A0A077ZMT0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZMT0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 151 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
1M53.1Low70Confident244 Ų24485.6 Ų85.6100%1.20241%0.411SS*.  0115.40-166.9171.4-173.700106.6
2M61Low70.1Confident116 Ų11689.3 Ų89.357%0.57142%0.424SS*.  trans-71.3130.1178.9-169.8174.4-157.600108.8V6 R7 I10M2-V6 HydrophobicContact CE-CG1 3.79Å; M2-R7 HydrophobicContact SD-CB 4.43Å; M2-I10 HydrophobicContact CE-CD1 3.26Å
3D74.1Confident70.5Confident34 Ų3494.2 Ų94.218%0.18245%0.454CS..  trans-61.2139.3-178.5177.6-93.3000111.3L5 V6 R7 Y34 P36D3-L5 VanDerWaalsContact C-N 3.33Å; D3-L5 PolarHBondContact O-N 2.95Å; D3-L5 WeakPolarHBondContact OD1-CA 3.21Å; D3-L5 VanDerWaalsContact OD1-CB 3.23Å; D3-L5 WeakPolarHBondContact OD1-CB 3.1Å; D3-L5 PolarHBondContact OD1-N 2.82Å; D3-V6 HydrophobicContact CB-CB 4.27Å; D3-V6 HydrophobicContact CB-CG2 3.84Å; D3-V6 PolarHBondContact O-N 2.94Å; D3-V6 VanDerWaalsContact O-N 3.15Å; D3-V6 PolarHBondContact OD1-N 3.39Å; D3-R7 PolarHBondContact O-N 3.24Å; D3-Y34 WeakPolarHBondContact OD2-CE1 3.28Å; D3-P36 VanDerWaalsContact OD2-CA 3.28Å; D3-P36 WeakPolarHBondContact OD2-CA 3.31Å; D3-P36 WeakPolarHBondContact OD2-CB 3.49Å; D3-P36 WeakPolarHBondContact OD2-CG 3.44Å
4L73.3Confident70.8Confident49 Ų4994.4 Ų94.426%0.25745%0.452SS..Hα-helixtrans-63.5-39.1-173.7-177.965.7000111.7V6 R7 I8 L21 Y34 I40L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 PolarHBondContact O-N 2.82Å; L4-R7 PolarHBondContact O-N 3.25Å; L4-I8 HydrophobicContact CD1-CD1 3.85Å; L4-I8 HydrophobicContact CD1-CG1 4.18Å; L4-I8 HydrophobicContact CD2-CD1 4.11Å; L4-I8 HydrophobicContact CG-CD1 3.57Å; L4-I8 HydrophobicContact CG-CG1 4.35Å; L4-I8 WeakPolarHBondContact O-CB 3.3Å; L4-I8 VanDerWaalsContact O-CD1 3.32Å; L4-I8 WeakPolarHBondContact O-CD1 3.23Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.37Å; L4-I8 PolarHBondContact O-N 2.77Å; L4-L21 HydrophobicContact CB-CD2 4.22Å; L4-L21 HydrophobicContact CD2-CD2 3.56Å; L4-L21 HydrophobicContact CG-CD2 3.74Å; L4-Y34 HydrophobicContact CB-CD1 4.47Å; L4-Y34 HydrophobicContact CB-CE1 3.72Å; L4-Y34 HydrophobicContact CB-CE2 4.44Å; L4-I40 HydrophobicContact CB-CD1 3.85Å; L4-I40 HydrophobicContact CD2-CD1 3.28Å; L4-I40 HydrophobicContact CG-CD1 4.1Å
5L76Confident71.2Confident26 Ų2693.6 Ų93.614%0.13645%0.452CS..Hα-helixtrans-60.9-46175.4169.171.2000109.7D3 R7 I8 C9 P16 M19 L21 Y34 L50D3-L5 VanDerWaalsContact C-N 3.33Å; D3-L5 PolarHBondContact O-N 2.95Å; D3-L5 WeakPolarHBondContact OD1-CA 3.21Å; D3-L5 VanDerWaalsContact OD1-CB 3.23Å; D3-L5 WeakPolarHBondContact OD1-CB 3.1Å; D3-L5 PolarHBondContact OD1-N 2.82Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 2.71Å; L5-I8 PolarHBondContact O-N 3.28Å; L5-C9 VanDerWaalsContact CD1-SG 3.58Å; L5-C9 WeakPolarHBondContact O-CB 3.49Å; L5-C9 PolarHBondContact O-N 2.99Å; L5-C9 PolarHBondContact O-SG 3.07Å; L5-P16 HydrophobicContact CG-CB 4.44Å; L5-M19 HydrophobicContact CD1-CB 3.94Å; L5-M19 WeakPolarHBondContact CD2-O 3.47Å; L5-L21 HydrophobicContact CB-CB 4.14Å; L5-L21 HydrophobicContact CD1-CB 3.84Å; L5-Y34 HydrophobicContact CB-CD1 4.32Å; L5-L50 HydrophobicContact CD1-CD1 3.73Å
6V75.3Confident71.4Confident45 Ų4590.3 Ų90.327%0.27344%0.44SS..Hα-helixtrans-60.9-44.6179.1-176.20000110.9M2 D3 L4 C9 I10 P16M2-V6 HydrophobicContact CE-CG1 3.79Å; D3-V6 HydrophobicContact CB-CB 4.27Å; D3-V6 HydrophobicContact CB-CG2 3.84Å; D3-V6 PolarHBondContact O-N 2.94Å; D3-V6 VanDerWaalsContact O-N 3.15Å; D3-V6 PolarHBondContact OD1-N 3.39Å; L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 PolarHBondContact O-N 2.82Å; V6-C9 PolarHBondContact O-N 3.3Å; V6-I10 HydrophobicContact CG1-CD1 3.79Å; V6-I10 HydrophobicContact CG1-CG1 4.49Å; V6-I10 WeakPolarHBondContact O-CB 3.4Å; V6-I10 VanDerWaalsContact O-CG1 3.31Å; V6-I10 WeakPolarHBondContact O-CG1 3.25Å; V6-I10 PolarHBondContact O-N 3.35Å; V6-P16 HydrophobicContact CG2-CB 4.25Å
7R70.5Confident71.9Confident169 Ų16987.5 Ų87.564%0.63844%0.44SS*.Hα-helixtrans-62.2-46.5179.4-169.8176.8-178.4-175.8-0.2112.1M2 D3 L4 L5 I10 E11M2-R7 HydrophobicContact SD-CB 4.43Å; D3-R7 PolarHBondContact O-N 3.24Å; L4-R7 PolarHBondContact O-N 3.25Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 2.71Å; R7-I10 PolarHBondContact O-N 2.82Å; R7-E11 WeakPolarHBondContact O-CB 3.12Å; R7-E11 PolarHBondContact O-N 2.95Å
8I71.5Confident72.2Confident16 Ų1688.1 Ų88.18%0.08244%0.441CS..Hα-helixtrans-64.9-45.5177.3-67.2159.6000110.3L4 L5 I10 E11 F12 L21 I48 L50L4-I8 HydrophobicContact CD1-CD1 3.85Å; L4-I8 HydrophobicContact CD1-CG1 4.18Å; L4-I8 HydrophobicContact CD2-CD1 4.11Å; L4-I8 HydrophobicContact CG-CD1 3.57Å; L4-I8 HydrophobicContact CG-CG1 4.35Å; L4-I8 WeakPolarHBondContact O-CB 3.3Å; L4-I8 VanDerWaalsContact O-CD1 3.32Å; L4-I8 WeakPolarHBondContact O-CD1 3.23Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.37Å; L4-I8 PolarHBondContact O-N 2.77Å; L5-I8 PolarHBondContact O-N 3.28Å; I8-I10 VanDerWaalsContact C-N 3.3Å; I8-I10 PolarHBondContact O-N 3.09Å; I8-E11 WeakPolarHBondContact O-CB 3.28Å; I8-E11 PolarHBondContact O-N 3.22Å; I8-F12 HydrophobicContact CG2-CD2 3.61Å; I8-F12 HydrophobicContact CG2-CE2 3.88Å; I8-F12 WeakPolarHBondContact O-CD2 3.32Å; I8-F12 PolarHBondContact O-N 2.95Å; I8-L21 HydrophobicContact CD1-CD1 3.61Å; I8-L21 HydrophobicContact CD1-CD2 3.6Å; I8-L21 HydrophobicContact CD1-CG 4.26Å; I8-I48 HydrophobicContact CD1-CD1 3.31Å; I8-I48 HydrophobicContact CG1-CD1 3.86Å; I8-I48 HydrophobicContact CG2-CD1 4.04Å; I8-L50 HydrophobicContact CG2-CD1 3.9Å
9C72.3Confident72.3Confident0 Ų084.3 Ų84.30%042%0.422CS..Hα-helixtrans-59.7-41.2178.6-79.20000112L5 V6 F12 N13 F14 P16L5-C9 VanDerWaalsContact CD1-SG 3.58Å; L5-C9 WeakPolarHBondContact O-CB 3.49Å; L5-C9 PolarHBondContact O-N 2.99Å; L5-C9 PolarHBondContact O-SG 3.07Å; V6-C9 PolarHBondContact O-N 3.3Å; C9-F12 CarbonylContact O-C 3.42Å; C9-F12 PolarHBondContact O-N 3.03Å; C9-N13 CarbonylContact O-C 3.52Å; C9-N13 WeakPolarHBondContact O-CA 3.31Å; C9-N13 PolarHBondContact O-N 2.81Å; C9-F14 HydrophobicContact CB-CB 4.28Å; C9-F14 WeakPolarHBondContact CB-O 3.5Å; C9-F14 PolarHBondContact O-N 3.37Å; C9-P16 HydrophobicContact CB-CB 3.84Å; C9-P16 HydrophobicContact CB-CG 4.33Å
10I72.3Confident72.4Confident96 Ų9680.4 Ų80.449%0.49240%0.403SS..Hα-helixtrans-65-45.8174.7-71.3166.6000111.1M2 V6 R7 I8 F12 N13M2-I10 HydrophobicContact CE-CD1 3.26Å; V6-I10 HydrophobicContact CG1-CD1 3.79Å; V6-I10 HydrophobicContact CG1-CG1 4.49Å; V6-I10 WeakPolarHBondContact O-CB 3.4Å; V6-I10 VanDerWaalsContact O-CG1 3.31Å; V6-I10 WeakPolarHBondContact O-CG1 3.25Å; V6-I10 PolarHBondContact O-N 3.35Å; R7-I10 PolarHBondContact O-N 2.82Å; I8-I10 VanDerWaalsContact C-N 3.3Å; I8-I10 PolarHBondContact O-N 3.09Å; I10-F12 PolarHBondContact O-N 2.81Å; I10-N13 PolarHBondContact O-N 3Å
11E71.1Confident72.5Confident147 Ų14776.6 Ų76.669%0.68738%0.384SS*.Hα-helixtrans-56.8-38.9178.7-167.572.5-167.600112.2R7 I8R7-E11 WeakPolarHBondContact O-CB 3.12Å; R7-E11 PolarHBondContact O-N 2.95Å; I8-E11 WeakPolarHBondContact O-CB 3.28Å; I8-E11 PolarHBondContact O-N 3.22Å
12F70.6Confident73.5Confident129 Ų12966.2 Ų66.257%0.56633%0.333SS*.THydrogen-bonded Turntrans-10212.1-177.2-65.6-73.6000114.3I8 C9 I10 F14I8-F12 HydrophobicContact CG2-CD2 3.61Å; I8-F12 HydrophobicContact CG2-CE2 3.88Å; I8-F12 WeakPolarHBondContact O-CD2 3.32Å; I8-F12 PolarHBondContact O-N 2.95Å; C9-F12 CarbonylContact O-C 3.42Å; C9-F12 PolarHBondContact O-N 3.03Å; I10-F12 PolarHBondContact O-N 2.81Å; F12-F14 VanDerWaalsContact C-N 3.31Å; F12-F14 HydrophobicContact CB-CD2 3.56Å; F12-F14 HydrophobicContact CB-CE2 3.69Å; F12-F14 PolarHBondContact O-N 2.93Å
13N75.2Confident73.7Confident153 Ų15361 Ų6182%0.81831%0.308SS*.THydrogen-bonded Turntrans53.939-178.7-66.3-51.8000115.2C9 I10C9-N13 CarbonylContact O-C 3.52Å; C9-N13 WeakPolarHBondContact O-CA 3.31Å; C9-N13 PolarHBondContact O-N 2.81Å; I10-N13 PolarHBondContact O-N 3Å
14F74.9Confident73.1Confident97 Ų9761.3 Ų61.343%0.42531%0.312SS..  trans-101.6152.6172.2-67.7-60.9000112.2C9 F12 P16 M19 L50C9-F14 HydrophobicContact CB-CB 4.28Å; C9-F14 WeakPolarHBondContact CB-O 3.5Å; C9-F14 PolarHBondContact O-N 3.37Å; F12-F14 VanDerWaalsContact C-N 3.31Å; F12-F14 HydrophobicContact CB-CD2 3.56Å; F12-F14 HydrophobicContact CB-CE2 3.69Å; F12-F14 PolarHBondContact O-N 2.93Å; F14-P16 VanDerWaalsContact O-CD 3.27Å; F14-P16 WeakPolarHBondContact O-CD 3.3Å; F14-M19 HydrophobicContact CB-CE 3.91Å; F14-M19 HydrophobicContact CB-CG 4.09Å; F14-M19 HydrophobicContact CD1-CE 3.26Å; F14-M19 HydrophobicContact CD2-CE 4.23Å; F14-M19 HydrophobicContact CE1-CE 3.73Å; F14-M19 HydrophobicContact CG-CE 3.55Å; F14-M19 HydrophobicContact CZ-CE 4.38Å; F14-L50 HydrophobicContact CB-CD2 4.17Å; F14-L50 HydrophobicContact CD2-CD2 3.23Å; F14-L50 HydrophobicContact CE2-CD2 3.72Å; F14-L50 HydrophobicContact CG-CD2 3.85Å
15N76.4Confident72.5Confident83 Ų8360 Ų6044%0.44431%0.308SS..  trans-76.2113.8169.6-174.8-6.8000109.9G17 E18 M19N15-G17 PolarHBondContact O-N 3.47Å; N15-G17 VanDerWaalsContact O-N 3.17Å; N15-G17 PolarHBondContact OD1-N 3.46Å; N15-E18 HydrophobicContact CB-CB 4.31Å; N15-E18 HydrophobicContact CB-CG 4.21Å; N15-E18 PolarHBondContact ND2-OE1 2.92Å; N15-E18 PolarHBondContact O-N 3.32Å; N15-M19 WeakPolarHBondContact O-CG 3.3Å; N15-M19 PolarHBondContact O-N 3.17Å
16P75.6Confident71.5Confident40 Ų4065.3 Ų65.326%0.2633%0.332SS..G310 helixtrans-62.8-22.8177.625.9-33.4000112.7L5 V6 C9 F14 E18 M19L5-P16 HydrophobicContact CG-CB 4.44Å; V6-P16 HydrophobicContact CG2-CB 4.25Å; C9-P16 HydrophobicContact CB-CB 3.84Å; C9-P16 HydrophobicContact CB-CG 4.33Å; F14-P16 VanDerWaalsContact O-CD 3.27Å; F14-P16 WeakPolarHBondContact O-CD 3.3Å; P16-E18 PolarHBondContact O-N 2.99Å; P16-M19 PolarHBondContact O-N 2.77Å
17G78.7Confident70.2Confident44 Ų4473.9 Ų73.945%0.45436%0.359SS..G310 helixtrans-62.9-25.8172.800000113.5N15 K53N15-G17 PolarHBondContact O-N 3.47Å; N15-G17 VanDerWaalsContact O-N 3.17Å; N15-G17 PolarHBondContact OD1-N 3.46Å; G17-K53 VanDerWaalsContact O-CD 3.28Å; G17-K53 WeakPolarHBondContact O-CD 3.48Å; G17-K53 VanDerWaalsContact O-CE 3.25Å; G17-K53 WeakPolarHBondContact O-CE 3.46Å; G17-K53 PolarHBondContact O-NZ 3.37Å
18E78.5Confident69.1Low98 Ų9874.5 Ų74.546%0.45836%0.363SS..G310 helixtrans-104.9-2.7-175.5-68.2168.8-150.600113N15 P16 P52 K53N15-E18 HydrophobicContact CB-CB 4.31Å; N15-E18 HydrophobicContact CB-CG 4.21Å; N15-E18 PolarHBondContact ND2-OE1 2.92Å; N15-E18 PolarHBondContact O-N 3.32Å; P16-E18 PolarHBondContact O-N 2.99Å; E18-P52 CarbonylContact O-C 3.55Å; E18-P52 VanDerWaalsContact O-CA 3.22Å; E18-P52 WeakPolarHBondContact O-CA 3.27Å; E18-K53 PolarHBondContact O-N 3.39Å
19M73.3Confident68.1Low15 Ų1579.1 Ų79.17%0.07439%0.394CS..EExtended strand (participates in β ladder)trans-116.5154.5-171.2-67.6-63.8-169.600112.6L5 F14 N15 P16 L50 T51 P52 K53L5-M19 HydrophobicContact CD1-CB 3.94Å; L5-M19 WeakPolarHBondContact CD2-O 3.47Å; F14-M19 HydrophobicContact CB-CE 3.91Å; F14-M19 HydrophobicContact CB-CG 4.09Å; F14-M19 HydrophobicContact CD1-CE 3.26Å; F14-M19 HydrophobicContact CD2-CE 4.23Å; F14-M19 HydrophobicContact CE1-CE 3.73Å; F14-M19 HydrophobicContact CG-CE 3.55Å; F14-M19 HydrophobicContact CZ-CE 4.38Å; N15-M19 WeakPolarHBondContact O-CG 3.3Å; N15-M19 PolarHBondContact O-N 3.17Å; P16-M19 PolarHBondContact O-N 2.77Å; M19-L50 HydrophobicContact CB-CD1 4.36Å; M19-L50 HydrophobicContact CB-CD2 4.31Å; M19-L50 HydrophobicContact CB-CG 4.15Å; M19-L50 HydrophobicContact CE-CD2 4.02Å; M19-L50 HydrophobicContact CG-CD2 3.86Å; M19-L50 HydrophobicContact CG-CG 4.18Å; M19-L50 HydrophobicContact SD-CD2 3.88Å; M19-L50 HydrophobicContact SD-CG 4.11Å; M19-T51 CarbonylContact C-O 3.53Å; M19-P52 HydrophobicContact CE-CG 4.17Å; M19-P52 VanDerWaalsContact SD-CA 3.57Å; M19-P52 HydrophobicContact SD-CB 3.92Å; M19-P52 HydrophobicContact SD-CG 3.86Å; M19-K53 WeakPolarHBondContact O-CE 3.47Å
20T75.2Confident67.3Low6 Ų680.7 Ų80.74%0.03741%0.411CS..EExtended strand (participates in β ladder)trans-122.3139167.762.60000107.7L50 T51 K53 V56T20-L50 CarbonylContact O-C 3.53Å; T20-L50 WeakPolarHBondContact O-CA 3.49Å; T20-T51 PolarHBondContact N-O 2.97Å; T20-T51 PolarHBondContact O-N 3.33Å; T20-T51 PolarHBondContact OG1-O 3.49Å; T20-K53 HydrophobicContact CG2-CB 4.5Å; T20-K53 HydrophobicContact CG2-CG 3.51Å; T20-V56 HydrophobicContact CG2-CG2 4.47Å
21L74Confident66.8Low2 Ų281.2 Ų81.21%0.0141%0.407CS..EExtended strand (participates in β ladder)trans-99.2131.2172.2179.170000107L4 L5 I8 Q33 Y34 I48 L50L4-L21 HydrophobicContact CB-CD2 4.22Å; L4-L21 HydrophobicContact CD2-CD2 3.56Å; L4-L21 HydrophobicContact CG-CD2 3.74Å; L5-L21 HydrophobicContact CB-CB 4.14Å; L5-L21 HydrophobicContact CD1-CB 3.84Å; I8-L21 HydrophobicContact CD1-CD1 3.61Å; I8-L21 HydrophobicContact CD1-CD2 3.6Å; I8-L21 HydrophobicContact CD1-CG 4.26Å; L21-Q33 CarbonylContact O-C 3.56Å; L21-Q33 WeakPolarHBondContact O-CA 3.2Å; L21-Y34 HydrophobicContact CB-CD1 4.24Å; L21-Y34 HydrophobicContact CB-CG 4.38Å; L21-Y34 HydrophobicContact CD2-CD1 3.7Å; L21-Y34 HydrophobicContact CD2-CE1 4.4Å; L21-Y34 HydrophobicContact CD2-CG 3.75Å; L21-Y34 HydrophobicContact CG-CD1 4.46Å; L21-Y34 HydrophobicContact CG-CG 4.34Å; L21-Y34 VanDerWaalsContact O-CB 3.24Å; L21-Y34 WeakPolarHBondContact O-CB 3.25Å; L21-Y34 PolarHBondContact O-N 2.92Å; L21-I48 HydrophobicContact CD1-CB 3.9Å; L21-I48 HydrophobicContact CD1-CD1 4.1Å; L21-I48 HydrophobicContact CD1-CG2 4.33Å; L21-L50 HydrophobicContact CD1-CD1 4.24Å
22N73.6Confident66.5Low25 Ų2579.7 Ų79.713%0.13440%0.403CS..EExtended strand (participates in β ladder)trans-119129.5175.2-54.3-69.7000108.7Y31 L32 Q33 K49 T51N22-Y31 HydrophobicContact CB-CD1 4.29Å; N22-Y31 HydrophobicContact CB-CG 4.19Å; N22-Y31 WeakPolarHBondContact O-CD1 2.85Å; N22-L32 CarbonylContact C-O 3.56Å; N22-L32 VanDerWaalsContact CA-O 3.3Å; N22-L32 WeakPolarHBondContact CA-O 3.27Å; N22-Q33 VanDerWaalsContact OD1-CA 3.32Å; N22-Q33 WeakPolarHBondContact OD1-CA 3.48Å; N22-K49 HydrophobicContact CB-CB 4.26Å; N22-K49 PolarHBondContact N-O 3.15Å; N22-K49 PolarHBondContact O-N 2.79Å; N22-T51 PolarHBondContact ND2-OG1 3.46Å
23V66.5Low66.5Low7 Ų778.5 Ų78.54%0.04240%0.399CS..EExtended strand (participates in β ladder)trans-115.3133.6-174.3-150.80000108.1A25 Y31 L32 Y34 M43 C45V23-A25 PolarHBondContact O-N 2.81Å; V23-Y31 CarbonylContact O-C 3.49Å; V23-Y31 VanDerWaalsContact O-CA 3.3Å; V23-Y31 WeakPolarHBondContact O-CA 3.24Å; V23-L32 PolarHBondContact N-O 2.98Å; V23-L32 PolarHBondContact O-N 3.4Å; V23-Y34 HydrophobicContact CG2-CD2 4.17Å; V23-Y34 HydrophobicContact CG2-CG 4.3Å; V23-M43 HydrophobicContact CB-CE 3.8Å; V23-M43 HydrophobicContact CB-SD 4.42Å; V23-M43 HydrophobicContact CG1-CE 3.21Å; V23-M43 HydrophobicContact CG1-SD 3.84Å; V23-C45 HydrophobicContact CG1-CB 4.4Å
24P59.7Low66.2Low41 Ų4172.5 Ų72.527%0.26637%0.365SS..EExtended strand (participates in β ladder)trans-60.6130.9-179.423.4-34.2000110.8G30 Y31 M43 C45 F47P24-G30 WeakPolarHBondContact CA-O 3.49Å; P24-Y31 HydrophobicContact CB-CD1 4.31Å; P24-Y31 HydrophobicContact CB-CE1 4.25Å; P24-Y31 HydrophobicContact CG-CE1 4.45Å; P24-M43 WeakPolarHBondContact O-CE 3.45Å; P24-C45 HydrophobicContact CG-CB 4.43Å; P24-C45 VanDerWaalsContact CG-SG 3.59Å; P24-F47 VanDerWaalsContact CD-O 3.27Å; P24-F47 WeakPolarHBondContact CD-O 3.49Å
25A61.5Low66Low20 Ų2074 Ų7417%0.16537%0.372CS..  trans-81.1126.7177.500000110.8V23 R27 Y28 G30 L32V23-A25 PolarHBondContact O-N 2.81Å; A25-R27 PolarHBondContact O-N 3.39Å; A25-Y28 WeakPolarHBondContact CB-O 3.45Å; A25-G30 PolarHBondContact N-O 3.28Å; A25-L32 HydrophobicContact CB-CD1 3.64Å; A25-L32 HydrophobicContact CB-CG 3.88Å
26E54.3Low65.3Low138 Ų13874.6 Ų74.665%0.64538%0.38SS*.SBendtrans-63.2-26.4178.3-68.5-179.5179.400113.1
27R49.4Very low64.5Low225 Ų22578.8 Ų78.885%0.84941%0.409SS*.SBendtrans-105.1-12.5-173.5-64.6-173.3-178.8-171.80115A25A25-R27 PolarHBondContact O-N 3.39Å
28Y47.3Very low63.4Low182 Ų18279.9 Ų79.971%0.71441%0.407SS*.SBendtrans-137.3134.6-176.8-70.5-82.1000110A25 G30A25-Y28 WeakPolarHBondContact CB-O 3.45Å; Y28-G30 PolarHBondContact O-N 3.44Å
29P50.3Low62.1Low114 Ų11479.5 Ų79.574%0.7442%0.42SS*.SBendtrans-62.7107.5172.825-31.3000109.5
30G55.7Low61Low33 Ų3381.2 Ų81.234%0.3443%0.429SS..SBendtrans155.3178.1179.900000113.4P24 A25 Y28P24-G30 WeakPolarHBondContact CA-O 3.49Å; A25-G30 PolarHBondContact N-O 3.28Å; Y28-G30 PolarHBondContact O-N 3.44Å
31Y62.1Low59.3Low107 Ų10784.7 Ų84.742%0.4247%0.466SS..EExtended strand (participates in β ladder)trans-107.5133.1167.7-61.8-102.4000109.2N22 V23 P24 K49N22-Y31 HydrophobicContact CB-CD1 4.29Å; N22-Y31 HydrophobicContact CB-CG 4.19Å; N22-Y31 WeakPolarHBondContact O-CD1 2.85Å; V23-Y31 CarbonylContact O-C 3.49Å; V23-Y31 VanDerWaalsContact O-CA 3.3Å; V23-Y31 WeakPolarHBondContact O-CA 3.24Å; P24-Y31 HydrophobicContact CB-CD1 4.31Å; P24-Y31 HydrophobicContact CB-CE1 4.25Å; P24-Y31 HydrophobicContact CG-CE1 4.45Å; Y31-K49 HydrophobicContact CD1-CB 4.11Å; Y31-K49 HydrophobicContact CE1-CB 4.02Å
32L64.6Low57.7Low115 Ų11589.9 Ų89.960%0.60250%0.498SS*.EExtended strand (participates in β ladder)trans-89.4135.1168.1-71168.6000108.5N22 V23 A25 Y34N22-L32 CarbonylContact C-O 3.56Å; N22-L32 VanDerWaalsContact CA-O 3.3Å; N22-L32 WeakPolarHBondContact CA-O 3.27Å; V23-L32 PolarHBondContact N-O 2.98Å; V23-L32 PolarHBondContact O-N 3.4Å; A25-L32 HydrophobicContact CB-CD1 3.64Å; A25-L32 HydrophobicContact CB-CG 3.88Å; L32-Y34 PolarHBondContact O-N 3.34Å; L32-Y34 VanDerWaalsContact O-N 3.09Å
33Q69.6Low56.2Low103 Ų10390.8 Ų90.848%0.48150%0.502SS..EExtended strand (participates in β ladder)trans-59.9118.7169-169-17728.200108.3L21 N22 K35L21-Q33 CarbonylContact O-C 3.56Å; L21-Q33 WeakPolarHBondContact O-CA 3.2Å; N22-Q33 VanDerWaalsContact OD1-CA 3.32Å; N22-Q33 WeakPolarHBondContact OD1-CA 3.48Å; Q33-K35 PolarHBondContact O-N 3.1Å
34Y69.9Low55Low27 Ų27100 Ų10011%0.10654%0.542CS..PPolyproline II helixtrans-57.6123.7170.7178.7-113.2000108.6D3 L4 L5 L21 V23 L32 I40D3-Y34 WeakPolarHBondContact OD2-CE1 3.28Å; L4-Y34 HydrophobicContact CB-CD1 4.47Å; L4-Y34 HydrophobicContact CB-CE1 3.72Å; L4-Y34 HydrophobicContact CB-CE2 4.44Å; L5-Y34 HydrophobicContact CB-CD1 4.32Å; L21-Y34 HydrophobicContact CB-CD1 4.24Å; L21-Y34 HydrophobicContact CB-CG 4.38Å; L21-Y34 HydrophobicContact CD2-CD1 3.7Å; L21-Y34 HydrophobicContact CD2-CE1 4.4Å; L21-Y34 HydrophobicContact CD2-CG 3.75Å; L21-Y34 HydrophobicContact CG-CD1 4.46Å; L21-Y34 HydrophobicContact CG-CG 4.34Å; L21-Y34 VanDerWaalsContact O-CB 3.24Å; L21-Y34 WeakPolarHBondContact O-CB 3.25Å; L21-Y34 PolarHBondContact O-N 2.92Å; V23-Y34 HydrophobicContact CG2-CD2 4.17Å; V23-Y34 HydrophobicContact CG2-CG 4.3Å; L32-Y34 PolarHBondContact O-N 3.34Å; L32-Y34 VanDerWaalsContact O-N 3.09Å; Y34-I40 HydrophobicContact CD2-CD1 3.94Å; Y34-I40 HydrophobicContact CD2-CG1 4.24Å; Y34-I40 HydrophobicContact CE2-CD1 3.2Å; Y34-I40 HydrophobicContact CE2-CG1 3.53Å
35K69.6Low54.4Low129 Ų129100 Ų10056%0.56154%0.542SS*.  trans-107143165.5-66.8-176.7178.9-179.80107Q33 C37 T38Q33-K35 PolarHBondContact O-N 3.1Å; K35-C37 PolarHBondContact O-N 2.93Å; K35-T38 VanDerWaalsContact O-CB 3.3Å; K35-T38 WeakPolarHBondContact O-CB 3.32Å; K35-T38 PolarHBondContact O-N 2.93Å; K35-T38 PolarHBondContact O-OG1 2.94Å
36P61.1Low53.9Low95 Ų95106 Ų10662%0.61757%0.572SS**THydrogen-bonded Turntrans-51.2-26.8178-28.433.4000114.3D3D3-P36 VanDerWaalsContact OD2-CA 3.28Å; D3-P36 WeakPolarHBondContact OD2-CA 3.31Å; D3-P36 WeakPolarHBondContact OD2-CB 3.49Å; D3-P36 WeakPolarHBondContact OD2-CG 3.44Å
37C59.5Low53.9Low129 Ų129106.6 Ų106.687%0.87257%0.572SS**THydrogen-bonded Turntrans-83.6-6.6178.3-50.70000114.4K35 A39K35-C37 PolarHBondContact O-N 2.93Å; C37-A39 PolarHBondContact O-N 2.98Å
38T56.1Low54.5Low66 Ų6699.4 Ų99.441%0.40555%0.55SS..SBendtrans-78.5115.3-179.1-55.80000109.5K35 I40K35-T38 VanDerWaalsContact O-CB 3.3Å; K35-T38 WeakPolarHBondContact O-CB 3.32Å; K35-T38 PolarHBondContact O-N 2.93Å; K35-T38 PolarHBondContact O-OG1 2.94Å; T38-I40 WeakPolarHBondContact O-CG1 3.22Å; T38-I40 PolarHBondContact O-N 2.72Å
39A51.5Low55.4Low90 Ų9094.6 Ų94.674%0.74453%0.533SS*.  trans-64.4108.3174.200000110.1C37 G41C37-A39 PolarHBondContact O-N 2.98Å; A39-G41 PolarHBondContact O-N 3.23Å
40I50.2Low56.3Low52 Ų5291.3 Ų91.327%0.26751%0.509SS..  trans-80.71.6177.7-37.4-179.8000111.2L4 Y34 T38 T42 M43L4-I40 HydrophobicContact CB-CD1 3.85Å; L4-I40 HydrophobicContact CD2-CD1 3.28Å; L4-I40 HydrophobicContact CG-CD1 4.1Å; Y34-I40 HydrophobicContact CD2-CD1 3.94Å; Y34-I40 HydrophobicContact CD2-CG1 4.24Å; Y34-I40 HydrophobicContact CE2-CD1 3.2Å; Y34-I40 HydrophobicContact CE2-CG1 3.53Å; T38-I40 WeakPolarHBondContact O-CG1 3.22Å; T38-I40 PolarHBondContact O-N 2.72Å; I40-T42 PolarHBondContact O-N 3.49Å; I40-M43 HydrophobicContact CG2-CB 3.9Å; I40-M43 HydrophobicContact CG2-CG 4.39Å; I40-M43 HydrophobicContact CG2-SD 4.25Å; I40-M43 PolarHBondContact O-N 2.73Å
41G39.4Very low57Low79 Ų7990.9 Ų90.981%0.81450%0.5SS*.THydrogen-bonded Turntrans-61.80-163.800000117.6A39A39-G41 PolarHBondContact O-N 3.23Å
42T39.7Very low57.3Low110 Ų11087.1 Ų87.168%0.67549%0.488SS*.THydrogen-bonded Turntrans-127.8-5.1172.857.10000113.9I40 K44I40-T42 PolarHBondContact O-N 3.49Å; T42-K44 PolarHBondContact O-N 2.82Å; T42-K44 VanDerWaalsContact O-N 3.1Å
43M41.5Very low57.5Low44 Ų4486.2 Ų86.222%0.21748%0.479CS..  trans-83.595.6-171.3-65-174.17800110.5V23 P24 I40 C45V23-M43 HydrophobicContact CB-CE 3.8Å; V23-M43 HydrophobicContact CB-SD 4.42Å; V23-M43 HydrophobicContact CG1-CE 3.21Å; V23-M43 HydrophobicContact CG1-SD 3.84Å; P24-M43 WeakPolarHBondContact O-CE 3.45Å; I40-M43 HydrophobicContact CG2-CB 3.9Å; I40-M43 HydrophobicContact CG2-CG 4.39Å; I40-M43 HydrophobicContact CG2-SD 4.25Å; I40-M43 PolarHBondContact O-N 2.73Å; M43-C45 PolarHBondContact O-N 3.32Å
44K41.2Very low57Low201 Ų20187 Ų8787%0.87448%0.481SS*.  trans-69.281.7159.4-79.6-174176.6-178.70108.1T42T42-K44 PolarHBondContact O-N 2.82Å; T42-K44 VanDerWaalsContact O-N 3.1Å
45C48.5Very low56.2Low42 Ų4293.5 Ų93.528%0.28451%0.507SS..  trans-99.6100.7176.1-70.70000110.2V23 P24 M43 F47V23-C45 HydrophobicContact CG1-CB 4.4Å; P24-C45 HydrophobicContact CG-CB 4.43Å; P24-C45 VanDerWaalsContact CG-SG 3.59Å; M43-C45 PolarHBondContact O-N 3.32Å; C45-F47 PolarHBondContact O-N 2.91Å
46D51.2Low55.4Low146 Ų14690.1 Ų90.178%0.78150%0.497SS*.SBendtrans-65-14.7165.4-60.4-39.3000111.5
47F53Low54.7Low150 Ų15092.6 Ų92.666%0.65851%0.505SS*.  trans-137.6131-176.2-56.5-81.5000112.5P24 C45P24-F47 VanDerWaalsContact CD-O 3.27Å; P24-F47 WeakPolarHBondContact CD-O 3.49Å; C45-F47 PolarHBondContact O-N 2.91Å
48I61.8Low53.9Low73 Ų7394.7 Ų94.737%0.37450%0.502SS..  trans-126149.1170.747160.8000109I8 L21I8-I48 HydrophobicContact CD1-CD1 3.31Å; I8-I48 HydrophobicContact CG1-CD1 3.86Å; I8-I48 HydrophobicContact CG2-CD1 4.04Å; L21-I48 HydrophobicContact CD1-CB 3.9Å; L21-I48 HydrophobicContact CD1-CD1 4.1Å; L21-I48 HydrophobicContact CD1-CG2 4.33Å
49K67.7Low53.2Low82 Ų82100.7 Ų100.736%0.35752%0.522SS..EExtended strand (participates in β ladder)trans-116111.4178-178.7179.3-1801780110.5N22 Y31 T51N22-K49 HydrophobicContact CB-CB 4.26Å; N22-K49 PolarHBondContact N-O 3.15Å; N22-K49 PolarHBondContact O-N 2.79Å; Y31-K49 HydrophobicContact CD1-CB 4.11Å; Y31-K49 HydrophobicContact CE1-CB 4.02Å; K49-T51 WeakPolarHBondContact CE-OG1 3.44Å
50L68.9Low52.5Low45 Ų45104.3 Ų104.324%0.23653%0.526CS..EExtended strand (participates in β ladder)trans-81.7131.5167.8-150.681.9000109L5 I8 F14 M19 T20 L21L5-L50 HydrophobicContact CD1-CD1 3.73Å; I8-L50 HydrophobicContact CG2-CD1 3.9Å; F14-L50 HydrophobicContact CB-CD2 4.17Å; F14-L50 HydrophobicContact CD2-CD2 3.23Å; F14-L50 HydrophobicContact CE2-CD2 3.72Å; F14-L50 HydrophobicContact CG-CD2 3.85Å; M19-L50 HydrophobicContact CB-CD1 4.36Å; M19-L50 HydrophobicContact CB-CD2 4.31Å; M19-L50 HydrophobicContact CB-CG 4.15Å; M19-L50 HydrophobicContact CE-CD2 4.02Å; M19-L50 HydrophobicContact CG-CD2 3.86Å; M19-L50 HydrophobicContact CG-CG 4.18Å; M19-L50 HydrophobicContact SD-CD2 3.88Å; M19-L50 HydrophobicContact SD-CG 4.11Å; T20-L50 CarbonylContact O-C 3.53Å; T20-L50 WeakPolarHBondContact O-CA 3.49Å; L21-L50 HydrophobicContact CD1-CD1 4.24Å
51T69.5Low51.8Low24 Ų24108.5 Ų108.515%0.14755%0.549CS..EExtended strand (participates in β ladder)trans-139.3128.5-179.1-57.90000110M19 T20 N22 K49 K53 V56M19-T51 CarbonylContact C-O 3.53Å; T20-T51 PolarHBondContact N-O 2.97Å; T20-T51 PolarHBondContact O-N 3.33Å; T20-T51 PolarHBondContact OG1-O 3.49Å; N22-T51 PolarHBondContact ND2-OG1 3.46Å; K49-T51 WeakPolarHBondContact CE-OG1 3.44Å; T51-K53 PolarHBondContact O-N 3.24Å; T51-V56 HydrophobicContact CG2-CG2 4.41Å
52P68.9Low51.9Low27 Ų27113.1 Ų113.118%0.17555%0.554CS.*EExtended strand (participates in β ladder)trans-66.4138.2179.1-12.725.5000111.3E18 M19 F54 Y55E18-P52 CarbonylContact O-C 3.55Å; E18-P52 VanDerWaalsContact O-CA 3.22Å; E18-P52 WeakPolarHBondContact O-CA 3.27Å; M19-P52 HydrophobicContact CE-CG 4.17Å; M19-P52 VanDerWaalsContact SD-CA 3.57Å; M19-P52 HydrophobicContact SD-CB 3.92Å; M19-P52 HydrophobicContact SD-CG 3.86Å; P52-F54 HydrophobicContact CB-CD1 3.59Å; P52-F54 HydrophobicContact CB-CD2 4.41Å; P52-F54 HydrophobicContact CB-CE1 3.16Å; P52-F54 HydrophobicContact CB-CE2 4.08Å; P52-F54 HydrophobicContact CB-CG 4.2Å; P52-F54 HydrophobicContact CB-CZ 3.43Å; P52-F54 VanDerWaalsContact CB-CZ 3.43Å; P52-F54 HydrophobicContact CG-CE1 4.1Å; P52-F54 HydrophobicContact CG-CZ 3.9Å; P52-F54 PolarHBondContact O-N 3.45Å; P52-Y55 HydrophobicContact CB-CD2 3.91Å; P52-Y55 HydrophobicContact CG-CD2 3.67Å; P52-Y55 HydrophobicContact CG-CE2 4.19Å; P52-Y55 WeakPolarHBondContact O-CB 3.46Å; P52-Y55 PolarHBondContact O-N 3.2Å
53K68Low51.8Low97 Ų97115.6 Ų115.642%0.42255%0.551SS.*Hα-helixtrans-54.8-38.5-179.4-72.6179.2-171.7173.70111.7G17 E18 M19 T20 T51 Y55 V56G17-K53 VanDerWaalsContact O-CD 3.28Å; G17-K53 WeakPolarHBondContact O-CD 3.48Å; G17-K53 VanDerWaalsContact O-CE 3.25Å; G17-K53 WeakPolarHBondContact O-CE 3.46Å; G17-K53 PolarHBondContact O-NZ 3.37Å; E18-K53 PolarHBondContact O-N 3.39Å; M19-K53 WeakPolarHBondContact O-CE 3.47Å; T20-K53 HydrophobicContact CG2-CB 4.5Å; T20-K53 HydrophobicContact CG2-CG 3.51Å; T51-K53 PolarHBondContact O-N 3.24Å; K53-Y55 VanDerWaalsContact C-N 3.25Å; K53-Y55 PolarHBondContact O-N 3.25Å; K53-V56 VanDerWaalsContact O-CB 3.31Å; K53-V56 WeakPolarHBondContact O-CB 3.4Å; K53-V56 PolarHBondContact O-N 3.27Å
54F60.8Low51.9Low119 Ų119116.3 Ų116.352%0.52256%0.56SS.*Hα-helixtrans-68.4-20.2179.159.7-94.5000114.1P52P52-F54 HydrophobicContact CB-CD1 3.59Å; P52-F54 HydrophobicContact CB-CD2 4.41Å; P52-F54 HydrophobicContact CB-CE1 3.16Å; P52-F54 HydrophobicContact CB-CE2 4.08Å; P52-F54 HydrophobicContact CB-CG 4.2Å; P52-F54 HydrophobicContact CB-CZ 3.43Å; P52-F54 VanDerWaalsContact CB-CZ 3.43Å; P52-F54 HydrophobicContact CG-CE1 4.1Å; P52-F54 HydrophobicContact CG-CZ 3.9Å; P52-F54 PolarHBondContact O-N 3.45Å
55Y53.4Low52Low164 Ų164110.9 Ų110.964%0.64354%0.544SS*.Hα-helixtrans-79.6-18.8171.2-87-87000112.8P52 K53 D57P52-Y55 HydrophobicContact CB-CD2 3.91Å; P52-Y55 HydrophobicContact CG-CD2 3.67Å; P52-Y55 HydrophobicContact CG-CE2 4.19Å; P52-Y55 WeakPolarHBondContact O-CB 3.46Å; P52-Y55 PolarHBondContact O-N 3.2Å; K53-Y55 VanDerWaalsContact C-N 3.25Å; K53-Y55 PolarHBondContact O-N 3.25Å; Y55-D57 VanDerWaalsContact C-N 3.31Å
56V52.3Low51.5Low57 Ų57115.5 Ų115.535%0.34556%0.559SS.*Hα-helixtrans-71.4-29.7178.7-172.90000110.9T20 T51 K53T20-V56 HydrophobicContact CG2-CG2 4.47Å; T51-V56 HydrophobicContact CG2-CG2 4.41Å; K53-V56 VanDerWaalsContact O-CB 3.31Å; K53-V56 WeakPolarHBondContact O-CB 3.4Å; K53-V56 PolarHBondContact O-N 3.27Å
57D45.8Very low51.1Low148 Ų148112.9 Ų112.979%0.79154%0.542SS*.THydrogen-bonded Turntrans-95.3-7.9-170.7-92-29.6000116.6Y55Y55-D57 VanDerWaalsContact C-N 3.31Å
58Q42.3Very low50.7Low173 Ų173109.2 Ų109.281%0.80853%0.529SS*.THydrogen-bonded Turntrans-118.1-9-172.1-74.5-171.72.200117.3
59K41Very low49.9Very low191 Ų191109.6 Ų109.683%0.8353%0.532SS*.  trans-144.825.5-179.1-71.9-168.3179177.80116.4N61K59-N61 PolarHBondContact O-N 3.01Å
60M37.5Very low48.7Very low167 Ų167110.5 Ų110.582%0.82354%0.537SS*.  trans-77.654.9164.3-88.9-168.6178.700111.6
61N36.2Very low47.6Very low139 Ų139112.1 Ų112.174%0.74355%0.546SS*.SBendtrans-90.4101.1159.4-85.1-32.9000107.4K59 R63K59-N61 PolarHBondContact O-N 3.01Å; N61-R63 PolarHBondContact O-N 2.98Å
62L41.6Very low46.6Very low177 Ų177112.4 Ų112.493%0.92755%0.55SS**  trans25.763.2154.2-75.6134.6000116.2
63R38Very low45.8Very low162 Ų162115.1 Ų115.161%0.61158%0.575SS**  trans-98.3131.9155-78.9-169.9178.8179.8-1.4108.5N61 I68N61-R63 PolarHBondContact O-N 2.98Å; R63-I68 HydrophobicContact CB-CD1 4.25Å; R63-I68 HydrophobicContact CB-CG1 4.04Å
64S41.7Very low45.2Very low58 Ų58115 Ų11541%0.40658%0.579SS.*  trans-55.2138.8175.8156.40000109.3K66 E67 I68S64-K66 PolarHBondContact O-N 3.34Å; S64-K66 VanDerWaalsContact O-N 3.07Å; S64-K66 VanDerWaalsContact OG-CB 3.23Å; S64-K66 WeakPolarHBondContact OG-CB 3.23Å; S64-K66 PolarHBondContact OG-N 2.92Å; S64-K66 VanDerWaalsContact OG-N 3.11Å; S64-E67 PolarHBondContact N-OE2 3.29Å; S64-E67 WeakPolarHBondContact O-CB 3.25Å; S64-E67 PolarHBondContact O-N 3.03Å; S64-I68 PolarHBondContact O-N 2.96Å
65T44.2Very low45.4Very low88 Ų88111.4 Ų111.454%0.5457%0.565SS.*Hα-helixtrans-54.8-26.7172.742.40000111.9N69T65-N69 VanDerWaalsContact O-CB 3.28Å; T65-N69 WeakPolarHBondContact O-CB 3.33Å; T65-N69 PolarHBondContact O-N 2.83Å; T65-N69 PolarHBondContact O-ND2 3.44Å
66K38.9Very low46.2Very low138 Ų138105.8 Ų105.860%0.654%0.544SS*.Hα-helixtrans-66.2-45.5172.4-159.5-176.5177.6-169.40111.9S64 N69 E70S64-K66 PolarHBondContact O-N 3.34Å; S64-K66 VanDerWaalsContact O-N 3.07Å; S64-K66 VanDerWaalsContact OG-CB 3.23Å; S64-K66 WeakPolarHBondContact OG-CB 3.23Å; S64-K66 PolarHBondContact OG-N 2.92Å; S64-K66 VanDerWaalsContact OG-N 3.11Å; K66-N69 PolarHBondContact O-N 3.43Å; K66-E70 WeakPolarHBondContact CE-OE1 3.28Å; K66-E70 WeakPolarHBondContact CG-OE1 3.16Å; K66-E70 WeakPolarHBondContact O-CB 3.21Å; K66-E70 VanDerWaalsContact O-CG 3.25Å; K66-E70 WeakPolarHBondContact O-CG 3.49Å; K66-E70 PolarHBondContact O-N 3.07Å
67E41Very low47.2Very low92 Ų92107 Ų10743%0.4355%0.554SS.*Hα-helixtrans-65.9-39.9176.4-66.8174.9160.600111.5S64 N69 E70 L71S64-E67 PolarHBondContact N-OE2 3.29Å; S64-E67 WeakPolarHBondContact O-CB 3.25Å; S64-E67 PolarHBondContact O-N 3.03Å; E67-N69 VanDerWaalsContact C-N 3.32Å; E67-N69 PolarHBondContact O-N 3.11Å; E67-E70 PolarHBondContact O-N 2.84Å; E67-L71 VanDerWaalsContact O-CB 3.23Å; E67-L71 WeakPolarHBondContact O-CB 3.34Å; E67-L71 WeakPolarHBondContact O-CD1 3.06Å; E67-L71 WeakPolarHBondContact O-CG 3.23Å; E67-L71 PolarHBondContact O-N 3.34Å
68I45.1Very low48.5Very low73 Ų7399.9 Ų99.937%0.37452%0.516SS..Hα-helixtrans-65.9-38.5176.9-61.6173.5000110.6R63 S64 A72R63-I68 HydrophobicContact CB-CD1 4.25Å; R63-I68 HydrophobicContact CB-CG1 4.04Å; S64-I68 PolarHBondContact O-N 2.96Å; I68-A72 WeakPolarHBondContact O-CB 3.21Å; I68-A72 PolarHBondContact O-N 2.79Å
69N44.5Very low50.4Low81 Ų8193.7 Ų93.743%0.43349%0.49SS..Hα-helixtrans-72.6-37.6176.3-76.5-17.4000112.4T65 K66 E67 A72 A73T65-N69 VanDerWaalsContact O-CB 3.28Å; T65-N69 WeakPolarHBondContact O-CB 3.33Å; T65-N69 PolarHBondContact O-N 2.83Å; T65-N69 PolarHBondContact O-ND2 3.44Å; K66-N69 PolarHBondContact O-N 3.43Å; E67-N69 VanDerWaalsContact C-N 3.32Å; E67-N69 PolarHBondContact O-N 3.11Å; N69-A72 PolarHBondContact O-N 2.78Å; N69-A73 WeakPolarHBondContact O-CB 3.08Å; N69-A73 PolarHBondContact O-N 3.49Å
70E44.5Very low52.3Low101 Ų10184.6 Ų84.647%0.47245%0.45SS..Hα-helixtrans-67-37.8173.9-75.2169.3-176.900111.1K66 E67 N74K66-E70 WeakPolarHBondContact CE-OE1 3.28Å; K66-E70 WeakPolarHBondContact CG-OE1 3.16Å; K66-E70 WeakPolarHBondContact O-CB 3.21Å; K66-E70 VanDerWaalsContact O-CG 3.25Å; K66-E70 WeakPolarHBondContact O-CG 3.49Å; K66-E70 PolarHBondContact O-N 3.07Å; E67-E70 PolarHBondContact O-N 2.84Å; E70-N74 PolarHBondContact O-N 3.19Å; E70-N74 PolarHBondContact O-ND2 3.22Å
71L44.5Very low54.6Low79 Ų7977.7 Ų77.741%0.41442%0.417SS..Hα-helixtrans-65.9-49.4171.9-71.6165000110.7E67 A73 N74 D75E67-L71 VanDerWaalsContact O-CB 3.23Å; E67-L71 WeakPolarHBondContact O-CB 3.34Å; E67-L71 WeakPolarHBondContact O-CD1 3.06Å; E67-L71 WeakPolarHBondContact O-CG 3.23Å; E67-L71 PolarHBondContact O-N 3.34Å; L71-A73 PolarHBondContact O-N 3.45Å; L71-N74 PolarHBondContact O-N 2.97Å; L71-D75 VanDerWaalsContact O-CG 3.26Å; L71-D75 PolarHBondContact O-N 3.49Å; L71-D75 VanDerWaalsContact O-OD1 3.04Å
72A48Very low56.8Low30 Ų3072 Ų7225%0.24839%0.386CS..Hα-helixtrans-72.4-25.1-177.400000114.4I68 N69 N74 D75 R91I68-A72 WeakPolarHBondContact O-CB 3.21Å; I68-A72 PolarHBondContact O-N 2.79Å; N69-A72 PolarHBondContact O-N 2.78Å; A72-N74 VanDerWaalsContact C-N 3.26Å; A72-D75 PolarHBondContact O-N 3.4Å; A72-R91 PolarHBondContact O-NH2 2.92Å
73A52Low58.3Low83 Ų8367.6 Ų67.669%0.68637%0.368SS*.Hα-helixtrans-70.2-26.7173.600000111.9N69 L71N69-A73 WeakPolarHBondContact O-CB 3.08Å; N69-A73 PolarHBondContact O-N 3.49Å; L71-A73 PolarHBondContact O-N 3.45Å
74N56.3Low59.8Low94 Ų9464.8 Ų64.850%0.50337%0.373SS..SBendtrans-96.9-4.6178.8-67.7-31.4000112.9E70 L71 A72 H94E70-N74 PolarHBondContact O-N 3.19Å; E70-N74 PolarHBondContact O-ND2 3.22Å; L71-N74 PolarHBondContact O-N 2.97Å; A72-N74 VanDerWaalsContact C-N 3.26Å; N74-H94 HydrophobicContact CB-CB 4.05Å; N74-H94 PolarHBondContact O-N 3.23Å
75D65.1Low61Low44 Ų4467.5 Ų67.524%0.23538%0.379CS..  trans-79.1136.6175.5-73-9.8000111L71 A72 R91 A92 H93L71-D75 VanDerWaalsContact O-CG 3.26Å; L71-D75 PolarHBondContact O-N 3.49Å; L71-D75 VanDerWaalsContact O-OD1 3.04Å; A72-D75 PolarHBondContact O-N 3.4Å; D75-R91 HydrophobicContact CB-CG 3.78Å; D75-R91 IonicContact OD2-NE 3.65Å; D75-A92 CarbonylContact C-O 3.55Å; D75-A92 VanDerWaalsContact CA-O 3.26Å; D75-A92 WeakPolarHBondContact CA-O 3.35Å; D75-H93 WeakPolarHBondContact OD1-CA 3.44Å; D75-H93 VanDerWaalsContact OD1-CB 3.32Å; D75-H93 WeakPolarHBondContact OD1-CB 3.3Å
76F69.2Low62.4Low47 Ų4768.5 Ų68.521%0.20639%0.387CS..EExtended strand (participates in β ladder)trans-122.2153.5174.457.4-83.4000111.9V78 A92 L135 A136F76-V78 HydrophobicContact CD2-CG2 3.5Å; F76-V78 VanDerWaalsContact CD2-CG2 3.5Å; F76-V78 HydrophobicContact CE2-CG2 3.38Å; F76-V78 HydrophobicContact CZ-CG2 4.49Å; F76-A92 HydrophobicContact CE2-CB 4.32Å; F76-A92 HydrophobicContact CZ-CB 4.31Å; F76-A92 PolarHBondContact N-O 3.36Å; F76-A92 PolarHBondContact O-N 3.46Å; F76-L135 HydrophobicContact CE2-CB 4.01Å; F76-L135 HydrophobicContact CZ-CB 3.5Å; F76-L135 HydrophobicContact CZ-CD1 4.38Å; F76-A136 HydrophobicContact CE1-CB 4.19Å; F76-A136 HydrophobicContact CZ-CB 4.47Å
77C73.4Confident64.4Low81 Ų8164.5 Ų64.555%0.54738%0.377SS..EExtended strand (participates in β ladder)trans-84.1129.8177.1-1710000109.6
78V74.7Confident65.8Low0 Ų061.2 Ų61.20%036%0.363CS..EExtended strand (participates in β ladder)trans-120.8134.6178.91800000109.2F76 V80 A89 L90 A92 L101 K141 F143F76-V78 HydrophobicContact CD2-CG2 3.5Å; F76-V78 VanDerWaalsContact CD2-CG2 3.5Å; F76-V78 HydrophobicContact CE2-CG2 3.38Å; F76-V78 HydrophobicContact CZ-CG2 4.49Å; V78-V80 HydrophobicContact CG1-CG2 4.14Å; V78-A89 CarbonylContact O-C 3.54Å; V78-A89 WeakPolarHBondContact O-CA 3.42Å; V78-L90 PolarHBondContact N-O 3.36Å; V78-L90 PolarHBondContact O-N 3.25Å; V78-A92 HydrophobicContact CG2-CB 3.88Å; V78-L101 HydrophobicContact CG1-CD1 4.36Å; V78-L101 HydrophobicContact CG1-CD2 3.7Å; V78-K141 WeakPolarHBondContact CA-O 3.25Å; V78-F143 HydrophobicContact CB-CE2 4.47Å; V78-F143 HydrophobicContact CG1-CD2 3.24Å; V78-F143 HydrophobicContact CG1-CE2 3.32Å; V78-F143 HydrophobicContact CG1-CG 4.45Å; V78-F143 HydrophobicContact CG2-CE2 4.39Å
79V80.9Confident67.1Low42 Ų4261 Ų6126%0.25537%0.372SS..EExtended strand (participates in β ladder)trans-109.7131.5174.8-1800000109.2V88 A89 K141 R142 F143V79-V88 CarbonylContact C-O 3.57Å; V79-V88 WeakPolarHBondContact CA-O 3.15Å; V79-A89 HydrophobicContact CG2-CB 4.38Å; V79-K141 PolarHBondContact N-O 3.49Å; V79-R142 HydrophobicContact CB-CG 4.11Å; V79-R142 HydrophobicContact CG1-CG 4.22Å; V79-R142 CarbonylContact O-C 3.53Å; V79-R142 VanDerWaalsContact O-CA 3.23Å; V79-R142 WeakPolarHBondContact O-CA 3.21Å; V79-F143 PolarHBondContact O-N 3.07Å
80V81Confident68.2Low0 Ų058.7 Ų58.70%036%0.36CS..EExtended strand (participates in β ladder)trans-120.7116.8177.8-1720000110V78 S87 V88 L101 V105 L119 F143 I145V78-V80 HydrophobicContact CG1-CG2 4.14Å; V80-S87 CarbonylContact O-C 3.5Å; V80-S87 WeakPolarHBondContact O-CA 3.45Å; V80-V88 PolarHBondContact N-O 3.08Å; V80-V88 PolarHBondContact O-N 2.9Å; V80-L101 HydrophobicContact CG2-CD2 4.2Å; V80-V105 HydrophobicContact CB-CG1 4.35Å; V80-V105 HydrophobicContact CB-CG2 3.97Å; V80-V105 HydrophobicContact CG1-CG1 3.98Å; V80-V105 HydrophobicContact CG1-CG2 4.12Å; V80-V105 HydrophobicContact CG2-CG2 3.64Å; V80-L119 HydrophobicContact CG1-CD2 3.71Å; V80-F143 CarbonylContact C-O 3.57Å; V80-F143 WeakPolarHBondContact CA-O 3.29Å; V80-F143 HydrophobicContact CG1-CB 4.44Å; V80-F143 HydrophobicContact CG2-CB 4.24Å; V80-I145 HydrophobicContact CG1-CB 4.13Å; V80-I145 HydrophobicContact CG1-CG2 4.35Å
81D85.2Confident69.5Low22 Ų2261.5 Ų61.512%0.11837%0.366CS..EExtended strand (participates in β ladder)trans-77120176.5-67.1-28.5000109.5S87 K122 R142 F143 K144 I145D81-S87 VanDerWaalsContact OD1-CB 3.31Å; D81-S87 WeakPolarHBondContact OD1-CB 3.32Å; D81-S87 PolarHBondContact OD1-OG 3.33Å; D81-K122 WeakPolarHBondContact OD2-CD 3.4Å; D81-R142 IonicContact OD1-CZ 3.34Å; D81-R142 IonicContact OD1-NE 3.11Å; D81-R142 PolarHBondContact OD1-NE 3.28Å; D81-R142 VanDerWaalsContact OD1-NE 3.11Å; D81-R142 IonicContact OD1-NH2 2.74Å; D81-R142 PolarHBondContact OD1-NH2 3.49Å; D81-R142 IonicContact OD2-CZ 3.42Å; D81-R142 IonicContact OD2-NE 2.86Å; D81-R142 PolarHBondContact OD2-NE 3.49Å; D81-R142 IonicContact OD2-NH2 3.23Å; D81-R142 PolarHBondContact OD2-NH2 3.45Å; D81-F143 PolarHBondContact N-O 3.42Å; D81-K144 HydrophobicContact CB-CG 4.48Å; D81-I145 WeakPolarHBondContact O-CG2 3.46Å; D81-I145 PolarHBondContact O-N 3.44Å
82L82.3Confident70.5Confident21 Ų2158 Ų5811%0.1135%0.348CS..  trans-88.9147.6176.8-61.5179.9000110.7S84 H85 V88 V105 A109 L111 I145L82-S84 VanDerWaalsContact C-N 3.31Å; L82-S84 PolarHBondContact O-N 2.82Å; L82-H85 HydrophobicContact CB-CB 3.77Å; L82-H85 HydrophobicContact CD1-CB 3.53Å; L82-H85 HydrophobicContact CG-CB 4.31Å; L82-V88 HydrophobicContact CD1-CG2 3.64Å; L82-V88 HydrophobicContact CG-CG2 4.12Å; L82-V105 HydrophobicContact CD2-CG1 3.79Å; L82-A109 HydrophobicContact CD1-CB 3.66Å; L82-A109 HydrophobicContact CD2-CB 3.96Å; L82-L111 HydrophobicContact CD2-CD1 3.97Å; L82-I145 HydrophobicContact CB-CG2 4.39Å; L82-I145 HydrophobicContact CD2-CG2 3.48Å; L82-I145 VanDerWaalsContact CD2-CG2 3.48Å; L82-I145 HydrophobicContact CG-CG2 4.45Å
83P73.5Confident71.6Confident84 Ų8461.2 Ų61.255%0.54536%0.358SS..SBendtrans-68-22.9-174.523.9-34000114.9I145P83-I145 VanDerWaalsContact CD-CG2 3.49Å
84S70.2Confident72.5Confident103 Ų10362.2 Ų62.272%0.7235%0.348SS*.SBendtrans-140.113.1-177-52.10000113.4L82L82-S84 VanDerWaalsContact C-N 3.31Å; L82-S84 PolarHBondContact O-N 2.82Å
85H66.9Low73.3Confident114 Ų11459.8 Ų59.853%0.52835%0.345SS..SBendtrans-139.4159.8-172.2-70.7-57000110.4L82L82-H85 HydrophobicContact CB-CB 3.77Å; L82-H85 HydrophobicContact CD1-CB 3.53Å; L82-H85 HydrophobicContact CG-CB 4.31Å
86P74.3Confident74Confident109 Ų10958.4 Ų58.471%0.70834%0.339SS*.  trans-56.2148170.624.8-34.7000110.6
87S79.1Confident74.9Confident55 Ų5558.4 Ų58.439%0.38534%0.343SS..  trans-56.7147.4175.9-430000111.3V80 D81V80-S87 CarbonylContact O-C 3.5Å; V80-S87 WeakPolarHBondContact O-CA 3.45Å; D81-S87 VanDerWaalsContact OD1-CB 3.31Å; D81-S87 WeakPolarHBondContact OD1-CB 3.32Å; D81-S87 PolarHBondContact OD1-OG 3.33Å
88V71.2Confident75.5Confident22 Ų2254.8 Ų54.813%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-105.4127.1176.5-1770000109.1V79 V80 L82 L90V79-V88 CarbonylContact C-O 3.57Å; V79-V88 WeakPolarHBondContact CA-O 3.15Å; V80-V88 PolarHBondContact N-O 3.08Å; V80-V88 PolarHBondContact O-N 2.9Å; L82-V88 HydrophobicContact CD1-CG2 3.64Å; L82-V88 HydrophobicContact CG-CG2 4.12Å; V88-L90 HydrophobicContact CG1-CD1 4.39Å; V88-L90 HydrophobicContact CG1-CD2 3.96Å; V88-L90 HydrophobicContact CG1-CG 3.93Å
89A72.9Confident76.1Confident69 Ų6956.9 Ų56.957%0.5734%0.336SS*.EExtended strand (participates in β ladder)trans-97.6127171.900000110.1V78 V79V78-A89 CarbonylContact O-C 3.54Å; V78-A89 WeakPolarHBondContact O-CA 3.42Å; V79-A89 HydrophobicContact CG2-CB 4.38Å
90L67.5Low76.4Confident33 Ų3356.1 Ų56.117%0.17334%0.336CS..EExtended strand (participates in β ladder)trans-128.3151.4-178.4-62.8169.1000109.9V78 V88 L101 A104 V105V78-L90 PolarHBondContact N-O 3.36Å; V78-L90 PolarHBondContact O-N 3.25Å; V88-L90 HydrophobicContact CG1-CD1 4.39Å; V88-L90 HydrophobicContact CG1-CD2 3.96Å; V88-L90 HydrophobicContact CG1-CG 3.93Å; L90-L101 HydrophobicContact CB-CD1 4.5Å; L90-L101 HydrophobicContact CD1-CD1 3.88Å; L90-A104 HydrophobicContact CD1-CB 4.47Å; L90-V105 HydrophobicContact CD1-CB 4.48Å; L90-V105 HydrophobicContact CD1-CG2 3.47Å; L90-V105 VanDerWaalsContact CD1-CG2 3.47Å
91R70.4Confident76.6Confident160 Ų16056.3 Ų56.360%0.60434%0.337SS*.EExtended strand (participates in β ladder)trans-95.2117.6169.5-165.7173.8-153.2165.90.2108.6A72 D75A72-R91 PolarHBondContact O-NH2 2.92Å; D75-R91 HydrophobicContact CB-CG 3.78Å; D75-R91 IonicContact OD2-NE 3.65Å
92A66.7Low76.6Confident4 Ų456.3 Ų56.33%0.03334%0.337CS..EExtended strand (participates in β ladder)trans-106.1138.9177.400000110D75 F76 V78 C96 L135D75-A92 CarbonylContact C-O 3.55Å; D75-A92 VanDerWaalsContact CA-O 3.26Å; D75-A92 WeakPolarHBondContact CA-O 3.35Å; F76-A92 HydrophobicContact CE2-CB 4.32Å; F76-A92 HydrophobicContact CZ-CB 4.31Å; F76-A92 PolarHBondContact N-O 3.36Å; F76-A92 PolarHBondContact O-N 3.46Å; V78-A92 HydrophobicContact CG2-CB 3.88Å; A92-C96 HydrophobicContact CB-CB 4.14Å; A92-L135 HydrophobicContact CB-CD1 3.68Å
93H71.6Confident76.8Confident99 Ų9960.6 Ų60.646%0.45836%0.357SS..  trans-78.5156.2171.766.3-69.3000110.6D75 G95 C96D75-H93 WeakPolarHBondContact OD1-CA 3.44Å; D75-H93 VanDerWaalsContact OD1-CB 3.32Å; D75-H93 WeakPolarHBondContact OD1-CB 3.3Å; H93-G95 PolarHBondContact CD2-N 3.46Å; H93-G95 VanDerWaalsContact NE2-C 3.3Å; H93-G95 PolarHBondContact O-N 3.44Å; H93-G95 VanDerWaalsContact O-N 3.13Å; H93-C96 PolarHBondContact CD2-N 2.86Å; H93-C96 WeakPolarHBondContact CE1-CA 3.25Å; H93-C96 VanDerWaalsContact CE1-CB 3.42Å; H93-C96 WeakPolarHBondContact CE1-CB 3.36Å; H93-C96 WeakPolarHBondContact ND1-CB 3.26Å; H93-C96 PolarHBondContact NE2-N 3.28Å; H93-C96 WeakPolarHBondContact O-CB 3.45Å; H93-C96 PolarHBondContact O-N 2.89Å
94H69.2Low77.2Confident104 Ų10458.8 Ų58.848%0.48135%0.348SS..THydrogen-bonded Turntrans-56.3-31.9-178.5-157.377.4000114.1N74 C96 A136N74-H94 HydrophobicContact CB-CB 4.05Å; N74-H94 PolarHBondContact O-N 3.23Å; H94-C96 VanDerWaalsContact C-N 3.31Å; H94-C96 PolarHBondContact O-N 2.9Å; H94-A136 WeakPolarHBondContact CE1-CB 3.4Å
95G74.4Confident77.8Confident43 Ų4353.9 Ų53.944%0.44331%0.314SS..THydrogen-bonded Turntrans-83.54.717600000115.3H93 T97 L134H93-G95 PolarHBondContact CD2-N 3.46Å; H93-G95 VanDerWaalsContact NE2-C 3.3Å; H93-G95 PolarHBondContact O-N 3.44Å; H93-G95 VanDerWaalsContact O-N 3.13Å; G95-T97 PolarHBondContact O-N 2.83Å; G95-L134 WeakPolarHBondContact O-CD2 3.48Å
96C78.8Confident78.6Confident14 Ų1448.4 Ų48.410%0.09529%0.289CS..  trans-71.7126.9-177.2-165.60000110.5A92 H93 H94 L135A92-C96 HydrophobicContact CB-CB 4.14Å; H93-C96 PolarHBondContact CD2-N 2.86Å; H93-C96 WeakPolarHBondContact CE1-CA 3.25Å; H93-C96 VanDerWaalsContact CE1-CB 3.42Å; H93-C96 WeakPolarHBondContact CE1-CB 3.36Å; H93-C96 WeakPolarHBondContact ND1-CB 3.26Å; H93-C96 PolarHBondContact NE2-N 3.28Å; H93-C96 WeakPolarHBondContact O-CB 3.45Å; H93-C96 PolarHBondContact O-N 2.89Å; H94-C96 VanDerWaalsContact C-N 3.31Å; H94-C96 PolarHBondContact O-N 2.9Å; C96-L135 HydrophobicContact CB-CD1 3.76Å; C96-L135 HydrophobicContact CB-CG 4.46Å; C96-L135 WeakPolarHBondContact O-CG 3.31Å; C96-L135 PolarHBondContact O-N 2.83Å
97T88.1Confident78.9Confident48 Ų4847.8 Ų47.829%0.29428%0.279SS..BIsolated β-bridgetrans-82.7158.3172.561.40000111G95 A99 G100 L101 G131 Q133 L134G95-T97 PolarHBondContact O-N 2.83Å; T97-A99 PolarHBondContact O-N 2.81Å; T97-G100 PolarHBondContact O-N 3.45Å; T97-G100 VanDerWaalsContact O-N 3.09Å; T97-G100 PolarHBondContact OG1-N 3.21Å; T97-L101 PolarHBondContact O-N 2.8Å; T97-G131 WeakPolarHBondContact CB-O 3.18Å; T97-Q133 CarbonylContact C-O 3.54Å; T97-Q133 VanDerWaalsContact CA-O 3.28Å; T97-Q133 WeakPolarHBondContact CA-O 3.37Å; T97-L134 HydrophobicContact CG2-CD2 4.19Å
98V87.3Confident78.8Confident4 Ų449.9 Ų49.92%0.02429%0.286CS..Hα-helixtrans-54.4-42.7172.41710000111.2G100 L101 L102 L119 F129 N130 Q133 L135 L138V98-G100 VanDerWaalsContact C-N 3.33Å; V98-G100 PolarHBondContact O-N 3.09Å; V98-L101 PolarHBondContact O-N 3.33Å; V98-L102 WeakPolarHBondContact O-CB 3.41Å; V98-L102 PolarHBondContact O-N 3.34Å; V98-L119 HydrophobicContact CG1-CB 4.13Å; V98-L119 HydrophobicContact CG1-CD1 4.02Å; V98-F129 HydrophobicContact CB-CB 4.4Å; V98-F129 HydrophobicContact CG1-CB 3.69Å; V98-F129 HydrophobicContact CG2-CB 3.9Å; V98-N130 WeakPolarHBondContact CB-O 3.21Å; V98-Q133 HydrophobicContact CG2-CB 4.26Å; V98-Q133 WeakPolarHBondContact CG2-O 3.42Å; V98-Q133 PolarHBondContact N-O 2.83Å; V98-L135 HydrophobicContact CG2-CD2 3.96Å; V98-L138 HydrophobicContact CG2-CD1 3.7Å
99A86.6Confident79.1Confident45 Ų4549.9 Ų49.937%0.37229%0.288SS..Hα-helixtrans-61.7-41.2176.800000112.1T97 L102 E103 G131T97-A99 PolarHBondContact O-N 2.81Å; A99-L102 PolarHBondContact O-N 2.54Å; A99-E103 WeakPolarHBondContact O-CB 3.36Å; A99-E103 PolarHBondContact O-N 3.09Å; A99-G131 WeakPolarHBondContact CB-O 3.46Å; A99-G131 PolarHBondContact N-O 2.84Å
100G86.6Confident79.6Confident26 Ų2656.9 Ų56.927%0.26830%0.299SS..Hα-helixtrans-64.4-39.1176.200000112.8T97 V98 A104T97-G100 PolarHBondContact O-N 3.45Å; T97-G100 VanDerWaalsContact O-N 3.09Å; T97-G100 PolarHBondContact OG1-N 3.21Å; V98-G100 VanDerWaalsContact C-N 3.33Å; V98-G100 PolarHBondContact O-N 3.09Å; G100-A104 WeakPolarHBondContact O-CB 3.41Å; G100-A104 PolarHBondContact O-N 2.95Å; G100-A104 VanDerWaalsContact O-N 3.09Å
101L85Confident80.4Confident4 Ų456.3 Ų56.32%0.02130%0.296CS..Hα-helixtrans-65.6-45.7173.4-175.865.2000111.6V78 V80 L90 T97 V98 E103 A104 V105 L119 L135 F143V78-L101 HydrophobicContact CG1-CD1 4.36Å; V78-L101 HydrophobicContact CG1-CD2 3.7Å; V80-L101 HydrophobicContact CG2-CD2 4.2Å; L90-L101 HydrophobicContact CB-CD1 4.5Å; L90-L101 HydrophobicContact CD1-CD1 3.88Å; T97-L101 PolarHBondContact O-N 2.8Å; V98-L101 PolarHBondContact O-N 3.33Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 3Å; L101-A104 PolarHBondContact O-N 2.9Å; L101-V105 HydrophobicContact CD1-CG2 4.26Å; L101-V105 HydrophobicContact CG-CG2 4.21Å; L101-V105 WeakPolarHBondContact O-CB 3.43Å; L101-V105 WeakPolarHBondContact O-CG2 3.11Å; L101-V105 PolarHBondContact O-N 3.13Å; L101-L119 HydrophobicContact CB-CD1 3.92Å; L101-L119 HydrophobicContact CD2-CD1 3.72Å; L101-L119 HydrophobicContact CG-CD1 3.88Å; L101-L135 HydrophobicContact CB-CD1 3.85Å; L101-L135 HydrophobicContact CB-CD2 4.16Å; L101-L135 HydrophobicContact CB-CG 4.44Å; L101-L135 HydrophobicContact CD1-CD1 4.36Å; L101-L135 HydrophobicContact CD2-CD1 3.87Å; L101-L135 HydrophobicContact CD2-CD2 3.6Å; L101-L135 HydrophobicContact CD2-CG 4.38Å; L101-L135 HydrophobicContact CG-CD1 4.23Å; L101-F143 HydrophobicContact CD2-CD2 4.17Å; L101-F143 HydrophobicContact CD2-CE2 4.35Å; L101-F143 HydrophobicContact CD2-CG 4.42Å
102L87.1Confident81Confident22 Ų2254.9 Ų54.912%0.11530%0.295CS..Hα-helixtrans-58-48.3179.4175.667000110.6V98 A99 A104 V105 C106 V114 Y117 L119 I145V98-L102 WeakPolarHBondContact O-CB 3.41Å; V98-L102 PolarHBondContact O-N 3.34Å; A99-L102 PolarHBondContact O-N 2.54Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 3.48Å; L102-V105 PolarHBondContact O-N 3.36Å; L102-C106 WeakPolarHBondContact O-CB 3.2Å; L102-C106 PolarHBondContact O-N 2.83Å; L102-C106 PolarHBondContact O-SG 2.89Å; L102-C106 VanDerWaalsContact O-SG 3.36Å; L102-V114 HydrophobicContact CD2-CG1 4.08Å; L102-V114 HydrophobicContact CG-CG1 3.96Å; L102-Y117 VanDerWaalsContact CD2-O 3.3Å; L102-Y117 WeakPolarHBondContact CD2-O 3.46Å; L102-L119 HydrophobicContact CB-CD1 3.93Å; L102-L119 HydrophobicContact CB-CG 4.11Å; L102-L119 HydrophobicContact CD1-CG 4.07Å; L102-I145 HydrophobicContact CD1-CD1 3.83Å; L102-I145 HydrophobicContact CD1-CG1 4.21Å
103E85.7Confident81.9Confident111 Ų11157 Ų5752%0.51931%0.308SS..Hα-helixtrans-59.1-45.9177.2-174.7174-156.300111.4A99 L101 V105 C106 I107A99-E103 WeakPolarHBondContact O-CB 3.36Å; A99-E103 PolarHBondContact O-N 3.09Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 3Å; E103-V105 PolarHBondContact O-N 3.41Å; E103-C106 PolarHBondContact O-N 2.93Å; E103-I107 HydrophobicContact CG-CD1 3.81Å; E103-I107 WeakPolarHBondContact O-CB 3.5Å; E103-I107 VanDerWaalsContact O-CG1 3.25Å; E103-I107 WeakPolarHBondContact O-CG1 3.4Å; E103-I107 PolarHBondContact O-N 3.27Å
104A81.6Confident82.6Confident45 Ų4554.2 Ų54.237%0.37230%0.298SS..Hα-helixtrans-61.8-42.4177.500000112.7L90 G100 L101 L102 N108L90-A104 HydrophobicContact CD1-CB 4.47Å; G100-A104 WeakPolarHBondContact O-CB 3.41Å; G100-A104 PolarHBondContact O-N 2.95Å; G100-A104 VanDerWaalsContact O-N 3.09Å; L101-A104 PolarHBondContact O-N 2.9Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 3.48Å; A104-N108 VanDerWaalsContact O-CB 3.3Å; A104-N108 WeakPolarHBondContact O-CB 3.32Å; A104-N108 PolarHBondContact O-N 2.98Å; A104-N108 VanDerWaalsContact O-N 3.08Å
105V83.2Confident83.4Confident0 Ų059 Ų590%031%0.312CS..Hα-helixtrans-65.1-47.9176.51730000110.5V80 L82 L90 L101 L102 E103 I107 N108 A109 I145V80-V105 HydrophobicContact CB-CG1 4.35Å; V80-V105 HydrophobicContact CB-CG2 3.97Å; V80-V105 HydrophobicContact CG1-CG1 3.98Å; V80-V105 HydrophobicContact CG1-CG2 4.12Å; V80-V105 HydrophobicContact CG2-CG2 3.64Å; L82-V105 HydrophobicContact CD2-CG1 3.79Å; L90-V105 HydrophobicContact CD1-CB 4.48Å; L90-V105 HydrophobicContact CD1-CG2 3.47Å; L90-V105 VanDerWaalsContact CD1-CG2 3.47Å; L101-V105 HydrophobicContact CD1-CG2 4.26Å; L101-V105 HydrophobicContact CG-CG2 4.21Å; L101-V105 WeakPolarHBondContact O-CB 3.43Å; L101-V105 WeakPolarHBondContact O-CG2 3.11Å; L101-V105 PolarHBondContact O-N 3.13Å; L102-V105 PolarHBondContact O-N 3.36Å; E103-V105 PolarHBondContact O-N 3.41Å; V105-I107 PolarHBondContact O-N 3.29Å; V105-N108 PolarHBondContact O-N 2.83Å; V105-A109 VanDerWaalsContact O-CB 3.25Å; V105-A109 WeakPolarHBondContact O-CB 3.19Å; V105-A109 PolarHBondContact O-N 3.23Å; V105-I145 HydrophobicContact CG1-CD1 3.99Å
106C83.2Confident84.1Confident0 Ų058 Ų580%030%0.296CS..Hα-helixtrans-61.3-43.6-179.5-77.70000111.8L102 E103 R110 L111 V114L102-C106 WeakPolarHBondContact O-CB 3.2Å; L102-C106 PolarHBondContact O-N 2.83Å; L102-C106 PolarHBondContact O-SG 2.89Å; L102-C106 VanDerWaalsContact O-SG 3.36Å; E103-C106 PolarHBondContact O-N 2.93Å; C106-R110 CarbonylContact O-C 3.59Å; C106-R110 WeakPolarHBondContact O-CA 3.39Å; C106-R110 PolarHBondContact O-N 3.46Å; C106-L111 HydrophobicContact CB-CB 4.25Å; C106-L111 WeakPolarHBondContact CB-O 3.48Å; C106-L111 PolarHBondContact O-N 2.86Å; C106-V114 HydrophobicContact CB-CB 4.42Å; C106-V114 HydrophobicContact CB-CG1 4.22Å; C106-V114 HydrophobicContact CB-CG2 3.79Å
107I80.4Confident84.6Confident96 Ų9659 Ų5949%0.49230%0.298SS..Hα-helixtrans-62-46175.8-69.9166.9000110.9E103 V105 R110 F112E103-I107 HydrophobicContact CG-CD1 3.81Å; E103-I107 WeakPolarHBondContact O-CB 3.5Å; E103-I107 VanDerWaalsContact O-CG1 3.25Å; E103-I107 WeakPolarHBondContact O-CG1 3.4Å; E103-I107 PolarHBondContact O-N 3.27Å; V105-I107 PolarHBondContact O-N 3.29Å; I107-R110 PolarHBondContact O-N 2.8Å; I107-F112 HydrophobicContact CG1-CZ 4.32Å
108N76.8Confident84.7Confident99 Ų9957.7 Ų57.753%0.52929%0.291SS..Hα-helixtrans-66.5-43.4-178.2-162.9-26.5000111.8A104 V105 R110A104-N108 VanDerWaalsContact O-CB 3.3Å; A104-N108 WeakPolarHBondContact O-CB 3.32Å; A104-N108 PolarHBondContact O-N 2.98Å; A104-N108 VanDerWaalsContact O-N 3.08Å; V105-N108 PolarHBondContact O-N 2.83Å; N108-R110 VanDerWaalsContact C-N 3.3Å; N108-R110 PolarHBondContact O-N 2.88Å
109A78.4Confident84.7Confident21 Ų2157.6 Ų57.617%0.17429%0.29CS..Hα-helixtrans-83.71179.200000114.2L82 V105 L111L82-A109 HydrophobicContact CD1-CB 3.66Å; L82-A109 HydrophobicContact CD2-CB 3.96Å; V105-A109 VanDerWaalsContact O-CB 3.25Å; V105-A109 WeakPolarHBondContact O-CB 3.19Å; V105-A109 PolarHBondContact O-N 3.23Å; A109-L111 VanDerWaalsContact C-N 3.25Å; A109-L111 HydrophobicContact CB-CD1 3.81Å; A109-L111 HydrophobicContact CB-CG 3.78Å; A109-L111 PolarHBondContact O-N 2.74Å
110R83.9Confident84.8Confident216 Ų21655.4 Ų55.482%0.81527%0.272SS*.THydrogen-bonded Turntrans54.237.8-175.4-55.3-179.4179.6-174.8-0.6113.7C106 I107 N108C106-R110 CarbonylContact O-C 3.59Å; C106-R110 WeakPolarHBondContact O-CA 3.39Å; C106-R110 PolarHBondContact O-N 3.46Å; I107-R110 PolarHBondContact O-N 2.8Å; N108-R110 VanDerWaalsContact C-N 3.3Å; N108-R110 PolarHBondContact O-N 2.88Å
111L82.5Confident84.7Confident21 Ų2155 Ų5511%0.1127%0.265CS..  trans-91.8113.5177.6-60.2173.4000109.3L82 C106 A109 Y117 I145L82-L111 HydrophobicContact CD2-CD1 3.97Å; C106-L111 HydrophobicContact CB-CB 4.25Å; C106-L111 WeakPolarHBondContact CB-O 3.48Å; C106-L111 PolarHBondContact O-N 2.86Å; A109-L111 VanDerWaalsContact C-N 3.25Å; A109-L111 HydrophobicContact CB-CD1 3.81Å; A109-L111 HydrophobicContact CB-CG 3.78Å; A109-L111 PolarHBondContact O-N 2.74Å; L111-Y117 HydrophobicContact CB-CD2 4.32Å; L111-Y117 HydrophobicContact CB-CE1 4.35Å; L111-Y117 HydrophobicContact CB-CE2 3.82Å; L111-Y117 HydrophobicContact CD1-CE1 4.31Å; L111-Y117 HydrophobicContact CD2-CE1 4.34Å; L111-I145 HydrophobicContact CD1-CD1 3.71Å
112F83.9Confident84.5Confident130 Ų13059 Ų5957%0.5728%0.282SS*.  trans-139146.3-179.8-66.9-79.6000111.3I107 V114I107-F112 HydrophobicContact CG1-CZ 4.32Å; F112-V114 HydrophobicContact CD1-CG2 4.35Å; F112-V114 HydrophobicContact CE1-CG2 4.41Å
113P86.2Confident83.9Confident50 Ų5065.3 Ų65.333%0.32531%0.311SS..  cis-78.3147.2-3.333.6-35.5000112.3R115 D116 Y117P113-R115 HydrophobicContact CB-CG 4.17Å; P113-R115 HydrophobicContact CG-CG 4.13Å; P113-R115 PolarHBondContact O-N 3.11Å; P113-R115 VanDerWaalsContact O-N 3.11Å; P113-D116 VanDerWaalsContact CD-OD2 3.26Å; P113-D116 WeakPolarHBondContact CD-OD2 3.28Å; P113-D116 HydrophobicContact CG-CB 4.34Å; P113-D116 VanDerWaalsContact CG-CG 3.42Å; P113-D116 WeakPolarHBondContact CG-OD1 3.48Å; P113-D116 VanDerWaalsContact CG-OD2 3.27Å; P113-D116 WeakPolarHBondContact CG-OD2 3.2Å; P113-D116 PolarHBondContact O-N 3.11Å; P113-Y117 WeakPolarHBondContact O-CD2 3.26Å
114V85.3Confident83Confident39 Ų3967.7 Ų67.724%0.23632%0.322CS..G310 helixtrans-55.9-33-176.4-176.90000112.6L102 C106 F112 D116 Y117L102-V114 HydrophobicContact CD2-CG1 4.08Å; L102-V114 HydrophobicContact CG-CG1 3.96Å; C106-V114 HydrophobicContact CB-CB 4.42Å; C106-V114 HydrophobicContact CB-CG1 4.22Å; C106-V114 HydrophobicContact CB-CG2 3.79Å; F112-V114 HydrophobicContact CD1-CG2 4.35Å; F112-V114 HydrophobicContact CE1-CG2 4.41Å; V114-D116 PolarHBondContact O-N 2.95Å; V114-Y117 PolarHBondContact O-N 3.38Å; V114-Y117 VanDerWaalsContact O-N 3.11Å
115R86.8Confident82.2Confident204 Ų20469.7 Ų69.777%0.7733%0.331SS*.G310 helixtrans-62.5-21.2-18074.8-170.3177.6-176.5-2.9114.3P113 Y117 T148P113-R115 HydrophobicContact CB-CG 4.17Å; P113-R115 HydrophobicContact CG-CG 4.13Å; P113-R115 PolarHBondContact O-N 3.11Å; P113-R115 VanDerWaalsContact O-N 3.11Å; R115-Y117 PolarHBondContact O-N 3.11Å; R115-T148 PolarHBondContact O-OG1 2.86Å
116D88.6Confident81.7Confident23 Ų2373.6 Ų73.612%0.12335%0.348CS..G310 helixtrans-83.54.4-179.9-63.18.6000111P113 V114 R147 T148P113-D116 VanDerWaalsContact CD-OD2 3.26Å; P113-D116 WeakPolarHBondContact CD-OD2 3.28Å; P113-D116 HydrophobicContact CG-CB 4.34Å; P113-D116 VanDerWaalsContact CG-CG 3.42Å; P113-D116 WeakPolarHBondContact CG-OD1 3.48Å; P113-D116 VanDerWaalsContact CG-OD2 3.27Å; P113-D116 WeakPolarHBondContact CG-OD2 3.2Å; P113-D116 PolarHBondContact O-N 3.11Å; V114-D116 PolarHBondContact O-N 2.95Å; D116-R147 CarbonylContact O-C 3.55Å; D116-R147 WeakPolarHBondContact O-CA 3.23Å; D116-R147 WeakPolarHBondContact O-CG 3.27Å; D116-T148 VanDerWaalsContact CA-OG1 3.29Å; D116-T148 WeakPolarHBondContact CA-OG1 3.34Å; D116-T148 PolarHBondContact O-N 2.89Å; D116-T148 PolarHBondContact O-OG1 3.46Å
117Y88.9Confident81.6Confident35 Ų3580.1 Ų80.114%0.13738%0.379CS..EExtended strand (participates in β ladder)trans-127.9150.6-176.3-60.1-86.6000111.7L102 L111 P113 V114 R115 I145 M146 R147L102-Y117 VanDerWaalsContact CD2-O 3.3Å; L102-Y117 WeakPolarHBondContact CD2-O 3.46Å; L111-Y117 HydrophobicContact CB-CD2 4.32Å; L111-Y117 HydrophobicContact CB-CE1 4.35Å; L111-Y117 HydrophobicContact CB-CE2 3.82Å; L111-Y117 HydrophobicContact CD1-CE1 4.31Å; L111-Y117 HydrophobicContact CD2-CE1 4.34Å; P113-Y117 WeakPolarHBondContact O-CD2 3.26Å; V114-Y117 PolarHBondContact O-N 3.38Å; V114-Y117 VanDerWaalsContact O-N 3.11Å; R115-Y117 PolarHBondContact O-N 3.11Å; Y117-I145 HydrophobicContact CD1-CD1 4.14Å; Y117-I145 HydrophobicContact CD1-CG1 4.04Å; Y117-I145 HydrophobicContact CG-CD1 4.21Å; Y117-I145 HydrophobicContact CG-CG1 4.36Å; Y117-M146 CarbonylContact C-O 3.41Å; Y117-M146 VanDerWaalsContact CA-O 3.23Å; Y117-M146 WeakPolarHBondContact CA-O 3.45Å; Y117-R147 HydrophobicContact CD1-CB 4.45Å; Y117-R147 HydrophobicContact CE1-CB 4.45Å; Y117-R147 HydrophobicContact CE1-CG 4.38Å
118C89.9Confident81.9Confident20 Ų2079.6 Ų79.614%0.13538%0.382CS..EExtended strand (participates in β ladder)trans-136.1155.4173.460.30000110.5P128 I145 M146 T148C118-P128 HydrophobicContact CB-CB 3.88Å; C118-I145 WeakPolarHBondContact O-CA 3.47Å; C118-M146 PolarHBondContact N-O 3.44Å; C118-M146 PolarHBondContact O-N 3.43Å; C118-T148 HydrophobicContact CB-CG2 3.81Å
119L89.1Confident82.3Confident2 Ų276.8 Ų76.81%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-96.7132.9171-71.6172.6000109.3V80 V98 L101 L102 F129 F143 I145V80-L119 HydrophobicContact CG1-CD2 3.71Å; V98-L119 HydrophobicContact CG1-CB 4.13Å; V98-L119 HydrophobicContact CG1-CD1 4.02Å; L101-L119 HydrophobicContact CB-CD1 3.92Å; L101-L119 HydrophobicContact CD2-CD1 3.72Å; L101-L119 HydrophobicContact CG-CD1 3.88Å; L102-L119 HydrophobicContact CB-CD1 3.93Å; L102-L119 HydrophobicContact CB-CG 4.11Å; L102-L119 HydrophobicContact CD1-CG 4.07Å; L119-F129 HydrophobicContact CB-CD2 4.31Å; L119-F129 VanDerWaalsContact O-CD2 3.29Å; L119-F129 WeakPolarHBondContact O-CD2 3.27Å; L119-F129 PolarHBondContact O-N 3.26Å; L119-F143 HydrophobicContact CD2-CB 4.14Å; L119-I145 HydrophobicContact CD2-CB 4.3Å
120C88.1Confident82.7Confident0 Ų080.9 Ų80.90%038%0.384CS..EExtended strand (participates in β ladder)trans-127.7159.2179.7-61.80000109.3F126 P128 F143 K144 M146C120-F126 PolarHBondContact SG-O 3.05Å; C120-P128 VanDerWaalsContact SG-CA 3.57Å; C120-F143 CarbonylContact O-C 3.56Å; C120-F143 WeakPolarHBondContact O-CA 3.35Å; C120-K144 PolarHBondContact N-O 3.34Å; C120-K144 PolarHBondContact O-N 3.16Å; C120-M146 HydrophobicContact CB-CE 3.76Å; C120-M146 HydrophobicContact CB-CG 4.44Å; C120-M146 WeakPolarHBondContact SG-CE 3.33Å
121P84.7Confident82.7Confident17 Ų1771.9 Ų71.911%0.1136%0.358CS..EExtended strand (participates in β ladder)trans-63.3152.416827-31.7000109.6E123 P125 E127 F129 L140P121-E123 VanDerWaalsContact C-N 3.31Å; P121-E123 WeakPolarHBondContact CB-O 3.3Å; P121-E123 WeakPolarHBondContact CG-O 3.23Å; P121-P125 WeakPolarHBondContact CG-O 3.29Å; P121-E127 WeakPolarHBondContact CD-O 3.45Å; P121-F129 HydrophobicContact CB-CE2 4.27Å; P121-F129 HydrophobicContact CB-CZ 3.82Å; P121-F129 VanDerWaalsContact CD-CZ 3.49Å; P121-F129 HydrophobicContact CG-CE2 4.48Å; P121-F129 HydrophobicContact CG-CZ 4Å; P121-L140 HydrophobicContact CB-CD1 4.01Å
122K79.7Confident82.9Confident88 Ų8876.5 Ų76.538%0.38339%0.387SS..SBendtrans-68.9-34.4175-179.5-179.9179-1670112D81 F126 R142D81-K122 WeakPolarHBondContact OD2-CD 3.4Å; K122-F126 VanDerWaalsContact O-CE1 3.27Å; K122-F126 WeakPolarHBondContact O-CE1 3.44Å; K122-R142 HydrophobicContact CB-CG 4.47Å; K122-R142 HydrophobicContact CD-CG 4.03Å
123E74.7Confident83Confident154 Ų15473.8 Ų73.872%0.7238%0.376SS*.SBendtrans-103.6150.6-178-66.1175.5-17500109.2P121P121-E123 VanDerWaalsContact C-N 3.31Å; P121-E123 WeakPolarHBondContact CB-O 3.3Å; P121-E123 WeakPolarHBondContact CG-O 3.23Å
124E66.3Low83Confident161 Ų16174.2 Ų74.275%0.75238%0.376SS*.SBendtrans-57.3142.9179.1-74.7-178.7-17900111.2F126E124-F126 HydrophobicContact CG-CD2 3.58Å; E124-F126 HydrophobicContact CG-CE2 3.26Å; E124-F126 HydrophobicContact CG-CG 4.49Å; E124-F126 HydrophobicContact CG-CZ 3.97Å
125P65.2Low82.9Confident87 Ų8772.4 Ų72.457%0.56537%0.365SS*.PPolyproline II helixcis-84.2133.57.332.2-33.2000112.9P121 E127P121-P125 WeakPolarHBondContact CG-O 3.29Å; P125-E127 HydrophobicContact CB-CG 4.29Å; P125-E127 PolarHBondContact O-N 3.2Å
126F73.1Confident82.4Confident82 Ų8263.9 Ų63.936%0.3634%0.338SS..  trans-70.530.4-179.1-65.3-71.6000114.6C120 K122 E124 K144 M146C120-F126 PolarHBondContact SG-O 3.05Å; K122-F126 VanDerWaalsContact O-CE1 3.27Å; K122-F126 WeakPolarHBondContact O-CE1 3.44Å; E124-F126 HydrophobicContact CG-CD2 3.58Å; E124-F126 HydrophobicContact CG-CE2 3.26Å; E124-F126 HydrophobicContact CG-CG 4.49Å; E124-F126 HydrophobicContact CG-CZ 3.97Å; F126-K144 HydrophobicContact CE1-CD 4.46Å; F126-M146 HydrophobicContact CB-CE 3.88Å; F126-M146 WeakPolarHBondContact O-CE 2.93Å
127E81.6Confident82.2Confident138 Ų13867.7 Ų67.765%0.64536%0.358SS*.PPolyproline II helixtrans-68.7135.2-177.9-71-177.9178.900110.8P121 P125 F129P121-E127 WeakPolarHBondContact CD-O 3.45Å; P125-E127 HydrophobicContact CB-CG 4.29Å; P125-E127 PolarHBondContact O-N 3.2Å; E127-F129 PolarHBondContact O-N 3.44Å
128P85.5Confident81.9Confident85 Ų8567.2 Ų67.255%0.55236%0.358SS*.PPolyproline II helixtrans-65.7133177.127.3-33.1000110.6C118 C120C118-P128 HydrophobicContact CB-CB 3.88Å; C120-P128 VanDerWaalsContact SG-CA 3.57Å
129F86.9Confident81.3Confident40 Ų4071.6 Ų71.618%0.17539%0.389CS..PPolyproline II helixtrans-67.5146.9174.6-68.1-60000111.4V98 L119 P121 E127 G131 L138 L140 F143V98-F129 HydrophobicContact CB-CB 4.4Å; V98-F129 HydrophobicContact CG1-CB 3.69Å; V98-F129 HydrophobicContact CG2-CB 3.9Å; L119-F129 HydrophobicContact CB-CD2 4.31Å; L119-F129 VanDerWaalsContact O-CD2 3.29Å; L119-F129 WeakPolarHBondContact O-CD2 3.27Å; L119-F129 PolarHBondContact O-N 3.26Å; P121-F129 HydrophobicContact CB-CE2 4.27Å; P121-F129 HydrophobicContact CB-CZ 3.82Å; P121-F129 VanDerWaalsContact CD-CZ 3.49Å; P121-F129 HydrophobicContact CG-CE2 4.48Å; P121-F129 HydrophobicContact CG-CZ 4Å; E127-F129 PolarHBondContact O-N 3.44Å; F129-G131 PolarHBondContact O-N 3.31Å; F129-L138 HydrophobicContact CB-CD1 4.47Å; F129-L138 HydrophobicContact CD1-CD1 3.74Å; F129-L138 HydrophobicContact CD1-CD2 3.52Å; F129-L138 HydrophobicContact CD1-CG 4.31Å; F129-L138 HydrophobicContact CD2-CD1 4.09Å; F129-L138 HydrophobicContact CE1-CD1 3.97Å; F129-L138 HydrophobicContact CE1-CD2 3.5Å; F129-L138 HydrophobicContact CE1-CG 4.31Å; F129-L138 HydrophobicContact CE2-CD1 4.28Å; F129-L138 HydrophobicContact CG-CD1 3.83Å; F129-L138 HydrophobicContact CG-CD2 4.42Å; F129-L138 HydrophobicContact CZ-CD1 4.23Å; F129-L138 HydrophobicContact CZ-CD2 4.37Å; F129-L140 HydrophobicContact CE1-CD1 4.15Å; F129-L140 HydrophobicContact CE2-CD1 4.13Å; F129-L140 HydrophobicContact CZ-CD1 3.35Å; F129-F143 AromaticContact CD2-CD1 3.84Å; F129-F143 HydrophobicContact CD2-CD1 3.84Å; F129-F143 AromaticContact CD2-CE1 4Å; F129-F143 HydrophobicContact CD2-CE1 4Å; F129-F143 AromaticContact CE2-CD1 3.49Å; F129-F143 HydrophobicContact CE2-CD1 3.49Å; F129-F143 VanDerWaalsContact CE2-CD1 3.49Å; F129-F143 AromaticContact CE2-CE1 3.65Å; F129-F143 HydrophobicContact CE2-CE1 3.65Å; F129-F143 HydrophobicContact CZ-CE1 4.36Å
130N86.5Confident80.8Confident106 Ų10674.5 Ų74.557%0.56740%0.404SS*.PPolyproline II helixtrans-68125.6171.6-175.5-23.7000109.5V98 V132 Q133V98-N130 WeakPolarHBondContact CB-O 3.21Å; N130-V132 PolarHBondContact O-N 3.39Å; N130-V132 PolarHBondContact OD1-N 3.2Å; N130-Q133 HydrophobicContact CB-CB 4.42Å; N130-Q133 VanDerWaalsContact O-CB 3.29Å; N130-Q133 WeakPolarHBondContact O-CB 3.12Å; N130-Q133 PolarHBondContact O-N 2.78Å
131G83.6Confident80.4Confident27 Ų2782.2 Ų82.228%0.27844%0.437SS..THydrogen-bonded Turntrans-57.2-24.3-178.600000114.9T97 A99 F129T97-G131 WeakPolarHBondContact CB-O 3.18Å; A99-G131 WeakPolarHBondContact CB-O 3.46Å; A99-G131 PolarHBondContact N-O 2.84Å; F129-G131 PolarHBondContact O-N 3.31Å
132V87.2Confident80.4Confident119 Ų11986.2 Ų86.272%0.72145%0.45SS*.THydrogen-bonded Turntrans-83.1-17.4179.9-170.50000112.3N130N130-V132 PolarHBondContact O-N 3.39Å; N130-V132 PolarHBondContact OD1-N 3.2Å
133Q86Confident80.8Confident73 Ų7382 Ų8234%0.34143%0.432SS..SBendtrans-68.5143-176.7-168.7167.613.500111.4T97 V98 N130 L138T97-Q133 CarbonylContact C-O 3.54Å; T97-Q133 VanDerWaalsContact CA-O 3.28Å; T97-Q133 WeakPolarHBondContact CA-O 3.37Å; V98-Q133 HydrophobicContact CG2-CB 4.26Å; V98-Q133 WeakPolarHBondContact CG2-O 3.42Å; V98-Q133 PolarHBondContact N-O 2.83Å; N130-Q133 HydrophobicContact CB-CB 4.42Å; N130-Q133 VanDerWaalsContact O-CB 3.29Å; N130-Q133 WeakPolarHBondContact O-CB 3.12Å; N130-Q133 PolarHBondContact O-N 2.78Å; Q133-L138 VanDerWaalsContact CD-CD2 3.41Å; Q133-L138 HydrophobicContact CG-CD2 4.23Å; Q133-L138 HydrophobicContact CG-CG 4.4Å
134L85.4Confident81.5Confident59 Ų5978.2 Ų78.231%0.30941%0.413SS..BIsolated β-bridgetrans-75.6136.9173.9-65.7173.5000110G95 T97 A136 D137G95-L134 WeakPolarHBondContact O-CD2 3.48Å; T97-L134 HydrophobicContact CG2-CD2 4.19Å; L134-A136 PolarHBondContact O-N 2.94Å; L134-D137 PolarHBondContact O-N 2.88Å
135L82.4Confident82.5Confident1 Ų170.6 Ų70.61%0.00538%0.378CS..THydrogen-bonded Turntrans-62-32.6176.3-68.1175000112.3F76 A92 C96 V98 L101 D137 L138 F143F76-L135 HydrophobicContact CE2-CB 4.01Å; F76-L135 HydrophobicContact CZ-CB 3.5Å; F76-L135 HydrophobicContact CZ-CD1 4.38Å; A92-L135 HydrophobicContact CB-CD1 3.68Å; C96-L135 HydrophobicContact CB-CD1 3.76Å; C96-L135 HydrophobicContact CB-CG 4.46Å; C96-L135 WeakPolarHBondContact O-CG 3.31Å; C96-L135 PolarHBondContact O-N 2.83Å; V98-L135 HydrophobicContact CG2-CD2 3.96Å; L101-L135 HydrophobicContact CB-CD1 3.85Å; L101-L135 HydrophobicContact CB-CD2 4.16Å; L101-L135 HydrophobicContact CB-CG 4.44Å; L101-L135 HydrophobicContact CD1-CD1 4.36Å; L101-L135 HydrophobicContact CD2-CD1 3.87Å; L101-L135 HydrophobicContact CD2-CD2 3.6Å; L101-L135 HydrophobicContact CD2-CG 4.38Å; L101-L135 HydrophobicContact CG-CD1 4.23Å; L135-D137 VanDerWaalsContact C-N 3.25Å; L135-D137 PolarHBondContact O-N 2.83Å; L135-L138 HydrophobicContact CD2-CD1 4.46Å; L135-L138 PolarHBondContact O-N 3.37Å; L135-F143 HydrophobicContact CD2-CE1 4.11Å; L135-F143 HydrophobicContact CD2-CE2 4.48Å; L135-F143 HydrophobicContact CD2-CZ 3.87Å
136A78.2Confident83.5Confident24 Ų2469 Ų6920%0.19836%0.363CS..THydrogen-bonded Turntrans-62-34.3178.200000112.3F76 H94 L134 L138F76-A136 HydrophobicContact CE1-CB 4.19Å; F76-A136 HydrophobicContact CZ-CB 4.47Å; H94-A136 WeakPolarHBondContact CE1-CB 3.4Å; L134-A136 PolarHBondContact O-N 2.94Å; A136-L138 VanDerWaalsContact C-N 3.29Å; A136-L138 PolarHBondContact O-N 2.99Å
137D83.6Confident84.1Confident103 Ų10372.2 Ų72.255%0.55137%0.373SS*.THydrogen-bonded Turntrans-72.5-25-179.5-62.9-19.8000112.2L134 L135 S139L134-D137 PolarHBondContact O-N 2.88Å; L135-D137 VanDerWaalsContact C-N 3.25Å; L135-D137 PolarHBondContact O-N 2.83Å; D137-S139 PolarHBondContact O-N 2.8Å
138L81.4Confident84.1Confident26 Ų2668.9 Ų68.914%0.13636%0.362CS..THydrogen-bonded Turntrans-71.9-18.4-178.2-66.6176.5000112.9V98 F129 Q133 L135 A136 L140 F143V98-L138 HydrophobicContact CG2-CD1 3.7Å; F129-L138 HydrophobicContact CB-CD1 4.47Å; F129-L138 HydrophobicContact CD1-CD1 3.74Å; F129-L138 HydrophobicContact CD1-CD2 3.52Å; F129-L138 HydrophobicContact CD1-CG 4.31Å; F129-L138 HydrophobicContact CD2-CD1 4.09Å; F129-L138 HydrophobicContact CE1-CD1 3.97Å; F129-L138 HydrophobicContact CE1-CD2 3.5Å; F129-L138 HydrophobicContact CE1-CG 4.31Å; F129-L138 HydrophobicContact CE2-CD1 4.28Å; F129-L138 HydrophobicContact CG-CD1 3.83Å; F129-L138 HydrophobicContact CG-CD2 4.42Å; F129-L138 HydrophobicContact CZ-CD1 4.23Å; F129-L138 HydrophobicContact CZ-CD2 4.37Å; Q133-L138 VanDerWaalsContact CD-CD2 3.41Å; Q133-L138 HydrophobicContact CG-CD2 4.23Å; Q133-L138 HydrophobicContact CG-CG 4.4Å; L135-L138 HydrophobicContact CD2-CD1 4.46Å; L135-L138 PolarHBondContact O-N 3.37Å; A136-L138 VanDerWaalsContact C-N 3.29Å; A136-L138 PolarHBondContact O-N 2.99Å; L138-L140 HydrophobicContact CB-CB 4.4Å; L138-L140 WeakPolarHBondContact O-CG 3.29Å; L138-L140 PolarHBondContact O-N 3.04Å; L138-F143 HydrophobicContact CD1-CE1 3.72Å; L138-F143 HydrophobicContact CD1-CZ 4.25Å
139S77.3Confident83Confident112 Ų11269.2 Ų69.278%0.78336%0.359SS*.  trans52.816-173.7-60.40000114.6D137D137-S139 PolarHBondContact O-N 2.8Å
140L78.9Confident81.2Confident62 Ų6270.9 Ų70.933%0.32539%0.388SS..  trans-103135.2-178.5-70.5170.8000110.4P121 F129 L138 F143P121-L140 HydrophobicContact CB-CD1 4.01Å; F129-L140 HydrophobicContact CE1-CD1 4.15Å; F129-L140 HydrophobicContact CE2-CD1 4.13Å; F129-L140 HydrophobicContact CZ-CD1 3.35Å; L138-L140 HydrophobicContact CB-CB 4.4Å; L138-L140 WeakPolarHBondContact O-CG 3.29Å; L138-L140 PolarHBondContact O-N 3.04Å; L140-F143 HydrophobicContact CB-CE1 4.29Å; L140-F143 HydrophobicContact CB-CE2 4.42Å; L140-F143 HydrophobicContact CB-CZ 3.94Å; L140-F143 WeakPolarHBondContact O-CE2 3.38Å; L140-F143 WeakPolarHBondContact O-CZ 3.16Å
141K80.2Confident78.8Confident163 Ų16377 Ų7771%0.70942%0.421SS*.SBendtrans-98.6-11.8175-63.2-177-179.2178.30112.9V78 V79V78-K141 WeakPolarHBondContact CA-O 3.25Å; V79-K141 PolarHBondContact N-O 3.49Å
142R85.6Confident78.6Confident101 Ų10179.5 Ų79.538%0.38143%0.428SS..EExtended strand (participates in β ladder)trans-136.5128.6-173.9-166.1164.7-179.81696.3111.3V79 D81 K122V79-R142 HydrophobicContact CB-CG 4.11Å; V79-R142 HydrophobicContact CG1-CG 4.22Å; V79-R142 CarbonylContact O-C 3.53Å; V79-R142 VanDerWaalsContact O-CA 3.23Å; V79-R142 WeakPolarHBondContact O-CA 3.21Å; D81-R142 IonicContact OD1-CZ 3.34Å; D81-R142 IonicContact OD1-NE 3.11Å; D81-R142 PolarHBondContact OD1-NE 3.28Å; D81-R142 VanDerWaalsContact OD1-NE 3.11Å; D81-R142 IonicContact OD1-NH2 2.74Å; D81-R142 PolarHBondContact OD1-NH2 3.49Å; D81-R142 IonicContact OD2-CZ 3.42Å; D81-R142 IonicContact OD2-NE 2.86Å; D81-R142 PolarHBondContact OD2-NE 3.49Å; D81-R142 IonicContact OD2-NH2 3.23Å; D81-R142 PolarHBondContact OD2-NH2 3.45Å; K122-R142 HydrophobicContact CB-CG 4.47Å; K122-R142 HydrophobicContact CD-CG 4.03Å
143F87.1Confident78.1Confident0 Ų077.4 Ų77.40%041%0.412CS..EExtended strand (participates in β ladder)trans-123159.3-176.9-57.9-98.9000108.8V78 V79 V80 D81 L101 L119 C120 F129 L135 L138 L140V78-F143 HydrophobicContact CB-CE2 4.47Å; V78-F143 HydrophobicContact CG1-CD2 3.24Å; V78-F143 HydrophobicContact CG1-CE2 3.32Å; V78-F143 HydrophobicContact CG1-CG 4.45Å; V78-F143 HydrophobicContact CG2-CE2 4.39Å; V79-F143 PolarHBondContact O-N 3.07Å; V80-F143 CarbonylContact C-O 3.57Å; V80-F143 WeakPolarHBondContact CA-O 3.29Å; V80-F143 HydrophobicContact CG1-CB 4.44Å; V80-F143 HydrophobicContact CG2-CB 4.24Å; D81-F143 PolarHBondContact N-O 3.42Å; L101-F143 HydrophobicContact CD2-CD2 4.17Å; L101-F143 HydrophobicContact CD2-CE2 4.35Å; L101-F143 HydrophobicContact CD2-CG 4.42Å; L119-F143 HydrophobicContact CD2-CB 4.14Å; C120-F143 CarbonylContact O-C 3.56Å; C120-F143 WeakPolarHBondContact O-CA 3.35Å; F129-F143 AromaticContact CD2-CD1 3.84Å; F129-F143 HydrophobicContact CD2-CD1 3.84Å; F129-F143 AromaticContact CD2-CE1 4Å; F129-F143 HydrophobicContact CD2-CE1 4Å; F129-F143 AromaticContact CE2-CD1 3.49Å; F129-F143 HydrophobicContact CE2-CD1 3.49Å; F129-F143 VanDerWaalsContact CE2-CD1 3.49Å; F129-F143 AromaticContact CE2-CE1 3.65Å; F129-F143 HydrophobicContact CE2-CE1 3.65Å; F129-F143 HydrophobicContact CZ-CE1 4.36Å; L135-F143 HydrophobicContact CD2-CE1 4.11Å; L135-F143 HydrophobicContact CD2-CE2 4.48Å; L135-F143 HydrophobicContact CD2-CZ 3.87Å; L138-F143 HydrophobicContact CD1-CE1 3.72Å; L138-F143 HydrophobicContact CD1-CZ 4.25Å; L140-F143 HydrophobicContact CB-CE1 4.29Å; L140-F143 HydrophobicContact CB-CE2 4.42Å; L140-F143 HydrophobicContact CB-CZ 3.94Å; L140-F143 WeakPolarHBondContact O-CE2 3.38Å; L140-F143 WeakPolarHBondContact O-CZ 3.16Å
144K89Confident77.7Confident74 Ų7477.7 Ų77.732%0.32242%0.416SS..EExtended strand (participates in β ladder)trans-118.9129.1170.9-175.4-180179.3-173.40107.6D81 C120 F126 M146D81-K144 HydrophobicContact CB-CG 4.48Å; C120-K144 PolarHBondContact N-O 3.34Å; C120-K144 PolarHBondContact O-N 3.16Å; F126-K144 HydrophobicContact CE1-CD 4.46Å; K144-M146 HydrophobicContact CD-CG 4.24Å; K144-M146 HydrophobicContact CD-SD 4.28Å; K144-M146 HydrophobicContact CG-CG 4.15Å
145I87.9Confident77.2Confident1 Ų178.8 Ų78.81%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-83.9131.6169.4-171.2165.5000108.8V80 D81 L82 P83 L102 V105 L111 Y117 C118 L119V80-I145 HydrophobicContact CG1-CB 4.13Å; V80-I145 HydrophobicContact CG1-CG2 4.35Å; D81-I145 WeakPolarHBondContact O-CG2 3.46Å; D81-I145 PolarHBondContact O-N 3.44Å; L82-I145 HydrophobicContact CB-CG2 4.39Å; L82-I145 HydrophobicContact CD2-CG2 3.48Å; L82-I145 VanDerWaalsContact CD2-CG2 3.48Å; L82-I145 HydrophobicContact CG-CG2 4.45Å; P83-I145 VanDerWaalsContact CD-CG2 3.49Å; L102-I145 HydrophobicContact CD1-CD1 3.83Å; L102-I145 HydrophobicContact CD1-CG1 4.21Å; V105-I145 HydrophobicContact CG1-CD1 3.99Å; L111-I145 HydrophobicContact CD1-CD1 3.71Å; Y117-I145 HydrophobicContact CD1-CD1 4.14Å; Y117-I145 HydrophobicContact CD1-CG1 4.04Å; Y117-I145 HydrophobicContact CG-CD1 4.21Å; Y117-I145 HydrophobicContact CG-CG1 4.36Å; C118-I145 WeakPolarHBondContact O-CA 3.47Å; L119-I145 HydrophobicContact CD2-CB 4.3Å
146M87.2Confident76.9Confident52 Ų5283.6 Ų83.626%0.25645%0.449SS..EExtended strand (participates in β ladder)trans-125.4152.7176.3-60.3-152.6-65.200109Y117 C118 C120 F126 K144Y117-M146 CarbonylContact C-O 3.41Å; Y117-M146 VanDerWaalsContact CA-O 3.23Å; Y117-M146 WeakPolarHBondContact CA-O 3.45Å; C118-M146 PolarHBondContact N-O 3.44Å; C118-M146 PolarHBondContact O-N 3.43Å; C120-M146 HydrophobicContact CB-CE 3.76Å; C120-M146 HydrophobicContact CB-CG 4.44Å; C120-M146 WeakPolarHBondContact SG-CE 3.33Å; F126-M146 HydrophobicContact CB-CE 3.88Å; F126-M146 WeakPolarHBondContact O-CE 2.93Å; K144-M146 HydrophobicContact CD-CG 4.24Å; K144-M146 HydrophobicContact CD-SD 4.28Å; K144-M146 HydrophobicContact CG-CG 4.15Å
147R85.6Confident76.8Confident150 Ų15087.6 Ų87.657%0.56647%0.465SS*.EExtended strand (participates in β ladder)trans-82.1130.3173.4-162.4178170.4169-5.4108D116 Y117 D149D116-R147 CarbonylContact O-C 3.55Å; D116-R147 WeakPolarHBondContact O-CA 3.23Å; D116-R147 WeakPolarHBondContact O-CG 3.27Å; Y117-R147 HydrophobicContact CD1-CB 4.45Å; Y117-R147 HydrophobicContact CE1-CB 4.45Å; Y117-R147 HydrophobicContact CE1-CG 4.38Å; R147-D149 VanDerWaalsContact C-N 3.26Å
148T80.2Confident76.3Confident69 Ų6986.5 Ų86.542%0.42346%0.459SS..SBendtrans-68.3-31.9177.953.10000111.4R115 D116 C118 G150R115-T148 PolarHBondContact O-OG1 2.86Å; D116-T148 VanDerWaalsContact CA-OG1 3.29Å; D116-T148 WeakPolarHBondContact CA-OG1 3.34Å; D116-T148 PolarHBondContact O-N 2.89Å; D116-T148 PolarHBondContact O-OG1 3.46Å; C118-T148 HydrophobicContact CB-CG2 3.81Å; T148-G150 VanDerWaalsContact C-N 3.29Å; T148-G150 PolarHBondContact O-N 2.8Å
149D64Low75.9Confident91 Ų9191.2 Ų91.249%0.48748%0.484SS..  trans-86.974.8178.3-61.7-9000109.2R147 N151R147-D149 VanDerWaalsContact C-N 3.26Å; D149-N151 VanDerWaalsContact C-N 3.35Å; D149-N151 PolarHBondContact O-N 3.05Å
150G47.6Very low75.8Confident76 Ų7689.4 Ų89.478%0.78446%0.459SS*.  trans-87.576.4161.800000109.7T148T148-G150 VanDerWaalsContact C-N 3.29Å; T148-G150 PolarHBondContact O-N 2.8Å
151N36.7Very low75.6Confident234 Ų23491.9 Ų91.9100%1.25147%0.471SS*.  trans-119.80157.3-142.234.4000108D149D149-N151 VanDerWaalsContact C-N 3.35Å; D149-N151 PolarHBondContact O-N 3.05Å

Retrieved 151 of 151 residues in 245.2 ms (Link to these results)

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