A0A077YGR4_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A077YGR4, 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
1N83.9Confident96.3Very high216 Ų216106 Ų106100%1.15551%0.514SS*.  0135.20-82.8-4000109.5
2Y93.6Very high96.3Very high187 Ų187100.8 Ų100.873%0.73350%0.501SS*.  trans-115.3152.1170.562.5-90.3000109N26Y2-N26 WeakPolarHBondContact CA-OD1 3.5Å
3L97.6Very high96.1Very high90 Ų90104.2 Ų104.247%0.47151%0.511SS..  trans-139129.3179.1-175.773.2000108.8Q5 N26L3-Q5 HydrophobicContact CD2-CG 3.85Å; L3-Q5 HydrophobicContact CG-CG 3.89Å; L3-N26 PolarHBondContact N-OD1 2.87Å; L3-N26 PolarHBondContact O-N 2.81Å
4F97.1Very high95.9Very high122 Ų122106.5 Ų106.554%0.53553%0.527SS..EExtended strand (participates in β ladder)trans-115.4135.3170.7-167.7-91.8000109.1Y23 I24 Y25F4-Y23 AromaticContact CE1-CD1 3.89Å; F4-Y23 HydrophobicContact CE1-CD1 3.89Å; F4-Y23 AromaticContact CZ-CD1 3.77Å; F4-Y23 HydrophobicContact CZ-CD1 3.77Å; F4-Y23 HydrophobicContact CZ-CG 4.33Å; F4-I24 CarbonylContact C-O 3.5Å; F4-I24 WeakPolarHBondContact CA-O 3.49Å; F4-Y25 HydrophobicContact CD2-CD2 4.25Å
5Q98.3Very high95.5Very high54 Ų54103.7 Ų103.725%0.25254%0.536SS..EExtended strand (participates in β ladder)trans-133.2137.5-176.7-54.5179.7-67.100110L3 I24L3-Q5 HydrophobicContact CD2-CG 3.85Å; L3-Q5 HydrophobicContact CG-CG 3.89Å; Q5-I24 HydrophobicContact CB-CB 4.31Å; Q5-I24 PolarHBondContact N-O 3.18Å; Q5-I24 PolarHBondContact O-N 3.02Å
6G97.9Very high95.6Very high47 Ų47102.4 Ų102.449%0.48554%0.535SS..EExtended strand (participates in β ladder)trans-102.3146164.900000110.7R22G6-R22 CarbonylContact C-O 3.48Å; G6-R22 WeakPolarHBondContact CA-O 3.34Å
7R98.4Very high95.7Very high115 Ų11597.7 Ų97.743%0.43451%0.509SS..EExtended strand (participates in β ladder)trans-128.4131.3167-63.3-68.7-177.6-123.36.1109E9 E21 R22 I24R7-E9 HydrophobicContact CB-CG 4.15Å; R7-E21 CarbonylContact O-C 3.6Å; R7-E21 VanDerWaalsContact O-CA 3.28Å; R7-E21 WeakPolarHBondContact O-CA 3.43Å; R7-R22 HydrophobicContact CB-CB 4.18Å; R7-R22 HydrophobicContact CB-CG 4.48Å; R7-R22 PolarHBondContact N-O 2.91Å; R7-R22 PolarHBondContact O-N 3.11Å; R7-I24 HydrophobicContact CG-CD1 3.94Å
8Q98.4Very high95.9Very high120 Ų12097.2 Ų97.256%0.56150%0.5SS*.EExtended strand (participates in β ladder)trans-121103.4172.2-72.8177.6-33.700106.4F19 L20 E21Q8-F19 HydrophobicContact CB-CE2 4.01Å; Q8-F19 HydrophobicContact CB-CZ 4.49Å; Q8-F19 HydrophobicContact CG-CE2 4.29Å; Q8-F19 HydrophobicContact CG-CZ 4.27Å; Q8-L20 WeakPolarHBondContact CA-O 3.25Å; Q8-E21 HydrophobicContact CG-CG 4.14Å; Q8-E21 PolarHBondContact NE2-OE1 2.79Å
9E98.6Very high96Very high49 Ų4992.2 Ų92.223%0.22947%0.474CS..EExtended strand (participates in β ladder)trans-113129-169-60170.3160.800108.8R7 Y11 F19 L20 R22R7-E9 HydrophobicContact CB-CG 4.15Å; E9-Y11 HydrophobicContact CB-CD2 4.47Å; E9-Y11 HydrophobicContact CB-CE2 3.74Å; E9-Y11 PolarHBondContact OE2-OH 2.88Å; E9-F19 WeakPolarHBondContact O-CA 3.45Å; E9-F19 WeakPolarHBondContact O-CD2 3.23Å; E9-L20 HydrophobicContact CB-CB 4.21Å; E9-L20 PolarHBondContact N-O 3.38Å; E9-L20 PolarHBondContact O-N 2.8Å; E9-R22 IonicContact OE1-NE 3.54Å; E9-R22 IonicContact OE2-CZ 3.53Å; E9-R22 IonicContact OE2-NE 3.63Å; E9-R22 PolarHBondContact OE2-NE 3.33Å; E9-R22 IonicContact OE2-NH2 2.65Å; E9-R22 PolarHBondContact OE2-NH2 3.34Å
10C98.3Very high96.2Very high52 Ų5287.8 Ų87.835%0.35145%0.451SS..EExtended strand (participates in β ladder)trans-113.6122.6172.9-62.70000108.8R18 C72C10-R18 CarbonylContact C-O 3.59Å; C10-R18 WeakPolarHBondContact CA-O 3.41Å; C10-C72 HydrophobicContact CB-CB 3.61Å; C10-C72 WeakPolarHBondContact CB-SG 3.45Å; C10-C72 WeakPolarHBondContact SG-CA 3.42Å; C10-C72 WeakPolarHBondContact SG-CB 3.04Å; C10-C72 CovalentContact SG-SG 2.04Å; C10-C72 PolarHBondContact SG-SG 3.41Å
11Y97.6Very high96.3Very high114 Ų11484.1 Ų84.145%0.44743%0.432SS..EExtended strand (participates in β ladder)trans-107.8111.2176.2-61.7-87.3000109.1E9 R18 L20E9-Y11 HydrophobicContact CB-CD2 4.47Å; E9-Y11 HydrophobicContact CB-CE2 3.74Å; E9-Y11 PolarHBondContact OE2-OH 2.88Å; Y11-R18 PolarHBondContact N-O 2.78Å; Y11-R18 PolarHBondContact O-N 2.76Å; Y11-L20 HydrophobicContact CD2-CD1 3.79Å; Y11-L20 HydrophobicContact CE2-CB 4.41Å; Y11-L20 HydrophobicContact CE2-CD1 3.69Å; Y11-L20 HydrophobicContact CE2-CD2 4.34Å; Y11-L20 HydrophobicContact CE2-CG 4.36Å
12A95.7Very high97Very high44 Ų4475.9 Ų75.936%0.36439%0.385SS..EExtended strand (participates in β ladder)trans-92.4125.9174.900000110.2T16 Y76A12-T16 WeakPolarHBondContact CA-O 3.45Å; A12-Y76 HydrophobicContact CB-CD2 3.43Å; A12-Y76 VanDerWaalsContact CB-CD2 3.43Å; A12-Y76 HydrophobicContact CB-CE2 3.47Å; A12-Y76 VanDerWaalsContact CB-CE2 3.47Å; A12-Y76 HydrophobicContact CB-CG 4.13Å
13F94.2Very high97.2Very high144 Ų14469.3 Ų69.363%0.63236%0.359SS*.EExtended strand (participates in β ladder)trans-151.9128.6176.9-178.1-109.5000111.2G15 T16F13-G15 PolarHBondContact O-N 2.71Å; F13-G15 VanDerWaalsContact O-N 3.12Å; F13-T16 PolarHBondContact N-O 3.33Å; F13-T16 PolarHBondContact O-N 3.16Å; F13-T16 PolarHBondContact O-OG1 2.79Å
14N93.1Very high97.2Very high137 Ų13766.1 Ų66.173%0.73334%0.342SS*.THydrogen-bonded Turntrans45.843.9177.4-68.4-10.5000114.3T16N14-T16 VanDerWaalsContact C-N 3.26Å; N14-T16 PolarHBondContact O-N 3.35Å
15G90.2Very high97.3Very high64 Ų6464.7 Ų64.766%0.6633%0.334SS*.THydrogen-bonded Turntrans790.5179.200000115.6F13F13-G15 PolarHBondContact O-N 2.71Å; F13-G15 VanDerWaalsContact O-N 3.12Å
16T96.3Very high97.1Very high84 Ų8465.5 Ų65.552%0.51534%0.34SS..EExtended strand (participates in β ladder)trans-102.8155.6175.768.20000111.5A12 F13 N14A12-T16 WeakPolarHBondContact CA-O 3.45Å; F13-T16 PolarHBondContact N-O 3.33Å; F13-T16 PolarHBondContact O-N 3.16Å; F13-T16 PolarHBondContact O-OG1 2.79Å; N14-T16 VanDerWaalsContact C-N 3.26Å; N14-T16 PolarHBondContact O-N 3.35Å
17Q98.1Very high97Very high22 Ų2274 Ų7410%0.10336%0.357CS..EExtended strand (participates in β ladder)trans-121.2132.6175.7-64.4-66.1-25.800108.9P68 C72 R73Q17-P68 HydrophobicContact CB-CB 4.08Å; Q17-P68 WeakPolarHBondContact CB-O 3.44Å; Q17-C72 HydrophobicContact CB-CB 4.15Å; Q17-C72 HydrophobicContact CG-CB 4.32Å; Q17-R73 HydrophobicContact CG-CB 4.12Å
18R98.4Very high96.9Very high89 Ų8972.7 Ų72.734%0.33636%0.356SS..EExtended strand (participates in β ladder)trans-119131.9169.7179.1-175.4177.5179-4.4109.6C10 Y11 L20 D34 S35 D36C10-R18 CarbonylContact C-O 3.59Å; C10-R18 WeakPolarHBondContact CA-O 3.41Å; Y11-R18 PolarHBondContact N-O 2.78Å; Y11-R18 PolarHBondContact O-N 2.76Å; R18-L20 HydrophobicContact CG-CD1 3.78Å; R18-D34 IonicContact CZ-OD1 3.03Å; R18-D34 IonicContact CZ-OD2 3.03Å; R18-D34 IonicContact NE-OD1 3.69Å; R18-D34 PolarHBondContact NE-OD1 3.44Å; R18-D34 IonicContact NE-OD2 3.32Å; R18-D34 IonicContact NH2-OD1 2.76Å; R18-D34 PolarHBondContact NH2-OD1 3.17Å; R18-D34 IonicContact NH2-OD2 3.76Å; R18-D34 PolarHBondContact NH2-OD2 3.34Å; R18-S35 WeakPolarHBondContact CA-OG 3.46Å; R18-S35 WeakPolarHBondContact CG-OG 3.43Å; R18-D36 WeakPolarHBondContact CD-OD2 3.34Å; R18-D36 IonicContact CZ-OD2 2.68Å; R18-D36 VanDerWaalsContact CZ-OD2 3.27Å; R18-D36 IonicContact NE-OD2 2.89Å; R18-D36 PolarHBondContact NE-OD2 3.35Å; R18-D36 VanDerWaalsContact NE-OD2 3.13Å; R18-D36 IonicContact NH1-OD2 2.76Å; R18-D36 PolarHBondContact NH1-OD2 3.13Å
19F98.8Very high96.9Very high1 Ų168.4 Ų68.40%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-108.6132.4-179.8175.7-117000111.3Q8 E9 E21 F33 S35 K64 V67 P68 M71Q8-F19 HydrophobicContact CB-CE2 4.01Å; Q8-F19 HydrophobicContact CB-CZ 4.49Å; Q8-F19 HydrophobicContact CG-CE2 4.29Å; Q8-F19 HydrophobicContact CG-CZ 4.27Å; E9-F19 WeakPolarHBondContact O-CA 3.45Å; E9-F19 WeakPolarHBondContact O-CD2 3.23Å; F19-E21 HydrophobicContact CE1-CB 3.84Å; F19-E21 HydrophobicContact CZ-CB 3.69Å; F19-E21 HydrophobicContact CZ-CG 4.33Å; F19-F33 AromaticContact CD1-CD1 3.86Å; F19-F33 HydrophobicContact CD1-CD1 3.86Å; F19-F33 HydrophobicContact CD1-CE1 4.05Å; F19-F33 HydrophobicContact CE1-CD1 4.1Å; F19-S35 PolarHBondContact N-OG 3.48Å; F19-S35 PolarHBondContact O-N 3.25Å; F19-S35 PolarHBondContact O-OG 3.49Å; F19-K64 HydrophobicContact CE1-CD 4.26Å; F19-V67 HydrophobicContact CB-CB 4.37Å; F19-V67 HydrophobicContact CB-CG1 4.14Å; F19-V67 HydrophobicContact CD1-CB 3.66Å; F19-V67 HydrophobicContact CD1-CG1 3.68Å; F19-V67 HydrophobicContact CD1-CG2 4.17Å; F19-V67 HydrophobicContact CD2-CB 4.36Å; F19-V67 HydrophobicContact CD2-CG1 3.46Å; F19-V67 VanDerWaalsContact CD2-CG1 3.46Å; F19-V67 HydrophobicContact CE1-CB 3.97Å; F19-V67 HydrophobicContact CE1-CG1 3.87Å; F19-V67 HydrophobicContact CE1-CG2 3.99Å; F19-V67 HydrophobicContact CE2-CG1 3.66Å; F19-V67 HydrophobicContact CG-CB 3.87Å; F19-V67 HydrophobicContact CG-CG1 3.47Å; F19-V67 VanDerWaalsContact CG-CG1 3.47Å; F19-V67 HydrophobicContact CZ-CB 4.43Å; F19-V67 HydrophobicContact CZ-CG1 3.84Å; F19-V67 HydrophobicContact CZ-CG2 4.41Å; F19-P68 HydrophobicContact CB-CG 3.83Å; F19-M71 HydrophobicContact CD2-CE 4.44Å; F19-M71 HydrophobicContact CE2-CE 4.15Å
20L98.7Very high96.9Very high5 Ų567.1 Ų67.13%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-123128.9170.2-81.478.9000109.7Q8 E9 Y11 R18 R22 F33Q8-L20 WeakPolarHBondContact CA-O 3.25Å; E9-L20 HydrophobicContact CB-CB 4.21Å; E9-L20 PolarHBondContact N-O 3.38Å; E9-L20 PolarHBondContact O-N 2.8Å; Y11-L20 HydrophobicContact CD2-CD1 3.79Å; Y11-L20 HydrophobicContact CE2-CB 4.41Å; Y11-L20 HydrophobicContact CE2-CD1 3.69Å; Y11-L20 HydrophobicContact CE2-CD2 4.34Å; Y11-L20 HydrophobicContact CE2-CG 4.36Å; R18-L20 HydrophobicContact CG-CD1 3.78Å; L20-R22 VanDerWaalsContact CD2-NH2 3.25Å; L20-F33 WeakPolarHBondContact CA-O 3.33Å
21E98.7Very high97Very high10 Ų1064.9 Ų64.95%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-115.2123.4167.9-167.7165.1-141.500109.5R7 Q8 F19 Y23 R32 F33 K64R7-E21 CarbonylContact O-C 3.6Å; R7-E21 VanDerWaalsContact O-CA 3.28Å; R7-E21 WeakPolarHBondContact O-CA 3.43Å; Q8-E21 HydrophobicContact CG-CG 4.14Å; Q8-E21 PolarHBondContact NE2-OE1 2.79Å; F19-E21 HydrophobicContact CE1-CB 3.84Å; F19-E21 HydrophobicContact CZ-CB 3.69Å; F19-E21 HydrophobicContact CZ-CG 4.33Å; E21-Y23 HydrophobicContact CG-CE2 3.91Å; E21-R32 CarbonylContact O-C 3.57Å; E21-R32 WeakPolarHBondContact O-CA 3.32Å; E21-F33 HydrophobicContact CB-CB 4.2Å; E21-F33 PolarHBondContact N-O 3.11Å; E21-F33 PolarHBondContact O-N 3.46Å; E21-K64 VanDerWaalsContact CD-NZ 3.27Å; E21-K64 IonicContact OE1-NZ 2.91Å; E21-K64 PolarHBondContact OE1-NZ 3.42Å; E21-K64 WeakPolarHBondContact OE2-CD 3.42Å; E21-K64 WeakPolarHBondContact OE2-CE 3.32Å; E21-K64 IonicContact OE2-NZ 3.4Å; E21-K64 PolarHBondContact OE2-NZ 3.31Å
22R98.6Very high97Very high43 Ų4362.4 Ų62.416%0.16231%0.305CS..EExtended strand (participates in β ladder)trans-124137.5-175.8-48.1178.1-173.8-126.66.2111.3G6 R7 E9 L20 I24 E29 R32G6-R22 CarbonylContact C-O 3.48Å; G6-R22 WeakPolarHBondContact CA-O 3.34Å; R7-R22 HydrophobicContact CB-CB 4.18Å; R7-R22 HydrophobicContact CB-CG 4.48Å; R7-R22 PolarHBondContact N-O 2.91Å; R7-R22 PolarHBondContact O-N 3.11Å; E9-R22 IonicContact OE1-NE 3.54Å; E9-R22 IonicContact OE2-CZ 3.53Å; E9-R22 IonicContact OE2-NE 3.63Å; E9-R22 PolarHBondContact OE2-NE 3.33Å; E9-R22 IonicContact OE2-NH2 2.65Å; E9-R22 PolarHBondContact OE2-NH2 3.34Å; L20-R22 VanDerWaalsContact CD2-NH2 3.25Å; R22-I24 HydrophobicContact CB-CD1 4.33Å; R22-I24 HydrophobicContact CB-CG1 4.33Å; R22-E29 HydrophobicContact CB-CG 4.29Å; R22-E29 WeakPolarHBondContact CG-OE1 3.48Å; R22-E29 IonicContact NH1-OE1 2.77Å; R22-E29 IonicContact NH1-OE2 3.39Å; R22-E29 PolarHBondContact NH1-OE2 3.06Å; R22-R32 HydrophobicContact CG-CG 4.28Å
23Y98.4Very high97.2Very high49 Ų4960.3 Ų60.319%0.19229%0.288CS..EExtended strand (participates in β ladder)trans-113.6120.7174-63.9-89.7000109.6F4 E21 L30 V31 F40F4-Y23 AromaticContact CE1-CD1 3.89Å; F4-Y23 HydrophobicContact CE1-CD1 3.89Å; F4-Y23 AromaticContact CZ-CD1 3.77Å; F4-Y23 HydrophobicContact CZ-CD1 3.77Å; F4-Y23 HydrophobicContact CZ-CG 4.33Å; E21-Y23 HydrophobicContact CG-CE2 3.91Å; Y23-L30 PolarHBondContact O-N 3.31Å; Y23-V31 HydrophobicContact CD2-CG1 3.8Å; Y23-V31 HydrophobicContact CG-CG1 4.12Å; Y23-V31 PolarHBondContact N-O 2.86Å; Y23-F40 HydrophobicContact CE2-CE1 4.11Å
24I98.6Very high97.4Very high23 Ų2354.1 Ų54.112%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-128126.2-166.5-57.1163.4000109.8F4 Q5 R7 R22 E28 E29F4-I24 CarbonylContact C-O 3.5Å; F4-I24 WeakPolarHBondContact CA-O 3.49Å; Q5-I24 HydrophobicContact CB-CB 4.31Å; Q5-I24 PolarHBondContact N-O 3.18Å; Q5-I24 PolarHBondContact O-N 3.02Å; R7-I24 HydrophobicContact CG-CD1 3.94Å; R22-I24 HydrophobicContact CB-CD1 4.33Å; R22-I24 HydrophobicContact CB-CG1 4.33Å; I24-E28 CarbonylContact C-O 3.58Å; I24-E28 VanDerWaalsContact CA-O 3.29Å; I24-E28 WeakPolarHBondContact CA-O 3.22Å; I24-E29 HydrophobicContact CG1-CB 4.12Å; I24-E29 HydrophobicContact CG1-CG 4.12Å
25Y97.4Very high97.6Very high93 Ų9348.9 Ų48.937%0.36524%0.236SC..EExtended strand (participates in β ladder)trans-112119.4175.5-177.8-106.6000110.9F4 R27 E28F4-Y25 HydrophobicContact CD2-CD2 4.25Å; Y25-R27 PolarHBondContact O-N 2.82Å; Y25-E28 PolarHBondContact N-O 2.98Å; Y25-E28 WeakPolarHBondContact O-CB 3.48Å; Y25-E28 PolarHBondContact O-N 3.09Å
26N94.7Very high98Very high70 Ų7051 Ų5137%0.37423%0.232SC..THydrogen-bonded Turntrans50.426.8179.3-66.1-31000115.2Y2 L3Y2-N26 WeakPolarHBondContact CA-OD1 3.5Å; L3-N26 PolarHBondContact N-OD1 2.87Å; L3-N26 PolarHBondContact O-N 2.81Å
27R95.8Very high98.1Very high226 Ų22650.8 Ų50.885%0.85323%0.23SC*.THydrogen-bonded Turntrans91-4.8-173.9-50.6167.965.7179.82.1116.3Y25Y25-R27 PolarHBondContact O-N 2.82Å
28E97.6Very high98.2Very high88 Ų8850.1 Ų50.141%0.41123%0.23SC..EExtended strand (participates in β ladder)trans-87.1118170.5-170.3-179154.500109.6I24 Y25 L30 T44I24-E28 CarbonylContact C-O 3.58Å; I24-E28 VanDerWaalsContact CA-O 3.29Å; I24-E28 WeakPolarHBondContact CA-O 3.22Å; Y25-E28 PolarHBondContact N-O 2.98Å; Y25-E28 WeakPolarHBondContact O-CB 3.48Å; Y25-E28 PolarHBondContact O-N 3.09Å; E28-L30 HydrophobicContact CB-CD2 4.47Å; E28-L30 HydrophobicContact CG-CD2 4.14Å; E28-L30 PolarHBondContact O-N 2.99Å; E28-T44 HydrophobicContact CG-CG2 3.83Å; E28-T44 VanDerWaalsContact OE1-CB 3.25Å; E28-T44 WeakPolarHBondContact OE1-CB 3.28Å; E28-T44 VanDerWaalsContact OE1-CG2 3.23Å; E28-T44 WeakPolarHBondContact OE1-CG2 3.22Å; E28-T44 PolarHBondContact OE1-OG1 3.37Å
29E98.5Very high98.2Very high30 Ų3048.9 Ų48.914%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-75.7121.1173.2-172.7178.6166.600109.2R22 I24 R32 V43 T44R22-E29 HydrophobicContact CB-CG 4.29Å; R22-E29 WeakPolarHBondContact CG-OE1 3.48Å; R22-E29 IonicContact NH1-OE1 2.77Å; R22-E29 IonicContact NH1-OE2 3.39Å; R22-E29 PolarHBondContact NH1-OE2 3.06Å; I24-E29 HydrophobicContact CG1-CB 4.12Å; I24-E29 HydrophobicContact CG1-CG 4.12Å; E29-R32 WeakPolarHBondContact OE1-CB 3.46Å; E29-R32 IonicContact OE1-CZ 2.71Å; E29-R32 IonicContact OE1-NE 3.27Å; E29-R32 PolarHBondContact OE1-NE 3.23Å; E29-R32 IonicContact OE1-NH2 3.13Å; E29-R32 PolarHBondContact OE1-NH2 2.97Å; E29-R32 IonicContact OE2-CZ 3.33Å; E29-R32 IonicContact OE2-NE 3.16Å; E29-R32 IonicContact OE2-NH2 3.35Å; E29-R32 PolarHBondContact OE2-NH2 3.39Å; E29-V43 HydrophobicContact CB-CG1 4.22Å; E29-V43 HydrophobicContact CG-CB 4.33Å; E29-V43 HydrophobicContact CG-CG1 4.39Å; E29-V43 HydrophobicContact CG-CG2 4.06Å; E29-V43 WeakPolarHBondContact O-CB 3.42Å; E29-V43 WeakPolarHBondContact O-CG1 3.36Å; E29-T44 WeakPolarHBondContact O-CG2 3.29Å
30L98.4Very high98.2Very high22 Ų2248.9 Ų48.912%0.11523%0.228CC..EExtended strand (participates in β ladder)trans-92.3-49.8-173.4-55.9-176.4000111.7Y23 E28 V43 T44 L46 G47Y23-L30 PolarHBondContact O-N 3.31Å; E28-L30 HydrophobicContact CB-CD2 4.47Å; E28-L30 HydrophobicContact CG-CD2 4.14Å; E28-L30 PolarHBondContact O-N 2.99Å; L30-V43 PolarHBondContact O-N 3.03Å; L30-T44 PolarHBondContact O-N 3.21Å; L30-L46 HydrophobicContact CD2-CB 4.08Å; L30-L46 HydrophobicContact CD2-CD1 4.42Å; L30-G47 WeakPolarHBondContact O-CA 3.33Å
31V98.7Very high98.2Very high4 Ų455.8 Ų55.82%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-146.4145.6-175.260.90000110.2Y23 F40 R41 E50 A51Y23-V31 HydrophobicContact CD2-CG1 3.8Å; Y23-V31 HydrophobicContact CG-CG1 4.12Å; Y23-V31 PolarHBondContact N-O 2.86Å; V31-F40 HydrophobicContact CG2-CB 4.04Å; V31-F40 HydrophobicContact CG2-CD1 4.16Å; V31-R41 WeakPolarHBondContact CA-O 3.44Å; V31-E50 HydrophobicContact CG1-CB 4.11Å; V31-A51 HydrophobicContact CG2-CB 3.94Å
32R98.8Very high98.2Very high63 Ų6357.4 Ų57.424%0.23827%0.268CS..EExtended strand (participates in β ladder)trans-134.4136-178.4-179-176.3-57.2163.316.3111.8E21 R22 E29 F40 R41 V43E21-R32 CarbonylContact O-C 3.57Å; E21-R32 WeakPolarHBondContact O-CA 3.32Å; R22-R32 HydrophobicContact CG-CG 4.28Å; E29-R32 WeakPolarHBondContact OE1-CB 3.46Å; E29-R32 IonicContact OE1-CZ 2.71Å; E29-R32 IonicContact OE1-NE 3.27Å; E29-R32 PolarHBondContact OE1-NE 3.23Å; E29-R32 IonicContact OE1-NH2 3.13Å; E29-R32 PolarHBondContact OE1-NH2 2.97Å; E29-R32 IonicContact OE2-CZ 3.33Å; E29-R32 IonicContact OE2-NE 3.16Å; E29-R32 IonicContact OE2-NH2 3.35Å; E29-R32 PolarHBondContact OE2-NH2 3.39Å; R32-F40 CarbonylContact O-C 3.6Å; R32-F40 VanDerWaalsContact O-CA 3.28Å; R32-F40 WeakPolarHBondContact O-CA 3.5Å; R32-R41 PolarHBondContact N-O 2.76Å; R32-R41 PolarHBondContact O-N 2.68Å; R32-V43 HydrophobicContact CB-CG2 4Å
33F98.9Very high98.2Very high0 Ų058.6 Ų58.60%028%0.28CS..EExtended strand (participates in β ladder)trans-94136.3154.9-178.6-89.2000109.6F19 L20 E21 F40 L61 K64 R65F19-F33 AromaticContact CD1-CD1 3.86Å; F19-F33 HydrophobicContact CD1-CD1 3.86Å; F19-F33 HydrophobicContact CD1-CE1 4.05Å; F19-F33 HydrophobicContact CE1-CD1 4.1Å; L20-F33 WeakPolarHBondContact CA-O 3.33Å; E21-F33 HydrophobicContact CB-CB 4.2Å; E21-F33 PolarHBondContact N-O 3.11Å; E21-F33 PolarHBondContact O-N 3.46Å; F33-F40 HydrophobicContact CB-CD1 3.75Å; F33-F40 HydrophobicContact CB-CD2 4.48Å; F33-F40 HydrophobicContact CB-CE1 3.6Å; F33-F40 HydrophobicContact CB-CE2 4.35Å; F33-F40 HydrophobicContact CB-CG 4.2Å; F33-F40 HydrophobicContact CB-CZ 3.93Å; F33-F40 AromaticContact CD2-CD2 3.99Å; F33-F40 HydrophobicContact CD2-CD2 3.99Å; F33-F40 AromaticContact CD2-CE2 3.93Å; F33-F40 HydrophobicContact CD2-CE2 3.93Å; F33-F40 HydrophobicContact CD2-CG 4.39Å; F33-F40 HydrophobicContact CD2-CZ 4.29Å; F33-F40 HydrophobicContact CG-CZ 4.42Å; F33-L61 HydrophobicContact CD2-CD2 4.5Å; F33-L61 HydrophobicContact CE2-CD2 4.22Å; F33-K64 HydrophobicContact CD1-CB 3.91Å; F33-K64 HydrophobicContact CD2-CB 3.84Å; F33-K64 HydrophobicContact CD2-CG 4.43Å; F33-K64 HydrophobicContact CE1-CB 3.69Å; F33-K64 WeakPolarHBondContact CE1-O 3.2Å; F33-K64 HydrophobicContact CE2-CB 3.6Å; F33-K64 HydrophobicContact CG-CB 3.99Å; F33-K64 HydrophobicContact CG-CG 4.49Å; F33-K64 HydrophobicContact CZ-CB 3.53Å; F33-R65 HydrophobicContact CE2-CG 4.45Å; F33-R65 HydrophobicContact CZ-CG 3.96Å
34D98.8Very high98.1Very high13 Ų1358.1 Ų58.17%0.0728%0.282CS..EExtended strand (participates in β ladder)trans-131.5122.6175.2-167.6-31.6000108.3R18 D36 V37 G38R18-D34 IonicContact CZ-OD1 3.03Å; R18-D34 IonicContact CZ-OD2 3.03Å; R18-D34 IonicContact NE-OD1 3.69Å; R18-D34 PolarHBondContact NE-OD1 3.44Å; R18-D34 IonicContact NE-OD2 3.32Å; R18-D34 IonicContact NH2-OD1 2.76Å; R18-D34 PolarHBondContact NH2-OD1 3.17Å; R18-D34 IonicContact NH2-OD2 3.76Å; R18-D34 PolarHBondContact NH2-OD2 3.34Å; D34-D36 PolarHBondContact O-N 3.2Å; D34-D36 PolarHBondContact OD1-N 2.67Å; D34-V37 HydrophobicContact CB-CB 4.29Å; D34-V37 HydrophobicContact CB-CG2 3.95Å; D34-V37 CarbonylContact O-C 3.54Å; D34-V37 PolarHBondContact O-N 2.65Å; D34-G38 PolarHBondContact O-N 3.4Å
35S98.6Very high98.1Very high28 Ų2863.4 Ų63.420%0.19631%0.306CS..THydrogen-bonded Turntrans-62.2-27.1-176.161.50000113.3R18 F19 V37 P68R18-S35 WeakPolarHBondContact CA-OG 3.46Å; R18-S35 WeakPolarHBondContact CG-OG 3.43Å; F19-S35 PolarHBondContact N-OG 3.48Å; F19-S35 PolarHBondContact O-N 3.25Å; F19-S35 PolarHBondContact O-OG 3.49Å; S35-V37 PolarHBondContact O-N 3.13Å; S35-P68 VanDerWaalsContact CB-CG 3.48Å
36D98.2Very high98Very high109 Ų10964.2 Ų64.258%0.58332%0.317SS*.THydrogen-bonded Turntrans-69.8-24.4176.1-70.7-1.9000111.7R18 D34R18-D36 WeakPolarHBondContact CD-OD2 3.34Å; R18-D36 IonicContact CZ-OD2 2.68Å; R18-D36 VanDerWaalsContact CZ-OD2 3.27Å; R18-D36 IonicContact NE-OD2 2.89Å; R18-D36 PolarHBondContact NE-OD2 3.35Å; R18-D36 VanDerWaalsContact NE-OD2 3.13Å; R18-D36 IonicContact NH1-OD2 2.76Å; R18-D36 PolarHBondContact NH1-OD2 3.13Å; D34-D36 PolarHBondContact O-N 3.2Å; D34-D36 PolarHBondContact OD1-N 2.67Å
37V98.5Very high98.2Very high78 Ų7860.9 Ų60.947%0.47330%0.299SS..THydrogen-bonded Turntrans-95.3-37177.1-171.30000110.8D34 S35 E39 R41D34-V37 HydrophobicContact CB-CB 4.29Å; D34-V37 HydrophobicContact CB-CG2 3.95Å; D34-V37 CarbonylContact O-C 3.54Å; D34-V37 PolarHBondContact O-N 2.65Å; S35-V37 PolarHBondContact O-N 3.13Å; V37-E39 HydrophobicContact CG1-CG 3.98Å; V37-R41 HydrophobicContact CG1-CG 4.42Å
38G98.4Very high98.3Very high9 Ų956 Ų569%0.09328%0.28CS..THydrogen-bonded Turntrans80.715.5176.400000115.2D34 R65D34-G38 PolarHBondContact O-N 3.4Å; G38-R65 VanDerWaalsContact O-CZ 3.28Å; G38-R65 PolarHBondContact O-NE 3.06Å; G38-R65 PolarHBondContact O-NH2 3.41Å
39E98.7Very high98.3Very high62 Ų6255.6 Ų55.629%0.2929%0.285SS..EExtended strand (participates in β ladder)trans-153.3166.817868-176.2-170.900111.5V37 R41 N55 L61V37-E39 HydrophobicContact CG1-CG 3.98Å; E39-R41 IonicContact OE1-CZ 3.93Å; E39-R41 VanDerWaalsContact OE1-CZ 3.25Å; E39-R41 IonicContact OE1-NE 3.19Å; E39-R41 PolarHBondContact OE1-NE 2.91Å; E39-R41 IonicContact OE1-NH2 3.11Å; E39-R41 PolarHBondContact OE1-NH2 2.89Å; E39-N55 WeakPolarHBondContact CB-OD1 3.37Å; E39-L61 HydrophobicContact CB-CD2 4.36Å
40F98.8Very high98.3Very high2 Ų257.9 Ų57.91%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-77.6133.8172.1-68.5-94000110.7Y23 V31 R32 F33 A51 W54 N55 I60 L61 K64Y23-F40 HydrophobicContact CE2-CE1 4.11Å; V31-F40 HydrophobicContact CG2-CB 4.04Å; V31-F40 HydrophobicContact CG2-CD1 4.16Å; R32-F40 CarbonylContact O-C 3.6Å; R32-F40 VanDerWaalsContact O-CA 3.28Å; R32-F40 WeakPolarHBondContact O-CA 3.5Å; F33-F40 HydrophobicContact CB-CD1 3.75Å; F33-F40 HydrophobicContact CB-CD2 4.48Å; F33-F40 HydrophobicContact CB-CE1 3.6Å; F33-F40 HydrophobicContact CB-CE2 4.35Å; F33-F40 HydrophobicContact CB-CG 4.2Å; F33-F40 HydrophobicContact CB-CZ 3.93Å; F33-F40 AromaticContact CD2-CD2 3.99Å; F33-F40 HydrophobicContact CD2-CD2 3.99Å; F33-F40 AromaticContact CD2-CE2 3.93Å; F33-F40 HydrophobicContact CD2-CE2 3.93Å; F33-F40 HydrophobicContact CD2-CG 4.39Å; F33-F40 HydrophobicContact CD2-CZ 4.29Å; F33-F40 HydrophobicContact CG-CZ 4.42Å; F40-A51 HydrophobicContact CB-CB 4.4Å; F40-W54 HydrophobicContact CB-CB 4.39Å; F40-W54 HydrophobicContact CD1-CB 4.38Å; F40-W54 HydrophobicContact CD2-CB 3.52Å; F40-W54 HydrophobicContact CD2-CG 4.45Å; F40-W54 HydrophobicContact CE2-CB 3.8Å; F40-W54 HydrophobicContact CE2-CG 4.44Å; F40-W54 HydrophobicContact CG-CB 3.85Å; F40-W54 HydrophobicContact CZ-CB 4.33Å; F40-N55 WeakPolarHBondContact CB-OD1 3.44Å; F40-N55 PolarHBondContact N-OD1 2.7Å; F40-N55 PolarHBondContact O-ND2 3.2Å; F40-I60 HydrophobicContact CE2-CG2 4.18Å; F40-I60 HydrophobicContact CZ-CG2 4.47Å; F40-L61 HydrophobicContact CD2-CD2 3.92Å; F40-L61 HydrophobicContact CE2-CD2 4.18Å; F40-K64 HydrophobicContact CE2-CG 4.14Å; F40-K64 HydrophobicContact CZ-CG 3.93Å
41R98.8Very high98.3Very high150 Ų15057.2 Ų57.257%0.56629%0.293SS*.EExtended strand (participates in β ladder)trans-122.1127.4175.9-73.5-83.8174.2138.8-1.3109V31 R32 V37 E39 V43V31-R41 WeakPolarHBondContact CA-O 3.44Å; R32-R41 PolarHBondContact N-O 2.76Å; R32-R41 PolarHBondContact O-N 2.68Å; V37-R41 HydrophobicContact CG1-CG 4.42Å; E39-R41 IonicContact OE1-CZ 3.93Å; E39-R41 VanDerWaalsContact OE1-CZ 3.25Å; E39-R41 IonicContact OE1-NE 3.19Å; E39-R41 PolarHBondContact OE1-NE 2.91Å; E39-R41 IonicContact OE1-NH2 3.11Å; E39-R41 PolarHBondContact OE1-NH2 2.89Å; R41-V43 PolarHBondContact O-N 2.87Å
42A98.6Very high98.3Very high43 Ų4363 Ų6336%0.35532%0.32SS..EExtended strand (participates in β ladder)trans-62.8128167.300000109R48 A51A42-R48 HydrophobicContact CB-CB 4.33Å; A42-A51 HydrophobicContact CB-CB 4.15Å
43V98.4Very high98.3Very high69 Ų6966.5 Ų66.542%0.41833%0.334SS..SBendtrans-91.5-31.8175.3178.30000109.9E29 L30 R32 R41E29-V43 HydrophobicContact CB-CG1 4.22Å; E29-V43 HydrophobicContact CG-CB 4.33Å; E29-V43 HydrophobicContact CG-CG1 4.39Å; E29-V43 HydrophobicContact CG-CG2 4.06Å; E29-V43 WeakPolarHBondContact O-CB 3.42Å; E29-V43 WeakPolarHBondContact O-CG1 3.36Å; L30-V43 PolarHBondContact O-N 3.03Å; R32-V43 HydrophobicContact CB-CG2 4Å; R41-V43 PolarHBondContact O-N 2.87Å
44T97.9Very high98.3Very high38 Ų3869.9 Ų69.923%0.23335%0.347CS..SBendtrans-128.5166.4169.971.10000111.1E28 E29 L30 L46 G47E28-T44 HydrophobicContact CG-CG2 3.83Å; E28-T44 VanDerWaalsContact OE1-CB 3.25Å; E28-T44 WeakPolarHBondContact OE1-CB 3.28Å; E28-T44 VanDerWaalsContact OE1-CG2 3.23Å; E28-T44 WeakPolarHBondContact OE1-CG2 3.22Å; E28-T44 PolarHBondContact OE1-OG1 3.37Å; E29-T44 WeakPolarHBondContact O-CG2 3.29Å; L30-T44 PolarHBondContact O-N 3.21Å; T44-L46 PolarHBondContact O-N 2.96Å; T44-G47 PolarHBondContact O-N 2.9Å
45E97.1Very high98.3Very high134 Ų13470.9 Ų70.963%0.62635%0.353SS*.G310 helixtrans-56.8-32.1-179.7-71.4-60.5151.700113G47 R48E45-G47 PolarHBondContact O-N 2.94Å; E45-R48 VanDerWaalsContact CD-NH2 3.31Å; E45-R48 WeakPolarHBondContact O-CB 3.4Å; E45-R48 PolarHBondContact O-N 3.03Å; E45-R48 IonicContact OE1-NH2 3.74Å; E45-R48 PolarHBondContact OE1-NH2 3.41Å; E45-R48 VanDerWaalsContact OE1-NH2 3.11Å; E45-R48 IonicContact OE2-CZ 2.78Å; E45-R48 IonicContact OE2-NE 3.25Å; E45-R48 PolarHBondContact OE2-NE 2.83Å; E45-R48 VanDerWaalsContact OE2-NE 3.16Å; E45-R48 IonicContact OE2-NH2 2.88Å; E45-R48 PolarHBondContact OE2-NH2 2.79Å
46L96.1Very high98.3Very high111 Ų11173.2 Ų73.258%0.58137%0.369SS*.G310 helixtrans-65.5-26.1178.2-70.7177.2000113.2L30 T44 P49 E50L30-L46 HydrophobicContact CD2-CB 4.08Å; L30-L46 HydrophobicContact CD2-CD1 4.42Å; T44-L46 PolarHBondContact O-N 2.96Å; L46-P49 WeakPolarHBondContact O-CD 3.34Å; L46-E50 VanDerWaalsContact O-OE2 3.04Å
47G98.2Very high98.3Very high0 Ų069.9 Ų69.90%035%0.35CS..G310 helixtrans-89.50.9-179.900000114.9L30 T44 E45 E50 A51L30-G47 WeakPolarHBondContact O-CA 3.33Å; T44-G47 PolarHBondContact O-N 2.9Å; E45-G47 PolarHBondContact O-N 2.94Å; G47-E50 WeakPolarHBondContact CA-OE2 3.14Å; G47-E50 PolarHBondContact O-N 2.86Å; G47-A51 WeakPolarHBondContact O-CB 3.5Å; G47-A51 PolarHBondContact O-N 3.45Å
48R98.6Very high98.2Very high124 Ų12472.4 Ų72.447%0.46835%0.354SS..Hα-helixtrans-60.6-47.8-179.6-174.4-169-63.6-1150.5112.5A42 E45 E50 A51 E52A42-R48 HydrophobicContact CB-CB 4.33Å; E45-R48 VanDerWaalsContact CD-NH2 3.31Å; E45-R48 WeakPolarHBondContact O-CB 3.4Å; E45-R48 PolarHBondContact O-N 3.03Å; E45-R48 IonicContact OE1-NH2 3.74Å; E45-R48 PolarHBondContact OE1-NH2 3.41Å; E45-R48 VanDerWaalsContact OE1-NH2 3.11Å; E45-R48 IonicContact OE2-CZ 2.78Å; E45-R48 IonicContact OE2-NE 3.25Å; E45-R48 PolarHBondContact OE2-NE 2.83Å; E45-R48 VanDerWaalsContact OE2-NE 3.16Å; E45-R48 IonicContact OE2-NH2 2.88Å; E45-R48 PolarHBondContact OE2-NH2 2.79Å; R48-E50 VanDerWaalsContact C-N 3.31Å; R48-E50 PolarHBondContact O-N 3.46Å; R48-A51 PolarHBondContact O-N 3.29Å; R48-E52 WeakPolarHBondContact CG-OE1 3.31Å; R48-E52 WeakPolarHBondContact O-CG 3.48Å; R48-E52 PolarHBondContact O-N 3.42Å
49P98.4Very high98.2Very high78 Ų7877.2 Ų77.251%0.50638%0.378SS..Hα-helixtrans-61.1-40179-21.434.3000112.4L46 Y53L46-P49 WeakPolarHBondContact O-CD 3.34Å; P49-Y53 WeakPolarHBondContact O-CB 3.41Å; P49-Y53 PolarHBondContact O-N 2.99Å
50E97.9Very high98.2Very high78 Ų7875.3 Ų75.336%0.36437%0.369SS..Hα-helixtrans-65.1-48.5177.8-69.173-165.600110.6V31 L46 G47 R48 E52 Y53 W54V31-E50 HydrophobicContact CG1-CB 4.11Å; L46-E50 VanDerWaalsContact O-OE2 3.04Å; G47-E50 WeakPolarHBondContact CA-OE2 3.14Å; G47-E50 PolarHBondContact O-N 2.86Å; R48-E50 VanDerWaalsContact C-N 3.31Å; R48-E50 PolarHBondContact O-N 3.46Å; E50-E52 VanDerWaalsContact C-N 3.32Å; E50-E52 PolarHBondContact O-N 3.4Å; E50-Y53 PolarHBondContact O-N 3.39Å; E50-W54 WeakPolarHBondContact O-CB 3.45Å; E50-W54 PolarHBondContact O-N 3.36Å
51A98.6Very high98.2Very high8 Ų875.4 Ų75.47%0.06637%0.37CS..Hα-helixtrans-57.7-45178.800000111.8V31 F40 A42 G47 R48 N55V31-A51 HydrophobicContact CG2-CB 3.94Å; F40-A51 HydrophobicContact CB-CB 4.4Å; A42-A51 HydrophobicContact CB-CB 4.15Å; G47-A51 WeakPolarHBondContact O-CB 3.5Å; G47-A51 PolarHBondContact O-N 3.45Å; R48-A51 PolarHBondContact O-N 3.29Å; A51-N55 WeakPolarHBondContact O-CB 3.46Å; A51-N55 PolarHBondContact O-N 2.94Å; A51-N55 PolarHBondContact O-ND2 3.29Å; A51-N55 VanDerWaalsContact O-ND2 3.09Å
52E98.4Very high98.1Very high126 Ų12674.4 Ų74.459%0.58937%0.372SS*.Hα-helixtrans-61.7-47.3176.4-71.5173.7-170.100111.8R48 E50 N55 S56R48-E52 WeakPolarHBondContact CG-OE1 3.31Å; R48-E52 WeakPolarHBondContact O-CG 3.48Å; R48-E52 PolarHBondContact O-N 3.42Å; E50-E52 VanDerWaalsContact C-N 3.32Å; E50-E52 PolarHBondContact O-N 3.4Å; E52-N55 PolarHBondContact O-N 3.31Å; E52-S56 PolarHBondContact O-N 2.94Å; E52-S56 VanDerWaalsContact O-N 3.13Å
53Y98.4Very high98.1Very high136 Ų13677.9 Ų77.953%0.53338%0.381SS..Hα-helixtrans-62.4-49.7179.4176.9-109000112.3P49 E50 N55 S56 Q57P49-Y53 WeakPolarHBondContact O-CB 3.41Å; P49-Y53 PolarHBondContact O-N 2.99Å; E50-Y53 PolarHBondContact O-N 3.39Å; Y53-N55 PolarHBondContact O-N 3.48Å; Y53-S56 PolarHBondContact O-N 3.03Å; Y53-S56 PolarHBondContact O-OG 3.16Å; Y53-Q57 VanDerWaalsContact CD1-NE2 3.27Å; Y53-Q57 VanDerWaalsContact CZ-NE2 3.3Å; Y53-Q57 PolarHBondContact O-NE2 2.91Å; Y53-Q57 PolarHBondContact OH-OE1 3.14Å
54W98.5Very high98.1Very high72 Ų7275.6 Ų75.627%0.27337%0.365SS..Hα-helixtrans-66.8-36.8-179.8-69.9112.2000112.2F40 E50 S56 Q57 I60F40-W54 HydrophobicContact CB-CB 4.39Å; F40-W54 HydrophobicContact CD1-CB 4.38Å; F40-W54 HydrophobicContact CD2-CB 3.52Å; F40-W54 HydrophobicContact CD2-CG 4.45Å; F40-W54 HydrophobicContact CE2-CB 3.8Å; F40-W54 HydrophobicContact CE2-CG 4.44Å; F40-W54 HydrophobicContact CG-CB 3.85Å; F40-W54 HydrophobicContact CZ-CB 4.33Å; E50-W54 WeakPolarHBondContact O-CB 3.45Å; E50-W54 PolarHBondContact O-N 3.36Å; W54-S56 PolarHBondContact O-N 2.76Å; W54-Q57 PolarHBondContact O-N 2.81Å; W54-Q57 VanDerWaalsContact O-N 3.17Å; W54-I60 HydrophobicContact CE3-CB 4.28Å; W54-I60 HydrophobicContact CE3-CD1 3.66Å; W54-I60 HydrophobicContact CE3-CG1 4.29Å; W54-I60 HydrophobicContact CE3-CG2 3.6Å; W54-I60 HydrophobicContact CZ3-CB 4.44Å; W54-I60 HydrophobicContact CZ3-CD1 3.4Å; W54-I60 HydrophobicContact CZ3-CG1 4.02Å; W54-I60 HydrophobicContact CZ3-CG2 3.84Å
55N98.6Very high98.2Very high34 Ų3479.8 Ų79.818%0.18238%0.377CS..Hα-helixtrans-70.7-20.4176.9-71.1-23.2000113.9E39 F40 A51 E52 Y53 Q57 K58 L61E39-N55 WeakPolarHBondContact CB-OD1 3.37Å; F40-N55 WeakPolarHBondContact CB-OD1 3.44Å; F40-N55 PolarHBondContact N-OD1 2.7Å; F40-N55 PolarHBondContact O-ND2 3.2Å; A51-N55 WeakPolarHBondContact O-CB 3.46Å; A51-N55 PolarHBondContact O-N 2.94Å; A51-N55 PolarHBondContact O-ND2 3.29Å; A51-N55 VanDerWaalsContact O-ND2 3.09Å; E52-N55 PolarHBondContact O-N 3.31Å; Y53-N55 PolarHBondContact O-N 3.48Å; N55-Q57 VanDerWaalsContact C-N 3.32Å; N55-K58 PolarHBondContact O-NZ 3.48Å; N55-L61 HydrophobicContact CB-CD1 4.47Å; N55-L61 WeakPolarHBondContact O-CD1 3.43Å
56S98.4Very high98.2Very high77 Ų7776.1 Ų76.154%0.53837%0.369SS..Hα-helixtrans-75.5-21.6173.579.80000112.9E52 Y53 W54E52-S56 PolarHBondContact O-N 2.94Å; E52-S56 VanDerWaalsContact O-N 3.13Å; Y53-S56 PolarHBondContact O-N 3.03Å; Y53-S56 PolarHBondContact O-OG 3.16Å; W54-S56 PolarHBondContact O-N 2.76Å
57Q98.5Very high98.4Very high39 Ų3971.8 Ų71.818%0.18235%0.347CS..  trans-91.8102.2-179.3-68.5169.799.800110.7Y53 W54 N55 I60 L61Y53-Q57 VanDerWaalsContact CD1-NE2 3.27Å; Y53-Q57 VanDerWaalsContact CZ-NE2 3.3Å; Y53-Q57 PolarHBondContact O-NE2 2.91Å; Y53-Q57 PolarHBondContact OH-OE1 3.14Å; W54-Q57 PolarHBondContact O-N 2.81Å; W54-Q57 VanDerWaalsContact O-N 3.17Å; N55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-I60 HydrophobicContact CB-CB 4.16Å; Q57-I60 HydrophobicContact CB-CD1 3.6Å; Q57-I60 HydrophobicContact CB-CG1 4.34Å; Q57-I60 HydrophobicContact CG-CD1 4.02Å; Q57-I60 PolarHBondContact O-N 2.97Å; Q57-L61 PolarHBondContact O-N 2.77Å; Q57-L61 VanDerWaalsContact O-N 3.11Å
58K97.9Very high98.4Very high131 Ų13172.3 Ų72.357%0.5735%0.351SS*.Hα-helixtrans-70.2-38.7-172.1-62.9-53.6179.8-160.40113.7N55 I60 L61 E62N55-K58 PolarHBondContact O-NZ 3.48Å; K58-I60 VanDerWaalsContact C-N 3.33Å; K58-I60 PolarHBondContact O-N 2.9Å; K58-L61 PolarHBondContact O-N 2.88Å; K58-E62 WeakPolarHBondContact O-CB 3.28Å; K58-E62 WeakPolarHBondContact O-CG 3.48Å; K58-E62 PolarHBondContact O-N 2.86Å
59D98.3Very high98.4Very high110 Ų11071.6 Ų71.659%0.58836%0.356SS*.Hα-helixtrans-56.1-46.5173.156.7-30.4000111.7E62 E63D59-E62 PolarHBondContact O-N 2.95Å; D59-E63 WeakPolarHBondContact O-CB 3.4Å; D59-E63 PolarHBondContact O-N 2.88Å
60I97.7Very high98.3Very high21 Ų2169.7 Ų69.711%0.10835%0.351CS..Hα-helixtrans-67.9-43178.3-70148.8000111.3F40 W54 Q57 K58 E62 E63 K64F40-I60 HydrophobicContact CE2-CG2 4.18Å; F40-I60 HydrophobicContact CZ-CG2 4.47Å; W54-I60 HydrophobicContact CE3-CB 4.28Å; W54-I60 HydrophobicContact CE3-CD1 3.66Å; W54-I60 HydrophobicContact CE3-CG1 4.29Å; W54-I60 HydrophobicContact CE3-CG2 3.6Å; W54-I60 HydrophobicContact CZ3-CB 4.44Å; W54-I60 HydrophobicContact CZ3-CD1 3.4Å; W54-I60 HydrophobicContact CZ3-CG1 4.02Å; W54-I60 HydrophobicContact CZ3-CG2 3.84Å; Q57-I60 HydrophobicContact CB-CB 4.16Å; Q57-I60 HydrophobicContact CB-CD1 3.6Å; Q57-I60 HydrophobicContact CB-CG1 4.34Å; Q57-I60 HydrophobicContact CG-CD1 4.02Å; Q57-I60 PolarHBondContact O-N 2.97Å; K58-I60 VanDerWaalsContact C-N 3.33Å; K58-I60 PolarHBondContact O-N 2.9Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 2.82Å; I60-E63 PolarHBondContact O-N 2.76Å; I60-K64 HydrophobicContact CG2-CG 4.25Å; I60-K64 VanDerWaalsContact O-CG 3.31Å; I60-K64 WeakPolarHBondContact O-CG 3.38Å; I60-K64 PolarHBondContact O-N 2.82Å
61L98.1Very high98.3Very high4 Ų469.3 Ų69.32%0.02135%0.35CS..Hα-helixtrans-60.5-42176.2-80-178.4000112.4F33 E39 F40 N55 Q57 K58 K64 R65F33-L61 HydrophobicContact CD2-CD2 4.5Å; F33-L61 HydrophobicContact CE2-CD2 4.22Å; E39-L61 HydrophobicContact CB-CD2 4.36Å; F40-L61 HydrophobicContact CD2-CD2 3.92Å; F40-L61 HydrophobicContact CE2-CD2 4.18Å; N55-L61 HydrophobicContact CB-CD1 4.47Å; N55-L61 WeakPolarHBondContact O-CD1 3.43Å; Q57-L61 PolarHBondContact O-N 2.77Å; Q57-L61 VanDerWaalsContact O-N 3.11Å; K58-L61 PolarHBondContact O-N 2.88Å; L61-K64 PolarHBondContact O-N 2.82Å; L61-R65 WeakPolarHBondContact O-CB 3.4Å; L61-R65 WeakPolarHBondContact O-CD 3.49Å; L61-R65 WeakPolarHBondContact O-CG 3.46Å; L61-R65 PolarHBondContact O-N 3.32Å
62E98.4Very high98.3Very high129 Ų12969 Ų6960%0.60335%0.347SS*.Hα-helixtrans-63.9-43.6176.3-74.6176.4-176.600111.5K58 D59 I60 K64 R65 A66K58-E62 WeakPolarHBondContact O-CB 3.28Å; K58-E62 WeakPolarHBondContact O-CG 3.48Å; K58-E62 PolarHBondContact O-N 2.86Å; D59-E62 PolarHBondContact O-N 2.95Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 2.82Å; E62-K64 PolarHBondContact O-N 3.3Å; E62-R65 PolarHBondContact O-N 2.9Å; E62-A66 PolarHBondContact O-N 2.94Å; E62-A66 VanDerWaalsContact O-N 3.12Å
63E98.4Very high98.3Very high117 Ų11766.6 Ų66.655%0.54733%0.333SS..Hα-helixtrans-57.1-51174.4-171.9-165.3139.900111D59 I60 R65 A66 V67D59-E63 WeakPolarHBondContact O-CB 3.4Å; D59-E63 PolarHBondContact O-N 2.88Å; I60-E63 PolarHBondContact O-N 2.76Å; E63-R65 VanDerWaalsContact C-N 3.33Å; E63-R65 PolarHBondContact O-N 3.12Å; E63-A66 WeakPolarHBondContact O-CB 2.97Å; E63-A66 PolarHBondContact O-N 3.48Å; E63-V67 WeakPolarHBondContact O-CG2 3.47Å; E63-V67 PolarHBondContact O-N 2.95Å
64K98.4Very high98.2Very high21 Ų2165.1 Ų65.19%0.09133%0.331CS..Hα-helixtrans-64.7-35.6-178.3-62-55.5174.4174.80112.9F19 E21 F33 F40 I60 L61 E62 A66 V67F19-K64 HydrophobicContact CE1-CD 4.26Å; E21-K64 VanDerWaalsContact CD-NZ 3.27Å; E21-K64 IonicContact OE1-NZ 2.91Å; E21-K64 PolarHBondContact OE1-NZ 3.42Å; E21-K64 WeakPolarHBondContact OE2-CD 3.42Å; E21-K64 WeakPolarHBondContact OE2-CE 3.32Å; E21-K64 IonicContact OE2-NZ 3.4Å; E21-K64 PolarHBondContact OE2-NZ 3.31Å; F33-K64 HydrophobicContact CD1-CB 3.91Å; F33-K64 HydrophobicContact CD2-CB 3.84Å; F33-K64 HydrophobicContact CD2-CG 4.43Å; F33-K64 HydrophobicContact CE1-CB 3.69Å; F33-K64 WeakPolarHBondContact CE1-O 3.2Å; F33-K64 HydrophobicContact CE2-CB 3.6Å; F33-K64 HydrophobicContact CG-CB 3.99Å; F33-K64 HydrophobicContact CG-CG 4.49Å; F33-K64 HydrophobicContact CZ-CB 3.53Å; F40-K64 HydrophobicContact CE2-CG 4.14Å; F40-K64 HydrophobicContact CZ-CG 3.93Å; I60-K64 HydrophobicContact CG2-CG 4.25Å; I60-K64 VanDerWaalsContact O-CG 3.31Å; I60-K64 WeakPolarHBondContact O-CG 3.38Å; I60-K64 PolarHBondContact O-N 2.82Å; L61-K64 PolarHBondContact O-N 2.82Å; E62-K64 PolarHBondContact O-N 3.3Å; K64-A66 PolarHBondContact O-N 2.7Å; K64-V67 HydrophobicContact CD-CG2 4.5Å; K64-V67 WeakPolarHBondContact O-CB 3.21Å; K64-V67 PolarHBondContact O-N 3.03Å
65R98.6Very high98Very high126 Ų12665.2 Ų65.248%0.47534%0.336SS..Hα-helixtrans-66.5-26174-72.6165.7-175174.3-1.5112.8F33 G38 L61 E62 E63 P68F33-R65 HydrophobicContact CE2-CG 4.45Å; F33-R65 HydrophobicContact CZ-CG 3.96Å; G38-R65 VanDerWaalsContact O-CZ 3.28Å; G38-R65 PolarHBondContact O-NE 3.06Å; G38-R65 PolarHBondContact O-NH2 3.41Å; L61-R65 WeakPolarHBondContact O-CB 3.4Å; L61-R65 WeakPolarHBondContact O-CD 3.49Å; L61-R65 WeakPolarHBondContact O-CG 3.46Å; L61-R65 PolarHBondContact O-N 3.32Å; E62-R65 PolarHBondContact O-N 2.9Å; E63-R65 VanDerWaalsContact C-N 3.33Å; E63-R65 PolarHBondContact O-N 3.12Å; R65-P68 WeakPolarHBondContact O-CD 3.23Å
66A98.7Very high97.8Very high57 Ų5767.3 Ų67.347%0.47134%0.342SS..Hα-helixtrans-84.1-15.8177.700000113.6E62 E63 K64 P68 D69 G70E62-A66 PolarHBondContact O-N 2.94Å; E62-A66 VanDerWaalsContact O-N 3.12Å; E63-A66 WeakPolarHBondContact O-CB 2.97Å; E63-A66 PolarHBondContact O-N 3.48Å; K64-A66 PolarHBondContact O-N 2.7Å; A66-P68 VanDerWaalsContact C-CD 3.46Å; A66-D69 PolarHBondContact O-N 3.36Å; A66-G70 PolarHBondContact O-N 3.03Å
67V98.7Very high97.6Very high19 Ų1968.4 Ų68.412%0.11534%0.339CS..THydrogen-bonded Turntrans-56.4-40.7-176.9178.70000114.4F19 E63 K64 D69 G70 M71 C72F19-V67 HydrophobicContact CB-CB 4.37Å; F19-V67 HydrophobicContact CB-CG1 4.14Å; F19-V67 HydrophobicContact CD1-CB 3.66Å; F19-V67 HydrophobicContact CD1-CG1 3.68Å; F19-V67 HydrophobicContact CD1-CG2 4.17Å; F19-V67 HydrophobicContact CD2-CB 4.36Å; F19-V67 HydrophobicContact CD2-CG1 3.46Å; F19-V67 VanDerWaalsContact CD2-CG1 3.46Å; F19-V67 HydrophobicContact CE1-CB 3.97Å; F19-V67 HydrophobicContact CE1-CG1 3.87Å; F19-V67 HydrophobicContact CE1-CG2 3.99Å; F19-V67 HydrophobicContact CE2-CG1 3.66Å; F19-V67 HydrophobicContact CG-CB 3.87Å; F19-V67 HydrophobicContact CG-CG1 3.47Å; F19-V67 VanDerWaalsContact CG-CG1 3.47Å; F19-V67 HydrophobicContact CZ-CB 4.43Å; F19-V67 HydrophobicContact CZ-CG1 3.84Å; F19-V67 HydrophobicContact CZ-CG2 4.41Å; E63-V67 WeakPolarHBondContact O-CG2 3.47Å; E63-V67 PolarHBondContact O-N 2.95Å; K64-V67 HydrophobicContact CD-CG2 4.5Å; K64-V67 WeakPolarHBondContact O-CB 3.21Å; K64-V67 PolarHBondContact O-N 3.03Å; V67-D69 PolarHBondContact O-N 2.9Å; V67-G70 CarbonylContact O-C 3.55Å; V67-G70 PolarHBondContact O-N 3.03Å; V67-M71 HydrophobicContact CG1-CB 4.2Å; V67-M71 HydrophobicContact CG1-CE 3.76Å; V67-M71 PolarHBondContact O-N 3.46Å; V67-M71 VanDerWaalsContact O-N 3.13Å; V67-C72 PolarHBondContact O-N 3.04Å
68P98.7Very high97.3Very high12 Ų1271 Ų718%0.07835%0.353CS..Iπ-helixtrans-54.8-48.5177.1-26.934.8000113.7Q17 F19 S35 R65 A66 C72 R73Q17-P68 HydrophobicContact CB-CB 4.08Å; Q17-P68 WeakPolarHBondContact CB-O 3.44Å; F19-P68 HydrophobicContact CB-CG 3.83Å; S35-P68 VanDerWaalsContact CB-CG 3.48Å; R65-P68 WeakPolarHBondContact O-CD 3.23Å; A66-P68 VanDerWaalsContact C-CD 3.46Å; P68-C72 WeakPolarHBondContact O-CB 3.43Å; P68-R73 WeakPolarHBondContact O-CB 3.07Å; P68-R73 PolarHBondContact O-N 2.94Å
69D98.1Very high96.9Very high109 Ų10969 Ų6958%0.58335%0.349SS*.Iπ-helixtrans-85.2-22.3-178.3-74.9-38.3000113.5A66 V67 R73A66-D69 PolarHBondContact O-N 3.36Å; V67-D69 PolarHBondContact O-N 2.9Å; D69-R73 IonicContact OD1-CZ 3.14Å; D69-R73 IonicContact OD1-NE 3.03Å; D69-R73 PolarHBondContact OD1-NE 3.12Å; D69-R73 VanDerWaalsContact OD1-NE 3.14Å; D69-R73 IonicContact OD1-NH2 2.7Å; D69-R73 PolarHBondContact OD1-NH2 2.83Å
70G97.8Very high96.4Very high38 Ų3866.9 Ų66.939%0.39234%0.335SS..Iπ-helixtrans-82.1-99.8171.900000111.5A66 V67 C72 H74A66-G70 PolarHBondContact O-N 3.03Å; V67-G70 CarbonylContact O-C 3.55Å; V67-G70 PolarHBondContact O-N 3.03Å; G70-C72 PolarHBondContact O-N 3.13Å; G70-H74 WeakPolarHBondContact O-CB 3.46Å; G70-H74 PolarHBondContact O-N 2.04Å
71M97.8Very high95.7Very high70 Ų7069.5 Ų69.535%0.34536%0.361SS..Iπ-helixtrans-60.6-46.2-171.2-178.2-16377.500113.3F19 V67 N75F19-M71 HydrophobicContact CD2-CE 4.44Å; F19-M71 HydrophobicContact CE2-CE 4.15Å; V67-M71 HydrophobicContact CG1-CB 4.2Å; V67-M71 HydrophobicContact CG1-CE 3.76Å; V67-M71 PolarHBondContact O-N 3.46Å; V67-M71 VanDerWaalsContact O-N 3.13Å; M71-N75 WeakPolarHBondContact O-CB 3.45Å; M71-N75 VanDerWaalsContact O-CG 3.29Å; M71-N75 PolarHBondContact O-N 3.39Å
72C98.2Very high95Very high1 Ų172.9 Ų72.91%0.00738%0.381CS..Iπ-helixtrans-65-50.8-174.2-69.80000111.5C10 Q17 V67 P68 G70 N75 Y76C10-C72 HydrophobicContact CB-CB 3.61Å; C10-C72 WeakPolarHBondContact CB-SG 3.45Å; C10-C72 WeakPolarHBondContact SG-CA 3.42Å; C10-C72 WeakPolarHBondContact SG-CB 3.04Å; C10-C72 CovalentContact SG-SG 2.04Å; C10-C72 PolarHBondContact SG-SG 3.41Å; Q17-C72 HydrophobicContact CB-CB 4.15Å; Q17-C72 HydrophobicContact CG-CB 4.32Å; V67-C72 PolarHBondContact O-N 3.04Å; P68-C72 WeakPolarHBondContact O-CB 3.43Å; G70-C72 PolarHBondContact O-N 3.13Å; C72-N75 PolarHBondContact O-N 3.01Å; C72-Y76 WeakPolarHBondContact O-CB 3.4Å; C72-Y76 PolarHBondContact O-N 3.31Å
73R97.7Very high94Very high76 Ų7669.6 Ų69.629%0.28737%0.37SS..Hα-helixtrans-60.2-48176.3-174.9179.2-60.5-80-0.9111.8Q17 P68 D69 N75 Y76 E77Q17-R73 HydrophobicContact CG-CB 4.12Å; P68-R73 WeakPolarHBondContact O-CB 3.07Å; P68-R73 PolarHBondContact O-N 2.94Å; D69-R73 IonicContact OD1-CZ 3.14Å; D69-R73 IonicContact OD1-NE 3.03Å; D69-R73 PolarHBondContact OD1-NE 3.12Å; D69-R73 VanDerWaalsContact OD1-NE 3.14Å; D69-R73 IonicContact OD1-NH2 2.7Å; D69-R73 PolarHBondContact OD1-NH2 2.83Å; R73-N75 PolarHBondContact O-N 3.44Å; R73-Y76 PolarHBondContact O-N 3.49Å; R73-E77 HydrophobicContact CG-CG 4.39Å; R73-E77 VanDerWaalsContact CG-OE1 3.23Å; R73-E77 WeakPolarHBondContact CG-OE1 3.14Å; R73-E77 WeakPolarHBondContact O-CG 3.42Å; R73-E77 PolarHBondContact O-N 3.4Å
74H96.2Very high92.9Very high105 Ų10567 Ų6749%0.48636%0.359SS..Hα-helixtrans-55.4-49.8179.5176.767.6000112.4G70 E77 L78G70-H74 WeakPolarHBondContact O-CB 3.46Å; G70-H74 PolarHBondContact O-N 2.04Å; H74-E77 PolarHBondContact O-N 3.5Å; H74-L78 WeakPolarHBondContact NE2-CD1 3.37Å; H74-L78 WeakPolarHBondContact O-CG 3.39Å; H74-L78 PolarHBondContact O-N 3.15Å; H74-L78 VanDerWaalsContact O-N 3.16Å
75N95.6Very high91.6Very high73 Ų7372.5 Ų72.539%0.3939%0.385SS..Hα-helixtrans-67.6-39.9-179.5-69.6-11.4000111.8M71 C72 R73 E77 L78 D79M71-N75 WeakPolarHBondContact O-CB 3.45Å; M71-N75 VanDerWaalsContact O-CG 3.29Å; M71-N75 PolarHBondContact O-N 3.39Å; C72-N75 PolarHBondContact O-N 3.01Å; R73-N75 PolarHBondContact O-N 3.44Å; N75-E77 PolarHBondContact O-N 3Å; N75-L78 PolarHBondContact O-N 3.24Å; N75-D79 WeakPolarHBondContact O-CB 3.4Å; N75-D79 PolarHBondContact O-N 2.74Å
76Y94.7Very high89.9Confident78 Ų7875.8 Ų75.831%0.30640%0.398SS..Hα-helixtrans-60.9-44.5176.6-179.3-91.1000111.9A12 C72 R73 D79 E80 L84A12-Y76 HydrophobicContact CB-CD2 3.43Å; A12-Y76 VanDerWaalsContact CB-CD2 3.43Å; A12-Y76 HydrophobicContact CB-CE2 3.47Å; A12-Y76 VanDerWaalsContact CB-CE2 3.47Å; A12-Y76 HydrophobicContact CB-CG 4.13Å; C72-Y76 WeakPolarHBondContact O-CB 3.4Å; C72-Y76 PolarHBondContact O-N 3.31Å; R73-Y76 PolarHBondContact O-N 3.49Å; Y76-D79 PolarHBondContact O-N 3Å; Y76-E80 HydrophobicContact CE1-CB 4.26Å; Y76-E80 VanDerWaalsContact O-CB 3.25Å; Y76-E80 WeakPolarHBondContact O-CB 3.25Å; Y76-E80 PolarHBondContact O-N 2.95Å; Y76-L84 HydrophobicContact CD2-CD1 4.16Å; Y76-L84 HydrophobicContact CE2-CD1 3.57Å
77E93.4Very high88Confident101 Ų10185.2 Ų85.247%0.47242%0.421SS..Hα-helixtrans-66-37.9179.8-71.7172.2-178.600112.3R73 H74 N75 E80 A81R73-E77 HydrophobicContact CG-CG 4.39Å; R73-E77 VanDerWaalsContact CG-OE1 3.23Å; R73-E77 WeakPolarHBondContact CG-OE1 3.14Å; R73-E77 WeakPolarHBondContact O-CG 3.42Å; R73-E77 PolarHBondContact O-N 3.4Å; H74-E77 PolarHBondContact O-N 3.5Å; N75-E77 PolarHBondContact O-N 3Å; E77-E80 PolarHBondContact O-N 3.26Å; E77-A81 PolarHBondContact O-N 3.42Å; E77-A81 VanDerWaalsContact O-N 3.15Å
78L92.2Very high87.4Confident92 Ų9288.6 Ų88.648%0.48244%0.437SS..Hα-helixtrans-63.5-46.7172.5-72.5176.5000111.7H74 N75 E80 A81 V82H74-L78 WeakPolarHBondContact NE2-CD1 3.37Å; H74-L78 WeakPolarHBondContact O-CG 3.39Å; H74-L78 PolarHBondContact O-N 3.15Å; H74-L78 VanDerWaalsContact O-N 3.16Å; N75-L78 PolarHBondContact O-N 3.24Å; L78-E80 VanDerWaalsContact C-N 3.34Å; L78-A81 PolarHBondContact O-N 3.15Å; L78-V82 WeakPolarHBondContact O-CG2 3.12Å; L78-V82 PolarHBondContact O-N 3.28Å
79D89.8Confident86.9Confident89 Ų8992.6 Ų92.648%0.47646%0.455SS..Hα-helixtrans-69.9-31.1178.6-81.7-18.6000112.5N75 Y76 V82 T83 L84N75-D79 WeakPolarHBondContact O-CB 3.4Å; N75-D79 PolarHBondContact O-N 2.74Å; Y76-D79 PolarHBondContact O-N 3Å; D79-V82 PolarHBondContact O-N 3.25Å; D79-T83 CarbonylContact O-C 3.49Å; D79-T83 VanDerWaalsContact O-CA 3.3Å; D79-T83 WeakPolarHBondContact O-CA 3.44Å; D79-T83 WeakPolarHBondContact O-CB 3.3Å; D79-T83 PolarHBondContact O-N 2.9Å; D79-L84 PolarHBondContact O-N 3.16Å
80E86.5Confident86.2Confident66 Ų6691.7 Ų91.731%0.30845%0.448SS..Hα-helixtrans-63.9-48.4175.4-176.1168.8-132.700110.3Y76 E77 L78 V82 L84 Q85Y76-E80 HydrophobicContact CE1-CB 4.26Å; Y76-E80 VanDerWaalsContact O-CB 3.25Å; Y76-E80 WeakPolarHBondContact O-CB 3.25Å; Y76-E80 PolarHBondContact O-N 2.95Å; E77-E80 PolarHBondContact O-N 3.26Å; L78-E80 VanDerWaalsContact C-N 3.34Å; E80-V82 PolarHBondContact O-N 2.72Å; E80-L84 HydrophobicContact CB-CD1 4.46Å; E80-Q85 HydrophobicContact CG-CG 4.05Å; E80-Q85 WeakPolarHBondContact O-CB 3.34Å; E80-Q85 WeakPolarHBondContact O-CG 3.44Å; E80-Q85 PolarHBondContact O-N 3.47Å
81A83.9Confident85.6Confident77 Ų7794.8 Ų94.864%0.63645%0.452SS*.Hα-helixtrans-62.4-28.4179.300000113.6E77 L78E77-A81 PolarHBondContact O-N 3.42Å; E77-A81 VanDerWaalsContact O-N 3.15Å; L78-A81 PolarHBondContact O-N 3.15Å
82V83Confident84.8Confident75 Ų7596.4 Ų96.446%0.45546%0.458SS..Hα-helixtrans-112.9-38.6-170.4-176.40000113.8L78 D79 E80 R86L78-V82 WeakPolarHBondContact O-CG2 3.12Å; L78-V82 PolarHBondContact O-N 3.28Å; D79-V82 PolarHBondContact O-N 3.25Å; E80-V82 PolarHBondContact O-N 2.72Å; V82-R86 WeakPolarHBondContact O-CD 3.5Å; V82-R86 WeakPolarHBondContact O-CG 3.07Å; V82-R86 PolarHBondContact O-NE 3.47Å
83T77.6Confident83.9Confident60 Ų60102.7 Ų102.737%0.36849%0.489SS..THydrogen-bonded Turntrans-115.6-48-166.2-55.10000112.6D79 R86D79-T83 CarbonylContact O-C 3.49Å; D79-T83 VanDerWaalsContact O-CA 3.3Å; D79-T83 WeakPolarHBondContact O-CA 3.44Å; D79-T83 WeakPolarHBondContact O-CB 3.3Å; D79-T83 PolarHBondContact O-N 2.9Å; T83-R86 PolarHBondContact O-N 2.97Å
84L75.8Confident82.9Confident61 Ų61104.6 Ų104.632%0.31950%0.503SS..G310 helixtrans-77.2-37.4-171.9-58173.2000113Y76 D79 E80 R86 R87Y76-L84 HydrophobicContact CD2-CD1 4.16Å; Y76-L84 HydrophobicContact CE2-CD1 3.57Å; D79-L84 PolarHBondContact O-N 3.16Å; E80-L84 HydrophobicContact CB-CD1 4.46Å; L84-R86 PolarHBondContact O-N 3.5Å; L84-R86 VanDerWaalsContact O-N 3.15Å; L84-R87 PolarHBondContact O-N 3.31Å
85Q71.8Confident81.9Confident137 Ų137104.6 Ų104.664%0.6450%0.504SS*.G310 helixtrans-69.6-6.2175.8-67.3-70.1-26.900113.7E80E80-Q85 HydrophobicContact CG-CG 4.05Å; E80-Q85 WeakPolarHBondContact O-CB 3.34Å; E80-Q85 WeakPolarHBondContact O-CG 3.44Å; E80-Q85 PolarHBondContact O-N 3.47Å
86R62.8Low80.7Confident196 Ų196107.3 Ų107.374%0.7451%0.514SS*.G310 helixtrans-97.60.2177.4-61.5-172.3-175.8165.34.3113.6V82 T83 L84V82-R86 WeakPolarHBondContact O-CD 3.5Å; V82-R86 WeakPolarHBondContact O-CG 3.07Å; V82-R86 PolarHBondContact O-NE 3.47Å; T83-R86 PolarHBondContact O-N 2.97Å; L84-R86 PolarHBondContact O-N 3.5Å; L84-R86 VanDerWaalsContact O-N 3.15Å
87R57.7Low79.5Confident255 Ų255109.9 Ų109.996%0.96253%0.533SS*.  trans-98.60176.3-69.1-177.6175.2-179.50.1110.4L84L84-R87 PolarHBondContact O-N 3.31Å

Retrieved 87 of 87 residues in 28.5 ms (Link to these results)

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