A0A077YED4_HUMAN Loading...

MHC class II antigen

AlphaFold DB (A0A186VNP1), UniProt , Accession A0A077YED4, Species HUMAN (Homo sapiens, Human), Gene HLA-DPB1, Length 87 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
1N85.2Confident96.7Very high214 Ų214108.6 Ų108.6100%1.14451%0.508SS*.  0133.20-113.58.5000108.4
2Y94.9Very high96.6Very high175 Ų175103.4 Ų103.469%0.68650%0.497SS*.  trans-116.5152171.664.8-89.9000109Y25 N26Y2-Y25 WeakPolarHBondContact CB-OH 3.18Å; Y2-Y25 HydrophobicContact CD2-CE2 4.28Å; Y2-Y25 HydrophobicContact CG-CE2 4.49Å; Y2-N26 WeakPolarHBondContact CA-OD1 3.2Å
3V98.1Very high96.5Very high74 Ų74106.5 Ų106.545%0.44851%0.508SS..  trans-132.7138.6176.2-1780000108.3Q5 N26V3-Q5 HydrophobicContact CG1-CG 3.75Å; V3-N26 PolarHBondContact N-OD1 3.04Å; V3-N26 PolarHBondContact O-N 3.27Å
4Y97.7Very high96.2Very high121 Ų121108.9 Ų108.948%0.47553%0.525SS..EExtended strand (participates in β ladder)trans-119.2135.9168.3-166.3-95.8000108.7Y23 I24 Y25 L30Y4-Y23 HydrophobicContact CE1-CD1 4.07Å; Y4-Y23 AromaticContact CZ-CD1 3.99Å; Y4-Y23 WeakPolarHBondContact OH-CD1 3.47Å; Y4-I24 CarbonylContact C-O 3.53Å; Y4-I24 WeakPolarHBondContact CA-O 3.42Å; Y4-Y25 HydrophobicContact CD2-CD2 4.12Å; Y4-L30 HydrophobicContact CE2-CD1 4.38Å
5Q98.6Very high95.8Very high62 Ų62105.8 Ų105.829%0.2953%0.533SS..EExtended strand (participates in β ladder)trans-131.8137.1-176.3-46.6178.4-81.700109.7V3 I24 N26V3-Q5 HydrophobicContact CG1-CG 3.75Å; Q5-I24 HydrophobicContact CB-CB 4.25Å; Q5-I24 PolarHBondContact N-O 3.27Å; Q5-I24 PolarHBondContact O-N 3.32Å; Q5-N26 PolarHBondContact OE1-O 2.98Å
6L98.3Very high95.8Very high82 Ų82104.6 Ų104.643%0.42953%0.533SS..EExtended strand (participates in β ladder)trans-107.2131.7165.9178.964000108Q8 E21 R22 Y23L6-Q8 HydrophobicContact CD2-CG 4.42Å; L6-Q8 HydrophobicContact CG-CG 4.31Å; L6-E21 HydrophobicContact CD1-CG 3.64Å; L6-R22 WeakPolarHBondContact CA-O 3.41Å; L6-Y23 HydrophobicContact CD1-CD1 3.88Å; L6-Y23 HydrophobicContact CD1-CD2 4.31Å; L6-Y23 HydrophobicContact CD1-CE1 3.66Å; L6-Y23 HydrophobicContact CD1-CE2 4.05Å; L6-Y23 HydrophobicContact CD1-CG 4.25Å
7R98.5Very high96Very high120 Ų12099.8 Ų99.845%0.45351%0.508SS..EExtended strand (participates in β ladder)trans-118.1122.7171-60.9-66-173.7171.61.2108.7E9 E21 R22 I24R7-E9 HydrophobicContact CB-CG 4.35Å; R7-E21 CarbonylContact O-C 3.44Å; R7-E21 VanDerWaalsContact O-CA 3.28Å; R7-E21 WeakPolarHBondContact O-CA 3.4Å; R7-R22 HydrophobicContact CB-CB 4.3Å; R7-R22 PolarHBondContact N-O 3.15Å; R7-R22 PolarHBondContact O-N 3.05Å; R7-I24 HydrophobicContact CG-CD1 3.88Å
8Q98.4Very high96.1Very high124 Ų12499.2 Ų99.258%0.57950%0.498SS*.EExtended strand (participates in β ladder)trans-113.8110172.2-71.3179.7-43.600107.3L6 F19 L20 E21L6-Q8 HydrophobicContact CD2-CG 4.42Å; L6-Q8 HydrophobicContact CG-CG 4.31Å; Q8-F19 HydrophobicContact CB-CE2 4.02Å; Q8-F19 HydrophobicContact CB-CZ 4.46Å; Q8-F19 HydrophobicContact CG-CE2 4.33Å; Q8-F19 HydrophobicContact CG-CZ 4.28Å; Q8-L20 WeakPolarHBondContact CA-O 3.19Å; Q8-E21 HydrophobicContact CG-CG 4.12Å; Q8-E21 PolarHBondContact NE2-OE2 2.77Å
9E98.6Very high96.2Very high48 Ų4894.2 Ų94.222%0.22447%0.473CS..EExtended strand (participates in β ladder)trans-122.7136.2-169.6-63.6-178.7150.500110.6R7 Y11 F19 L20 R22R7-E9 HydrophobicContact CB-CG 4.35Å; E9-Y11 HydrophobicContact CB-CD2 4.44Å; E9-Y11 HydrophobicContact CB-CE2 3.76Å; E9-Y11 PolarHBondContact OE2-OH 3.47Å; E9-F19 WeakPolarHBondContact O-CA 3.24Å; E9-F19 WeakPolarHBondContact O-CD2 3.46Å; E9-L20 HydrophobicContact CB-CB 4.27Å; E9-L20 PolarHBondContact N-O 2.77Å; E9-L20 PolarHBondContact O-N 2.76Å; E9-R22 VanDerWaalsContact CD-CZ 3.41Å; E9-R22 IonicContact OE1-CZ 2.64Å; E9-R22 IonicContact OE1-NH1 3.56Å; E9-R22 IonicContact OE1-NH2 2.95Å; E9-R22 PolarHBondContact OE1-NH2 3.35Å; E9-R22 IonicContact OE2-CZ 3.42Å; E9-R22 IonicContact OE2-NE 2.74Å; E9-R22 IonicContact OE2-NH1 3.5Å; E9-R22 PolarHBondContact OE2-NH1 2.91Å; E9-R22 IonicContact OE2-NH2 3.4Å; E9-R22 PolarHBondContact OE2-NH2 2.7Å
10C98.2Very high96.4Very high61 Ų6189.9 Ų89.941%0.41245%0.451SS..EExtended strand (participates in β ladder)trans-118.3120.9176.8-64.60000108.4R18 C72C10-R18 WeakPolarHBondContact CA-O 3.44Å; C10-C72 HydrophobicContact CB-CB 3.49Å; C10-C72 VanDerWaalsContact CB-CB 3.49Å; C10-C72 WeakPolarHBondContact CB-SG 3.41Å; C10-C72 WeakPolarHBondContact SG-CA 3.28Å; C10-C72 WeakPolarHBondContact SG-CB 3.25Å; C10-C72 CovalentContact SG-SG 2.03Å; C10-C72 PolarHBondContact SG-SG 2.68Å
11Y97.4Very high96.5Very high114 Ų11485.7 Ų85.745%0.44743%0.43SS..EExtended strand (participates in β ladder)trans-106.6110175.8-63.5-90.6000108.8E9 R18 L20E9-Y11 HydrophobicContact CB-CD2 4.44Å; E9-Y11 HydrophobicContact CB-CE2 3.76Å; E9-Y11 PolarHBondContact OE2-OH 3.47Å; Y11-R18 PolarHBondContact N-O 2.97Å; Y11-R18 PolarHBondContact O-N 2.84Å; Y11-L20 HydrophobicContact CD2-CD1 3.79Å; Y11-L20 HydrophobicContact CE2-CB 4.3Å; Y11-L20 HydrophobicContact CE2-CD1 3.35Å; Y11-L20 HydrophobicContact CE2-CG 4.42Å
12A95.8Very high97.1Very high46 Ų4677.7 Ų77.738%0.3838%0.384SS..EExtended strand (participates in β ladder)trans-92.1126174.900000110.1T16 Y76A12-T16 WeakPolarHBondContact CA-O 3.47Å; A12-Y76 HydrophobicContact CB-CD2 3.48Å; A12-Y76 VanDerWaalsContact CB-CD2 3.48Å; A12-Y76 HydrophobicContact CB-CE2 3.55Å; A12-Y76 HydrophobicContact CB-CG 4.19Å
13F94.4Very high97.3Very high144 Ų14471.1 Ų71.163%0.63236%0.358SS*.EExtended strand (participates in β ladder)trans-152.3128.2176.9-179.5-109.2000111.1G15 T16F13-G15 PolarHBondContact O-N 2.85Å; F13-G15 VanDerWaalsContact O-N 3.08Å; F13-T16 PolarHBondContact N-O 2.63Å; F13-T16 VanDerWaalsContact N-O 3.1Å; F13-T16 PolarHBondContact O-N 2.79Å; F13-T16 PolarHBondContact O-OG1 3.28Å
14N93.1Very high97.3Very high139 Ų13968.5 Ų68.574%0.74334%0.341SS*.THydrogen-bonded Turntrans46.940.9177-67.7-11.7000114.5T16N14-T16 VanDerWaalsContact C-N 3.3Å; N14-T16 PolarHBondContact O-N 3.4Å
15G90.1Very high97.4Very high63 Ų6367.1 Ų67.165%0.64934%0.336SS*.THydrogen-bonded Turntrans81.3-1.6178.700000115.7F13 R73F13-G15 PolarHBondContact O-N 2.85Å; F13-G15 VanDerWaalsContact O-N 3.08Å; G15-R73 PolarHBondContact O-NH1 3.3Å
16T96.2Very high97.3Very high87 Ų8767.1 Ų67.153%0.53434%0.338SS..EExtended strand (participates in β ladder)trans-99.5159.9173.370.60000111.7A12 F13 N14A12-T16 WeakPolarHBondContact CA-O 3.47Å; F13-T16 PolarHBondContact N-O 2.63Å; F13-T16 VanDerWaalsContact N-O 3.1Å; F13-T16 PolarHBondContact O-N 2.79Å; F13-T16 PolarHBondContact O-OG1 3.28Å; N14-T16 VanDerWaalsContact C-N 3.3Å; N14-T16 PolarHBondContact O-N 3.4Å
17Q98.1Very high97.2Very high23 Ų2374.7 Ų74.711%0.10736%0.361CS..EExtended strand (participates in β ladder)trans-124.6130.3175.9-64.8-66.8-26.200108.4P68 C72 R73Q17-P68 HydrophobicContact CB-CB 4.03Å; Q17-C72 HydrophobicContact CB-CB 4.05Å; Q17-C72 HydrophobicContact CG-CB 4.21Å; Q17-R73 HydrophobicContact CG-CB 4.08Å
18R98.4Very high97.2Very high89 Ų8973 Ų7334%0.33636%0.358SS..EExtended strand (participates in β ladder)trans-115131.6168.6178.9-175178178.3-1109.5C10 Y11 D34 S35 D36C10-R18 WeakPolarHBondContact CA-O 3.44Å; Y11-R18 PolarHBondContact N-O 2.97Å; Y11-R18 PolarHBondContact O-N 2.84Å; R18-D34 IonicContact CZ-OD1 3.47Å; R18-D34 IonicContact CZ-OD2 3.51Å; R18-D34 IonicContact NE-OD1 2.8Å; R18-D34 PolarHBondContact NE-OD1 3.37Å; R18-D34 IonicContact NE-OD2 2.59Å; R18-D34 IonicContact NH2-OD1 2.85Å; R18-D34 PolarHBondContact NH2-OD1 3.13Å; R18-D34 IonicContact NH2-OD2 3.68Å; R18-D34 PolarHBondContact NH2-OD2 3.04Å; R18-S35 WeakPolarHBondContact CA-OG 3.33Å; R18-D36 WeakPolarHBondContact CD-OD2 3.46Å; R18-D36 IonicContact CZ-OD2 2.63Å; R18-D36 IonicContact NE-OD2 2.91Å; R18-D36 PolarHBondContact NE-OD2 2.73Å; R18-D36 IonicContact NH1-OD2 3.81Å
19F98.8Very high97.2Very high4 Ų468.8 Ų68.82%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-107.2133.4178.8175.9-115.8000111.2Q8 E9 E21 F33 S35 K64 V67 P68Q8-F19 HydrophobicContact CB-CE2 4.02Å; Q8-F19 HydrophobicContact CB-CZ 4.46Å; Q8-F19 HydrophobicContact CG-CE2 4.33Å; Q8-F19 HydrophobicContact CG-CZ 4.28Å; E9-F19 WeakPolarHBondContact O-CA 3.24Å; E9-F19 WeakPolarHBondContact O-CD2 3.46Å; F19-E21 HydrophobicContact CE1-CB 3.81Å; F19-E21 HydrophobicContact CZ-CB 3.68Å; F19-E21 HydrophobicContact CZ-CG 4.3Å; F19-F33 AromaticContact CD1-CD1 3.87Å; F19-F33 HydrophobicContact CD1-CD1 3.87Å; F19-F33 HydrophobicContact CD1-CE1 4.1Å; F19-F33 HydrophobicContact CE1-CD1 4.12Å; F19-S35 PolarHBondContact N-OG 3.43Å; F19-S35 PolarHBondContact O-N 2.86Å; F19-S35 PolarHBondContact O-OG 2.64Å; F19-K64 HydrophobicContact CE1-CD 4.23Å; F19-V67 HydrophobicContact CB-CB 4.35Å; F19-V67 HydrophobicContact CB-CG1 4.17Å; F19-V67 HydrophobicContact CD1-CB 3.64Å; F19-V67 HydrophobicContact CD1-CG1 3.67Å; F19-V67 HydrophobicContact CD1-CG2 4.14Å; F19-V67 HydrophobicContact CD2-CB 4.33Å; F19-V67 HydrophobicContact CD2-CG1 3.45Å; F19-V67 VanDerWaalsContact CD2-CG1 3.45Å; F19-V67 HydrophobicContact CE1-CB 3.94Å; F19-V67 HydrophobicContact CE1-CG1 3.82Å; F19-V67 HydrophobicContact CE1-CG2 3.97Å; F19-V67 HydrophobicContact CE2-CG1 3.62Å; F19-V67 HydrophobicContact CG-CB 3.84Å; F19-V67 HydrophobicContact CG-CG1 3.46Å; F19-V67 VanDerWaalsContact CG-CG1 3.46Å; F19-V67 HydrophobicContact CZ-CB 4.41Å; F19-V67 HydrophobicContact CZ-CG1 3.79Å; F19-V67 HydrophobicContact CZ-CG2 4.42Å; F19-P68 HydrophobicContact CB-CG 3.8Å
20L98.7Very high97.2Very high8 Ų867.3 Ų67.34%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-126.5123.7174.5-87.8146000109.6Q8 E9 Y11 R32 F33 D34Q8-L20 WeakPolarHBondContact CA-O 3.19Å; E9-L20 HydrophobicContact CB-CB 4.27Å; E9-L20 PolarHBondContact N-O 2.77Å; E9-L20 PolarHBondContact O-N 2.76Å; Y11-L20 HydrophobicContact CD2-CD1 3.79Å; Y11-L20 HydrophobicContact CE2-CB 4.3Å; Y11-L20 HydrophobicContact CE2-CD1 3.35Å; Y11-L20 HydrophobicContact CE2-CG 4.42Å; L20-R32 VanDerWaalsContact CD2-CD 3.42Å; L20-R32 HydrophobicContact CD2-CG 3.79Å; L20-F33 WeakPolarHBondContact CA-O 3.16Å; L20-D34 HydrophobicContact CD2-CB 4.04Å
21E98.8Very high97.2Very high1 Ų164.4 Ų64.41%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-114.2119.6170.2-166.7165.875.200109.4L6 R7 Q8 F19 Y23 R32 F33 K64L6-E21 HydrophobicContact CD1-CG 3.64Å; R7-E21 CarbonylContact O-C 3.44Å; R7-E21 VanDerWaalsContact O-CA 3.28Å; R7-E21 WeakPolarHBondContact O-CA 3.4Å; Q8-E21 HydrophobicContact CG-CG 4.12Å; Q8-E21 PolarHBondContact NE2-OE2 2.77Å; F19-E21 HydrophobicContact CE1-CB 3.81Å; F19-E21 HydrophobicContact CZ-CB 3.68Å; F19-E21 HydrophobicContact CZ-CG 4.3Å; E21-Y23 HydrophobicContact CG-CE2 3.87Å; E21-Y23 PolarHBondContact OE1-OH 2.83Å; E21-R32 CarbonylContact O-C 3.58Å; E21-R32 VanDerWaalsContact O-CA 3.23Å; E21-R32 WeakPolarHBondContact O-CA 3.4Å; E21-F33 HydrophobicContact CB-CB 4.17Å; E21-F33 PolarHBondContact N-O 2.64Å; E21-F33 PolarHBondContact O-N 3.46Å; E21-K64 WeakPolarHBondContact OE1-CE 3.47Å; E21-K64 IonicContact OE1-NZ 3.06Å; E21-K64 PolarHBondContact OE1-NZ 2.86Å; E21-K64 IonicContact OE2-NZ 2.83Å; E21-K64 PolarHBondContact OE2-NZ 2.99Å
22R98.8Very high97.3Very high47 Ų4762.5 Ų62.518%0.17730%0.304CS..EExtended strand (participates in β ladder)trans-123.4130.4-175.1-54.3-173.1-60.6-130.2-0.2111.3L6 R7 E9 I24 E29 R32L6-R22 WeakPolarHBondContact CA-O 3.41Å; R7-R22 HydrophobicContact CB-CB 4.3Å; R7-R22 PolarHBondContact N-O 3.15Å; R7-R22 PolarHBondContact O-N 3.05Å; E9-R22 VanDerWaalsContact CD-CZ 3.41Å; E9-R22 IonicContact OE1-CZ 2.64Å; E9-R22 IonicContact OE1-NH1 3.56Å; E9-R22 IonicContact OE1-NH2 2.95Å; E9-R22 PolarHBondContact OE1-NH2 3.35Å; E9-R22 IonicContact OE2-CZ 3.42Å; E9-R22 IonicContact OE2-NE 2.74Å; E9-R22 IonicContact OE2-NH1 3.5Å; E9-R22 PolarHBondContact OE2-NH1 2.91Å; E9-R22 IonicContact OE2-NH2 3.4Å; E9-R22 PolarHBondContact OE2-NH2 2.7Å; R22-I24 HydrophobicContact CB-CD1 4.35Å; R22-I24 HydrophobicContact CB-CG1 4.37Å; R22-E29 HydrophobicContact CB-CG 4.31Å; R22-E29 WeakPolarHBondContact CD-OE1 3.24Å; R22-E29 VanDerWaalsContact CG-OE1 3.25Å; R22-E29 WeakPolarHBondContact CG-OE1 3.26Å; R22-R32 HydrophobicContact CG-CG 4.14Å
23Y98.7Very high97.4Very high36 Ų3660.3 Ų60.314%0.14129%0.286CS..EExtended strand (participates in β ladder)trans-105.1118.6176.3-66-95.1000109.2Y4 L6 E21 L30 V31 F40 W54Y4-Y23 HydrophobicContact CE1-CD1 4.07Å; Y4-Y23 AromaticContact CZ-CD1 3.99Å; Y4-Y23 WeakPolarHBondContact OH-CD1 3.47Å; L6-Y23 HydrophobicContact CD1-CD1 3.88Å; L6-Y23 HydrophobicContact CD1-CD2 4.31Å; L6-Y23 HydrophobicContact CD1-CE1 3.66Å; L6-Y23 HydrophobicContact CD1-CE2 4.05Å; L6-Y23 HydrophobicContact CD1-CG 4.25Å; E21-Y23 HydrophobicContact CG-CE2 3.87Å; E21-Y23 PolarHBondContact OE1-OH 2.83Å; Y23-L30 PolarHBondContact O-N 3.49Å; Y23-V31 HydrophobicContact CD2-CG1 3.92Å; Y23-V31 HydrophobicContact CG-CG1 4.09Å; Y23-V31 PolarHBondContact N-O 3.26Å; Y23-F40 HydrophobicContact CE2-CE1 4.06Å; Y23-W54 AromaticContact CD1-CH2 3.87Å; Y23-W54 HydrophobicContact CD1-CH2 3.87Å; Y23-W54 AromaticContact CD2-CH2 3.75Å; Y23-W54 HydrophobicContact CD2-CH2 3.75Å; Y23-W54 AromaticContact CD2-CZ3 3.59Å; Y23-W54 HydrophobicContact CD2-CZ3 3.59Å; Y23-W54 AromaticContact CE1-CH2 3.59Å; Y23-W54 HydrophobicContact CE1-CH2 3.59Å; Y23-W54 HydrophobicContact CE1-CZ2 4.35Å; Y23-W54 HydrophobicContact CE1-CZ3 4.32Å; Y23-W54 HydrophobicContact CE2-CE3 4.43Å; Y23-W54 AromaticContact CE2-CH2 3.51Å; Y23-W54 HydrophobicContact CE2-CH2 3.51Å; Y23-W54 AromaticContact CE2-CZ3 3.35Å; Y23-W54 HydrophobicContact CE2-CZ3 3.35Å; Y23-W54 AromaticContact CG-CH2 3.91Å; Y23-W54 HydrophobicContact CG-CH2 3.91Å; Y23-W54 HydrophobicContact CG-CZ3 4.18Å; Y23-W54 AromaticContact CZ-CH2 3.39Å; Y23-W54 AromaticContact CZ-CZ3 3.72Å
24I98.8Very high97.6Very high19 Ų1954 Ų5410%0.09726%0.259CS..EExtended strand (participates in β ladder)trans-126.9124.3-167.9-57.9162.5000109.4Y4 Q5 R7 R22 E28 E29Y4-I24 CarbonylContact C-O 3.53Å; Y4-I24 WeakPolarHBondContact CA-O 3.42Å; Q5-I24 HydrophobicContact CB-CB 4.25Å; Q5-I24 PolarHBondContact N-O 3.27Å; Q5-I24 PolarHBondContact O-N 3.32Å; R7-I24 HydrophobicContact CG-CD1 3.88Å; R22-I24 HydrophobicContact CB-CD1 4.35Å; R22-I24 HydrophobicContact CB-CG1 4.37Å; I24-E28 CarbonylContact C-O 3.58Å; I24-E28 WeakPolarHBondContact CA-O 3.5Å; I24-E29 HydrophobicContact CG1-CB 4.12Å; I24-E29 HydrophobicContact CG1-CG 4.15Å
25Y98.1Very high97.9Very high93 Ų9348.7 Ų48.737%0.36523%0.233SC..EExtended strand (participates in β ladder)trans-103.6118.9171.2-176.2-110.6000110.2Y2 Y4 R27 E28Y2-Y25 WeakPolarHBondContact CB-OH 3.18Å; Y2-Y25 HydrophobicContact CD2-CE2 4.28Å; Y2-Y25 HydrophobicContact CG-CE2 4.49Å; Y4-Y25 HydrophobicContact CD2-CD2 4.12Å; Y25-R27 VanDerWaalsContact C-N 3.33Å; Y25-R27 PolarHBondContact O-N 3.29Å; Y25-E28 PolarHBondContact N-O 3.47Å; Y25-E28 PolarHBondContact O-N 2.87Å
26N96.7Very high98.3Very high62 Ų6251 Ų5133%0.33223%0.231SC..THydrogen-bonded Turntrans56-86.2-167.8-59-50.5000112.3Y2 V3 Q5Y2-N26 WeakPolarHBondContact CA-OD1 3.2Å; V3-N26 PolarHBondContact N-OD1 3.04Å; V3-N26 PolarHBondContact O-N 3.27Å; Q5-N26 PolarHBondContact OE1-O 2.98Å
27R96.6Very high98.4Very high241 Ų24150.7 Ų50.791%0.90923%0.228SC*.THydrogen-bonded Turntrans-135.84.5176.1-62.7-177.366.3-178.60.2112.1Y25Y25-R27 VanDerWaalsContact C-N 3.33Å; Y25-R27 PolarHBondContact O-N 3.29Å
28E98.1Very high98.4Very high84 Ų8450 Ų5039%0.39323%0.228SC..EExtended strand (participates in β ladder)trans-97.6118179.3-171.2-179.1156.900108.4I24 Y25 L30 T44I24-E28 CarbonylContact C-O 3.58Å; I24-E28 WeakPolarHBondContact CA-O 3.5Å; Y25-E28 PolarHBondContact N-O 3.47Å; Y25-E28 PolarHBondContact O-N 2.87Å; E28-L30 HydrophobicContact CG-CD2 4.22Å; E28-T44 HydrophobicContact CG-CG2 3.79Å; E28-T44 VanDerWaalsContact OE1-CB 3.25Å; E28-T44 WeakPolarHBondContact OE1-CB 3.46Å; E28-T44 VanDerWaalsContact OE1-CG2 3.28Å; E28-T44 WeakPolarHBondContact OE1-CG2 3.45Å; E28-T44 PolarHBondContact OE1-OG1 3.44Å
29E98.6Very high98.4Very high35 Ų3548.4 Ų48.416%0.16422%0.224CC..EExtended strand (participates in β ladder)trans-76.7123.9172.6-174.3179.517200109.2R22 I24 R32 V43 T44R22-E29 HydrophobicContact CB-CG 4.31Å; R22-E29 WeakPolarHBondContact CD-OE1 3.24Å; R22-E29 VanDerWaalsContact CG-OE1 3.25Å; R22-E29 WeakPolarHBondContact CG-OE1 3.26Å; I24-E29 HydrophobicContact CG1-CB 4.12Å; I24-E29 HydrophobicContact CG1-CG 4.15Å; E29-R32 WeakPolarHBondContact OE1-CB 3.43Å; E29-R32 IonicContact OE1-CZ 3.49Å; E29-R32 VanDerWaalsContact OE1-CZ 3.22Å; E29-R32 IonicContact OE1-NE 3.6Å; E29-R32 PolarHBondContact OE1-NE 3.05Å; E29-R32 IonicContact OE1-NH2 3.03Å; E29-R32 PolarHBondContact OE1-NH2 3.31Å; E29-R32 IonicContact OE2-CZ 3.74Å; E29-R32 IonicContact OE2-NE 3.75Å; E29-R32 IonicContact OE2-NH2 3.04Å; E29-R32 PolarHBondContact OE2-NH2 3.35Å; E29-V43 HydrophobicContact CB-CB 4.46Å; E29-V43 HydrophobicContact CB-CG1 4.22Å; E29-V43 HydrophobicContact CG-CB 4.23Å; E29-V43 HydrophobicContact CG-CG1 4.38Å; E29-V43 HydrophobicContact CG-CG2 4Å; E29-V43 WeakPolarHBondContact O-CB 3.3Å; E29-T44 WeakPolarHBondContact O-CG2 3.46Å
30L98.7Very high98.4Very high17 Ų1748.3 Ų48.39%0.08922%0.223CC..EExtended strand (participates in β ladder)trans-91.8-50.8-173.5-53.8-175.8000111.3Y4 Y23 E28 V43 T44 L46 G47Y4-L30 HydrophobicContact CE2-CD1 4.38Å; Y23-L30 PolarHBondContact O-N 3.49Å; E28-L30 HydrophobicContact CG-CD2 4.22Å; L30-V43 PolarHBondContact O-N 2.78Å; L30-T44 PolarHBondContact O-N 3.01Å; L30-L46 HydrophobicContact CD2-CB 4.03Å; L30-L46 HydrophobicContact CD2-CD1 4.23Å; L30-G47 WeakPolarHBondContact O-CA 3.22Å
31V98.8Very high98.4Very high0 Ų053.8 Ų53.80%024%0.243CC..EExtended strand (participates in β ladder)trans-149.4148.6-174.260.30000109.9Y23 F40 R41 D50 W54Y23-V31 HydrophobicContact CD2-CG1 3.92Å; Y23-V31 HydrophobicContact CG-CG1 4.09Å; Y23-V31 PolarHBondContact N-O 3.26Å; V31-F40 HydrophobicContact CG2-CB 4.05Å; V31-F40 HydrophobicContact CG2-CD1 4.28Å; V31-R41 WeakPolarHBondContact CA-O 3.34Å; V31-D50 HydrophobicContact CB-CB 4.39Å; V31-D50 HydrophobicContact CG1-CB 3.95Å; V31-D50 HydrophobicContact CG2-CB 4.41Å; V31-W54 HydrophobicContact CG1-CE3 4.36Å; V31-W54 HydrophobicContact CG1-CH2 4.03Å; V31-W54 HydrophobicContact CG1-CZ3 3.51Å; V31-W54 HydrophobicContact CG2-CE3 4.36Å; V31-W54 HydrophobicContact CG2-CZ3 4.23Å
32R98.8Very high98.4Very high74 Ų7455 Ų5528%0.27925%0.254SS..EExtended strand (participates in β ladder)trans-138136.4-175.4174.6-172.4-61.4-178.714.2111.7L20 E21 R22 E29 F40 R41 V43L20-R32 VanDerWaalsContact CD2-CD 3.42Å; L20-R32 HydrophobicContact CD2-CG 3.79Å; E21-R32 CarbonylContact O-C 3.58Å; E21-R32 VanDerWaalsContact O-CA 3.23Å; E21-R32 WeakPolarHBondContact O-CA 3.4Å; R22-R32 HydrophobicContact CG-CG 4.14Å; E29-R32 WeakPolarHBondContact OE1-CB 3.43Å; E29-R32 IonicContact OE1-CZ 3.49Å; E29-R32 VanDerWaalsContact OE1-CZ 3.22Å; E29-R32 IonicContact OE1-NE 3.6Å; E29-R32 PolarHBondContact OE1-NE 3.05Å; E29-R32 IonicContact OE1-NH2 3.03Å; E29-R32 PolarHBondContact OE1-NH2 3.31Å; E29-R32 IonicContact OE2-CZ 3.74Å; E29-R32 IonicContact OE2-NE 3.75Å; E29-R32 IonicContact OE2-NH2 3.04Å; E29-R32 PolarHBondContact OE2-NH2 3.35Å; R32-F40 CarbonylContact O-C 3.58Å; R32-F40 VanDerWaalsContact O-CA 3.24Å; R32-F40 WeakPolarHBondContact O-CA 3.35Å; R32-R41 PolarHBondContact N-O 2.83Å; R32-R41 PolarHBondContact O-N 2.68Å; R32-V43 HydrophobicContact CB-CG2 4.04Å
33F98.9Very high98.4Very high0 Ų056.2 Ų56.20%027%0.266CS..EExtended strand (participates in β ladder)trans-94.4135.8155.4-176.7-89.8000109.7F19 L20 E21 G38 F40 L61 K64 R65F19-F33 AromaticContact CD1-CD1 3.87Å; F19-F33 HydrophobicContact CD1-CD1 3.87Å; F19-F33 HydrophobicContact CD1-CE1 4.1Å; F19-F33 HydrophobicContact CE1-CD1 4.12Å; L20-F33 WeakPolarHBondContact CA-O 3.16Å; E21-F33 HydrophobicContact CB-CB 4.17Å; E21-F33 PolarHBondContact N-O 2.64Å; E21-F33 PolarHBondContact O-N 3.46Å; F33-G38 VanDerWaalsContact CE2-C 3.47Å; F33-F40 HydrophobicContact CB-CD1 3.67Å; F33-F40 HydrophobicContact CB-CE1 3.57Å; F33-F40 HydrophobicContact CB-CG 4.23Å; F33-F40 HydrophobicContact CB-CZ 4.02Å; F33-F40 HydrophobicContact CD2-CD2 4.08Å; F33-F40 HydrophobicContact CD2-CE2 4.04Å; F33-F40 HydrophobicContact CD2-CG 4.35Å; F33-F40 HydrophobicContact CD2-CZ 4.3Å; F33-F40 HydrophobicContact CG-CE1 4.47Å; F33-F40 HydrophobicContact CG-CZ 4.49Å; F33-L61 HydrophobicContact CE2-CD2 4.18Å; F33-K64 HydrophobicContact CD1-CB 3.93Å; F33-K64 HydrophobicContact CD2-CB 3.79Å; F33-K64 HydrophobicContact CD2-CG 4.38Å; F33-K64 HydrophobicContact CE1-CB 3.71Å; F33-K64 WeakPolarHBondContact CE1-O 3.25Å; F33-K64 HydrophobicContact CE2-CB 3.55Å; F33-K64 HydrophobicContact CG-CB 3.98Å; F33-K64 HydrophobicContact CG-CG 4.48Å; F33-K64 HydrophobicContact CZ-CB 3.51Å; F33-R65 HydrophobicContact CE2-CG 4.47Å; F33-R65 HydrophobicContact CZ-CG 3.95Å
34D98.8Very high98.4Very high13 Ų1356.3 Ų56.37%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-129.8123173.9-168.6-27.7000108.6R18 L20 D36 V37 G38R18-D34 IonicContact CZ-OD1 3.47Å; R18-D34 IonicContact CZ-OD2 3.51Å; R18-D34 IonicContact NE-OD1 2.8Å; R18-D34 PolarHBondContact NE-OD1 3.37Å; R18-D34 IonicContact NE-OD2 2.59Å; R18-D34 IonicContact NH2-OD1 2.85Å; R18-D34 PolarHBondContact NH2-OD1 3.13Å; R18-D34 IonicContact NH2-OD2 3.68Å; R18-D34 PolarHBondContact NH2-OD2 3.04Å; L20-D34 HydrophobicContact CD2-CB 4.04Å; D34-D36 PolarHBondContact O-N 3.5Å; D34-D36 PolarHBondContact OD1-N 2.95Å; D34-V37 HydrophobicContact CB-CB 4.23Å; D34-V37 HydrophobicContact CB-CG2 4.08Å; D34-V37 CarbonylContact O-C 3.52Å; D34-V37 PolarHBondContact O-N 2.9Å; D34-G38 PolarHBondContact O-N 3.2Å
35S98.6Very high98.4Very high27 Ų2761.6 Ų61.619%0.18930%0.295CS..THydrogen-bonded Turntrans-62.2-26.5-17761.40000113.6R18 F19 V37R18-S35 WeakPolarHBondContact CA-OG 3.33Å; F19-S35 PolarHBondContact N-OG 3.43Å; F19-S35 PolarHBondContact O-N 2.86Å; F19-S35 PolarHBondContact O-OG 2.64Å; S35-V37 PolarHBondContact O-N 3.22Å
36D98.2Very high98.3Very high112 Ų11262.4 Ų62.460%0.59931%0.305SS*.THydrogen-bonded Turntrans-71.3-24.3176.8-68.9-4.3000111.5R18 D34R18-D36 WeakPolarHBondContact CD-OD2 3.46Å; R18-D36 IonicContact CZ-OD2 2.63Å; R18-D36 IonicContact NE-OD2 2.91Å; R18-D36 PolarHBondContact NE-OD2 2.73Å; R18-D36 IonicContact NH1-OD2 3.81Å; D34-D36 PolarHBondContact O-N 3.5Å; D34-D36 PolarHBondContact OD1-N 2.95Å
37V98.6Very high98.4Very high80 Ų8059.4 Ų59.449%0.48529%0.289SS..THydrogen-bonded Turntrans-94.4-36.8176.7-179.60000110.8D34 S35 E39 R41D34-V37 HydrophobicContact CB-CB 4.23Å; D34-V37 HydrophobicContact CB-CG2 4.08Å; D34-V37 CarbonylContact O-C 3.52Å; D34-V37 PolarHBondContact O-N 2.9Å; S35-V37 PolarHBondContact O-N 3.22Å; V37-E39 HydrophobicContact CG1-CG 3.91Å; V37-R41 HydrophobicContact CG1-CG 4.36Å
38G98.5Very high98.5Very high9 Ų954.2 Ų54.29%0.09327%0.27CS..THydrogen-bonded Turntrans81.414.1175.300000114.9F33 D34 R65F33-G38 VanDerWaalsContact CE2-C 3.47Å; D34-G38 PolarHBondContact O-N 3.2Å; G38-R65 VanDerWaalsContact O-CZ 3.24Å; G38-R65 PolarHBondContact O-NE 3.18Å; G38-R65 PolarHBondContact O-NH2 2.98Å
39E98.8Very high98.6Very high55 Ų5554.3 Ų54.326%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-154.5167.6178.259.6-176.6-168.200111.1V37 R41 N55 L61V37-E39 HydrophobicContact CG1-CG 3.91Å; E39-R41 IonicContact OE1-CZ 2.68Å; E39-R41 IonicContact OE1-NE 2.61Å; E39-R41 PolarHBondContact OE1-NE 3.45Å; E39-R41 IonicContact OE1-NH2 3.19Å; E39-R41 PolarHBondContact OE1-NH2 2.82Å; E39-N55 WeakPolarHBondContact CB-OD1 3.23Å; E39-L61 HydrophobicContact CB-CD2 4.14Å
40F98.8Very high98.6Very high1 Ų155 Ų550%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-75.9143.6173.3-67.3-89.9000110.2Y23 V31 R32 F33 E51 W54 N55 L60 L61 K64Y23-F40 HydrophobicContact CE2-CE1 4.06Å; V31-F40 HydrophobicContact CG2-CB 4.05Å; V31-F40 HydrophobicContact CG2-CD1 4.28Å; R32-F40 CarbonylContact O-C 3.58Å; R32-F40 VanDerWaalsContact O-CA 3.24Å; R32-F40 WeakPolarHBondContact O-CA 3.35Å; F33-F40 HydrophobicContact CB-CD1 3.67Å; F33-F40 HydrophobicContact CB-CE1 3.57Å; F33-F40 HydrophobicContact CB-CG 4.23Å; F33-F40 HydrophobicContact CB-CZ 4.02Å; F33-F40 HydrophobicContact CD2-CD2 4.08Å; F33-F40 HydrophobicContact CD2-CE2 4.04Å; F33-F40 HydrophobicContact CD2-CG 4.35Å; F33-F40 HydrophobicContact CD2-CZ 4.3Å; F33-F40 HydrophobicContact CG-CE1 4.47Å; F33-F40 HydrophobicContact CG-CZ 4.49Å; F40-E51 WeakPolarHBondContact O-CG 3.13Å; F40-W54 HydrophobicContact CB-CE3 4.44Å; F40-W54 HydrophobicContact CD1-CD2 4.43Å; F40-W54 AromaticContact CD1-CE3 3.34Å; F40-W54 HydrophobicContact CD1-CE3 3.34Å; F40-W54 AromaticContact CD1-CZ3 3.79Å; F40-W54 HydrophobicContact CD1-CZ3 3.79Å; F40-W54 HydrophobicContact CD2-CB 3.59Å; F40-W54 HydrophobicContact CD2-CE3 4.23Å; F40-W54 HydrophobicContact CE1-CD2 4.35Å; F40-W54 AromaticContact CE1-CE3 3.42Å; F40-W54 HydrophobicContact CE1-CE3 3.42Å; F40-W54 VanDerWaalsContact CE1-CE3 3.42Å; F40-W54 AromaticContact CE1-CZ3 3.74Å; F40-W54 HydrophobicContact CE1-CZ3 3.74Å; F40-W54 HydrophobicContact CE2-CB 3.84Å; F40-W54 HydrophobicContact CE2-CE3 4.32Å; F40-W54 HydrophobicContact CG-CB 4.07Å; F40-W54 AromaticContact CG-CE3 3.75Å; F40-W54 HydrophobicContact CG-CE3 3.75Å; F40-W54 HydrophobicContact CZ-CB 4.49Å; F40-W54 HydrophobicContact CZ-CD2 4.45Å; F40-W54 AromaticContact CZ-CE3 3.93Å; F40-W54 HydrophobicContact CZ-CE3 3.93Å; F40-N55 PolarHBondContact N-OD1 2.92Å; F40-N55 PolarHBondContact O-ND2 2.94Å; F40-L60 HydrophobicContact CE2-CD2 4.01Å; F40-L60 HydrophobicContact CE2-CG 4.16Å; F40-L60 HydrophobicContact CZ-CD2 4.35Å; F40-L61 HydrophobicContact CD2-CD2 4.03Å; F40-L61 HydrophobicContact CE2-CD2 4.29Å; F40-K64 HydrophobicContact CE2-CG 4.18Å; F40-K64 HydrophobicContact CZ-CD 4.37Å; F40-K64 HydrophobicContact CZ-CG 3.92Å
41R98.8Very high98.6Very high123 Ų12355.5 Ų55.546%0.46428%0.284SS..EExtended strand (participates in β ladder)trans-134.6127.7174.7-69.6-60-171.9169.91.6109.9V31 R32 V37 E39 V43 E51V31-R41 WeakPolarHBondContact CA-O 3.34Å; R32-R41 PolarHBondContact N-O 2.83Å; R32-R41 PolarHBondContact O-N 2.68Å; V37-R41 HydrophobicContact CG1-CG 4.36Å; E39-R41 IonicContact OE1-CZ 2.68Å; E39-R41 IonicContact OE1-NE 2.61Å; E39-R41 PolarHBondContact OE1-NE 3.45Å; E39-R41 IonicContact OE1-NH2 3.19Å; E39-R41 PolarHBondContact OE1-NH2 2.82Å; R41-V43 PolarHBondContact O-N 2.86Å; R41-E51 WeakPolarHBondContact CD-OE1 3.46Å; R41-E51 IonicContact CZ-OE1 2.68Å; R41-E51 IonicContact NE-OE1 3.44Å; R41-E51 IonicContact NH1-OE1 2.85Å; R41-E51 PolarHBondContact NH1-OE1 3.08Å
42A98.7Very high98.5Very high28 Ų2861 Ų6123%0.23131%0.314CS..EExtended strand (participates in β ladder)trans-63128.3170.200000108.9R48 E51A42-R48 HydrophobicContact CB-CG 4.07Å; A42-E51 HydrophobicContact CB-CB 4.21Å; A42-E51 WeakPolarHBondContact CB-OE2 3.43Å; A42-E51 PolarHBondContact N-OE2 2.94Å
43V98.6Very high98.5Very high71 Ų7164.2 Ų64.243%0.4333%0.327SS..SBendtrans-91.3-30.6174.2178.80000109.8E29 L30 R32 R41E29-V43 HydrophobicContact CB-CB 4.46Å; E29-V43 HydrophobicContact CB-CG1 4.22Å; E29-V43 HydrophobicContact CG-CB 4.23Å; E29-V43 HydrophobicContact CG-CG1 4.38Å; E29-V43 HydrophobicContact CG-CG2 4Å; E29-V43 WeakPolarHBondContact O-CB 3.3Å; L30-V43 PolarHBondContact O-N 2.78Å; R32-V43 HydrophobicContact CB-CG2 4.04Å; R41-V43 PolarHBondContact O-N 2.86Å
44T98.3Very high98.5Very high38 Ų3866 Ų6623%0.23333%0.333CS..SBendtrans-130.7167.4170.772.10000111.7E28 E29 L30 L46 G47E28-T44 HydrophobicContact CG-CG2 3.79Å; E28-T44 VanDerWaalsContact OE1-CB 3.25Å; E28-T44 WeakPolarHBondContact OE1-CB 3.46Å; E28-T44 VanDerWaalsContact OE1-CG2 3.28Å; E28-T44 WeakPolarHBondContact OE1-CG2 3.45Å; E28-T44 PolarHBondContact OE1-OG1 3.44Å; E29-T44 WeakPolarHBondContact O-CG2 3.46Å; L30-T44 PolarHBondContact O-N 3.01Å; T44-L46 PolarHBondContact O-N 3.03Å; T44-L46 VanDerWaalsContact O-N 3.13Å; T44-G47 PolarHBondContact O-N 3.48Å
45E97.9Very high98.5Very high130 Ų13066.7 Ų66.761%0.60734%0.337SS*.G310 helixtrans-53.3-34-179.8-65.9-60.7135.800113.3G47 R48E45-G47 PolarHBondContact O-N 3.39Å; E45-R48 VanDerWaalsContact CD-NH2 3.27Å; E45-R48 PolarHBondContact O-N 2.95Å; E45-R48 IonicContact OE1-CZ 2.92Å; E45-R48 IonicContact OE1-NE 3.22Å; E45-R48 PolarHBondContact OE1-NE 2.9Å; E45-R48 IonicContact OE1-NH2 2.7Å; E45-R48 PolarHBondContact OE1-NH2 3.34Å; E45-R48 IonicContact OE2-CZ 3.22Å; E45-R48 IonicContact OE2-NE 3.55Å; E45-R48 PolarHBondContact OE2-NE 2.92Å; E45-R48 IonicContact OE2-NH2 3.05Å; E45-R48 PolarHBondContact OE2-NH2 3.4Å
46L97.5Very high98.5Very high110 Ų11069 Ų6958%0.57635%0.353SS*.G310 helixtrans-66.1-24.3179.5-69.7176.9000113L30 T44 P49L30-L46 HydrophobicContact CD2-CB 4.03Å; L30-L46 HydrophobicContact CD2-CD1 4.23Å; T44-L46 PolarHBondContact O-N 3.03Å; T44-L46 VanDerWaalsContact O-N 3.13Å; L46-P49 WeakPolarHBondContact O-CD 3.43Å
47G98.6Very high98.6Very high0 Ų066.8 Ų66.80%034%0.339CS..G310 helixtrans-87.6-6.7179.900000115.2L30 T44 E45 P49 D50 E51L30-G47 WeakPolarHBondContact O-CA 3.22Å; T44-G47 PolarHBondContact O-N 3.48Å; E45-G47 PolarHBondContact O-N 3.39Å; G47-P49 VanDerWaalsContact C-CD 3.49Å; G47-D50 PolarHBondContact O-N 3.15Å; G47-D50 VanDerWaalsContact O-N 3.15Å; G47-E51 PolarHBondContact O-N 3.12Å
48R98.7Very high98.5Very high132 Ų13269.1 Ų69.150%0.49834%0.343SS..Hα-helixtrans-56.6-43.4-179.1-68.4-174.5-170.7-124.14.7113.7A42 E45 D50 E51 D52A42-R48 HydrophobicContact CB-CG 4.07Å; E45-R48 VanDerWaalsContact CD-NH2 3.27Å; E45-R48 PolarHBondContact O-N 2.95Å; E45-R48 IonicContact OE1-CZ 2.92Å; E45-R48 IonicContact OE1-NE 3.22Å; E45-R48 PolarHBondContact OE1-NE 2.9Å; E45-R48 IonicContact OE1-NH2 2.7Å; E45-R48 PolarHBondContact OE1-NH2 3.34Å; E45-R48 IonicContact OE2-CZ 3.22Å; E45-R48 IonicContact OE2-NE 3.55Å; E45-R48 PolarHBondContact OE2-NE 2.92Å; E45-R48 IonicContact OE2-NH2 3.05Å; E45-R48 PolarHBondContact OE2-NH2 3.4Å; R48-D50 VanDerWaalsContact C-N 3.26Å; R48-D50 PolarHBondContact O-N 3.31Å; R48-E51 PolarHBondContact O-N 2.93Å; R48-D52 PolarHBondContact O-N 2.61Å
49P98.7Very high98.5Very high85 Ų8575.1 Ų75.155%0.55237%0.373SS*.Hα-helixtrans-61.9-36178-22.435000112.7L46 G47 Y53L46-P49 WeakPolarHBondContact O-CD 3.43Å; G47-P49 VanDerWaalsContact C-CD 3.49Å; P49-Y53 VanDerWaalsContact O-CB 3.24Å; P49-Y53 WeakPolarHBondContact O-CB 3.39Å; P49-Y53 PolarHBondContact O-N 2.91Å
50D98.6Very high98.5Very high49 Ų4974.2 Ų74.226%0.26237%0.37SS..Hα-helixtrans-71.4-41.6178.3-63.6-41.4000111.3V31 G47 R48 Y53 W54V31-D50 HydrophobicContact CB-CB 4.39Å; V31-D50 HydrophobicContact CG1-CB 3.95Å; V31-D50 HydrophobicContact CG2-CB 4.41Å; G47-D50 PolarHBondContact O-N 3.15Å; G47-D50 VanDerWaalsContact O-N 3.15Å; R48-D50 VanDerWaalsContact C-N 3.26Å; R48-D50 PolarHBondContact O-N 3.31Å; D50-Y53 PolarHBondContact O-N 2.59Å; D50-W54 HydrophobicContact CB-CD2 4.3Å; D50-W54 HydrophobicContact CB-CE3 4.16Å; D50-W54 HydrophobicContact CB-CH2 4.27Å; D50-W54 HydrophobicContact CB-CZ2 4.37Å; D50-W54 HydrophobicContact CB-CZ3 4.18Å; D50-W54 VanDerWaalsContact O-CB 3.26Å; D50-W54 WeakPolarHBondContact O-CB 3.49Å; D50-W54 VanDerWaalsContact O-CG 3.3Å; D50-W54 PolarHBondContact O-N 3.48Å
51E98.8Very high98.5Very high29 Ų2974.3 Ų74.314%0.13637%0.37CS..Hα-helixtrans-54.6-54.5172.2172.7173.4-175.700111F40 R41 A42 G47 R48 Y53 N55F40-E51 WeakPolarHBondContact O-CG 3.13Å; R41-E51 WeakPolarHBondContact CD-OE1 3.46Å; R41-E51 IonicContact CZ-OE1 2.68Å; R41-E51 IonicContact NE-OE1 3.44Å; R41-E51 IonicContact NH1-OE1 2.85Å; R41-E51 PolarHBondContact NH1-OE1 3.08Å; A42-E51 HydrophobicContact CB-CB 4.21Å; A42-E51 WeakPolarHBondContact CB-OE2 3.43Å; A42-E51 PolarHBondContact N-OE2 2.94Å; G47-E51 PolarHBondContact O-N 3.12Å; R48-E51 PolarHBondContact O-N 2.93Å; E51-Y53 PolarHBondContact O-N 2.84Å; E51-N55 WeakPolarHBondContact CG-ND2 3.28Å; E51-N55 WeakPolarHBondContact O-CB 3.47Å; E51-N55 PolarHBondContact O-N 2.91Å; E51-N55 PolarHBondContact O-ND2 2.85Å
52D98.6Very high98.5Very high116 Ų11674.5 Ų74.562%0.6238%0.376SS*.Hα-helixtrans-61.6-46.5-177.5-71.6-22.4000111.3R48 S56R48-D52 PolarHBondContact O-N 2.61Å; D52-S56 WeakPolarHBondContact O-CB 3.35Å; D52-S56 PolarHBondContact O-N 3Å
53Y98.8Very high98.5Very high141 Ų14178.9 Ų78.955%0.55339%0.392SS*.Hα-helixtrans-69.1-45.7-177.3178.5-118000112.4P49 D50 E51 S56 Q57P49-Y53 VanDerWaalsContact O-CB 3.24Å; P49-Y53 WeakPolarHBondContact O-CB 3.39Å; P49-Y53 PolarHBondContact O-N 2.91Å; D50-Y53 PolarHBondContact O-N 2.59Å; E51-Y53 PolarHBondContact O-N 2.84Å; Y53-S56 PolarHBondContact O-N 2.83Å; Y53-S56 PolarHBondContact O-OG 2.85Å; Y53-Q57 PolarHBondContact O-NE2 3.38Å
54W98.8Very high98.5Very high38 Ų3876.3 Ų76.314%0.14438%0.375CS..Hα-helixtrans-73-35.1-178.5-65.2-17.9000112.4Y23 V31 F40 D50 S56 Q57 L60Y23-W54 AromaticContact CD1-CH2 3.87Å; Y23-W54 HydrophobicContact CD1-CH2 3.87Å; Y23-W54 AromaticContact CD2-CH2 3.75Å; Y23-W54 HydrophobicContact CD2-CH2 3.75Å; Y23-W54 AromaticContact CD2-CZ3 3.59Å; Y23-W54 HydrophobicContact CD2-CZ3 3.59Å; Y23-W54 AromaticContact CE1-CH2 3.59Å; Y23-W54 HydrophobicContact CE1-CH2 3.59Å; Y23-W54 HydrophobicContact CE1-CZ2 4.35Å; Y23-W54 HydrophobicContact CE1-CZ3 4.32Å; Y23-W54 HydrophobicContact CE2-CE3 4.43Å; Y23-W54 AromaticContact CE2-CH2 3.51Å; Y23-W54 HydrophobicContact CE2-CH2 3.51Å; Y23-W54 AromaticContact CE2-CZ3 3.35Å; Y23-W54 HydrophobicContact CE2-CZ3 3.35Å; Y23-W54 AromaticContact CG-CH2 3.91Å; Y23-W54 HydrophobicContact CG-CH2 3.91Å; Y23-W54 HydrophobicContact CG-CZ3 4.18Å; Y23-W54 AromaticContact CZ-CH2 3.39Å; Y23-W54 AromaticContact CZ-CZ3 3.72Å; V31-W54 HydrophobicContact CG1-CE3 4.36Å; V31-W54 HydrophobicContact CG1-CH2 4.03Å; V31-W54 HydrophobicContact CG1-CZ3 3.51Å; V31-W54 HydrophobicContact CG2-CE3 4.36Å; V31-W54 HydrophobicContact CG2-CZ3 4.23Å; F40-W54 HydrophobicContact CB-CE3 4.44Å; F40-W54 HydrophobicContact CD1-CD2 4.43Å; F40-W54 AromaticContact CD1-CE3 3.34Å; F40-W54 HydrophobicContact CD1-CE3 3.34Å; F40-W54 AromaticContact CD1-CZ3 3.79Å; F40-W54 HydrophobicContact CD1-CZ3 3.79Å; F40-W54 HydrophobicContact CD2-CB 3.59Å; F40-W54 HydrophobicContact CD2-CE3 4.23Å; F40-W54 HydrophobicContact CE1-CD2 4.35Å; F40-W54 AromaticContact CE1-CE3 3.42Å; F40-W54 HydrophobicContact CE1-CE3 3.42Å; F40-W54 VanDerWaalsContact CE1-CE3 3.42Å; F40-W54 AromaticContact CE1-CZ3 3.74Å; F40-W54 HydrophobicContact CE1-CZ3 3.74Å; F40-W54 HydrophobicContact CE2-CB 3.84Å; F40-W54 HydrophobicContact CE2-CE3 4.32Å; F40-W54 HydrophobicContact CG-CB 4.07Å; F40-W54 AromaticContact CG-CE3 3.75Å; F40-W54 HydrophobicContact CG-CE3 3.75Å; F40-W54 HydrophobicContact CZ-CB 4.49Å; F40-W54 HydrophobicContact CZ-CD2 4.45Å; F40-W54 AromaticContact CZ-CE3 3.93Å; F40-W54 HydrophobicContact CZ-CE3 3.93Å; D50-W54 HydrophobicContact CB-CD2 4.3Å; D50-W54 HydrophobicContact CB-CE3 4.16Å; D50-W54 HydrophobicContact CB-CH2 4.27Å; D50-W54 HydrophobicContact CB-CZ2 4.37Å; D50-W54 HydrophobicContact CB-CZ3 4.18Å; D50-W54 VanDerWaalsContact O-CB 3.26Å; D50-W54 WeakPolarHBondContact O-CB 3.49Å; D50-W54 VanDerWaalsContact O-CG 3.3Å; D50-W54 PolarHBondContact O-N 3.48Å; W54-S56 PolarHBondContact O-N 2.9Å; W54-Q57 PolarHBondContact O-N 2.93Å; W54-L60 HydrophobicContact CB-CD2 3.84Å; W54-L60 HydrophobicContact CG-CD2 3.9Å
55N98.8Very high98.5Very high26 Ų2680.5 Ų80.514%0.13939%0.387CS..Hα-helixtrans-70.1-19175.6-70.4-20.8000113.5E39 F40 E51 Q57 K58 L61E39-N55 WeakPolarHBondContact CB-OD1 3.23Å; F40-N55 PolarHBondContact N-OD1 2.92Å; F40-N55 PolarHBondContact O-ND2 2.94Å; E51-N55 WeakPolarHBondContact CG-ND2 3.28Å; E51-N55 WeakPolarHBondContact O-CB 3.47Å; E51-N55 PolarHBondContact O-N 2.91Å; E51-N55 PolarHBondContact O-ND2 2.85Å; N55-Q57 VanDerWaalsContact C-N 3.3Å; N55-K58 PolarHBondContact O-NZ 2.9Å; N55-L61 WeakPolarHBondContact O-CD1 3.44Å
56S98.5Very high98.6Very high76 Ų7676 Ų7653%0.53137%0.371SS..Hα-helixtrans-73.7-21.3170.882.80000113.1D52 Y53 W54 K58D52-S56 WeakPolarHBondContact O-CB 3.35Å; D52-S56 PolarHBondContact O-N 3Å; Y53-S56 PolarHBondContact O-N 2.83Å; Y53-S56 PolarHBondContact O-OG 2.85Å; W54-S56 PolarHBondContact O-N 2.9Å; S56-K58 PolarHBondContact O-N 2.93Å
57Q98.7Very high98.6Very high65 Ų6571.4 Ų71.430%0.30435%0.348SS..  trans-91.6100-178.5-66.6177.872.100111.2Y53 W54 N55 L60 L61Y53-Q57 PolarHBondContact O-NE2 3.38Å; W54-Q57 PolarHBondContact O-N 2.93Å; N55-Q57 VanDerWaalsContact C-N 3.3Å; Q57-L60 HydrophobicContact CB-CB 3.88Å; Q57-L60 HydrophobicContact CB-CD2 4.45Å; Q57-L60 PolarHBondContact O-N 2.83Å; Q57-L61 PolarHBondContact O-N 3.23Å; Q57-L61 VanDerWaalsContact O-N 3.12Å
58K98.3Very high98.6Very high129 Ų12972 Ų7256%0.56135%0.351SS*.Hα-helixtrans-65.5-42.7-175.5-60.4-53.3176.8-1600113.4N55 S56 L60 L61 E62N55-K58 PolarHBondContact O-NZ 2.9Å; S56-K58 PolarHBondContact O-N 2.93Å; K58-L60 VanDerWaalsContact C-N 3.28Å; K58-L60 PolarHBondContact O-N 2.89Å; K58-L61 PolarHBondContact O-N 3.35Å; K58-L61 VanDerWaalsContact O-N 3.15Å; K58-E62 WeakPolarHBondContact O-CG 3.1Å; K58-E62 PolarHBondContact O-N 2.74Å
59D98.5Very high98.6Very high136 Ų13670.5 Ų70.573%0.72735%0.354SS*.Hα-helixtrans-60.3-40.6178.9-56.5-13.9000111.5E62 E63D59-E62 PolarHBondContact O-N 3.17Å; D59-E63 WeakPolarHBondContact O-CB 3.4Å; D59-E63 PolarHBondContact O-N 3.09Å
60L98.4Very high98.6Very high36 Ų3675.8 Ų75.819%0.18836%0.362CS..Hα-helixtrans-64.4-45.9175.9178.163.8000111.4F40 W54 Q57 K58 E62 E63 K64F40-L60 HydrophobicContact CE2-CD2 4.01Å; F40-L60 HydrophobicContact CE2-CG 4.16Å; F40-L60 HydrophobicContact CZ-CD2 4.35Å; W54-L60 HydrophobicContact CB-CD2 3.84Å; W54-L60 HydrophobicContact CG-CD2 3.9Å; Q57-L60 HydrophobicContact CB-CB 3.88Å; Q57-L60 HydrophobicContact CB-CD2 4.45Å; Q57-L60 PolarHBondContact O-N 2.83Å; K58-L60 VanDerWaalsContact C-N 3.28Å; K58-L60 PolarHBondContact O-N 2.89Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-E62 PolarHBondContact O-N 3.35Å; L60-E63 PolarHBondContact O-N 2.91Å; L60-K64 HydrophobicContact CD1-CG 4.23Å; L60-K64 VanDerWaalsContact O-CG 3.3Å; L60-K64 WeakPolarHBondContact O-CG 3.42Å; L60-K64 PolarHBondContact O-N 2.74Å
61L98.6Very high98.5Very high3 Ų376.7 Ų76.72%0.01637%0.37CS..Hα-helixtrans-62.1-42.3177.5-77.7179.2000112.1F33 E39 F40 N55 Q57 K58 K64 R65F33-L61 HydrophobicContact CE2-CD2 4.18Å; E39-L61 HydrophobicContact CB-CD2 4.14Å; F40-L61 HydrophobicContact CD2-CD2 4.03Å; F40-L61 HydrophobicContact CE2-CD2 4.29Å; N55-L61 WeakPolarHBondContact O-CD1 3.44Å; Q57-L61 PolarHBondContact O-N 3.23Å; Q57-L61 VanDerWaalsContact O-N 3.12Å; K58-L61 PolarHBondContact O-N 3.35Å; K58-L61 VanDerWaalsContact O-N 3.15Å; L61-K64 PolarHBondContact O-N 2.8Å; L61-R65 WeakPolarHBondContact O-CB 3.37Å; L61-R65 WeakPolarHBondContact O-CD 3.48Å; L61-R65 WeakPolarHBondContact O-CG 3.44Å; L61-R65 PolarHBondContact O-N 2.8Å
62E98.6Very high98.5Very high126 Ų12675.4 Ų75.459%0.58936%0.364SS*.Hα-helixtrans-62.6-43175.9-72.9-176.7-176.800111.5K58 D59 L60 R65 A66K58-E62 WeakPolarHBondContact O-CG 3.1Å; K58-E62 PolarHBondContact O-N 2.74Å; D59-E62 PolarHBondContact O-N 3.17Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-E62 PolarHBondContact O-N 3.35Å; E62-R65 PolarHBondContact O-N 3.12Å; E62-A66 PolarHBondContact O-N 3.42Å; E62-A66 VanDerWaalsContact O-N 3.12Å
63E98.6Very high98.4Very high120 Ų12073.7 Ų73.756%0.56135%0.349SS*.Hα-helixtrans-57.7-51.7174.2-171.5-167.814600111.1D59 L60 R65 A66 V67D59-E63 WeakPolarHBondContact O-CB 3.4Å; D59-E63 PolarHBondContact O-N 3.09Å; L60-E63 PolarHBondContact O-N 2.91Å; E63-R65 PolarHBondContact O-N 2.94Å; E63-A66 WeakPolarHBondContact O-CB 3.44Å; E63-A66 PolarHBondContact O-N 3.1Å; E63-A66 VanDerWaalsContact O-N 3.09Å; E63-V67 WeakPolarHBondContact O-CG2 3.04Å; E63-V67 PolarHBondContact O-N 3.49Å
64K98.6Very high98.3Very high18 Ų1871.6 Ų71.68%0.07834%0.344CS..Hα-helixtrans-64.4-38.1-178-63.7-64.2171.3-176.70112.7F19 E21 F33 F40 L60 L61 A66 V67F19-K64 HydrophobicContact CE1-CD 4.23Å; E21-K64 WeakPolarHBondContact OE1-CE 3.47Å; E21-K64 IonicContact OE1-NZ 3.06Å; E21-K64 PolarHBondContact OE1-NZ 2.86Å; E21-K64 IonicContact OE2-NZ 2.83Å; E21-K64 PolarHBondContact OE2-NZ 2.99Å; F33-K64 HydrophobicContact CD1-CB 3.93Å; F33-K64 HydrophobicContact CD2-CB 3.79Å; F33-K64 HydrophobicContact CD2-CG 4.38Å; F33-K64 HydrophobicContact CE1-CB 3.71Å; F33-K64 WeakPolarHBondContact CE1-O 3.25Å; F33-K64 HydrophobicContact CE2-CB 3.55Å; F33-K64 HydrophobicContact CG-CB 3.98Å; F33-K64 HydrophobicContact CG-CG 4.48Å; F33-K64 HydrophobicContact CZ-CB 3.51Å; F40-K64 HydrophobicContact CE2-CG 4.18Å; F40-K64 HydrophobicContact CZ-CD 4.37Å; F40-K64 HydrophobicContact CZ-CG 3.92Å; L60-K64 HydrophobicContact CD1-CG 4.23Å; L60-K64 VanDerWaalsContact O-CG 3.3Å; L60-K64 WeakPolarHBondContact O-CG 3.42Å; L60-K64 PolarHBondContact O-N 2.74Å; L61-K64 PolarHBondContact O-N 2.8Å; K64-A66 PolarHBondContact O-N 3.44Å; K64-V67 WeakPolarHBondContact O-CB 3.36Å; K64-V67 WeakPolarHBondContact O-CG2 3.18Å; K64-V67 PolarHBondContact O-N 3.43Å
65R98.7Very high98.2Very high126 Ų12673.4 Ų73.448%0.47536%0.357SS..Hα-helixtrans-64.4-27.2174.3-72.6165.8-174.9173.5-0.7112.8F33 G38 L61 E62 E63 P68F33-R65 HydrophobicContact CE2-CG 4.47Å; F33-R65 HydrophobicContact CZ-CG 3.95Å; G38-R65 VanDerWaalsContact O-CZ 3.24Å; G38-R65 PolarHBondContact O-NE 3.18Å; G38-R65 PolarHBondContact O-NH2 2.98Å; L61-R65 WeakPolarHBondContact O-CB 3.37Å; L61-R65 WeakPolarHBondContact O-CD 3.48Å; L61-R65 WeakPolarHBondContact O-CG 3.44Å; L61-R65 PolarHBondContact O-N 2.8Å; E62-R65 PolarHBondContact O-N 3.12Å; E63-R65 PolarHBondContact O-N 2.94Å; R65-P68 WeakPolarHBondContact O-CD 3.35Å
66A98.7Very high98Very high35 Ų3576 Ų7629%0.28937%0.365SS..Hα-helixtrans-83.7-13.6177.900000113.8E62 E63 K64 P68 D69 R70E62-A66 PolarHBondContact O-N 3.42Å; E62-A66 VanDerWaalsContact O-N 3.12Å; E63-A66 WeakPolarHBondContact O-CB 3.44Å; E63-A66 PolarHBondContact O-N 3.1Å; E63-A66 VanDerWaalsContact O-N 3.09Å; K64-A66 PolarHBondContact O-N 3.44Å; A66-P68 VanDerWaalsContact C-CD 3.48Å; A66-D69 PolarHBondContact O-N 2.03Å; A66-R70 HydrophobicContact CB-CG 4.33Å; A66-R70 WeakPolarHBondContact O-CB 3.44Å; A66-R70 WeakPolarHBondContact O-CG 2.99Å; A66-R70 PolarHBondContact O-N 3.06Å
67V98.8Very high97.8Very high14 Ų1477.3 Ų77.39%0.08536%0.362CS..Hα-helixtrans-57.7-41.3-176.11800000114F19 E63 K64 D69 R70 V71 C72F19-V67 HydrophobicContact CB-CB 4.35Å; F19-V67 HydrophobicContact CB-CG1 4.17Å; F19-V67 HydrophobicContact CD1-CB 3.64Å; F19-V67 HydrophobicContact CD1-CG1 3.67Å; F19-V67 HydrophobicContact CD1-CG2 4.14Å; F19-V67 HydrophobicContact CD2-CB 4.33Å; F19-V67 HydrophobicContact CD2-CG1 3.45Å; F19-V67 VanDerWaalsContact CD2-CG1 3.45Å; F19-V67 HydrophobicContact CE1-CB 3.94Å; F19-V67 HydrophobicContact CE1-CG1 3.82Å; F19-V67 HydrophobicContact CE1-CG2 3.97Å; F19-V67 HydrophobicContact CE2-CG1 3.62Å; F19-V67 HydrophobicContact CG-CB 3.84Å; F19-V67 HydrophobicContact CG-CG1 3.46Å; F19-V67 VanDerWaalsContact CG-CG1 3.46Å; F19-V67 HydrophobicContact CZ-CB 4.41Å; F19-V67 HydrophobicContact CZ-CG1 3.79Å; F19-V67 HydrophobicContact CZ-CG2 4.42Å; E63-V67 WeakPolarHBondContact O-CG2 3.04Å; E63-V67 PolarHBondContact O-N 3.49Å; K64-V67 WeakPolarHBondContact O-CB 3.36Å; K64-V67 WeakPolarHBondContact O-CG2 3.18Å; K64-V67 PolarHBondContact O-N 3.43Å; V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 2.83Å; V67-R70 PolarHBondContact O-N 2.94Å; V67-V71 HydrophobicContact CG1-CB 3.89Å; V67-V71 HydrophobicContact CG1-CG2 4.13Å; V67-V71 PolarHBondContact O-N 3.09Å; V67-C72 PolarHBondContact O-N 2.88Å; V67-C72 VanDerWaalsContact O-N 3.09Å
68P98.7Very high97.5Very high11 Ų1178.7 Ų78.77%0.07137%0.372CS..Iπ-helixtrans-52.4-46.6177.1-28.335.3000113.7Q17 F19 R65 A66 C72 R73Q17-P68 HydrophobicContact CB-CB 4.03Å; F19-P68 HydrophobicContact CB-CG 3.8Å; R65-P68 WeakPolarHBondContact O-CD 3.35Å; A66-P68 VanDerWaalsContact C-CD 3.48Å; P68-C72 WeakPolarHBondContact O-CB 3.48Å; P68-R73 WeakPolarHBondContact O-CB 3.36Å; P68-R73 PolarHBondContact O-N 3.01Å
69D98.1Very high97.1Very high102 Ų10276.7 Ų76.755%0.54537%0.367SS..Iπ-helixtrans-86.1-26.8-177-74.3-38.4000113.4A66 V67 R73A66-D69 PolarHBondContact O-N 2.03Å; V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 2.83Å; D69-R73 IonicContact OD1-CZ 2.73Å; D69-R73 IonicContact OD1-NE 3.96Å; D69-R73 PolarHBondContact OD1-NE 3.31Å; D69-R73 IonicContact OD1-NH2 3.74Å; D69-R73 PolarHBondContact OD1-NH2 3.43Å
70R97.9Very high96.6Very high195 Ų19573.2 Ų73.274%0.73635%0.346SS*.Iπ-helixtrans-89.5-46.9-177.2-64.4-16874.2172.33.4113.5A66 V67 H74A66-R70 HydrophobicContact CB-CG 4.33Å; A66-R70 WeakPolarHBondContact O-CB 3.44Å; A66-R70 WeakPolarHBondContact O-CG 2.99Å; A66-R70 PolarHBondContact O-N 3.06Å; V67-R70 PolarHBondContact O-N 2.94Å; R70-H74 WeakPolarHBondContact O-CB 3.23Å
71V98Very high95.9Very high69 Ų6975.2 Ų75.242%0.41837%0.368SS..Iπ-helixtrans-102.4-53.2-172.7-178.10000110.3V67 H74 N75V67-V71 HydrophobicContact CG1-CB 3.89Å; V67-V71 HydrophobicContact CG1-CG2 4.13Å; V67-V71 PolarHBondContact O-N 3.09Å; V71-H74 PolarHBondContact O-N 3.47Å; V71-N75 WeakPolarHBondContact O-CB 3.24Å; V71-N75 VanDerWaalsContact O-CG 3.3Å; V71-N75 PolarHBondContact O-N 3.48Å
72C98.1Very high95.1Very high2 Ų278.4 Ų78.41%0.01439%0.388CS..Iπ-helixtrans-63.8-51.1-175-65.10000111.5C10 Q17 V67 P68 N75 Y76C10-C72 HydrophobicContact CB-CB 3.49Å; C10-C72 VanDerWaalsContact CB-CB 3.49Å; C10-C72 WeakPolarHBondContact CB-SG 3.41Å; C10-C72 WeakPolarHBondContact SG-CA 3.28Å; C10-C72 WeakPolarHBondContact SG-CB 3.25Å; C10-C72 CovalentContact SG-SG 2.03Å; C10-C72 PolarHBondContact SG-SG 2.68Å; Q17-C72 HydrophobicContact CB-CB 4.05Å; Q17-C72 HydrophobicContact CG-CB 4.21Å; V67-C72 PolarHBondContact O-N 2.88Å; V67-C72 VanDerWaalsContact O-N 3.09Å; P68-C72 WeakPolarHBondContact O-CB 3.48Å; C72-N75 PolarHBondContact O-N 3.37Å; C72-Y76 VanDerWaalsContact O-CB 3.3Å; C72-Y76 WeakPolarHBondContact O-CB 3.43Å; C72-Y76 PolarHBondContact O-N 2.91Å
73R97.6Very high94.2Very high79 Ų7975.3 Ų75.330%0.29838%0.377SS..Hα-helixtrans-59.8-48.5177.1-173.5179.1-58.5-78.7-1.7112.2G15 Q17 P68 D69 N75 Y76 E77G15-R73 PolarHBondContact O-NH1 3.3Å; Q17-R73 HydrophobicContact CG-CB 4.08Å; P68-R73 WeakPolarHBondContact O-CB 3.36Å; P68-R73 PolarHBondContact O-N 3.01Å; D69-R73 IonicContact OD1-CZ 2.73Å; D69-R73 IonicContact OD1-NE 3.96Å; D69-R73 PolarHBondContact OD1-NE 3.31Å; D69-R73 IonicContact OD1-NH2 3.74Å; D69-R73 PolarHBondContact OD1-NH2 3.43Å; R73-N75 PolarHBondContact O-N 3.43Å; R73-Y76 PolarHBondContact O-N 2.72Å; R73-E77 HydrophobicContact CG-CG 4.37Å; R73-E77 VanDerWaalsContact CG-OE1 3.24Å; R73-E77 WeakPolarHBondContact CG-OE1 3.37Å; R73-E77 WeakPolarHBondContact O-CG 3.41Å; R73-E77 PolarHBondContact O-N 3.24Å
74H96.3Very high93.3Very high98 Ų9872.6 Ų72.645%0.45437%0.366SS..Hα-helixtrans-56.5-49.4179.817666.8000112.3R70 V71 E77 L78R70-H74 WeakPolarHBondContact O-CB 3.23Å; V71-H74 PolarHBondContact O-N 3.47Å; H74-E77 PolarHBondContact O-N 3.47Å; H74-L78 WeakPolarHBondContact NE2-CD1 3.39Å; H74-L78 WeakPolarHBondContact O-CG 3.3Å; H74-L78 PolarHBondContact O-N 2.99Å; H74-L78 VanDerWaalsContact O-N 3.14Å
75N95.8Very high92.2Very high76 Ų7678.2 Ų78.241%0.40639%0.393SS..Hα-helixtrans-67.2-40.6179.8-69.1-11.6000111.5V71 C72 R73 E77 L78 D79V71-N75 WeakPolarHBondContact O-CB 3.24Å; V71-N75 VanDerWaalsContact O-CG 3.3Å; V71-N75 PolarHBondContact O-N 3.48Å; C72-N75 PolarHBondContact O-N 3.37Å; R73-N75 PolarHBondContact O-N 3.43Å; N75-E77 PolarHBondContact O-N 3.41Å; N75-L78 PolarHBondContact O-N 3.47Å; N75-D79 WeakPolarHBondContact O-CB 3.36Å; N75-D79 PolarHBondContact O-N 3.2Å
76Y94.9Very high90.7Very high80 Ų8081.3 Ų81.331%0.31441%0.405SS..Hα-helixtrans-59.8-45.4176.2179.4-90.1000111.8A12 C72 R73 L78 D79 E80 L84A12-Y76 HydrophobicContact CB-CD2 3.48Å; A12-Y76 VanDerWaalsContact CB-CD2 3.48Å; A12-Y76 HydrophobicContact CB-CE2 3.55Å; A12-Y76 HydrophobicContact CB-CG 4.19Å; C72-Y76 VanDerWaalsContact O-CB 3.3Å; C72-Y76 WeakPolarHBondContact O-CB 3.43Å; C72-Y76 PolarHBondContact O-N 2.91Å; R73-Y76 PolarHBondContact O-N 2.72Å; Y76-L78 PolarHBondContact O-N 3.29Å; Y76-D79 CarbonylContact O-C 3.51Å; Y76-D79 PolarHBondContact O-N 3.48Å; Y76-E80 HydrophobicContact CE1-CB 4.17Å; Y76-E80 HydrophobicContact CE1-CG 4.46Å; Y76-E80 VanDerWaalsContact O-CB 3.23Å; Y76-E80 WeakPolarHBondContact O-CB 3.11Å; Y76-E80 PolarHBondContact O-N 2.93Å; Y76-E80 PolarHBondContact OH-OE1 2.7Å; Y76-L84 HydrophobicContact CD2-CD1 3.98Å; Y76-L84 HydrophobicContact CE2-CD1 3.43Å; Y76-L84 VanDerWaalsContact CE2-CD1 3.43Å
77E93.5Very high88.8Confident103 Ų10391.8 Ų91.848%0.48144%0.437SS..Hα-helixtrans-65.6-37.7179.9-72.3171.1-179.200112.3R73 H74 N75 A81R73-E77 HydrophobicContact CG-CG 4.37Å; R73-E77 VanDerWaalsContact CG-OE1 3.24Å; R73-E77 WeakPolarHBondContact CG-OE1 3.37Å; R73-E77 WeakPolarHBondContact O-CG 3.41Å; R73-E77 PolarHBondContact O-N 3.24Å; H74-E77 PolarHBondContact O-N 3.47Å; N75-E77 PolarHBondContact O-N 3.41Å; E77-A81 PolarHBondContact O-N 3.2Å
78L92.8Very high88.3Confident95 Ų9595.7 Ų95.750%0.49745%0.454SS..Hα-helixtrans-63.6-46.1172.5-72.7177000111.8H74 N75 Y76 V82H74-L78 WeakPolarHBondContact NE2-CD1 3.39Å; H74-L78 WeakPolarHBondContact O-CG 3.3Å; H74-L78 PolarHBondContact O-N 2.99Å; H74-L78 VanDerWaalsContact O-N 3.14Å; N75-L78 PolarHBondContact O-N 3.47Å; Y76-L78 PolarHBondContact O-N 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.14Å; L78-V82 PolarHBondContact O-N 3.29Å
79D90.5Very high87.8Confident86 Ų86100.2 Ų100.246%0.4647%0.474SS..Hα-helixtrans-72.1-29.4178.7-81.1-22.8000112.6N75 Y76 V82 T83 L84N75-D79 WeakPolarHBondContact O-CB 3.36Å; N75-D79 PolarHBondContact O-N 3.2Å; Y76-D79 CarbonylContact O-C 3.51Å; Y76-D79 PolarHBondContact O-N 3.48Å; D79-V82 PolarHBondContact O-N 3.29Å; D79-T83 CarbonylContact O-C 3.58Å; D79-T83 VanDerWaalsContact O-CA 3.32Å; D79-T83 WeakPolarHBondContact O-CA 3.32Å; D79-T83 WeakPolarHBondContact O-CB 3.46Å; D79-T83 PolarHBondContact O-N 3.2Å; D79-L84 PolarHBondContact O-N 3.37Å
80E87.1Confident87.2Confident63 Ų63100.1 Ų100.129%0.29447%0.471SS..Hα-helixtrans-64.6-47.2176-177.5168-134.300110.3Y76 V82 L84 Q85Y76-E80 HydrophobicContact CE1-CB 4.17Å; Y76-E80 HydrophobicContact CE1-CG 4.46Å; Y76-E80 VanDerWaalsContact O-CB 3.23Å; Y76-E80 WeakPolarHBondContact O-CB 3.11Å; Y76-E80 PolarHBondContact O-N 2.93Å; Y76-E80 PolarHBondContact OH-OE1 2.7Å; E80-V82 PolarHBondContact O-N 2.94Å; E80-L84 HydrophobicContact CB-CD1 4.41Å; E80-Q85 HydrophobicContact CG-CG 3.88Å; E80-Q85 WeakPolarHBondContact O-CB 3.46Å; E80-Q85 WeakPolarHBondContact O-CG 3.43Å; E80-Q85 PolarHBondContact O-N 3.4Å; E80-Q85 PolarHBondContact OE1-NE2 3.38Å
81A83.6Confident86.6Confident78 Ų7894.5 Ų94.565%0.64546%0.455SS*.Hα-helixtrans-62.2-25.3178.700000113.7E77E77-A81 PolarHBondContact O-N 3.2Å
82V83.3Confident85.9Confident71 Ų7196.1 Ų96.143%0.4346%0.457SS..Hα-helixtrans-117.3-39.3-170.1-175.10000113.9L78 D79 E80 R86L78-V82 WeakPolarHBondContact O-CG2 3.14Å; L78-V82 PolarHBondContact O-N 3.29Å; D79-V82 PolarHBondContact O-N 3.29Å; E80-V82 PolarHBondContact O-N 2.94Å; V82-R86 WeakPolarHBondContact O-CD 3.37Å; V82-R86 WeakPolarHBondContact O-CG 3Å; V82-R86 PolarHBondContact O-NE 2.94Å; V82-R86 PolarHBondContact O-NH1 3.47Å
83T79.8Confident85.1Confident61 Ų61102.3 Ų102.337%0.37449%0.487SS..THydrogen-bonded Turntrans-114.4-48.9-167.4-550000112.4D79 R86D79-T83 CarbonylContact O-C 3.58Å; D79-T83 VanDerWaalsContact O-CA 3.32Å; D79-T83 WeakPolarHBondContact O-CA 3.32Å; D79-T83 WeakPolarHBondContact O-CB 3.46Å; D79-T83 PolarHBondContact O-N 3.2Å; T83-R86 PolarHBondContact O-N 2.98Å
84L79.6Confident84.2Confident62 Ų62104 Ų10433%0.32550%0.5SS..G310 helixtrans-76.2-39.5-171.2-57.1173000112.7Y76 D79 E80 R86 R87Y76-L84 HydrophobicContact CD2-CD1 3.98Å; Y76-L84 HydrophobicContact CE2-CD1 3.43Å; Y76-L84 VanDerWaalsContact CE2-CD1 3.43Å; D79-L84 PolarHBondContact O-N 3.37Å; E80-L84 HydrophobicContact CB-CD1 4.41Å; L84-R86 PolarHBondContact O-N 3.14Å; L84-R87 PolarHBondContact O-N 3.44Å
85Q74.8Confident83.2Confident137 Ų137104.5 Ų104.564%0.6450%0.504SS*.G310 helixtrans-71.4-6.3176.3-66.3-70.3-25.500113.5E80E80-Q85 HydrophobicContact CG-CG 3.88Å; E80-Q85 WeakPolarHBondContact O-CB 3.46Å; E80-Q85 WeakPolarHBondContact O-CG 3.43Å; E80-Q85 PolarHBondContact O-N 3.4Å; E80-Q85 PolarHBondContact OE1-NE2 3.38Å
86R67.5Low82.2Confident191 Ų191106.8 Ų106.872%0.72151%0.512SS*.G310 helixtrans-98.51.5176.9-60.3-169.3-172.3159.82.4113.5V82 T83 L84V82-R86 WeakPolarHBondContact O-CD 3.37Å; V82-R86 WeakPolarHBondContact O-CG 3Å; V82-R86 PolarHBondContact O-NE 2.94Å; V82-R86 PolarHBondContact O-NH1 3.47Å; T83-R86 PolarHBondContact O-N 2.98Å; L84-R86 PolarHBondContact O-N 3.14Å
87R58.9Low81Confident255 Ų255109.3 Ų109.396%0.96253%0.53SS*.  trans-97.10175-71.4-178.1174.5-178.9-0.2110.4L84L84-R87 PolarHBondContact O-N 3.44Å

Retrieved 87 of 87 residues in 54 ms (Link to these results)

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