A0A087WUF3_HUMAN Loading...

Mothers against decapentaplegic homolog

AlphaFold DB (A0A0S2Z4B2), UniProt , Accession A0A087WUF3, Species HUMAN (Homo sapiens, Human), Gene SMAD4, Length 486 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
1M37.6Very low51.9Low233 Ų233130.8 Ų130.8100%1.14872%0.717SS**  087.90-92.2178.3170.300104
2D33Very low55Low153 Ų153120.9 Ų120.982%0.81866%0.664SS**  trans-119.1106.7-167.5-63.8-82.3000107.1M4D2-M4 PolarHBondContact O-N 3.2Å; D2-M4 VanDerWaalsContact O-N 3.14Å
3N36.8Very low57.6Low154 Ų154120.5 Ų120.582%0.82466%0.66SS**  trans-8488.9-163.1-169.853000109.6S5N3-S5 PolarHBondContact O-N 3.44Å
4M38.8Very low60Low193 Ų193116.9 Ų116.995%0.95164%0.64SS**  trans-72.4103170.8-79.4-152.3-171.700110.6D2D2-M4 PolarHBondContact O-N 3.2Å; D2-M4 VanDerWaalsContact O-N 3.14Å
5S34.5Very low62.1Low95 Ų95113.4 Ų113.466%0.66463%0.633SS**  trans-30.1140.7173-46.40000116.4N3 T7N3-S5 PolarHBondContact O-N 3.44Å; S5-T7 PolarHBondContact O-N 2.74Å; S5-T7 VanDerWaalsContact O-N 3.13Å
6I40.8Very low63.9Low161 Ų161109.4 Ų109.483%0.82661%0.614SS**  trans-44.4115.9158.8-62.8159.4000109.3N8I6-N8 PolarHBondContact O-N 3.1Å
7T45.9Very low65.6Low132 Ų132111 Ų11181%0.8162%0.62SS**  trans-80.6111171.2380000109.1S5 T9S5-T7 PolarHBondContact O-N 2.74Å; S5-T7 VanDerWaalsContact O-N 3.13Å; T7-T9 PolarHBondContact O-N 3.08Å
8N61.9Low67.1Low149 Ų149108.3 Ų108.380%0.79761%0.61SS**PPolyproline II helixtrans-55.4129170.6-81.2-24.5000109.8I6I6-N8 PolarHBondContact O-N 3.1Å
9T71.2Confident68.6Low89 Ų89102.6 Ų102.655%0.54658%0.578SS.*PPolyproline II helixtrans-57.6125.4166.8-48.40000108.3T7 I58 T62T7-T9 PolarHBondContact O-N 3.08Å; T9-I58 HydrophobicContact CG2-CG2 4.41Å; T9-T62 HydrophobicContact CG2-CG2 4.37Å
10P81.8Confident70Confident24 Ų2498 Ų9816%0.15655%0.552CS.*PPolyproline II helixtrans-65.8158.7-178.823.1-29.2000111.5D14 S22 I58P10-D14 WeakPolarHBondContact CA-OD2 3.47Å; P10-S22 WeakPolarHBondContact CG-OG 3.29Å; P10-I58 HydrophobicContact CG-CG2 4.03Å; P10-I58 VanDerWaalsContact O-CG2 3.29Å; P10-I58 WeakPolarHBondContact O-CG2 3.27Å
11T89.1Confident71.1Confident56 Ų5699.7 Ų99.734%0.34456%0.555SS.*  trans-127.2167.7-177.767.10000110.5N13 D14 I19 D55T11-N13 PolarHBondContact O-N 3.2Å; T11-N13 PolarHBondContact OG1-N 2.99Å; T11-D14 PolarHBondContact N-OD2 3.36Å; T11-D14 WeakPolarHBondContact O-CB 3.49Å; T11-D14 PolarHBondContact O-N 3.1Å; T11-D14 PolarHBondContact OG1-OD2 3.33Å; T11-I19 WeakPolarHBondContact O-CD1 3.4Å; T11-D55 WeakPolarHBondContact CA-OD1 3.25Å
12S88.5Confident73.9Confident12 Ų1289.6 Ų89.68%0.08451%0.507CS..THydrogen-bonded Turntrans-62.2-9.2174.767.70000114.6K51 D55S12-K51 WeakPolarHBondContact OG-CB 3.49Å; S12-D55 VanDerWaalsContact CB-CG 3.48Å; S12-D55 WeakPolarHBondContact CB-OD1 3.5Å; S12-D55 WeakPolarHBondContact CB-OD2 3.5Å; S12-D55 PolarHBondContact N-OD1 3.02Å; S12-D55 VanDerWaalsContact OG-CG 3.28Å; S12-D55 PolarHBondContact OG-OD1 3.11Å; S12-D55 PolarHBondContact OG-OD2 3.45Å
13N89Confident76.9Confident116 Ų11682.3 Ų82.362%0.6247%0.468SS*.THydrogen-bonded Turntrans-89.3-14.2174.3-63.3-56.4000113.3T11 K51T11-N13 PolarHBondContact O-N 3.2Å; T11-N13 PolarHBondContact OG1-N 2.99Å; N13-K51 PolarHBondContact OD1-NZ 3.34Å
14D90.5Very high79.7Confident70 Ų7076.2 Ų76.237%0.37444%0.435SS..SBendtrans-71.5159.2178.2-71.5-59.9000112.4P10 T11 C16 I19P10-D14 WeakPolarHBondContact CA-OD2 3.47Å; T11-D14 PolarHBondContact N-OD2 3.36Å; T11-D14 WeakPolarHBondContact O-CB 3.49Å; T11-D14 PolarHBondContact O-N 3.1Å; T11-D14 PolarHBondContact OG1-OD2 3.33Å; D14-C16 PolarHBondContact O-N 3.03Å; D14-I19 HydrophobicContact CB-CD1 4.39Å; D14-I19 HydrophobicContact CB-CG1 4.03Å
15A91.4Very high82.4Confident64 Ų6471.4 Ų71.453%0.52942%0.419SS..  trans-57.3135.4174.700000110.4L17 S18 I19A15-L17 PolarHBondContact O-N 3.05Å; A15-S18 WeakPolarHBondContact O-CA 3.22Å; A15-S18 WeakPolarHBondContact O-CB 3.32Å; A15-S18 PolarHBondContact O-N 2.86Å; A15-I19 PolarHBondContact O-N 2.94Å
16C92.1Very high85.2Confident50 Ų5070.1 Ų70.134%0.33840%0.403SS..Hα-helixtrans-54.8-30.6-176.6-56.50000113.1D14 I19 V20 V44D14-C16 PolarHBondContact O-N 3.03Å; C16-I19 PolarHBondContact O-N 2.84Å; C16-V20 WeakPolarHBondContact O-CB 3.07Å; C16-V20 WeakPolarHBondContact O-CG2 3.4Å; C16-V20 PolarHBondContact O-N 3.3Å; C16-V44 HydrophobicContact CB-CG1 3.97Å
17L92.3Very high87.8Confident136 Ų13666.7 Ų66.771%0.71238%0.379SS*.Hα-helixtrans-64.7-40.5174.4-65.7176000112.7A15 V20 H21A15-L17 PolarHBondContact O-N 3.05Å; L17-V20 PolarHBondContact O-N 3.05Å; L17-H21 WeakPolarHBondContact O-CB 3.16Å; L17-H21 PolarHBondContact O-N 3.28Å
18S93.6Very high89.9Confident62 Ų6265 Ų6543%0.43436%0.363SS..Hα-helixtrans-66.2-42.3176.3-51.50000111.4A15 H21 S22A15-S18 WeakPolarHBondContact O-CA 3.22Å; A15-S18 WeakPolarHBondContact O-CB 3.32Å; A15-S18 PolarHBondContact O-N 2.86Å; S18-H21 PolarHBondContact O-N 2.93Å; S18-S22 PolarHBondContact O-N 3.42Å
19I94.7Very high90.6Very high1 Ų159.1 Ų59.11%0.00534%0.337CS..Hα-helixtrans-63.3-47.2175.8-58174.1000110.4T11 D14 A15 C16 H21 S22 L23 V44 L54 I58T11-I19 WeakPolarHBondContact O-CD1 3.4Å; D14-I19 HydrophobicContact CB-CD1 4.39Å; D14-I19 HydrophobicContact CB-CG1 4.03Å; A15-I19 PolarHBondContact O-N 2.94Å; C16-I19 PolarHBondContact O-N 2.84Å; I19-H21 VanDerWaalsContact C-N 3.33Å; I19-H21 PolarHBondContact O-N 3.14Å; I19-S22 PolarHBondContact O-N 2.94Å; I19-L23 HydrophobicContact CG2-CD1 3.93Å; I19-L23 HydrophobicContact CG2-CG 4.36Å; I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 WeakPolarHBondContact O-CG 3.16Å; I19-L23 PolarHBondContact O-N 2.85Å; I19-V44 HydrophobicContact CB-CG1 4.34Å; I19-V44 HydrophobicContact CG2-CG1 4.2Å; I19-V44 HydrophobicContact CG2-CG2 3.93Å; I19-L54 HydrophobicContact CD1-CD2 3.98Å; I19-L54 HydrophobicContact CG2-CD1 4.25Å; I19-I58 HydrophobicContact CD1-CD1 4.3Å; I19-I58 HydrophobicContact CG1-CD1 4.31Å; I19-I58 HydrophobicContact CG2-CD1 3.81Å; I19-I58 HydrophobicContact CG2-CG1 3.94Å
20V96.5Very high91Very high10 Ų1058.2 Ų58.26%0.06135%0.345CS..Hα-helixtrans-58.7-44.1175.2168.30000111.1C16 L17 L23 M24 I40 E41 V44C16-V20 WeakPolarHBondContact O-CB 3.07Å; C16-V20 WeakPolarHBondContact O-CG2 3.4Å; C16-V20 PolarHBondContact O-N 3.3Å; L17-V20 PolarHBondContact O-N 3.05Å; V20-L23 PolarHBondContact O-N 2.97Å; V20-M24 HydrophobicContact CG1-CG 4.38Å; V20-M24 WeakPolarHBondContact O-CB 3.41Å; V20-M24 VanDerWaalsContact O-CG 3.25Å; V20-M24 WeakPolarHBondContact O-CG 3.47Å; V20-M24 PolarHBondContact O-N 3.23Å; V20-I40 HydrophobicContact CB-CG2 4.32Å; V20-I40 HydrophobicContact CG1-CG2 4.22Å; V20-I40 HydrophobicContact CG2-CG2 4.13Å; V20-E41 HydrophobicContact CG1-CG 3.94Å; V20-E41 HydrophobicContact CG2-CG 4.07Å; V20-V44 HydrophobicContact CG2-CB 4.11Å; V20-V44 HydrophobicContact CG2-CG1 4.44Å; V20-V44 HydrophobicContact CG2-CG2 3.98Å
21H93.6Very high91.3Very high134 Ų13458.3 Ų58.362%0.6234%0.343SS*.Hα-helixtrans-61.4-48.3178.5-175.7-85.2000111.8L17 S18 I19 M24 C25L17-H21 WeakPolarHBondContact O-CB 3.16Å; L17-H21 PolarHBondContact O-N 3.28Å; S18-H21 PolarHBondContact O-N 2.93Å; I19-H21 VanDerWaalsContact C-N 3.33Å; I19-H21 PolarHBondContact O-N 3.14Å; H21-M24 WeakPolarHBondContact O-CB 3.35Å; H21-M24 PolarHBondContact O-N 3.19Å; H21-C25 PolarHBondContact O-N 3.49Å; H21-C25 PolarHBondContact O-SG 2.57Å; H21-C25 VanDerWaalsContact O-SG 3.33Å
22S95.4Very high91.4Very high20 Ų2058.6 Ų58.614%0.1435%0.348CS..Hα-helixtrans-59.8-49.7176171.50000112.1P10 S18 I19 M24 C25 H26P10-S22 WeakPolarHBondContact CG-OG 3.29Å; S18-S22 PolarHBondContact O-N 3.42Å; I19-S22 PolarHBondContact O-N 2.94Å; S22-M24 PolarHBondContact O-N 2.84Å; S22-C25 WeakPolarHBondContact O-CB 3.19Å; S22-C25 PolarHBondContact O-N 2.75Å; S22-H26 PolarHBondContact O-CD2 2.9Å; S22-H26 VanDerWaalsContact O-CD2 3.26Å
23L96.2Very high91.6Very high0 Ų063.7 Ų63.70%037%0.37CS..Hα-helixtrans-63.2-27.5179.4-70.2178000113.3I19 V20 I40 V44 L57 I61 W99I19-L23 HydrophobicContact CG2-CD1 3.93Å; I19-L23 HydrophobicContact CG2-CG 4.36Å; I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 WeakPolarHBondContact O-CG 3.16Å; I19-L23 PolarHBondContact O-N 2.85Å; V20-L23 PolarHBondContact O-N 2.97Å; L23-I40 HydrophobicContact CB-CD1 4.37Å; L23-I40 HydrophobicContact CB-CG2 3.79Å; L23-I40 HydrophobicContact CD1-CG2 3.91Å; L23-V44 HydrophobicContact CD1-CG2 3.82Å; L23-L57 HydrophobicContact CD1-CD2 4.13Å; L23-I61 HydrophobicContact CD2-CB 3.71Å; L23-I61 HydrophobicContact CD2-CG1 3.82Å; L23-I61 HydrophobicContact CD2-CG2 3.82Å; L23-W99 HydrophobicContact CB-CZ2 4.12Å; L23-W99 HydrophobicContact CD1-CZ2 4.41Å; L23-W99 HydrophobicContact CD2-CZ2 4.43Å; L23-W99 PolarHBondContact O-NE1 3.44Å
24M95.8Very high91.7Very high27 Ų2763.5 Ų63.513%0.13337%0.373CS..Hα-helixtrans-69.7-30.1172.8-81.5-69.8-66.400113.1V20 H21 S22 H26 R27 E33 A36 K37 I40V20-M24 HydrophobicContact CG1-CG 4.38Å; V20-M24 WeakPolarHBondContact O-CB 3.41Å; V20-M24 VanDerWaalsContact O-CG 3.25Å; V20-M24 WeakPolarHBondContact O-CG 3.47Å; V20-M24 PolarHBondContact O-N 3.23Å; H21-M24 WeakPolarHBondContact O-CB 3.35Å; H21-M24 PolarHBondContact O-N 3.19Å; S22-M24 PolarHBondContact O-N 2.84Å; M24-H26 PolarHBondContact O-N 2.99Å; M24-R27 WeakPolarHBondContact O-CD 3.36Å; M24-R27 VanDerWaalsContact O-CG 3.3Å; M24-R27 WeakPolarHBondContact O-CG 3.45Å; M24-R27 PolarHBondContact O-N 3.38Å; M24-E33 HydrophobicContact CE-CG 3.7Å; M24-A36 HydrophobicContact CE-CB 4.3Å; M24-A36 HydrophobicContact SD-CB 4Å; M24-K37 HydrophobicContact CE-CB 4.16Å; M24-K37 HydrophobicContact SD-CB 4.12Å; M24-I40 HydrophobicContact CG-CD1 3.89Å; M24-I40 HydrophobicContact SD-CD1 3.56Å; M24-I40 VanDerWaalsContact SD-CD1 3.56Å
25C95.1Very high92Very high91 Ų9160.6 Ų60.662%0.61536%0.357SS*.Hα-helixtrans-67.4-21.7177.8-63.80000113.3H21 S22H21-C25 PolarHBondContact O-N 3.49Å; H21-C25 PolarHBondContact O-SG 2.57Å; H21-C25 VanDerWaalsContact O-SG 3.33Å; S22-C25 WeakPolarHBondContact O-CB 3.19Å; S22-C25 PolarHBondContact O-N 2.75Å
26H95.1Very high92.2Very high69 Ų6957.7 Ų57.732%0.31933%0.333SS..THydrogen-bonded Turntrans-99.412.1-177.5-64-80.4000113.9S22 M24 I61S22-H26 PolarHBondContact O-CD2 2.9Å; S22-H26 VanDerWaalsContact O-CD2 3.26Å; M24-H26 PolarHBondContact O-N 2.99Å; H26-I61 HydrophobicContact CB-CG2 3.43Å; H26-I61 VanDerWaalsContact CB-CG2 3.43Å
27R94.5Very high92.4Very high88 Ų8860 Ų6033%0.33234%0.338SS..  trans-74.4141.917974.6-171.4177.581.7-0.7111.6M24 G29 L98M24-R27 WeakPolarHBondContact O-CD 3.36Å; M24-R27 VanDerWaalsContact O-CG 3.3Å; M24-R27 WeakPolarHBondContact O-CG 3.45Å; M24-R27 PolarHBondContact O-N 3.38Å; R27-G29 PolarHBondContact O-N 3.29Å; R27-L98 VanDerWaalsContact CA-O 3.28Å; R27-L98 WeakPolarHBondContact CA-O 3.25Å; R27-L98 HydrophobicContact CB-CD2 4.1Å
28Q89.9Confident92.6Very high98 Ų9861.3 Ų61.346%0.45833%0.333SS..  trans-87.63.1-175.5-57.3-64.3-19.700114.8L98 W99 P102Q28-L98 PolarHBondContact N-O 3.07Å; Q28-W99 WeakPolarHBondContact CG-O 3.24Å; Q28-W99 PolarHBondContact NE2-O 2.9Å; Q28-P102 HydrophobicContact CB-CG 4.26Å
29G75.9Confident92.8Very high24 Ų2458.3 Ų58.325%0.24731%0.312CS..SBendtrans87.9-153.3-171.400000112.9R27 E31R27-G29 PolarHBondContact O-N 3.29Å; G29-E31 PolarHBondContact O-N 3.02Å
30G80.5Confident92.9Very high70 Ų7058.3 Ų58.372%0.72231%0.312SS*.SBendtrans73.8-46.2-17900000115.5
31E87.5Confident92.9Very high26 Ų2660.5 Ų60.512%0.12132%0.322CS..SBendtrans-98.9145.5178.1-64.5-69.9-175.900112.2G29 F35 R87 R97G29-E31 PolarHBondContact O-N 3.02Å; E31-F35 HydrophobicContact CB-CD1 4.12Å; E31-F35 HydrophobicContact CG-CD1 4.42Å; E31-F35 HydrophobicContact CG-CE1 4.42Å; E31-R87 IonicContact OE2-CZ 3.34Å; E31-R87 VanDerWaalsContact OE2-CZ 3.25Å; E31-R87 IonicContact OE2-NH1 2.7Å; E31-R87 PolarHBondContact OE2-NH1 2.87Å; E31-R87 IonicContact OE2-NH2 3.28Å; E31-R87 PolarHBondContact OE2-NH2 3.18Å; E31-R97 HydrophobicContact CG-CG 4.47Å; E31-R97 WeakPolarHBondContact OE1-CD 3.24Å; E31-R97 IonicContact OE1-CZ 3.05Å; E31-R97 IonicContact OE1-NE 2.65Å; E31-R97 IonicContact OE1-NH1 3.25Å; E31-R97 PolarHBondContact OE1-NH1 2.91Å
32S91.9Very high93Very high62 Ų6256 Ų5643%0.43431%0.305SS..  trans-59.1142.3178.563.60000112.5T34 F35 A36S32-T34 VanDerWaalsContact C-N 3.28Å; S32-T34 PolarHBondContact O-N 3.04Å; S32-F35 PolarHBondContact O-N 2.73Å; S32-F35 VanDerWaalsContact OG-CB 3.31Å; S32-F35 WeakPolarHBondContact OG-CB 3.48Å; S32-A36 PolarHBondContact O-N 2.9Å
33E92.6Very high93.2Very high120 Ų12055 Ų5556%0.56130%0.299SS*.Hα-helixtrans-58.9-39.7-176.6-169-173137.200112.5M24 F35 A36 K37M24-E33 HydrophobicContact CE-CG 3.7Å; E33-F35 VanDerWaalsContact C-N 3.33Å; E33-F35 PolarHBondContact O-N 3.19Å; E33-A36 PolarHBondContact O-N 3.26Å; E33-K37 VanDerWaalsContact O-CB 3.31Å; E33-K37 WeakPolarHBondContact O-CB 3.37Å; E33-K37 PolarHBondContact O-N 3.03Å
34T91.8Very high93.2Very high111 Ų11155 Ų5568%0.68130%0.299SS*.Hα-helixtrans-62-39.4176.753.60000112S32 R38S32-T34 VanDerWaalsContact C-N 3.28Å; S32-T34 PolarHBondContact O-N 3.04Å; T34-R38 WeakPolarHBondContact O-CG 3.34Å; T34-R38 PolarHBondContact O-N 3.43Å
35F95.3Very high93.2Very high10 Ų1061.9 Ų61.94%0.04433%0.327CS..Hα-helixtrans-70.8-47.2173.6175.3-93000112.1E31 S32 E33 K37 R38 A39 V84 A85 R87 I94E31-F35 HydrophobicContact CB-CD1 4.12Å; E31-F35 HydrophobicContact CG-CD1 4.42Å; E31-F35 HydrophobicContact CG-CE1 4.42Å; S32-F35 PolarHBondContact O-N 2.73Å; S32-F35 VanDerWaalsContact OG-CB 3.31Å; S32-F35 WeakPolarHBondContact OG-CB 3.48Å; E33-F35 VanDerWaalsContact C-N 3.33Å; E33-F35 PolarHBondContact O-N 3.19Å; F35-K37 VanDerWaalsContact C-N 3.32Å; F35-K37 PolarHBondContact O-N 3Å; F35-R38 PolarHBondContact O-N 2.74Å; F35-R38 VanDerWaalsContact O-N 3.16Å; F35-A39 WeakPolarHBondContact O-CB 3.32Å; F35-A39 PolarHBondContact O-N 2.81Å; F35-V84 HydrophobicContact CD2-CB 4.32Å; F35-V84 HydrophobicContact CD2-CG1 4.02Å; F35-V84 HydrophobicContact CE2-CB 3.65Å; F35-V84 HydrophobicContact CE2-CG1 3.83Å; F35-V84 WeakPolarHBondContact CE2-O 3.44Å; F35-V84 HydrophobicContact CZ-CB 4.11Å; F35-V84 HydrophobicContact CZ-CG1 4.36Å; F35-A85 HydrophobicContact CD2-CB 4.25Å; F35-R87 VanDerWaalsContact CE1-NH2 3.33Å; F35-R87 HydrophobicContact CE2-CB 4.3Å; F35-R87 VanDerWaalsContact CE2-NH2 3.29Å; F35-I94 HydrophobicContact CE1-CG2 4.28Å; F35-I94 HydrophobicContact CZ-CG2 4.24Å
36A96.1Very high93.2Very high2 Ų262.1 Ų62.12%0.01732%0.318CS..Hα-helixtrans-57.1-47.1-178.700000111M24 S32 E33 R38 A39 I40 L98M24-A36 HydrophobicContact CE-CB 4.3Å; M24-A36 HydrophobicContact SD-CB 4Å; S32-A36 PolarHBondContact O-N 2.9Å; E33-A36 PolarHBondContact O-N 3.26Å; A36-R38 PolarHBondContact O-N 3.08Å; A36-A39 WeakPolarHBondContact O-CB 3.44Å; A36-A39 PolarHBondContact O-N 3.37Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 2.81Å; A36-L98 HydrophobicContact CB-CD1 3.86Å; A36-L98 HydrophobicContact CB-CG 4.46Å
37K95.8Very high93.3Very high100 Ų10058.8 Ų58.844%0.43530%0.303SS..Hα-helixtrans-58-48.6175.1-175.1171.9179.6172.20111.9M24 E33 F35 A39 I40 E41M24-K37 HydrophobicContact CE-CB 4.16Å; M24-K37 HydrophobicContact SD-CB 4.12Å; E33-K37 VanDerWaalsContact O-CB 3.31Å; E33-K37 WeakPolarHBondContact O-CB 3.37Å; E33-K37 PolarHBondContact O-N 3.03Å; F35-K37 VanDerWaalsContact C-N 3.32Å; F35-K37 PolarHBondContact O-N 3Å; K37-A39 VanDerWaalsContact C-N 3.33Å; K37-A39 PolarHBondContact O-N 2.76Å; K37-I40 PolarHBondContact O-N 3Å; K37-E41 WeakPolarHBondContact CE-OE1 3.43Å; K37-E41 HydrophobicContact CG-CG 4.31Å; K37-E41 WeakPolarHBondContact CG-OE1 3.46Å; K37-E41 VanDerWaalsContact O-CB 3.32Å; K37-E41 WeakPolarHBondContact O-CB 3.19Å; K37-E41 VanDerWaalsContact O-CG 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.45Å; K37-E41 PolarHBondContact O-N 3.4Å
38R96.8Very high93.2Very high162 Ų16260.1 Ų60.161%0.61131%0.311SS*.Hα-helixtrans-64.1-34.4178-68.7-67.9-166.7168.25.8113.3T34 F35 A36 S42 V84T34-R38 WeakPolarHBondContact O-CG 3.34Å; T34-R38 PolarHBondContact O-N 3.43Å; F35-R38 PolarHBondContact O-N 2.74Å; F35-R38 VanDerWaalsContact O-N 3.16Å; A36-R38 PolarHBondContact O-N 3.08Å; R38-S42 VanDerWaalsContact O-CB 3.27Å; R38-S42 WeakPolarHBondContact O-CB 3.4Å; R38-S42 PolarHBondContact O-N 3.02Å; R38-S42 VanDerWaalsContact O-N 3.1Å; R38-V84 HydrophobicContact CB-CG1 4.08Å
39A97.1Very high93.4Very high0 Ų063.2 Ų63.20%033%0.325CS..Hα-helixtrans-66-49.6175.400000110.9F35 A36 K37 S42 L43 V84 Y95 L98F35-A39 WeakPolarHBondContact O-CB 3.32Å; F35-A39 PolarHBondContact O-N 2.81Å; A36-A39 WeakPolarHBondContact O-CB 3.44Å; A36-A39 PolarHBondContact O-N 3.37Å; K37-A39 VanDerWaalsContact C-N 3.33Å; K37-A39 PolarHBondContact O-N 2.76Å; A39-S42 PolarHBondContact O-N 2.93Å; A39-L43 PolarHBondContact O-N 2.83Å; A39-V84 HydrophobicContact CB-CG1 4.03Å; A39-Y95 HydrophobicContact CB-CE1 4.21Å; A39-Y95 PolarHBondContact O-OH 3.41Å; A39-L98 HydrophobicContact CB-CD1 4.17Å
40I97.6Very high94.4Very high0 Ų065.5 Ų65.50%033%0.328CS..Hα-helixtrans-67.1-44.2-179.7-62.5171.3000111V20 L23 M24 A36 K37 S42 L43 V44 L98 W99V20-I40 HydrophobicContact CB-CG2 4.32Å; V20-I40 HydrophobicContact CG1-CG2 4.22Å; V20-I40 HydrophobicContact CG2-CG2 4.13Å; L23-I40 HydrophobicContact CB-CD1 4.37Å; L23-I40 HydrophobicContact CB-CG2 3.79Å; L23-I40 HydrophobicContact CD1-CG2 3.91Å; M24-I40 HydrophobicContact CG-CD1 3.89Å; M24-I40 HydrophobicContact SD-CD1 3.56Å; M24-I40 VanDerWaalsContact SD-CD1 3.56Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 2.81Å; K37-I40 PolarHBondContact O-N 3Å; I40-S42 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 2.94Å; I40-L43 PolarHBondContact O-N 2.93Å; I40-L43 VanDerWaalsContact O-N 3.14Å; I40-V44 HydrophobicContact CG2-CG2 4.11Å; I40-V44 WeakPolarHBondContact O-CG2 3.46Å; I40-V44 PolarHBondContact O-N 2.74Å; I40-L98 HydrophobicContact CD1-CD1 4.31Å; I40-L98 HydrophobicContact CD1-CD2 3.64Å; I40-L98 HydrophobicContact CG1-CD1 4.2Å; I40-L98 HydrophobicContact CG1-CD2 4.12Å; I40-W99 HydrophobicContact CD1-CZ2 3.8Å; I40-W99 HydrophobicContact CG1-CH2 4.09Å; I40-W99 HydrophobicContact CG1-CZ2 3.66Å
41E96.9Very high95Very high57 Ų5767 Ų6727%0.26632%0.315SS..Hα-helixtrans-54.7-45.2173.3-76.6173.2176.600111.8V20 K37 K45V20-E41 HydrophobicContact CG1-CG 3.94Å; V20-E41 HydrophobicContact CG2-CG 4.07Å; K37-E41 WeakPolarHBondContact CE-OE1 3.43Å; K37-E41 HydrophobicContact CG-CG 4.31Å; K37-E41 WeakPolarHBondContact CG-OE1 3.46Å; K37-E41 VanDerWaalsContact O-CB 3.32Å; K37-E41 WeakPolarHBondContact O-CB 3.19Å; K37-E41 VanDerWaalsContact O-CG 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.45Å; K37-E41 PolarHBondContact O-N 3.4Å; E41-K45 WeakPolarHBondContact O-CB 3.33Å; E41-K45 PolarHBondContact O-N 3.17Å
42S96.4Very high95.5Very high39 Ų3971.1 Ų71.127%0.27334%0.338SS..Hα-helixtrans-66.7-37.6177.4-171.60000112.4R38 A39 I40 K46R38-S42 VanDerWaalsContact O-CB 3.27Å; R38-S42 WeakPolarHBondContact O-CB 3.4Å; R38-S42 PolarHBondContact O-N 3.02Å; R38-S42 VanDerWaalsContact O-N 3.1Å; A39-S42 PolarHBondContact O-N 2.93Å; I40-S42 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 2.94Å; S42-K46 WeakPolarHBondContact O-CB 3.31Å; S42-K46 VanDerWaalsContact O-CG 3.29Å; S42-K46 WeakPolarHBondContact O-CG 3.35Å; S42-K46 PolarHBondContact O-N 3.34Å; S42-K46 VanDerWaalsContact O-N 3.11Å
43L97.6Very high95.7Very high0 Ų069.9 Ų69.90%033%0.325CS..Hα-helixtrans-69.1-52.5177.6-174.459000111.9A39 I40 K45 K46 L47 L57 I74 Y95 W99 V128A39-L43 PolarHBondContact O-N 2.83Å; I40-L43 PolarHBondContact O-N 2.93Å; I40-L43 VanDerWaalsContact O-N 3.14Å; L43-K45 PolarHBondContact O-N 2.68Å; L43-K46 WeakPolarHBondContact O-CA 3.43Å; L43-K46 WeakPolarHBondContact O-CB 3.23Å; L43-K46 PolarHBondContact O-N 3.12Å; L43-L47 HydrophobicContact CD1-CD1 3.86Å; L43-L47 HydrophobicContact CD1-CG 4.06Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 HydrophobicContact CG-CD1 3.8Å; L43-L47 HydrophobicContact CG-CG 4.35Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.46Å; L43-L57 HydrophobicContact CD2-CD2 3.59Å; L43-L57 HydrophobicContact CG-CD2 4.15Å; L43-I74 HydrophobicContact CD1-CG2 3.61Å; L43-Y95 HydrophobicContact CB-CE1 3.95Å; L43-Y95 HydrophobicContact CD1-CE2 4.34Å; L43-Y95 HydrophobicContact CD2-CD1 3.94Å; L43-Y95 HydrophobicContact CD2-CE1 3.75Å; L43-Y95 HydrophobicContact CD2-CE2 4.41Å; L43-Y95 HydrophobicContact CD2-CG 4.37Å; L43-Y95 HydrophobicContact CG-CE1 4.35Å; L43-W99 HydrophobicContact CD2-CH2 3.88Å; L43-W99 HydrophobicContact CD2-CZ3 4.09Å; L43-V128 HydrophobicContact CD1-CG2 3.88Å; L43-V128 HydrophobicContact CD2-CG2 4.34Å
44V97.4Very high95.9Very high0 Ų064.3 Ų64.30%030%0.299CS..Hα-helixtrans-58-40.3178.5174.70000110.4C16 I19 V20 L23 I40 K46 L47 K48 L54C16-V44 HydrophobicContact CB-CG1 3.97Å; I19-V44 HydrophobicContact CB-CG1 4.34Å; I19-V44 HydrophobicContact CG2-CG1 4.2Å; I19-V44 HydrophobicContact CG2-CG2 3.93Å; V20-V44 HydrophobicContact CG2-CB 4.11Å; V20-V44 HydrophobicContact CG2-CG1 4.44Å; V20-V44 HydrophobicContact CG2-CG2 3.98Å; L23-V44 HydrophobicContact CD1-CG2 3.82Å; I40-V44 HydrophobicContact CG2-CG2 4.11Å; I40-V44 WeakPolarHBondContact O-CG2 3.46Å; I40-V44 PolarHBondContact O-N 2.74Å; V44-K46 PolarHBondContact O-N 2.69Å; V44-L47 PolarHBondContact O-N 2.77Å; V44-K48 PolarHBondContact O-N 2.79Å; V44-L54 HydrophobicContact CG1-CD1 4.45Å; V44-L54 HydrophobicContact CG2-CD1 4.38Å
45K96Very high96.1Very high170 Ų17061.3 Ų61.374%0.73928%0.279SS*.Hα-helixtrans-62.4-38.5174.1-173.5176.7-179.3179.80113.1E41 L43E41-K45 WeakPolarHBondContact O-CB 3.33Å; E41-K45 PolarHBondContact O-N 3.17Å; L43-K45 PolarHBondContact O-N 2.68Å
46K95.3Very high96.2Very high96 Ų9661.5 Ų61.542%0.41728%0.282SS..Hα-helixtrans-73-26.6176.6-76.2178179.6-167.30113.6S42 L43 V44 I74S42-K46 WeakPolarHBondContact O-CB 3.31Å; S42-K46 VanDerWaalsContact O-CG 3.29Å; S42-K46 WeakPolarHBondContact O-CG 3.35Å; S42-K46 PolarHBondContact O-N 3.34Å; S42-K46 VanDerWaalsContact O-N 3.11Å; L43-K46 WeakPolarHBondContact O-CA 3.43Å; L43-K46 WeakPolarHBondContact O-CB 3.23Å; L43-K46 PolarHBondContact O-N 3.12Å; V44-K46 PolarHBondContact O-N 2.69Å; K46-I74 HydrophobicContact CD-CG2 4.34Å
47L96.9Very high96.2Very high0 Ų061.4 Ų61.40%028%0.281CS..Hα-helixtrans-93.8-5.6-179.7-63.6176.7000113.8L43 V44 E49 K50 E53 L54 L57 V72 T73L43-L47 HydrophobicContact CD1-CD1 3.86Å; L43-L47 HydrophobicContact CD1-CG 4.06Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 HydrophobicContact CG-CD1 3.8Å; L43-L47 HydrophobicContact CG-CG 4.35Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.46Å; V44-L47 PolarHBondContact O-N 2.77Å; L47-E49 VanDerWaalsContact C-N 3.27Å; L47-E49 PolarHBondContact O-N 3.28Å; L47-K50 CarbonylContact O-C 3.3Å; L47-K50 VanDerWaalsContact O-C 3.3Å; L47-K50 WeakPolarHBondContact O-CA 3.5Å; L47-K50 PolarHBondContact O-N 3.06Å; L47-E53 HydrophobicContact CD2-CB 4.29Å; L47-E53 WeakPolarHBondContact CD2-OE2 3.48Å; L47-L54 HydrophobicContact CB-CB 4.14Å; L47-L54 HydrophobicContact CB-CD1 4.13Å; L47-L54 HydrophobicContact CD1-CD1 4.25Å; L47-L57 HydrophobicContact CD1-CB 4.5Å; L47-L57 HydrophobicContact CD1-CD2 3.68Å; L47-V72 HydrophobicContact CD1-CG1 3.43Å; L47-V72 VanDerWaalsContact CD1-CG1 3.43Å; L47-V72 HydrophobicContact CD2-CG1 3.98Å; L47-V72 HydrophobicContact CG-CG1 4.36Å; L47-T73 WeakPolarHBondContact CD2-O 3.5Å
48K92.8Very high96.2Very high115 Ų11556.7 Ų56.750%0.526%0.26SS..THydrogen-bonded Turntrans-54.6-39.6-176-170.3-174.6175.3-166.70113.7V44 K50V44-K48 PolarHBondContact O-N 2.79Å; K48-K50 VanDerWaalsContact C-N 3.26Å; K48-K50 PolarHBondContact O-N 3.44Å
49E93.5Very high96.2Very high164 Ų16451.9 Ų51.977%0.76625%0.249SC*.THydrogen-bonded Turntrans-83.40.8178.3-50.3-50.5130.600113.1L47L47-E49 VanDerWaalsContact C-N 3.27Å; L47-E49 PolarHBondContact O-N 3.28Å
50K96Very high96.1Very high71 Ų7152 Ų5231%0.30925%0.25SC..  trans-126.263.1-178.8-65-168.9-68.91540110.3L47 K48 D52 E53 L54 T73L47-K50 CarbonylContact O-C 3.3Å; L47-K50 VanDerWaalsContact O-C 3.3Å; L47-K50 WeakPolarHBondContact O-CA 3.5Å; L47-K50 PolarHBondContact O-N 3.06Å; K48-K50 VanDerWaalsContact C-N 3.26Å; K48-K50 PolarHBondContact O-N 3.44Å; K50-D52 VanDerWaalsContact C-N 3.32Å; K50-D52 PolarHBondContact O-N 3.28Å; K50-E53 HydrophobicContact CB-CB 4.29Å; K50-E53 HydrophobicContact CB-CG 4.35Å; K50-E53 WeakPolarHBondContact CE-OE2 3.39Å; K50-E53 VanDerWaalsContact NZ-CD 3.33Å; K50-E53 IonicContact NZ-OE1 2.68Å; K50-E53 PolarHBondContact NZ-OE1 2.85Å; K50-E53 IonicContact NZ-OE2 2.73Å; K50-E53 PolarHBondContact NZ-OE2 3.46Å; K50-E53 PolarHBondContact O-N 3.4Å; K50-L54 PolarHBondContact O-N 3.23Å; K50-T73 PolarHBondContact NZ-O 3.41Å; K50-T73 PolarHBondContact NZ-OG1 3.16Å
51K94.8Very high96.1Very high102 Ų10252.1 Ų52.144%0.44325%0.25SS..Hα-helixtrans-49.5-45.9-174-73.3-167174.4-173.90114S12 N13 E53 L54 D55S12-K51 WeakPolarHBondContact OG-CB 3.49Å; N13-K51 PolarHBondContact OD1-NZ 3.34Å; K51-E53 VanDerWaalsContact C-N 3.28Å; K51-E53 PolarHBondContact O-N 2.9Å; K51-L54 WeakPolarHBondContact O-CB 3.31Å; K51-L54 PolarHBondContact O-N 3.32Å; K51-D55 PolarHBondContact O-N 3.47Å
52D96.2Very high96Very high113 Ų11351 Ų5160%0.60425%0.248SC*.Hα-helixtrans-57.4-37.3177.5-67.7-59.8000113.7K50 S56K50-D52 VanDerWaalsContact C-N 3.32Å; K50-D52 PolarHBondContact O-N 3.28Å; D52-S56 WeakPolarHBondContact O-CB 3.5Å; D52-S56 PolarHBondContact O-N 3.39Å; D52-S56 VanDerWaalsContact O-N 3.08Å
53E97.4Very high95.9Very high35 Ų3551.4 Ų51.416%0.16425%0.248CC..Hα-helixtrans-76.8-33.2176.1-64.1-169.1-17700111.6L47 K50 K51 S56 L57 V72 T73L47-E53 HydrophobicContact CD2-CB 4.29Å; L47-E53 WeakPolarHBondContact CD2-OE2 3.48Å; K50-E53 HydrophobicContact CB-CB 4.29Å; K50-E53 HydrophobicContact CB-CG 4.35Å; K50-E53 WeakPolarHBondContact CE-OE2 3.39Å; K50-E53 VanDerWaalsContact NZ-CD 3.33Å; K50-E53 IonicContact NZ-OE1 2.68Å; K50-E53 PolarHBondContact NZ-OE1 2.85Å; K50-E53 IonicContact NZ-OE2 2.73Å; K50-E53 PolarHBondContact NZ-OE2 3.46Å; K50-E53 PolarHBondContact O-N 3.4Å; K51-E53 VanDerWaalsContact C-N 3.28Å; K51-E53 PolarHBondContact O-N 2.9Å; E53-S56 PolarHBondContact O-N 2.97Å; E53-L57 WeakPolarHBondContact O-CB 3.44Å; E53-L57 PolarHBondContact O-N 2.88Å; E53-V72 WeakPolarHBondContact O-CG2 3.21Å; E53-T73 PolarHBondContact OE1-OG1 2.65Å; E53-T73 PolarHBondContact OE2-N 2.74Å; E53-T73 PolarHBondContact OE2-OG1 2.9Å; E53-T73 VanDerWaalsContact OE2-OG1 3.12Å
54L96.9Very high95.6Very high3 Ų356.6 Ų56.62%0.01628%0.276CS..Hα-helixtrans-68.8-45.2176.4-175.454.7000111.5I19 V44 L47 K50 K51 S56 L57 I58I19-L54 HydrophobicContact CD1-CD2 3.98Å; I19-L54 HydrophobicContact CG2-CD1 4.25Å; V44-L54 HydrophobicContact CG1-CD1 4.45Å; V44-L54 HydrophobicContact CG2-CD1 4.38Å; L47-L54 HydrophobicContact CB-CB 4.14Å; L47-L54 HydrophobicContact CB-CD1 4.13Å; L47-L54 HydrophobicContact CD1-CD1 4.25Å; K50-L54 PolarHBondContact O-N 3.23Å; K51-L54 WeakPolarHBondContact O-CB 3.31Å; K51-L54 PolarHBondContact O-N 3.32Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-L57 WeakPolarHBondContact O-CB 3.37Å; L54-L57 PolarHBondContact O-N 3.08Å; L54-I58 HydrophobicContact CD1-CD1 4.46Å; L54-I58 HydrophobicContact CG-CD1 4.22Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.43Å; L54-I58 PolarHBondContact O-N 2.85Å
55D95.8Very high95.4Very high49 Ų4957.9 Ų57.926%0.26229%0.289SS..Hα-helixtrans-59.8-45.3171.3-76.3-48.5000110.7T11 S12 K51 L57 I58 T59T11-D55 WeakPolarHBondContact CA-OD1 3.25Å; S12-D55 VanDerWaalsContact CB-CG 3.48Å; S12-D55 WeakPolarHBondContact CB-OD1 3.5Å; S12-D55 WeakPolarHBondContact CB-OD2 3.5Å; S12-D55 PolarHBondContact N-OD1 3.02Å; S12-D55 VanDerWaalsContact OG-CG 3.28Å; S12-D55 PolarHBondContact OG-OD1 3.11Å; S12-D55 PolarHBondContact OG-OD2 3.45Å; K51-D55 PolarHBondContact O-N 3.47Å; D55-L57 VanDerWaalsContact C-N 3.28Å; D55-L57 PolarHBondContact O-N 2.95Å; D55-I58 PolarHBondContact O-N 2.95Å; D55-T59 PolarHBondContact O-N 2.83Å; D55-T59 PolarHBondContact O-OG1 3.29Å; D55-T59 VanDerWaalsContact O-OG1 3.04Å
56S96.6Very high95.1Very high13 Ų1353.2 Ų53.29%0.09128%0.282CS..Hα-helixtrans-61.3-34.1175.8-174.20000113.2D52 E53 L54 A60 K70D52-S56 WeakPolarHBondContact O-CB 3.5Å; D52-S56 PolarHBondContact O-N 3.39Å; D52-S56 VanDerWaalsContact O-N 3.08Å; E53-S56 PolarHBondContact O-N 2.97Å; L54-S56 VanDerWaalsContact C-N 3.33Å; S56-A60 WeakPolarHBondContact O-CB 3.36Å; S56-A60 PolarHBondContact O-N 3.27Å; S56-A60 VanDerWaalsContact O-N 3.1Å; S56-K70 WeakPolarHBondContact OG-CA 3.48Å; S56-K70 PolarHBondContact OG-N 3.42Å; S56-K70 PolarHBondContact OG-O 3.22Å
57L97.4Very high94.7Very high0 Ų054.2 Ų54.20%029%0.288CS..Hα-helixtrans-67.9-50.3172.7178.864.9000110.5L23 L43 L47 E53 L54 D55 T59 A60 I61 V72 W99L23-L57 HydrophobicContact CD1-CD2 4.13Å; L43-L57 HydrophobicContact CD2-CD2 3.59Å; L43-L57 HydrophobicContact CG-CD2 4.15Å; L47-L57 HydrophobicContact CD1-CB 4.5Å; L47-L57 HydrophobicContact CD1-CD2 3.68Å; E53-L57 WeakPolarHBondContact O-CB 3.44Å; E53-L57 PolarHBondContact O-N 2.88Å; L54-L57 WeakPolarHBondContact O-CB 3.37Å; L54-L57 PolarHBondContact O-N 3.08Å; D55-L57 VanDerWaalsContact C-N 3.28Å; D55-L57 PolarHBondContact O-N 2.95Å; L57-T59 PolarHBondContact O-N 2.95Å; L57-A60 PolarHBondContact O-N 3.46Å; L57-I61 HydrophobicContact CD1-CD1 4.24Å; L57-I61 HydrophobicContact CD1-CG1 3.92Å; L57-I61 HydrophobicContact CG-CG1 4.37Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 3.47Å; L57-V72 HydrophobicContact CB-CG1 4.01Å; L57-V72 HydrophobicContact CB-CG2 3.82Å; L57-V72 HydrophobicContact CD1-CG1 4.31Å; L57-V72 HydrophobicContact CD1-CG2 4.37Å; L57-V72 HydrophobicContact CD2-CG1 4.38Å; L57-V72 HydrophobicContact CG-CG1 4.46Å; L57-W99 HydrophobicContact CD1-CH2 4.48Å; L57-W99 HydrophobicContact CD1-CZ3 4.3Å
58I95.7Very high94.3Very high1 Ų160.1 Ų60.11%0.00533%0.327CS..Hα-helixtrans-57.6-51.9-179-63.6160.4000109.5T9 P10 I19 L54 D55 A60 I61 T62T9-I58 HydrophobicContact CG2-CG2 4.41Å; P10-I58 HydrophobicContact CG-CG2 4.03Å; P10-I58 VanDerWaalsContact O-CG2 3.29Å; P10-I58 WeakPolarHBondContact O-CG2 3.27Å; I19-I58 HydrophobicContact CD1-CD1 4.3Å; I19-I58 HydrophobicContact CG1-CD1 4.31Å; I19-I58 HydrophobicContact CG2-CD1 3.81Å; I19-I58 HydrophobicContact CG2-CG1 3.94Å; L54-I58 HydrophobicContact CD1-CD1 4.46Å; L54-I58 HydrophobicContact CG-CD1 4.22Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.43Å; L54-I58 PolarHBondContact O-N 2.85Å; D55-I58 PolarHBondContact O-N 2.95Å; I58-A60 VanDerWaalsContact C-N 3.35Å; I58-A60 PolarHBondContact O-N 3.37Å; I58-I61 PolarHBondContact O-N 3.43Å; I58-T62 HydrophobicContact CG2-CG2 3.92Å; I58-T62 WeakPolarHBondContact O-CB 3.46Å; I58-T62 WeakPolarHBondContact O-CG2 3.33Å; I58-T62 PolarHBondContact O-N 2.92Å; I58-T62 PolarHBondContact O-OG1 2.73Å
59T95.1Very high94.3Very high62 Ų6255.6 Ų55.638%0.3831%0.31SS..Hα-helixtrans-56.4-46.6176.7-54.20000111.9D55 L57 I61 T63D55-T59 PolarHBondContact O-N 2.83Å; D55-T59 PolarHBondContact O-OG1 3.29Å; D55-T59 VanDerWaalsContact O-OG1 3.04Å; L57-T59 PolarHBondContact O-N 2.95Å; T59-I61 PolarHBondContact O-N 3.2Å; T59-T63 HydrophobicContact CG2-CG2 4.19Å; T59-T63 WeakPolarHBondContact O-CB 3.28Å; T59-T63 WeakPolarHBondContact O-CG2 3.41Å; T59-T63 PolarHBondContact O-N 3.33Å; T59-T63 PolarHBondContact O-OG1 2.98Å
60A96.6Very high94.4Very high1 Ų153.9 Ų53.91%0.00830%0.3CS..Hα-helixtrans-62-42.3-178.600000112.3S56 L57 I58 N64 G65 Y131S56-A60 WeakPolarHBondContact O-CB 3.36Å; S56-A60 PolarHBondContact O-N 3.27Å; S56-A60 VanDerWaalsContact O-N 3.1Å; L57-A60 PolarHBondContact O-N 3.46Å; I58-A60 VanDerWaalsContact C-N 3.35Å; I58-A60 PolarHBondContact O-N 3.37Å; A60-N64 PolarHBondContact O-N 3.09Å; A60-G65 PolarHBondContact O-N 3.32Å; A60-Y131 HydrophobicContact CB-CD2 3.98Å; A60-Y131 HydrophobicContact CB-CE2 4.5Å; A60-Y131 WeakPolarHBondContact O-CE2 3.47Å
61I96.9Very high94.5Very high3 Ų351.4 Ų51.42%0.01529%0.291CS..Hα-helixtrans-73.1-50179.4-60.7-42.7000111.7L23 H26 L57 I58 T59 T63 N64 W99 P130 Y131L23-I61 HydrophobicContact CD2-CB 3.71Å; L23-I61 HydrophobicContact CD2-CG1 3.82Å; L23-I61 HydrophobicContact CD2-CG2 3.82Å; H26-I61 HydrophobicContact CB-CG2 3.43Å; H26-I61 VanDerWaalsContact CB-CG2 3.43Å; L57-I61 HydrophobicContact CD1-CD1 4.24Å; L57-I61 HydrophobicContact CD1-CG1 3.92Å; L57-I61 HydrophobicContact CG-CG1 4.37Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 3.47Å; I58-I61 PolarHBondContact O-N 3.43Å; T59-I61 PolarHBondContact O-N 3.2Å; I61-T63 VanDerWaalsContact C-N 3.31Å; I61-T63 PolarHBondContact O-N 3.23Å; I61-N64 PolarHBondContact O-N 3.41Å; I61-W99 HydrophobicContact CD1-CB 3.88Å; I61-W99 HydrophobicContact CD1-CD2 3.54Å; I61-W99 HydrophobicContact CD1-CE3 3.78Å; I61-W99 HydrophobicContact CD1-CG 3.59Å; I61-W99 HydrophobicContact CG1-CD2 3.95Å; I61-W99 HydrophobicContact CG1-CE3 4.35Å; I61-W99 HydrophobicContact CG1-CG 4.19Å; I61-W99 HydrophobicContact CG1-CZ2 4.42Å; I61-W99 HydrophobicContact CG2-CG 4.18Å; I61-P130 HydrophobicContact CD1-CG 3.54Å; I61-Y131 HydrophobicContact CD1-CE2 3.96Å
62T94.9Very high94.6Very high34 Ų3446.5 Ų46.521%0.20927%0.27CS..Hα-helixtrans-69.4-28.2-17460.10000113.1T9 I58T9-T62 HydrophobicContact CG2-CG2 4.37Å; I58-T62 HydrophobicContact CG2-CG2 3.92Å; I58-T62 WeakPolarHBondContact O-CB 3.46Å; I58-T62 WeakPolarHBondContact O-CG2 3.33Å; I58-T62 PolarHBondContact O-N 2.92Å; I58-T62 PolarHBondContact O-OG1 2.73Å
63T93.8Very high94.7Very high47 Ų4741.5 Ų41.529%0.28824%0.243SC..THydrogen-bonded Turntrans-92.65.4175.468.20000113.9T59 I61 G65 A66T59-T63 HydrophobicContact CG2-CG2 4.19Å; T59-T63 WeakPolarHBondContact O-CB 3.28Å; T59-T63 WeakPolarHBondContact O-CG2 3.41Å; T59-T63 PolarHBondContact O-N 3.33Å; T59-T63 PolarHBondContact O-OG1 2.98Å; I61-T63 VanDerWaalsContact C-N 3.31Å; I61-T63 PolarHBondContact O-N 3.23Å; T63-G65 PolarHBondContact O-N 2.83Å; T63-G65 VanDerWaalsContact O-N 3.17Å; T63-A66 VanDerWaalsContact O-CB 3.25Å; T63-A66 WeakPolarHBondContact O-CB 3.31Å; T63-A66 PolarHBondContact O-N 3.05Å
64N92.6Very high94.7Very high110 Ų11040.2 Ų40.259%0.58824%0.237SC*.THydrogen-bonded Turntrans5136.1-174.7-166.432.2000113.3A60 I61 A66 Y131A60-N64 PolarHBondContact O-N 3.09Å; I61-N64 PolarHBondContact O-N 3.41Å; N64-A66 VanDerWaalsContact C-N 3.34Å; N64-A66 PolarHBondContact O-N 3.28Å; N64-Y131 VanDerWaalsContact C-CZ 3.45Å; N64-Y131 WeakPolarHBondContact CA-OH 3.45Å; N64-Y131 VanDerWaalsContact O-CE1 3.3Å; N64-Y131 WeakPolarHBondContact O-CE1 3.33Å; N64-Y131 PolarHBondContact OD1-OH 2.91Å
65G92.1Very high94.7Very high26 Ų2646.3 Ų46.327%0.26827%0.266SS..THydrogen-bonded Turntrans72.515.6-178.300000116.1A60 T63 H67A60-G65 PolarHBondContact O-N 3.32Å; T63-G65 PolarHBondContact O-N 2.83Å; T63-G65 VanDerWaalsContact O-N 3.17Å; G65-H67 PolarHBondContact O-N 2.7Å
66A90.3Very high94.6Very high72 Ų7246.4 Ų46.460%0.59526%0.263SS*.  trans-59.7-18.2-179.500000114.4T63 N64T63-A66 VanDerWaalsContact O-CB 3.25Å; T63-A66 WeakPolarHBondContact O-CB 3.31Å; T63-A66 PolarHBondContact O-N 3.05Å; N64-A66 VanDerWaalsContact C-N 3.34Å; N64-A66 PolarHBondContact O-N 3.28Å
67H85.6Confident94.5Very high117 Ų11748.6 Ų48.654%0.54228%0.275SS..SBendtrans-127.4143.6177.6-59.5-35.8000112G65 S69G65-H67 PolarHBondContact O-N 2.7Å; H67-S69 PolarHBondContact O-N 2.98Å
68P88.5Confident94.1Very high125 Ų12557.9 Ų57.981%0.81232%0.324SS*.  trans-55.1129.8171.6-24.934.5000111.4
69S93.3Very high93.7Very high20 Ų2061.1 Ų61.114%0.1434%0.341CS..  trans-122.5157.1-176.3470000110.9H67 N129 H132H67-S69 PolarHBondContact O-N 2.98Å; S69-N129 PolarHBondContact OG-ND2 3.41Å; S69-H132 PolarHBondContact O-CE1 3.15Å; S69-H132 PolarHBondContact O-NE2 3.38Å
70K95.6Very high93.5Very high128 Ų12858.7 Ų58.756%0.55733%0.329SS*.  trans-71.1165.9176.6-64178.7-178.4172.60111S56 N129 H132S56-K70 WeakPolarHBondContact OG-CA 3.48Å; S56-K70 PolarHBondContact OG-N 3.42Å; S56-K70 PolarHBondContact OG-O 3.22Å; K70-N129 PolarHBondContact O-ND2 3.22Å; K70-H132 PolarHBondContact O-CE1 3.14Å; K70-H132 VanDerWaalsContact O-CE1 3.29Å; K70-H132 PolarHBondContact O-NE2 2.68Å
71C97.6Very high93.4Very high18 Ų1864.7 Ų64.712%0.12235%0.351CS..  trans-64135.8170.4-70.30000109.2T73 Y117 C127 H132C71-T73 HydrophobicContact CB-CG2 4.04Å; C71-Y117 HydrophobicContact CB-CD2 3.84Å; C71-C127 HydrophobicContact CB-CB 4.47Å; C71-H132 PolarHBondContact N-CE1 3.4Å; C71-H132 PolarHBondContact SG-ND1 2.72Å
72V98.1Very high93.2Very high0 Ų065.1 Ų65.10%035%0.353CS..  trans-109112.2173.3179.90000106.3L47 E53 L57 C127 V128 N129L47-V72 HydrophobicContact CD1-CG1 3.43Å; L47-V72 VanDerWaalsContact CD1-CG1 3.43Å; L47-V72 HydrophobicContact CD2-CG1 3.98Å; L47-V72 HydrophobicContact CG-CG1 4.36Å; E53-V72 WeakPolarHBondContact O-CG2 3.21Å; L57-V72 HydrophobicContact CB-CG1 4.01Å; L57-V72 HydrophobicContact CB-CG2 3.82Å; L57-V72 HydrophobicContact CD1-CG1 4.31Å; L57-V72 HydrophobicContact CD1-CG2 4.37Å; L57-V72 HydrophobicContact CD2-CG1 4.38Å; L57-V72 HydrophobicContact CG-CG1 4.46Å; V72-C127 CarbonylContact O-C 3.51Å; V72-C127 VanDerWaalsContact O-CA 3.27Å; V72-C127 WeakPolarHBondContact O-CA 3.28Å; V72-V128 HydrophobicContact CB-CG2 4.42Å; V72-V128 HydrophobicContact CG1-CG2 4.04Å; V72-V128 WeakPolarHBondContact O-CG2 3.44Å; V72-V128 PolarHBondContact O-N 2.91Å; V72-N129 HydrophobicContact CB-CB 4.05Å; V72-N129 HydrophobicContact CG2-CB 3.9Å
73T97.9Very high93.2Very high8 Ų869 Ų695%0.04937%0.369CS..EExtended strand (participates in β ladder)trans-112.4147.4-163.270.90000113.6L47 K50 E53 C71 Y117 V126L47-T73 WeakPolarHBondContact CD2-O 3.5Å; K50-T73 PolarHBondContact NZ-O 3.41Å; K50-T73 PolarHBondContact NZ-OG1 3.16Å; E53-T73 PolarHBondContact OE1-OG1 2.65Å; E53-T73 PolarHBondContact OE2-N 2.74Å; E53-T73 PolarHBondContact OE2-OG1 2.9Å; E53-T73 VanDerWaalsContact OE2-OG1 3.12Å; C71-T73 HydrophobicContact CB-CG2 4.04Å; T73-Y117 HydrophobicContact CG2-CD2 3.77Å; T73-Y117 HydrophobicContact CG2-CE2 4.44Å; T73-Y117 HydrophobicContact CG2-CG 3.83Å; T73-V126 CarbonylContact C-O 3.5Å; T73-V126 VanDerWaalsContact CA-O 3.31Å; T73-V126 WeakPolarHBondContact CA-O 3.19Å
74I97.1Very high93.2Very high7 Ų767 Ų674%0.03636%0.357CS..EExtended strand (participates in β ladder)trans-131.6153.2165.365.8171.8000110.5L43 K46 R76 L82 P91 S125 V126 V128L43-I74 HydrophobicContact CD1-CG2 3.61Å; K46-I74 HydrophobicContact CD-CG2 4.34Å; I74-R76 PolarHBondContact O-N 2.79Å; I74-L82 HydrophobicContact CD1-CD2 4.33Å; I74-P91 HydrophobicContact CD1-CB 3.73Å; I74-S125 WeakPolarHBondContact O-CA 3.44Å; I74-V126 PolarHBondContact N-O 3.4Å; I74-V126 PolarHBondContact O-N 3.18Å; I74-V128 HydrophobicContact CD1-CG1 3.96Å; I74-V128 HydrophobicContact CG1-CG1 3.94Å; I74-V128 HydrophobicContact CG2-CG2 4.3Å
75Q96.6Very high93Very high132 Ų13265.2 Ų65.262%0.61736%0.357SS*.EExtended strand (participates in β ladder)trans-56.8132.1174.6-16865.640.700111.3D124Q75-D124 PolarHBondContact NE2-O 3.17Å; Q75-D124 VanDerWaalsContact NE2-O 3.08Å
76R94.9Very high92.7Very high51 Ų5166.8 Ų66.819%0.19237%0.373CS..PPolyproline II helixtrans-70.3134.7171.8-170.1177.2-65.8-101.63.2110I74 F119 C123 D124 V126I74-R76 PolarHBondContact O-N 2.79Å; R76-F119 PolarHBondContact NH1-O 3.45Å; R76-F119 VanDerWaalsContact NH1-O 3.09Å; R76-F119 PolarHBondContact NH2-O 3.49Å; R76-C123 PolarHBondContact NE-O 3.33Å; R76-C123 PolarHBondContact NH2-O 3.45Å; R76-D124 WeakPolarHBondContact CB-O 3.17Å; R76-D124 PolarHBondContact N-O 2.86Å; R76-V126 HydrophobicContact CB-CG2 3.85Å; R76-V126 HydrophobicContact CG-CG2 4.03Å
77T93.2Very high92.7Very high59 Ų5968.8 Ų68.836%0.36237%0.365SS..PPolyproline II helixtrans-83.5158169.158.90000110.6D79 G80 R81T77-D79 WeakPolarHBondContact CB-OD1 3.1Å; T77-D79 PolarHBondContact O-N 3.35Å; T77-D79 PolarHBondContact OG1-OD1 3.32Å; T77-G80 WeakPolarHBondContact O-CA 3.37Å; T77-G80 PolarHBondContact O-N 3.07Å; T77-G80 PolarHBondContact OG1-N 2.85Å; T77-R81 PolarHBondContact OG1-N 3.48Å; T77-R81 PolarHBondContact OG1-O 3.01Å
78L88.9Confident93.1Very high194 Ų19468.9 Ų68.9100%1.01636%0.364SS*.THydrogen-bonded Turntrans-56.1-34.4178.8-61.9175.3000113.3
79D89.1Confident93.3Very high70 Ų7064 Ų6437%0.37434%0.337SS..THydrogen-bonded Turntrans-89.7-0.5176.769.1-9.7000113.8T77 R81 K88T77-D79 WeakPolarHBondContact CB-OD1 3.1Å; T77-D79 PolarHBondContact O-N 3.35Å; T77-D79 PolarHBondContact OG1-OD1 3.32Å; D79-R81 PolarHBondContact O-N 3.21Å; D79-R81 PolarHBondContact OD1-N 3.34Å; D79-K88 IonicContact OD2-NZ 3.39Å; D79-K88 PolarHBondContact OD2-NZ 3.29Å
80G90.8Very high93.5Very high11 Ų1165.7 Ų65.711%0.11334%0.342CS..SBendtrans67.15.3-174.800000115.3T77 P91 F119T77-G80 WeakPolarHBondContact O-CA 3.37Å; T77-G80 PolarHBondContact O-N 3.07Å; T77-G80 PolarHBondContact OG1-N 2.85Å; G80-P91 VanDerWaalsContact O-CD 3.31Å; G80-P91 WeakPolarHBondContact O-CD 3.39Å; G80-F119 WeakPolarHBondContact O-CE2 3.27Å
81R92.6Very high93.5Very high127 Ų12759.9 Ų59.948%0.47932%0.317SS..  trans-109.6129.9-174.7-60.1174.5-161.9-163.95.8111.6T77 D79 G89 F90T77-R81 PolarHBondContact OG1-N 3.48Å; T77-R81 PolarHBondContact OG1-O 3.01Å; D79-R81 PolarHBondContact O-N 3.21Å; D79-R81 PolarHBondContact OD1-N 3.34Å; R81-G89 CarbonylContact C-O 3.58Å; R81-G89 WeakPolarHBondContact CA-O 3.31Å; R81-F90 HydrophobicContact CG-CD1 4.26Å; R81-F90 HydrophobicContact CG-CE1 4.11Å
82L94.6Very high93.5Very high12 Ų1259.4 Ų59.46%0.06331%0.313CS..EExtended strand (participates in β ladder)trans-83.3135.6168.6-179.667.3000109.3I74 V84 K88 G89 P91 I94 Y95I74-L82 HydrophobicContact CD1-CD2 4.33Å; L82-V84 HydrophobicContact CD2-CG2 3.96Å; L82-V84 HydrophobicContact CG-CG2 3.98Å; L82-K88 WeakPolarHBondContact O-CA 3.39Å; L82-G89 PolarHBondContact N-O 3.24Å; L82-G89 PolarHBondContact O-N 3.28Å; L82-P91 HydrophobicContact CB-CB 4.02Å; L82-P91 HydrophobicContact CD2-CB 4.3Å; L82-I94 HydrophobicContact CB-CD1 4.15Å; L82-I94 HydrophobicContact CD2-CD1 4.3Å; L82-Y95 HydrophobicContact CD2-CE2 3.74Å; L82-Y95 WeakPolarHBondContact CD2-OH 3.42Å
83Q94.2Very high93.4Very high114 Ų11459.8 Ų59.853%0.53332%0.315SS..EExtended strand (participates in β ladder)trans-102.8129.2169.9-164.8175.711.400110.1G86 R87 K88Q83-G86 PolarHBondContact NE2-O 3.46Å; Q83-G86 VanDerWaalsContact NE2-O 3.1Å; Q83-R87 WeakPolarHBondContact CA-O 3.34Å; Q83-K88 HydrophobicContact CB-CG 4.02Å; Q83-K88 HydrophobicContact CG-CG 3.95Å
84V93.4Very high93.3Very high7 Ų760.2 Ų60.24%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-135.5127.1173.8-178.10000108.3F35 R38 A39 L82 G86 R87F35-V84 HydrophobicContact CD2-CB 4.32Å; F35-V84 HydrophobicContact CD2-CG1 4.02Å; F35-V84 HydrophobicContact CE2-CB 3.65Å; F35-V84 HydrophobicContact CE2-CG1 3.83Å; F35-V84 WeakPolarHBondContact CE2-O 3.44Å; F35-V84 HydrophobicContact CZ-CB 4.11Å; F35-V84 HydrophobicContact CZ-CG1 4.36Å; R38-V84 HydrophobicContact CB-CG1 4.08Å; A39-V84 HydrophobicContact CB-CG1 4.03Å; L82-V84 HydrophobicContact CD2-CG2 3.96Å; L82-V84 HydrophobicContact CG-CG2 3.98Å; V84-G86 VanDerWaalsContact C-N 3.29Å; V84-G86 PolarHBondContact O-N 2.86Å; V84-R87 PolarHBondContact N-O 2.94Å; V84-R87 PolarHBondContact O-N 3.28Å
85A87.9Confident93.3Very high72 Ų7259.9 Ų59.960%0.59532%0.315SS*.THydrogen-bonded Turntrans44.751179.100000113.4F35 R87F35-A85 HydrophobicContact CD2-CB 4.25Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 PolarHBondContact O-N 3.38Å; A85-R87 VanDerWaalsContact O-N 3.17Å
86G86.4Confident93.4Very high58 Ų5853.6 Ų53.660%0.59829%0.286SS*.THydrogen-bonded Turntrans83.6-33.1-179.400000115.3Q83 V84Q83-G86 PolarHBondContact NE2-O 3.46Å; Q83-G86 VanDerWaalsContact NE2-O 3.1Å; V84-G86 VanDerWaalsContact C-N 3.29Å; V84-G86 PolarHBondContact O-N 2.86Å
87R89.8Confident93.4Very high114 Ų11454.2 Ų54.243%0.4329%0.288SS..EExtended strand (participates in β ladder)trans-80.2133.6-177.4-59.2-168-64166.53.6111.9E31 F35 Q83 V84 A85E31-R87 IonicContact OE2-CZ 3.34Å; E31-R87 VanDerWaalsContact OE2-CZ 3.25Å; E31-R87 IonicContact OE2-NH1 2.7Å; E31-R87 PolarHBondContact OE2-NH1 2.87Å; E31-R87 IonicContact OE2-NH2 3.28Å; E31-R87 PolarHBondContact OE2-NH2 3.18Å; F35-R87 VanDerWaalsContact CE1-NH2 3.33Å; F35-R87 HydrophobicContact CE2-CB 4.3Å; F35-R87 VanDerWaalsContact CE2-NH2 3.29Å; Q83-R87 WeakPolarHBondContact CA-O 3.34Å; V84-R87 PolarHBondContact N-O 2.94Å; V84-R87 PolarHBondContact O-N 3.28Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 PolarHBondContact O-N 3.38Å; A85-R87 VanDerWaalsContact O-N 3.17Å
88K93.7Very high93.6Very high120 Ų12051.6 Ų51.652%0.52227%0.272SS..EExtended strand (participates in β ladder)trans-99.8133.5172.7-79.1-165.5170.9-161.20110.9D79 L82 Q83D79-K88 IonicContact OD2-NZ 3.39Å; D79-K88 PolarHBondContact OD2-NZ 3.29Å; L82-K88 WeakPolarHBondContact O-CA 3.39Å; Q83-K88 HydrophobicContact CB-CG 4.02Å; Q83-K88 HydrophobicContact CG-CG 3.95Å
89G93.6Very high94Very high22 Ų2242.4 Ų42.423%0.22722%0.224CC..EExtended strand (participates in β ladder)trans-155.8172.8174.400000112.4R81 L82R81-G89 CarbonylContact C-O 3.58Å; R81-G89 WeakPolarHBondContact CA-O 3.31Å; L82-G89 PolarHBondContact N-O 3.24Å; L82-G89 PolarHBondContact O-N 3.28Å
90F96.4Very high94.3Very high56 Ų5642.4 Ų42.425%0.24622%0.219CC..  trans-74.2133.3175.7-63.1-64.1000110.3R81 H92 V93 I94 K106 F119R81-F90 HydrophobicContact CG-CD1 4.26Å; R81-F90 HydrophobicContact CG-CE1 4.11Å; F90-H92 PolarHBondContact O-N 2.96Å; F90-V93 HydrophobicContact CB-CB 4.25Å; F90-V93 HydrophobicContact CB-CG2 3.92Å; F90-V93 PolarHBondContact O-N 3.22Å; F90-I94 WeakPolarHBondContact O-CG1 3.3Å; F90-I94 PolarHBondContact O-N 3.02Å; F90-K106 HydrophobicContact CD2-CB 4.21Å; F90-K106 HydrophobicContact CE2-CB 4.27Å; F90-F119 HydrophobicContact CD1-CE1 4.07Å; F90-F119 HydrophobicContact CD1-CE2 4.01Å; F90-F119 AromaticContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CD1-CZ 3.42Å; F90-F119 VanDerWaalsContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CE1-CE1 4.33Å; F90-F119 AromaticContact CE1-CZ 3.78Å; F90-F119 HydrophobicContact CE1-CZ 3.78Å; F90-F119 HydrophobicContact CG-CZ 4.26Å
91P96.8Very high94.6Very high6 Ų644 Ų444%0.03922%0.221CC..Hα-helixtrans-61.1-45.7-171.122.1-33.6000113.1I74 G80 L82 V93 I94 Y95 F119 V126 V128I74-P91 HydrophobicContact CD1-CB 3.73Å; G80-P91 VanDerWaalsContact O-CD 3.31Å; G80-P91 WeakPolarHBondContact O-CD 3.39Å; L82-P91 HydrophobicContact CB-CB 4.02Å; L82-P91 HydrophobicContact CD2-CB 4.3Å; P91-V93 VanDerWaalsContact C-N 3.34Å; P91-V93 PolarHBondContact O-N 3.1Å; P91-I94 PolarHBondContact O-N 3.26Å; P91-Y95 WeakPolarHBondContact O-CD2 3.45Å; P91-Y95 PolarHBondContact O-N 3.04Å; P91-F119 HydrophobicContact CG-CD2 4.48Å; P91-V126 HydrophobicContact CG-CB 4.46Å; P91-V126 HydrophobicContact CG-CG1 4Å; P91-V128 HydrophobicContact CB-CG1 3.92Å
92H96.5Very high94.5Very high8 Ų840.3 Ų40.34%0.03721%0.213CC..Hα-helixtrans-60.7-40.9178.167.4-71.4000112.3F90 A96 F119 Y133F90-H92 PolarHBondContact O-N 2.96Å; H92-A96 WeakPolarHBondContact O-CB 3.37Å; H92-A96 PolarHBondContact O-N 3.06Å; H92-F119 HydrophobicContact CB-CB 4.41Å; H92-F119 AromaticContact CE1-CD1 3.24Å; H92-F119 WeakPolarHBondContact CE1-CD1 3.36Å; H92-F119 AromaticContact CE1-CD2 3.84Å; H92-F119 AromaticContact CE1-CE1 3.8Å; H92-F119 AromaticContact CE1-CG 3.25Å; H92-F119 WeakPolarHBondContact CE1-CG 3.36Å; H92-F119 WeakPolarHBondContact ND1-CB 3.43Å; H92-F119 AromaticContact ND1-CD1 3.76Å; H92-F119 AromaticContact ND1-CD2 3.5Å; H92-F119 WeakPolarHBondContact ND1-CD2 3.25Å; H92-F119 AromaticContact ND1-CG 3.24Å; H92-F119 WeakPolarHBondContact ND1-CG 3.18Å; H92-F119 AromaticContact NE2-CD1 4Å; H92-Y133 HydrophobicContact CB-CE1 4.16Å; H92-Y133 HydrophobicContact CB-CE2 3.77Å; H92-Y133 WeakPolarHBondContact CB-OH 3.48Å; H92-Y133 AromaticContact CD2-CE1 3.86Å
93V96.7Very high94.3Very high8 Ų843.9 Ų43.95%0.04823%0.233CC..Hα-helixtrans-65.1-44.6175.4-177.80000111.7F90 P91 Y95 A96 R97 L104 L109F90-V93 HydrophobicContact CB-CB 4.25Å; F90-V93 HydrophobicContact CB-CG2 3.92Å; F90-V93 PolarHBondContact O-N 3.22Å; P91-V93 VanDerWaalsContact C-N 3.34Å; P91-V93 PolarHBondContact O-N 3.1Å; V93-Y95 VanDerWaalsContact C-N 3.35Å; V93-Y95 PolarHBondContact O-N 3.13Å; V93-A96 PolarHBondContact O-N 3.14Å; V93-R97 VanDerWaalsContact O-CB 3.25Å; V93-R97 WeakPolarHBondContact O-CB 3.34Å; V93-R97 PolarHBondContact O-N 3.32Å; V93-L104 HydrophobicContact CG1-CD2 4.03Å; V93-L104 HydrophobicContact CG1-CG 4.42Å; V93-L109 HydrophobicContact CG2-CD1 4.27Å
94I96.4Very high94.3Very high17 Ų1738.5 Ų38.59%0.08721%0.207CC..Hα-helixtrans-56.7-48.6-179.9-71163.7000110.9F35 L82 F90 P91 L98F35-I94 HydrophobicContact CE1-CG2 4.28Å; F35-I94 HydrophobicContact CZ-CG2 4.24Å; L82-I94 HydrophobicContact CB-CD1 4.15Å; L82-I94 HydrophobicContact CD2-CD1 4.3Å; F90-I94 WeakPolarHBondContact O-CG1 3.3Å; F90-I94 PolarHBondContact O-N 3.02Å; P91-I94 PolarHBondContact O-N 3.26Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 3.3Å; I94-L98 VanDerWaalsContact O-N 3.17Å
95Y97.7Very high94Very high0 Ų043.5 Ų43.50%023%0.23CC..Hα-helixtrans-79.3-33.2-176.5-64.7-62.9000113A39 L43 L82 P91 V93 R97 L98 W99 V128A39-Y95 HydrophobicContact CB-CE1 4.21Å; A39-Y95 PolarHBondContact O-OH 3.41Å; L43-Y95 HydrophobicContact CB-CE1 3.95Å; L43-Y95 HydrophobicContact CD1-CE2 4.34Å; L43-Y95 HydrophobicContact CD2-CD1 3.94Å; L43-Y95 HydrophobicContact CD2-CE1 3.75Å; L43-Y95 HydrophobicContact CD2-CE2 4.41Å; L43-Y95 HydrophobicContact CD2-CG 4.37Å; L43-Y95 HydrophobicContact CG-CE1 4.35Å; L82-Y95 HydrophobicContact CD2-CE2 3.74Å; L82-Y95 WeakPolarHBondContact CD2-OH 3.42Å; P91-Y95 WeakPolarHBondContact O-CD2 3.45Å; P91-Y95 PolarHBondContact O-N 3.04Å; V93-Y95 VanDerWaalsContact C-N 3.35Å; V93-Y95 PolarHBondContact O-N 3.13Å; Y95-R97 VanDerWaalsContact C-N 3.35Å; Y95-L98 PolarHBondContact O-N 3.42Å; Y95-W99 HydrophobicContact CD1-CE3 4.42Å; Y95-W99 AromaticContact CD1-CH2 3.99Å; Y95-W99 HydrophobicContact CD1-CH2 3.99Å; Y95-W99 AromaticContact CD1-CZ3 3.55Å; Y95-W99 HydrophobicContact CD1-CZ3 3.55Å; Y95-W99 AromaticContact CG-CZ3 4Å; Y95-W99 HydrophobicContact CG-CZ3 4Å; Y95-W99 PolarHBondContact O-N 3.15Å; Y95-V128 HydrophobicContact CD2-CB 3.55Å; Y95-V128 HydrophobicContact CD2-CG1 3.64Å; Y95-V128 HydrophobicContact CD2-CG2 4.2Å; Y95-V128 HydrophobicContact CE2-CB 4.19Å; Y95-V128 HydrophobicContact CE2-CG1 4Å; Y95-V128 HydrophobicContact CE2-CG2 4.49Å; Y95-V128 HydrophobicContact CG-CB 4.27Å
96A97.4Very high93.8Very high0 Ų046.7 Ų46.70%023%0.231CC..Hα-helixtrans-63.5-39.2170.400000112.6H92 V93 R100 W101 L104 L109 P130H92-A96 WeakPolarHBondContact O-CB 3.37Å; H92-A96 PolarHBondContact O-N 3.06Å; V93-A96 PolarHBondContact O-N 3.14Å; A96-R100 PolarHBondContact O-N 2.97Å; A96-W101 HydrophobicContact CB-CE3 4.25Å; A96-W101 HydrophobicContact CB-CZ3 4.44Å; A96-W101 PolarHBondContact O-N 3.22Å; A96-W101 VanDerWaalsContact O-N 3.1Å; A96-L104 HydrophobicContact CB-CD2 3.69Å; A96-L109 HydrophobicContact CB-CD1 3.77Å; A96-L109 HydrophobicContact CB-CD2 4.48Å; A96-P130 HydrophobicContact CB-CB 4.25Å
97R95.8Very high93.9Very high64 Ų6448.7 Ų48.724%0.24223%0.228CC..Hα-helixtrans-64.4-42.5174.9-172.5-175-68171.3-8.1112.1E31 V93 Y95 W99 W101 P102 L104E31-R97 HydrophobicContact CG-CG 4.47Å; E31-R97 WeakPolarHBondContact OE1-CD 3.24Å; E31-R97 IonicContact OE1-CZ 3.05Å; E31-R97 IonicContact OE1-NE 2.65Å; E31-R97 IonicContact OE1-NH1 3.25Å; E31-R97 PolarHBondContact OE1-NH1 2.91Å; V93-R97 VanDerWaalsContact O-CB 3.25Å; V93-R97 WeakPolarHBondContact O-CB 3.34Å; V93-R97 PolarHBondContact O-N 3.32Å; Y95-R97 VanDerWaalsContact C-N 3.35Å; R97-W99 PolarHBondContact O-N 3.11Å; R97-W101 VanDerWaalsContact CA-O 3.27Å; R97-W101 WeakPolarHBondContact CA-O 3.48Å; R97-W101 WeakPolarHBondContact CG-O 3.37Å; R97-W101 CarbonylContact O-C 3.5Å; R97-P102 WeakPolarHBondContact CG-O 3.27Å; R97-L104 HydrophobicContact CB-CB 4.4Å; R97-L104 PolarHBondContact NE-O 3.48Å; R97-L104 PolarHBondContact NH2-O 2.8Å
98L96.6Very high93.9Very high4 Ų444.8 Ų44.82%0.02121%0.214CC..Hα-helixtrans-65.4-37.8-176-166.7149.2000113R27 Q28 A36 A39 I40 I94 Y95R27-L98 VanDerWaalsContact CA-O 3.28Å; R27-L98 WeakPolarHBondContact CA-O 3.25Å; R27-L98 HydrophobicContact CB-CD2 4.1Å; Q28-L98 PolarHBondContact N-O 3.07Å; A36-L98 HydrophobicContact CB-CD1 3.86Å; A36-L98 HydrophobicContact CB-CG 4.46Å; A39-L98 HydrophobicContact CB-CD1 4.17Å; I40-L98 HydrophobicContact CD1-CD1 4.31Å; I40-L98 HydrophobicContact CD1-CD2 3.64Å; I40-L98 HydrophobicContact CG1-CD1 4.2Å; I40-L98 HydrophobicContact CG1-CD2 4.12Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 3.3Å; I94-L98 VanDerWaalsContact O-N 3.17Å; Y95-L98 PolarHBondContact O-N 3.42Å
99W97.4Very high94Very high1 Ų139.9 Ų39.90%0.00419%0.194CC..Hα-helixtrans-111.7-13.1-173.5-72.6-60.1000116.7L23 Q28 I40 L43 L57 I61 Y95 R97 P130L23-W99 HydrophobicContact CB-CZ2 4.12Å; L23-W99 HydrophobicContact CD1-CZ2 4.41Å; L23-W99 HydrophobicContact CD2-CZ2 4.43Å; L23-W99 PolarHBondContact O-NE1 3.44Å; Q28-W99 WeakPolarHBondContact CG-O 3.24Å; Q28-W99 PolarHBondContact NE2-O 2.9Å; I40-W99 HydrophobicContact CD1-CZ2 3.8Å; I40-W99 HydrophobicContact CG1-CH2 4.09Å; I40-W99 HydrophobicContact CG1-CZ2 3.66Å; L43-W99 HydrophobicContact CD2-CH2 3.88Å; L43-W99 HydrophobicContact CD2-CZ3 4.09Å; L57-W99 HydrophobicContact CD1-CH2 4.48Å; L57-W99 HydrophobicContact CD1-CZ3 4.3Å; I61-W99 HydrophobicContact CD1-CB 3.88Å; I61-W99 HydrophobicContact CD1-CD2 3.54Å; I61-W99 HydrophobicContact CD1-CE3 3.78Å; I61-W99 HydrophobicContact CD1-CG 3.59Å; I61-W99 HydrophobicContact CG1-CD2 3.95Å; I61-W99 HydrophobicContact CG1-CE3 4.35Å; I61-W99 HydrophobicContact CG1-CG 4.19Å; I61-W99 HydrophobicContact CG1-CZ2 4.42Å; I61-W99 HydrophobicContact CG2-CG 4.18Å; Y95-W99 HydrophobicContact CD1-CE3 4.42Å; Y95-W99 AromaticContact CD1-CH2 3.99Å; Y95-W99 HydrophobicContact CD1-CH2 3.99Å; Y95-W99 AromaticContact CD1-CZ3 3.55Å; Y95-W99 HydrophobicContact CD1-CZ3 3.55Å; Y95-W99 AromaticContact CG-CZ3 4Å; Y95-W99 HydrophobicContact CG-CZ3 4Å; Y95-W99 PolarHBondContact O-N 3.15Å; R97-W99 PolarHBondContact O-N 3.11Å; W99-P130 HydrophobicContact CB-CG 4.12Å; W99-P130 HydrophobicContact CE3-CG 4.23Å
100R96.1Very high94.1Very high70 Ų7044.9 Ų44.926%0.26421%0.209SC..THydrogen-bonded Turntrans-132-47.3-177.8-64.2-175.873.5-165.82.3115.1A96 P130 Y131 Y133A96-R100 PolarHBondContact O-N 2.97Å; R100-P130 VanDerWaalsContact CD-O 3.24Å; R100-P130 WeakPolarHBondContact CD-O 3.34Å; R100-P130 HydrophobicContact CG-CB 4.08Å; R100-P130 HydrophobicContact CG-CG 4.46Å; R100-P130 PolarHBondContact NH1-O 2.76Å; R100-Y131 HydrophobicContact CG-CE1 3.97Å; R100-Y133 PolarHBondContact NH1-O 3.11Å
101W95.9Very high94Very high45 Ų4544.6 Ų44.617%0.1721%0.208CC..  trans-134.686.1-167.2-62.3-58.9000111.6A96 R97 D103 L104 L109 Y133 R135A96-W101 HydrophobicContact CB-CE3 4.25Å; A96-W101 HydrophobicContact CB-CZ3 4.44Å; A96-W101 PolarHBondContact O-N 3.22Å; A96-W101 VanDerWaalsContact O-N 3.1Å; R97-W101 VanDerWaalsContact CA-O 3.27Å; R97-W101 WeakPolarHBondContact CA-O 3.48Å; R97-W101 WeakPolarHBondContact CG-O 3.37Å; R97-W101 CarbonylContact O-C 3.5Å; W101-D103 PolarHBondContact O-N 2.91Å; W101-D103 VanDerWaalsContact O-N 3.08Å; W101-L104 HydrophobicContact CB-CB 3.79Å; W101-L104 HydrophobicContact CB-CD1 4.35Å; W101-L104 HydrophobicContact CB-CG 4.5Å; W101-L104 HydrophobicContact CE3-CD1 4.26Å; W101-L104 HydrophobicContact CE3-CD2 4.34Å; W101-L104 WeakPolarHBondContact O-CB 3.38Å; W101-L104 PolarHBondContact O-N 3.25Å; W101-L109 HydrophobicContact CE3-CD2 3.82Å; W101-L109 HydrophobicContact CH2-CD2 4.3Å; W101-L109 HydrophobicContact CZ3-CD2 3.42Å; W101-L109 VanDerWaalsContact CZ3-CD2 3.42Å; W101-Y133 WeakPolarHBondContact CH2-O 3.47Å; W101-R135 HydrophobicContact CD2-CB 4.14Å; W101-R135 HydrophobicContact CE3-CB 4.41Å; W101-R135 HydrophobicContact CH2-CB 3.91Å; W101-R135 HydrophobicContact CZ2-CB 3.62Å; W101-R135 HydrophobicContact CZ3-CB 4.32Å
102P91.8Very high94Very high48 Ų4844.7 Ų44.731%0.31221%0.209SC..THydrogen-bonded Turntrans-61.4-22.8-172.324.4-33.6000113.9Q28 R97Q28-P102 HydrophobicContact CB-CG 4.26Å; R97-P102 WeakPolarHBondContact CG-O 3.27Å
103D90.7Very high93.8Very high88 Ų8854.6 Ų54.647%0.47125%0.252SS..THydrogen-bonded Turntrans-943.5179.567.6-49.2000114.4W101 H105 R135W101-D103 PolarHBondContact O-N 2.91Å; W101-D103 VanDerWaalsContact O-N 3.08Å; D103-H105 PolarHBondContact O-CE1 2.87Å; D103-H105 PolarHBondContact O-N 2.94Å; D103-H105 PolarHBondContact O-ND1 2.79Å; D103-R135 IonicContact OD1-CZ 3.53Å; D103-R135 IonicContact OD1-NH1 3.37Å; D103-R135 PolarHBondContact OD1-NH1 3.07Å; D103-R135 IonicContact OD1-NH2 2.73Å; D103-R135 IonicContact OD2-CZ 1.88Å; D103-R135 IonicContact OD2-NH1 3.85Å; D103-R135 PolarHBondContact OD2-NH1 2.76Å; D103-R135 IonicContact OD2-NH2 3.38Å; D103-R135 PolarHBondContact OD2-NH2 2.89Å
104L92.7Very high93.7Very high0 Ų060.5 Ų60.50%027%0.274CS..  trans-62.5130.7-171.8-177.973.9000114.1V93 A96 R97 W101 E108 L109 R135V93-L104 HydrophobicContact CG1-CD2 4.03Å; V93-L104 HydrophobicContact CG1-CG 4.42Å; A96-L104 HydrophobicContact CB-CD2 3.69Å; R97-L104 HydrophobicContact CB-CB 4.4Å; R97-L104 PolarHBondContact NE-O 3.48Å; R97-L104 PolarHBondContact NH2-O 2.8Å; W101-L104 HydrophobicContact CB-CB 3.79Å; W101-L104 HydrophobicContact CB-CD1 4.35Å; W101-L104 HydrophobicContact CB-CG 4.5Å; W101-L104 HydrophobicContact CE3-CD1 4.26Å; W101-L104 HydrophobicContact CE3-CD2 4.34Å; W101-L104 WeakPolarHBondContact O-CB 3.38Å; W101-L104 PolarHBondContact O-N 3.25Å; L104-E108 HydrophobicContact CD1-CB 3.75Å; L104-L109 HydrophobicContact CD1-CD2 3.69Å; L104-L109 HydrophobicContact CD1-CG 4.03Å; L104-L109 HydrophobicContact CD2-CD1 3.81Å; L104-L109 HydrophobicContact CD2-CD2 3.86Å; L104-L109 HydrophobicContact CD2-CG 3.85Å; L104-L109 HydrophobicContact CG-CD2 4.4Å; L104-L109 HydrophobicContact CG-CG 4.42Å; L104-R135 HydrophobicContact CD1-CG 4.05Å
105H88.1Confident93.7Very high113 Ų11359.9 Ų59.952%0.52327%0.271SS..  trans-97.4163.5173.4-71.372.3000114D103 N107 E108D103-H105 PolarHBondContact O-CE1 2.87Å; D103-H105 PolarHBondContact O-N 2.94Å; D103-H105 PolarHBondContact O-ND1 2.79Å; H105-N107 PolarHBondContact O-N 3.45Å; H105-N107 VanDerWaalsContact O-N 3.08Å; H105-E108 HydrophobicContact CB-CG 3.94Å; H105-E108 PolarHBondContact N-OE2 2.99Å; H105-E108 PolarHBondContact O-N 2.96Å
106K83.6Confident93.7Very high139 Ų13966.5 Ų66.560%0.60430%0.302SS*.THydrogen-bonded Turntrans-59.8-20.4-169.661.2179.5179.3-167.30116.8F90F90-K106 HydrophobicContact CD2-CB 4.21Å; F90-K106 HydrophobicContact CE2-CB 4.27Å
107N87.2Confident93.7Very high100 Ų10070.9 Ų70.954%0.53532%0.32SS..THydrogen-bonded Turntrans-116.411.2-175.3-66.9-4.2000112.6H105H105-N107 PolarHBondContact O-N 3.45Å; H105-N107 VanDerWaalsContact O-N 3.08Å
108E91.1Very high93.7Very high32 Ų3267.9 Ų67.915%0.1531%0.308CS..  trans-99.413.8-172.8-62.1-174.7158.700113.4L104 H105 R135 V136L104-E108 HydrophobicContact CD1-CB 3.75Å; H105-E108 HydrophobicContact CB-CG 3.94Å; H105-E108 PolarHBondContact N-OE2 2.99Å; H105-E108 PolarHBondContact O-N 2.96Å; E108-R135 HydrophobicContact CB-CG 4.31Å; E108-R135 CarbonylContact O-C 3.51Å; E108-R135 VanDerWaalsContact O-CA 3.25Å; E108-R135 WeakPolarHBondContact O-CA 3.39Å; E108-R135 WeakPolarHBondContact O-CG 3.43Å; E108-R135 IonicContact OE1-NH2 3.72Å; E108-R135 IonicContact OE2-CZ 3.52Å; E108-R135 IonicContact OE2-NE 3.87Å; E108-R135 PolarHBondContact OE2-NE 3.21Å; E108-R135 IonicContact OE2-NH2 3.44Å; E108-R135 PolarHBondContact OE2-NH2 2.8Å; E108-V136 VanDerWaalsContact CA-O 3.31Å; E108-V136 WeakPolarHBondContact CA-O 3.48Å; E108-V136 WeakPolarHBondContact CB-O 3.25Å; E108-V136 PolarHBondContact O-N 3.08Å
109L94.9Very high93.7Very high17 Ų1769.2 Ų69.29%0.08931%0.314CS..EExtended strand (participates in β ladder)trans-115.6137.4177.5-67.8-175.1000111.3V93 A96 W101 L104 Y133V93-L109 HydrophobicContact CG2-CD1 4.27Å; A96-L109 HydrophobicContact CB-CD1 3.77Å; A96-L109 HydrophobicContact CB-CD2 4.48Å; W101-L109 HydrophobicContact CE3-CD2 3.82Å; W101-L109 HydrophobicContact CH2-CD2 4.3Å; W101-L109 HydrophobicContact CZ3-CD2 3.42Å; W101-L109 VanDerWaalsContact CZ3-CD2 3.42Å; L104-L109 HydrophobicContact CD1-CD2 3.69Å; L104-L109 HydrophobicContact CD1-CG 4.03Å; L104-L109 HydrophobicContact CD2-CD1 3.81Å; L104-L109 HydrophobicContact CD2-CD2 3.86Å; L104-L109 HydrophobicContact CD2-CG 3.85Å; L104-L109 HydrophobicContact CG-CD2 4.4Å; L104-L109 HydrophobicContact CG-CG 4.42Å; L109-Y133 HydrophobicContact CB-CD1 4.2Å; L109-Y133 HydrophobicContact CD1-CD1 4.43Å; L109-Y133 HydrophobicContact CD1-CG 4.27Å
110K95.5Very high93.4Very high126 Ų12672.9 Ų72.955%0.54833%0.333SS..EExtended strand (participates in β ladder)trans-125.9138.7166-171.6174.8-177.1177.60108.7Y133 E134 V136K110-Y133 CarbonylContact O-C 3.57Å; K110-Y133 VanDerWaalsContact O-CA 3.3Å; K110-Y133 WeakPolarHBondContact O-CA 3.47Å; K110-E134 PolarHBondContact N-O 3.14Å; K110-E134 PolarHBondContact O-N 3.35Å; K110-V136 HydrophobicContact CB-CG1 3.66Å; K110-V136 HydrophobicContact CB-CG2 4.12Å; K110-V136 HydrophobicContact CD-CG1 4.29Å
111H95.8Very high93.4Very high50 Ų5073.5 Ų73.523%0.23134%0.342CS..EExtended strand (participates in β ladder)trans-79.8147.5-179.161.4-89.4000112.6C115 A118 D120 H132 Y133H111-C115 HydrophobicContact CB-CB 4.4Å; H111-A118 HydrophobicContact CB-CB 3.28Å; H111-D120 IonicContact CE1-OD2 3.19Å; H111-D120 IonicContact ND1-OD2 2.75Å; H111-D120 PolarHBondContact ND1-OD2 3.25Å; H111-H132 WeakPolarHBondContact CA-O 3.49Å; H111-Y133 HydrophobicContact CB-CD1 3.93Å; H111-Y133 HydrophobicContact CB-CE1 3.89Å
112V94.9Very high93.2Very high9 Ų979.5 Ų79.56%0.05537%0.369CS..  trans-70.6148.1172.6-60.50000110.9Y114 C115 H132 E134V112-Y114 HydrophobicContact CB-CD1 4.14Å; V112-Y114 HydrophobicContact CB-CE1 3.79Å; V112-Y114 HydrophobicContact CG1-CE1 4.43Å; V112-Y114 HydrophobicContact CG2-CD1 3.84Å; V112-Y114 HydrophobicContact CG2-CD2 3.86Å; V112-Y114 HydrophobicContact CG2-CE1 3.53Å; V112-Y114 HydrophobicContact CG2-CE2 3.55Å; V112-Y114 HydrophobicContact CG2-CG 4Å; V112-Y114 PolarHBondContact O-N 3.35Å; V112-C115 HydrophobicContact CG2-CB 3.99Å; V112-C115 WeakPolarHBondContact O-CB 3.48Å; V112-C115 PolarHBondContact O-N 3.29Å; V112-H132 HydrophobicContact CG2-CB 4.33Å; V112-H132 WeakPolarHBondContact CG2-O 3.38Å; V112-H132 PolarHBondContact N-O 3.35Å; V112-E134 HydrophobicContact CG1-CG 3.93Å
113K93.5Very high93.3Very high215 Ų21579.3 Ų79.394%0.93537%0.368SS*.THydrogen-bonded Turntrans-56.4-25-173.8-66.3-178.8-178.81750115.1
114Y94.2Very high93.5Very high132 Ų13281.1 Ų81.152%0.51838%0.378SS..THydrogen-bonded Turntrans-92-0179.961.4-98000113.9V112 Q116 H132V112-Y114 HydrophobicContact CB-CD1 4.14Å; V112-Y114 HydrophobicContact CB-CE1 3.79Å; V112-Y114 HydrophobicContact CG1-CE1 4.43Å; V112-Y114 HydrophobicContact CG2-CD1 3.84Å; V112-Y114 HydrophobicContact CG2-CD2 3.86Å; V112-Y114 HydrophobicContact CG2-CE1 3.53Å; V112-Y114 HydrophobicContact CG2-CE2 3.55Å; V112-Y114 HydrophobicContact CG2-CG 4Å; V112-Y114 PolarHBondContact O-N 3.35Å; Y114-Q116 PolarHBondContact O-N 2.87Å; Y114-H132 AromaticContact CE2-NE2 3.89Å
115C96.8Very high93.7Very high4 Ų482.4 Ų82.43%0.02739%0.387CS..  trans-79103176-169.60000111H111 V112 Y117 A118 L121 C127 H132H111-C115 HydrophobicContact CB-CB 4.4Å; V112-C115 HydrophobicContact CG2-CB 3.99Å; V112-C115 WeakPolarHBondContact O-CB 3.48Å; V112-C115 PolarHBondContact O-N 3.29Å; C115-Y117 VanDerWaalsContact C-N 3.31Å; C115-Y117 PolarHBondContact O-N 2.95Å; C115-A118 HydrophobicContact CB-CB 4.22Å; C115-L121 WeakPolarHBondContact O-CD1 3.27Å; C115-C127 VanDerWaalsContact SG-CB 3.52Å; C115-H132 HydrophobicContact CB-CB 4.12Å; C115-H132 PolarHBondContact SG-ND1 3.34Å
116Q97.1Very high94.1Very high139 Ų13977 Ų7765%0.6536%0.362SS*.THydrogen-bonded Turntrans-73.5-20.4-175.3-62.6173.224.100114Y114Y114-Q116 PolarHBondContact O-N 2.87Å
117Y97.8Very high94.8Very high93 Ų9370.4 Ų70.437%0.36533%0.333SS..THydrogen-bonded Turntrans-121.324.7-174.4-60.3-82.2000112.5C71 T73 C115 C123 V126 C127C71-Y117 HydrophobicContact CB-CD2 3.84Å; T73-Y117 HydrophobicContact CG2-CD2 3.77Å; T73-Y117 HydrophobicContact CG2-CE2 4.44Å; T73-Y117 HydrophobicContact CG2-CG 3.83Å; C115-Y117 VanDerWaalsContact C-N 3.31Å; C115-Y117 PolarHBondContact O-N 2.95Å; Y117-C123 HydrophobicContact CD1-CB 4.46Å; Y117-V126 CarbonylContact O-C 3.47Å; Y117-V126 WeakPolarHBondContact O-CA 3.46Å; Y117-C127 PolarHBondContact O-N 3.43Å
118A96.3Very high95.4Very high0 Ų065.7 Ų65.70%031%0.308CS..  trans-55.3148.7-178.900000112.8H111 C115 D120 L121H111-A118 HydrophobicContact CB-CB 3.28Å; C115-A118 HydrophobicContact CB-CB 4.22Å; A118-D120 PolarHBondContact O-N 3.46Å; A118-D120 VanDerWaalsContact O-N 3.15Å; A118-L121 HydrophobicContact CB-CD1 3.96Å; A118-L121 HydrophobicContact CB-CG 4.03Å; A118-L121 WeakPolarHBondContact O-CB 3.33Å; A118-L121 PolarHBondContact O-N 2.99Å
119F95.1Very high95.7Very high32 Ų3264.2 Ų64.214%0.1430%0.301CS..G310 helixtrans-54.7-38.7-174.9-178.8-99.9000113.6R76 G80 F90 P91 H92 L121 K122 V126 Y133R76-F119 PolarHBondContact NH1-O 3.45Å; R76-F119 VanDerWaalsContact NH1-O 3.09Å; R76-F119 PolarHBondContact NH2-O 3.49Å; G80-F119 WeakPolarHBondContact O-CE2 3.27Å; F90-F119 HydrophobicContact CD1-CE1 4.07Å; F90-F119 HydrophobicContact CD1-CE2 4.01Å; F90-F119 AromaticContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CD1-CZ 3.42Å; F90-F119 VanDerWaalsContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CE1-CE1 4.33Å; F90-F119 AromaticContact CE1-CZ 3.78Å; F90-F119 HydrophobicContact CE1-CZ 3.78Å; F90-F119 HydrophobicContact CG-CZ 4.26Å; P91-F119 HydrophobicContact CG-CD2 4.48Å; H92-F119 HydrophobicContact CB-CB 4.41Å; H92-F119 AromaticContact CE1-CD1 3.24Å; H92-F119 WeakPolarHBondContact CE1-CD1 3.36Å; H92-F119 AromaticContact CE1-CD2 3.84Å; H92-F119 AromaticContact CE1-CE1 3.8Å; H92-F119 AromaticContact CE1-CG 3.25Å; H92-F119 WeakPolarHBondContact CE1-CG 3.36Å; H92-F119 WeakPolarHBondContact ND1-CB 3.43Å; H92-F119 AromaticContact ND1-CD1 3.76Å; H92-F119 AromaticContact ND1-CD2 3.5Å; H92-F119 WeakPolarHBondContact ND1-CD2 3.25Å; H92-F119 AromaticContact ND1-CG 3.24Å; H92-F119 WeakPolarHBondContact ND1-CG 3.18Å; H92-F119 AromaticContact NE2-CD1 4Å; F119-L121 VanDerWaalsContact C-N 3.31Å; F119-L121 PolarHBondContact O-N 3.37Å; F119-K122 PolarHBondContact O-N 3.07Å; F119-V126 HydrophobicContact CB-CG1 4.1Å; F119-V126 HydrophobicContact CD2-CG1 3.89Å; F119-V126 HydrophobicContact CD2-CG2 4.32Å; F119-Y133 PolarHBondContact N-OH 3.06Å; F119-Y133 VanDerWaalsContact N-OH 3.11Å
120D92.9Very high95.8Very high78 Ų7863.4 Ų63.442%0.41730%0.297SS..G310 helixtrans-70.9-23.1-177.4-47.1-46.1000113.6H111 A118 K122H111-D120 IonicContact CE1-OD2 3.19Å; H111-D120 IonicContact ND1-OD2 2.75Å; H111-D120 PolarHBondContact ND1-OD2 3.25Å; A118-D120 PolarHBondContact O-N 3.46Å; A118-D120 VanDerWaalsContact O-N 3.15Å; D120-K122 PolarHBondContact O-N 2.91Å
121L94.4Very high95.9Very high84 Ų8458.7 Ų58.744%0.4428%0.276SS..G310 helixtrans-73.7-6179.9-58.4177.6000113C115 A118 F119 C123C115-L121 WeakPolarHBondContact O-CD1 3.27Å; A118-L121 HydrophobicContact CB-CD1 3.96Å; A118-L121 HydrophobicContact CB-CG 4.03Å; A118-L121 WeakPolarHBondContact O-CB 3.33Å; A118-L121 PolarHBondContact O-N 2.99Å; F119-L121 VanDerWaalsContact C-N 3.31Å; F119-L121 PolarHBondContact O-N 3.37Å; L121-C123 PolarHBondContact O-N 3.1Å
122K92.4Very high96Very high171 Ų17156.4 Ų56.474%0.74327%0.266SS*.  trans57.114.4175-64.1175.7-174.5176.20116F119 D120F119-K122 PolarHBondContact O-N 3.07Å; D120-K122 PolarHBondContact O-N 2.91Å
123C93.9Very high96.1Very high43 Ų4356.1 Ų56.129%0.29126%0.264SS..  trans-58.5155.9173.2-48.90000112.5R76 Y117 L121 S125R76-C123 PolarHBondContact NE-O 3.33Å; R76-C123 PolarHBondContact NH2-O 3.45Å; Y117-C123 HydrophobicContact CD1-CB 4.46Å; L121-C123 PolarHBondContact O-N 3.1Å; C123-S125 PolarHBondContact O-N 3.38Å; C123-S125 VanDerWaalsContact O-N 3.08Å
124D95.1Very high96.2Very high126 Ų12651.3 Ų51.367%0.67424%0.244SC*.SBendtrans-58.1-24178.4-64-30.7000114Q75 R76Q75-D124 PolarHBondContact NE2-O 3.17Å; Q75-D124 VanDerWaalsContact NE2-O 3.08Å; R76-D124 WeakPolarHBondContact CB-O 3.17Å; R76-D124 PolarHBondContact N-O 2.86Å
125S96.6Very high96.2Very high28 Ų2849.2 Ų49.220%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-112147.8172.5-75.10000111.5I74 C123I74-S125 WeakPolarHBondContact O-CA 3.44Å; C123-S125 PolarHBondContact O-N 3.38Å; C123-S125 VanDerWaalsContact O-N 3.08Å
126V97.6Very high95.9Very high0 Ų051.3 Ų51.30%025%0.248CC..EExtended strand (participates in β ladder)trans-119.5126.9-178.8-1760000110.3T73 I74 R76 P91 Y117 F119T73-V126 CarbonylContact C-O 3.5Å; T73-V126 VanDerWaalsContact CA-O 3.31Å; T73-V126 WeakPolarHBondContact CA-O 3.19Å; I74-V126 PolarHBondContact N-O 3.4Å; I74-V126 PolarHBondContact O-N 3.18Å; R76-V126 HydrophobicContact CB-CG2 3.85Å; R76-V126 HydrophobicContact CG-CG2 4.03Å; P91-V126 HydrophobicContact CG-CB 4.46Å; P91-V126 HydrophobicContact CG-CG1 4Å; Y117-V126 CarbonylContact O-C 3.47Å; Y117-V126 WeakPolarHBondContact O-CA 3.46Å; F119-V126 HydrophobicContact CB-CG1 4.1Å; F119-V126 HydrophobicContact CD2-CG1 3.89Å; F119-V126 HydrophobicContact CD2-CG2 4.32Å
127C98.3Very high94.8Very high0 Ų049.9 Ų49.90%025%0.249CC..EExtended strand (participates in β ladder)trans-70.6128.6170.3-168.20000110.8C71 V72 C115 Y117 H132 Y133C71-C127 HydrophobicContact CB-CB 4.47Å; V72-C127 CarbonylContact O-C 3.51Å; V72-C127 VanDerWaalsContact O-CA 3.27Å; V72-C127 WeakPolarHBondContact O-CA 3.28Å; C115-C127 VanDerWaalsContact SG-CB 3.52Å; Y117-C127 PolarHBondContact O-N 3.43Å; C127-H132 PolarHBondContact SG-ND1 3.43Å; C127-Y133 WeakPolarHBondContact O-CE2 3.09Å; C127-Y133 PolarHBondContact O-OH 2.62Å
128V98.1Very high92.7Very high1 Ų147.6 Ų47.61%0.00625%0.246CC..  trans-117.45.6177.5-65.70000113.2L43 V72 I74 P91 Y95 P130L43-V128 HydrophobicContact CD1-CG2 3.88Å; L43-V128 HydrophobicContact CD2-CG2 4.34Å; V72-V128 HydrophobicContact CB-CG2 4.42Å; V72-V128 HydrophobicContact CG1-CG2 4.04Å; V72-V128 WeakPolarHBondContact O-CG2 3.44Å; V72-V128 PolarHBondContact O-N 2.91Å; I74-V128 HydrophobicContact CD1-CG1 3.96Å; I74-V128 HydrophobicContact CG1-CG1 3.94Å; I74-V128 HydrophobicContact CG2-CG2 4.3Å; P91-V128 HydrophobicContact CB-CG1 3.92Å; Y95-V128 HydrophobicContact CD2-CB 3.55Å; Y95-V128 HydrophobicContact CD2-CG1 3.64Å; Y95-V128 HydrophobicContact CD2-CG2 4.2Å; Y95-V128 HydrophobicContact CE2-CB 4.19Å; Y95-V128 HydrophobicContact CE2-CG1 4Å; Y95-V128 HydrophobicContact CE2-CG2 4.49Å; Y95-V128 HydrophobicContact CG-CB 4.27Å; V128-P130 WeakPolarHBondContact O-CD 3.21Å
129N97.8Very high90.3Very high0 Ų053.5 Ų53.50%029%0.285CS..  trans-63.1116.6170.9-176.2-21.5000108.7S69 K70 V72 Y131 H132 Y133S69-N129 PolarHBondContact OG-ND2 3.41Å; K70-N129 PolarHBondContact O-ND2 3.22Å; V72-N129 HydrophobicContact CB-CB 4.05Å; V72-N129 HydrophobicContact CG2-CB 3.9Å; N129-Y131 PolarHBondContact O-N 3.07Å; N129-Y131 PolarHBondContact OD1-N 2.88Å; N129-Y131 VanDerWaalsContact OD1-N 3.07Å; N129-H132 HydrophobicContact CB-CB 4.25Å; N129-H132 PolarHBondContact ND2-CD2 2.92Å; N129-H132 VanDerWaalsContact ND2-CD2 3.34Å; N129-H132 PolarHBondContact ND2-NE2 2.9Å; N129-H132 WeakPolarHBondContact O-CB 3.42Å; N129-H132 PolarHBondContact O-N 2.75Å; N129-H132 VanDerWaalsContact O-N 3.08Å; N129-Y133 WeakPolarHBondContact O-CD2 3.46Å
130P97.3Very high87.8Confident1 Ų155.9 Ų55.91%0.00632%0.318CS..G310 helixtrans-71.4-15.2-172.632.6-38.7000112.9I61 A96 W99 R100 V128 H132I61-P130 HydrophobicContact CD1-CG 3.54Å; A96-P130 HydrophobicContact CB-CB 4.25Å; W99-P130 HydrophobicContact CB-CG 4.12Å; W99-P130 HydrophobicContact CE3-CG 4.23Å; R100-P130 VanDerWaalsContact CD-O 3.24Å; R100-P130 WeakPolarHBondContact CD-O 3.34Å; R100-P130 HydrophobicContact CG-CB 4.08Å; R100-P130 HydrophobicContact CG-CG 4.46Å; R100-P130 PolarHBondContact NH1-O 2.76Å; V128-P130 WeakPolarHBondContact O-CD 3.21Å; P130-H132 VanDerWaalsContact C-N 3.35Å
131Y97.4Very high85.7Confident27 Ų2757.5 Ų57.511%0.10633%0.326CS..G310 helixtrans-88.2-2.2174.5-58.2-82.5000113.4A60 I61 N64 R100 N129 Y133A60-Y131 HydrophobicContact CB-CD2 3.98Å; A60-Y131 HydrophobicContact CB-CE2 4.5Å; A60-Y131 WeakPolarHBondContact O-CE2 3.47Å; I61-Y131 HydrophobicContact CD1-CE2 3.96Å; N64-Y131 VanDerWaalsContact C-CZ 3.45Å; N64-Y131 WeakPolarHBondContact CA-OH 3.45Å; N64-Y131 VanDerWaalsContact O-CE1 3.3Å; N64-Y131 WeakPolarHBondContact O-CE1 3.33Å; N64-Y131 PolarHBondContact OD1-OH 2.91Å; R100-Y131 HydrophobicContact CG-CE1 3.97Å; N129-Y131 PolarHBondContact O-N 3.07Å; N129-Y131 PolarHBondContact OD1-N 2.88Å; N129-Y131 VanDerWaalsContact OD1-N 3.07Å; Y131-Y133 VanDerWaalsContact C-N 3.25Å
132H97.8Very high82.9Confident2 Ų259.6 Ų59.61%0.00934%0.337CS..G310 helixtrans-88.54.6170.7-75.8-149.5000112.9S69 K70 C71 H111 V112 Y114 C115 C127 N129 P130S69-H132 PolarHBondContact O-CE1 3.15Å; S69-H132 PolarHBondContact O-NE2 3.38Å; K70-H132 PolarHBondContact O-CE1 3.14Å; K70-H132 VanDerWaalsContact O-CE1 3.29Å; K70-H132 PolarHBondContact O-NE2 2.68Å; C71-H132 PolarHBondContact N-CE1 3.4Å; C71-H132 PolarHBondContact SG-ND1 2.72Å; H111-H132 WeakPolarHBondContact CA-O 3.49Å; V112-H132 HydrophobicContact CG2-CB 4.33Å; V112-H132 WeakPolarHBondContact CG2-O 3.38Å; V112-H132 PolarHBondContact N-O 3.35Å; Y114-H132 AromaticContact CE2-NE2 3.89Å; C115-H132 HydrophobicContact CB-CB 4.12Å; C115-H132 PolarHBondContact SG-ND1 3.34Å; C127-H132 PolarHBondContact SG-ND1 3.43Å; N129-H132 HydrophobicContact CB-CB 4.25Å; N129-H132 PolarHBondContact ND2-CD2 2.92Å; N129-H132 VanDerWaalsContact ND2-CD2 3.34Å; N129-H132 PolarHBondContact ND2-NE2 2.9Å; N129-H132 WeakPolarHBondContact O-CB 3.42Å; N129-H132 PolarHBondContact O-N 2.75Å; N129-H132 VanDerWaalsContact O-N 3.08Å; P130-H132 VanDerWaalsContact C-N 3.35Å
133Y97.4Very high80.6Confident3 Ų357.6 Ų57.61%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-127.1146.8175.8-59.4-91.8000110H92 R100 W101 L109 K110 H111 F119 C127 N129 Y131H92-Y133 HydrophobicContact CB-CE1 4.16Å; H92-Y133 HydrophobicContact CB-CE2 3.77Å; H92-Y133 WeakPolarHBondContact CB-OH 3.48Å; H92-Y133 AromaticContact CD2-CE1 3.86Å; R100-Y133 PolarHBondContact NH1-O 3.11Å; W101-Y133 WeakPolarHBondContact CH2-O 3.47Å; L109-Y133 HydrophobicContact CB-CD1 4.2Å; L109-Y133 HydrophobicContact CD1-CD1 4.43Å; L109-Y133 HydrophobicContact CD1-CG 4.27Å; K110-Y133 CarbonylContact O-C 3.57Å; K110-Y133 VanDerWaalsContact O-CA 3.3Å; K110-Y133 WeakPolarHBondContact O-CA 3.47Å; H111-Y133 HydrophobicContact CB-CD1 3.93Å; H111-Y133 HydrophobicContact CB-CE1 3.89Å; F119-Y133 PolarHBondContact N-OH 3.06Å; F119-Y133 VanDerWaalsContact N-OH 3.11Å; C127-Y133 WeakPolarHBondContact O-CE2 3.09Å; C127-Y133 PolarHBondContact O-OH 2.62Å; N129-Y133 WeakPolarHBondContact O-CD2 3.46Å; Y131-Y133 VanDerWaalsContact C-N 3.25Å
134E94.9Very high78Confident114 Ų11460.1 Ų60.153%0.53335%0.352SS..EExtended strand (participates in β ladder)trans-109.5142.7171.2-69.4169.617900107.9K110 V112K110-E134 PolarHBondContact N-O 3.14Å; K110-E134 PolarHBondContact O-N 3.35Å; V112-E134 HydrophobicContact CG1-CG 3.93Å
135R94.6Very high75.3Confident87 Ų8757.3 Ų57.333%0.32835%0.353SS..EExtended strand (participates in β ladder)trans-79.1129.7174.8-167.4175.2-173.9-176.4-0.4109.1W101 D103 L104 E108W101-R135 HydrophobicContact CD2-CB 4.14Å; W101-R135 HydrophobicContact CE3-CB 4.41Å; W101-R135 HydrophobicContact CH2-CB 3.91Å; W101-R135 HydrophobicContact CZ2-CB 3.62Å; W101-R135 HydrophobicContact CZ3-CB 4.32Å; D103-R135 IonicContact OD1-CZ 3.53Å; D103-R135 IonicContact OD1-NH1 3.37Å; D103-R135 PolarHBondContact OD1-NH1 3.07Å; D103-R135 IonicContact OD1-NH2 2.73Å; D103-R135 IonicContact OD2-CZ 1.88Å; D103-R135 IonicContact OD2-NH1 3.85Å; D103-R135 PolarHBondContact OD2-NH1 2.76Å; D103-R135 IonicContact OD2-NH2 3.38Å; D103-R135 PolarHBondContact OD2-NH2 2.89Å; L104-R135 HydrophobicContact CD1-CG 4.05Å; E108-R135 HydrophobicContact CB-CG 4.31Å; E108-R135 CarbonylContact O-C 3.51Å; E108-R135 VanDerWaalsContact O-CA 3.25Å; E108-R135 WeakPolarHBondContact O-CA 3.39Å; E108-R135 WeakPolarHBondContact O-CG 3.43Å; E108-R135 IonicContact OE1-NH2 3.72Å; E108-R135 IonicContact OE2-CZ 3.52Å; E108-R135 IonicContact OE2-NE 3.87Å; E108-R135 PolarHBondContact OE2-NE 3.21Å; E108-R135 IonicContact OE2-NH2 3.44Å; E108-R135 PolarHBondContact OE2-NH2 2.8Å
136V90.6Very high72.6Confident48 Ų4863 Ų6329%0.29138%0.381SS..  trans-122.4148177.7-64.70000109.8E108 K110E108-V136 VanDerWaalsContact CA-O 3.31Å; E108-V136 WeakPolarHBondContact CA-O 3.48Å; E108-V136 WeakPolarHBondContact CB-O 3.25Å; E108-V136 PolarHBondContact O-N 3.08Å; K110-V136 HydrophobicContact CB-CG1 3.66Å; K110-V136 HydrophobicContact CB-CG2 4.12Å; K110-V136 HydrophobicContact CD-CG1 4.29Å
137V75.4Confident69.7Low110 Ų11068.6 Ų68.667%0.66742%0.415SS*.  trans-70137170.7-175.20000108.3I141V137-I141 HydrophobicContact CG1-CD1 4.04Å
138S53.7Low66.8Low45 Ų4576.7 Ų76.732%0.31546%0.457SS..  trans-57.9136.8179.3-74.40000110.7G140S138-G140 PolarHBondContact O-N 3.08Å
139P45.2Very low63.6Low124 Ų12484.7 Ų84.781%0.80549%0.494SS*.THydrogen-bonded Turntrans-65.513.9-174.6-23.534.3000117.4I141P139-I141 VanDerWaalsContact C-N 3.27Å
140G43.1Very low60.5Low81 Ų8190.1 Ų90.184%0.83553%0.532SS*.THydrogen-bonded Turntrans-80.9-1.6177.300000114.4S138S138-G140 PolarHBondContact O-N 3.08Å
141I48.8Very low57.1Low113 Ų11397.1 Ų97.158%0.57957%0.57SS**SBendtrans-104.2114.2169.6-54.5179.2000107V137 P139 L143V137-I141 HydrophobicContact CG1-CD1 4.04Å; P139-I141 VanDerWaalsContact C-N 3.27Å; I141-L143 HydrophobicContact CB-CD1 4.33Å; I141-L143 HydrophobicContact CG2-CD1 3.99Å; I141-L143 WeakPolarHBondContact O-CD1 3.31Å; I141-L143 PolarHBondContact O-N 3.25Å; I141-L143 VanDerWaalsContact O-N 3.08Å
142D34.8Very low53.9Low127 Ų127100.4 Ų100.468%0.67960%0.602SS**  trans-71.5101.1-179.1-175.813000111S144D142-S144 VanDerWaalsContact C-N 3.25Å; D142-S144 PolarHBondContact O-N 2.86Å; D142-S144 WeakPolarHBondContact OD1-CB 3.23Å; D142-S144 PolarHBondContact OD1-N 3.31Å; D142-S144 PolarHBondContact OD1-OG 3.47Å
143L43.6Very low50.8Low130 Ų130106.3 Ų106.368%0.68164%0.641SS**G310 helixtrans-81.41.5175-97.172.6000113.3I141 G145 L146I141-L143 HydrophobicContact CB-CD1 4.33Å; I141-L143 HydrophobicContact CG2-CD1 3.99Å; I141-L143 WeakPolarHBondContact O-CD1 3.31Å; I141-L143 PolarHBondContact O-N 3.25Å; I141-L143 VanDerWaalsContact O-N 3.08Å; L143-G145 PolarHBondContact O-N 3.19Å; L143-G145 VanDerWaalsContact O-N 3.1Å; L143-L146 PolarHBondContact O-N 2.91Å
144S39.8Very low47.5Very low95 Ų95111.6 Ų111.666%0.66468%0.678SS**G310 helixtrans-67.5-11-175.7-460000113.8D142D142-S144 VanDerWaalsContact C-N 3.25Å; D142-S144 PolarHBondContact O-N 2.86Å; D142-S144 WeakPolarHBondContact OD1-CB 3.23Å; D142-S144 PolarHBondContact OD1-N 3.31Å; D142-S144 PolarHBondContact OD1-OG 3.47Å
145G38.8Very low44.4Very low68 Ų68111 Ų11170%0.70169%0.687SS**G310 helixtrans-80.3-8.5178.300000116L143 T147L143-G145 PolarHBondContact O-N 3.19Å; L143-G145 VanDerWaalsContact O-N 3.1Å; G145-T147 PolarHBondContact O-N 3.26Å
146L39.1Very low41.3Very low148 Ų148115.6 Ų115.678%0.77571%0.714SS**  trans-101.351.2-175.8-70.2175.1000113.6L143 L148L143-L146 PolarHBondContact O-N 2.91Å; L146-L148 PolarHBondContact O-N 3.4Å; L146-L148 VanDerWaalsContact O-N 3.13Å
147T36.3Very low38.7Very low117 Ų117121.9 Ų121.972%0.71874%0.743SS**  trans-79.288.8163.958.10000110.1G145 Q149G145-T147 PolarHBondContact O-N 3.26Å; T147-Q149 PolarHBondContact O-N 3.2Å
148L37.4Very low36.7Very low169 Ų169123.7 Ų123.789%0.88575%0.754SS**  trans-61.199.5164.4-93.4154.9000109.2L146 S150L146-L148 PolarHBondContact O-N 3.4Å; L146-L148 VanDerWaalsContact O-N 3.13Å; L148-S150 PolarHBondContact O-N 3.44Å
149Q31Very low35.4Very low170 Ų170130.1 Ų130.179%0.79478%0.776SS**  trans-64.5117.6168.2-75.6-176.6-10.100108.7T147 N151T147-Q149 PolarHBondContact O-N 3.2Å; Q149-N151 PolarHBondContact O-N 3.47Å; Q149-N151 VanDerWaalsContact O-N 3.12Å
150S32.7Very low34.5Very low114 Ų114130.3 Ų130.380%0.79777%0.77SS**  trans-66.5107.9173.6570000110.1L148L148-S150 PolarHBondContact O-N 3.44Å
151N27.8Very low33.7Very low148 Ų148135.4 Ų135.479%0.79177%0.772SS**  trans-134.2102.3160.3-96.5-13.5000108.7Q149Q149-N151 PolarHBondContact O-N 3.47Å; Q149-N151 VanDerWaalsContact O-N 3.12Å
152A30Very low32.6Very low95 Ų95140.3 Ų140.379%0.78579%0.785SS**  trans-68.5150.5161.600000109.3
153P30.8Very low32.3Very low127 Ų127140.4 Ų140.483%0.82579%0.79SS**  -126.3157122.335.4-30.3000112.9
154S29.5Very low31.6Very low113 Ų113141.8 Ų141.879%0.7979%0.792SS**  trans-80.5163.5-170.8-45.70000114
155S29.7Very low31.1Very low103 Ų103143.5 Ų143.572%0.7279%0.794SS**  trans73.3113.1161-161.20000117
156M29.9Very low30.4Very low183 Ų183149.6 Ų149.690%0.90180%0.802SS**  -154.9138.5103.1-88.2-99.8170.800109
157M35.6Very low29.7Very low180 Ų180150.7 Ų150.789%0.88780%0.803SS**  trans-95.7129.5-179.9-51.3171.783.500108.5
158V32.3Very low29.2Very low148 Ų148148.2 Ų148.290%0.89780%0.801SS**  trans-129.6133.6158.6-175.70000107.7
159K26.2Very low28.6Very low180 Ų180149.3 Ų149.378%0.78380%0.802SS**  trans-98155.5-165.9-174.4-178.6171.8-169.10111.2
160D28.3Very low28.7Very low128 Ų128146.1 Ų146.168%0.68480%0.796SS**  trans-25.4142.4172.6-47.2-77.6000117.5
161E24.9Very low28.4Very low187 Ų187146.7 Ų146.787%0.87480%0.799SS**  164106.6109.1-88.5-177.1151.500111.5
162Y26.7Very low28.4Very low216 Ų216147.2 Ų147.285%0.84780%0.801SS**  trans-163.6119.2131.5-137.7-104.3000111.6
163V27.2Very low28.2Very low129 Ų129147.5 Ų147.578%0.78280%0.797SS**  trans-102.2132.8168.2171.20000107.6
164H30.7Very low28.1Very low159 Ų159147.5 Ų147.574%0.73680%0.795SS**  trans-146120.9156.2-152.7-42.7000110.5
165D27.4Very low28.1Very low132 Ų132149.7 Ų149.771%0.70679%0.793SS**  trans-60.1144.1167.1-86-72.1000111.8
166F24.8Very low28.3Very low195 Ų195148.5 Ų148.586%0.85580%0.797SS**  trans-151.9144.1138.4-142.1-94.8000112.4
167E25.2Very low28.8Very low171 Ų171145.4 Ų145.480%0.79978%0.78SS**  trans-83.8152.7-168.4-62168.481.800114.4
168G24.7Very low29.2Very low66 Ų66141.1 Ų141.168%0.6877%0.768SS**  83.1122.6117.700000121.5
169Q25.8Very low30.8Very low192 Ų192138.7 Ų138.790%0.89775%0.749SS**  trans75.8155.4155.7-54.7-167.7-8600119.5
170P33.2Very low33.2Very low103 Ų103135.1 Ų135.167%0.66974%0.735SS**  cis-128.3154.2-44.735.8-22.4000112.1L172P170-L172 PolarHBondContact O-N 3.01Å
171S26.2Very low35.9Very low125 Ų125132.8 Ų132.887%0.87473%0.726SS**  trans-69.4114.8174.448.60000111.5
172L27.1Very low38.9Very low160 Ų160125.7 Ų125.784%0.83869%0.693SS**  trans-68.7147.6175.6-132.176.7000111.6P170P170-L172 PolarHBondContact O-N 3.01Å
173S25.7Very low41.9Very low100 Ų100121 Ų12170%0.69968%0.679SS**  trans-67.2133.9-172.7450000114.3E175S173-E175 PolarHBondContact O-N 2.96Å; S173-E175 VanDerWaalsContact O-N 3.12Å
174T28.5Very low44.8Very low128 Ų128116.7 Ų116.779%0.78565%0.65SS**  trans-76.991.9173.6-43.80000111.4
175E30.1Very low47.3Very low158 Ų158113 Ų11374%0.73864%0.64SS**  trans-72.3160.9164.1-67.7-168.4125.100111.3S173 H177S173-E175 PolarHBondContact O-N 2.96Å; S173-E175 VanDerWaalsContact O-N 3.12Å; E175-H177 PolarHBondContact O-CE1 3.22Å; E175-H177 PolarHBondContact O-N 3.48Å; E175-H177 VanDerWaalsContact O-N 3.12Å; E175-H177 PolarHBondContact O-ND1 2.83Å
176G34.8Very low49.8Very low79 Ų79109.4 Ų109.481%0.81463%0.625SS**  trans-65110.8-176.700000112.3S178G176-S178 PolarHBondContact O-N 2.94Å
177H39.8Very low51.9Low117 Ų117104.6 Ų104.654%0.54262%0.615SS.*  trans-75.387.7-178.5-71.468.8000111E175 I179 D424E175-H177 PolarHBondContact O-CE1 3.22Å; E175-H177 PolarHBondContact O-N 3.48Å; E175-H177 VanDerWaalsContact O-N 3.12Å; E175-H177 PolarHBondContact O-ND1 2.83Å; H177-I179 PolarHBondContact O-N 3.18Å; H177-D424 WeakPolarHBondContact CB-OD1 3.41Å; H177-D424 IonicContact CD2-OD1 2.78Å; H177-D424 IonicContact CD2-OD2 4Å; H177-D424 IonicContact CG-OD1 2.8Å
178S44.7Very low52.6Low90 Ų90104.5 Ų104.563%0.62962%0.62SS**PPolyproline II helixtrans-69.2120.3155.1176.40000107.7G176 Q180G176-S178 PolarHBondContact O-N 2.94Å; S178-Q180 WeakPolarHBondContact O-CG 3.5Å; S178-Q180 PolarHBondContact O-N 2.97Å; S178-Q180 VanDerWaalsContact O-N 3.09Å
179I64.8Low53.1Low98 Ų98112.4 Ų112.450%0.50363%0.63SS.*PPolyproline II helixtrans-51120174.2-70.2-176.1000109.1H177 D424 V426H177-I179 PolarHBondContact O-N 3.18Å; I179-D424 WeakPolarHBondContact CA-O 3.44Å; I179-V426 HydrophobicContact CG2-CG2 3.8Å
180Q77Confident53.2Low104 Ų104107 Ų10749%0.48662%0.618SS.*EExtended strand (participates in β ladder)trans-93.5138.7-175.6-66.6-172.31.600110.9S178 R420 D424 A425 V426S178-Q180 WeakPolarHBondContact O-CG 3.5Å; S178-Q180 PolarHBondContact O-N 2.97Å; S178-Q180 VanDerWaalsContact O-N 3.09Å; Q180-R420 VanDerWaalsContact CD-NH1 3.32Å; Q180-D424 PolarHBondContact N-O 2.79Å; Q180-A425 WeakPolarHBondContact O-CA 3.32Å; Q180-V426 PolarHBondContact O-N 2.89Å
181T84.6Confident53.1Low79 Ų79107.1 Ų107.149%0.48562%0.621SS.*EExtended strand (participates in β ladder)trans-88111.2174-57.70000109.9F408 V426 K428T181-F408 HydrophobicContact CG2-CE1 4.28Å; T181-V426 CarbonylContact C-O 3.53Å; T181-V426 VanDerWaalsContact CA-O 3.3Å; T181-V426 WeakPolarHBondContact CA-O 3.43Å; T181-K428 HydrophobicContact CG2-CB 3.85Å
182I88Confident53.3Low38 Ų38106.9 Ų106.920%0.19561%0.614CS.*EExtended strand (participates in β ladder)trans-88.8140.7175.6-66.4166.1000109A418 R420 A425 V426 H427 K428I182-A418 HydrophobicContact CD1-CB 3.5Å; I182-R420 HydrophobicContact CD1-CG 3.7Å; I182-A425 HydrophobicContact CD1-CB 3.69Å; I182-A425 HydrophobicContact CG1-CB 4.38Å; I182-V426 PolarHBondContact N-O 3.4Å; I182-H427 WeakPolarHBondContact CD1-CE1 3.44Å; I182-K428 PolarHBondContact O-N 2.95Å
183Q89.9Confident53.3Low118 Ų118106.9 Ų106.955%0.55161%0.61SS**EExtended strand (participates in β ladder)trans-111.5121.5-170.7-66.3-167.744.800111.5P185 Y430Q183-P185 VanDerWaalsContact O-CD 3.25Å; Q183-P185 WeakPolarHBondContact O-CD 3.25Å; Q183-Y430 HydrophobicContact CB-CE2 4.01Å; Q183-Y430 HydrophobicContact CG-CE2 4.27Å; Q183-Y430 PolarHBondContact OE1-OH 3.44Å
184H88.7Confident53.2Low38 Ų38107.6 Ų107.618%0.17661%0.611CS.*EExtended strand (participates in β ladder)trans-112.285.5178.7-61.9-79.1000109.9H427 K428 Y430 I435H184-H427 AromaticContact NE2-CG 3.69Å; H184-H427 AromaticContact NE2-ND1 3.09Å; H184-H427 PolarHBondContact NE2-ND1 3.29Å; H184-K428 PolarHBondContact N-O 3.01Å; H184-Y430 WeakPolarHBondContact O-CD2 3.27Å; H184-Y430 PolarHBondContact O-N 2.92Å; H184-Y430 VanDerWaalsContact O-N 3.1Å; H184-I435 HydrophobicContact CB-CD1 4.05Å
185P82Confident53.2Low81 Ų81111.2 Ų111.253%0.52661%0.611SS.*  trans-65.6161.6174.929.9-35.5000111Q183 S187Q183-P185 VanDerWaalsContact O-CD 3.25Å; Q183-P185 WeakPolarHBondContact O-CD 3.25Å; P185-S187 PolarHBondContact O-N 3.01Å
186P79.8Confident53Low58 Ų58108.7 Ų108.738%0.37761%0.611SS.*  trans-58.8123.6170.925.4-34.3000110.3N188 A433P186-N188 PolarHBondContact O-N 3.41Å; P186-N188 VanDerWaalsContact O-N 3.12Å; P186-A433 HydrophobicContact CB-CB 4.28Å
187S68.7Low52.7Low94 Ų94110.6 Ų110.666%0.65761%0.607SS**  trans-62.1114.2172.2-59.90000109.1P185 R189P185-S187 PolarHBondContact O-N 3.01Å; S187-R189 PolarHBondContact O-N 3.23Å
188N39.6Very low52.3Low169 Ų169111 Ų11190%0.90462%0.62SS**  trans-72.157.1174.6-113.410.8000111.4P186 A190P186-N188 PolarHBondContact O-N 3.41Å; P186-N188 VanDerWaalsContact O-N 3.12Å; N188-A190 VanDerWaalsContact C-N 3.26Å; N188-A190 PolarHBondContact O-N 3.47Å
189R36.4Very low51.6Low232 Ų232111.4 Ų111.488%0.87563%0.629SS**  trans-84.681.6161.5-163.9172.8-169.1166.62.9106.8S187 S191S187-R189 PolarHBondContact O-N 3.23Å; R189-S191 PolarHBondContact O-N 2.75Å
190A28.2Very low49.9Very low79 Ų79114.9 Ų114.965%0.65365%0.648SS**  trans-57.3105168.600000108N188 T192N188-A190 VanDerWaalsContact C-N 3.26Å; N188-A190 PolarHBondContact O-N 3.47Å; A190-T192 PolarHBondContact O-N 3.04Å
191S30.9Very low47.6Very low104 Ų104118 Ų11873%0.72767%0.667SS**  trans-68.487.6163.945.60000107.2R189 E193R189-S191 PolarHBondContact O-N 2.75Å; S191-E193 PolarHBondContact O-N 3.03Å
192T29Very low45Very low121 Ų121118.7 Ų118.774%0.74268%0.68SS**  trans-6969.316352.10000108.7A190 T194A190-T192 PolarHBondContact O-N 3.04Å; T192-T194 VanDerWaalsContact C-N 3.26Å; T192-T194 PolarHBondContact O-N 2.97Å; T192-T194 VanDerWaalsContact O-N 3.08Å
193E27.2Very low42.4Very low159 Ų159123 Ų12374%0.74371%0.711SS**  trans-72.892.6157.2-71.7-153.7146.300107.1S191 Y195S191-E193 PolarHBondContact O-N 3.03Å; E193-Y195 VanDerWaalsContact C-N 3.27Å; E193-Y195 PolarHBondContact O-N 3.08Å
194T25.4Very low39.5Very low116 Ų116123 Ų12371%0.71272%0.724SS**  trans-65.991.1171.1-44.30000108T192 S196T192-T194 VanDerWaalsContact C-N 3.26Å; T192-T194 PolarHBondContact O-N 2.97Å; T192-T194 VanDerWaalsContact O-N 3.08Å; T194-S196 VanDerWaalsContact C-N 3.3Å; T194-S196 PolarHBondContact O-N 2.79Å
195Y27.2Very low36.6Very low203 Ų203130 Ų13080%0.79676%0.757SS**  trans-6693.5170.3-119.4-92.2000108.4E193 T197E193-Y195 VanDerWaalsContact C-N 3.27Å; E193-Y195 PolarHBondContact O-N 3.08Å; Y195-T197 VanDerWaalsContact C-N 3.35Å; Y195-T197 PolarHBondContact O-N 2.81Å
196S26.3Very low34.1Very low105 Ų105132.1 Ų132.173%0.73477%0.774SS**  trans-6988.5178.8-67.20000110.5T194 P198T194-S196 VanDerWaalsContact C-N 3.3Å; T194-S196 PolarHBondContact O-N 2.79Å; S196-P198 VanDerWaalsContact O-CD 3.31Å; S196-P198 WeakPolarHBondContact O-CD 3.45Å
197T28.8Very low31.5Very low119 Ų119137.7 Ų137.773%0.7380%0.8SS**PPolyproline II helixtrans-71.9116.7162.9510000109.2Y195 A199Y195-T197 VanDerWaalsContact C-N 3.35Å; Y195-T197 PolarHBondContact O-N 2.81Å; T197-A199 PolarHBondContact O-N 3.44Å
198P31.2Very low29.6Very low125 Ų125138 Ų13881%0.81281%0.809SS**PPolyproline II helixtrans-70123.9169.828.6-31.9000109.4S196S196-P198 VanDerWaalsContact O-CD 3.31Å; S196-P198 WeakPolarHBondContact O-CD 3.45Å
199A29.2Very low29Very low100 Ų100136.6 Ų136.683%0.82681%0.807SS**PPolyproline II helixtrans-72.1152.3177.600000111.9T197T197-A199 PolarHBondContact O-N 3.44Å
200L30Very low28.7Very low170 Ų170130.4 Ų130.489%0.8980%0.799SS**PPolyproline II helixtrans-69.9145.7-170.5-63.2162.8000113.5
201L29.2Very low28.8Very low169 Ų169133.2 Ų133.289%0.88581%0.808SS**PPolyproline II helixtrans-91.9132.7150.3-72.8172000108.5
202A29.8Very low29Very low94 Ų94132.4 Ų132.478%0.77781%0.807SS**PPolyproline II helixtrans-76.6157.6174.700000111.8
203P32.7Very low29Very low130 Ų130134.4 Ų134.484%0.84481%0.814SS**  -129.1173.4125.621.2-3.6000114.1
204S29Very low29.4Very low118 Ų118136.3 Ų136.383%0.82582%0.82SS**  trans-81.1171.5-162.348.20000117
205E27.9Very low30.1Very low185 Ų185137 Ų13786%0.86483%0.826SS**  trans-61.5158.6-172.2-54.3172.4110.700116.7
206S28.9Very low30.2Very low125 Ų125134 Ų13487%0.87482%0.824SS**  trans-157.9130.2149.4-76.60000111.2
207N26Very low30.7Very low174 Ų174135.2 Ų135.293%0.9382%0.821SS**  trans-65.4142.9-179.5-90.2-24.1000114.2
208A29.3Very low31.5Very low102 Ų102135.6 Ų135.684%0.84383%0.825SS**  trans-161.2134.2135.600000112.4
209T26.9Very low31.6Very low139 Ų139135.7 Ų135.785%0.85382%0.823SS**  trans-74.5147.9174.624.70000114
210S30.7Very low31.5Very low102 Ų102135.8 Ų135.871%0.71382%0.824SS**  172.3132.7108.855.80000116.2
211T29.6Very low31.5Very low137 Ų137132.7 Ų132.784%0.8482%0.817SS**  trans58.8124.614553.30000122.3
212A34.6Very low31.5Very low87 Ų87130.8 Ų130.872%0.71981%0.812SS**  trans-86.1165.6167.500000112.9
213N28.9Very low31.6Very low163 Ų163131.7 Ų131.787%0.87281%0.813SS**  trans-167.4122139.5-100.4-15.5000112.4
214F35.6Very low31.6Very low200 Ų200134 Ų13488%0.87781%0.812SS**  trans-102.4157.6154-80.2-91.4000108.2
215P40.5Very low32.3Very low130 Ų130134.2 Ų134.284%0.84481%0.811SS**  trans-123.3156.3146.135.5-26.1000112.2
216N29.6Very low32.5Very low141 Ų141129.3 Ų129.375%0.75480%0.802SS**  trans-143.8132.2-168.8-157.321.7000110.7
217I37Very low32.6Very low130 Ų130128.4 Ų128.467%0.66780%0.796SS**  trans60.4162.2164.5-3.3-179.6000117.3V219I217-V219 HydrophobicContact CG2-CG2 4.21Å
218P44.6Very low32.9Very low127 Ų127127 Ų12783%0.82579%0.787SS**  -133.8164.762.333.2-13.1000117.1
219V34.1Very low33Very low126 Ų126130.6 Ų130.676%0.76479%0.791SS**  trans-92.8150168.2171.30000109.4I217I217-V219 HydrophobicContact CG2-CG2 4.21Å
220A27.2Very low33.1Very low102 Ų102127.6 Ų127.684%0.84379%0.787SS**  trans-138.9151.6168.100000111.8
221S28.8Very low33Very low106 Ų106126 Ų12674%0.74179%0.787SS**  trans-117.5165.5-172.8-55.30000112.5
222T30.3Very low33.1Very low128 Ų128124.4 Ų124.479%0.78578%0.782SS**  trans109.6143.8145.6-380000118.5
223S32.4Very low33.1Very low113 Ų113128.6 Ų128.679%0.7979%0.786SS**  trans76.6125.1155.939.10000122
224Q32.2Very low33.5Very low179 Ų179125 Ų12584%0.83677%0.773SS**  trans-77175.2153-52.7-175.9-24.900110.6
225P43.7Very low33.5Very low123 Ų123124.9 Ų124.980%0.79978%0.776SS**  -143.7165.18231.3-11000117.6
226A30.9Very low33Very low82 Ų82121.9 Ų121.968%0.67877%0.769SS**  trans-14.7160148.200000119.1
227S31.6Very low33.2Very low106 Ų106122.5 Ų122.574%0.74177%0.771SS**  cis-157.1-174.75.9-850000107.8
228I31.7Very low33Very low145 Ų145124 Ų12474%0.74478%0.78SS**  172.4140.468.4-73.4-175.6000108.5
229L32.7Very low32.4Very low176 Ų176126 Ų12692%0.92178%0.778SS**  trans53.6148.1161.8-66.5162.8000119.7
230G28.5Very low32.2Very low76 Ų76127.8 Ų127.878%0.78478%0.782SS**  cis169.9156.3-3.100000107.8
231G28.2Very low32.3Very low68 Ų68126.9 Ų126.970%0.70177%0.774SS**  cis-156175.55.100000110
232S32.7Very low32.4Very low105 Ų105127.7 Ų127.773%0.73478%0.78SS**  59.3127.5102.2-72.50000114.9
233H34.9Very low32.3Very low174 Ų174125.3 Ų125.381%0.80678%0.78SS**  cis-158.4171.218.2-85.6-55.4000109
234S36.8Very low33.1Very low87 Ų87126.5 Ų126.561%0.60879%0.786SS**  cis-173.6137.7-16.449.70000111
235E34.3Very low33.2Very low198 Ų198126.6 Ų126.693%0.92579%0.786SS**  trans61.2155.1147.2-60.1-175.2126.200121.4
236G31Very low33.3Very low68 Ų68126.8 Ų126.870%0.70179%0.787SS**  cis-162.6142.3-6.100000108.3
237L33.6Very low33.2Very low154 Ų154126 Ų12681%0.80679%0.787SS**  69.2117.863.6-167137.7000114.9
238L32.2Very low33.1Very low161 Ų161129.5 Ų129.584%0.84379%0.792SS**  trans-156.7139.6133.2-104.2178.6000110.8
239Q33Very low33Very low169 Ų169130.7 Ų130.779%0.7980%0.795SS**  trans-149.4139-175.2-179.9178.522.200108
240I30.4Very low32.9Very low164 Ų164129.8 Ų129.884%0.84179%0.785SS**  trans-140.8149.4174.7-58-177.9000109.5
241A28Very low32.9Very low82 Ų82133 Ų13368%0.67879%0.785SS**  trans-142.4164.2-17300000114.4
242S31.3Very low32.7Very low123 Ų123133.4 Ų133.486%0.8679%0.788SS**  trans81108145-57.80000124.1
243G28.3Very low32.5Very low78 Ų78137.9 Ų137.980%0.80480%0.795SS**  trans76.6175.3132.800000120.7
244P50.1Low32.3Very low139 Ų139136.3 Ų136.390%0.90380%0.798SS**  cis-134-165.6-9.442-23.4000115.4
245Q33.8Very low31.8Very low180 Ų180135.5 Ų135.584%0.84180%0.803SS**  trans-91.9161.3-175.7-139.3-176.817.700114.4
246P45.1Very low31.8Very low127 Ų127135.2 Ų135.283%0.82580%0.802SS**  -152-17098.137.7-17.6000114.1
247G29.6Very low32.3Very low66 Ų66137 Ų13768%0.6880%0.801SS**  cis161.896.7-19.100000118.3
248Q29.1Very low32Very low180 Ų180134.5 Ų134.584%0.84180%0.803SS**  trans75.5157.4153.2-55-167.9-12.100125.2
249Q29.9Very low31.7Very low170 Ų170131.9 Ų131.979%0.79479%0.794SS**  trans82.7145.7159.6-65.1-177.328.100120.6
250Q29.6Very low31.3Very low156 Ų156134.5 Ų134.573%0.72980%0.798SS**  cis-168.1150.1-26.1-157.7-177.622.500112.1
251N28Very low31.2Very low145 Ų145135 Ų13578%0.77580%0.797SS**  trans62.7137.6154.1-81.4-6.6000125.2
252G25.1Very low31.2Very low75 Ų75139.6 Ų139.677%0.77380%0.804SS**  trans165.9103.3158.900000115.7
253F29.2Very low30.9Very low200 Ų200140.6 Ų140.688%0.87780%0.799SS**  trans-80.3166.2174-87.2-101.4000111.6
254T29.7Very low30.8Very low140 Ų140140.9 Ų140.986%0.85979%0.789SS**  -161.9147.852.148.90000116.7
255G27.4Very low29.6Very low70 Ų70140 Ų14072%0.72278%0.781SS**  trans101.4160.4154.200000116.3
256Q33.3Very low29.1Very low192 Ų192137 Ų13790%0.89778%0.775SS**  cis-156.8166.6-14.7-103-91-37.800107.8
257P41Very low28.1Very low105 Ų105136.2 Ų136.268%0.68277%0.768SS**  trans-113.8160.2-149.141.1-35.1000118.2
258A27.2Very low27.8Very low102 Ų102145 Ų14584%0.84378%0.781SS**  trans-168.2146.2135.300000110.9
259T26.8Very low27.6Very low107 Ų107142.7 Ų142.766%0.65678%0.78SS**  trans-133147.3-171.4510000112.8
260Y25.2Very low27.3Very low223 Ų223138.4 Ų138.488%0.87578%0.781SS**  trans-179.595.8141-85.6-60.1000108
261H27.6Very low27.1Very low176 Ų176136.7 Ų136.782%0.81579%0.786SS**  77.5120.188.1-90.1-69.2000117.5
262H28Very low27Very low178 Ų178141.8 Ų141.882%0.82480%0.795SS**  trans-148.8137.3171.9177.151.3000111.1
263N23.9Very low27Very low143 Ų143144.3 Ų144.377%0.76580%0.795SS**  trans172.5167.4165.2-114.4-0.9000107.5
264S26.5Very low26.8Very low85 Ų85139.4 Ų139.459%0.59479%0.791SS**  cis-170.4147.8-34.5-109.70000109.2
265T24.6Very low27.5Very low121 Ų121137.7 Ų137.774%0.74278%0.783SS**  trans48.1137.4148.5-25.40000123.7
266T25.1Very low27.4Very low115 Ų115145.1 Ų145.171%0.70679%0.79SS**  trans110.3133.2133-10.20000121.7
267T23.5Very low27.1Very low112 Ų112142 Ų14269%0.68778%0.784SS**  trans75.9134.9150.52.10000120.6
268W23.7Very low27.1Very low250 Ų250142.4 Ų142.495%0.94779%0.787SS**  trans-136.2133.4164.3-100.166.9000111
269T25.3Very low27Very low132 Ų132145.5 Ų145.581%0.8179%0.79SS**  trans-148.3142.2176.352.10000109.8
270G23.2Very low26.9Very low80 Ų80147.1 Ų147.183%0.82579%0.793SS**  trans114.3117.7156.400000116.8
271S25.7Very low27.4Very low119 Ų119142.8 Ų142.883%0.83279%0.793SS**  trans-77.2156.7175.8-43.10000114
272R25.9Very low27.4Very low253 Ų253140.5 Ų140.596%0.95578%0.782SS**  trans-164.4168.9141.6-106.6162.8-160.6-1194.1111.6
273T25.1Very low27.5Very low128 Ų128141.2 Ų141.279%0.78579%0.785SS**  trans-124.7144.4-14946.10000116.1
274A25.3Very low27.7Very low96 Ų96141.9 Ų141.979%0.79378%0.784SS**  trans65.717014600000119.5
275P42.9Very low27.8Very low105 Ų105145.8 Ų145.868%0.68280%0.798SS**  cis-124.6179.2-35.434.1-17.9000112.3
276Y25.5Very low27.9Very low225 Ų225143.1 Ų143.188%0.88280%0.795SS**  trans172.8139.6134-102.9-72.8000112.8
277T27Very low28Very low126 Ų126145.1 Ų145.177%0.77380%0.796SS**  trans-117.1154.5164.140.10000108.3
278P41.2Very low28.3Very low114 Ų114146.3 Ų146.374%0.7480%0.797SS**  -154.7153.590.638.9-19.1000118.7
279N24.9Very low28.5Very low168 Ų168140.4 Ų140.490%0.89878%0.78SS**  trans67.9145.5141.5-72.9-12.6000125.8
280L25.9Very low28.7Very low140 Ų140141.6 Ų141.673%0.73378%0.776SS**  trans-82.4170.6-170.4-138.969.9000112.9H282L280-H282 HydrophobicContact CD2-CB 3.89Å; L280-H282 HydrophobicContact CG-CB 4.46Å
281P34.4Very low29.1Very low132 Ų132145.8 Ų145.886%0.85777%0.774SS**  -134.8167.978.729.4-10.8000115.9
282H29Very low29.4Very low128 Ų128145 Ų14559%0.59377%0.766SS**  trans-103.3137.9-163.5176.892.1000112.2L280L280-H282 HydrophobicContact CD2-CB 3.89Å; L280-H282 HydrophobicContact CG-CB 4.46Å
283H30.1Very low29.6Very low193 Ų193139.1 Ų139.189%0.89476%0.761SS**  trans-138.1156.4158.4-87.9-76.2000111
284Q26.6Very low30.1Very low157 Ų157141.3 Ų141.373%0.73476%0.764SS**  trans-128.2112.6-143.6170.8-171.957.200111.1
285N29.2Very low30.8Very low168 Ų168141.3 Ų141.390%0.89876%0.756SS**  trans-179.5121.6138.7-103.2-21.2000111.1
286G26.7Very low30.5Very low65 Ų65142.5 Ų142.567%0.6776%0.764SS**  trans177.280.4179.600000111.1L288G286-L288 VanDerWaalsContact C-N 3.33Å; G286-L288 PolarHBondContact O-N 3.03Å
287H28.2Very low30.9Very low156 Ų156140 Ų14072%0.72276%0.76SS**  trans-81.878.4179.9-164.2-1.5000111.2Q289H287-Q289 PolarHBondContact CE1-NE2 2.94Å; H287-Q289 PolarHBondContact NE2-NE2 3.48Å; H287-Q289 VanDerWaalsContact NE2-NE2 3.2Å; H287-Q289 PolarHBondContact O-N 3.17Å
288L28.9Very low31.4Very low138 Ų138140 Ų14072%0.72376%0.762SS**  trans-74.3118.2157.6-81.4116.4000108.7G286 H290G286-L288 VanDerWaalsContact C-N 3.33Å; G286-L288 PolarHBondContact O-N 3.03Å; L288-H290 PolarHBondContact O-N 3.05Å
289Q27.7Very low31.5Very low126 Ų126137.6 Ų137.659%0.58976%0.758SS**  trans-78.492.5169.3-80.8-75.37.400109.4H287H287-Q289 PolarHBondContact CE1-NE2 2.94Å; H287-Q289 PolarHBondContact NE2-NE2 3.48Å; H287-Q289 VanDerWaalsContact NE2-NE2 3.2Å; H287-Q289 PolarHBondContact O-N 3.17Å
290H29.2Very low31.9Very low156 Ų156138 Ų13872%0.72275%0.754SS**  trans-85.1119.5163.7-79-74.2000109.3L288 P292L288-H290 PolarHBondContact O-N 3.05Å; H290-P292 VanDerWaalsContact O-CD 3.27Å; H290-P292 WeakPolarHBondContact O-CD 3.31Å
291H31Very low32.4Very low168 Ų168142 Ų14278%0.77876%0.761SS**  trans-88111.9170.1-62.9-86.5000109.9
292P33.3Very low32.2Very low102 Ų102146.2 Ų146.266%0.66276%0.76SS**PPolyproline II helixtrans-79.1151.6170.833.1-34.4000111.1H290 M294H290-P292 VanDerWaalsContact O-CD 3.27Å; H290-P292 WeakPolarHBondContact O-CD 3.31Å; P292-M294 PolarHBondContact O-N 3.12Å
293P29.5Very low32.7Very low131 Ų131144.4 Ų144.485%0.85176%0.759SS**PPolyproline II helixtrans-74.6123.4173.830.3-32.7000110.7
294M34.8Very low33Very low174 Ų174141.9 Ų141.986%0.85776%0.758SS**PPolyproline II helixtrans-89.4141.8171.7-68.5-117.5-76.600110.9P292P292-M294 PolarHBondContact O-N 3.12Å
295P41.6Very low33.5Very low95 Ų95140.8 Ų140.862%0.61775%0.752SS**PPolyproline II helixtrans-74.3152.5177.531.8-35.1000111.7H297P295-H297 PolarHBondContact O-N 3.34Å
296P35.7Very low34.1Very low131 Ų131138.4 Ų138.485%0.85174%0.74SS**  trans-76.1113.4179.929.9-33.2000111.5
297H33.1Very low35Very low171 Ų171142.9 Ų142.979%0.79274%0.743SS**  trans-79.2143.5160.8-74.7-73000110.2P295P295-H297 PolarHBondContact O-N 3.34Å
298P39.2Very low36.1Very low128 Ų128142.6 Ų142.683%0.83175%0.746SS**SBendtrans-79.9134.5-170.530.9-34.6000112.7
299G41.6Very low37.1Very low63 Ų63139.3 Ų139.365%0.64974%0.739SS**  trans87.869.3151.500000117.9
300H33.7Very low38.4Very low175 Ų175140.9 Ų140.981%0.8174%0.744SS**  trans-141.4130.8140.2-79.7-60.1000110.3W302H300-W302 PolarHBondContact O-N 3.05Å; H300-W302 VanDerWaalsContact O-N 3.17Å
301Y37.6Very low40.2Very low224 Ų224139.1 Ų139.188%0.87874%0.736SS**  trans-85.886.4-168.4-162.1-90.1000110.7
302W30.1Very low42.5Very low221 Ų221135.6 Ų135.684%0.83773%0.728SS**  trans-87.3124.7169.2-63.4113.2000109.7H300 V304H300-W302 PolarHBondContact O-N 3.05Å; H300-W302 VanDerWaalsContact O-N 3.17Å; W302-V304 PolarHBondContact O-N 3.47Å
303P39Very low45Very low90 Ų90134.3 Ų134.358%0.58472%0.72SS**  trans-65.9120.9174.7-13.727.3000109.2H305P303-H305 PolarHBondContact O-N 2.81Å
304V35.5Very low47.8Very low141 Ų141130.1 Ų130.186%0.85569%0.69SS**  trans-59.1106.6167.8178.10000107.2W302 N306W302-V304 PolarHBondContact O-N 3.47Å; V304-N306 PolarHBondContact O-N 3.31Å
305H37.3Very low50.4Low133 Ų133124.9 Ų124.962%0.61667%0.67SS**  trans-65119.6176.5-10362.1000108.8P303 E307P303-H305 PolarHBondContact O-N 2.81Å; H305-E307 HydrophobicContact CB-CG 4.36Å; H305-E307 PolarHBondContact O-N 3.37Å
306N42.2Very low52.8Low119 Ų119127.7 Ų127.764%0.63668%0.68SS**  trans-76.977.6173.3-170.759.8000108.6V304 L308 A309V304-N306 PolarHBondContact O-N 3.31Å; N306-L308 PolarHBondContact O-N 3.12Å; N306-A309 WeakPolarHBondContact O-CB 3.43Å; N306-A309 PolarHBondContact O-N 2.87Å
307E45.2Very low55.4Low159 Ų159129 Ų12974%0.74367%0.674SS**G310 helixtrans-59.1-19.5-170.7-67.6-170.7118.100114.2H305 A309 F310H305-E307 HydrophobicContact CB-CG 4.36Å; H305-E307 PolarHBondContact O-N 3.37Å; E307-A309 PolarHBondContact O-N 3.18Å; E307-F310 PolarHBondContact O-N 2.79Å
308L51.1Low58.2Low149 Ų149126 Ų12678%0.7867%0.671SS**G310 helixtrans-64.3-18.5171.8-118.275.8000113.9N306 F310N306-L308 PolarHBondContact O-N 3.12Å; L308-F310 VanDerWaalsContact C-N 3.35Å
309A49.9Very low60.6Low70 Ų70124.1 Ų124.158%0.57967%0.665SS**G310 helixtrans-81.4-8.7-179.200000114.5N306 E307N306-A309 WeakPolarHBondContact O-CB 3.43Å; N306-A309 PolarHBondContact O-N 2.87Å; E307-A309 PolarHBondContact O-N 3.18Å
310F56.8Low63.1Low158 Ų158125 Ų12569%0.69366%0.66SS**SBendtrans-113.2-2.1-173.6-73-79.8000114.7E307 L308E307-F310 PolarHBondContact O-N 2.79Å; L308-F310 VanDerWaalsContact C-N 3.35Å
311Q65.7Low66.1Low119 Ų119123.6 Ų123.656%0.55665%0.654SS**SBendtrans-90.9115.4172.6-73.2-85.5-44.100108.7
312P80.4Confident68.9Low94 Ų94116.7 Ų116.761%0.6163%0.627SS**  trans-63.2152.6174.328.3-34.9000110.1R441P312-R441 PolarHBondContact O-NH1 3.18Å; P312-R441 PolarHBondContact O-NH2 3.05Å
313P84.8Confident72.1Confident76 Ų76108.4 Ų108.449%0.49460%0.595SS.*  trans-58.3149.8179.226.5-35.4000111.2S315 E394P313-S315 PolarHBondContact O-N 2.74Å; P313-E394 WeakPolarHBondContact CA-OE1 3.41Å; P313-E394 WeakPolarHBondContact CB-OE1 3.31Å
314I88.8Confident74.9Confident42 Ų42105.6 Ų105.622%0.21558%0.577CS.*SBendtrans-64.3-31.5-178.2-62.8168.5000110.8E394 L440 R441 H444I314-E394 PolarHBondContact N-OE1 3.07Å; I314-L440 HydrophobicContact CD1-CB 3.93Å; I314-L440 HydrophobicContact CD1-CD2 3.65Å; I314-L440 HydrophobicContact CD1-CG 3.51Å; I314-R441 HydrophobicContact CD1-CB 4.35Å; I314-R441 HydrophobicContact CD1-CG 3.48Å; I314-R441 VanDerWaalsContact CD1-CG 3.48Å; I314-R441 HydrophobicContact CG1-CG 3.83Å; I314-H444 HydrophobicContact CG2-CB 3.98Å
315S89.3Confident77.9Confident64 Ų64102.2 Ų102.245%0.44856%0.56SS.*  trans-148.3151179.3-175.40000110.8P313 H317P313-S315 PolarHBondContact O-N 2.74Å; S315-H317 VanDerWaalsContact C-N 3.26Å; S315-H317 PolarHBondContact OG-N 2.75Å
316N91.3Very high80.8Confident155 Ų15597.4 Ų97.483%0.82954%0.538SS*.  trans-86.56.5170.5-66.6-20000112.6
317H91Very high83.5Confident157 Ų15793.8 Ų93.873%0.72753%0.525SS*.SBendtrans-63.3144.7172.6-103.2-93.3000111.1S315S315-H317 VanDerWaalsContact C-N 3.26Å; S315-H317 PolarHBondContact OG-N 2.75Å
318P90.9Very high86Confident110 Ų11088 Ų8871%0.71450%0.497SS*.PPolyproline II helixtrans-60.6146.5171.127.3-35.1000110.7
319A90.5Very high88.3Confident87 Ų8786 Ų8672%0.71948%0.482SS*.PPolyproline II helixtrans-57.6143.8173.300000110.7
320P94.6Very high90.6Very high83 Ų8383 Ų8354%0.53946%0.456SS..PPolyproline II helixtrans-67.4159.5179.630.7-36.7000111.2Y322 S343P320-Y322 VanDerWaalsContact C-N 3.28Å; P320-Y322 WeakPolarHBondContact CB-O 3.3Å; P320-Y322 WeakPolarHBondContact CG-O 3.11Å; P320-Y322 PolarHBondContact O-N 3.4Å; P320-S343 VanDerWaalsContact O-CB 3.3Å; P320-S343 WeakPolarHBondContact O-CB 3.4Å; P320-S343 PolarHBondContact O-OG 2.9Å
321E95.9Very high92.5Very high145 Ų14583 Ų8368%0.67846%0.46SS*.SBendtrans-61.3-38.8173.1-173.3-174.6175.100111.8S343E321-S343 PolarHBondContact O-N 2.91Å; E321-S343 PolarHBondContact O-OG 3.09Å
322Y97.1Very high93.9Very high78 Ų7884.2 Ų84.231%0.30647%0.47SS..EExtended strand (participates in β ladder)trans-124.6129.6177.5-52.7-82.2000109.7P320 K340 V341 P342P320-Y322 VanDerWaalsContact C-N 3.28Å; P320-Y322 WeakPolarHBondContact CB-O 3.3Å; P320-Y322 WeakPolarHBondContact CG-O 3.11Å; P320-Y322 PolarHBondContact O-N 3.4Å; Y322-K340 HydrophobicContact CD1-CB 3.49Å; Y322-K340 VanDerWaalsContact CD1-CB 3.49Å; Y322-K340 HydrophobicContact CD1-CD 4.43Å; Y322-K340 HydrophobicContact CD2-CB 4.39Å; Y322-K340 HydrophobicContact CD2-CD 3.98Å; Y322-K340 HydrophobicContact CE1-CB 3.74Å; Y322-K340 HydrophobicContact CE1-CD 4.32Å; Y322-K340 HydrophobicContact CE2-CD 3.83Å; Y322-K340 HydrophobicContact CG-CB 3.85Å; Y322-K340 HydrophobicContact CG-CD 4.27Å; Y322-V341 CarbonylContact C-O 3.57Å; Y322-V341 WeakPolarHBondContact CA-O 3.49Å; Y322-V341 WeakPolarHBondContact CB-O 3.45Å; Y322-P342 HydrophobicContact CD1-CB 4.47Å; Y322-P342 HydrophobicContact CD1-CG 4.28Å; Y322-P342 HydrophobicContact CE1-CG 4.2Å
323W97.1Very high94.6Very high48 Ų4881.9 Ų81.918%0.18245%0.454CS..EExtended strand (participates in β ladder)trans-82.5-24.4-179.271.6-94.1000112.8V341 S343 C345 V348 L389 C391 V397W323-V341 HydrophobicContact CZ2-CG1 4.23Å; W323-V341 PolarHBondContact N-O 3.12Å; W323-V341 VanDerWaalsContact N-O 3.09Å; W323-S343 PolarHBondContact N-OG 2.73Å; W323-C345 PolarHBondContact NE1-O 3.28Å; W323-V348 HydrophobicContact CH2-CG1 4.32Å; W323-V348 HydrophobicContact CZ2-CG1 3.9Å; W323-L389 HydrophobicContact CH2-CB 4.02Å; W323-C391 HydrophobicContact CD2-CB 3.72Å; W323-C391 HydrophobicContact CE3-CB 3.73Å; W323-C391 HydrophobicContact CG-CB 4.32Å; W323-C391 HydrophobicContact CH2-CB 4.08Å; W323-C391 HydrophobicContact CZ2-CB 4.06Å; W323-C391 HydrophobicContact CZ3-CB 3.92Å; W323-V397 HydrophobicContact CZ3-CG1 4.27Å; W323-V397 HydrophobicContact CZ3-CG2 4.08Å
324C98.1Very high95.3Very high30 Ų3082.5 Ų82.520%0.20345%0.451CS..EExtended strand (participates in β ladder)trans-147.9170.4168.770.60000112.8V341C324-V341 PolarHBondContact O-N 2.84Å; C324-V341 VanDerWaalsContact O-N 3.09Å; C324-V341 WeakPolarHBondContact SG-CG2 3.26Å
325S98.1Very high95.7Very high71 Ų7180.7 Ų80.750%0.49744%0.441SS..EExtended strand (participates in β ladder)trans-138.6133.4171.9-66.60000108.9F339S325-F339 CarbonylContact C-O 3.59Å; S325-F339 VanDerWaalsContact CA-O 3.31Å; S325-F339 WeakPolarHBondContact CA-O 3.49Å
326I98.6Very high96Very high31 Ų3179.4 Ų79.416%0.15944%0.439CS..EExtended strand (participates in β ladder)trans-118.2122-169.9-50.2176.8000108.3T338 F339 V341 V348 V350 F362 L389I326-T338 CarbonylContact O-C 3.52Å; I326-F339 HydrophobicContact CB-CB 4.38Å; I326-F339 PolarHBondContact N-O 2.77Å; I326-F339 PolarHBondContact O-N 3.3Å; I326-V341 HydrophobicContact CD1-CG2 4.08Å; I326-V341 HydrophobicContact CG1-CG2 4.46Å; I326-V348 HydrophobicContact CD1-CG1 4.1Å; I326-V348 HydrophobicContact CD1-CG2 4.28Å; I326-V350 HydrophobicContact CD1-CG2 3.76Å; I326-F362 HydrophobicContact CB-CD1 4.38Å; I326-F362 HydrophobicContact CB-CE1 4.48Å; I326-F362 HydrophobicContact CG2-CD1 4.07Å; I326-F362 HydrophobicContact CG2-CE1 4.07Å; I326-L389 HydrophobicContact CD1-CD1 3.99Å
327A98.6Very high96.2Very high44 Ų4480.3 Ų80.336%0.36444%0.438SS..  trans-110.8127.5172.400000109.2F329A327-F329 HydrophobicContact CB-CD2 4.45Å; A327-F329 HydrophobicContact CB-CE2 3.69Å; A327-F329 HydrophobicContact CB-CZ 4.43Å
328Y98.6Very high96.5Very high36 Ų3676.2 Ų76.214%0.14142%0.424CS..  trans-93.4140.2178.1175.8-119.6000110.9E330 Q334 V335 L364 L367 R380Y328-E330 HydrophobicContact CE1-CG 3.76Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.46Å; Y328-E330 WeakPolarHBondContact OH-CG 3.24Å; Y328-E330 PolarHBondContact OH-OE1 2.81Å; Y328-E330 VanDerWaalsContact OH-OE1 3.14Å; Y328-Q334 WeakPolarHBondContact O-CA 3.13Å; Y328-V335 HydrophobicContact CD1-CB 3.79Å; Y328-V335 HydrophobicContact CD1-CG1 4.01Å; Y328-V335 HydrophobicContact CE1-CB 4.06Å; Y328-V335 HydrophobicContact CE1-CG1 4.05Å; Y328-V335 PolarHBondContact O-N 3.44Å; Y328-L364 HydrophobicContact CD1-CD2 4Å; Y328-L364 HydrophobicContact CD2-CD1 3.79Å; Y328-L364 HydrophobicContact CD2-CD2 3.99Å; Y328-L364 HydrophobicContact CD2-CG 4.48Å; Y328-L364 HydrophobicContact CE2-CD1 3.78Å; Y328-L364 HydrophobicContact CG-CD1 4.33Å; Y328-L364 HydrophobicContact CG-CD2 3.68Å; Y328-L367 HydrophobicContact CD1-CD1 3.77Å; Y328-L367 HydrophobicContact CE1-CD1 4.43Å; Y328-R380 PolarHBondContact OH-NH1 2.95Å; Y328-R380 VanDerWaalsContact OH-NH1 3.14Å
329F98.6Very high96.8Very high108 Ų10872.3 Ų72.347%0.47440%0.396SS..EExtended strand (participates in β ladder)trans-130.4143.5-178.7-71-99.2000111A327 V333 Q334A327-F329 HydrophobicContact CB-CD2 4.45Å; A327-F329 HydrophobicContact CB-CE2 3.69Å; A327-F329 HydrophobicContact CB-CZ 4.43Å; F329-V333 CarbonylContact C-O 3.56Å; F329-V333 VanDerWaalsContact CA-O 3.31Å; F329-V333 WeakPolarHBondContact CA-O 3.47Å; F329-Q334 HydrophobicContact CD1-CB 3.99Å; F329-Q334 HydrophobicContact CE1-CB 3.63Å; F329-Q334 HydrophobicContact CE1-CG 4.33Å; F329-Q334 HydrophobicContact CZ-CB 3.99Å; F329-Q334 HydrophobicContact CZ-CG 4.21Å
330E98.1Very high97.2Very high7 Ų773.6 Ų73.63%0.03339%0.385CS..EExtended strand (participates in β ladder)trans-118.7109.5165.7-68.6178.8-178.600107.3Y328 D332 V333 V335 N369 R372 I376 R380Y328-E330 HydrophobicContact CE1-CG 3.76Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.46Å; Y328-E330 WeakPolarHBondContact OH-CG 3.24Å; Y328-E330 PolarHBondContact OH-OE1 2.81Å; Y328-E330 VanDerWaalsContact OH-OE1 3.14Å; E330-D332 PolarHBondContact O-N 3.37Å; E330-V333 PolarHBondContact N-O 3.12Å; E330-V333 PolarHBondContact O-N 3.42Å; E330-V335 HydrophobicContact CB-CG2 3.86Å; E330-V335 HydrophobicContact CG-CB 4.45Å; E330-V335 HydrophobicContact CG-CG2 3.86Å; E330-N369 WeakPolarHBondContact OE2-CB 3.3Å; E330-N369 PolarHBondContact OE2-ND2 2.62Å; E330-R372 IonicContact OE1-CZ 3.73Å; E330-R372 VanDerWaalsContact OE1-CZ 3.26Å; E330-R372 IonicContact OE1-NE 3.26Å; E330-R372 PolarHBondContact OE1-NE 2.61Å; E330-R372 VanDerWaalsContact OE1-NE 3.11Å; E330-R372 IonicContact OE1-NH2 2.92Å; E330-R372 PolarHBondContact OE1-NH2 3.37Å; E330-R372 IonicContact OE2-CZ 3.89Å; E330-R372 IonicContact OE2-NE 3.58Å; E330-R372 PolarHBondContact OE2-NE 3.2Å; E330-R372 IonicContact OE2-NH2 3.59Å; E330-R372 PolarHBondContact OE2-NH2 3.02Å; E330-I376 HydrophobicContact CB-CD1 4.31Å; E330-I376 HydrophobicContact CB-CG2 4.07Å; E330-I376 VanDerWaalsContact CD-CG2 3.47Å; E330-I376 HydrophobicContact CG-CG2 3.77Å; E330-I376 WeakPolarHBondContact OE2-CG2 3.25Å; E330-R380 WeakPolarHBondContact OE1-CD 3.42Å; E330-R380 IonicContact OE1-CZ 3.74Å; E330-R380 IonicContact OE1-NE 2.9Å; E330-R380 IonicContact OE1-NH1 2.79Å; E330-R380 PolarHBondContact OE1-NH1 3.35Å
331M96.2Very high97.3Very high158 Ų15869.7 Ų69.778%0.77836%0.36SS*.THydrogen-bonded Turntrans57.7-126.6-166.1-53.3-64.5-69.200111.1I376M331-I376 HydrophobicContact CG-CD1 3.97Å; M331-I376 HydrophobicContact CG-CG1 4.48Å
332D95.9Very high97.4Very high144 Ų14464.4 Ų64.477%0.7734%0.338SS*.THydrogen-bonded Turntrans-90.98.1177.861.5-41.9000113.7E330E330-D332 PolarHBondContact O-N 3.37Å
333V95.4Very high97.3Very high45 Ų4562.9 Ų62.927%0.27334%0.339SS..EExtended strand (participates in β ladder)trans-108.9123.9-176.4-178.90000110.4F329 E330 V335F329-V333 CarbonylContact C-O 3.56Å; F329-V333 VanDerWaalsContact CA-O 3.31Å; F329-V333 WeakPolarHBondContact CA-O 3.47Å; E330-V333 PolarHBondContact N-O 3.12Å; E330-V333 PolarHBondContact O-N 3.42Å; V333-V335 HydrophobicContact CG1-CG2 4.49Å
334Q98.1Very high97.2Very high89 Ų8965.5 Ų65.542%0.41636%0.364SS..EExtended strand (participates in β ladder)trans-68.2133.4169.1-174.1176-15.100109.8Y328 F329 T338Y328-Q334 WeakPolarHBondContact O-CA 3.13Å; F329-Q334 HydrophobicContact CD1-CB 3.99Å; F329-Q334 HydrophobicContact CE1-CB 3.63Å; F329-Q334 HydrophobicContact CE1-CG 4.33Å; F329-Q334 HydrophobicContact CZ-CB 3.99Å; F329-Q334 HydrophobicContact CZ-CG 4.21Å; Q334-T338 PolarHBondContact NE2-OG1 3.07Å
335V97.9Very high97.2Very high4 Ų465.5 Ų65.52%0.02436%0.364CS..  trans-123.2118.1-176.5174.60000109.8Y328 E330 V333 L367 N369Y328-V335 HydrophobicContact CD1-CB 3.79Å; Y328-V335 HydrophobicContact CD1-CG1 4.01Å; Y328-V335 HydrophobicContact CE1-CB 4.06Å; Y328-V335 HydrophobicContact CE1-CG1 4.05Å; Y328-V335 PolarHBondContact O-N 3.44Å; E330-V335 HydrophobicContact CB-CG2 3.86Å; E330-V335 HydrophobicContact CG-CB 4.45Å; E330-V335 HydrophobicContact CG-CG2 3.86Å; V333-V335 HydrophobicContact CG1-CG2 4.49Å; V335-L367 HydrophobicContact CG1-CB 3.92Å; V335-N369 HydrophobicContact CG1-CB 3.99Å; V335-N369 HydrophobicContact CG2-CB 3.74Å
336G96.4Very high97.1Very high38 Ų3865.4 Ų65.439%0.39236%0.362SS..SBendtrans80.4-179.9-172.600000113.4
337E94.9Very high97.1Very high174 Ų17466.8 Ų66.881%0.81337%0.369SS*.PPolyproline II helixtrans-82.2161.5177.1-60.3-171.4152.800111.6F339E337-F339 PolarHBondContact O-N 3.44Å
338T97.4Very high97.1Very high70 Ų7064.7 Ų64.743%0.42935%0.352SS..PPolyproline II helixtrans-71.2116.7174.5-57.10000110.1I326 Q334I326-T338 CarbonylContact O-C 3.52Å; Q334-T338 PolarHBondContact NE2-OG1 3.07Å
339F97.6Very high97.1Very high28 Ų2864.4 Ų64.412%0.12335%0.354CS..EExtended strand (participates in β ladder)trans-77.1123.6177.8-168.4-95.7000110.6S325 I326 E337 V341 V348 G359 R361 F362S325-F339 CarbonylContact C-O 3.59Å; S325-F339 VanDerWaalsContact CA-O 3.31Å; S325-F339 WeakPolarHBondContact CA-O 3.49Å; I326-F339 HydrophobicContact CB-CB 4.38Å; I326-F339 PolarHBondContact N-O 2.77Å; I326-F339 PolarHBondContact O-N 3.3Å; E337-F339 PolarHBondContact O-N 3.44Å; F339-V341 HydrophobicContact CD1-CG2 3.91Å; F339-V341 HydrophobicContact CE1-CG2 3.98Å; F339-V348 HydrophobicContact CE1-CG2 3.99Å; F339-G359 WeakPolarHBondContact CE1-O 3.43Å; F339-G359 WeakPolarHBondContact CZ-O 3.32Å; F339-R361 WeakPolarHBondContact CZ-O 3.34Å; F339-F362 HydrophobicContact CB-CB 4.42Å; F339-F362 HydrophobicContact CB-CD1 3.77Å; F339-F362 HydrophobicContact CB-CD2 3.93Å; F339-F362 HydrophobicContact CB-CE1 3.9Å; F339-F362 HydrophobicContact CB-CE2 4.07Å; F339-F362 HydrophobicContact CB-CG 3.79Å; F339-F362 HydrophobicContact CB-CZ 4.05Å; F339-F362 HydrophobicContact CD1-CB 3.81Å; F339-F362 HydrophobicContact CD1-CD1 4.5Å; F339-F362 HydrophobicContact CD1-CG 4.13Å; F339-F362 HydrophobicContact CD2-CB 3.92Å; F339-F362 AromaticContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CE2 4.24Å; F339-F362 AromaticContact CD2-CG 3.81Å; F339-F362 HydrophobicContact CD2-CG 3.81Å; F339-F362 HydrophobicContact CE1-CB 3.95Å; F339-F362 HydrophobicContact CE2-CB 4.06Å; F339-F362 HydrophobicContact CE2-CD2 4.24Å; F339-F362 HydrophobicContact CE2-CG 4.4Å; F339-F362 HydrophobicContact CG-CB 3.78Å; F339-F362 HydrophobicContact CG-CD1 4.07Å; F339-F362 AromaticContact CG-CD2 3.84Å; F339-F362 HydrophobicContact CG-CD2 3.84Å; F339-F362 HydrophobicContact CG-CE2 4.43Å; F339-F362 AromaticContact CG-CG 3.64Å; F339-F362 HydrophobicContact CG-CG 3.64Å; F339-F362 HydrophobicContact CZ-CB 4.06Å
340K97.6Very high97.1Very high115 Ų11560.1 Ų60.150%0.534%0.336SS..EExtended strand (participates in β ladder)trans-104.1131.9178.2-58.5-175.1178.5179.10110.2Y322Y322-K340 HydrophobicContact CD1-CB 3.49Å; Y322-K340 VanDerWaalsContact CD1-CB 3.49Å; Y322-K340 HydrophobicContact CD1-CD 4.43Å; Y322-K340 HydrophobicContact CD2-CB 4.39Å; Y322-K340 HydrophobicContact CD2-CD 3.98Å; Y322-K340 HydrophobicContact CE1-CB 3.74Å; Y322-K340 HydrophobicContact CE1-CD 4.32Å; Y322-K340 HydrophobicContact CE2-CD 3.83Å; Y322-K340 HydrophobicContact CG-CB 3.85Å; Y322-K340 HydrophobicContact CG-CD 4.27Å
341V97.6Very high97.1Very high0 Ų060 Ų600%034%0.336CS..EExtended strand (participates in β ladder)trans-103.8112.9-176.8-1690000109.9Y322 W323 C324 I326 F339 C345 V348Y322-V341 CarbonylContact C-O 3.57Å; Y322-V341 WeakPolarHBondContact CA-O 3.49Å; Y322-V341 WeakPolarHBondContact CB-O 3.45Å; W323-V341 HydrophobicContact CZ2-CG1 4.23Å; W323-V341 PolarHBondContact N-O 3.12Å; W323-V341 VanDerWaalsContact N-O 3.09Å; C324-V341 PolarHBondContact O-N 2.84Å; C324-V341 VanDerWaalsContact O-N 3.09Å; C324-V341 WeakPolarHBondContact SG-CG2 3.26Å; I326-V341 HydrophobicContact CD1-CG2 4.08Å; I326-V341 HydrophobicContact CG1-CG2 4.46Å; F339-V341 HydrophobicContact CD1-CG2 3.91Å; F339-V341 HydrophobicContact CE1-CG2 3.98Å; V341-C345 HydrophobicContact CG1-CB 4.18Å; V341-V348 HydrophobicContact CG1-CB 3.83Å; V341-V348 HydrophobicContact CG1-CG1 4.35Å; V341-V348 HydrophobicContact CG1-CG2 4.33Å; V341-V348 HydrophobicContact CG2-CB 3.97Å; V341-V348 HydrophobicContact CG2-CG1 4.04Å; V341-V348 HydrophobicContact CG2-CG2 3.83Å
342P96.9Very high97.2Very high34 Ų3453.6 Ų53.622%0.22131%0.311CS..EExtended strand (participates in β ladder)trans-60.3146.1-178.4-24.234.6000111.9Y322 S344 C345Y322-P342 HydrophobicContact CD1-CB 4.47Å; Y322-P342 HydrophobicContact CD1-CG 4.28Å; Y322-P342 HydrophobicContact CE1-CG 4.2Å; P342-S344 PolarHBondContact O-N 3.11Å; P342-S344 VanDerWaalsContact O-N 3.11Å; P342-C345 WeakPolarHBondContact O-CA 3.32Å; P342-C345 WeakPolarHBondContact O-CB 3.45Å; P342-C345 PolarHBondContact O-N 2.84Å
343S95.9Very high97.3Very high47 Ų4752 Ų5233%0.32930%0.295SS..THydrogen-bonded Turntrans-64.3-13.8176.3-640000114.1P320 E321 W323 C345P320-S343 VanDerWaalsContact O-CB 3.3Å; P320-S343 WeakPolarHBondContact O-CB 3.4Å; P320-S343 PolarHBondContact O-OG 2.9Å; E321-S343 PolarHBondContact O-N 2.91Å; E321-S343 PolarHBondContact O-OG 3.09Å; W323-S343 PolarHBondContact N-OG 2.73Å; S343-C345 VanDerWaalsContact C-N 3.28Å
344S96Very high97.4Very high102 Ų10254.6 Ų54.671%0.71331%0.31SS*.THydrogen-bonded Turntrans-74.4-14.716857.80000114.1P342 P346P342-S344 PolarHBondContact O-N 3.11Å; P342-S344 VanDerWaalsContact O-N 3.11Å; S344-P346 VanDerWaalsContact O-CD 3.22Å; S344-P346 WeakPolarHBondContact O-CD 3.24Å
345C96.4Very high97.3Very high30 Ų3053.1 Ų53.120%0.20331%0.305CS..  trans-110.781.1-180-63.30000108.6W323 V341 P342 S343 I347 D360W323-C345 PolarHBondContact NE1-O 3.28Å; V341-C345 HydrophobicContact CG1-CB 4.18Å; P342-C345 WeakPolarHBondContact O-CA 3.32Å; P342-C345 WeakPolarHBondContact O-CB 3.45Å; P342-C345 PolarHBondContact O-N 2.84Å; S343-C345 VanDerWaalsContact C-N 3.28Å; C345-I347 PolarHBondContact O-N 3.3Å; C345-I347 VanDerWaalsContact O-N 3.09Å; C345-D360 HydrophobicContact CB-CB 4.19Å
346P96.8Very high96.9Very high69 Ų6958 Ų5845%0.44834%0.337SS..SBendtrans-66.5-12.4-176.729.4-37.1000112.9S344 E390 C391S344-P346 VanDerWaalsContact O-CD 3.22Å; S344-P346 WeakPolarHBondContact O-CD 3.24Å; P346-E390 CarbonylContact O-C 3.53Å; P346-E390 WeakPolarHBondContact O-CA 3.37Å; P346-C391 PolarHBondContact O-N 2.85Å
347I98.3Very high96.4Very high61 Ų6161.2 Ų61.231%0.31335%0.354SS..EExtended strand (participates in β ladder)trans-122.1135.3178.4-65178.1000107.6C345 Q388 L389 E390C345-I347 PolarHBondContact O-N 3.3Å; C345-I347 VanDerWaalsContact O-N 3.09Å; I347-Q388 HydrophobicContact CG2-CG 3.42Å; I347-Q388 VanDerWaalsContact CG2-CG 3.42Å; I347-Q388 VanDerWaalsContact CG2-NE2 3.31Å; I347-L389 WeakPolarHBondContact CA-O 3.41Å; I347-E390 HydrophobicContact CD1-CG 4.38Å; I347-E390 HydrophobicContact CG1-CB 4.17Å; I347-E390 HydrophobicContact CG1-CG 3.91Å
348V98.5Very high95.8Very high0 Ų053.9 Ų53.90%033%0.325CS..EExtended strand (participates in β ladder)trans-128.6138.1169.161.20000110.4W323 I326 F339 V341 D360 Q388 L389W323-V348 HydrophobicContact CH2-CG1 4.32Å; W323-V348 HydrophobicContact CZ2-CG1 3.9Å; I326-V348 HydrophobicContact CD1-CG1 4.1Å; I326-V348 HydrophobicContact CD1-CG2 4.28Å; F339-V348 HydrophobicContact CE1-CG2 3.99Å; V341-V348 HydrophobicContact CG1-CB 3.83Å; V341-V348 HydrophobicContact CG1-CG1 4.35Å; V341-V348 HydrophobicContact CG1-CG2 4.33Å; V341-V348 HydrophobicContact CG2-CB 3.97Å; V341-V348 HydrophobicContact CG2-CG1 4.04Å; V341-V348 HydrophobicContact CG2-CG2 3.83Å; V348-D360 CarbonylContact C-O 3.54Å; V348-D360 VanDerWaalsContact CA-O 3.24Å; V348-D360 WeakPolarHBondContact CA-O 3.38Å; V348-Q388 CarbonylContact O-C 3.55Å; V348-Q388 VanDerWaalsContact O-CA 3.32Å; V348-Q388 WeakPolarHBondContact O-CA 3.49Å; V348-L389 HydrophobicContact CG1-CB 3.72Å; V348-L389 HydrophobicContact CG1-CD1 4.13Å; V348-L389 HydrophobicContact CG1-CG 4.14Å; V348-L389 PolarHBondContact N-O 3.29Å; V348-L389 PolarHBondContact O-N 2.93Å
349T98.8Very high95.4Very high29 Ų2952.4 Ų52.418%0.17832%0.323CS..EExtended strand (participates in β ladder)trans-105.2127.6173.8-53.30000109.8D351 D360 R361 F362 L402T349-D351 HydrophobicContact CG2-CB 4.4Å; T349-D360 PolarHBondContact N-O 3.49Å; T349-R361 CarbonylContact O-C 3.58Å; T349-R361 WeakPolarHBondContact O-CA 3.28Å; T349-F362 PolarHBondContact O-N 3.33Å; T349-L402 HydrophobicContact CG2-CD1 4.38Å
350V98.8Very high95.3Very high18 Ų1855.5 Ų55.511%0.10934%0.341CS..EExtended strand (participates in β ladder)trans-114.8116.2175.2-1740000108.1I326 F362 L364 G386 V387I326-V350 HydrophobicContact CD1-CG2 3.76Å; V350-F362 WeakPolarHBondContact CA-O 3.48Å; V350-F362 HydrophobicContact CG1-CD1 4.03Å; V350-F362 HydrophobicContact CG2-CB 4.35Å; V350-F362 HydrophobicContact CG2-CD1 4.43Å; V350-L364 HydrophobicContact CG1-CD1 3.91Å; V350-L364 HydrophobicContact CG1-CD2 4.29Å; V350-L364 HydrophobicContact CG1-CG 4.1Å; V350-G386 WeakPolarHBondContact O-CA 3.33Å; V350-V387 HydrophobicContact CB-CG2 4.21Å; V350-V387 PolarHBondContact N-O 3.24Å; V350-V387 PolarHBondContact O-N 3.01Å
351D98.6Very high95.3Very high4 Ų453.5 Ų53.52%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-141.9172.2-167.773.442000114.4T349 Y353 R361 F362 C363 L364T349-D351 HydrophobicContact CG2-CB 4.4Å; D351-Y353 HydrophobicContact CB-CD2 4.06Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.4Å; D351-Y353 WeakPolarHBondContact OD1-CD2 3.49Å; D351-Y353 PolarHBondContact OD1-N 3.11Å; D351-R361 IonicContact OD1-NH2 3.59Å; D351-R361 IonicContact OD2-CZ 3.56Å; D351-R361 VanDerWaalsContact OD2-CZ 3.24Å; D351-R361 IonicContact OD2-NE 3.82Å; D351-R361 PolarHBondContact OD2-NE 2.87Å; D351-R361 IonicContact OD2-NH2 2.86Å; D351-R361 PolarHBondContact OD2-NH2 3.09Å; D351-F362 PolarHBondContact N-O 3.42Å; D351-F362 VanDerWaalsContact N-O 3.11Å; D351-C363 PolarHBondContact OD1-SG 3.21Å; D351-L364 WeakPolarHBondContact O-CB 3.36Å; D351-L364 WeakPolarHBondContact O-CG 3.39Å; D351-L364 PolarHBondContact O-N 3.1Å
352G98.3Very high95.3Very high24 Ų2454.2 Ų54.225%0.24733%0.333CS..SBendtrans-90.36.4-178.800000114.9G365 G384G352-G365 WeakPolarHBondContact O-CA 3.47Å; G352-G384 PolarHBondContact N-O 2.95Å
353Y98.1Very high95.4Very high112 Ų11252.6 Ų52.644%0.43932%0.323SS..SBendtrans-79.5-170.1177.2-60.7-75.9000110.9D351 R361 C363 G365 Q366 K385D351-Y353 HydrophobicContact CB-CD2 4.06Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.4Å; D351-Y353 WeakPolarHBondContact OD1-CD2 3.49Å; D351-Y353 PolarHBondContact OD1-N 3.11Å; Y353-R361 VanDerWaalsContact CD2-NH2 3.32Å; Y353-C363 WeakPolarHBondContact O-CB 3.32Å; Y353-G365 WeakPolarHBondContact O-CA 3.34Å; Y353-G365 PolarHBondContact O-N 3.39Å; Y353-Q366 PolarHBondContact O-OE1 2.87Å; Y353-K385 HydrophobicContact CE2-CG 4.23Å
354V97.6Very high95.5Very high99 Ų9950.8 Ų50.860%0.631%0.309SS*.  trans-122.98.6-163.3-62.60000115.4P356 Q366V354-P356 WeakPolarHBondContact O-CD 3.36Å; V354-Q366 HydrophobicContact CB-CB 4.12Å; V354-Q366 HydrophobicContact CG1-CB 4.38Å
355D94.3Very high95.6Very high58 Ų5847.1 Ų47.131%0.3129%0.288SS..  trans-75.9116-173.1-176.3-6.7000111.7S357 R361 C363D355-S357 VanDerWaalsContact C-N 3.31Å; D355-S357 PolarHBondContact O-N 2.96Å; D355-S357 VanDerWaalsContact OD1-CB 3.23Å; D355-S357 WeakPolarHBondContact OD1-CB 3.39Å; D355-S357 PolarHBondContact OD1-N 3.29Å; D355-S357 PolarHBondContact OD1-OG 2.81Å; D355-R361 IonicContact OD2-NH1 3.64Å; D355-R361 PolarHBondContact OD2-NH1 2.85Å; D355-C363 PolarHBondContact N-SG 2.83Å; D355-C363 VanDerWaalsContact N-SG 3.44Å; D355-C363 VanDerWaalsContact O-CB 3.24Å; D355-C363 WeakPolarHBondContact O-CB 3.28Å
356P91.1Very high95.5Very high107 Ų10749 Ų4970%0.69529%0.294SS*.  trans-84.62-176.636.6-36.8000113.9V354 G358V354-P356 WeakPolarHBondContact O-CD 3.36Å; P356-G358 VanDerWaalsContact C-N 3.26Å; P356-G358 PolarHBondContact O-N 3.3Å
357S85.2Confident95.6Very high105 Ų10547 Ų4773%0.73428%0.279SS*.  trans-62.4-27.2-169.5-56.40000114.7D355D355-S357 VanDerWaalsContact C-N 3.31Å; D355-S357 PolarHBondContact O-N 2.96Å; D355-S357 VanDerWaalsContact OD1-CB 3.23Å; D355-S357 WeakPolarHBondContact OD1-CB 3.39Å; D355-S357 PolarHBondContact OD1-N 3.29Å; D355-S357 PolarHBondContact OD1-OG 2.81Å
358G83.3Confident95.5Very high20 Ų2049.3 Ų49.321%0.20630%0.301CS..  trans73.3-143.6175.500000114.7P356 D360 R361P356-G358 VanDerWaalsContact C-N 3.26Å; P356-G358 PolarHBondContact O-N 3.3Å; G358-D360 PolarHBondContact O-N 2.95Å; G358-R361 CarbonylContact C-O 3.56Å; G358-R361 VanDerWaalsContact CA-O 3.3Å; G358-R361 WeakPolarHBondContact CA-O 3.23Å; G358-R361 PolarHBondContact O-N 2.85Å
359G88.9Confident95.4Very high38 Ų3850.5 Ų50.539%0.39231%0.307SS..THydrogen-bonded Turntrans72.5-103.3-178.700000113.3F339F339-G359 WeakPolarHBondContact CE1-O 3.43Å; F339-G359 WeakPolarHBondContact CZ-O 3.32Å
360D94.3Very high95.3Very high93 Ų9355.6 Ų55.650%0.49734%0.338SS..THydrogen-bonded Turntrans-94.43.9177.469.4-24.5000113.1C345 V348 T349 G358C345-D360 HydrophobicContact CB-CB 4.19Å; V348-D360 CarbonylContact C-O 3.54Å; V348-D360 VanDerWaalsContact CA-O 3.24Å; V348-D360 WeakPolarHBondContact CA-O 3.38Å; T349-D360 PolarHBondContact N-O 3.49Å; G358-D360 PolarHBondContact O-N 2.95Å
361R98.1Very high95.1Very high74 Ų7460.8 Ų60.828%0.27936%0.361SS..EExtended strand (participates in β ladder)trans-136.1126-178.3-167.8178.5-176.3-155.61113.1F339 T349 D351 Y353 D355 G358F339-R361 WeakPolarHBondContact CZ-O 3.34Å; T349-R361 CarbonylContact O-C 3.58Å; T349-R361 WeakPolarHBondContact O-CA 3.28Å; D351-R361 IonicContact OD1-NH2 3.59Å; D351-R361 IonicContact OD2-CZ 3.56Å; D351-R361 VanDerWaalsContact OD2-CZ 3.24Å; D351-R361 IonicContact OD2-NE 3.82Å; D351-R361 PolarHBondContact OD2-NE 2.87Å; D351-R361 IonicContact OD2-NH2 2.86Å; D351-R361 PolarHBondContact OD2-NH2 3.09Å; Y353-R361 VanDerWaalsContact CD2-NH2 3.32Å; D355-R361 IonicContact OD2-NH1 3.64Å; D355-R361 PolarHBondContact OD2-NH1 2.85Å; G358-R361 CarbonylContact C-O 3.56Å; G358-R361 VanDerWaalsContact CA-O 3.3Å; G358-R361 WeakPolarHBondContact CA-O 3.23Å; G358-R361 PolarHBondContact O-N 2.85Å
362F98.3Very high95Very high14 Ų1463.1 Ų63.16%0.06137%0.369CS..EExtended strand (participates in β ladder)trans-115.296.1176.3-176.3-150.3000110.8I326 F339 T349 V350 D351 L364 L367I326-F362 HydrophobicContact CB-CD1 4.38Å; I326-F362 HydrophobicContact CB-CE1 4.48Å; I326-F362 HydrophobicContact CG2-CD1 4.07Å; I326-F362 HydrophobicContact CG2-CE1 4.07Å; F339-F362 HydrophobicContact CB-CB 4.42Å; F339-F362 HydrophobicContact CB-CD1 3.77Å; F339-F362 HydrophobicContact CB-CD2 3.93Å; F339-F362 HydrophobicContact CB-CE1 3.9Å; F339-F362 HydrophobicContact CB-CE2 4.07Å; F339-F362 HydrophobicContact CB-CG 3.79Å; F339-F362 HydrophobicContact CB-CZ 4.05Å; F339-F362 HydrophobicContact CD1-CB 3.81Å; F339-F362 HydrophobicContact CD1-CD1 4.5Å; F339-F362 HydrophobicContact CD1-CG 4.13Å; F339-F362 HydrophobicContact CD2-CB 3.92Å; F339-F362 AromaticContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CE2 4.24Å; F339-F362 AromaticContact CD2-CG 3.81Å; F339-F362 HydrophobicContact CD2-CG 3.81Å; F339-F362 HydrophobicContact CE1-CB 3.95Å; F339-F362 HydrophobicContact CE2-CB 4.06Å; F339-F362 HydrophobicContact CE2-CD2 4.24Å; F339-F362 HydrophobicContact CE2-CG 4.4Å; F339-F362 HydrophobicContact CG-CB 3.78Å; F339-F362 HydrophobicContact CG-CD1 4.07Å; F339-F362 AromaticContact CG-CD2 3.84Å; F339-F362 HydrophobicContact CG-CD2 3.84Å; F339-F362 HydrophobicContact CG-CE2 4.43Å; F339-F362 AromaticContact CG-CG 3.64Å; F339-F362 HydrophobicContact CG-CG 3.64Å; F339-F362 HydrophobicContact CZ-CB 4.06Å; T349-F362 PolarHBondContact O-N 3.33Å; V350-F362 WeakPolarHBondContact CA-O 3.48Å; V350-F362 HydrophobicContact CG1-CD1 4.03Å; V350-F362 HydrophobicContact CG2-CB 4.35Å; V350-F362 HydrophobicContact CG2-CD1 4.43Å; D351-F362 PolarHBondContact N-O 3.42Å; D351-F362 VanDerWaalsContact N-O 3.11Å; F362-L364 HydrophobicContact CD1-CD2 3.94Å; F362-L364 HydrophobicContact CD2-CD2 4.39Å; F362-L364 HydrophobicContact CE1-CD2 3.57Å; F362-L364 HydrophobicContact CE2-CD2 4.04Å; F362-L364 HydrophobicContact CG-CD2 4.34Å; F362-L364 HydrophobicContact CZ-CD2 3.62Å; F362-L367 HydrophobicContact CE2-CD1 4.15Å; F362-L367 HydrophobicContact CZ-CD1 4.15Å
363C98.3Very high94.9Very high1 Ų165.6 Ų65.61%0.00738%0.379CS..EExtended strand (participates in β ladder)trans-80.7129.2174.7-72.80000111.4D351 Y353 D355 Q366D351-C363 PolarHBondContact OD1-SG 3.21Å; Y353-C363 WeakPolarHBondContact O-CB 3.32Å; D355-C363 PolarHBondContact N-SG 2.83Å; D355-C363 VanDerWaalsContact N-SG 3.44Å; D355-C363 VanDerWaalsContact O-CB 3.24Å; D355-C363 WeakPolarHBondContact O-CB 3.28Å; C363-Q366 PolarHBondContact O-NE2 2.78Å; C363-Q366 VanDerWaalsContact O-NE2 3.07Å; C363-Q366 PolarHBondContact O-OE1 1.88Å; C363-Q366 VanDerWaalsContact O-OE1 3.05Å
364L98.4Very high94.9Very high8 Ų865.9 Ų65.94%0.04239%0.385CS..  trans-97.5-16.6-178.2-57178.8000113.2Y328 V350 D351 F362 Q366 L367 R380 I383Y328-L364 HydrophobicContact CD1-CD2 4Å; Y328-L364 HydrophobicContact CD2-CD1 3.79Å; Y328-L364 HydrophobicContact CD2-CD2 3.99Å; Y328-L364 HydrophobicContact CD2-CG 4.48Å; Y328-L364 HydrophobicContact CE2-CD1 3.78Å; Y328-L364 HydrophobicContact CG-CD1 4.33Å; Y328-L364 HydrophobicContact CG-CD2 3.68Å; V350-L364 HydrophobicContact CG1-CD1 3.91Å; V350-L364 HydrophobicContact CG1-CD2 4.29Å; V350-L364 HydrophobicContact CG1-CG 4.1Å; D351-L364 WeakPolarHBondContact O-CB 3.36Å; D351-L364 WeakPolarHBondContact O-CG 3.39Å; D351-L364 PolarHBondContact O-N 3.1Å; F362-L364 HydrophobicContact CD1-CD2 3.94Å; F362-L364 HydrophobicContact CD2-CD2 4.39Å; F362-L364 HydrophobicContact CE1-CD2 3.57Å; F362-L364 HydrophobicContact CE2-CD2 4.04Å; F362-L364 HydrophobicContact CG-CD2 4.34Å; F362-L364 HydrophobicContact CZ-CD2 3.62Å; L364-Q366 PolarHBondContact O-N 2.86Å; L364-L367 HydrophobicContact CB-CD1 4.47Å; L364-L367 HydrophobicContact CD2-CD1 3.85Å; L364-L367 WeakPolarHBondContact O-CB 3.3Å; L364-L367 PolarHBondContact O-N 2.95Å; L364-R380 PolarHBondContact O-NH1 2.99Å; L364-R380 VanDerWaalsContact O-NH1 3.15Å; L364-R380 PolarHBondContact O-NH2 2.95Å; L364-I383 HydrophobicContact CD1-CD1 4.26Å
365G97.5Very high94.9Very high26 Ų2664.4 Ų64.427%0.26838%0.383SS..THydrogen-bonded Turntrans-65.1-38.4-168.700000114G352 Y353 R380G352-G365 WeakPolarHBondContact O-CA 3.47Å; Y353-G365 WeakPolarHBondContact O-CA 3.34Å; Y353-G365 PolarHBondContact O-N 3.39Å; G365-R380 VanDerWaalsContact C-NH2 3.34Å; G365-R380 VanDerWaalsContact CA-NH2 3.33Å; G365-R380 PolarHBondContact O-NH2 2.59Å
366Q95.4Very high95.1Very high70 Ų7062.6 Ų62.633%0.32737%0.373SS..THydrogen-bonded Turntrans-81.4-12.9179.578.1-71.210.300114.1Y353 V354 C363 L364 S368Y353-Q366 PolarHBondContact O-OE1 2.87Å; V354-Q366 HydrophobicContact CB-CB 4.12Å; V354-Q366 HydrophobicContact CG1-CB 4.38Å; C363-Q366 PolarHBondContact O-NE2 2.78Å; C363-Q366 VanDerWaalsContact O-NE2 3.07Å; C363-Q366 PolarHBondContact O-OE1 1.88Å; C363-Q366 VanDerWaalsContact O-OE1 3.05Å; L364-Q366 PolarHBondContact O-N 2.86Å; Q366-S368 PolarHBondContact O-N 2.79Å
367L97.3Very high95.3Very high27 Ų2762.6 Ų62.614%0.14136%0.364CS..  trans-65.5131.7-179.8-57.7179.4000110.6Y328 V335 F362 L364 R372Y328-L367 HydrophobicContact CD1-CD1 3.77Å; Y328-L367 HydrophobicContact CE1-CD1 4.43Å; V335-L367 HydrophobicContact CG1-CB 3.92Å; F362-L367 HydrophobicContact CE2-CD1 4.15Å; F362-L367 HydrophobicContact CZ-CD1 4.15Å; L364-L367 HydrophobicContact CB-CD1 4.47Å; L364-L367 HydrophobicContact CD2-CD1 3.85Å; L364-L367 WeakPolarHBondContact O-CB 3.3Å; L364-L367 PolarHBondContact O-N 2.95Å; L367-R372 VanDerWaalsContact O-CZ 3.28Å; L367-R372 PolarHBondContact O-NH1 3.06Å; L367-R372 PolarHBondContact O-NH2 3.09Å
368S96.3Very high95.8Very high109 Ų10964.4 Ų64.476%0.76236%0.355SS*.  trans-98.9144.1180-68.30000111.7Q366Q366-S368 PolarHBondContact O-N 2.79Å
369N97Very high96.5Very high25 Ų2566.3 Ų66.313%0.13437%0.368CS..  trans-145121.3175.7174.514.7000109.7E330 V335 H371 R372E330-N369 WeakPolarHBondContact OE2-CB 3.3Å; E330-N369 PolarHBondContact OE2-ND2 2.62Å; V335-N369 HydrophobicContact CG1-CB 3.99Å; V335-N369 HydrophobicContact CG2-CB 3.74Å; N369-H371 PolarHBondContact O-N 3.16Å; N369-H371 PolarHBondContact OD1-N 3.24Å; N369-R372 HydrophobicContact CB-CB 4.14Å; N369-R372 VanDerWaalsContact O-CB 3.27Å; N369-R372 WeakPolarHBondContact O-CB 3.17Å; N369-R372 PolarHBondContact O-N 3.37Å
370V97.1Very high96.9Very high136 Ų13666 Ų6682%0.82436%0.355SS*.THydrogen-bonded Turntrans-71.3-13.7179.2-620000113.7
371H93.1Very high97.1Very high126 Ų12668.3 Ų68.358%0.58337%0.367SS*.THydrogen-bonded Turntrans-102.810.8175.7-58.7-47.2000112.7N369N369-H371 PolarHBondContact O-N 3.16Å; N369-H371 PolarHBondContact OD1-N 3.24Å
372R97.3Very high97.1Very high53 Ų5369.2 Ų69.220%0.237%0.374CS..  trans-65.9137.9176.5-168.9169.4-68.9152-1110.4E330 L367 N369 I376 E377E330-R372 IonicContact OE1-CZ 3.73Å; E330-R372 VanDerWaalsContact OE1-CZ 3.26Å; E330-R372 IonicContact OE1-NE 3.26Å; E330-R372 PolarHBondContact OE1-NE 2.61Å; E330-R372 VanDerWaalsContact OE1-NE 3.11Å; E330-R372 IonicContact OE1-NH2 2.92Å; E330-R372 PolarHBondContact OE1-NH2 3.37Å; E330-R372 IonicContact OE2-CZ 3.89Å; E330-R372 IonicContact OE2-NE 3.58Å; E330-R372 PolarHBondContact OE2-NE 3.2Å; E330-R372 IonicContact OE2-NH2 3.59Å; E330-R372 PolarHBondContact OE2-NH2 3.02Å; L367-R372 VanDerWaalsContact O-CZ 3.28Å; L367-R372 PolarHBondContact O-NH1 3.06Å; L367-R372 PolarHBondContact O-NH2 3.09Å; N369-R372 HydrophobicContact CB-CB 4.14Å; N369-R372 VanDerWaalsContact O-CB 3.27Å; N369-R372 WeakPolarHBondContact O-CB 3.17Å; N369-R372 PolarHBondContact O-N 3.37Å; R372-I376 HydrophobicContact CG-CB 4.08Å; R372-I376 HydrophobicContact CG-CG2 3.9Å; R372-E377 HydrophobicContact CG-CG 3.78Å
373T97.3Very high97.1Very high76 Ų7670.4 Ų70.447%0.46638%0.381SS..  trans-118.8160.8179.164.70000109.9A375 I376 E377T373-A375 PolarHBondContact O-N 3.08Å; T373-I376 HydrophobicContact CG2-CD1 4.48Å; T373-I376 WeakPolarHBondContact O-CA 3Å; T373-I376 WeakPolarHBondContact O-CB 3.33Å; T373-I376 PolarHBondContact O-N 2.58Å; T373-I376 WeakPolarHBondContact OG1-CD1 3.4Å; T373-E377 PolarHBondContact O-N 2.78Å
374E97Very high97.1Very high119 Ų11971.6 Ų71.656%0.55639%0.393SS*.Hα-helixtrans-52.3-33.4176.7-61.9-176.2-177.900113.3E377 R378E374-E377 PolarHBondContact O-N 2.8Å; E374-R378 WeakPolarHBondContact O-CB 3.45Å; E374-R378 VanDerWaalsContact O-CG 3.25Å; E374-R378 WeakPolarHBondContact O-CG 3.5Å; E374-R378 PolarHBondContact O-N 2.77Å; E374-R378 IonicContact OE2-CZ 3.18Å; E374-R378 VanDerWaalsContact OE2-CZ 3.28Å; E374-R378 IonicContact OE2-NH1 2.74Å; E374-R378 PolarHBondContact OE2-NH1 3.18Å; E374-R378 IonicContact OE2-NH2 3.95Å; E374-R378 PolarHBondContact OE2-NH2 3.28Å
375A97.4Very high97.1Very high67 Ų6776.3 Ų76.355%0.55441%0.413SS*.Hα-helixtrans-66.1-39.6177.800000111.7T373 A379T373-A375 PolarHBondContact O-N 3.08Å; A375-A379 WeakPolarHBondContact O-CB 3.42Å; A375-A379 PolarHBondContact O-N 3.48Å
376I98.2Very high97.1Very high21 Ų2175.3 Ų75.311%0.10840%0.403CS..Hα-helixtrans-70.1-40.9175.8-62.7162.9000110.1E330 M331 R372 T373 A379 R380E330-I376 HydrophobicContact CB-CD1 4.31Å; E330-I376 HydrophobicContact CB-CG2 4.07Å; E330-I376 VanDerWaalsContact CD-CG2 3.47Å; E330-I376 HydrophobicContact CG-CG2 3.77Å; E330-I376 WeakPolarHBondContact OE2-CG2 3.25Å; M331-I376 HydrophobicContact CG-CD1 3.97Å; M331-I376 HydrophobicContact CG-CG1 4.48Å; R372-I376 HydrophobicContact CG-CB 4.08Å; R372-I376 HydrophobicContact CG-CG2 3.9Å; T373-I376 HydrophobicContact CG2-CD1 4.48Å; T373-I376 WeakPolarHBondContact O-CA 3Å; T373-I376 WeakPolarHBondContact O-CB 3.33Å; T373-I376 PolarHBondContact O-N 2.58Å; T373-I376 WeakPolarHBondContact OG1-CD1 3.4Å; I376-A379 PolarHBondContact O-N 2.95Å; I376-R380 HydrophobicContact CG2-CG 4.41Å; I376-R380 WeakPolarHBondContact O-CD 3.44Å; I376-R380 VanDerWaalsContact O-CG 3.23Å; I376-R380 WeakPolarHBondContact O-CG 3.23Å; I376-R380 PolarHBondContact O-N 3.45Å
377E95.4Very high97.3Very high106 Ų10673.2 Ų73.250%0.49540%0.395SS..Hα-helixtrans-60.9-48.3175.1-66.6179.9153.100111.7R372 T373 E374 A379 R380 L381R372-E377 HydrophobicContact CG-CG 3.78Å; T373-E377 PolarHBondContact O-N 2.78Å; E374-E377 PolarHBondContact O-N 2.8Å; E377-A379 VanDerWaalsContact C-N 3.32Å; E377-A379 PolarHBondContact O-N 2.8Å; E377-R380 PolarHBondContact O-N 2.84Å; E377-L381 PolarHBondContact O-N 3.31Å
378R96.2Very high97.4Very high144 Ų14473.9 Ų73.954%0.54340%0.397SS..Hα-helixtrans-58.2-42.4173.8-72.3173.6-171.7122.212.3111.6E374 L381 H382E374-R378 WeakPolarHBondContact O-CB 3.45Å; E374-R378 VanDerWaalsContact O-CG 3.25Å; E374-R378 WeakPolarHBondContact O-CG 3.5Å; E374-R378 PolarHBondContact O-N 2.77Å; E374-R378 IonicContact OE2-CZ 3.18Å; E374-R378 VanDerWaalsContact OE2-CZ 3.28Å; E374-R378 IonicContact OE2-NH1 2.74Å; E374-R378 PolarHBondContact OE2-NH1 3.18Å; E374-R378 IonicContact OE2-NH2 3.95Å; E374-R378 PolarHBondContact OE2-NH2 3.28Å; R378-L381 PolarHBondContact O-N 3.16Å; R378-H382 PolarHBondContact O-CE1 2.92Å; R378-H382 VanDerWaalsContact O-CE1 3.23Å; R378-H382 PolarHBondContact O-ND1 3.36Å
379A97.8Very high97.5Very high60 Ų6070.4 Ų70.450%0.49637%0.37SS..Hα-helixtrans-63-42.6176.500000112.2A375 I376 E377 L381 H382A375-A379 WeakPolarHBondContact O-CB 3.42Å; A375-A379 PolarHBondContact O-N 3.48Å; I376-A379 PolarHBondContact O-N 2.95Å; E377-A379 VanDerWaalsContact C-N 3.32Å; E377-A379 PolarHBondContact O-N 2.8Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 2.93Å; A379-H382 PolarHBondContact O-N 3.34Å
380R98.5Very high97.6Very high31 Ų3170.9 Ų70.912%0.11737%0.371CS..Hα-helixtrans-60.6-34180-73.71646277.46.1113.5Y328 E330 L364 G365 I376 E377 H382 I383Y328-R380 PolarHBondContact OH-NH1 2.95Å; Y328-R380 VanDerWaalsContact OH-NH1 3.14Å; E330-R380 WeakPolarHBondContact OE1-CD 3.42Å; E330-R380 IonicContact OE1-CZ 3.74Å; E330-R380 IonicContact OE1-NE 2.9Å; E330-R380 IonicContact OE1-NH1 2.79Å; E330-R380 PolarHBondContact OE1-NH1 3.35Å; L364-R380 PolarHBondContact O-NH1 2.99Å; L364-R380 VanDerWaalsContact O-NH1 3.15Å; L364-R380 PolarHBondContact O-NH2 2.95Å; G365-R380 VanDerWaalsContact C-NH2 3.34Å; G365-R380 VanDerWaalsContact CA-NH2 3.33Å; G365-R380 PolarHBondContact O-NH2 2.59Å; I376-R380 HydrophobicContact CG2-CG 4.41Å; I376-R380 WeakPolarHBondContact O-CD 3.44Å; I376-R380 VanDerWaalsContact O-CG 3.23Å; I376-R380 WeakPolarHBondContact O-CG 3.23Å; I376-R380 PolarHBondContact O-N 3.45Å; E377-R380 PolarHBondContact O-N 2.84Å; R380-H382 PolarHBondContact O-N 2.75Å; R380-I383 HydrophobicContact CB-CD1 4.3Å; R380-I383 HydrophobicContact CG-CD1 4.16Å; R380-I383 WeakPolarHBondContact O-CB 3.3Å; R380-I383 WeakPolarHBondContact O-CG1 3.39Å; R380-I383 PolarHBondContact O-N 3.43Å; R380-I383 VanDerWaalsContact O-N 3.12Å
381L97.5Very high97.6Very high142 Ų14265.5 Ų65.574%0.74334%0.339SS*.Hα-helixtrans-57.2-29.1174.3-64.2175.4000113.1E377 R378 A379E377-L381 PolarHBondContact O-N 3.31Å; R378-L381 PolarHBondContact O-N 3.16Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 2.93Å
382H98Very high97.7Very high93 Ų9363.1 Ų63.143%0.43133%0.327SS..THydrogen-bonded Turntrans-89.4-4.1-177.9-56.391.2000113.5R378 A379 R380 S403 H405R378-H382 PolarHBondContact O-CE1 2.92Å; R378-H382 VanDerWaalsContact O-CE1 3.23Å; R378-H382 PolarHBondContact O-ND1 3.36Å; A379-H382 PolarHBondContact O-N 3.34Å; R380-H382 PolarHBondContact O-N 2.75Å; H382-S403 PolarHBondContact O-OG 3.41Å; H382-S403 VanDerWaalsContact O-OG 3.05Å; H382-H405 AromaticContact CD2-CE1 3.47Å; H382-H405 PolarHBondContact CD2-CE1 3.45Å; H382-H405 VanDerWaalsContact CD2-CE1 3.47Å; H382-H405 AromaticContact CD2-NE2 3.41Å; H382-H405 PolarHBondContact CD2-NE2 2.91Å
383I98.6Very high97.4Very high39 Ų3964.1 Ų64.120%0.235%0.354CS..THydrogen-bonded Turntrans-64.1-49.7174.2-61.1172.7000109.1L364 R380 K385 G386 S403L364-I383 HydrophobicContact CD1-CD1 4.26Å; R380-I383 HydrophobicContact CB-CD1 4.3Å; R380-I383 HydrophobicContact CG-CD1 4.16Å; R380-I383 WeakPolarHBondContact O-CB 3.3Å; R380-I383 WeakPolarHBondContact O-CG1 3.39Å; R380-I383 PolarHBondContact O-N 3.43Å; R380-I383 VanDerWaalsContact O-N 3.12Å; I383-K385 PolarHBondContact O-N 2.91Å; I383-G386 WeakPolarHBondContact O-CA 3.47Å; I383-G386 PolarHBondContact O-N 2.96Å; I383-S403 VanDerWaalsContact O-CB 3.28Å; I383-S403 WeakPolarHBondContact O-CB 3.46Å; I383-S403 PolarHBondContact O-OG 3Å
384G97.7Very high97.1Very high25 Ų2564.8 Ų64.826%0.25835%0.352SS..THydrogen-bonded Turntrans54.7-124.417900000112G352 G386G352-G384 PolarHBondContact N-O 2.95Å; G384-G386 PolarHBondContact O-N 3.38Å
385K98.4Very high97Very high108 Ų10859.8 Ų59.847%0.4733%0.332SS..THydrogen-bonded Turntrans-71.7-7.5175.2-59.1168.3-174.3161.30114.2Y353 I383 V387 L402Y353-K385 HydrophobicContact CE2-CG 4.23Å; I383-K385 PolarHBondContact O-N 2.91Å; K385-V387 PolarHBondContact O-N 3.41Å; K385-L402 HydrophobicContact CB-CB 3.81Å; K385-L402 WeakPolarHBondContact CB-O 3.36Å
386G98.6Very high97.1Very high5 Ų558.5 Ų58.55%0.05232%0.316CS..  trans60-127.217200000114.6V350 I383 G384 L402 S403V350-G386 WeakPolarHBondContact O-CA 3.33Å; I383-G386 WeakPolarHBondContact O-CA 3.47Å; I383-G386 PolarHBondContact O-N 2.96Å; G384-G386 PolarHBondContact O-N 3.38Å; G386-L402 CarbonylContact O-C 3.59Å; G386-L402 PolarHBondContact O-N 3.31Å; G386-S403 PolarHBondContact O-N 2.71Å
387V98.8Very high97.1Very high25 Ų2558.8 Ų58.815%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-135.1156.3-176.8-62.90000111.6V350 K385 L389 R400 V407V350-V387 HydrophobicContact CB-CG2 4.21Å; V350-V387 PolarHBondContact N-O 3.24Å; V350-V387 PolarHBondContact O-N 3.01Å; K385-V387 PolarHBondContact O-N 3.41Å; V387-L389 HydrophobicContact CG2-CD2 4.29Å; V387-R400 WeakPolarHBondContact CA-O 3.4Å; V387-V407 HydrophobicContact CG1-CB 4.38Å; V387-V407 HydrophobicContact CG1-CG1 3.69Å; V387-V407 HydrophobicContact CG1-CG2 4.04Å
388Q98.8Very high97.2Very high41 Ų4156.8 Ų56.819%0.19231%0.307CS..EExtended strand (participates in β ladder)trans-116127.8168.6176.6-179.571.700108.7I347 V348 V399 R400 L402I347-Q388 HydrophobicContact CG2-CG 3.42Å; I347-Q388 VanDerWaalsContact CG2-CG 3.42Å; I347-Q388 VanDerWaalsContact CG2-NE2 3.31Å; V348-Q388 CarbonylContact O-C 3.55Å; V348-Q388 VanDerWaalsContact O-CA 3.32Å; V348-Q388 WeakPolarHBondContact O-CA 3.49Å; Q388-V399 WeakPolarHBondContact O-CA 3.05Å; Q388-R400 HydrophobicContact CB-CB 4.2Å; Q388-R400 PolarHBondContact N-O 2.99Å; Q388-R400 PolarHBondContact O-N 2.97Å; Q388-L402 HydrophobicContact CB-CD1 3.93Å; Q388-L402 HydrophobicContact CB-CG 4.44Å
389L98.8Very high97.4Very high37 Ų3750.3 Ų50.319%0.19428%0.283CS..EExtended strand (participates in β ladder)trans-101.9130.5173.1-45.1177.7000107.9W323 I326 I347 V348 V387 W398 V399W323-L389 HydrophobicContact CH2-CB 4.02Å; I326-L389 HydrophobicContact CD1-CD1 3.99Å; I347-L389 WeakPolarHBondContact CA-O 3.41Å; V348-L389 HydrophobicContact CG1-CB 3.72Å; V348-L389 HydrophobicContact CG1-CD1 4.13Å; V348-L389 HydrophobicContact CG1-CG 4.14Å; V348-L389 PolarHBondContact N-O 3.29Å; V348-L389 PolarHBondContact O-N 2.93Å; V387-L389 HydrophobicContact CG2-CD2 4.29Å; L389-W398 WeakPolarHBondContact CA-O 3.31Å; L389-V399 HydrophobicContact CD2-CG2 3.79Å
390E98.5Very high97.4Very high34 Ų3451.5 Ų51.516%0.15928%0.275CS..EExtended strand (participates in β ladder)trans-127.6119.5-175.8174.6-179.4-179.500110P346 I347 K392 V397 W398 Y434P346-E390 CarbonylContact O-C 3.53Å; P346-E390 WeakPolarHBondContact O-CA 3.37Å; I347-E390 HydrophobicContact CD1-CG 4.38Å; I347-E390 HydrophobicContact CG1-CB 4.17Å; I347-E390 HydrophobicContact CG1-CG 3.91Å; E390-K392 HydrophobicContact CG-CG 4.15Å; E390-K392 WeakPolarHBondContact OE1-CE 3.38Å; E390-K392 IonicContact OE1-NZ 2.68Å; E390-V397 WeakPolarHBondContact O-CA 3.45Å; E390-W398 HydrophobicContact CB-CB 4.32Å; E390-W398 PolarHBondContact N-O 2.91Å; E390-W398 PolarHBondContact O-N 2.92Å; E390-Y434 VanDerWaalsContact CD-OH 3.24Å; E390-Y434 PolarHBondContact OE1-OH 3.07Å; E390-Y434 VanDerWaalsContact OE2-CE2 3.26Å; E390-Y434 WeakPolarHBondContact OE2-CE2 3.31Å; E390-Y434 VanDerWaalsContact OE2-CZ 3.27Å; E390-Y434 PolarHBondContact OE2-OH 2.96Å
391C97.9Very high97.4Very high24 Ų2450 Ų5016%0.16227%0.269CS..EExtended strand (participates in β ladder)trans-86.1126.1172.8-174.20000109.9W323 P346 D396W323-C391 HydrophobicContact CD2-CB 3.72Å; W323-C391 HydrophobicContact CE3-CB 3.73Å; W323-C391 HydrophobicContact CG-CB 4.32Å; W323-C391 HydrophobicContact CH2-CB 4.08Å; W323-C391 HydrophobicContact CZ2-CB 4.06Å; W323-C391 HydrophobicContact CZ3-CB 3.92Å; P346-C391 PolarHBondContact O-N 2.85Å; C391-D396 CarbonylContact C-O 3.51Å; C391-D396 WeakPolarHBondContact CA-O 3.48Å
392K94.9Very high97.4Very high75 Ų7546.1 Ų46.133%0.32625%0.249SC..EExtended strand (participates in β ladder)trans-121.6143.5178-66.6-164.2-179179.50112.1E390 E394 G395 D396 W398 Y434E390-K392 HydrophobicContact CG-CG 4.15Å; E390-K392 WeakPolarHBondContact OE1-CE 3.38Å; E390-K392 IonicContact OE1-NZ 2.68Å; K392-E394 PolarHBondContact O-N 3.01Å; K392-G395 PolarHBondContact O-N 2.86Å; K392-D396 HydrophobicContact CB-CB 4.44Å; K392-D396 PolarHBondContact N-O 3.45Å; K392-D396 PolarHBondContact O-N 3.43Å; K392-W398 HydrophobicContact CD-CG 4.48Å; K392-Y434 WeakPolarHBondContact CE-OH 3.5Å; K392-Y434 PolarHBondContact NZ-OH 3.18Å
393G92.1Very high97.4Very high74 Ų7442 Ų4276%0.76323%0.23SC*.THydrogen-bonded Turntrans58.4-127.5-179.600000110.6
394E91Very high97.4Very high91 Ų9146 Ų4643%0.42525%0.252SS..THydrogen-bonded Turntrans-80.9-14.2-178.9-60.9179.496.800114.4P313 I314 K392 L440 R441P313-E394 WeakPolarHBondContact CA-OE1 3.41Å; P313-E394 WeakPolarHBondContact CB-OE1 3.31Å; I314-E394 PolarHBondContact N-OE1 3.07Å; K392-E394 PolarHBondContact O-N 3.01Å; E394-L440 HydrophobicContact CB-CD2 3.87Å; E394-L440 WeakPolarHBondContact O-CD2 3.29Å; E394-R441 IonicContact OE2-CZ 3.59Å; E394-R441 IonicContact OE2-NE 3.76Å; E394-R441 IonicContact OE2-NH2 2.66Å; E394-R441 PolarHBondContact OE2-NH2 3.09Å
395G94.8Very high97.4Very high14 Ų1449.2 Ų49.214%0.14426%0.26CS..THydrogen-bonded Turntrans15421-175.500000116.4K392 F438K392-G395 PolarHBondContact O-N 2.86Å; G395-F438 VanDerWaalsContact O-CD1 3.27Å; G395-F438 WeakPolarHBondContact O-CD1 3.38Å; G395-F438 WeakPolarHBondContact O-CE1 3.29Å
396D97.9Very high97.4Very high40 Ų4045.3 Ų45.321%0.21425%0.248CC..EExtended strand (participates in β ladder)trans-72.1131.8170.2-78.3-6.3000109.6C391 K392 K436 D439 L440C391-D396 CarbonylContact C-O 3.51Å; C391-D396 WeakPolarHBondContact CA-O 3.48Å; K392-D396 HydrophobicContact CB-CB 4.44Å; K392-D396 PolarHBondContact N-O 3.45Å; K392-D396 PolarHBondContact O-N 3.43Å; D396-K436 VanDerWaalsContact CG-NZ 3.27Å; D396-K436 IonicContact OD1-NZ 2.97Å; D396-K436 WeakPolarHBondContact OD2-CE 3.36Å; D396-K436 IonicContact OD2-NZ 3.76Å; D396-K436 PolarHBondContact OD2-NZ 2.65Å; D396-D439 WeakPolarHBondContact OD1-CA 3.46Å; D396-L440 PolarHBondContact OD1-N 3.07Å
397V98.7Very high97.4Very high26 Ų2646.8 Ų46.816%0.15826%0.256CS..EExtended strand (participates in β ladder)trans-108.6131.3-176.7-169.60000111.1W323 E390 V437 F438W323-V397 HydrophobicContact CZ3-CG1 4.27Å; W323-V397 HydrophobicContact CZ3-CG2 4.08Å; E390-V397 WeakPolarHBondContact O-CA 3.45Å; V397-V437 HydrophobicContact CB-CG2 4.23Å; V397-V437 HydrophobicContact CG1-CG2 4.17Å; V397-V437 PolarHBondContact O-N 3.45Å; V397-F438 HydrophobicContact CB-CB 3.95Å; V397-F438 HydrophobicContact CG2-CB 4.17Å; V397-F438 HydrophobicContact CG2-CD1 4.12Å; V397-F438 HydrophobicContact CG2-CG 4.47Å; V397-F438 PolarHBondContact N-O 3.24Å; V397-F438 PolarHBondContact O-N 3.24Å
398W98.7Very high97.4Very high65 Ų6551.7 Ų51.725%0.24628%0.276CS..EExtended strand (participates in β ladder)trans-114147.1174.2-67.269.8000110.4L389 E390 K392 Y434 I435 K436L389-W398 WeakPolarHBondContact CA-O 3.31Å; E390-W398 HydrophobicContact CB-CB 4.32Å; E390-W398 PolarHBondContact N-O 2.91Å; E390-W398 PolarHBondContact O-N 2.92Å; K392-W398 HydrophobicContact CD-CG 4.48Å; W398-Y434 HydrophobicContact CB-CE2 3.77Å; W398-Y434 HydrophobicContact CD2-CE1 4.28Å; W398-Y434 AromaticContact CE3-CD1 3.96Å; W398-Y434 HydrophobicContact CE3-CD1 3.96Å; W398-Y434 AromaticContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE2 4.18Å; W398-Y434 HydrophobicContact CE3-CG 4.45Å; W398-Y434 AromaticContact CE3-CZ 3.69Å; W398-Y434 HydrophobicContact CG-CE2 4.43Å; W398-Y434 HydrophobicContact CZ3-CD1 4.22Å; W398-Y434 AromaticContact CZ3-CE1 3.94Å; W398-Y434 HydrophobicContact CZ3-CE1 3.94Å; W398-I435 CarbonylContact C-O 3.56Å; W398-I435 VanDerWaalsContact CA-O 3.32Å; W398-I435 WeakPolarHBondContact CA-O 3.37Å; W398-K436 HydrophobicContact CD2-CB 3.91Å; W398-K436 HydrophobicContact CD2-CG 4.47Å; W398-K436 HydrophobicContact CE3-CB 4.13Å; W398-K436 VanDerWaalsContact CE3-N 3.27Å; W398-K436 HydrophobicContact CH2-CB 3.97Å; W398-K436 HydrophobicContact CZ2-CB 3.75Å; W398-K436 HydrophobicContact CZ2-CD 4.08Å; W398-K436 HydrophobicContact CZ2-CG 4.22Å; W398-K436 HydrophobicContact CZ3-CB 4.16Å
399V98.7Very high97.4Very high8 Ų851.2 Ų51.25%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-117.1128.3174.4175.40000109Q388 L389 I429 Y434 I435 V437Q388-V399 WeakPolarHBondContact O-CA 3.05Å; L389-V399 HydrophobicContact CD2-CG2 3.79Å; V399-I429 HydrophobicContact CB-CD1 4.11Å; V399-I429 HydrophobicContact CG1-CD1 3.94Å; V399-Y434 WeakPolarHBondContact O-CA 3.33Å; V399-I435 PolarHBondContact N-O 3.2Å; V399-I435 PolarHBondContact O-N 3.49Å; V399-I435 VanDerWaalsContact O-N 3.07Å; V399-V437 HydrophobicContact CB-CG1 3.91Å; V399-V437 HydrophobicContact CG2-CB 4.22Å; V399-V437 HydrophobicContact CG2-CG1 3.53Å; V399-V437 HydrophobicContact CG2-CG2 3.64Å
400R98.6Very high97.3Very high84 Ų8455.7 Ų55.732%0.31730%0.295SS..EExtended strand (participates in β ladder)trans-107.6123.7165-170-178.6-64.3-80.3-4.6109.2V387 Q388 L402 A433 Y434V387-R400 WeakPolarHBondContact CA-O 3.4Å; Q388-R400 HydrophobicContact CB-CB 4.2Å; Q388-R400 PolarHBondContact N-O 2.99Å; Q388-R400 PolarHBondContact O-N 2.97Å; R400-L402 HydrophobicContact CG-CD2 3.99Å; R400-L402 HydrophobicContact CG-CG 4.46Å; R400-L402 PolarHBondContact O-N 3.19Å; R400-A433 WeakPolarHBondContact CA-O 3.32Å; R400-Y434 HydrophobicContact CB-CD2 3.79Å; R400-Y434 HydrophobicContact CB-CE2 4.47Å; R400-Y434 HydrophobicContact CG-CD2 4.3Å
401C98.5Very high97.3Very high0 Ų054.7 Ų54.70%029%0.292CS..EExtended strand (participates in β ladder)trans-82.2112.1171.2-165.90000109.8H405 I429 Y430 S432 A433C401-H405 PolarHBondContact SG-O 3.24Å; C401-I429 HydrophobicContact CB-CG2 4.19Å; C401-Y430 VanDerWaalsContact CB-O 3.31Å; C401-Y430 WeakPolarHBondContact CB-O 3.46Å; C401-S432 VanDerWaalsContact O-CA 3.29Å; C401-S432 WeakPolarHBondContact O-CA 3.37Å; C401-S432 PolarHBondContact O-N 3.48Å; C401-A433 PolarHBondContact N-O 2.95Å
402L98.3Very high97.2Very high60 Ų6060.6 Ų60.631%0.31431%0.312SS..  trans-98.2-19.6177.9-64.8178.5000112.5T349 K385 G386 Q388 R400T349-L402 HydrophobicContact CG2-CD1 4.38Å; K385-L402 HydrophobicContact CB-CB 3.81Å; K385-L402 WeakPolarHBondContact CB-O 3.36Å; G386-L402 CarbonylContact O-C 3.59Å; G386-L402 PolarHBondContact O-N 3.31Å; Q388-L402 HydrophobicContact CB-CD1 3.93Å; Q388-L402 HydrophobicContact CB-CG 4.44Å; R400-L402 HydrophobicContact CG-CD2 3.99Å; R400-L402 HydrophobicContact CG-CG 4.46Å; R400-L402 PolarHBondContact O-N 3.19Å
403S98.3Very high97.3Very high6 Ų658.6 Ų58.64%0.04230%0.303CS..SBendtrans-66150.5172.9-174.70000111.7H382 I383 G386 H405 P431H382-S403 PolarHBondContact O-OG 3.41Å; H382-S403 VanDerWaalsContact O-OG 3.05Å; I383-S403 VanDerWaalsContact O-CB 3.28Å; I383-S403 WeakPolarHBondContact O-CB 3.46Å; I383-S403 PolarHBondContact O-OG 3Å; G386-S403 PolarHBondContact O-N 2.71Å; S403-H405 PolarHBondContact O-N 3.06Å; S403-H405 PolarHBondContact OG-N 3.14Å; S403-H405 VanDerWaalsContact OG-N 3.11Å; S403-P431 WeakPolarHBondContact O-CB 3.39Å
404D97.9Very high97.5Very high123 Ų12355.6 Ų55.666%0.65827%0.269SS*.SBendtrans-71.7-6.6169.2-51.8-61.3000112.1P431D404-P431 VanDerWaalsContact O-CG 3.26Å; D404-P431 WeakPolarHBondContact O-CG 3.44Å
405H98.1Very high97.7Very high93 Ų9351.3 Ų51.343%0.43125%0.249SC..SBendtrans-109.7147.1176.1-69.667.4000111.8H382 C401 S403H382-H405 AromaticContact CD2-CE1 3.47Å; H382-H405 PolarHBondContact CD2-CE1 3.45Å; H382-H405 VanDerWaalsContact CD2-CE1 3.47Å; H382-H405 AromaticContact CD2-NE2 3.41Å; H382-H405 PolarHBondContact CD2-NE2 2.91Å; C401-H405 PolarHBondContact SG-O 3.24Å; S403-H405 PolarHBondContact O-N 3.06Å; S403-H405 PolarHBondContact OG-N 3.14Å; S403-H405 VanDerWaalsContact OG-N 3.11Å
406A98.1Very high97.6Very high26 Ų2657 Ų5722%0.21527%0.267CS..  trans-68.8145.2175.300000111.4K428 I429A406-K428 HydrophobicContact CB-CD 4.36Å; A406-K428 VanDerWaalsContact CB-CE 3.48Å; A406-K428 HydrophobicContact CB-CG 3.91Å; A406-I429 CarbonylContact C-O 3.54Å; A406-I429 VanDerWaalsContact CA-O 3.23Å; A406-I429 WeakPolarHBondContact CA-O 3.15Å; A406-I429 WeakPolarHBondContact CB-O 3.37Å
407V98.4Very high97.4Very high36 Ų3660.7 Ų60.722%0.21828%0.282CS..EExtended strand (participates in β ladder)trans-106.5154173.3-61.70000110.9V387 V409 K428 I429V387-V407 HydrophobicContact CG1-CB 4.38Å; V387-V407 HydrophobicContact CG1-CG1 3.69Å; V387-V407 HydrophobicContact CG1-CG2 4.04Å; V407-V409 HydrophobicContact CG2-CG2 4.5Å; V407-K428 CarbonylContact O-C 3.52Å; V407-K428 WeakPolarHBondContact O-CA 3.44Å; V407-I429 HydrophobicContact CG2-CB 3.84Å; V407-I429 HydrophobicContact CG2-CD1 4.43Å; V407-I429 HydrophobicContact CG2-CG1 4.48Å; V407-I429 HydrophobicContact CG2-CG2 4.45Å; V407-I429 PolarHBondContact N-O 3.28Å; V407-I429 PolarHBondContact O-N 3.49Å
408F98.3Very high96.9Very high129 Ų12961.6 Ų61.657%0.56629%0.292SS*.EExtended strand (participates in β ladder)trans-116.1122.9-177.6-63.8-94.4000108.8T181 V426 K428T181-F408 HydrophobicContact CG2-CE1 4.28Å; F408-V426 HydrophobicContact CB-CG1 3.77Å; F408-V426 HydrophobicContact CD1-CG1 3.84Å; F408-V426 HydrophobicContact CG-CG1 4.29Å; F408-K428 HydrophobicContact CD1-CB 4Å; F408-K428 HydrophobicContact CD1-CG 4.23Å; F408-K428 HydrophobicContact CE1-CB 3.88Å; F408-K428 HydrophobicContact CE1-CD 4Å; F408-K428 HydrophobicContact CE1-CG 3.78Å; F408-K428 HydrophobicContact CZ-CD 4.17Å; F408-K428 HydrophobicContact CZ-CG 4.1Å
409V98.2Very high96.6Very high30 Ų3061.9 Ų61.918%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-120.1134-172.9174.90000110.1V407 H427 I429V407-V409 HydrophobicContact CG2-CG2 4.5Å; V409-H427 HydrophobicContact CB-CB 4.49Å; V409-H427 PolarHBondContact N-O 3.49Å; V409-H427 WeakPolarHBondContact O-CB 3.36Å; V409-H427 PolarHBondContact O-CD2 3.38Å; V409-H427 PolarHBondContact O-N 2.81Å; V409-I429 HydrophobicContact CB-CD1 4.19Å; V409-I429 HydrophobicContact CG2-CD1 3.54Å; V409-I429 HydrophobicContact CG2-CG1 4.25Å
410Q97.3Very high96.2Very high131 Ų13164.4 Ų64.461%0.61232%0.324SS*.  trans-91.9130.2162-173.8-158.8-1.800108
411S97.9Very high95.5Very high14 Ų1462.8 Ų62.810%0.09833%0.328CS..  trans-157.3122.9172168.80000111.3Y413 L414 D415 V437S411-Y413 PolarHBondContact O-N 2.8Å; S411-Y413 WeakPolarHBondContact OG-CB 3.25Å; S411-Y413 PolarHBondContact OG-N 2.78Å; S411-Y413 VanDerWaalsContact OG-N 3.16Å; S411-L414 PolarHBondContact O-N 3.09Å; S411-L414 PolarHBondContact OG-N 2.99Å; S411-D415 PolarHBondContact O-N 2.91Å; S411-V437 WeakPolarHBondContact CB-O 3.34Å; S411-V437 PolarHBondContact OG-O 3.37Å
412Y95.6Very high95Very high147 Ų14767.5 Ų67.558%0.57636%0.359SS*.Hα-helixtrans-60.6-26.4172.6-66.4-56.5000113.6D415 R416 P422Y412-D415 WeakPolarHBondContact CA-OD2 3.46Å; Y412-R416 WeakPolarHBondContact O-CB 3.41Å; Y412-R416 PolarHBondContact O-N 3.1Å; Y412-P422 HydrophobicContact CD1-CB 3.51Å; Y412-P422 HydrophobicContact CE1-CB 3.62Å
413Y97.6Very high94.4Very high34 Ų3465.9 Ų65.913%0.13336%0.357CS..Hα-helixtrans-66-52.5171.3167.7-100.8000109.6S411 D415 R416 E417 K436 D439S411-Y413 PolarHBondContact O-N 2.8Å; S411-Y413 WeakPolarHBondContact OG-CB 3.25Å; S411-Y413 PolarHBondContact OG-N 2.78Å; S411-Y413 VanDerWaalsContact OG-N 3.16Å; Y413-D415 PolarHBondContact O-N 2.86Å; Y413-R416 WeakPolarHBondContact O-CB 3.33Å; Y413-R416 PolarHBondContact O-N 3.47Å; Y413-E417 HydrophobicContact CD1-CG 4.33Å; Y413-E417 HydrophobicContact CD2-CG 4.18Å; Y413-E417 HydrophobicContact CE1-CG 3.87Å; Y413-E417 HydrophobicContact CE2-CG 3.65Å; Y413-E417 HydrophobicContact CG-CG 4.46Å; Y413-E417 VanDerWaalsContact CZ-CG 3.47Å; Y413-E417 WeakPolarHBondContact O-CG 3.46Å; Y413-E417 PolarHBondContact O-N 2.87Å; Y413-E417 PolarHBondContact OH-OE2 3.09Å; Y413-E417 VanDerWaalsContact OH-OE2 3.12Å; Y413-K436 HydrophobicContact CE1-CB 4.14Å; Y413-K436 HydrophobicContact CE1-CD 4.4Å; Y413-K436 HydrophobicContact CE1-CG 3.98Å; Y413-K436 WeakPolarHBondContact CE1-O 3.43Å; Y413-D439 HydrophobicContact CD2-CB 3.71Å; Y413-D439 HydrophobicContact CE2-CB 3.83Å
414L96.5Very high94Very high11 Ų1166.5 Ų66.56%0.05836%0.36CS..Hα-helixtrans-66.7-33.7180-66.7179.4000113.3S411 R416 E417 A418 H427 I435 K436 V437S411-L414 PolarHBondContact O-N 3.09Å; S411-L414 PolarHBondContact OG-N 2.99Å; L414-R416 VanDerWaalsContact C-N 3.31Å; L414-R416 PolarHBondContact O-N 3.36Å; L414-E417 PolarHBondContact O-N 3.13Å; L414-A418 WeakPolarHBondContact O-CB 3.37Å; L414-A418 PolarHBondContact O-N 2.92Å; L414-H427 HydrophobicContact CD1-CB 3.7Å; L414-H427 PolarHBondContact O-CE1 2.89Å; L414-I435 HydrophobicContact CD1-CD1 4.09Å; L414-I435 HydrophobicContact CD2-CD1 4.34Å; L414-K436 WeakPolarHBondContact CD2-O 3.24Å; L414-V437 HydrophobicContact CD1-CB 4.41Å; L414-V437 HydrophobicContact CD1-CG1 4.16Å
415D94.6Very high93.6Very high1 Ų160.8 Ų60.81%0.00533%0.33CS..Hα-helixtrans-56.4-49.3171.9-64.6-28.7000110.2S411 Y412 Y413 A418 G419 R420 G423 H427S411-D415 PolarHBondContact O-N 2.91Å; Y412-D415 WeakPolarHBondContact CA-OD2 3.46Å; Y413-D415 PolarHBondContact O-N 2.86Å; D415-A418 CarbonylContact O-C 3.59Å; D415-A418 PolarHBondContact O-N 2.84Å; D415-G419 PolarHBondContact O-N 3.07Å; D415-G419 VanDerWaalsContact O-N 3.14Å; D415-R420 HydrophobicContact CB-CB 4.22Å; D415-R420 WeakPolarHBondContact O-CB 3.17Å; D415-R420 PolarHBondContact O-N 3.24Å; D415-G423 WeakPolarHBondContact OD2-CA 3.47Å; D415-G423 PolarHBondContact OD2-N 3.32Å; D415-H427 WeakPolarHBondContact CA-NE2 3.44Å; D415-H427 PolarHBondContact N-CE1 2.89Å; D415-H427 PolarHBondContact N-NE2 3.42Å; D415-H427 IonicContact OD1-CD2 3.11Å; D415-H427 IonicContact OD1-CE1 2.68Å; D415-H427 IonicContact OD1-NE2 2.68Å; D415-H427 PolarHBondContact OD1-NE2 3.4Å; D415-H427 IonicContact OD2-NE2 2.9Å
416R93.3Very high93.6Very high134 Ų13458.5 Ų58.551%0.50632%0.322SS..Hα-helixtrans-65.7-45.6179.5175175.8168.7160.44.8112.8Y412 Y413 L414 A418 G419Y412-R416 WeakPolarHBondContact O-CB 3.41Å; Y412-R416 PolarHBondContact O-N 3.1Å; Y413-R416 WeakPolarHBondContact O-CB 3.33Å; Y413-R416 PolarHBondContact O-N 3.47Å; L414-R416 VanDerWaalsContact C-N 3.31Å; L414-R416 PolarHBondContact O-N 3.36Å; R416-A418 PolarHBondContact O-N 2.89Å; R416-G419 PolarHBondContact O-N 2.83Å
417E92.9Very high93.5Very high116 Ų11657.3 Ų57.354%0.54231%0.312SS..Hα-helixtrans-62-26.9177.5-61.6-64.299.600111.7Y413 L414 Q442Y413-E417 HydrophobicContact CD1-CG 4.33Å; Y413-E417 HydrophobicContact CD2-CG 4.18Å; Y413-E417 HydrophobicContact CE1-CG 3.87Å; Y413-E417 HydrophobicContact CE2-CG 3.65Å; Y413-E417 HydrophobicContact CG-CG 4.46Å; Y413-E417 VanDerWaalsContact CZ-CG 3.47Å; Y413-E417 WeakPolarHBondContact O-CG 3.46Å; Y413-E417 PolarHBondContact O-N 2.87Å; Y413-E417 PolarHBondContact OH-OE2 3.09Å; Y413-E417 VanDerWaalsContact OH-OE2 3.12Å; L414-E417 PolarHBondContact O-N 3.13Å; E417-Q442 PolarHBondContact OE1-NE2 3.44Å
418A90.3Very high93.5Very high45 Ų4557.9 Ų57.937%0.37231%0.312SS..THydrogen-bonded Turntrans-93.67174.600000114.7I182 L414 D415 R416 R420 H427I182-A418 HydrophobicContact CD1-CB 3.5Å; L414-A418 WeakPolarHBondContact O-CB 3.37Å; L414-A418 PolarHBondContact O-N 2.92Å; D415-A418 CarbonylContact O-C 3.59Å; D415-A418 PolarHBondContact O-N 2.84Å; R416-A418 PolarHBondContact O-N 2.89Å; A418-R420 VanDerWaalsContact C-N 3.31Å; A418-R420 HydrophobicContact CB-CG 4.14Å; A418-R420 PolarHBondContact O-N 2.86Å; A418-H427 VanDerWaalsContact CB-CE1 3.41Å; A418-H427 WeakPolarHBondContact CB-CE1 3.5Å
419G90.4Very high93.5Very high71 Ų7151.8 Ų51.873%0.73229%0.285SS*.THydrogen-bonded Turntrans66.326.3179.200000114.9D415 R416D415-G419 PolarHBondContact O-N 3.07Å; D415-G419 VanDerWaalsContact O-N 3.14Å; R416-G419 PolarHBondContact O-N 2.83Å
420R92Very high93.5Very high62 Ų6253.2 Ų53.223%0.23429%0.288CS..PPolyproline II helixtrans-93.6159.2178.9-55.7-58.8-63.1-161.2-2.6111.9Q180 I182 D415 A418 D424 A425Q180-R420 VanDerWaalsContact CD-NH1 3.32Å; I182-R420 HydrophobicContact CD1-CG 3.7Å; D415-R420 HydrophobicContact CB-CB 4.22Å; D415-R420 WeakPolarHBondContact O-CB 3.17Å; D415-R420 PolarHBondContact O-N 3.24Å; A418-R420 VanDerWaalsContact C-N 3.31Å; A418-R420 HydrophobicContact CB-CG 4.14Å; A418-R420 PolarHBondContact O-N 2.86Å; R420-D424 IonicContact CZ-OD2 3.24Å; R420-D424 IonicContact NE-OD2 3.37Å; R420-D424 PolarHBondContact NE-OD2 3.38Å; R420-D424 IonicContact NH2-OD2 3.81Å; R420-D424 PolarHBondContact NH2-OD2 2.91Å; R420-A425 HydrophobicContact CB-CB 4.45Å; R420-A425 HydrophobicContact CG-CB 4.04Å
421A83.9Confident93.5Very high49 Ų4948.9 Ų48.941%0.40527%0.271SS..PPolyproline II helixtrans-63.9145.9166.100000110.3G423 D424A421-G423 PolarHBondContact O-N 3.11Å; A421-G423 VanDerWaalsContact O-N 3.16Å; A421-D424 HydrophobicContact CB-CB 3.95Å; A421-D424 WeakPolarHBondContact O-CB 3.45Å; A421-D424 PolarHBondContact O-N 3.41Å; A421-D424 VanDerWaalsContact O-N 3.09Å
422P87Confident93.4Very high99 Ų9952.8 Ų52.864%0.64330%0.298SS*.THydrogen-bonded Turntrans-57119.4179.9-26.135.3000112.3Y412Y412-P422 HydrophobicContact CD1-CB 3.51Å; Y412-P422 HydrophobicContact CE1-CB 3.62Å
423G86Confident93.4Very high27 Ų2745.8 Ų45.828%0.27827%0.271SS..THydrogen-bonded Turntrans84.83.917900000115.6D415 A421D415-G423 WeakPolarHBondContact OD2-CA 3.47Å; D415-G423 PolarHBondContact OD2-N 3.32Å; A421-G423 PolarHBondContact O-N 3.11Å; A421-G423 VanDerWaalsContact O-N 3.16Å
424D90.2Very high93.4Very high19 Ų1946.7 Ų46.710%0.10227%0.274CS..  trans-88.10.3-176.9-177.363.1000114.4H177 I179 Q180 R420 A421H177-D424 WeakPolarHBondContact CB-OD1 3.41Å; H177-D424 IonicContact CD2-OD1 2.78Å; H177-D424 IonicContact CD2-OD2 4Å; H177-D424 IonicContact CG-OD1 2.8Å; I179-D424 WeakPolarHBondContact CA-O 3.44Å; Q180-D424 PolarHBondContact N-O 2.79Å; R420-D424 IonicContact CZ-OD2 3.24Å; R420-D424 IonicContact NE-OD2 3.37Å; R420-D424 PolarHBondContact NE-OD2 3.38Å; R420-D424 IonicContact NH2-OD2 3.81Å; R420-D424 PolarHBondContact NH2-OD2 2.91Å; A421-D424 HydrophobicContact CB-CB 3.95Å; A421-D424 WeakPolarHBondContact O-CB 3.45Å; A421-D424 PolarHBondContact O-N 3.41Å; A421-D424 VanDerWaalsContact O-N 3.09Å
425A90.1Very high93.5Very high2 Ų247.2 Ų47.22%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-133158.9-179.500000114Q180 I182 R420Q180-A425 WeakPolarHBondContact O-CA 3.32Å; I182-A425 HydrophobicContact CD1-CB 3.69Å; I182-A425 HydrophobicContact CG1-CB 4.38Å; R420-A425 HydrophobicContact CB-CB 4.45Å; R420-A425 HydrophobicContact CG-CB 4.04Å
426V96.9Very high93.7Very high46 Ų4648.7 Ų48.728%0.27928%0.283SS..EExtended strand (participates in β ladder)trans-120.1127169.9176.10000108.3I179 Q180 T181 I182 F408I179-V426 HydrophobicContact CG2-CG2 3.8Å; Q180-V426 PolarHBondContact O-N 2.89Å; T181-V426 CarbonylContact C-O 3.53Å; T181-V426 VanDerWaalsContact CA-O 3.3Å; T181-V426 WeakPolarHBondContact CA-O 3.43Å; I182-V426 PolarHBondContact N-O 3.4Å; F408-V426 HydrophobicContact CB-CG1 3.77Å; F408-V426 HydrophobicContact CD1-CG1 3.84Å; F408-V426 HydrophobicContact CG-CG1 4.29Å
427H97.1Very high93.9Very high0 Ų043 Ų430%026%0.263CS..EExtended strand (participates in β ladder)trans-99.3105.3-173.7-62-82.6000109.9I182 H184 V409 L414 D415 A418 I429I182-H427 WeakPolarHBondContact CD1-CE1 3.44Å; H184-H427 AromaticContact NE2-CG 3.69Å; H184-H427 AromaticContact NE2-ND1 3.09Å; H184-H427 PolarHBondContact NE2-ND1 3.29Å; V409-H427 HydrophobicContact CB-CB 4.49Å; V409-H427 PolarHBondContact N-O 3.49Å; V409-H427 WeakPolarHBondContact O-CB 3.36Å; V409-H427 PolarHBondContact O-CD2 3.38Å; V409-H427 PolarHBondContact O-N 2.81Å; L414-H427 HydrophobicContact CD1-CB 3.7Å; L414-H427 PolarHBondContact O-CE1 2.89Å; D415-H427 WeakPolarHBondContact CA-NE2 3.44Å; D415-H427 PolarHBondContact N-CE1 2.89Å; D415-H427 PolarHBondContact N-NE2 3.42Å; D415-H427 IonicContact OD1-CD2 3.11Å; D415-H427 IonicContact OD1-CE1 2.68Å; D415-H427 IonicContact OD1-NE2 2.68Å; D415-H427 PolarHBondContact OD1-NE2 3.4Å; D415-H427 IonicContact OD2-NE2 2.9Å; A418-H427 VanDerWaalsContact CB-CE1 3.41Å; A418-H427 WeakPolarHBondContact CB-CE1 3.5Å; H427-I429 PolarHBondContact O-N 3.46Å
428K98.2Very high94.2Very high49 Ų4940.7 Ų40.721%0.21325%0.251CS..EExtended strand (participates in β ladder)trans-80.6107.5176.2-177.1-173.8178-170.80109.8T181 I182 H184 A406 V407 F408 Y430T181-K428 HydrophobicContact CG2-CB 3.85Å; I182-K428 PolarHBondContact O-N 2.95Å; H184-K428 PolarHBondContact N-O 3.01Å; A406-K428 HydrophobicContact CB-CD 4.36Å; A406-K428 VanDerWaalsContact CB-CE 3.48Å; A406-K428 HydrophobicContact CB-CG 3.91Å; V407-K428 CarbonylContact O-C 3.52Å; V407-K428 WeakPolarHBondContact O-CA 3.44Å; F408-K428 HydrophobicContact CD1-CB 4Å; F408-K428 HydrophobicContact CD1-CG 4.23Å; F408-K428 HydrophobicContact CE1-CB 3.88Å; F408-K428 HydrophobicContact CE1-CD 4Å; F408-K428 HydrophobicContact CE1-CG 3.78Å; F408-K428 HydrophobicContact CZ-CD 4.17Å; F408-K428 HydrophobicContact CZ-CG 4.1Å; K428-Y430 HydrophobicContact CD-CE2 3.89Å; K428-Y430 HydrophobicContact CG-CE2 4.21Å; K428-Y430 VanDerWaalsContact NZ-CZ 3.33Å; K428-Y430 PolarHBondContact NZ-OH 2.91Å
429I97.4Very high94.6Very high0 Ų040 Ų400%024%0.241CC..EExtended strand (participates in β ladder)trans-92.1118.7175.5-53.3-179.7000108.3V399 C401 A406 V407 V409 H427 A433 I435 V437V399-I429 HydrophobicContact CB-CD1 4.11Å; V399-I429 HydrophobicContact CG1-CD1 3.94Å; C401-I429 HydrophobicContact CB-CG2 4.19Å; A406-I429 CarbonylContact C-O 3.54Å; A406-I429 VanDerWaalsContact CA-O 3.23Å; A406-I429 WeakPolarHBondContact CA-O 3.15Å; A406-I429 WeakPolarHBondContact CB-O 3.37Å; V407-I429 HydrophobicContact CG2-CB 3.84Å; V407-I429 HydrophobicContact CG2-CD1 4.43Å; V407-I429 HydrophobicContact CG2-CG1 4.48Å; V407-I429 HydrophobicContact CG2-CG2 4.45Å; V407-I429 PolarHBondContact N-O 3.28Å; V407-I429 PolarHBondContact O-N 3.49Å; V409-I429 HydrophobicContact CB-CD1 4.19Å; V409-I429 HydrophobicContact CG2-CD1 3.54Å; V409-I429 HydrophobicContact CG2-CG1 4.25Å; H427-I429 PolarHBondContact O-N 3.46Å; I429-A433 HydrophobicContact CG2-CB 3.81Å; I429-I435 HydrophobicContact CD1-CD1 3.64Å; I429-I435 HydrophobicContact CD1-CG1 3.89Å; I429-I435 HydrophobicContact CG1-CD1 3.72Å; I429-I435 HydrophobicContact CG1-CG1 4.35Å; I429-V437 HydrophobicContact CD1-CG1 4.23Å
430Y98.1Very high94.8Very high61 Ų6138.9 Ų38.924%0.23922%0.219CC..PPolyproline II helixtrans-75.8159.4-178.6-80.7-96.4000112.7Q183 H184 C401 K428 A433Q183-Y430 HydrophobicContact CB-CE2 4.01Å; Q183-Y430 HydrophobicContact CG-CE2 4.27Å; Q183-Y430 PolarHBondContact OE1-OH 3.44Å; H184-Y430 WeakPolarHBondContact O-CD2 3.27Å; H184-Y430 PolarHBondContact O-N 2.92Å; H184-Y430 VanDerWaalsContact O-N 3.1Å; C401-Y430 VanDerWaalsContact CB-O 3.31Å; C401-Y430 WeakPolarHBondContact CB-O 3.46Å; K428-Y430 HydrophobicContact CD-CE2 3.89Å; K428-Y430 HydrophobicContact CG-CE2 4.21Å; K428-Y430 VanDerWaalsContact NZ-CZ 3.33Å; K428-Y430 PolarHBondContact NZ-OH 2.91Å; Y430-A433 WeakPolarHBondContact O-CB 3.32Å; Y430-A433 PolarHBondContact O-N 3.46Å
431P98.3Very high94.9Very high40 Ų4039 Ų3926%0.2622%0.219SC..THydrogen-bonded Turntrans-47.1141.1171-30.637.9000112.8S403 D404 A433S403-P431 WeakPolarHBondContact O-CB 3.39Å; D404-P431 VanDerWaalsContact O-CG 3.26Å; D404-P431 WeakPolarHBondContact O-CG 3.44Å; P431-A433 PolarHBondContact O-N 2.75Å
432S95Very high95.4Very high95 Ų9537.7 Ų37.766%0.66421%0.205SC*.THydrogen-bonded Turntrans61.8-3.5-175.6-55.60000116.3C401C401-S432 VanDerWaalsContact O-CA 3.29Å; C401-S432 WeakPolarHBondContact O-CA 3.37Å; C401-S432 PolarHBondContact O-N 3.48Å
433A96.3Very high95.8Very high0 Ų034.9 Ų34.90%019%0.187CC..  trans-68.6147.3175.200000111.1P186 R400 C401 I429 Y430 P431P186-A433 HydrophobicContact CB-CB 4.28Å; R400-A433 WeakPolarHBondContact CA-O 3.32Å; C401-A433 PolarHBondContact N-O 2.95Å; I429-A433 HydrophobicContact CG2-CB 3.81Å; Y430-A433 WeakPolarHBondContact O-CB 3.32Å; Y430-A433 PolarHBondContact O-N 3.46Å; P431-A433 PolarHBondContact O-N 2.75Å
434Y98.1Very high96.2Very high54 Ų5436.8 Ų36.821%0.21219%0.188CC..EExtended strand (participates in β ladder)trans-138108-178.7176.5-113.3000109.3E390 K392 W398 V399 R400E390-Y434 VanDerWaalsContact CD-OH 3.24Å; E390-Y434 PolarHBondContact OE1-OH 3.07Å; E390-Y434 VanDerWaalsContact OE2-CE2 3.26Å; E390-Y434 WeakPolarHBondContact OE2-CE2 3.31Å; E390-Y434 VanDerWaalsContact OE2-CZ 3.27Å; E390-Y434 PolarHBondContact OE2-OH 2.96Å; K392-Y434 WeakPolarHBondContact CE-OH 3.5Å; K392-Y434 PolarHBondContact NZ-OH 3.18Å; W398-Y434 HydrophobicContact CB-CE2 3.77Å; W398-Y434 HydrophobicContact CD2-CE1 4.28Å; W398-Y434 AromaticContact CE3-CD1 3.96Å; W398-Y434 HydrophobicContact CE3-CD1 3.96Å; W398-Y434 AromaticContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE2 4.18Å; W398-Y434 HydrophobicContact CE3-CG 4.45Å; W398-Y434 AromaticContact CE3-CZ 3.69Å; W398-Y434 HydrophobicContact CG-CE2 4.43Å; W398-Y434 HydrophobicContact CZ3-CD1 4.22Å; W398-Y434 AromaticContact CZ3-CE1 3.94Å; W398-Y434 HydrophobicContact CZ3-CE1 3.94Å; V399-Y434 WeakPolarHBondContact O-CA 3.33Å; R400-Y434 HydrophobicContact CB-CD2 3.79Å; R400-Y434 HydrophobicContact CB-CE2 4.47Å; R400-Y434 HydrophobicContact CG-CD2 4.3Å
435I97.8Very high96.4Very high21 Ų2143.1 Ų43.111%0.10821%0.211CC..EExtended strand (participates in β ladder)trans-135152.4-172.368.7169.1000111.7H184 W398 V399 L414 I429 V437H184-I435 HydrophobicContact CB-CD1 4.05Å; W398-I435 CarbonylContact C-O 3.56Å; W398-I435 VanDerWaalsContact CA-O 3.32Å; W398-I435 WeakPolarHBondContact CA-O 3.37Å; V399-I435 PolarHBondContact N-O 3.2Å; V399-I435 PolarHBondContact O-N 3.49Å; V399-I435 VanDerWaalsContact O-N 3.07Å; L414-I435 HydrophobicContact CD1-CD1 4.09Å; L414-I435 HydrophobicContact CD2-CD1 4.34Å; I429-I435 HydrophobicContact CD1-CD1 3.64Å; I429-I435 HydrophobicContact CD1-CG1 3.89Å; I429-I435 HydrophobicContact CG1-CD1 3.72Å; I429-I435 HydrophobicContact CG1-CG1 4.35Å; I435-V437 HydrophobicContact CD1-CG1 4.26Å; I435-V437 HydrophobicContact CG1-CG1 3.95Å
436K98.4Very high96.5Very high33 Ų3346.7 Ų46.714%0.14323%0.227CC..EExtended strand (participates in β ladder)trans-73131.9168-170.7170.4176.1173.50108.5D396 W398 Y413 L414 F438 D439D396-K436 VanDerWaalsContact CG-NZ 3.27Å; D396-K436 IonicContact OD1-NZ 2.97Å; D396-K436 WeakPolarHBondContact OD2-CE 3.36Å; D396-K436 IonicContact OD2-NZ 3.76Å; D396-K436 PolarHBondContact OD2-NZ 2.65Å; W398-K436 HydrophobicContact CD2-CB 3.91Å; W398-K436 HydrophobicContact CD2-CG 4.47Å; W398-K436 HydrophobicContact CE3-CB 4.13Å; W398-K436 VanDerWaalsContact CE3-N 3.27Å; W398-K436 HydrophobicContact CH2-CB 3.97Å; W398-K436 HydrophobicContact CZ2-CB 3.75Å; W398-K436 HydrophobicContact CZ2-CD 4.08Å; W398-K436 HydrophobicContact CZ2-CG 4.22Å; W398-K436 HydrophobicContact CZ3-CB 4.16Å; Y413-K436 HydrophobicContact CE1-CB 4.14Å; Y413-K436 HydrophobicContact CE1-CD 4.4Å; Y413-K436 HydrophobicContact CE1-CG 3.98Å; Y413-K436 WeakPolarHBondContact CE1-O 3.43Å; L414-K436 WeakPolarHBondContact CD2-O 3.24Å; K436-F438 WeakPolarHBondContact CE-O 3.34Å; K436-D439 IonicContact NZ-OD2 2.79Å; K436-D439 PolarHBondContact NZ-OD2 3.12Å
437V98.4Very high96.3Very high14 Ų1450 Ų509%0.08524%0.241CC..EExtended strand (participates in β ladder)trans-118.9-8.7179-54.80000113.2V397 V399 S411 L414 I429 I435V397-V437 HydrophobicContact CB-CG2 4.23Å; V397-V437 HydrophobicContact CG1-CG2 4.17Å; V397-V437 PolarHBondContact O-N 3.45Å; V399-V437 HydrophobicContact CB-CG1 3.91Å; V399-V437 HydrophobicContact CG2-CB 4.22Å; V399-V437 HydrophobicContact CG2-CG1 3.53Å; V399-V437 HydrophobicContact CG2-CG2 3.64Å; S411-V437 WeakPolarHBondContact CB-O 3.34Å; S411-V437 PolarHBondContact OG-O 3.37Å; L414-V437 HydrophobicContact CD1-CB 4.41Å; L414-V437 HydrophobicContact CD1-CG1 4.16Å; I429-V437 HydrophobicContact CD1-CG1 4.23Å; I435-V437 HydrophobicContact CD1-CG1 4.26Å; I435-V437 HydrophobicContact CG1-CG1 3.95Å
438F98.6Very high96.2Very high67 Ų6755.2 Ų55.229%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-151.6142.5177.6178.8-95.6000110.7G395 V397 K436 L440 C443G395-F438 VanDerWaalsContact O-CD1 3.27Å; G395-F438 WeakPolarHBondContact O-CD1 3.38Å; G395-F438 WeakPolarHBondContact O-CE1 3.29Å; V397-F438 HydrophobicContact CB-CB 3.95Å; V397-F438 HydrophobicContact CG2-CB 4.17Å; V397-F438 HydrophobicContact CG2-CD1 4.12Å; V397-F438 HydrophobicContact CG2-CG 4.47Å; V397-F438 PolarHBondContact N-O 3.24Å; V397-F438 PolarHBondContact O-N 3.24Å; K436-F438 WeakPolarHBondContact CE-O 3.34Å; F438-L440 HydrophobicContact CE1-CB 3.97Å; F438-L440 HydrophobicContact CE1-CD1 3.81Å; F438-L440 HydrophobicContact CZ-CD1 4.03Å; F438-C443 HydrophobicContact CE1-CB 4.49Å; F438-C443 HydrophobicContact CE2-CB 3.66Å; F438-C443 HydrophobicContact CZ-CB 3.54Å
439D97.4Very high95.9Very high30 Ų3058.6 Ų58.616%0.1628%0.282CS..  trans-125.8117.9175.5-176.4-69.3000109.5D396 Y413 K436 R441 Q442 C443D396-D439 WeakPolarHBondContact OD1-CA 3.46Å; Y413-D439 HydrophobicContact CD2-CB 3.71Å; Y413-D439 HydrophobicContact CE2-CB 3.83Å; K436-D439 IonicContact NZ-OD2 2.79Å; K436-D439 PolarHBondContact NZ-OD2 3.12Å; D439-R441 VanDerWaalsContact C-N 3.35Å; D439-R441 PolarHBondContact O-N 2.95Å; D439-R441 WeakPolarHBondContact OD1-CA 3.36Å; D439-R441 WeakPolarHBondContact OD1-CB 3.38Å; D439-R441 PolarHBondContact OD1-N 2.81Å; D439-Q442 HydrophobicContact CB-CB 3.79Å; D439-Q442 PolarHBondContact O-N 3.11Å; D439-Q442 WeakPolarHBondContact OD1-CB 3.36Å; D439-Q442 PolarHBondContact OD1-N 2.6Å; D439-C443 WeakPolarHBondContact O-CB 3.3Å; D439-C443 PolarHBondContact O-N 3.22Å
440L96.3Very high95.4Very high49 Ų4964 Ų6426%0.25731%0.307SS..Hα-helixtrans-69.5-33.6-173.2-172.565000112I314 E394 D396 F438 C443 H444I314-L440 HydrophobicContact CD1-CB 3.93Å; I314-L440 HydrophobicContact CD1-CD2 3.65Å; I314-L440 HydrophobicContact CD1-CG 3.51Å; E394-L440 HydrophobicContact CB-CD2 3.87Å; E394-L440 WeakPolarHBondContact O-CD2 3.29Å; D396-L440 PolarHBondContact OD1-N 3.07Å; F438-L440 HydrophobicContact CE1-CB 3.97Å; F438-L440 HydrophobicContact CE1-CD1 3.81Å; F438-L440 HydrophobicContact CZ-CD1 4.03Å; L440-C443 PolarHBondContact O-N 2.78Å; L440-H444 WeakPolarHBondContact O-CB 3.48Å; L440-H444 PolarHBondContact O-N 2.93Å
441R94.3Very high95.1Very high65 Ų6563.5 Ų63.525%0.24532%0.315CS..Hα-helixtrans-73.2-34.1179-66.4-175.3176.7-99.7-20.6112.1P312 I314 E394 D439 R445P312-R441 PolarHBondContact O-NH1 3.18Å; P312-R441 PolarHBondContact O-NH2 3.05Å; I314-R441 HydrophobicContact CD1-CB 4.35Å; I314-R441 HydrophobicContact CD1-CG 3.48Å; I314-R441 VanDerWaalsContact CD1-CG 3.48Å; I314-R441 HydrophobicContact CG1-CG 3.83Å; E394-R441 IonicContact OE2-CZ 3.59Å; E394-R441 IonicContact OE2-NE 3.76Å; E394-R441 IonicContact OE2-NH2 2.66Å; E394-R441 PolarHBondContact OE2-NH2 3.09Å; D439-R441 VanDerWaalsContact C-N 3.35Å; D439-R441 PolarHBondContact O-N 2.95Å; D439-R441 WeakPolarHBondContact OD1-CA 3.36Å; D439-R441 WeakPolarHBondContact OD1-CB 3.38Å; D439-R441 PolarHBondContact OD1-N 2.81Å; R441-R445 WeakPolarHBondContact O-CG 3.5Å; R441-R445 PolarHBondContact O-N 3.09Å; R441-R445 PolarHBondContact O-NE 2.86Å
442Q94.3Very high94.9Very high21 Ų2164 Ų6410%0.09832%0.323CS..Hα-helixtrans-69.6-46.7172.8-161.6-166.992.200110E417 D439 R445 Q446E417-Q442 PolarHBondContact OE1-NE2 3.44Å; D439-Q442 HydrophobicContact CB-CB 3.79Å; D439-Q442 PolarHBondContact O-N 3.11Å; D439-Q442 WeakPolarHBondContact OD1-CB 3.36Å; D439-Q442 PolarHBondContact OD1-N 2.6Å; Q442-R445 PolarHBondContact O-N 2.96Å; Q442-Q446 WeakPolarHBondContact O-CB 3.47Å; Q442-Q446 PolarHBondContact O-N 3.21Å
443C95.1Very high94.6Very high39 Ų3963 Ų6326%0.26431%0.313SS..Hα-helixtrans-57.4-50.4175.6-172.80000111.7F438 D439 L440 R445 Q446 M447F438-C443 HydrophobicContact CE1-CB 4.49Å; F438-C443 HydrophobicContact CE2-CB 3.66Å; F438-C443 HydrophobicContact CZ-CB 3.54Å; D439-C443 WeakPolarHBondContact O-CB 3.3Å; D439-C443 PolarHBondContact O-N 3.22Å; L440-C443 PolarHBondContact O-N 2.78Å; C443-R445 PolarHBondContact O-N 2.52Å; C443-Q446 WeakPolarHBondContact O-CB 3.48Å; C443-Q446 PolarHBondContact O-N 3.46Å; C443-Q446 VanDerWaalsContact O-N 3.11Å; C443-M447 WeakPolarHBondContact O-CG 3.46Å; C443-M447 PolarHBondContact O-N 2.68Å
444H94.1Very high94.2Very high67 Ų6766 Ų6631%0.3134%0.337SS..Hα-helixtrans-58-47.7179.7-177.8-107.3000112.8I314 L440 Q446 M447 Q448I314-H444 HydrophobicContact CG2-CB 3.98Å; L440-H444 WeakPolarHBondContact O-CB 3.48Å; L440-H444 PolarHBondContact O-N 2.93Å; H444-Q446 VanDerWaalsContact C-N 3.32Å; H444-Q446 PolarHBondContact O-N 2.74Å; H444-M447 PolarHBondContact O-N 2.95Å; H444-Q448 VanDerWaalsContact CE1-CD 3.43Å; H444-Q448 PolarHBondContact CE1-NE2 2.79Å; H444-Q448 WeakPolarHBondContact O-CG 3.43Å; H444-Q448 PolarHBondContact O-N 3.2Å
445R93.9Very high93.9Very high153 Ų15370.1 Ų70.158%0.57736%0.359SS*.Hα-helixtrans-61.3-40.1175.4-74.5179.4-68.8-172.20.7112.1R441 Q442 C443 Q448 Q449R441-R445 WeakPolarHBondContact O-CG 3.5Å; R441-R445 PolarHBondContact O-N 3.09Å; R441-R445 PolarHBondContact O-NE 2.86Å; Q442-R445 PolarHBondContact O-N 2.96Å; C443-R445 PolarHBondContact O-N 2.52Å; R445-Q448 PolarHBondContact O-N 2.95Å; R445-Q449 WeakPolarHBondContact O-CB 3.22Å; R445-Q449 PolarHBondContact O-N 2.71Å
446Q91.8Very high93.4Very high77 Ų7772 Ų7236%0.3638%0.378SS..Hα-helixtrans-65-43.3178-17165.223.800111.6Q442 C443 H444 Q449 Q450Q442-Q446 WeakPolarHBondContact O-CB 3.47Å; Q442-Q446 PolarHBondContact O-N 3.21Å; C443-Q446 WeakPolarHBondContact O-CB 3.48Å; C443-Q446 PolarHBondContact O-N 3.46Å; C443-Q446 VanDerWaalsContact O-N 3.11Å; H444-Q446 VanDerWaalsContact C-N 3.32Å; H444-Q446 PolarHBondContact O-N 2.74Å; Q446-Q449 PolarHBondContact O-N 2.68Å; Q446-Q450 VanDerWaalsContact NE2-NE2 3.17Å; Q446-Q450 WeakPolarHBondContact O-CB 2.85Å; Q446-Q450 WeakPolarHBondContact O-CG 3.13Å; Q446-Q450 PolarHBondContact O-N 3.43Å
447M92.8Very high92.8Very high116 Ų11672.7 Ų72.757%0.57139%0.389SS*.Hα-helixtrans-60.6-46.6175.3-70.9171.571.900111.7C443 H444 Q450 A451C443-M447 WeakPolarHBondContact O-CG 3.46Å; C443-M447 PolarHBondContact O-N 2.68Å; H444-M447 PolarHBondContact O-N 2.95Å; M447-Q450 PolarHBondContact O-N 3.06Å; M447-A451 VanDerWaalsContact O-CB 3.29Å; M447-A451 WeakPolarHBondContact O-CB 3.3Å; M447-A451 PolarHBondContact O-N 3.48Å
448Q95.2Very high92.4Very high109 Ų10974.2 Ų74.251%0.50940%0.403SS..Hα-helixtrans-59.1-47.8176.8-72.1179.4-41.300111.7H444 R445 A451 A452H444-Q448 VanDerWaalsContact CE1-CD 3.43Å; H444-Q448 PolarHBondContact CE1-NE2 2.79Å; H444-Q448 WeakPolarHBondContact O-CG 3.43Å; H444-Q448 PolarHBondContact O-N 3.2Å; R445-Q448 PolarHBondContact O-N 2.95Å; Q448-A451 PolarHBondContact O-N 3.26Å; Q448-A452 WeakPolarHBondContact O-CB 3.44Å; Q448-A452 PolarHBondContact O-N 3.45Å
449Q92.1Very high91.8Very high119 Ų11973.4 Ų73.456%0.55641%0.409SS*.Hα-helixtrans-62.7-44.3178.6-176.560.745.300111.9R445 Q446 T453R445-Q449 WeakPolarHBondContact O-CB 3.22Å; R445-Q449 PolarHBondContact O-N 2.71Å; Q446-Q449 PolarHBondContact O-N 2.68Å; Q449-T453 PolarHBondContact NE2-OG1 3.01Å; Q449-T453 VanDerWaalsContact O-CB 3.3Å; Q449-T453 WeakPolarHBondContact O-CB 3.06Å; Q449-T453 PolarHBondContact O-N 2.9Å; Q449-T453 PolarHBondContact O-OG1 3.44Å
450Q88.4Confident91.1Very high113 Ų11374.9 Ų74.953%0.52843%0.426SS..Hα-helixtrans-66.9-41.8179.7-76177.6-17.800111.9Q446 M447 T453 A454Q446-Q450 VanDerWaalsContact NE2-NE2 3.17Å; Q446-Q450 WeakPolarHBondContact O-CB 2.85Å; Q446-Q450 WeakPolarHBondContact O-CG 3.13Å; Q446-Q450 PolarHBondContact O-N 3.43Å; M447-Q450 PolarHBondContact O-N 3.06Å; Q450-T453 PolarHBondContact O-N 3.42Å; Q450-A454 VanDerWaalsContact O-CB 3.31Å; Q450-A454 WeakPolarHBondContact O-CB 3.34Å; Q450-A454 PolarHBondContact O-N 3.02Å
451A90.7Very high90.6Very high51 Ų5179.1 Ų79.142%0.42144%0.444SS..Hα-helixtrans-61.5-49.5175.600000111.8M447 Q448 T453 A454 Q455M447-A451 VanDerWaalsContact O-CB 3.29Å; M447-A451 WeakPolarHBondContact O-CB 3.3Å; M447-A451 PolarHBondContact O-N 3.48Å; Q448-A451 PolarHBondContact O-N 3.26Å; A451-T453 VanDerWaalsContact C-N 3.33Å; A451-T453 PolarHBondContact O-N 2.97Å; A451-A454 PolarHBondContact O-N 3.46Å; A451-Q455 WeakPolarHBondContact O-CB 3.26Å; A451-Q455 VanDerWaalsContact O-CG 3.32Å; A451-Q455 WeakPolarHBondContact O-CG 3.47Å; A451-Q455 PolarHBondContact O-N 3.02Å
452A93.1Very high89.8Confident50 Ų5077.3 Ų77.341%0.41344%0.443SS..Hα-helixtrans-61.2-40.8177.300000112.3Q448 Q455 A456Q448-A452 WeakPolarHBondContact O-CB 3.44Å; Q448-A452 PolarHBondContact O-N 3.45Å; A452-Q455 PolarHBondContact O-N 3.12Å; A452-A456 WeakPolarHBondContact O-CB 3.34Å; A452-A456 PolarHBondContact O-N 3.49Å
453T88.8Confident89Confident75 Ų7579 Ų7946%0.4646%0.461SS..Hα-helixtrans-66.4-41.5177.7-53.60000111.5Q449 Q450 A451 A456 A457Q449-T453 PolarHBondContact NE2-OG1 3.01Å; Q449-T453 VanDerWaalsContact O-CB 3.3Å; Q449-T453 WeakPolarHBondContact O-CB 3.06Å; Q449-T453 PolarHBondContact O-N 2.9Å; Q449-T453 PolarHBondContact O-OG1 3.44Å; Q450-T453 PolarHBondContact O-N 3.42Å; A451-T453 VanDerWaalsContact C-N 3.33Å; A451-T453 PolarHBondContact O-N 2.97Å; T453-A456 PolarHBondContact O-N 3.18Å; T453-A457 WeakPolarHBondContact O-CB 3.33Å; T453-A457 PolarHBondContact O-N 3.01Å
454A88.4Confident88.1Confident62 Ų6280.7 Ų80.751%0.51248%0.477SS..Hα-helixtrans-66.2-41.2176.600000112.1Q450 A451 A457 A458Q450-A454 VanDerWaalsContact O-CB 3.31Å; Q450-A454 WeakPolarHBondContact O-CB 3.34Å; Q450-A454 PolarHBondContact O-N 3.02Å; A451-A454 PolarHBondContact O-N 3.46Å; A454-A457 PolarHBondContact O-N 2.92Å; A454-A458 WeakPolarHBondContact O-CB 3.5Å; A454-A458 PolarHBondContact O-N 3.33Å
455Q92.1Very high87.3Confident141 Ų14183 Ų8366%0.65950%0.496SS*.Hα-helixtrans-61.9-46.4173.6-74.5172.6-26.200111.6A451 A452 A457 A458 A459A451-Q455 WeakPolarHBondContact O-CB 3.26Å; A451-Q455 VanDerWaalsContact O-CG 3.32Å; A451-Q455 WeakPolarHBondContact O-CG 3.47Å; A451-Q455 PolarHBondContact O-N 3.02Å; A452-Q455 PolarHBondContact O-N 3.12Å; Q455-A457 PolarHBondContact O-N 3.19Å; Q455-A458 PolarHBondContact O-N 2.66Å; Q455-A459 WeakPolarHBondContact O-CB 3.4Å; Q455-A459 PolarHBondContact O-N 3.31Å
456A88.4Confident86.4Confident61 Ų6178.8 Ų78.850%0.50449%0.494SS..Hα-helixtrans-62.3-41.4176.600000112.2A452 T453 A459 A460A452-A456 WeakPolarHBondContact O-CB 3.34Å; A452-A456 PolarHBondContact O-N 3.49Å; T453-A456 PolarHBondContact O-N 3.18Å; A456-A459 PolarHBondContact O-N 2.87Å; A456-A460 WeakPolarHBondContact O-CB 3.48Å; A456-A460 PolarHBondContact O-N 3.08Å
457A85.8Confident84.9Confident47 Ų4777.9 Ų77.939%0.38851%0.505SS..Hα-helixtrans-64-44.2175.700000112.2T453 A454 Q455 A460 Q461T453-A457 WeakPolarHBondContact O-CB 3.33Å; T453-A457 PolarHBondContact O-N 3.01Å; A454-A457 PolarHBondContact O-N 2.92Å; Q455-A457 PolarHBondContact O-N 3.19Å; A457-A460 PolarHBondContact O-N 3.12Å; A457-Q461 WeakPolarHBondContact O-CB 3.41Å; A457-Q461 VanDerWaalsContact O-CG 3.28Å; A457-Q461 WeakPolarHBondContact O-CG 3.47Å; A457-Q461 PolarHBondContact O-N 3.18Å
458A88.7Confident83Confident46 Ų4678.9 Ų78.938%0.3851%0.513SS..Hα-helixtrans-63.3-42.7176.100000112A454 Q455 Q461 A462A454-A458 WeakPolarHBondContact O-CB 3.5Å; A454-A458 PolarHBondContact O-N 3.33Å; Q455-A458 PolarHBondContact O-N 2.66Å; A458-Q461 PolarHBondContact O-N 2.84Å; A458-A462 WeakPolarHBondContact O-CB 3.37Å; A458-A462 PolarHBondContact O-N 3.21Å
459A86.6Confident80.7Confident50 Ų5080.5 Ų80.541%0.41352%0.523SS..Hα-helixtrans-63.9-42175.600000112.3Q455 A456 A462 A463Q455-A459 WeakPolarHBondContact O-CB 3.4Å; Q455-A459 PolarHBondContact O-N 3.31Å; A456-A459 PolarHBondContact O-N 2.87Å; A459-A462 PolarHBondContact O-N 2.92Å; A459-A463 WeakPolarHBondContact O-CB 3.39Å; A459-A463 PolarHBondContact O-N 3.1Å
460A82.9Confident78.5Confident62 Ų6280.9 Ų80.951%0.51254%0.536SS..Hα-helixtrans-63.8-41175.400000112.1A456 A457 A463 A464A456-A460 WeakPolarHBondContact O-CB 3.48Å; A456-A460 PolarHBondContact O-N 3.08Å; A457-A460 PolarHBondContact O-N 3.12Å; A460-A463 PolarHBondContact O-N 2.74Å; A460-A464 WeakPolarHBondContact O-CB 3.02Å; A460-A464 PolarHBondContact O-N 3.18Å
461Q85Confident76.5Confident138 Ų13877.4 Ų77.465%0.64553%0.531SS*.Hα-helixtrans-62.7-43.8173.5-73.7171.7-11.900111.7A457 A458 A464 V465A457-Q461 WeakPolarHBondContact O-CB 3.41Å; A457-Q461 VanDerWaalsContact O-CG 3.28Å; A457-Q461 WeakPolarHBondContact O-CG 3.47Å; A457-Q461 PolarHBondContact O-N 3.18Å; A458-Q461 PolarHBondContact O-N 2.84Å; Q461-A464 PolarHBondContact O-N 2.83Å; Q461-V465 WeakPolarHBondContact O-CG2 3.27Å; Q461-V465 PolarHBondContact O-N 3.02Å; Q461-V465 VanDerWaalsContact O-N 3.09Å
462A78.6Confident74.3Confident26 Ų2682.1 Ų82.122%0.21556%0.557CS.*Hα-helixtrans-62-43.9175.800000112.2A458 A459 V465 A466 L484A458-A462 WeakPolarHBondContact O-CB 3.37Å; A458-A462 PolarHBondContact O-N 3.21Å; A459-A462 PolarHBondContact O-N 2.92Å; A462-V465 PolarHBondContact O-N 3.36Å; A462-A466 WeakPolarHBondContact O-CB 3.14Å; A462-A466 PolarHBondContact O-N 3.2Å; A462-L484 HydrophobicContact CB-CD1 4.31Å; A462-L484 WeakPolarHBondContact O-CD1 3.36Å
463A77Confident72.3Confident57 Ų5782.9 Ų82.947%0.47157%0.57SS.*Hα-helixtrans-64.8-39.9177.700000112.7A459 A460 A466A459-A463 WeakPolarHBondContact O-CB 3.39Å; A459-A463 PolarHBondContact O-N 3.1Å; A460-A463 PolarHBondContact O-N 2.74Å; A463-A466 PolarHBondContact O-N 3.46Å
464A75.1Confident70.1Confident74 Ų7484.9 Ų84.961%0.61259%0.587SS**Hα-helixtrans-63.1-40.317500000112.1A460 Q461 G467A460-A464 WeakPolarHBondContact O-CB 3.02Å; A460-A464 PolarHBondContact O-N 3.18Å; Q461-A464 PolarHBondContact O-N 2.83Å; A464-G467 PolarHBondContact O-N 2.9Å
465V78.3Confident68Low117 Ų11788.1 Ų88.171%0.70960%0.6SS**Hα-helixtrans-70.7-30.7176173.10000112.3Q461 A462 G467Q461-V465 WeakPolarHBondContact O-CG2 3.27Å; Q461-V465 PolarHBondContact O-N 3.02Å; Q461-V465 VanDerWaalsContact O-N 3.09Å; A462-V465 PolarHBondContact O-N 3.36Å; V465-G467 PolarHBondContact O-N 2.87Å
466A74.2Confident66Low64 Ų6485.7 Ų85.753%0.52961%0.613SS.*THydrogen-bonded Turntrans-70.3-5.1175.800000114.1A462 A463 N468 L484A462-A466 WeakPolarHBondContact O-CB 3.14Å; A462-A466 PolarHBondContact O-N 3.2Å; A463-A466 PolarHBondContact O-N 3.46Å; A466-N468 PolarHBondContact O-N 2.92Å; A466-L484 HydrophobicContact CB-CD1 4.17Å
467G61.2Low63.8Low58 Ų5886 Ų8660%0.59862%0.622SS**THydrogen-bonded Turntrans72.28.1175.600000115A464 V465 I469A464-G467 PolarHBondContact O-N 2.9Å; V465-G467 PolarHBondContact O-N 2.87Å; G467-I469 PolarHBondContact O-N 3.4Å
468N52.5Low61.9Low137 Ų13791.9 Ų91.973%0.73365%0.645SS**  trans-8852.4-169.1-148.858.8000112.7A466 P470A466-N468 PolarHBondContact O-N 2.92Å; N468-P470 WeakPolarHBondContact O-CD 3.31Å
469I47.9Very low60.2Low142 Ų14293.8 Ų93.873%0.72866%0.661SS**  trans-81121.8166.4-59.1178.6000107.5G467 G471G467-I469 PolarHBondContact O-N 3.4Å; I469-G471 PolarHBondContact O-N 3.25Å
470P44.3Very low58.5Low128 Ų12896 Ų9683%0.83167%0.671SS**  trans-71.273.6176.5-17.833.3000112.4N468N468-P470 WeakPolarHBondContact O-CD 3.31Å
471G46.3Very low56.9Low40 Ų4098.4 Ų98.441%0.41269%0.691SS.*  trans-88.9142.5168.800000111.2I469 G473I469-G471 PolarHBondContact O-N 3.25Å; G471-G473 PolarHBondContact O-N 3.19Å
472P45.6Very low55.2Low150 Ų15097.8 Ų97.897%0.97469%0.691SS**THydrogen-bonded Turntrans-74.633.5-172.832-37.7000114.8
473G51Low53.7Low66 Ų66105.6 Ų105.668%0.6872%0.72SS**THydrogen-bonded Turntrans-150.514.5-17400000116G471 V475G471-G473 PolarHBondContact O-N 3.19Å; G473-V475 PolarHBondContact O-N 2.94Å
474S41.9Very low52.4Low116 Ų116107.1 Ų107.181%0.81172%0.719SS**  trans-74.393-179-170.10000112
475V45.5Very low51.3Low130 Ų130111.2 Ų111.279%0.78873%0.731SS**  trans-62.8140.1168.3-72.80000111G473 G477G473-V475 PolarHBondContact O-N 2.94Å; V475-G477 PolarHBondContact O-N 2.95Å
476G50.2Low49.6Very low91 Ų91113.1 Ų113.194%0.93875%0.75SS**  trans-64.399.7-172.900000113.6
477G41.6Very low48.4Very low67 Ų67115.6 Ų115.669%0.69176%0.761SS**  trans-99.5139167.300000111V475 A479V475-G477 PolarHBondContact O-N 2.95Å; G477-A479 PolarHBondContact O-N 3.29Å; G477-A479 VanDerWaalsContact O-N 3.07Å
478I46.6Very low47.7Very low170 Ų170118.6 Ų118.687%0.87277%0.769SS**  trans-62111.2179.5-58.3165.9000108.8
479A53.1Low47.5Very low86 Ų86117.6 Ų117.671%0.71177%0.771SS**  trans-62124.717600000109.8G477G477-A479 PolarHBondContact O-N 3.29Å; G477-A479 VanDerWaalsContact O-N 3.07Å
480P50.5Low47.4Very low98 Ų98116.2 Ų116.264%0.63677%0.774SS**  trans-65.9145174.429.3-34.6000109.4I482P480-I482 HydrophobicContact CB-CD1 4.2Å; P480-I482 HydrophobicContact CB-CG1 4.12Å; P480-I482 HydrophobicContact CG-CD1 3.85Å; P480-I482 HydrophobicContact CG-CG1 4.16Å; P480-I482 PolarHBondContact O-N 3.22Å
481A48Very low47.6Very low111 Ų111115.4 Ų115.492%0.91777%0.77SS**  trans-73.960-177.900000112.8
482I49.7Very low47.7Very low126 Ų126120.5 Ų120.565%0.64679%0.794SS**  trans-94.7107.2177.7-57.8176.6000107.9P480 L484P480-I482 HydrophobicContact CB-CD1 4.2Å; P480-I482 HydrophobicContact CB-CG1 4.12Å; P480-I482 HydrophobicContact CG-CD1 3.85Å; P480-I482 HydrophobicContact CG-CG1 4.16Å; P480-I482 PolarHBondContact O-N 3.22Å; I482-L484 PolarHBondContact O-N 3.17Å
483K47.4Very low47.9Very low190 Ų190118.4 Ų118.483%0.82678%0.781SS**  trans-76.3112.5167.8-68.8-172.3178.3-175.20109
484L48.8Very low47.6Very low89 Ų89122.4 Ų122.447%0.46679%0.789SS.*  trans-83.6121.4162.2-67.7168.9000107.6A462 A466 I482A462-L484 HydrophobicContact CB-CD1 4.31Å; A462-L484 WeakPolarHBondContact O-CD1 3.36Å; A466-L484 HydrophobicContact CB-CD1 4.17Å; I482-L484 PolarHBondContact O-N 3.17Å
485N52.5Low48.1Very low160 Ų160122.9 Ų122.986%0.85679%0.787SS**  trans-89.2111.3167-91.963.9000107.8
486S43.8Very low48.4Very low157 Ų157122.3 Ų122.3100%1.09879%0.787SS**  trans-84.70167.457.10000111.1

Retrieved 486 of 486 residues in 817.5 ms (Link to these results)

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