A0A3P9QE16_POERE Loading...

S100 calcium binding protein, beta (neural)

AlphaFold DB , UniProt , Accession A0A3P9QE16, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 94 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
1M81.7Confident94.8Very high167 Ų16790.7 Ų90.782%0.82351%0.505SS*.  0142.10-70.6171.385.700106.8E5 A9M1-E5 VanDerWaalsContact CA-OE2 3.28Å; M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CB-CB 4.1Å; M1-E5 HydrophobicContact CE-CB 4.06Å; M1-A9 HydrophobicContact CE-CB 4.05Å
2T97.1Very high94.9Very high84 Ų8488.3 Ų88.352%0.51549%0.489SS..  trans-71.9165.2170.760.20000110L4 E5 T6T2-L4 VanDerWaalsContact C-N 3.28Å; T2-L4 PolarHBondContact O-N 3.47Å; T2-E5 PolarHBondContact N-OE2 2.73Å; T2-E5 PolarHBondContact O-N 3.37Å; T2-E5 VanDerWaalsContact OG1-CG 3.26Å; T2-E5 WeakPolarHBondContact OG1-CG 3.34Å; T2-E5 PolarHBondContact OG1-N 2.98Å; T2-E5 PolarHBondContact OG1-OE2 3.18Å; T2-E5 VanDerWaalsContact OG1-OE2 3.08Å; T2-T6 PolarHBondContact O-N 3.39Å; T2-T6 PolarHBondContact O-OG1 3.17Å
3D96.7Very high95Very high141 Ų14185.5 Ų85.575%0.75449%0.485SS*.Hα-helixtrans-58.7-43-178-62.5-16.6000111.2T6 S7D3-T6 WeakPolarHBondContact O-CB 3.44Å; D3-T6 PolarHBondContact O-N 3.18Å; D3-S7 PolarHBondContact O-N 2.95Å; D3-S7 PolarHBondContact O-OG 2.92Å; D3-S7 VanDerWaalsContact O-OG 3.13Å
4L95Very high95.1Very high124 Ų12481.2 Ų81.265%0.64946%0.461SS*.Hα-helixtrans-64.9-43.4178.2-177.359.4000112.7T2 T6 S7 I8T2-L4 VanDerWaalsContact C-N 3.28Å; T2-L4 PolarHBondContact O-N 3.47Å; L4-T6 PolarHBondContact O-N 3.36Å; L4-S7 PolarHBondContact O-N 3.09Å; L4-I8 HydrophobicContact CD1-CD1 4.27Å; L4-I8 HydrophobicContact CD1-CG1 4.41Å; L4-I8 HydrophobicContact CG-CD1 4.07Å; L4-I8 VanDerWaalsContact O-CG1 3.32Å; L4-I8 WeakPolarHBondContact O-CG1 3.5Å; L4-I8 PolarHBondContact O-N 3.46Å
5E95.7Very high95.1Very high98 Ų9876.3 Ų76.346%0.45843%0.433SS..Hα-helixtrans-60.5-37174.6-72.1170.7147.800111.4M1 T2 A9M1-E5 VanDerWaalsContact CA-OE2 3.28Å; M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CB-CB 4.1Å; M1-E5 HydrophobicContact CE-CB 4.06Å; T2-E5 PolarHBondContact N-OE2 2.73Å; T2-E5 PolarHBondContact O-N 3.37Å; T2-E5 VanDerWaalsContact OG1-CG 3.26Å; T2-E5 WeakPolarHBondContact OG1-CG 3.34Å; T2-E5 PolarHBondContact OG1-N 2.98Å; T2-E5 PolarHBondContact OG1-OE2 3.18Å; T2-E5 VanDerWaalsContact OG1-OE2 3.08Å; E5-A9 WeakPolarHBondContact O-CB 3.22Å; E5-A9 PolarHBondContact O-N 3.45Å
6T97.1Very high95.1Very high65 Ų6577.4 Ų77.440%0.39943%0.433SS..Hα-helixtrans-69.6-41.7178.2-53.10000111.2T2 D3 L4 A9 T10T2-T6 PolarHBondContact O-N 3.39Å; T2-T6 PolarHBondContact O-OG1 3.17Å; D3-T6 WeakPolarHBondContact O-CB 3.44Å; D3-T6 PolarHBondContact O-N 3.18Å; L4-T6 PolarHBondContact O-N 3.36Å; T6-A9 PolarHBondContact O-N 3.39Å; T6-T10 WeakPolarHBondContact O-CB 3.25Å; T6-T10 PolarHBondContact O-N 3.42Å; T6-T10 PolarHBondContact O-OG1 3.18Å
7S95.1Very high95.1Very high64 Ų6479 Ų7945%0.44843%0.434SS..Hα-helixtrans-63.3-44.5175.4-61.40000111.9D3 L4 A9 T10 I11D3-S7 PolarHBondContact O-N 2.95Å; D3-S7 PolarHBondContact O-OG 2.92Å; D3-S7 VanDerWaalsContact O-OG 3.13Å; L4-S7 PolarHBondContact O-N 3.09Å; S7-A9 PolarHBondContact O-N 2.94Å; S7-T10 WeakPolarHBondContact O-CB 3.47Å; S7-T10 PolarHBondContact O-N 2.77Å; S7-T10 VanDerWaalsContact O-N 3.16Å; S7-I11 WeakPolarHBondContact O-CG1 3.49Å; S7-I11 PolarHBondContact O-N 2.76Å
8I95.6Very high95.2Very high88 Ų8874.6 Ų74.645%0.45141%0.41SS..Hα-helixtrans-60-46.9175.4-68.3166.6000110.5L4 T10 I11 I12L4-I8 HydrophobicContact CD1-CD1 4.27Å; L4-I8 HydrophobicContact CD1-CG1 4.41Å; L4-I8 HydrophobicContact CG-CD1 4.07Å; L4-I8 VanDerWaalsContact O-CG1 3.32Å; L4-I8 WeakPolarHBondContact O-CG1 3.5Å; L4-I8 PolarHBondContact O-N 3.46Å; I8-T10 VanDerWaalsContact C-N 3.26Å; I8-T10 PolarHBondContact O-N 2.98Å; I8-I11 PolarHBondContact O-N 3.15Å; I8-I12 HydrophobicContact CG2-CD1 3.97Å; I8-I12 WeakPolarHBondContact O-CG1 3.27Å; I8-I12 PolarHBondContact O-N 3.02Å; I8-I12 VanDerWaalsContact O-N 3.11Å
9A96.1Very high95.1Very high40 Ų4070.7 Ų70.733%0.33139%0.389SS..Hα-helixtrans-61.2-37.2176.800000112.1M1 E5 T6 S7 I12 A13M1-A9 HydrophobicContact CE-CB 4.05Å; E5-A9 WeakPolarHBondContact O-CB 3.22Å; E5-A9 PolarHBondContact O-N 3.45Å; T6-A9 PolarHBondContact O-N 3.39Å; S7-A9 PolarHBondContact O-N 2.94Å; A9-I12 PolarHBondContact O-N 2.89Å; A9-A13 WeakPolarHBondContact O-CB 3.41Å; A9-A13 PolarHBondContact O-N 3.34Å
10T96.8Very high95Very high77 Ų7773.1 Ų73.147%0.47240%0.397SS..Hα-helixtrans-65.8-45.7177.2-570000111.4T6 S7 I8 I12 A13 V14T6-T10 WeakPolarHBondContact O-CB 3.25Å; T6-T10 PolarHBondContact O-N 3.42Å; T6-T10 PolarHBondContact O-OG1 3.18Å; S7-T10 WeakPolarHBondContact O-CB 3.47Å; S7-T10 PolarHBondContact O-N 2.77Å; S7-T10 VanDerWaalsContact O-N 3.16Å; I8-T10 VanDerWaalsContact C-N 3.26Å; I8-T10 PolarHBondContact O-N 2.98Å; T10-I12 VanDerWaalsContact C-N 3.31Å; T10-I12 PolarHBondContact O-N 2.52Å; T10-A13 PolarHBondContact O-N 2.69Å; T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 WeakPolarHBondContact O-CG2 3.46Å; T10-V14 PolarHBondContact O-N 2.82Å
11I96.1Very high94.6Very high50 Ų5074.8 Ų74.826%0.25640%0.398SS..Hα-helixtrans-58.5-45.2177.2-67.6164.1000110.7S7 I8 V14 F15 F74 M75 V78S7-I11 WeakPolarHBondContact O-CG1 3.49Å; S7-I11 PolarHBondContact O-N 2.76Å; I8-I11 PolarHBondContact O-N 3.15Å; I11-V14 PolarHBondContact O-N 3.27Å; I11-F15 PolarHBondContact O-N 2.91Å; I11-F74 HydrophobicContact CG2-CE1 3.99Å; I11-M75 HydrophobicContact CG2-SD 3.61Å; I11-V78 HydrophobicContact CD1-CG1 4.38Å
12I95.9Very high94.6Very high61 Ų6172.2 Ų72.231%0.31338%0.384SS..Hα-helixtrans-62.5-47.1177.4-66.1165.8000110.9I8 A9 T10 V14 F15 Q16 F71I8-I12 HydrophobicContact CG2-CD1 3.97Å; I8-I12 WeakPolarHBondContact O-CG1 3.27Å; I8-I12 PolarHBondContact O-N 3.02Å; I8-I12 VanDerWaalsContact O-N 3.11Å; A9-I12 PolarHBondContact O-N 2.89Å; T10-I12 VanDerWaalsContact C-N 3.31Å; T10-I12 PolarHBondContact O-N 2.52Å; I12-V14 VanDerWaalsContact C-N 3.33Å; I12-V14 PolarHBondContact O-N 3.31Å; I12-F15 PolarHBondContact O-N 3.32Å; I12-Q16 HydrophobicContact CG2-CG 4.46Å; I12-Q16 WeakPolarHBondContact O-CG 3.39Å; I12-Q16 PolarHBondContact O-N 3.32Å; I12-F71 HydrophobicContact CG1-CE2 4.2Å; I12-F71 HydrophobicContact CG1-CZ 3.75Å
13A95.9Very high93.8Very high52 Ų5271.1 Ų71.143%0.4339%0.389SS..Hα-helixtrans-63.8-39-178.400000112.2A9 T10 K17A9-A13 WeakPolarHBondContact O-CB 3.41Å; A9-A13 PolarHBondContact O-N 3.34Å; T10-A13 PolarHBondContact O-N 2.69Å; A13-K17 VanDerWaalsContact O-CB 3.29Å; A13-K17 WeakPolarHBondContact O-CB 3.45Å; A13-K17 PolarHBondContact O-N 3.48Å
14V96.6Very high93.3Very high26 Ų2667.6 Ų67.616%0.15837%0.37CS..Hα-helixtrans-62.5-51.5174168.30000110T10 I11 I12 Q16 K17 Y18 L36 E40T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 WeakPolarHBondContact O-CG2 3.46Å; T10-V14 PolarHBondContact O-N 2.82Å; I11-V14 PolarHBondContact O-N 3.27Å; I12-V14 VanDerWaalsContact C-N 3.33Å; I12-V14 PolarHBondContact O-N 3.31Å; V14-Q16 VanDerWaalsContact C-N 3.32Å; V14-Q16 PolarHBondContact O-N 3.09Å; V14-K17 WeakPolarHBondContact O-CB 3.3Å; V14-K17 PolarHBondContact O-N 3.33Å; V14-K17 VanDerWaalsContact O-N 3.17Å; V14-Y18 HydrophobicContact CG1-CD2 4.25Å; V14-Y18 HydrophobicContact CG1-CE2 4.23Å; V14-Y18 VanDerWaalsContact O-CD2 3.27Å; V14-Y18 WeakPolarHBondContact O-CD2 3.45Å; V14-Y18 PolarHBondContact O-N 2.8Å; V14-L36 HydrophobicContact CG1-CD1 4.13Å; V14-L36 HydrophobicContact CG1-CG 4.2Å; V14-E40 HydrophobicContact CG1-CB 4.47Å; V14-E40 HydrophobicContact CG1-CG 3.78Å
15F95.8Very high93Very high8 Ų867.7 Ų67.74%0.03537%0.365CS..Hα-helixtrans-53.6-49.8178.3178.9-91.8000112I11 I12 K17 Y18 S19 H26 L28 F71 F74I11-F15 PolarHBondContact O-N 2.91Å; I12-F15 PolarHBondContact O-N 3.32Å; F15-K17 PolarHBondContact O-N 3.08Å; F15-Y18 PolarHBondContact O-N 3.22Å; F15-S19 PolarHBondContact O-N 3.3Å; F15-S19 PolarHBondContact O-OG 3.45Å; F15-H26 WeakPolarHBondContact CZ-O 3.49Å; F15-L28 HydrophobicContact CD2-CD1 3.63Å; F15-L28 HydrophobicContact CD2-CG 4.05Å; F15-L28 HydrophobicContact CE2-CD1 3.53Å; F15-L28 HydrophobicContact CE2-CG 3.65Å; F15-L28 HydrophobicContact CZ-CG 4.22Å; F15-F71 HydrophobicContact CB-CD2 4Å; F15-F71 HydrophobicContact CB-CE2 4.11Å; F15-F71 HydrophobicContact CD1-CB 4.43Å; F15-F71 AromaticContact CD1-CD2 3.74Å; F15-F71 HydrophobicContact CD1-CD2 3.74Å; F15-F71 AromaticContact CD2-CD2 3.95Å; F15-F71 HydrophobicContact CD2-CD2 3.95Å; F15-F71 HydrophobicContact CE1-CB 4.01Å; F15-F71 HydrophobicContact CE1-CD2 4.18Å; F15-F71 HydrophobicContact CE2-CB 4.38Å; F15-F71 HydrophobicContact CE2-CD2 4.36Å; F15-F71 AromaticContact CG-CD2 3.62Å; F15-F71 HydrophobicContact CG-CD2 3.62Å; F15-F71 HydrophobicContact CG-CE2 4.23Å; F15-F71 HydrophobicContact CZ-CB 3.99Å; F15-F71 HydrophobicContact CZ-CD2 4.47Å; F15-F74 HydrophobicContact CB-CD1 4.18Å; F15-F74 HydrophobicContact CB-CE1 4.08Å; F15-F74 HydrophobicContact CD2-CB 3.82Å; F15-F74 AromaticContact CD2-CD1 3.56Å; F15-F74 HydrophobicContact CD2-CD1 3.56Å; F15-F74 HydrophobicContact CD2-CD2 4.32Å; F15-F74 HydrophobicContact CD2-CE1 4.18Å; F15-F74 AromaticContact CD2-CG 3.63Å; F15-F74 HydrophobicContact CD2-CG 3.63Å; F15-F74 HydrophobicContact CE2-CB 3.79Å; F15-F74 HydrophobicContact CE2-CD1 4.39Å; F15-F74 HydrophobicContact CE2-CG 4.11Å; F15-F74 HydrophobicContact CG-CD1 4.25Å
16Q95Very high92.8Very high94 Ų9469.8 Ų69.844%0.43938%0.375SS..Hα-helixtrans-62.3-39.7-180-71.1174.3-15.500112.9I12 V14 Y18 S19 E20I12-Q16 HydrophobicContact CG2-CG 4.46Å; I12-Q16 WeakPolarHBondContact O-CG 3.39Å; I12-Q16 PolarHBondContact O-N 3.32Å; V14-Q16 VanDerWaalsContact C-N 3.32Å; V14-Q16 PolarHBondContact O-N 3.09Å; Q16-Y18 PolarHBondContact O-N 2.95Å; Q16-S19 PolarHBondContact O-N 2.99Å; Q16-E20 WeakPolarHBondContact O-CB 3.32Å; Q16-E20 VanDerWaalsContact O-CG 3.27Å; Q16-E20 WeakPolarHBondContact O-CG 3.48Å; Q16-E20 PolarHBondContact O-N 3.43Å; Q16-E20 VanDerWaalsContact O-N 3.09Å
17K95.4Very high92.7Very high104 Ų10468.7 Ų68.745%0.45236%0.364SS..Hα-helixtrans-56.6-32177171.5-171.1165-160.90112.5A13 V14 F15 E40A13-K17 VanDerWaalsContact O-CB 3.29Å; A13-K17 WeakPolarHBondContact O-CB 3.45Å; A13-K17 PolarHBondContact O-N 3.48Å; V14-K17 WeakPolarHBondContact O-CB 3.3Å; V14-K17 PolarHBondContact O-N 3.33Å; V14-K17 VanDerWaalsContact O-N 3.17Å; F15-K17 PolarHBondContact O-N 3.08Å; K17-E40 IonicContact NZ-OE1 2.98Å; K17-E40 PolarHBondContact NZ-OE1 2.94Å
18Y95.7Very high92.6Very high0 Ų065.6 Ų65.60%034%0.343CS..Hα-helixtrans-95.3-39.1-179.9-70.4-90.3000112.7V14 F15 Q16 E20 R21 E32 D35 L36 D39 E40V14-Y18 HydrophobicContact CG1-CD2 4.25Å; V14-Y18 HydrophobicContact CG1-CE2 4.23Å; V14-Y18 VanDerWaalsContact O-CD2 3.27Å; V14-Y18 WeakPolarHBondContact O-CD2 3.45Å; V14-Y18 PolarHBondContact O-N 2.8Å; F15-Y18 PolarHBondContact O-N 3.22Å; Q16-Y18 PolarHBondContact O-N 2.95Å; Y18-E20 VanDerWaalsContact C-N 3.3Å; Y18-E20 PolarHBondContact O-N 3.02Å; Y18-R21 VanDerWaalsContact CD1-CZ 3.44Å; Y18-R21 VanDerWaalsContact CE1-CZ 3.47Å; Y18-R21 WeakPolarHBondContact O-CB 3.44Å; Y18-R21 WeakPolarHBondContact O-CG 3.09Å; Y18-R21 PolarHBondContact O-N 3.29Å; Y18-E32 VanDerWaalsContact O-CD 3.24Å; Y18-E32 WeakPolarHBondContact O-CG 3.38Å; Y18-E32 VanDerWaalsContact O-OE1 3.05Å; Y18-D35 HydrophobicContact CD1-CB 3.94Å; Y18-D35 HydrophobicContact CE1-CB 3.85Å; Y18-L36 HydrophobicContact CD1-CB 3.83Å; Y18-L36 HydrophobicContact CD2-CB 3.88Å; Y18-L36 HydrophobicContact CD2-CD1 3.92Å; Y18-L36 HydrophobicContact CD2-CG 3.84Å; Y18-L36 HydrophobicContact CE1-CB 4.18Å; Y18-L36 HydrophobicContact CE2-CB 4.27Å; Y18-L36 HydrophobicContact CE2-CG 4.21Å; Y18-L36 HydrophobicContact CG-CB 3.7Å; Y18-L36 HydrophobicContact CG-CD1 4.16Å; Y18-L36 HydrophobicContact CG-CG 4.14Å; Y18-D39 WeakPolarHBondContact OH-CB 3.34Å; Y18-D39 PolarHBondContact OH-OD2 3.33Å; Y18-E40 HydrophobicContact CE2-CG 3.73Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.21Å; Y18-E40 PolarHBondContact OH-OE1 3.36Å
19S93.6Very high92.5Very high1 Ų164.4 Ų64.41%0.00733%0.334CS..Hα-helixtrans-70.8-22.3-179.567.50000113.7F15 Q16 R21 K25 K27F15-S19 PolarHBondContact O-N 3.3Å; F15-S19 PolarHBondContact O-OG 3.45Å; Q16-S19 PolarHBondContact O-N 2.99Å; S19-R21 PolarHBondContact O-N 3.3Å; S19-K25 WeakPolarHBondContact CB-O 3.42Å; S19-K25 WeakPolarHBondContact O-CA 3.43Å; S19-K25 PolarHBondContact OG-O 2.82Å; S19-K27 VanDerWaalsContact CB-O 3.3Å; S19-K27 WeakPolarHBondContact CB-O 3.24Å
20E93Very high92.2Very high117 Ų11766.1 Ų66.155%0.54733%0.334SS..THydrogen-bonded Turntrans-79-2.2178.7-72.1-175.817500114.1Q16 Y18 K25Q16-E20 WeakPolarHBondContact O-CB 3.32Å; Q16-E20 VanDerWaalsContact O-CG 3.27Å; Q16-E20 WeakPolarHBondContact O-CG 3.48Å; Q16-E20 PolarHBondContact O-N 3.43Å; Q16-E20 VanDerWaalsContact O-N 3.09Å; Y18-E20 VanDerWaalsContact C-N 3.3Å; Y18-E20 PolarHBondContact O-N 3.02Å; E20-K25 HydrophobicContact CG-CB 4.29Å
21R87.8Confident91.9Very high110 Ų11065 Ų6542%0.41533%0.33SS..SBendtrans-75.3-46.7-174-66178.1177.2-168.8-0.6111.9Y18 S19 E32 D35Y18-R21 VanDerWaalsContact CD1-CZ 3.44Å; Y18-R21 VanDerWaalsContact CE1-CZ 3.47Å; Y18-R21 WeakPolarHBondContact O-CB 3.44Å; Y18-R21 WeakPolarHBondContact O-CG 3.09Å; Y18-R21 PolarHBondContact O-N 3.29Å; S19-R21 PolarHBondContact O-N 3.3Å; R21-E32 HydrophobicContact CB-CG 4.37Å; R21-E32 WeakPolarHBondContact CB-OE1 3.31Å; R21-E32 PolarHBondContact N-OE1 3.05Å; R21-D35 IonicContact NH1-OD2 3.59Å; R21-D35 PolarHBondContact NH1-OD2 3.45Å
22E80.7Confident91.7Very high113 Ų11362.8 Ų62.853%0.52832%0.318SS..SBendtrans-150115-170.1-64.1-171.8178.900114.4K29 E32E22-K29 WeakPolarHBondContact O-CD 3.46Å; E22-K29 VanDerWaalsContact O-CE 3.25Å; E22-K29 WeakPolarHBondContact O-CE 3.41Å; E22-K29 PolarHBondContact O-NZ 2.89Å; E22-E32 WeakPolarHBondContact CA-OE1 3.36Å; E22-E32 PolarHBondContact N-OE1 3.48Å
23G81.1Confident91.5Very high60 Ų6059.9 Ų59.962%0.61930%0.303SS*.SBendtrans93.5-127.517200000113.3K25G23-K25 PolarHBondContact O-N 2.82Å
24D85.9Confident91.2Very high67 Ų6761.6 Ų61.636%0.35830%0.301SS..  trans-75.8117.7178.6-169.4-25.4000110.2H26 K27D24-H26 PolarHBondContact O-N 2.67Å; D24-H26 WeakPolarHBondContact OD1-CB 3.29Å; D24-H26 IonicContact OD1-CD2 2.82Å; D24-H26 IonicContact OD1-CG 2.67Å; D24-H26 PolarHBondContact OD1-N 2.76Å; D24-K27 HydrophobicContact CB-CB 4.4Å; D24-K27 HydrophobicContact CB-CG 4.49Å; D24-K27 PolarHBondContact O-N 2.8Å; D24-K27 VanDerWaalsContact O-N 3.15Å
25K89.2Confident91Very high127 Ų12763.6 Ų63.655%0.55231%0.311SS*.THydrogen-bonded Turntrans-65.7-10.3-177.5-61.6-171.8176.2-166.10114.2S19 E20 G23S19-K25 WeakPolarHBondContact CB-O 3.42Å; S19-K25 WeakPolarHBondContact O-CA 3.43Å; S19-K25 PolarHBondContact OG-O 2.82Å; E20-K25 HydrophobicContact CG-CB 4.29Å; G23-K25 PolarHBondContact O-N 2.82Å
26H91.6Very high90.8Very high142 Ų14263.3 Ų63.366%0.65731%0.31SS*.THydrogen-bonded Turntrans-106.10.3-178.1-58.3-60.3000113.4F15 D24F15-H26 WeakPolarHBondContact CZ-O 3.49Å; D24-H26 PolarHBondContact O-N 2.67Å; D24-H26 WeakPolarHBondContact OD1-CB 3.29Å; D24-H26 IonicContact OD1-CD2 2.82Å; D24-H26 IonicContact OD1-CG 2.67Å; D24-H26 PolarHBondContact OD1-N 2.76Å
27K93.9Very high90.6Very high41 Ų4159 Ų5918%0.17829%0.289CS..EExtended strand (participates in β ladder)trans-134.2150.2179.6-54.2-168.5177.1-159.90110.3S19 D24 D64 D66 E68 C69 N70S19-K27 VanDerWaalsContact CB-O 3.3Å; S19-K27 WeakPolarHBondContact CB-O 3.24Å; D24-K27 HydrophobicContact CB-CB 4.4Å; D24-K27 HydrophobicContact CB-CG 4.49Å; D24-K27 PolarHBondContact O-N 2.8Å; D24-K27 VanDerWaalsContact O-N 3.15Å; K27-D64 IonicContact NZ-OD2 3.85Å; K27-D66 WeakPolarHBondContact CD-OD2 3.45Å; K27-D66 IonicContact NZ-OD2 3.4Å; K27-D66 PolarHBondContact NZ-OD2 3.34Å; K27-E68 HydrophobicContact CB-CB 3.8Å; K27-E68 HydrophobicContact CD-CB 3.93Å; K27-E68 WeakPolarHBondContact CD-OE2 3.46Å; K27-C69 CarbonylContact C-O 3.54Å; K27-C69 WeakPolarHBondContact CA-O 3.27Å; K27-N70 HydrophobicContact CD-CB 4.41Å; K27-N70 HydrophobicContact CG-CB 4.11Å
28L94.1Very high90.2Very high0 Ų059.7 Ų59.70%029%0.294CS..EExtended strand (participates in β ladder)trans-94.2124.5172.6-67.7167.3000108.5F15 E32 L33 L36 E68 C69 F74F15-L28 HydrophobicContact CD2-CD1 3.63Å; F15-L28 HydrophobicContact CD2-CG 4.05Å; F15-L28 HydrophobicContact CE2-CD1 3.53Å; F15-L28 HydrophobicContact CE2-CG 3.65Å; F15-L28 HydrophobicContact CZ-CG 4.22Å; L28-E32 WeakPolarHBondContact CA-OE2 3.33Å; L28-E32 HydrophobicContact CB-CB 4.48Å; L28-E32 HydrophobicContact CD2-CB 3.83Å; L28-L33 HydrophobicContact CB-CB 4.43Å; L28-L33 HydrophobicContact CD1-CD1 4.31Å; L28-L36 HydrophobicContact CD1-CD1 3.91Å; L28-E68 CarbonylContact O-C 3.05Å; L28-E68 WeakPolarHBondContact O-CA 3.44Å; L28-C69 HydrophobicContact CB-CB 4.21Å; L28-C69 PolarHBondContact N-O 3.19Å; L28-C69 PolarHBondContact O-N 2.92Å; L28-F74 HydrophobicContact CD1-CD2 4.18Å
29K92.6Very high90Very high62 Ų6263.6 Ų63.627%0.2732%0.315SS..EExtended strand (participates in β ladder)trans-70.9162.9161.3-71.1178.5-179159.30110.2E22 S31 E32 L33 E68E22-K29 WeakPolarHBondContact O-CD 3.46Å; E22-K29 VanDerWaalsContact O-CE 3.25Å; E22-K29 WeakPolarHBondContact O-CE 3.41Å; E22-K29 PolarHBondContact O-NZ 2.89Å; K29-S31 PolarHBondContact O-N 3.11Å; K29-E32 HydrophobicContact CB-CG 4.39Å; K29-E32 PolarHBondContact N-OE2 3.46Å; K29-E32 PolarHBondContact O-N 2.93Å; K29-L33 PolarHBondContact O-N 3.05Å; K29-E68 WeakPolarHBondContact CE-OE1 3.35Å; K29-E68 HydrophobicContact CG-CG 4.31Å; K29-E68 WeakPolarHBondContact CG-OE1 3.49Å
30K89Confident90Very high76 Ų7667 Ų6733%0.3333%0.331SS..Hα-helixtrans-52.2-38173.8-173.1173.8175.9177.70114.3K34 D55 M58K30-K34 WeakPolarHBondContact O-CB 2.68Å; K30-K34 PolarHBondContact O-N 2.81Å; K30-K34 VanDerWaalsContact O-N 3.08Å; K30-D55 WeakPolarHBondContact CE-OD1 3.42Å; K30-D55 IonicContact NZ-OD1 3.93Å; K30-D55 PolarHBondContact NZ-OD1 3.05Å; K30-D55 IonicContact NZ-OD2 3.1Å; K30-D55 PolarHBondContact NZ-OD2 3.06Å; K30-M58 HydrophobicContact CB-CG 4.45Å; K30-M58 HydrophobicContact CB-SD 4.4Å
31S90.3Very high89.7Confident54 Ų5464.1 Ų64.138%0.37832%0.319SS..Hα-helixtrans-68.1-42.2174.643.40000112.2K29 K34 D35K29-S31 PolarHBondContact O-N 3.11Å; S31-K34 WeakPolarHBondContact O-CB 3.41Å; S31-K34 PolarHBondContact O-N 2.82Å; S31-D35 PolarHBondContact O-N 2.78Å; S31-D35 VanDerWaalsContact O-N 3.09Å
32E93.7Very high89.6Confident3 Ų362.3 Ų62.31%0.01432%0.322CS..Hα-helixtrans-69.8-40.2179.5-62.9170.7139.200111.7Y18 R21 E22 L28 K29 K34 D35 L36Y18-E32 VanDerWaalsContact O-CD 3.24Å; Y18-E32 WeakPolarHBondContact O-CG 3.38Å; Y18-E32 VanDerWaalsContact O-OE1 3.05Å; R21-E32 HydrophobicContact CB-CG 4.37Å; R21-E32 WeakPolarHBondContact CB-OE1 3.31Å; R21-E32 PolarHBondContact N-OE1 3.05Å; E22-E32 WeakPolarHBondContact CA-OE1 3.36Å; E22-E32 PolarHBondContact N-OE1 3.48Å; L28-E32 WeakPolarHBondContact CA-OE2 3.33Å; L28-E32 HydrophobicContact CB-CB 4.48Å; L28-E32 HydrophobicContact CD2-CB 3.83Å; K29-E32 HydrophobicContact CB-CG 4.39Å; K29-E32 PolarHBondContact N-OE2 3.46Å; K29-E32 PolarHBondContact O-N 2.93Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.46Å; E32-D35 PolarHBondContact O-N 2.89Å; E32-L36 WeakPolarHBondContact O-CB 3.44Å; E32-L36 PolarHBondContact O-N 2.75Å
33L90.9Very high89.6Confident1 Ų163.4 Ų63.41%0.00533%0.331CS..Hα-helixtrans-60.6-42.8172.5179.763000110.7L28 K29 D35 L36 L37 M58 L61L28-L33 HydrophobicContact CB-CB 4.43Å; L28-L33 HydrophobicContact CD1-CD1 4.31Å; K29-L33 PolarHBondContact O-N 3.05Å; L33-D35 VanDerWaalsContact C-N 3.35Å; L33-D35 PolarHBondContact O-N 3.4Å; L33-L36 PolarHBondContact O-N 3.15Å; L33-L37 HydrophobicContact CD1-CD1 4.26Å; L33-L37 HydrophobicContact CD1-CG 4.16Å; L33-L37 HydrophobicContact CG-CD1 4.09Å; L33-L37 HydrophobicContact CG-CG 4.39Å; L33-L37 VanDerWaalsContact O-CG 3.24Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.77Å; L33-M58 HydrophobicContact CD2-SD 3.54Å; L33-M58 VanDerWaalsContact CD2-SD 3.54Å; L33-L61 HydrophobicContact CD2-CD1 4.06Å
34K89.1Confident89.4Confident88 Ų8863.5 Ų63.538%0.38332%0.317SS..Hα-helixtrans-57.2-48.9175.7-174.4176.3-177.9171.80111.9K30 S31 E32 L36 L37 H38 M45 L54K30-K34 WeakPolarHBondContact O-CB 2.68Å; K30-K34 PolarHBondContact O-N 2.81Å; K30-K34 VanDerWaalsContact O-N 3.08Å; S31-K34 WeakPolarHBondContact O-CB 3.41Å; S31-K34 PolarHBondContact O-N 2.82Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.46Å; K34-L36 VanDerWaalsContact C-N 3.35Å; K34-L37 PolarHBondContact O-N 2.94Å; K34-H38 WeakPolarHBondContact O-CB 3.47Å; K34-H38 PolarHBondContact O-N 3.2Å; K34-M45 HydrophobicContact CG-CE 4.01Å; K34-L54 HydrophobicContact CB-CD1 4.46Å; K34-L54 HydrophobicContact CB-CD2 3.66Å; K34-L54 HydrophobicContact CD-CD2 3.63Å; K34-L54 HydrophobicContact CG-CD2 3.61Å
35D92.1Very high89Confident67 Ų6761.6 Ų61.636%0.35831%0.306SS..Hα-helixtrans-64.4-41.5-179.9-69.9-8.1000111.1Y18 R21 S31 E32 L33 H38 D39Y18-D35 HydrophobicContact CD1-CB 3.94Å; Y18-D35 HydrophobicContact CE1-CB 3.85Å; R21-D35 IonicContact NH1-OD2 3.59Å; R21-D35 PolarHBondContact NH1-OD2 3.45Å; S31-D35 PolarHBondContact O-N 2.78Å; S31-D35 VanDerWaalsContact O-N 3.09Å; E32-D35 PolarHBondContact O-N 2.89Å; L33-D35 VanDerWaalsContact C-N 3.35Å; L33-D35 PolarHBondContact O-N 3.4Å; D35-H38 PolarHBondContact O-N 2.95Å; D35-D39 WeakPolarHBondContact O-CB 3.31Å; D35-D39 VanDerWaalsContact O-CG 3.26Å; D35-D39 PolarHBondContact O-N 3.29Å
36L93.3Very high88.3Confident2 Ų258.2 Ų58.21%0.0130%0.302CS..Hα-helixtrans-58.3-51.1176.1-175.2159.7000110.8V14 Y18 L28 E32 L33 K34 H38 D39 E40 F74V14-L36 HydrophobicContact CG1-CD1 4.13Å; V14-L36 HydrophobicContact CG1-CG 4.2Å; Y18-L36 HydrophobicContact CD1-CB 3.83Å; Y18-L36 HydrophobicContact CD2-CB 3.88Å; Y18-L36 HydrophobicContact CD2-CD1 3.92Å; Y18-L36 HydrophobicContact CD2-CG 3.84Å; Y18-L36 HydrophobicContact CE1-CB 4.18Å; Y18-L36 HydrophobicContact CE2-CB 4.27Å; Y18-L36 HydrophobicContact CE2-CG 4.21Å; Y18-L36 HydrophobicContact CG-CB 3.7Å; Y18-L36 HydrophobicContact CG-CD1 4.16Å; Y18-L36 HydrophobicContact CG-CG 4.14Å; L28-L36 HydrophobicContact CD1-CD1 3.91Å; E32-L36 WeakPolarHBondContact O-CB 3.44Å; E32-L36 PolarHBondContact O-N 2.75Å; L33-L36 PolarHBondContact O-N 3.15Å; K34-L36 VanDerWaalsContact C-N 3.35Å; L36-H38 VanDerWaalsContact C-N 3.3Å; L36-H38 PolarHBondContact O-N 3.4Å; L36-D39 PolarHBondContact O-N 3.29Å; L36-E40 HydrophobicContact CG-CG 4.47Å; L36-E40 VanDerWaalsContact O-CB 3.31Å; L36-E40 WeakPolarHBondContact O-CB 3.48Å; L36-E40 PolarHBondContact O-N 3.19Å; L36-F74 HydrophobicContact CD1-CE2 3.82Å; L36-F74 HydrophobicContact CD1-CZ 4.07Å; L36-F74 HydrophobicContact CD2-CE2 3.87Å; L36-F74 HydrophobicContact CD2-CZ 4.3Å
37L88.8Confident87.2Confident3 Ų359 Ų592%0.01631%0.305CS..Hα-helixtrans-63.1-38.4-179.6-65.9175.3000111.7L33 K34 L41 M45 L54 L57 F77L33-L37 HydrophobicContact CD1-CD1 4.26Å; L33-L37 HydrophobicContact CD1-CG 4.16Å; L33-L37 HydrophobicContact CG-CD1 4.09Å; L33-L37 HydrophobicContact CG-CG 4.39Å; L33-L37 VanDerWaalsContact O-CG 3.24Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.77Å; K34-L37 PolarHBondContact O-N 2.94Å; L37-L41 HydrophobicContact CD2-CD1 3.9Å; L37-L41 CarbonylContact O-C 3.47Å; L37-L41 WeakPolarHBondContact O-CA 3.33Å; L37-L41 PolarHBondContact O-N 3.02Å; L37-L41 VanDerWaalsContact O-N 3.15Å; L37-L41 VanDerWaalsContact O-O 3.06Å; L37-M45 HydrophobicContact CB-CE 3.9Å; L37-M45 HydrophobicContact CB-CG 3.81Å; L37-M45 HydrophobicContact CD1-CE 4.45Å; L37-L54 HydrophobicContact CD1-CD1 3.95Å; L37-L57 HydrophobicContact CD1-CD2 3.46Å; L37-L57 VanDerWaalsContact CD1-CD2 3.46Å; L37-F77 HydrophobicContact CD2-CE1 3.61Å; L37-F77 HydrophobicContact CD2-CZ 3.47Å; L37-F77 VanDerWaalsContact CD2-CZ 3.47Å
38H88.3Confident85.9Confident120 Ų12058.3 Ų58.356%0.55630%0.304SS*.Hα-helixtrans-67.8-42.7179.6179.7-85.1000112.5K34 D35 L36 M45K34-H38 WeakPolarHBondContact O-CB 3.47Å; K34-H38 PolarHBondContact O-N 3.2Å; D35-H38 PolarHBondContact O-N 2.95Å; L36-H38 VanDerWaalsContact C-N 3.3Å; L36-H38 PolarHBondContact O-N 3.4Å; H38-M45 HydrophobicContact CB-CG 4.45Å
39D91.5Very high84.6Confident81 Ų8166.9 Ų66.943%0.43334%0.342SS..Hα-helixtrans-85.8-39.8-173.1-67.4-13.5000113.1Y18 D35 L36Y18-D39 WeakPolarHBondContact OH-CB 3.34Å; Y18-D39 PolarHBondContact OH-OD2 3.33Å; D35-D39 WeakPolarHBondContact O-CB 3.31Å; D35-D39 VanDerWaalsContact O-CG 3.26Å; D35-D39 PolarHBondContact O-N 3.29Å; L36-D39 PolarHBondContact O-N 3.29Å
40E92.4Very high83.9Confident74 Ų7467.7 Ų67.735%0.34635%0.349SS..Hα-helixtrans-100.6-21.8-171.2-52.7-71.9171.500112.1V14 K17 Y18 L36 P42V14-E40 HydrophobicContact CG1-CB 4.47Å; V14-E40 HydrophobicContact CG1-CG 3.78Å; K17-E40 IonicContact NZ-OE1 2.98Å; K17-E40 PolarHBondContact NZ-OE1 2.94Å; Y18-E40 HydrophobicContact CE2-CG 3.73Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.21Å; Y18-E40 PolarHBondContact OH-OE1 3.36Å; L36-E40 HydrophobicContact CG-CG 4.47Å; L36-E40 VanDerWaalsContact O-CB 3.31Å; L36-E40 WeakPolarHBondContact O-CB 3.48Å; L36-E40 PolarHBondContact O-N 3.19Å; E40-P42 VanDerWaalsContact C-CD 3.45Å
41L87.6Confident83.5Confident56 Ų5668.5 Ų68.529%0.29335%0.354SS..  trans-132.153.7-179-62.9172.6000112.6L37 D43 L44 M45 F77L37-L41 HydrophobicContact CD2-CD1 3.9Å; L37-L41 CarbonylContact O-C 3.47Å; L37-L41 WeakPolarHBondContact O-CA 3.33Å; L37-L41 PolarHBondContact O-N 3.02Å; L37-L41 VanDerWaalsContact O-N 3.15Å; L37-L41 VanDerWaalsContact O-O 3.06Å; L41-D43 VanDerWaalsContact C-N 3.3Å; L41-D43 PolarHBondContact O-N 3.48Å; L41-L44 HydrophobicContact CB-CB 4.05Å; L41-L44 HydrophobicContact CB-CD2 4.42Å; L41-L44 HydrophobicContact CD1-CD2 4.04Å; L41-L44 WeakPolarHBondContact O-CB 3.47Å; L41-L44 PolarHBondContact O-N 2.92Å; L41-L44 VanDerWaalsContact O-N 3.09Å; L41-M45 PolarHBondContact O-N 3.47Å; L41-F77 HydrophobicContact CD1-CE1 3.75Å; L41-F77 HydrophobicContact CD1-CZ 4.07Å
42P85.2Confident83.2Confident72 Ų7270.2 Ų70.247%0.46837%0.366SS..Hα-helixtrans-60.1-35.9-172.424.6-35.2000113.7E40 M45 A46E40-P42 VanDerWaalsContact C-CD 3.45Å; P42-M45 PolarHBondContact O-N 2.88Å; P42-A46 PolarHBondContact O-N 3.4Å
43D81.4Confident82.7Confident135 Ų13573 Ų7372%0.72238%0.383SS*.Hα-helixtrans-68-37178.4-64.9-40.6000111.8L41 A46 H47L41-D43 VanDerWaalsContact C-N 3.3Å; L41-D43 PolarHBondContact O-N 3.48Å; D43-A46 WeakPolarHBondContact O-CB 3.35Å; D43-A46 PolarHBondContact O-N 3.16Å; D43-H47 PolarHBondContact O-CD2 3.11Å; D43-H47 VanDerWaalsContact O-CD2 3.29Å
44L76.4Confident82.4Confident63 Ų6373.1 Ų73.133%0.3338%0.384SS..Hα-helixtrans-68-41.7173.3-173.266.9000110.8L41 A46 H47 F77 V81L41-L44 HydrophobicContact CB-CB 4.05Å; L41-L44 HydrophobicContact CB-CD2 4.42Å; L41-L44 HydrophobicContact CD1-CD2 4.04Å; L41-L44 WeakPolarHBondContact O-CB 3.47Å; L41-L44 PolarHBondContact O-N 2.92Å; L41-L44 VanDerWaalsContact O-N 3.09Å; L44-A46 PolarHBondContact O-N 3.37Å; L44-H47 WeakPolarHBondContact O-CB 3.15Å; L44-H47 PolarHBondContact O-N 3.38Å; L44-H47 VanDerWaalsContact O-N 3.1Å; L44-F77 HydrophobicContact CD2-CE2 4.09Å; L44-F77 HydrophobicContact CD2-CZ 3.51Å; L44-V81 HydrophobicContact CD2-CG2 3.99Å
45M77.2Confident82.3Confident27 Ų2771.1 Ų71.113%0.13338%0.377CS..Hα-helixtrans-64.6-26.5176.4-111.2-75.6-175.800113.1K34 L37 H38 L41 P42 H47 V48 L54K34-M45 HydrophobicContact CG-CE 4.01Å; L37-M45 HydrophobicContact CB-CE 3.9Å; L37-M45 HydrophobicContact CB-CG 3.81Å; L37-M45 HydrophobicContact CD1-CE 4.45Å; H38-M45 HydrophobicContact CB-CG 4.45Å; L41-M45 PolarHBondContact O-N 3.47Å; P42-M45 PolarHBondContact O-N 2.88Å; M45-H47 PolarHBondContact O-N 2.89Å; M45-H47 VanDerWaalsContact O-N 3.08Å; M45-V48 CarbonylContact O-C 3.53Å; M45-V48 PolarHBondContact O-N 3.31Å; M45-V48 HydrophobicContact SD-CB 4.01Å; M45-V48 HydrophobicContact SD-CG1 4.27Å; M45-L54 HydrophobicContact CE-CD1 4.38Å
46A74.5Confident82.1Confident55 Ų5569.5 Ų69.546%0.45538%0.376SS..THydrogen-bonded Turntrans-58.7-23.4173.300000112.8P42 D43 L44 K49P42-A46 PolarHBondContact O-N 3.4Å; D43-A46 WeakPolarHBondContact O-CB 3.35Å; D43-A46 PolarHBondContact O-N 3.16Å; L44-A46 PolarHBondContact O-N 3.37Å; A46-K49 WeakPolarHBondContact O-CE 3.38Å
47H68.3Low81.8Confident158 Ų15870.9 Ų70.973%0.73138%0.384SS*.THydrogen-bonded Turntrans-91.6-17.4174.4-62.2-75000113.7D43 L44 M45 K49D43-H47 PolarHBondContact O-CD2 3.11Å; D43-H47 VanDerWaalsContact O-CD2 3.29Å; L44-H47 WeakPolarHBondContact O-CB 3.15Å; L44-H47 PolarHBondContact O-N 3.38Å; L44-H47 VanDerWaalsContact O-N 3.1Å; M45-H47 PolarHBondContact O-N 2.89Å; M45-H47 VanDerWaalsContact O-N 3.08Å; H47-K49 PolarHBondContact O-N 3.43Å
48V67.9Low81.7Confident27 Ų2771.2 Ų71.216%0.16439%0.385CS..  trans-97.681.3177.2-176.80000109.3M45 T53 L54M45-V48 CarbonylContact O-C 3.53Å; M45-V48 PolarHBondContact O-N 3.31Å; M45-V48 HydrophobicContact SD-CB 4.01Å; M45-V48 HydrophobicContact SD-CG1 4.27Å; V48-T53 HydrophobicContact CB-CG2 4.43Å; V48-T53 HydrophobicContact CG1-CG2 3.93Å; V48-T53 HydrophobicContact CG2-CG2 4.29Å; V48-L54 HydrophobicContact CG1-CB 4.27Å
49K65.9Low81.8Confident181 Ų18172.7 Ų72.779%0.78739%0.392SS*.  trans-89.9-14-170-67.3-172.9179.6179.80115.2A46 H47A46-K49 WeakPolarHBondContact O-CE 3.38Å; H47-K49 PolarHBondContact O-N 3.43Å
50D79.1Confident81.7Confident79 Ų7972.7 Ų72.742%0.42240%0.399SS..SBendtrans-135154-173.157.6-97.5000112.8S52 T53 L54D50-S52 PolarHBondContact O-N 2.86Å; D50-S52 WeakPolarHBondContact OD2-CB 3.31Å; D50-S52 PolarHBondContact OD2-N 3.24Å; D50-T53 VanDerWaalsContact CG-OG1 3.27Å; D50-T53 PolarHBondContact O-N 2.92Å; D50-T53 PolarHBondContact OD1-OG1 3.42Å; D50-T53 WeakPolarHBondContact OD2-CB 3.35Å; D50-T53 PolarHBondContact OD2-N 3.44Å; D50-T53 PolarHBondContact OD2-OG1 3.34Å; D50-L54 PolarHBondContact O-N 2.95Å
51Q79.7Confident81.6Confident92 Ų9269.8 Ų69.843%0.4339%0.386SS..Hα-helixtrans-59-35.3179.6-169.662.455.200110.9T53 L54 D55Q51-T53 VanDerWaalsContact C-N 3.31Å; Q51-T53 PolarHBondContact O-N 3.34Å; Q51-L54 PolarHBondContact O-N 2.91Å; Q51-D55 PolarHBondContact NE2-OD1 3.45Å; Q51-D55 WeakPolarHBondContact O-CB 3.38Å; Q51-D55 PolarHBondContact O-N 3.13Å
52S84.8Confident81.8Confident90 Ų9068.4 Ų68.463%0.62938%0.379SS*.Hα-helixtrans-62.1-36.8179.1-173.90000113D50 D55 G56D50-S52 PolarHBondContact O-N 2.86Å; D50-S52 WeakPolarHBondContact OD2-CB 3.31Å; D50-S52 PolarHBondContact OD2-N 3.24Å; S52-D55 PolarHBondContact O-N 3.14Å; S52-G56 PolarHBondContact O-N 3.29Å
53T83.1Confident82.1Confident61 Ų6169.3 Ų69.337%0.37439%0.392SS..Hα-helixtrans-70.8-40.2178.2-57.40000111V48 D50 Q51 D55 G56 L57V48-T53 HydrophobicContact CB-CG2 4.43Å; V48-T53 HydrophobicContact CG1-CG2 3.93Å; V48-T53 HydrophobicContact CG2-CG2 4.29Å; D50-T53 VanDerWaalsContact CG-OG1 3.27Å; D50-T53 PolarHBondContact O-N 2.92Å; D50-T53 PolarHBondContact OD1-OG1 3.42Å; D50-T53 WeakPolarHBondContact OD2-CB 3.35Å; D50-T53 PolarHBondContact OD2-N 3.44Å; D50-T53 PolarHBondContact OD2-OG1 3.34Å; Q51-T53 VanDerWaalsContact C-N 3.31Å; Q51-T53 PolarHBondContact O-N 3.34Å; T53-D55 VanDerWaalsContact C-N 3.32Å; T53-G56 PolarHBondContact O-N 3.05Å; T53-L57 WeakPolarHBondContact O-CB 3.45Å; T53-L57 PolarHBondContact O-N 2.94Å
54L83.9Confident82.6Confident5 Ų567.1 Ų67.13%0.02638%0.38CS..Hα-helixtrans-65.4-37.8173.7-179.568000111.8K34 L37 M45 V48 D50 Q51 L57 M58K34-L54 HydrophobicContact CB-CD1 4.46Å; K34-L54 HydrophobicContact CB-CD2 3.66Å; K34-L54 HydrophobicContact CD-CD2 3.63Å; K34-L54 HydrophobicContact CG-CD2 3.61Å; L37-L54 HydrophobicContact CD1-CD1 3.95Å; M45-L54 HydrophobicContact CE-CD1 4.38Å; V48-L54 HydrophobicContact CG1-CB 4.27Å; D50-L54 PolarHBondContact O-N 2.95Å; Q51-L54 PolarHBondContact O-N 2.91Å; L54-L57 PolarHBondContact O-N 3.39Å; L54-M58 PolarHBondContact O-N 2.99Å
55D86.8Confident83.3Confident45 Ų4566.8 Ų66.824%0.24139%0.392CS..Hα-helixtrans-63.1-48.5175.9-67.114.6000110.4K30 Q51 S52 T53 L57 M58 E59K30-D55 WeakPolarHBondContact CE-OD1 3.42Å; K30-D55 IonicContact NZ-OD1 3.93Å; K30-D55 PolarHBondContact NZ-OD1 3.05Å; K30-D55 IonicContact NZ-OD2 3.1Å; K30-D55 PolarHBondContact NZ-OD2 3.06Å; Q51-D55 PolarHBondContact NE2-OD1 3.45Å; Q51-D55 WeakPolarHBondContact O-CB 3.38Å; Q51-D55 PolarHBondContact O-N 3.13Å; S52-D55 PolarHBondContact O-N 3.14Å; T53-D55 VanDerWaalsContact C-N 3.32Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 3.49Å; D55-M58 WeakPolarHBondContact O-CB 3.41Å; D55-M58 PolarHBondContact O-N 2.85Å; D55-E59 WeakPolarHBondContact O-CG 3.33Å; D55-E59 PolarHBondContact O-N 2.66Å
56G87.9Confident83.9Confident33 Ų3368.3 Ų68.334%0.3440%0.401SS..Hα-helixtrans-64-35.1175.500000113.2S52 T53 E59 S60S52-G56 PolarHBondContact O-N 3.29Å; T53-G56 PolarHBondContact O-N 3.05Å; G56-E59 PolarHBondContact O-N 3.22Å; G56-S60 WeakPolarHBondContact O-CB 3.33Å; G56-S60 PolarHBondContact O-N 3.05Å
57L86.6Confident84.7Confident32 Ų3269.9 Ų69.917%0.16841%0.409CS..Hα-helixtrans-62.3-50.7172.2177.860.8000110.5L37 T53 L54 D55 E59 S60 L61 F77L37-L57 HydrophobicContact CD1-CD2 3.46Å; L37-L57 VanDerWaalsContact CD1-CD2 3.46Å; T53-L57 WeakPolarHBondContact O-CB 3.45Å; T53-L57 PolarHBondContact O-N 2.94Å; L54-L57 PolarHBondContact O-N 3.39Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 3.49Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 3.01Å; L57-S60 PolarHBondContact O-N 3.22Å; L57-S60 PolarHBondContact O-OG 2.92Å; L57-L61 HydrophobicContact CD1-CD1 4.19Å; L57-L61 HydrophobicContact CD1-CD2 4.47Å; L57-L61 HydrophobicContact CD1-CG 4.17Å; L57-L61 HydrophobicContact CG-CD1 4.27Å; L57-L61 WeakPolarHBondContact O-CG 3.35Å; L57-L61 PolarHBondContact O-N 2.89Å; L57-F77 HydrophobicContact CD1-CD2 4.14Å; L57-F77 HydrophobicContact CD1-CE2 4.13Å; L57-F77 HydrophobicContact CD2-CE2 4.4Å
58M87.9Confident85.8Confident9 Ų964.2 Ų64.24%0.04438%0.383CS..Hα-helixtrans-55.7-48176.6-170.372.3-17300111.4K30 L33 L54 D55 S60 L61 D62 S67 C69K30-M58 HydrophobicContact CB-CG 4.45Å; K30-M58 HydrophobicContact CB-SD 4.4Å; L33-M58 HydrophobicContact CD2-SD 3.54Å; L33-M58 VanDerWaalsContact CD2-SD 3.54Å; L54-M58 PolarHBondContact O-N 2.99Å; D55-M58 WeakPolarHBondContact O-CB 3.41Å; D55-M58 PolarHBondContact O-N 2.85Å; M58-S60 PolarHBondContact O-N 3.29Å; M58-L61 PolarHBondContact O-N 2.91Å; M58-D62 VanDerWaalsContact O-CB 3.31Å; M58-D62 WeakPolarHBondContact O-CB 3.36Å; M58-D62 PolarHBondContact O-N 3.24Å; M58-S67 VanDerWaalsContact CE-O 3.32Å; M58-S67 WeakPolarHBondContact CE-O 3.21Å; M58-C69 HydrophobicContact CE-CB 3.88Å; M58-C69 HydrophobicContact SD-CB 4.27Å
59E90.6Very high87.1Confident151 Ų15163 Ų6371%0.70638%0.375SS*.Hα-helixtrans-60.3-32.5176.7-73.7175.9-174.400112.8D55 G56 L57 L61D55-E59 WeakPolarHBondContact O-CG 3.33Å; D55-E59 PolarHBondContact O-N 2.66Å; G56-E59 PolarHBondContact O-N 3.22Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 3.01Å; E59-L61 VanDerWaalsContact C-N 3.35Å
60S88.8Confident88.5Confident82 Ų8255.9 Ų55.957%0.57335%0.346SS*.Hα-helixtrans-75.3-23.7175.975.10000113.9G56 L57 M58G56-S60 WeakPolarHBondContact O-CB 3.33Å; G56-S60 PolarHBondContact O-N 3.05Å; L57-S60 PolarHBondContact O-N 3.22Å; L57-S60 PolarHBondContact O-OG 2.92Å; M58-S60 PolarHBondContact O-N 3.29Å
61L90.4Very high89.3Confident13 Ų1355.7 Ų55.77%0.06834%0.341CS..Hα-helixtrans-90.9-36.3179.4-62-174.5000111.7L33 L57 M58 E59 A63 E73 F77L33-L61 HydrophobicContact CD2-CD1 4.06Å; L57-L61 HydrophobicContact CD1-CD1 4.19Å; L57-L61 HydrophobicContact CD1-CD2 4.47Å; L57-L61 HydrophobicContact CD1-CG 4.17Å; L57-L61 HydrophobicContact CG-CD1 4.27Å; L57-L61 WeakPolarHBondContact O-CG 3.35Å; L57-L61 PolarHBondContact O-N 2.89Å; M58-L61 PolarHBondContact O-N 2.91Å; E59-L61 VanDerWaalsContact C-N 3.35Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 3.09Å; L61-E73 WeakPolarHBondContact O-CB 3.34Å; L61-E73 WeakPolarHBondContact O-CG 3.42Å; L61-F77 HydrophobicContact CD1-CB 4.02Å; L61-F77 HydrophobicContact CD1-CD2 4.39Å; L61-F77 HydrophobicContact CD1-CG 4.22Å; L61-F77 HydrophobicContact CD2-CB 3.62Å; L61-F77 HydrophobicContact CD2-CD2 4.34Å; L61-F77 HydrophobicContact CD2-CG 4.36Å; L61-F77 HydrophobicContact CG-CB 4.48Å
62D92.2Very high90Very high27 Ų2758.7 Ų58.714%0.14436%0.355CS..  trans-69.682.2178.2178.918.1000110.8M58 G65 D66 S67M58-D62 VanDerWaalsContact O-CB 3.31Å; M58-D62 WeakPolarHBondContact O-CB 3.36Å; M58-D62 PolarHBondContact O-N 3.24Å; D62-G65 WeakPolarHBondContact OD1-CA 3.31Å; D62-G65 PolarHBondContact OD1-N 3.24Å; D62-G65 WeakPolarHBondContact OD2-CA 3.48Å; D62-D66 PolarHBondContact OD1-N 3.3Å; D62-D66 PolarHBondContact OD2-N 2.93Å; D62-S67 WeakPolarHBondContact OD2-CA 3.05Å; D62-S67 PolarHBondContact OD2-N 3.39Å
63A90.7Very high90.5Very high91 Ų9155 Ų5575%0.75233%0.328SS*.SBendtrans-83.4-26.4-175.900000111.8L61 E73L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 3.09Å; A63-E73 HydrophobicContact CB-CG 4.37Å; A63-E73 PolarHBondContact N-OE1 3.18Å
64D91.7Very high91Very high88 Ų8852.4 Ų52.447%0.47131%0.312SS..SBendtrans-88.3-12.417775.119.3000113.8K27 D66 E73K27-D64 IonicContact NZ-OD2 3.85Å; D64-D66 VanDerWaalsContact OD1-CB 3.31Å; D64-D66 WeakPolarHBondContact OD1-CB 3.4Å; D64-D66 PolarHBondContact OD1-N 2.97Å; D64-E73 PolarHBondContact N-OE1 3.49Å
65G90.4Very high91.5Very high56 Ų5655 Ų5558%0.57732%0.324SS*.SBendtrans80.924.5171.500000113.7D62D62-G65 WeakPolarHBondContact OD1-CA 3.31Å; D62-G65 PolarHBondContact OD1-N 3.24Å; D62-G65 WeakPolarHBondContact OD2-CA 3.48Å
66D91.4Very high91.8Very high59 Ų5956.7 Ų56.732%0.31634%0.337SS..SBendtrans-94.31.7-177.686.2-15.2000114.4K27 D62 D64 E68K27-D66 WeakPolarHBondContact CD-OD2 3.45Å; K27-D66 IonicContact NZ-OD2 3.4Å; K27-D66 PolarHBondContact NZ-OD2 3.34Å; D62-D66 PolarHBondContact OD1-N 3.3Å; D62-D66 PolarHBondContact OD2-N 2.93Å; D64-D66 VanDerWaalsContact OD1-CB 3.31Å; D64-D66 WeakPolarHBondContact OD1-CB 3.4Å; D64-D66 PolarHBondContact OD1-N 2.97Å; D66-E68 PolarHBondContact O-N 3.08Å; D66-E68 WeakPolarHBondContact OD1-CA 3.05Å; D66-E68 WeakPolarHBondContact OD1-CB 3.37Å; D66-E68 PolarHBondContact OD1-N 3.1Å
67S90.3Very high91.9Very high89 Ų8955.9 Ų55.962%0.62232%0.324SS*.SBendtrans64.616.4-177.9-520000114.8M58 D62M58-S67 VanDerWaalsContact CE-O 3.32Å; M58-S67 WeakPolarHBondContact CE-O 3.21Å; D62-S67 WeakPolarHBondContact OD2-CA 3.05Å; D62-S67 PolarHBondContact OD2-N 3.39Å
68E92.7Very high92.2Very high39 Ų3955.6 Ų55.618%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-122.1170.7169.6-57.9-169.7145.500109.2K27 L28 K29 D66K27-E68 HydrophobicContact CB-CB 3.8Å; K27-E68 HydrophobicContact CD-CB 3.93Å; K27-E68 WeakPolarHBondContact CD-OE2 3.46Å; L28-E68 CarbonylContact O-C 3.05Å; L28-E68 WeakPolarHBondContact O-CA 3.44Å; K29-E68 WeakPolarHBondContact CE-OE1 3.35Å; K29-E68 HydrophobicContact CG-CG 4.31Å; K29-E68 WeakPolarHBondContact CG-OE1 3.49Å; D66-E68 PolarHBondContact O-N 3.08Å; D66-E68 WeakPolarHBondContact OD1-CA 3.05Å; D66-E68 WeakPolarHBondContact OD1-CB 3.37Å; D66-E68 PolarHBondContact OD1-N 3.1Å
69C94.3Very high92.3Very high0 Ų058 Ų580%034%0.341CS..EExtended strand (participates in β ladder)trans-125.1106.6-178.8178.10000109.1K27 L28 M58 E73K27-C69 CarbonylContact C-O 3.54Å; K27-C69 WeakPolarHBondContact CA-O 3.27Å; L28-C69 HydrophobicContact CB-CB 4.21Å; L28-C69 PolarHBondContact N-O 3.19Å; L28-C69 PolarHBondContact O-N 2.92Å; M58-C69 HydrophobicContact CE-CB 3.88Å; M58-C69 HydrophobicContact SD-CB 4.27Å; C69-E73 WeakPolarHBondContact CA-OE2 3.33Å
70N95.3Very high92.2Very high33 Ų3354.8 Ų54.818%0.17633%0.331CS..EExtended strand (participates in β ladder)trans-76.5171.2177.670.355.6000111.7K27 Q72 E73 F74K27-N70 HydrophobicContact CD-CB 4.41Å; K27-N70 HydrophobicContact CG-CB 4.11Å; N70-Q72 VanDerWaalsContact C-N 3.26Å; N70-Q72 PolarHBondContact O-N 2.96Å; N70-Q72 WeakPolarHBondContact OD1-CA 3.28Å; N70-Q72 VanDerWaalsContact OD1-CB 3.31Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.45Å; N70-Q72 PolarHBondContact OD1-N 2.87Å; N70-E73 PolarHBondContact N-OE2 2.79Å; N70-E73 PolarHBondContact ND2-OE1 3.45Å; N70-E73 PolarHBondContact ND2-OE2 2.8Å; N70-E73 PolarHBondContact O-N 3.29Å; N70-E73 PolarHBondContact OD1-N 3.35Å; N70-E73 VanDerWaalsContact OD1-N 3.11Å; N70-F74 PolarHBondContact O-N 2.96Å
71F94.9Very high92Very high75 Ų7552.2 Ų52.233%0.32931%0.312SS..Hα-helixtrans-60.4-32.7-176.6-174.1-109.2000113.8I12 F15 F74 M75I12-F71 HydrophobicContact CG1-CE2 4.2Å; I12-F71 HydrophobicContact CG1-CZ 3.75Å; F15-F71 HydrophobicContact CB-CD2 4Å; F15-F71 HydrophobicContact CB-CE2 4.11Å; F15-F71 HydrophobicContact CD1-CB 4.43Å; F15-F71 AromaticContact CD1-CD2 3.74Å; F15-F71 HydrophobicContact CD1-CD2 3.74Å; F15-F71 AromaticContact CD2-CD2 3.95Å; F15-F71 HydrophobicContact CD2-CD2 3.95Å; F15-F71 HydrophobicContact CE1-CB 4.01Å; F15-F71 HydrophobicContact CE1-CD2 4.18Å; F15-F71 HydrophobicContact CE2-CB 4.38Å; F15-F71 HydrophobicContact CE2-CD2 4.36Å; F15-F71 AromaticContact CG-CD2 3.62Å; F15-F71 HydrophobicContact CG-CD2 3.62Å; F15-F71 HydrophobicContact CG-CE2 4.23Å; F15-F71 HydrophobicContact CZ-CB 3.99Å; F15-F71 HydrophobicContact CZ-CD2 4.47Å; F71-F74 HydrophobicContact CD2-CD1 4.34Å; F71-F74 HydrophobicContact CE2-CD1 4.35Å; F71-M75 HydrophobicContact CD1-CG 4.11Å; F71-M75 HydrophobicContact CE1-CG 3.65Å; F71-M75 HydrophobicContact CE1-SD 4.3Å; F71-M75 HydrophobicContact CE2-CG 4.14Å; F71-M75 HydrophobicContact CE2-SD 4.23Å; F71-M75 HydrophobicContact CZ-CG 3.67Å; F71-M75 HydrophobicContact CZ-SD 3.77Å; F71-M75 WeakPolarHBondContact O-CB 3.32Å; F71-M75 WeakPolarHBondContact O-CG 3.37Å; F71-M75 PolarHBondContact O-N 3.08Å
72Q94.9Very high92Very high155 Ų15555.7 Ų55.772%0.72433%0.334SS*.Hα-helixtrans-69.6-41.1179.4-172.7-177.2-67.300111.4N70 M75 T76N70-Q72 VanDerWaalsContact C-N 3.26Å; N70-Q72 PolarHBondContact O-N 2.96Å; N70-Q72 WeakPolarHBondContact OD1-CA 3.28Å; N70-Q72 VanDerWaalsContact OD1-CB 3.31Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.45Å; N70-Q72 PolarHBondContact OD1-N 2.87Å; Q72-M75 PolarHBondContact O-N 3.48Å; Q72-T76 PolarHBondContact O-N 3.25Å; Q72-T76 PolarHBondContact O-OG1 2.76Å
73E94.9Very high91.7Very high11 Ų1158.2 Ų58.25%0.05135%0.35CS..Hα-helixtrans-65.2-44.2176-68.1166.5158.700110.8L61 A63 D64 C69 N70 M75 T76 F77L61-E73 WeakPolarHBondContact O-CB 3.34Å; L61-E73 WeakPolarHBondContact O-CG 3.42Å; A63-E73 HydrophobicContact CB-CG 4.37Å; A63-E73 PolarHBondContact N-OE1 3.18Å; D64-E73 PolarHBondContact N-OE1 3.49Å; C69-E73 WeakPolarHBondContact CA-OE2 3.33Å; N70-E73 PolarHBondContact N-OE2 2.79Å; N70-E73 PolarHBondContact ND2-OE1 3.45Å; N70-E73 PolarHBondContact ND2-OE2 2.8Å; N70-E73 PolarHBondContact O-N 3.29Å; N70-E73 PolarHBondContact OD1-N 3.35Å; N70-E73 VanDerWaalsContact OD1-N 3.11Å; E73-M75 PolarHBondContact O-N 2.95Å; E73-T76 WeakPolarHBondContact O-CB 3.43Å; E73-T76 PolarHBondContact O-N 2.88Å; E73-T76 VanDerWaalsContact O-N 3.14Å; E73-F77 PolarHBondContact O-N 3.36Å; E73-F77 VanDerWaalsContact O-N 3.13Å
74F94Very high91.2Very high8 Ų856.2 Ų56.24%0.03533%0.33CS..Hα-helixtrans-60-41.6172.6177.3-107.3000112.7I11 F15 L28 L36 N70 F71 T76 F77 V78I11-F74 HydrophobicContact CG2-CE1 3.99Å; F15-F74 HydrophobicContact CB-CD1 4.18Å; F15-F74 HydrophobicContact CB-CE1 4.08Å; F15-F74 HydrophobicContact CD2-CB 3.82Å; F15-F74 AromaticContact CD2-CD1 3.56Å; F15-F74 HydrophobicContact CD2-CD1 3.56Å; F15-F74 HydrophobicContact CD2-CD2 4.32Å; F15-F74 HydrophobicContact CD2-CE1 4.18Å; F15-F74 AromaticContact CD2-CG 3.63Å; F15-F74 HydrophobicContact CD2-CG 3.63Å; F15-F74 HydrophobicContact CE2-CB 3.79Å; F15-F74 HydrophobicContact CE2-CD1 4.39Å; F15-F74 HydrophobicContact CE2-CG 4.11Å; F15-F74 HydrophobicContact CG-CD1 4.25Å; L28-F74 HydrophobicContact CD1-CD2 4.18Å; L36-F74 HydrophobicContact CD1-CE2 3.82Å; L36-F74 HydrophobicContact CD1-CZ 4.07Å; L36-F74 HydrophobicContact CD2-CE2 3.87Å; L36-F74 HydrophobicContact CD2-CZ 4.3Å; N70-F74 PolarHBondContact O-N 2.96Å; F71-F74 HydrophobicContact CD2-CD1 4.34Å; F71-F74 HydrophobicContact CE2-CD1 4.35Å; F74-T76 VanDerWaalsContact C-N 3.27Å; F74-T76 PolarHBondContact O-N 3.13Å; F74-F77 HydrophobicContact CD2-CD1 4.38Å; F74-F77 HydrophobicContact CE2-CD1 4.29Å; F74-F77 VanDerWaalsContact O-CB 3.31Å; F74-F77 WeakPolarHBondContact O-CB 3.26Å; F74-F77 PolarHBondContact O-N 3.31Å; F74-V78 HydrophobicContact CD1-CG2 4.19Å; F74-V78 HydrophobicContact CE1-CG2 3.72Å; F74-V78 HydrophobicContact CE2-CG2 4.08Å; F74-V78 HydrophobicContact CZ-CG2 3.66Å; F74-V78 WeakPolarHBondContact O-CG2 3.44Å; F74-V78 PolarHBondContact O-N 3.38Å
75M94.9Very high90.7Very high58 Ų5854.6 Ų54.629%0.28633%0.325SS..Hα-helixtrans-65.9-30.8176.3-78.4-56.6-51.500112.9I11 F71 Q72 E73 V78 S79I11-M75 HydrophobicContact CG2-SD 3.61Å; F71-M75 HydrophobicContact CD1-CG 4.11Å; F71-M75 HydrophobicContact CE1-CG 3.65Å; F71-M75 HydrophobicContact CE1-SD 4.3Å; F71-M75 HydrophobicContact CE2-CG 4.14Å; F71-M75 HydrophobicContact CE2-SD 4.23Å; F71-M75 HydrophobicContact CZ-CG 3.67Å; F71-M75 HydrophobicContact CZ-SD 3.77Å; F71-M75 WeakPolarHBondContact O-CB 3.32Å; F71-M75 WeakPolarHBondContact O-CG 3.37Å; F71-M75 PolarHBondContact O-N 3.08Å; Q72-M75 PolarHBondContact O-N 3.48Å; E73-M75 PolarHBondContact O-N 2.95Å; M75-V78 PolarHBondContact O-N 3.29Å; M75-S79 WeakPolarHBondContact O-CB 3.41Å; M75-S79 PolarHBondContact O-N 3.11Å; M75-S79 PolarHBondContact O-OG 3.26Å
76T92.1Very high90.1Very high82 Ų8257.2 Ų57.250%0.50332%0.322SS..Hα-helixtrans-63.4-46.1173.2-57.20000110Q72 E73 F74 S79 V80Q72-T76 PolarHBondContact O-N 3.25Å; Q72-T76 PolarHBondContact O-OG1 2.76Å; E73-T76 WeakPolarHBondContact O-CB 3.43Å; E73-T76 PolarHBondContact O-N 2.88Å; E73-T76 VanDerWaalsContact O-N 3.14Å; F74-T76 VanDerWaalsContact C-N 3.27Å; F74-T76 PolarHBondContact O-N 3.13Å; T76-S79 PolarHBondContact O-N 3.21Å; T76-V80 WeakPolarHBondContact O-CG2 3.31Å; T76-V80 PolarHBondContact O-N 3.03Å
77F90.8Very high89.3Confident16 Ų1659.8 Ų59.87%0.0733%0.332CS..Hα-helixtrans-56.8-52.8172.6171.5-109.3000112.9L37 L41 L44 L57 L61 E73 F74 S79 V80 V81L37-F77 HydrophobicContact CD2-CE1 3.61Å; L37-F77 HydrophobicContact CD2-CZ 3.47Å; L37-F77 VanDerWaalsContact CD2-CZ 3.47Å; L41-F77 HydrophobicContact CD1-CE1 3.75Å; L41-F77 HydrophobicContact CD1-CZ 4.07Å; L44-F77 HydrophobicContact CD2-CE2 4.09Å; L44-F77 HydrophobicContact CD2-CZ 3.51Å; L57-F77 HydrophobicContact CD1-CD2 4.14Å; L57-F77 HydrophobicContact CD1-CE2 4.13Å; L57-F77 HydrophobicContact CD2-CE2 4.4Å; L61-F77 HydrophobicContact CD1-CB 4.02Å; L61-F77 HydrophobicContact CD1-CD2 4.39Å; L61-F77 HydrophobicContact CD1-CG 4.22Å; L61-F77 HydrophobicContact CD2-CB 3.62Å; L61-F77 HydrophobicContact CD2-CD2 4.34Å; L61-F77 HydrophobicContact CD2-CG 4.36Å; L61-F77 HydrophobicContact CG-CB 4.48Å; E73-F77 PolarHBondContact O-N 3.36Å; E73-F77 VanDerWaalsContact O-N 3.13Å; F74-F77 HydrophobicContact CD2-CD1 4.38Å; F74-F77 HydrophobicContact CE2-CD1 4.29Å; F74-F77 VanDerWaalsContact O-CB 3.31Å; F74-F77 WeakPolarHBondContact O-CB 3.26Å; F74-F77 PolarHBondContact O-N 3.31Å; F77-S79 PolarHBondContact O-N 2.72Å; F77-V80 PolarHBondContact O-N 2.95Å; F77-V80 VanDerWaalsContact O-N 3.11Å; F77-V81 HydrophobicContact CD2-CG2 4.01Å; F77-V81 HydrophobicContact CE1-CG2 4.15Å; F77-V81 HydrophobicContact CE2-CG2 3.56Å; F77-V81 HydrophobicContact CG-CG2 4.48Å; F77-V81 HydrophobicContact CZ-CG2 3.65Å; F77-V81 WeakPolarHBondContact O-CG2 3.47Å; F77-V81 PolarHBondContact O-N 3.27Å
78V92.1Very high88Confident26 Ų2662.7 Ų62.716%0.15833%0.334CS..Hα-helixtrans-57.1-40179.5171.80000111I11 F74 M75 T82I11-V78 HydrophobicContact CD1-CG1 4.38Å; F74-V78 HydrophobicContact CD1-CG2 4.19Å; F74-V78 HydrophobicContact CE1-CG2 3.72Å; F74-V78 HydrophobicContact CE2-CG2 4.08Å; F74-V78 HydrophobicContact CZ-CG2 3.66Å; F74-V78 WeakPolarHBondContact O-CG2 3.44Å; F74-V78 PolarHBondContact O-N 3.38Å; M75-V78 PolarHBondContact O-N 3.29Å; V78-T82 VanDerWaalsContact O-CB 3.3Å; V78-T82 WeakPolarHBondContact O-CB 3.34Å; V78-T82 PolarHBondContact O-N 2.89Å; V78-T82 PolarHBondContact O-OG1 3.47Å
79S91.4Very high86.3Confident60 Ų6067.6 Ų67.642%0.4236%0.355SS..Hα-helixtrans-64.1-45.7177.6-57.20000111.7M75 T76 F77 T82 V83M75-S79 WeakPolarHBondContact O-CB 3.41Å; M75-S79 PolarHBondContact O-N 3.11Å; M75-S79 PolarHBondContact O-OG 3.26Å; T76-S79 PolarHBondContact O-N 3.21Å; F77-S79 PolarHBondContact O-N 2.72Å; S79-T82 PolarHBondContact O-N 2.83Å; S79-V83 WeakPolarHBondContact O-CG2 3.3Å; S79-V83 PolarHBondContact O-N 2.92Å
80V87.7Confident84.4Confident83 Ų8373.5 Ų73.550%0.50338%0.382SS..Hα-helixtrans-61.6-48.8177171.80000110.9T76 F77 T82 V83 C84T76-V80 WeakPolarHBondContact O-CG2 3.31Å; T76-V80 PolarHBondContact O-N 3.03Å; F77-V80 PolarHBondContact O-N 2.95Å; F77-V80 VanDerWaalsContact O-N 3.11Å; V80-T82 VanDerWaalsContact C-N 3.3Å; V80-T82 PolarHBondContact O-N 3.35Å; V80-V83 PolarHBondContact O-N 2.89Å; V80-C84 PolarHBondContact O-N 3.46Å; V80-C84 PolarHBondContact O-SG 2.9Å; V80-C84 VanDerWaalsContact O-SG 3.34Å
81V85.4Confident82.3Confident28 Ų2878.8 Ų78.817%0.1741%0.406CS..Hα-helixtrans-59.3-43.3177.7173.10000110.8L44 F77 V83 C84 C85L44-V81 HydrophobicContact CD2-CG2 3.99Å; F77-V81 HydrophobicContact CD2-CG2 4.01Å; F77-V81 HydrophobicContact CE1-CG2 4.15Å; F77-V81 HydrophobicContact CE2-CG2 3.56Å; F77-V81 HydrophobicContact CG-CG2 4.48Å; F77-V81 HydrophobicContact CZ-CG2 3.65Å; F77-V81 WeakPolarHBondContact O-CG2 3.47Å; F77-V81 PolarHBondContact O-N 3.27Å; V81-V83 PolarHBondContact O-N 2.68Å; V81-C84 PolarHBondContact O-N 3.38Å; V81-C85 WeakPolarHBondContact O-CB 2.98Å; V81-C85 PolarHBondContact O-N 3.34Å; V81-C85 PolarHBondContact O-SG 2.97Å
82T88.9Confident80Confident85 Ų8582.9 Ų82.952%0.52143%0.426SS..Hα-helixtrans-62.1-43.6178.7-57.40000111.7V78 S79 V80 C85 H86V78-T82 VanDerWaalsContact O-CB 3.3Å; V78-T82 WeakPolarHBondContact O-CB 3.34Å; V78-T82 PolarHBondContact O-N 2.89Å; V78-T82 PolarHBondContact O-OG1 3.47Å; S79-T82 PolarHBondContact O-N 2.83Å; V80-T82 VanDerWaalsContact C-N 3.3Å; V80-T82 PolarHBondContact O-N 3.35Å; T82-C85 PolarHBondContact O-N 3.44Å; T82-H86 WeakPolarHBondContact O-CB 3.37Å; T82-H86 PolarHBondContact O-N 3.24Å
83V86.4Confident77.5Confident81 Ų8184.3 Ų84.349%0.49143%0.433SS..Hα-helixtrans-64.5-47.1176.5171.40000110.8S79 V80 V81 C85 H86 E87S79-V83 WeakPolarHBondContact O-CG2 3.3Å; S79-V83 PolarHBondContact O-N 2.92Å; V80-V83 PolarHBondContact O-N 2.89Å; V81-V83 PolarHBondContact O-N 2.68Å; V83-C85 PolarHBondContact O-N 3.48Å; V83-H86 WeakPolarHBondContact O-CB 3.09Å; V83-H86 PolarHBondContact O-N 2.96Å; V83-H86 VanDerWaalsContact O-N 3.16Å; V83-E87 PolarHBondContact O-N 3.23Å
84C81.1Confident74.9Confident49 Ų4995.4 Ų95.433%0.33148%0.484SS..Hα-helixtrans-58.5-48.3176.3-69.10000111.2V80 V81 H86 E87 F88V80-C84 PolarHBondContact O-N 3.46Å; V80-C84 PolarHBondContact O-SG 2.9Å; V80-C84 VanDerWaalsContact O-SG 3.34Å; V81-C84 PolarHBondContact O-N 3.38Å; C84-H86 VanDerWaalsContact C-N 3.3Å; C84-H86 PolarHBondContact O-N 3.34Å; C84-E87 PolarHBondContact O-N 3.39Å; C84-F88 HydrophobicContact CB-CD2 4.46Å; C84-F88 WeakPolarHBondContact O-CD2 3.39Å; C84-F88 PolarHBondContact O-N 3.16Å
85C80.1Confident73.9Confident54 Ų5499.8 Ų99.837%0.36551%0.507SS..Hα-helixtrans-58.4-43.1176.3-72.20000111.5V81 T82 V83 E87 F88 F89V81-C85 WeakPolarHBondContact O-CB 2.98Å; V81-C85 PolarHBondContact O-N 3.34Å; V81-C85 PolarHBondContact O-SG 2.97Å; T82-C85 PolarHBondContact O-N 3.44Å; V83-C85 PolarHBondContact O-N 3.48Å; C85-E87 PolarHBondContact O-N 2.88Å; C85-F88 PolarHBondContact O-N 3.23Å; C85-F89 HydrophobicContact CB-CD2 4.28Å; C85-F89 HydrophobicContact CB-CE2 4.16Å; C85-F89 WeakPolarHBondContact O-CD2 3.39Å; C85-F89 PolarHBondContact O-N 2.89Å
86H78.6Confident72.8Confident110 Ų110101.9 Ų101.951%0.50952%0.519SS..Hα-helixtrans-59.3-45.5177.1-174.731.4000111.9T82 V83 C84 F89 E90T82-H86 WeakPolarHBondContact O-CB 3.37Å; T82-H86 PolarHBondContact O-N 3.24Å; V83-H86 WeakPolarHBondContact O-CB 3.09Å; V83-H86 PolarHBondContact O-N 2.96Å; V83-H86 VanDerWaalsContact O-N 3.16Å; C84-H86 VanDerWaalsContact C-N 3.3Å; C84-H86 PolarHBondContact O-N 3.34Å; H86-F89 PolarHBondContact O-N 3.29Å; H86-E90 IonicContact CE1-OE1 3.65Å; H86-E90 PolarHBondContact CE1-OE1 3.5Å; H86-E90 IonicContact ND1-OE1 2.69Å; H86-E90 IonicContact NE2-OE1 2.52Å; H86-E90 PolarHBondContact NE2-OE1 3.37Å; H86-E90 WeakPolarHBondContact O-CG 3.45Å; H86-E90 PolarHBondContact O-N 3.1Å
87E74.5Confident71.7Confident113 Ų113103.1 Ų103.153%0.52852%0.519SS..Hα-helixtrans-63.3-40.6174.9-68.7179.2166.600112.2V83 C84 C85 E90 H91V83-E87 PolarHBondContact O-N 3.23Å; C84-E87 PolarHBondContact O-N 3.39Å; C85-E87 PolarHBondContact O-N 2.88Å; E87-E90 PolarHBondContact O-N 3.25Å; E87-H91 PolarHBondContact O-CD2 2.98Å; E87-H91 VanDerWaalsContact O-CD2 3.25Å; E87-H91 PolarHBondContact O-N 3.25Å
88F63.9Low70.6Confident151 Ų151108.2 Ų108.266%0.66255%0.546SS*.Hα-helixtrans-64-40.8176.3-84.8-70.7000112.3C84 C85 H91 E92C84-F88 HydrophobicContact CB-CD2 4.46Å; C84-F88 WeakPolarHBondContact O-CD2 3.39Å; C84-F88 PolarHBondContact O-N 3.16Å; C85-F88 PolarHBondContact O-N 3.23Å; F88-H91 PolarHBondContact O-N 3.36Å; F88-E92 PolarHBondContact O-N 3.42Å
89F55.1Low69.3Low142 Ų142113.3 Ų113.362%0.62357%0.57SS**Hα-helixtrans-74.5-26177.8-73-62.4000113.1C85 H86 H91C85-F89 HydrophobicContact CB-CD2 4.28Å; C85-F89 HydrophobicContact CB-CE2 4.16Å; C85-F89 WeakPolarHBondContact O-CD2 3.39Å; C85-F89 PolarHBondContact O-N 2.89Å; H86-F89 PolarHBondContact O-N 3.29Å; F89-H91 VanDerWaalsContact C-N 3.26Å; F89-H91 PolarHBondContact O-N 3.4Å
90E55Low67.8Low123 Ų123116.9 Ų116.958%0.57558%0.58SS**Hα-helixtrans-70.7-22.5170.5-75.3-172.6161.500112.7H86 E87H86-E90 IonicContact CE1-OE1 3.65Å; H86-E90 PolarHBondContact CE1-OE1 3.5Å; H86-E90 IonicContact ND1-OE1 2.69Å; H86-E90 IonicContact NE2-OE1 2.52Å; H86-E90 PolarHBondContact NE2-OE1 3.37Å; H86-E90 WeakPolarHBondContact O-CG 3.45Å; H86-E90 PolarHBondContact O-N 3.1Å; E87-E90 PolarHBondContact O-N 3.25Å
91H51Low66.4Low144 Ų144119.3 Ų119.367%0.66759%0.586SS**SBendtrans-94.4-7.3-179.9-83.6-62.8000115.5E87 F88 F89E87-H91 PolarHBondContact O-CD2 2.98Å; E87-H91 VanDerWaalsContact O-CD2 3.25Å; E87-H91 PolarHBondContact O-N 3.25Å; F88-H91 PolarHBondContact O-N 3.36Å; F89-H91 VanDerWaalsContact C-N 3.26Å; F89-H91 PolarHBondContact O-N 3.4Å
92E46.3Very low64.9Low161 Ų161126.3 Ų126.375%0.75262%0.618SS**THydrogen-bonded Turntrans-85.6-2.1174.6-75.3-157.8159.800114F88F88-E92 PolarHBondContact O-N 3.42Å
93E43.9Very low62.9Low185 Ų185129.8 Ų129.886%0.86463%0.626SS**THydrogen-bonded Turntrans-93.98.9175.6-71.5-158.9171.200115.2
94E39.2Very low60.8Low244 Ų244134.2 Ų134.2100%1.1464%0.638SS**  trans-105.90171.2-77.8-16816100114.8

Retrieved 94 of 94 residues in 34.5 ms (Link to these results)

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