A0A096MAX8_POEFO Loading...

ISG15 ubiquitin like modifier

AlphaFold DB , UniProt , Accession A0A096MAX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 155 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
1M93.4Very high91.4Very high47 Ų4760.5 Ų60.523%0.23233%0.333CS..  0153.6066.2-173.5-179.200108.8I3 V17 P19 I65 G66 P67M1-I3 HydrophobicContact CE-CG2 4.3Å; M1-I3 HydrophobicContact CG-CG2 4.5Å; M1-V17 HydrophobicContact CE-CG2 3.87Å; M1-V17 HydrophobicContact CG-CG2 3.89Å; M1-V17 PolarHBondContact N-O 3.37Å; M1-V17 PolarHBondContact O-N 3.4Å; M1-V17 VanDerWaalsContact O-O 3.06Å; M1-P19 HydrophobicContact CE-CB 4.32Å; M1-P19 HydrophobicContact CE-CG 4.1Å; M1-P19 HydrophobicContact SD-CG 3.81Å; M1-I65 HydrophobicContact CE-CG2 4.3Å; M1-I65 VanDerWaalsContact CE-O 3.28Å; M1-I65 WeakPolarHBondContact CE-O 3.25Å; M1-G66 VanDerWaalsContact SD-C 3.53Å; M1-P67 HydrophobicContact CB-CB 4.15Å; M1-P67 HydrophobicContact CB-CG 3.87Å; M1-P67 HydrophobicContact SD-CG 4.25Å
2D95.1Very high91.6Very high79 Ų7961.2 Ų61.242%0.42234%0.34SS..EExtended strand (participates in β ladder)trans-96.7135.9178.1-61.8-17000109.1T14 L15 P67 G68D2-T14 HydrophobicContact CB-CG2 3.85Å; D2-L15 WeakPolarHBondContact CA-O 3.24Å; D2-P67 CarbonylContact O-C 3.59Å; D2-G68 PolarHBondContact O-N 3.5Å
3I96.2Very high91.8Very high0 Ų068.4 Ų68.40%036%0.359CS..EExtended strand (participates in β ladder)trans-125.5158.9173.264.4166.9000109.4M1 I5 T14 L15 V17 L26 I65M1-I3 HydrophobicContact CE-CG2 4.3Å; M1-I3 HydrophobicContact CG-CG2 4.5Å; I3-I5 HydrophobicContact CD1-CD1 3.97Å; I3-I5 HydrophobicContact CG1-CD1 4.45Å; I3-T14 CarbonylContact O-C 3.55Å; I3-T14 WeakPolarHBondContact O-CA 3.45Å; I3-L15 HydrophobicContact CG1-CB 4.36Å; I3-L15 PolarHBondContact N-O 3.26Å; I3-L15 PolarHBondContact O-N 3.26Å; I3-V17 HydrophobicContact CB-CG2 4.44Å; I3-V17 HydrophobicContact CD1-CG1 3.92Å; I3-V17 HydrophobicContact CD1-CG2 3.95Å; I3-V17 HydrophobicContact CG1-CG1 4.07Å; I3-V17 HydrophobicContact CG1-CG2 3.88Å; I3-V17 HydrophobicContact CG2-CG2 3.78Å; I3-L26 HydrophobicContact CD1-CD1 3.93Å; I3-L26 HydrophobicContact CD1-CD2 4.05Å; I3-I65 HydrophobicContact CG2-CG2 3.93Å
4H95.9Very high92.1Very high61 Ų6169.1 Ų69.128%0.28237%0.368SS..EExtended strand (participates in β ladder)trans-111117.1-177.7-60.3-59.5000110.6T12 T14 G68 S69 Q70 V71H4-T12 HydrophobicContact CB-CG2 3.67Å; H4-T14 PolarHBondContact CE1-OG1 3.15Å; H4-T14 PolarHBondContact ND1-OG1 3.47Å; H4-T14 VanDerWaalsContact ND1-OG1 3.08Å; H4-G68 PolarHBondContact CD2-O 3.04Å; H4-S69 PolarHBondContact N-O 3.2Å; H4-Q70 HydrophobicContact CB-CG 4.34Å; H4-Q70 CarbonylContact O-C 3.54Å; H4-Q70 VanDerWaalsContact O-CA 3.32Å; H4-Q70 WeakPolarHBondContact O-CA 3.28Å; H4-V71 PolarHBondContact O-N 2.83Å
5I96.1Very high92.3Very high0 Ų065.3 Ų65.30%035%0.347CS..EExtended strand (participates in β ladder)trans-90.4110.8172.7-53.5-52.4000108.6I3 T12 R13 L15 L26 I30 L34 V71 L73I3-I5 HydrophobicContact CD1-CD1 3.97Å; I3-I5 HydrophobicContact CG1-CD1 4.45Å; I5-T12 CarbonylContact O-C 3.53Å; I5-T12 WeakPolarHBondContact O-CA 3.5Å; I5-R13 PolarHBondContact N-O 3.07Å; I5-R13 PolarHBondContact O-N 2.81Å; I5-L15 HydrophobicContact CD1-CD1 4.36Å; I5-L15 HydrophobicContact CG1-CD1 3.57Å; I5-L15 HydrophobicContact CG1-CG 3.92Å; I5-L26 HydrophobicContact CD1-CD1 4.41Å; I5-I30 HydrophobicContact CD1-CD1 4.07Å; I5-I30 HydrophobicContact CG1-CD1 4.19Å; I5-I30 HydrophobicContact CG1-CG1 4.3Å; I5-I30 HydrophobicContact CG2-CD1 4.28Å; I5-L34 HydrophobicContact CG2-CD1 4.34Å; I5-V71 CarbonylContact C-O 3.57Å; I5-V71 WeakPolarHBondContact CA-O 3.26Å; I5-V71 HydrophobicContact CD1-CB 3.91Å; I5-V71 HydrophobicContact CD1-CG1 4.41Å; I5-L73 HydrophobicContact CG2-CB 3.73Å; I5-L73 HydrophobicContact CG2-CD2 4.16Å
6K94.8Very high92.5Very high81 Ų8171.1 Ų71.135%0.35237%0.368SS..EExtended strand (participates in β ladder)trans-97.7125.1178.6-176175.5-178.4177.40110.7Q70 V71 S72 L73K6-Q70 HydrophobicContact CB-CG 3.99Å; K6-V71 PolarHBondContact N-O 2.86Å; K6-S72 CarbonylContact O-C 3.53Å; K6-S72 WeakPolarHBondContact O-CA 3.44Å; K6-L73 PolarHBondContact O-N 3.4Å
7M91.3Very high92.6Very high36 Ų3667.2 Ų67.218%0.17735%0.349CS..EExtended strand (participates in β ladder)trans-90.4163.2175.3-61.1-178.2-152.900111.6N9 G10 T11 R13 L34M7-N9 VanDerWaalsContact CB-OD1 3.24Å; M7-N9 WeakPolarHBondContact CB-OD1 3.44Å; M7-N9 PolarHBondContact O-N 3.08Å; M7-G10 PolarHBondContact O-N 3.29Å; M7-T11 PolarHBondContact N-O 2.81Å; M7-T11 PolarHBondContact SD-OG1 3.4Å; M7-T11 VanDerWaalsContact SD-OG1 3.33Å; M7-R13 HydrophobicContact CE-CG 4.09Å; M7-L34 HydrophobicContact CE-CD1 3.6Å; M7-L34 HydrophobicContact CE-CD2 3.72Å; M7-L34 HydrophobicContact CE-CG 4.13Å
8L84.4Confident92.8Very high136 Ų13668.2 Ų68.271%0.71235%0.354SS*.THydrogen-bonded Turntrans-61.1-29.8177.3-74.7178.1000114.2G10 L74L8-G10 PolarHBondContact O-N 2.93Å; L8-L74 HydrophobicContact CD1-CD2 3.85Å; L8-L74 HydrophobicContact CD2-CD2 3.41Å; L8-L74 VanDerWaalsContact CD2-CD2 3.41Å; L8-L74 HydrophobicContact CG-CD2 3.73Å
9N84.7Confident92.8Very high117 Ų11767.2 Ų67.263%0.62635%0.353SS*.THydrogen-bonded Turntrans-74.34.6175.167.90.3000113.3M7 T11M7-N9 VanDerWaalsContact CB-OD1 3.24Å; M7-N9 WeakPolarHBondContact CB-OD1 3.44Å; M7-N9 PolarHBondContact O-N 3.08Å; N9-T11 VanDerWaalsContact C-N 3.28Å; N9-T11 PolarHBondContact ND2-OG1 2.78Å; N9-T11 PolarHBondContact O-N 3.42Å; N9-T11 WeakPolarHBondContact OD1-CB 3.45Å; N9-T11 WeakPolarHBondContact OD1-CG2 3.46Å; N9-T11 PolarHBondContact OD1-N 3.47Å; N9-T11 PolarHBondContact OD1-OG1 2.94Å
10G83.8Confident93Very high45 Ų4570.4 Ų70.446%0.46437%0.366SS..SBendtrans83.5-6.6-179.200000114.7M7 L8M7-G10 PolarHBondContact O-N 3.29Å; L8-G10 PolarHBondContact O-N 2.93Å
11T90Very high93.1Very high64 Ų6468.5 Ų68.539%0.39336%0.356SS..  trans-72.2140.1176.863.70000111.1M7 N9M7-T11 PolarHBondContact N-O 2.81Å; M7-T11 PolarHBondContact SD-OG1 3.4Å; M7-T11 VanDerWaalsContact SD-OG1 3.33Å; N9-T11 VanDerWaalsContact C-N 3.28Å; N9-T11 PolarHBondContact ND2-OG1 2.78Å; N9-T11 PolarHBondContact O-N 3.42Å; N9-T11 WeakPolarHBondContact OD1-CB 3.45Å; N9-T11 WeakPolarHBondContact OD1-CG2 3.46Å; N9-T11 PolarHBondContact OD1-N 3.47Å; N9-T11 PolarHBondContact OD1-OG1 2.94Å
12T93.5Very high93.3Very high68 Ų6868.6 Ų68.642%0.41736%0.36SS..EExtended strand (participates in β ladder)trans-120.5135.4179.6-60.70000109.8H4 I5H4-T12 HydrophobicContact CB-CG2 3.67Å; I5-T12 CarbonylContact O-C 3.53Å; I5-T12 WeakPolarHBondContact O-CA 3.5Å
13R94.7Very high93.4Very high155 Ų15564.9 Ų64.959%0.58534%0.339SS*.EExtended strand (participates in β ladder)trans-122.7129176.4-74.6-75.2-173.6178.21110.1I5 M7 L34I5-R13 PolarHBondContact N-O 3.07Å; I5-R13 PolarHBondContact O-N 2.81Å; M7-R13 HydrophobicContact CE-CG 4.09Å; R13-L34 HydrophobicContact CB-CD2 4.2Å; R13-L34 HydrophobicContact CG-CD2 3.75Å
14T95.8Very high93.4Very high79 Ų7965.7 Ų65.749%0.48535%0.348SS..EExtended strand (participates in β ladder)trans-86.2126.2177.9-56.60000109.5D2 I3 H4D2-T14 HydrophobicContact CB-CG2 3.85Å; I3-T14 CarbonylContact O-C 3.55Å; I3-T14 WeakPolarHBondContact O-CA 3.45Å; H4-T14 PolarHBondContact CE1-OG1 3.15Å; H4-T14 PolarHBondContact ND1-OG1 3.47Å; H4-T14 VanDerWaalsContact ND1-OG1 3.08Å
15L94.9Very high93.4Very high12 Ų1264.5 Ų64.56%0.06335%0.347CS..EExtended strand (participates in β ladder)trans-118.2137.2175.3-62.8-174.4000110.2D2 I3 I5 V17 L26 I30 E33D2-L15 WeakPolarHBondContact CA-O 3.24Å; I3-L15 HydrophobicContact CG1-CB 4.36Å; I3-L15 PolarHBondContact N-O 3.26Å; I3-L15 PolarHBondContact O-N 3.26Å; I5-L15 HydrophobicContact CD1-CD1 4.36Å; I5-L15 HydrophobicContact CG1-CD1 3.57Å; I5-L15 HydrophobicContact CG1-CG 3.92Å; L15-V17 HydrophobicContact CB-CG1 4.41Å; L15-L26 HydrophobicContact CD1-CD1 4.11Å; L15-I30 HydrophobicContact CD1-CG1 3.65Å; L15-E33 HydrophobicContact CD2-CB 4.2Å; L15-E33 HydrophobicContact CD2-CG 3.89Å
16K95Very high93.4Very high157 Ų15764.5 Ų64.568%0.68335%0.347SS*.EExtended strand (participates in β ladder)trans-90.1115.2174.5-172.3171-176.4175.60110.1R29K16-R29 PolarHBondContact O-NH1 3.3Å
17V94.8Very high93.4Very high6 Ų661.8 Ų61.84%0.03634%0.335CS..  trans-126.6160.5-175.2-59.40000111.9M1 I3 L15 L26 L60M1-V17 HydrophobicContact CE-CG2 3.87Å; M1-V17 HydrophobicContact CG-CG2 3.89Å; M1-V17 PolarHBondContact N-O 3.37Å; M1-V17 PolarHBondContact O-N 3.4Å; M1-V17 VanDerWaalsContact O-O 3.06Å; I3-V17 HydrophobicContact CB-CG2 4.44Å; I3-V17 HydrophobicContact CD1-CG1 3.92Å; I3-V17 HydrophobicContact CD1-CG2 3.95Å; I3-V17 HydrophobicContact CG1-CG1 4.07Å; I3-V17 HydrophobicContact CG1-CG2 3.88Å; I3-V17 HydrophobicContact CG2-CG2 3.78Å; L15-V17 HydrophobicContact CB-CG1 4.41Å; V17-L26 HydrophobicContact CG1-CD1 4.01Å; V17-L60 HydrophobicContact CB-CD1 3.97Å; V17-L60 HydrophobicContact CG1-CD1 4.33Å; V17-L60 HydrophobicContact CG2-CD1 3.84Å
18N95.4Very high93.6Very high84 Ų8464.4 Ų64.445%0.44935%0.348SS..  trans-94.3140.5167.5-169-46.2000109.7Q20 D21N18-Q20 PolarHBondContact O-N 2.85Å; N18-Q20 VanDerWaalsContact O-N 3.09Å; N18-Q20 PolarHBondContact OD1-N 2.76Å; N18-D21 HydrophobicContact CB-CB 4.42Å; N18-D21 WeakPolarHBondContact CB-OD1 3.3Å; N18-D21 PolarHBondContact N-OD2 3.24Å; N18-D21 WeakPolarHBondContact O-CB 3.44Å; N18-D21 PolarHBondContact O-N 2.74Å
19P93.8Very high94.1Very high50 Ų5062.4 Ų62.433%0.32533%0.331SS..THydrogen-bonded Turntrans-52.7-25.4170.9-26.632.2000115.4M1 S61M1-P19 HydrophobicContact CE-CB 4.32Å; M1-P19 HydrophobicContact CE-CG 4.1Å; M1-P19 HydrophobicContact SD-CG 3.81Å; P19-S61 WeakPolarHBondContact O-CB 3.5Å; P19-S61 PolarHBondContact O-N 2.79Å; P19-S61 PolarHBondContact O-OG 2.77Å
20Q95.7Very high94.5Very high131 Ų13156.9 Ų56.961%0.61230%0.301SS*.THydrogen-bonded Turntrans-90.7-5.6176.2-60.6-58.6-26.300113.7N18 T22N18-Q20 PolarHBondContact O-N 2.85Å; N18-Q20 VanDerWaalsContact O-N 3.09Å; N18-Q20 PolarHBondContact OD1-N 2.76Å; Q20-T22 PolarHBondContact O-N 3.27Å
21D96.3Very high95Very high31 Ų3158.2 Ų58.217%0.16630%0.295CS..  trans-57.7137.7170.6-75.8-9.5000108.3N18 S25 R29 P59 L60N18-D21 HydrophobicContact CB-CB 4.42Å; N18-D21 WeakPolarHBondContact CB-OD1 3.3Å; N18-D21 PolarHBondContact N-OD2 3.24Å; N18-D21 WeakPolarHBondContact O-CB 3.44Å; N18-D21 PolarHBondContact O-N 2.74Å; D21-S25 WeakPolarHBondContact CB-OG 3.31Å; D21-R29 IonicContact OD2-CZ 2.82Å; D21-R29 IonicContact OD2-NE 2.68Å; D21-R29 IonicContact OD2-NH2 2.85Å; D21-R29 PolarHBondContact OD2-NH2 2.71Å; D21-R29 VanDerWaalsContact OD2-NH2 3.11Å; D21-P59 CarbonylContact O-C 3.56Å; D21-P59 WeakPolarHBondContact O-CA 3.37Å; D21-L60 HydrophobicContact CB-CD1 4.25Å; D21-L60 WeakPolarHBondContact O-CG 3.37Å; D21-L60 PolarHBondContact O-N 3.15Å
22T97.6Very high95Very high49 Ų4962.4 Ų62.430%0.30131%0.31SS..BIsolated β-bridgetrans-80.1159.3175.868.80000111.1Q20 G24 S25 L26 D56 S57 K58Q20-T22 PolarHBondContact O-N 3.27Å; T22-G24 PolarHBondContact O-N 3.1Å; T22-S25 PolarHBondContact N-OG 3.22Å; T22-S25 PolarHBondContact O-N 3.39Å; T22-S25 PolarHBondContact O-OG 2.89Å; T22-S25 PolarHBondContact OG1-N 2.74Å; T22-S25 VanDerWaalsContact OG1-N 3.15Å; T22-L26 PolarHBondContact O-N 2.91Å; T22-D56 VanDerWaalsContact CB-O 3.27Å; T22-D56 WeakPolarHBondContact CB-O 3.31Å; T22-D56 PolarHBondContact OG1-O 3.11Å; T22-S57 WeakPolarHBondContact CG2-O 3.4Å; T22-K58 CarbonylContact C-O 3.55Å; T22-K58 VanDerWaalsContact CA-O 3.27Å; T22-K58 WeakPolarHBondContact CA-O 3.34Å
23V96.9Very high94.9Very high0 Ų065.8 Ų65.80%032%0.321CS..Hα-helixtrans-54.4-39.5171.7173.40000111.1S25 L26 K27 L53 D55 K58 L60 Y63V23-S25 PolarHBondContact O-N 3.04Å; V23-L26 WeakPolarHBondContact O-CB 3.47Å; V23-L26 PolarHBondContact O-N 3.03Å; V23-K27 WeakPolarHBondContact O-CG 3.44Å; V23-K27 PolarHBondContact O-N 3.45Å; V23-L53 HydrophobicContact CG1-CB 3.77Å; V23-L53 WeakPolarHBondContact CG1-O 3.35Å; V23-L53 HydrophobicContact CG2-CB 3.97Å; V23-D55 WeakPolarHBondContact CB-O 3.31Å; V23-K58 PolarHBondContact N-O 3.43Å; V23-L60 HydrophobicContact CG2-CD2 4.29Å; V23-Y63 HydrophobicContact CG2-CD2 4.18Å; V23-Y63 HydrophobicContact CG2-CE2 3.6Å
24G95.7Very high94.7Very high17 Ų1760.3 Ų60.318%0.17530%0.304CS..Hα-helixtrans-60.3-44.3175.300000112.6T22 L26 K27 M28 D56T22-G24 PolarHBondContact O-N 3.1Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 2.72Å; G24-K27 PolarHBondContact O-N 3.05Å; G24-M28 WeakPolarHBondContact O-CG 3.34Å; G24-M28 PolarHBondContact O-N 3.29Å; G24-D56 PolarHBondContact N-O 3.12Å
25S96.3Very high94.3Very high37 Ų3759.5 Ų59.526%0.25931%0.311SS..Hα-helixtrans-66.4-34.6177.273.10000112.9D21 T22 V23 M28 R29D21-S25 WeakPolarHBondContact CB-OG 3.31Å; T22-S25 PolarHBondContact N-OG 3.22Å; T22-S25 PolarHBondContact O-N 3.39Å; T22-S25 PolarHBondContact O-OG 2.89Å; T22-S25 PolarHBondContact OG1-N 2.74Å; T22-S25 VanDerWaalsContact OG1-N 3.15Å; V23-S25 PolarHBondContact O-N 3.04Å; S25-M28 PolarHBondContact O-N 2.98Å; S25-R29 PolarHBondContact O-N 3.39Å
26L96.4Very high94Very high0 Ų059.6 Ų59.60%031%0.312CS..Hα-helixtrans-63.6-44.1171.8174.558.5000111.1I3 I5 L15 V17 T22 V23 G24 M28 R29 I30 L43 L60I3-L26 HydrophobicContact CD1-CD1 3.93Å; I3-L26 HydrophobicContact CD1-CD2 4.05Å; I5-L26 HydrophobicContact CD1-CD1 4.41Å; L15-L26 HydrophobicContact CD1-CD1 4.11Å; V17-L26 HydrophobicContact CG1-CD1 4.01Å; T22-L26 PolarHBondContact O-N 2.91Å; V23-L26 WeakPolarHBondContact O-CB 3.47Å; V23-L26 PolarHBondContact O-N 3.03Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 2.72Å; L26-M28 VanDerWaalsContact C-N 3.3Å; L26-M28 PolarHBondContact O-N 3.26Å; L26-R29 PolarHBondContact O-N 3.32Å; L26-I30 HydrophobicContact CD1-CD1 4.11Å; L26-I30 HydrophobicContact CD1-CG1 4.27Å; L26-I30 HydrophobicContact CG-CD1 4.05Å; L26-I30 WeakPolarHBondContact O-CG1 3.38Å; L26-I30 PolarHBondContact O-N 2.93Å; L26-L43 HydrophobicContact CD2-CD1 3.94Å; L26-L43 HydrophobicContact CG-CD1 4.11Å; L26-L60 HydrophobicContact CB-CD2 4.24Å; L26-L60 HydrophobicContact CD2-CD1 4.24Å; L26-L60 HydrophobicContact CD2-CD2 3.62Å
27K95.3Very high93.7Very high23 Ų2354.5 Ų54.510%0.130%0.295CS..Hα-helixtrans-60.1-41.6176.1-72.1177.6177.8170.20112V23 G24 R29 I30 Q31 A38 Q41 L43 D56V23-K27 WeakPolarHBondContact O-CG 3.44Å; V23-K27 PolarHBondContact O-N 3.45Å; G24-K27 PolarHBondContact O-N 3.05Å; K27-R29 PolarHBondContact O-N 2.97Å; K27-I30 PolarHBondContact O-N 2.85Å; K27-Q31 PolarHBondContact O-N 3.48Å; K27-A38 HydrophobicContact CB-CB 4.02Å; K27-Q41 PolarHBondContact O-NE2 2.83Å; K27-Q41 PolarHBondContact O-OE1 2.77Å; K27-L43 HydrophobicContact CG-CD1 3.83Å; K27-L43 HydrophobicContact CG-CG 4.5Å; K27-D56 VanDerWaalsContact CE-OD1 3.28Å; K27-D56 WeakPolarHBondContact CE-OD1 3.43Å; K27-D56 IonicContact NZ-OD1 3.11Å; K27-D56 PolarHBondContact NZ-OD1 3.32Å; K27-D56 IonicContact NZ-OD2 3.69Å; K27-D56 PolarHBondContact NZ-OD2 3.11Å
28M94.5Very high93.4Very high92 Ų9255.4 Ų55.445%0.45330%0.303SS..Hα-helixtrans-62.1-41.4175.4-70.7-57.3-61.100112.3G24 S25 L26 Q31 Q32G24-M28 WeakPolarHBondContact O-CG 3.34Å; G24-M28 PolarHBondContact O-N 3.29Å; S25-M28 PolarHBondContact O-N 2.98Å; L26-M28 VanDerWaalsContact C-N 3.3Å; L26-M28 PolarHBondContact O-N 3.26Å; M28-Q31 WeakPolarHBondContact O-CB 3.42Å; M28-Q31 PolarHBondContact O-N 3.02Å; M28-Q32 WeakPolarHBondContact O-CG 3.49Å; M28-Q32 PolarHBondContact O-N 2.83Å
29R94.9Very high92.8Very high94 Ų9453.7 Ų53.736%0.35530%0.3SS..Hα-helixtrans-63-43.9174-73.7175.4-176-113.517.6112.2K16 D21 S25 L26 K27 Q31 Q32 E33K16-R29 PolarHBondContact O-NH1 3.3Å; D21-R29 IonicContact OD2-CZ 2.82Å; D21-R29 IonicContact OD2-NE 2.68Å; D21-R29 IonicContact OD2-NH2 2.85Å; D21-R29 PolarHBondContact OD2-NH2 2.71Å; D21-R29 VanDerWaalsContact OD2-NH2 3.11Å; S25-R29 PolarHBondContact O-N 3.39Å; L26-R29 PolarHBondContact O-N 3.32Å; K27-R29 PolarHBondContact O-N 2.97Å; R29-Q31 PolarHBondContact O-N 3.49Å; R29-Q32 PolarHBondContact O-N 2.85Å; R29-Q32 VanDerWaalsContact O-N 3.17Å; R29-E33 WeakPolarHBondContact O-CB 3.35Å; R29-E33 WeakPolarHBondContact O-CG 3.39Å; R29-E33 PolarHBondContact O-N 3.14Å
30I94Very high92.5Very high0 Ų056.1 Ų56.10%030%0.303CS..Hα-helixtrans-60.1-38.4175.5-71169.7000110.7I5 L15 L26 K27 L34 Q41 L43 L73I5-I30 HydrophobicContact CD1-CD1 4.07Å; I5-I30 HydrophobicContact CG1-CD1 4.19Å; I5-I30 HydrophobicContact CG1-CG1 4.3Å; I5-I30 HydrophobicContact CG2-CD1 4.28Å; L15-I30 HydrophobicContact CD1-CG1 3.65Å; L26-I30 HydrophobicContact CD1-CD1 4.11Å; L26-I30 HydrophobicContact CD1-CG1 4.27Å; L26-I30 HydrophobicContact CG-CD1 4.05Å; L26-I30 WeakPolarHBondContact O-CG1 3.38Å; L26-I30 PolarHBondContact O-N 2.93Å; K27-I30 PolarHBondContact O-N 2.85Å; I30-L34 HydrophobicContact CG2-CB 4.46Å; I30-L34 HydrophobicContact CG2-CD1 3.9Å; I30-L34 HydrophobicContact CG2-CG 4.46Å; I30-L34 WeakPolarHBondContact O-CA 3.49Å; I30-L34 VanDerWaalsContact O-CB 3.25Å; I30-L34 WeakPolarHBondContact O-CB 3.44Å; I30-L34 PolarHBondContact O-N 2.69Å; I30-Q41 HydrophobicContact CG2-CG 4.13Å; I30-L43 HydrophobicContact CD1-CD1 3.95Å; I30-L43 HydrophobicContact CD1-CD2 3.58Å; I30-L43 HydrophobicContact CD1-CG 4.4Å; I30-L73 HydrophobicContact CG2-CD2 3.8Å
31Q92.7Very high92.3Very high73 Ų7350.3 Ų50.334%0.34128%0.276SS..Hα-helixtrans-63.6-42.8175.5177.2173.4-2000112.1K27 M28 R29 G35 V36 A38K27-Q31 PolarHBondContact O-N 3.48Å; M28-Q31 WeakPolarHBondContact O-CB 3.42Å; M28-Q31 PolarHBondContact O-N 3.02Å; R29-Q31 PolarHBondContact O-N 3.49Å; Q31-G35 WeakPolarHBondContact O-CA 3.46Å; Q31-G35 PolarHBondContact O-N 2.82Å; Q31-V36 WeakPolarHBondContact CA-O 3.49Å; Q31-V36 VanDerWaalsContact CB-O 3.26Å; Q31-V36 WeakPolarHBondContact CB-O 3.36Å; Q31-A38 VanDerWaalsContact OE1-N 3.11Å
32Q91Very high92.2Very high152 Ų15255.8 Ų55.871%0.7129%0.294SS*.Hα-helixtrans-66.8-42.8178.8-71.1171.8-1600112.4M28 R29M28-Q32 WeakPolarHBondContact O-CG 3.49Å; M28-Q32 PolarHBondContact O-N 2.83Å; R29-Q32 PolarHBondContact O-N 2.85Å; R29-Q32 VanDerWaalsContact O-N 3.17Å
33E91.3Very high92.1Very high139 Ų13953.5 Ų53.565%0.6528%0.28SS*.Hα-helixtrans-84.9-34.4-173.7-68.5-74.9176.900113.3L15 R29L15-E33 HydrophobicContact CD2-CB 4.2Å; L15-E33 HydrophobicContact CD2-CG 3.89Å; R29-E33 WeakPolarHBondContact O-CB 3.35Å; R29-E33 WeakPolarHBondContact O-CG 3.39Å; R29-E33 PolarHBondContact O-N 3.14Å
34L90.1Very high92Very high41 Ų4154.6 Ų54.622%0.21529%0.287CS..Hα-helixtrans-114.2-4.7-171.6-51.1178.4000113.1I5 M7 R13 I30 V36 L73I5-L34 HydrophobicContact CG2-CD1 4.34Å; M7-L34 HydrophobicContact CE-CD1 3.6Å; M7-L34 HydrophobicContact CE-CD2 3.72Å; M7-L34 HydrophobicContact CE-CG 4.13Å; R13-L34 HydrophobicContact CB-CD2 4.2Å; R13-L34 HydrophobicContact CG-CD2 3.75Å; I30-L34 HydrophobicContact CG2-CB 4.46Å; I30-L34 HydrophobicContact CG2-CD1 3.9Å; I30-L34 HydrophobicContact CG2-CG 4.46Å; I30-L34 WeakPolarHBondContact O-CA 3.49Å; I30-L34 VanDerWaalsContact O-CB 3.25Å; I30-L34 WeakPolarHBondContact O-CB 3.44Å; I30-L34 PolarHBondContact O-N 2.69Å; L34-V36 HydrophobicContact CB-CG2 4.26Å; L34-V36 PolarHBondContact O-N 3.05Å; L34-L73 HydrophobicContact CD1-CD2 4.11Å
35G88Confident92Very high61 Ų6154.2 Ų54.263%0.62928%0.28SS*.  trans67.213.418000000114.3Q31 P37Q31-G35 WeakPolarHBondContact O-CA 3.46Å; Q31-G35 PolarHBondContact O-N 2.82Å; G35-P37 WeakPolarHBondContact O-CD 3.48Å
36V88.2Confident91.6Very high15 Ų1556 Ų569%0.09129%0.29CS..  trans-92115.5179.2-175.50000108.8Q31 L34 R40 Q41 I75Q31-V36 WeakPolarHBondContact CA-O 3.49Å; Q31-V36 VanDerWaalsContact CB-O 3.26Å; Q31-V36 WeakPolarHBondContact CB-O 3.36Å; L34-V36 HydrophobicContact CB-CG2 4.26Å; L34-V36 PolarHBondContact O-N 3.05Å; V36-R40 HydrophobicContact CG1-CB 4.11Å; V36-Q41 HydrophobicContact CB-CG 4.23Å; V36-Q41 HydrophobicContact CG1-CG 3.69Å; V36-Q41 PolarHBondContact O-NE2 2.73Å; V36-I75 HydrophobicContact CG1-CG1 4.19Å; V36-I75 HydrophobicContact CG1-CG2 4.26Å; V36-I75 HydrophobicContact CG2-CD1 3.93Å; V36-I75 HydrophobicContact CG2-CG1 4.38Å
37P87.9Confident91.1Very high50 Ų5061.2 Ų61.233%0.32532%0.318SS..  trans-56.6140.7178.3-25.434.1000112.4G35 A39 R40 Q41G35-P37 WeakPolarHBondContact O-CD 3.48Å; P37-A39 PolarHBondContact O-N 2.85Å; P37-A39 VanDerWaalsContact O-N 3.11Å; P37-R40 HydrophobicContact CB-CG 4.46Å; P37-R40 WeakPolarHBondContact O-CA 3.48Å; P37-R40 WeakPolarHBondContact O-CB 3.23Å; P37-R40 PolarHBondContact O-N 2.8Å; P37-Q41 WeakPolarHBondContact O-CG 3.36Å; P37-Q41 PolarHBondContact O-N 2.72Å
38A88.6Confident90.5Very high25 Ų2564.5 Ų64.521%0.20736%0.358CS..G310 helixtrans-50.4-38.6-179.100000113.6K27 Q31 R40 Q41K27-A38 HydrophobicContact CB-CB 4.02Å; Q31-A38 VanDerWaalsContact OE1-N 3.11Å; A38-R40 PolarHBondContact O-N 2.85Å; A38-Q41 WeakPolarHBondContact O-CB 3.43Å; A38-Q41 PolarHBondContact O-N 3.03Å
39A83.9Confident90.1Very high48 Ų4863.5 Ų63.540%0.39736%0.36SS..G310 helixtrans-64.4-19.8177.300000114.5P37P37-A39 PolarHBondContact O-N 2.85Å; P37-A39 VanDerWaalsContact O-N 3.11Å
40R87.6Confident89.9Confident100 Ų10063.2 Ų63.238%0.37737%0.372SS..G310 helixtrans-97.90177-65-178.162.3-168.7-0112.5V36 P37 A38 I75 T76 P78V36-R40 HydrophobicContact CG1-CB 4.11Å; P37-R40 HydrophobicContact CB-CG 4.46Å; P37-R40 WeakPolarHBondContact O-CA 3.48Å; P37-R40 WeakPolarHBondContact O-CB 3.23Å; P37-R40 PolarHBondContact O-N 2.8Å; A38-R40 PolarHBondContact O-N 2.85Å; R40-I75 HydrophobicContact CB-CG2 4.49Å; R40-I75 CarbonylContact O-C 3.54Å; R40-I75 WeakPolarHBondContact O-CA 3.43Å; R40-T76 WeakPolarHBondContact CB-O 3.2Å; R40-T76 WeakPolarHBondContact CG-O 3.4Å; R40-T76 PolarHBondContact NE-O 3.41Å; R40-T76 PolarHBondContact O-N 3.22Å; R40-P78 HydrophobicContact CG-CG 3.71Å
41Q92Very high89.9Confident9 Ų965.5 Ų65.54%0.04239%0.387CS..EExtended strand (participates in β ladder)trans-97.8118-177.6-60.8174.532.100110.5K27 I30 V36 P37 A38 L73K27-Q41 PolarHBondContact O-NE2 2.83Å; K27-Q41 PolarHBondContact O-OE1 2.77Å; I30-Q41 HydrophobicContact CG2-CG 4.13Å; V36-Q41 HydrophobicContact CB-CG 4.23Å; V36-Q41 HydrophobicContact CG1-CG 3.69Å; V36-Q41 PolarHBondContact O-NE2 2.73Å; P37-Q41 WeakPolarHBondContact O-CG 3.36Å; P37-Q41 PolarHBondContact O-N 2.72Å; A38-Q41 WeakPolarHBondContact O-CB 3.43Å; A38-Q41 PolarHBondContact O-N 3.03Å; Q41-L73 HydrophobicContact CB-CD1 3.73Å; Q41-L73 HydrophobicContact CG-CD1 3.87Å
42R93.2Very high90Very high146 Ų14664.8 Ų64.855%0.55139%0.388SS*.EExtended strand (participates in β ladder)trans-111.5106.4165.8-179.3173-170.5149.11.1109L74 T76R42-L74 HydrophobicContact CB-CB 4.09Å; R42-L74 HydrophobicContact CG-CD1 4.32Å; R42-L74 PolarHBondContact N-O 3.27Å; R42-L74 PolarHBondContact O-N 3.29Å; R42-T76 HydrophobicContact CB-CG2 4.03Å
43L95.4Very high90.1Very high2 Ų257.8 Ų57.81%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-92.3133-178.6-57.6-179.4000110.1L26 K27 I30 L53 V71 S72 L73L26-L43 HydrophobicContact CD2-CD1 3.94Å; L26-L43 HydrophobicContact CG-CD1 4.11Å; K27-L43 HydrophobicContact CG-CD1 3.83Å; K27-L43 HydrophobicContact CG-CG 4.5Å; I30-L43 HydrophobicContact CD1-CD1 3.95Å; I30-L43 HydrophobicContact CD1-CD2 3.58Å; I30-L43 HydrophobicContact CD1-CG 4.4Å; L43-L53 HydrophobicContact CB-CB 4.04Å; L43-L53 HydrophobicContact CB-CD1 4.01Å; L43-L53 HydrophobicContact CB-CG 4.24Å; L43-L53 PolarHBondContact O-N 3.19Å; L43-V71 HydrophobicContact CB-CG1 3.95Å; L43-V71 HydrophobicContact CD2-CG1 4.27Å; L43-S72 WeakPolarHBondContact CA-O 3.18Å; L43-L73 HydrophobicContact CD2-CB 4.13Å; L43-L73 HydrophobicContact CD2-CD1 3.62Å; L43-L73 HydrophobicContact CD2-CG 4.44Å
44V96Very high90.1Very high23 Ų2357 Ų5714%0.13936%0.356CS..EExtended strand (participates in β ladder)trans-131.3122.6176.9-176.70000108.4S72 L74V44-S72 PolarHBondContact N-O 3.11Å; V44-S72 PolarHBondContact O-N 3.27Å; V44-L74 HydrophobicContact CG2-CD1 4.22Å
45F95.7Very high90.2Very high8 Ų857.5 Ų57.54%0.03536%0.359CS..EExtended strand (participates in β ladder)trans-93.2136.8171.4179.8-129.1000109.6N47 T51 L53 Y63 I65 Q70 V71F45-N47 HydrophobicContact CD1-CB 4.45Å; F45-N47 HydrophobicContact CE1-CB 3.68Å; F45-N47 HydrophobicContact CE2-CB 4.47Å; F45-N47 HydrophobicContact CZ-CB 3.69Å; F45-T51 PolarHBondContact N-O 2.84Å; F45-T51 PolarHBondContact O-N 3.35Å; F45-L53 HydrophobicContact CB-CD2 4.15Å; F45-Y63 WeakPolarHBondContact CD1-O 3.43Å; F45-Y63 WeakPolarHBondContact CE1-O 3.46Å; F45-I65 HydrophobicContact CB-CD1 4.33Å; F45-I65 HydrophobicContact CB-CG1 4.34Å; F45-I65 HydrophobicContact CD1-CG1 3.72Å; F45-I65 HydrophobicContact CD2-CG1 4.07Å; F45-I65 HydrophobicContact CE1-CG1 3.95Å; F45-I65 HydrophobicContact CE2-CG1 4.33Å; F45-I65 HydrophobicContact CG-CD1 4.3Å; F45-I65 HydrophobicContact CG-CG1 3.78Å; F45-I65 HydrophobicContact CZ-CG1 4.25Å; F45-Q70 WeakPolarHBondContact CD2-O 3.47Å; F45-V71 HydrophobicContact CB-CG2 4.49Å; F45-V71 HydrophobicContact CD2-CG2 4.12Å
46T87.6Confident90.5Very high74 Ų7458.2 Ų58.245%0.45435%0.348SS..EExtended strand (participates in β ladder)trans-123111.5179.2-530000109.9S49T46-S49 WeakPolarHBondContact CA-O 3.32Å
47N85.3Confident90.9Very high111 Ų11161.7 Ų61.759%0.59437%0.373SS*.SBendtrans-137.973.7174.2-176.615.6000109.3F45 S49F45-N47 HydrophobicContact CD1-CB 4.45Å; F45-N47 HydrophobicContact CE1-CB 3.68Å; F45-N47 HydrophobicContact CE2-CB 4.47Å; F45-N47 HydrophobicContact CZ-CB 3.69Å; N47-S49 PolarHBondContact N-O 2.83Å; N47-S49 VanDerWaalsContact N-O 3.08Å; N47-S49 PolarHBondContact O-N 2.83Å
48G82.5Confident91.3Very high91 Ų9164 Ų6494%0.93838%0.378SS*.SBendtrans74.3-28-170.100000114.4
49S85.8Confident91.7Very high72 Ų7264.5 Ų64.550%0.50338%0.379SS..SBendtrans-126.7153.2168.367.70000110.6T46 N47T46-S49 WeakPolarHBondContact CA-O 3.32Å; N47-S49 PolarHBondContact N-O 2.83Å; N47-S49 VanDerWaalsContact N-O 3.08Å; N47-S49 PolarHBondContact O-N 2.83Å
50S90.4Very high92.3Very high87 Ų8762.2 Ų62.261%0.60836%0.36SS*.EExtended strand (participates in β ladder)trans-93.5109.2176.1-68.80000110
51T94.3Very high92.6Very high49 Ų4959.6 Ų59.630%0.30136%0.357SS..EExtended strand (participates in β ladder)trans-108.1116.4-179.9-52.70000110.2F45 Y63F45-T51 PolarHBondContact N-O 2.84Å; F45-T51 PolarHBondContact O-N 3.35Å; T51-Y63 HydrophobicContact CG2-CD1 3.83Å; T51-Y63 HydrophobicContact CG2-CE1 4.06Å
52P94.5Very high92.7Very high58 Ų5862.3 Ų62.338%0.37738%0.377SS..EExtended strand (participates in β ladder)trans-70.6135172.629.1-32.4000110.6N54P52-N54 PolarHBondContact O-N 2.98Å
53L94.8Very high92.8Very high4 Ų457 Ų572%0.02136%0.357CS..  trans-91.978.1174.6-48.4-178.3000108.7V23 L43 F45 Y63 I65 V71V23-L53 HydrophobicContact CG1-CB 3.77Å; V23-L53 WeakPolarHBondContact CG1-O 3.35Å; V23-L53 HydrophobicContact CG2-CB 3.97Å; L43-L53 HydrophobicContact CB-CB 4.04Å; L43-L53 HydrophobicContact CB-CD1 4.01Å; L43-L53 HydrophobicContact CB-CG 4.24Å; L43-L53 PolarHBondContact O-N 3.19Å; F45-L53 HydrophobicContact CB-CD2 4.15Å; L53-Y63 HydrophobicContact CD2-CD1 3.41Å; L53-Y63 VanDerWaalsContact CD2-CD1 3.41Å; L53-Y63 HydrophobicContact CD2-CD2 3.86Å; L53-Y63 HydrophobicContact CD2-CE1 3.72Å; L53-Y63 HydrophobicContact CD2-CE2 4.14Å; L53-Y63 HydrophobicContact CD2-CG 3.47Å; L53-Y63 VanDerWaalsContact CD2-CG 3.47Å; L53-I65 HydrophobicContact CD1-CD1 3.67Å; L53-I65 HydrophobicContact CD2-CD1 4.07Å; L53-V71 HydrophobicContact CD1-CG1 4.06Å
54N89.8Confident92.7Very high124 Ų12461 Ų6166%0.66339%0.386SS*.  trans-98.4-16-174.362.2-16.6000114.4P52P52-N54 PolarHBondContact O-N 2.98Å
55D92.9Very high92.6Very high51 Ų5160.2 Ų60.227%0.27338%0.38SS..  trans-98.4101.5-179.7-172.7-21000110.3V23 S57 K58V23-D55 WeakPolarHBondContact CB-O 3.31Å; D55-S57 PolarHBondContact O-N 2.87Å; D55-S57 WeakPolarHBondContact OD1-CB 3.36Å; D55-S57 PolarHBondContact OD1-N 3.2Å; D55-S57 PolarHBondContact OD1-OG 2.85Å; D55-K58 HydrophobicContact CB-CB 4.28Å; D55-K58 HydrophobicContact CB-CD 3.92Å; D55-K58 HydrophobicContact CB-CG 4.06Å; D55-K58 PolarHBondContact O-N 3.24Å; D55-K58 WeakPolarHBondContact OD2-CD 3.32Å; D55-K58 WeakPolarHBondContact OD2-CE 3.46Å; D55-K58 WeakPolarHBondContact OD2-CG 3.29Å; D55-K58 IonicContact OD2-NZ 3.84Å
56D94.5Very high92.4Very high76 Ų7660.7 Ų60.741%0.40639%0.388SS..THydrogen-bonded Turntrans-66.9-14.9-176-73.4-13.4000113.8T22 G24 K27T22-D56 VanDerWaalsContact CB-O 3.27Å; T22-D56 WeakPolarHBondContact CB-O 3.31Å; T22-D56 PolarHBondContact OG1-O 3.11Å; G24-D56 PolarHBondContact N-O 3.12Å; K27-D56 VanDerWaalsContact CE-OD1 3.28Å; K27-D56 WeakPolarHBondContact CE-OD1 3.43Å; K27-D56 IonicContact NZ-OD1 3.11Å; K27-D56 PolarHBondContact NZ-OD1 3.32Å; K27-D56 IonicContact NZ-OD2 3.69Å; K27-D56 PolarHBondContact NZ-OD2 3.11Å
57S95.4Very high92.8Very high87 Ų8762.2 Ų62.261%0.60840%0.399SS*.THydrogen-bonded Turntrans-86.3-21178.175.70000113.2T22 D55T22-S57 WeakPolarHBondContact CG2-O 3.4Å; D55-S57 PolarHBondContact O-N 2.87Å; D55-S57 WeakPolarHBondContact OD1-CB 3.36Å; D55-S57 PolarHBondContact OD1-N 3.2Å; D55-S57 PolarHBondContact OD1-OG 2.85Å
58K96.7Very high93.2Very high98 Ų9859 Ų5943%0.42639%0.393SS..SBendtrans-78.3140.7-174.7-80.1-177.4-178.1175.20112.4T22 V23 D55 Y63T22-K58 CarbonylContact C-O 3.55Å; T22-K58 VanDerWaalsContact CA-O 3.27Å; T22-K58 WeakPolarHBondContact CA-O 3.34Å; V23-K58 PolarHBondContact N-O 3.43Å; D55-K58 HydrophobicContact CB-CB 4.28Å; D55-K58 HydrophobicContact CB-CD 3.92Å; D55-K58 HydrophobicContact CB-CG 4.06Å; D55-K58 PolarHBondContact O-N 3.24Å; D55-K58 WeakPolarHBondContact OD2-CD 3.32Å; D55-K58 WeakPolarHBondContact OD2-CE 3.46Å; D55-K58 WeakPolarHBondContact OD2-CG 3.29Å; D55-K58 IonicContact OD2-NZ 3.84Å; K58-Y63 HydrophobicContact CB-CE2 3.65Å; K58-Y63 HydrophobicContact CD-CE2 4.29Å
59P97.3Very high93.8Very high37 Ų3755.7 Ų55.724%0.2436%0.355CS..BIsolated β-bridgetrans-72.9149.5175.930.5-34000111.2D21 S61 S62D21-P59 CarbonylContact O-C 3.56Å; D21-P59 WeakPolarHBondContact O-CA 3.37Å; P59-S61 PolarHBondContact O-N 2.95Å; P59-S62 WeakPolarHBondContact O-CB 3.23Å; P59-S62 PolarHBondContact O-N 2.74Å; P59-S62 PolarHBondContact O-OG 2.98Å
60L95.9Very high94.2Very high0 Ų056.4 Ų56.40%035%0.35CS..G310 helixtrans-56.5-37178-64.4-178.9000112.4V17 D21 V23 L26 S62 Y63 I65V17-L60 HydrophobicContact CB-CD1 3.97Å; V17-L60 HydrophobicContact CG1-CD1 4.33Å; V17-L60 HydrophobicContact CG2-CD1 3.84Å; D21-L60 HydrophobicContact CB-CD1 4.25Å; D21-L60 WeakPolarHBondContact O-CG 3.37Å; D21-L60 PolarHBondContact O-N 3.15Å; V23-L60 HydrophobicContact CG2-CD2 4.29Å; L26-L60 HydrophobicContact CB-CD2 4.24Å; L26-L60 HydrophobicContact CD2-CD1 4.24Å; L26-L60 HydrophobicContact CD2-CD2 3.62Å; L60-S62 PolarHBondContact O-N 2.82Å; L60-Y63 PolarHBondContact O-N 2.87Å; L60-Y63 VanDerWaalsContact O-N 3.08Å; L60-I65 HydrophobicContact CB-CB 4.25Å; L60-I65 HydrophobicContact CB-CD1 4.38Å; L60-I65 HydrophobicContact CD2-CD1 3.94Å; L60-I65 WeakPolarHBondContact O-CB 3.31Å; L60-I65 PolarHBondContact O-N 2.85Å
61S94.7Very high94.4Very high45 Ų4552.2 Ų52.232%0.31532%0.321SS..G310 helixtrans-59-31.117651.50000113.7P19 P59 Y63 S64P19-S61 WeakPolarHBondContact O-CB 3.5Å; P19-S61 PolarHBondContact O-N 2.79Å; P19-S61 PolarHBondContact O-OG 2.77Å; P59-S61 PolarHBondContact O-N 2.95Å; S61-Y63 PolarHBondContact O-N 3.17Å; S61-S64 PolarHBondContact O-N 3.36Å
62S94.8Very high94.5Very high65 Ų6551.6 Ų51.646%0.45532%0.318SS..G310 helixtrans-65.9-22.717771.70000113.3P59 L60 S64P59-S62 WeakPolarHBondContact O-CB 3.23Å; P59-S62 PolarHBondContact O-N 2.74Å; P59-S62 PolarHBondContact O-OG 2.98Å; L60-S62 PolarHBondContact O-N 2.82Å; S62-S64 VanDerWaalsContact C-N 3.31Å
63Y93.7Very high94.5Very high34 Ų3449 Ų4913%0.13330%0.301CS..G310 helixtrans-92.17.7174.7-65.7-83.9000112.6V23 F45 T51 L53 K58 L60 S61 I65V23-Y63 HydrophobicContact CG2-CD2 4.18Å; V23-Y63 HydrophobicContact CG2-CE2 3.6Å; F45-Y63 WeakPolarHBondContact CD1-O 3.43Å; F45-Y63 WeakPolarHBondContact CE1-O 3.46Å; T51-Y63 HydrophobicContact CG2-CD1 3.83Å; T51-Y63 HydrophobicContact CG2-CE1 4.06Å; L53-Y63 HydrophobicContact CD2-CD1 3.41Å; L53-Y63 VanDerWaalsContact CD2-CD1 3.41Å; L53-Y63 HydrophobicContact CD2-CD2 3.86Å; L53-Y63 HydrophobicContact CD2-CE1 3.72Å; L53-Y63 HydrophobicContact CD2-CE2 4.14Å; L53-Y63 HydrophobicContact CD2-CG 3.47Å; L53-Y63 VanDerWaalsContact CD2-CG 3.47Å; K58-Y63 HydrophobicContact CB-CE2 3.65Å; K58-Y63 HydrophobicContact CD-CE2 4.29Å; L60-Y63 PolarHBondContact O-N 2.87Å; L60-Y63 VanDerWaalsContact O-N 3.08Å; S61-Y63 PolarHBondContact O-N 3.17Å; Y63-I65 PolarHBondContact O-N 3.02Å
64S93.6Very high94.4Very high87 Ų8751.5 Ų51.561%0.60831%0.314SS*.THydrogen-bonded Turntrans57.828.5-173-52.40000113.3S61 S62 G66S61-S64 PolarHBondContact O-N 3.36Å; S62-S64 VanDerWaalsContact C-N 3.31Å; S64-G66 PolarHBondContact O-N 3.24Å
65I94.4Very high94.3Very high6 Ų649.4 Ų49.43%0.03130%0.303CS..  trans-76118.6172.8-62.7169.5000107.3M1 I3 F45 L53 L60 Y63 V71M1-I65 HydrophobicContact CE-CG2 4.3Å; M1-I65 VanDerWaalsContact CE-O 3.28Å; M1-I65 WeakPolarHBondContact CE-O 3.25Å; I3-I65 HydrophobicContact CG2-CG2 3.93Å; F45-I65 HydrophobicContact CB-CD1 4.33Å; F45-I65 HydrophobicContact CB-CG1 4.34Å; F45-I65 HydrophobicContact CD1-CG1 3.72Å; F45-I65 HydrophobicContact CD2-CG1 4.07Å; F45-I65 HydrophobicContact CE1-CG1 3.95Å; F45-I65 HydrophobicContact CE2-CG1 4.33Å; F45-I65 HydrophobicContact CG-CD1 4.3Å; F45-I65 HydrophobicContact CG-CG1 3.78Å; F45-I65 HydrophobicContact CZ-CG1 4.25Å; L53-I65 HydrophobicContact CD1-CD1 3.67Å; L53-I65 HydrophobicContact CD2-CD1 4.07Å; L60-I65 HydrophobicContact CB-CB 4.25Å; L60-I65 HydrophobicContact CB-CD1 4.38Å; L60-I65 HydrophobicContact CD2-CD1 3.94Å; L60-I65 WeakPolarHBondContact O-CB 3.31Å; L60-I65 PolarHBondContact O-N 2.85Å; Y63-I65 PolarHBondContact O-N 3.02Å; I65-V71 HydrophobicContact CD1-CG2 4.27Å
66G92.5Very high93.9Very high19 Ų1949.3 Ų49.320%0.19630%0.304CS..  trans-122.6-175-17800000113.1M1 S64 G68 S69M1-G66 VanDerWaalsContact SD-C 3.53Å; S64-G66 PolarHBondContact O-N 3.24Å; G66-G68 PolarHBondContact O-N 3.09Å; G66-S69 PolarHBondContact N-OG 2.83Å; G66-S69 WeakPolarHBondContact O-CB 3.42Å; G66-S69 PolarHBondContact O-N 3.02Å; G66-S69 VanDerWaalsContact O-N 3.11Å; G66-S69 PolarHBondContact O-OG 2.98Å
67P94.9Very high93.1Very high106 Ų10654.1 Ų54.169%0.68832%0.324SS*.THydrogen-bonded Turntrans-55.3134.8174.1-20.230.8000111.7M1 D2 S69M1-P67 HydrophobicContact CB-CB 4.15Å; M1-P67 HydrophobicContact CB-CG 3.87Å; M1-P67 HydrophobicContact SD-CG 4.25Å; D2-P67 CarbonylContact O-C 3.59Å; P67-S69 PolarHBondContact O-N 2.91Å
68G93.2Very high91.9Very high44 Ų4451.9 Ų51.945%0.45431%0.308SS..THydrogen-bonded Turntrans73.81-179.100000114.9D2 H4 G66D2-G68 PolarHBondContact O-N 3.5Å; H4-G68 PolarHBondContact CD2-O 3.04Å; G66-G68 PolarHBondContact O-N 3.09Å
69S94.9Very high90.9Very high21 Ų2151.8 Ų51.815%0.14732%0.319CS..  trans-61.4141.1177.2-74.30000111.7H4 G66 P67H4-S69 PolarHBondContact N-O 3.2Å; G66-S69 PolarHBondContact N-OG 2.83Å; G66-S69 WeakPolarHBondContact O-CB 3.42Å; G66-S69 PolarHBondContact O-N 3.02Å; G66-S69 VanDerWaalsContact O-N 3.11Å; G66-S69 PolarHBondContact O-OG 2.98Å; P67-S69 PolarHBondContact O-N 2.91Å
70Q94Very high90.4Very high86 Ų8653.4 Ų53.440%0.40233%0.328SS..EExtended strand (participates in β ladder)trans-103.9120.5178.3-165-173.5-73.900110.8H4 K6 F45H4-Q70 HydrophobicContact CB-CG 4.34Å; H4-Q70 CarbonylContact O-C 3.54Å; H4-Q70 VanDerWaalsContact O-CA 3.32Å; H4-Q70 WeakPolarHBondContact O-CA 3.28Å; K6-Q70 HydrophobicContact CB-CG 3.99Å; F45-Q70 WeakPolarHBondContact CD2-O 3.47Å
71V96.1Very high90.3Very high0 Ų055.2 Ų55.20%034%0.336CS..EExtended strand (participates in β ladder)trans-109124.6174.8179.30000108.3H4 I5 K6 L43 F45 L53 I65H4-V71 PolarHBondContact O-N 2.83Å; I5-V71 CarbonylContact C-O 3.57Å; I5-V71 WeakPolarHBondContact CA-O 3.26Å; I5-V71 HydrophobicContact CD1-CB 3.91Å; I5-V71 HydrophobicContact CD1-CG1 4.41Å; K6-V71 PolarHBondContact N-O 2.86Å; L43-V71 HydrophobicContact CB-CG1 3.95Å; L43-V71 HydrophobicContact CD2-CG1 4.27Å; F45-V71 HydrophobicContact CB-CG2 4.49Å; F45-V71 HydrophobicContact CD2-CG2 4.12Å; L53-V71 HydrophobicContact CD1-CG1 4.06Å; I65-V71 HydrophobicContact CD1-CG2 4.27Å
72S95.8Very high90.4Very high35 Ų3557 Ų5725%0.24534%0.339CS..EExtended strand (participates in β ladder)trans-81.5130.2175.7-58.10000110.1K6 L43 V44K6-S72 CarbonylContact O-C 3.53Å; K6-S72 WeakPolarHBondContact O-CA 3.44Å; L43-S72 WeakPolarHBondContact CA-O 3.18Å; V44-S72 PolarHBondContact N-O 3.11Å; V44-S72 PolarHBondContact O-N 3.27Å
73L95Very high90.5Very high3 Ų353.9 Ų53.92%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-103.2113.4173.6171.462.2000109.6I5 K6 I30 L34 Q41 L43 I75I5-L73 HydrophobicContact CG2-CB 3.73Å; I5-L73 HydrophobicContact CG2-CD2 4.16Å; K6-L73 PolarHBondContact O-N 3.4Å; I30-L73 HydrophobicContact CG2-CD2 3.8Å; L34-L73 HydrophobicContact CD1-CD2 4.11Å; Q41-L73 HydrophobicContact CB-CD1 3.73Å; Q41-L73 HydrophobicContact CG-CD1 3.87Å; L43-L73 HydrophobicContact CD2-CB 4.13Å; L43-L73 HydrophobicContact CD2-CD1 3.62Å; L43-L73 HydrophobicContact CD2-CG 4.44Å; L73-I75 HydrophobicContact CG-CG1 4.47Å
74L91.6Very high90.7Very high57 Ų5755 Ų5530%0.29832%0.323SS..EExtended strand (participates in β ladder)trans-95.9124.5168-55.8171.8000108.1L8 R42 V44L8-L74 HydrophobicContact CD1-CD2 3.85Å; L8-L74 HydrophobicContact CD2-CD2 3.41Å; L8-L74 VanDerWaalsContact CD2-CD2 3.41Å; L8-L74 HydrophobicContact CG-CD2 3.73Å; R42-L74 HydrophobicContact CB-CB 4.09Å; R42-L74 HydrophobicContact CG-CD1 4.32Å; R42-L74 PolarHBondContact N-O 3.27Å; R42-L74 PolarHBondContact O-N 3.29Å; V44-L74 HydrophobicContact CG2-CD1 4.22Å
75I88.8Confident91Very high81 Ų8150.9 Ų50.942%0.41530%0.295SS..EExtended strand (participates in β ladder)trans-88.3113.5174.5-56.7176.8000107.8V36 R40 L73V36-I75 HydrophobicContact CG1-CG1 4.19Å; V36-I75 HydrophobicContact CG1-CG2 4.26Å; V36-I75 HydrophobicContact CG2-CD1 3.93Å; V36-I75 HydrophobicContact CG2-CG1 4.38Å; R40-I75 HydrophobicContact CB-CG2 4.49Å; R40-I75 CarbonylContact O-C 3.54Å; R40-I75 WeakPolarHBondContact O-CA 3.43Å; L73-I75 HydrophobicContact CG-CG1 4.47Å
76T83.8Confident91.1Very high49 Ų4954.2 Ų54.230%0.30131%0.309SS..PPolyproline II helixtrans-101.2160.3177.7610000111R40 R42R40-T76 WeakPolarHBondContact CB-O 3.2Å; R40-T76 WeakPolarHBondContact CG-O 3.4Å; R40-T76 PolarHBondContact NE-O 3.41Å; R40-T76 PolarHBondContact O-N 3.22Å; R42-T76 HydrophobicContact CB-CG2 4.03Å
77Q77Confident91.3Very high176 Ų17654.7 Ų54.782%0.82231%0.307SS*.PPolyproline II helixtrans-68.7138.5157.3-107.9149.4-2000108S79Q77-S79 PolarHBondContact O-N 3.06Å
78P70.8Confident91.1Very high41 Ų4155.2 Ų55.227%0.26630%0.3SS..PPolyproline II helixtrans-57.8137.7171.9-4.916.5000108R40 T80R40-P78 HydrophobicContact CG-CG 3.71Å; P78-T80 VanDerWaalsContact C-N 3.33Å; P78-T80 HydrophobicContact CB-CG2 4.48Å; P78-T80 PolarHBondContact O-N 3.21Å
79S76.4Confident91.1Very high95 Ų9562 Ų6266%0.66432%0.317SS*.  trans-65.498.1167.753.20000107.6Q77 P99Q77-S79 PolarHBondContact O-N 3.06Å; S79-P99 WeakPolarHBondContact O-CD 3.42Å
80T86.9Confident91Very high72 Ų7262.8 Ų62.844%0.44233%0.329SS..  trans-89.2151.2173.454.50000109.8P78 D96 V97P78-T80 VanDerWaalsContact C-N 3.33Å; P78-T80 HydrophobicContact CB-CG2 4.48Å; P78-T80 PolarHBondContact O-N 3.21Å; T80-D96 HydrophobicContact CG2-CB 4.29Å; T80-V97 CarbonylContact C-O 3.6Å; T80-V97 VanDerWaalsContact CA-O 3.24Å; T80-V97 WeakPolarHBondContact CA-O 3.49Å
81F93Very high91Very high37 Ų3762.3 Ų62.316%0.16233%0.332CS..EExtended strand (participates in β ladder)trans-119.4154.6168.362.1-88.8000109.4V83 V97 V140 R141 E142F81-V83 HydrophobicContact CD2-CG1 3.76Å; F81-V83 HydrophobicContact CE2-CG1 3.43Å; F81-V83 VanDerWaalsContact CE2-CG1 3.43Å; F81-V97 VanDerWaalsContact CD1-O 3.3Å; F81-V97 WeakPolarHBondContact CD1-O 3.33Å; F81-V97 HydrophobicContact CE1-CB 4.35Å; F81-V97 HydrophobicContact CE1-CG1 3.98Å; F81-V97 HydrophobicContact CE2-CB 4.14Å; F81-V97 HydrophobicContact CE2-CG1 4.14Å; F81-V97 HydrophobicContact CZ-CB 4.05Å; F81-V97 HydrophobicContact CZ-CG1 3.61Å; F81-V97 PolarHBondContact N-O 3.17Å; F81-V97 PolarHBondContact O-N 2.77Å; F81-V140 HydrophobicContact CE2-CG1 4.28Å; F81-R141 VanDerWaalsContact CE2-C 3.5Å; F81-R141 WeakPolarHBondContact CE2-O 3.42Å; F81-E142 HydrophobicContact CB-CB 4.01Å; F81-E142 HydrophobicContact CB-CG 4.06Å; F81-E142 HydrophobicContact CD2-CB 4.32Å; F81-E142 HydrophobicContact CG-CB 4.47Å
82Q96.2Very high91Very high82 Ų8266.8 Ų66.838%0.38336%0.356SS..EExtended strand (participates in β ladder)trans-85.6140.6-179.3-71-174-11.900111.2T94 Y95 D96 H143Q82-T94 HydrophobicContact CB-CG2 4.06Å; Q82-T94 HydrophobicContact CG-CG2 4.06Å; Q82-Y95 CarbonylContact C-O 3.53Å; Q82-Y95 WeakPolarHBondContact CA-O 3.35Å; Q82-D96 WeakPolarHBondContact CG-OD1 3.39Å; Q82-H143 WeakPolarHBondContact O-CA 3.4Å; Q82-H143 PolarHBondContact O-N 3.38Å
83V98.1Very high91Very high0 Ų065.9 Ų65.90%035%0.35CS..EExtended strand (participates in β ladder)trans-129158.2166.3-56.70000109.6F81 T94 Y95 V97 F106 V140 I146F81-V83 HydrophobicContact CD2-CG1 3.76Å; F81-V83 HydrophobicContact CE2-CG1 3.43Å; F81-V83 VanDerWaalsContact CE2-CG1 3.43Å; V83-T94 CarbonylContact O-C 3.57Å; V83-T94 WeakPolarHBondContact O-CA 3.45Å; V83-Y95 PolarHBondContact N-O 3.43Å; V83-Y95 PolarHBondContact O-N 3.31Å; V83-V97 HydrophobicContact CG1-CB 4.46Å; V83-V97 HydrophobicContact CG1-CG2 4.24Å; V83-V97 HydrophobicContact CG2-CG2 3.52Å; V83-F106 HydrophobicContact CG2-CE2 4.17Å; V83-F106 HydrophobicContact CG2-CZ 4.25Å; V83-V140 HydrophobicContact CG1-CG1 3.69Å; V83-I146 HydrophobicContact CG2-CD1 4.22Å
84F98.4Very high91.2Very high57 Ų5768.4 Ų68.425%0.2537%0.365CS..EExtended strand (participates in β ladder)trans-104.8135.5174.1-52.2-65.2000110T94 H143 S144 T145 I146F84-T94 HydrophobicContact CD1-CG2 4.43Å; F84-T94 HydrophobicContact CE1-CG2 4.27Å; F84-H143 WeakPolarHBondContact CD2-O 3.46Å; F84-H143 HydrophobicContact CE2-CB 3.94Å; F84-S144 PolarHBondContact N-O 3.28Å; F84-T145 HydrophobicContact CB-CG2 4.46Å; F84-T145 CarbonylContact O-C 3.55Å; F84-T145 WeakPolarHBondContact O-CA 3.42Å; F84-I146 PolarHBondContact O-N 3.2Å
85L98.3Very high91.4Very high1 Ų166.1 Ų66.11%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-105.7118.9167.2-172.180.7000108.4N92 S93 Y95 F106 V110 E114 L123 I146 L148L85-N92 CarbonylContact O-C 3.56Å; L85-N92 VanDerWaalsContact O-CA 3.32Å; L85-N92 WeakPolarHBondContact O-CA 3.24Å; L85-S93 PolarHBondContact N-O 2.86Å; L85-S93 PolarHBondContact O-N 2.96Å; L85-Y95 HydrophobicContact CB-CD2 3.92Å; L85-Y95 HydrophobicContact CB-CE2 3.55Å; L85-Y95 HydrophobicContact CD2-CE2 3.82Å; L85-Y95 HydrophobicContact CG-CE2 4.32Å; L85-F106 HydrophobicContact CD1-CE1 4.09Å; L85-F106 HydrophobicContact CD1-CZ 4.31Å; L85-V110 HydrophobicContact CD1-CG2 4.32Å; L85-V110 HydrophobicContact CD2-CB 4.42Å; L85-V110 HydrophobicContact CD2-CG1 3.75Å; L85-V110 HydrophobicContact CD2-CG2 3.83Å; L85-E114 HydrophobicContact CD2-CG 3.84Å; L85-L123 HydrophobicContact CD1-CD2 3.97Å; L85-I146 CarbonylContact C-O 3.55Å; L85-I146 VanDerWaalsContact CA-O 3.31Å; L85-I146 WeakPolarHBondContact CA-O 3.4Å; L85-I146 HydrophobicContact CD1-CB 4.06Å; L85-I146 HydrophobicContact CD1-CG2 3.79Å; L85-L148 HydrophobicContact CD1-CB 4.09Å; L85-L148 HydrophobicContact CD2-CB 4.32Å; L85-L148 HydrophobicContact CD2-CD2 4.2Å; L85-L148 HydrophobicContact CG-CB 4.19Å
86K98.2Very high91.7Very high76 Ų7666.1 Ų66.133%0.3335%0.353SS..EExtended strand (participates in β ladder)trans-101.1119.3174.4-170.4167.6-177.9178.50110.2T91 N92 T145 I146 F147 L148K86-T91 WeakPolarHBondContact CA-O 3.36Å; K86-N92 WeakPolarHBondContact CB-OD1 3.35Å; K86-N92 WeakPolarHBondContact CG-OD1 3.34Å; K86-T145 HydrophobicContact CB-CG2 3.98Å; K86-I146 PolarHBondContact N-O 2.86Å; K86-F147 HydrophobicContact CB-CD1 4.13Å; K86-F147 HydrophobicContact CB-CE1 4.39Å; K86-F147 HydrophobicContact CD-CD1 4.33Å; K86-F147 HydrophobicContact CD-CE1 3.93Å; K86-F147 HydrophobicContact CG-CD1 4.47Å; K86-F147 WeakPolarHBondContact O-CA 3.46Å; K86-L148 PolarHBondContact O-N 3.01Å
87N95Very high92.1Very high29 Ų2963.8 Ų63.816%0.15534%0.339CS..  trans-85.8175.817870.119.4000112.5K89 G90 T91N87-K89 PolarHBondContact O-N 3.04Å; N87-K89 VanDerWaalsContact O-N 3.15Å; N87-K89 WeakPolarHBondContact OD1-CA 3.46Å; N87-K89 WeakPolarHBondContact OD1-CB 3.38Å; N87-K89 PolarHBondContact OD1-N 3.06Å; N87-G90 WeakPolarHBondContact O-CA 3.34Å; N87-G90 PolarHBondContact O-N 2.83Å; N87-G90 PolarHBondContact OD1-N 2.64Å; N87-T91 PolarHBondContact N-O 3.33Å; N87-T91 PolarHBondContact OD1-N 3.42Å
88E91.8Very high92.8Very high117 Ų11756 Ų5655%0.54731%0.305SS..THydrogen-bonded Turntrans-61.6-21.2179.8-60.5-172.6147.800113.9L148 T149 L150E88-L148 PolarHBondContact N-O 2.65Å; E88-T149 WeakPolarHBondContact OE1-CA 3.11Å; E88-L150 PolarHBondContact OE1-N 3.08Å; E88-L150 WeakPolarHBondContact OE2-CD1 3.45Å; E88-L150 WeakPolarHBondContact OE2-CG 3.36Å
89K92.2Very high93.5Very high187 Ų18757.4 Ų57.481%0.81331%0.314SS*.THydrogen-bonded Turntrans-83.8-2.4175.2-55.6178.8-176.21750112.4N87 T91N87-K89 PolarHBondContact O-N 3.04Å; N87-K89 VanDerWaalsContact O-N 3.15Å; N87-K89 WeakPolarHBondContact OD1-CA 3.46Å; N87-K89 WeakPolarHBondContact OD1-CB 3.38Å; N87-K89 PolarHBondContact OD1-N 3.06Å; K89-T91 VanDerWaalsContact C-N 3.3Å
90G92.9Very high94Very high37 Ų3756.5 Ų56.538%0.38130%0.301SS..SBendtrans79.37.1-176.800000114.7N87N87-G90 WeakPolarHBondContact O-CA 3.34Å; N87-G90 PolarHBondContact O-N 2.83Å; N87-G90 PolarHBondContact OD1-N 2.64Å
91T94.9Very high94.3Very high77 Ų7754.7 Ų54.747%0.47229%0.288SS..  trans-77.6136.9176.9-48.90000110.4K86 N87 K89K86-T91 WeakPolarHBondContact CA-O 3.36Å; N87-T91 PolarHBondContact N-O 3.33Å; N87-T91 PolarHBondContact OD1-N 3.42Å; K89-T91 VanDerWaalsContact C-N 3.3Å
92N95.7Very high94.4Very high93 Ų9355 Ų5550%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-99.1129.9175.6-69.3-24.1000111L85 K86L85-N92 CarbonylContact O-C 3.56Å; L85-N92 VanDerWaalsContact O-CA 3.32Å; L85-N92 WeakPolarHBondContact O-CA 3.24Å; K86-N92 WeakPolarHBondContact CB-OD1 3.35Å; K86-N92 WeakPolarHBondContact CG-OD1 3.34Å
93S97Very high94.5Very high17 Ų1751.1 Ų51.112%0.11928%0.275CS..EExtended strand (participates in β ladder)trans-113130.5169.4-72.40000109.5L85 Y95 E114L85-S93 PolarHBondContact N-O 2.86Å; L85-S93 PolarHBondContact O-N 2.96Å; S93-Y95 WeakPolarHBondContact O-CD2 3.24Å; S93-E114 WeakPolarHBondContact CB-OE1 3.33Å; S93-E114 PolarHBondContact OG-OE1 3.4Å
94T97.6Very high94.4Very high55 Ų5556.8 Ų56.834%0.33730%0.302SS..EExtended strand (participates in β ladder)trans-87.7133.9177.6-51.10000111.5Q82 V83 F84 R113Q82-T94 HydrophobicContact CB-CG2 4.06Å; Q82-T94 HydrophobicContact CG-CG2 4.06Å; V83-T94 CarbonylContact O-C 3.57Å; V83-T94 WeakPolarHBondContact O-CA 3.45Å; F84-T94 HydrophobicContact CD1-CG2 4.43Å; F84-T94 HydrophobicContact CE1-CG2 4.27Å; T94-R113 PolarHBondContact O-NH1 3Å
95Y97.1Very high94.3Very high9 Ų957.3 Ų57.34%0.03531%0.307CS..EExtended strand (participates in β ladder)trans-125.3133.8176.4-69.7-102.8000110.9Q82 V83 L85 S93 F106 R109 V110 R113 E114Q82-Y95 CarbonylContact C-O 3.53Å; Q82-Y95 WeakPolarHBondContact CA-O 3.35Å; V83-Y95 PolarHBondContact N-O 3.43Å; V83-Y95 PolarHBondContact O-N 3.31Å; L85-Y95 HydrophobicContact CB-CD2 3.92Å; L85-Y95 HydrophobicContact CB-CE2 3.55Å; L85-Y95 HydrophobicContact CD2-CE2 3.82Å; L85-Y95 HydrophobicContact CG-CE2 4.32Å; S93-Y95 WeakPolarHBondContact O-CD2 3.24Å; Y95-F106 AromaticContact CD1-CE2 3.94Å; Y95-F106 HydrophobicContact CD1-CE2 3.94Å; Y95-F106 HydrophobicContact CD2-CE2 4.37Å; Y95-F106 HydrophobicContact CD2-CZ 4.3Å; Y95-F106 AromaticContact CG-CE2 3.79Å; Y95-F106 HydrophobicContact CG-CE2 3.79Å; Y95-F106 HydrophobicContact CG-CZ 4.19Å; Y95-R109 HydrophobicContact CE1-CB 4.4Å; Y95-V110 HydrophobicContact CE1-CG2 4.28Å; Y95-R113 WeakPolarHBondContact OH-CD 3.34Å; Y95-E114 PolarHBondContact OH-OE1 3.08Å
96D93.7Very high94.2Very high82 Ų8257.3 Ų57.344%0.43931%0.307SS..EExtended strand (participates in β ladder)trans-80.3124.1165.1-63.4-59.5000109.3T80 Q82 R109T80-D96 HydrophobicContact CG2-CB 4.29Å; Q82-D96 WeakPolarHBondContact CG-OD1 3.39Å; D96-R109 PolarHBondContact O-NH1 3.11Å; D96-R109 PolarHBondContact O-NH2 2.82Å
97V93.3Very high94.2Very high0 Ų054.6 Ų54.60%030%0.295CS..EExtended strand (participates in β ladder)trans-121.5135.2-174.3170.70000109.4T80 F81 V83 E101 F106 L135T80-V97 CarbonylContact C-O 3.6Å; T80-V97 VanDerWaalsContact CA-O 3.24Å; T80-V97 WeakPolarHBondContact CA-O 3.49Å; F81-V97 VanDerWaalsContact CD1-O 3.3Å; F81-V97 WeakPolarHBondContact CD1-O 3.33Å; F81-V97 HydrophobicContact CE1-CB 4.35Å; F81-V97 HydrophobicContact CE1-CG1 3.98Å; F81-V97 HydrophobicContact CE2-CB 4.14Å; F81-V97 HydrophobicContact CE2-CG1 4.14Å; F81-V97 HydrophobicContact CZ-CB 4.05Å; F81-V97 HydrophobicContact CZ-CG1 3.61Å; F81-V97 PolarHBondContact N-O 3.17Å; F81-V97 PolarHBondContact O-N 2.77Å; V83-V97 HydrophobicContact CG1-CB 4.46Å; V83-V97 HydrophobicContact CG1-CG2 4.24Å; V83-V97 HydrophobicContact CG2-CG2 3.52Å; V97-E101 HydrophobicContact CG1-CB 3.79Å; V97-E101 HydrophobicContact CG1-CG 4.26Å; V97-F106 HydrophobicContact CG2-CD2 4.03Å; V97-F106 HydrophobicContact CG2-CE2 3.88Å; V97-L135 HydrophobicContact CB-CD1 4.48Å; V97-L135 HydrophobicContact CG1-CD1 3.46Å; V97-L135 VanDerWaalsContact CG1-CD1 3.46Å; V97-L135 HydrophobicContact CG2-CD1 4.14Å
98A90.4Very high94.2Very high13 Ų1358.1 Ų58.111%0.10731%0.309CS..  trans-78.9149.1171.200000110.8D100 E101A98-D100 WeakPolarHBondContact CB-OD1 3.35Å; A98-D100 PolarHBondContact O-N 3.48Å; A98-D100 VanDerWaalsContact O-N 3.09Å; A98-E101 HydrophobicContact CB-CB 4.34Å; A98-E101 VanDerWaalsContact O-CB 3.24Å; A98-E101 WeakPolarHBondContact O-CB 3.34Å; A98-E101 PolarHBondContact O-N 3.07Å
99P87.1Confident94.4Very high69 Ų6956.5 Ų56.545%0.44830%0.297SS..THydrogen-bonded Turntrans-55.1-27.8177.9-2835.8000114.9S79S79-P99 WeakPolarHBondContact O-CD 3.42Å
100D87.3Confident94.6Very high76 Ų7647.6 Ų47.641%0.40626%0.259SS..THydrogen-bonded Turntrans-104.46.6-179.361.8-27.1000113.8A98 T102A98-D100 WeakPolarHBondContact CB-OD1 3.35Å; A98-D100 PolarHBondContact O-N 3.48Å; A98-D100 VanDerWaalsContact O-N 3.09Å; D100-T102 PolarHBondContact O-N 3.22Å
101E92.3Very high94.8Very high34 Ų3449.6 Ų49.616%0.15926%0.258CS..  trans-57.3129.2179.6-174.894.6169.400110.9V97 A98 F106 R109 K134 L135V97-E101 HydrophobicContact CG1-CB 3.79Å; V97-E101 HydrophobicContact CG1-CG 4.26Å; A98-E101 HydrophobicContact CB-CB 4.34Å; A98-E101 VanDerWaalsContact O-CB 3.24Å; A98-E101 WeakPolarHBondContact O-CB 3.34Å; A98-E101 PolarHBondContact O-N 3.07Å; E101-F106 HydrophobicContact CG-CB 4.31Å; E101-R109 VanDerWaalsContact CD-NH2 3.31Å; E101-R109 IonicContact OE1-CZ 3.14Å; E101-R109 IonicContact OE1-NE 3.71Å; E101-R109 PolarHBondContact OE1-NE 3.05Å; E101-R109 IonicContact OE1-NH2 3.2Å; E101-R109 PolarHBondContact OE1-NH2 2.86Å; E101-R109 IonicContact OE2-NH2 3.4Å; E101-K134 WeakPolarHBondContact O-CA 3.44Å; E101-L135 HydrophobicContact CB-CD1 4.13Å; E101-L135 HydrophobicContact CG-CD1 3.95Å; E101-L135 PolarHBondContact O-N 2.84Å
102T95.6Very high94.8Very high45 Ų4555.1 Ų55.128%0.27628%0.276SS..BIsolated β-bridgetrans-79.9153.5176.675.40000111.6D100 E104 D105 F106 G133D100-T102 PolarHBondContact O-N 3.22Å; T102-E104 PolarHBondContact O-N 2.91Å; T102-D105 PolarHBondContact O-N 2.91Å; T102-D105 WeakPolarHBondContact OG1-CB 3.22Å; T102-D105 PolarHBondContact OG1-N 2.94Å; T102-D105 PolarHBondContact OG1-OD2 3.03Å; T102-F106 PolarHBondContact O-N 3.48Å; T102-G133 CarbonylContact C-O 3.54Å; T102-G133 VanDerWaalsContact CA-O 3.29Å; T102-G133 WeakPolarHBondContact CA-O 3.46Å
103V97.3Very high94.8Very high0 Ų057.4 Ų57.40%028%0.277CS..Hα-helixtrans-57.9-36.4172.11740000111R107 M130 G133 L135 Y138V103-R107 HydrophobicContact CG1-CG 4.47Å; V103-R107 WeakPolarHBondContact O-CB 3.49Å; V103-R107 VanDerWaalsContact O-CG 3.23Å; V103-R107 WeakPolarHBondContact O-CG 3.42Å; V103-R107 PolarHBondContact O-N 3.41Å; V103-M130 HydrophobicContact CG1-CB 4.01Å; V103-M130 WeakPolarHBondContact CG1-O 3.46Å; V103-M130 HydrophobicContact CG2-CB 3.99Å; V103-G133 PolarHBondContact N-O 3.11Å; V103-L135 HydrophobicContact CG2-CD2 4.09Å; V103-Y138 HydrophobicContact CG2-CD2 4.05Å; V103-Y138 HydrophobicContact CG2-CE2 3.71Å
104E96.9Very high94.6Very high119 Ų11958.9 Ų58.956%0.55628%0.282SS*.Hα-helixtrans-66.2-45.8179.6-167.1-169144.200111.8T102 R107 K108T102-E104 PolarHBondContact O-N 2.91Å; E104-R107 WeakPolarHBondContact O-CB 3.47Å; E104-R107 PolarHBondContact O-N 3.41Å; E104-K108 WeakPolarHBondContact O-CG 3.3Å; E104-K108 PolarHBondContact O-N 2.92Å; E104-K108 VanDerWaalsContact O-N 3.11Å; E104-K108 VanDerWaalsContact OE1-CE 3.31Å; E104-K108 WeakPolarHBondContact OE1-CE 3.49Å; E104-K108 IonicContact OE1-NZ 2.72Å; E104-K108 PolarHBondContact OE1-NZ 3.34Å
105D95.4Very high94.4Very high68 Ų6859.2 Ų59.236%0.36430%0.297SS..Hα-helixtrans-65.9-41.1178.5-64-38.9000111.3T102 R107 K108 R109T102-D105 PolarHBondContact O-N 2.91Å; T102-D105 WeakPolarHBondContact OG1-CB 3.22Å; T102-D105 PolarHBondContact OG1-N 2.94Å; T102-D105 PolarHBondContact OG1-OD2 3.03Å; D105-R107 PolarHBondContact O-N 3.28Å; D105-K108 PolarHBondContact O-N 3.19Å; D105-K108 IonicContact OD1-NZ 3.85Å; D105-R109 PolarHBondContact O-N 2.73Å; D105-R109 VanDerWaalsContact O-N 3.12Å
106F97.1Very high94.1Very high0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-61.4-43174.6-172-107.1000111.8V83 L85 Y95 V97 E101 T102 K108 R109 V110 L123 L135 I146V83-F106 HydrophobicContact CG2-CE2 4.17Å; V83-F106 HydrophobicContact CG2-CZ 4.25Å; L85-F106 HydrophobicContact CD1-CE1 4.09Å; L85-F106 HydrophobicContact CD1-CZ 4.31Å; Y95-F106 AromaticContact CD1-CE2 3.94Å; Y95-F106 HydrophobicContact CD1-CE2 3.94Å; Y95-F106 HydrophobicContact CD2-CE2 4.37Å; Y95-F106 HydrophobicContact CD2-CZ 4.3Å; Y95-F106 AromaticContact CG-CE2 3.79Å; Y95-F106 HydrophobicContact CG-CE2 3.79Å; Y95-F106 HydrophobicContact CG-CZ 4.19Å; V97-F106 HydrophobicContact CG2-CD2 4.03Å; V97-F106 HydrophobicContact CG2-CE2 3.88Å; E101-F106 HydrophobicContact CG-CB 4.31Å; T102-F106 PolarHBondContact O-N 3.48Å; F106-K108 VanDerWaalsContact C-N 3.34Å; F106-K108 PolarHBondContact O-N 3.22Å; F106-R109 WeakPolarHBondContact O-CB 3.2Å; F106-R109 PolarHBondContact O-N 3.22Å; F106-R109 VanDerWaalsContact O-N 3.1Å; F106-V110 HydrophobicContact CD1-CG2 4Å; F106-V110 HydrophobicContact CE1-CG2 3.69Å; F106-V110 HydrophobicContact CZ-CG2 3.99Å; F106-V110 WeakPolarHBondContact O-CG2 3.24Å; F106-V110 PolarHBondContact O-N 2.85Å; F106-L123 HydrophobicContact CD1-CD1 3.69Å; F106-L123 HydrophobicContact CE1-CD1 4.11Å; F106-L135 HydrophobicContact CB-CD1 4Å; F106-L135 HydrophobicContact CB-CD2 4.32Å; F106-L135 HydrophobicContact CB-CG 4.5Å; F106-L135 HydrophobicContact CD1-CD2 4.28Å; F106-L135 HydrophobicContact CD2-CD1 4.04Å; F106-L135 HydrophobicContact CG-CD1 3.94Å; F106-L135 HydrophobicContact CG-CD2 4.35Å; F106-I146 HydrophobicContact CD1-CD1 4.47Å; F106-I146 HydrophobicContact CE1-CD1 3.7Å; F106-I146 HydrophobicContact CE1-CG2 4.47Å; F106-I146 HydrophobicContact CZ-CD1 3.83Å
107R96.9Very high94.1Very high20 Ų2058 Ų588%0.07529%0.294CS..Hα-helixtrans-58.1-42.3175.1-76.6168.6177.7-86.7-0.7112.7V103 E104 D105 R109 V110 E111 A118 Q121 L123 M130V103-R107 HydrophobicContact CG1-CG 4.47Å; V103-R107 WeakPolarHBondContact O-CB 3.49Å; V103-R107 VanDerWaalsContact O-CG 3.23Å; V103-R107 WeakPolarHBondContact O-CG 3.42Å; V103-R107 PolarHBondContact O-N 3.41Å; E104-R107 WeakPolarHBondContact O-CB 3.47Å; E104-R107 PolarHBondContact O-N 3.41Å; D105-R107 PolarHBondContact O-N 3.28Å; R107-R109 VanDerWaalsContact C-N 3.3Å; R107-R109 PolarHBondContact O-N 3.29Å; R107-V110 PolarHBondContact O-N 3.38Å; R107-E111 WeakPolarHBondContact O-CB 3.37Å; R107-E111 PolarHBondContact O-N 3.01Å; R107-A118 HydrophobicContact CB-CB 4.24Å; R107-A118 PolarHBondContact NH1-O 2.88Å; R107-Q121 VanDerWaalsContact CA-OE1 3.31Å; R107-Q121 PolarHBondContact NH1-O 2.82Å; R107-Q121 PolarHBondContact O-NE2 3.44Å; R107-Q121 PolarHBondContact O-OE1 3.3Å; R107-L123 HydrophobicContact CG-CD1 3.49Å; R107-L123 VanDerWaalsContact CG-CD1 3.49Å; R107-L123 HydrophobicContact CG-CG 4.29Å; R107-M130 PolarHBondContact NH2-O 2.95Å
108K96.4Very high94.1Very high103 Ų10359.4 Ų59.445%0.44831%0.306SS..Hα-helixtrans-61.6-39.5176-68.9169.1-173.3158.90111.4E104 D105 F106 E111 K112E104-K108 WeakPolarHBondContact O-CG 3.3Å; E104-K108 PolarHBondContact O-N 2.92Å; E104-K108 VanDerWaalsContact O-N 3.11Å; E104-K108 VanDerWaalsContact OE1-CE 3.31Å; E104-K108 WeakPolarHBondContact OE1-CE 3.49Å; E104-K108 IonicContact OE1-NZ 2.72Å; E104-K108 PolarHBondContact OE1-NZ 3.34Å; D105-K108 PolarHBondContact O-N 3.19Å; D105-K108 IonicContact OD1-NZ 3.85Å; F106-K108 VanDerWaalsContact C-N 3.34Å; F106-K108 PolarHBondContact O-N 3.22Å; K108-E111 PolarHBondContact O-N 3.46Å; K108-K112 PolarHBondContact O-N 3.47Å; K108-K112 VanDerWaalsContact O-N 3.08Å
109R96.1Very high94.1Very high82 Ų8264.2 Ų64.231%0.30933%0.329SS..Hα-helixtrans-67.8-41.5175.6-65.6-162.4-67.8147.6-5.8112.2Y95 D96 E101 D105 F106 R107 E111 K112 R113Y95-R109 HydrophobicContact CE1-CB 4.4Å; D96-R109 PolarHBondContact O-NH1 3.11Å; D96-R109 PolarHBondContact O-NH2 2.82Å; E101-R109 VanDerWaalsContact CD-NH2 3.31Å; E101-R109 IonicContact OE1-CZ 3.14Å; E101-R109 IonicContact OE1-NE 3.71Å; E101-R109 PolarHBondContact OE1-NE 3.05Å; E101-R109 IonicContact OE1-NH2 3.2Å; E101-R109 PolarHBondContact OE1-NH2 2.86Å; E101-R109 IonicContact OE2-NH2 3.4Å; D105-R109 PolarHBondContact O-N 2.73Å; D105-R109 VanDerWaalsContact O-N 3.12Å; F106-R109 WeakPolarHBondContact O-CB 3.2Å; F106-R109 PolarHBondContact O-N 3.22Å; F106-R109 VanDerWaalsContact O-N 3.1Å; R107-R109 VanDerWaalsContact C-N 3.3Å; R107-R109 PolarHBondContact O-N 3.29Å; R109-E111 VanDerWaalsContact C-N 3.33Å; R109-K112 PolarHBondContact O-N 3.05Å; R109-R113 PolarHBondContact O-N 2.96Å; R109-R113 VanDerWaalsContact O-N 3.15Å
110V96.3Very high94.4Very high0 Ų063.2 Ų63.20%032%0.319CS..Hα-helixtrans-61.7-41.6173.6173.40000110.9L85 Y95 F106 R107 K112 R113 E114 Q121 L148L85-V110 HydrophobicContact CD1-CG2 4.32Å; L85-V110 HydrophobicContact CD2-CB 4.42Å; L85-V110 HydrophobicContact CD2-CG1 3.75Å; L85-V110 HydrophobicContact CD2-CG2 3.83Å; Y95-V110 HydrophobicContact CE1-CG2 4.28Å; F106-V110 HydrophobicContact CD1-CG2 4Å; F106-V110 HydrophobicContact CE1-CG2 3.69Å; F106-V110 HydrophobicContact CZ-CG2 3.99Å; F106-V110 WeakPolarHBondContact O-CG2 3.24Å; F106-V110 PolarHBondContact O-N 2.85Å; R107-V110 PolarHBondContact O-N 3.38Å; V110-K112 PolarHBondContact O-N 3.15Å; V110-R113 PolarHBondContact O-N 3.26Å; V110-E114 HydrophobicContact CG1-CB 4.28Å; V110-E114 HydrophobicContact CG1-CG 3.89Å; V110-E114 WeakPolarHBondContact O-CB 3.32Å; V110-E114 PolarHBondContact O-N 3.14Å; V110-Q121 HydrophobicContact CG1-CG 4.48Å; V110-L148 HydrophobicContact CG1-CD2 3.93Å
111E96Very high94.8Very high79 Ų7959.6 Ų59.637%0.36930%0.299SS..Hα-helixtrans-60.1-48.1177.2177.2167.7-172.100111.2R107 K108 R109 R113 G115 V116 A118 Q121R107-E111 WeakPolarHBondContact O-CB 3.37Å; R107-E111 PolarHBondContact O-N 3.01Å; K108-E111 PolarHBondContact O-N 3.46Å; R109-E111 VanDerWaalsContact C-N 3.33Å; E111-R113 VanDerWaalsContact C-N 3.25Å; E111-R113 PolarHBondContact O-N 3.25Å; E111-G115 VanDerWaalsContact O-CA 3.24Å; E111-G115 WeakPolarHBondContact O-CA 3.33Å; E111-G115 PolarHBondContact O-N 2.99Å; E111-V116 VanDerWaalsContact CA-O 3.3Å; E111-V116 WeakPolarHBondContact CA-O 3.49Å; E111-V116 WeakPolarHBondContact CB-O 3.38Å; E111-V116 WeakPolarHBondContact CG-O 3.35Å; E111-A118 VanDerWaalsContact OE2-CB 3.31Å; E111-A118 WeakPolarHBondContact OE2-CB 3.49Å; E111-A118 PolarHBondContact OE2-N 2.8Å; E111-Q121 VanDerWaalsContact N-NE2 3.13Å
112K95.4Very high95Very high194 Ų19462.5 Ų62.584%0.84331%0.309SS*.Hα-helixtrans-61.5-32.5179.4-173.3175.8179.8179.50113K108 R109 V110K108-K112 PolarHBondContact O-N 3.47Å; K108-K112 VanDerWaalsContact O-N 3.08Å; R109-K112 PolarHBondContact O-N 3.05Å; V110-K112 PolarHBondContact O-N 3.15Å
113R94.6Very high95.1Very high140 Ų14060.3 Ų60.353%0.52830%0.296SS..Hα-helixtrans-97-42.6-173.7-171175.1-176.4179.50.6113.8T94 Y95 R109 V110 E111T94-R113 PolarHBondContact O-NH1 3Å; Y95-R113 WeakPolarHBondContact OH-CD 3.34Å; R109-R113 PolarHBondContact O-N 2.96Å; R109-R113 VanDerWaalsContact O-N 3.15Å; V110-R113 PolarHBondContact O-N 3.26Å; E111-R113 VanDerWaalsContact C-N 3.25Å; E111-R113 PolarHBondContact O-N 3.25Å
114E93.2Very high95.1Very high48 Ų4861.5 Ų61.522%0.22430%0.302CS..Hα-helixtrans-92.4-12.6-177.9-55.4-6414600112.3L85 S93 Y95 V110 V116 L148L85-E114 HydrophobicContact CD2-CG 3.84Å; S93-E114 WeakPolarHBondContact CB-OE1 3.33Å; S93-E114 PolarHBondContact OG-OE1 3.4Å; Y95-E114 PolarHBondContact OH-OE1 3.08Å; V110-E114 HydrophobicContact CG1-CB 4.28Å; V110-E114 HydrophobicContact CG1-CG 3.89Å; V110-E114 WeakPolarHBondContact O-CB 3.32Å; V110-E114 PolarHBondContact O-N 3.14Å; E114-V116 VanDerWaalsContact C-N 3.26Å; E114-V116 HydrophobicContact CB-CG2 4.35Å; E114-V116 PolarHBondContact O-N 3.01Å; E114-L148 HydrophobicContact CB-CD2 4.28Å; E114-L148 HydrophobicContact CG-CD2 4.18Å
115G93Very high95.2Very high63 Ų6356.2 Ų56.265%0.64928%0.277SS*.  trans73.914.1179.800000114.3E111E111-G115 VanDerWaalsContact O-CA 3.24Å; E111-G115 WeakPolarHBondContact O-CA 3.33Å; E111-G115 PolarHBondContact O-N 2.99Å
116V92.2Very high95.2Very high23 Ų2359.1 Ų59.114%0.13929%0.289CS..  trans-97.7118.1-180-179.60000109.6E111 E114 A118 Q120 Q121 L148 L150E111-V116 VanDerWaalsContact CA-O 3.3Å; E111-V116 WeakPolarHBondContact CA-O 3.49Å; E111-V116 WeakPolarHBondContact CB-O 3.38Å; E111-V116 WeakPolarHBondContact CG-O 3.35Å; E114-V116 VanDerWaalsContact C-N 3.26Å; E114-V116 HydrophobicContact CB-CG2 4.35Å; E114-V116 PolarHBondContact O-N 3.01Å; V116-A118 PolarHBondContact O-N 2.85Å; V116-Q120 HydrophobicContact CG1-CB 4.11Å; V116-Q121 HydrophobicContact CB-CG 4.11Å; V116-Q121 HydrophobicContact CG1-CG 3.65Å; V116-Q121 PolarHBondContact O-NE2 2.82Å; V116-L148 HydrophobicContact CG2-CD2 4.38Å; V116-L150 HydrophobicContact CB-CD2 4.24Å; V116-L150 HydrophobicContact CG1-CD2 3.28Å; V116-L150 HydrophobicContact CG2-CD2 3.88Å
117P93.7Very high95.1Very high42 Ų4262.8 Ų62.827%0.27333%0.326SS..  trans-53.1137178.1-28.836.5000112.9N119 Q120 Q121P117-N119 VanDerWaalsContact CB-OD1 3.28Å; P117-N119 WeakPolarHBondContact CB-OD1 3.48Å; P117-N119 PolarHBondContact O-N 3.18Å; P117-Q120 HydrophobicContact CB-CB 4.46Å; P117-Q120 HydrophobicContact CB-CG 4.35Å; P117-Q120 WeakPolarHBondContact O-CA 3.28Å; P117-Q120 WeakPolarHBondContact O-CB 3.37Å; P117-Q120 PolarHBondContact O-N 3.29Å; P117-Q121 PolarHBondContact O-N 2.83Å
118A92.7Very high95.1Very high29 Ų2969.4 Ų69.424%0.2435%0.351CS..THydrogen-bonded Turntrans-54.1-32.2-174.300000114.6R107 E111 V116 Q120 Q121R107-A118 HydrophobicContact CB-CB 4.24Å; R107-A118 PolarHBondContact NH1-O 2.88Å; E111-A118 VanDerWaalsContact OE2-CB 3.31Å; E111-A118 WeakPolarHBondContact OE2-CB 3.49Å; E111-A118 PolarHBondContact OE2-N 2.8Å; V116-A118 PolarHBondContact O-N 2.85Å; A118-Q120 VanDerWaalsContact C-N 3.32Å; A118-Q121 PolarHBondContact O-N 2.87Å
119N90.9Very high95.1Very high114 Ų11466.5 Ų66.561%0.6134%0.339SS*.THydrogen-bonded Turntrans-73.3-20.4176.966.3-15.5000114P117 R151P117-N119 VanDerWaalsContact CB-OD1 3.28Å; P117-N119 WeakPolarHBondContact CB-OD1 3.48Å; P117-N119 PolarHBondContact O-N 3.18Å; N119-R151 WeakPolarHBondContact O-CD 3.39Å
120Q93.6Very high95.1Very high48 Ų4862.6 Ų62.622%0.22432%0.324CS..THydrogen-bonded Turntrans-92.5-15.1175-67.7173.120.700112.1V116 P117 A118 L150 R151V116-Q120 HydrophobicContact CG1-CB 4.11Å; P117-Q120 HydrophobicContact CB-CB 4.46Å; P117-Q120 HydrophobicContact CB-CG 4.35Å; P117-Q120 WeakPolarHBondContact O-CA 3.28Å; P117-Q120 WeakPolarHBondContact O-CB 3.37Å; P117-Q120 PolarHBondContact O-N 3.29Å; A118-Q120 VanDerWaalsContact C-N 3.32Å; Q120-L150 CarbonylContact O-C 3.59Å; Q120-L150 WeakPolarHBondContact O-CA 3.2Å; Q120-R151 PolarHBondContact O-N 2.82Å
121Q95.5Very high95Very high0 Ų068.7 Ų68.70%035%0.353CS..EExtended strand (participates in β ladder)trans-73.3135.7177.8-63.1173.821.700111.6R107 V110 E111 V116 P117 A118 L148R107-Q121 VanDerWaalsContact CA-OE1 3.31Å; R107-Q121 PolarHBondContact NH1-O 2.82Å; R107-Q121 PolarHBondContact O-NE2 3.44Å; R107-Q121 PolarHBondContact O-OE1 3.3Å; V110-Q121 HydrophobicContact CG1-CG 4.48Å; E111-Q121 VanDerWaalsContact N-NE2 3.13Å; V116-Q121 HydrophobicContact CB-CG 4.11Å; V116-Q121 HydrophobicContact CG1-CG 3.65Å; V116-Q121 PolarHBondContact O-NE2 2.82Å; P117-Q121 PolarHBondContact O-N 2.83Å; A118-Q121 PolarHBondContact O-N 2.87Å; Q121-L148 HydrophobicContact CB-CD1 3.82Å; Q121-L148 HydrophobicContact CG-CD1 3.88Å
122R96.3Very high95Very high95 Ų9568.9 Ų68.936%0.35836%0.363SS..EExtended strand (participates in β ladder)trans-122.1101.8164.8-172.2176.4-170.1-117.6-5108.3I124 E129 T149 R151R122-I124 HydrophobicContact CG-CD1 4.22Å; R122-I124 HydrophobicContact CG-CG1 4.15Å; R122-E129 HydrophobicContact CG-CG 3.98Å; R122-E129 IonicContact CZ-OE2 3.4Å; R122-E129 IonicContact NE-OE2 2.76Å; R122-E129 PolarHBondContact NE-OE2 2.87Å; R122-E129 IonicContact NH2-OE2 3.64Å; R122-E129 PolarHBondContact NH2-OE2 3.04Å; R122-E129 VanDerWaalsContact NH2-OE2 3.14Å; R122-T149 WeakPolarHBondContact CA-O 3.33Å; R122-T149 WeakPolarHBondContact CB-O 3.38Å; R122-T149 WeakPolarHBondContact CB-OG1 3.32Å; R122-T149 PolarHBondContact N-O 2.86Å; R122-T149 PolarHBondContact O-N 2.61Å; R122-R151 HydrophobicContact CB-CG 4.34Å
123L97.5Very high95Very high0 Ų061.5 Ų61.50%034%0.341CS..EExtended strand (participates in β ladder)trans-90.9128.1179.2-57.9-179.6000109.6L85 F106 R107 E129 M130 I146 F147 L148L85-L123 HydrophobicContact CD1-CD2 3.97Å; F106-L123 HydrophobicContact CD1-CD1 3.69Å; F106-L123 HydrophobicContact CE1-CD1 4.11Å; R107-L123 HydrophobicContact CG-CD1 3.49Å; R107-L123 VanDerWaalsContact CG-CD1 3.49Å; R107-L123 HydrophobicContact CG-CG 4.29Å; L123-E129 WeakPolarHBondContact O-CA 3.27Å; L123-M130 HydrophobicContact CB-CB 4.41Å; L123-M130 HydrophobicContact CB-CE 3.54Å; L123-M130 HydrophobicContact CD1-CE 4.29Å; L123-M130 PolarHBondContact O-N 2.94Å; L123-I146 HydrophobicContact CB-CG2 4.12Å; L123-I146 HydrophobicContact CD2-CG2 4.3Å; L123-F147 CarbonylContact C-O 3.57Å; L123-F147 WeakPolarHBondContact CA-O 3.27Å; L123-L148 HydrophobicContact CD2-CB 4.27Å; L123-L148 HydrophobicContact CD2-CD1 3.83Å
124I97.6Very high95.1Very high24 Ų2459.3 Ų59.312%0.12334%0.336CS..EExtended strand (participates in β ladder)trans-130.1130.4-174.1-55.3168.4000109.4R122 R128 F147 T149R122-I124 HydrophobicContact CG-CD1 4.22Å; R122-I124 HydrophobicContact CG-CG1 4.15Å; I124-R128 VanDerWaalsContact CA-O 3.31Å; I124-R128 WeakPolarHBondContact CA-O 3.49Å; I124-F147 HydrophobicContact CB-CB 4.36Å; I124-F147 PolarHBondContact N-O 3.24Å; I124-F147 PolarHBondContact O-N 2.97Å; I124-T149 HydrophobicContact CD1-CG2 4.34Å
125H98.2Very high95.2Very high9 Ų957.1 Ų57.14%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-132.9134.3171.5-175.1-105000108.9G127 R128 M130 Y138 N139 V140 S144 T145H125-G127 PolarHBondContact O-N 3.4Å; H125-G127 VanDerWaalsContact O-N 3.11Å; H125-R128 PolarHBondContact N-O 3.26Å; H125-R128 PolarHBondContact O-N 2.68Å; H125-M130 HydrophobicContact CB-SD 3.98Å; H125-Y138 PolarHBondContact ND1-O 2.9Å; H125-N139 PolarHBondContact CE1-O 2.89Å; H125-V140 HydrophobicContact CB-CG2 4.15Å; H125-S144 WeakPolarHBondContact NE2-CB 3.39Å; H125-S144 PolarHBondContact NE2-OG 2.78Å; H125-T145 PolarHBondContact CD2-O 3.17Å
126E96.3Very high95.3Very high129 Ų12956.8 Ų56.860%0.60331%0.313SS*.THydrogen-bonded Turntrans49.238.3-177.2-65.5-176.8159.200114.1R128 N139E126-R128 PolarHBondContact O-N 2.74Å; E126-N139 PolarHBondContact OE2-ND2 3.25Å; E126-N139 VanDerWaalsContact OE2-ND2 3.14Å
127G94.6Very high95.5Very high76 Ų7660.5 Ų60.578%0.78433%0.332SS*.THydrogen-bonded Turntrans74.31.1-178.600000115.2H125H125-G127 PolarHBondContact O-N 3.4Å; H125-G127 VanDerWaalsContact O-N 3.11Å
128R96.3Very high95.7Very high160 Ų16060.4 Ų60.460%0.60433%0.327SS*.EExtended strand (participates in β ladder)trans-101.7130.6177.1-62.8-176.8179.7-169.7-0.1111I124 H125 E126 Y138I124-R128 VanDerWaalsContact CA-O 3.31Å; I124-R128 WeakPolarHBondContact CA-O 3.49Å; H125-R128 PolarHBondContact N-O 3.26Å; H125-R128 PolarHBondContact O-N 2.68Å; E126-R128 PolarHBondContact O-N 2.74Å; R128-Y138 HydrophobicContact CB-CD1 4.35Å
129E96.4Very high95.9Very high41 Ų4162.2 Ų62.219%0.19233%0.333CS..EExtended strand (participates in β ladder)trans-73.6127.1171-177175.2165.900110.1R122 L123 Q131 Y138 R151R122-E129 HydrophobicContact CG-CG 3.98Å; R122-E129 IonicContact CZ-OE2 3.4Å; R122-E129 IonicContact NE-OE2 2.76Å; R122-E129 PolarHBondContact NE-OE2 2.87Å; R122-E129 IonicContact NH2-OE2 3.64Å; R122-E129 PolarHBondContact NH2-OE2 3.04Å; R122-E129 VanDerWaalsContact NH2-OE2 3.14Å; L123-E129 WeakPolarHBondContact O-CA 3.27Å; E129-Q131 HydrophobicContact CG-CG 4.07Å; E129-Y138 WeakPolarHBondContact O-CE1 3.28Å; E129-R151 IonicContact OE1-CZ 3.79Å; E129-R151 IonicContact OE1-NE 3.88Å; E129-R151 IonicContact OE1-NH2 2.85Å; E129-R151 PolarHBondContact OE1-NH2 3.26Å
130M96.8Very high96.2Very high0 Ų057.1 Ų57.10%031%0.305CS..  trans-87.8108.4178.5-54.3-170.9-66.800109.5V103 R107 L123 H125 L135 Y138 V140 I146V103-M130 HydrophobicContact CG1-CB 4.01Å; V103-M130 WeakPolarHBondContact CG1-O 3.46Å; V103-M130 HydrophobicContact CG2-CB 3.99Å; R107-M130 PolarHBondContact NH2-O 2.95Å; L123-M130 HydrophobicContact CB-CB 4.41Å; L123-M130 HydrophobicContact CB-CE 3.54Å; L123-M130 HydrophobicContact CD1-CE 4.29Å; L123-M130 PolarHBondContact O-N 2.94Å; H125-M130 HydrophobicContact CB-SD 3.98Å; M130-L135 HydrophobicContact CE-CD2 4.07Å; M130-L135 HydrophobicContact SD-CD2 3.93Å; M130-Y138 HydrophobicContact CB-CD1 4.29Å; M130-Y138 HydrophobicContact CB-CD2 3.98Å; M130-Y138 HydrophobicContact CB-CE1 4.26Å; M130-Y138 HydrophobicContact CB-CE2 3.93Å; M130-Y138 HydrophobicContact CB-CG 4.15Å; M130-Y138 HydrophobicContact CG-CD1 3.73Å; M130-Y138 HydrophobicContact CG-CD2 3.78Å; M130-Y138 HydrophobicContact CG-CE1 4.18Å; M130-Y138 HydrophobicContact CG-CE2 4.22Å; M130-Y138 HydrophobicContact CG-CG 3.51Å; M130-Y138 HydrophobicContact SD-CD2 4.13Å; M130-Y138 HydrophobicContact SD-CG 4Å; M130-V140 HydrophobicContact SD-CG2 3.79Å; M130-I146 HydrophobicContact CE-CB 4.32Å; M130-I146 HydrophobicContact CE-CD1 3.98Å; M130-I146 HydrophobicContact CE-CG1 3.96Å; M130-I146 HydrophobicContact CE-CG2 3.4Å
131Q93.9Very high96.2Very high128 Ų12863 Ų6360%0.59833%0.326SS*.  trans-104.6-41.2-173.9-65.9-175.1-15.400112.9E129 Y138E129-Q131 HydrophobicContact CG-CG 4.07Å; Q131-Y138 PolarHBondContact N-OH 2.72Å
132S96Very high96.2Very high84 Ų8469 Ų6959%0.58735%0.354SS*.SBendtrans-158.2172.2-174.159.60000110.8Y138S132-Y138 PolarHBondContact N-OH 2.94Å; S132-Y138 VanDerWaalsContact O-CE2 3.23Å; S132-Y138 WeakPolarHBondContact O-CE2 3.45Å; S132-Y138 PolarHBondContact O-OH 2.89Å
133G95.5Very high96.3Very high38 Ų3869.2 Ų69.239%0.39236%0.359SS..SBendtrans84.7-159.9-179.600000112.2T102 V103T102-G133 CarbonylContact C-O 3.54Å; T102-G133 VanDerWaalsContact CA-O 3.29Å; T102-G133 WeakPolarHBondContact CA-O 3.46Å; V103-G133 PolarHBondContact N-O 3.11Å
134K96.4Very high96.3Very high95 Ų9570.1 Ų70.141%0.41337%0.365SS..BIsolated β-bridgetrans-90.3153.2-179.5-64.9178.8176.7-176.60111.1E101 S136 D137 Y138E101-K134 WeakPolarHBondContact O-CA 3.44Å; K134-S136 WeakPolarHBondContact CB-OG 3.42Å; K134-S136 PolarHBondContact O-N 3.27Å; K134-D137 PolarHBondContact N-OD2 3.09Å; K134-D137 WeakPolarHBondContact O-CB 3.12Å; K134-D137 PolarHBondContact O-N 3.04Å; K134-Y138 WeakPolarHBondContact O-CD2 3.48Å
135L96.8Very high96.3Very high2 Ų271.3 Ų71.31%0.0137%0.373CS..G310 helixtrans-59.5-33.1172.5-67.9175000112V97 E101 V103 F106 M130 D137 Y138 V140V97-L135 HydrophobicContact CB-CD1 4.48Å; V97-L135 HydrophobicContact CG1-CD1 3.46Å; V97-L135 VanDerWaalsContact CG1-CD1 3.46Å; V97-L135 HydrophobicContact CG2-CD1 4.14Å; E101-L135 HydrophobicContact CB-CD1 4.13Å; E101-L135 HydrophobicContact CG-CD1 3.95Å; E101-L135 PolarHBondContact O-N 2.84Å; V103-L135 HydrophobicContact CG2-CD2 4.09Å; F106-L135 HydrophobicContact CB-CD1 4Å; F106-L135 HydrophobicContact CB-CD2 4.32Å; F106-L135 HydrophobicContact CB-CG 4.5Å; F106-L135 HydrophobicContact CD1-CD2 4.28Å; F106-L135 HydrophobicContact CD2-CD1 4.04Å; F106-L135 HydrophobicContact CG-CD1 3.94Å; F106-L135 HydrophobicContact CG-CD2 4.35Å; M130-L135 HydrophobicContact CE-CD2 4.07Å; M130-L135 HydrophobicContact SD-CD2 3.93Å; L135-D137 PolarHBondContact O-N 2.91Å; L135-Y138 PolarHBondContact O-N 3.43Å; L135-Y138 VanDerWaalsContact O-N 3.11Å; L135-V140 HydrophobicContact CB-CB 3.99Å; L135-V140 HydrophobicContact CB-CG1 4.32Å; L135-V140 HydrophobicContact CB-CG2 4.21Å; L135-V140 HydrophobicContact CD2-CG2 4.48Å; L135-V140 WeakPolarHBondContact O-CB 3.37Å; L135-V140 WeakPolarHBondContact O-CG2 3.4Å; L135-V140 PolarHBondContact O-N 2.87Å
136S94.3Very high96.3Very high56 Ų5670.9 Ų70.939%0.39237%0.371SS..G310 helixtrans-59.7-30.9174.858.20000113.7K134 Y138 N139K134-S136 WeakPolarHBondContact CB-OG 3.42Å; K134-S136 PolarHBondContact O-N 3.27Å; S136-Y138 PolarHBondContact O-N 2.77Å; S136-Y138 VanDerWaalsContact O-N 3.17Å; S136-N139 PolarHBondContact O-N 3.42Å
137D96.4Very high96.4Very high100 Ų10069.2 Ų69.254%0.53536%0.362SS..G310 helixtrans-66.4-18180-55-22000111.5K134 L135K134-D137 PolarHBondContact N-OD2 3.09Å; K134-D137 WeakPolarHBondContact O-CB 3.12Å; K134-D137 PolarHBondContact O-N 3.04Å; L135-D137 PolarHBondContact O-N 2.91Å
138Y97.7Very high96.5Very high40 Ų4065.8 Ų65.816%0.15733%0.326CS..G310 helixtrans-105.419.4175.9-61.8-85.3000113.3V103 H125 R128 E129 M130 Q131 S132 K134 L135 S136 V140V103-Y138 HydrophobicContact CG2-CD2 4.05Å; V103-Y138 HydrophobicContact CG2-CE2 3.71Å; H125-Y138 PolarHBondContact ND1-O 2.9Å; R128-Y138 HydrophobicContact CB-CD1 4.35Å; E129-Y138 WeakPolarHBondContact O-CE1 3.28Å; M130-Y138 HydrophobicContact CB-CD1 4.29Å; M130-Y138 HydrophobicContact CB-CD2 3.98Å; M130-Y138 HydrophobicContact CB-CE1 4.26Å; M130-Y138 HydrophobicContact CB-CE2 3.93Å; M130-Y138 HydrophobicContact CB-CG 4.15Å; M130-Y138 HydrophobicContact CG-CD1 3.73Å; M130-Y138 HydrophobicContact CG-CD2 3.78Å; M130-Y138 HydrophobicContact CG-CE1 4.18Å; M130-Y138 HydrophobicContact CG-CE2 4.22Å; M130-Y138 HydrophobicContact CG-CG 3.51Å; M130-Y138 HydrophobicContact SD-CD2 4.13Å; M130-Y138 HydrophobicContact SD-CG 4Å; Q131-Y138 PolarHBondContact N-OH 2.72Å; S132-Y138 PolarHBondContact N-OH 2.94Å; S132-Y138 VanDerWaalsContact O-CE2 3.23Å; S132-Y138 WeakPolarHBondContact O-CE2 3.45Å; S132-Y138 PolarHBondContact O-OH 2.89Å; K134-Y138 WeakPolarHBondContact O-CD2 3.48Å; L135-Y138 PolarHBondContact O-N 3.43Å; L135-Y138 VanDerWaalsContact O-N 3.11Å; S136-Y138 PolarHBondContact O-N 2.77Å; S136-Y138 VanDerWaalsContact O-N 3.17Å; Y138-V140 PolarHBondContact O-N 2.99Å
139N96.2Very high96.4Very high68 Ų6860.2 Ų60.236%0.36431%0.31SS..THydrogen-bonded Turntrans5922.8-176.9-59.7-39.3000114.8H125 E126 S136 R141H125-N139 PolarHBondContact CE1-O 2.89Å; E126-N139 PolarHBondContact OE2-ND2 3.25Å; E126-N139 VanDerWaalsContact OE2-ND2 3.14Å; S136-N139 PolarHBondContact O-N 3.42Å; N139-R141 PolarHBondContact O-N 2.95Å
140V97.2Very high96.2Very high6 Ų661.7 Ų61.74%0.03632%0.318CS..  trans-67.4123.5172.9179.80000108.6F81 V83 H125 M130 L135 Y138 I146F81-V140 HydrophobicContact CE2-CG1 4.28Å; V83-V140 HydrophobicContact CG1-CG1 3.69Å; H125-V140 HydrophobicContact CB-CG2 4.15Å; M130-V140 HydrophobicContact SD-CG2 3.79Å; L135-V140 HydrophobicContact CB-CB 3.99Å; L135-V140 HydrophobicContact CB-CG1 4.32Å; L135-V140 HydrophobicContact CB-CG2 4.21Å; L135-V140 HydrophobicContact CD2-CG2 4.48Å; L135-V140 WeakPolarHBondContact O-CB 3.37Å; L135-V140 WeakPolarHBondContact O-CG2 3.4Å; L135-V140 PolarHBondContact O-N 2.87Å; Y138-V140 PolarHBondContact O-N 2.99Å; V140-I146 HydrophobicContact CG1-CD1 4.07Å; V140-I146 HydrophobicContact CG2-CD1 4.25Å; V140-I146 HydrophobicContact CG2-CG1 4.29Å
141R95Very high95.8Very high173 Ų17367 Ų6765%0.65334%0.339SS*.  trans-129.2179.1-178.4-65.7177.4-173.3176.43.8110.1F81 N139 H143 S144F81-R141 VanDerWaalsContact CE2-C 3.5Å; F81-R141 WeakPolarHBondContact CE2-O 3.42Å; N139-R141 PolarHBondContact O-N 2.95Å; R141-H143 PolarHBondContact O-N 3.08Å; R141-S144 PolarHBondContact N-OG 3.32Å; R141-S144 WeakPolarHBondContact O-CB 3.19Å; R141-S144 PolarHBondContact O-N 3.11Å; R141-S144 PolarHBondContact O-OG 2.91Å
142E95.8Very high94.9Very high125 Ų12569 Ų6958%0.58435%0.352SS*.THydrogen-bonded Turntrans-52.9131.3171.3-168.2175.9-161.400111.3F81 S144F81-E142 HydrophobicContact CB-CB 4.01Å; F81-E142 HydrophobicContact CB-CG 4.06Å; F81-E142 HydrophobicContact CD2-CB 4.32Å; F81-E142 HydrophobicContact CG-CB 4.47Å; E142-S144 PolarHBondContact O-N 3.26Å
143H96.9Very high93.8Very high100 Ų10074.7 Ų74.746%0.46336%0.361SS..THydrogen-bonded Turntrans62.613.2-176.4-51.9128.3000115.7Q82 F84 R141Q82-H143 WeakPolarHBondContact O-CA 3.4Å; Q82-H143 PolarHBondContact O-N 3.38Å; F84-H143 WeakPolarHBondContact CD2-O 3.46Å; F84-H143 HydrophobicContact CE2-CB 3.94Å; R141-H143 PolarHBondContact O-N 3.08Å
144S97.9Very high92.2Very high19 Ų1976.5 Ų76.513%0.13338%0.38CS..  trans-58.3146.2169.4-83.50000111.7F84 H125 R141 E142F84-S144 PolarHBondContact N-O 3.28Å; H125-S144 WeakPolarHBondContact NE2-CB 3.39Å; H125-S144 PolarHBondContact NE2-OG 2.78Å; R141-S144 PolarHBondContact N-OG 3.32Å; R141-S144 WeakPolarHBondContact O-CB 3.19Å; R141-S144 PolarHBondContact O-N 3.11Å; R141-S144 PolarHBondContact O-OG 2.91Å; E142-S144 PolarHBondContact O-N 3.26Å
145T98.1Very high89.7Confident49 Ų4979.1 Ų79.130%0.30143%0.434SS..EExtended strand (participates in β ladder)trans-106.3114.7171.7-58.60000110.5F84 K86 H125 F147F84-T145 HydrophobicContact CB-CG2 4.46Å; F84-T145 CarbonylContact O-C 3.55Å; F84-T145 WeakPolarHBondContact O-CA 3.42Å; K86-T145 HydrophobicContact CB-CG2 3.98Å; H125-T145 PolarHBondContact CD2-O 3.17Å; T145-F147 HydrophobicContact CG2-CE2 4.36Å; T145-F147 HydrophobicContact CG2-CZ 4.26Å
146I98.4Very high89.4Confident0 Ų083 Ų830%046%0.455CS..EExtended strand (participates in β ladder)trans-92.5131172.1-61.8162.7000108.3V83 F84 L85 K86 F106 L123 M130 V140V83-I146 HydrophobicContact CG2-CD1 4.22Å; F84-I146 PolarHBondContact O-N 3.2Å; L85-I146 CarbonylContact C-O 3.55Å; L85-I146 VanDerWaalsContact CA-O 3.31Å; L85-I146 WeakPolarHBondContact CA-O 3.4Å; L85-I146 HydrophobicContact CD1-CB 4.06Å; L85-I146 HydrophobicContact CD1-CG2 3.79Å; K86-I146 PolarHBondContact N-O 2.86Å; F106-I146 HydrophobicContact CD1-CD1 4.47Å; F106-I146 HydrophobicContact CE1-CD1 3.7Å; F106-I146 HydrophobicContact CE1-CG2 4.47Å; F106-I146 HydrophobicContact CZ-CD1 3.83Å; L123-I146 HydrophobicContact CB-CG2 4.12Å; L123-I146 HydrophobicContact CD2-CG2 4.3Å; M130-I146 HydrophobicContact CE-CB 4.32Å; M130-I146 HydrophobicContact CE-CD1 3.98Å; M130-I146 HydrophobicContact CE-CG1 3.96Å; M130-I146 HydrophobicContact CE-CG2 3.4Å; V140-I146 HydrophobicContact CG1-CD1 4.07Å; V140-I146 HydrophobicContact CG2-CD1 4.25Å; V140-I146 HydrophobicContact CG2-CG1 4.29Å
147F98.3Very high89.1Confident93 Ų9384.4 Ų84.441%0.40846%0.459SS..EExtended strand (participates in β ladder)trans-92.5129.9175.2-63.1-91.7000110.2K86 L123 I124 T145K86-F147 HydrophobicContact CB-CD1 4.13Å; K86-F147 HydrophobicContact CB-CE1 4.39Å; K86-F147 HydrophobicContact CD-CD1 4.33Å; K86-F147 HydrophobicContact CD-CE1 3.93Å; K86-F147 HydrophobicContact CG-CD1 4.47Å; K86-F147 WeakPolarHBondContact O-CA 3.46Å; L123-F147 CarbonylContact C-O 3.57Å; L123-F147 WeakPolarHBondContact CA-O 3.27Å; I124-F147 HydrophobicContact CB-CB 4.36Å; I124-F147 PolarHBondContact N-O 3.24Å; I124-F147 PolarHBondContact O-N 2.97Å; T145-F147 HydrophobicContact CG2-CE2 4.36Å; T145-F147 HydrophobicContact CG2-CZ 4.26Å
148L97.1Very high88.7Confident5 Ų583.6 Ų83.63%0.02645%0.454CS..EExtended strand (participates in β ladder)trans-100.3116.5169.4171.264.3000109L85 K86 E88 V110 E114 V116 Q121 L123L85-L148 HydrophobicContact CD1-CB 4.09Å; L85-L148 HydrophobicContact CD2-CB 4.32Å; L85-L148 HydrophobicContact CD2-CD2 4.2Å; L85-L148 HydrophobicContact CG-CB 4.19Å; K86-L148 PolarHBondContact O-N 3.01Å; E88-L148 PolarHBondContact N-O 2.65Å; V110-L148 HydrophobicContact CG1-CD2 3.93Å; E114-L148 HydrophobicContact CB-CD2 4.28Å; E114-L148 HydrophobicContact CG-CD2 4.18Å; V116-L148 HydrophobicContact CG2-CD2 4.38Å; Q121-L148 HydrophobicContact CB-CD1 3.82Å; Q121-L148 HydrophobicContact CG-CD1 3.88Å; L123-L148 HydrophobicContact CD2-CB 4.27Å; L123-L148 HydrophobicContact CD2-CD1 3.83Å
149T94.2Very high88.2Confident42 Ų4286.1 Ų86.126%0.25847%0.472SS..EExtended strand (participates in β ladder)trans-116.9161.1165.574.30000110.2E88 R122 I124E88-T149 WeakPolarHBondContact OE1-CA 3.11Å; R122-T149 WeakPolarHBondContact CA-O 3.33Å; R122-T149 WeakPolarHBondContact CB-O 3.38Å; R122-T149 WeakPolarHBondContact CB-OG1 3.32Å; R122-T149 PolarHBondContact N-O 2.86Å; R122-T149 PolarHBondContact O-N 2.61Å; I124-T149 HydrophobicContact CD1-CG2 4.34Å
150L92.1Very high87.7Confident72 Ų7287.3 Ų87.338%0.37748%0.479SS..EExtended strand (participates in β ladder)trans-93.7141.5178.7-59.4-178.5000110.7E88 V116 Q120E88-L150 PolarHBondContact OE1-N 3.08Å; E88-L150 WeakPolarHBondContact OE2-CD1 3.45Å; E88-L150 WeakPolarHBondContact OE2-CG 3.36Å; V116-L150 HydrophobicContact CB-CD2 4.24Å; V116-L150 HydrophobicContact CG1-CD2 3.28Å; V116-L150 HydrophobicContact CG2-CD2 3.88Å; Q120-L150 CarbonylContact O-C 3.59Å; Q120-L150 WeakPolarHBondContact O-CA 3.2Å
151R86.9Confident87Confident112 Ų11292.7 Ų92.742%0.42351%0.508SS..PPolyproline II helixtrans-74.6126.7164.1-67.9-177.7174.8168.6-4.4108.3N119 Q120 R122 E129 R153N119-R151 WeakPolarHBondContact O-CD 3.39Å; Q120-R151 PolarHBondContact O-N 2.82Å; R122-R151 HydrophobicContact CB-CG 4.34Å; E129-R151 IonicContact OE1-CZ 3.79Å; E129-R151 IonicContact OE1-NE 3.88Å; E129-R151 IonicContact OE1-NH2 2.85Å; E129-R151 PolarHBondContact OE1-NH2 3.26Å; R151-R153 PolarHBondContact O-N 2.98Å
152L76.5Confident86.5Confident170 Ų17086.9 Ų86.989%0.8950%0.498SS*.PPolyproline II helixtrans-64.4134.7173.6-64174000109.1G154L152-G154 PolarHBondContact O-N 3.26Å
153R71.6Confident85.7Confident203 Ų20384 Ų8477%0.76649%0.491SS*.PPolyproline II helixtrans-68.6117.2170.1-64.7-177.7-174.1159.35107.4R151 G155R151-R153 PolarHBondContact O-N 2.98Å; R153-G155 PolarHBondContact O-N 2.95Å
154G61.7Low84.8Confident76 Ų7682.7 Ų82.778%0.78449%0.493SS*.PPolyproline II helixtrans-65.9120.1157.600000107L152L152-G154 PolarHBondContact O-N 3.26Å
155G45.1Very low83.6Confident151 Ų15188.5 Ų88.5100%1.55753%0.526SS*.  trans-68.60172.200000112R153R153-G155 PolarHBondContact O-N 2.95Å

Retrieved 155 of 155 residues in 311.2 ms (Link to these results)

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