A5Z1V7_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A5Z1V7, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 91 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S94.6Very high98.1Very high167 Ų16791.4 Ų91.4100%1.16848%0.479SS*.  0142.80-53.70000108.4
2H97.7Very high98Very high124 Ų12486.2 Ų86.257%0.57445%0.453SS*.  trans-126.5159.3179.7-66.6-78.4000110.1Y27 D28H2-Y27 HydrophobicContact CB-CE1 4.24Å; H2-Y27 HydrophobicContact CB-CE2 4.21Å; H2-Y27 WeakPolarHBondContact CB-OH 3.27Å; H2-Y27 PolarHBondContact CD2-OH 2.82Å; H2-Y27 AromaticContact CG-CZ 3.75Å; H2-Y27 AromaticContact ND1-CE1 3.71Å; H2-Y27 AromaticContact ND1-CZ 3.86Å; H2-Y27 PolarHBondContact ND1-OH 3.27Å; H2-D28 WeakPolarHBondContact CA-OD1 3.4Å; H2-D28 WeakPolarHBondContact CB-OD1 3.43Å; H2-D28 IonicContact CE1-OD2 2.92Å; H2-D28 IonicContact CG-OD1 3.61Å; H2-D28 IonicContact CG-OD2 3.28Å; H2-D28 IonicContact ND1-OD1 2.76Å; H2-D28 PolarHBondContact ND1-OD1 3.21Å; H2-D28 IonicContact ND1-OD2 3.84Å; H2-D28 PolarHBondContact ND1-OD2 3.37Å
3T98.5Very high97.8Very high74 Ų7480.2 Ų80.245%0.45443%0.425SS..  trans-117139.1175.263.10000111Y27 D28T3-Y27 WeakPolarHBondContact O-CA 3.38Å; T3-D28 PolarHBondContact N-OD1 3.39Å; T3-D28 PolarHBondContact O-N 2.95Å; T3-D28 WeakPolarHBondContact OG1-CA 3.2Å
4L98.4Very high97.5Very high114 Ų11485.1 Ų85.160%0.59746%0.464SS*.EExtended strand (participates in β ladder)trans-121124168.7-179.768.6000107.4Y25 A26 Y27L4-Y25 HydrophobicContact CD1-CD1 4.2Å; L4-A26 WeakPolarHBondContact CA-O 3.3Å; L4-Y27 HydrophobicContact CD1-CD2 4.32Å
5Q98.8Very high97.3Very high108 Ų10885.9 Ų85.951%0.50547%0.467SS..EExtended strand (participates in β ladder)trans-118.2145.5179.7-63.1171.8-89.800109Y25 A26Q5-Y25 CarbonylContact O-C 3.6Å; Q5-Y25 VanDerWaalsContact O-CA 3.25Å; Q5-Y25 WeakPolarHBondContact O-CA 3.46Å; Q5-A26 HydrophobicContact CB-CB 4.39Å; Q5-A26 PolarHBondContact N-O 2.76Å; Q5-A26 PolarHBondContact O-N 3.38Å
6R98.4Very high97Very high113 Ų11381.3 Ų81.343%0.42645%0.446SS..EExtended strand (participates in β ladder)trans-132.4133.9177.2-172.4-170.8-172.3-154.18.7109.6Y8 N23 Q24 Y25R6-Y8 HydrophobicContact CG-CD1 4.3Å; R6-N23 PolarHBondContact NH2-ND2 2.99Å; R6-Q24 WeakPolarHBondContact CA-O 3.28Å; R6-Y25 HydrophobicContact CB-CD1 3.93Å; R6-Y25 HydrophobicContact CB-CE1 3.86Å; R6-Y25 WeakPolarHBondContact CD-OH 3.5Å; R6-Y25 HydrophobicContact CG-CD1 3.95Å; R6-Y25 HydrophobicContact CG-CD2 4.5Å; R6-Y25 HydrophobicContact CG-CE1 3.6Å; R6-Y25 HydrophobicContact CG-CE2 4.17Å; R6-Y25 HydrophobicContact CG-CG 4.4Å; R6-Y25 PolarHBondContact NE-OH 3.2Å
7M98.4Very high97Very high84 Ų8486.6 Ų86.641%0.41446%0.458SS..EExtended strand (participates in β ladder)trans-120.1134166.4-173.6-76.7-77.300108.5H22 N23 Q24M7-H22 HydrophobicContact CE-CB 3.86Å; M7-H22 HydrophobicContact SD-CB 3.94Å; M7-N23 WeakPolarHBondContact O-CA 3.47Å; M7-Q24 HydrophobicContact CB-CG 3.96Å; M7-Q24 HydrophobicContact CE-CG 3.96Å; M7-Q24 PolarHBondContact N-O 2.89Å; M7-Q24 PolarHBondContact O-N 2.6Å
8Y98.4Very high97Very high116 Ų11684.6 Ų84.646%0.45545%0.448SS..EExtended strand (participates in β ladder)trans-151.8152.9174.969.9-80.6000110.3R6 H22 N23 Y68R6-Y8 HydrophobicContact CG-CD1 4.3Å; Y8-H22 VanDerWaalsContact CA-O 3.25Å; Y8-H22 WeakPolarHBondContact CA-O 3.4Å; Y8-H22 WeakPolarHBondContact CB-O 3.19Å; Y8-N23 VanDerWaalsContact CB-ND2 3.26Å; Y8-N23 WeakPolarHBondContact CB-ND2 3.47Å; Y8-Y68 HydrophobicContact CD2-CE1 4.08Å; Y8-Y68 HydrophobicContact CE2-CE1 4.21Å
9G98.5Very high97.1Very high19 Ų1986.6 Ų86.620%0.19646%0.458CS..EExtended strand (participates in β ladder)trans162.9178.9-178.600000111.8H22 L69G9-H22 PolarHBondContact N-O 2.91Å; G9-H22 PolarHBondContact O-N 3.33Å; G9-L69 WeakPolarHBondContact O-CD2 3.33Å
10C98.6Very high97.1Very high11 Ų1187.5 Ų87.57%0.07446%0.455CS..EExtended strand (participates in β ladder)trans-130142.1178.652.70000109.9L18 R20 L69 C73 V74 L77C10-L18 HydrophobicContact CB-CD1 3.56Å; C10-R20 CarbonylContact C-O 3.43Å; C10-R20 WeakPolarHBondContact CA-O 3.32Å; C10-L69 HydrophobicContact CB-CD2 4.46Å; C10-C73 HydrophobicContact CB-CB 3.95Å; C10-C73 WeakPolarHBondContact CB-SG 3.43Å; C10-C73 PolarHBondContact N-SG 3.03Å; C10-C73 WeakPolarHBondContact SG-CB 3.38Å; C10-C73 PolarHBondContact SG-O 3.2Å; C10-C73 CovalentContact SG-SG 2.04Å; C10-C73 PolarHBondContact SG-SG 2.8Å; C10-V74 HydrophobicContact CB-CG2 4.48Å; C10-L77 WeakPolarHBondContact O-CD2 3.33Å
11D98.3Very high97.2Very high75 Ų7583.6 Ų83.640%0.40144%0.435SS..EExtended strand (participates in β ladder)trans-97.2136.1169.2-59.4-37.1000108.6L19 R20 H22D11-L19 HydrophobicContact CB-CB 4.26Å; D11-L19 PolarHBondContact O-N 3.35Å; D11-R20 HydrophobicContact CB-CB 4.38Å; D11-R20 PolarHBondContact N-O 3.26Å; D11-H22 IonicContact OD1-NE2 2.74Å; D11-H22 IonicContact OD2-CD2 3.69Å; D11-H22 IonicContact OD2-CE1 3.63Å; D11-H22 IonicContact OD2-NE2 3.92Å; D11-H22 PolarHBondContact OD2-NE2 2.85Å
12V97.3Very high97.4Very high29 Ų2977.3 Ų77.318%0.17639%0.388CS..EExtended strand (participates in β ladder)trans-119.2142.6176.1-63.40000111R17 V74 L77 L81V12-R17 CarbonylContact C-O 3.56Å; V12-R17 VanDerWaalsContact CA-O 3.25Å; V12-R17 WeakPolarHBondContact CA-O 3.46Å; V12-V74 HydrophobicContact CG1-CB 4.29Å; V12-V74 HydrophobicContact CG1-CG1 3.9Å; V12-V74 HydrophobicContact CG1-CG2 3.98Å; V12-L77 HydrophobicContact CB-CD2 4.29Å; V12-L77 HydrophobicContact CG1-CD2 3.93Å; V12-L77 HydrophobicContact CG2-CD2 3.56Å; V12-L77 HydrophobicContact CG2-CG 3.98Å; V12-L81 HydrophobicContact CG2-CD1 4.11Å
13G95.7Very high97.4Very high8 Ų871.5 Ų71.58%0.08236%0.361CS..  trans-78.7175.8175.800000112.2D15 G16 R17G13-D15 PolarHBondContact O-N 2.84Å; G13-G16 VanDerWaalsContact O-CA 3.27Å; G13-G16 WeakPolarHBondContact O-CA 3.35Å; G13-G16 PolarHBondContact O-N 2.99Å; G13-R17 PolarHBondContact N-O 2.8Å
14P92.9Very high97.4Very high150 Ų15071.9 Ų71.997%0.97436%0.357SS*.THydrogen-bonded Turntrans-60.9-24.4175.8-23.834.4000114G16P14-G16 PolarHBondContact O-N 3.12Å
15D94.3Very high97.4Very high96 Ų9669.5 Ų69.551%0.51334%0.341SS..THydrogen-bonded Turntrans-80.74.2172.370.1-12.3000112.9G13 R17G13-D15 PolarHBondContact O-N 2.84Å; D15-R17 PolarHBondContact O-N 2.99Å; D15-R17 WeakPolarHBondContact OD1-CB 3.38Å; D15-R17 PolarHBondContact OD1-N 3.35Å; D15-R17 WeakPolarHBondContact OD2-CD 3.25Å; D15-R17 WeakPolarHBondContact OD2-CG 3.27Å; D15-R17 IonicContact OD2-CZ 3.71Å; D15-R17 IonicContact OD2-NE 3.88Å; D15-R17 IonicContact OD2-NH1 3.73Å
16G93.4Very high97.4Very high13 Ų1365.2 Ų65.213%0.13432%0.324CS..SBendtrans72.71-176.900000114.2G13 P14 V74 R78G13-G16 VanDerWaalsContact O-CA 3.27Å; G13-G16 WeakPolarHBondContact O-CA 3.35Å; G13-G16 PolarHBondContact O-N 2.99Å; P14-G16 PolarHBondContact O-N 3.12Å; G16-V74 WeakPolarHBondContact O-CG1 3.33Å; G16-R78 PolarHBondContact O-NE 2.89Å; G16-R78 PolarHBondContact O-NH2 3.4Å
17R96.6Very high97.4Very high171 Ų17164.6 Ų64.665%0.64532%0.322SS*.  trans-79152.8-176.9-64.4-174.2-178.9151.8-5.6111.2V12 G13 D15 L19V12-R17 CarbonylContact C-O 3.56Å; V12-R17 VanDerWaalsContact CA-O 3.25Å; V12-R17 WeakPolarHBondContact CA-O 3.46Å; G13-R17 PolarHBondContact N-O 2.8Å; D15-R17 PolarHBondContact O-N 2.99Å; D15-R17 WeakPolarHBondContact OD1-CB 3.38Å; D15-R17 PolarHBondContact OD1-N 3.35Å; D15-R17 WeakPolarHBondContact OD2-CD 3.25Å; D15-R17 WeakPolarHBondContact OD2-CG 3.27Å; D15-R17 IonicContact OD2-CZ 3.71Å; D15-R17 IonicContact OD2-NE 3.88Å; D15-R17 IonicContact OD2-NH1 3.73Å; R17-L19 PolarHBondContact O-N 2.86Å
18L98Very high97.4Very high51 Ų5164.1 Ų64.127%0.26732%0.322SS..EExtended strand (participates in β ladder)trans-58125.2174.7-177.570.3000109.9C10 R20 L39 E70 V74C10-L18 HydrophobicContact CB-CD1 3.56Å; L18-R20 WeakPolarHBondContact CD1-O 3.29Å; L18-L39 HydrophobicContact CD2-CD1 4.15Å; L18-E70 HydrophobicContact CD2-CB 4.41Å; L18-E70 HydrophobicContact CD2-CG 3.66Å; L18-V74 HydrophobicContact CB-CG2 4.02Å; L18-V74 HydrophobicContact CD1-CG2 3.95Å
19L97.9Very high97.4Very high123 Ų12361.2 Ų61.264%0.64433%0.327SS*.EExtended strand (participates in β ladder)trans-94.8-44.8168.8-68177.6000111D11 R17D11-L19 HydrophobicContact CB-CB 4.26Å; D11-L19 PolarHBondContact O-N 3.35Å; R17-L19 PolarHBondContact O-N 2.86Å
20R97.9Very high97.4Very high104 Ų10468 Ų6839%0.39235%0.351SS..EExtended strand (participates in β ladder)trans-155.8138.7-176.6-174.7172.9178.31339.8111C10 D11 L18 H22 E37C10-R20 CarbonylContact C-O 3.43Å; C10-R20 WeakPolarHBondContact CA-O 3.32Å; D11-R20 HydrophobicContact CB-CB 4.38Å; D11-R20 PolarHBondContact N-O 3.26Å; L18-R20 WeakPolarHBondContact CD1-O 3.29Å; R20-H22 WeakPolarHBondContact CD-CE1 3.47Å; R20-H22 PolarHBondContact NE-CE1 3.49Å; R20-E37 VanDerWaalsContact CZ-CD 3.48Å; R20-E37 IonicContact CZ-OE1 3.79Å; R20-E37 VanDerWaalsContact NH1-CD 3.28Å; R20-E37 IonicContact NH1-OE1 3.46Å; R20-E37 PolarHBondContact NH1-OE1 2.78Å; R20-E37 IonicContact NH1-OE2 2.76Å; R20-E37 VanDerWaalsContact NH2-CG 3.31Å; R20-E37 IonicContact NH2-OE1 3.6Å; R20-E37 PolarHBondContact NH2-OE1 3.33Å
21G98.4Very high97.4Very high5 Ų573.4 Ų73.45%0.05238%0.379CS..EExtended strand (participates in β ladder)trans-103.9146.8168.100000110.9
22H98.5Very high97.4Very high36 Ų3672.1 Ų72.117%0.16737%0.369CS..EExtended strand (participates in β ladder)trans-127.8137.5-178.5-56.7-90.3000111M7 Y8 G9 D11 R20M7-H22 HydrophobicContact CE-CB 3.86Å; M7-H22 HydrophobicContact SD-CB 3.94Å; Y8-H22 VanDerWaalsContact CA-O 3.25Å; Y8-H22 WeakPolarHBondContact CA-O 3.4Å; Y8-H22 WeakPolarHBondContact CB-O 3.19Å; G9-H22 PolarHBondContact N-O 2.91Å; G9-H22 PolarHBondContact O-N 3.33Å; D11-H22 IonicContact OD1-NE2 2.74Å; D11-H22 IonicContact OD2-CD2 3.69Å; D11-H22 IonicContact OD2-CE1 3.63Å; D11-H22 IonicContact OD2-NE2 3.92Å; D11-H22 PolarHBondContact OD2-NE2 2.85Å; R20-H22 WeakPolarHBondContact CD-CE1 3.47Å; R20-H22 PolarHBondContact NE-CE1 3.49Å
23N98.6Very high97.5Very high2 Ų271 Ų711%0.01136%0.362CS..EExtended strand (participates in β ladder)trans-153.6109.2164.6-151.4-88.3000109R6 M7 Y8 Y25 A34 L35 L65R6-N23 PolarHBondContact NH2-ND2 2.99Å; M7-N23 WeakPolarHBondContact O-CA 3.47Å; Y8-N23 VanDerWaalsContact CB-ND2 3.26Å; Y8-N23 WeakPolarHBondContact CB-ND2 3.47Å; N23-Y25 WeakPolarHBondContact OD1-CE2 3.1Å; N23-A34 CarbonylContact O-C 3.54Å; N23-A34 WeakPolarHBondContact O-CA 3.38Å; N23-L35 HydrophobicContact CB-CB 3.83Å; N23-L35 HydrophobicContact CB-CD2 4.16Å; N23-L35 PolarHBondContact O-N 3.28Å; N23-L65 HydrophobicContact CB-CD1 4.12Å
24Q98.6Very high97.7Very high81 Ų8172.1 Ų72.138%0.37937%0.37SS..EExtended strand (participates in β ladder)trans-140.2147.1-179.365.4-17063.600111.6R6 M7 I33 A34R6-Q24 WeakPolarHBondContact CA-O 3.28Å; M7-Q24 HydrophobicContact CB-CG 3.96Å; M7-Q24 HydrophobicContact CE-CG 3.96Å; M7-Q24 PolarHBondContact N-O 2.89Å; M7-Q24 PolarHBondContact O-N 2.6Å; Q24-I33 WeakPolarHBondContact CA-O 3.07Å; Q24-A34 HydrophobicContact CB-CB 3.86Å
25Y98.7Very high97.9Very high64 Ų6465.6 Ų65.625%0.25133%0.327SS..EExtended strand (participates in β ladder)trans-120.4143.1176.9-66.9-99.6000110.1L4 Q5 R6 N23 Y32 I33L4-Y25 HydrophobicContact CD1-CD1 4.2Å; Q5-Y25 CarbonylContact O-C 3.6Å; Q5-Y25 VanDerWaalsContact O-CA 3.25Å; Q5-Y25 WeakPolarHBondContact O-CA 3.46Å; R6-Y25 HydrophobicContact CB-CD1 3.93Å; R6-Y25 HydrophobicContact CB-CE1 3.86Å; R6-Y25 WeakPolarHBondContact CD-OH 3.5Å; R6-Y25 HydrophobicContact CG-CD1 3.95Å; R6-Y25 HydrophobicContact CG-CD2 4.5Å; R6-Y25 HydrophobicContact CG-CE1 3.6Å; R6-Y25 HydrophobicContact CG-CE2 4.17Å; R6-Y25 HydrophobicContact CG-CG 4.4Å; R6-Y25 PolarHBondContact NE-OH 3.2Å; N23-Y25 WeakPolarHBondContact OD1-CE2 3.1Å; Y25-Y32 WeakPolarHBondContact O-CB 3.41Å; Y25-Y32 PolarHBondContact O-N 3.47Å; Y25-I33 HydrophobicContact CD2-CG2 4.04Å; Y25-I33 HydrophobicContact CG-CG2 4.42Å; Y25-I33 PolarHBondContact N-O 3.17Å; Y25-I33 PolarHBondContact O-N 2.65Å
26A98.8Very high98.1Very high18 Ų1863.1 Ų63.115%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-124.1141.1170.600000110.1L4 Q5 K30L4-A26 WeakPolarHBondContact CA-O 3.3Å; Q5-A26 HydrophobicContact CB-CB 4.39Å; Q5-A26 PolarHBondContact N-O 2.76Å; Q5-A26 PolarHBondContact O-N 3.38Å; A26-K30 CarbonylContact C-O 3.55Å; A26-K30 WeakPolarHBondContact CA-O 3.34Å; A26-K30 VanDerWaalsContact CB-O 3.24Å; A26-K30 WeakPolarHBondContact CB-O 3.04Å
27Y98.5Very high98.4Very high101 Ų10168.8 Ų68.840%0.39634%0.337SS..EExtended strand (participates in β ladder)trans-116.8124.4176.3-168.5-93000109.1H2 T3 L4 G29 K30H2-Y27 HydrophobicContact CB-CE1 4.24Å; H2-Y27 HydrophobicContact CB-CE2 4.21Å; H2-Y27 WeakPolarHBondContact CB-OH 3.27Å; H2-Y27 PolarHBondContact CD2-OH 2.82Å; H2-Y27 AromaticContact CG-CZ 3.75Å; H2-Y27 AromaticContact ND1-CE1 3.71Å; H2-Y27 AromaticContact ND1-CZ 3.86Å; H2-Y27 PolarHBondContact ND1-OH 3.27Å; T3-Y27 WeakPolarHBondContact O-CA 3.38Å; L4-Y27 HydrophobicContact CD1-CD2 4.32Å; Y27-G29 PolarHBondContact O-N 2.94Å; Y27-K30 PolarHBondContact N-O 3.21Å; Y27-K30 PolarHBondContact O-N 3.06Å
28D98.3Very high98.4Very high74 Ų7464.3 Ų64.340%0.39633%0.326SS..THydrogen-bonded Turntrans51.239-173.6-63.8-27.1000113.2H2 T3 K30H2-D28 WeakPolarHBondContact CA-OD1 3.4Å; H2-D28 WeakPolarHBondContact CB-OD1 3.43Å; H2-D28 IonicContact CE1-OD2 2.92Å; H2-D28 IonicContact CG-OD1 3.61Å; H2-D28 IonicContact CG-OD2 3.28Å; H2-D28 IonicContact ND1-OD1 2.76Å; H2-D28 PolarHBondContact ND1-OD1 3.21Å; H2-D28 IonicContact ND1-OD2 3.84Å; H2-D28 PolarHBondContact ND1-OD2 3.37Å; T3-D28 PolarHBondContact N-OD1 3.39Å; T3-D28 PolarHBondContact O-N 2.95Å; T3-D28 WeakPolarHBondContact OG1-CA 3.2Å; D28-K30 VanDerWaalsContact C-N 3.25Å; D28-K30 PolarHBondContact O-N 3.48Å
29G97.8Very high98.5Very high55 Ų5562.3 Ų62.357%0.56732%0.315SS*.THydrogen-bonded Turntrans74.85.5179.300000115.3Y27Y27-G29 PolarHBondContact O-N 2.94Å
30K98.5Very high98.5Very high160 Ų16064.4 Ų64.470%0.69632%0.315SS*.EExtended strand (participates in β ladder)trans-107.2146.1174.9-64.5-178.6179.71790110.8A26 Y27 D28 Y32A26-K30 CarbonylContact C-O 3.55Å; A26-K30 WeakPolarHBondContact CA-O 3.34Å; A26-K30 VanDerWaalsContact CB-O 3.24Å; A26-K30 WeakPolarHBondContact CB-O 3.04Å; Y27-K30 PolarHBondContact N-O 3.21Å; Y27-K30 PolarHBondContact O-N 3.06Å; D28-K30 VanDerWaalsContact C-N 3.25Å; D28-K30 PolarHBondContact O-N 3.48Å; K30-Y32 PolarHBondContact O-N 2.91Å
31D98.6Very high98.5Very high126 Ų12661.3 Ų61.367%0.67431%0.309SS*.EExtended strand (participates in β ladder)trans-52.8135.2174.9-68.7-12.3000110.6A45D31-A45 HydrophobicContact CB-CB 4.33Å; D31-A45 WeakPolarHBondContact O-CB 3.26Å
32Y98.8Very high98.5Very high47 Ų4761.5 Ų61.518%0.18431%0.308CS..EExtended strand (participates in β ladder)trans-118-63-179.3-179.3-112.1000110.3Y25 K30 A45 A48 A49 S52Y25-Y32 WeakPolarHBondContact O-CB 3.41Å; Y25-Y32 PolarHBondContact O-N 3.47Å; K30-Y32 PolarHBondContact O-N 2.91Å; Y32-A45 WeakPolarHBondContact O-CB 3.45Å; Y32-A45 PolarHBondContact O-N 3.26Å; Y32-A48 HydrophobicContact CE2-CB 4.4Å; Y32-A48 PolarHBondContact OH-O 3.35Å; Y32-A49 HydrophobicContact CD2-CB 3.81Å; Y32-A49 HydrophobicContact CE1-CB 4.49Å; Y32-A49 HydrophobicContact CE2-CB 3.68Å; Y32-A49 HydrophobicContact CG-CB 4.28Å; Y32-A49 WeakPolarHBondContact O-CB 3.44Å; Y32-S52 PolarHBondContact OH-OG 2.77Å
33I98.9Very high98.5Very high7 Ų763.6 Ų63.64%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-151.6139.8177.9-166.7168.3000110.9Q24 Y25 W42 T43 Q53 L56Q24-I33 WeakPolarHBondContact CA-O 3.07Å; Y25-I33 HydrophobicContact CD2-CG2 4.04Å; Y25-I33 HydrophobicContact CG-CG2 4.42Å; Y25-I33 PolarHBondContact N-O 3.17Å; Y25-I33 PolarHBondContact O-N 2.65Å; I33-W42 HydrophobicContact CD1-CB 4.3Å; I33-W42 HydrophobicContact CD1-CE3 4.24Å; I33-W42 HydrophobicContact CG1-CB 4.35Å; I33-W42 HydrophobicContact CG1-CE3 4.01Å; I33-T43 WeakPolarHBondContact CA-O 3.24Å; I33-Q53 HydrophobicContact CD1-CB 3.72Å; I33-L56 HydrophobicContact CD1-CD1 3.81Å
34A98.8Very high98.5Very high30 Ų3064.6 Ų64.625%0.24833%0.332CS..EExtended strand (participates in β ladder)trans-132.7142.417900000111.8N23 Q24 W42 T43N23-A34 CarbonylContact O-C 3.54Å; N23-A34 WeakPolarHBondContact O-CA 3.38Å; Q24-A34 HydrophobicContact CB-CB 3.86Å; A34-W42 CarbonylContact O-C 3.52Å; A34-W42 VanDerWaalsContact O-CA 3.31Å; A34-W42 WeakPolarHBondContact O-CA 3.47Å; A34-T43 PolarHBondContact N-O 2.81Å; A34-T43 PolarHBondContact O-N 3.2Å
35L98.8Very high98.5Very high13 Ų1363.6 Ų63.67%0.06834%0.338CS..EExtended strand (participates in β ladder)trans-72.5130.1167.4-176.669.4000108.3N23 L39 W42 A62 L65 L69N23-L35 HydrophobicContact CB-CB 3.83Å; N23-L35 HydrophobicContact CB-CD2 4.16Å; N23-L35 PolarHBondContact O-N 3.28Å; L35-L39 HydrophobicContact CD2-CD2 3.79Å; L35-L39 HydrophobicContact CG-CD2 4.37Å; L35-W42 HydrophobicContact CB-CE3 4.06Å; L35-W42 HydrophobicContact CB-CH2 4.29Å; L35-W42 HydrophobicContact CB-CZ3 3.87Å; L35-W42 HydrophobicContact CD1-CD2 4.18Å; L35-W42 HydrophobicContact CD1-CE3 4.4Å; L35-W42 HydrophobicContact CD1-CH2 4.26Å; L35-W42 HydrophobicContact CD1-CZ2 3.99Å; L35-W42 HydrophobicContact CD1-CZ3 4.45Å; L35-A62 HydrophobicContact CD1-CB 3.88Å; L35-L65 HydrophobicContact CD2-CB 4.18Å; L35-L65 HydrophobicContact CD2-CD1 4.36Å; L35-L69 HydrophobicContact CD2-CD1 3.91Å
36N98.8Very high98.5Very high44 Ų4464.2 Ų64.224%0.23535%0.346CS..  trans-73.6162.8179.5-66.7-26.8000111.4D38 L39 S41 W42 T43N36-D38 PolarHBondContact O-N 2.96Å; N36-D38 VanDerWaalsContact O-N 3.1Å; N36-L39 PolarHBondContact O-N 2.8Å; N36-S41 WeakPolarHBondContact CB-O 3.42Å; N36-S41 WeakPolarHBondContact CB-OG 3.37Å; N36-S41 PolarHBondContact N-O 2.88Å; N36-S41 PolarHBondContact ND2-OG 2.88Å; N36-W42 PolarHBondContact ND2-N 2.83Å; N36-T43 WeakPolarHBondContact OD1-CB 3.2Å; N36-T43 PolarHBondContact OD1-N 3.29Å; N36-T43 PolarHBondContact OD1-OG1 2.04Å
37E97.8Very high98.4Very high132 Ų13268.6 Ų68.662%0.61737%0.371SS*.THydrogen-bonded Turntrans-60.5-22.1-178.8-68179.6-162.700113.5R20 L39R20-E37 VanDerWaalsContact CZ-CD 3.48Å; R20-E37 IonicContact CZ-OE1 3.79Å; R20-E37 VanDerWaalsContact NH1-CD 3.28Å; R20-E37 IonicContact NH1-OE1 3.46Å; R20-E37 PolarHBondContact NH1-OE1 2.78Å; R20-E37 IonicContact NH1-OE2 2.76Å; R20-E37 VanDerWaalsContact NH2-CG 3.31Å; R20-E37 IonicContact NH2-OE1 3.6Å; R20-E37 PolarHBondContact NH2-OE1 3.33Å; E37-L39 PolarHBondContact O-N 2.71Å
38D98.1Very high98.4Very high78 Ų7866 Ų6642%0.41737%0.37SS..THydrogen-bonded Turntrans-71.2-8174.869.93.7000113.8N36 R40 S41N36-D38 PolarHBondContact O-N 2.96Å; N36-D38 VanDerWaalsContact O-N 3.1Å; D38-R40 WeakPolarHBondContact O-CG 3.49Å; D38-R40 PolarHBondContact O-N 2.82Å; D38-R40 VanDerWaalsContact O-N 3.17Å; D38-R40 PolarHBondContact OD1-N 3.04Å; D38-S41 VanDerWaalsContact CG-OG 3.23Å; D38-S41 PolarHBondContact OD1-N 3.21Å; D38-S41 PolarHBondContact OD1-OG 2.93Å; D38-S41 VanDerWaalsContact OD1-OG 3.1Å; D38-S41 WeakPolarHBondContact OD2-CB 3.25Å; D38-S41 PolarHBondContact OD2-OG 2.91Å
39L98.4Very high98.4Very high9 Ų962.5 Ų62.55%0.04735%0.351CS..SBendtrans54.227.2-175.7-52.5-178.1000113.7L18 L35 N36 E37 R66 L69 E70L18-L39 HydrophobicContact CD2-CD1 4.15Å; L35-L39 HydrophobicContact CD2-CD2 3.79Å; L35-L39 HydrophobicContact CG-CD2 4.37Å; N36-L39 PolarHBondContact O-N 2.8Å; E37-L39 PolarHBondContact O-N 2.71Å; L39-R66 HydrophobicContact CB-CB 4.01Å; L39-R66 HydrophobicContact CB-CG 3.83Å; L39-R66 HydrophobicContact CD1-CG 4.08Å; L39-L69 HydrophobicContact CD2-CD1 4Å; L39-E70 HydrophobicContact CD1-CG 4.19Å
40R98.1Very high98.5Very high166 Ų16663.6 Ų63.663%0.62634%0.342SS*.SBendtrans-133.9-32-174.2-70.9168.6-174.7-10110.9112.6D38 A62D38-R40 WeakPolarHBondContact O-CG 3.49Å; D38-R40 PolarHBondContact O-N 2.82Å; D38-R40 VanDerWaalsContact O-N 3.17Å; D38-R40 PolarHBondContact OD1-N 3.04Å; R40-A62 WeakPolarHBondContact O-CB 3.34Å
41S98.4Very high98.5Very high39 Ų3960.4 Ų60.427%0.27333%0.331SS..  trans-116.7165.9-177.363.30000112.1N36 D38N36-S41 WeakPolarHBondContact CB-O 3.42Å; N36-S41 WeakPolarHBondContact CB-OG 3.37Å; N36-S41 PolarHBondContact N-O 2.88Å; N36-S41 PolarHBondContact ND2-OG 2.88Å; D38-S41 VanDerWaalsContact CG-OG 3.23Å; D38-S41 PolarHBondContact OD1-N 3.21Å; D38-S41 PolarHBondContact OD1-OG 2.93Å; D38-S41 VanDerWaalsContact OD1-OG 3.1Å; D38-S41 WeakPolarHBondContact OD2-CB 3.25Å; D38-S41 PolarHBondContact OD2-OG 2.91Å
42W98.8Very high98.5Very high10 Ų1056.1 Ų56.14%0.03831%0.311CS..EExtended strand (participates in β ladder)trans-123148.2-178.1-60.287.4000111I33 A34 L35 N36 Q53 L56 V61 A62 L65I33-W42 HydrophobicContact CD1-CB 4.3Å; I33-W42 HydrophobicContact CD1-CE3 4.24Å; I33-W42 HydrophobicContact CG1-CB 4.35Å; I33-W42 HydrophobicContact CG1-CE3 4.01Å; A34-W42 CarbonylContact O-C 3.52Å; A34-W42 VanDerWaalsContact O-CA 3.31Å; A34-W42 WeakPolarHBondContact O-CA 3.47Å; L35-W42 HydrophobicContact CB-CE3 4.06Å; L35-W42 HydrophobicContact CB-CH2 4.29Å; L35-W42 HydrophobicContact CB-CZ3 3.87Å; L35-W42 HydrophobicContact CD1-CD2 4.18Å; L35-W42 HydrophobicContact CD1-CE3 4.4Å; L35-W42 HydrophobicContact CD1-CH2 4.26Å; L35-W42 HydrophobicContact CD1-CZ2 3.99Å; L35-W42 HydrophobicContact CD1-CZ3 4.45Å; N36-W42 PolarHBondContact ND2-N 2.83Å; W42-Q53 HydrophobicContact CB-CG 4.05Å; W42-Q53 PolarHBondContact O-NE2 2.87Å; W42-L56 HydrophobicContact CD2-CD1 4.02Å; W42-L56 HydrophobicContact CE3-CD1 4.02Å; W42-L56 HydrophobicContact CH2-CD1 3.86Å; W42-L56 HydrophobicContact CZ2-CB 4.2Å; W42-L56 HydrophobicContact CZ2-CD1 3.88Å; W42-L56 HydrophobicContact CZ2-CG 4.49Å; W42-L56 HydrophobicContact CZ3-CD1 3.94Å; W42-V61 HydrophobicContact CZ2-CB 4.28Å; W42-V61 HydrophobicContact CZ2-CG1 4.16Å; W42-A62 HydrophobicContact CZ2-CB 4.41Å; W42-L65 HydrophobicContact CH2-CD1 3.4Å; W42-L65 VanDerWaalsContact CH2-CD1 3.4Å; W42-L65 HydrophobicContact CZ2-CD1 3.86Å; W42-L65 HydrophobicContact CZ3-CD1 4.47Å
43T98.7Very high98.5Very high79 Ų7955.8 Ų55.849%0.48531%0.311SS..EExtended strand (participates in β ladder)trans-108.7116.4166.7-65.10000109.1I33 A34 N36I33-T43 WeakPolarHBondContact CA-O 3.24Å; A34-T43 PolarHBondContact N-O 2.81Å; A34-T43 PolarHBondContact O-N 3.2Å; N36-T43 WeakPolarHBondContact OD1-CB 3.2Å; N36-T43 PolarHBondContact OD1-N 3.29Å; N36-T43 PolarHBondContact OD1-OG1 2.04Å
44A98.7Very high98.5Very high24 Ų2462.8 Ų62.820%0.19834%0.337CS..EExtended strand (participates in β ladder)trans-94.6133.3173.400000110.6A49 Q50 Q53A44-A49 HydrophobicContact CB-CB 3.71Å; A44-Q50 HydrophobicContact CB-CG 3.96Å; A44-Q53 HydrophobicContact CB-CB 4.4Å
45A98.4Very high98.5Very high60 Ų6068.5 Ų68.550%0.49636%0.356SS..SBendtrans-78.4-30.5-176.600000113.5D31 Y32D31-A45 HydrophobicContact CB-CB 4.33Å; D31-A45 WeakPolarHBondContact O-CB 3.26Å; Y32-A45 WeakPolarHBondContact O-CB 3.45Å; Y32-A45 PolarHBondContact O-N 3.26Å
46D97.8Very high98.4Very high77 Ų7769.8 Ų69.841%0.41236%0.363SS..SBendtrans-147-178.3-179.266.330.9000112.9A48 A49 Q50D46-A48 VanDerWaalsContact C-N 3.28Å; D46-A48 PolarHBondContact O-N 3.43Å; D46-A48 WeakPolarHBondContact OD1-CA 3.04Å; D46-A48 WeakPolarHBondContact OD1-CB 3.33Å; D46-A48 PolarHBondContact OD1-N 3.05Å; D46-A49 PolarHBondContact O-N 3.44Å; D46-A49 PolarHBondContact OD1-N 2.74Å; D46-Q50 WeakPolarHBondContact O-CG 3.25Å; D46-Q50 PolarHBondContact O-N 2.91Å
47T98.1Very high98.4Very high110 Ų11071.9 Ų71.968%0.67537%0.371SS*.Hα-helixtrans-66.6-27.3-179.251.10000113.3
48A97.8Very high98.5Very high46 Ų4669.7 Ų69.738%0.3838%0.376SS..Hα-helixtrans-71.6-43.6173.900000110.2Y32 D46 Q50 I51Y32-A48 HydrophobicContact CE2-CB 4.4Å; Y32-A48 PolarHBondContact OH-O 3.35Å; D46-A48 VanDerWaalsContact C-N 3.28Å; D46-A48 PolarHBondContact O-N 3.43Å; D46-A48 WeakPolarHBondContact OD1-CA 3.04Å; D46-A48 WeakPolarHBondContact OD1-CB 3.33Å; D46-A48 PolarHBondContact OD1-N 3.05Å; A48-Q50 VanDerWaalsContact C-N 3.28Å; A48-Q50 PolarHBondContact O-N 3.27Å; A48-I51 VanDerWaalsContact O-CB 3.31Å; A48-I51 WeakPolarHBondContact O-CB 3.47Å; A48-I51 PolarHBondContact O-N 2.99Å
49A98.6Very high98.5Very high0 Ų068.7 Ų68.70%038%0.378CS..Hα-helixtrans-61.6-32.6175.100000113.1Y32 A44 D46 I51 S52 Q53Y32-A49 HydrophobicContact CD2-CB 3.81Å; Y32-A49 HydrophobicContact CE1-CB 4.49Å; Y32-A49 HydrophobicContact CE2-CB 3.68Å; Y32-A49 HydrophobicContact CG-CB 4.28Å; Y32-A49 WeakPolarHBondContact O-CB 3.44Å; A44-A49 HydrophobicContact CB-CB 3.71Å; D46-A49 PolarHBondContact O-N 3.44Å; D46-A49 PolarHBondContact OD1-N 2.74Å; A49-I51 PolarHBondContact O-N 3.46Å; A49-S52 CarbonylContact O-C 3.39Å; A49-S52 WeakPolarHBondContact O-CA 3.4Å; A49-S52 WeakPolarHBondContact O-CB 3.19Å; A49-S52 PolarHBondContact O-N 2.83Å; A49-S52 VanDerWaalsContact O-N 3.08Å; A49-Q53 PolarHBondContact O-N 3.45Å
50Q98.8Very high98.5Very high79 Ų7975.8 Ų75.837%0.36941%0.405SS..Hα-helixtrans-60.9-29.9173.3-72.5175.64.800112.9A44 D46 A48 Q53 R54A44-Q50 HydrophobicContact CB-CG 3.96Å; D46-Q50 WeakPolarHBondContact O-CG 3.25Å; D46-Q50 PolarHBondContact O-N 2.91Å; A48-Q50 VanDerWaalsContact C-N 3.28Å; A48-Q50 PolarHBondContact O-N 3.27Å; Q50-Q53 PolarHBondContact O-N 2.93Å; Q50-R54 WeakPolarHBondContact O-CG 3.32Å; Q50-R54 PolarHBondContact O-N 3.1Å; Q50-R54 VanDerWaalsContact O-N 3.12Å
51I98.6Very high98.5Very high92 Ų9269.3 Ų69.347%0.47238%0.384SS..Hα-helixtrans-67.6-43.6174.5-58.7170.2000109.7A48 A49 K55A48-I51 VanDerWaalsContact O-CB 3.31Å; A48-I51 WeakPolarHBondContact O-CB 3.47Å; A48-I51 PolarHBondContact O-N 2.99Å; A49-I51 PolarHBondContact O-N 3.46Å; I51-K55 WeakPolarHBondContact O-CG 3.44Å; I51-K55 PolarHBondContact O-N 2.8Å
52S98.5Very high98.5Very high37 Ų3767.8 Ų67.826%0.25937%0.373SS..Hα-helixtrans-62.6-45.7173.5-73.60000111.5Y32 A49 R54 K55 L56Y32-S52 PolarHBondContact OH-OG 2.77Å; A49-S52 CarbonylContact O-C 3.39Å; A49-S52 WeakPolarHBondContact O-CA 3.4Å; A49-S52 WeakPolarHBondContact O-CB 3.19Å; A49-S52 PolarHBondContact O-N 2.83Å; A49-S52 VanDerWaalsContact O-N 3.08Å; S52-R54 PolarHBondContact O-N 2.84Å; S52-K55 WeakPolarHBondContact O-CB 3.08Å; S52-K55 PolarHBondContact O-N 3.05Å; S52-K55 VanDerWaalsContact O-N 3.12Å; S52-L56 WeakPolarHBondContact O-CG 3.35Å; S52-L56 PolarHBondContact O-N 2.89Å
53Q98.8Very high98.5Very high39 Ų3972.7 Ų72.718%0.18240%0.397CS..Hα-helixtrans-52.4-53178175.9172.56.700111.9I33 W42 A44 A49 Q50 K55 L56 E57I33-Q53 HydrophobicContact CD1-CB 3.72Å; W42-Q53 HydrophobicContact CB-CG 4.05Å; W42-Q53 PolarHBondContact O-NE2 2.87Å; A44-Q53 HydrophobicContact CB-CB 4.4Å; A49-Q53 PolarHBondContact O-N 3.45Å; Q50-Q53 PolarHBondContact O-N 2.93Å; Q53-K55 VanDerWaalsContact C-N 3.25Å; Q53-K55 PolarHBondContact O-N 2.85Å; Q53-L56 PolarHBondContact O-N 3.38Å; Q53-E57 HydrophobicContact CG-CG 4.3Å; Q53-E57 VanDerWaalsContact CG-OE1 3.27Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.39Å; Q53-E57 PolarHBondContact NE2-OE1 2.95Å; Q53-E57 WeakPolarHBondContact O-CG 3.41Å; Q53-E57 PolarHBondContact O-N 2.92Å
54R98.8Very high98.5Very high155 Ų15575.2 Ų75.259%0.58540%0.403SS*.Hα-helixtrans-58.8-36.9-180-69.4170.8-171.7147.36.4112.6Q50 S52 A58Q50-R54 WeakPolarHBondContact O-CG 3.32Å; Q50-R54 PolarHBondContact O-N 3.1Å; Q50-R54 VanDerWaalsContact O-N 3.12Å; S52-R54 PolarHBondContact O-N 2.84Å; R54-A58 VanDerWaalsContact O-CB 3.28Å; R54-A58 WeakPolarHBondContact O-CB 3.35Å; R54-A58 PolarHBondContact O-N 3.3Å
55K98.7Very high98.5Very high149 Ų14975.1 Ų75.165%0.64840%0.399SS*.Hα-helixtrans-67.8-43.3175.7-69.6178179.2-1780111.6I51 S52 Q53 A58 A59I51-K55 WeakPolarHBondContact O-CG 3.44Å; I51-K55 PolarHBondContact O-N 2.8Å; S52-K55 WeakPolarHBondContact O-CB 3.08Å; S52-K55 PolarHBondContact O-N 3.05Å; S52-K55 VanDerWaalsContact O-N 3.12Å; Q53-K55 VanDerWaalsContact C-N 3.25Å; Q53-K55 PolarHBondContact O-N 2.85Å; K55-A58 PolarHBondContact O-N 3.24Å; K55-A59 WeakPolarHBondContact O-CB 2.99Å; K55-A59 PolarHBondContact O-N 2.84Å
56L98.6Very high98.5Very high40 Ų4075.6 Ų75.621%0.20939%0.388CS..Hα-helixtrans-64.8-40.8178-65.1174.5000111.6I33 W42 S52 Q53 A59 R60 V61I33-L56 HydrophobicContact CD1-CD1 3.81Å; W42-L56 HydrophobicContact CD2-CD1 4.02Å; W42-L56 HydrophobicContact CE3-CD1 4.02Å; W42-L56 HydrophobicContact CH2-CD1 3.86Å; W42-L56 HydrophobicContact CZ2-CB 4.2Å; W42-L56 HydrophobicContact CZ2-CD1 3.88Å; W42-L56 HydrophobicContact CZ2-CG 4.49Å; W42-L56 HydrophobicContact CZ3-CD1 3.94Å; S52-L56 WeakPolarHBondContact O-CG 3.35Å; S52-L56 PolarHBondContact O-N 2.89Å; Q53-L56 PolarHBondContact O-N 3.38Å; L56-A59 CarbonylContact O-C 3.59Å; L56-A59 PolarHBondContact O-N 2.9Å; L56-R60 PolarHBondContact O-N 3.24Å; L56-V61 HydrophobicContact CB-CB 4.24Å; L56-V61 HydrophobicContact CB-CG2 4.37Å; L56-V61 HydrophobicContact CD2-CB 3.92Å; L56-V61 HydrophobicContact CD2-CG1 4.01Å; L56-V61 HydrophobicContact CD2-CG2 3.74Å; L56-V61 PolarHBondContact O-N 3.46Å
57E98.6Very high98.5Very high88 Ų8875.2 Ų75.241%0.41140%0.395SS..Hα-helixtrans-65.4-47.8176.1-72.5170172.900111.4Q53 A59 R60Q53-E57 HydrophobicContact CG-CG 4.3Å; Q53-E57 VanDerWaalsContact CG-OE1 3.27Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.39Å; Q53-E57 PolarHBondContact NE2-OE1 2.95Å; Q53-E57 WeakPolarHBondContact O-CG 3.41Å; Q53-E57 PolarHBondContact O-N 2.92Å; E57-A59 PolarHBondContact O-N 3.05Å; E57-R60 PolarHBondContact O-N 3.11Å
58A98.6Very high98.6Very high86 Ų8673.6 Ų73.671%0.71138%0.377SS*.Hα-helixtrans-60-36.2176.900000112.4R54 K55 R60R54-A58 VanDerWaalsContact O-CB 3.28Å; R54-A58 WeakPolarHBondContact O-CB 3.35Å; R54-A58 PolarHBondContact O-N 3.3Å; K55-A58 PolarHBondContact O-N 3.24Å; A58-R60 VanDerWaalsContact C-N 3.32Å
59A98.6Very high98.6Very high57 Ų5771.4 Ų71.447%0.47136%0.359SS..THydrogen-bonded Turntrans-872.9176.700000113.9K55 L56 E57 V61K55-A59 WeakPolarHBondContact O-CB 2.99Å; K55-A59 PolarHBondContact O-N 2.84Å; L56-A59 CarbonylContact O-C 3.59Å; L56-A59 PolarHBondContact O-N 2.9Å; E57-A59 PolarHBondContact O-N 3.05Å; A59-V61 HydrophobicContact CB-CG2 3.88Å; A59-V61 PolarHBondContact O-N 3.46Å
60R98.2Very high98.6Very high158 Ų15875.6 Ų75.660%0.59638%0.379SS*.THydrogen-bonded Turntrans51.737.4-178.8-61.4176.3172.3-132.18.3113.7L56 E57 A58 A62 E63L56-R60 PolarHBondContact O-N 3.24Å; E57-R60 PolarHBondContact O-N 3.11Å; A58-R60 VanDerWaalsContact C-N 3.32Å; R60-A62 PolarHBondContact O-N 3.3Å; R60-E63 HydrophobicContact CB-CG 4.27Å; R60-E63 WeakPolarHBondContact CD-OE1 3.38Å; R60-E63 IonicContact CZ-OE1 2.99Å; R60-E63 IonicContact NE-OE1 3.71Å; R60-E63 IonicContact NH1-OE1 3.88Å; R60-E63 PolarHBondContact NH1-OE1 3.46Å; R60-E63 IonicContact NH1-OE2 3.96Å; R60-E63 WeakPolarHBondContact O-CB 3.47Å; R60-E63 PolarHBondContact O-N 3.1Å
61V98.7Very high98.6Very high31 Ų3172.9 Ų72.919%0.18837%0.372CS..Hα-helixtrans-63.3-30.1-1751780000112.1W42 L56 A59 E63 Q64 L65W42-V61 HydrophobicContact CZ2-CB 4.28Å; W42-V61 HydrophobicContact CZ2-CG1 4.16Å; L56-V61 HydrophobicContact CB-CB 4.24Å; L56-V61 HydrophobicContact CB-CG2 4.37Å; L56-V61 HydrophobicContact CD2-CB 3.92Å; L56-V61 HydrophobicContact CD2-CG1 4.01Å; L56-V61 HydrophobicContact CD2-CG2 3.74Å; L56-V61 PolarHBondContact O-N 3.46Å; A59-V61 HydrophobicContact CB-CG2 3.88Å; A59-V61 PolarHBondContact O-N 3.46Å; V61-E63 VanDerWaalsContact C-N 3.26Å; V61-E63 PolarHBondContact O-N 2.94Å; V61-Q64 PolarHBondContact O-N 2.62Å; V61-L65 HydrophobicContact CG1-CD1 3.97Å; V61-L65 HydrophobicContact CG1-CG 4.14Å; V61-L65 WeakPolarHBondContact O-CG 3.34Å; V61-L65 PolarHBondContact O-N 3.45Å
62A98.7Very high98.6Very high7 Ų773.9 Ų73.96%0.05838%0.375CS..Hα-helixtrans-58.8-37.417500000112.3L35 R40 W42 R60 Q64 L65 R66L35-A62 HydrophobicContact CD1-CB 3.88Å; R40-A62 WeakPolarHBondContact O-CB 3.34Å; W42-A62 HydrophobicContact CZ2-CB 4.41Å; R60-A62 PolarHBondContact O-N 3.3Å; A62-Q64 PolarHBondContact O-N 2.82Å; A62-L65 PolarHBondContact O-N 2.87Å; A62-R66 WeakPolarHBondContact O-CB 3.5Å; A62-R66 PolarHBondContact O-N 2.66Å
63E98.5Very high98.6Very high112 Ų11272.7 Ų72.752%0.52337%0.366SS..Hα-helixtrans-64.8-41178.7-62.1177.1-161.400111.4R60 V61 A67R60-E63 HydrophobicContact CB-CG 4.27Å; R60-E63 WeakPolarHBondContact CD-OE1 3.38Å; R60-E63 IonicContact CZ-OE1 2.99Å; R60-E63 IonicContact NE-OE1 3.71Å; R60-E63 IonicContact NH1-OE1 3.88Å; R60-E63 PolarHBondContact NH1-OE1 3.46Å; R60-E63 IonicContact NH1-OE2 3.96Å; R60-E63 WeakPolarHBondContact O-CB 3.47Å; R60-E63 PolarHBondContact O-N 3.1Å; V61-E63 VanDerWaalsContact C-N 3.26Å; V61-E63 PolarHBondContact O-N 2.94Å; E63-A67 PolarHBondContact O-N 3.39Å
64Q98.3Very high98.6Very high133 Ų13371.3 Ų71.362%0.62136%0.361SS*.Hα-helixtrans-68-45.1177.9-61.2175.830.500111.6V61 A62 R66 A67 Y68V61-Q64 PolarHBondContact O-N 2.62Å; A62-Q64 PolarHBondContact O-N 2.82Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 2.82Å; Q64-A67 PolarHBondContact O-N 3.05Å; Q64-Y68 PolarHBondContact O-N 3.33Å; Q64-Y68 VanDerWaalsContact O-N 3.11Å
65L98.6Very high98.6Very high21 Ų2170.3 Ų70.311%0.1136%0.362CS..Hα-helixtrans-64.2-40.3177.1-71175.5000111.4N23 L35 W42 V61 A62 Y68 L69N23-L65 HydrophobicContact CB-CD1 4.12Å; L35-L65 HydrophobicContact CD2-CB 4.18Å; L35-L65 HydrophobicContact CD2-CD1 4.36Å; W42-L65 HydrophobicContact CH2-CD1 3.4Å; W42-L65 VanDerWaalsContact CH2-CD1 3.4Å; W42-L65 HydrophobicContact CZ2-CD1 3.86Å; W42-L65 HydrophobicContact CZ3-CD1 4.47Å; V61-L65 HydrophobicContact CG1-CD1 3.97Å; V61-L65 HydrophobicContact CG1-CG 4.14Å; V61-L65 WeakPolarHBondContact O-CG 3.34Å; V61-L65 PolarHBondContact O-N 3.45Å; A62-L65 PolarHBondContact O-N 2.87Å; L65-Y68 PolarHBondContact O-N 3.08Å; L65-L69 HydrophobicContact CB-CD1 4.48Å; L65-L69 VanDerWaalsContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CB 3.15Å; L65-L69 WeakPolarHBondContact O-CD1 3.43Å; L65-L69 WeakPolarHBondContact O-CG 3.29Å; L65-L69 PolarHBondContact O-N 2.82Å
66R98.6Very high98.5Very high71 Ų7168.3 Ų68.327%0.26835%0.351SS..Hα-helixtrans-59.8-46.8175.1-177.2173.2179.5-132.5-15.5111.6L39 A62 Q64 Y68 L69 E70L39-R66 HydrophobicContact CB-CB 4.01Å; L39-R66 HydrophobicContact CB-CG 3.83Å; L39-R66 HydrophobicContact CD1-CG 4.08Å; A62-R66 WeakPolarHBondContact O-CB 3.5Å; A62-R66 PolarHBondContact O-N 2.66Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 2.82Å; R66-Y68 VanDerWaalsContact C-N 3.31Å; R66-Y68 PolarHBondContact O-N 3.28Å; R66-L69 PolarHBondContact O-N 2.85Å; R66-E70 HydrophobicContact CG-CG 4.12Å; R66-E70 IonicContact CZ-OE1 3.32Å; R66-E70 VanDerWaalsContact CZ-OE1 3.28Å; R66-E70 IonicContact CZ-OE2 2.99Å; R66-E70 VanDerWaalsContact NE-CD 3.35Å; R66-E70 IonicContact NE-OE1 3.77Å; R66-E70 PolarHBondContact NE-OE1 2.76Å; R66-E70 IonicContact NE-OE2 2.65Å; R66-E70 PolarHBondContact NE-OE2 3.17Å; R66-E70 IonicContact NH2-OE1 3.37Å; R66-E70 PolarHBondContact NH2-OE1 3.32Å; R66-E70 IonicContact NH2-OE2 2.77Å; R66-E70 PolarHBondContact NH2-OE2 2.91Å; R66-E70 WeakPolarHBondContact O-CB 3.47Å; R66-E70 WeakPolarHBondContact O-CG 3.43Å; R66-E70 PolarHBondContact O-N 2.92Å
67A98.6Very high98.5Very high68 Ų6868.9 Ų68.956%0.56235%0.354SS*.Hα-helixtrans-58.7-42.8177.200000112.2E63 Q64 G71E63-A67 PolarHBondContact O-N 3.39Å; Q64-A67 PolarHBondContact O-N 3.05Å; A67-G71 PolarHBondContact O-N 3.37Å
68Y98.7Very high98.4Very high76 Ų7670.4 Ų70.430%0.29836%0.356SS..Hα-helixtrans-65.1-46.4174.7169.3-99.5000112.7Y8 Q64 L65 R66 G71 E72 C73Y8-Y68 HydrophobicContact CD2-CE1 4.08Å; Y8-Y68 HydrophobicContact CE2-CE1 4.21Å; Q64-Y68 PolarHBondContact O-N 3.33Å; Q64-Y68 VanDerWaalsContact O-N 3.11Å; L65-Y68 PolarHBondContact O-N 3.08Å; R66-Y68 VanDerWaalsContact C-N 3.31Å; R66-Y68 PolarHBondContact O-N 3.28Å; Y68-G71 CarbonylContact O-C 3.56Å; Y68-G71 PolarHBondContact O-N 2.83Å; Y68-E72 HydrophobicContact CD2-CB 3.88Å; Y68-E72 HydrophobicContact CE2-CB 4.08Å; Y68-E72 PolarHBondContact O-N 2.8Å; Y68-C73 HydrophobicContact CD1-CB 4.33Å; Y68-C73 HydrophobicContact CE1-CB 3.89Å; Y68-C73 HydrophobicContact CE2-CB 4.5Å; Y68-C73 WeakPolarHBondContact O-CB 3.48Å; Y68-C73 PolarHBondContact O-N 3.27Å
69L98.8Very high98.4Very high0 Ų073.1 Ų73.10%035%0.348CS..Hα-helixtrans-70.2-37-175.4-71168.8000112.5G9 C10 L35 L39 L65 R66 V74G9-L69 WeakPolarHBondContact O-CD2 3.33Å; C10-L69 HydrophobicContact CB-CD2 4.46Å; L35-L69 HydrophobicContact CD2-CD1 3.91Å; L39-L69 HydrophobicContact CD2-CD1 4Å; L65-L69 HydrophobicContact CB-CD1 4.48Å; L65-L69 VanDerWaalsContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CB 3.15Å; L65-L69 WeakPolarHBondContact O-CD1 3.43Å; L65-L69 WeakPolarHBondContact O-CG 3.29Å; L65-L69 PolarHBondContact O-N 2.82Å; R66-L69 PolarHBondContact O-N 2.85Å; L69-V74 WeakPolarHBondContact O-CG2 3.5Å
70E98.4Very high98.2Very high89 Ų8976.4 Ų76.442%0.41635%0.349SS..Hα-helixtrans-80.4-24176.5-69.4179.516800112.8L18 L39 R66L18-E70 HydrophobicContact CD2-CB 4.41Å; L18-E70 HydrophobicContact CD2-CG 3.66Å; L39-E70 HydrophobicContact CD1-CG 4.19Å; R66-E70 HydrophobicContact CG-CG 4.12Å; R66-E70 IonicContact CZ-OE1 3.32Å; R66-E70 VanDerWaalsContact CZ-OE1 3.28Å; R66-E70 IonicContact CZ-OE2 2.99Å; R66-E70 VanDerWaalsContact NE-CD 3.35Å; R66-E70 IonicContact NE-OE1 3.77Å; R66-E70 PolarHBondContact NE-OE1 2.76Å; R66-E70 IonicContact NE-OE2 2.65Å; R66-E70 PolarHBondContact NE-OE2 3.17Å; R66-E70 IonicContact NH2-OE1 3.37Å; R66-E70 PolarHBondContact NH2-OE1 3.32Å; R66-E70 IonicContact NH2-OE2 2.77Å; R66-E70 PolarHBondContact NH2-OE2 2.91Å; R66-E70 WeakPolarHBondContact O-CB 3.47Å; R66-E70 WeakPolarHBondContact O-CG 3.43Å; R66-E70 PolarHBondContact O-N 2.92Å
71G98.3Very high98.1Very high22 Ų2271 Ų7123%0.22733%0.332CS..THydrogen-bonded Turntrans-108.4-99.3-177.500000112.7A67 Y68 C73 V74 E75A67-G71 PolarHBondContact O-N 3.37Å; Y68-G71 CarbonylContact O-C 3.56Å; Y68-G71 PolarHBondContact O-N 2.83Å; G71-C73 VanDerWaalsContact C-N 3.26Å; G71-C73 PolarHBondContact O-N 3.42Å; G71-C73 VanDerWaalsContact O-N 3.11Å; G71-V74 PolarHBondContact O-N 3.44Å; G71-E75 PolarHBondContact O-N 3.47Å
72E98.6Very high97.9Very high112 Ų11275.4 Ų75.452%0.52335%0.35SS..Hα-helixtrans-51.5-41.1-169.6-69.7-177.3-152.100113.6Y68 V74 E75 W76Y68-E72 HydrophobicContact CD2-CB 3.88Å; Y68-E72 HydrophobicContact CE2-CB 4.08Å; Y68-E72 PolarHBondContact O-N 2.8Å; E72-V74 PolarHBondContact O-N 3Å; E72-E75 PolarHBondContact O-N 2.83Å; E72-W76 WeakPolarHBondContact O-CB 3.34Å; E72-W76 PolarHBondContact O-N 3.23Å
73C98.7Very high97.8Very high12 Ų1280.7 Ų80.78%0.08138%0.377CS..Hα-helixtrans-58.9-47.5179.1-174.80000111.7C10 Y68 G71 L77C10-C73 HydrophobicContact CB-CB 3.95Å; C10-C73 WeakPolarHBondContact CB-SG 3.43Å; C10-C73 PolarHBondContact N-SG 3.03Å; C10-C73 WeakPolarHBondContact SG-CB 3.38Å; C10-C73 PolarHBondContact SG-O 3.2Å; C10-C73 CovalentContact SG-SG 2.04Å; C10-C73 PolarHBondContact SG-SG 2.8Å; Y68-C73 HydrophobicContact CD1-CB 4.33Å; Y68-C73 HydrophobicContact CE1-CB 3.89Å; Y68-C73 HydrophobicContact CE2-CB 4.5Å; Y68-C73 WeakPolarHBondContact O-CB 3.48Å; Y68-C73 PolarHBondContact O-N 3.27Å; G71-C73 VanDerWaalsContact C-N 3.26Å; G71-C73 PolarHBondContact O-N 3.42Å; G71-C73 VanDerWaalsContact O-N 3.11Å; C73-L77 WeakPolarHBondContact O-CB 3.45Å; C73-L77 PolarHBondContact O-N 3.34Å
74V98.6Very high97.6Very high11 Ų1176.3 Ų76.37%0.06736%0.363CS..Hα-helixtrans-66.2-43.2179.7172.80000110.5C10 V12 G16 L18 L69 G71 E72 L77 R78C10-V74 HydrophobicContact CB-CG2 4.48Å; V12-V74 HydrophobicContact CG1-CB 4.29Å; V12-V74 HydrophobicContact CG1-CG1 3.9Å; V12-V74 HydrophobicContact CG1-CG2 3.98Å; G16-V74 WeakPolarHBondContact O-CG1 3.33Å; L18-V74 HydrophobicContact CB-CG2 4.02Å; L18-V74 HydrophobicContact CD1-CG2 3.95Å; L69-V74 WeakPolarHBondContact O-CG2 3.5Å; G71-V74 PolarHBondContact O-N 3.44Å; E72-V74 PolarHBondContact O-N 3Å; V74-L77 PolarHBondContact O-N 3.39Å; V74-R78 HydrophobicContact CG1-CG 4.45Å; V74-R78 WeakPolarHBondContact O-CB 3.31Å; V74-R78 VanDerWaalsContact O-CG 3.29Å; V74-R78 WeakPolarHBondContact O-CG 3.17Å; V74-R78 PolarHBondContact O-N 3.34Å
75E98.6Very high97.4Very high133 Ų13374.8 Ų74.862%0.62135%0.354SS*.Hα-helixtrans-60.7-47.3178.7-68.8179.9173.700111.8G71 E72 R79G71-E75 PolarHBondContact O-N 3.47Å; E72-E75 PolarHBondContact O-N 2.83Å; E75-R79 WeakPolarHBondContact O-CB 3.4Å; E75-R79 PolarHBondContact O-N 3.49Å
76W98.4Very high97.1Very high108 Ų10879.7 Ų79.741%0.40938%0.38SS..Hα-helixtrans-64.3-44.3176.8-83.7111000112E72 R78 R79 Y80E72-W76 WeakPolarHBondContact O-CB 3.34Å; E72-W76 PolarHBondContact O-N 3.23Å; W76-R78 PolarHBondContact O-N 3.03Å; W76-R79 WeakPolarHBondContact O-CB 3.4Å; W76-R79 PolarHBondContact O-N 3.12Å; W76-Y80 HydrophobicContact CB-CD2 4.41Å; W76-Y80 HydrophobicContact CB-CE2 3.98Å; W76-Y80 HydrophobicContact CD2-CE2 4.38Å; W76-Y80 AromaticContact CE3-CE1 3.78Å; W76-Y80 HydrophobicContact CE3-CE1 3.78Å; W76-Y80 AromaticContact CE3-CE2 3.82Å; W76-Y80 HydrophobicContact CE3-CE2 3.82Å; W76-Y80 AromaticContact CE3-CZ 3.3Å; W76-Y80 AromaticContact CZ3-CE1 3.93Å; W76-Y80 HydrophobicContact CZ3-CE1 3.93Å; W76-Y80 AromaticContact CZ3-CZ 3.73Å; W76-Y80 VanDerWaalsContact CZ3-OH 3.28Å; W76-Y80 WeakPolarHBondContact CZ3-OH 3.34Å; W76-Y80 WeakPolarHBondContact O-CD2 3.31Å; W76-Y80 VanDerWaalsContact O-CG 3.3Å; W76-Y80 PolarHBondContact O-N 3.39Å
77L97.8Very high96.9Very high52 Ų5284.6 Ų84.627%0.27240%0.404SS..Hα-helixtrans-61.3-46.2179.5-178.154000111.4C10 V12 C73 V74 R79 Y80 L81C10-L77 WeakPolarHBondContact O-CD2 3.33Å; V12-L77 HydrophobicContact CB-CD2 4.29Å; V12-L77 HydrophobicContact CG1-CD2 3.93Å; V12-L77 HydrophobicContact CG2-CD2 3.56Å; V12-L77 HydrophobicContact CG2-CG 3.98Å; C73-L77 WeakPolarHBondContact O-CB 3.45Å; C73-L77 PolarHBondContact O-N 3.34Å; V74-L77 PolarHBondContact O-N 3.39Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.3Å; L77-Y80 PolarHBondContact O-N 3.11Å; L77-L81 HydrophobicContact CD1-CD1 4.23Å; L77-L81 HydrophobicContact CD1-CG 4.14Å; L77-L81 HydrophobicContact CG-CD1 4.11Å; L77-L81 HydrophobicContact CG-CG 4.47Å; L77-L81 WeakPolarHBondContact O-CB 3.48Å; L77-L81 WeakPolarHBondContact O-CG 3.36Å; L77-L81 PolarHBondContact O-N 3.24Å
78R96.6Very high96.4Very high120 Ų12086.6 Ų86.645%0.45340%0.404SS..Hα-helixtrans-57.1-45174.3-73.5174.6178.2-161.30.5111.9G16 V74 W76 Y80 L81 E82G16-R78 PolarHBondContact O-NE 2.89Å; G16-R78 PolarHBondContact O-NH2 3.4Å; V74-R78 HydrophobicContact CG1-CG 4.45Å; V74-R78 WeakPolarHBondContact O-CB 3.31Å; V74-R78 VanDerWaalsContact O-CG 3.29Å; V74-R78 WeakPolarHBondContact O-CG 3.17Å; V74-R78 PolarHBondContact O-N 3.34Å; W76-R78 PolarHBondContact O-N 3.03Å; R78-Y80 VanDerWaalsContact C-N 3.34Å; R78-Y80 PolarHBondContact O-N 3.49Å; R78-L81 PolarHBondContact O-N 3.12Å; R78-E82 PolarHBondContact O-N 2.87Å
79R97.5Very high95.6Very high143 Ų14387.8 Ų87.854%0.5441%0.412SS..Hα-helixtrans-62.1-42.1178.4-176.3178.5-177.2-176.31111.9E75 W76 L77 N83E75-R79 WeakPolarHBondContact O-CB 3.4Å; E75-R79 PolarHBondContact O-N 3.49Å; W76-R79 WeakPolarHBondContact O-CB 3.4Å; W76-R79 PolarHBondContact O-N 3.12Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.3Å; R79-N83 WeakPolarHBondContact O-CB 3.27Å; R79-N83 PolarHBondContact O-N 3.06Å; R79-N83 PolarHBondContact O-ND2 2.95Å
80Y95.9Very high94.4Very high125 Ų12596.6 Ų96.649%0.4945%0.446SS..Hα-helixtrans-70.5-37.7179-64.6-41.9000112.7W76 L77 R78 N83 G84W76-Y80 HydrophobicContact CB-CD2 4.41Å; W76-Y80 HydrophobicContact CB-CE2 3.98Å; W76-Y80 HydrophobicContact CD2-CE2 4.38Å; W76-Y80 AromaticContact CE3-CE1 3.78Å; W76-Y80 HydrophobicContact CE3-CE1 3.78Å; W76-Y80 AromaticContact CE3-CE2 3.82Å; W76-Y80 HydrophobicContact CE3-CE2 3.82Å; W76-Y80 AromaticContact CE3-CZ 3.3Å; W76-Y80 AromaticContact CZ3-CE1 3.93Å; W76-Y80 HydrophobicContact CZ3-CE1 3.93Å; W76-Y80 AromaticContact CZ3-CZ 3.73Å; W76-Y80 VanDerWaalsContact CZ3-OH 3.28Å; W76-Y80 WeakPolarHBondContact CZ3-OH 3.34Å; W76-Y80 WeakPolarHBondContact O-CD2 3.31Å; W76-Y80 VanDerWaalsContact O-CG 3.3Å; W76-Y80 PolarHBondContact O-N 3.39Å; L77-Y80 PolarHBondContact O-N 3.11Å; R78-Y80 VanDerWaalsContact C-N 3.34Å; R78-Y80 PolarHBondContact O-N 3.49Å; Y80-N83 PolarHBondContact O-N 2.84Å; Y80-G84 WeakPolarHBondContact O-CA 3.39Å; Y80-G84 PolarHBondContact O-N 3.45Å
81L95.4Very high92.5Very high45 Ų45100.6 Ų100.624%0.23649%0.494CS..Hα-helixtrans-61.6-45.9173.6-74174.3000111.2V12 L77 R78 G84 K85 L88V12-L81 HydrophobicContact CG2-CD1 4.11Å; L77-L81 HydrophobicContact CD1-CD1 4.23Å; L77-L81 HydrophobicContact CD1-CG 4.14Å; L77-L81 HydrophobicContact CG-CD1 4.11Å; L77-L81 HydrophobicContact CG-CG 4.47Å; L77-L81 WeakPolarHBondContact O-CB 3.48Å; L77-L81 WeakPolarHBondContact O-CG 3.36Å; L77-L81 PolarHBondContact O-N 3.24Å; R78-L81 PolarHBondContact O-N 3.12Å; L81-G84 CarbonylContact O-C 3.57Å; L81-G84 PolarHBondContact O-N 3.38Å; L81-K85 WeakPolarHBondContact O-CA 3.5Å; L81-K85 WeakPolarHBondContact O-CB 3.47Å; L81-K85 PolarHBondContact O-N 3.02Å; L81-L88 HydrophobicContact CD2-CB 4.14Å; L81-L88 HydrophobicContact CD2-CD1 4.38Å
82E94.9Very high92.2Very high123 Ų123104.5 Ų104.558%0.57551%0.507SS*.Hα-helixtrans-63.7-48.9176.7-175.360-153.900111.7R78 G84 K85R78-E82 PolarHBondContact O-N 2.87Å; E82-G84 PolarHBondContact O-N 3.01Å; E82-K85 WeakPolarHBondContact O-CB 3.46Å; E82-K85 PolarHBondContact O-N 3.5Å
83N96Very high91.9Very high118 Ų118104.1 Ų104.163%0.63151%0.506SS*.Hα-helixtrans-63.7-29.9179.5-70.2-14000113.1R79 Y80R79-N83 WeakPolarHBondContact O-CB 3.27Å; R79-N83 PolarHBondContact O-N 3.06Å; R79-N83 PolarHBondContact O-ND2 2.95Å; Y80-N83 PolarHBondContact O-N 2.84Å
84G95.4Very high91.5Very high21 Ų21109.2 Ų109.222%0.21653%0.53CS..THydrogen-bonded Turntrans-106.712.3-176.100000113.5Y80 L81 E82 D86 K87 L88Y80-G84 WeakPolarHBondContact O-CA 3.39Å; Y80-G84 PolarHBondContact O-N 3.45Å; L81-G84 CarbonylContact O-C 3.57Å; L81-G84 PolarHBondContact O-N 3.38Å; E82-G84 PolarHBondContact O-N 3.01Å; G84-D86 PolarHBondContact O-N 2.92Å; G84-D86 VanDerWaalsContact O-N 3.12Å; G84-K87 PolarHBondContact O-N 3.22Å; G84-L88 PolarHBondContact O-N 2.99Å
85K92.9Very high91.1Very high100 Ų100115 Ų11544%0.43556%0.557SS.*Hα-helixtrans-51.2-42.6-169.6-178.3167.5-169.4169.90113.1L81 E82 K87 E89L81-K85 WeakPolarHBondContact O-CA 3.5Å; L81-K85 WeakPolarHBondContact O-CB 3.47Å; L81-K85 PolarHBondContact O-N 3.02Å; E82-K85 WeakPolarHBondContact O-CB 3.46Å; E82-K85 PolarHBondContact O-N 3.5Å; K85-K87 PolarHBondContact O-N 3.2Å; K85-E89 WeakPolarHBondContact CE-OE2 3.45Å; K85-E89 HydrophobicContact CG-CB 4.36Å; K85-E89 HydrophobicContact CG-CG 4.44Å; K85-E89 WeakPolarHBondContact CG-OE2 3.33Å; K85-E89 PolarHBondContact O-N 2.98Å
86D92.8Very high90.6Very high124 Ų124113.9 Ų113.966%0.66355%0.553SS**Hα-helixtrans-61.5-10.5177.2-70.9-19.9000114.1G84 R90G84-D86 PolarHBondContact O-N 2.92Å; G84-D86 VanDerWaalsContact O-N 3.12Å; D86-R90 VanDerWaalsContact O-CD 3.27Å; D86-R90 WeakPolarHBondContact O-CD 3.28Å; D86-R90 WeakPolarHBondContact O-CG 3.39Å; D86-R90 PolarHBondContact O-NE 3.3Å; D86-R90 PolarHBondContact O-NH2 3.06Å
87K93.4Very high90.1Very high175 Ų175114.3 Ų114.376%0.76156%0.563SS**Hα-helixtrans-126.7-38178.3-65.4-177.7-177177.20112.5G84 K85G84-K87 PolarHBondContact O-N 3.22Å; K85-K87 PolarHBondContact O-N 3.2Å
88L89.5Confident89.5Confident110 Ų110118.7 Ų118.758%0.57658%0.583SS**Hα-helixtrans-84.7-23.7-172.6-61.5178000112.9L81 G84L81-L88 HydrophobicContact CD2-CB 4.14Å; L81-L88 HydrophobicContact CD2-CD1 4.38Å; G84-L88 PolarHBondContact O-N 2.99Å
89E81.2Confident89Confident100 Ų100118.6 Ų118.647%0.46759%0.593SS.*SBendtrans-109.315.1179.8-59.8-171.9172.100112.7K85 A91K85-E89 WeakPolarHBondContact CE-OE2 3.45Å; K85-E89 HydrophobicContact CG-CB 4.36Å; K85-E89 HydrophobicContact CG-CG 4.44Å; K85-E89 WeakPolarHBondContact CG-OE2 3.33Å; K85-E89 PolarHBondContact O-N 2.98Å; E89-A91 PolarHBondContact O-N 2.99Å
90R74.1Confident88.3Confident186 Ų186116.6 Ų116.670%0.70260%0.598SS**  trans-75.4112.1171.3-70.2-167.9178162.718.4109.1D86D86-R90 VanDerWaalsContact O-CD 3.27Å; D86-R90 WeakPolarHBondContact O-CD 3.28Å; D86-R90 WeakPolarHBondContact O-CG 3.39Å; D86-R90 PolarHBondContact O-NE 3.3Å; D86-R90 PolarHBondContact O-NH2 3.06Å
91A57.8Low87.6Confident172 Ų172115.8 Ų115.8100%1.42161%0.608SS**  trans-69.60168.200000111.6E89E89-A91 PolarHBondContact O-N 2.99Å

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