A0A077ZGQ8_TRITR Loading...

Peptidase M24 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 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
1M91Very high96.7Very high109 Ų10994.6 Ų94.654%0.53754%0.538SS..  0-72.80-63.3-169.3-67.700109.1Y3 P112 H113M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 3.08Å; M1-Y3 VanDerWaalsContact O-N 3.11Å; M1-P112 HydrophobicContact CE-CG 4.39Å; M1-P112 HydrophobicContact SD-CG 3.97Å; M1-H113 HydrophobicContact CE-CB 4.33Å; M1-H113 HydrophobicContact SD-CB 3.69Å; M1-H113 PolarHBondContact SD-CD2 3.14Å
2H97Very high96.7Very high129 Ų12998.5 Ų98.560%0.59754%0.537SS*.  trans-87.462.2173.9-49.4139.2000112.6H5H2-H5 PolarHBondContact O-CD2 2.92Å
3Y97.2Very high96.7Very high110 Ų110104.6 Ų104.643%0.43156%0.56SS.*THydrogen-bonded Turntrans-67.9157.6169.9178.5-103.1000109.8M1 M8 N10 D11M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 3.08Å; M1-Y3 VanDerWaalsContact O-N 3.11Å; Y3-M8 HydrophobicContact CD2-CB 3.72Å; Y3-M8 HydrophobicContact CD2-CE 4.33Å; Y3-M8 HydrophobicContact CD2-CG 4.38Å; Y3-M8 HydrophobicContact CD2-SD 3.91Å; Y3-M8 HydrophobicContact CE2-CB 3.64Å; Y3-M8 HydrophobicContact CE2-CG 4.32Å; Y3-M8 HydrophobicContact CE2-SD 4.21Å; Y3-N10 WeakPolarHBondContact CD1-OD1 3.5Å; Y3-N10 HydrophobicContact CE1-CB 4.32Å; Y3-N10 WeakPolarHBondContact CE1-OD1 3.24Å; Y3-N10 WeakPolarHBondContact OH-CA 3.39Å; Y3-D11 PolarHBondContact OH-N 3.34Å
4G97.4Very high96.6Very high27 Ų27103.6 Ų103.628%0.27855%0.553SS.*THydrogen-bonded Turntrans99.60.3179.100000116.2M8 N10G4-M8 CarbonylContact C-O 3.05Å; G4-M8 WeakPolarHBondContact CA-O 3.18Å; G4-M8 PolarHBondContact N-O 3.16Å; G4-N10 WeakPolarHBondContact CA-ND2 3.22Å; G4-N10 WeakPolarHBondContact CA-OD1 3.45Å
5H97.6Very high96.5Very high96 Ų9699.9 Ų99.944%0.44454%0.543SS..SBendtrans-72.7171.2169.867.390.6000111.6H2 A7 M8 P9H2-H5 PolarHBondContact O-CD2 2.92Å; H5-A7 PolarHBondContact ND1-N 2.99Å; H5-A7 PolarHBondContact O-N 2.82Å; H5-M8 WeakPolarHBondContact NE2-CE 3.38Å; H5-M8 CarbonylContact O-C 3.56Å; H5-M8 WeakPolarHBondContact O-CA 3.19Å; H5-M8 PolarHBondContact O-N 3.14Å; H5-P9 WeakPolarHBondContact O-CA 3.27Å
6A97.3Very high96.1Very high100 Ų10099.7 Ų99.783%0.82656%0.559SS**THydrogen-bonded Turntrans-54.8-27.7-171.100000116.4
7A97.6Very high95.9Very high83 Ų8396.5 Ų96.569%0.68655%0.554SS**THydrogen-bonded Turntrans-90.9-5.6178.100000113.7H5H5-A7 PolarHBondContact ND1-N 2.99Å; H5-A7 PolarHBondContact O-N 2.82Å
8M95.9Very high95.9Very high86 Ų8692.8 Ų92.842%0.42453%0.532SS..SBendtrans-141.568.1173-74.1-165-70.300108.8Y3 G4 H5 N10Y3-M8 HydrophobicContact CD2-CB 3.72Å; Y3-M8 HydrophobicContact CD2-CE 4.33Å; Y3-M8 HydrophobicContact CD2-CG 4.38Å; Y3-M8 HydrophobicContact CD2-SD 3.91Å; Y3-M8 HydrophobicContact CE2-CB 3.64Å; Y3-M8 HydrophobicContact CE2-CG 4.32Å; Y3-M8 HydrophobicContact CE2-SD 4.21Å; G4-M8 CarbonylContact C-O 3.05Å; G4-M8 WeakPolarHBondContact CA-O 3.18Å; G4-M8 PolarHBondContact N-O 3.16Å; H5-M8 WeakPolarHBondContact NE2-CE 3.38Å; H5-M8 CarbonylContact O-C 3.56Å; H5-M8 WeakPolarHBondContact O-CA 3.19Å; H5-M8 PolarHBondContact O-N 3.14Å; M8-N10 PolarHBondContact O-N 2.81Å
9P97.6Very high96Very high69 Ų6989.4 Ų89.445%0.44851%0.511SS..  trans-84.238.9-155.936.4-39.1000114.5H5 D11H5-P9 WeakPolarHBondContact O-CA 3.27Å; P9-D11 VanDerWaalsContact C-N 3.34Å; P9-D11 HydrophobicContact CG-CB 4.23Å; P9-D11 PolarHBondContact O-N 3.22Å
10N97.5Very high96.1Very high109 Ų10985.6 Ų85.658%0.58349%0.491SS*.SBendtrans58.738.6-177.8-57.1-44.4000114.4Y3 G4 M8Y3-N10 WeakPolarHBondContact CD1-OD1 3.5Å; Y3-N10 HydrophobicContact CE1-CB 4.32Å; Y3-N10 WeakPolarHBondContact CE1-OD1 3.24Å; Y3-N10 WeakPolarHBondContact OH-CA 3.39Å; G4-N10 WeakPolarHBondContact CA-ND2 3.22Å; G4-N10 WeakPolarHBondContact CA-OD1 3.45Å; M8-N10 PolarHBondContact O-N 2.81Å
11D97.1Very high96.2Very high123 Ų12384.1 Ų84.166%0.65848%0.481SS*.  trans-100.80.1-172.760.6-16.4000114.5Y3 P9 Q13Y3-D11 PolarHBondContact OH-N 3.34Å; P9-D11 VanDerWaalsContact C-N 3.34Å; P9-D11 HydrophobicContact CG-CB 4.23Å; P9-D11 PolarHBondContact O-N 3.22Å; D11-Q13 PolarHBondContact O-N 3.37Å
12R96.8Very high96.5Very high141 Ų14181.7 Ų81.753%0.53247%0.469SS..PPolyproline II helixtrans-74.1122.8176.3-177.3179.1174.2-806.1110.5L14 D18R12-L14 PolarHBondContact O-N 3.1Å; R12-D18 IonicContact CZ-OD1 3.89Å; R12-D18 IonicContact CZ-OD2 3.33Å; R12-D18 IonicContact NH1-OD1 3.87Å; R12-D18 IonicContact NH1-OD2 2.7Å; R12-D18 PolarHBondContact NH1-OD2 3.38Å; R12-D18 IonicContact NH2-OD1 2.98Å; R12-D18 PolarHBondContact NH2-OD1 3.04Å; R12-D18 IonicContact NH2-OD2 3.03Å; R12-D18 PolarHBondContact NH2-OD2 2.91Å
13Q97Very high96.6Very high178 Ų17878.2 Ų78.283%0.83246%0.455SS*.PPolyproline II helixtrans-64126168.3-172.6171.513.600110.6D11D11-Q13 PolarHBondContact O-N 3.37Å
14L95.8Very high96.7Very high90 Ų9079.4 Ų79.447%0.47147%0.466SS..PPolyproline II helixtrans-72.7140.5174.8-62.5176.9000110.7R12 V41R12-L14 PolarHBondContact O-N 3.1Å; L14-V41 HydrophobicContact CB-CG1 4.08Å; L14-V41 HydrophobicContact CB-CG2 4.12Å; L14-V41 HydrophobicContact CD1-CG2 4.12Å; L14-V41 HydrophobicContact CD2-CG2 4.31Å; L14-V41 HydrophobicContact CG-CG2 4.42Å
15A94.3Very high96.7Very high48 Ų4880.5 Ų80.540%0.39748%0.478SS..  trans-122.1157.2-179.300000111.7G17 D18A15-G17 PolarHBondContact O-N 3.46Å; A15-D18 PolarHBondContact N-OD2 3.4Å; A15-D18 VanDerWaalsContact O-CB 3.27Å; A15-D18 WeakPolarHBondContact O-CB 3.2Å; A15-D18 PolarHBondContact O-N 2.9Å; A15-D18 VanDerWaalsContact O-N 3.1Å
16A91Very high96.6Very high97 Ų9779.2 Ų79.280%0.80248%0.484SS*.THydrogen-bonded Turntrans-58.9133.9171.400000110.3
17G91.8Very high96.6Very high45 Ų4580.9 Ų80.946%0.46447%0.468SS..THydrogen-bonded Turntrans96.7-18.2-174.100000114A15 Q49A15-G17 PolarHBondContact O-N 3.46Å; G17-Q49 PolarHBondContact O-NE2 2.88Å
18D96.2Very high96.6Very high31 Ų3185.2 Ų85.217%0.16647%0.472CS..PPolyproline II helixtrans-67.6148.9173.9-70.1-24.2000111.7R12 A15 V41R12-D18 IonicContact CZ-OD1 3.89Å; R12-D18 IonicContact CZ-OD2 3.33Å; R12-D18 IonicContact NH1-OD1 3.87Å; R12-D18 IonicContact NH1-OD2 2.7Å; R12-D18 PolarHBondContact NH1-OD2 3.38Å; R12-D18 IonicContact NH2-OD1 2.98Å; R12-D18 PolarHBondContact NH2-OD1 3.04Å; R12-D18 IonicContact NH2-OD2 3.03Å; R12-D18 PolarHBondContact NH2-OD2 2.91Å; A15-D18 PolarHBondContact N-OD2 3.4Å; A15-D18 VanDerWaalsContact O-CB 3.27Å; A15-D18 WeakPolarHBondContact O-CB 3.2Å; A15-D18 PolarHBondContact O-N 2.9Å; A15-D18 VanDerWaalsContact O-N 3.1Å; D18-V41 HydrophobicContact CB-CB 4.33Å; D18-V41 HydrophobicContact CB-CG2 3.76Å; D18-V41 PolarHBondContact O-N 2.97Å
19L97.7Very high96.7Very high27 Ų2786 Ų8614%0.14149%0.486CS..EExtended strand (participates in β ladder)trans-87.6136.2154-76.8173.8000109.2T38 P40 F45 Q49 F193 V196L19-T38 HydrophobicContact CB-CG2 4.4Å; L19-T38 HydrophobicContact CD1-CG2 4.46Å; L19-T38 HydrophobicContact CD2-CG2 4.22Å; L19-P40 HydrophobicContact CD2-CB 4.41Å; L19-F45 HydrophobicContact CD2-CE1 4.39Å; L19-Q49 HydrophobicContact CD1-CG 4.07Å; L19-Q49 HydrophobicContact CD2-CB 4.24Å; L19-Q49 HydrophobicContact CD2-CG 3.97Å; L19-Q49 HydrophobicContact CG-CG 3.92Å; L19-F193 HydrophobicContact CD1-CD1 4.2Å; L19-F193 HydrophobicContact CD1-CE1 3.49Å; L19-F193 VanDerWaalsContact CD1-CE1 3.49Å; L19-F193 HydrophobicContact CD1-CE2 4.06Å; L19-F193 HydrophobicContact CD1-CZ 3.39Å; L19-V196 HydrophobicContact CD1-CG2 3.97Å
20C98Very high96.6Very high14 Ų1484.1 Ų84.110%0.09548%0.48CS..EExtended strand (participates in β ladder)trans-97.7119.9166.8-164.60000108.2T38 F39 V41C20-T38 CarbonylContact O-C 3.52Å; C20-T38 VanDerWaalsContact O-CA 3.23Å; C20-T38 WeakPolarHBondContact O-CA 3.37Å; C20-F39 HydrophobicContact CB-CD2 4.02Å; C20-F39 HydrophobicContact CB-CE2 3.71Å; C20-F39 HydrophobicContact CB-CZ 4.03Å; C20-F39 PolarHBondContact N-O 3.33Å; C20-F39 PolarHBondContact O-N 3.06Å; C20-V41 HydrophobicContact CB-CG2 3.94Å
21L98.7Very high96.7Very high54 Ų5485 Ų8528%0.28348%0.479SS..EExtended strand (participates in β ladder)trans-110111.6169.6-176.5166.1000106.6D23 T36 T38 Y163 R197L21-D23 HydrophobicContact CD2-CB 4.29Å; L21-T36 HydrophobicContact CD2-CG2 3.62Å; L21-T36 HydrophobicContact CG-CG2 3.94Å; L21-T38 HydrophobicContact CB-CG2 4.47Å; L21-Y163 HydrophobicContact CD1-CE1 3.98Å; L21-R197 HydrophobicContact CD1-CB 3.82Å; L21-R197 HydrophobicContact CG-CB 4.38Å
22I98.1Very high96.7Very high58 Ų5879.9 Ų79.930%0.29745%0.453SS..EExtended strand (participates in β ladder)trans-112.2116.4179.4-77.6170.2000107.9M24 T36 S37 F39I22-M24 HydrophobicContact CG2-CB 4.22Å; I22-M24 HydrophobicContact CG2-CE 3.18Å; I22-M24 HydrophobicContact CG2-CG 3.74Å; I22-M24 HydrophobicContact CG2-SD 4.06Å; I22-T36 CarbonylContact O-C 3.45Å; I22-T36 VanDerWaalsContact O-CA 3.22Å; I22-T36 WeakPolarHBondContact O-CA 3.29Å; I22-T36 WeakPolarHBondContact O-CG2 3.31Å; I22-S37 PolarHBondContact N-O 3.48Å; I22-S37 PolarHBondContact O-N 3.16Å; I22-F39 HydrophobicContact CD1-CE1 4.09Å; I22-F39 HydrophobicContact CD1-CZ 3.77Å
23D98.7Very high96.8Very high57 Ų5775.1 Ų75.131%0.30544%0.441SS..EExtended strand (participates in β ladder)trans-112.9106.1173.3178-20.1000106.9L21 T36 R197L21-D23 HydrophobicContact CD2-CB 4.29Å; D23-T36 HydrophobicContact CB-CG2 4.05Å; D23-T36 VanDerWaalsContact CB-OG1 3.23Å; D23-T36 WeakPolarHBondContact CB-OG1 3.29Å; D23-T36 PolarHBondContact OD2-OG1 3.48Å; D23-R197 IonicContact OD2-CZ 2.6Å; D23-R197 IonicContact OD2-NE 3.21Å; D23-R197 IonicContact OD2-NH2 3.58Å; D23-R197 PolarHBondContact OD2-NH2 2.97Å
24M98.4Very high96.9Very high134 Ų13467.3 Ų67.366%0.6641%0.405SS*.EExtended strand (participates in β ladder)trans-146.5132-175.1-68.6-165.9-63.700110.8I22 V35I22-M24 HydrophobicContact CG2-CB 4.22Å; I22-M24 HydrophobicContact CG2-CE 3.18Å; I22-M24 HydrophobicContact CG2-CG 3.74Å; I22-M24 HydrophobicContact CG2-SD 4.06Å; M24-V35 PolarHBondContact N-O 2.78Å; M24-V35 PolarHBondContact O-N 3.1Å; M24-V35 VanDerWaalsContact O-O 3.14Å
25G97.4Very high97Very high50 Ų5064.3 Ų64.352%0.51539%0.391SS..  trans-119.6162.9175.100000112.5S33G25-S33 WeakPolarHBondContact CA-O 3.36Å
26A96.3Very high97.2Very high69 Ų6962 Ų6257%0.5737%0.372SS*.  trans-116.8162.1169.400000109.9S33A26-S33 PolarHBondContact N-OG 3.1Å; A26-S33 PolarHBondContact O-N 3.32Å; A26-S33 PolarHBondContact O-OG 3.09Å
27R97.4Very high97.6Very high135 Ų13558.8 Ų58.851%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-121.7126.5170-176.6179-71.7-99.7-0.2109.5G30 F31 I121R27-G30 PolarHBondContact NH1-O 3.31Å; R27-F31 CarbonylContact C-O 3.54Å; R27-F31 VanDerWaalsContact CA-O 3.23Å; R27-F31 WeakPolarHBondContact CA-O 3.49Å; R27-F31 WeakPolarHBondContact CG-O 3.23Å; R27-I121 PolarHBondContact NH1-O 3.4Å; R27-I121 PolarHBondContact NH2-O 2.86Å
28F97.6Very high97.9Very high175 Ų17556.7 Ų56.777%0.76832%0.321SS*.EExtended strand (participates in β ladder)trans-130.3128.2176.2-178.1-101.6000110.5G30 F31F28-G30 PolarHBondContact O-N 3.35Å; F28-G30 VanDerWaalsContact O-N 3.08Å; F28-F31 PolarHBondContact N-O 3.13Å; F28-F31 PolarHBondContact O-N 3.03Å
29S97.3Very high98Very high101 Ų10157.7 Ų57.771%0.70632%0.324SS*.THydrogen-bonded Turntrans50.333.8-177.4-168.20000114.1F31S29-F31 VanDerWaalsContact C-N 3.34Å; S29-F31 WeakPolarHBondContact O-CD2 3.31Å; S29-F31 PolarHBondContact O-N 3.4Å
30G96.3Very high98Very high31 Ų3156.4 Ų56.432%0.3232%0.318SS..THydrogen-bonded Turntrans86.3-10.5-17800000115.5R27 F28R27-G30 PolarHBondContact NH1-O 3.31Å; F28-G30 PolarHBondContact O-N 3.35Å; F28-G30 VanDerWaalsContact O-N 3.08Å
31F98Very high97.9Very high128 Ų12857.9 Ų57.956%0.56133%0.326SS*.EExtended strand (participates in β ladder)trans-91.1137.3177.6-63.1-86000111.5R27 F28 S29 I121R27-F31 CarbonylContact C-O 3.54Å; R27-F31 VanDerWaalsContact CA-O 3.23Å; R27-F31 WeakPolarHBondContact CA-O 3.49Å; R27-F31 WeakPolarHBondContact CG-O 3.23Å; F28-F31 PolarHBondContact N-O 3.13Å; F28-F31 PolarHBondContact O-N 3.03Å; S29-F31 VanDerWaalsContact C-N 3.34Å; S29-F31 WeakPolarHBondContact O-CD2 3.31Å; S29-F31 PolarHBondContact O-N 3.4Å; F31-I121 HydrophobicContact CD1-CG1 4.47Å; F31-I121 HydrophobicContact CE1-CG1 4.39Å
32A98.4Very high97.7Very high15 Ų1558.4 Ų58.412%0.12434%0.335CS..EExtended strand (participates in β ladder)trans-91.7153.5178.700000112.2G120 V123A32-G120 PolarHBondContact N-O 2.98Å; A32-V123 HydrophobicContact CB-CG2 3.75Å
33S98.3Very high97.6Very high40 Ų4055.9 Ų55.928%0.2832%0.323SS..  trans-119.8159.4158.473.60000109G25 A26G25-S33 WeakPolarHBondContact CA-O 3.36Å; A26-S33 PolarHBondContact N-OG 3.1Å; A26-S33 PolarHBondContact O-N 3.32Å; A26-S33 PolarHBondContact O-OG 3.09Å
34D98.8Very high97.5Very high14 Ų1456.5 Ų56.58%0.07533%0.329CS..  trans-147.8108.6-179.9-157.96.9000110H117 M119 V123 T157 N201D34-H117 IonicContact OD2-CE1 2.68Å; D34-H117 IonicContact OD2-NE2 3.52Å; D34-M119 HydrophobicContact CB-SD 3.72Å; D34-V123 HydrophobicContact CB-CG1 4.12Å; D34-V123 WeakPolarHBondContact OD2-CG1 3.18Å; D34-T157 HydrophobicContact CB-CG2 3.96Å; D34-N201 PolarHBondContact N-OD1 3.05Å; D34-N201 VanDerWaalsContact N-OD1 3.15Å; D34-N201 VanDerWaalsContact O-CG 3.32Å; D34-N201 PolarHBondContact O-ND2 2.7Å; D34-N201 PolarHBondContact O-OD1 2.72Å
35V98.7Very high97.4Very high27 Ų2750.4 Ų50.416%0.16430%0.299CS..EExtended strand (participates in β ladder)trans-136.7124.4-170.4179.70000109.8M24 T213 V215M24-V35 PolarHBondContact N-O 2.78Å; M24-V35 PolarHBondContact O-N 3.1Å; M24-V35 VanDerWaalsContact O-O 3.14Å; V35-T213 HydrophobicContact CG1-CG2 3.73Å; V35-T213 HydrophobicContact CG2-CG2 3.92Å; V35-V215 HydrophobicContact CG1-CG1 4.39Å
36T98.9Very high97.4Very high0 Ų051 Ų510%029%0.292CS..EExtended strand (participates in β ladder)trans-109.4130.5172.3-56.70000111.5L21 I22 D23 R197 E199 R217L21-T36 HydrophobicContact CD2-CG2 3.62Å; L21-T36 HydrophobicContact CG-CG2 3.94Å; I22-T36 CarbonylContact O-C 3.45Å; I22-T36 VanDerWaalsContact O-CA 3.22Å; I22-T36 WeakPolarHBondContact O-CA 3.29Å; I22-T36 WeakPolarHBondContact O-CG2 3.31Å; D23-T36 HydrophobicContact CB-CG2 4.05Å; D23-T36 VanDerWaalsContact CB-OG1 3.23Å; D23-T36 WeakPolarHBondContact CB-OG1 3.29Å; D23-T36 PolarHBondContact OD2-OG1 3.48Å; T36-R197 HydrophobicContact CG2-CB 3.8Å; T36-R197 HydrophobicContact CG2-CG 3.9Å; T36-R197 WeakPolarHBondContact CG2-O 3.48Å; T36-R197 PolarHBondContact OG1-NE 3.31Å; T36-E199 WeakPolarHBondContact CB-OE2 3.37Å; T36-E199 PolarHBondContact N-OE2 2.93Å; T36-E199 PolarHBondContact O-N 2.98Å; T36-E199 PolarHBondContact OG1-OE2 3.29Å; T36-R217 PolarHBondContact O-NH1 3.42Å
37S98.5Very high97.4Very high29 Ų2953.1 Ų53.120%0.20329%0.293CS..EExtended strand (participates in β ladder)trans-122.2137.1170-650000110.3I22I22-S37 PolarHBondContact N-O 3.48Å; I22-S37 PolarHBondContact O-N 3.16Å
38T98.7Very high97.4Very high1 Ų149.5 Ų49.51%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-119.9132.7173.2-56.50000110.6L19 C20 L21 Y53 V196 R197L19-T38 HydrophobicContact CB-CG2 4.4Å; L19-T38 HydrophobicContact CD1-CG2 4.46Å; L19-T38 HydrophobicContact CD2-CG2 4.22Å; C20-T38 CarbonylContact O-C 3.52Å; C20-T38 VanDerWaalsContact O-CA 3.23Å; C20-T38 WeakPolarHBondContact O-CA 3.37Å; L21-T38 HydrophobicContact CB-CG2 4.47Å; T38-Y53 VanDerWaalsContact O-CE2 3.27Å; T38-Y53 WeakPolarHBondContact O-CE2 3.47Å; T38-V196 HydrophobicContact CG2-CB 4.23Å; T38-V196 HydrophobicContact CG2-CG1 4.16Å; T38-V196 HydrophobicContact CG2-CG2 3.91Å; T38-R197 PolarHBondContact OG1-N 3.44Å; T38-R197 VanDerWaalsContact OG1-N 3.07Å; T38-R197 PolarHBondContact OG1-O 2.98Å
39F98Very high97.4Very high52 Ų5241.6 Ų41.623%0.22825%0.247CC..EExtended strand (participates in β ladder)trans-155.3155-179.153.5-94.4000112.3C20 I22 I222 M226C20-F39 HydrophobicContact CB-CD2 4.02Å; C20-F39 HydrophobicContact CB-CE2 3.71Å; C20-F39 HydrophobicContact CB-CZ 4.03Å; C20-F39 PolarHBondContact N-O 3.33Å; C20-F39 PolarHBondContact O-N 3.06Å; I22-F39 HydrophobicContact CD1-CE1 4.09Å; I22-F39 HydrophobicContact CD1-CZ 3.77Å; F39-I222 HydrophobicContact CB-CG2 3.6Å; F39-M226 HydrophobicContact CB-SD 3.83Å; F39-M226 HydrophobicContact CD2-CE 3.65Å; F39-M226 HydrophobicContact CD2-SD 3.53Å; F39-M226 VanDerWaalsContact CD2-SD 3.53Å; F39-M226 HydrophobicContact CE2-CE 4.03Å; F39-M226 HydrophobicContact CE2-SD 4.38Å; F39-M226 HydrophobicContact CG-SD 3.96Å
40P97.5Very high97.5Very high0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans-72.9133.1178.230.2-36.2000110.6L19 S42 G43 T44 F45 M226L19-P40 HydrophobicContact CD2-CB 4.41Å; P40-S42 PolarHBondContact O-N 2.9Å; P40-S42 VanDerWaalsContact O-N 3.16Å; P40-G43 PolarHBondContact O-N 3.38Å; P40-T44 WeakPolarHBondContact CB-O 3.11Å; P40-T44 VanDerWaalsContact CG-C 3.49Å; P40-F45 HydrophobicContact CG-CB 4.49Å; P40-F45 HydrophobicContact CG-CD1 4.31Å; P40-F45 HydrophobicContact CG-CD2 3.63Å; P40-F45 HydrophobicContact CG-CE2 3.89Å; P40-F45 HydrophobicContact CG-CG 3.86Å; P40-F45 HydrophobicContact CG-CZ 4.34Å; P40-M226 WeakPolarHBondContact O-CE 3.41Å
41V96.2Very high97.6Very high45 Ų4540.3 Ų40.327%0.27322%0.224SC..THydrogen-bonded Turntrans-59-31.4178.2173.50000111.6L14 D18 C20 G43L14-V41 HydrophobicContact CB-CG1 4.08Å; L14-V41 HydrophobicContact CB-CG2 4.12Å; L14-V41 HydrophobicContact CD1-CG2 4.12Å; L14-V41 HydrophobicContact CD2-CG2 4.31Å; L14-V41 HydrophobicContact CG-CG2 4.42Å; D18-V41 HydrophobicContact CB-CB 4.33Å; D18-V41 HydrophobicContact CB-CG2 3.76Å; D18-V41 PolarHBondContact O-N 2.97Å; C20-V41 HydrophobicContact CB-CG2 3.94Å; V41-G43 PolarHBondContact O-N 2.96Å
42S94.9Very high97.6Very high66 Ų6634.3 Ų34.346%0.46220%0.197SC..THydrogen-bonded Turntrans-73-8.5175.859.70000114.6P40 T44P40-S42 PolarHBondContact O-N 2.9Å; P40-S42 VanDerWaalsContact O-N 3.16Å; S42-T44 PolarHBondContact O-N 3.21Å; S42-T44 PolarHBondContact OG-N 3.22Å; S42-T44 PolarHBondContact OG-O 3.19Å; S42-T44 VanDerWaalsContact OG-O 3.06Å
43G95.5Very high97.7Very high5 Ų533.6 Ų33.65%0.05219%0.191CC..SBendtrans74.72.9-173.800000115.1P40 V41 Q223P40-G43 PolarHBondContact O-N 3.38Å; V41-G43 PolarHBondContact O-N 2.96Å; G43-Q223 WeakPolarHBondContact O-CG 3.25Å
44T95.8Very high97.7Very high70 Ų7036.3 Ų36.343%0.42920%0.198SC..SBendtrans-136.7127.8175.9-58.20000110.2P40 S42P40-T44 WeakPolarHBondContact CB-O 3.11Å; P40-T44 VanDerWaalsContact CG-C 3.49Å; S42-T44 PolarHBondContact O-N 3.21Å; S42-T44 PolarHBondContact OG-N 3.22Å; S42-T44 PolarHBondContact OG-O 3.19Å; S42-T44 VanDerWaalsContact OG-O 3.06Å
45F97.7Very high97.7Very high6 Ų635.7 Ų35.73%0.02620%0.195CC..  trans-76.7132.4-178.1-72.4-104.4000111.1L19 P40 Q49 Q50 Y53 I219 I222 Q223L19-F45 HydrophobicContact CD2-CE1 4.39Å; P40-F45 HydrophobicContact CG-CB 4.49Å; P40-F45 HydrophobicContact CG-CD1 4.31Å; P40-F45 HydrophobicContact CG-CD2 3.63Å; P40-F45 HydrophobicContact CG-CE2 3.89Å; P40-F45 HydrophobicContact CG-CG 3.86Å; P40-F45 HydrophobicContact CG-CZ 4.34Å; F45-Q49 HydrophobicContact CB-CB 4.3Å; F45-Q49 HydrophobicContact CD1-CB 3.84Å; F45-Q50 HydrophobicContact CB-CG 3.39Å; F45-Q50 HydrophobicContact CG-CG 4.22Å; F45-Q50 PolarHBondContact O-NE2 3.43Å; F45-Q50 VanDerWaalsContact O-NE2 3.13Å; F45-Y53 HydrophobicContact CE1-CD1 4.33Å; F45-Y53 AromaticContact CE1-CD2 3.64Å; F45-Y53 HydrophobicContact CE1-CD2 3.64Å; F45-Y53 HydrophobicContact CE1-CE2 4.3Å; F45-Y53 AromaticContact CE1-CG 3.68Å; F45-Y53 HydrophobicContact CE1-CG 3.68Å; F45-Y53 HydrophobicContact CZ-CD1 4.43Å; F45-Y53 AromaticContact CZ-CD2 3.93Å; F45-Y53 HydrophobicContact CZ-CD2 3.93Å; F45-Y53 HydrophobicContact CZ-CE2 4.13Å; F45-Y53 HydrophobicContact CZ-CG 4.11Å; F45-I219 HydrophobicContact CD2-CB 4.5Å; F45-I219 HydrophobicContact CD2-CG1 4.3Å; F45-I219 HydrophobicContact CD2-CG2 3.88Å; F45-I219 HydrophobicContact CE2-CG1 4.26Å; F45-I219 HydrophobicContact CE2-CG2 4.34Å; F45-I219 HydrophobicContact CG-CG2 4.45Å; F45-I219 HydrophobicContact CZ-CG1 4.47Å; F45-I222 HydrophobicContact CE2-CB 4.17Å; F45-I222 HydrophobicContact CE2-CD1 4.46Å; F45-I222 HydrophobicContact CE2-CG2 3.79Å; F45-I222 HydrophobicContact CZ-CD1 4.16Å; F45-I222 HydrophobicContact CZ-CG2 4.23Å; F45-Q223 HydrophobicContact CD2-CG 3.99Å; F45-Q223 HydrophobicContact CE2-CG 4.41Å
46T97.1Very high97.7Very high61 Ų6134.4 Ų34.437%0.37419%0.187SC..  trans-67.8165.4164.6740000111E48 Q49 Q50T46-E48 PolarHBondContact O-N 3.03Å; T46-Q49 PolarHBondContact O-N 3.01Å; T46-Q49 VanDerWaalsContact OG1-CG 3.23Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.44Å; T46-Q49 PolarHBondContact OG1-N 3.43Å; T46-Q50 VanDerWaalsContact O-CG 3.31Å; T46-Q50 WeakPolarHBondContact O-CG 3.1Å; T46-Q50 PolarHBondContact O-N 2.89Å
47L96.8Very high97.7Very high114 Ų11435.4 Ų35.460%0.59719%0.192SC*.Hα-helixtrans-57.7-48.2177.9179.860.8000111.5Q49 Q50 L51L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 3.45Å; L47-Q50 PolarHBondContact O-N 3.44Å; L47-L51 HydrophobicContact CD1-CD1 4.48Å; L47-L51 HydrophobicContact CD1-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.22Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.19Å; L47-L51 PolarHBondContact O-N 2.83Å
48E96.9Very high97.7Very high59 Ų5936.8 Ų36.828%0.27620%0.196SC..Hα-helixtrans-57.7-43176.6-7084175.800111.9T46 L51 I52 R189 Y190 F193T46-E48 PolarHBondContact O-N 3.03Å; E48-L51 PolarHBondContact O-N 3.2Å; E48-I52 PolarHBondContact O-N 3.33Å; E48-R189 IonicContact OE1-CZ 3.48Å; E48-R189 IonicContact OE1-NH2 3.78Å; E48-R189 PolarHBondContact OE1-NH2 3.3Å; E48-Y190 HydrophobicContact CB-CE1 3.84Å; E48-Y190 HydrophobicContact CG-CE1 4.11Å; E48-F193 HydrophobicContact CB-CE2 4.47Å
49Q98.2Very high97.7Very high9 Ų936.8 Ų36.84%0.04220%0.195CC..Hα-helixtrans-64.5-42.6177.5-67.5169.6-13.500111.9G17 L19 F45 T46 L47 L51 Y53 F193G17-Q49 PolarHBondContact O-NE2 2.88Å; L19-Q49 HydrophobicContact CD1-CG 4.07Å; L19-Q49 HydrophobicContact CD2-CB 4.24Å; L19-Q49 HydrophobicContact CD2-CG 3.97Å; L19-Q49 HydrophobicContact CG-CG 3.92Å; F45-Q49 HydrophobicContact CB-CB 4.3Å; F45-Q49 HydrophobicContact CD1-CB 3.84Å; T46-Q49 PolarHBondContact O-N 3.01Å; T46-Q49 VanDerWaalsContact OG1-CG 3.23Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.44Å; T46-Q49 PolarHBondContact OG1-N 3.43Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 3.45Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-L51 PolarHBondContact O-N 2.93Å; Q49-Y53 WeakPolarHBondContact O-CB 3.45Å; Q49-Y53 PolarHBondContact O-N 3.34Å; Q49-F193 HydrophobicContact CB-CE2 4.31Å; Q49-F193 HydrophobicContact CG-CE2 3.89Å; Q49-F193 HydrophobicContact CG-CZ 4.37Å
50Q98.4Very high97.8Very high52 Ų5234.5 Ų34.524%0.24319%0.186CC..Hα-helixtrans-61.6-41.1176.6-67.8-179.641.300111.9F45 T46 L47 K54 I219F45-Q50 HydrophobicContact CB-CG 3.39Å; F45-Q50 HydrophobicContact CG-CG 4.22Å; F45-Q50 PolarHBondContact O-NE2 3.43Å; F45-Q50 VanDerWaalsContact O-NE2 3.13Å; T46-Q50 VanDerWaalsContact O-CG 3.31Å; T46-Q50 WeakPolarHBondContact O-CG 3.1Å; T46-Q50 PolarHBondContact O-N 2.89Å; L47-Q50 PolarHBondContact O-N 3.44Å; Q50-K54 VanDerWaalsContact O-CB 3.29Å; Q50-K54 WeakPolarHBondContact O-CB 2.97Å; Q50-K54 WeakPolarHBondContact O-CG 3.4Å; Q50-K54 PolarHBondContact O-N 3.13Å; Q50-I219 HydrophobicContact CB-CD1 3.95Å; Q50-I219 HydrophobicContact CG-CD1 3.85Å
51L98.4Very high97.8Very high54 Ų5439.5 Ų39.528%0.28321%0.209SC..Hα-helixtrans-61.9-49.9-178.2-71.2170.3000111.3L47 E48 Q49 A55 I91L47-L51 HydrophobicContact CD1-CD1 4.48Å; L47-L51 HydrophobicContact CD1-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.22Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.19Å; L47-L51 PolarHBondContact O-N 2.83Å; E48-L51 PolarHBondContact O-N 3.2Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-L51 PolarHBondContact O-N 2.93Å; L51-A55 PolarHBondContact O-N 3.22Å; L51-I91 HydrophobicContact CB-CG2 4.18Å; L51-I91 HydrophobicContact CD1-CB 4.48Å; L51-I91 HydrophobicContact CD1-CG2 3.9Å; L51-I91 HydrophobicContact CD2-CG2 3.83Å; L51-I91 HydrophobicContact CG-CG2 4.18Å
52I98.7Very high98Very high1 Ų141 Ų411%0.00521%0.214CC..Hα-helixtrans-71-40179.3-54.5-58.4000111.2E48 K54 A55 V56 L88 I91 C162 F164 Y190 F193 V196E48-I52 PolarHBondContact O-N 3.33Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 3.29Å; I52-A55 WeakPolarHBondContact O-CB 3.23Å; I52-A55 PolarHBondContact O-N 2.93Å; I52-V56 PolarHBondContact O-N 3.2Å; I52-V56 VanDerWaalsContact O-N 3.15Å; I52-L88 HydrophobicContact CD1-CD2 3.76Å; I52-I91 HydrophobicContact CD1-CD1 3.72Å; I52-C162 HydrophobicContact CG2-CB 3.81Å; I52-F164 HydrophobicContact CD1-CE2 4Å; I52-F164 HydrophobicContact CD1-CZ 3.83Å; I52-F164 HydrophobicContact CG1-CE2 4.06Å; I52-F164 HydrophobicContact CG1-CZ 4.34Å; I52-F164 HydrophobicContact CG2-CE2 4.43Å; I52-Y190 HydrophobicContact CD1-CD1 4.41Å; I52-Y190 HydrophobicContact CD1-CE1 4Å; I52-Y190 HydrophobicContact CG1-CD1 4.2Å; I52-Y190 HydrophobicContact CG1-CE1 3.81Å; I52-F193 HydrophobicContact CB-CE1 3.82Å; I52-F193 HydrophobicContact CB-CE2 4.37Å; I52-F193 HydrophobicContact CB-CZ 3.52Å; I52-F193 HydrophobicContact CG1-CE1 3.98Å; I52-F193 HydrophobicContact CG1-CE2 4.02Å; I52-F193 HydrophobicContact CG1-CZ 3.62Å; I52-F193 HydrophobicContact CG2-CE1 3.69Å; I52-F193 HydrophobicContact CG2-CZ 3.95Å; I52-V196 HydrophobicContact CG2-CB 4.42Å; I52-V196 HydrophobicContact CG2-CG2 4.06Å
53Y98.9Very high98.1Very high1 Ų137.8 Ų37.80%0.00419%0.192CC..Hα-helixtrans-60.3-44.2178-174.3-87.1000111.8T38 F45 Q49 A55 V56 L57 V196 I198 R217 I219 I222T38-Y53 VanDerWaalsContact O-CE2 3.27Å; T38-Y53 WeakPolarHBondContact O-CE2 3.47Å; F45-Y53 HydrophobicContact CE1-CD1 4.33Å; F45-Y53 AromaticContact CE1-CD2 3.64Å; F45-Y53 HydrophobicContact CE1-CD2 3.64Å; F45-Y53 HydrophobicContact CE1-CE2 4.3Å; F45-Y53 AromaticContact CE1-CG 3.68Å; F45-Y53 HydrophobicContact CE1-CG 3.68Å; F45-Y53 HydrophobicContact CZ-CD1 4.43Å; F45-Y53 AromaticContact CZ-CD2 3.93Å; F45-Y53 HydrophobicContact CZ-CD2 3.93Å; F45-Y53 HydrophobicContact CZ-CE2 4.13Å; F45-Y53 HydrophobicContact CZ-CG 4.11Å; Q49-Y53 WeakPolarHBondContact O-CB 3.45Å; Q49-Y53 PolarHBondContact O-N 3.34Å; Y53-A55 VanDerWaalsContact C-N 3.33Å; Y53-A55 PolarHBondContact O-N 3.18Å; Y53-V56 PolarHBondContact O-N 3.35Å; Y53-L57 HydrophobicContact CE1-CB 4.36Å; Y53-L57 HydrophobicContact CE1-CD2 4.18Å; Y53-L57 WeakPolarHBondContact O-CB 3.27Å; Y53-L57 PolarHBondContact O-N 2.89Å; Y53-V196 HydrophobicContact CD2-CG1 3.82Å; Y53-V196 HydrophobicContact CD2-CG2 4.41Å; Y53-V196 HydrophobicContact CE2-CG1 4.36Å; Y53-I198 HydrophobicContact CD2-CD1 4.38Å; Y53-I198 HydrophobicContact CE1-CD1 4.15Å; Y53-I198 HydrophobicContact CE2-CD1 3.78Å; Y53-I198 HydrophobicContact CE2-CG1 4.18Å; Y53-R217 WeakPolarHBondContact CE1-O 3.46Å; Y53-R217 PolarHBondContact OH-O 3.39Å; Y53-I219 HydrophobicContact CD1-CD1 4.28Å; Y53-I219 HydrophobicContact CD1-CG1 3.83Å; Y53-I219 HydrophobicContact CE1-CG1 4.2Å; Y53-I222 HydrophobicContact CE1-CD1 4.29Å; Y53-I222 HydrophobicContact CE2-CD1 4.03Å; Y53-I222 WeakPolarHBondContact OH-CD1 3.22Å
54K98.8Very high98.3Very high96 Ų9638.4 Ų38.442%0.41719%0.194SC..Hα-helixtrans-62.1-38.4176-75.7173.3-176.7178.20112.4Q50 I52 V56 L57 E58 I219Q50-K54 VanDerWaalsContact O-CB 3.29Å; Q50-K54 WeakPolarHBondContact O-CB 2.97Å; Q50-K54 WeakPolarHBondContact O-CG 3.4Å; Q50-K54 PolarHBondContact O-N 3.13Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 3.29Å; K54-V56 PolarHBondContact O-N 3.09Å; K54-L57 PolarHBondContact O-N 2.64Å; K54-E58 PolarHBondContact O-N 3.45Å; K54-I219 HydrophobicContact CD-CD1 4.22Å; K54-I219 HydrophobicContact CG-CD1 3.87Å
55A98.8Very high98.4Very high1 Ų138.7 Ų38.71%0.00820%0.203CC..Hα-helixtrans-59.9-46.4176.400000111.9L51 I52 Y53 A59 H87L51-A55 PolarHBondContact O-N 3.22Å; I52-A55 WeakPolarHBondContact O-CB 3.23Å; I52-A55 PolarHBondContact O-N 2.93Å; Y53-A55 VanDerWaalsContact C-N 3.33Å; Y53-A55 PolarHBondContact O-N 3.18Å; A55-A59 PolarHBondContact O-N 3.28Å; A55-A59 VanDerWaalsContact O-N 3.1Å; A55-H87 HydrophobicContact CB-CB 3.39Å; A55-H87 VanDerWaalsContact CB-CG 3.45Å
56V98.9Very high98.5Very high0 Ų041.5 Ų41.50%022%0.219CC..Hα-helixtrans-70.6-37.9179.1-179.30000111.4I52 Y53 K54 A59 N60 P160 C162 V196 I198I52-V56 PolarHBondContact O-N 3.2Å; I52-V56 VanDerWaalsContact O-N 3.15Å; Y53-V56 PolarHBondContact O-N 3.35Å; K54-V56 PolarHBondContact O-N 3.09Å; V56-A59 PolarHBondContact O-N 3.34Å; V56-N60 WeakPolarHBondContact O-CB 3.48Å; V56-N60 PolarHBondContact O-N 3.36Å; V56-P160 HydrophobicContact CG1-CG 4.37Å; V56-P160 WeakPolarHBondContact CG1-O 3.27Å; V56-C162 HydrophobicContact CG2-CB 3.51Å; V56-V196 HydrophobicContact CB-CB 4.42Å; V56-V196 HydrophobicContact CB-CG1 3.81Å; V56-V196 HydrophobicContact CG1-CG1 3.98Å; V56-V196 HydrophobicContact CG2-CB 3.97Å; V56-V196 HydrophobicContact CG2-CG1 3.92Å; V56-I198 HydrophobicContact CB-CD1 4.37Å; V56-I198 HydrophobicContact CG1-CB 4.06Å; V56-I198 HydrophobicContact CG1-CD1 4.1Å; V56-I198 HydrophobicContact CG1-CG1 3.98Å
57L98.9Very high98.6Very high21 Ų2138.7 Ų38.711%0.1120%0.202CC..Hα-helixtrans-63.1-45.6176.5-177.963.7000111.7Y53 K54 A59 N60 Q61 I198 R217Y53-L57 HydrophobicContact CE1-CB 4.36Å; Y53-L57 HydrophobicContact CE1-CD2 4.18Å; Y53-L57 WeakPolarHBondContact O-CB 3.27Å; Y53-L57 PolarHBondContact O-N 2.89Å; K54-L57 PolarHBondContact O-N 2.64Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.91Å; L57-N60 PolarHBondContact O-N 3.36Å; L57-Q61 HydrophobicContact CD1-CG 4.2Å; L57-Q61 HydrophobicContact CG-CG 4.48Å; L57-Q61 WeakPolarHBondContact O-CB 3.41Å; L57-Q61 VanDerWaalsContact O-CG 3.3Å; L57-Q61 WeakPolarHBondContact O-CG 3.21Å; L57-Q61 PolarHBondContact O-N 3.25Å; L57-I198 HydrophobicContact CB-CD1 3.79Å; L57-I198 HydrophobicContact CD1-CD1 4.03Å; L57-R217 HydrophobicContact CD1-CB 3.97Å
58E98.9Very high98.7Very high59 Ų5938.6 Ų38.628%0.27620%0.196SC..Hα-helixtrans-61.3-42.7174.8-175.1179.215100110.5K54 N60 Q61 M62 I83 K86 H87K54-E58 PolarHBondContact O-N 3.45Å; E58-N60 PolarHBondContact O-N 2.9Å; E58-Q61 PolarHBondContact O-N 3.1Å; E58-M62 HydrophobicContact CG-CG 4.05Å; E58-M62 VanDerWaalsContact O-CB 3.23Å; E58-M62 WeakPolarHBondContact O-CB 3.2Å; E58-M62 WeakPolarHBondContact O-CG 3.4Å; E58-M62 PolarHBondContact O-N 3.29Å; E58-I83 HydrophobicContact CB-CG2 3.88Å; E58-I83 HydrophobicContact CG-CG2 3.75Å; E58-K86 IonicContact OE1-NZ 3.58Å; E58-H87 IonicContact OE2-CD2 3.47Å; E58-H87 IonicContact OE2-CE1 3.36Å; E58-H87 PolarHBondContact OE2-CE1 2.92Å; E58-H87 IonicContact OE2-NE2 3.68Å; E58-H87 PolarHBondContact OE2-NE2 3.42Å
59A98.9Very high98.8Very high0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-60.5-46.1177.800000112.1A55 V56 L57 V63 A80 I83 I84 P160A55-A59 PolarHBondContact O-N 3.28Å; A55-A59 VanDerWaalsContact O-N 3.1Å; V56-A59 PolarHBondContact O-N 3.34Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.91Å; A59-V63 WeakPolarHBondContact O-CB 3.11Å; A59-V63 VanDerWaalsContact O-CG2 3.27Å; A59-V63 WeakPolarHBondContact O-CG2 3.41Å; A59-V63 PolarHBondContact O-N 3.34Å; A59-A80 HydrophobicContact CB-CB 4.21Å; A59-I83 HydrophobicContact CB-CB 4.23Å; A59-I83 HydrophobicContact CB-CG2 4.05Å; A59-I84 HydrophobicContact CB-CG1 4.19Å; A59-P160 HydrophobicContact CB-CB 3.95Å; A59-P160 HydrophobicContact CB-CG 4Å
60N98.9Very high98.8Very high4 Ų440 Ų402%0.02122%0.222CC..Hα-helixtrans-61.6-53178166.2-78.1000110.6V56 L57 E58 M62 V63 I64 V158 P160 I198 D200V56-N60 WeakPolarHBondContact O-CB 3.48Å; V56-N60 PolarHBondContact O-N 3.36Å; L57-N60 PolarHBondContact O-N 3.36Å; E58-N60 PolarHBondContact O-N 2.9Å; N60-M62 VanDerWaalsContact C-N 3.31Å; N60-M62 PolarHBondContact O-N 2.95Å; N60-V63 PolarHBondContact O-N 3.34Å; N60-I64 WeakPolarHBondContact O-CG1 3.29Å; N60-I64 PolarHBondContact O-N 2.95Å; N60-I64 WeakPolarHBondContact OD1-CD1 3.48Å; N60-V158 PolarHBondContact ND2-O 3.22Å; N60-V158 VanDerWaalsContact ND2-O 3.08Å; N60-P160 HydrophobicContact CB-CG 3.62Å; N60-I198 HydrophobicContact CB-CB 4.44Å; N60-I198 HydrophobicContact CB-CG2 4.1Å; N60-I198 PolarHBondContact ND2-O 2.94Å; N60-D200 PolarHBondContact ND2-OD2 3.32Å; N60-D200 PolarHBondContact OD1-OD2 3.37Å
61Q98.8Very high98.8Very high105 Ų10538.4 Ų38.449%0.49122%0.217SC..Hα-helixtrans-61.1-39.9-178.2-71.6177.1-20.600112.3L57 E58 I64 A65L57-Q61 HydrophobicContact CD1-CG 4.2Å; L57-Q61 HydrophobicContact CG-CG 4.48Å; L57-Q61 WeakPolarHBondContact O-CB 3.41Å; L57-Q61 VanDerWaalsContact O-CG 3.3Å; L57-Q61 WeakPolarHBondContact O-CG 3.21Å; L57-Q61 PolarHBondContact O-N 3.25Å; E58-Q61 PolarHBondContact O-N 3.1Å; Q61-I64 PolarHBondContact O-N 2.91Å; Q61-A65 VanDerWaalsContact O-CB 3.24Å; Q61-A65 WeakPolarHBondContact O-CB 3.09Å; Q61-A65 PolarHBondContact O-N 3.22Å
62M98.9Very high98.8Very high76 Ų7636.8 Ų36.837%0.37421%0.21SC..Hα-helixtrans-71.5-34.3178.7-70.8-59.2-62.100112.6E58 N60 N66 L79 I83E58-M62 HydrophobicContact CG-CG 4.05Å; E58-M62 VanDerWaalsContact O-CB 3.23Å; E58-M62 WeakPolarHBondContact O-CB 3.2Å; E58-M62 WeakPolarHBondContact O-CG 3.4Å; E58-M62 PolarHBondContact O-N 3.29Å; N60-M62 VanDerWaalsContact C-N 3.31Å; N60-M62 PolarHBondContact O-N 2.95Å; M62-N66 PolarHBondContact O-N 2.84Å; M62-N66 PolarHBondContact O-ND2 2.98Å; M62-L79 HydrophobicContact CB-CD2 4.27Å; M62-I83 HydrophobicContact CB-CD1 3.38Å; M62-I83 HydrophobicContact CG-CD1 3.61Å
63V98.9Very high98.8Very high0 Ų036.8 Ų36.80%021%0.21CC..Hα-helixtrans-65-49.2172.1169.30000110.5A59 N60 A65 N66 A67 L76 A80 V115 V158A59-V63 WeakPolarHBondContact O-CB 3.11Å; A59-V63 VanDerWaalsContact O-CG2 3.27Å; A59-V63 WeakPolarHBondContact O-CG2 3.41Å; A59-V63 PolarHBondContact O-N 3.34Å; N60-V63 PolarHBondContact O-N 3.34Å; V63-A65 PolarHBondContact O-N 3.47Å; V63-N66 CarbonylContact O-C 3.55Å; V63-N66 PolarHBondContact O-N 3.06Å; V63-N66 VanDerWaalsContact O-N 3.11Å; V63-A67 PolarHBondContact O-N 3.11Å; V63-L76 HydrophobicContact CG1-CB 4.15Å; V63-L76 HydrophobicContact CG1-CD1 4.47Å; V63-L76 HydrophobicContact CG1-CD2 4.49Å; V63-L76 WeakPolarHBondContact CG2-O 3.45Å; V63-A80 HydrophobicContact CG2-CB 3.91Å; V63-V115 HydrophobicContact CG1-CG2 4.48Å; V63-V115 HydrophobicContact CG2-CG2 4.05Å; V63-V158 HydrophobicContact CB-CG1 3.73Å; V63-V158 HydrophobicContact CG1-CB 4.38Å; V63-V158 HydrophobicContact CG1-CG1 3.47Å; V63-V158 VanDerWaalsContact CG1-CG1 3.47Å; V63-V158 HydrophobicContact CG1-CG2 3.96Å
64I98.9Very high98.8Very high18 Ų1838.2 Ų38.29%0.09222%0.219CC..Hα-helixtrans-58.7-46.9178.1-67.7174.2000110.8N60 Q61 N66 A67 V158 D200 I202 C209 I211N60-I64 WeakPolarHBondContact O-CG1 3.29Å; N60-I64 PolarHBondContact O-N 2.95Å; N60-I64 WeakPolarHBondContact OD1-CD1 3.48Å; Q61-I64 PolarHBondContact O-N 2.91Å; I64-N66 PolarHBondContact O-N 3.39Å; I64-N66 VanDerWaalsContact O-N 3.09Å; I64-A67 WeakPolarHBondContact O-CB 3.19Å; I64-A67 PolarHBondContact O-N 2.99Å; I64-V158 HydrophobicContact CG1-CB 4.05Å; I64-V158 HydrophobicContact CG1-CG1 3.95Å; I64-V158 HydrophobicContact CG1-CG2 4Å; I64-D200 HydrophobicContact CD1-CB 4.05Å; I64-I202 HydrophobicContact CD1-CG2 4.41Å; I64-I202 HydrophobicContact CG1-CG2 4.22Å; I64-C209 PolarHBondContact O-SG 3.41Å; I64-I211 HydrophobicContact CD1-CD1 4.27Å; I64-I211 HydrophobicContact CD1-CG1 4.5Å; I64-I211 HydrophobicContact CG2-CD1 3.86Å; I64-I211 HydrophobicContact CG2-CG1 3.9Å
65A98.7Very high98.8Very high76 Ų7640.2 Ų40.263%0.62823%0.23SC*.Hα-helixtrans-61.3-21.4179.400000113.8Q61 V63Q61-A65 VanDerWaalsContact O-CB 3.24Å; Q61-A65 WeakPolarHBondContact O-CB 3.09Å; Q61-A65 PolarHBondContact O-N 3.22Å; V63-A65 PolarHBondContact O-N 3.47Å
66N98.8Very high98.8Very high65 Ų6540.5 Ų40.535%0.34823%0.231SC..Hα-helixtrans-105.5-1.8177.6-72.4-86.3000113.2M62 V63 I64 K68 A71 L76 L79M62-N66 PolarHBondContact O-N 2.84Å; M62-N66 PolarHBondContact O-ND2 2.98Å; V63-N66 CarbonylContact O-C 3.55Å; V63-N66 PolarHBondContact O-N 3.06Å; V63-N66 VanDerWaalsContact O-N 3.11Å; I64-N66 PolarHBondContact O-N 3.39Å; I64-N66 VanDerWaalsContact O-N 3.09Å; N66-K68 PolarHBondContact O-N 2.84Å; N66-A71 WeakPolarHBondContact O-CB 3.08Å; N66-L76 HydrophobicContact CB-CD2 3.52Å; N66-L79 HydrophobicContact CB-CD2 4.38Å
67A98.8Very high98.8Very high2 Ų240.6 Ų40.62%0.01723%0.231CC..  trans-79.4100.6177.700000110V63 I64 L76 L150 I202 I204 G208 C209V63-A67 PolarHBondContact O-N 3.11Å; I64-A67 WeakPolarHBondContact O-CB 3.19Å; I64-A67 PolarHBondContact O-N 2.99Å; A67-L76 HydrophobicContact CB-CD1 4.31Å; A67-L150 HydrophobicContact CB-CD1 4.18Å; A67-I202 HydrophobicContact CB-CD1 3.64Å; A67-I204 HydrophobicContact CB-CD1 4.06Å; A67-G208 CarbonylContact O-C 3.13Å; A67-C209 HydrophobicContact CB-CB 4.35Å; A67-C209 WeakPolarHBondContact O-CB 3.46Å; A67-C209 PolarHBondContact O-N 3.01Å
68K98.8Very high98.8Very high112 Ų11242.3 Ų42.349%0.48724%0.24SC..SBendtrans-150.3165.4-178.967.4-176.2177-176.30110.9N66 G70 A71N66-K68 PolarHBondContact O-N 2.84Å; K68-G70 PolarHBondContact O-N 2.79Å; K68-A71 HydrophobicContact CG-CB 4.42Å; K68-A71 VanDerWaalsContact O-CB 3.25Å; K68-A71 WeakPolarHBondContact O-CB 3.12Å; K68-A71 PolarHBondContact O-N 2.68Å
69P98.9Very high98.8Very high42 Ų4241.6 Ų41.627%0.27324%0.237SC..THydrogen-bonded Turntrans-50.8134.2173.6-30.438.8000112.5A71 L150 P152 I204 T205P69-A71 VanDerWaalsContact C-N 3.31Å; P69-A71 PolarHBondContact O-N 2.79Å; P69-L150 WeakPolarHBondContact CA-O 3.42Å; P69-P152 HydrophobicContact CB-CG 4.33Å; P69-P152 HydrophobicContact CG-CG 3.81Å; P69-I204 HydrophobicContact CG-CG2 3.94Å; P69-T205 VanDerWaalsContact CD-O 3.22Å; P69-T205 WeakPolarHBondContact CD-O 3.46Å; P69-T205 WeakPolarHBondContact CG-O 3.43Å
70G98.7Very high98.8Very high56 Ų5641.6 Ų41.658%0.57724%0.237SC*.THydrogen-bonded Turntrans85.2-9.5-178.600000115.2K68 I149 L150K68-G70 PolarHBondContact O-N 2.79Å; G70-I149 VanDerWaalsContact CA-CG2 3.5Å; G70-I149 WeakPolarHBondContact O-CG2 3.47Å; G70-L150 PolarHBondContact N-O 2.83Å
71A98.7Very high98.8Very high17 Ų1741.6 Ų41.614%0.1424%0.237CC..  trans-70142174.900000111.5N66 K68 P69 L76 I149 L150N66-A71 WeakPolarHBondContact O-CB 3.08Å; K68-A71 HydrophobicContact CG-CB 4.42Å; K68-A71 VanDerWaalsContact O-CB 3.25Å; K68-A71 WeakPolarHBondContact O-CB 3.12Å; K68-A71 PolarHBondContact O-N 2.68Å; P69-A71 VanDerWaalsContact C-N 3.31Å; P69-A71 PolarHBondContact O-N 2.79Å; A71-L76 HydrophobicContact CB-CD1 4.37Å; A71-I149 CarbonylContact O-C 3.59Å; A71-I149 WeakPolarHBondContact O-CA 3.37Å; A71-L150 HydrophobicContact CB-CD1 4.21Å; A71-L150 HydrophobicContact CB-CG 4.49Å; A71-L150 PolarHBondContact O-N 3.14Å
72S98.6Very high98.8Very high21 Ų2141.8 Ų41.815%0.14724%0.237CC..BIsolated β-bridgetrans-85.3124.8174.5167.20000110.7V74 H75 L76S72-V74 PolarHBondContact O-N 2.85Å; S72-V74 PolarHBondContact OG-N 3.28Å; S72-H75 PolarHBondContact O-N 2.69Å; S72-H75 PolarHBondContact OG-N 3.41Å; S72-L76 PolarHBondContact O-N 3.2Å
73W98.6Very high98.8Very high0 Ų038.7 Ų38.70%022%0.221CC..Hα-helixtrans-61.3-32.9176.1-163.6-113.8000112.4L76 H77 V115 G116 T146 R148 L150 L156 T157 V158W73-L76 HydrophobicContact CE3-CB 4.41Å; W73-L76 HydrophobicContact CE3-CD1 3.7Å; W73-L76 HydrophobicContact CZ3-CD1 3.87Å; W73-L76 PolarHBondContact O-N 2.68Å; W73-H77 PolarHBondContact O-N 3.07Å; W73-V115 HydrophobicContact CD2-CG1 4.4Å; W73-V115 HydrophobicContact CH2-CG1 4.44Å; W73-V115 HydrophobicContact CZ2-CG1 3.74Å; W73-G116 PolarHBondContact NE1-O 3.06Å; W73-T146 HydrophobicContact CB-CG2 4.35Å; W73-T146 VanDerWaalsContact CD1-O 3.29Å; W73-T146 HydrophobicContact CD2-CG2 4.41Å; W73-T146 HydrophobicContact CG-CG2 3.8Å; W73-R148 WeakPolarHBondContact CB-O 3.48Å; W73-R148 PolarHBondContact N-O 3.27Å; W73-R148 VanDerWaalsContact N-O 3.12Å; W73-L150 HydrophobicContact CE3-CD1 4.04Å; W73-L150 HydrophobicContact CE3-CD2 3.79Å; W73-L150 HydrophobicContact CE3-CG 4.3Å; W73-L150 HydrophobicContact CZ3-CD1 4.23Å; W73-L150 HydrophobicContact CZ3-CD2 4.39Å; W73-L156 HydrophobicContact CD2-CD2 4Å; W73-L156 HydrophobicContact CE3-CD2 3.84Å; W73-L156 HydrophobicContact CH2-CB 4.01Å; W73-L156 HydrophobicContact CH2-CD2 3.79Å; W73-L156 HydrophobicContact CH2-CG 4.45Å; W73-L156 HydrophobicContact CZ2-CB 4.47Å; W73-L156 HydrophobicContact CZ2-CD2 3.94Å; W73-L156 HydrophobicContact CZ3-CB 4.49Å; W73-L156 HydrophobicContact CZ3-CD2 3.75Å; W73-T157 VanDerWaalsContact CH2-O 3.32Å; W73-T157 WeakPolarHBondContact CH2-O 3.3Å; W73-T157 WeakPolarHBondContact CZ2-O 3.48Å; W73-V158 HydrophobicContact CH2-CG2 4.03Å
74V98.4Very high98.8Very high32 Ų3238.7 Ų38.719%0.19422%0.221CC..Hα-helixtrans-62.6-44.4173.5173.80000110.9S72 L76 H77 M78 L141 L144 N147S72-V74 PolarHBondContact O-N 2.85Å; S72-V74 PolarHBondContact OG-N 3.28Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 PolarHBondContact O-N 2.78Å; V74-H77 WeakPolarHBondContact O-CB 3.49Å; V74-H77 PolarHBondContact O-N 2.83Å; V74-M78 WeakPolarHBondContact O-CG 3.42Å; V74-M78 PolarHBondContact O-N 2.83Å; V74-L141 HydrophobicContact CG1-CD1 4.18Å; V74-L141 HydrophobicContact CG1-CD2 3.77Å; V74-L144 HydrophobicContact CG2-CD1 4.18Å; V74-N147 HydrophobicContact CG2-CB 3.74Å
75H98.7Very high98.8Very high138 Ų13837.8 Ų37.864%0.63922%0.217SC*.Hα-helixtrans-65.5-37.6177.5-70.7173.6000112.3S72 H77 M78 L79S72-H75 PolarHBondContact O-N 2.69Å; S72-H75 PolarHBondContact OG-N 3.41Å; H75-H77 VanDerWaalsContact C-N 3.35Å; H75-M78 PolarHBondContact O-N 3.47Å; H75-L79 WeakPolarHBondContact O-CB 3.22Å; H75-L79 PolarHBondContact O-N 3.21Å
76L98.9Very high98.8Very high7 Ų738.2 Ų38.24%0.03720%0.204CC..Hα-helixtrans-64.6-39.5175-69178.1000111.9V63 N66 A67 A71 S72 W73 V74 L79 A80 L150V63-L76 HydrophobicContact CG1-CB 4.15Å; V63-L76 HydrophobicContact CG1-CD1 4.47Å; V63-L76 HydrophobicContact CG1-CD2 4.49Å; V63-L76 WeakPolarHBondContact CG2-O 3.45Å; N66-L76 HydrophobicContact CB-CD2 3.52Å; A67-L76 HydrophobicContact CB-CD1 4.31Å; A71-L76 HydrophobicContact CB-CD1 4.37Å; S72-L76 PolarHBondContact O-N 3.2Å; W73-L76 HydrophobicContact CE3-CB 4.41Å; W73-L76 HydrophobicContact CE3-CD1 3.7Å; W73-L76 HydrophobicContact CZ3-CD1 3.87Å; W73-L76 PolarHBondContact O-N 2.68Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 PolarHBondContact O-N 2.78Å; L76-L79 HydrophobicContact CD2-CD2 4.42Å; L76-L79 WeakPolarHBondContact O-CB 3.23Å; L76-L79 PolarHBondContact O-N 3.3Å; L76-A80 PolarHBondContact O-N 2.88Å; L76-A80 VanDerWaalsContact O-N 3.08Å; L76-L150 HydrophobicContact CD1-CD1 3.77Å
77H98.8Very high98.8Very high2 Ų236.3 Ų36.31%0.00919%0.193CC..Hα-helixtrans-61.4-46.3171.9177.474.1000112.5W73 V74 H75 L79 A80 L81 M111 H113 V115 A140 L144W73-H77 PolarHBondContact O-N 3.07Å; V74-H77 WeakPolarHBondContact O-CB 3.49Å; V74-H77 PolarHBondContact O-N 2.83Å; H75-H77 VanDerWaalsContact C-N 3.35Å; H77-L79 VanDerWaalsContact C-N 3.27Å; H77-L79 PolarHBondContact O-N 2.89Å; H77-A80 PolarHBondContact O-N 2.92Å; H77-L81 VanDerWaalsContact NE2-CD1 3.29Å; H77-L81 WeakPolarHBondContact NE2-CD1 3.11Å; H77-L81 PolarHBondContact O-N 3.43Å; H77-M111 WeakPolarHBondContact CE1-CE 3.42Å; H77-M111 WeakPolarHBondContact ND1-CE 3.32Å; H77-H113 PolarHBondContact CE1-O 3.27Å; H77-V115 HydrophobicContact CB-CB 4.05Å; H77-V115 HydrophobicContact CB-CG1 3.72Å; H77-V115 PolarHBondContact ND1-N 2.91Å; H77-A140 PolarHBondContact CD2-O 3.08Å; H77-A140 PolarHBondContact NE2-O 2.8Å; H77-L144 HydrophobicContact CB-CD1 4.12Å; H77-L144 HydrophobicContact CB-CD2 3.9Å
78M98.8Very high98.8Very high57 Ų5736.2 Ų36.228%0.28119%0.193SC..Hα-helixtrans-64.8-32.2177.2-64.8-52.5-63.500112.5V74 H75 L81 K82 M102 A140 L141V74-M78 WeakPolarHBondContact O-CG 3.42Å; V74-M78 PolarHBondContact O-N 2.83Å; H75-M78 PolarHBondContact O-N 3.47Å; M78-L81 HydrophobicContact CE-CD1 4.34Å; M78-L81 HydrophobicContact SD-CD1 3.92Å; M78-K82 WeakPolarHBondContact O-CB 3.44Å; M78-K82 PolarHBondContact O-N 3.43Å; M78-M102 HydrophobicContact CE-CE 3.77Å; M78-A140 HydrophobicContact SD-CB 4.06Å; M78-L141 HydrophobicContact SD-CD2 4.25Å
79L98.9Very high98.8Very high44 Ų4434.2 Ų34.223%0.2318%0.184CC..Hα-helixtrans-62.4-48.2173.1174.762000111.1M62 N66 H75 L76 H77 L81 K82 I83M62-L79 HydrophobicContact CB-CD2 4.27Å; N66-L79 HydrophobicContact CB-CD2 4.38Å; H75-L79 WeakPolarHBondContact O-CB 3.22Å; H75-L79 PolarHBondContact O-N 3.21Å; L76-L79 HydrophobicContact CD2-CD2 4.42Å; L76-L79 WeakPolarHBondContact O-CB 3.23Å; L76-L79 PolarHBondContact O-N 3.3Å; H77-L79 VanDerWaalsContact C-N 3.27Å; H77-L79 PolarHBondContact O-N 2.89Å; L79-L81 PolarHBondContact O-N 3.2Å; L79-K82 PolarHBondContact O-N 3.15Å; L79-I83 HydrophobicContact CD1-CD1 3.87Å; L79-I83 HydrophobicContact CD1-CG1 4.33Å; L79-I83 HydrophobicContact CG-CD1 4.02Å; L79-I83 WeakPolarHBondContact O-CG1 3.47Å; L79-I83 PolarHBondContact O-N 3.5Å
80A98.9Very high98.7Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-58.8-48176.300000111.8A59 V63 L76 H77 K82 I83 I84 M111 V115 P160A59-A80 HydrophobicContact CB-CB 4.21Å; V63-A80 HydrophobicContact CG2-CB 3.91Å; L76-A80 PolarHBondContact O-N 2.88Å; L76-A80 VanDerWaalsContact O-N 3.08Å; H77-A80 PolarHBondContact O-N 2.92Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 3.07Å; A80-I83 PolarHBondContact O-N 2.91Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 3.41Å; A80-M111 HydrophobicContact CB-CE 4.35Å; A80-V115 HydrophobicContact CB-CG2 3.7Å; A80-P160 HydrophobicContact CB-CB 4.18Å
81L98.8Very high98.7Very high4 Ų437.5 Ų37.52%0.02118%0.182CC..Hα-helixtrans-56.5-46175.5-76.1174.7000111.9H77 M78 L79 I83 I84 V85 M102 M111 A140H77-L81 VanDerWaalsContact NE2-CD1 3.29Å; H77-L81 WeakPolarHBondContact NE2-CD1 3.11Å; H77-L81 PolarHBondContact O-N 3.43Å; M78-L81 HydrophobicContact CE-CD1 4.34Å; M78-L81 HydrophobicContact SD-CD1 3.92Å; L79-L81 PolarHBondContact O-N 3.2Å; L81-I83 VanDerWaalsContact C-N 3.33Å; L81-I83 PolarHBondContact O-N 3.38Å; L81-I84 PolarHBondContact O-N 3.4Å; L81-V85 WeakPolarHBondContact O-CB 3.48Å; L81-V85 VanDerWaalsContact O-CG2 3.27Å; L81-V85 WeakPolarHBondContact O-CG2 3.02Å; L81-V85 PolarHBondContact O-N 3.28Å; L81-M102 HydrophobicContact CB-CE 4.12Å; L81-M111 HydrophobicContact CD2-CB 4.02Å; L81-M111 HydrophobicContact CD2-CE 3.79Å; L81-M111 HydrophobicContact CG-CE 3.86Å; L81-A140 HydrophobicContact CD1-CB 4.22Å
82K98.9Very high98.7Very high109 Ų10938 Ų3847%0.47419%0.188SC..Hα-helixtrans-61.5-40.9-179.7-176172.7178.41690112.3M78 L79 A80 K86 M98 M102M78-K82 WeakPolarHBondContact O-CB 3.44Å; M78-K82 PolarHBondContact O-N 3.43Å; L79-K82 PolarHBondContact O-N 3.15Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 3.07Å; K82-K86 WeakPolarHBondContact O-CB 3.37Å; K82-K86 PolarHBondContact O-N 3Å; K82-M98 HydrophobicContact CG-CE 4.02Å; K82-M102 HydrophobicContact CB-CE 3.86Å; K82-M102 HydrophobicContact CB-SD 3.99Å; K82-M102 HydrophobicContact CG-SD 4.35Å
83I98.9Very high98.7Very high10 Ų1037 Ų375%0.05118%0.181CC..Hα-helixtrans-66.1-47.9177.7-69.1164.4000110.3E58 A59 M62 L79 A80 L81 V85 K86 H87E58-I83 HydrophobicContact CB-CG2 3.88Å; E58-I83 HydrophobicContact CG-CG2 3.75Å; A59-I83 HydrophobicContact CB-CB 4.23Å; A59-I83 HydrophobicContact CB-CG2 4.05Å; M62-I83 HydrophobicContact CB-CD1 3.38Å; M62-I83 HydrophobicContact CG-CD1 3.61Å; L79-I83 HydrophobicContact CD1-CD1 3.87Å; L79-I83 HydrophobicContact CD1-CG1 4.33Å; L79-I83 HydrophobicContact CG-CD1 4.02Å; L79-I83 WeakPolarHBondContact O-CG1 3.47Å; L79-I83 PolarHBondContact O-N 3.5Å; A80-I83 PolarHBondContact O-N 2.91Å; L81-I83 VanDerWaalsContact C-N 3.33Å; L81-I83 PolarHBondContact O-N 3.38Å; I83-V85 PolarHBondContact O-N 3.03Å; I83-K86 WeakPolarHBondContact O-CB 3.37Å; I83-K86 PolarHBondContact O-N 3.25Å; I83-H87 PolarHBondContact O-CD2 2.9Å; I83-H87 PolarHBondContact O-N 3.08Å
84I98.9Very high98.7Very high0 Ų037.2 Ų37.20%018%0.182CC..Hα-helixtrans-58.1-49.1177.4-67.8168.4000110.1A59 A80 L81 K86 H87 L88 M111 G161 C162A59-I84 HydrophobicContact CB-CG1 4.19Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 3.41Å; L81-I84 PolarHBondContact O-N 3.4Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 2.92Å; I84-H87 PolarHBondContact O-N 2.68Å; I84-L88 HydrophobicContact CG2-CD1 3.78Å; I84-L88 HydrophobicContact CG2-CG 4.13Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.38Å; I84-L88 PolarHBondContact O-N 2.9Å; I84-M111 HydrophobicContact CD1-CB 4.22Å; I84-M111 HydrophobicContact CD1-CG 4.43Å; I84-M111 HydrophobicContact CD1-SD 3.66Å; I84-G161 WeakPolarHBondContact CD1-O 3.43Å; I84-C162 HydrophobicContact CG2-CB 4.4Å
85V98.9Very high98.7Very high0 Ų040.6 Ų40.60%019%0.194CC..Hα-helixtrans-58.2-43.2177.9169.60000111.9L81 I83 H87 L88 K89 L94 M98 L101 M102 G107L81-V85 WeakPolarHBondContact O-CB 3.48Å; L81-V85 VanDerWaalsContact O-CG2 3.27Å; L81-V85 WeakPolarHBondContact O-CG2 3.02Å; L81-V85 PolarHBondContact O-N 3.28Å; I83-V85 PolarHBondContact O-N 3.03Å; V85-H87 PolarHBondContact O-N 3.48Å; V85-L88 PolarHBondContact O-N 2.98Å; V85-K89 WeakPolarHBondContact O-CB 3.2Å; V85-K89 PolarHBondContact O-N 2.6Å; V85-L94 HydrophobicContact CB-CD1 4.38Å; V85-L94 HydrophobicContact CG1-CD1 3.98Å; V85-L94 HydrophobicContact CG2-CD1 4.33Å; V85-M98 HydrophobicContact CB-CE 4.2Å; V85-M98 HydrophobicContact CG1-CE 3.75Å; V85-M98 HydrophobicContact CG1-SD 3.98Å; V85-L101 HydrophobicContact CG1-CB 3.72Å; V85-L101 HydrophobicContact CG1-CD1 3.81Å; V85-L101 HydrophobicContact CG1-CG 4.34Å; V85-M102 HydrophobicContact CB-SD 4.22Å; V85-M102 HydrophobicContact CG1-SD 4.43Å; V85-M102 HydrophobicContact CG2-SD 4.09Å; V85-G107 VanDerWaalsContact CG2-CA 3.45Å
86K98.9Very high98.6Very high85 Ų8535.6 Ų35.637%0.3718%0.18SC..Hα-helixtrans-57.9-47.9176.8173.5-169.6166.4-159.90111.2E58 K82 I83 I84 K89 Q90 M98E58-K86 IonicContact OE1-NZ 3.58Å; K82-K86 WeakPolarHBondContact O-CB 3.37Å; K82-K86 PolarHBondContact O-N 3Å; I83-K86 WeakPolarHBondContact O-CB 3.37Å; I83-K86 PolarHBondContact O-N 3.25Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 2.92Å; K86-K89 PolarHBondContact O-N 3.06Å; K86-Q90 VanDerWaalsContact O-CG 3.29Å; K86-Q90 WeakPolarHBondContact O-CG 3.44Å; K86-Q90 PolarHBondContact O-N 2.6Å; K86-M98 HydrophobicContact CB-CE 4.08Å; K86-M98 HydrophobicContact CB-SD 4.27Å
87H98.8Very high98.6Very high25 Ų2541.4 Ų41.412%0.11621%0.207CC..Hα-helixtrans-64.2-48.4178.3-86.1-95000111.9A55 E58 I83 I84 V85 K89 Q90 I91A55-H87 HydrophobicContact CB-CB 3.39Å; A55-H87 VanDerWaalsContact CB-CG 3.45Å; E58-H87 IonicContact OE2-CD2 3.47Å; E58-H87 IonicContact OE2-CE1 3.36Å; E58-H87 PolarHBondContact OE2-CE1 2.92Å; E58-H87 IonicContact OE2-NE2 3.68Å; E58-H87 PolarHBondContact OE2-NE2 3.42Å; I83-H87 PolarHBondContact O-CD2 2.9Å; I83-H87 PolarHBondContact O-N 3.08Å; I84-H87 PolarHBondContact O-N 2.68Å; V85-H87 PolarHBondContact O-N 3.48Å; H87-K89 PolarHBondContact O-N 3.35Å; H87-Q90 WeakPolarHBondContact O-CB 3.35Å; H87-Q90 PolarHBondContact O-N 3Å; H87-I91 WeakPolarHBondContact O-CG1 3.42Å; H87-I91 PolarHBondContact O-N 3.36Å
88L98.8Very high98.6Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-60.3-34.9179-65.1-177.7000112.3I52 I84 V85 I91 G92 L93 L94 F110I52-L88 HydrophobicContact CD1-CD2 3.76Å; I84-L88 HydrophobicContact CG2-CD1 3.78Å; I84-L88 HydrophobicContact CG2-CG 4.13Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.38Å; I84-L88 PolarHBondContact O-N 2.9Å; V85-L88 PolarHBondContact O-N 2.98Å; L88-I91 HydrophobicContact CD2-CD1 4.22Å; L88-I91 WeakPolarHBondContact O-CG1 3.25Å; L88-G92 PolarHBondContact O-N 3.15Å; L88-L93 HydrophobicContact CB-CB 4.49Å; L88-L93 HydrophobicContact CD2-CD1 4.13Å; L88-L93 PolarHBondContact O-N 3.31Å; L88-L94 HydrophobicContact CB-CD1 3.84Å; L88-L94 HydrophobicContact CB-CG 4.04Å; L88-L94 HydrophobicContact CD1-CD1 4.33Å; L88-L94 PolarHBondContact O-N 2.67Å; L88-F110 HydrophobicContact CD1-CB 3.9Å; L88-F110 HydrophobicContact CD1-CD1 3.82Å; L88-F110 HydrophobicContact CD1-CD2 3.42Å; L88-F110 VanDerWaalsContact CD1-CD2 3.42Å; L88-F110 HydrophobicContact CD1-CE1 4.19Å; L88-F110 HydrophobicContact CD1-CE2 3.84Å; L88-F110 HydrophobicContact CD1-CG 3.41Å; L88-F110 VanDerWaalsContact CD1-CG 3.41Å; L88-F110 HydrophobicContact CD1-CZ 4.2Å
89K98.6Very high98.6Very high70 Ų7046.5 Ų46.530%0.30424%0.235SC..Hα-helixtrans-65.9-45.8170.8177.3179.6167.164.60111.9V85 K86 H87 I91 G92 L94 G96 M98 L101V85-K89 WeakPolarHBondContact O-CB 3.2Å; V85-K89 PolarHBondContact O-N 2.6Å; K86-K89 PolarHBondContact O-N 3.06Å; H87-K89 PolarHBondContact O-N 3.35Å; K89-I91 VanDerWaalsContact C-N 3.28Å; K89-I91 PolarHBondContact O-N 2.9Å; K89-G92 PolarHBondContact O-N 3.47Å; K89-G92 VanDerWaalsContact O-N 3.08Å; K89-L94 WeakPolarHBondContact CA-O 3.17Å; K89-L94 HydrophobicContact CB-CB 4.21Å; K89-G96 WeakPolarHBondContact CE-O 3.47Å; K89-G96 PolarHBondContact NZ-O 3.35Å; K89-M98 HydrophobicContact CD-CG 4.47Å; K89-M98 HydrophobicContact CD-SD 4.02Å; K89-L101 HydrophobicContact CB-CD1 4.44Å; K89-L101 HydrophobicContact CD-CD1 4.01Å
90Q98.4Very high98.5Very high126 Ų12648.6 Ų48.659%0.58925%0.246SC*.Hα-helixtrans-61.2-35.1-179.5-76173.1-18.300113K86 H87 G92K86-Q90 VanDerWaalsContact O-CG 3.29Å; K86-Q90 WeakPolarHBondContact O-CG 3.44Å; K86-Q90 PolarHBondContact O-N 2.6Å; H87-Q90 WeakPolarHBondContact O-CB 3.35Å; H87-Q90 PolarHBondContact O-N 3Å; Q90-G92 VanDerWaalsContact C-N 3.29Å
91I98Very high98.5Very high41 Ų4148.6 Ų48.621%0.2125%0.246CC..THydrogen-bonded Turntrans-88.45.7177.865.9163000113.5L51 I52 H87 L88 K89 L93L51-I91 HydrophobicContact CB-CG2 4.18Å; L51-I91 HydrophobicContact CD1-CB 4.48Å; L51-I91 HydrophobicContact CD1-CG2 3.9Å; L51-I91 HydrophobicContact CD2-CG2 3.83Å; L51-I91 HydrophobicContact CG-CG2 4.18Å; I52-I91 HydrophobicContact CD1-CD1 3.72Å; H87-I91 WeakPolarHBondContact O-CG1 3.42Å; H87-I91 PolarHBondContact O-N 3.36Å; L88-I91 HydrophobicContact CD2-CD1 4.22Å; L88-I91 WeakPolarHBondContact O-CG1 3.25Å; K89-I91 VanDerWaalsContact C-N 3.28Å; K89-I91 PolarHBondContact O-N 2.9Å; I91-L93 HydrophobicContact CD1-CD1 3.87Å; I91-L93 HydrophobicContact CD1-CG 3.85Å; I91-L93 HydrophobicContact CG1-CG 3.99Å
92G98.1Very high98.5Very high26 Ų2649.9 Ų49.927%0.26825%0.252SS..THydrogen-bonded Turntrans79.221.6173.300000115.6L88 K89 Q90 D183 N186L88-G92 PolarHBondContact O-N 3.15Å; K89-G92 PolarHBondContact O-N 3.47Å; K89-G92 VanDerWaalsContact O-N 3.08Å; Q90-G92 VanDerWaalsContact C-N 3.29Å; G92-D183 VanDerWaalsContact O-CB 3.25Å; G92-D183 WeakPolarHBondContact O-CB 3.29Å; G92-N186 PolarHBondContact O-ND2 3.01Å
93L98.4Very high98.5Very high1 Ų148.4 Ų48.41%0.00526%0.26CS..SBendtrans-87.5-31171.7-57.9-164000112.4L88 I91 F164 D183 N186 I187 Y190L88-L93 HydrophobicContact CB-CB 4.49Å; L88-L93 HydrophobicContact CD2-CD1 4.13Å; L88-L93 PolarHBondContact O-N 3.31Å; I91-L93 HydrophobicContact CD1-CD1 3.87Å; I91-L93 HydrophobicContact CD1-CG 3.85Å; I91-L93 HydrophobicContact CG1-CG 3.99Å; L93-F164 HydrophobicContact CD1-CE1 3.56Å; L93-F164 HydrophobicContact CD1-CZ 3.67Å; L93-D183 PolarHBondContact O-N 2.93Å; L93-D183 VanDerWaalsContact O-N 3.07Å; L93-N186 HydrophobicContact CD2-CB 3.5Å; L93-N186 VanDerWaalsContact CD2-CB 3.5Å; L93-I187 HydrophobicContact CB-CG1 4.22Å; L93-I187 HydrophobicContact CD2-CG1 4.27Å; L93-Y190 HydrophobicContact CD1-CD2 3.88Å; L93-Y190 HydrophobicContact CD1-CE2 3.98Å; L93-Y190 HydrophobicContact CD1-CG 4.22Å; L93-Y190 HydrophobicContact CD2-CD2 3.93Å; L93-Y190 HydrophobicContact CD2-CE2 3.78Å; L93-Y190 HydrophobicContact CG-CE2 4.36Å
94L98.7Very high98.4Very high5 Ų549.4 Ų49.43%0.02627%0.27CS..BIsolated β-bridgetrans-114.4145.1174.8-63.9177.7000111.3V85 L88 K89 L101 M106 F110 F181 L182V85-L94 HydrophobicContact CB-CD1 4.38Å; V85-L94 HydrophobicContact CG1-CD1 3.98Å; V85-L94 HydrophobicContact CG2-CD1 4.33Å; L88-L94 HydrophobicContact CB-CD1 3.84Å; L88-L94 HydrophobicContact CB-CG 4.04Å; L88-L94 HydrophobicContact CD1-CD1 4.33Å; L88-L94 PolarHBondContact O-N 2.67Å; K89-L94 WeakPolarHBondContact CA-O 3.17Å; K89-L94 HydrophobicContact CB-CB 4.21Å; L94-L101 HydrophobicContact CB-CD1 4.29Å; L94-L101 HydrophobicContact CB-CD2 4.2Å; L94-L101 HydrophobicContact CD1-CD2 4.47Å; L94-M106 HydrophobicContact CD1-CB 4.44Å; L94-M106 HydrophobicContact CD2-CB 4.44Å; L94-M106 HydrophobicContact CD2-CE 4.03Å; L94-F110 HydrophobicContact CD2-CE2 4.07Å; L94-F110 HydrophobicContact CG-CE2 4.49Å; L94-F181 CarbonylContact C-O 3.51Å; L94-F181 VanDerWaalsContact CA-O 3.3Å; L94-F181 WeakPolarHBondContact CA-O 3.23Å; L94-L182 HydrophobicContact CD2-CD2 3.73Å
95K98.2Very high98.4Very high102 Ų10252.1 Ų52.144%0.44329%0.285SS..  trans-130.6158.8176.667.6-167.3-178.5-156.10110.9L101 K180 F181 L182K95-L101 WeakPolarHBondContact O-CD2 3.48Å; K95-K180 WeakPolarHBondContact CE-O 3.44Å; K95-F181 PolarHBondContact N-O 3.18Å; K95-F181 WeakPolarHBondContact O-CD1 3.28Å; K95-L182 WeakPolarHBondContact CE-O 3.29Å; K95-L182 PolarHBondContact NZ-O 3.39Å
96G97.8Very high98.4Very high33 Ų3352.1 Ų52.134%0.3429%0.285SS..SBendtrans98.7178.2-173.700000113.5K89K89-G96 WeakPolarHBondContact CE-O 3.47Å; K89-G96 PolarHBondContact NZ-O 3.35Å
97E98.3Very high98.3Very high130 Ų13048.2 Ų48.261%0.60727%0.268SS*.  trans-76.6150.6-176.4-67.4-53.2123.400112.4D99 D100 L101E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 2.98Å; E97-D100 PolarHBondContact O-N 3.3Å; E97-L101 VanDerWaalsContact O-CG 3.29Å; E97-L101 WeakPolarHBondContact O-CG 3.36Å; E97-L101 PolarHBondContact O-N 2.97Å
98M98.5Very high98.3Very high41 Ų4147.7 Ų47.720%0.20227%0.267CS..Hα-helixtrans-59.6-40.7-177.2-80.6-61.2-56.700112.5K82 V85 K86 K89 L101 M102K82-M98 HydrophobicContact CG-CE 4.02Å; V85-M98 HydrophobicContact CB-CE 4.2Å; V85-M98 HydrophobicContact CG1-CE 3.75Å; V85-M98 HydrophobicContact CG1-SD 3.98Å; K86-M98 HydrophobicContact CB-CE 4.08Å; K86-M98 HydrophobicContact CB-SD 4.27Å; K89-M98 HydrophobicContact CD-CG 4.47Å; K89-M98 HydrophobicContact CD-SD 4.02Å; M98-L101 PolarHBondContact O-N 3.04Å; M98-L101 HydrophobicContact SD-CD1 4.36Å; M98-M102 VanDerWaalsContact O-CG 3.26Å; M98-M102 WeakPolarHBondContact O-CG 3.24Å; M98-M102 PolarHBondContact O-N 3.17Å
99D98.4Very high98.3Very high125 Ų12548.2 Ų48.267%0.66827%0.27SS*.Hα-helixtrans-67.5-38.3-178.7-67.8-18.6000111.4E97 M102 A103E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 2.98Å; D99-M102 PolarHBondContact O-N 2.79Å; D99-A103 VanDerWaalsContact O-CB 3.31Å; D99-A103 WeakPolarHBondContact O-CB 3.38Å; D99-A103 PolarHBondContact O-N 3.21Å
100D98.5Very high98.3Very high88 Ų8844.9 Ų44.947%0.47126%0.255SS..Hα-helixtrans-65.3-44174.7-65.3-27.9000111.6E97 M102 A103 A104 F181E97-D100 PolarHBondContact O-N 3.3Å; D100-M102 VanDerWaalsContact C-N 3.31Å; D100-M102 PolarHBondContact O-N 3.4Å; D100-A103 PolarHBondContact O-N 2.91Å; D100-A104 VanDerWaalsContact O-CB 3.27Å; D100-A104 WeakPolarHBondContact O-CB 3.34Å; D100-A104 PolarHBondContact O-N 2.85Å; D100-F181 HydrophobicContact CB-CE1 3.84Å; D100-F181 HydrophobicContact CB-CZ 4.06Å
101L98.7Very high98.3Very high0 Ų039 Ų390%023%0.228CC..Hα-helixtrans-60.8-40.6177.5-70.9170.5000111.9V85 K89 L94 K95 E97 M98 N105 M106 F181V85-L101 HydrophobicContact CG1-CB 3.72Å; V85-L101 HydrophobicContact CG1-CD1 3.81Å; V85-L101 HydrophobicContact CG1-CG 4.34Å; K89-L101 HydrophobicContact CB-CD1 4.44Å; K89-L101 HydrophobicContact CD-CD1 4.01Å; L94-L101 HydrophobicContact CB-CD1 4.29Å; L94-L101 HydrophobicContact CB-CD2 4.2Å; L94-L101 HydrophobicContact CD1-CD2 4.47Å; K95-L101 WeakPolarHBondContact O-CD2 3.48Å; E97-L101 VanDerWaalsContact O-CG 3.29Å; E97-L101 WeakPolarHBondContact O-CG 3.36Å; E97-L101 PolarHBondContact O-N 2.97Å; M98-L101 PolarHBondContact O-N 3.04Å; M98-L101 HydrophobicContact SD-CD1 4.36Å; L101-N105 PolarHBondContact O-N 3.1Å; L101-M106 HydrophobicContact CD2-CB 4.18Å; L101-M106 HydrophobicContact CD2-CG 3.8Å; L101-M106 WeakPolarHBondContact O-CB 3.47Å; L101-M106 PolarHBondContact O-N 2.85Å; L101-F181 HydrophobicContact CD2-CB 3.71Å; L101-F181 HydrophobicContact CD2-CD1 3.75Å; L101-F181 HydrophobicContact CD2-CG 3.88Å; L101-F181 HydrophobicContact CG-CD1 4.49Å
102M98.4Very high98.3Very high30 Ų3037.8 Ų37.815%0.14822%0.223CC..Hα-helixtrans-71.4-43.2177.5-67.8-56.8-6400111.6M78 L81 K82 V85 M98 D99 D100 A104 N105M78-M102 HydrophobicContact CE-CE 3.77Å; L81-M102 HydrophobicContact CB-CE 4.12Å; K82-M102 HydrophobicContact CB-CE 3.86Å; K82-M102 HydrophobicContact CB-SD 3.99Å; K82-M102 HydrophobicContact CG-SD 4.35Å; V85-M102 HydrophobicContact CB-SD 4.22Å; V85-M102 HydrophobicContact CG1-SD 4.43Å; V85-M102 HydrophobicContact CG2-SD 4.09Å; M98-M102 VanDerWaalsContact O-CG 3.26Å; M98-M102 WeakPolarHBondContact O-CG 3.24Å; M98-M102 PolarHBondContact O-N 3.17Å; D99-M102 PolarHBondContact O-N 2.79Å; D100-M102 VanDerWaalsContact C-N 3.31Å; D100-M102 PolarHBondContact O-N 3.4Å; M102-A104 VanDerWaalsContact C-N 3.3Å; M102-A104 PolarHBondContact O-N 3.34Å; M102-N105 PolarHBondContact O-N 3.38Å
103A97.8Very high98.3Very high78 Ų7837.7 Ų37.765%0.64522%0.215SC*.Hα-helixtrans-62.5-37.7176.800000112.2D99 D100 N105D99-A103 VanDerWaalsContact O-CB 3.31Å; D99-A103 WeakPolarHBondContact O-CB 3.38Å; D99-A103 PolarHBondContact O-N 3.21Å; D100-A103 PolarHBondContact O-N 2.91Å; A103-N105 PolarHBondContact O-N 2.8Å; A103-N105 PolarHBondContact O-ND2 3.23Å
104A97.8Very high98.4Very high32 Ų3238 Ų3826%0.26422%0.219SC..THydrogen-bonded Turntrans-77.20.9175.300000113.9D100 M102 M106 F181D100-A104 VanDerWaalsContact O-CB 3.27Å; D100-A104 WeakPolarHBondContact O-CB 3.34Å; D100-A104 PolarHBondContact O-N 2.85Å; M102-A104 VanDerWaalsContact C-N 3.3Å; M102-A104 PolarHBondContact O-N 3.34Å; A104-M106 HydrophobicContact CB-CG 4.01Å; A104-M106 HydrophobicContact CB-SD 4.25Å; A104-M106 PolarHBondContact O-N 3.06Å; A104-F181 HydrophobicContact CB-CD2 4.11Å; A104-F181 HydrophobicContact CB-CE2 3.59Å; A104-F181 HydrophobicContact CB-CZ 4.24Å
105N98.1Very high98.4Very high57 Ų5737.7 Ų37.731%0.30522%0.217SC..THydrogen-bonded Turntrans56.930.9-178.4-58.2-73.4000113.9L101 M102 A103 G107 C108 V139 A140L101-N105 PolarHBondContact O-N 3.1Å; M102-N105 PolarHBondContact O-N 3.38Å; A103-N105 PolarHBondContact O-N 2.8Å; A103-N105 PolarHBondContact O-ND2 3.23Å; N105-G107 PolarHBondContact O-N 3.03Å; N105-G107 VanDerWaalsContact O-N 3.14Å; N105-C108 HydrophobicContact CB-CB 4.49Å; N105-C108 VanDerWaalsContact O-CB 3.3Å; N105-C108 WeakPolarHBondContact O-CB 3.3Å; N105-C108 PolarHBondContact O-N 2.82Å; N105-V139 HydrophobicContact CB-CG1 4.4Å; N105-A140 WeakPolarHBondContact OD1-CB 3.42Å
106M98.5Very high98.4Very high0 Ų032.9 Ų32.90%020%0.197CC..THydrogen-bonded Turntrans-59.3-31.4-174.4-67.3-55-61.400113.2L94 L101 A104 C108 I109 M178 F181 L182L94-M106 HydrophobicContact CD1-CB 4.44Å; L94-M106 HydrophobicContact CD2-CB 4.44Å; L94-M106 HydrophobicContact CD2-CE 4.03Å; L101-M106 HydrophobicContact CD2-CB 4.18Å; L101-M106 HydrophobicContact CD2-CG 3.8Å; L101-M106 WeakPolarHBondContact O-CB 3.47Å; L101-M106 PolarHBondContact O-N 2.85Å; A104-M106 HydrophobicContact CB-CG 4.01Å; A104-M106 HydrophobicContact CB-SD 4.25Å; A104-M106 PolarHBondContact O-N 3.06Å; M106-C108 PolarHBondContact O-N 3.32Å; M106-I109 HydrophobicContact CE-CD1 3.37Å; M106-I109 WeakPolarHBondContact O-CB 3.41Å; M106-I109 WeakPolarHBondContact O-CG1 3.27Å; M106-I109 PolarHBondContact O-N 3.39Å; M106-I109 HydrophobicContact SD-CD1 4.1Å; M106-M178 HydrophobicContact CE-CB 4.48Å; M106-M178 HydrophobicContact SD-CB 4.18Å; M106-M178 HydrophobicContact SD-CE 4.27Å; M106-M178 HydrophobicContact SD-CG 4.35Å; M106-F181 HydrophobicContact CE-CB 3.8Å; M106-F181 HydrophobicContact CG-CB 4.1Å; M106-F181 HydrophobicContact CG-CD2 4.09Å; M106-F181 HydrophobicContact CG-CG 4.24Å; M106-F181 HydrophobicContact SD-CB 4.04Å; M106-F181 HydrophobicContact SD-CD2 3.81Å; M106-F181 HydrophobicContact SD-CG 4.3Å; M106-L182 HydrophobicContact CE-CD1 4.11Å; M106-L182 HydrophobicContact CE-CD2 3.67Å; M106-L182 HydrophobicContact CE-CG 3.68Å
107G98.2Very high98.4Very high2 Ų231.4 Ų31.42%0.02118%0.181CC..Hα-helixtrans-62.1-26.2175.600000114V85 N105 I109 F110 M111V85-G107 VanDerWaalsContact CG2-CA 3.45Å; N105-G107 PolarHBondContact O-N 3.03Å; N105-G107 VanDerWaalsContact O-N 3.14Å; G107-I109 PolarHBondContact O-N 2.8Å; G107-F110 PolarHBondContact O-N 3.3Å; G107-M111 PolarHBondContact O-N 2.83Å
108C98.4Very high98.5Very high14 Ų1426 Ų2610%0.09516%0.156CC..Hα-helixtrans-71.7-16.7-177.5-58.10000113.1N105 M106 F110 P112 V139 A140N105-C108 HydrophobicContact CB-CB 4.49Å; N105-C108 VanDerWaalsContact O-CB 3.3Å; N105-C108 WeakPolarHBondContact O-CB 3.3Å; N105-C108 PolarHBondContact O-N 2.82Å; M106-C108 PolarHBondContact O-N 3.32Å; C108-F110 VanDerWaalsContact C-N 3.29Å; C108-P112 WeakPolarHBondContact O-CA 3.49Å; C108-V139 HydrophobicContact CB-CG1 3.9Å; C108-A140 VanDerWaalsContact SG-CA 3.5Å
109I98.4Very high98.5Very high11 Ų1124.6 Ų24.66%0.05615%0.149CC..Hα-helixtrans-66.3-39.5170.8-54.9165.2000109.5M106 G107 L168 L169 A172 M178 L182M106-I109 HydrophobicContact CE-CD1 3.37Å; M106-I109 WeakPolarHBondContact O-CB 3.41Å; M106-I109 WeakPolarHBondContact O-CG1 3.27Å; M106-I109 PolarHBondContact O-N 3.39Å; M106-I109 HydrophobicContact SD-CD1 4.1Å; G107-I109 PolarHBondContact O-N 2.8Å; I109-L168 HydrophobicContact CG2-CB 4.17Å; I109-L169 HydrophobicContact CG2-CD2 3.89Å; I109-A172 HydrophobicContact CD1-CB 3.66Å; I109-A172 HydrophobicContact CG1-CB 4.21Å; I109-A172 HydrophobicContact CG2-CB 4.47Å; I109-M178 HydrophobicContact CD1-CE 3.51Å; I109-M178 HydrophobicContact CG1-CE 3.7Å; I109-L182 HydrophobicContact CD1-CD2 4.45Å
110F98.7Very high98.4Very high0 Ų019.4 Ų19.40%013%0.125CC..Hα-helixtrans-96.7-23.9-173.6-58.6-84.1000113L88 L94 G107 C108 C162 Y163 F164 L169 L182L88-F110 HydrophobicContact CD1-CB 3.9Å; L88-F110 HydrophobicContact CD1-CD1 3.82Å; L88-F110 HydrophobicContact CD1-CD2 3.42Å; L88-F110 VanDerWaalsContact CD1-CD2 3.42Å; L88-F110 HydrophobicContact CD1-CE1 4.19Å; L88-F110 HydrophobicContact CD1-CE2 3.84Å; L88-F110 HydrophobicContact CD1-CG 3.41Å; L88-F110 VanDerWaalsContact CD1-CG 3.41Å; L88-F110 HydrophobicContact CD1-CZ 4.2Å; L94-F110 HydrophobicContact CD2-CE2 4.07Å; L94-F110 HydrophobicContact CG-CE2 4.49Å; G107-F110 PolarHBondContact O-N 3.3Å; C108-F110 VanDerWaalsContact C-N 3.29Å; F110-C162 CarbonylContact O-C 3.5Å; F110-C162 VanDerWaalsContact O-CA 3.3Å; F110-C162 WeakPolarHBondContact O-CA 3.42Å; F110-Y163 VanDerWaalsContact O-CD2 3.23Å; F110-Y163 WeakPolarHBondContact O-CD2 3.27Å; F110-Y163 PolarHBondContact O-N 3.32Å; F110-F164 HydrophobicContact CD1-CD1 4.36Å; F110-F164 HydrophobicContact CD1-CE1 4.1Å; F110-F164 HydrophobicContact CD1-CZ 4.48Å; F110-F164 HydrophobicContact CE1-CD1 4.02Å; F110-F164 AromaticContact CE1-CE1 3.7Å; F110-F164 HydrophobicContact CE1-CE1 3.7Å; F110-F164 HydrophobicContact CE1-CZ 4.43Å; F110-L169 HydrophobicContact CE1-CD2 3.88Å; F110-L169 HydrophobicContact CZ-CD2 4.1Å; F110-L182 HydrophobicContact CE2-CD2 4.49Å; F110-L182 HydrophobicContact CZ-CD2 4.34Å
111M98.8Very high98.4Very high2 Ų219.9 Ų19.91%0.0113%0.127CC..  trans-126.180.3171.7-16617788.300109.6H77 A80 L81 I84 G107 H113 P160 G161H77-M111 WeakPolarHBondContact CE1-CE 3.42Å; H77-M111 WeakPolarHBondContact ND1-CE 3.32Å; A80-M111 HydrophobicContact CB-CE 4.35Å; L81-M111 HydrophobicContact CD2-CB 4.02Å; L81-M111 HydrophobicContact CD2-CE 3.79Å; L81-M111 HydrophobicContact CG-CE 3.86Å; I84-M111 HydrophobicContact CD1-CB 4.22Å; I84-M111 HydrophobicContact CD1-CG 4.43Å; I84-M111 HydrophobicContact CD1-SD 3.66Å; G107-M111 PolarHBondContact O-N 2.83Å; M111-H113 PolarHBondContact O-N 3.08Å; M111-P160 HydrophobicContact SD-CB 4.03Å; M111-G161 WeakPolarHBondContact CB-O 3.3Å; M111-G161 WeakPolarHBondContact CG-O 3.44Å
112P98.3Very high98.4Very high17 Ų1723.5 Ų23.511%0.1115%0.146CC..  trans-84.418.4-17335.2-37.2000113.7M1 C108 Y143 I165 L168M1-P112 HydrophobicContact CE-CG 4.39Å; M1-P112 HydrophobicContact SD-CG 3.97Å; C108-P112 WeakPolarHBondContact O-CA 3.49Å; P112-Y143 WeakPolarHBondContact O-CD2 3.46Å; P112-Y143 WeakPolarHBondContact O-CE2 3.07Å; P112-I165 HydrophobicContact CG-CD1 3.92Å; P112-L168 HydrophobicContact CB-CD1 3.72Å; P112-L168 HydrophobicContact CG-CD1 3.93Å
113H98.6Very high98.4Very high23 Ų2324.4 Ų24.411%0.10615%0.153CC..SBendtrans-130.8169.6177.561.890.7000111.2M1 H77 M111 E159 Y163M1-H113 HydrophobicContact CE-CB 4.33Å; M1-H113 HydrophobicContact SD-CB 3.69Å; M1-H113 PolarHBondContact SD-CD2 3.14Å; H77-H113 PolarHBondContact CE1-O 3.27Å; M111-H113 PolarHBondContact O-N 3.08Å; H113-E159 PolarHBondContact CE1-O 3.2Å; H113-E159 VanDerWaalsContact CE1-O 3.23Å; H113-E159 IonicContact CE1-OE2 3.92Å; H113-E159 IonicContact ND1-OE2 3.89Å; H113-Y163 AromaticContact CD2-CE2 3.51Å; H113-Y163 AromaticContact CD2-CZ 3.96Å; H113-Y163 AromaticContact NE2-CE2 3.15Å; H113-Y163 WeakPolarHBondContact NE2-CE2 3.15Å; H113-Y163 AromaticContact NE2-CZ 3.4Å; H113-Y163 PolarHBondContact NE2-OH 3.31Å
114G98.5Very high98.4Very high7 Ų724.3 Ų24.37%0.07214%0.139CC..  trans-65.5156.6173.400000112G116G114-G116 PolarHBondContact O-N 2.93Å; G114-G116 VanDerWaalsContact O-N 3.15Å
115V98.8Very high98.5Very high0 Ų025.2 Ų25.20%014%0.139CC..SBendtrans-69.7-917973.50000113.3V63 W73 H77 A80 L144 E159 P160V63-V115 HydrophobicContact CG1-CG2 4.48Å; V63-V115 HydrophobicContact CG2-CG2 4.05Å; W73-V115 HydrophobicContact CD2-CG1 4.4Å; W73-V115 HydrophobicContact CH2-CG1 4.44Å; W73-V115 HydrophobicContact CZ2-CG1 3.74Å; H77-V115 HydrophobicContact CB-CB 4.05Å; H77-V115 HydrophobicContact CB-CG1 3.72Å; H77-V115 PolarHBondContact ND1-N 2.91Å; A80-V115 HydrophobicContact CB-CG2 3.7Å; V115-L144 HydrophobicContact CG1-CD2 4.33Å; V115-E159 WeakPolarHBondContact O-CG 3.45Å; V115-E159 PolarHBondContact O-N 3.48Å; V115-P160 HydrophobicContact CG2-CB 4.43Å
116G98.8Very high98.4Very high1 Ų127.5 Ų27.51%0.0116%0.155CC..  trans154.4-173.5179.100000112.3W73 G114 T157 E159W73-G116 PolarHBondContact NE1-O 3.06Å; G114-G116 PolarHBondContact O-N 2.93Å; G114-G116 VanDerWaalsContact O-N 3.15Å; G116-T157 WeakPolarHBondContact CA-O 3.37Å; G116-T157 VanDerWaalsContact CA-OG1 3.27Å; G116-T157 WeakPolarHBondContact CA-OG1 3.32Å; G116-E159 WeakPolarHBondContact CA-OE1 3.35Å
117H98.8Very high98.3Very high2 Ų229.3 Ų29.31%0.00917%0.174CC..  trans-151.8165.9-170.95583.1000112.5D34 V123 H124 R145 L156 T157 E159D34-H117 IonicContact OD2-CE1 2.68Å; D34-H117 IonicContact OD2-NE2 3.52Å; H117-V123 PolarHBondContact CE1-O 2.88Å; H117-V123 PolarHBondContact ND1-O 3.47Å; H117-H124 AromaticContact CD2-CD2 3.44Å; H117-H124 PolarHBondContact CD2-CD2 2.96Å; H117-H124 VanDerWaalsContact CD2-CD2 3.44Å; H117-H124 AromaticContact CD2-NE2 3.8Å; H117-H124 AromaticContact CE1-CD2 3.5Å; H117-H124 AromaticContact CG-CD2 3.6Å; H117-H124 AromaticContact ND1-CD2 3.63Å; H117-H124 AromaticContact NE2-CD2 3.35Å; H117-H124 PolarHBondContact NE2-CD2 3.17Å; H117-H124 AromaticContact NE2-NE2 3.63Å; H117-R145 HydrophobicContact CB-CB 3.63Å; H117-R145 HydrophobicContact CB-CG 4.01Å; H117-L156 CarbonylContact O-C 3.48Å; H117-L156 WeakPolarHBondContact O-CA 3.45Å; H117-L156 WeakPolarHBondContact O-CB 3.01Å; H117-T157 PolarHBondContact CD2-OG1 3.13Å; H117-T157 WeakPolarHBondContact CE1-CG2 3.37Å; H117-T157 PolarHBondContact N-OG1 3.15Å; H117-T157 PolarHBondContact NE2-OG1 3.48Å; H117-T157 PolarHBondContact O-N 2.98Å; H117-E159 IonicContact CD2-OE1 3.18Å; H117-E159 PolarHBondContact CD2-OE1 3.28Å; H117-E159 IonicContact NE2-OE1 3.59Å
118L98.7Very high98.3Very high17 Ų1729.6 Ų29.69%0.08918%0.177CC..BIsolated β-bridgetrans-63.6145.6167-64.6170.7000109.6V123 D125 V126 M154 V155 L156L118-V123 VanDerWaalsContact O-O 3.11Å; L118-D125 HydrophobicContact CB-CB 4.03Å; L118-D125 PolarHBondContact O-N 3.1Å; L118-V126 WeakPolarHBondContact CD1-O 3.31Å; L118-M154 HydrophobicContact CD2-CB 4.33Å; L118-M154 HydrophobicContact CD2-CG 4.42Å; L118-M154 HydrophobicContact CD2-SD 4.49Å; L118-V155 WeakPolarHBondContact CA-O 3.23Å; L118-L156 HydrophobicContact CD2-CD2 4.13Å; L118-L156 HydrophobicContact CD2-CG 4.12Å
119M98.4Very high98.2Very high10 Ų1031.1 Ų31.15%0.04918%0.181CC..  trans-137.7143.6178.3-173-175.566.200109.9D34 V155 T157 N201D34-M119 HydrophobicContact CB-SD 3.72Å; M119-V155 HydrophobicContact CB-CG1 4.37Å; M119-V155 HydrophobicContact CE-CG1 3.87Å; M119-V155 PolarHBondContact N-O 3.32Å; M119-V155 WeakPolarHBondContact O-CB 3.3Å; M119-T157 HydrophobicContact SD-CG2 4.33Å; M119-N201 HydrophobicContact CE-CB 3.75Å; M119-N201 WeakPolarHBondContact CE-OD1 3.45Å
120G98.3Very high97.8Very high16 Ų1634 Ų3417%0.16520%0.202CC..SBendtrans-169.2-115.4-17900000111.8A32 D122 D125A32-G120 PolarHBondContact N-O 2.98Å; G120-D122 PolarHBondContact N-O 2.9Å; G120-D125 WeakPolarHBondContact CA-OD2 3.16Å
121I98.2Very high97.2Very high98 Ų9843.4 Ų43.450%0.50325%0.246SC..SBendtrans-68.9-42.1170.4-68.9173.6000109.2R27 F31R27-I121 PolarHBondContact NH1-O 3.4Å; R27-I121 PolarHBondContact NH2-O 2.86Å; F31-I121 HydrophobicContact CD1-CG1 4.47Å; F31-I121 HydrophobicContact CE1-CG1 4.39Å
122D98.2Very high96.7Very high76 Ų7651.1 Ų51.141%0.40629%0.287SS..SBendtrans-92.6146.5170.4-62.8-43.7000110G120G120-D122 PolarHBondContact N-O 2.9Å
123V98.3Very high96.4Very high49 Ų4953.7 Ų53.730%0.29730%0.298SS..SBendtrans-58.9-53.1174.4172.50000108.8A32 D34 H117 L118 D125A32-V123 HydrophobicContact CB-CG2 3.75Å; D34-V123 HydrophobicContact CB-CG1 4.12Å; D34-V123 WeakPolarHBondContact OD2-CG1 3.18Å; H117-V123 PolarHBondContact CE1-O 2.88Å; H117-V123 PolarHBondContact ND1-O 3.47Å; L118-V123 VanDerWaalsContact O-O 3.11Å; V123-D125 PolarHBondContact O-N 3.19Å
124H98.3Very high95.9Very high76 Ų7660 Ų6035%0.35233%0.325SS..SBendtrans-90.585.3166.1-62135.5000109.6H117 R145H117-H124 AromaticContact CD2-CD2 3.44Å; H117-H124 PolarHBondContact CD2-CD2 2.96Å; H117-H124 VanDerWaalsContact CD2-CD2 3.44Å; H117-H124 AromaticContact CD2-NE2 3.8Å; H117-H124 AromaticContact CE1-CD2 3.5Å; H117-H124 AromaticContact CG-CD2 3.6Å; H117-H124 AromaticContact ND1-CD2 3.63Å; H117-H124 AromaticContact NE2-CD2 3.35Å; H117-H124 PolarHBondContact NE2-CD2 3.17Å; H117-H124 AromaticContact NE2-NE2 3.63Å; H124-R145 WeakPolarHBondContact CD2-CD 3.45Å; H124-R145 PolarHBondContact CD2-NE 2.95Å; H124-R145 VanDerWaalsContact CE1-CZ 3.41Å; H124-R145 PolarHBondContact CE1-NH2 3.47Å; H124-R145 VanDerWaalsContact NE2-CZ 3.32Å; H124-R145 PolarHBondContact NE2-NE 3.36Å; H124-R145 PolarHBondContact NE2-NH2 3.46Å
125D98.2Very high95.7Very high51 Ų5164.1 Ų64.127%0.27334%0.338SS..  trans-70.6160.7-171.4-155.917000114L118 G120 V123L118-D125 HydrophobicContact CB-CB 4.03Å; L118-D125 PolarHBondContact O-N 3.1Å; G120-D125 WeakPolarHBondContact CA-OD2 3.16Å; V123-D125 PolarHBondContact O-N 3.19Å
126V97.1Very high95.6Very high105 Ų10566.4 Ų66.464%0.63635%0.354SS*.SBendtrans-69.2167.6-177-62.10000112.9L118 G128L118-V126 WeakPolarHBondContact CD1-O 3.31Å; V126-G128 VanDerWaalsContact C-N 3.34Å; V126-G128 PolarHBondContact O-N 3.42Å
127G96.4Very high95.5Very high38 Ų3872 Ų7239%0.39238%0.384SS..  trans77.215.7169.400000115.4Y129 R148G127-Y129 VanDerWaalsContact C-N 3.29Å; G127-Y129 PolarHBondContact O-N 3.05Å; G127-R148 VanDerWaalsContact O-CD 3.28Å; G127-R148 WeakPolarHBondContact O-CD 3.49Å; G127-R148 PolarHBondContact O-NH1 3.47Å
128G97.6Very high95.4Very high8 Ų874.2 Ų74.28%0.08240%0.403CS..SBendtrans-64.1-30.9175.400000114V126 R145 T146V126-G128 VanDerWaalsContact C-N 3.34Å; V126-G128 PolarHBondContact O-N 3.42Å; G128-R145 WeakPolarHBondContact CA-O 3.44Å; G128-T146 VanDerWaalsContact O-CA 3.23Å; G128-T146 WeakPolarHBondContact O-CA 3.23Å; G128-T146 VanDerWaalsContact O-CB 3.26Å; G128-T146 WeakPolarHBondContact O-CB 3.31Å; G128-T146 PolarHBondContact O-OG1 2.89Å
129Y97.1Very high95.3Very high47 Ų4777 Ų7718%0.18442%0.42CS..SBendtrans-126.8141.7173.9-67.6-83.8000109.5G127 E133 R135 L144 R145 N147G127-Y129 VanDerWaalsContact C-N 3.29Å; G127-Y129 PolarHBondContact O-N 3.05Å; Y129-E133 HydrophobicContact CD1-CG 4.08Å; Y129-R135 HydrophobicContact CE1-CB 4.11Å; Y129-R135 HydrophobicContact CE1-CG 4.21Å; Y129-R135 HydrophobicContact CE2-CB 4.37Å; Y129-R135 HydrophobicContact CE2-CG 4.31Å; Y129-R135 WeakPolarHBondContact OH-CG 3.38Å; Y129-L144 PolarHBondContact OH-O 2.9Å; Y129-R145 VanDerWaalsContact CE2-C 3.41Å; Y129-R145 WeakPolarHBondContact CE2-O 3.3Å; Y129-N147 WeakPolarHBondContact CD1-OD1 3.45Å; Y129-N147 HydrophobicContact CE1-CB 3.93Å; Y129-N147 VanDerWaalsContact CE1-CG 3.48Å; Y129-N147 WeakPolarHBondContact CE1-OD1 3.39Å
130S90.2Very high95.2Very high71 Ų7177 Ų7750%0.49742%0.422SS..  trans-70.4158.417462.50000111.3N132 E133S130-N132 PolarHBondContact O-N 3.34Å; S130-E133 PolarHBondContact N-OE2 3.35Å; S130-E133 VanDerWaalsContact N-OE2 3.15Å; S130-E133 WeakPolarHBondContact O-CB 3.49Å; S130-E133 PolarHBondContact O-N 3.32Å; S130-E133 WeakPolarHBondContact OG-CB 3.4Å; S130-E133 PolarHBondContact OG-OE2 3.01Å
131Q86Confident95.2Very high198 Ų19878 Ų7893%0.92542%0.423SS*.THydrogen-bonded Turntrans-54.4-30.9-172.1-82.5-173.7-5.700114.5
132N88.1Confident95.2Very high164 Ų16477.1 Ų77.188%0.87742%0.416SS*.THydrogen-bonded Turntrans-104.29.3-177.2-63.2-34.8000113.1S130S130-N132 PolarHBondContact O-N 3.34Å
133E90.9Very high95.1Very high71 Ų7179.4 Ų79.433%0.33242%0.419SS..PPolyproline II helixtrans-102.9119.4-175.2-176.9169.3-145.800110.8Y129 S130 N147Y129-E133 HydrophobicContact CD1-CG 4.08Å; S130-E133 PolarHBondContact N-OE2 3.35Å; S130-E133 VanDerWaalsContact N-OE2 3.15Å; S130-E133 WeakPolarHBondContact O-CB 3.49Å; S130-E133 PolarHBondContact O-N 3.32Å; S130-E133 WeakPolarHBondContact OG-CB 3.4Å; S130-E133 PolarHBondContact OG-OE2 3.01Å; E133-N147 VanDerWaalsContact CD-ND2 3.33Å; E133-N147 VanDerWaalsContact OE1-CG 3.27Å; E133-N147 PolarHBondContact OE1-ND2 3.13Å; E133-N147 PolarHBondContact OE1-OD1 3.02Å; E133-N147 PolarHBondContact OE2-OD1 3.18Å
134K88.8Confident95.1Very high154 Ų15477.1 Ų77.167%0.6741%0.406SS*.PPolyproline II helixtrans-84.8133.6173.6-163.8-167.8173.1-160.70109.1S136 D137K134-S136 PolarHBondContact O-N 3.21Å; K134-D137 IonicContact NZ-OD1 3.81Å; K134-D137 IonicContact NZ-OD2 2.73Å; K134-D137 PolarHBondContact NZ-OD2 3.44Å
135R94.9Very high95.1Very high94 Ų9477.7 Ų77.736%0.35541%0.405SS..PPolyproline II helixtrans-56.6138.6166.1-173.3177.4-54.4177.7-2.6110.1Y129 K142 L144Y129-R135 HydrophobicContact CE1-CB 4.11Å; Y129-R135 HydrophobicContact CE1-CG 4.21Å; Y129-R135 HydrophobicContact CE2-CB 4.37Å; Y129-R135 HydrophobicContact CE2-CG 4.31Å; Y129-R135 WeakPolarHBondContact OH-CG 3.38Å; R135-K142 WeakPolarHBondContact CD-O 3.24Å; R135-K142 PolarHBondContact NH1-O 2.89Å; R135-L144 WeakPolarHBondContact CD-O 3.34Å; R135-L144 PolarHBondContact NE-O 3.02Å
136S96Very high95.1Very high48 Ų4875.3 Ų75.334%0.33639%0.392SS..PPolyproline II helixtrans-62.9139.5176.5-1790000111.5K134 A138 K142K134-S136 PolarHBondContact O-N 3.21Å; S136-A138 VanDerWaalsContact C-N 3.3Å; S136-A138 WeakPolarHBondContact OG-CB 3.3Å; S136-A138 PolarHBondContact OG-N 2.97Å; S136-K142 WeakPolarHBondContact O-CA 3.23Å; S136-K142 WeakPolarHBondContact O-CB 3.15Å
137D96.4Very high95.1Very high120 Ų12072.3 Ų72.364%0.64237%0.372SS*.  trans-85.9-3.2172.8-64-50.5000112.3K134K134-D137 IonicContact NZ-OD1 3.81Å; K134-D137 IonicContact NZ-OD2 2.73Å; K134-D137 PolarHBondContact NZ-OD2 3.44Å
138A97.2Very high95.1Very high48 Ų4874.6 Ų74.640%0.39737%0.369SS..SBendtrans-61.2139178.300000111.1S136 A140 L141 K142S136-A138 VanDerWaalsContact C-N 3.3Å; S136-A138 WeakPolarHBondContact OG-CB 3.3Å; S136-A138 PolarHBondContact OG-N 2.97Å; A138-A140 VanDerWaalsContact C-N 3.26Å; A138-A140 PolarHBondContact O-N 2.7Å; A138-L141 HydrophobicContact CB-CB 4.41Å; A138-L141 HydrophobicContact CB-CG 4.42Å; A138-L141 PolarHBondContact O-N 2.66Å; A138-K142 WeakPolarHBondContact O-CB 3.28Å; A138-K142 PolarHBondContact O-N 2.75Å
139V96.8Very high95.2Very high76 Ų7678.4 Ų78.446%0.46139%0.387SS..THydrogen-bonded Turntrans-52.5-43.8-174.6174.50000112.3N105 C108 L141N105-V139 HydrophobicContact CB-CG1 4.4Å; C108-V139 HydrophobicContact CB-CG1 3.9Å; V139-L141 VanDerWaalsContact C-N 3.31Å; V139-L141 PolarHBondContact O-N 2.87Å
140A96.9Very high95.3Very high10 Ų1076.2 Ų76.28%0.08338%0.378CS..THydrogen-bonded Turntrans-68.6-25.217800000114H77 M78 L81 N105 C108 A138H77-A140 PolarHBondContact CD2-O 3.08Å; H77-A140 PolarHBondContact NE2-O 2.8Å; M78-A140 HydrophobicContact SD-CB 4.06Å; L81-A140 HydrophobicContact CD1-CB 4.22Å; N105-A140 WeakPolarHBondContact OD1-CB 3.42Å; C108-A140 VanDerWaalsContact SG-CA 3.5Å; A138-A140 VanDerWaalsContact C-N 3.26Å; A138-A140 PolarHBondContact O-N 2.7Å
141L97.7Very high95.7Very high37 Ų3777.9 Ų77.919%0.19438%0.378CS..THydrogen-bonded Turntrans-112.7-18.5-166.6-54.9-175.4000113.9V74 M78 A138 V139 Y143 L144V74-L141 HydrophobicContact CG1-CD1 4.18Å; V74-L141 HydrophobicContact CG1-CD2 3.77Å; M78-L141 HydrophobicContact SD-CD2 4.25Å; A138-L141 HydrophobicContact CB-CB 4.41Å; A138-L141 HydrophobicContact CB-CG 4.42Å; A138-L141 PolarHBondContact O-N 2.66Å; V139-L141 VanDerWaalsContact C-N 3.31Å; V139-L141 PolarHBondContact O-N 2.87Å; L141-Y143 PolarHBondContact O-N 3.5Å; L141-Y143 VanDerWaalsContact O-N 3.07Å; L141-L144 HydrophobicContact CD2-CD1 3.92Å; L141-L144 WeakPolarHBondContact O-CB 3.43Å; L141-L144 PolarHBondContact O-N 2.92Å
142K97.3Very high96.3Very high78 Ų7870.4 Ų70.434%0.33935%0.347SS..THydrogen-bonded Turntrans-63.9-16.9-170.766.1177177.7172.40115.9R135 S136 A138R135-K142 WeakPolarHBondContact CD-O 3.24Å; R135-K142 PolarHBondContact NH1-O 2.89Å; S136-K142 WeakPolarHBondContact O-CA 3.23Å; S136-K142 WeakPolarHBondContact O-CB 3.15Å; A138-K142 WeakPolarHBondContact O-CB 3.28Å; A138-K142 PolarHBondContact O-N 2.75Å
143Y97.6Very high96.8Very high124 Ų12472.8 Ų72.849%0.48634%0.343SS..THydrogen-bonded Turntrans-106.31.1177.7-59-54.1000114P112 L141P112-Y143 WeakPolarHBondContact O-CD2 3.46Å; P112-Y143 WeakPolarHBondContact O-CE2 3.07Å; L141-Y143 PolarHBondContact O-N 3.5Å; L141-Y143 VanDerWaalsContact O-N 3.07Å
144L98.2Very high97.1Very high2 Ų270.5 Ų70.51%0.0133%0.333CS..  trans-62.5141.9167.5-75.2171.4000110.1V74 H77 V115 Y129 R135 L141V74-L144 HydrophobicContact CG2-CD1 4.18Å; H77-L144 HydrophobicContact CB-CD1 4.12Å; H77-L144 HydrophobicContact CB-CD2 3.9Å; V115-L144 HydrophobicContact CG1-CD2 4.33Å; Y129-L144 PolarHBondContact OH-O 2.9Å; R135-L144 WeakPolarHBondContact CD-O 3.34Å; R135-L144 PolarHBondContact NE-O 3.02Å; L141-L144 HydrophobicContact CD2-CD1 3.92Å; L141-L144 WeakPolarHBondContact O-CB 3.43Å; L141-L144 PolarHBondContact O-N 2.92Å
145R98.1Very high97.6Very high87 Ų8765.1 Ų65.133%0.32831%0.313SS..SBendtrans-95.4-10174.8-59.2-167.6-176.5-89.82.3112.8H117 H124 G128 Y129H117-R145 HydrophobicContact CB-CB 3.63Å; H117-R145 HydrophobicContact CB-CG 4.01Å; H124-R145 WeakPolarHBondContact CD2-CD 3.45Å; H124-R145 PolarHBondContact CD2-NE 2.95Å; H124-R145 VanDerWaalsContact CE1-CZ 3.41Å; H124-R145 PolarHBondContact CE1-NH2 3.47Å; H124-R145 VanDerWaalsContact NE2-CZ 3.32Å; H124-R145 PolarHBondContact NE2-NE 3.36Å; H124-R145 PolarHBondContact NE2-NH2 3.46Å; G128-R145 WeakPolarHBondContact CA-O 3.44Å; Y129-R145 VanDerWaalsContact CE2-C 3.41Å; Y129-R145 WeakPolarHBondContact CE2-O 3.3Å
146T98Very high97.8Very high2 Ų260.7 Ų60.71%0.01230%0.297CS..  trans-148.6152.9169.1-174.60000110.3W73 G128 R148W73-T146 HydrophobicContact CB-CG2 4.35Å; W73-T146 VanDerWaalsContact CD1-O 3.29Å; W73-T146 HydrophobicContact CD2-CG2 4.41Å; W73-T146 HydrophobicContact CG-CG2 3.8Å; G128-T146 VanDerWaalsContact O-CA 3.23Å; G128-T146 WeakPolarHBondContact O-CA 3.23Å; G128-T146 VanDerWaalsContact O-CB 3.26Å; G128-T146 WeakPolarHBondContact O-CB 3.31Å; G128-T146 PolarHBondContact O-OG1 2.89Å; T146-R148 WeakPolarHBondContact OG1-CB 2.79Å; T146-R148 VanDerWaalsContact OG1-CG 3.31Å; T146-R148 WeakPolarHBondContact OG1-CG 3.39Å; T146-R148 PolarHBondContact OG1-N 3.28Å
147N97.1Very high97.9Very high41 Ų4158.4 Ų58.422%0.21928%0.281CS..  trans-12317169.165.9-17.4000111.8V74 Y129 E133V74-N147 HydrophobicContact CG2-CB 3.74Å; Y129-N147 WeakPolarHBondContact CD1-OD1 3.45Å; Y129-N147 HydrophobicContact CE1-CB 3.93Å; Y129-N147 VanDerWaalsContact CE1-CG 3.48Å; Y129-N147 WeakPolarHBondContact CE1-OD1 3.39Å; E133-N147 VanDerWaalsContact CD-ND2 3.33Å; E133-N147 VanDerWaalsContact OE1-CG 3.27Å; E133-N147 PolarHBondContact OE1-ND2 3.13Å; E133-N147 PolarHBondContact OE1-OD1 3.02Å; E133-N147 PolarHBondContact OE2-OD1 3.18Å
148R97.3Very high98.1Very high87 Ų8752.7 Ų52.733%0.32825%0.25SS..PPolyproline II helixtrans-69.1157.5-172.2-68.8-179.572.8160.61112.2W73 G127 T146W73-R148 WeakPolarHBondContact CB-O 3.48Å; W73-R148 PolarHBondContact N-O 3.27Å; W73-R148 VanDerWaalsContact N-O 3.12Å; G127-R148 VanDerWaalsContact O-CD 3.28Å; G127-R148 WeakPolarHBondContact O-CD 3.49Å; G127-R148 PolarHBondContact O-NH1 3.47Å; T146-R148 WeakPolarHBondContact OG1-CB 2.79Å; T146-R148 VanDerWaalsContact OG1-CG 3.31Å; T146-R148 WeakPolarHBondContact OG1-CG 3.39Å; T146-R148 PolarHBondContact OG1-N 3.28Å
149I98.2Very high98.2Very high87 Ų8751.5 Ų51.545%0.44624%0.236SC..BIsolated β-bridgetrans-76.5130.2160.2-56.3-53.3000108G70 A71G70-I149 VanDerWaalsContact CA-CG2 3.5Å; G70-I149 WeakPolarHBondContact O-CG2 3.47Å; A71-I149 CarbonylContact O-C 3.59Å; A71-I149 WeakPolarHBondContact O-CA 3.37Å
150L98.8Very high98.3Very high2 Ų247.9 Ų47.91%0.0121%0.214CC..PPolyproline II helixtrans-66.1137.1-177.9-61.8-171.6000110.9A67 P69 G70 A71 W73 L76 M154 L156 I204A67-L150 HydrophobicContact CB-CD1 4.18Å; P69-L150 WeakPolarHBondContact CA-O 3.42Å; G70-L150 PolarHBondContact N-O 2.83Å; A71-L150 HydrophobicContact CB-CD1 4.21Å; A71-L150 HydrophobicContact CB-CG 4.49Å; A71-L150 PolarHBondContact O-N 3.14Å; W73-L150 HydrophobicContact CE3-CD1 4.04Å; W73-L150 HydrophobicContact CE3-CD2 3.79Å; W73-L150 HydrophobicContact CE3-CG 4.3Å; W73-L150 HydrophobicContact CZ3-CD1 4.23Å; W73-L150 HydrophobicContact CZ3-CD2 4.39Å; L76-L150 HydrophobicContact CD1-CD1 3.77Å; L150-M154 HydrophobicContact CD2-SD 4.33Å; L150-L156 HydrophobicContact CD2-CD1 4.04Å; L150-L156 HydrophobicContact CD2-CD2 3.81Å; L150-I204 HydrophobicContact CB-CG1 4.37Å; L150-I204 HydrophobicContact CD1-CD1 3.82Å; L150-I204 HydrophobicContact CD1-CG1 4.32Å
151Q98.7Very high98.3Very high105 Ų10547.4 Ų47.449%0.49121%0.21SC..  trans-128.3152.8177.5-65.2179.5-15.300109.3M154 I204Q151-M154 HydrophobicContact CB-CE 4.05Å; Q151-M154 HydrophobicContact CB-CG 4.48Å; Q151-M154 HydrophobicContact CB-SD 4.28Å; Q151-M154 HydrophobicContact CG-CE 4.21Å; Q151-M154 PolarHBondContact N-SD 2.91Å; Q151-M154 VanDerWaalsContact N-SD 3.44Å; Q151-M154 WeakPolarHBondContact O-CB 2.93Å; Q151-M154 WeakPolarHBondContact O-CG 3.42Å; Q151-M154 PolarHBondContact O-N 2.89Å; Q151-I204 WeakPolarHBondContact O-CB 3.45Å; Q151-I204 WeakPolarHBondContact O-CG2 3.16Å
152P98.8Very high98.4Very high41 Ų4145.6 Ų45.627%0.26620%0.201SC..THydrogen-bonded Turntrans-48.8144.6173.5-25.533.5000111.6P69 M154 E206P69-P152 HydrophobicContact CB-CG 4.33Å; P69-P152 HydrophobicContact CG-CG 3.81Å; P152-M154 PolarHBondContact O-N 2.85Å; P152-E206 WeakPolarHBondContact CB-OE1 3Å; P152-E206 WeakPolarHBondContact CG-OE2 3.31Å
153R98.5Very high98.5Very high214 Ų21442.6 Ų42.681%0.80819%0.187SC*.THydrogen-bonded Turntrans72.6-2.2-179.7-47.2165.556.5115.84.5116.2V155 I204R153-V155 PolarHBondContact O-N 2.82Å; R153-I204 PolarHBondContact N-O 3.22Å
154M98.8Very high98.5Very high24 Ų2437 Ų3712%0.11817%0.166CC..  trans-63.8134.8166-70.9-178.1171.200109.4L118 L150 Q151 P152 L156 V203 I204L118-M154 HydrophobicContact CD2-CB 4.33Å; L118-M154 HydrophobicContact CD2-CG 4.42Å; L118-M154 HydrophobicContact CD2-SD 4.49Å; L150-M154 HydrophobicContact CD2-SD 4.33Å; Q151-M154 HydrophobicContact CB-CE 4.05Å; Q151-M154 HydrophobicContact CB-CG 4.48Å; Q151-M154 HydrophobicContact CB-SD 4.28Å; Q151-M154 HydrophobicContact CG-CE 4.21Å; Q151-M154 PolarHBondContact N-SD 2.91Å; Q151-M154 VanDerWaalsContact N-SD 3.44Å; Q151-M154 WeakPolarHBondContact O-CB 2.93Å; Q151-M154 WeakPolarHBondContact O-CG 3.42Å; Q151-M154 PolarHBondContact O-N 2.89Å; P152-M154 PolarHBondContact O-N 2.85Å; M154-L156 HydrophobicContact CB-CD1 3.86Å; M154-V203 WeakPolarHBondContact O-CA 3.36Å; M154-I204 HydrophobicContact CB-CG1 4.13Å; M154-I204 PolarHBondContact O-N 2.81Å
155V98.8Very high98.5Very high41 Ų4139.8 Ų39.825%0.24818%0.18CC..EExtended strand (participates in β ladder)trans-109128.3173.8179.20000107.8L118 M119 R153 I202 V203 L212L118-V155 WeakPolarHBondContact CA-O 3.23Å; M119-V155 HydrophobicContact CB-CG1 4.37Å; M119-V155 HydrophobicContact CE-CG1 3.87Å; M119-V155 PolarHBondContact N-O 3.32Å; M119-V155 WeakPolarHBondContact O-CB 3.3Å; R153-V155 PolarHBondContact O-N 2.82Å; V155-I202 CarbonylContact C-O 3.41Å; V155-I202 VanDerWaalsContact CA-O 3.3Å; V155-I202 WeakPolarHBondContact CA-O 3Å; V155-V203 HydrophobicContact CG2-CB 4.16Å; V155-V203 HydrophobicContact CG2-CG2 3.94Å; V155-L212 HydrophobicContact CG1-CD1 4.38Å
156L98.9Very high98.5Very high1 Ų139.3 Ų39.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-135.9154.6-175.6-54.1100.4000112.3W73 H117 L118 L150 M154 N201 I202 I204W73-L156 HydrophobicContact CD2-CD2 4Å; W73-L156 HydrophobicContact CE3-CD2 3.84Å; W73-L156 HydrophobicContact CH2-CB 4.01Å; W73-L156 HydrophobicContact CH2-CD2 3.79Å; W73-L156 HydrophobicContact CH2-CG 4.45Å; W73-L156 HydrophobicContact CZ2-CB 4.47Å; W73-L156 HydrophobicContact CZ2-CD2 3.94Å; W73-L156 HydrophobicContact CZ3-CB 4.49Å; W73-L156 HydrophobicContact CZ3-CD2 3.75Å; H117-L156 CarbonylContact O-C 3.48Å; H117-L156 WeakPolarHBondContact O-CA 3.45Å; H117-L156 WeakPolarHBondContact O-CB 3.01Å; L118-L156 HydrophobicContact CD2-CD2 4.13Å; L118-L156 HydrophobicContact CD2-CG 4.12Å; L150-L156 HydrophobicContact CD2-CD1 4.04Å; L150-L156 HydrophobicContact CD2-CD2 3.81Å; M154-L156 HydrophobicContact CB-CD1 3.86Å; L156-N201 WeakPolarHBondContact O-CA 3.21Å; L156-I202 HydrophobicContact CB-CG1 4.21Å; L156-I202 PolarHBondContact N-O 3.14Å; L156-I202 PolarHBondContact O-N 3.3Å; L156-I204 HydrophobicContact CD1-CD1 3.95Å; L156-I204 HydrophobicContact CD1-CG1 3.66Å
157T98.9Very high98.5Very high0 Ų046.1 Ų46.10%021%0.213CC..EExtended strand (participates in β ladder)trans-82.2144.5158.561.30000110D34 W73 G116 H117 M119 E199 D200D34-T157 HydrophobicContact CB-CG2 3.96Å; W73-T157 VanDerWaalsContact CH2-O 3.32Å; W73-T157 WeakPolarHBondContact CH2-O 3.3Å; W73-T157 WeakPolarHBondContact CZ2-O 3.48Å; G116-T157 WeakPolarHBondContact CA-O 3.37Å; G116-T157 VanDerWaalsContact CA-OG1 3.27Å; G116-T157 WeakPolarHBondContact CA-OG1 3.32Å; H117-T157 PolarHBondContact CD2-OG1 3.13Å; H117-T157 WeakPolarHBondContact CE1-CG2 3.37Å; H117-T157 PolarHBondContact N-OG1 3.15Å; H117-T157 PolarHBondContact NE2-OG1 3.48Å; H117-T157 PolarHBondContact O-N 2.98Å; M119-T157 HydrophobicContact SD-CG2 4.33Å; T157-E199 WeakPolarHBondContact CB-OE1 3.31Å; T157-E199 VanDerWaalsContact CG2-OE1 3.28Å; T157-E199 WeakPolarHBondContact CG2-OE1 3.36Å; T157-D200 CarbonylContact C-O 3.51Å; T157-D200 WeakPolarHBondContact CA-O 3.38Å
158V98.9Very high98.5Very high0 Ų046.4 Ų46.40%022%0.215CC..EExtended strand (participates in β ladder)trans-121.699165.1177.90000107.4N60 V63 I64 W73 P160 E199 D200 I202N60-V158 PolarHBondContact ND2-O 3.22Å; N60-V158 VanDerWaalsContact ND2-O 3.08Å; V63-V158 HydrophobicContact CB-CG1 3.73Å; V63-V158 HydrophobicContact CG1-CB 4.38Å; V63-V158 HydrophobicContact CG1-CG1 3.47Å; V63-V158 VanDerWaalsContact CG1-CG1 3.47Å; V63-V158 HydrophobicContact CG1-CG2 3.96Å; I64-V158 HydrophobicContact CG1-CB 4.05Å; I64-V158 HydrophobicContact CG1-CG1 3.95Å; I64-V158 HydrophobicContact CG1-CG2 4Å; W73-V158 HydrophobicContact CH2-CG2 4.03Å; V158-P160 VanDerWaalsContact C-CD 3.48Å; V158-E199 VanDerWaalsContact O-CA 3.27Å; V158-E199 WeakPolarHBondContact O-CA 3.26Å; V158-D200 PolarHBondContact N-O 3.45Å; V158-D200 PolarHBondContact O-N 3.34Å; V158-D200 VanDerWaalsContact O-N 3.1Å; V158-I202 HydrophobicContact CG2-CD1 3.6Å; V158-I202 HydrophobicContact CG2-CG1 4.03Å; V158-I202 HydrophobicContact CG2-CG2 4.37Å
159E98.9Very high98.6Very high22 Ų2242.3 Ų42.310%0.10320%0.199CC..  trans-129.144-163.157.8158.4146.900114.1H113 V115 G116 H117 R197 I198 E199H113-E159 PolarHBondContact CE1-O 3.2Å; H113-E159 VanDerWaalsContact CE1-O 3.23Å; H113-E159 IonicContact CE1-OE2 3.92Å; H113-E159 IonicContact ND1-OE2 3.89Å; V115-E159 WeakPolarHBondContact O-CG 3.45Å; V115-E159 PolarHBondContact O-N 3.48Å; G116-E159 WeakPolarHBondContact CA-OE1 3.35Å; H117-E159 IonicContact CD2-OE1 3.18Å; H117-E159 PolarHBondContact CD2-OE1 3.28Å; H117-E159 IonicContact NE2-OE1 3.59Å; E159-R197 HydrophobicContact CB-CG 4.37Å; E159-I198 VanDerWaalsContact CA-O 3.32Å; E159-I198 WeakPolarHBondContact CA-O 3.41Å; E159-E199 HydrophobicContact CB-CB 3.53Å; E159-E199 HydrophobicContact CB-CG 3.66Å
160P98.9Very high98.6Very high0 Ų042 Ų420%020%0.198CC..  trans-56.6150.4178.227.2-33.8000111.2V56 A59 N60 A80 M111 V115 V158 I198V56-P160 HydrophobicContact CG1-CG 4.37Å; V56-P160 WeakPolarHBondContact CG1-O 3.27Å; A59-P160 HydrophobicContact CB-CB 3.95Å; A59-P160 HydrophobicContact CB-CG 4Å; N60-P160 HydrophobicContact CB-CG 3.62Å; A80-P160 HydrophobicContact CB-CB 4.18Å; M111-P160 HydrophobicContact SD-CB 4.03Å; V115-P160 HydrophobicContact CG2-CB 4.43Å; V158-P160 VanDerWaalsContact C-CD 3.48Å; P160-I198 WeakPolarHBondContact CD-O 3.42Å; P160-I198 PolarHBondContact O-N 3.24Å
161G98.9Very high98.6Very high0 Ų046.6 Ų46.60%022%0.22CC..EExtended strand (participates in β ladder)trans-148.1156.517900000113I84 M111 V196I84-G161 WeakPolarHBondContact CD1-O 3.43Å; M111-G161 WeakPolarHBondContact CB-O 3.3Å; M111-G161 WeakPolarHBondContact CG-O 3.44Å; G161-V196 CarbonylContact C-O 3.52Å; G161-V196 WeakPolarHBondContact CA-O 3.27Å
162C98.9Very high98.5Very high0 Ų041.7 Ų41.70%020%0.197CC..EExtended strand (participates in β ladder)trans-133.2115.8177.3-172.60000109I52 V56 I84 F110 G195 V196I52-C162 HydrophobicContact CG2-CB 3.81Å; V56-C162 HydrophobicContact CG2-CB 3.51Å; I84-C162 HydrophobicContact CG2-CB 4.4Å; F110-C162 CarbonylContact O-C 3.5Å; F110-C162 VanDerWaalsContact O-CA 3.3Å; F110-C162 WeakPolarHBondContact O-CA 3.42Å; C162-G195 CarbonylContact O-C 3.51Å; C162-G195 WeakPolarHBondContact O-CA 3.29Å; C162-V196 PolarHBondContact N-O 2.85Å; C162-V196 PolarHBondContact O-N 2.77Å
163Y98.8Very high98.5Very high14 Ų1442 Ų426%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-127.1151.3-173.8-41.6-93000111.3L21 F110 H113 G194 R197L21-Y163 HydrophobicContact CD1-CE1 3.98Å; F110-Y163 VanDerWaalsContact O-CD2 3.23Å; F110-Y163 WeakPolarHBondContact O-CD2 3.27Å; F110-Y163 PolarHBondContact O-N 3.32Å; H113-Y163 AromaticContact CD2-CE2 3.51Å; H113-Y163 AromaticContact CD2-CZ 3.96Å; H113-Y163 AromaticContact NE2-CE2 3.15Å; H113-Y163 WeakPolarHBondContact NE2-CE2 3.15Å; H113-Y163 AromaticContact NE2-CZ 3.4Å; H113-Y163 PolarHBondContact NE2-OH 3.31Å; Y163-G194 WeakPolarHBondContact CA-O 3.5Å; Y163-R197 WeakPolarHBondContact OH-CB 3.46Å; Y163-R197 WeakPolarHBondContact OH-CD 3.48Å; Y163-R197 PolarHBondContact OH-NH1 3.38Å
164F98.4Very high98.5Very high8 Ų836.3 Ų36.34%0.03519%0.189CC..  trans-110.882.6174.6-66.5-90.2000108.6I52 L93 F110 L169 Y190 F193 G194I52-F164 HydrophobicContact CD1-CE2 4Å; I52-F164 HydrophobicContact CD1-CZ 3.83Å; I52-F164 HydrophobicContact CG1-CE2 4.06Å; I52-F164 HydrophobicContact CG1-CZ 4.34Å; I52-F164 HydrophobicContact CG2-CE2 4.43Å; L93-F164 HydrophobicContact CD1-CE1 3.56Å; L93-F164 HydrophobicContact CD1-CZ 3.67Å; F110-F164 HydrophobicContact CD1-CD1 4.36Å; F110-F164 HydrophobicContact CD1-CE1 4.1Å; F110-F164 HydrophobicContact CD1-CZ 4.48Å; F110-F164 HydrophobicContact CE1-CD1 4.02Å; F110-F164 AromaticContact CE1-CE1 3.7Å; F110-F164 HydrophobicContact CE1-CE1 3.7Å; F110-F164 HydrophobicContact CE1-CZ 4.43Å; F164-L169 HydrophobicContact CB-CD1 4.12Å; F164-L169 HydrophobicContact CD1-CD1 4.27Å; F164-Y190 WeakPolarHBondContact CB-O 3.26Å; F164-Y190 HydrophobicContact CD1-CG 4.32Å; F164-Y190 HydrophobicContact CD2-CD1 4.49Å; F164-Y190 HydrophobicContact CE1-CD1 4.15Å; F164-Y190 AromaticContact CE1-CG 3.79Å; F164-Y190 HydrophobicContact CE1-CG 3.79Å; F164-Y190 AromaticContact CE2-CD1 3.8Å; F164-Y190 HydrophobicContact CE2-CD1 3.8Å; F164-Y190 HydrophobicContact CE2-CG 4.23Å; F164-Y190 WeakPolarHBondContact CG-O 3.35Å; F164-Y190 AromaticContact CZ-CD1 3.59Å; F164-Y190 HydrophobicContact CZ-CD1 3.59Å; F164-Y190 HydrophobicContact CZ-CE1 4.39Å; F164-Y190 AromaticContact CZ-CG 3.74Å; F164-Y190 HydrophobicContact CZ-CG 3.74Å; F164-F193 HydrophobicContact CD2-CB 3.81Å; F164-F193 AromaticContact CD2-CD1 3.6Å; F164-F193 HydrophobicContact CD2-CD1 3.6Å; F164-F193 HydrophobicContact CD2-CE1 4.48Å; F164-F193 AromaticContact CD2-CG 3.92Å; F164-F193 HydrophobicContact CD2-CG 3.92Å; F164-F193 HydrophobicContact CE2-CB 4.38Å; F164-F193 AromaticContact CE2-CD1 3.77Å; F164-F193 HydrophobicContact CE2-CD1 3.77Å; F164-F193 HydrophobicContact CE2-CE1 4.28Å; F164-F193 HydrophobicContact CE2-CG 4.1Å; F164-F193 HydrophobicContact CG-CB 4.33Å; F164-G194 PolarHBondContact N-O 3.08Å
165I98.2Very high98.4Very high59 Ų5938.1 Ų38.130%0.30320%0.2SC..  trans-94.2111.4-176.2-57.8178.7000108.6P112 K167 L168 L169P112-I165 HydrophobicContact CG-CD1 3.92Å; I165-K167 VanDerWaalsContact C-N 3.29Å; I165-K167 PolarHBondContact O-N 3.12Å; I165-K167 VanDerWaalsContact O-N 3.17Å; I165-L168 HydrophobicContact CB-CB 4.34Å; I165-L168 HydrophobicContact CB-CD1 4.16Å; I165-L168 HydrophobicContact CB-CG 4.19Å; I165-L168 HydrophobicContact CD1-CD1 3.97Å; I165-L168 HydrophobicContact CG2-CD1 4.38Å; I165-L168 HydrophobicContact CG2-CG 4.08Å; I165-L168 PolarHBondContact O-N 2.96Å; I165-L169 WeakPolarHBondContact O-CG 3.22Å; I165-L169 PolarHBondContact O-N 3.49Å
166D97.9Very high98.4Very high77 Ų7740.9 Ų40.941%0.41222%0.218SC..Hα-helixtrans-48.1-49-174.9-79-39.2000112.9L168 L169 D170 R191D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 2.9Å; D166-L169 PolarHBondContact O-N 3.27Å; D166-D170 WeakPolarHBondContact O-CB 3.39Å; D166-D170 PolarHBondContact O-N 3.38Å; D166-R191 WeakPolarHBondContact OD1-CD 3.16Å; D166-R191 IonicContact OD1-CZ 3.5Å; D166-R191 IonicContact OD1-NH1 3.39Å; D166-R191 PolarHBondContact OD1-NH1 3.24Å
167K97.8Very high98.3Very high145 Ų14546.6 Ų46.663%0.6325%0.245SC*.Hα-helixtrans-55.4-46178.8-178.9175.6176.1178.10113I165 E171I165-K167 VanDerWaalsContact C-N 3.29Å; I165-K167 PolarHBondContact O-N 3.12Å; I165-K167 VanDerWaalsContact O-N 3.17Å; K167-E171 WeakPolarHBondContact CE-OE1 3.33Å; K167-E171 WeakPolarHBondContact O-CB 3.49Å; K167-E171 VanDerWaalsContact O-CG 3.24Å; K167-E171 WeakPolarHBondContact O-CG 3.48Å; K167-E171 PolarHBondContact O-N 2.78Å
168L97.9Very high98.3Very high47 Ų4748.7 Ų48.725%0.24626%0.255CS..Hα-helixtrans-71.9-36.8-178.8-61.5-178.1000111.5I109 P112 I165 D166 A172I109-L168 HydrophobicContact CG2-CB 4.17Å; P112-L168 HydrophobicContact CB-CD1 3.72Å; P112-L168 HydrophobicContact CG-CD1 3.93Å; I165-L168 HydrophobicContact CB-CB 4.34Å; I165-L168 HydrophobicContact CB-CD1 4.16Å; I165-L168 HydrophobicContact CB-CG 4.19Å; I165-L168 HydrophobicContact CD1-CD1 3.97Å; I165-L168 HydrophobicContact CG2-CD1 4.38Å; I165-L168 HydrophobicContact CG2-CG 4.08Å; I165-L168 PolarHBondContact O-N 2.96Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 2.9Å; L168-A172 VanDerWaalsContact O-CB 3.31Å; L168-A172 WeakPolarHBondContact O-CB 3.42Å; L168-A172 PolarHBondContact O-N 3.06Å
169L98.3Very high98.2Very high1 Ų150 Ų501%0.00527%0.266CS..Hα-helixtrans-66.4-43.7176.2-67173.6000111.2I109 F110 F164 I165 D166 A172 L173 I187I109-L169 HydrophobicContact CG2-CD2 3.89Å; F110-L169 HydrophobicContact CE1-CD2 3.88Å; F110-L169 HydrophobicContact CZ-CD2 4.1Å; F164-L169 HydrophobicContact CB-CD1 4.12Å; F164-L169 HydrophobicContact CD1-CD1 4.27Å; I165-L169 WeakPolarHBondContact O-CG 3.22Å; I165-L169 PolarHBondContact O-N 3.49Å; D166-L169 PolarHBondContact O-N 3.27Å; L169-A172 PolarHBondContact O-N 2.94Å; L169-L173 VanDerWaalsContact O-CB 3.31Å; L169-L173 WeakPolarHBondContact O-CB 3.45Å; L169-L173 VanDerWaalsContact O-CG 3.23Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.43Å; L169-I187 HydrophobicContact CD1-CG2 4.04Å; L169-I187 HydrophobicContact CD2-CG2 4.04Å
170D98.3Very high98.2Very high80 Ų8054 Ų5443%0.42828%0.283SS..Hα-helixtrans-65.8-45.6179.3-67.1-16.8000111.2D166 A172 L173 S174 R191D166-D170 WeakPolarHBondContact O-CB 3.39Å; D166-D170 PolarHBondContact O-N 3.38Å; D170-A172 VanDerWaalsContact C-N 3.31Å; D170-A172 PolarHBondContact O-N 3.14Å; D170-L173 PolarHBondContact O-N 3.27Å; D170-S174 VanDerWaalsContact O-CB 3.3Å; D170-S174 WeakPolarHBondContact O-CB 3.18Å; D170-S174 PolarHBondContact O-N 3.03Å; D170-S174 PolarHBondContact O-OG 2.9Å; D170-R191 IonicContact OD1-CZ 3.95Å; D170-R191 IonicContact OD1-NH1 2.79Å; D170-R191 PolarHBondContact OD1-NH1 2.86Å; D170-R191 IonicContact OD1-NH2 2.83Å; D170-R191 PolarHBondContact OD1-NH2 3.2Å; D170-R191 IonicContact OD2-NH1 3.76Å
171E98.2Very high98.2Very high99 Ų9955 Ų5546%0.46329%0.287SS..Hα-helixtrans-55.8-47.1173.2-76.7172.5-172.200110.7K167 S174 N175K167-E171 WeakPolarHBondContact CE-OE1 3.33Å; K167-E171 WeakPolarHBondContact O-CB 3.49Å; K167-E171 VanDerWaalsContact O-CG 3.24Å; K167-E171 WeakPolarHBondContact O-CG 3.48Å; K167-E171 PolarHBondContact O-N 2.78Å; E171-S174 PolarHBondContact O-N 3.44Å; E171-S174 PolarHBondContact O-OG 3.03Å; E171-N175 PolarHBondContact O-N 3.15Å
172A98.3Very high98.2Very high2 Ų255.1 Ų55.12%0.01729%0.288CS..Hα-helixtrans-69.2-38.6-179.800000113.7I109 L168 L169 D170 S174 N175 M178 A179 L182I109-A172 HydrophobicContact CD1-CB 3.66Å; I109-A172 HydrophobicContact CG1-CB 4.21Å; I109-A172 HydrophobicContact CG2-CB 4.47Å; L168-A172 VanDerWaalsContact O-CB 3.31Å; L168-A172 WeakPolarHBondContact O-CB 3.42Å; L168-A172 PolarHBondContact O-N 3.06Å; L169-A172 PolarHBondContact O-N 2.94Å; D170-A172 VanDerWaalsContact C-N 3.31Å; D170-A172 PolarHBondContact O-N 3.14Å; A172-S174 VanDerWaalsContact C-N 3.3Å; A172-N175 PolarHBondContact O-N 3.39Å; A172-M178 HydrophobicContact CB-CB 4.37Å; A172-M178 HydrophobicContact CB-CE 3.81Å; A172-M178 HydrophobicContact CB-SD 4.44Å; A172-A179 PolarHBondContact O-N 3.35Å; A172-L182 HydrophobicContact CB-CD1 3.72Å
173L98Very high98.1Very high48 Ų4857.5 Ų57.525%0.25130%0.301SS..Hα-helixtrans-70.4-27.1176.9-74.3168.9000112.5L169 D170 A179 L182 A184L169-L173 VanDerWaalsContact O-CB 3.31Å; L169-L173 WeakPolarHBondContact O-CB 3.45Å; L169-L173 VanDerWaalsContact O-CG 3.23Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.43Å; D170-L173 PolarHBondContact O-N 3.27Å; L173-A179 WeakPolarHBondContact O-CB 3.49Å; L173-L182 HydrophobicContact CD2-CB 3.9Å; L173-L182 HydrophobicContact CD2-CD1 3.92Å; L173-L182 HydrophobicContact CG-CD1 4.16Å; L173-A184 HydrophobicContact CD2-CB 3.78Å
174S98.1Very high98Very high94 Ų9459.5 Ų59.566%0.65732%0.32SS*.Hα-helixtrans-81.1-17.9175.973.50000113.8D170 E171 A172 P176D170-S174 VanDerWaalsContact O-CB 3.3Å; D170-S174 WeakPolarHBondContact O-CB 3.18Å; D170-S174 PolarHBondContact O-N 3.03Å; D170-S174 PolarHBondContact O-OG 2.9Å; E171-S174 PolarHBondContact O-N 3.44Å; E171-S174 PolarHBondContact O-OG 3.03Å; A172-S174 VanDerWaalsContact C-N 3.3Å; S174-P176 WeakPolarHBondContact O-CD 3.44Å
175N97.9Very high98Very high63 Ų6363.4 Ų63.434%0.33735%0.349SS..SBendtrans-92.3112.1178.3178.8-5.6000110.8E171 A172 E177 M178 A179E171-N175 PolarHBondContact O-N 3.15Å; A172-N175 PolarHBondContact O-N 3.39Å; N175-E177 PolarHBondContact O-N 3.09Å; N175-E177 VanDerWaalsContact O-N 3.12Å; N175-E177 PolarHBondContact OD1-N 3Å; N175-E177 VanDerWaalsContact OD1-N 3.08Å; N175-M178 HydrophobicContact CB-CB 4.3Å; N175-M178 HydrophobicContact CB-CG 4.41Å; N175-M178 HydrophobicContact CB-SD 4.4Å; N175-M178 PolarHBondContact O-N 2.97Å; N175-A179 VanDerWaalsContact O-CB 3.27Å; N175-A179 WeakPolarHBondContact O-CB 3.27Å; N175-A179 PolarHBondContact O-N 3.11Å
176P97.8Very high97.9Very high98 Ų9862.7 Ų62.764%0.63635%0.345SS*.Hα-helixtrans-55.4-33.5-177.8-26.835.8000114.7S174 M178 K180S174-P176 WeakPolarHBondContact O-CD 3.44Å; P176-M178 VanDerWaalsContact C-N 3.27Å; P176-M178 PolarHBondContact O-N 3.3Å; P176-K180 PolarHBondContact O-N 3.42Å
177E97.1Very high97.9Very high121 Ų12159 Ų5957%0.56533%0.326SS*.Hα-helixtrans-69-25.5179.2-68.3-54.7136.100113N175 K180 F181N175-E177 PolarHBondContact O-N 3.09Å; N175-E177 VanDerWaalsContact O-N 3.12Å; N175-E177 PolarHBondContact OD1-N 3Å; N175-E177 VanDerWaalsContact OD1-N 3.08Å; E177-K180 WeakPolarHBondContact O-CE 3.39Å; E177-K180 WeakPolarHBondContact O-CG 3.5Å; E177-K180 IonicContact OE2-NZ 2.72Å; E177-K180 PolarHBondContact OE2-NZ 2.79Å; E177-F181 WeakPolarHBondContact O-CD2 3.36Å; E177-F181 WeakPolarHBondContact O-CE2 3.34Å
178M98Very high97.8Very high44 Ų4455.6 Ų55.622%0.21732%0.32CS..Hα-helixtrans-99.4-40.6177.5-63.5177.671.900111.4M106 I109 A172 N175 P176 K180 F181M106-M178 HydrophobicContact CE-CB 4.48Å; M106-M178 HydrophobicContact SD-CB 4.18Å; M106-M178 HydrophobicContact SD-CE 4.27Å; M106-M178 HydrophobicContact SD-CG 4.35Å; I109-M178 HydrophobicContact CD1-CE 3.51Å; I109-M178 HydrophobicContact CG1-CE 3.7Å; A172-M178 HydrophobicContact CB-CB 4.37Å; A172-M178 HydrophobicContact CB-CE 3.81Å; A172-M178 HydrophobicContact CB-SD 4.44Å; N175-M178 HydrophobicContact CB-CB 4.3Å; N175-M178 HydrophobicContact CB-CG 4.41Å; N175-M178 HydrophobicContact CB-SD 4.4Å; N175-M178 PolarHBondContact O-N 2.97Å; P176-M178 VanDerWaalsContact C-N 3.27Å; P176-M178 PolarHBondContact O-N 3.3Å; M178-K180 PolarHBondContact O-N 3.08Å; M178-K180 VanDerWaalsContact O-N 3.15Å; M178-F181 WeakPolarHBondContact O-CB 3.27Å; M178-F181 PolarHBondContact O-N 3.03Å
179A98.3Very high97.7Very high28 Ų2861 Ų6123%0.23134%0.337CS..Hα-helixtrans-56.1-31.8179.800000112.9A172 L173 N175 F181 L182A172-A179 PolarHBondContact O-N 3.35Å; L173-A179 WeakPolarHBondContact O-CB 3.49Å; N175-A179 VanDerWaalsContact O-CB 3.27Å; N175-A179 WeakPolarHBondContact O-CB 3.27Å; N175-A179 PolarHBondContact O-N 3.11Å; A179-F181 PolarHBondContact O-N 3.24Å; A179-F181 VanDerWaalsContact O-N 3.13Å; A179-L182 PolarHBondContact O-N 3.26Å
180K98.1Very high97.6Very high105 Ų10561.5 Ų61.546%0.45734%0.339SS..THydrogen-bonded Turntrans-60.7-19174.474.4-169.8-175.3-1670114K95 P176 E177 M178K95-K180 WeakPolarHBondContact CE-O 3.44Å; P176-K180 PolarHBondContact O-N 3.42Å; E177-K180 WeakPolarHBondContact O-CE 3.39Å; E177-K180 WeakPolarHBondContact O-CG 3.5Å; E177-K180 IonicContact OE2-NZ 2.72Å; E177-K180 PolarHBondContact OE2-NZ 2.79Å; M178-K180 PolarHBondContact O-N 3.08Å; M178-K180 VanDerWaalsContact O-N 3.15Å
181F98.7Very high97.4Very high21 Ų2160.8 Ų60.89%0.09233%0.331CS..THydrogen-bonded Turntrans-99.8-5.2177.1-61-64.8000113.6L94 K95 D100 L101 A104 M106 E177 M178 A179L94-F181 CarbonylContact C-O 3.51Å; L94-F181 VanDerWaalsContact CA-O 3.3Å; L94-F181 WeakPolarHBondContact CA-O 3.23Å; K95-F181 PolarHBondContact N-O 3.18Å; K95-F181 WeakPolarHBondContact O-CD1 3.28Å; D100-F181 HydrophobicContact CB-CE1 3.84Å; D100-F181 HydrophobicContact CB-CZ 4.06Å; L101-F181 HydrophobicContact CD2-CB 3.71Å; L101-F181 HydrophobicContact CD2-CD1 3.75Å; L101-F181 HydrophobicContact CD2-CG 3.88Å; L101-F181 HydrophobicContact CG-CD1 4.49Å; A104-F181 HydrophobicContact CB-CD2 4.11Å; A104-F181 HydrophobicContact CB-CE2 3.59Å; A104-F181 HydrophobicContact CB-CZ 4.24Å; M106-F181 HydrophobicContact CE-CB 3.8Å; M106-F181 HydrophobicContact CG-CB 4.1Å; M106-F181 HydrophobicContact CG-CD2 4.09Å; M106-F181 HydrophobicContact CG-CG 4.24Å; M106-F181 HydrophobicContact SD-CB 4.04Å; M106-F181 HydrophobicContact SD-CD2 3.81Å; M106-F181 HydrophobicContact SD-CG 4.3Å; E177-F181 WeakPolarHBondContact O-CD2 3.36Å; E177-F181 WeakPolarHBondContact O-CE2 3.34Å; M178-F181 WeakPolarHBondContact O-CB 3.27Å; M178-F181 PolarHBondContact O-N 3.03Å; A179-F181 PolarHBondContact O-N 3.24Å; A179-F181 VanDerWaalsContact O-N 3.13Å
182L98.6Very high97.2Very high3 Ų362 Ų622%0.01635%0.35CS..BIsolated β-bridgetrans-104141.2-174.3-65.9163.6000111.1L94 K95 M106 I109 F110 A172 L173 A179 I187L94-L182 HydrophobicContact CD2-CD2 3.73Å; K95-L182 WeakPolarHBondContact CE-O 3.29Å; K95-L182 PolarHBondContact NZ-O 3.39Å; M106-L182 HydrophobicContact CE-CD1 4.11Å; M106-L182 HydrophobicContact CE-CD2 3.67Å; M106-L182 HydrophobicContact CE-CG 3.68Å; I109-L182 HydrophobicContact CD1-CD2 4.45Å; F110-L182 HydrophobicContact CE2-CD2 4.49Å; F110-L182 HydrophobicContact CZ-CD2 4.34Å; A172-L182 HydrophobicContact CB-CD1 3.72Å; L173-L182 HydrophobicContact CD2-CB 3.9Å; L173-L182 HydrophobicContact CD2-CD1 3.92Å; L173-L182 HydrophobicContact CG-CD1 4.16Å; A179-L182 PolarHBondContact O-N 3.26Å; L182-I187 HydrophobicContact CB-CD1 3.78Å; L182-I187 HydrophobicContact CD2-CD1 3.45Å; L182-I187 VanDerWaalsContact CD2-CD1 3.45Å; L182-I187 HydrophobicContact CG-CD1 4.15Å
183D98Very high97.1Very high51 Ų5163.2 Ų63.227%0.27336%0.355SS..  trans-9795.1163.3-169.6-44.7000109.3G92 L93 S185 N186 I187G92-D183 VanDerWaalsContact O-CB 3.25Å; G92-D183 WeakPolarHBondContact O-CB 3.29Å; L93-D183 PolarHBondContact O-N 2.93Å; L93-D183 VanDerWaalsContact O-N 3.07Å; D183-S185 PolarHBondContact O-N 2.99Å; D183-S185 WeakPolarHBondContact OD1-CB 3.35Å; D183-S185 PolarHBondContact OD1-N 3.37Å; D183-S185 VanDerWaalsContact OD1-N 3.1Å; D183-N186 HydrophobicContact CB-CB 4.2Å; D183-N186 PolarHBondContact O-N 3.26Å; D183-N186 PolarHBondContact OD1-N 3.35Å; D183-N186 PolarHBondContact OD2-ND2 3.38Å; D183-I187 WeakPolarHBondContact O-CB 3.49Å; D183-I187 WeakPolarHBondContact O-CD1 3.37Å; D183-I187 WeakPolarHBondContact O-CG1 3.38Å; D183-I187 PolarHBondContact O-N 2.92Å
184A97.1Very high97Very high55 Ų5563.1 Ų63.146%0.45537%0.365SS..Hα-helixtrans-59.3-34.4-176.100000113L173 S188L173-A184 HydrophobicContact CD2-CB 3.78Å; A184-S188 WeakPolarHBondContact O-CB 3.44Å; A184-S188 PolarHBondContact O-N 3.1Å; A184-S188 VanDerWaalsContact O-N 3.09Å
185S96.7Very high97.1Very high90 Ų9059 Ų5963%0.62934%0.338SS*.Hα-helixtrans-68.6-49.9-179.1-174.20000110.4D183 S188D183-S185 PolarHBondContact O-N 2.99Å; D183-S185 WeakPolarHBondContact OD1-CB 3.35Å; D183-S185 PolarHBondContact OD1-N 3.37Å; D183-S185 VanDerWaalsContact OD1-N 3.1Å; S185-S188 WeakPolarHBondContact O-CB 3.48Å; S185-S188 PolarHBondContact O-N 3.35Å
186N96.6Very high97.1Very high44 Ų4456 Ų5624%0.23532%0.322CS..Hα-helixtrans-67.6-39.5178.4-71.9-30.2000111.9G92 L93 D183 S188 R189 Y190G92-N186 PolarHBondContact O-ND2 3.01Å; L93-N186 HydrophobicContact CD2-CB 3.5Å; L93-N186 VanDerWaalsContact CD2-CB 3.5Å; D183-N186 HydrophobicContact CB-CB 4.2Å; D183-N186 PolarHBondContact O-N 3.26Å; D183-N186 PolarHBondContact OD1-N 3.35Å; D183-N186 PolarHBondContact OD2-ND2 3.38Å; N186-S188 VanDerWaalsContact C-N 3.26Å; N186-S188 PolarHBondContact O-N 3.44Å; N186-R189 WeakPolarHBondContact O-CB 3.13Å; N186-R189 PolarHBondContact O-N 3.02Å; N186-Y190 WeakPolarHBondContact O-CD2 3.33Å
187I97.5Very high97.2Very high1 Ų151.7 Ų51.71%0.00529%0.293CS..Hα-helixtrans-60.2-37.5177-72.9165.8000111.5L93 L169 L182 D183 R189 Y190L93-I187 HydrophobicContact CB-CG1 4.22Å; L93-I187 HydrophobicContact CD2-CG1 4.27Å; L169-I187 HydrophobicContact CD1-CG2 4.04Å; L169-I187 HydrophobicContact CD2-CG2 4.04Å; L182-I187 HydrophobicContact CB-CD1 3.78Å; L182-I187 HydrophobicContact CD2-CD1 3.45Å; L182-I187 VanDerWaalsContact CD2-CD1 3.45Å; L182-I187 HydrophobicContact CG-CD1 4.15Å; D183-I187 WeakPolarHBondContact O-CB 3.49Å; D183-I187 WeakPolarHBondContact O-CD1 3.37Å; D183-I187 WeakPolarHBondContact O-CG1 3.38Å; D183-I187 PolarHBondContact O-N 2.92Å; I187-R189 PolarHBondContact O-N 2.99Å; I187-R189 VanDerWaalsContact O-N 3.13Å; I187-Y190 PolarHBondContact O-N 3.06Å
188S96.2Very high97.3Very high73 Ų7345.9 Ų45.951%0.5127%0.266SS..Hα-helixtrans-54.8-34.2179.6-165.80000112.5A184 S185 N186 Y190 R191A184-S188 WeakPolarHBondContact O-CB 3.44Å; A184-S188 PolarHBondContact O-N 3.1Å; A184-S188 VanDerWaalsContact O-N 3.09Å; S185-S188 WeakPolarHBondContact O-CB 3.48Å; S185-S188 PolarHBondContact O-N 3.35Å; N186-S188 VanDerWaalsContact C-N 3.26Å; N186-S188 PolarHBondContact O-N 3.44Å; S188-Y190 PolarHBondContact O-N 3.07Å; S188-R191 PolarHBondContact O-N 3.47Å
189R95.7Very high97.3Very high161 Ų16143.8 Ų43.861%0.60826%0.255SS*.THydrogen-bonded Turntrans-64.1-19.4176.9-60.9170.956.9-176.2-2.9113.8E48 N186 I187E48-R189 IonicContact OE1-CZ 3.48Å; E48-R189 IonicContact OE1-NH2 3.78Å; E48-R189 PolarHBondContact OE1-NH2 3.3Å; N186-R189 WeakPolarHBondContact O-CB 3.13Å; N186-R189 PolarHBondContact O-N 3.02Å; I187-R189 PolarHBondContact O-N 2.99Å; I187-R189 VanDerWaalsContact O-N 3.13Å
190Y97Very high97.3Very high11 Ų1142.9 Ų42.94%0.04325%0.246CC..THydrogen-bonded Turntrans-106.71.8-176.5-68.6-98.8000113.5E48 I52 L93 F164 N186 I187 S188 S192 F193E48-Y190 HydrophobicContact CB-CE1 3.84Å; E48-Y190 HydrophobicContact CG-CE1 4.11Å; I52-Y190 HydrophobicContact CD1-CD1 4.41Å; I52-Y190 HydrophobicContact CD1-CE1 4Å; I52-Y190 HydrophobicContact CG1-CD1 4.2Å; I52-Y190 HydrophobicContact CG1-CE1 3.81Å; L93-Y190 HydrophobicContact CD1-CD2 3.88Å; L93-Y190 HydrophobicContact CD1-CE2 3.98Å; L93-Y190 HydrophobicContact CD1-CG 4.22Å; L93-Y190 HydrophobicContact CD2-CD2 3.93Å; L93-Y190 HydrophobicContact CD2-CE2 3.78Å; L93-Y190 HydrophobicContact CG-CE2 4.36Å; F164-Y190 WeakPolarHBondContact CB-O 3.26Å; F164-Y190 HydrophobicContact CD1-CG 4.32Å; F164-Y190 HydrophobicContact CD2-CD1 4.49Å; F164-Y190 HydrophobicContact CE1-CD1 4.15Å; F164-Y190 AromaticContact CE1-CG 3.79Å; F164-Y190 HydrophobicContact CE1-CG 3.79Å; F164-Y190 AromaticContact CE2-CD1 3.8Å; F164-Y190 HydrophobicContact CE2-CD1 3.8Å; F164-Y190 HydrophobicContact CE2-CG 4.23Å; F164-Y190 WeakPolarHBondContact CG-O 3.35Å; F164-Y190 AromaticContact CZ-CD1 3.59Å; F164-Y190 HydrophobicContact CZ-CD1 3.59Å; F164-Y190 HydrophobicContact CZ-CE1 4.39Å; F164-Y190 AromaticContact CZ-CG 3.74Å; F164-Y190 HydrophobicContact CZ-CG 3.74Å; N186-Y190 WeakPolarHBondContact O-CD2 3.33Å; I187-Y190 PolarHBondContact O-N 3.06Å; S188-Y190 PolarHBondContact O-N 3.07Å; Y190-S192 VanDerWaalsContact C-N 3.27Å; Y190-S192 PolarHBondContact O-N 2.81Å; Y190-F193 HydrophobicContact CD1-CB 4.32Å; Y190-F193 AromaticContact CD1-CD2 3.74Å; Y190-F193 HydrophobicContact CD1-CD2 3.74Å; Y190-F193 HydrophobicContact CD1-CE2 4.28Å; Y190-F193 HydrophobicContact CD1-CG 4.07Å; Y190-F193 HydrophobicContact CE1-CD2 4.25Å; Y190-F193 HydrophobicContact CE1-CE2 4.39Å; Y190-F193 WeakPolarHBondContact O-CB 3.48Å; Y190-F193 PolarHBondContact O-N 3.39Å
191R94.3Very high97.4Very high65 Ų6538.2 Ų38.225%0.24523%0.227CC..THydrogen-bonded Turntrans-59.1-36-177.1-76-170176-99.15.9113.8D166 D170 S188 F193D166-R191 WeakPolarHBondContact OD1-CD 3.16Å; D166-R191 IonicContact OD1-CZ 3.5Å; D166-R191 IonicContact OD1-NH1 3.39Å; D166-R191 PolarHBondContact OD1-NH1 3.24Å; D170-R191 IonicContact OD1-CZ 3.95Å; D170-R191 IonicContact OD1-NH1 2.79Å; D170-R191 PolarHBondContact OD1-NH1 2.86Å; D170-R191 IonicContact OD1-NH2 2.83Å; D170-R191 PolarHBondContact OD1-NH2 3.2Å; D170-R191 IonicContact OD2-NH1 3.76Å; S188-R191 PolarHBondContact O-N 3.47Å; R191-F193 VanDerWaalsContact C-N 3.33Å
192S92.7Very high97.4Very high125 Ų12537.2 Ų37.287%0.87422%0.222SC*.THydrogen-bonded Turntrans-91.210.8175.7-51.60000113.9Y190 G194Y190-S192 VanDerWaalsContact C-N 3.27Å; Y190-S192 PolarHBondContact O-N 2.81Å; S192-G194 VanDerWaalsContact C-N 3.3Å; S192-G194 PolarHBondContact O-N 3.43Å
193F96.6Very high97.4Very high27 Ų2738.4 Ų38.412%0.11823%0.23CC..  trans-69.5-28.5-177.2-173.4-89.6000112.9L19 E48 Q49 I52 F164 Y190 R191 G195 V196L19-F193 HydrophobicContact CD1-CD1 4.2Å; L19-F193 HydrophobicContact CD1-CE1 3.49Å; L19-F193 VanDerWaalsContact CD1-CE1 3.49Å; L19-F193 HydrophobicContact CD1-CE2 4.06Å; L19-F193 HydrophobicContact CD1-CZ 3.39Å; E48-F193 HydrophobicContact CB-CE2 4.47Å; Q49-F193 HydrophobicContact CB-CE2 4.31Å; Q49-F193 HydrophobicContact CG-CE2 3.89Å; Q49-F193 HydrophobicContact CG-CZ 4.37Å; I52-F193 HydrophobicContact CB-CE1 3.82Å; I52-F193 HydrophobicContact CB-CE2 4.37Å; I52-F193 HydrophobicContact CB-CZ 3.52Å; I52-F193 HydrophobicContact CG1-CE1 3.98Å; I52-F193 HydrophobicContact CG1-CE2 4.02Å; I52-F193 HydrophobicContact CG1-CZ 3.62Å; I52-F193 HydrophobicContact CG2-CE1 3.69Å; I52-F193 HydrophobicContact CG2-CZ 3.95Å; F164-F193 HydrophobicContact CD2-CB 3.81Å; F164-F193 AromaticContact CD2-CD1 3.6Å; F164-F193 HydrophobicContact CD2-CD1 3.6Å; F164-F193 HydrophobicContact CD2-CE1 4.48Å; F164-F193 AromaticContact CD2-CG 3.92Å; F164-F193 HydrophobicContact CD2-CG 3.92Å; F164-F193 HydrophobicContact CE2-CB 4.38Å; F164-F193 AromaticContact CE2-CD1 3.77Å; F164-F193 HydrophobicContact CE2-CD1 3.77Å; F164-F193 HydrophobicContact CE2-CE1 4.28Å; F164-F193 HydrophobicContact CE2-CG 4.1Å; F164-F193 HydrophobicContact CG-CB 4.33Å; Y190-F193 HydrophobicContact CD1-CB 4.32Å; Y190-F193 AromaticContact CD1-CD2 3.74Å; Y190-F193 HydrophobicContact CD1-CD2 3.74Å; Y190-F193 HydrophobicContact CD1-CE2 4.28Å; Y190-F193 HydrophobicContact CD1-CG 4.07Å; Y190-F193 HydrophobicContact CE1-CD2 4.25Å; Y190-F193 HydrophobicContact CE1-CE2 4.39Å; Y190-F193 WeakPolarHBondContact O-CB 3.48Å; Y190-F193 PolarHBondContact O-N 3.39Å; R191-F193 VanDerWaalsContact C-N 3.33Å; F193-G195 PolarHBondContact O-N 3.17Å; F193-V196 HydrophobicContact CE1-CG2 4.1Å; F193-V196 HydrophobicContact CZ-CG2 4.39Å
194G97.2Very high97.4Very high45 Ų4536.1 Ų36.146%0.46422%0.217SC..  trans75.8-106-170.400000110.5Y163 F164 S192Y163-G194 WeakPolarHBondContact CA-O 3.5Å; F164-G194 PolarHBondContact N-O 3.08Å; S192-G194 VanDerWaalsContact C-N 3.3Å; S192-G194 PolarHBondContact O-N 3.43Å
195G98.5Very high97.5Very high8 Ų835.6 Ų35.68%0.08221%0.209CC..EExtended strand (participates in β ladder)trans178.1173.8175.800000114C162 F193C162-G195 CarbonylContact O-C 3.51Å; C162-G195 WeakPolarHBondContact O-CA 3.29Å; F193-G195 PolarHBondContact O-N 3.17Å
196V98.9Very high97.6Very high0 Ų038.6 Ų38.60%021%0.213CC..EExtended strand (participates in β ladder)trans-120135.7175.7175.60000108.5L19 T38 I52 Y53 V56 G161 C162 F193 I198L19-V196 HydrophobicContact CD1-CG2 3.97Å; T38-V196 HydrophobicContact CG2-CB 4.23Å; T38-V196 HydrophobicContact CG2-CG1 4.16Å; T38-V196 HydrophobicContact CG2-CG2 3.91Å; I52-V196 HydrophobicContact CG2-CB 4.42Å; I52-V196 HydrophobicContact CG2-CG2 4.06Å; Y53-V196 HydrophobicContact CD2-CG1 3.82Å; Y53-V196 HydrophobicContact CD2-CG2 4.41Å; Y53-V196 HydrophobicContact CE2-CG1 4.36Å; V56-V196 HydrophobicContact CB-CB 4.42Å; V56-V196 HydrophobicContact CB-CG1 3.81Å; V56-V196 HydrophobicContact CG1-CG1 3.98Å; V56-V196 HydrophobicContact CG2-CB 3.97Å; V56-V196 HydrophobicContact CG2-CG1 3.92Å; G161-V196 CarbonylContact C-O 3.52Å; G161-V196 WeakPolarHBondContact CA-O 3.27Å; C162-V196 PolarHBondContact N-O 2.85Å; C162-V196 PolarHBondContact O-N 2.77Å; F193-V196 HydrophobicContact CE1-CG2 4.1Å; F193-V196 HydrophobicContact CZ-CG2 4.39Å; V196-I198 HydrophobicContact CG1-CD1 4.47Å; V196-I198 HydrophobicContact CG1-CG1 4.18Å
197R98.9Very high97.7Very high7 Ų741.7 Ų41.73%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-132.2138.9161.5179.1168.663.3-101.88.9108.9L21 D23 T36 T38 E159 Y163L21-R197 HydrophobicContact CD1-CB 3.82Å; L21-R197 HydrophobicContact CG-CB 4.38Å; D23-R197 IonicContact OD2-CZ 2.6Å; D23-R197 IonicContact OD2-NE 3.21Å; D23-R197 IonicContact OD2-NH2 3.58Å; D23-R197 PolarHBondContact OD2-NH2 2.97Å; T36-R197 HydrophobicContact CG2-CB 3.8Å; T36-R197 HydrophobicContact CG2-CG 3.9Å; T36-R197 WeakPolarHBondContact CG2-O 3.48Å; T36-R197 PolarHBondContact OG1-NE 3.31Å; T38-R197 PolarHBondContact OG1-N 3.44Å; T38-R197 VanDerWaalsContact OG1-N 3.07Å; T38-R197 PolarHBondContact OG1-O 2.98Å; E159-R197 HydrophobicContact CB-CG 4.37Å; Y163-R197 WeakPolarHBondContact OH-CB 3.46Å; Y163-R197 WeakPolarHBondContact OH-CD 3.48Å; Y163-R197 PolarHBondContact OH-NH1 3.38Å
198I98.9Very high97.7Very high0 Ų042.5 Ų42.50%025%0.247CC..  trans-126.8114.6175.7-65.6175.2000106Y53 V56 L57 N60 E159 P160 V196Y53-I198 HydrophobicContact CD2-CD1 4.38Å; Y53-I198 HydrophobicContact CE1-CD1 4.15Å; Y53-I198 HydrophobicContact CE2-CD1 3.78Å; Y53-I198 HydrophobicContact CE2-CG1 4.18Å; V56-I198 HydrophobicContact CB-CD1 4.37Å; V56-I198 HydrophobicContact CG1-CB 4.06Å; V56-I198 HydrophobicContact CG1-CD1 4.1Å; V56-I198 HydrophobicContact CG1-CG1 3.98Å; L57-I198 HydrophobicContact CB-CD1 3.79Å; L57-I198 HydrophobicContact CD1-CD1 4.03Å; N60-I198 HydrophobicContact CB-CB 4.44Å; N60-I198 HydrophobicContact CB-CG2 4.1Å; N60-I198 PolarHBondContact ND2-O 2.94Å; E159-I198 VanDerWaalsContact CA-O 3.32Å; E159-I198 WeakPolarHBondContact CA-O 3.41Å; P160-I198 WeakPolarHBondContact CD-O 3.42Å; P160-I198 PolarHBondContact O-N 3.24Å; V196-I198 HydrophobicContact CG1-CD1 4.47Å; V196-I198 HydrophobicContact CG1-CG1 4.18Å
199E98.9Very high97.8Very high0 Ų040.7 Ų40.70%023%0.233CC..BIsolated β-bridgetrans-126121.9-173.8168.4171.6-13900112T36 T157 V158 E159 R217T36-E199 WeakPolarHBondContact CB-OE2 3.37Å; T36-E199 PolarHBondContact N-OE2 2.93Å; T36-E199 PolarHBondContact O-N 2.98Å; T36-E199 PolarHBondContact OG1-OE2 3.29Å; T157-E199 WeakPolarHBondContact CB-OE1 3.31Å; T157-E199 VanDerWaalsContact CG2-OE1 3.28Å; T157-E199 WeakPolarHBondContact CG2-OE1 3.36Å; V158-E199 VanDerWaalsContact O-CA 3.27Å; V158-E199 WeakPolarHBondContact O-CA 3.26Å; E159-E199 HydrophobicContact CB-CB 3.53Å; E159-E199 HydrophobicContact CB-CG 3.66Å; E199-R217 PolarHBondContact O-NH2 3.25Å
200D98.8Very high98Very high8 Ų838.5 Ų38.54%0.04323%0.23CC..EExtended strand (participates in β ladder)trans-116.1146.5174.6-65.5-75000110.3N60 I64 T157 V158 I211 T213 R217N60-D200 PolarHBondContact ND2-OD2 3.32Å; N60-D200 PolarHBondContact OD1-OD2 3.37Å; I64-D200 HydrophobicContact CD1-CB 4.05Å; T157-D200 CarbonylContact C-O 3.51Å; T157-D200 WeakPolarHBondContact CA-O 3.38Å; V158-D200 PolarHBondContact N-O 3.45Å; V158-D200 PolarHBondContact O-N 3.34Å; V158-D200 VanDerWaalsContact O-N 3.1Å; D200-I211 HydrophobicContact CB-CG2 4.22Å; D200-T213 WeakPolarHBondContact OD1-CB 3.32Å; D200-T213 WeakPolarHBondContact OD1-CG2 3.42Å; D200-R217 IonicContact OD1-CZ 2.79Å; D200-R217 IonicContact OD1-NE 2.68Å; D200-R217 PolarHBondContact OD1-NE 3.06Å; D200-R217 IonicContact OD1-NH2 2.68Å; D200-R217 PolarHBondContact OD1-NH2 3.33Å; D200-R217 IonicContact OD2-CZ 3.85Å; D200-R217 IonicContact OD2-NE 3.41Å; D200-R217 PolarHBondContact OD2-NE 2.89Å; D200-R217 IonicContact OD2-NH2 3.18Å; D200-R217 PolarHBondContact OD2-NH2 3.44Å
201N98.8Very high98.1Very high7 Ų742 Ų424%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-90.4131167.9-58.2153.1000108.5D34 M119 L156 L212 T213D34-N201 PolarHBondContact N-OD1 3.05Å; D34-N201 VanDerWaalsContact N-OD1 3.15Å; D34-N201 VanDerWaalsContact O-CG 3.32Å; D34-N201 PolarHBondContact O-ND2 2.7Å; D34-N201 PolarHBondContact O-OD1 2.72Å; M119-N201 HydrophobicContact CE-CB 3.75Å; M119-N201 WeakPolarHBondContact CE-OD1 3.45Å; L156-N201 WeakPolarHBondContact O-CA 3.21Å; N201-L212 HydrophobicContact CB-CB 4.12Å; N201-L212 HydrophobicContact CB-CD1 4.4Å; N201-L212 PolarHBondContact O-N 2.89Å; N201-T213 PolarHBondContact N-OG1 3.35Å
202I98.8Very high98.3Very high0 Ų043.1 Ų43.10%026%0.259CS..EExtended strand (participates in β ladder)trans-127.5151177.766.1167.2000110.8I64 A67 V155 L156 V158 I204 C209 E210 I211I64-I202 HydrophobicContact CD1-CG2 4.41Å; I64-I202 HydrophobicContact CG1-CG2 4.22Å; A67-I202 HydrophobicContact CB-CD1 3.64Å; V155-I202 CarbonylContact C-O 3.41Å; V155-I202 VanDerWaalsContact CA-O 3.3Å; V155-I202 WeakPolarHBondContact CA-O 3Å; L156-I202 HydrophobicContact CB-CG1 4.21Å; L156-I202 PolarHBondContact N-O 3.14Å; L156-I202 PolarHBondContact O-N 3.3Å; V158-I202 HydrophobicContact CG2-CD1 3.6Å; V158-I202 HydrophobicContact CG2-CG1 4.03Å; V158-I202 HydrophobicContact CG2-CG2 4.37Å; I202-I204 HydrophobicContact CD1-CD1 3.95Å; I202-C209 HydrophobicContact CB-CB 4.31Å; I202-C209 HydrophobicContact CD1-CB 4.14Å; I202-E210 CarbonylContact C-O 3.53Å; I202-E210 VanDerWaalsContact CA-O 3.22Å; I202-E210 WeakPolarHBondContact CA-O 3.44Å; I202-I211 HydrophobicContact CG2-CG1 4.26Å
203V98.9Very high98.5Very high29 Ų2938 Ų3818%0.17622%0.222CC..EExtended strand (participates in β ladder)trans-116.3131.2165.661.70000109.4M154 V155 T205 C209 E210 L212M154-V203 WeakPolarHBondContact O-CA 3.36Å; V155-V203 HydrophobicContact CG2-CB 4.16Å; V155-V203 HydrophobicContact CG2-CG2 3.94Å; V203-T205 PolarHBondContact O-N 2.89Å; V203-C209 CarbonylContact O-C 3.55Å; V203-C209 WeakPolarHBondContact O-CA 3.49Å; V203-C209 WeakPolarHBondContact O-CB 3.35Å; V203-E210 HydrophobicContact CG1-CB 3.79Å; V203-E210 HydrophobicContact CG1-CG 4.41Å; V203-E210 PolarHBondContact N-O 3.41Å; V203-E210 PolarHBondContact O-N 3.3Å; V203-L212 HydrophobicContact CG1-CD2 3.94Å; V203-L212 HydrophobicContact CG1-CG 4.46Å
204I98.9Very high98.5Very high2 Ų244.3 Ų44.31%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-73.3125.6177.5-54.2-52.9000108.9A67 P69 L150 Q151 R153 M154 L156 I202 C209A67-I204 HydrophobicContact CB-CD1 4.06Å; P69-I204 HydrophobicContact CG-CG2 3.94Å; L150-I204 HydrophobicContact CB-CG1 4.37Å; L150-I204 HydrophobicContact CD1-CD1 3.82Å; L150-I204 HydrophobicContact CD1-CG1 4.32Å; Q151-I204 WeakPolarHBondContact O-CB 3.45Å; Q151-I204 WeakPolarHBondContact O-CG2 3.16Å; R153-I204 PolarHBondContact N-O 3.22Å; M154-I204 HydrophobicContact CB-CG1 4.13Å; M154-I204 PolarHBondContact O-N 2.81Å; L156-I204 HydrophobicContact CD1-CD1 3.95Å; L156-I204 HydrophobicContact CD1-CG1 3.66Å; I202-I204 HydrophobicContact CD1-CD1 3.95Å; I204-C209 HydrophobicContact CD1-CB 3.89Å
205T98.8Very high98.5Very high45 Ų4544.5 Ų44.528%0.27625%0.25SC..  trans-98.6-177176.968.10000110P69 V203 S207 G208 E210P69-T205 VanDerWaalsContact CD-O 3.22Å; P69-T205 WeakPolarHBondContact CD-O 3.46Å; P69-T205 WeakPolarHBondContact CG-O 3.43Å; V203-T205 PolarHBondContact O-N 2.89Å; T205-S207 PolarHBondContact O-N 3.43Å; T205-G208 PolarHBondContact N-O 3.3Å; T205-G208 VanDerWaalsContact OG1-C 3.27Å; T205-G208 PolarHBondContact OG1-N 2.86Å; T205-G208 VanDerWaalsContact OG1-N 3.14Å; T205-G208 PolarHBondContact OG1-O 3.05Å; T205-E210 HydrophobicContact CG2-CB 4.05Å
206E98.5Very high98.5Very high153 Ų15346.3 Ų46.372%0.71526%0.26SS*.SBendtrans-67.2-19.2178.7-61-58.515200114P152P152-E206 WeakPolarHBondContact CB-OE1 3Å; P152-E206 WeakPolarHBondContact CG-OE2 3.31Å
207S98Very high98.4Very high109 Ų10947.7 Ų47.776%0.76227%0.265SS*.SBendtrans-131.4-3.1-175.559.60000114.8T205T205-S207 PolarHBondContact O-N 3.43Å
208G98.6Very high98.4Very high18 Ų1849.6 Ų49.619%0.18628%0.279CS..SBendtrans-176-137.2-173.300000111.8A67 T205A67-G208 CarbonylContact O-C 3.13Å; T205-G208 PolarHBondContact N-O 3.3Å; T205-G208 VanDerWaalsContact OG1-C 3.27Å; T205-G208 PolarHBondContact OG1-N 2.86Å; T205-G208 VanDerWaalsContact OG1-N 3.14Å; T205-G208 PolarHBondContact OG1-O 3.05Å
209C98.7Very high98.3Very high34 Ų3450 Ų5023%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-138.9160.8167.166.90000110.8I64 A67 I202 V203 I204I64-C209 PolarHBondContact O-SG 3.41Å; A67-C209 HydrophobicContact CB-CB 4.35Å; A67-C209 WeakPolarHBondContact O-CB 3.46Å; A67-C209 PolarHBondContact O-N 3.01Å; I202-C209 HydrophobicContact CB-CB 4.31Å; I202-C209 HydrophobicContact CD1-CB 4.14Å; V203-C209 CarbonylContact O-C 3.55Å; V203-C209 WeakPolarHBondContact O-CA 3.49Å; V203-C209 WeakPolarHBondContact O-CB 3.35Å; I204-C209 HydrophobicContact CD1-CB 3.89Å
210E98.7Very high98.2Very high115 Ų11556 Ų5654%0.53731%0.309SS..EExtended strand (participates in β ladder)trans-109.9134.7168173.6-176.3-179.300108.1I202 V203 T205 L212I202-E210 CarbonylContact C-O 3.53Å; I202-E210 VanDerWaalsContact CA-O 3.22Å; I202-E210 WeakPolarHBondContact CA-O 3.44Å; V203-E210 HydrophobicContact CG1-CB 3.79Å; V203-E210 HydrophobicContact CG1-CG 4.41Å; V203-E210 PolarHBondContact N-O 3.41Å; V203-E210 PolarHBondContact O-N 3.3Å; T205-E210 HydrophobicContact CG2-CB 4.05Å; E210-L212 HydrophobicContact CG-CD2 4.43Å
211I98.7Very high98.1Very high84 Ų8457.2 Ų57.243%0.43132%0.32SS..EExtended strand (participates in β ladder)trans-87.3121.5175.8-53.3171.6000108I64 D200 I202 T213I64-I211 HydrophobicContact CD1-CD1 4.27Å; I64-I211 HydrophobicContact CD1-CG1 4.5Å; I64-I211 HydrophobicContact CG2-CD1 3.86Å; I64-I211 HydrophobicContact CG2-CG1 3.9Å; D200-I211 HydrophobicContact CB-CG2 4.22Å; I202-I211 HydrophobicContact CG2-CG1 4.26Å; I211-T213 WeakPolarHBondContact CG2-O 3.39Å
212L98.5Very high98.1Very high89 Ų8957.4 Ų57.447%0.46632%0.321SS..  trans-87-24.2178.7-54-179.9000112V155 N201 V203 E210V155-L212 HydrophobicContact CG1-CD1 4.38Å; N201-L212 HydrophobicContact CB-CB 4.12Å; N201-L212 HydrophobicContact CB-CD1 4.4Å; N201-L212 PolarHBondContact O-N 2.89Å; V203-L212 HydrophobicContact CG1-CD2 3.94Å; V203-L212 HydrophobicContact CG1-CG 4.46Å; E210-L212 HydrophobicContact CG-CD2 4.43Å
213T98.3Very high97.9Very high18 Ų1859 Ų5911%0.1133%0.329CS..  trans-82.4133179.7-56.20000111.2V35 D200 N201 I211 V215V35-T213 HydrophobicContact CG1-CG2 3.73Å; V35-T213 HydrophobicContact CG2-CG2 3.92Å; D200-T213 WeakPolarHBondContact OD1-CB 3.32Å; D200-T213 WeakPolarHBondContact OD1-CG2 3.42Å; N201-T213 PolarHBondContact N-OG1 3.35Å; I211-T213 WeakPolarHBondContact CG2-O 3.39Å; T213-V215 HydrophobicContact CG2-CG1 4.08Å; T213-V215 HydrophobicContact CG2-CG2 3.98Å
214N97Very high97.8Very high160 Ų16065 Ų6586%0.85635%0.349SS*.  trans-129.584.1176.5-175.319.8000110.6
215V97Very high97.5Very high49 Ų4969.3 Ų69.330%0.29737%0.372SS..  trans-132.7161.1178.1-56.60000110.6V35 T213 R217V35-V215 HydrophobicContact CG1-CG1 4.39Å; T213-V215 HydrophobicContact CG2-CG1 4.08Å; T213-V215 HydrophobicContact CG2-CG2 3.98Å; V215-R217 PolarHBondContact O-N 2.89Å
216P97.4Very high97.2Very high45 Ų4569.6 Ų69.629%0.29237%0.37SS..  trans-64.5127.5178-19.133.6000111.1A221 I222 I225P216-A221 HydrophobicContact CB-CB 4Å; P216-I222 HydrophobicContact CB-CG1 3.95Å; P216-I225 HydrophobicContact CB-CD1 4.03Å; P216-I225 HydrophobicContact CG-CD1 3.15Å; P216-I225 HydrophobicContact CG-CG1 4.45Å
217R97.8Very high96.7Very high30 Ų3068.3 Ų68.311%0.11336%0.362CS..  trans-116.8-32.7-179.2-64.4-58.6-171.6-164.8-1.8114.5T36 Y53 L57 E199 D200 V215T36-R217 PolarHBondContact O-NH1 3.42Å; Y53-R217 WeakPolarHBondContact CE1-O 3.46Å; Y53-R217 PolarHBondContact OH-O 3.39Å; L57-R217 HydrophobicContact CD1-CB 3.97Å; E199-R217 PolarHBondContact O-NH2 3.25Å; D200-R217 IonicContact OD1-CZ 2.79Å; D200-R217 IonicContact OD1-NE 2.68Å; D200-R217 PolarHBondContact OD1-NE 3.06Å; D200-R217 IonicContact OD1-NH2 2.68Å; D200-R217 PolarHBondContact OD1-NH2 3.33Å; D200-R217 IonicContact OD2-CZ 3.85Å; D200-R217 IonicContact OD2-NE 3.41Å; D200-R217 PolarHBondContact OD2-NE 2.89Å; D200-R217 IonicContact OD2-NH2 3.18Å; D200-R217 PolarHBondContact OD2-NH2 3.44Å; V215-R217 PolarHBondContact O-N 2.89Å
218S97.6Very high95.4Very high47 Ų4766.9 Ų66.933%0.32935%0.346SS..SBendtrans-75.3153.1177.477.80000111.2E220 A221 I222S218-E220 WeakPolarHBondContact CB-OE2 3.4Å; S218-E220 PolarHBondContact O-N 3.2Å; S218-E220 PolarHBondContact OG-OE2 2.91Å; S218-A221 PolarHBondContact O-N 2.85Å; S218-A221 VanDerWaalsContact OG-CB 3.29Å; S218-A221 WeakPolarHBondContact OG-CB 3.35Å; S218-A221 PolarHBondContact OG-N 3.17Å; S218-I222 WeakPolarHBondContact O-CG1 3.33Å; S218-I222 PolarHBondContact O-N 2.86Å
219I97.8Very high93.4Very high8 Ų869.9 Ų69.94%0.04136%0.364CS..Hα-helixtrans-56.7-40.5175-74.2160.2000109.9F45 Q50 Y53 K54 Q223F45-I219 HydrophobicContact CD2-CB 4.5Å; F45-I219 HydrophobicContact CD2-CG1 4.3Å; F45-I219 HydrophobicContact CD2-CG2 3.88Å; F45-I219 HydrophobicContact CE2-CG1 4.26Å; F45-I219 HydrophobicContact CE2-CG2 4.34Å; F45-I219 HydrophobicContact CG-CG2 4.45Å; F45-I219 HydrophobicContact CZ-CG1 4.47Å; Q50-I219 HydrophobicContact CB-CD1 3.95Å; Q50-I219 HydrophobicContact CG-CD1 3.85Å; Y53-I219 HydrophobicContact CD1-CD1 4.28Å; Y53-I219 HydrophobicContact CD1-CG1 3.83Å; Y53-I219 HydrophobicContact CE1-CG1 4.2Å; K54-I219 HydrophobicContact CD-CD1 4.22Å; K54-I219 HydrophobicContact CG-CD1 3.87Å; I219-Q223 HydrophobicContact CG2-CG 4.35Å; I219-Q223 WeakPolarHBondContact O-CB 2.95Å; I219-Q223 WeakPolarHBondContact O-CG 3.28Å; I219-Q223 PolarHBondContact O-N 2.82Å
220E97.4Very high91.1Very high126 Ų12677.4 Ų77.459%0.58939%0.393SS*.Hα-helixtrans-63.6-46.4179-59.371.3-152.100111.3S218 Q223 Y224S218-E220 WeakPolarHBondContact CB-OE2 3.4Å; S218-E220 PolarHBondContact O-N 3.2Å; S218-E220 PolarHBondContact OG-OE2 2.91Å; E220-Q223 PolarHBondContact O-N 3.12Å; E220-Y224 VanDerWaalsContact O-CB 3.24Å; E220-Y224 WeakPolarHBondContact O-CB 3.26Å; E220-Y224 PolarHBondContact O-N 3.47Å
221A96.7Very high88.4Confident33 Ų3374.5 Ų74.527%0.27339%0.386SS..Hα-helixtrans-67-40.8-179.100000112.2P216 S218 Y224 I225P216-A221 HydrophobicContact CB-CB 4Å; S218-A221 PolarHBondContact O-N 2.85Å; S218-A221 VanDerWaalsContact OG-CB 3.29Å; S218-A221 WeakPolarHBondContact OG-CB 3.35Å; S218-A221 PolarHBondContact OG-N 3.17Å; A221-Y224 PolarHBondContact O-N 3.37Å; A221-I225 PolarHBondContact O-N 3.29Å; A221-I225 VanDerWaalsContact O-N 3.09Å
222I97.1Very high85.6Confident12 Ų1274.9 Ų74.96%0.06240%0.396CS..Hα-helixtrans-63.4-51.7175.7-69.8169.9000110.1F39 F45 Y53 P216 S218 Y224 I225 M226F39-I222 HydrophobicContact CB-CG2 3.6Å; F45-I222 HydrophobicContact CE2-CB 4.17Å; F45-I222 HydrophobicContact CE2-CD1 4.46Å; F45-I222 HydrophobicContact CE2-CG2 3.79Å; F45-I222 HydrophobicContact CZ-CD1 4.16Å; F45-I222 HydrophobicContact CZ-CG2 4.23Å; Y53-I222 HydrophobicContact CE1-CD1 4.29Å; Y53-I222 HydrophobicContact CE2-CD1 4.03Å; Y53-I222 WeakPolarHBondContact OH-CD1 3.22Å; P216-I222 HydrophobicContact CB-CG1 3.95Å; S218-I222 WeakPolarHBondContact O-CG1 3.33Å; S218-I222 PolarHBondContact O-N 2.86Å; I222-Y224 PolarHBondContact O-N 3.3Å; I222-I225 PolarHBondContact O-N 3.46Å; I222-M226 HydrophobicContact CG2-CG 4.29Å; I222-M226 HydrophobicContact CG2-SD 4.08Å; I222-M226 WeakPolarHBondContact O-CB 3.23Å; I222-M226 VanDerWaalsContact O-CG 3.29Å; I222-M226 WeakPolarHBondContact O-CG 3.46Å; I222-M226 PolarHBondContact O-N 3.32Å
223Q96.1Very high82.8Confident34 Ų3478.1 Ų78.116%0.15941%0.413CS..Hα-helixtrans-63.9-31.3179.5-67.3-177.7149.200112.2G43 F45 I219 E220 K227G43-Q223 WeakPolarHBondContact O-CG 3.25Å; F45-Q223 HydrophobicContact CD2-CG 3.99Å; F45-Q223 HydrophobicContact CE2-CG 4.41Å; I219-Q223 HydrophobicContact CG2-CG 4.35Å; I219-Q223 WeakPolarHBondContact O-CB 2.95Å; I219-Q223 WeakPolarHBondContact O-CG 3.28Å; I219-Q223 PolarHBondContact O-N 2.82Å; E220-Q223 PolarHBondContact O-N 3.12Å; Q223-K227 WeakPolarHBondContact O-CB 3.41Å; Q223-K227 WeakPolarHBondContact O-CG 3.48Å; Q223-K227 PolarHBondContact O-N 2.9Å; Q223-K227 VanDerWaalsContact O-N 3.1Å
224Y95.4Very high79.8Confident154 Ų15484.1 Ų84.160%0.60444%0.444SS*.Hα-helixtrans-62.5-55.6174.6176.8-95.5000110.8E220 A221 I222 M226 K227 D228E220-Y224 VanDerWaalsContact O-CB 3.24Å; E220-Y224 WeakPolarHBondContact O-CB 3.26Å; E220-Y224 PolarHBondContact O-N 3.47Å; A221-Y224 PolarHBondContact O-N 3.37Å; I222-Y224 PolarHBondContact O-N 3.3Å; Y224-M226 VanDerWaalsContact C-N 3.32Å; Y224-M226 PolarHBondContact O-N 3.07Å; Y224-K227 PolarHBondContact O-N 3.44Å; Y224-K227 VanDerWaalsContact O-N 3.1Å; Y224-D228 WeakPolarHBondContact O-CB 3.15Å; Y224-D228 PolarHBondContact O-N 2.69Å
225I93.8Very high76.7Confident93 Ų9384.6 Ų84.648%0.47745%0.446SS..Hα-helixtrans-64.5-35.9-179.9-78.7160.8000112.2P216 A221 I222 K227 D228P216-I225 HydrophobicContact CB-CD1 4.03Å; P216-I225 HydrophobicContact CG-CD1 3.15Å; P216-I225 HydrophobicContact CG-CG1 4.45Å; A221-I225 PolarHBondContact O-N 3.29Å; A221-I225 VanDerWaalsContact O-N 3.09Å; I222-I225 PolarHBondContact O-N 3.46Å; I225-K227 VanDerWaalsContact C-N 3.27Å; I225-K227 PolarHBondContact O-N 3.06Å; I225-D228 PolarHBondContact O-N 3.35Å
226M92.5Very high73.7Confident50 Ų5094.5 Ų94.525%0.24649%0.489CS..Hα-helixtrans-71.2-20.3176.6-70-160.775.400113.9F39 P40 I222 Y224 S229F39-M226 HydrophobicContact CB-SD 3.83Å; F39-M226 HydrophobicContact CD2-CE 3.65Å; F39-M226 HydrophobicContact CD2-SD 3.53Å; F39-M226 VanDerWaalsContact CD2-SD 3.53Å; F39-M226 HydrophobicContact CE2-CE 4.03Å; F39-M226 HydrophobicContact CE2-SD 4.38Å; F39-M226 HydrophobicContact CG-SD 3.96Å; P40-M226 WeakPolarHBondContact O-CE 3.41Å; I222-M226 HydrophobicContact CG2-CG 4.29Å; I222-M226 HydrophobicContact CG2-SD 4.08Å; I222-M226 WeakPolarHBondContact O-CB 3.23Å; I222-M226 VanDerWaalsContact O-CG 3.29Å; I222-M226 WeakPolarHBondContact O-CG 3.46Å; I222-M226 PolarHBondContact O-N 3.32Å; Y224-M226 VanDerWaalsContact C-N 3.32Å; Y224-M226 PolarHBondContact O-N 3.07Å; M226-S229 PolarHBondContact O-OG 3.49Å
227K87.9Confident72.5Confident127 Ų12797 Ų9755%0.55250%0.498SS*.Hα-helixtrans-87.7-36.4173.1-75.1174.2-173.1-178.70112.1Q223 Y224 I225 S229 K230Q223-K227 WeakPolarHBondContact O-CB 3.41Å; Q223-K227 WeakPolarHBondContact O-CG 3.48Å; Q223-K227 PolarHBondContact O-N 2.9Å; Q223-K227 VanDerWaalsContact O-N 3.1Å; Y224-K227 PolarHBondContact O-N 3.44Å; Y224-K227 VanDerWaalsContact O-N 3.1Å; I225-K227 VanDerWaalsContact C-N 3.27Å; I225-K227 PolarHBondContact O-N 3.06Å; K227-S229 PolarHBondContact O-N 3.15Å; K227-K230 PolarHBondContact O-N 2.73Å; K227-K230 VanDerWaalsContact O-N 3.16Å
228D71.3Confident71.1Confident78 Ų78100.5 Ų100.542%0.41752%0.519SS..Hα-helixtrans-68.4-13.7-176.8-158.619.4000113Y224 I225 K230 S231Y224-D228 WeakPolarHBondContact O-CB 3.15Å; Y224-D228 PolarHBondContact O-N 2.69Å; I225-D228 PolarHBondContact O-N 3.35Å; D228-K230 PolarHBondContact O-N 3.45Å; D228-K230 VanDerWaalsContact O-N 3.14Å; D228-S231 WeakPolarHBondContact O-CB 3.48Å; D228-S231 PolarHBondContact O-N 3.15Å; D228-S231 PolarHBondContact O-OG 2.67Å; D228-S231 PolarHBondContact OD1-OG 3.02Å
229S55.6Low69.7Low81 Ų81103.4 Ų103.457%0.56653%0.529SS*.G310 helixtrans-68.6-4.2170.357.60000114.4M226 K227M226-S229 PolarHBondContact O-OG 3.49Å; K227-S229 PolarHBondContact O-N 3.15Å
230K50.5Low68Low192 Ų192109.1 Ų109.184%0.83556%0.558SS**G310 helixtrans-80.31.7164.8-69.2-167.5177-173.60113.7K227 D228K227-K230 PolarHBondContact O-N 2.73Å; K227-K230 VanDerWaalsContact O-N 3.16Å; D228-K230 PolarHBondContact O-N 3.45Å; D228-K230 VanDerWaalsContact O-N 3.14Å
231S42.3Very low66.2Low55 Ų55108 Ų10839%0.38556%0.556SS.*G310 helixtrans-100.313.2-177.3-430000114.3D228 D233D228-S231 WeakPolarHBondContact O-CB 3.48Å; D228-S231 PolarHBondContact O-N 3.15Å; D228-S231 PolarHBondContact O-OG 2.67Å; D228-S231 PolarHBondContact OD1-OG 3.02Å; S231-D233 PolarHBondContact O-N 2.96Å; S231-D233 VanDerWaalsContact O-N 3.08Å
232S38.9Very low64.1Low92 Ų92113 Ų11364%0.64358%0.575SS**  trans-74.612.9-177.9620000115.4L234S232-L234 PolarHBondContact O-N 2.98Å; S232-L234 VanDerWaalsContact O-N 3.14Å
233D40.2Very low61.8Low156 Ų156120.2 Ų120.283%0.83461%0.612SS**THydrogen-bonded Turntrans-76.726163.4-71.9-15.9000112.2S231S231-D233 PolarHBondContact O-N 2.96Å; S231-D233 VanDerWaalsContact O-N 3.08Å
234L35.5Very low59.1Low144 Ų144126.8 Ų126.875%0.75465%0.647SS**THydrogen-bonded Turntrans-120.925.1178.9-77.6169.4000113.3S232S232-L234 PolarHBondContact O-N 2.98Å; S232-L234 VanDerWaalsContact O-N 3.14Å
235L31.8Very low56.1Low170 Ų170124.6 Ų124.689%0.8965%0.65SS**  trans-127.720.7169.6-73.8174.8000114.1
236E33Very low52.7Low257 Ų257127.5 Ų127.5100%1.20167%0.666SS**  trans-1080158.1-73.5-170.9168.200110.2

Retrieved 236 of 236 residues in 322 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).