A0A2K5WPG7_MACFA Loading...

Phospholipase D family member 5

AlphaFold DB , UniProt , Accession A0A2K5WPG7, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene PLD5, Length 474 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
1M57.8Low81.6Confident180 Ų180112.8 Ų112.889%0.88759%0.586SS**  0127.80-114.9-177.117100107.5K5 I9M1-K5 HydrophobicContact CG-CD 4.47Å; M1-I9 HydrophobicContact CE-CD1 4.19Å
2S76.7Confident82.4Confident64 Ų64112.9 Ų112.945%0.44859%0.587SS.*  trans-59137.8178.2166.20000110.1Q4 K5S2-Q4 PolarHBondContact O-N 3.48Å; S2-Q4 PolarHBondContact OG-N 2.94Å; S2-K5 WeakPolarHBondContact O-CB 3.43Å; S2-K5 PolarHBondContact O-N 3.3Å
3Q76.7Confident83.3Confident165 Ų165111 Ų11177%0.77158%0.583SS**Hα-helixtrans-50.5-31.5179.8-154.4175.3-0.500112.2K5 C6 I7Q3-K5 PolarHBondContact O-N 3.19Å; Q3-C6 PolarHBondContact O-N 3Å; Q3-I7 WeakPolarHBondContact O-CG1 3.44Å; Q3-I7 PolarHBondContact O-N 3.43Å
4Q76.8Confident83.9Confident147 Ų147106.6 Ų106.669%0.68757%0.565SS**Hα-helixtrans-61.2-39172.1-82.9175-3600113.8S2 C6 I7 V8S2-Q4 PolarHBondContact O-N 3.48Å; S2-Q4 PolarHBondContact OG-N 2.94Å; Q4-C6 VanDerWaalsContact C-N 3.34Å; Q4-C6 PolarHBondContact O-N 2.7Å; Q4-I7 PolarHBondContact O-N 3.26Å; Q4-V8 VanDerWaalsContact O-CG2 3.27Å; Q4-V8 WeakPolarHBondContact O-CG2 3.39Å; Q4-V8 PolarHBondContact O-N 2.74Å; Q4-V8 VanDerWaalsContact O-N 3.07Å
5K80.7Confident84.4Confident129 Ų129104.9 Ų104.956%0.56156%0.564SS**Hα-helixtrans-66.6-37.2179.6-67.4-172175.6-174.70111.4M1 S2 Q3 V8 I9M1-K5 HydrophobicContact CG-CD 4.47Å; S2-K5 WeakPolarHBondContact O-CB 3.43Å; S2-K5 PolarHBondContact O-N 3.3Å; Q3-K5 PolarHBondContact O-N 3.19Å; K5-V8 PolarHBondContact O-N 2.88Å; K5-I9 WeakPolarHBondContact O-CD1 3.39Å; K5-I9 VanDerWaalsContact O-CG1 3.23Å; K5-I9 WeakPolarHBondContact O-CG1 3.4Å; K5-I9 PolarHBondContact O-N 2.63Å; K5-I9 VanDerWaalsContact O-N 3.08Å
6C83.3Confident84.9Confident69 Ų69107.1 Ų107.147%0.46657%0.567SS.*Hα-helixtrans-66.8-40.2176-65.80000112Q3 Q4 I9 F10Q3-C6 PolarHBondContact O-N 3Å; Q4-C6 VanDerWaalsContact C-N 3.34Å; Q4-C6 PolarHBondContact O-N 2.7Å; C6-I9 PolarHBondContact O-N 3.25Å; C6-F10 WeakPolarHBondContact O-CB 3.11Å; C6-F10 PolarHBondContact O-N 2.82Å
7I86.4Confident85.2Confident111 Ų111103.9 Ų103.957%0.56956%0.56SS**Hα-helixtrans-63.8-43.3177.4-65.9166.1000111Q3 Q4 F10 A11Q3-I7 WeakPolarHBondContact O-CG1 3.44Å; Q3-I7 PolarHBondContact O-N 3.43Å; Q4-I7 PolarHBondContact O-N 3.26Å; I7-F10 PolarHBondContact O-N 2.84Å; I7-A11 WeakPolarHBondContact O-CB 3.24Å; I7-A11 PolarHBondContact O-N 3.44Å
8V88.3Confident85.4Confident86 Ų86103.8 Ų103.852%0.52156%0.558SS.*Hα-helixtrans-64.8-42.4178.3174.70000111.7Q4 K5 A11 L12Q4-V8 VanDerWaalsContact O-CG2 3.27Å; Q4-V8 WeakPolarHBondContact O-CG2 3.39Å; Q4-V8 PolarHBondContact O-N 2.74Å; Q4-V8 VanDerWaalsContact O-N 3.07Å; K5-V8 PolarHBondContact O-N 2.88Å; V8-A11 PolarHBondContact O-N 3.2Å; V8-L12 HydrophobicContact CG1-CD1 4.1Å; V8-L12 PolarHBondContact O-N 3.32Å
9I89.6Confident85.3Confident88 Ų88103.6 Ų103.645%0.45156%0.556SS.*Hα-helixtrans-63.6-44.2177.2-68.3166.3000110.4M1 K5 C6 A11 L12 V13M1-I9 HydrophobicContact CE-CD1 4.19Å; K5-I9 WeakPolarHBondContact O-CD1 3.39Å; K5-I9 VanDerWaalsContact O-CG1 3.23Å; K5-I9 WeakPolarHBondContact O-CG1 3.4Å; K5-I9 PolarHBondContact O-N 2.63Å; K5-I9 VanDerWaalsContact O-N 3.08Å; C6-I9 PolarHBondContact O-N 3.25Å; I9-A11 PolarHBondContact O-N 2.84Å; I9-L12 PolarHBondContact O-N 2.96Å; I9-V13 WeakPolarHBondContact O-CG2 3.39Å; I9-V13 PolarHBondContact O-N 2.67Å
10F90.5Very high85.2Confident151 Ų151100.6 Ų100.666%0.66254%0.541SS*.Hα-helixtrans-62.5-44178.3-170.7-96.2000112C6 I7 L12 V13 C14C6-F10 WeakPolarHBondContact O-CB 3.11Å; C6-F10 PolarHBondContact O-N 2.82Å; I7-F10 PolarHBondContact O-N 2.84Å; F10-L12 VanDerWaalsContact C-N 3.35Å; F10-L12 PolarHBondContact O-N 3.49Å; F10-V13 PolarHBondContact O-N 2.95Å; F10-C14 PolarHBondContact O-N 3.47Å; F10-C14 PolarHBondContact O-SG 3.05Å
11A90.4Very high84.7Confident51 Ų5198.2 Ų98.242%0.42154%0.535SS..Hα-helixtrans-61.4-41175.900000112.4I7 V8 I9 C14 C15I7-A11 WeakPolarHBondContact O-CB 3.24Å; I7-A11 PolarHBondContact O-N 3.44Å; V8-A11 PolarHBondContact O-N 3.2Å; I9-A11 PolarHBondContact O-N 2.84Å; A11-C14 PolarHBondContact O-N 2.94Å; A11-C15 WeakPolarHBondContact O-CB 3.37Å; A11-C15 PolarHBondContact O-N 3.16Å; A11-C15 PolarHBondContact O-SG 2.87Å; A11-C15 VanDerWaalsContact O-SG 3.34Å
12L92.3Very high85.6Confident114 Ų11494.9 Ų94.960%0.59752%0.521SS*.Hα-helixtrans-64.2-41.4176-86162.4000112.5V8 I9 F10 C15 F16V8-L12 HydrophobicContact CG1-CD1 4.1Å; V8-L12 PolarHBondContact O-N 3.32Å; I9-L12 PolarHBondContact O-N 2.96Å; F10-L12 VanDerWaalsContact C-N 3.35Å; F10-L12 PolarHBondContact O-N 3.49Å; L12-C15 PolarHBondContact O-N 3.43Å; L12-F16 WeakPolarHBondContact O-CB 3.43Å; L12-F16 PolarHBondContact O-N 3.03Å
13V93.3Very high85.4Confident88 Ų8896.2 Ų96.253%0.53352%0.521SS..Hα-helixtrans-65.4-42.1176.4173.60000110.8I9 F10 F16 A17I9-V13 WeakPolarHBondContact O-CG2 3.39Å; I9-V13 PolarHBondContact O-N 2.67Å; F10-V13 PolarHBondContact O-N 2.95Å; V13-F16 PolarHBondContact O-N 3.1Å; V13-A17 WeakPolarHBondContact O-CB 3.33Å; V13-A17 PolarHBondContact O-N 3.19Å
14C91.6Very high84.7Confident49 Ų4994.6 Ų94.633%0.33151%0.512SS..Hα-helixtrans-63.4-44.6174.4-71.70000112F10 A11 F16 A17 I18F10-C14 PolarHBondContact O-N 3.47Å; F10-C14 PolarHBondContact O-SG 3.05Å; A11-C14 PolarHBondContact O-N 2.94Å; C14-F16 VanDerWaalsContact C-N 3.33Å; C14-F16 PolarHBondContact O-N 3.16Å; C14-A17 PolarHBondContact O-N 3.45Å; C14-I18 WeakPolarHBondContact O-CB 3.34Å; C14-I18 VanDerWaalsContact O-CG1 3.24Å; C14-I18 WeakPolarHBondContact O-CG1 3.25Å; C14-I18 PolarHBondContact O-N 2.76Å
15C91.8Very high83.7Confident82 Ų8291.8 Ų91.855%0.55451%0.509SS*.Hα-helixtrans-61.4-41.8175.2-75.90000111.7A11 L12 I18 L19A11-C15 WeakPolarHBondContact O-CB 3.37Å; A11-C15 PolarHBondContact O-N 3.16Å; A11-C15 PolarHBondContact O-SG 2.87Å; A11-C15 VanDerWaalsContact O-SG 3.34Å; L12-C15 PolarHBondContact O-N 3.43Å; C15-I18 PolarHBondContact O-N 2.87Å; C15-L19 VanDerWaalsContact O-CB 3.24Å; C15-L19 WeakPolarHBondContact O-CB 3.13Å; C15-L19 PolarHBondContact O-N 2.89Å
16F92.8Very high82.5Confident139 Ų13989.5 Ų89.561%0.6151%0.514SS*.Hα-helixtrans-65.2-43.7175.8-175.1-100000111.6L12 V13 C14 I18 L19 V20L12-F16 WeakPolarHBondContact O-CB 3.43Å; L12-F16 PolarHBondContact O-N 3.03Å; V13-F16 PolarHBondContact O-N 3.1Å; C14-F16 VanDerWaalsContact C-N 3.33Å; C14-F16 PolarHBondContact O-N 3.16Å; F16-I18 PolarHBondContact O-N 2.76Å; F16-L19 PolarHBondContact O-N 3.36Å; F16-V20 HydrophobicContact CD1-CG2 3.93Å; F16-V20 HydrophobicContact CE1-CG2 3.58Å; F16-V20 HydrophobicContact CE2-CG2 4.2Å; F16-V20 HydrophobicContact CG-CG2 4.39Å; F16-V20 HydrophobicContact CZ-CG2 3.73Å; F16-V20 WeakPolarHBondContact O-CB 3.37Å; F16-V20 WeakPolarHBondContact O-CG2 3.46Å; F16-V20 PolarHBondContact O-N 3.23Å
17A88.9Confident81Confident54 Ų5489.4 Ų89.445%0.44651%0.511SS..Hα-helixtrans-62.7-40.7176.500000112.1V13 C14 V20 A21V13-A17 WeakPolarHBondContact O-CB 3.33Å; V13-A17 PolarHBondContact O-N 3.19Å; C14-A17 PolarHBondContact O-N 3.45Å; A17-V20 PolarHBondContact O-N 3.24Å; A17-A21 VanDerWaalsContact O-CB 3.23Å; A17-A21 WeakPolarHBondContact O-CB 3.28Å; A17-A21 PolarHBondContact O-N 3.39Å
18I88.6Confident79.1Confident102 Ų10288.9 Ų88.952%0.52351%0.51SS..Hα-helixtrans-65.7-42.5173.7-68164.7000110.2C14 C15 F16 A21 L22C14-I18 WeakPolarHBondContact O-CB 3.34Å; C14-I18 VanDerWaalsContact O-CG1 3.24Å; C14-I18 WeakPolarHBondContact O-CG1 3.25Å; C14-I18 PolarHBondContact O-N 2.76Å; C15-I18 PolarHBondContact O-N 2.87Å; F16-I18 PolarHBondContact O-N 2.76Å; I18-A21 PolarHBondContact O-N 2.89Å; I18-L22 HydrophobicContact CG2-CD1 3.8Å; I18-L22 HydrophobicContact CG2-CG 4.2Å; I18-L22 VanDerWaalsContact O-CB 3.29Å; I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 WeakPolarHBondContact O-CG 3.34Å; I18-L22 PolarHBondContact O-N 3.12Å
19L85.1Confident77Confident100 Ų10090.9 Ų90.952%0.52452%0.516SS..Hα-helixtrans-65.4-41178.9-160.9122.2000111.3C15 F16 L22 I23C15-L19 VanDerWaalsContact O-CB 3.24Å; C15-L19 WeakPolarHBondContact O-CB 3.13Å; C15-L19 PolarHBondContact O-N 2.89Å; F16-L19 PolarHBondContact O-N 3.36Å; L19-L22 PolarHBondContact O-N 3.46Å; L19-I23 HydrophobicContact CD2-CD1 3.65Å; L19-I23 HydrophobicContact CG-CD1 4.35Å; L19-I23 WeakPolarHBondContact O-CB 3.32Å; L19-I23 WeakPolarHBondContact O-CD1 3.39Å; L19-I23 WeakPolarHBondContact O-CG1 3.05Å; L19-I23 PolarHBondContact O-N 3.37Å
20V81.8Confident74.8Confident43 Ų4391.7 Ų91.726%0.26152%0.519SS..Hα-helixtrans-64.6-46.2173.2170.20000110.4F16 A17 L22 I23 F24F16-V20 HydrophobicContact CD1-CG2 3.93Å; F16-V20 HydrophobicContact CE1-CG2 3.58Å; F16-V20 HydrophobicContact CE2-CG2 4.2Å; F16-V20 HydrophobicContact CG-CG2 4.39Å; F16-V20 HydrophobicContact CZ-CG2 3.73Å; F16-V20 WeakPolarHBondContact O-CB 3.37Å; F16-V20 WeakPolarHBondContact O-CG2 3.46Å; F16-V20 PolarHBondContact O-N 3.23Å; A17-V20 PolarHBondContact O-N 3.24Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.86Å; V20-I23 PolarHBondContact O-N 2.96Å; V20-F24 HydrophobicContact CG1-CD2 3.48Å; V20-F24 VanDerWaalsContact CG1-CD2 3.48Å; V20-F24 HydrophobicContact CG1-CE2 3.51Å; V20-F24 WeakPolarHBondContact O-CB 3.4Å; V20-F24 WeakPolarHBondContact O-CD2 3.47Å; V20-F24 PolarHBondContact O-N 3.37Å
21A76.1Confident72.4Confident50 Ų5087.4 Ų87.441%0.41352%0.518SS..Hα-helixtrans-61.9-39.9175.600000111.7A17 I18 F24 S25A17-A21 VanDerWaalsContact O-CB 3.23Å; A17-A21 WeakPolarHBondContact O-CB 3.28Å; A17-A21 PolarHBondContact O-N 3.39Å; I18-A21 PolarHBondContact O-N 2.89Å; A21-F24 PolarHBondContact O-N 3.49Å; A21-S25 WeakPolarHBondContact O-CB 3.2Å; A21-S25 PolarHBondContact O-N 2.98Å; A21-S25 PolarHBondContact O-OG 3.12Å
22L76.9Confident70Confident111 Ų11192.8 Ų92.858%0.58153%0.534SS*.Hα-helixtrans-68.1-37.5174.9-74.7171.9000111.8I18 L19 V20 S25 A26I18-L22 HydrophobicContact CG2-CD1 3.8Å; I18-L22 HydrophobicContact CG2-CG 4.2Å; I18-L22 VanDerWaalsContact O-CB 3.29Å; I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 WeakPolarHBondContact O-CG 3.34Å; I18-L22 PolarHBondContact O-N 3.12Å; L19-L22 PolarHBondContact O-N 3.46Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.86Å; L22-S25 PolarHBondContact O-N 3.19Å; L22-A26 WeakPolarHBondContact O-CB 3.44Å; L22-A26 PolarHBondContact O-N 3.26Å
23I71.1Confident67.7Low91 Ų9193.9 Ų93.947%0.46754%0.541SS..Hα-helixtrans-64.7-47.7173.2-72.3163.9000109.9L19 V20 S25 A26 V27L19-I23 HydrophobicContact CD2-CD1 3.65Å; L19-I23 HydrophobicContact CG-CD1 4.35Å; L19-I23 WeakPolarHBondContact O-CB 3.32Å; L19-I23 WeakPolarHBondContact O-CD1 3.39Å; L19-I23 WeakPolarHBondContact O-CG1 3.05Å; L19-I23 PolarHBondContact O-N 3.37Å; V20-I23 PolarHBondContact O-N 2.96Å; I23-S25 VanDerWaalsContact C-N 3.29Å; I23-S25 PolarHBondContact O-N 3.21Å; I23-A26 PolarHBondContact O-N 3.36Å; I23-V27 WeakPolarHBondContact O-CB 3.41Å; I23-V27 WeakPolarHBondContact O-CG2 3.43Å; I23-V27 PolarHBondContact O-N 3Å
24F61.9Low65.5Low131 Ų13197.8 Ų97.858%0.57555%0.553SS**Hα-helixtrans-68.4-25.9176.2-81.1-70.6000113.2V20 A21V20-F24 HydrophobicContact CG1-CD2 3.48Å; V20-F24 VanDerWaalsContact CG1-CD2 3.48Å; V20-F24 HydrophobicContact CG1-CE2 3.51Å; V20-F24 WeakPolarHBondContact O-CB 3.4Å; V20-F24 WeakPolarHBondContact O-CD2 3.47Å; V20-F24 PolarHBondContact O-N 3.37Å; A21-F24 PolarHBondContact O-N 3.49Å
25S56.4Low63.6Low88 Ų8898.8 Ų98.862%0.61556%0.555SS**Hα-helixtrans-82.2-27.5173.9-54.60000112.3A21 L22 I23A21-S25 WeakPolarHBondContact O-CB 3.2Å; A21-S25 PolarHBondContact O-N 2.98Å; A21-S25 PolarHBondContact O-OG 3.12Å; L22-S25 PolarHBondContact O-N 3.19Å; I23-S25 VanDerWaalsContact C-N 3.29Å; I23-S25 PolarHBondContact O-N 3.21Å
26A55.2Low62.3Low82 Ų8297.2 Ų97.268%0.67855%0.552SS**Hα-helixtrans-84.7-25.2175.400000112.4L22 I23 D28L22-A26 WeakPolarHBondContact O-CB 3.44Å; L22-A26 PolarHBondContact O-N 3.26Å; I23-A26 PolarHBondContact O-N 3.36Å; A26-D28 PolarHBondContact O-N 3.11Å; A26-D28 VanDerWaalsContact O-N 3.08Å
27V52.9Low61.6Low66 Ų6692.9 Ų92.940%0.454%0.535SS..SBendtrans-75.586.2160.1177.20000105.3I23 I29I23-V27 WeakPolarHBondContact O-CB 3.41Å; I23-V27 WeakPolarHBondContact O-CG2 3.43Å; I23-V27 PolarHBondContact O-N 3Å; V27-I29 VanDerWaalsContact C-N 3.34Å; V27-I29 WeakPolarHBondContact O-CG1 3.47Å; V27-I29 PolarHBondContact O-N 3.29Å
28D45.5Very low61.4Low101 Ų10192.5 Ų92.554%0.5453%0.53SS..  trans-47.3102.9168.2-84.7-44.8000108.2A26 M30A26-D28 PolarHBondContact O-N 3.11Å; A26-D28 VanDerWaalsContact O-N 3.08Å; D28-M30 PolarHBondContact O-N 3.44Å
29I43.3Very low61Low127 Ų12792.3 Ų92.365%0.65153%0.526SS*.  trans-76.765.9169.2-51.8-179.1000105.6V27 G31V27-I29 VanDerWaalsContact C-N 3.34Å; V27-I29 WeakPolarHBondContact O-CG1 3.47Å; V27-I29 PolarHBondContact O-N 3.29Å; I29-G31 PolarHBondContact O-N 2.88Å
30M44.8Very low60.9Low105 Ų10597.3 Ų97.352%0.51754%0.544SS..  trans-73.3102.7156.2-73.5-153.273.100106.4D28D28-M30 PolarHBondContact O-N 3.44Å
31G40.2Very low61.2Low62 Ų6299.8 Ų99.864%0.63956%0.556SS**SBendtrans47.6107152.800000117.2I29 D33I29-G31 PolarHBondContact O-N 2.88Å; G31-D33 PolarHBondContact O-N 2.85Å
32E40.3Very low61.9Low164 Ų16498.5 Ų98.577%0.76654%0.544SS*.  trans-12.6118.7158.8-69.8164.7152.200116.1E34E32-E34 HydrophobicContact CB-CG 4.33Å; E32-E34 PolarHBondContact O-N 3.45Å
33D44.2Very low62.7Low136 Ų13697 Ų9773%0.72753%0.534SS*.  trans-68.367165.1-70.4-49.7000110.3G31 D35G31-D33 PolarHBondContact O-N 2.85Å; D33-D35 VanDerWaalsContact C-N 3.33Å; D33-D35 PolarHBondContact O-N 3.02Å
34E45.7Very low63.8Low170 Ų17096.2 Ų96.279%0.79453%0.531SS*.THydrogen-bonded Turntrans-77.6-9.4178.8-90.4-152150.800114.7E32E32-E34 HydrophobicContact CB-CG 4.33Å; E32-E34 PolarHBondContact O-N 3.45Å
35D53Low65.4Low71 Ų7196.5 Ų96.538%0.3853%0.531SS..THydrogen-bonded Turntrans-98.1-0.2179-77-53.9000114.5D33 L37 K83 K166D33-D35 VanDerWaalsContact C-N 3.33Å; D33-D35 PolarHBondContact O-N 3.02Å; D35-L37 PolarHBondContact O-N 3.4Å; D35-K83 IonicContact OD1-NZ 3.52Å; D35-K83 PolarHBondContact OD1-NZ 3.49Å; D35-K166 HydrophobicContact CB-CD 3.91Å; D35-K166 VanDerWaalsContact OD2-CD 3.24Å; D35-K166 WeakPolarHBondContact OD2-CD 3.25Å; D35-K166 WeakPolarHBondContact OD2-CE 2.98Å; D35-K166 IonicContact OD2-NZ 3.44Å; D35-K166 PolarHBondContact OD2-NZ 2.85Å
36G63.8Low67.3Low48 Ų4892.7 Ų92.750%0.49551%0.505SS..  trans57.511.6172.100000116S38 N41G36-S38 PolarHBondContact O-N 2.98Å; G36-N41 PolarHBondContact O-ND2 3.42Å
37L78.7Confident69.3Low48 Ų4895.2 Ų95.225%0.25150%0.497SS..  trans-73.8128.1-176-168.667.9000109.7D35 C42 K166 L199D35-L37 PolarHBondContact O-N 3.4Å; L37-C42 HydrophobicContact CD1-CB 4.07Å; L37-K166 HydrophobicContact CD2-CB 4.39Å; L37-L199 HydrophobicContact CB-CD2 3.97Å; L37-L199 HydrophobicContact CD2-CD1 4.37Å; L37-L199 HydrophobicContact CD2-CD2 3.59Å; L37-L199 HydrophobicContact CD2-CG 3.57Å; L37-L199 HydrophobicContact CG-CD1 3.96Å; L37-L199 HydrophobicContact CG-CD2 3.53Å; L37-L199 HydrophobicContact CG-CG 3.64Å
38S83.2Confident71.4Confident47 Ų4792.3 Ų92.333%0.32948%0.479SS..  trans-145.7166.2-173.772.80000110.1G36 K40 N41 C42 L199G36-S38 PolarHBondContact O-N 2.98Å; S38-K40 PolarHBondContact O-N 2.03Å; S38-K40 PolarHBondContact OG-N 3.32Å; S38-N41 WeakPolarHBondContact CA-OD1 3.42Å; S38-N41 PolarHBondContact N-OD1 3.14Å; S38-N41 PolarHBondContact O-N 2.97Å; S38-N41 PolarHBondContact O-OD1 2.84Å; S38-N41 PolarHBondContact OG-OD1 2.85Å; S38-C42 WeakPolarHBondContact O-CB 3.31Å; S38-C42 PolarHBondContact O-N 2.86Å; S38-L199 VanDerWaalsContact C-CD1 3.42Å; S38-L199 WeakPolarHBondContact O-CD1 3.02Å
39E81.8Confident73.9Confident97 Ų9788.3 Ų88.345%0.45346%0.46SS..THydrogen-bonded Turntrans-56.4-20175.4-65.4177.9-137.100113.2R203 V228 K233E39-R203 IonicContact OE1-NH2 2.67Å; E39-V228 HydrophobicContact CG-CG1 3.77Å; E39-K233 IonicContact OE2-NZ 2.63Å
40K82.2Confident76.5Confident206 Ų20682.4 Ų82.490%0.89643%0.43SS*.THydrogen-bonded Turntrans-89.7-23.9-177.5-64.9-176.7179.9179.30114.5S38S38-K40 PolarHBondContact O-N 2.03Å; S38-K40 PolarHBondContact OG-N 3.32Å
41N87.9Confident79.1Confident94 Ų9477.4 Ų77.450%0.50341%0.405SS..THydrogen-bonded Turntrans-12414.1-172.567.4-8.6000113.5G36 S38G36-N41 PolarHBondContact O-ND2 3.42Å; S38-N41 WeakPolarHBondContact CA-OD1 3.42Å; S38-N41 PolarHBondContact N-OD1 3.14Å; S38-N41 PolarHBondContact O-N 2.97Å; S38-N41 PolarHBondContact O-OD1 2.84Å; S38-N41 PolarHBondContact OG-OD1 2.85Å
42C92Very high81.8Confident24 Ų2474.7 Ų74.716%0.16238%0.376CS..  trans-83154.8176.771.30000112.4L37 S38 C196 L199L37-C42 HydrophobicContact CD1-CB 4.07Å; S38-C42 WeakPolarHBondContact O-CB 3.31Å; S38-C42 PolarHBondContact O-N 2.86Å; C42-C196 HydrophobicContact CB-CB 3.83Å; C42-C196 WeakPolarHBondContact CB-SG 3.38Å; C42-C196 PolarHBondContact O-SG 2.83Å; C42-C196 WeakPolarHBondContact SG-CA 2.91Å; C42-C196 WeakPolarHBondContact SG-CB 3.46Å; C42-C196 CovalentContact SG-SG 2.03Å; C42-C196 PolarHBondContact SG-SG 2.05Å; C42-L199 HydrophobicContact CB-CD1 3.67Å
43Q92.8Very high84.4Confident80 Ų8067.4 Ų67.437%0.37434%0.342SS..  trans-93.5128.1178.9-177.8171.6-6.800110.5K45 N193 S195 C196Q43-K45 PolarHBondContact NE2-O 3.25Å; Q43-N193 WeakPolarHBondContact CG-O 3.46Å; Q43-S195 PolarHBondContact N-OG 3.33Å; Q43-S195 PolarHBondContact O-N 3.43Å; Q43-C196 VanDerWaalsContact C-SG 3.5Å; Q43-C196 PolarHBondContact O-N 3.38Å; Q43-C196 PolarHBondContact O-SG 2.79Å
44N93.8Very high86.8Confident74 Ų7462.9 Ų62.940%0.39632%0.317SS..  trans-114.13.6177.968.5-9.4000113.4Q236 L237 Q238N44-Q236 PolarHBondContact ND2-O 3.02Å; N44-L237 HydrophobicContact CB-CB 4.16Å; N44-L237 CarbonylContact O-C 3.55Å; N44-L237 VanDerWaalsContact O-CA 3.32Å; N44-L237 WeakPolarHBondContact O-CA 3.48Å; N44-L237 VanDerWaalsContact O-CB 3.25Å; N44-L237 WeakPolarHBondContact O-CB 3.41Å; N44-Q238 PolarHBondContact O-N 2.96Å
45K96.4Very high88.8Confident136 Ų13654.9 Ų54.959%0.59128%0.28SS*.EExtended strand (participates in β ladder)trans-9597.1168.8-69.3-175.3179.51780108.6Q43 Q238Q43-K45 PolarHBondContact NE2-O 3.25Å; K45-Q238 HydrophobicContact CG-CB 4.39Å
46C96.8Very high90.1Very high9 Ų957.5 Ų57.56%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-114.4152.2-171.3-39.20000111.3Y192 C194 Q238 L239 N240C46-Y192 WeakPolarHBondContact CA-O 3.43Å; C46-C194 HydrophobicContact CB-CB 3.53Å; C46-C194 WeakPolarHBondContact CB-SG 3.29Å; C46-C194 WeakPolarHBondContact SG-CA 3.42Å; C46-C194 WeakPolarHBondContact SG-CB 3.45Å; C46-C194 CovalentContact SG-SG 2.05Å; C46-C194 PolarHBondContact SG-SG 3.41Å; C46-Q238 PolarHBondContact N-O 3.16Å; C46-L239 HydrophobicContact CB-CD2 3.8Å; C46-L239 WeakPolarHBondContact O-CA 3.45Å; C46-N240 PolarHBondContact O-N 2.97Å
47R96.9Very high90.8Very high135 Ų13557.3 Ų57.351%0.50929%0.288SS..EExtended strand (participates in β ladder)trans-99.2135.5164.2-173.9-177.470.2124.5-3108.1F191 Y192 N240R47-F191 CarbonylContact O-C 3.6Å; R47-F191 WeakPolarHBondContact O-CA 3.39Å; R47-Y192 HydrophobicContact CB-CD2 4.38Å; R47-Y192 HydrophobicContact CG-CD2 4.48Å; R47-Y192 PolarHBondContact N-O 3.44Å; R47-Y192 PolarHBondContact O-N 2.98Å; R47-N240 WeakPolarHBondContact CA-OD1 3.06Å; R47-N240 VanDerWaalsContact CG-OD1 3.29Å; R47-N240 WeakPolarHBondContact CG-OD1 3.29Å
48I97.5Very high91.1Very high5 Ų555.7 Ų55.73%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-118.6140176-170173.5000110V189 I190 F191 L239 N240 I409 I420I48-V189 HydrophobicContact CD1-CB 4.16Å; I48-V189 HydrophobicContact CD1-CG1 4.15Å; I48-V189 HydrophobicContact CG1-CB 4.25Å; I48-V189 HydrophobicContact CG1-CG1 4.44Å; I48-I190 CarbonylContact C-O 3.48Å; I48-I190 VanDerWaalsContact CA-O 3.3Å; I48-I190 WeakPolarHBondContact CA-O 3.48Å; I48-F191 HydrophobicContact CB-CD1 4.45Å; I48-F191 HydrophobicContact CD1-CD1 4.29Å; I48-F191 HydrophobicContact CD1-CE1 3.65Å; I48-F191 HydrophobicContact CD1-CE2 3.94Å; I48-F191 HydrophobicContact CD1-CZ 3.44Å; I48-F191 VanDerWaalsContact CD1-CZ 3.44Å; I48-F191 HydrophobicContact CG1-CD1 4.37Å; I48-F191 HydrophobicContact CG1-CE1 4.22Å; I48-F191 HydrophobicContact CG1-CE2 4.42Å; I48-F191 HydrophobicContact CG1-CZ 4.24Å; I48-L239 HydrophobicContact CB-CD2 4.23Å; I48-L239 HydrophobicContact CD1-CD1 4.15Å; I48-L239 HydrophobicContact CG2-CB 3.88Å; I48-L239 HydrophobicContact CG2-CD1 4.38Å; I48-L239 HydrophobicContact CG2-CD2 4.38Å; I48-L239 HydrophobicContact CG2-CG 4.45Å; I48-N240 WeakPolarHBondContact CG2-ND2 3.4Å; I48-N240 PolarHBondContact N-OD1 3.43Å; I48-N240 PolarHBondContact O-ND2 3.43Å; I48-N240 PolarHBondContact O-OD1 2.96Å; I48-I409 HydrophobicContact CD1-CD1 3.71Å; I48-I420 HydrophobicContact CD1-CB 4.26Å; I48-I420 HydrophobicContact CD1-CD1 4.28Å; I48-I420 HydrophobicContact CD1-CG1 3.91Å; I48-I420 HydrophobicContact CD1-CG2 4.36Å; I48-I420 HydrophobicContact CG1-CD1 4.43Å; I48-I420 HydrophobicContact CG2-CB 4.44Å
49A97.6Very high91.2Very high17 Ų1759.2 Ų59.214%0.1430%0.295CS..EExtended strand (participates in β ladder)trans-127.5131.3171.300000109.6V189 I190 Y192A49-V189 CarbonylContact O-C 3.49Å; A49-V189 WeakPolarHBondContact O-CA 3.3Å; A49-I190 PolarHBondContact N-O 3.07Å; A49-I190 PolarHBondContact O-N 2.98Å; A49-Y192 HydrophobicContact CB-CE2 4.2Å
50L97.8Very high91.6Very high3 Ų356.1 Ų56.12%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-70.5134.3163.9-164.863.9000108.1H67 L187 G188 V189 I420 Q423 L424 V427L50-H67 HydrophobicContact CB-CB 4.3Å; L50-L187 HydrophobicContact CD1-CD1 4.18Å; L50-L187 HydrophobicContact CD1-CD2 4.07Å; L50-L187 HydrophobicContact CD1-CG 4.11Å; L50-L187 HydrophobicContact CD2-CD1 4.4Å; L50-L187 HydrophobicContact CG-CD1 4.46Å; L50-G188 WeakPolarHBondContact CD1-O 3.27Å; L50-V189 HydrophobicContact CD1-CG1 3.79Å; L50-I420 HydrophobicContact CB-CD1 3.77Å; L50-I420 HydrophobicContact CD1-CD1 4.11Å; L50-I420 HydrophobicContact CG-CD1 4.44Å; L50-Q423 HydrophobicContact CD2-CB 4.31Å; L50-L424 HydrophobicContact CD1-CD1 4.13Å; L50-L424 HydrophobicContact CD2-CD1 4.41Å; L50-V427 HydrophobicContact CD2-CG2 3.74Å
51V98Very high91.8Very high0 Ų050.2 Ų50.20%026%0.263CS..EExtended strand (participates in β ladder)trans-123.3140.7173.8-67.30000109.9L68 L70 Y170 L187 G188 I190V51-L68 VanDerWaalsContact CA-O 3.23Å; V51-L68 WeakPolarHBondContact CA-O 3.4Å; V51-L68 HydrophobicContact CG1-CB 4.04Å; V51-L68 HydrophobicContact CG1-CD2 3.92Å; V51-L68 HydrophobicContact CG1-CG 4.08Å; V51-L70 HydrophobicContact CG2-CD1 3.99Å; V51-Y170 HydrophobicContact CG2-CD2 4.07Å; V51-Y170 HydrophobicContact CG2-CE2 3.8Å; V51-L187 WeakPolarHBondContact O-CA 3.3Å; V51-G188 WeakPolarHBondContact CG2-O 3.3Å; V51-G188 PolarHBondContact N-O 3.39Å; V51-G188 PolarHBondContact O-N 2.91Å; V51-G188 VanDerWaalsContact O-O 3.08Å; V51-I190 HydrophobicContact CG1-CD1 3.68Å; V51-I190 HydrophobicContact CG1-CG1 3.92Å; V51-I190 HydrophobicContact CG2-CD1 4.46Å; V51-I190 HydrophobicContact CG2-CG1 4.15Å
52E97.1Very high91.7Very high5 Ų554.9 Ų54.92%0.02328%0.282CS..EExtended strand (participates in β ladder)trans-145153.7175.966.2179.8146.100111.6I54 H67 L68 S69 L70 K185 E186 R430E52-I54 HydrophobicContact CG-CD1 4.14Å; E52-I54 HydrophobicContact CG-CG1 4.36Å; E52-I54 VanDerWaalsContact OE2-CD1 3.24Å; E52-I54 WeakPolarHBondContact OE2-CD1 3.43Å; E52-H67 HydrophobicContact CG-CB 4.41Å; E52-H67 IonicContact OE1-CD2 2.65Å; E52-L68 PolarHBondContact N-O 3.49Å; E52-L68 VanDerWaalsContact N-O 3.11Å; E52-S69 CarbonylContact O-C 3.55Å; E52-S69 WeakPolarHBondContact O-CA 3.49Å; E52-L70 PolarHBondContact O-N 2.98Å; E52-K185 IonicContact OE2-NZ 3.87Å; E52-K185 PolarHBondContact OE2-NZ 3.42Å; E52-E186 CarbonylContact C-O 3.59Å; E52-E186 WeakPolarHBondContact CA-O 3.44Å; E52-E186 VanDerWaalsContact CB-O 3.3Å; E52-E186 WeakPolarHBondContact CB-O 3.44Å; E52-R430 IonicContact OE1-CZ 3.93Å; E52-R430 IonicContact OE1-NH1 3.73Å; E52-R430 PolarHBondContact OE1-NH1 3.49Å; E52-R430 IonicContact OE1-NH2 3.59Å; E52-R430 PolarHBondContact OE1-NH2 2.9Å; E52-R430 IonicContact OE2-CZ 3.49Å; E52-R430 IonicContact OE2-NH1 3.57Å; E52-R430 PolarHBondContact OE2-NH1 2.69Å; E52-R430 IonicContact OE2-NH2 2.75Å; E52-R430 PolarHBondContact OE2-NH2 3.39Å
53N96.1Very high91.4Very high10 Ų1061.3 Ų61.35%0.05332%0.315CS..EExtended strand (participates in β ladder)trans-100.8132.2162.3-169.947.9000109.6L70 S180 L181 G182 M184 K185 E186N53-L70 HydrophobicContact CB-CB 4.15Å; N53-L70 HydrophobicContact CB-CD2 4.38Å; N53-S180 VanDerWaalsContact CB-O 3.27Å; N53-S180 WeakPolarHBondContact CB-O 3.46Å; N53-S180 PolarHBondContact ND2-O 2.84Å; N53-S180 VanDerWaalsContact ND2-O 3.17Å; N53-L181 VanDerWaalsContact ND2-C 3.29Å; N53-L181 PolarHBondContact ND2-O 2.77Å; N53-L181 PolarHBondContact OD1-O 3.47Å; N53-G182 PolarHBondContact ND2-N 3.07Å; N53-M184 PolarHBondContact ND2-O 2.85Å; N53-K185 WeakPolarHBondContact O-CA 3.35Å; N53-E186 HydrophobicContact CB-CB 4.31Å; N53-E186 PolarHBondContact N-O 3.4Å; N53-E186 PolarHBondContact O-N 3.3Å
54I92.9Very high91.3Very high41 Ų4158.1 Ų58.121%0.2130%0.303CS..  trans-107.7114.4170.8-61-52.6000106.8E52 L58 Y60 F66E52-I54 HydrophobicContact CG-CD1 4.14Å; E52-I54 HydrophobicContact CG-CG1 4.36Å; E52-I54 VanDerWaalsContact OE2-CD1 3.24Å; E52-I54 WeakPolarHBondContact OE2-CD1 3.43Å; I54-L58 HydrophobicContact CG2-CB 3.84Å; I54-L58 HydrophobicContact CG2-CD2 3.95Å; I54-L58 HydrophobicContact CG2-CG 4.37Å; I54-Y60 HydrophobicContact CD1-CE2 3.97Å; I54-Y60 HydrophobicContact CG2-CE2 4.25Å; I54-F66 HydrophobicContact CG1-CE1 4.47Å
55P89.2Confident91.2Very high3 Ų356.5 Ų56.52%0.01930%0.296CS..  trans-54.6146.9179.3-29.536.2000112.9G57 L58 Q183 M184 K185 L356P55-G57 PolarHBondContact O-N 2.93Å; P55-L58 VanDerWaalsContact O-CB 3.28Å; P55-L58 WeakPolarHBondContact O-CB 2.96Å; P55-L58 PolarHBondContact O-N 2.94Å; P55-Q183 WeakPolarHBondContact CB-O 3.33Å; P55-Q183 VanDerWaalsContact CG-O 3.31Å; P55-Q183 WeakPolarHBondContact CG-O 3.17Å; P55-M184 VanDerWaalsContact CG-C 3.5Å; P55-K185 HydrophobicContact CG-CB 3.85Å; P55-K185 VanDerWaalsContact CG-N 3.35Å; P55-L356 HydrophobicContact CG-CD1 4.29Å
56E79.1Confident90.9Very high126 Ų12655.5 Ų55.559%0.58929%0.292SS*.THydrogen-bonded Turntrans-56.6131.4173.5-170.3178-17200111.2L58 G182 R374E56-L58 VanDerWaalsContact C-N 3.34Å; E56-G182 PolarHBondContact N-O 2.9Å; E56-R374 PolarHBondContact O-NH1 2.81Å
57G78.3Confident90.8Very high43 Ų4357.3 Ų57.344%0.44330%0.299SS..THydrogen-bonded Turntrans86.4-4.5-177.200000115P55 N59P55-G57 PolarHBondContact O-N 2.93Å; G57-N59 PolarHBondContact O-N 2.96Å
58L85.8Confident90.8Very high15 Ų1553 Ų538%0.07929%0.286CS..  trans-81.4111.5170.1-160.481.1000110.2I54 P55 E56 Y60 K185 F354 L356 Y436I54-L58 HydrophobicContact CG2-CB 3.84Å; I54-L58 HydrophobicContact CG2-CD2 3.95Å; I54-L58 HydrophobicContact CG2-CG 4.37Å; P55-L58 VanDerWaalsContact O-CB 3.28Å; P55-L58 WeakPolarHBondContact O-CB 2.96Å; P55-L58 PolarHBondContact O-N 2.94Å; E56-L58 VanDerWaalsContact C-N 3.34Å; L58-Y60 HydrophobicContact CD2-CE2 3.53Å; L58-Y60 VanDerWaalsContact CD2-OH 3.27Å; L58-Y60 WeakPolarHBondContact CD2-OH 3.33Å; L58-Y60 HydrophobicContact CG-CE2 4.14Å; L58-K185 HydrophobicContact CD2-CD 4.3Å; L58-F354 HydrophobicContact CD2-CZ 4.48Å; L58-L356 HydrophobicContact CD1-CD2 3.19Å; L58-Y436 HydrophobicContact CD1-CD1 3.94Å; L58-Y436 HydrophobicContact CD1-CD2 3.5Å; L58-Y436 HydrophobicContact CD1-CE1 3.79Å; L58-Y436 HydrophobicContact CD1-CE2 3.33Å; L58-Y436 HydrophobicContact CD1-CG 3.8Å; L58-Y436 VanDerWaalsContact CD1-CZ 3.47Å; L58-Y436 HydrophobicContact CG-CD2 4.15Å; L58-Y436 HydrophobicContact CG-CE2 3.71Å
59N85.8Confident90.7Very high120 Ų12054.3 Ų54.364%0.64230%0.296SS*.  trans-111.5124-175.6-65.2-31.7000110.5G57 Y436G57-N59 PolarHBondContact O-N 2.96Å; N59-Y436 PolarHBondContact N-OH 2.91Å
60Y89Confident90.7Very high33 Ų3353.5 Ų53.513%0.12929%0.289CS..  trans-105.8167.2168.2-61-78.1000110.4I54 L58 A64 F66 R430 D431I54-Y60 HydrophobicContact CD1-CE2 3.97Å; I54-Y60 HydrophobicContact CG2-CE2 4.25Å; L58-Y60 HydrophobicContact CD2-CE2 3.53Å; L58-Y60 VanDerWaalsContact CD2-OH 3.27Å; L58-Y60 WeakPolarHBondContact CD2-OH 3.33Å; L58-Y60 HydrophobicContact CG-CE2 4.14Å; Y60-A64 HydrophobicContact CG-CB 4.42Å; Y60-F66 HydrophobicContact CD2-CE1 4.08Å; Y60-F66 HydrophobicContact CD2-CZ 4.03Å; Y60-F66 HydrophobicContact CG-CZ 4.48Å; Y60-R430 HydrophobicContact CD1-CG 3.66Å; Y60-R430 HydrophobicContact CE1-CG 3.82Å; Y60-R430 HydrophobicContact CG-CG 4.15Å; Y60-D431 PolarHBondContact OH-OD1 3.3Å
61S87.7Confident90.7Very high81 Ų8154.7 Ų54.757%0.56629%0.294SS*.  trans-61152.8171.1570000111.3N63 A64S61-N63 PolarHBondContact O-N 2.88Å; S61-N63 VanDerWaalsContact O-N 3.14Å; S61-A64 WeakPolarHBondContact O-CB 3.45Å; S61-A64 PolarHBondContact O-N 3.04Å
62E84.4Confident90.7Very high192 Ų19259.6 Ų59.690%0.89732%0.317SS*.THydrogen-bonded Turntrans-56.4-32.6177.8-63.2-178.7169.300113.4A64E62-A64 VanDerWaalsContact C-N 3.26Å; E62-A64 PolarHBondContact O-N 2.94Å
63N87.5Confident90.7Very high160 Ų16059.4 Ų59.486%0.85632%0.316SS*.THydrogen-bonded Turntrans-83.12.6178.2-63.7-33.2000114S61S61-N63 PolarHBondContact O-N 2.88Å; S61-N63 VanDerWaalsContact O-N 3.14Å
64A90.2Very high90.8Very high13 Ų1358.9 Ų58.911%0.10731%0.313CS..SBendtrans-69145.9179.300000110.5Y60 S61 E62 F66 R430Y60-A64 HydrophobicContact CG-CB 4.42Å; S61-A64 WeakPolarHBondContact O-CB 3.45Å; S61-A64 PolarHBondContact O-N 3.04Å; E62-A64 VanDerWaalsContact C-N 3.26Å; E62-A64 PolarHBondContact O-N 2.94Å; A64-F66 HydrophobicContact CB-CE2 3.99Å; A64-F66 WeakPolarHBondContact O-CD2 3.2Å; A64-F66 PolarHBondContact O-N 3.13Å; A64-R430 HydrophobicContact CB-CG 3.9Å
65P91.6Very high91.1Very high40 Ų4059 Ų5926%0.2631%0.314SS..  trans-63.5131.8173.326.9-33.4000109.4D426 R430P65-D426 HydrophobicContact CB-CB 4.4Å; P65-D426 HydrophobicContact CG-CB 4.14Å; P65-R430 HydrophobicContact CG-CB 3.9Å; P65-R430 HydrophobicContact CG-CG 4.33Å; P65-R430 WeakPolarHBondContact O-CD 3.22Å; P65-R430 PolarHBondContact O-NH1 2.65Å
66F90.4Very high91.5Very high114 Ų11462.2 Ų62.250%0.533%0.33SS..  trans-126.6141.4171.1-75.4-84.1000109.3I54 Y60 A64I54-F66 HydrophobicContact CG1-CE1 4.47Å; Y60-F66 HydrophobicContact CD2-CE1 4.08Å; Y60-F66 HydrophobicContact CD2-CZ 4.03Å; Y60-F66 HydrophobicContact CG-CZ 4.48Å; A64-F66 HydrophobicContact CB-CE2 3.99Å; A64-F66 WeakPolarHBondContact O-CD2 3.2Å; A64-F66 PolarHBondContact O-N 3.13Å
67H94.6Very high92.4Very high47 Ų4756.2 Ų56.222%0.21830%0.302CS..  trans-116.7176.7-178.7-63-77.3000111.2L50 E52 S69 V427L50-H67 HydrophobicContact CB-CB 4.3Å; E52-H67 HydrophobicContact CG-CB 4.41Å; E52-H67 IonicContact OE1-CD2 2.65Å; H67-S69 PolarHBondContact O-N 3.19Å; H67-V427 WeakPolarHBondContact CD2-CG2 3.31Å; H67-V427 VanDerWaalsContact NE2-CG2 3.3Å; H67-V427 WeakPolarHBondContact NE2-CG2 3.46Å
68L96.2Very high93.4Very high46 Ų4654.1 Ų54.124%0.24128%0.281CS..EExtended strand (participates in β ladder)trans-57.7132.4177.7179.765.1000109.3V51 E52 Q72V51-L68 VanDerWaalsContact CA-O 3.23Å; V51-L68 WeakPolarHBondContact CA-O 3.4Å; V51-L68 HydrophobicContact CG1-CB 4.04Å; V51-L68 HydrophobicContact CG1-CD2 3.92Å; V51-L68 HydrophobicContact CG1-CG 4.08Å; E52-L68 PolarHBondContact N-O 3.49Å; E52-L68 VanDerWaalsContact N-O 3.11Å; L68-Q72 HydrophobicContact CD1-CB 3.74Å; L68-Q72 HydrophobicContact CG-CB 4.41Å
69S96.6Very high93.9Very high31 Ų3157.6 Ų57.622%0.21730%0.3CS..EExtended strand (participates in β ladder)trans-66.7146.9179.677.30000110.6E52 H67 F71 Q72 G73E52-S69 CarbonylContact O-C 3.55Å; E52-S69 WeakPolarHBondContact O-CA 3.49Å; H67-S69 PolarHBondContact O-N 3.19Å; S69-F71 VanDerWaalsContact C-N 3.28Å; S69-F71 PolarHBondContact O-N 2.83Å; S69-Q72 PolarHBondContact O-N 2.8Å; S69-Q72 VanDerWaalsContact O-N 3.14Å; S69-Q72 WeakPolarHBondContact OG-CB 3.47Å; S69-Q72 WeakPolarHBondContact OG-CG 3.49Å; S69-Q72 PolarHBondContact OG-N 3.36Å; S69-G73 PolarHBondContact O-N 3.28Å
70L97.1Very high94.5Very high0 Ų055.6 Ų55.60%029%0.287CS..Hα-helixtrans-53.2-47.2178.6-174.767.7000111.7V51 E52 N53 Q72 G73 W74 Y170 A174 L181 E186V51-L70 HydrophobicContact CG2-CD1 3.99Å; E52-L70 PolarHBondContact O-N 2.98Å; N53-L70 HydrophobicContact CB-CB 4.15Å; N53-L70 HydrophobicContact CB-CD2 4.38Å; L70-Q72 PolarHBondContact O-N 2.95Å; L70-G73 PolarHBondContact O-N 3.48Å; L70-W74 HydrophobicContact CD1-CD2 4.24Å; L70-W74 HydrophobicContact CD1-CH2 4.5Å; L70-W74 HydrophobicContact CD1-CZ2 3.74Å; L70-W74 HydrophobicContact CD2-CH2 3.89Å; L70-W74 HydrophobicContact CD2-CZ2 3.94Å; L70-W74 HydrophobicContact CD2-CZ3 4.29Å; L70-W74 HydrophobicContact CG-CD2 4.11Å; L70-W74 HydrophobicContact CG-CE3 4.37Å; L70-W74 HydrophobicContact CG-CH2 4.22Å; L70-W74 HydrophobicContact CG-CZ2 3.92Å; L70-W74 HydrophobicContact CG-CZ3 4.43Å; L70-W74 PolarHBondContact O-N 3.44Å; L70-Y170 HydrophobicContact CD1-CE2 3.69Å; L70-A174 HydrophobicContact CD1-CB 4.37Å; L70-A174 HydrophobicContact CD2-CB 3.32Å; L70-A174 HydrophobicContact CG-CB 4.45Å; L70-L181 HydrophobicContact CB-CD2 4.4Å; L70-L181 HydrophobicContact CD2-CD2 3.98Å; L70-L181 HydrophobicContact CG-CD2 4.12Å; L70-E186 HydrophobicContact CD2-CB 4.32Å
71F97.4Very high94.9Very high28 Ų2854.5 Ų54.512%0.12329%0.285CS..Hα-helixtrans-57.2-49.5176173.9-108.3000112.6S69 G73 W74 M75 Q103 R106 L181S69-F71 VanDerWaalsContact C-N 3.28Å; S69-F71 PolarHBondContact O-N 2.83Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 2.83Å; F71-W74 PolarHBondContact O-N 3.48Å; F71-M75 VanDerWaalsContact O-CB 3.31Å; F71-M75 WeakPolarHBondContact O-CB 3.49Å; F71-M75 PolarHBondContact O-N 3.14Å; F71-Q103 HydrophobicContact CB-CB 4.41Å; F71-Q103 HydrophobicContact CB-CG 4.39Å; F71-Q103 VanDerWaalsContact CB-OE1 3.29Å; F71-Q103 HydrophobicContact CD1-CG 4.1Å; F71-Q103 HydrophobicContact CD2-CB 3.65Å; F71-Q103 HydrophobicContact CD2-CG 4.09Å; F71-Q103 HydrophobicContact CE1-CG 4.44Å; F71-Q103 HydrophobicContact CE2-CB 4.03Å; F71-Q103 HydrophobicContact CE2-CG 4.44Å; F71-Q103 WeakPolarHBondContact CE2-O 3.4Å; F71-Q103 HydrophobicContact CG-CB 3.94Å; F71-Q103 HydrophobicContact CG-CG 3.91Å; F71-R106 HydrophobicContact CE2-CB 4.16Å; F71-R106 HydrophobicContact CZ-CB 4.13Å; F71-L181 HydrophobicContact CB-CD2 4.01Å
72Q97.8Very high95.3Very high104 Ų10458.9 Ų58.949%0.48629%0.294SS..Hα-helixtrans-65.5-39179.3-73.7174.3-14.400111.5L68 S69 L70 M75 N76L68-Q72 HydrophobicContact CD1-CB 3.74Å; L68-Q72 HydrophobicContact CG-CB 4.41Å; S69-Q72 PolarHBondContact O-N 2.8Å; S69-Q72 VanDerWaalsContact O-N 3.14Å; S69-Q72 WeakPolarHBondContact OG-CB 3.47Å; S69-Q72 WeakPolarHBondContact OG-CG 3.49Å; S69-Q72 PolarHBondContact OG-N 3.36Å; L70-Q72 PolarHBondContact O-N 2.95Å; Q72-M75 PolarHBondContact O-N 3.45Å; Q72-N76 WeakPolarHBondContact O-CB 3.38Å; Q72-N76 PolarHBondContact O-N 2.98Å; Q72-N76 PolarHBondContact O-ND2 3.17Å; Q72-N76 PolarHBondContact O-OD1 3.3Å
73G98.1Very high95.9Very high0 Ų055.7 Ų55.70%028%0.277CS..Hα-helixtrans-58.5-50.7175.700000112.5S69 L70 F71 N76 L77 I190S69-G73 PolarHBondContact O-N 3.28Å; L70-G73 PolarHBondContact O-N 3.48Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 2.83Å; G73-N76 PolarHBondContact O-N 2.89Å; G73-L77 PolarHBondContact O-N 3.37Å; G73-I190 VanDerWaalsContact CA-CD1 3.41Å; G73-I190 WeakPolarHBondContact O-CD1 3.44Å
74W98.3Very high96.3Very high0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-65.6-42.7177.1-69.9-8.8000112.5L70 F71 N76 L77 L78 L107 W162 Y170 A174 G175 L176 L181L70-W74 HydrophobicContact CD1-CD2 4.24Å; L70-W74 HydrophobicContact CD1-CH2 4.5Å; L70-W74 HydrophobicContact CD1-CZ2 3.74Å; L70-W74 HydrophobicContact CD2-CH2 3.89Å; L70-W74 HydrophobicContact CD2-CZ2 3.94Å; L70-W74 HydrophobicContact CD2-CZ3 4.29Å; L70-W74 HydrophobicContact CG-CD2 4.11Å; L70-W74 HydrophobicContact CG-CE3 4.37Å; L70-W74 HydrophobicContact CG-CH2 4.22Å; L70-W74 HydrophobicContact CG-CZ2 3.92Å; L70-W74 HydrophobicContact CG-CZ3 4.43Å; L70-W74 PolarHBondContact O-N 3.44Å; F71-W74 PolarHBondContact O-N 3.48Å; W74-N76 VanDerWaalsContact C-N 3.28Å; W74-N76 PolarHBondContact O-N 2.99Å; W74-L77 WeakPolarHBondContact O-CB 3.42Å; W74-L77 PolarHBondContact O-N 2.99Å; W74-L77 VanDerWaalsContact O-N 3.13Å; W74-L78 WeakPolarHBondContact O-CG 3.34Å; W74-L78 PolarHBondContact O-N 3.16Å; W74-L107 HydrophobicContact CB-CD1 4.04Å; W74-L107 HydrophobicContact CE3-CD2 3.54Å; W74-L107 HydrophobicContact CZ3-CD2 3.96Å; W74-W162 HydrophobicContact CB-CH2 3.71Å; W74-W162 HydrophobicContact CB-CZ2 4.43Å; W74-W162 HydrophobicContact CB-CZ3 3.96Å; W74-W162 AromaticContact CD2-CH2 3.64Å; W74-W162 HydrophobicContact CD2-CH2 3.64Å; W74-W162 AromaticContact CD2-CZ2 3.47Å; W74-W162 HydrophobicContact CD2-CZ2 3.47Å; W74-W162 VanDerWaalsContact CD2-CZ2 3.47Å; W74-W162 AromaticContact CE2-CZ2 3.67Å; W74-W162 AromaticContact CE3-CH2 3.88Å; W74-W162 HydrophobicContact CE3-CH2 3.88Å; W74-W162 AromaticContact CE3-CZ2 3.71Å; W74-W162 HydrophobicContact CE3-CZ2 3.71Å; W74-W162 AromaticContact CG-CH2 3.61Å; W74-W162 HydrophobicContact CG-CH2 3.61Å; W74-W162 AromaticContact CG-CZ2 3.84Å; W74-W162 HydrophobicContact CG-CZ2 3.84Å; W74-W162 HydrophobicContact CG-CZ3 4.08Å; W74-W162 HydrophobicContact CH2-CZ2 4.27Å; W74-W162 HydrophobicContact CZ2-CZ2 4.07Å; W74-W162 HydrophobicContact CZ3-CZ2 4.11Å; W74-Y170 AromaticContact CD1-CD2 3.94Å; W74-Y170 AromaticContact CD1-CG 3.94Å; W74-Y170 AromaticContact CE2-CE1 3.8Å; W74-Y170 AromaticContact CE2-CZ 3.83Å; W74-Y170 HydrophobicContact CZ2-CD1 4.35Å; W74-Y170 AromaticContact CZ2-CE1 3.63Å; W74-Y170 HydrophobicContact CZ2-CE1 3.63Å; W74-Y170 HydrophobicContact CZ2-CE2 4.42Å; W74-Y170 AromaticContact CZ2-CZ 3.67Å; W74-Y170 AromaticContact NE1-CD1 3.37Å; W74-Y170 AromaticContact NE1-CD2 3.32Å; W74-Y170 VanDerWaalsContact NE1-CD2 3.32Å; W74-Y170 AromaticContact NE1-CE1 3.4Å; W74-Y170 AromaticContact NE1-CE2 3.32Å; W74-Y170 VanDerWaalsContact NE1-CE2 3.32Å; W74-Y170 AromaticContact NE1-CG 3.34Å; W74-Y170 VanDerWaalsContact NE1-CG 3.34Å; W74-Y170 AromaticContact NE1-CZ 3.38Å; W74-A174 HydrophobicContact CH2-CB 3.92Å; W74-A174 HydrophobicContact CZ2-CB 3.93Å; W74-G175 WeakPolarHBondContact CH2-O 3.17Å; W74-L176 HydrophobicContact CE3-CD2 4.24Å; W74-L176 HydrophobicContact CH2-CD2 4.33Å; W74-L176 HydrophobicContact CZ3-CD2 3.83Å; W74-L181 HydrophobicContact CE3-CD2 3.81Å; W74-L181 HydrophobicContact CZ3-CD1 4.29Å; W74-L181 HydrophobicContact CZ3-CD2 3.71Å; W74-L181 HydrophobicContact CZ3-CG 4.15Å
75M98.3Very high96.7Very high44 Ų4447.7 Ų47.722%0.21723%0.233CC..Hα-helixtrans-62.8-37.6177.5-164.964.3-173.800111.8F71 Q72 L77 L78 N79 K110F71-M75 VanDerWaalsContact O-CB 3.31Å; F71-M75 WeakPolarHBondContact O-CB 3.49Å; F71-M75 PolarHBondContact O-N 3.14Å; Q72-M75 PolarHBondContact O-N 3.45Å; M75-L77 VanDerWaalsContact C-N 3.35Å; M75-L77 PolarHBondContact O-N 3.33Å; M75-L78 PolarHBondContact O-N 3.2Å; M75-N79 VanDerWaalsContact O-CB 3.28Å; M75-N79 WeakPolarHBondContact O-CB 3.43Å; M75-N79 PolarHBondContact O-N 3.26Å; M75-N79 PolarHBondContact O-ND2 3.04Å; M75-K110 HydrophobicContact CE-CB 3.91Å; M75-K110 HydrophobicContact CE-CD 3.67Å; M75-K110 HydrophobicContact CE-CG 3.67Å; M75-K110 HydrophobicContact SD-CB 3.98Å; M75-K110 HydrophobicContact SD-CD 4.44Å; M75-K110 HydrophobicContact SD-CG 3.81Å
76N97.8Very high97.1Very high69 Ų6946.3 Ų46.337%0.36922%0.223SC..Hα-helixtrans-60.9-43.1173.9-73.1-18.5000111.6Q72 G73 W74 N79 M80Q72-N76 WeakPolarHBondContact O-CB 3.38Å; Q72-N76 PolarHBondContact O-N 2.98Å; Q72-N76 PolarHBondContact O-ND2 3.17Å; Q72-N76 PolarHBondContact O-OD1 3.3Å; G73-N76 PolarHBondContact O-N 2.89Å; W74-N76 VanDerWaalsContact C-N 3.28Å; W74-N76 PolarHBondContact O-N 2.99Å; N76-N79 PolarHBondContact O-N 3.02Å; N76-M80 VanDerWaalsContact O-CG 3.25Å; N76-M80 WeakPolarHBondContact O-CG 3.17Å; N76-M80 PolarHBondContact O-N 3.16Å; N76-M80 VanDerWaalsContact O-N 3.16Å
77L98.2Very high97.4Very high0 Ų040.9 Ų40.90%020%0.2CC..Hα-helixtrans-61.4-49.5175.3-71.9176.6000111.7G73 W74 M75 N79 M80 A81 V164 H168 I190 Y192G73-L77 PolarHBondContact O-N 3.37Å; W74-L77 WeakPolarHBondContact O-CB 3.42Å; W74-L77 PolarHBondContact O-N 2.99Å; W74-L77 VanDerWaalsContact O-N 3.13Å; M75-L77 VanDerWaalsContact C-N 3.35Å; M75-L77 PolarHBondContact O-N 3.33Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 3.02Å; L77-M80 PolarHBondContact O-N 3.09Å; L77-M80 VanDerWaalsContact O-N 3.1Å; L77-A81 PolarHBondContact O-N 3.09Å; L77-V164 HydrophobicContact CB-CG2 4.22Å; L77-H168 HydrophobicContact CD2-CB 3.49Å; L77-H168 VanDerWaalsContact CD2-CB 3.49Å; L77-I190 HydrophobicContact CD1-CD1 4Å; L77-I190 HydrophobicContact CD1-CG1 4.29Å; L77-I190 HydrophobicContact CD1-CG2 4.03Å; L77-I190 HydrophobicContact CD2-CG2 3.75Å; L77-I190 HydrophobicContact CG-CD1 4.26Å; L77-I190 HydrophobicContact CG-CG2 4.06Å; L77-Y192 HydrophobicContact CD2-CD1 4.45Å; L77-Y192 HydrophobicContact CD2-CE1 4.03Å
78L98.2Very high97.6Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-65.9-30.2-179.7-65.3-174.3000113.2W74 M75 M80 V85 L107 K110 L111 L114 W162W74-L78 WeakPolarHBondContact O-CG 3.34Å; W74-L78 PolarHBondContact O-N 3.16Å; M75-L78 PolarHBondContact O-N 3.2Å; L78-M80 VanDerWaalsContact C-N 3.32Å; L78-V85 HydrophobicContact CD2-CG1 3.97Å; L78-V85 HydrophobicContact CD2-CG2 4.3Å; L78-L107 HydrophobicContact CD1-CD1 3.57Å; L78-L107 HydrophobicContact CD1-CG 4.31Å; L78-K110 HydrophobicContact CB-CG 3.79Å; L78-K110 HydrophobicContact CD1-CB 4.27Å; L78-K110 HydrophobicContact CD1-CG 3.81Å; L78-K110 HydrophobicContact CG-CG 4.47Å; L78-K110 WeakPolarHBondContact O-CE 3.45Å; L78-L111 HydrophobicContact CD1-CD2 3.9Å; L78-L111 HydrophobicContact CD1-CG 4.08Å; L78-L111 HydrophobicContact CD2-CD2 3.86Å; L78-L114 HydrophobicContact CB-CD1 3.97Å; L78-L114 HydrophobicContact CD2-CD1 3.85Å; L78-L114 HydrophobicContact CG-CD1 4.35Å; L78-W162 HydrophobicContact CD1-CZ3 4.19Å; L78-W162 HydrophobicContact CD2-CE3 4.34Å; L78-W162 HydrophobicContact CD2-CZ3 3.82Å; L78-W162 HydrophobicContact CG-CZ3 3.93Å
79N97.6Very high97.7Very high88 Ų8836.4 Ų36.447%0.47118%0.178SC..Hα-helixtrans-75-22.8174.8-75.6-25.4000113.1M75 N76 L77 K110M75-N79 VanDerWaalsContact O-CB 3.28Å; M75-N79 WeakPolarHBondContact O-CB 3.43Å; M75-N79 PolarHBondContact O-N 3.26Å; M75-N79 PolarHBondContact O-ND2 3.04Å; N76-N79 PolarHBondContact O-N 3.02Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 3.02Å; N79-K110 WeakPolarHBondContact OD1-CE 3.26Å; N79-K110 PolarHBondContact OD1-NZ 3.23Å
80M96.8Very high97.5Very high77 Ų7735.8 Ų35.838%0.37917%0.173SC..Hα-helixtrans-85-19.1175.6-70.5177.470.100113N76 L77 L78 K82 H168 Y192N76-M80 VanDerWaalsContact O-CG 3.25Å; N76-M80 WeakPolarHBondContact O-CG 3.17Å; N76-M80 PolarHBondContact O-N 3.16Å; N76-M80 VanDerWaalsContact O-N 3.16Å; L77-M80 PolarHBondContact O-N 3.09Å; L77-M80 VanDerWaalsContact O-N 3.1Å; L78-M80 VanDerWaalsContact C-N 3.32Å; M80-K82 PolarHBondContact O-N 3.42Å; M80-H168 WeakPolarHBondContact CE-CE1 3.35Å; M80-Y192 HydrophobicContact CE-CD1 4.48Å; M80-Y192 HydrophobicContact SD-CD1 4.09Å; M80-Y192 HydrophobicContact SD-CE1 4.09Å
81A97.8Very high97.4Very high10 Ų1039.6 Ų39.68%0.08319%0.191CC..  trans-59.7130.5-17700000112.3L77 V85 L114 I119 V164 D165L77-A81 PolarHBondContact O-N 3.09Å; A81-V85 HydrophobicContact CB-CG2 3.65Å; A81-L114 HydrophobicContact CB-CD1 4.44Å; A81-L114 HydrophobicContact CB-CD2 4.5Å; A81-I119 HydrophobicContact CB-CD1 4.44Å; A81-V164 HydrophobicContact CB-CG1 3.65Å; A81-D165 WeakPolarHBondContact CA-OD2 3.35Å
82K96.6Very high97.3Very high173 Ų17338.8 Ų38.875%0.75219%0.187SC*.SBendtrans-128.5-26-179.8-67.2179.1-176.5-179.10113.5M80 D165M80-K82 PolarHBondContact O-N 3.42Å; K82-D165 VanDerWaalsContact N-CG 3.33Å; K82-D165 PolarHBondContact N-OD1 2.81Å; K82-D165 VanDerWaalsContact N-OD1 3.12Å; K82-D165 PolarHBondContact N-OD2 2.86Å
83K96.1Very high97.2Very high125 Ų12536.5 Ų36.554%0.54318%0.178SC..SBendtrans-124.8-54.4-173.7-71-174.7169.2-169.40111.7D35 E120 D165D35-K83 IonicContact OD1-NZ 3.52Å; D35-K83 PolarHBondContact OD1-NZ 3.49Å; K83-E120 PolarHBondContact O-N 2.89Å; K83-D165 WeakPolarHBondContact CA-OD1 3.48Å; K83-D165 PolarHBondContact N-OD1 2.9Å
84S97.5Very high97Very high5 Ų536.5 Ų36.54%0.03518%0.178CC..EExtended strand (participates in β ladder)trans-150150.5-172.1740000114.6E120 V164 D165S84-E120 CarbonylContact C-O 3.56Å; S84-E120 WeakPolarHBondContact CA-O 3.27Å; S84-V164 WeakPolarHBondContact O-CA 3.22Å; S84-D165 PolarHBondContact N-OD1 2.93Å; S84-D165 PolarHBondContact O-N 2.96Å
85V98.5Very high96.7Very high0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-136.3107.9174.3178.60000108.6L78 A81 I87 L114 I119 E120 I121 K122 V164L78-V85 HydrophobicContact CD2-CG1 3.97Å; L78-V85 HydrophobicContact CD2-CG2 4.3Å; A81-V85 HydrophobicContact CB-CG2 3.65Å; V85-I87 HydrophobicContact CG1-CD1 3.76Å; V85-I87 HydrophobicContact CG1-CG1 3.81Å; V85-L114 HydrophobicContact CG2-CD1 4.31Å; V85-I119 HydrophobicContact CG2-CG2 4.15Å; V85-E120 PolarHBondContact N-O 3.45Å; V85-I121 HydrophobicContact CB-CG1 4.34Å; V85-I121 WeakPolarHBondContact O-CA 3.46Å; V85-K122 PolarHBondContact O-N 3.04Å; V85-V164 HydrophobicContact CG1-CG2 4.39Å; V85-V164 HydrophobicContact CG2-CG1 4.31Å; V85-V164 HydrophobicContact CG2-CG2 4.35Å
86D98.5Very high96.3Very high11 Ų1140.9 Ų40.96%0.05920%0.2CC..EExtended strand (participates in β ladder)trans-105.4123.2177.2-54-34.1000109.1K122 W162 I163 F205D86-K122 CarbonylContact C-O 3.46Å; D86-K122 VanDerWaalsContact CA-O 3.29Å; D86-K122 WeakPolarHBondContact CA-O 3.08Å; D86-K122 WeakPolarHBondContact OD1-CB 3.26Å; D86-W162 CarbonylContact O-C 3.53Å; D86-W162 VanDerWaalsContact O-CA 3.31Å; D86-W162 WeakPolarHBondContact O-CA 3.38Å; D86-I163 HydrophobicContact CB-CB 4.2Å; D86-I163 PolarHBondContact N-O 2.89Å; D86-I163 PolarHBondContact O-N 2.84Å; D86-F205 HydrophobicContact CB-CD2 3.98Å; D86-F205 HydrophobicContact CB-CE1 4.26Å; D86-F205 HydrophobicContact CB-CE2 3.66Å; D86-F205 HydrophobicContact CB-CG 4.42Å; D86-F205 HydrophobicContact CB-CZ 3.82Å
87I98.6Very high95.8Very high0 Ų044.1 Ų44.10%022%0.223CC..EExtended strand (participates in β ladder)trans-128.4127.5-175.4-59175.5000110.6V85 W92 L111 K122 L123 V124 W162 L176V85-I87 HydrophobicContact CG1-CD1 3.76Å; V85-I87 HydrophobicContact CG1-CG1 3.81Å; I87-W92 HydrophobicContact CB-CH2 4.09Å; I87-W92 HydrophobicContact CG2-CH2 3.68Å; I87-W92 HydrophobicContact CG2-CZ2 4.2Å; I87-L111 HydrophobicContact CD1-CD2 4.07Å; I87-K122 PolarHBondContact N-O 3.31Å; I87-L123 HydrophobicContact CB-CD2 3.95Å; I87-L123 HydrophobicContact CD1-CD2 4.21Å; I87-L123 HydrophobicContact CG1-CD2 4.32Å; I87-L123 CarbonylContact O-C 3.54Å; I87-L123 WeakPolarHBondContact O-CA 3.2Å; I87-V124 PolarHBondContact O-N 2.9Å; I87-W162 HydrophobicContact CD1-CD2 4Å; I87-W162 HydrophobicContact CD1-CE3 4.01Å; I87-W162 HydrophobicContact CD1-CH2 4.46Å; I87-W162 HydrophobicContact CD1-CZ2 4.48Å; I87-W162 HydrophobicContact CD1-CZ3 4.23Å; I87-W162 HydrophobicContact CG1-CB 4.35Å; I87-W162 HydrophobicContact CG1-CD2 3.93Å; I87-W162 HydrophobicContact CG1-CE3 4.25Å; I87-W162 HydrophobicContact CG1-CG 3.95Å; I87-W162 HydrophobicContact CG2-CD2 4.43Å; I87-W162 HydrophobicContact CG2-CG 4.22Å; I87-L176 HydrophobicContact CD1-CD1 4.22Å; I87-L176 HydrophobicContact CG2-CD1 3.69Å
88V98.2Very high95.3Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-105.7130.2161.8-1700000107.6V124 L157 S160 F161 F205 Y208V88-V124 HydrophobicContact CG1-CB 4.31Å; V88-V124 HydrophobicContact CG1-CG1 4.36Å; V88-V124 HydrophobicContact CG2-CB 4.09Å; V88-V124 HydrophobicContact CG2-CG2 4.45Å; V88-L157 HydrophobicContact CG1-CD1 4.15Å; V88-L157 HydrophobicContact CG1-CD2 3.99Å; V88-L157 HydrophobicContact CG1-CG 4.38Å; V88-S160 WeakPolarHBondContact O-CA 3.22Å; V88-F161 HydrophobicContact CB-CD1 4.1Å; V88-F161 HydrophobicContact CB-CE1 3.88Å; V88-F161 HydrophobicContact CB-CE2 4.49Å; V88-F161 HydrophobicContact CB-CZ 4.1Å; V88-F161 HydrophobicContact CG1-CE1 4.38Å; V88-F161 HydrophobicContact CG2-CD1 4.18Å; V88-F161 HydrophobicContact CG2-CD2 4.31Å; V88-F161 HydrophobicContact CG2-CE1 3.55Å; V88-F161 HydrophobicContact CG2-CE2 3.69Å; V88-F161 HydrophobicContact CG2-CZ 3.27Å; V88-F161 PolarHBondContact N-O 2.8Å; V88-F161 PolarHBondContact O-N 3.23Å; V88-F161 VanDerWaalsContact O-N 3.13Å; V88-F205 HydrophobicContact CG2-CD2 3.57Å; V88-F205 HydrophobicContact CG2-CE2 3.95Å; V88-Y208 HydrophobicContact CG1-CD2 3.94Å; V88-Y208 HydrophobicContact CG1-CE2 4Å; V88-Y208 HydrophobicContact CG2-CD2 4.12Å
89S97Very high94.5Very high0 Ų052 Ų520%027%0.27CS..  trans-146.1144.1177.1-179.80000111.6H91 W92 V124 S159 L176S89-H91 PolarHBondContact OG-N 3.22Å; S89-H91 PolarHBondContact OG-O 3.15Å; S89-W92 PolarHBondContact O-NE1 3.26Å; S89-V124 PolarHBondContact N-O 2.91Å; S89-S159 CarbonylContact C-O 3.53Å; S89-S159 WeakPolarHBondContact CA-O 3.34Å; S89-L176 PolarHBondContact OG-N 2.85Å
90S92.6Very high93.9Very high18 Ų1848.8 Ų48.813%0.12625%0.254CS..SBendtrans-75.3-27.7175.459.80000113.6S159S90-S159 PolarHBondContact N-O 2.84Å
91H94.8Very high93.6Very high79 Ų7945.1 Ų45.137%0.36624%0.237SC..  trans-134152.6-177.4-62.974.3000110.5S89 L176 E177S89-H91 PolarHBondContact OG-N 3.22Å; S89-H91 PolarHBondContact OG-O 3.15Å; H91-L176 CarbonylContact C-O 3.52Å; H91-L176 CarbonylContact O-C 3.56Å; H91-L176 WeakPolarHBondContact O-CB 3.29Å; H91-L176 PolarHBondContact O-N 3.34Å; H91-E177 HydrophobicContact CB-CB 4.05Å; H91-E177 HydrophobicContact CB-CG 4.39Å; H91-E177 IonicContact CD2-OE2 3.77Å; H91-E177 IonicContact CG-OE1 2.92Å; H91-E177 IonicContact CG-OE2 2.86Å
92W96Very high93.4Very high12 Ų1247.3 Ų47.35%0.04525%0.251CS..EExtended strand (participates in β ladder)trans-142.468.9-177.9-65.591.2000110.5I87 S89 L123 S125 S131 L134 L176I87-W92 HydrophobicContact CB-CH2 4.09Å; I87-W92 HydrophobicContact CG2-CH2 3.68Å; I87-W92 HydrophobicContact CG2-CZ2 4.2Å; S89-W92 PolarHBondContact O-NE1 3.26Å; W92-L123 HydrophobicContact CH2-CB 3.82Å; W92-L123 HydrophobicContact CH2-CD1 4.06Å; W92-L123 HydrophobicContact CH2-CD2 3.75Å; W92-L123 HydrophobicContact CH2-CG 4.08Å; W92-L123 HydrophobicContact CZ2-CB 4.15Å; W92-L123 HydrophobicContact CZ3-CD1 3.93Å; W92-L123 HydrophobicContact CZ3-CD2 4.15Å; W92-L123 HydrophobicContact CZ3-CG 4.43Å; W92-S125 VanDerWaalsContact CD1-OG 3.28Å; W92-S125 PolarHBondContact NE1-OG 3.33Å; W92-S131 VanDerWaalsContact CB-OG 3.27Å; W92-S131 WeakPolarHBondContact CB-OG 3.5Å; W92-S131 WeakPolarHBondContact O-CB 3.42Å; W92-S131 PolarHBondContact O-OG 2.86Å; W92-L134 HydrophobicContact CB-CD1 4.15Å; W92-L134 HydrophobicContact CB-CG 3.92Å; W92-L134 HydrophobicContact CD2-CD1 4.12Å; W92-L134 HydrophobicContact CD2-CD2 3.41Å; W92-L134 VanDerWaalsContact CD2-CD2 3.41Å; W92-L134 HydrophobicContact CD2-CG 3.74Å; W92-L134 HydrophobicContact CE3-CD2 3.48Å; W92-L134 VanDerWaalsContact CE3-CD2 3.48Å; W92-L134 HydrophobicContact CE3-CG 4.06Å; W92-L134 HydrophobicContact CG-CD1 3.74Å; W92-L134 HydrophobicContact CG-CD2 3.92Å; W92-L134 HydrophobicContact CG-CG 3.67Å; W92-L134 HydrophobicContact CH2-CD2 4.16Å; W92-L134 HydrophobicContact CZ2-CD2 4.08Å; W92-L134 HydrophobicContact CZ3-CD2 3.85Å; W92-L176 CarbonylContact C-O 3.45Å; W92-L176 VanDerWaalsContact CA-O 3.24Å; W92-L176 WeakPolarHBondContact CA-O 2.82Å; W92-L176 HydrophobicContact CE3-CB 4.3Å; W92-L176 HydrophobicContact CE3-CD1 3.76Å; W92-L176 HydrophobicContact CH2-CD1 3.59Å; W92-L176 HydrophobicContact CZ2-CD1 4.39Å; W92-L176 HydrophobicContact CZ3-CD1 3.24Å
93D94.8Very high93.4Very high55 Ų5542.2 Ų42.229%0.29423%0.229SC..EExtended strand (participates in β ladder)trans-134.869.1-178.2-174.722.2000111.6H96 L176 E177 W178D93-H96 IonicContact OD2-CD2 3.01Å; D93-L176 PolarHBondContact N-O 3.37Å; D93-E177 HydrophobicContact CB-CB 4.19Å; D93-E177 CarbonylContact O-C 3.59Å; D93-E177 VanDerWaalsContact O-CA 3.28Å; D93-E177 WeakPolarHBondContact O-CA 3.28Å; D93-W178 VanDerWaalsContact O-CD1 3.28Å; D93-W178 PolarHBondContact O-N 3.01Å; D93-W178 PolarHBondContact OD2-NE1 2.98Å
94L95.1Very high93.3Very high0 Ų036.2 Ų36.20%020%0.203CC..  trans-90.6-16.5-179.8-65.4177.4000114G104 Q105 L107 F108 L111 V133 L176 L181L94-G104 CarbonylContact O-C 3.6Å; L94-Q105 PolarHBondContact O-N 3.28Å; L94-Q105 VanDerWaalsContact O-N 3.11Å; L94-L107 HydrophobicContact CD1-CD2 4.16Å; L94-L107 HydrophobicContact CD2-CD2 4Å; L94-F108 HydrophobicContact CB-CB 3.82Å; L94-F108 HydrophobicContact CB-CG 4.49Å; L94-F108 HydrophobicContact CD1-CB 4.01Å; L94-L111 HydrophobicContact CD1-CD1 4.14Å; L94-V133 HydrophobicContact CB-CG2 4.25Å; L94-V133 HydrophobicContact CD1-CG1 4.39Å; L94-L176 HydrophobicContact CD1-CD2 3.99Å; L94-L176 HydrophobicContact CD2-CB 4.36Å; L94-L176 HydrophobicContact CD2-CD2 4.04Å; L94-L176 HydrophobicContact CG-CB 4.44Å; L94-L176 HydrophobicContact CG-CD2 4.42Å; L94-L181 HydrophobicContact CD2-CD1 4.24Å
95N91.7Very high93.3Very high80 Ų8039.5 Ų39.543%0.42822%0.218SC..  trans-113.387-173-172.623000110.8Q105 F108 V133N95-Q105 PolarHBondContact OD1-NE2 3.05Å; N95-F108 HydrophobicContact CB-CD1 3.95Å; N95-F108 HydrophobicContact CB-CE1 4.11Å; N95-V133 HydrophobicContact CB-CG2 4.08Å
96H89.7Confident93.2Very high56 Ų5646.1 Ų46.126%0.25924%0.243SC..  trans-126.9151.6-179.5-160.5-67000110.7D93 H98 A101 W178D93-H96 IonicContact OD2-CD2 3.01Å; H96-H98 PolarHBondContact ND1-N 2.86Å; H96-H98 VanDerWaalsContact ND1-N 3.11Å; H96-H98 PolarHBondContact O-N 2.99Å; H96-A101 HydrophobicContact CB-CB 4.01Å; H96-A101 WeakPolarHBondContact O-CB 3.26Å; H96-W178 VanDerWaalsContact CB-CD1 3.42Å; H96-W178 HydrophobicContact CB-CD2 4.39Å; H96-W178 HydrophobicContact CB-CG 3.95Å; H96-W178 AromaticContact CD2-CD1 3.96Å; H96-W178 AromaticContact CD2-CE2 3.96Å; H96-W178 AromaticContact CD2-NE1 3.25Å; H96-W178 PolarHBondContact CD2-NE1 3.28Å; H96-W178 VanDerWaalsContact CD2-NE1 3.25Å; H96-W178 AromaticContact CG-CD1 3.88Å; H96-W178 AromaticContact CG-CE2 3.94Å; H96-W178 AromaticContact CG-NE1 3.45Å
97T88.4Confident93.2Very high137 Ų13745.6 Ų45.684%0.8424%0.24SC*.  trans-80.26178.355.60000114
98H85.9Confident93.1Very high48 Ų4846.4 Ų46.422%0.22224%0.244CC..SBendtrans-73.4141.6-176.3-171.5-91.6000109.6H96 S100 A101 W178 F372H96-H98 PolarHBondContact ND1-N 2.86Å; H96-H98 VanDerWaalsContact ND1-N 3.11Å; H96-H98 PolarHBondContact O-N 2.99Å; H98-S100 PolarHBondContact CE1-OG 3.04Å; H98-S100 PolarHBondContact ND1-N 2.65Å; H98-S100 PolarHBondContact ND1-OG 2.97Å; H98-S100 PolarHBondContact O-N 3.2Å; H98-S100 VanDerWaalsContact O-N 3.14Å; H98-A101 HydrophobicContact CB-CB 4.24Å; H98-A101 WeakPolarHBondContact O-CB 3.43Å; H98-A101 PolarHBondContact O-N 3.21Å; H98-W178 HydrophobicContact CB-CE3 4.34Å; H98-W178 HydrophobicContact CB-CH2 3.92Å; H98-W178 HydrophobicContact CB-CZ2 4.15Å; H98-W178 HydrophobicContact CB-CZ3 4.03Å; H98-W178 AromaticContact CD2-CH2 3.95Å; H98-W178 AromaticContact CE1-CZ3 3.96Å; H98-W178 AromaticContact CG-CH2 3.59Å; H98-W178 AromaticContact CG-CZ3 3.69Å; H98-W178 AromaticContact ND1-CH2 3.7Å; H98-W178 AromaticContact ND1-CZ3 3.37Å; H98-W178 WeakPolarHBondContact ND1-CZ3 3.15Å; H98-F372 AromaticContact CD2-CD2 3.94Å; H98-F372 AromaticContact CD2-CE2 3.85Å
99P83.1Confident93.1Very high119 Ų11951.9 Ų51.977%0.77327%0.269SS*.G310 helixtrans-55-36.2-177.9-28.935.8000114.4A101P99-A101 VanDerWaalsContact C-N 3.26Å; P99-A101 PolarHBondContact O-N 3.42Å
100S84.3Confident93.1Very high19 Ų1953 Ų5313%0.13327%0.274CS..G310 helixtrans-81.42.3177.675.80000114.4H98 C102 W178 Q183H98-S100 PolarHBondContact CE1-OG 3.04Å; H98-S100 PolarHBondContact ND1-N 2.65Å; H98-S100 PolarHBondContact ND1-OG 2.97Å; H98-S100 PolarHBondContact O-N 3.2Å; H98-S100 VanDerWaalsContact O-N 3.14Å; S100-C102 VanDerWaalsContact C-N 3.32Å; S100-W178 VanDerWaalsContact OG-CZ3 3.23Å; S100-W178 WeakPolarHBondContact OG-CZ3 3.38Å; S100-Q183 VanDerWaalsContact CB-NE2 3.33Å; S100-Q183 PolarHBondContact OG-NE2 2.86Å
101A91.3Very high93.3Very high1 Ų152.1 Ų52.11%0.00827%0.268CS..G310 helixtrans-84.4-3.1-177.600000113.8H96 H98 P99 Q103 G104 Q105 W178H96-A101 HydrophobicContact CB-CB 4.01Å; H96-A101 WeakPolarHBondContact O-CB 3.26Å; H98-A101 HydrophobicContact CB-CB 4.24Å; H98-A101 WeakPolarHBondContact O-CB 3.43Å; H98-A101 PolarHBondContact O-N 3.21Å; P99-A101 VanDerWaalsContact C-N 3.26Å; P99-A101 PolarHBondContact O-N 3.42Å; A101-Q103 PolarHBondContact O-N 3.21Å; A101-Q103 VanDerWaalsContact O-N 3.14Å; A101-G104 WeakPolarHBondContact O-CA 3.37Å; A101-G104 PolarHBondContact O-N 3Å; A101-Q105 PolarHBondContact O-N 3.49Å; A101-W178 HydrophobicContact CB-CB 3.78Å; A101-W178 HydrophobicContact CB-CD2 4.12Å; A101-W178 HydrophobicContact CB-CE3 4.24Å; A101-W178 HydrophobicContact CB-CG 3.94Å
102C93.3Very high93.4Very high56 Ų5650.2 Ų50.238%0.37826%0.261SS..Hα-helixtrans-53.5-38.3-177-176.30000113.3S100 Q105 R106S100-C102 VanDerWaalsContact C-N 3.32Å; C102-Q105 PolarHBondContact O-N 3.24Å; C102-R106 WeakPolarHBondContact O-CG 3.23Å; C102-R106 PolarHBondContact O-N 3.14Å
103Q95.2Very high93.5Very high65 Ų6554.1 Ų54.130%0.30428%0.279SS..Hα-helixtrans-66-42176-70.4-173.81.500112.4F71 A101 Q105 L107 L181F71-Q103 HydrophobicContact CB-CB 4.41Å; F71-Q103 HydrophobicContact CB-CG 4.39Å; F71-Q103 VanDerWaalsContact CB-OE1 3.29Å; F71-Q103 HydrophobicContact CD1-CG 4.1Å; F71-Q103 HydrophobicContact CD2-CB 3.65Å; F71-Q103 HydrophobicContact CD2-CG 4.09Å; F71-Q103 HydrophobicContact CE1-CG 4.44Å; F71-Q103 HydrophobicContact CE2-CB 4.03Å; F71-Q103 HydrophobicContact CE2-CG 4.44Å; F71-Q103 WeakPolarHBondContact CE2-O 3.4Å; F71-Q103 HydrophobicContact CG-CB 3.94Å; F71-Q103 HydrophobicContact CG-CG 3.91Å; A101-Q103 PolarHBondContact O-N 3.21Å; A101-Q103 VanDerWaalsContact O-N 3.14Å; Q103-Q105 VanDerWaalsContact C-N 3.34Å; Q103-L107 WeakPolarHBondContact O-CB 3.42Å; Q103-L107 PolarHBondContact O-N 3.41Å; Q103-L107 VanDerWaalsContact O-N 3.09Å; Q103-L181 HydrophobicContact CB-CB 4.18Å; Q103-L181 HydrophobicContact CB-CD1 4.45Å; Q103-L181 PolarHBondContact OE1-O 3.46Å
104G95.9Very high93.6Very high0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-61.1-44.8174.300000111.5L94 A101 R106 L107 F108L94-G104 CarbonylContact O-C 3.6Å; A101-G104 WeakPolarHBondContact O-CA 3.37Å; A101-G104 PolarHBondContact O-N 3Å; G104-R106 PolarHBondContact O-N 3.08Å; G104-L107 WeakPolarHBondContact O-CB 3.22Å; G104-L107 PolarHBondContact O-N 2.78Å; G104-L107 VanDerWaalsContact O-N 3.16Å; G104-F108 PolarHBondContact O-N 2.76Å
105Q96.1Very high93.5Very high73 Ų7352.4 Ų52.434%0.34127%0.271SS..Hα-helixtrans-63.1-44.3-178.6-139.8169.321.500112L94 N95 A101 C102 Q103 L107 F108 E109L94-Q105 PolarHBondContact O-N 3.28Å; L94-Q105 VanDerWaalsContact O-N 3.11Å; N95-Q105 PolarHBondContact OD1-NE2 3.05Å; A101-Q105 PolarHBondContact O-N 3.49Å; C102-Q105 PolarHBondContact O-N 3.24Å; Q103-Q105 VanDerWaalsContact C-N 3.34Å; Q105-L107 VanDerWaalsContact C-N 3.32Å; Q105-L107 PolarHBondContact O-N 3.22Å; Q105-F108 WeakPolarHBondContact O-CB 3.35Å; Q105-F108 PolarHBondContact O-N 3.37Å; Q105-E109 WeakPolarHBondContact O-CG 3.49Å; Q105-E109 PolarHBondContact O-N 2.86Å
106R97Very high93.5Very high140 Ų14053 Ų5353%0.52828%0.281SS..Hα-helixtrans-61.9-38.5174.2-72.4176.3-177.2179.52.9112.8F71 C102 G104 F108 K110F71-R106 HydrophobicContact CE2-CB 4.16Å; F71-R106 HydrophobicContact CZ-CB 4.13Å; C102-R106 WeakPolarHBondContact O-CG 3.23Å; C102-R106 PolarHBondContact O-N 3.14Å; G104-R106 PolarHBondContact O-N 3.08Å; R106-F108 VanDerWaalsContact C-N 3.35Å; R106-K110 WeakPolarHBondContact O-CB 3.24Å; R106-K110 PolarHBondContact O-N 3.08Å
107L97.4Very high93.6Very high0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-66-41.3176.7-169.274.8000111W74 L78 L94 Q103 G104 Q105 K110 L111 W162 L176 L181W74-L107 HydrophobicContact CB-CD1 4.04Å; W74-L107 HydrophobicContact CE3-CD2 3.54Å; W74-L107 HydrophobicContact CZ3-CD2 3.96Å; L78-L107 HydrophobicContact CD1-CD1 3.57Å; L78-L107 HydrophobicContact CD1-CG 4.31Å; L94-L107 HydrophobicContact CD1-CD2 4.16Å; L94-L107 HydrophobicContact CD2-CD2 4Å; Q103-L107 WeakPolarHBondContact O-CB 3.42Å; Q103-L107 PolarHBondContact O-N 3.41Å; Q103-L107 VanDerWaalsContact O-N 3.09Å; G104-L107 WeakPolarHBondContact O-CB 3.22Å; G104-L107 PolarHBondContact O-N 2.78Å; G104-L107 VanDerWaalsContact O-N 3.16Å; Q105-L107 VanDerWaalsContact C-N 3.32Å; Q105-L107 PolarHBondContact O-N 3.22Å; L107-K110 WeakPolarHBondContact O-CB 3.37Å; L107-K110 PolarHBondContact O-N 2.88Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 2.84Å; L107-W162 HydrophobicContact CD1-CH2 4.32Å; L107-W162 HydrophobicContact CD2-CH2 4.15Å; L107-L176 HydrophobicContact CD2-CD2 3.51Å; L107-L181 HydrophobicContact CD2-CD1 4.22Å
108F97.4Very high93.6Very high17 Ų1756.1 Ų56.18%0.07529%0.291CS..Hα-helixtrans-63.4-45.6175.4177-131.2000112.3L94 N95 G104 Q105 R106 K110 L111 L112 V133 A136 L137L94-F108 HydrophobicContact CB-CB 3.82Å; L94-F108 HydrophobicContact CB-CG 4.49Å; L94-F108 HydrophobicContact CD1-CB 4.01Å; N95-F108 HydrophobicContact CB-CD1 3.95Å; N95-F108 HydrophobicContact CB-CE1 4.11Å; G104-F108 PolarHBondContact O-N 2.76Å; Q105-F108 WeakPolarHBondContact O-CB 3.35Å; Q105-F108 PolarHBondContact O-N 3.37Å; R106-F108 VanDerWaalsContact C-N 3.35Å; F108-K110 VanDerWaalsContact C-N 3.28Å; F108-K110 PolarHBondContact O-N 2.84Å; F108-L111 PolarHBondContact O-N 2.76Å; F108-L111 VanDerWaalsContact O-N 3.17Å; F108-L112 HydrophobicContact CD1-CD1 4.18Å; F108-L112 HydrophobicContact CD2-CD1 4.27Å; F108-L112 HydrophobicContact CD2-CG 4.29Å; F108-L112 HydrophobicContact CE1-CD1 3.84Å; F108-L112 HydrophobicContact CE2-CD1 3.93Å; F108-L112 HydrophobicContact CE2-CD2 4.14Å; F108-L112 HydrophobicContact CE2-CG 3.99Å; F108-L112 HydrophobicContact CG-CD1 4.4Å; F108-L112 HydrophobicContact CZ-CD1 3.71Å; F108-L112 HydrophobicContact CZ-CD2 4.33Å; F108-L112 HydrophobicContact CZ-CG 4.24Å; F108-L112 WeakPolarHBondContact O-CG 3.09Å; F108-L112 PolarHBondContact O-N 3Å; F108-V133 HydrophobicContact CD2-CB 4.5Å; F108-V133 HydrophobicContact CD2-CG1 3.71Å; F108-V133 HydrophobicContact CD2-CG2 4.41Å; F108-V133 HydrophobicContact CE2-CB 4.22Å; F108-V133 HydrophobicContact CE2-CG1 3.74Å; F108-V133 HydrophobicContact CE2-CG2 4.31Å; F108-V133 HydrophobicContact CZ-CG2 4.48Å; F108-A136 HydrophobicContact CE2-CB 4.19Å; F108-A136 HydrophobicContact CZ-CB 3.69Å; F108-L137 HydrophobicContact CE2-CD2 4.37Å; F108-L137 HydrophobicContact CE2-CG 4.08Å
109E97.4Very high94.1Very high115 Ų11554.4 Ų54.454%0.53728%0.284SS..Hα-helixtrans-56.9-42.4173.1-73.3169.2-176.900111.7Q105 L112 Q113Q105-E109 WeakPolarHBondContact O-CG 3.49Å; Q105-E109 PolarHBondContact O-N 2.86Å; E109-L112 PolarHBondContact O-N 3.4Å; E109-Q113 WeakPolarHBondContact O-CB 3.38Å; E109-Q113 PolarHBondContact O-N 2.72Å
110K97.9Very high94.8Very high22 Ų2253.3 Ų53.310%0.09627%0.268CS..Hα-helixtrans-62.2-43.5176.3-178.959.6179.5-174.50112M75 L78 N79 R106 L107 F108 L112 Q113 L114M75-K110 HydrophobicContact CE-CB 3.91Å; M75-K110 HydrophobicContact CE-CD 3.67Å; M75-K110 HydrophobicContact CE-CG 3.67Å; M75-K110 HydrophobicContact SD-CB 3.98Å; M75-K110 HydrophobicContact SD-CD 4.44Å; M75-K110 HydrophobicContact SD-CG 3.81Å; L78-K110 HydrophobicContact CB-CG 3.79Å; L78-K110 HydrophobicContact CD1-CB 4.27Å; L78-K110 HydrophobicContact CD1-CG 3.81Å; L78-K110 HydrophobicContact CG-CG 4.47Å; L78-K110 WeakPolarHBondContact O-CE 3.45Å; N79-K110 WeakPolarHBondContact OD1-CE 3.26Å; N79-K110 PolarHBondContact OD1-NZ 3.23Å; R106-K110 WeakPolarHBondContact O-CB 3.24Å; R106-K110 PolarHBondContact O-N 3.08Å; L107-K110 WeakPolarHBondContact O-CB 3.37Å; L107-K110 PolarHBondContact O-N 2.88Å; F108-K110 VanDerWaalsContact C-N 3.28Å; F108-K110 PolarHBondContact O-N 2.84Å; K110-L112 PolarHBondContact O-N 3.02Å; K110-Q113 WeakPolarHBondContact O-CB 3.3Å; K110-Q113 PolarHBondContact O-N 2.81Å; K110-L114 HydrophobicContact CD-CG 4.42Å; K110-L114 HydrophobicContact CG-CD1 4.49Å; K110-L114 WeakPolarHBondContact O-CG 3.31Å; K110-L114 PolarHBondContact O-N 2.88Å
111L97.6Very high95.5Very high0 Ų052.7 Ų52.70%026%0.263CS..Hα-helixtrans-62-42.6176.9-70.7168.2000111.6L78 I87 L94 L107 F108 Q113 L114 T115 L137L78-L111 HydrophobicContact CD1-CD2 3.9Å; L78-L111 HydrophobicContact CD1-CG 4.08Å; L78-L111 HydrophobicContact CD2-CD2 3.86Å; I87-L111 HydrophobicContact CD1-CD2 4.07Å; L94-L111 HydrophobicContact CD1-CD1 4.14Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 2.84Å; F108-L111 PolarHBondContact O-N 2.76Å; F108-L111 VanDerWaalsContact O-N 3.17Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.49Å; L111-L114 PolarHBondContact O-N 3.31Å; L111-T115 PolarHBondContact O-N 2.81Å; L111-T115 VanDerWaalsContact O-N 3.12Å; L111-L137 HydrophobicContact CB-CD2 3.71Å; L111-L137 HydrophobicContact CD1-CD1 4.38Å
112L96.8Very high95.8Very high40 Ų4055.1 Ų55.121%0.20927%0.274CS..Hα-helixtrans-64.1-34.3174.3-66.4167.7000112.7F108 E109 K110 T115 S116 L137 K140F108-L112 HydrophobicContact CD1-CD1 4.18Å; F108-L112 HydrophobicContact CD2-CD1 4.27Å; F108-L112 HydrophobicContact CD2-CG 4.29Å; F108-L112 HydrophobicContact CE1-CD1 3.84Å; F108-L112 HydrophobicContact CE2-CD1 3.93Å; F108-L112 HydrophobicContact CE2-CD2 4.14Å; F108-L112 HydrophobicContact CE2-CG 3.99Å; F108-L112 HydrophobicContact CG-CD1 4.4Å; F108-L112 HydrophobicContact CZ-CD1 3.71Å; F108-L112 HydrophobicContact CZ-CD2 4.33Å; F108-L112 HydrophobicContact CZ-CG 4.24Å; F108-L112 WeakPolarHBondContact O-CG 3.09Å; F108-L112 PolarHBondContact O-N 3Å; E109-L112 PolarHBondContact O-N 3.4Å; K110-L112 PolarHBondContact O-N 3.02Å; L112-T115 PolarHBondContact O-OG1 2.9Å; L112-S116 PolarHBondContact O-N 3.14Å; L112-S116 PolarHBondContact O-OG 3.36Å; L112-L137 HydrophobicContact CD2-CD2 3.87Å; L112-L137 HydrophobicContact CG-CD2 4.18Å; L112-K140 HydrophobicContact CD2-CB 4.28Å; L112-K140 HydrophobicContact CD2-CG 3.77Å
113Q96.8Very high96Very high93 Ų9352.5 Ų52.544%0.43526%0.256SS..Hα-helixtrans-65.3-45.1174.5-173.4-168.921.200110.8E109 K110 L111 S116 Q117E109-Q113 WeakPolarHBondContact O-CB 3.38Å; E109-Q113 PolarHBondContact O-N 2.72Å; K110-Q113 WeakPolarHBondContact O-CB 3.3Å; K110-Q113 PolarHBondContact O-N 2.81Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.49Å; Q113-S116 WeakPolarHBondContact O-CB 3.23Å; Q113-S116 PolarHBondContact O-N 2.75Å; Q113-S116 VanDerWaalsContact O-N 3.11Å; Q113-Q117 WeakPolarHBondContact O-CG 3.29Å; Q113-Q117 PolarHBondContact O-N 2.92Å
114L97.2Very high96.1Very high1 Ų149.4 Ų49.41%0.00524%0.241CC..Hα-helixtrans-64.3-39.8-178.9-67.8175.5000112L78 A81 V85 K110 L111 S116 Q117 I119 I121L78-L114 HydrophobicContact CB-CD1 3.97Å; L78-L114 HydrophobicContact CD2-CD1 3.85Å; L78-L114 HydrophobicContact CG-CD1 4.35Å; A81-L114 HydrophobicContact CB-CD1 4.44Å; A81-L114 HydrophobicContact CB-CD2 4.5Å; V85-L114 HydrophobicContact CG2-CD1 4.31Å; K110-L114 HydrophobicContact CD-CG 4.42Å; K110-L114 HydrophobicContact CG-CD1 4.49Å; K110-L114 WeakPolarHBondContact O-CG 3.31Å; K110-L114 PolarHBondContact O-N 2.88Å; L111-L114 PolarHBondContact O-N 3.31Å; L114-S116 PolarHBondContact O-N 3.11Å; L114-Q117 PolarHBondContact O-N 3.5Å; L114-I119 HydrophobicContact CB-CB 4.48Å; L114-I119 HydrophobicContact CB-CD1 4.23Å; L114-I119 HydrophobicContact CD2-CD1 3.4Å; L114-I119 HydrophobicContact CG-CD1 4.34Å; L114-I121 HydrophobicContact CB-CD1 3.84Å
115T93.8Very high96.1Very high19 Ų1949.4 Ų49.412%0.11724%0.241CC..Hα-helixtrans-59.9-30.9174.458.90000112.2L111 L112 Q117 I121 K140 A142L111-T115 PolarHBondContact O-N 2.81Å; L111-T115 VanDerWaalsContact O-N 3.12Å; L112-T115 PolarHBondContact O-OG1 2.9Å; T115-Q117 VanDerWaalsContact C-N 3.3Å; T115-Q117 PolarHBondContact O-N 2.99Å; T115-I121 HydrophobicContact CG2-CB 4.32Å; T115-I121 HydrophobicContact CG2-CD1 3.54Å; T115-I121 HydrophobicContact CG2-CG1 4.06Å; T115-K140 WeakPolarHBondContact CB-O 3.44Å; T115-K140 WeakPolarHBondContact OG1-CB 3.48Å; T115-A142 HydrophobicContact CG2-CB 4.13Å
116S91.3Very high95.9Very high91 Ų9146 Ų4664%0.63623%0.226SC*.THydrogen-bonded Turntrans-78.4-12.8177.2-51.90000113.5L112 Q113 L114L112-S116 PolarHBondContact O-N 3.14Å; L112-S116 PolarHBondContact O-OG 3.36Å; Q113-S116 WeakPolarHBondContact O-CB 3.23Å; Q113-S116 PolarHBondContact O-N 2.75Å; Q113-S116 VanDerWaalsContact O-N 3.11Å; L114-S116 PolarHBondContact O-N 3.11Å
117Q92.3Very high95.5Very high100 Ų10042.5 Ų42.547%0.46722%0.22SC..THydrogen-bonded Turntrans-97.217.1-178.8-70.1177.3-4.100113.3Q113 L114 T115 I119Q113-Q117 WeakPolarHBondContact O-CG 3.29Å; Q113-Q117 PolarHBondContact O-N 2.92Å; L114-Q117 PolarHBondContact O-N 3.5Å; T115-Q117 VanDerWaalsContact C-N 3.3Å; T115-Q117 PolarHBondContact O-N 2.99Å; Q117-I119 HydrophobicContact CB-CD1 4.26Å; Q117-I119 HydrophobicContact CB-CG1 4.42Å; Q117-I119 PolarHBondContact O-N 3.4Å
118N88.2Confident94.9Very high159 Ų15945.6 Ų45.685%0.8524%0.238SC*.THydrogen-bonded Turntrans59.330.1-176.9-158.851.5000113.5
119I96.8Very high94.3Very high12 Ų1245.9 Ų45.96%0.06224%0.244CC..  trans-89.3129.4170.6-66.8169.8000107.7A81 V85 L114 Q117 I121A81-I119 HydrophobicContact CB-CD1 4.44Å; V85-I119 HydrophobicContact CG2-CG2 4.15Å; L114-I119 HydrophobicContact CB-CB 4.48Å; L114-I119 HydrophobicContact CB-CD1 4.23Å; L114-I119 HydrophobicContact CD2-CD1 3.4Å; L114-I119 HydrophobicContact CG-CD1 4.34Å; Q117-I119 HydrophobicContact CB-CD1 4.26Å; Q117-I119 HydrophobicContact CB-CG1 4.42Å; Q117-I119 PolarHBondContact O-N 3.4Å; I119-I121 HydrophobicContact CG2-CG1 4.4Å; I119-I121 PolarHBondContact O-N 3.01Å
120E97.4Very high93.6Very high97 Ų9747.8 Ų47.845%0.45326%0.258SS..EExtended strand (participates in β ladder)trans-70.6120.9178.1-172.7-178.9-144.900109.8K83 S84 V85 K122K83-E120 PolarHBondContact O-N 2.89Å; S84-E120 CarbonylContact C-O 3.56Å; S84-E120 WeakPolarHBondContact CA-O 3.27Å; V85-E120 PolarHBondContact N-O 3.45Å; E120-K122 VanDerWaalsContact CD-CE 3.41Å; E120-K122 HydrophobicContact CG-CG 4.35Å; E120-K122 WeakPolarHBondContact OE1-CE 3.48Å; E120-K122 IonicContact OE1-NZ 3.86Å; E120-K122 PolarHBondContact OE1-NZ 3.5Å; E120-K122 IonicContact OE2-NZ 3.87Å; E120-K122 PolarHBondContact OE2-NZ 3.37Å
121I98.1Very high93.3Very high5 Ų547.1 Ų47.13%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-117.4119177.7-56.4-162.8000109.5V85 L114 T115 I119 L123 A142 E143V85-I121 HydrophobicContact CB-CG1 4.34Å; V85-I121 WeakPolarHBondContact O-CA 3.46Å; L114-I121 HydrophobicContact CB-CD1 3.84Å; T115-I121 HydrophobicContact CG2-CB 4.32Å; T115-I121 HydrophobicContact CG2-CD1 3.54Å; T115-I121 HydrophobicContact CG2-CG1 4.06Å; I119-I121 HydrophobicContact CG2-CG1 4.4Å; I119-I121 PolarHBondContact O-N 3.01Å; I121-L123 HydrophobicContact CG2-CD2 3.45Å; I121-L123 VanDerWaalsContact CG2-CD2 3.45Å; I121-L123 HydrophobicContact CG2-CG 3.99Å; I121-A142 HydrophobicContact CB-CB 4.02Å; I121-A142 HydrophobicContact CG2-CB 4Å; I121-A142 CarbonylContact O-C 3.51Å; I121-A142 WeakPolarHBondContact O-CA 3.4Å; I121-E143 PolarHBondContact O-N 2.97Å
122K98.2Very high93.1Very high52 Ų5255.4 Ų55.423%0.22629%0.292CS..EExtended strand (participates in β ladder)trans-117.8124176.7-62.7175.9170.1138.40110.5V85 D86 I87 E120 E143 F205V85-K122 PolarHBondContact O-N 3.04Å; D86-K122 CarbonylContact C-O 3.46Å; D86-K122 VanDerWaalsContact CA-O 3.29Å; D86-K122 WeakPolarHBondContact CA-O 3.08Å; D86-K122 WeakPolarHBondContact OD1-CB 3.26Å; I87-K122 PolarHBondContact N-O 3.31Å; E120-K122 VanDerWaalsContact CD-CE 3.41Å; E120-K122 HydrophobicContact CG-CG 4.35Å; E120-K122 WeakPolarHBondContact OE1-CE 3.48Å; E120-K122 IonicContact OE1-NZ 3.86Å; E120-K122 PolarHBondContact OE1-NZ 3.5Å; E120-K122 IonicContact OE2-NZ 3.87Å; E120-K122 PolarHBondContact OE2-NZ 3.37Å; K122-E143 CarbonylContact C-O 3.59Å; K122-E143 WeakPolarHBondContact CA-O 3.41Å; K122-E143 HydrophobicContact CG-CB 4.21Å; K122-F205 HydrophobicContact CB-CE1 4.11Å; K122-F205 HydrophobicContact CB-CZ 3.66Å; K122-F205 HydrophobicContact CD-CE1 4.34Å
123L97.9Very high93.1Very high1 Ų153.7 Ų53.71%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-119132.9-174.4-47.7-179.1000109.4I87 W92 I121 L134 L137 A142 E143 V144 T145I87-L123 HydrophobicContact CB-CD2 3.95Å; I87-L123 HydrophobicContact CD1-CD2 4.21Å; I87-L123 HydrophobicContact CG1-CD2 4.32Å; I87-L123 CarbonylContact O-C 3.54Å; I87-L123 WeakPolarHBondContact O-CA 3.2Å; W92-L123 HydrophobicContact CH2-CB 3.82Å; W92-L123 HydrophobicContact CH2-CD1 4.06Å; W92-L123 HydrophobicContact CH2-CD2 3.75Å; W92-L123 HydrophobicContact CH2-CG 4.08Å; W92-L123 HydrophobicContact CZ2-CB 4.15Å; W92-L123 HydrophobicContact CZ3-CD1 3.93Å; W92-L123 HydrophobicContact CZ3-CD2 4.15Å; W92-L123 HydrophobicContact CZ3-CG 4.43Å; I121-L123 HydrophobicContact CG2-CD2 3.45Å; I121-L123 VanDerWaalsContact CG2-CD2 3.45Å; I121-L123 HydrophobicContact CG2-CG 3.99Å; L123-L134 HydrophobicContact CB-CD2 4.27Å; L123-L134 HydrophobicContact CD1-CD2 3.81Å; L123-L137 HydrophobicContact CD1-CB 4.03Å; L123-L137 HydrophobicContact CD1-CD1 3.63Å; L123-L137 HydrophobicContact CD1-CG 4.44Å; L123-A142 HydrophobicContact CD1-CB 4.25Å; L123-E143 PolarHBondContact N-O 3.5Å; L123-V144 HydrophobicContact CB-CG2 4.33Å; L123-V144 HydrophobicContact CD1-CG2 4.11Å; L123-V144 WeakPolarHBondContact O-CA 3.2Å; L123-T145 PolarHBondContact O-N 3.44Å
124V97.1Very high93.1Very high0 Ų049.2 Ų49.20%026%0.263CS..EExtended strand (participates in β ladder)trans-115.6127173.1179.40000109.2I87 V88 S89 T145 L157 F205 Y208I87-V124 PolarHBondContact O-N 2.9Å; V88-V124 HydrophobicContact CG1-CB 4.31Å; V88-V124 HydrophobicContact CG1-CG1 4.36Å; V88-V124 HydrophobicContact CG2-CB 4.09Å; V88-V124 HydrophobicContact CG2-CG2 4.45Å; S89-V124 PolarHBondContact N-O 2.91Å; V124-T145 WeakPolarHBondContact CA-O 3.4Å; V124-L157 HydrophobicContact CG1-CD2 3.97Å; V124-F205 HydrophobicContact CB-CE2 4.47Å; V124-F205 HydrophobicContact CG2-CD2 4.26Å; V124-F205 HydrophobicContact CG2-CE1 4.37Å; V124-F205 HydrophobicContact CG2-CE2 3.6Å; V124-F205 HydrophobicContact CG2-CZ 3.67Å; V124-Y208 HydrophobicContact CG1-CD2 4.49Å
125S94.9Very high93Very high0 Ų054.3 Ų54.30%029%0.287CS..EExtended strand (participates in β ladder)trans-135.9159.3-179.2-174.50000111.6W92 A129 T145 Y146 M147W92-S125 VanDerWaalsContact CD1-OG 3.28Å; W92-S125 PolarHBondContact NE1-OG 3.33Å; S125-A129 WeakPolarHBondContact OG-CB 3.32Å; S125-T145 PolarHBondContact N-O 3.36Å; S125-Y146 CarbonylContact O-C 3.53Å; S125-Y146 WeakPolarHBondContact O-CA 3.35Å; S125-M147 PolarHBondContact O-N 3.19Å
126D91.8Very high93.1Very high2 Ų254.8 Ų54.81%0.01129%0.292CS..EExtended strand (participates in β ladder)trans-63.3143163.2-160.5-70.6000110.1T128 A129 R156 L157D126-T128 VanDerWaalsContact CG-OG1 3.28Å; D126-T128 PolarHBondContact O-N 3.14Å; D126-T128 WeakPolarHBondContact OD1-CB 3.45Å; D126-T128 PolarHBondContact OD1-N 2.96Å; D126-T128 PolarHBondContact OD1-OG1 2.92Å; D126-A129 VanDerWaalsContact O-CB 3.29Å; D126-A129 WeakPolarHBondContact O-CB 3.32Å; D126-A129 PolarHBondContact O-N 3.41Å; D126-A129 VanDerWaalsContact O-N 3.12Å; D126-R156 IonicContact OD1-NE 2.69Å; D126-R156 WeakPolarHBondContact OD2-CA 3.33Å; D126-R156 IonicContact OD2-NE 3.72Å; D126-R156 PolarHBondContact OD2-NE 3.11Å; D126-L157 HydrophobicContact CB-CB 4Å; D126-L157 PolarHBondContact OD2-N 3.39Å
127V88.9Confident93.3Very high67 Ų6750.5 Ų50.541%0.40626%0.262SS..THydrogen-bonded Turntrans-61.2-24.5176.173.90000113.3A129 M147 N148V127-A129 VanDerWaalsContact C-N 3.27Å; V127-M147 PolarHBondContact N-O 2.82Å; V127-N148 HydrophobicContact CB-CB 4.21Å; V127-N148 HydrophobicContact CG1-CB 3.79Å
128T85.4Confident93.5Very high64 Ų6451.4 Ų51.439%0.39327%0.265SS..THydrogen-bonded Turntrans-84.4-0.6179.858.50000113.2D126 D130 R156D126-T128 VanDerWaalsContact CG-OG1 3.28Å; D126-T128 PolarHBondContact O-N 3.14Å; D126-T128 WeakPolarHBondContact OD1-CB 3.45Å; D126-T128 PolarHBondContact OD1-N 2.96Å; D126-T128 PolarHBondContact OD1-OG1 2.92Å; T128-D130 PolarHBondContact O-N 3.38Å; T128-D130 VanDerWaalsContact O-N 3.14Å; T128-R156 PolarHBondContact OG1-NE 2.95Å; T128-R156 PolarHBondContact OG1-NH2 2.79Å
129A85.1Confident93.9Very high24 Ų2451.1 Ų51.120%0.19826%0.262CS..  trans-74.2100.9173.700000110S125 D126 V127 S131 L134S125-A129 WeakPolarHBondContact OG-CB 3.32Å; D126-A129 VanDerWaalsContact O-CB 3.29Å; D126-A129 WeakPolarHBondContact O-CB 3.32Å; D126-A129 PolarHBondContact O-N 3.41Å; D126-A129 VanDerWaalsContact O-N 3.12Å; V127-A129 VanDerWaalsContact C-N 3.27Å; A129-S131 PolarHBondContact O-N 2.99Å; A129-L134 HydrophobicContact CB-CD1 4.48Å
130D82.9Confident93.9Very high154 Ų15456.6 Ų56.682%0.82429%0.286SS*.  trans-81.7102.9166.7-175.811.1000108.6T128T128-D130 PolarHBondContact O-N 3.38Å; T128-D130 VanDerWaalsContact O-N 3.14Å
131S91.9Very high93.8Very high9 Ų955 Ų556%0.06330%0.296CS..  trans-142112.3-170.7175.30000112.8W92 A129 V133 L134 E135W92-S131 VanDerWaalsContact CB-OG 3.27Å; W92-S131 WeakPolarHBondContact CB-OG 3.5Å; W92-S131 WeakPolarHBondContact O-CB 3.42Å; W92-S131 PolarHBondContact O-OG 2.86Å; A129-S131 PolarHBondContact O-N 2.99Å; S131-V133 PolarHBondContact O-N 2.94Å; S131-V133 WeakPolarHBondContact OG-CB 3.41Å; S131-V133 PolarHBondContact OG-N 2.99Å; S131-L134 PolarHBondContact O-N 3.43Å; S131-L134 PolarHBondContact OG-N 3.5Å; S131-E135 PolarHBondContact O-N 3.38Å; S131-E135 VanDerWaalsContact O-N 3.16Å
132K93.4Very high93.7Very high173 Ų17355.1 Ų55.175%0.75230%0.297SS*.Hα-helixtrans-59.6-26.4169.1-64-179.4-179.7176.60112.7A136K132-A136 VanDerWaalsContact O-CB 3.28Å; K132-A136 WeakPolarHBondContact O-CB 3.29Å; K132-A136 PolarHBondContact O-N 2.79Å
133V95.2Very high93.7Very high4 Ų456.4 Ų56.42%0.02430%0.304CS..Hα-helixtrans-67.5-47.7176.8168.60000110.3L94 N95 F108 S131 A136 L137L94-V133 HydrophobicContact CB-CG2 4.25Å; L94-V133 HydrophobicContact CD1-CG1 4.39Å; N95-V133 HydrophobicContact CB-CG2 4.08Å; F108-V133 HydrophobicContact CD2-CB 4.5Å; F108-V133 HydrophobicContact CD2-CG1 3.71Å; F108-V133 HydrophobicContact CD2-CG2 4.41Å; F108-V133 HydrophobicContact CE2-CB 4.22Å; F108-V133 HydrophobicContact CE2-CG1 3.74Å; F108-V133 HydrophobicContact CE2-CG2 4.31Å; F108-V133 HydrophobicContact CZ-CG2 4.48Å; S131-V133 PolarHBondContact O-N 2.94Å; S131-V133 WeakPolarHBondContact OG-CB 3.41Å; S131-V133 PolarHBondContact OG-N 2.99Å; V133-A136 PolarHBondContact O-N 3.27Å; V133-L137 HydrophobicContact CG1-CD1 4Å; V133-L137 WeakPolarHBondContact O-CG 3.46Å; V133-L137 PolarHBondContact O-N 3.08Å
134L96.3Very high93.5Very high0 Ų056.9 Ų56.90%031%0.307CS..Hα-helixtrans-62.6-43.7176.1-75.3177.5000111.8W92 L123 A129 S131 A136 L137 K138 V144 Y146W92-L134 HydrophobicContact CB-CD1 4.15Å; W92-L134 HydrophobicContact CB-CG 3.92Å; W92-L134 HydrophobicContact CD2-CD1 4.12Å; W92-L134 HydrophobicContact CD2-CD2 3.41Å; W92-L134 VanDerWaalsContact CD2-CD2 3.41Å; W92-L134 HydrophobicContact CD2-CG 3.74Å; W92-L134 HydrophobicContact CE3-CD2 3.48Å; W92-L134 VanDerWaalsContact CE3-CD2 3.48Å; W92-L134 HydrophobicContact CE3-CG 4.06Å; W92-L134 HydrophobicContact CG-CD1 3.74Å; W92-L134 HydrophobicContact CG-CD2 3.92Å; W92-L134 HydrophobicContact CG-CG 3.67Å; W92-L134 HydrophobicContact CH2-CD2 4.16Å; W92-L134 HydrophobicContact CZ2-CD2 4.08Å; W92-L134 HydrophobicContact CZ3-CD2 3.85Å; L123-L134 HydrophobicContact CB-CD2 4.27Å; L123-L134 HydrophobicContact CD1-CD2 3.81Å; A129-L134 HydrophobicContact CB-CD1 4.48Å; S131-L134 PolarHBondContact O-N 3.43Å; S131-L134 PolarHBondContact OG-N 3.5Å; L134-A136 PolarHBondContact O-N 3.49Å; L134-L137 PolarHBondContact O-N 3.04Å; L134-K138 VanDerWaalsContact O-CB 3.29Å; L134-K138 WeakPolarHBondContact O-CB 3.28Å; L134-K138 PolarHBondContact O-N 3.35Å; L134-V144 HydrophobicContact CD1-CG1 4.4Å; L134-V144 HydrophobicContact CD2-CG1 3.98Å; L134-V144 HydrophobicContact CD2-CG2 4.4Å; L134-Y146 HydrophobicContact CD1-CE1 3.89Å
135E95.6Very high93.4Very high108 Ų10857 Ų5751%0.50531%0.308SS..Hα-helixtrans-59.1-47176.8-68.7-179.4161.300111.8S131 L137 K138 L139S131-E135 PolarHBondContact O-N 3.38Å; S131-E135 VanDerWaalsContact O-N 3.16Å; E135-L137 PolarHBondContact O-N 2.71Å; E135-K138 PolarHBondContact O-N 2.86Å; E135-L139 WeakPolarHBondContact O-CB 3.49Å; E135-L139 VanDerWaalsContact O-CG 3.29Å; E135-L139 WeakPolarHBondContact O-CG 3.37Å; E135-L139 PolarHBondContact O-N 3.28Å
136A96.3Very high93.3Very high29 Ų2960.4 Ų60.424%0.2432%0.321CS..Hα-helixtrans-63.2-41.9178.500000112.7F108 K132 V133 L134 L139 K140F108-A136 HydrophobicContact CE2-CB 4.19Å; F108-A136 HydrophobicContact CZ-CB 3.69Å; K132-A136 VanDerWaalsContact O-CB 3.28Å; K132-A136 WeakPolarHBondContact O-CB 3.29Å; K132-A136 PolarHBondContact O-N 2.79Å; V133-A136 PolarHBondContact O-N 3.27Å; L134-A136 PolarHBondContact O-N 3.49Å; A136-L139 PolarHBondContact O-N 3Å; A136-K140 WeakPolarHBondContact O-CG 3.23Å; A136-K140 PolarHBondContact O-N 3.4Å; A136-K140 VanDerWaalsContact O-N 3.16Å
137L96.6Very high93.2Very high0 Ų060.3 Ų60.30%032%0.321CS..Hα-helixtrans-65-42.2176-71.4167.2000111.3F108 L111 L112 L123 V133 L134 E135 L139 K140 G141 A142F108-L137 HydrophobicContact CE2-CD2 4.37Å; F108-L137 HydrophobicContact CE2-CG 4.08Å; L111-L137 HydrophobicContact CB-CD2 3.71Å; L111-L137 HydrophobicContact CD1-CD1 4.38Å; L112-L137 HydrophobicContact CD2-CD2 3.87Å; L112-L137 HydrophobicContact CG-CD2 4.18Å; L123-L137 HydrophobicContact CD1-CB 4.03Å; L123-L137 HydrophobicContact CD1-CD1 3.63Å; L123-L137 HydrophobicContact CD1-CG 4.44Å; V133-L137 HydrophobicContact CG1-CD1 4Å; V133-L137 WeakPolarHBondContact O-CG 3.46Å; V133-L137 PolarHBondContact O-N 3.08Å; L134-L137 PolarHBondContact O-N 3.04Å; E135-L137 PolarHBondContact O-N 2.71Å; L137-L139 PolarHBondContact O-N 3.46Å; L137-K140 CarbonylContact O-C 3.55Å; L137-K140 WeakPolarHBondContact O-CA 3.29Å; L137-K140 PolarHBondContact O-N 3.44Å; L137-K140 VanDerWaalsContact O-N 3.09Å; L137-G141 PolarHBondContact O-N 2.95Å; L137-A142 HydrophobicContact CB-CB 3.97Å; L137-A142 WeakPolarHBondContact O-CB 3.44Å; L137-A142 PolarHBondContact O-N 3.5Å
138K96.3Very high93.2Very high120 Ų12060 Ų6052%0.52232%0.317SS..Hα-helixtrans-61.1-44.3176.1-172.1178.3177.7-178.40111.9L134 E135 K140 G141 A142 V144L134-K138 VanDerWaalsContact O-CB 3.29Å; L134-K138 WeakPolarHBondContact O-CB 3.28Å; L134-K138 PolarHBondContact O-N 3.35Å; E135-K138 PolarHBondContact O-N 2.86Å; K138-K140 PolarHBondContact O-N 3.43Å; K138-G141 PolarHBondContact O-N 3.3Å; K138-A142 WeakPolarHBondContact CA-O 3.35Å; K138-V144 HydrophobicContact CB-CG2 3.85Å; K138-V144 HydrophobicContact CG-CG2 4.3Å
139L96.5Very high93.3Very high153 Ų15357 Ų5780%0.80130%0.298SS*.Hα-helixtrans-62.3-26.2175.4-73.3171.7000112.7E135 A136 L137E135-L139 WeakPolarHBondContact O-CB 3.49Å; E135-L139 VanDerWaalsContact O-CG 3.29Å; E135-L139 WeakPolarHBondContact O-CG 3.37Å; E135-L139 PolarHBondContact O-N 3.28Å; A136-L139 PolarHBondContact O-N 3Å; L137-L139 PolarHBondContact O-N 3.46Å
140K95.6Very high93.4Very high126 Ų12659.2 Ų59.255%0.54831%0.309SS..THydrogen-bonded Turntrans-917.4175.3-69.4-65.7-170.7175.50114.2L112 T115 A136 L137 K138L112-K140 HydrophobicContact CD2-CB 4.28Å; L112-K140 HydrophobicContact CD2-CG 3.77Å; T115-K140 WeakPolarHBondContact CB-O 3.44Å; T115-K140 WeakPolarHBondContact OG1-CB 3.48Å; A136-K140 WeakPolarHBondContact O-CG 3.23Å; A136-K140 PolarHBondContact O-N 3.4Å; A136-K140 VanDerWaalsContact O-N 3.16Å; L137-K140 CarbonylContact O-C 3.55Å; L137-K140 WeakPolarHBondContact O-CA 3.29Å; L137-K140 PolarHBondContact O-N 3.44Å; L137-K140 VanDerWaalsContact O-N 3.09Å; K138-K140 PolarHBondContact O-N 3.43Å
141G95.3Very high93.5Very high65 Ų6554.3 Ų54.367%0.6729%0.29SS*.THydrogen-bonded Turntrans100.45.2172.800000115.7L137 K138L137-G141 PolarHBondContact O-N 2.95Å; K138-G141 PolarHBondContact O-N 3.3Å
142A97.1Very high93.1Very high6 Ų655.4 Ų55.45%0.0529%0.293CS..  trans-69.7139.2170.300000110.9T115 I121 L123 L137 K138 V144T115-A142 HydrophobicContact CG2-CB 4.13Å; I121-A142 HydrophobicContact CB-CB 4.02Å; I121-A142 HydrophobicContact CG2-CB 4Å; I121-A142 CarbonylContact O-C 3.51Å; I121-A142 WeakPolarHBondContact O-CA 3.4Å; L123-A142 HydrophobicContact CD1-CB 4.25Å; L137-A142 HydrophobicContact CB-CB 3.97Å; L137-A142 WeakPolarHBondContact O-CB 3.44Å; L137-A142 PolarHBondContact O-N 3.5Å; K138-A142 WeakPolarHBondContact CA-O 3.35Å; A142-V144 PolarHBondContact O-N 2.92Å
143E96.6Very high92.7Very high80 Ų8048.9 Ų48.937%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-79.1121.1170.2-172.9-177174.500109.4I121 K122 L123 K212I121-E143 PolarHBondContact O-N 2.97Å; K122-E143 CarbonylContact C-O 3.59Å; K122-E143 WeakPolarHBondContact CA-O 3.41Å; K122-E143 HydrophobicContact CG-CB 4.21Å; L123-E143 PolarHBondContact N-O 3.5Å; E143-K212 IonicContact OE1-NZ 2.69Å; E143-K212 PolarHBondContact OE1-NZ 3.38Å
144V95.6Very high92.3Very high10 Ų1056.2 Ų56.26%0.06130%0.298CS..EExtended strand (participates in β ladder)trans-112.8122.5175.5-171.20000110.1L123 L134 K138 A142 Y146L123-V144 HydrophobicContact CB-CG2 4.33Å; L123-V144 HydrophobicContact CD1-CG2 4.11Å; L123-V144 WeakPolarHBondContact O-CA 3.2Å; L134-V144 HydrophobicContact CD1-CG1 4.4Å; L134-V144 HydrophobicContact CD2-CG1 3.98Å; L134-V144 HydrophobicContact CD2-CG2 4.4Å; K138-V144 HydrophobicContact CB-CG2 3.85Å; K138-V144 HydrophobicContact CG-CG2 4.3Å; A142-V144 PolarHBondContact O-N 2.92Å; V144-Y146 HydrophobicContact CB-CE2 4.24Å; V144-Y146 HydrophobicContact CG1-CD2 4.24Å; V144-Y146 HydrophobicContact CG1-CE1 4.09Å; V144-Y146 HydrophobicContact CG1-CE2 3.61Å
145T94.9Very high92.1Very high4 Ų456.3 Ų56.33%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-111.6123.9176.6-69.20000110.2L123 V124 S125 K212L123-T145 PolarHBondContact O-N 3.44Å; V124-T145 WeakPolarHBondContact CA-O 3.4Å; S125-T145 PolarHBondContact N-O 3.36Å; T145-K212 HydrophobicContact CG2-CB 3.74Å; T145-K212 HydrophobicContact CG2-CD 4.01Å; T145-K212 HydrophobicContact CG2-CG 3.85Å
146Y92.1Very high92Very high71 Ų7156.5 Ų56.528%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-101.9129.2179.7-64.6-82.7000111S125 L134 V144S125-Y146 CarbonylContact O-C 3.53Å; S125-Y146 WeakPolarHBondContact O-CA 3.35Å; L134-Y146 HydrophobicContact CD1-CE1 3.89Å; V144-Y146 HydrophobicContact CB-CE2 4.24Å; V144-Y146 HydrophobicContact CG1-CD2 4.24Å; V144-Y146 HydrophobicContact CG1-CE1 4.09Å; V144-Y146 HydrophobicContact CG1-CE2 3.61Å
147M90.1Very high91.9Very high0 Ų055.3 Ų55.30%029%0.285CS..EExtended strand (participates in β ladder)trans-104.3120.1177.5-175167.8171.700110S125 V127 M149 Y152 Y208 L211 F255 A403S125-M147 PolarHBondContact O-N 3.19Å; V127-M147 PolarHBondContact N-O 2.82Å; M147-M149 HydrophobicContact CE-CG 4.25Å; M147-M149 HydrophobicContact CE-SD 3.27Å; M147-M149 WeakPolarHBondContact CE-SD 3.41Å; M147-M149 HydrophobicContact CG-CG 4.22Å; M147-M149 HydrophobicContact CG-SD 4.31Å; M147-M149 PolarHBondContact O-N 2.94Å; M147-M149 HydrophobicContact SD-SD 4.28Å; M147-Y152 HydrophobicContact CG-CE2 4.36Å; M147-Y208 HydrophobicContact CE-CD1 4.2Å; M147-Y208 HydrophobicContact SD-CD1 3.98Å; M147-Y208 HydrophobicContact SD-CG 4.19Å; M147-L211 HydrophobicContact CE-CD1 3.43Å; M147-L211 VanDerWaalsContact CE-CD1 3.43Å; M147-L211 HydrophobicContact SD-CD1 4.2Å; M147-F255 HydrophobicContact CE-CD2 3.67Å; M147-F255 HydrophobicContact CE-CE1 3.98Å; M147-F255 HydrophobicContact CE-CE2 3.11Å; M147-F255 HydrophobicContact CE-CG 4.39Å; M147-F255 HydrophobicContact CE-CZ 3.28Å; M147-A403 HydrophobicContact CE-CB 4.26Å
148N89Confident91.9Very high61 Ų6157.9 Ų57.933%0.32630%0.297SS..  trans-89.179.8178-169.8-13.5000111.3V127 T150 A151 Y152V127-N148 HydrophobicContact CB-CB 4.21Å; V127-N148 HydrophobicContact CG1-CB 3.79Å; N148-T150 VanDerWaalsContact C-N 3.26Å; N148-T150 PolarHBondContact O-N 3.09Å; N148-T150 PolarHBondContact OD1-N 3.39Å; N148-A151 HydrophobicContact CB-CB 4.15Å; N148-A151 VanDerWaalsContact CG-CB 3.5Å; N148-A151 PolarHBondContact O-N 3.26Å; N148-A151 PolarHBondContact OD1-N 3.26Å; N148-Y152 WeakPolarHBondContact O-CD2 3.36Å; N148-Y152 VanDerWaalsContact O-CE2 3.3Å; N148-Y152 WeakPolarHBondContact O-CE2 3.43Å
149M87.8Confident91.9Very high0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-61.3-36.2177-78.5-58.5-64.400113.5M147 A151 Y152 N153 K154 G155 L157 F255 Q401 A403M147-M149 HydrophobicContact CE-CG 4.25Å; M147-M149 HydrophobicContact CE-SD 3.27Å; M147-M149 WeakPolarHBondContact CE-SD 3.41Å; M147-M149 HydrophobicContact CG-CG 4.22Å; M147-M149 HydrophobicContact CG-SD 4.31Å; M147-M149 PolarHBondContact O-N 2.94Å; M147-M149 HydrophobicContact SD-SD 4.28Å; M149-A151 PolarHBondContact O-N 3.29Å; M149-Y152 PolarHBondContact O-N 3.43Å; M149-Y152 VanDerWaalsContact O-N 3.07Å; M149-Y152 HydrophobicContact SD-CD2 4.29Å; M149-N153 VanDerWaalsContact CE-OD1 3.28Å; M149-N153 WeakPolarHBondContact CE-OD1 3.41Å; M149-N153 PolarHBondContact O-N 2.81Å; M149-N153 PolarHBondContact O-OD1 2.8Å; M149-K154 PolarHBondContact O-N 2.7Å; M149-G155 CarbonylContact C-O 3.55Å; M149-G155 WeakPolarHBondContact CB-O 3.29Å; M149-L157 HydrophobicContact CG-CB 4.34Å; M149-F255 HydrophobicContact CE-CE2 3.53Å; M149-F255 HydrophobicContact CE-CZ 3.99Å; M149-F255 HydrophobicContact SD-CD2 4.45Å; M149-F255 HydrophobicContact SD-CE2 3.23Å; M149-F255 WeakPolarHBondContact SD-CE2 3.31Å; M149-F255 HydrophobicContact SD-CZ 3.46Å; M149-F255 WeakPolarHBondContact SD-CZ 3.38Å; M149-Q401 WeakPolarHBondContact CE-O 3.4Å; M149-A403 HydrophobicContact CE-CB 3.96Å; M149-A403 HydrophobicContact CG-CB 4.5Å; M149-A403 HydrophobicContact SD-CB 3.9Å
150T86.2Confident91.9Very high70 Ų7044.9 Ų44.943%0.42923%0.234SC..Hα-helixtrans-58.4-37.7178.3-50.80000112N148 Y152 K154 G155N148-T150 VanDerWaalsContact C-N 3.26Å; N148-T150 PolarHBondContact O-N 3.09Å; N148-T150 PolarHBondContact OD1-N 3.39Å; T150-Y152 VanDerWaalsContact C-N 3.34Å; T150-Y152 PolarHBondContact O-N 2.8Å; T150-K154 PolarHBondContact O-N 2.8Å; T150-G155 PolarHBondContact N-O 3.5Å
151A84.5Confident92Very high52 Ų5238.9 Ų38.943%0.4321%0.207SC..Hα-helixtrans-69.5-27.3178.600000113.8N148 M149N148-A151 HydrophobicContact CB-CB 4.15Å; N148-A151 VanDerWaalsContact CG-CB 3.5Å; N148-A151 PolarHBondContact O-N 3.26Å; N148-A151 PolarHBondContact OD1-N 3.26Å; M149-A151 PolarHBondContact O-N 3.29Å
152Y84.6Confident92.2Very high32 Ų3235.8 Ų35.813%0.12518%0.176CC..Hα-helixtrans-88.2-51.3-175.3-57.7-47.8000113M147 N148 M149 T150 L211 K214 V217 F255M147-Y152 HydrophobicContact CG-CE2 4.36Å; N148-Y152 WeakPolarHBondContact O-CD2 3.36Å; N148-Y152 VanDerWaalsContact O-CE2 3.3Å; N148-Y152 WeakPolarHBondContact O-CE2 3.43Å; M149-Y152 PolarHBondContact O-N 3.43Å; M149-Y152 VanDerWaalsContact O-N 3.07Å; M149-Y152 HydrophobicContact SD-CD2 4.29Å; T150-Y152 VanDerWaalsContact C-N 3.34Å; T150-Y152 PolarHBondContact O-N 2.8Å; Y152-L211 HydrophobicContact CE2-CB 4.42Å; Y152-L211 HydrophobicContact CE2-CD1 4.33Å; Y152-L211 PolarHBondContact OH-O 3.28Å; Y152-L211 VanDerWaalsContact OH-O 3.04Å; Y152-K214 WeakPolarHBondContact OH-CB 3.49Å; Y152-K214 PolarHBondContact OH-O 3.2Å; Y152-V217 HydrophobicContact CD1-CG2 3.66Å; Y152-V217 HydrophobicContact CD2-CG2 4.41Å; Y152-V217 HydrophobicContact CE1-CG2 4.18Å; Y152-V217 HydrophobicContact CG-CG2 3.79Å; Y152-F255 HydrophobicContact CD2-CE1 4.29Å; Y152-F255 AromaticContact CD2-CZ 3.86Å; Y152-F255 HydrophobicContact CD2-CZ 3.86Å; Y152-F255 HydrophobicContact CG-CZ 4.43Å
153N85.5Confident92.3Very high36 Ų3635.5 Ų35.519%0.19317%0.173CC..Hα-helixtrans-15120.5-173.865.9-9.4000113M149 G155 P252 Q401M149-N153 VanDerWaalsContact CE-OD1 3.28Å; M149-N153 WeakPolarHBondContact CE-OD1 3.41Å; M149-N153 PolarHBondContact O-N 2.81Å; M149-N153 PolarHBondContact O-OD1 2.8Å; N153-G155 PolarHBondContact O-N 3.31Å; N153-G155 VanDerWaalsContact O-N 3.14Å; N153-G155 PolarHBondContact OD1-N 3.43Å; N153-P252 VanDerWaalsContact ND2-CG 3.28Å; N153-P252 WeakPolarHBondContact ND2-CG 3.31Å; N153-Q401 VanDerWaalsContact CG-O 3.29Å; N153-Q401 WeakPolarHBondContact ND2-CA 3.19Å; N153-Q401 PolarHBondContact ND2-O 3.15Å; N153-Q401 PolarHBondContact OD1-O 3Å; N153-Q401 VanDerWaalsContact OD1-O 3.12Å
154K86.7Confident92.3Very high158 Ų15831.7 Ų31.769%0.68716%0.155SC*.SBendtrans61.813.7-179.4-54.3-179180-1790114.7M149 T150M149-K154 PolarHBondContact O-N 2.7Å; T150-K154 PolarHBondContact O-N 2.8Å
155G90.9Very high92.4Very high1 Ų132.4 Ų32.41%0.0116%0.159CC..  trans-87.5-165.5175.900000113.4M149 T150 N153 N402M149-G155 CarbonylContact C-O 3.55Å; M149-G155 WeakPolarHBondContact CB-O 3.29Å; T150-G155 PolarHBondContact N-O 3.5Å; N153-G155 PolarHBondContact O-N 3.31Å; N153-G155 VanDerWaalsContact O-N 3.14Å; N153-G155 PolarHBondContact OD1-N 3.43Å; G155-N402 WeakPolarHBondContact CA-OD1 3.14Å
156R93.4Very high92.4Very high113 Ų11335 Ų3543%0.42617%0.17SC..  trans-135.3157.5178.5-60-62.8-67.7-84.9-8.3111.8D126 T128 Q158 N402 A403D126-R156 IonicContact OD1-NE 2.69Å; D126-R156 WeakPolarHBondContact OD2-CA 3.33Å; D126-R156 IonicContact OD2-NE 3.72Å; D126-R156 PolarHBondContact OD2-NE 3.11Å; T128-R156 PolarHBondContact OG1-NE 2.95Å; T128-R156 PolarHBondContact OG1-NH2 2.79Å; R156-Q158 PolarHBondContact O-N 3.47Å; R156-N402 PolarHBondContact N-OD1 3.42Å; R156-N402 CarbonylContact O-C 3.53Å; R156-N402 VanDerWaalsContact O-CA 3.25Å; R156-N402 WeakPolarHBondContact O-CA 3.39Å; R156-N402 WeakPolarHBondContact O-CB 3.48Å; R156-A403 PolarHBondContact O-N 3.25Å
157L94.8Very high92.5Very high4 Ų434.8 Ų34.82%0.02117%0.171CC..BIsolated β-bridgetrans-80.2108.5167.7179.867.4000109.2V88 V124 D126 M149 Y208 A403V88-L157 HydrophobicContact CG1-CD1 4.15Å; V88-L157 HydrophobicContact CG1-CD2 3.99Å; V88-L157 HydrophobicContact CG1-CG 4.38Å; V124-L157 HydrophobicContact CG1-CD2 3.97Å; D126-L157 HydrophobicContact CB-CB 4Å; D126-L157 PolarHBondContact OD2-N 3.39Å; M149-L157 HydrophobicContact CG-CB 4.34Å; L157-Y208 HydrophobicContact CD1-CD2 4.31Å; L157-Y208 HydrophobicContact CD1-CE2 4.03Å; L157-A403 HydrophobicContact CD1-CB 3.73Å
158Q95.6Very high92.9Very high54 Ų5435 Ų3525%0.25217%0.172SC..  trans-108-2.5175.6-67.7-179.9-29.900112.7R156 N391 F392 N402 A403R156-Q158 PolarHBondContact O-N 3.47Å; Q158-N391 WeakPolarHBondContact O-CB 3.38Å; Q158-F392 HydrophobicContact CB-CD1 4.23Å; Q158-F392 HydrophobicContact CB-CE1 3.94Å; Q158-N402 HydrophobicContact CG-CB 4.24Å; Q158-N402 PolarHBondContact NE2-ND2 2.87Å; Q158-N402 PolarHBondContact OE1-ND2 3.44Å; Q158-A403 CarbonylContact C-O 3.59Å; Q158-A403 PolarHBondContact N-O 3.13Å
159S96.4Very high93.3Very high0 Ų032.1 Ų32.10%016%0.157CC..  trans-59.7142.8178.9-170.70000112.7S89 S90 F161 N391 A403 T405S89-S159 CarbonylContact C-O 3.53Å; S89-S159 WeakPolarHBondContact CA-O 3.34Å; S90-S159 PolarHBondContact N-O 2.84Å; S159-F161 WeakPolarHBondContact OG-CD1 3.41Å; S159-N391 VanDerWaalsContact CA-OD1 3.31Å; S159-N391 WeakPolarHBondContact CA-OD1 3.32Å; S159-A403 PolarHBondContact N-O 3.3Å; S159-T405 WeakPolarHBondContact OG-CB 3.34Å; S159-T405 PolarHBondContact OG-OG1 2.92Å
160S97.2Very high93.8Very high0 Ų032.1 Ų32.10%016%0.157CC..  trans-142.6106.1172.5-172.80000111.5V88 G172 A174 N391V88-S160 WeakPolarHBondContact O-CA 3.22Å; S160-G172 PolarHBondContact O-N 3.44Å; S160-A174 VanDerWaalsContact CB-O 3.32Å; S160-A174 WeakPolarHBondContact CB-O 3.15Å; S160-A174 PolarHBondContact OG-O 3.21Å; S160-N391 PolarHBondContact N-ND2 2.78Å; S160-N391 PolarHBondContact N-OD1 2.82Å
161F98.6Very high94.4Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-156.6152.6173.870.3-98.4000111V88 S159 I163 Y170 I171 L201 I204 F205 Y208 T405V88-F161 HydrophobicContact CB-CD1 4.1Å; V88-F161 HydrophobicContact CB-CE1 3.88Å; V88-F161 HydrophobicContact CB-CE2 4.49Å; V88-F161 HydrophobicContact CB-CZ 4.1Å; V88-F161 HydrophobicContact CG1-CE1 4.38Å; V88-F161 HydrophobicContact CG2-CD1 4.18Å; V88-F161 HydrophobicContact CG2-CD2 4.31Å; V88-F161 HydrophobicContact CG2-CE1 3.55Å; V88-F161 HydrophobicContact CG2-CE2 3.69Å; V88-F161 HydrophobicContact CG2-CZ 3.27Å; V88-F161 PolarHBondContact N-O 2.8Å; V88-F161 PolarHBondContact O-N 3.23Å; V88-F161 VanDerWaalsContact O-N 3.13Å; S159-F161 WeakPolarHBondContact OG-CD1 3.41Å; F161-I163 HydrophobicContact CD2-CD1 4.28Å; F161-I163 HydrophobicContact CD2-CG1 4.31Å; F161-I163 HydrophobicContact CE2-CD1 3.83Å; F161-I163 HydrophobicContact CE2-CG1 4.35Å; F161-Y170 CarbonylContact C-O 3.59Å; F161-Y170 WeakPolarHBondContact CA-O 3.45Å; F161-Y170 WeakPolarHBondContact CB-O 3.28Å; F161-I171 HydrophobicContact CB-CB 4.07Å; F161-I171 HydrophobicContact CB-CD1 4.42Å; F161-I171 HydrophobicContact CB-CG1 4.19Å; F161-L201 HydrophobicContact CB-CD2 4.17Å; F161-L201 HydrophobicContact CD1-CD1 4.22Å; F161-L201 HydrophobicContact CD2-CD1 4.01Å; F161-L201 HydrophobicContact CD2-CD2 3.48Å; F161-L201 VanDerWaalsContact CD2-CD2 3.48Å; F161-L201 HydrophobicContact CD2-CG 3.64Å; F161-L201 HydrophobicContact CE1-CD1 4.35Å; F161-L201 HydrophobicContact CE2-CD1 4.16Å; F161-L201 HydrophobicContact CE2-CD2 4.06Å; F161-L201 HydrophobicContact CE2-CG 3.72Å; F161-L201 HydrophobicContact CG-CD1 4.04Å; F161-L201 HydrophobicContact CG-CD2 3.96Å; F161-L201 HydrophobicContact CG-CG 4.17Å; F161-L201 HydrophobicContact CZ-CD1 4.31Å; F161-L201 HydrophobicContact CZ-CG 4.29Å; F161-I204 HydrophobicContact CE1-CG2 3.93Å; F161-I204 HydrophobicContact CZ-CB 4.35Å; F161-I204 HydrophobicContact CZ-CG2 4.05Å; F161-F205 HydrophobicContact CE2-CB 4.12Å; F161-F205 HydrophobicContact CE2-CD2 4.19Å; F161-F205 HydrophobicContact CZ-CB 4.12Å; F161-F205 HydrophobicContact CZ-CD2 4.41Å; F161-Y208 AromaticContact CE1-CE2 3.99Å; F161-Y208 HydrophobicContact CE1-CE2 3.99Å; F161-T405 HydrophobicContact CD1-CG2 4.29Å
162W98.5Very high95Very high0 Ų026.5 Ų26.50%012%0.117CC..EExtended strand (participates in β ladder)trans-125.9145.7-178.3-54.315.9000109.2W74 L78 D86 I87 L107 V169 Y170 L176W74-W162 HydrophobicContact CB-CH2 3.71Å; W74-W162 HydrophobicContact CB-CZ2 4.43Å; W74-W162 HydrophobicContact CB-CZ3 3.96Å; W74-W162 AromaticContact CD2-CH2 3.64Å; W74-W162 HydrophobicContact CD2-CH2 3.64Å; W74-W162 AromaticContact CD2-CZ2 3.47Å; W74-W162 HydrophobicContact CD2-CZ2 3.47Å; W74-W162 VanDerWaalsContact CD2-CZ2 3.47Å; W74-W162 AromaticContact CE2-CZ2 3.67Å; W74-W162 AromaticContact CE3-CH2 3.88Å; W74-W162 HydrophobicContact CE3-CH2 3.88Å; W74-W162 AromaticContact CE3-CZ2 3.71Å; W74-W162 HydrophobicContact CE3-CZ2 3.71Å; W74-W162 AromaticContact CG-CH2 3.61Å; W74-W162 HydrophobicContact CG-CH2 3.61Å; W74-W162 AromaticContact CG-CZ2 3.84Å; W74-W162 HydrophobicContact CG-CZ2 3.84Å; W74-W162 HydrophobicContact CG-CZ3 4.08Å; W74-W162 HydrophobicContact CH2-CZ2 4.27Å; W74-W162 HydrophobicContact CZ2-CZ2 4.07Å; W74-W162 HydrophobicContact CZ3-CZ2 4.11Å; L78-W162 HydrophobicContact CD1-CZ3 4.19Å; L78-W162 HydrophobicContact CD2-CE3 4.34Å; L78-W162 HydrophobicContact CD2-CZ3 3.82Å; L78-W162 HydrophobicContact CG-CZ3 3.93Å; D86-W162 CarbonylContact O-C 3.53Å; D86-W162 VanDerWaalsContact O-CA 3.31Å; D86-W162 WeakPolarHBondContact O-CA 3.38Å; I87-W162 HydrophobicContact CD1-CD2 4Å; I87-W162 HydrophobicContact CD1-CE3 4.01Å; I87-W162 HydrophobicContact CD1-CH2 4.46Å; I87-W162 HydrophobicContact CD1-CZ2 4.48Å; I87-W162 HydrophobicContact CD1-CZ3 4.23Å; I87-W162 HydrophobicContact CG1-CB 4.35Å; I87-W162 HydrophobicContact CG1-CD2 3.93Å; I87-W162 HydrophobicContact CG1-CE3 4.25Å; I87-W162 HydrophobicContact CG1-CG 3.95Å; I87-W162 HydrophobicContact CG2-CD2 4.43Å; I87-W162 HydrophobicContact CG2-CG 4.22Å; L107-W162 HydrophobicContact CD1-CH2 4.32Å; L107-W162 HydrophobicContact CD2-CH2 4.15Å; W162-V169 VanDerWaalsContact O-CA 3.24Å; W162-V169 WeakPolarHBondContact O-CA 3.46Å; W162-Y170 AromaticContact CD1-CD1 3.61Å; W162-Y170 HydrophobicContact CD2-CD1 4.48Å; W162-Y170 AromaticContact CG-CD1 3.99Å; W162-Y170 HydrophobicContact CG-CD1 3.99Å; W162-Y170 PolarHBondContact N-O 2.75Å; W162-Y170 AromaticContact NE1-CD1 3.83Å; W162-Y170 PolarHBondContact O-N 3.39Å; W162-L176 HydrophobicContact CH2-CD2 3.88Å; W162-L176 HydrophobicContact CZ2-CD1 4.2Å; W162-L176 HydrophobicContact CZ2-CD2 3.34Å; W162-L176 HydrophobicContact CZ2-CG 3.85Å
163I98.6Very high95.6Very high0 Ų025.3 Ų25.30%011%0.113CC..EExtended strand (participates in β ladder)trans-124.9124.8171.8-62.1156.3000107.2D86 F161 H168 V198 L201 Q202 F205D86-I163 HydrophobicContact CB-CB 4.2Å; D86-I163 PolarHBondContact N-O 2.89Å; D86-I163 PolarHBondContact O-N 2.84Å; F161-I163 HydrophobicContact CD2-CD1 4.28Å; F161-I163 HydrophobicContact CD2-CG1 4.31Å; F161-I163 HydrophobicContact CE2-CD1 3.83Å; F161-I163 HydrophobicContact CE2-CG1 4.35Å; I163-H168 WeakPolarHBondContact CA-O 3.23Å; I163-V198 HydrophobicContact CG2-CG1 3.48Å; I163-V198 VanDerWaalsContact CG2-CG1 3.48Å; I163-L201 HydrophobicContact CD1-CB 4.3Å; I163-L201 HydrophobicContact CD1-CD2 4.25Å; I163-L201 HydrophobicContact CD1-CG 4.12Å; I163-L201 HydrophobicContact CG1-CD2 3.91Å; I163-L201 HydrophobicContact CG1-CG 4.33Å; I163-Q202 HydrophobicContact CD1-CG 3.79Å; I163-Q202 HydrophobicContact CG2-CG 4.32Å; I163-F205 HydrophobicContact CD1-CB 4.22Å
164V98.3Very high96.1Very high0 Ų023.6 Ų23.60%010%0.104CC..EExtended strand (participates in β ladder)trans-121.5128.3179.8179.80000109.9L77 A81 S84 V85 K166 Q167 H168L77-V164 HydrophobicContact CB-CG2 4.22Å; A81-V164 HydrophobicContact CB-CG1 3.65Å; S84-V164 WeakPolarHBondContact O-CA 3.22Å; V85-V164 HydrophobicContact CG1-CG2 4.39Å; V85-V164 HydrophobicContact CG2-CG1 4.31Å; V85-V164 HydrophobicContact CG2-CG2 4.35Å; V164-K166 PolarHBondContact O-N 3.16Å; V164-Q167 PolarHBondContact O-N 3.08Å; V164-H168 HydrophobicContact CB-CB 4.27Å; V164-H168 PolarHBondContact N-O 2.79Å; V164-H168 PolarHBondContact O-N 2.76Å
165D96.3Very high96.5Very high25 Ų2516 Ų1613%0.1347%0.071CC..THydrogen-bonded Turntrans5029.3179.2-66.1-16.8000114.4A81 K82 K83 S84 Q167A81-D165 WeakPolarHBondContact CA-OD2 3.35Å; K82-D165 VanDerWaalsContact N-CG 3.33Å; K82-D165 PolarHBondContact N-OD1 2.81Å; K82-D165 VanDerWaalsContact N-OD1 3.12Å; K82-D165 PolarHBondContact N-OD2 2.86Å; K83-D165 WeakPolarHBondContact CA-OD1 3.48Å; K83-D165 PolarHBondContact N-OD1 2.9Å; S84-D165 PolarHBondContact N-OD1 2.93Å; S84-D165 PolarHBondContact O-N 2.96Å; D165-Q167 PolarHBondContact O-N 2.69Å
166K94.5Very high96.7Very high57 Ų5716 Ų1625%0.2487%0.071CC..THydrogen-bonded Turntrans5324-172.8-46.9-166.3173.2160.40113.9D35 L37 V164 V198D35-K166 HydrophobicContact CB-CD 3.91Å; D35-K166 VanDerWaalsContact OD2-CD 3.24Å; D35-K166 WeakPolarHBondContact OD2-CD 3.25Å; D35-K166 WeakPolarHBondContact OD2-CE 2.98Å; D35-K166 IonicContact OD2-NZ 3.44Å; D35-K166 PolarHBondContact OD2-NZ 2.85Å; L37-K166 HydrophobicContact CD2-CB 4.39Å; V164-K166 PolarHBondContact O-N 3.16Å; K166-V198 HydrophobicContact CB-CG1 4.29Å; K166-V198 WeakPolarHBondContact O-CG1 3.48Å
167Q95.2Very high96.8Very high68 Ų6811.3 Ų11.332%0.3185%0.054SC..THydrogen-bonded Turntrans-131.2-33.5-170-175.6170.419.900113.4V164 D165 N193 C194V164-Q167 PolarHBondContact O-N 3.08Å; D165-Q167 PolarHBondContact O-N 2.69Å; Q167-N193 PolarHBondContact NE2-OD1 3.15Å; Q167-N193 PolarHBondContact O-N 3.06Å; Q167-C194 PolarHBondContact O-N 3.42Å
168H97.9Very high96.7Very high4 Ų411.1 Ų11.12%0.0195%0.053CC..EExtended strand (participates in β ladder)trans-117.6149.2-176.3-48.8-80.4000111.1L77 M80 I163 V164 F191 Y192 N193L77-H168 HydrophobicContact CD2-CB 3.49Å; L77-H168 VanDerWaalsContact CD2-CB 3.49Å; M80-H168 WeakPolarHBondContact CE-CE1 3.35Å; I163-H168 WeakPolarHBondContact CA-O 3.23Å; V164-H168 HydrophobicContact CB-CB 4.27Å; V164-H168 PolarHBondContact N-O 2.79Å; V164-H168 PolarHBondContact O-N 2.76Å; H168-F191 CarbonylContact C-O 3.57Å; H168-F191 VanDerWaalsContact CA-O 3.27Å; H168-F191 WeakPolarHBondContact CA-O 3.47Å; H168-Y192 WeakPolarHBondContact ND1-CA 3.49Å; H168-Y192 AromaticContact ND1-CD1 3.61Å; H168-N193 PolarHBondContact CE1-OD1 2.91Å; H168-N193 PolarHBondContact ND1-N 2.89Å
169V98.1Very high96.6Very high1 Ų19.9 Ų9.91%0.0065%0.047CC..EExtended strand (participates in β ladder)trans-132.8138.6179.9174.70000110.3W162 I190 F191 V198 L201W162-V169 VanDerWaalsContact O-CA 3.24Å; W162-V169 WeakPolarHBondContact O-CA 3.46Å; V169-I190 CarbonylContact O-C 3.47Å; V169-I190 VanDerWaalsContact O-CA 3.23Å; V169-I190 WeakPolarHBondContact O-CA 3.32Å; V169-I190 WeakPolarHBondContact O-CG2 3.24Å; V169-F191 HydrophobicContact CB-CB 4.28Å; V169-F191 PolarHBondContact N-O 2.87Å; V169-F191 PolarHBondContact O-N 3.18Å; V169-V198 HydrophobicContact CG2-CB 4.36Å; V169-V198 HydrophobicContact CG2-CG2 3.43Å; V169-V198 VanDerWaalsContact CG2-CG2 3.43Å; V169-L201 HydrophobicContact CB-CD2 4.38Å; V169-L201 HydrophobicContact CG1-CD2 3.4Å; V169-L201 VanDerWaalsContact CG1-CD2 3.4Å; V169-L201 HydrophobicContact CG2-CD2 4.05Å
170Y98.6Very high96.5Very high0 Ų09.9 Ų9.90%05%0.047CC..EExtended strand (participates in β ladder)trans-112141.4155.5163.1-98.5000109.1V51 L70 W74 F161 W162 V189 I190V51-Y170 HydrophobicContact CG2-CD2 4.07Å; V51-Y170 HydrophobicContact CG2-CE2 3.8Å; L70-Y170 HydrophobicContact CD1-CE2 3.69Å; W74-Y170 AromaticContact CD1-CD2 3.94Å; W74-Y170 AromaticContact CD1-CG 3.94Å; W74-Y170 AromaticContact CE2-CE1 3.8Å; W74-Y170 AromaticContact CE2-CZ 3.83Å; W74-Y170 HydrophobicContact CZ2-CD1 4.35Å; W74-Y170 AromaticContact CZ2-CE1 3.63Å; W74-Y170 HydrophobicContact CZ2-CE1 3.63Å; W74-Y170 HydrophobicContact CZ2-CE2 4.42Å; W74-Y170 AromaticContact CZ2-CZ 3.67Å; W74-Y170 AromaticContact NE1-CD1 3.37Å; W74-Y170 AromaticContact NE1-CD2 3.32Å; W74-Y170 VanDerWaalsContact NE1-CD2 3.32Å; W74-Y170 AromaticContact NE1-CE1 3.4Å; W74-Y170 AromaticContact NE1-CE2 3.32Å; W74-Y170 VanDerWaalsContact NE1-CE2 3.32Å; W74-Y170 AromaticContact NE1-CG 3.34Å; W74-Y170 VanDerWaalsContact NE1-CG 3.34Å; W74-Y170 AromaticContact NE1-CZ 3.38Å; F161-Y170 CarbonylContact C-O 3.59Å; F161-Y170 WeakPolarHBondContact CA-O 3.45Å; F161-Y170 WeakPolarHBondContact CB-O 3.28Å; W162-Y170 AromaticContact CD1-CD1 3.61Å; W162-Y170 HydrophobicContact CD2-CD1 4.48Å; W162-Y170 AromaticContact CG-CD1 3.99Å; W162-Y170 HydrophobicContact CG-CD1 3.99Å; W162-Y170 PolarHBondContact N-O 2.75Å; W162-Y170 AromaticContact NE1-CD1 3.83Å; W162-Y170 PolarHBondContact O-N 3.39Å; Y170-V189 WeakPolarHBondContact CA-O 3.27Å; Y170-I190 HydrophobicContact CD2-CG1 3.96Å
171I98.5Very high96.4Very high3 Ų39.9 Ų9.92%0.0155%0.047CC..EExtended strand (participates in β ladder)trans-148.5136168.4-177.7162.1000109.4F161 G188 V189 T405 L407F161-I171 HydrophobicContact CB-CB 4.07Å; F161-I171 HydrophobicContact CB-CD1 4.42Å; F161-I171 HydrophobicContact CB-CG1 4.19Å; I171-G188 CarbonylContact O-C 3.54Å; I171-G188 VanDerWaalsContact O-CA 3.24Å; I171-G188 WeakPolarHBondContact O-CA 3.45Å; I171-V189 HydrophobicContact CG2-CG2 3.76Å; I171-V189 PolarHBondContact N-O 3.11Å; I171-V189 VanDerWaalsContact N-O 3.08Å; I171-V189 PolarHBondContact O-N 3.34Å; I171-T405 HydrophobicContact CD1-CG2 3.72Å; I171-L407 HydrophobicContact CD1-CB 4.12Å; I171-L407 HydrophobicContact CG2-CB 4.23Å; I171-L407 HydrophobicContact CG2-CD2 3.65Å
172G97.4Very high95.9Very high0 Ų010.4 Ų10.40%05%0.053CC..EExtended strand (participates in β ladder)trans175.5-173.8-176.300000113.5S160 L187 N391S160-G172 PolarHBondContact O-N 3.44Å; G172-L187 WeakPolarHBondContact CA-O 3.41Å; G172-N391 PolarHBondContact O-ND2 3.42Å
173S96.3Very high95.4Very high7 Ų710.8 Ų10.85%0.0495%0.054CC..SBendtrans-75.3-28.4-175.256.50000114.3E186 L187 R377S173-E186 VanDerWaalsContact C-OE2 3.3Å; S173-E186 WeakPolarHBondContact CB-OE2 3.23Å; S173-E186 PolarHBondContact OG-OE2 2.62Å; S173-L187 PolarHBondContact N-O 3.01Å; S173-L187 PolarHBondContact OG-N 2.94Å; S173-L187 PolarHBondContact OG-O 2.91Å; S173-R377 WeakPolarHBondContact CB-O 3.39Å
174A96.6Very high95.1Very high0 Ų011.5 Ų11.50%06%0.058CC..  trans-72.7130-172.600000113.4L70 W74 S160 E186L70-A174 HydrophobicContact CD1-CB 4.37Å; L70-A174 HydrophobicContact CD2-CB 3.32Å; L70-A174 HydrophobicContact CG-CB 4.45Å; W74-A174 HydrophobicContact CH2-CB 3.92Å; W74-A174 HydrophobicContact CZ2-CB 3.93Å; S160-A174 VanDerWaalsContact CB-O 3.32Å; S160-A174 WeakPolarHBondContact CB-O 3.15Å; S160-A174 PolarHBondContact OG-O 3.21Å; A174-E186 HydrophobicContact CB-CB 3.82Å; A174-E186 HydrophobicContact CB-CG 3.8Å; A174-E186 PolarHBondContact N-OE2 3.45Å
175G94.9Very high95Very high0 Ų011.5 Ų11.50%06%0.058CC..  trans-85168.6163.400000112.3W74 E177 S180W74-G175 WeakPolarHBondContact CH2-O 3.17Å; G175-E177 PolarHBondContact O-N 2.95Å; G175-S180 WeakPolarHBondContact O-CB 3.35Å; G175-S180 PolarHBondContact O-OG 3.49Å
176L95.4Very high95Very high0 Ų010.3 Ų10.30%05%0.051CC..EExtended strand (participates in β ladder)trans-74.970.1174.7-84.5175.9000112W74 I87 S89 H91 W92 D93 L94 L107 W162W74-L176 HydrophobicContact CE3-CD2 4.24Å; W74-L176 HydrophobicContact CH2-CD2 4.33Å; W74-L176 HydrophobicContact CZ3-CD2 3.83Å; I87-L176 HydrophobicContact CD1-CD1 4.22Å; I87-L176 HydrophobicContact CG2-CD1 3.69Å; S89-L176 PolarHBondContact OG-N 2.85Å; H91-L176 CarbonylContact C-O 3.52Å; H91-L176 CarbonylContact O-C 3.56Å; H91-L176 WeakPolarHBondContact O-CB 3.29Å; H91-L176 PolarHBondContact O-N 3.34Å; W92-L176 CarbonylContact C-O 3.45Å; W92-L176 VanDerWaalsContact CA-O 3.24Å; W92-L176 WeakPolarHBondContact CA-O 2.82Å; W92-L176 HydrophobicContact CE3-CB 4.3Å; W92-L176 HydrophobicContact CE3-CD1 3.76Å; W92-L176 HydrophobicContact CH2-CD1 3.59Å; W92-L176 HydrophobicContact CZ2-CD1 4.39Å; W92-L176 HydrophobicContact CZ3-CD1 3.24Å; D93-L176 PolarHBondContact N-O 3.37Å; L94-L176 HydrophobicContact CD1-CD2 3.99Å; L94-L176 HydrophobicContact CD2-CB 4.36Å; L94-L176 HydrophobicContact CD2-CD2 4.04Å; L94-L176 HydrophobicContact CG-CB 4.44Å; L94-L176 HydrophobicContact CG-CD2 4.42Å; L107-L176 HydrophobicContact CD2-CD2 3.51Å; W162-L176 HydrophobicContact CH2-CD2 3.88Å; W162-L176 HydrophobicContact CZ2-CD1 4.2Å; W162-L176 HydrophobicContact CZ2-CD2 3.34Å; W162-L176 HydrophobicContact CZ2-CG 3.85Å
177E94.6Very high95.1Very high15 Ų157.7 Ų7.77%0.074%0.04CC..EExtended strand (participates in β ladder)trans-137151.6175.971.7-166.5142.400111.4H91 D93 G175 Q179 S180 R377H91-E177 HydrophobicContact CB-CB 4.05Å; H91-E177 HydrophobicContact CB-CG 4.39Å; H91-E177 IonicContact CD2-OE2 3.77Å; H91-E177 IonicContact CG-OE1 2.92Å; H91-E177 IonicContact CG-OE2 2.86Å; D93-E177 HydrophobicContact CB-CB 4.19Å; D93-E177 CarbonylContact O-C 3.59Å; D93-E177 VanDerWaalsContact O-CA 3.28Å; D93-E177 WeakPolarHBondContact O-CA 3.28Å; G175-E177 PolarHBondContact O-N 2.95Å; E177-Q179 HydrophobicContact CG-CB 4.29Å; E177-Q179 PolarHBondContact O-N 3.48Å; E177-S180 WeakPolarHBondContact CG-OG 3.49Å; E177-S180 WeakPolarHBondContact O-CB 3.41Å; E177-S180 PolarHBondContact O-N 3.01Å; E177-S180 PolarHBondContact OE1-OG 3.14Å; E177-S180 VanDerWaalsContact OE1-OG 3.08Å; E177-R377 IonicContact OE1-CZ 3.84Å; E177-R377 IonicContact OE1-NH1 2.69Å; E177-R377 PolarHBondContact OE1-NH1 3.47Å; E177-R377 IonicContact OE1-NH2 3.59Å; E177-R377 PolarHBondContact OE1-NH2 3.23Å
178W94.1Very high95.3Very high0 Ų04.5 Ų4.50%03%0.025CC..Hα-helixtrans-64.3-30.1-177.771.5-92.7000112.2D93 H96 H98 S100 A101 S180 L181 G182 Q183 F372D93-W178 VanDerWaalsContact O-CD1 3.28Å; D93-W178 PolarHBondContact O-N 3.01Å; D93-W178 PolarHBondContact OD2-NE1 2.98Å; H96-W178 VanDerWaalsContact CB-CD1 3.42Å; H96-W178 HydrophobicContact CB-CD2 4.39Å; H96-W178 HydrophobicContact CB-CG 3.95Å; H96-W178 AromaticContact CD2-CD1 3.96Å; H96-W178 AromaticContact CD2-CE2 3.96Å; H96-W178 AromaticContact CD2-NE1 3.25Å; H96-W178 PolarHBondContact CD2-NE1 3.28Å; H96-W178 VanDerWaalsContact CD2-NE1 3.25Å; H96-W178 AromaticContact CG-CD1 3.88Å; H96-W178 AromaticContact CG-CE2 3.94Å; H96-W178 AromaticContact CG-NE1 3.45Å; H98-W178 HydrophobicContact CB-CE3 4.34Å; H98-W178 HydrophobicContact CB-CH2 3.92Å; H98-W178 HydrophobicContact CB-CZ2 4.15Å; H98-W178 HydrophobicContact CB-CZ3 4.03Å; H98-W178 AromaticContact CD2-CH2 3.95Å; H98-W178 AromaticContact CE1-CZ3 3.96Å; H98-W178 AromaticContact CG-CH2 3.59Å; H98-W178 AromaticContact CG-CZ3 3.69Å; H98-W178 AromaticContact ND1-CH2 3.7Å; H98-W178 AromaticContact ND1-CZ3 3.37Å; H98-W178 WeakPolarHBondContact ND1-CZ3 3.15Å; S100-W178 VanDerWaalsContact OG-CZ3 3.23Å; S100-W178 WeakPolarHBondContact OG-CZ3 3.38Å; A101-W178 HydrophobicContact CB-CB 3.78Å; A101-W178 HydrophobicContact CB-CD2 4.12Å; A101-W178 HydrophobicContact CB-CE3 4.24Å; A101-W178 HydrophobicContact CB-CG 3.94Å; W178-S180 VanDerWaalsContact C-N 3.34Å; W178-S180 PolarHBondContact O-N 3.46Å; W178-L181 PolarHBondContact O-N 2.82Å; W178-G182 PolarHBondContact O-N 3.42Å; W178-G182 VanDerWaalsContact O-N 3.08Å; W178-Q183 HydrophobicContact CE3-CG 4.5Å; W178-Q183 HydrophobicContact CH2-CG 4.28Å; W178-Q183 HydrophobicContact CZ3-CG 3.63Å; W178-F372 HydrophobicContact CH2-CB 4.34Å; W178-F372 AromaticContact CH2-CD2 3.53Å; W178-F372 HydrophobicContact CH2-CD2 3.53Å; W178-F372 AromaticContact CH2-CE2 3.88Å; W178-F372 HydrophobicContact CH2-CE2 3.88Å; W178-F372 AromaticContact CH2-CG 3.88Å; W178-F372 HydrophobicContact CH2-CG 3.88Å; W178-F372 HydrophobicContact CZ2-CD1 4.3Å; W178-F372 AromaticContact CZ2-CD2 3.84Å; W178-F372 HydrophobicContact CZ2-CD2 3.84Å; W178-F372 HydrophobicContact CZ2-CE1 4.27Å; W178-F372 AromaticContact CZ2-CE2 3.79Å; W178-F372 HydrophobicContact CZ2-CE2 3.79Å; W178-F372 HydrophobicContact CZ2-CG 4.09Å; W178-F372 HydrophobicContact CZ2-CZ 4.01Å
179Q92.9Very high95.3Very high27 Ų274.3 Ų4.313%0.1262%0.024CC..Hα-helixtrans-63.4-41.4176.5-60.790.6-32.800111E177 L181 G182 Q183 M184E177-Q179 HydrophobicContact CG-CB 4.29Å; E177-Q179 PolarHBondContact O-N 3.48Å; Q179-L181 PolarHBondContact O-N 3.41Å; Q179-G182 PolarHBondContact O-N 3.29Å; Q179-Q183 PolarHBondContact O-N 2.81Å; Q179-M184 HydrophobicContact CB-CE 4.07Å; Q179-M184 HydrophobicContact CB-CG 3.92Å; Q179-M184 HydrophobicContact CG-CE 4.43Å; Q179-M184 PolarHBondContact O-N 3.21Å
180S94.8Very high95.3Very high0 Ų04.2 Ų4.20%02%0.024CC..Hα-helixtrans-60.6-25.9177.1-74.50000112.8N53 G175 E177 W178 E186 R377N53-S180 VanDerWaalsContact CB-O 3.27Å; N53-S180 WeakPolarHBondContact CB-O 3.46Å; N53-S180 PolarHBondContact ND2-O 2.84Å; N53-S180 VanDerWaalsContact ND2-O 3.17Å; G175-S180 WeakPolarHBondContact O-CB 3.35Å; G175-S180 PolarHBondContact O-OG 3.49Å; E177-S180 WeakPolarHBondContact CG-OG 3.49Å; E177-S180 WeakPolarHBondContact O-CB 3.41Å; E177-S180 PolarHBondContact O-N 3.01Å; E177-S180 PolarHBondContact OE1-OG 3.14Å; E177-S180 VanDerWaalsContact OE1-OG 3.08Å; W178-S180 VanDerWaalsContact C-N 3.34Å; W178-S180 PolarHBondContact O-N 3.46Å; S180-E186 PolarHBondContact OG-OE1 3.47Å; S180-R377 PolarHBondContact OG-NH1 3.17Å
181L94.3Very high95.3Very high1 Ų14.2 Ų4.21%0.0052%0.024CC..Hα-helixtrans-95.4-18.4-179.2-64.4168.2000113.9N53 L70 F71 W74 L94 Q103 L107 W178 Q179N53-L181 VanDerWaalsContact ND2-C 3.29Å; N53-L181 PolarHBondContact ND2-O 2.77Å; N53-L181 PolarHBondContact OD1-O 3.47Å; L70-L181 HydrophobicContact CB-CD2 4.4Å; L70-L181 HydrophobicContact CD2-CD2 3.98Å; L70-L181 HydrophobicContact CG-CD2 4.12Å; F71-L181 HydrophobicContact CB-CD2 4.01Å; W74-L181 HydrophobicContact CE3-CD2 3.81Å; W74-L181 HydrophobicContact CZ3-CD1 4.29Å; W74-L181 HydrophobicContact CZ3-CD2 3.71Å; W74-L181 HydrophobicContact CZ3-CG 4.15Å; L94-L181 HydrophobicContact CD2-CD1 4.24Å; Q103-L181 HydrophobicContact CB-CB 4.18Å; Q103-L181 HydrophobicContact CB-CD1 4.45Å; Q103-L181 PolarHBondContact OE1-O 3.46Å; L107-L181 HydrophobicContact CD2-CD1 4.22Å; W178-L181 PolarHBondContact O-N 2.82Å; Q179-L181 PolarHBondContact O-N 3.41Å
182G88.3Confident95.3Very high11 Ų114.3 Ų4.311%0.1132%0.024CC..Hα-helixtrans-129-33.8-173.300000116.1N53 E56 W178 Q179N53-G182 PolarHBondContact ND2-N 3.07Å; E56-G182 PolarHBondContact N-O 2.9Å; W178-G182 PolarHBondContact O-N 3.42Å; W178-G182 VanDerWaalsContact O-N 3.08Å; Q179-G182 PolarHBondContact O-N 3.29Å
183Q88.8Confident95.3Very high8 Ų87.1 Ų7.14%0.0374%0.039CC..THydrogen-bonded Turntrans-118.8-25-168.7-61.9-59.9-4100113.9P55 S100 W178 Q179P55-Q183 WeakPolarHBondContact CB-O 3.33Å; P55-Q183 VanDerWaalsContact CG-O 3.31Å; P55-Q183 WeakPolarHBondContact CG-O 3.17Å; S100-Q183 VanDerWaalsContact CB-NE2 3.33Å; S100-Q183 PolarHBondContact OG-NE2 2.86Å; W178-Q183 HydrophobicContact CE3-CG 4.5Å; W178-Q183 HydrophobicContact CH2-CG 4.28Å; W178-Q183 HydrophobicContact CZ3-CG 3.63Å; Q179-Q183 PolarHBondContact O-N 2.81Å
184M92.2Very high95.3Very high15 Ų156.8 Ų6.87%0.0744%0.037CC..SBendtrans-102.1138.8-177.1-54.4-56.7179.600111N53 P55 Q179 E186 P373 L375N53-M184 PolarHBondContact ND2-O 2.85Å; P55-M184 VanDerWaalsContact CG-C 3.5Å; Q179-M184 HydrophobicContact CB-CE 4.07Å; Q179-M184 HydrophobicContact CB-CG 3.92Å; Q179-M184 HydrophobicContact CG-CE 4.43Å; Q179-M184 PolarHBondContact O-N 3.21Å; M184-E186 HydrophobicContact CB-CG 4.05Å; M184-E186 PolarHBondContact O-N 3.21Å; M184-P373 HydrophobicContact CE-CG 4.49Å; M184-P373 WeakPolarHBondContact CE-O 3.2Å; M184-L375 CarbonylContact C-O 3.57Å; M184-L375 WeakPolarHBondContact CA-O 3.38Å; M184-L375 HydrophobicContact CE-CD1 4.34Å; M184-L375 HydrophobicContact CE-CG 4.43Å; M184-L375 HydrophobicContact SD-CB 3.65Å; M184-L375 HydrophobicContact SD-CD1 4.39Å; M184-L375 HydrophobicContact SD-CG 4.04Å; M184-L375 PolarHBondContact SD-N 2.86Å; M184-L375 VanDerWaalsContact SD-N 3.38Å
185K95Very high95.3Very high0 Ų07.5 Ų7.50%04%0.042CC..BIsolated β-bridgetrans-80.9115.6168.9178.5169.2178.655.10108E52 N53 P55 L58 F354 L375 N376 R377 N378 D431E52-K185 IonicContact OE2-NZ 3.87Å; E52-K185 PolarHBondContact OE2-NZ 3.42Å; N53-K185 WeakPolarHBondContact O-CA 3.35Å; P55-K185 HydrophobicContact CG-CB 3.85Å; P55-K185 VanDerWaalsContact CG-N 3.35Å; L58-K185 HydrophobicContact CD2-CD 4.3Å; K185-F354 HydrophobicContact CD-CE1 4.12Å; K185-F354 HydrophobicContact CD-CZ 4.25Å; K185-L375 PolarHBondContact N-O 3.44Å; K185-N376 HydrophobicContact CB-CB 4.19Å; K185-R377 PolarHBondContact O-N 3.15Å; K185-N378 PolarHBondContact O-OD1 3.21Å; K185-D431 VanDerWaalsContact CE-CG 3.43Å; K185-D431 WeakPolarHBondContact CE-OD1 3.15Å; K185-D431 WeakPolarHBondContact CE-OD2 3.36Å; K185-D431 IonicContact NZ-OD1 3.38Å; K185-D431 IonicContact NZ-OD2 2.8Å
186E96.5Very high95.4Very high0 Ų07.7 Ų7.70%04%0.043CC..EExtended strand (participates in β ladder)trans-129.8156.3-174.5-64.4-72.1-179.400109.9E52 N53 L70 S173 A174 S180 M184 R377 N378E52-E186 CarbonylContact C-O 3.59Å; E52-E186 WeakPolarHBondContact CA-O 3.44Å; E52-E186 VanDerWaalsContact CB-O 3.3Å; E52-E186 WeakPolarHBondContact CB-O 3.44Å; N53-E186 HydrophobicContact CB-CB 4.31Å; N53-E186 PolarHBondContact N-O 3.4Å; N53-E186 PolarHBondContact O-N 3.3Å; L70-E186 HydrophobicContact CD2-CB 4.32Å; S173-E186 VanDerWaalsContact C-OE2 3.3Å; S173-E186 WeakPolarHBondContact CB-OE2 3.23Å; S173-E186 PolarHBondContact OG-OE2 2.62Å; A174-E186 HydrophobicContact CB-CB 3.82Å; A174-E186 HydrophobicContact CB-CG 3.8Å; A174-E186 PolarHBondContact N-OE2 3.45Å; S180-E186 PolarHBondContact OG-OE1 3.47Å; M184-E186 HydrophobicContact CB-CG 4.05Å; M184-E186 PolarHBondContact O-N 3.21Å; E186-R377 WeakPolarHBondContact OE1-CB 3.05Å; E186-R377 VanDerWaalsContact OE1-CD 3.29Å; E186-R377 WeakPolarHBondContact OE1-CD 3.38Å; E186-R377 IonicContact OE1-CZ 3.71Å; E186-R377 IonicContact OE1-NE 3.49Å; E186-R377 IonicContact OE1-NH1 3.32Å; E186-R377 PolarHBondContact OE1-NH1 2.96Å; E186-R377 WeakPolarHBondContact OE2-CB 3.45Å; E186-N378 WeakPolarHBondContact CA-OD1 3.37Å
187L97.7Very high95.4Very high2 Ų27.8 Ų7.81%0.014%0.044CC..EExtended strand (participates in β ladder)trans-144.7144.2-179.6-176.6138.6000111.4L50 V51 G172 S173 N378 Y380 I389 L424 V427L50-L187 HydrophobicContact CD1-CD1 4.18Å; L50-L187 HydrophobicContact CD1-CD2 4.07Å; L50-L187 HydrophobicContact CD1-CG 4.11Å; L50-L187 HydrophobicContact CD2-CD1 4.4Å; L50-L187 HydrophobicContact CG-CD1 4.46Å; V51-L187 WeakPolarHBondContact O-CA 3.3Å; G172-L187 WeakPolarHBondContact CA-O 3.41Å; S173-L187 PolarHBondContact N-O 3.01Å; S173-L187 PolarHBondContact OG-N 2.94Å; S173-L187 PolarHBondContact OG-O 2.91Å; L187-N378 VanDerWaalsContact CB-OD1 3.26Å; L187-N378 WeakPolarHBondContact CB-OD1 3.23Å; L187-N378 PolarHBondContact N-OD1 2.97Å; L187-N378 VanDerWaalsContact N-OD1 3.14Å; L187-Y380 HydrophobicContact CD1-CD1 4.3Å; L187-Y380 HydrophobicContact CD1-CE1 4.07Å; L187-Y380 HydrophobicContact CD2-CD1 3.87Å; L187-Y380 HydrophobicContact CD2-CE1 4.46Å; L187-Y380 HydrophobicContact CD2-CG 4.22Å; L187-Y380 HydrophobicContact CG-CD1 4.48Å; L187-I389 HydrophobicContact CD2-CD1 4.43Å; L187-L424 HydrophobicContact CD1-CD1 3.74Å; L187-L424 HydrophobicContact CD2-CD1 3.72Å; L187-L424 HydrophobicContact CG-CD1 4.37Å; L187-V427 HydrophobicContact CD1-CG1 3.87Å
188G98.1Very high95.6Very high0 Ų07.1 Ų7.10%04%0.04CC..EExtended strand (participates in β ladder)trans-162.5-174.2174.500000111.7L50 V51 I171L50-G188 WeakPolarHBondContact CD1-O 3.27Å; V51-G188 WeakPolarHBondContact CG2-O 3.3Å; V51-G188 PolarHBondContact N-O 3.39Å; V51-G188 PolarHBondContact O-N 2.91Å; V51-G188 VanDerWaalsContact O-O 3.08Å; I171-G188 CarbonylContact O-C 3.54Å; I171-G188 VanDerWaalsContact O-CA 3.24Å; I171-G188 WeakPolarHBondContact O-CA 3.45Å
189V98.5Very high95.6Very high0 Ų08.1 Ų8.10%05%0.046CC..EExtended strand (participates in β ladder)trans-132146.3176.4-740000110.7I48 A49 L50 Y170 I171 F191 I389 L407 I420I48-V189 HydrophobicContact CD1-CB 4.16Å; I48-V189 HydrophobicContact CD1-CG1 4.15Å; I48-V189 HydrophobicContact CG1-CB 4.25Å; I48-V189 HydrophobicContact CG1-CG1 4.44Å; A49-V189 CarbonylContact O-C 3.49Å; A49-V189 WeakPolarHBondContact O-CA 3.3Å; L50-V189 HydrophobicContact CD1-CG1 3.79Å; Y170-V189 WeakPolarHBondContact CA-O 3.27Å; I171-V189 HydrophobicContact CG2-CG2 3.76Å; I171-V189 PolarHBondContact N-O 3.11Å; I171-V189 VanDerWaalsContact N-O 3.08Å; I171-V189 PolarHBondContact O-N 3.34Å; V189-F191 HydrophobicContact CB-CE2 4.25Å; V189-F191 HydrophobicContact CG2-CD2 4.33Å; V189-F191 HydrophobicContact CG2-CE2 3.61Å; V189-F191 HydrophobicContact CG2-CZ 4.44Å; V189-I389 HydrophobicContact CB-CD1 4.31Å; V189-I389 HydrophobicContact CG1-CD1 3.48Å; V189-I389 VanDerWaalsContact CG1-CD1 3.48Å; V189-I389 HydrophobicContact CG2-CD1 3.88Å; V189-L407 HydrophobicContact CG2-CD2 3.6Å; V189-I420 HydrophobicContact CG1-CD1 4.1Å; V189-I420 HydrophobicContact CG1-CG1 4.24Å
190I98.6Very high95.7Very high0 Ų06.8 Ų6.80%04%0.04CC..EExtended strand (participates in β ladder)trans-113.6125.5171.3-59.6-179.7000109.4I48 A49 V51 G73 L77 V169 Y170 Y192I48-I190 CarbonylContact C-O 3.48Å; I48-I190 VanDerWaalsContact CA-O 3.3Å; I48-I190 WeakPolarHBondContact CA-O 3.48Å; A49-I190 PolarHBondContact N-O 3.07Å; A49-I190 PolarHBondContact O-N 2.98Å; V51-I190 HydrophobicContact CG1-CD1 3.68Å; V51-I190 HydrophobicContact CG1-CG1 3.92Å; V51-I190 HydrophobicContact CG2-CD1 4.46Å; V51-I190 HydrophobicContact CG2-CG1 4.15Å; G73-I190 VanDerWaalsContact CA-CD1 3.41Å; G73-I190 WeakPolarHBondContact O-CD1 3.44Å; L77-I190 HydrophobicContact CD1-CD1 4Å; L77-I190 HydrophobicContact CD1-CG1 4.29Å; L77-I190 HydrophobicContact CD1-CG2 4.03Å; L77-I190 HydrophobicContact CD2-CG2 3.75Å; L77-I190 HydrophobicContact CG-CD1 4.26Å; L77-I190 HydrophobicContact CG-CG2 4.06Å; V169-I190 CarbonylContact O-C 3.47Å; V169-I190 VanDerWaalsContact O-CA 3.23Å; V169-I190 WeakPolarHBondContact O-CA 3.32Å; V169-I190 WeakPolarHBondContact O-CG2 3.24Å; Y170-I190 HydrophobicContact CD2-CG1 3.96Å; I190-Y192 HydrophobicContact CB-CE2 4.05Å; I190-Y192 HydrophobicContact CG2-CD1 4.32Å; I190-Y192 HydrophobicContact CG2-CD2 4.04Å; I190-Y192 HydrophobicContact CG2-CE1 3.81Å; I190-Y192 HydrophobicContact CG2-CE2 3.51Å; I190-Y192 HydrophobicContact CG2-CG 4.42Å
191F98.4Very high95.8Very high0 Ų06.9 Ų6.90%04%0.04CC..EExtended strand (participates in β ladder)trans-99.7129.3169.5-65.8-103.7000109.5R47 I48 H168 V169 V189 C194 L197 L237 L239 L407 I409R47-F191 CarbonylContact O-C 3.6Å; R47-F191 WeakPolarHBondContact O-CA 3.39Å; I48-F191 HydrophobicContact CB-CD1 4.45Å; I48-F191 HydrophobicContact CD1-CD1 4.29Å; I48-F191 HydrophobicContact CD1-CE1 3.65Å; I48-F191 HydrophobicContact CD1-CE2 3.94Å; I48-F191 HydrophobicContact CD1-CZ 3.44Å; I48-F191 VanDerWaalsContact CD1-CZ 3.44Å; I48-F191 HydrophobicContact CG1-CD1 4.37Å; I48-F191 HydrophobicContact CG1-CE1 4.22Å; I48-F191 HydrophobicContact CG1-CE2 4.42Å; I48-F191 HydrophobicContact CG1-CZ 4.24Å; H168-F191 CarbonylContact C-O 3.57Å; H168-F191 VanDerWaalsContact CA-O 3.27Å; H168-F191 WeakPolarHBondContact CA-O 3.47Å; V169-F191 HydrophobicContact CB-CB 4.28Å; V169-F191 PolarHBondContact N-O 2.87Å; V169-F191 PolarHBondContact O-N 3.18Å; V189-F191 HydrophobicContact CB-CE2 4.25Å; V189-F191 HydrophobicContact CG2-CD2 4.33Å; V189-F191 HydrophobicContact CG2-CE2 3.61Å; V189-F191 HydrophobicContact CG2-CZ 4.44Å; F191-C194 HydrophobicContact CB-CB 3.82Å; F191-C194 HydrophobicContact CD1-CB 4.43Å; F191-L197 HydrophobicContact CB-CD2 4.38Å; F191-L197 HydrophobicContact CD1-CD2 3.75Å; F191-L197 HydrophobicContact CD2-CD2 3.72Å; F191-L197 HydrophobicContact CE1-CD2 3.83Å; F191-L197 HydrophobicContact CE2-CD2 3.82Å; F191-L197 HydrophobicContact CG-CD2 3.69Å; F191-L197 HydrophobicContact CZ-CD2 3.87Å; F191-L237 HydrophobicContact CE1-CD1 4.44Å; F191-L239 HydrophobicContact CD1-CD2 3.88Å; F191-L239 HydrophobicContact CE1-CD1 4.01Å; F191-L239 HydrophobicContact CE1-CD2 3.72Å; F191-L407 HydrophobicContact CE2-CD2 3.5Å; F191-L407 HydrophobicContact CZ-CD2 3.72Å; F191-I409 HydrophobicContact CZ-CD1 3.86Å; F191-I409 HydrophobicContact CZ-CG1 4.47Å
192Y97.9Very high95.9Very high4 Ų48.5 Ų8.52%0.0165%0.047CC..EExtended strand (participates in β ladder)trans-109139.6172-54.3-91.7000110.4C46 R47 A49 L77 M80 H168 I190 C194C46-Y192 WeakPolarHBondContact CA-O 3.43Å; R47-Y192 HydrophobicContact CB-CD2 4.38Å; R47-Y192 HydrophobicContact CG-CD2 4.48Å; R47-Y192 PolarHBondContact N-O 3.44Å; R47-Y192 PolarHBondContact O-N 2.98Å; A49-Y192 HydrophobicContact CB-CE2 4.2Å; L77-Y192 HydrophobicContact CD2-CD1 4.45Å; L77-Y192 HydrophobicContact CD2-CE1 4.03Å; M80-Y192 HydrophobicContact CE-CD1 4.48Å; M80-Y192 HydrophobicContact SD-CD1 4.09Å; M80-Y192 HydrophobicContact SD-CE1 4.09Å; H168-Y192 WeakPolarHBondContact ND1-CA 3.49Å; H168-Y192 AromaticContact ND1-CD1 3.61Å; I190-Y192 HydrophobicContact CB-CE2 4.05Å; I190-Y192 HydrophobicContact CG2-CD1 4.32Å; I190-Y192 HydrophobicContact CG2-CD2 4.04Å; I190-Y192 HydrophobicContact CG2-CE1 3.81Å; I190-Y192 HydrophobicContact CG2-CE2 3.51Å; I190-Y192 HydrophobicContact CG2-CG 4.42Å; Y192-C194 VanDerWaalsContact C-N 3.33Å; Y192-C194 PolarHBondContact O-N 3.14Å
193N96.6Very high96.3Very high59 Ų5910.8 Ų10.832%0.3165%0.053SC..SBendtrans56.845.2176.8-54.3-19.6000112.5Q43 Q167 H168Q43-N193 WeakPolarHBondContact CG-O 3.46Å; Q167-N193 PolarHBondContact NE2-OD1 3.15Å; Q167-N193 PolarHBondContact O-N 3.06Å; H168-N193 PolarHBondContact CE1-OD1 2.91Å; H168-N193 PolarHBondContact ND1-N 2.89Å
194C97Very high96.6Very high0 Ų010.5 Ų10.50%05%0.051CC..  trans-122.154.8-172-145.30000112.2C46 Q167 F191 Y192 C196 L197 V198C46-C194 HydrophobicContact CB-CB 3.53Å; C46-C194 WeakPolarHBondContact CB-SG 3.29Å; C46-C194 WeakPolarHBondContact SG-CA 3.42Å; C46-C194 WeakPolarHBondContact SG-CB 3.45Å; C46-C194 CovalentContact SG-SG 2.05Å; C46-C194 PolarHBondContact SG-SG 3.41Å; Q167-C194 PolarHBondContact O-N 3.42Å; F191-C194 HydrophobicContact CB-CB 3.82Å; F191-C194 HydrophobicContact CD1-CB 4.43Å; Y192-C194 VanDerWaalsContact C-N 3.33Å; Y192-C194 PolarHBondContact O-N 3.14Å; C194-C196 PolarHBondContact O-N 2.83Å; C194-C196 VanDerWaalsContact O-N 3.16Å; C194-L197 HydrophobicContact CB-CB 4.41Å; C194-L197 PolarHBondContact O-N 2.71Å; C194-V198 WeakPolarHBondContact O-CG2 3.24Å; C194-V198 PolarHBondContact O-N 2.58Å
195S96.6Very high96.9Very high15 Ų1510.5 Ų10.511%0.1055%0.051CC..Hα-helixtrans-64.7-22.6-17261.10000113.6Q43 V198 L199Q43-S195 PolarHBondContact N-OG 3.33Å; Q43-S195 PolarHBondContact O-N 3.43Å; S195-V198 PolarHBondContact O-N 2.94Å; S195-L199 WeakPolarHBondContact O-CG 3.33Å; S195-L199 PolarHBondContact O-N 3.13Å
196C96.5Very high96.9Very high5 Ų512.1 Ų12.13%0.0347%0.065CC..Hα-helixtrans-66.6-39.2172-62.70000112.8C42 Q43 C194 L235C42-C196 HydrophobicContact CB-CB 3.83Å; C42-C196 WeakPolarHBondContact CB-SG 3.38Å; C42-C196 PolarHBondContact O-SG 2.83Å; C42-C196 WeakPolarHBondContact SG-CA 2.91Å; C42-C196 WeakPolarHBondContact SG-CB 3.46Å; C42-C196 CovalentContact SG-SG 2.03Å; C42-C196 PolarHBondContact SG-SG 2.05Å; Q43-C196 VanDerWaalsContact C-SG 3.5Å; Q43-C196 PolarHBondContact O-N 3.38Å; Q43-C196 PolarHBondContact O-SG 2.79Å; C194-C196 PolarHBondContact O-N 2.83Å; C194-C196 VanDerWaalsContact O-N 3.16Å; C196-L235 HydrophobicContact CB-CD1 3.73Å; C196-L235 HydrophobicContact CB-CD2 3.98Å
197L97.1Very high96.8Very high2 Ų212.2 Ų12.21%0.017%0.065CC..Hα-helixtrans-71-39.4175.2-179.364.1000110.5F191 C194 L199 D200 L201 L235 V248 L407F191-L197 HydrophobicContact CB-CD2 4.38Å; F191-L197 HydrophobicContact CD1-CD2 3.75Å; F191-L197 HydrophobicContact CD2-CD2 3.72Å; F191-L197 HydrophobicContact CE1-CD2 3.83Å; F191-L197 HydrophobicContact CE2-CD2 3.82Å; F191-L197 HydrophobicContact CG-CD2 3.69Å; F191-L197 HydrophobicContact CZ-CD2 3.87Å; C194-L197 HydrophobicContact CB-CB 4.41Å; C194-L197 PolarHBondContact O-N 2.71Å; L197-L199 VanDerWaalsContact C-N 3.31Å; L197-L199 PolarHBondContact O-N 2.92Å; L197-D200 PolarHBondContact O-N 2.93Å; L197-L201 PolarHBondContact O-N 2.9Å; L197-L201 VanDerWaalsContact O-N 3.08Å; L197-L235 HydrophobicContact CB-CD2 4.1Å; L197-V248 HydrophobicContact CD1-CG1 4.1Å; L197-L407 HydrophobicContact CD1-CD1 4.4Å
198V96.8Very high96.7Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-57.3-45.1176.5175.30000111.2I163 K166 V169 C194 S195 D200 L201 Q202I163-V198 HydrophobicContact CG2-CG1 3.48Å; I163-V198 VanDerWaalsContact CG2-CG1 3.48Å; K166-V198 HydrophobicContact CB-CG1 4.29Å; K166-V198 WeakPolarHBondContact O-CG1 3.48Å; V169-V198 HydrophobicContact CG2-CB 4.36Å; V169-V198 HydrophobicContact CG2-CG2 3.43Å; V169-V198 VanDerWaalsContact CG2-CG2 3.43Å; C194-V198 WeakPolarHBondContact O-CG2 3.24Å; C194-V198 PolarHBondContact O-N 2.58Å; S195-V198 PolarHBondContact O-N 2.94Å; V198-D200 PolarHBondContact O-N 3.43Å; V198-L201 PolarHBondContact O-N 3.42Å; V198-L201 VanDerWaalsContact O-N 3.14Å; V198-Q202 HydrophobicContact CG1-CG 3.83Å; V198-Q202 WeakPolarHBondContact O-CB 3.2Å; V198-Q202 VanDerWaalsContact O-CG 3.26Å; V198-Q202 WeakPolarHBondContact O-CG 3.34Å; V198-Q202 PolarHBondContact O-N 3.47Å
199L95.2Very high96.4Very high21 Ų2112.8 Ų12.811%0.117%0.069CC..Hα-helixtrans-50.5-45177.4-84.6173.4000112.8L37 S38 C42 S195 L197L37-L199 HydrophobicContact CB-CD2 3.97Å; L37-L199 HydrophobicContact CD2-CD1 4.37Å; L37-L199 HydrophobicContact CD2-CD2 3.59Å; L37-L199 HydrophobicContact CD2-CG 3.57Å; L37-L199 HydrophobicContact CG-CD1 3.96Å; L37-L199 HydrophobicContact CG-CD2 3.53Å; L37-L199 HydrophobicContact CG-CG 3.64Å; S38-L199 VanDerWaalsContact C-CD1 3.42Å; S38-L199 WeakPolarHBondContact O-CD1 3.02Å; C42-L199 HydrophobicContact CB-CD1 3.67Å; S195-L199 WeakPolarHBondContact O-CG 3.33Å; S195-L199 PolarHBondContact O-N 3.13Å; L197-L199 VanDerWaalsContact C-N 3.31Å; L197-L199 PolarHBondContact O-N 2.92Å
200D95.8Very high96Very high0 Ų014 Ų140%08%0.078CC..Hα-helixtrans-77.6-33.7-176.8-162.627.5000112.2L197 V198 R203 V228 Y229 V248 R260L197-D200 PolarHBondContact O-N 2.93Å; V198-D200 PolarHBondContact O-N 3.43Å; D200-R203 PolarHBondContact O-N 3.3Å; D200-V228 HydrophobicContact CB-CB 3.98Å; D200-V228 HydrophobicContact CB-CG2 3.98Å; D200-V228 PolarHBondContact OD1-N 3.11Å; D200-Y229 HydrophobicContact CB-CD2 3.86Å; D200-Y229 HydrophobicContact CB-CE2 4.26Å; D200-V248 HydrophobicContact CB-CG2 4.14Å; D200-V248 VanDerWaalsContact OD2-CG2 3.29Å; D200-V248 WeakPolarHBondContact OD2-CG2 3.26Å; D200-R260 PolarHBondContact O-NH2 2.88Å; D200-R260 IonicContact OD1-CZ 3.7Å; D200-R260 IonicContact OD1-NH1 3Å; D200-R260 IonicContact OD1-NH2 2.76Å; D200-R260 PolarHBondContact OD1-NH2 2.7Å; D200-R260 IonicContact OD2-CZ 3.83Å; D200-R260 IonicContact OD2-NH1 3.53Å; D200-R260 IonicContact OD2-NH2 3Å
201L96.7Very high95.5Very high1 Ų114 Ų141%0.0058%0.078CC..Hα-helixtrans-72.7-33.3175.9-165.568.6000112.1F161 I163 V169 L197 V198 R203 I204 F205 V248 T405F161-L201 HydrophobicContact CB-CD2 4.17Å; F161-L201 HydrophobicContact CD1-CD1 4.22Å; F161-L201 HydrophobicContact CD2-CD1 4.01Å; F161-L201 HydrophobicContact CD2-CD2 3.48Å; F161-L201 VanDerWaalsContact CD2-CD2 3.48Å; F161-L201 HydrophobicContact CD2-CG 3.64Å; F161-L201 HydrophobicContact CE1-CD1 4.35Å; F161-L201 HydrophobicContact CE2-CD1 4.16Å; F161-L201 HydrophobicContact CE2-CD2 4.06Å; F161-L201 HydrophobicContact CE2-CG 3.72Å; F161-L201 HydrophobicContact CG-CD1 4.04Å; F161-L201 HydrophobicContact CG-CD2 3.96Å; F161-L201 HydrophobicContact CG-CG 4.17Å; F161-L201 HydrophobicContact CZ-CD1 4.31Å; F161-L201 HydrophobicContact CZ-CG 4.29Å; I163-L201 HydrophobicContact CD1-CB 4.3Å; I163-L201 HydrophobicContact CD1-CD2 4.25Å; I163-L201 HydrophobicContact CD1-CG 4.12Å; I163-L201 HydrophobicContact CG1-CD2 3.91Å; I163-L201 HydrophobicContact CG1-CG 4.33Å; V169-L201 HydrophobicContact CB-CD2 4.38Å; V169-L201 HydrophobicContact CG1-CD2 3.4Å; V169-L201 VanDerWaalsContact CG1-CD2 3.4Å; V169-L201 HydrophobicContact CG2-CD2 4.05Å; L197-L201 PolarHBondContact O-N 2.9Å; L197-L201 VanDerWaalsContact O-N 3.08Å; V198-L201 PolarHBondContact O-N 3.42Å; V198-L201 VanDerWaalsContact O-N 3.14Å; L201-R203 PolarHBondContact O-N 3.25Å; L201-I204 HydrophobicContact CD1-CD1 4.27Å; L201-I204 WeakPolarHBondContact O-CB 3.36Å; L201-I204 PolarHBondContact O-N 3.01Å; L201-F205 PolarHBondContact O-N 2.89Å; L201-V248 HydrophobicContact CD1-CG1 4.2Å; L201-T405 HydrophobicContact CD1-CG2 3.9Å
202Q96Very high94.9Very high35 Ų3517 Ų1716%0.1649%0.091CC..Hα-helixtrans-58.9-32.6171.8-79.7176.4-3400112.1I163 V198 I204 F205 A206I163-Q202 HydrophobicContact CD1-CG 3.79Å; I163-Q202 HydrophobicContact CG2-CG 4.32Å; V198-Q202 HydrophobicContact CG1-CG 3.83Å; V198-Q202 WeakPolarHBondContact O-CB 3.2Å; V198-Q202 VanDerWaalsContact O-CG 3.26Å; V198-Q202 WeakPolarHBondContact O-CG 3.34Å; V198-Q202 PolarHBondContact O-N 3.47Å; Q202-I204 VanDerWaalsContact C-N 3.32Å; Q202-I204 PolarHBondContact O-N 2.78Å; Q202-F205 PolarHBondContact O-N 3.32Å; Q202-A206 VanDerWaalsContact O-CB 3.27Å; Q202-A206 WeakPolarHBondContact O-CB 3.46Å; Q202-A206 PolarHBondContact O-N 2.63Å
203R95.8Very high93.9Very high59 Ų5925.9 Ų25.922%0.22313%0.13CC..Hα-helixtrans-67.1-32.8174.5-62.9-170.6-178.8172.52.9112.3E39 D200 L201 L207 R224 Y226 V228E39-R203 IonicContact OE1-NH2 2.67Å; D200-R203 PolarHBondContact O-N 3.3Å; L201-R203 PolarHBondContact O-N 3.25Å; R203-L207 VanDerWaalsContact O-CB 3.3Å; R203-L207 WeakPolarHBondContact O-CB 3.36Å; R203-L207 PolarHBondContact O-N 3.24Å; R203-R224 VanDerWaalsContact CD-O 3.28Å; R203-R224 WeakPolarHBondContact CD-O 3.36Å; R203-R224 WeakPolarHBondContact CG-O 3.32Å; R203-R224 PolarHBondContact NE-O 3Å; R203-Y226 WeakPolarHBondContact CD-O 3.24Å; R203-Y226 PolarHBondContact NH1-O 3.44Å; R203-V228 VanDerWaalsContact NH1-CG2 3.28Å
204I96.7Very high93.2Very high3 Ų327.9 Ų27.92%0.01514%0.136CC..Hα-helixtrans-69-46170.9-60.5-174.1000110.2F161 L201 Q202 A206 L207 Y208 N250 R260 T405F161-I204 HydrophobicContact CE1-CG2 3.93Å; F161-I204 HydrophobicContact CZ-CB 4.35Å; F161-I204 HydrophobicContact CZ-CG2 4.05Å; L201-I204 HydrophobicContact CD1-CD1 4.27Å; L201-I204 WeakPolarHBondContact O-CB 3.36Å; L201-I204 PolarHBondContact O-N 3.01Å; Q202-I204 VanDerWaalsContact C-N 3.32Å; Q202-I204 PolarHBondContact O-N 2.78Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.17Å; I204-L207 WeakPolarHBondContact O-CB 3.24Å; I204-L207 PolarHBondContact O-N 3.49Å; I204-L207 VanDerWaalsContact O-N 3.14Å; I204-Y208 HydrophobicContact CG2-CD2 4.18Å; I204-Y208 HydrophobicContact CG2-CE1 4.05Å; I204-Y208 HydrophobicContact CG2-CE2 3.64Å; I204-Y208 PolarHBondContact O-N 3.47Å; I204-N250 HydrophobicContact CD1-CB 4.16Å; I204-R260 VanDerWaalsContact CD1-NH1 3.34Å; I204-T405 HydrophobicContact CD1-CG2 3.61Å
205F97.1Very high92.3Very high14 Ų1432.2 Ų32.26%0.06117%0.166CC..Hα-helixtrans-58.1-46.8177.5-173.6-85.6000112.1D86 V88 K122 V124 F161 I163 L201 Q202 L207 Y208 S209D86-F205 HydrophobicContact CB-CD2 3.98Å; D86-F205 HydrophobicContact CB-CE1 4.26Å; D86-F205 HydrophobicContact CB-CE2 3.66Å; D86-F205 HydrophobicContact CB-CG 4.42Å; D86-F205 HydrophobicContact CB-CZ 3.82Å; V88-F205 HydrophobicContact CG2-CD2 3.57Å; V88-F205 HydrophobicContact CG2-CE2 3.95Å; K122-F205 HydrophobicContact CB-CE1 4.11Å; K122-F205 HydrophobicContact CB-CZ 3.66Å; K122-F205 HydrophobicContact CD-CE1 4.34Å; V124-F205 HydrophobicContact CB-CE2 4.47Å; V124-F205 HydrophobicContact CG2-CD2 4.26Å; V124-F205 HydrophobicContact CG2-CE1 4.37Å; V124-F205 HydrophobicContact CG2-CE2 3.6Å; V124-F205 HydrophobicContact CG2-CZ 3.67Å; F161-F205 HydrophobicContact CE2-CB 4.12Å; F161-F205 HydrophobicContact CE2-CD2 4.19Å; F161-F205 HydrophobicContact CZ-CB 4.12Å; F161-F205 HydrophobicContact CZ-CD2 4.41Å; I163-F205 HydrophobicContact CD1-CB 4.22Å; L201-F205 PolarHBondContact O-N 2.89Å; Q202-F205 PolarHBondContact O-N 3.32Å; F205-L207 VanDerWaalsContact C-N 3.31Å; F205-L207 PolarHBondContact O-N 3.2Å; F205-Y208 PolarHBondContact O-N 3.39Å; F205-S209 WeakPolarHBondContact CE1-OG 3.38Å; F205-S209 WeakPolarHBondContact O-CB 3.18Å; F205-S209 PolarHBondContact O-N 2.61Å; F205-S209 PolarHBondContact O-OG 3.49Å
206A95.3Very high91.7Very high35 Ų3541.4 Ų41.429%0.28920%0.198SC..Hα-helixtrans-64.1-36.4176.600000111.5Q202 I204 S209 S210 L225Q202-A206 VanDerWaalsContact O-CB 3.27Å; Q202-A206 WeakPolarHBondContact O-CB 3.46Å; Q202-A206 PolarHBondContact O-N 2.63Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.17Å; A206-S209 PolarHBondContact O-N 3.19Å; A206-S210 WeakPolarHBondContact O-CB 3.49Å; A206-S210 PolarHBondContact O-N 3.19Å; A206-L225 HydrophobicContact CB-CD2 3.62Å
207L94.8Very high91.2Very high2 Ų242.3 Ų42.31%0.0120%0.204CC..Hα-helixtrans-60.8-52.6173.8-177.3155.2000110.8R203 I204 F205 S209 S210 L211 W221 L225 F255 P257R203-L207 VanDerWaalsContact O-CB 3.3Å; R203-L207 WeakPolarHBondContact O-CB 3.36Å; R203-L207 PolarHBondContact O-N 3.24Å; I204-L207 WeakPolarHBondContact O-CB 3.24Å; I204-L207 PolarHBondContact O-N 3.49Å; I204-L207 VanDerWaalsContact O-N 3.14Å; F205-L207 VanDerWaalsContact C-N 3.31Å; F205-L207 PolarHBondContact O-N 3.2Å; L207-S209 VanDerWaalsContact C-N 3.28Å; L207-S209 PolarHBondContact O-N 3.21Å; L207-S210 PolarHBondContact O-N 3.05Å; L207-S210 PolarHBondContact O-OG 2.9Å; L207-L211 HydrophobicContact CD2-CD1 4.15Å; L207-L211 PolarHBondContact O-N 3.3Å; L207-W221 HydrophobicContact CD1-CD2 4.44Å; L207-W221 HydrophobicContact CD1-CE3 4.43Å; L207-W221 HydrophobicContact CD1-CH2 4.18Å; L207-W221 HydrophobicContact CD1-CZ2 4.23Å; L207-W221 HydrophobicContact CD1-CZ3 4.31Å; L207-W221 HydrophobicContact CD2-CH2 3.95Å; L207-W221 HydrophobicContact CD2-CZ2 4.44Å; L207-W221 HydrophobicContact CD2-CZ3 4.43Å; L207-W221 HydrophobicContact CG-CE3 4.36Å; L207-W221 HydrophobicContact CG-CH2 3.81Å; L207-W221 HydrophobicContact CG-CZ2 4.34Å; L207-W221 HydrophobicContact CG-CZ3 3.84Å; L207-L225 HydrophobicContact CB-CD1 4.46Å; L207-L225 HydrophobicContact CB-CD2 4.36Å; L207-F255 WeakPolarHBondContact CD1-O 3.3Å; L207-F255 HydrophobicContact CD2-CB 3.93Å; L207-F255 HydrophobicContact CD2-CG 4.26Å; L207-P257 VanDerWaalsContact CD1-CD 3.45Å; L207-P257 HydrophobicContact CD1-CG 3.37Å
208Y94.6Very high90.7Very high0 Ų044.7 Ų44.70%022%0.219CC..Hα-helixtrans-61.1-41178.7-61.8-22.1000111.3V88 V124 M147 L157 F161 I204 F205 S210 L211 N250 A403 T405V88-Y208 HydrophobicContact CG1-CD2 3.94Å; V88-Y208 HydrophobicContact CG1-CE2 4Å; V88-Y208 HydrophobicContact CG2-CD2 4.12Å; V124-Y208 HydrophobicContact CG1-CD2 4.49Å; M147-Y208 HydrophobicContact CE-CD1 4.2Å; M147-Y208 HydrophobicContact SD-CD1 3.98Å; M147-Y208 HydrophobicContact SD-CG 4.19Å; L157-Y208 HydrophobicContact CD1-CD2 4.31Å; L157-Y208 HydrophobicContact CD1-CE2 4.03Å; F161-Y208 AromaticContact CE1-CE2 3.99Å; F161-Y208 HydrophobicContact CE1-CE2 3.99Å; I204-Y208 HydrophobicContact CG2-CD2 4.18Å; I204-Y208 HydrophobicContact CG2-CE1 4.05Å; I204-Y208 HydrophobicContact CG2-CE2 3.64Å; I204-Y208 PolarHBondContact O-N 3.47Å; F205-Y208 PolarHBondContact O-N 3.39Å; Y208-S210 PolarHBondContact O-N 3.34Å; Y208-L211 PolarHBondContact O-N 2.83Å; Y208-N250 PolarHBondContact OH-OD1 2.83Å; Y208-A403 HydrophobicContact CE1-CB 4.36Å; Y208-T405 PolarHBondContact OH-OG1 3.33Å
209S92.2Very high90.2Very high14 Ų1454.2 Ų54.210%0.09826%0.264CS..Hα-helixtrans-63.6-37.7176.5-64.50000113.2F205 A206 L207 L211 K212F205-S209 WeakPolarHBondContact CE1-OG 3.38Å; F205-S209 WeakPolarHBondContact O-CB 3.18Å; F205-S209 PolarHBondContact O-N 2.61Å; F205-S209 PolarHBondContact O-OG 3.49Å; A206-S209 PolarHBondContact O-N 3.19Å; L207-S209 VanDerWaalsContact C-N 3.28Å; L207-S209 PolarHBondContact O-N 3.21Å; S209-L211 PolarHBondContact O-N 3.2Å; S209-K212 WeakPolarHBondContact O-CB 3.4Å; S209-K212 PolarHBondContact O-N 3.22Å; S209-K212 VanDerWaalsContact O-N 3.11Å
210S90.5Very high89.8Confident25 Ų2558.9 Ų58.918%0.17529%0.294CS..Hα-helixtrans-66.2-17.7179.674.80000113.9A206 L207 Y208 K212A206-S210 WeakPolarHBondContact O-CB 3.49Å; A206-S210 PolarHBondContact O-N 3.19Å; L207-S210 PolarHBondContact O-N 3.05Å; L207-S210 PolarHBondContact O-OG 2.9Å; Y208-S210 PolarHBondContact O-N 3.34Å; S210-K212 VanDerWaalsContact C-N 3.25Å; S210-K212 PolarHBondContact O-N 3.22Å
211L88.6Confident89.5Confident1 Ų160.3 Ų60.31%0.00530%0.299CS..THydrogen-bonded Turntrans-841.6177.2-68.4174.4000113.2M147 Y152 L207 Y208 S209 F213 K214 W221 F255M147-L211 HydrophobicContact CE-CD1 3.43Å; M147-L211 VanDerWaalsContact CE-CD1 3.43Å; M147-L211 HydrophobicContact SD-CD1 4.2Å; Y152-L211 HydrophobicContact CE2-CB 4.42Å; Y152-L211 HydrophobicContact CE2-CD1 4.33Å; Y152-L211 PolarHBondContact OH-O 3.28Å; Y152-L211 VanDerWaalsContact OH-O 3.04Å; L207-L211 HydrophobicContact CD2-CD1 4.15Å; L207-L211 PolarHBondContact O-N 3.3Å; Y208-L211 PolarHBondContact O-N 2.83Å; S209-L211 PolarHBondContact O-N 3.2Å; L211-F213 PolarHBondContact O-N 3.08Å; L211-K214 PolarHBondContact O-N 2.81Å; L211-W221 HydrophobicContact CD1-CH2 4.15Å; L211-W221 HydrophobicContact CD2-CH2 3.8Å; L211-W221 HydrophobicContact CD2-CZ3 4.3Å; L211-W221 HydrophobicContact CG-CH2 4.08Å; L211-F255 HydrophobicContact CD1-CD1 4Å; L211-F255 HydrophobicContact CD1-CE1 3.71Å; L211-F255 HydrophobicContact CD1-CZ 4.22Å
212K85.7Confident89.1Confident62 Ų6263.2 Ų63.227%0.2732%0.319SS..THydrogen-bonded Turntrans-55.7128.4172-166.2-177.1-171.2167.80110.1E143 T145 S209 S210 K214E143-K212 IonicContact OE1-NZ 2.69Å; E143-K212 PolarHBondContact OE1-NZ 3.38Å; T145-K212 HydrophobicContact CG2-CB 3.74Å; T145-K212 HydrophobicContact CG2-CD 4.01Å; T145-K212 HydrophobicContact CG2-CG 3.85Å; S209-K212 WeakPolarHBondContact O-CB 3.4Å; S209-K212 PolarHBondContact O-N 3.22Å; S209-K212 VanDerWaalsContact O-N 3.11Å; S210-K212 VanDerWaalsContact C-N 3.25Å; S210-K212 PolarHBondContact O-N 3.22Å; K212-K214 PolarHBondContact O-N 3.16Å; K212-K214 VanDerWaalsContact O-N 3.1Å
213F77.5Confident88.8Confident190 Ų19069.5 Ų69.583%0.83335%0.346SS*.THydrogen-bonded Turntrans60.212.8-179-47.7-60000116.1L211L211-F213 PolarHBondContact O-N 3.08Å
214K80.6Confident88.5Confident102 Ų10273.1 Ų73.144%0.44336%0.36SS..  trans-88.2143.9173.4-55.5-66-177.7174.80109.5Y152 L211 K212Y152-K214 WeakPolarHBondContact OH-CB 3.49Å; Y152-K214 PolarHBondContact OH-O 3.2Å; L211-K214 PolarHBondContact O-N 2.81Å; K212-K214 PolarHBondContact O-N 3.16Å; K212-K214 VanDerWaalsContact O-N 3.1Å
215S79.4Confident88.3Confident91 Ų9173.9 Ų73.964%0.63636%0.364SS*.SBendtrans-102.7-12.517457.90000112.5
216R83.4Confident88.1Confident207 Ų20776.1 Ų76.178%0.78137%0.372SS*.SBendtrans-141.6151.7175.5-62.4-176.2-176.4179.71.2110.1
217V85.8Confident88Confident24 Ų2474.6 Ų74.615%0.14536%0.36CS..  trans-74.3135.8175.2-172.70000109.3Y152 W221 L254 F255Y152-V217 HydrophobicContact CD1-CG2 3.66Å; Y152-V217 HydrophobicContact CD2-CG2 4.41Å; Y152-V217 HydrophobicContact CE1-CG2 4.18Å; Y152-V217 HydrophobicContact CG-CG2 3.79Å; V217-W221 HydrophobicContact CG1-CH2 3.9Å; V217-W221 HydrophobicContact CG1-CZ2 3.37Å; V217-L254 HydrophobicContact CB-CD1 3.92Å; V217-L254 HydrophobicContact CB-CD2 4.27Å; V217-L254 HydrophobicContact CB-CG 4.02Å; V217-L254 HydrophobicContact CG1-CD1 3.96Å; V217-L254 HydrophobicContact CG1-CG 3.98Å; V217-L254 HydrophobicContact CG2-CD1 4.13Å; V217-L254 HydrophobicContact CG2-CD2 3.54Å; V217-L254 HydrophobicContact CG2-CG 3.72Å; V217-F255 HydrophobicContact CG1-CD1 4.24Å; V217-F255 HydrophobicContact CG1-CE1 4.26Å; V217-F255 HydrophobicContact CG2-CD1 4.35Å; V217-F255 HydrophobicContact CG2-CE1 3.57Å; V217-F255 HydrophobicContact CG2-CZ 4.47Å
218P86.7Confident88Confident52 Ų5274.8 Ų74.834%0.33836%0.362SS..  trans-55.6140.8174.5-24.534.3000111.5T220 W221P218-T220 VanDerWaalsContact CB-O 3.31Å; P218-T220 WeakPolarHBondContact CB-O 3.4Å; P218-T220 PolarHBondContact O-N 2.98Å; P218-W221 HydrophobicContact CG-CE3 4.43Å; P218-W221 HydrophobicContact CG-CZ3 4.2Å
219Q85.4Confident88.1Confident200 Ų20075.7 Ų75.794%0.93537%0.365SS*.SBendtrans-68.2-27.3173.4-70.6-150.4-22.100112.5
220T86.7Confident88.3Confident120 Ų12076.1 Ų76.174%0.73637%0.366SS*.SBendtrans-131139.317656.40000109.6P218P218-T220 VanDerWaalsContact CB-O 3.31Å; P218-T220 WeakPolarHBondContact CB-O 3.4Å; P218-T220 PolarHBondContact O-N 2.98Å
221W89.3Confident88.4Confident30 Ų3077.7 Ų77.711%0.11437%0.372CS..  trans-95.1144.9176.6-65.5105.1000110.4L207 L211 V217 P218 L225 Y226 F255 P257L207-W221 HydrophobicContact CD1-CD2 4.44Å; L207-W221 HydrophobicContact CD1-CE3 4.43Å; L207-W221 HydrophobicContact CD1-CH2 4.18Å; L207-W221 HydrophobicContact CD1-CZ2 4.23Å; L207-W221 HydrophobicContact CD1-CZ3 4.31Å; L207-W221 HydrophobicContact CD2-CH2 3.95Å; L207-W221 HydrophobicContact CD2-CZ2 4.44Å; L207-W221 HydrophobicContact CD2-CZ3 4.43Å; L207-W221 HydrophobicContact CG-CE3 4.36Å; L207-W221 HydrophobicContact CG-CH2 3.81Å; L207-W221 HydrophobicContact CG-CZ2 4.34Å; L207-W221 HydrophobicContact CG-CZ3 3.84Å; L211-W221 HydrophobicContact CD1-CH2 4.15Å; L211-W221 HydrophobicContact CD2-CH2 3.8Å; L211-W221 HydrophobicContact CD2-CZ3 4.3Å; L211-W221 HydrophobicContact CG-CH2 4.08Å; V217-W221 HydrophobicContact CG1-CH2 3.9Å; V217-W221 HydrophobicContact CG1-CZ2 3.37Å; P218-W221 HydrophobicContact CG-CE3 4.43Å; P218-W221 HydrophobicContact CG-CZ3 4.2Å; W221-L225 HydrophobicContact CE3-CD1 3.67Å; W221-L225 HydrophobicContact CZ3-CD1 4.18Å; W221-Y226 HydrophobicContact CB-CE1 4.25Å; W221-Y226 WeakPolarHBondContact O-CE1 3.39Å; W221-F255 HydrophobicContact CZ2-CD1 4.22Å; W221-P257 HydrophobicContact CB-CB 3.91Å; W221-P257 HydrophobicContact CB-CG 4.06Å; W221-P257 HydrophobicContact CD2-CG 4.17Å; W221-P257 HydrophobicContact CG-CB 3.99Å; W221-P257 HydrophobicContact CG-CG 3.77Å
222S90.1Very high88.7Confident62 Ų6286 Ų8643%0.43441%0.411SS..  trans-56.1142.5169.5176.20000110.5R224 L225 Y226S222-R224 PolarHBondContact O-N 3.35Å; S222-R224 VanDerWaalsContact O-N 3.09Å; S222-R224 PolarHBondContact OG-N 3.23Å; S222-L225 WeakPolarHBondContact O-CB 3.28Å; S222-L225 PolarHBondContact O-N 3.14Å; S222-Y226 WeakPolarHBondContact O-CD1 3.37Å
223K89.1Confident89.2Confident166 Ų16688.7 Ų88.772%0.72242%0.423SS*.G310 helixtrans-57.1-25.9176.3-66.7-176.7-179.9177.20112.5L225 Y226K223-L225 PolarHBondContact O-N 2.87Å; K223-Y226 HydrophobicContact CB-CD2 4.37Å; K223-Y226 HydrophobicContact CB-CE2 4.25Å; K223-Y226 HydrophobicContact CG-CD2 4.4Å; K223-Y226 HydrophobicContact CG-CE2 3.81Å; K223-Y226 WeakPolarHBondContact O-CB 3.48Å; K223-Y226 PolarHBondContact O-N 2.89Å
224R88.8Confident90.1Very high135 Ų13581.1 Ų81.151%0.50939%0.39SS..G310 helixtrans-64.2-20.3176.2-63.7-174.5-179.8178-2113R203 S222R203-R224 VanDerWaalsContact CD-O 3.28Å; R203-R224 WeakPolarHBondContact CD-O 3.36Å; R203-R224 WeakPolarHBondContact CG-O 3.32Å; R203-R224 PolarHBondContact NE-O 3Å; S222-R224 PolarHBondContact O-N 3.35Å; S222-R224 VanDerWaalsContact O-N 3.09Å; S222-R224 PolarHBondContact OG-N 3.23Å
225L91.9Very high90.9Very high20 Ų2076.6 Ų76.611%0.10537%0.37CS..G310 helixtrans-98.6-2.2-179.8-58.2177.9000113.4A206 L207 W221 S222 K223 P257A206-L225 HydrophobicContact CB-CD2 3.62Å; L207-L225 HydrophobicContact CB-CD1 4.46Å; L207-L225 HydrophobicContact CB-CD2 4.36Å; W221-L225 HydrophobicContact CE3-CD1 3.67Å; W221-L225 HydrophobicContact CZ3-CD1 4.18Å; S222-L225 WeakPolarHBondContact O-CB 3.28Å; S222-L225 PolarHBondContact O-N 3.14Å; K223-L225 PolarHBondContact O-N 2.87Å; L225-P257 HydrophobicContact CB-CG 4.23Å; L225-P257 WeakPolarHBondContact O-CB 3.27Å; L225-P257 WeakPolarHBondContact O-CG 3.36Å
226Y94Very high91.7Very high60 Ų6077.2 Ų77.224%0.23536%0.363CS..SBendtrans-64.2151179.6-70.12.9000110.9R203 W221 S222 K223 P257 K258R203-Y226 WeakPolarHBondContact CD-O 3.24Å; R203-Y226 PolarHBondContact NH1-O 3.44Å; W221-Y226 HydrophobicContact CB-CE1 4.25Å; W221-Y226 WeakPolarHBondContact O-CE1 3.39Å; S222-Y226 WeakPolarHBondContact O-CD1 3.37Å; K223-Y226 HydrophobicContact CB-CD2 4.37Å; K223-Y226 HydrophobicContact CB-CE2 4.25Å; K223-Y226 HydrophobicContact CG-CD2 4.4Å; K223-Y226 HydrophobicContact CG-CE2 3.81Å; K223-Y226 WeakPolarHBondContact O-CB 3.48Å; K223-Y226 PolarHBondContact O-N 2.89Å; Y226-P257 HydrophobicContact CD1-CB 3.79Å; Y226-P257 HydrophobicContact CE1-CB 4.39Å; Y226-K258 CarbonylContact C-O 3.52Å; Y226-K258 WeakPolarHBondContact CA-O 3.27Å; Y226-K258 WeakPolarHBondContact CB-O 3.28Å; Y226-K258 HydrophobicContact CD1-CB 4Å; Y226-K258 HydrophobicContact CD2-CB 3.85Å; Y226-K258 HydrophobicContact CD2-CD 4.41Å; Y226-K258 HydrophobicContact CE1-CB 4.01Å; Y226-K258 HydrophobicContact CE2-CB 3.84Å; Y226-K258 HydrophobicContact CE2-CD 4.04Å; Y226-K258 HydrophobicContact CG-CB 3.94Å
227G93.7Very high92.3Very high4 Ų467.8 Ų67.84%0.04133%0.328CS..  trans-62.3142.4173.800000111.7K258 N259G227-K258 PolarHBondContact N-O 3.29Å; G227-N259 VanDerWaalsContact CA-O 3.3Å; G227-N259 WeakPolarHBondContact CA-O 3.1Å
228V94.6Very high92.8Very high6 Ų669.8 Ų69.84%0.03634%0.336CS..SBendtrans-81.5-41.9169.8-174.90000109.8E39 D200 R203E39-V228 HydrophobicContact CG-CG1 3.77Å; D200-V228 HydrophobicContact CB-CB 3.98Å; D200-V228 HydrophobicContact CB-CG2 3.98Å; D200-V228 PolarHBondContact OD1-N 3.11Å; R203-V228 VanDerWaalsContact NH1-CG2 3.28Å
229Y96.2Very high93.2Very high19 Ų1967.3 Ų67.38%0.07532%0.32CS..  trans-127.2150.1-177.3-50-69.9000110.1D200 K233 L235D200-Y229 HydrophobicContact CB-CD2 3.86Å; D200-Y229 HydrophobicContact CB-CE2 4.26Å; Y229-K233 VanDerWaalsContact CA-O 3.29Å; Y229-K233 WeakPolarHBondContact CA-O 3.45Å; Y229-K233 WeakPolarHBondContact CB-O 3.23Å; Y229-L235 HydrophobicContact CD1-CB 3.74Å; Y229-L235 HydrophobicContact CD2-CB 3.79Å; Y229-L235 HydrophobicContact CE1-CB 3.83Å; Y229-L235 HydrophobicContact CE1-CD1 3.89Å; Y229-L235 HydrophobicContact CE1-CG 4.42Å; Y229-L235 HydrophobicContact CE2-CB 3.87Å; Y229-L235 HydrophobicContact CE2-CD1 3.98Å; Y229-L235 HydrophobicContact CE2-CD2 4.16Å; Y229-L235 HydrophobicContact CE2-CG 4.2Å; Y229-L235 HydrophobicContact CG-CB 3.73Å; Y229-L235 WeakPolarHBondContact OH-CD1 3.39Å
230D95.9Very high93.6Very high22 Ų2259.4 Ų59.412%0.11828%0.284CS..  trans-145.8-172.117757.136000110.1E232 K233 K234 S261D230-E232 PolarHBondContact O-N 3.2Å; D230-E232 WeakPolarHBondContact OD1-CA 3.27Å; D230-E232 PolarHBondContact OD1-N 3.16Å; D230-K233 PolarHBondContact N-O 3.07Å; D230-K233 CarbonylContact O-C 3.53Å; D230-K233 PolarHBondContact OD1-N 3.47Å; D230-K234 WeakPolarHBondContact O-CG 3.37Å; D230-K234 PolarHBondContact O-N 3.48Å; D230-S261 WeakPolarHBondContact CA-OG 3.34Å; D230-S261 WeakPolarHBondContact CB-OG 3.24Å
231N94.1Very high93.8Very high58 Ų5860.1 Ų60.131%0.3128%0.279SS..SBendtrans-63.7-2317962.8-25.8000113.6K234 F247 S261N231-K234 WeakPolarHBondContact O-CE 3.19Å; N231-F247 HydrophobicContact CB-CE1 4.3Å; N231-F247 HydrophobicContact CB-CE2 4.05Å; N231-F247 HydrophobicContact CB-CZ 3.77Å; N231-S261 PolarHBondContact N-OG 2.7Å; N231-S261 PolarHBondContact OD1-OG 3.02Å
232E94.3Very high93.9Very high176 Ų17659.1 Ų59.182%0.82228%0.276SS*.SBendtrans-91.8-51.1177-62.6-177.7-178.100111D230D230-E232 PolarHBondContact O-N 3.2Å; D230-E232 WeakPolarHBondContact OD1-CA 3.27Å; D230-E232 PolarHBondContact OD1-N 3.16Å
233K95.7Very high94.1Very high118 Ų11864.7 Ų64.751%0.51329%0.293SS..SBendtrans-101.675177.8-170-165.6171.8-159.60110.4E39 Y229 D230E39-K233 IonicContact OE2-NZ 2.63Å; Y229-K233 VanDerWaalsContact CA-O 3.29Å; Y229-K233 WeakPolarHBondContact CA-O 3.45Å; Y229-K233 WeakPolarHBondContact CB-O 3.23Å; D230-K233 PolarHBondContact N-O 3.07Å; D230-K233 CarbonylContact O-C 3.53Å; D230-K233 PolarHBondContact OD1-N 3.47Å
234K96.8Very high94.5Very high31 Ų3157 Ų5714%0.13526%0.26CS..PPolyproline II helixtrans-72.5142.9178.4-53.6-179.6-177.3-179.30112.1D230 N231 Q236 Q245 F247 D273 N410D230-K234 WeakPolarHBondContact O-CG 3.37Å; D230-K234 PolarHBondContact O-N 3.48Å; N231-K234 WeakPolarHBondContact O-CE 3.19Å; K234-Q236 PolarHBondContact O-N 3.34Å; K234-Q236 PolarHBondContact O-NE2 2.87Å; K234-Q236 VanDerWaalsContact O-NE2 3.15Å; K234-Q245 HydrophobicContact CB-CB 3.95Å; K234-Q245 HydrophobicContact CD-CB 4.16Å; K234-F247 HydrophobicContact CD-CD1 4.18Å; K234-F247 HydrophobicContact CD-CE1 4.29Å; K234-F247 HydrophobicContact CG-CD1 3.87Å; K234-F247 HydrophobicContact CG-CE1 4.34Å; K234-D273 IonicContact NZ-OD2 3.87Å; K234-N410 PolarHBondContact NZ-OD1 3.33Å
235L97.2Very high94.9Very high7 Ų753.8 Ų53.84%0.03725%0.251CS..EExtended strand (participates in β ladder)trans-62.1125.4170.9169.461.3000109.5C196 L197 Y229 L237 Q245 A246C196-L235 HydrophobicContact CB-CD1 3.73Å; C196-L235 HydrophobicContact CB-CD2 3.98Å; L197-L235 HydrophobicContact CB-CD2 4.1Å; Y229-L235 HydrophobicContact CD1-CB 3.74Å; Y229-L235 HydrophobicContact CD2-CB 3.79Å; Y229-L235 HydrophobicContact CE1-CB 3.83Å; Y229-L235 HydrophobicContact CE1-CD1 3.89Å; Y229-L235 HydrophobicContact CE1-CG 4.42Å; Y229-L235 HydrophobicContact CE2-CB 3.87Å; Y229-L235 HydrophobicContact CE2-CD1 3.98Å; Y229-L235 HydrophobicContact CE2-CD2 4.16Å; Y229-L235 HydrophobicContact CE2-CG 4.2Å; Y229-L235 HydrophobicContact CG-CB 3.73Å; Y229-L235 WeakPolarHBondContact OH-CD1 3.39Å; L235-L237 HydrophobicContact CB-CD2 4.48Å; L235-L237 HydrophobicContact CD2-CD1 4.43Å; L235-L237 HydrophobicContact CD2-CD2 4.24Å; L235-L237 HydrophobicContact CG-CB 4.32Å; L235-L237 HydrophobicContact CG-CD2 3.98Å; L235-L237 VanDerWaalsContact O-CD2 3.27Å; L235-L237 WeakPolarHBondContact O-CD2 3.27Å; L235-Q245 CarbonylContact O-C 3.55Å; L235-Q245 WeakPolarHBondContact O-CA 3.35Å; L235-A246 VanDerWaalsContact CB-O 3.26Å; L235-A246 WeakPolarHBondContact CB-O 3.38Å; L235-A246 PolarHBondContact N-O 3.35Å; L235-A246 PolarHBondContact O-N 3.23Å
236Q96.9Very high95.2Very high104 Ų10452.8 Ų52.849%0.48625%0.246SC..EExtended strand (participates in β ladder)trans-87.9122.6171-53.8-58.3-54.400109.6N44 K234 Q245N44-Q236 PolarHBondContact ND2-O 3.02Å; K234-Q236 PolarHBondContact O-N 3.34Å; K234-Q236 PolarHBondContact O-NE2 2.87Å; K234-Q236 VanDerWaalsContact O-NE2 3.15Å; Q236-Q245 VanDerWaalsContact CD-NE2 3.33Å
237L96.1Very high95.4Very high10 Ų1050 Ų505%0.05223%0.234CC..EExtended strand (participates in β ladder)trans-146.9165.6-176.570.7160.8000112.6N44 F191 L235 L239 S244 A246N44-L237 HydrophobicContact CB-CB 4.16Å; N44-L237 CarbonylContact O-C 3.55Å; N44-L237 VanDerWaalsContact O-CA 3.32Å; N44-L237 WeakPolarHBondContact O-CA 3.48Å; N44-L237 VanDerWaalsContact O-CB 3.25Å; N44-L237 WeakPolarHBondContact O-CB 3.41Å; F191-L237 HydrophobicContact CE1-CD1 4.44Å; L235-L237 HydrophobicContact CB-CD2 4.48Å; L235-L237 HydrophobicContact CD2-CD1 4.43Å; L235-L237 HydrophobicContact CD2-CD2 4.24Å; L235-L237 HydrophobicContact CG-CB 4.32Å; L235-L237 HydrophobicContact CG-CD2 3.98Å; L235-L237 VanDerWaalsContact O-CD2 3.27Å; L235-L237 WeakPolarHBondContact O-CD2 3.27Å; L237-L239 HydrophobicContact CD1-CD1 4.21Å; L237-L239 HydrophobicContact CD1-CD2 3.37Å; L237-L239 HydrophobicContact CD1-CG 3.76Å; L237-L239 HydrophobicContact CG-CD2 4.15Å; L237-L239 HydrophobicContact CG-CG 4.05Å; L237-S244 PolarHBondContact N-O 3.39Å; L237-S244 PolarHBondContact O-N 3.43Å; L237-A246 HydrophobicContact CD2-CB 3.71Å
238Q95.1Very high95.6Very high65 Ų6549.9 Ų49.930%0.30423%0.233SC..EExtended strand (participates in β ladder)trans-111.4118.8173-168.8176.319.900108.7N44 K45 C46 E241 T242N44-Q238 PolarHBondContact O-N 2.96Å; K45-Q238 HydrophobicContact CG-CB 4.39Å; C46-Q238 PolarHBondContact N-O 3.16Å; Q238-E241 VanDerWaalsContact CG-C 3.46Å; Q238-E241 VanDerWaalsContact NE2-CA 3.29Å; Q238-E241 PolarHBondContact NE2-O 3.4Å; Q238-T242 CarbonylContact C-O 3.55Å; Q238-T242 WeakPolarHBondContact CA-O 3.44Å
239L96Very high95.8Very high0 Ų049.6 Ų49.60%023%0.232CC..EExtended strand (participates in β ladder)trans-112.3113.4-179.3-66.2-175.9000109.9C46 I48 F191 L237 E241 T242 I409C46-L239 HydrophobicContact CB-CD2 3.8Å; C46-L239 WeakPolarHBondContact O-CA 3.45Å; I48-L239 HydrophobicContact CB-CD2 4.23Å; I48-L239 HydrophobicContact CD1-CD1 4.15Å; I48-L239 HydrophobicContact CG2-CB 3.88Å; I48-L239 HydrophobicContact CG2-CD1 4.38Å; I48-L239 HydrophobicContact CG2-CD2 4.38Å; I48-L239 HydrophobicContact CG2-CG 4.45Å; F191-L239 HydrophobicContact CD1-CD2 3.88Å; F191-L239 HydrophobicContact CE1-CD1 4.01Å; F191-L239 HydrophobicContact CE1-CD2 3.72Å; L237-L239 HydrophobicContact CD1-CD1 4.21Å; L237-L239 HydrophobicContact CD1-CD2 3.37Å; L237-L239 HydrophobicContact CD1-CG 3.76Å; L237-L239 HydrophobicContact CG-CD2 4.15Å; L237-L239 HydrophobicContact CG-CG 4.05Å; L239-E241 PolarHBondContact O-N 2.96Å; L239-T242 PolarHBondContact N-O 2.84Å; L239-T242 WeakPolarHBondContact O-CA 3.11Å; L239-T242 WeakPolarHBondContact O-CB 3.34Å; L239-T242 PolarHBondContact O-N 3.26Å; L239-T242 PolarHBondContact O-OG1 3.1Å; L239-I409 HydrophobicContact CD1-CG2 3.87Å
240N93.9Very high95.8Very high34 Ų3448.8 Ų48.818%0.18223%0.228CC..THydrogen-bonded Turntrans49.647.5-175.9-60.1-15.7000111.5C46 R47 I48 T242 R418C46-N240 PolarHBondContact O-N 2.97Å; R47-N240 WeakPolarHBondContact CA-OD1 3.06Å; R47-N240 VanDerWaalsContact CG-OD1 3.29Å; R47-N240 WeakPolarHBondContact CG-OD1 3.29Å; I48-N240 WeakPolarHBondContact CG2-ND2 3.4Å; I48-N240 PolarHBondContact N-OD1 3.43Å; I48-N240 PolarHBondContact O-ND2 3.43Å; I48-N240 PolarHBondContact O-OD1 2.96Å; N240-T242 PolarHBondContact O-N 3.21Å; N240-T242 VanDerWaalsContact O-N 3.14Å; N240-R418 HydrophobicContact CB-CB 4.32Å
241E89.4Confident95.8Very high136 Ų13647.9 Ų47.964%0.63622%0.224SC*.THydrogen-bonded Turntrans68.8-2.3-175.4-58.7168.5-164.500115.9Q238 L239 R418Q238-E241 VanDerWaalsContact CG-C 3.46Å; Q238-E241 VanDerWaalsContact NE2-CA 3.29Å; Q238-E241 PolarHBondContact NE2-O 3.4Å; L239-E241 PolarHBondContact O-N 2.96Å; E241-R418 IonicContact OE1-NH1 3.51Å; E241-R418 IonicContact OE2-CZ 3.51Å; E241-R418 IonicContact OE2-NH1 2.8Å; E241-R418 PolarHBondContact OE2-NH1 3.33Å
242T92.1Very high95.8Very high9 Ų945.2 Ų45.26%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-91.6126.7-179.7-50.60000111.2Q238 L239 N240 S244 Q411 D413Q238-T242 CarbonylContact C-O 3.55Å; Q238-T242 WeakPolarHBondContact CA-O 3.44Å; L239-T242 PolarHBondContact N-O 2.84Å; L239-T242 WeakPolarHBondContact O-CA 3.11Å; L239-T242 WeakPolarHBondContact O-CB 3.34Å; L239-T242 PolarHBondContact O-N 3.26Å; L239-T242 PolarHBondContact O-OG1 3.1Å; N240-T242 PolarHBondContact O-N 3.21Å; N240-T242 VanDerWaalsContact O-N 3.14Å; T242-S244 PolarHBondContact O-N 3Å; T242-S244 PolarHBondContact O-OG 2.75Å; T242-Q411 HydrophobicContact CG2-CB 4.42Å; T242-D413 HydrophobicContact CG2-CB 4.35Å
243K94.7Very high95.6Very high178 Ų17844 Ų4477%0.77420%0.202SC*.EExtended strand (participates in β ladder)trans-62.1123.2173.3-69.1-175.6-178.4179.10109.9
244S96.8Very high95.4Very high4 Ų442 Ų423%0.02820%0.196CC..EExtended strand (participates in β ladder)trans-140.3159.2-170.7-50.30000110.4L237 T242 N410 Q411L237-S244 PolarHBondContact N-O 3.39Å; L237-S244 PolarHBondContact O-N 3.43Å; T242-S244 PolarHBondContact O-N 3Å; T242-S244 PolarHBondContact O-OG 2.75Å; S244-N410 CarbonylContact C-O 3.57Å; S244-N410 VanDerWaalsContact CA-O 3.26Å; S244-N410 WeakPolarHBondContact CA-O 3.3Å; S244-Q411 PolarHBondContact OG-NE2 3.34Å
245Q97.7Very high95.1Very high68 Ų6840.6 Ų40.632%0.31819%0.19SC..EExtended strand (participates in β ladder)trans-124145.8169.1-50.4179.2-40.100109K234 L235 Q236 I409 N410K234-Q245 HydrophobicContact CB-CB 3.95Å; K234-Q245 HydrophobicContact CD-CB 4.16Å; L235-Q245 CarbonylContact O-C 3.55Å; L235-Q245 WeakPolarHBondContact O-CA 3.35Å; Q236-Q245 VanDerWaalsContact CD-NE2 3.33Å; Q245-I409 CarbonylContact O-C 3.5Å; Q245-I409 WeakPolarHBondContact O-CA 3.49Å; Q245-N410 HydrophobicContact CB-CB 4.21Å; Q245-N410 PolarHBondContact N-O 3.33Å; Q245-N410 PolarHBondContact O-N 3.04Å
246A98.1Very high94.8Very high0 Ų041 Ų410%019%0.193CC..EExtended strand (participates in β ladder)trans-146.8156.8176.600000112.2L235 L237 L407 V408L235-A246 VanDerWaalsContact CB-O 3.26Å; L235-A246 WeakPolarHBondContact CB-O 3.38Å; L235-A246 PolarHBondContact N-O 3.35Å; L235-A246 PolarHBondContact O-N 3.23Å; L237-A246 HydrophobicContact CD2-CB 3.71Å; A246-L407 HydrophobicContact CB-CD1 4.43Å; A246-V408 WeakPolarHBondContact CA-O 3.3Å; A246-V408 WeakPolarHBondContact CB-O 3.48Å
247F98.2Very high94.6Very high0 Ų036.5 Ų36.50%017%0.173CC..EExtended strand (participates in β ladder)trans-155.5158.516765.7-83.7000109.3N231 K234 A266 V408N231-F247 HydrophobicContact CB-CE1 4.3Å; N231-F247 HydrophobicContact CB-CE2 4.05Å; N231-F247 HydrophobicContact CB-CZ 3.77Å; K234-F247 HydrophobicContact CD-CD1 4.18Å; K234-F247 HydrophobicContact CD-CE1 4.29Å; K234-F247 HydrophobicContact CG-CD1 3.87Å; K234-F247 HydrophobicContact CG-CE1 4.34Å; F247-A266 HydrophobicContact CE2-CB 3.77Å; F247-A266 HydrophobicContact CZ-CB 4.12Å; F247-V408 HydrophobicContact CD1-CB 3.95Å; F247-V408 HydrophobicContact CD1-CG1 4.26Å; F247-V408 HydrophobicContact CE1-CB 3.46Å; F247-V408 VanDerWaalsContact CE1-CB 3.46Å; F247-V408 HydrophobicContact CE1-CG1 3.54Å; F247-V408 HydrophobicContact CE1-CG2 4Å; F247-V408 HydrophobicContact CE2-CB 4.24Å; F247-V408 HydrophobicContact CE2-CG2 4.07Å; F247-V408 HydrophobicContact CZ-CB 3.63Å; F247-V408 HydrophobicContact CZ-CG1 3.98Å; F247-V408 HydrophobicContact CZ-CG2 3.6Å; F247-V408 PolarHBondContact N-O 2.98Å; F247-V408 VanDerWaalsContact N-O 3.16Å; F247-V408 PolarHBondContact O-N 3.43Å
248V98.1Very high94.4Very high3 Ų342.5 Ų42.52%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-112.5135.2179.5-80.70000110.7L197 D200 L201 R260 G406 L407L197-V248 HydrophobicContact CD1-CG1 4.1Å; D200-V248 HydrophobicContact CB-CG2 4.14Å; D200-V248 VanDerWaalsContact OD2-CG2 3.29Å; D200-V248 WeakPolarHBondContact OD2-CG2 3.26Å; L201-V248 HydrophobicContact CD1-CG1 4.2Å; V248-R260 VanDerWaalsContact O-CD 3.31Å; V248-R260 WeakPolarHBondContact O-CD 3.21Å; V248-R260 PolarHBondContact O-NH1 2.59Å; V248-G406 CarbonylContact C-O 3.59Å; V248-G406 VanDerWaalsContact CA-O 3.23Å; V248-G406 WeakPolarHBondContact CA-O 3.24Å; V248-L407 HydrophobicContact CG1-CB 4.41Å; V248-L407 HydrophobicContact CG1-CD1 3.82Å
249S97.7Very high94.4Very high0 Ų043.5 Ų43.50%021%0.206CC..EExtended strand (participates in β ladder)trans-106.6161.3-179.946.30000111.6S261 D263 T405 G406S249-S261 VanDerWaalsContact CA-O 3.32Å; S249-S261 WeakPolarHBondContact CA-O 3.33Å; S249-S261 WeakPolarHBondContact CB-O 3.22Å; S249-D263 PolarHBondContact OG-OD1 3.23Å; S249-T405 WeakPolarHBondContact O-CA 3.29Å; S249-T405 WeakPolarHBondContact O-CG2 3.48Å; S249-G406 PolarHBondContact N-O 3.02Å; S249-G406 PolarHBondContact O-N 3.01Å; S249-G406 VanDerWaalsContact O-N 3.08Å; S249-G406 VanDerWaalsContact OG-CA 3.24Å; S249-G406 WeakPolarHBondContact OG-CA 3.46Å; S249-G406 PolarHBondContact OG-N 3.5Å; S249-G406 PolarHBondContact OG-O 3.49Å
250N96.6Very high94.4Very high1 Ų144.1 Ų44.11%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-134.1158.8176.6-16128000111.1I204 Y208 F255 C256 R260 S261 F262 D263 G404I204-N250 HydrophobicContact CD1-CB 4.16Å; Y208-N250 PolarHBondContact OH-OD1 2.83Å; N250-F255 PolarHBondContact ND2-O 2.84Å; N250-C256 VanDerWaalsContact C-SG 3.55Å; N250-C256 PolarHBondContact O-SG 2.88Å; N250-R260 HydrophobicContact CB-CG 4.07Å; N250-S261 PolarHBondContact N-O 2.73Å; N250-S261 VanDerWaalsContact N-O 3.12Å; N250-F262 WeakPolarHBondContact O-CA 3.28Å; N250-D263 PolarHBondContact O-N 2.99Å; N250-G404 WeakPolarHBondContact CA-O 3.42Å; N250-G404 PolarHBondContact OD1-O 2.88Å
251S95.7Very high94.5Very high3 Ų342.8 Ų42.82%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-142.1161.2172.8-84.90000111.1D263 N402 A403 G404S251-D263 WeakPolarHBondContact OG-CB 3.41Å; S251-N402 CarbonylContact C-O 3.57Å; S251-A403 WeakPolarHBondContact O-CA 3.05Å; S251-G404 PolarHBondContact N-O 2.85Å; S251-G404 PolarHBondContact O-N 3.41Å
252P94.4Very high94.8Very high3 Ų338.9 Ų38.92%0.01918%0.183CC..SBendcis-76.3-178.4-1025.5-14.7000109.9N153 L254 F255 C256 T400 N402N153-P252 VanDerWaalsContact ND2-CG 3.28Å; N153-P252 WeakPolarHBondContact ND2-CG 3.31Å; P252-L254 HydrophobicContact CG-CB 4.42Å; P252-L254 PolarHBondContact O-N 2.81Å; P252-F255 HydrophobicContact CG-CD2 4.32Å; P252-F255 HydrophobicContact CG-CE2 4.32Å; P252-F255 PolarHBondContact O-N 2.82Å; P252-C256 PolarHBondContact O-SG 3.47Å; P252-C256 VanDerWaalsContact O-SG 3.36Å; P252-T400 WeakPolarHBondContact CB-O 3.34Å; P252-N402 VanDerWaalsContact CD-O 3.23Å; P252-N402 WeakPolarHBondContact CD-O 3.38Å
253K91.3Very high95Very high151 Ų15138.4 Ų38.466%0.65718%0.18SC*.G310 helixtrans-49.2-31.8177-178.1168.4-176.4174.10113.4F255 C256 F262K253-F255 PolarHBondContact O-N 2.92Å; K253-C256 PolarHBondContact O-N 3.39Å; K253-F262 HydrophobicContact CD-CD2 4.47Å; K253-F262 HydrophobicContact CD-CE2 3.8Å; K253-F262 HydrophobicContact CD-CZ 3.98Å; K253-F262 HydrophobicContact CG-CD2 4.47Å; K253-F262 HydrophobicContact CG-CE1 4.03Å; K253-F262 HydrophobicContact CG-CE2 3.91Å; K253-F262 HydrophobicContact CG-CZ 3.66Å
254L90.2Very high95.1Very high76 Ų7631.1 Ų31.140%0.39815%0.15SC..G310 helixtrans-60.1-28.5176.6-173.960.5000113.6V217 P252V217-L254 HydrophobicContact CB-CD1 3.92Å; V217-L254 HydrophobicContact CB-CD2 4.27Å; V217-L254 HydrophobicContact CB-CG 4.02Å; V217-L254 HydrophobicContact CG1-CD1 3.96Å; V217-L254 HydrophobicContact CG1-CG 3.98Å; V217-L254 HydrophobicContact CG2-CD1 4.13Å; V217-L254 HydrophobicContact CG2-CD2 3.54Å; V217-L254 HydrophobicContact CG2-CG 3.72Å; P252-L254 HydrophobicContact CG-CB 4.42Å; P252-L254 PolarHBondContact O-N 2.81Å
255F91.3Very high95Very high0 Ų033.6 Ų33.60%016%0.162CC..G310 helixtrans-104.826.4177.8-58-28000113.2M147 M149 Y152 L207 L211 V217 W221 N250 P252 K253 P257 A403M147-F255 HydrophobicContact CE-CD2 3.67Å; M147-F255 HydrophobicContact CE-CE1 3.98Å; M147-F255 HydrophobicContact CE-CE2 3.11Å; M147-F255 HydrophobicContact CE-CG 4.39Å; M147-F255 HydrophobicContact CE-CZ 3.28Å; M149-F255 HydrophobicContact CE-CE2 3.53Å; M149-F255 HydrophobicContact CE-CZ 3.99Å; M149-F255 HydrophobicContact SD-CD2 4.45Å; M149-F255 HydrophobicContact SD-CE2 3.23Å; M149-F255 WeakPolarHBondContact SD-CE2 3.31Å; M149-F255 HydrophobicContact SD-CZ 3.46Å; M149-F255 WeakPolarHBondContact SD-CZ 3.38Å; Y152-F255 HydrophobicContact CD2-CE1 4.29Å; Y152-F255 AromaticContact CD2-CZ 3.86Å; Y152-F255 HydrophobicContact CD2-CZ 3.86Å; Y152-F255 HydrophobicContact CG-CZ 4.43Å; L207-F255 WeakPolarHBondContact CD1-O 3.3Å; L207-F255 HydrophobicContact CD2-CB 3.93Å; L207-F255 HydrophobicContact CD2-CG 4.26Å; L211-F255 HydrophobicContact CD1-CD1 4Å; L211-F255 HydrophobicContact CD1-CE1 3.71Å; L211-F255 HydrophobicContact CD1-CZ 4.22Å; V217-F255 HydrophobicContact CG1-CD1 4.24Å; V217-F255 HydrophobicContact CG1-CE1 4.26Å; V217-F255 HydrophobicContact CG2-CD1 4.35Å; V217-F255 HydrophobicContact CG2-CE1 3.57Å; V217-F255 HydrophobicContact CG2-CZ 4.47Å; W221-F255 HydrophobicContact CZ2-CD1 4.22Å; N250-F255 PolarHBondContact ND2-O 2.84Å; P252-F255 HydrophobicContact CG-CD2 4.32Å; P252-F255 HydrophobicContact CG-CE2 4.32Å; P252-F255 PolarHBondContact O-N 2.82Å; K253-F255 PolarHBondContact O-N 2.92Å; F255-P257 VanDerWaalsContact O-CD 3.27Å; F255-P257 WeakPolarHBondContact O-CD 3.5Å; F255-A403 HydrophobicContact CD2-CB 3.96Å; F255-A403 HydrophobicContact CE2-CB 3.91Å
256C91.3Very high95Very high16 Ų1630.4 Ų30.411%0.10815%0.147CC..  trans-113.698.3178.4-65.40000109.8N250 P252 K253 F262N250-C256 VanDerWaalsContact C-SG 3.55Å; N250-C256 PolarHBondContact O-SG 2.88Å; P252-C256 PolarHBondContact O-SG 3.47Å; P252-C256 VanDerWaalsContact O-SG 3.36Å; K253-C256 PolarHBondContact O-N 3.39Å; C256-F262 HydrophobicContact CB-CD1 3.32Å; C256-F262 HydrophobicContact CB-CE1 3.23Å; C256-F262 WeakPolarHBondContact SG-CD1 3.48Å
257P91.8Very high95.1Very high9 Ų930.4 Ų30.46%0.05815%0.147CC..  trans-62.8174.2170.3-22.235000111.8L207 W221 L225 Y226 F255 R260L207-P257 VanDerWaalsContact CD1-CD 3.45Å; L207-P257 HydrophobicContact CD1-CG 3.37Å; W221-P257 HydrophobicContact CB-CB 3.91Å; W221-P257 HydrophobicContact CB-CG 4.06Å; W221-P257 HydrophobicContact CD2-CG 4.17Å; W221-P257 HydrophobicContact CG-CB 3.99Å; W221-P257 HydrophobicContact CG-CG 3.77Å; L225-P257 HydrophobicContact CB-CG 4.23Å; L225-P257 WeakPolarHBondContact O-CB 3.27Å; L225-P257 WeakPolarHBondContact O-CG 3.36Å; Y226-P257 HydrophobicContact CD1-CB 3.79Å; Y226-P257 HydrophobicContact CE1-CB 4.39Å; F255-P257 VanDerWaalsContact O-CD 3.27Å; F255-P257 WeakPolarHBondContact O-CD 3.5Å; P257-R260 WeakPolarHBondContact O-CB 3.33Å; P257-R260 PolarHBondContact O-N 3.4Å
258K92.6Very high95.1Very high136 Ų13632.1 Ų32.159%0.59115%0.154SC*.THydrogen-bonded Turntrans-55.1145.1177.5-163.4-177.4175.6176.60111.2Y226 G227 R260Y226-K258 CarbonylContact C-O 3.52Å; Y226-K258 WeakPolarHBondContact CA-O 3.27Å; Y226-K258 WeakPolarHBondContact CB-O 3.28Å; Y226-K258 HydrophobicContact CD1-CB 4Å; Y226-K258 HydrophobicContact CD2-CB 3.85Å; Y226-K258 HydrophobicContact CD2-CD 4.41Å; Y226-K258 HydrophobicContact CE1-CB 4.01Å; Y226-K258 HydrophobicContact CE2-CB 3.84Å; Y226-K258 HydrophobicContact CE2-CD 4.04Å; Y226-K258 HydrophobicContact CG-CB 3.94Å; G227-K258 PolarHBondContact N-O 3.29Å; K258-R260 PolarHBondContact O-N 3.08Å
259N93.8Very high95Very high86 Ų8632.9 Ų32.946%0.4616%0.16SC..THydrogen-bonded Turntrans59.719.7-179.8-52.4-12.1000114.6G227G227-N259 VanDerWaalsContact CA-O 3.3Å; G227-N259 WeakPolarHBondContact CA-O 3.1Å
260R96Very high95.1Very high13 Ų1333 Ų335%0.04916%0.16CC..  trans-104.3125.9170.1-179.459.160.3152.86.6108.8D200 I204 V248 N250 P257 K258D200-R260 PolarHBondContact O-NH2 2.88Å; D200-R260 IonicContact OD1-CZ 3.7Å; D200-R260 IonicContact OD1-NH1 3Å; D200-R260 IonicContact OD1-NH2 2.76Å; D200-R260 PolarHBondContact OD1-NH2 2.7Å; D200-R260 IonicContact OD2-CZ 3.83Å; D200-R260 IonicContact OD2-NH1 3.53Å; D200-R260 IonicContact OD2-NH2 3Å; I204-R260 VanDerWaalsContact CD1-NH1 3.34Å; V248-R260 VanDerWaalsContact O-CD 3.31Å; V248-R260 WeakPolarHBondContact O-CD 3.21Å; V248-R260 PolarHBondContact O-NH1 2.59Å; N250-R260 HydrophobicContact CB-CG 4.07Å; P257-R260 WeakPolarHBondContact O-CB 3.33Å; P257-R260 PolarHBondContact O-N 3.4Å; K258-R260 PolarHBondContact O-N 3.08Å
261S96.7Very high95.1Very high7 Ų733 Ų335%0.04916%0.16CC..  trans-66.8136.7171.9-61.60000111.2D230 N231 S249 N250D230-S261 WeakPolarHBondContact CA-OG 3.34Å; D230-S261 WeakPolarHBondContact CB-OG 3.24Å; N231-S261 PolarHBondContact N-OG 2.7Å; N231-S261 PolarHBondContact OD1-OG 3.02Å; S249-S261 VanDerWaalsContact CA-O 3.32Å; S249-S261 WeakPolarHBondContact CA-O 3.33Å; S249-S261 WeakPolarHBondContact CB-O 3.22Å; N250-S261 PolarHBondContact N-O 2.73Å; N250-S261 VanDerWaalsContact N-O 3.12Å
262F95.9Very high95.2Very high53 Ų5335.3 Ų35.323%0.23217%0.172CC..BIsolated β-bridgetrans-70.3145.5168-52.1-25.7000109.1N250 K253 C256 I264 D265 A266N250-F262 WeakPolarHBondContact O-CA 3.28Å; K253-F262 HydrophobicContact CD-CD2 4.47Å; K253-F262 HydrophobicContact CD-CE2 3.8Å; K253-F262 HydrophobicContact CD-CZ 3.98Å; K253-F262 HydrophobicContact CG-CD2 4.47Å; K253-F262 HydrophobicContact CG-CE1 4.03Å; K253-F262 HydrophobicContact CG-CE2 3.91Å; K253-F262 HydrophobicContact CG-CZ 3.66Å; C256-F262 HydrophobicContact CB-CD1 3.32Å; C256-F262 HydrophobicContact CB-CE1 3.23Å; C256-F262 WeakPolarHBondContact SG-CD1 3.48Å; F262-I264 HydrophobicContact CB-CG2 4.27Å; F262-I264 PolarHBondContact O-N 2.86Å; F262-D265 HydrophobicContact CB-CB 4.33Å; F262-D265 WeakPolarHBondContact CD2-OD2 3.37Å; F262-D265 PolarHBondContact O-N 2.95Å; F262-D265 VanDerWaalsContact O-N 3.11Å; F262-A266 PolarHBondContact O-N 2.81Å
263D95.8Very high95.3Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-61-37-176.4-152.226.5000112.8S249 N250 S251 A266 I267 Y388 F392 F399 G406S249-D263 PolarHBondContact OG-OD1 3.23Å; N250-D263 PolarHBondContact O-N 2.99Å; S251-D263 WeakPolarHBondContact OG-CB 3.41Å; D263-A266 WeakPolarHBondContact O-CB 3.36Å; D263-A266 PolarHBondContact O-N 3.31Å; D263-I267 WeakPolarHBondContact O-CG1 3.35Å; D263-I267 PolarHBondContact O-N 3.23Å; D263-I267 VanDerWaalsContact O-N 3.12Å; D263-Y388 WeakPolarHBondContact OD1-CE2 3.34Å; D263-Y388 PolarHBondContact OD1-OH 3.35Å; D263-Y388 PolarHBondContact OD2-OH 3.39Å; D263-F392 WeakPolarHBondContact OD2-CD2 3.41Å; D263-F399 HydrophobicContact CB-CD1 4.34Å; D263-F399 HydrophobicContact CB-CE1 4.45Å; D263-G406 VanDerWaalsContact OD1-CA 3.28Å; D263-G406 WeakPolarHBondContact OD1-CA 3.36Å; D263-G406 PolarHBondContact OD1-N 3.36Å
264I96.4Very high95.6Very high25 Ų2531.9 Ų31.913%0.12816%0.161CC..Hα-helixtrans-65.3-41.6175.1-161172.3000112.7F262 A266 I267 Y268 W298 D300 L301 F399F262-I264 HydrophobicContact CB-CG2 4.27Å; F262-I264 PolarHBondContact O-N 2.86Å; I264-A266 VanDerWaalsContact C-N 3.29Å; I264-A266 PolarHBondContact O-N 2.93Å; I264-I267 PolarHBondContact O-N 2.88Å; I264-Y268 HydrophobicContact CD1-CE1 4.38Å; I264-Y268 HydrophobicContact CD1-CE2 4.41Å; I264-Y268 HydrophobicContact CG1-CD1 4.42Å; I264-Y268 HydrophobicContact CG1-CE1 3.86Å; I264-Y268 HydrophobicContact CG1-CE2 4.05Å; I264-Y268 WeakPolarHBondContact O-CD1 3.29Å; I264-Y268 PolarHBondContact O-N 3.21Å; I264-W298 HydrophobicContact CD1-CH2 3.96Å; I264-W298 HydrophobicContact CD1-CZ2 3.36Å; I264-W298 HydrophobicContact CG1-CZ2 4.45Å; I264-D300 HydrophobicContact CD1-CB 3.59Å; I264-L301 HydrophobicContact CG1-CD2 4.28Å; I264-F399 HydrophobicContact CB-CD1 4.16Å
265D96.4Very high95.9Very high56 Ų5635.2 Ų35.230%0.29917%0.173SC..Hα-helixtrans-68.9-31.9178.5-64.1-21.2000111.3F262 Y268 S269F262-D265 HydrophobicContact CB-CB 4.33Å; F262-D265 WeakPolarHBondContact CD2-OD2 3.37Å; F262-D265 PolarHBondContact O-N 2.95Å; F262-D265 VanDerWaalsContact O-N 3.11Å; D265-Y268 PolarHBondContact O-N 3.28Å; D265-S269 PolarHBondContact O-N 3.48Å
266A97.8Very high96.2Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-63.1-46.4172.400000110.9F247 F262 D263 I264 Y268 S269 V270 V408F247-A266 HydrophobicContact CE2-CB 3.77Å; F247-A266 HydrophobicContact CZ-CB 4.12Å; F262-A266 PolarHBondContact O-N 2.81Å; D263-A266 WeakPolarHBondContact O-CB 3.36Å; D263-A266 PolarHBondContact O-N 3.31Å; I264-A266 VanDerWaalsContact C-N 3.29Å; I264-A266 PolarHBondContact O-N 2.93Å; A266-Y268 PolarHBondContact O-N 3.48Å; A266-S269 PolarHBondContact O-N 3.19Å; A266-S269 PolarHBondContact O-OG 3.04Å; A266-V270 PolarHBondContact O-N 3.36Å; A266-V408 HydrophobicContact CB-CG2 3.91Å
267I98.4Very high96.5Very high0 Ų041.7 Ų41.70%020%0.201CC..Hα-helixtrans-62.3-43.4175.3-64.7169.1000110.9D263 I264 S269 V270 I271 L301 M381 Y388 W394 F399D263-I267 WeakPolarHBondContact O-CG1 3.35Å; D263-I267 PolarHBondContact O-N 3.23Å; D263-I267 VanDerWaalsContact O-N 3.12Å; I264-I267 PolarHBondContact O-N 2.88Å; I267-S269 VanDerWaalsContact C-N 3.35Å; I267-S269 PolarHBondContact O-N 3.46Å; I267-V270 PolarHBondContact O-N 2.9Å; I267-I271 HydrophobicContact CG2-CD1 3.93Å; I267-I271 HydrophobicContact CG2-CG1 4.48Å; I267-I271 WeakPolarHBondContact O-CG1 3.31Å; I267-I271 PolarHBondContact O-N 3.28Å; I267-L301 HydrophobicContact CB-CD2 4.08Å; I267-L301 HydrophobicContact CD1-CD1 4.46Å; I267-L301 HydrophobicContact CD1-CD2 4.4Å; I267-L301 HydrophobicContact CG2-CD2 3.48Å; I267-L301 VanDerWaalsContact CG2-CD2 3.48Å; I267-M381 HydrophobicContact CG2-CE 3.8Å; I267-Y388 HydrophobicContact CD1-CD1 4.37Å; I267-Y388 HydrophobicContact CD1-CE1 3.8Å; I267-Y388 HydrophobicContact CD1-CE2 4.3Å; I267-Y388 HydrophobicContact CG1-CD1 3.94Å; I267-Y388 HydrophobicContact CG1-CD2 3.87Å; I267-Y388 HydrophobicContact CG1-CE1 3.78Å; I267-Y388 HydrophobicContact CG1-CE2 3.69Å; I267-Y388 HydrophobicContact CG1-CG 3.99Å; I267-W394 HydrophobicContact CG2-CH2 4.07Å; I267-W394 HydrophobicContact CG2-CZ2 3.93Å; I267-F399 HydrophobicContact CD1-CE1 3.45Å; I267-F399 VanDerWaalsContact CD1-CE1 3.45Å; I267-F399 HydrophobicContact CD1-CZ 3.53Å
268Y98.1Very high96.8Very high37 Ų3741.3 Ų41.315%0.14520%0.198CC..Hα-helixtrans-55.6-49.4175.1-65.7-15.8000111.8I264 D265 A266 V270 I271 D272 D300 L301 K304I264-Y268 HydrophobicContact CD1-CE1 4.38Å; I264-Y268 HydrophobicContact CD1-CE2 4.41Å; I264-Y268 HydrophobicContact CG1-CD1 4.42Å; I264-Y268 HydrophobicContact CG1-CE1 3.86Å; I264-Y268 HydrophobicContact CG1-CE2 4.05Å; I264-Y268 WeakPolarHBondContact O-CD1 3.29Å; I264-Y268 PolarHBondContact O-N 3.21Å; D265-Y268 PolarHBondContact O-N 3.28Å; A266-Y268 PolarHBondContact O-N 3.48Å; Y268-V270 PolarHBondContact O-N 3.46Å; Y268-I271 PolarHBondContact O-N 3.4Å; Y268-I271 VanDerWaalsContact O-N 3.12Å; Y268-D272 WeakPolarHBondContact O-CB 3.5Å; Y268-D272 VanDerWaalsContact O-CG 3.24Å; Y268-D272 PolarHBondContact O-N 2.8Å; Y268-D300 WeakPolarHBondContact OH-CA 3.19Å; Y268-D300 WeakPolarHBondContact OH-CB 3.46Å; Y268-D300 VanDerWaalsContact OH-CG 3.25Å; Y268-D300 PolarHBondContact OH-OD1 3.1Å; Y268-L301 HydrophobicContact CD1-CD2 4.08Å; Y268-L301 HydrophobicContact CE1-CD2 3.8Å; Y268-K304 HydrophobicContact CD1-CB 4.38Å; Y268-K304 HydrophobicContact CD1-CD 4.37Å; Y268-K304 HydrophobicContact CD1-CG 3.48Å; Y268-K304 VanDerWaalsContact CD1-CG 3.48Å; Y268-K304 HydrophobicContact CE1-CB 4.41Å; Y268-K304 HydrophobicContact CE1-CG 3.5Å; Y268-K304 HydrophobicContact CG-CG 4.22Å
269S97.5Very high97.1Very high19 Ų1935 Ų3513%0.13317%0.171CC..Hα-helixtrans-57.3-39.2179.874.10000112.3D265 A266 I267 D273D265-S269 PolarHBondContact O-N 3.48Å; A266-S269 PolarHBondContact O-N 3.19Å; A266-S269 PolarHBondContact O-OG 3.04Å; I267-S269 VanDerWaalsContact C-N 3.35Å; I267-S269 PolarHBondContact O-N 3.46Å; S269-D273 VanDerWaalsContact O-CB 3.29Å; S269-D273 WeakPolarHBondContact O-CB 3.1Å; S269-D273 VanDerWaalsContact O-CG 3.25Å; S269-D273 PolarHBondContact O-N 3Å
270V98.3Very high97.4Very high1 Ų131 Ų311%0.00615%0.149CC..Hα-helixtrans-69.7-39.9178.71740000112A266 I267 Y268 A274 M381 T383 A386 V408A266-V270 PolarHBondContact O-N 3.36Å; I267-V270 PolarHBondContact O-N 2.9Å; Y268-V270 PolarHBondContact O-N 3.46Å; V270-A274 PolarHBondContact O-N 3.34Å; V270-M381 HydrophobicContact CB-CE 3.58Å; V270-M381 HydrophobicContact CG1-CE 3.37Å; V270-M381 HydrophobicContact CG1-SD 4.36Å; V270-T383 HydrophobicContact CG1-CG2 3.59Å; V270-A386 HydrophobicContact CG1-CB 3.91Å; V270-A386 HydrophobicContact CG2-CB 4.22Å; V270-V408 HydrophobicContact CG2-CB 4.41Å; V270-V408 HydrophobicContact CG2-CG1 3.61Å; V270-V408 HydrophobicContact CG2-CG2 3.87Å
271I98.5Very high97.5Very high1 Ų130.3 Ų30.31%0.00515%0.147CC..Hα-helixtrans-67.8-44176.3-66.2172.7000110.5I267 Y268 A274 V278 K304 A308 R312 M381 W394I267-I271 HydrophobicContact CG2-CD1 3.93Å; I267-I271 HydrophobicContact CG2-CG1 4.48Å; I267-I271 WeakPolarHBondContact O-CG1 3.31Å; I267-I271 PolarHBondContact O-N 3.28Å; Y268-I271 PolarHBondContact O-N 3.4Å; Y268-I271 VanDerWaalsContact O-N 3.12Å; I271-A274 WeakPolarHBondContact O-CB 3.47Å; I271-A274 PolarHBondContact O-N 3.39Å; I271-V278 HydrophobicContact CG1-CG1 4.39Å; I271-K304 HydrophobicContact CD1-CB 4.08Å; I271-K304 HydrophobicContact CG2-CB 4.33Å; I271-A308 HydrophobicContact CG2-CB 4.01Å; I271-R312 PolarHBondContact O-NH1 3.12Å; I271-R312 PolarHBondContact O-NH2 2.96Å; I271-M381 HydrophobicContact CD1-SD 4.12Å; I271-M381 HydrophobicContact CG1-CE 3.91Å; I271-M381 HydrophobicContact CG1-SD 3.54Å; I271-M381 VanDerWaalsContact CG1-SD 3.54Å; I271-W394 HydrophobicContact CD1-CH2 4.14Å; I271-W394 HydrophobicContact CD1-CZ3 4.5Å
272D97.4Very high97.5Very high53 Ų5330 Ų3028%0.28314%0.144SC..Hα-helixtrans-67.2-36.8-177.2-69.3-15000111.7Y268 A274 K304 R312Y268-D272 WeakPolarHBondContact O-CB 3.5Å; Y268-D272 VanDerWaalsContact O-CG 3.24Å; Y268-D272 PolarHBondContact O-N 2.8Å; D272-A274 PolarHBondContact O-N 3.44Å; D272-K304 VanDerWaalsContact CG-NZ 3.29Å; D272-K304 IonicContact OD1-NZ 2.71Å; D272-K304 PolarHBondContact OD1-NZ 3.31Å; D272-K304 IonicContact OD2-NZ 3.54Å; D272-K304 PolarHBondContact OD2-NZ 3.4Å; D272-R312 PolarHBondContact O-NH1 3.34Å; D272-R312 IonicContact OD1-NH2 3.77Å
273D96.6Very high97.5Very high80 Ų8028.5 Ų28.543%0.42814%0.138SC..Hα-helixtrans-71.4-27.2176.6-77.2-14000113.2K234 S269 K275K234-D273 IonicContact NZ-OD2 3.87Å; S269-D273 VanDerWaalsContact O-CB 3.29Å; S269-D273 WeakPolarHBondContact O-CB 3.1Å; S269-D273 VanDerWaalsContact O-CG 3.25Å; S269-D273 PolarHBondContact O-N 3Å; D273-K275 WeakPolarHBondContact O-CD 3.14Å; D273-K275 WeakPolarHBondContact O-CE 3.21Å; D273-K275 PolarHBondContact O-NZ 2.75Å
274A97.8Very high97.5Very high2 Ų229.9 Ų29.92%0.01715%0.146CC..  trans-58.9135.9-17700000112.7V270 I271 D272 V278 R312 V314 T383V270-A274 PolarHBondContact O-N 3.34Å; I271-A274 WeakPolarHBondContact O-CB 3.47Å; I271-A274 PolarHBondContact O-N 3.39Å; D272-A274 PolarHBondContact O-N 3.44Å; A274-V278 HydrophobicContact CB-CG2 3.55Å; A274-R312 PolarHBondContact O-NH1 3.12Å; A274-V314 HydrophobicContact CB-CG1 4.42Å; A274-T383 HydrophobicContact CB-CG2 3.88Å
275K96.4Very high97.6Very high146 Ų14628.7 Ų28.764%0.63514%0.14SC*.SBendtrans-113.6-28.8-179.7-52.4-56.8176.1-154.90113.1D273 D384D273-K275 WeakPolarHBondContact O-CD 3.14Å; D273-K275 WeakPolarHBondContact O-CE 3.21Å; D273-K275 PolarHBondContact O-NZ 2.75Å; K275-D384 WeakPolarHBondContact CB-OD2 3.37Å; K275-D384 PolarHBondContact N-OD1 2.51Å; K275-D384 PolarHBondContact N-OD2 3.05Å
276Q96.4Very high97.5Very high134 Ų13426.9 Ų26.963%0.62613%0.13SC*.SBendtrans-115.5-47.1-173.9-60.6-172.3-15.400112.9R315 D384Q276-R315 WeakPolarHBondContact O-CB 2.85Å; Q276-R315 PolarHBondContact O-N 3.28Å; Q276-R315 VanDerWaalsContact O-N 3.08Å; Q276-D384 HydrophobicContact CB-CB 4Å; Q276-D384 HydrophobicContact CG-CB 4.26Å; Q276-D384 PolarHBondContact N-OD1 2.92Å; Q276-D384 VanDerWaalsContact N-OD1 3.1Å; Q276-D384 PolarHBondContact N-OD2 3.22Å
277Y98.1Very high97.5Very high17 Ų1727 Ų277%0.06713%0.131CC..EExtended strand (participates in β ladder)trans-152.9157.4-177.266.3-95000113.3Y279 R315 T383 D384 K425Y277-Y279 AromaticContact CD2-CD1 3.75Å; Y277-Y279 HydrophobicContact CD2-CD1 3.75Å; Y277-Y279 AromaticContact CD2-CD2 3.86Å; Y277-Y279 HydrophobicContact CD2-CD2 3.86Å; Y277-Y279 AromaticContact CD2-CE1 3.69Å; Y277-Y279 HydrophobicContact CD2-CE1 3.69Å; Y277-Y279 AromaticContact CD2-CE2 3.84Å; Y277-Y279 HydrophobicContact CD2-CE2 3.84Å; Y277-Y279 AromaticContact CD2-CG 3.8Å; Y277-Y279 HydrophobicContact CD2-CG 3.8Å; Y277-Y279 AromaticContact CD2-CZ 3.71Å; Y277-Y279 HydrophobicContact CE2-CD2 4.03Å; Y277-Y279 HydrophobicContact CE2-CE2 4.11Å; Y277-Y279 HydrophobicContact CE2-CG 4.31Å; Y277-Y279 HydrophobicContact CG-CD1 4.31Å; Y277-Y279 AromaticContact CG-CE1 3.82Å; Y277-Y279 HydrophobicContact CG-CE1 3.82Å; Y277-Y279 HydrophobicContact CG-CE2 4.33Å; Y277-Y279 AromaticContact CG-CZ 3.8Å; Y277-R315 CarbonylContact C-O 3.58Å; Y277-R315 WeakPolarHBondContact CA-O 3.17Å; Y277-R315 WeakPolarHBondContact CB-O 3.48Å; Y277-T383 WeakPolarHBondContact CE2-O 3.46Å; Y277-T383 VanDerWaalsContact CZ-C 3.41Å; Y277-T383 VanDerWaalsContact CZ-O 3.3Å; Y277-T383 VanDerWaalsContact O-CA 3.31Å; Y277-T383 WeakPolarHBondContact O-CA 3.32Å; Y277-T383 WeakPolarHBondContact O-CB 3.25Å; Y277-T383 PolarHBondContact OH-O 3.19Å; Y277-D384 HydrophobicContact CD1-CB 4.2Å; Y277-D384 HydrophobicContact CE1-CB 3.8Å; Y277-K425 HydrophobicContact CE2-CG 4.49Å; Y277-K425 WeakPolarHBondContact OH-CD 3.48Å
278V98.7Very high97.3Very high2 Ų227.6 Ų27.61%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-132.8111.8170.81760000108I271 A274 I280 V314 R315 V316 R317 M381 T383I271-V278 HydrophobicContact CG1-CG1 4.39Å; A274-V278 HydrophobicContact CB-CG2 3.55Å; V278-I280 HydrophobicContact CG1-CD1 3.81Å; V278-I280 HydrophobicContact CG1-CG1 3.83Å; V278-V314 HydrophobicContact CG2-CG1 3.82Å; V278-R315 PolarHBondContact N-O 3.29Å; V278-V316 HydrophobicContact CB-CG2 4.35Å; V278-V316 VanDerWaalsContact O-CA 3.29Å; V278-V316 WeakPolarHBondContact O-CA 3.39Å; V278-R317 PolarHBondContact O-N 3.21Å; V278-M381 HydrophobicContact CG1-CG 3.89Å; V278-M381 HydrophobicContact CG1-SD 3.49Å; V278-M381 WeakPolarHBondContact CG1-SD 3.12Å; V278-T383 HydrophobicContact CG2-CG2 4.03Å
279Y98.8Very high97.1Very high4 Ų426.4 Ų26.42%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-109123.3178.3-65.7-7.2000109.1Y277 R315 R317 M381 V382 K425 F428 E429Y277-Y279 AromaticContact CD2-CD1 3.75Å; Y277-Y279 HydrophobicContact CD2-CD1 3.75Å; Y277-Y279 AromaticContact CD2-CD2 3.86Å; Y277-Y279 HydrophobicContact CD2-CD2 3.86Å; Y277-Y279 AromaticContact CD2-CE1 3.69Å; Y277-Y279 HydrophobicContact CD2-CE1 3.69Å; Y277-Y279 AromaticContact CD2-CE2 3.84Å; Y277-Y279 HydrophobicContact CD2-CE2 3.84Å; Y277-Y279 AromaticContact CD2-CG 3.8Å; Y277-Y279 HydrophobicContact CD2-CG 3.8Å; Y277-Y279 AromaticContact CD2-CZ 3.71Å; Y277-Y279 HydrophobicContact CE2-CD2 4.03Å; Y277-Y279 HydrophobicContact CE2-CE2 4.11Å; Y277-Y279 HydrophobicContact CE2-CG 4.31Å; Y277-Y279 HydrophobicContact CG-CD1 4.31Å; Y277-Y279 AromaticContact CG-CE1 3.82Å; Y277-Y279 HydrophobicContact CG-CE1 3.82Å; Y277-Y279 HydrophobicContact CG-CE2 4.33Å; Y277-Y279 AromaticContact CG-CZ 3.8Å; Y279-R315 HydrophobicContact CE1-CG 4.48Å; Y279-R317 WeakPolarHBondContact CA-O 3.47Å; Y279-R317 HydrophobicContact CD1-CB 3.59Å; Y279-R317 HydrophobicContact CD1-CG 3.77Å; Y279-R317 HydrophobicContact CE1-CB 4.03Å; Y279-R317 VanDerWaalsContact CE1-CD 3.5Å; Y279-R317 HydrophobicContact CE1-CG 3.65Å; Y279-R317 HydrophobicContact CG-CB 4.26Å; Y279-R317 PolarHBondContact OH-NH1 3.02Å; Y279-M381 CarbonylContact O-C 3.55Å; Y279-M381 VanDerWaalsContact O-CA 3.22Å; Y279-M381 WeakPolarHBondContact O-CA 3.28Å; Y279-V382 HydrophobicContact CD2-CG1 4.49Å; Y279-V382 PolarHBondContact N-O 3.32Å; Y279-V382 PolarHBondContact O-N 3.27Å; Y279-K425 HydrophobicContact CD2-CG 4.4Å; Y279-K425 HydrophobicContact CE2-CG 4.36Å; Y279-F428 HydrophobicContact CD1-CE1 4.28Å; Y279-F428 AromaticContact CD2-CD1 3.4Å; Y279-F428 HydrophobicContact CD2-CD1 3.4Å; Y279-F428 VanDerWaalsContact CD2-CD1 3.4Å; Y279-F428 AromaticContact CD2-CE1 3.71Å; Y279-F428 HydrophobicContact CD2-CE1 3.71Å; Y279-F428 HydrophobicContact CD2-CG 4.11Å; Y279-F428 HydrophobicContact CE2-CD1 4.25Å; Y279-F428 HydrophobicContact CE2-CE1 4.47Å; Y279-F428 AromaticContact CG-CD1 3.73Å; Y279-F428 HydrophobicContact CG-CD1 3.73Å; Y279-F428 AromaticContact CG-CE1 3.62Å; Y279-F428 HydrophobicContact CG-CE1 3.62Å; Y279-F428 HydrophobicContact CG-CG 4.32Å; Y279-F428 HydrophobicContact CG-CZ 4.13Å; Y279-E429 HydrophobicContact CE2-CG 4.3Å
280I98.8Very high96.6Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-122.7126.6-171.2-60.9153.2000108.7V278 V282 I305 V316 R317 L318 L319 M381 W394 F428V278-I280 HydrophobicContact CG1-CD1 3.81Å; V278-I280 HydrophobicContact CG1-CG1 3.83Å; I280-V282 HydrophobicContact CG2-CG1 3.85Å; I280-V282 HydrophobicContact CG2-CG2 4.44Å; I280-I305 HydrophobicContact CD1-CD1 4.23Å; I280-I305 HydrophobicContact CD1-CG1 4.25Å; I280-V316 HydrophobicContact CD1-CG1 4.17Å; I280-R317 PolarHBondContact N-O 3.11Å; I280-L318 HydrophobicContact CB-CG 4.47Å; I280-L318 HydrophobicContact CD1-CD2 4.47Å; I280-L318 HydrophobicContact CD1-CG 4.24Å; I280-L319 PolarHBondContact O-N 2.82Å; I280-M381 HydrophobicContact CG1-CB 4.25Å; I280-M381 HydrophobicContact CG1-CG 3.86Å; I280-M381 HydrophobicContact CG1-SD 4.03Å; I280-W394 HydrophobicContact CB-CH2 4.31Å; I280-W394 HydrophobicContact CD1-CE3 4.36Å; I280-W394 HydrophobicContact CD1-CH2 3.36Å; I280-W394 HydrophobicContact CD1-CZ2 4.33Å; I280-W394 HydrophobicContact CD1-CZ3 3.4Å; I280-W394 HydrophobicContact CG1-CH2 3.51Å; I280-W394 HydrophobicContact CG1-CZ2 4.04Å; I280-W394 HydrophobicContact CG1-CZ3 4.01Å; I280-W394 HydrophobicContact CG2-CD2 4.06Å; I280-W394 HydrophobicContact CG2-CE3 4.13Å; I280-W394 HydrophobicContact CG2-CH2 3.79Å; I280-W394 HydrophobicContact CG2-CZ2 3.68Å; I280-W394 HydrophobicContact CG2-CZ3 4.03Å; I280-F428 WeakPolarHBondContact O-CE2 3.49Å
281A98.4Very high95.9Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-122.6116.1173.200000109.7L319 N378 K379 Y380 F428A281-L319 WeakPolarHBondContact CA-O 3.32Å; A281-L319 HydrophobicContact CB-CB 4.47Å; A281-N378 CarbonylContact C-O 3.35Å; A281-N378 HydrophobicContact CB-CB 4.45Å; A281-N378 CarbonylContact O-C 3.59Å; A281-N378 VanDerWaalsContact O-O 3.09Å; A281-K379 WeakPolarHBondContact O-CA 3.42Å; A281-Y380 HydrophobicContact CB-CD1 3.99Å; A281-Y380 HydrophobicContact CB-CE1 3.51Å; A281-Y380 HydrophobicContact CB-CE2 4.17Å; A281-Y380 PolarHBondContact N-O 2.99Å; A281-Y380 PolarHBondContact O-N 2.77Å; A281-F428 HydrophobicContact CB-CD2 4.16Å; A281-F428 HydrophobicContact CB-CE2 4.25Å
282V97.8Very high94.9Very high0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-138.6156.1-175.3-67.40000110.4I280 L319 I320 S321 N378 W394I280-V282 HydrophobicContact CG2-CG1 3.85Å; I280-V282 HydrophobicContact CG2-CG2 4.44Å; V282-L319 PolarHBondContact N-O 3.36Å; V282-L319 VanDerWaalsContact N-O 3.13Å; V282-I320 HydrophobicContact CG2-CG1 4.21Å; V282-I320 WeakPolarHBondContact O-CA 3.41Å; V282-S321 PolarHBondContact O-N 3.28Å; V282-N378 CarbonylContact C-O 3.07Å; V282-N378 WeakPolarHBondContact CA-O 3.41Å; V282-W394 HydrophobicContact CG1-CB 4.4Å; V282-W394 VanDerWaalsContact CG1-CD1 3.4Å; V282-W394 HydrophobicContact CG1-CD2 4.19Å; V282-W394 HydrophobicContact CG1-CG 3.75Å
283M95.9Very high94.1Very high22 Ų2239.6 Ų39.611%0.10822%0.219CC..SBendtrans-70.5-55.9170.6-170.3-179.877.100109.4I320 S321 W323 R377 N378 D393M283-I320 WeakPolarHBondContact O-CG2 3.31Å; M283-S321 WeakPolarHBondContact O-CB 3.45Å; M283-S321 PolarHBondContact O-N 3.19Å; M283-S321 VanDerWaalsContact O-N 3.08Å; M283-W323 HydrophobicContact CE-CZ2 4.03Å; M283-R377 HydrophobicContact SD-CG 3.75Å; M283-N378 PolarHBondContact N-O 2.84Å; M283-D393 WeakPolarHBondContact CA-OD1 3.44Å; M283-D393 WeakPolarHBondContact CB-OD1 3.04Å; M283-D393 WeakPolarHBondContact CE-OD2 3.36Å; M283-D393 PolarHBondContact N-OD1 3.11Å
284D96.1Very high93.8Very high28 Ų2842.2 Ų42.215%0.1523%0.227CC..  trans-121.7142.6-177.8-66-45.6000111.9W323 D393 W394 V395D284-W323 PolarHBondContact OD1-NE1 2.64Å; D284-D393 HydrophobicContact CB-CB 4.1Å; D284-W394 PolarHBondContact O-N 2.91Å; D284-V395 HydrophobicContact CB-CG2 3.89Å
285Y96.7Very high93.6Very high1 Ų149.3 Ų49.30%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-126.7104.5172.4179-92.7000108.9P287 D302 I305 L318 I320 T330 F333 I334 L337 W394Y285-P287 HydrophobicContact CD1-CG 4.4Å; Y285-P287 HydrophobicContact CE1-CG 3.63Å; Y285-D302 WeakPolarHBondContact OH-CA 3.2Å; Y285-D302 WeakPolarHBondContact OH-CB 3.29Å; Y285-D302 PolarHBondContact OH-OD1 3.24Å; Y285-I305 HydrophobicContact CE2-CD1 3.71Å; Y285-L318 HydrophobicContact CD2-CD2 3.95Å; Y285-L318 HydrophobicContact CE2-CD2 4Å; Y285-L318 HydrophobicContact CG-CD2 4.4Å; Y285-I320 HydrophobicContact CG-CD1 4.26Å; Y285-T330 WeakPolarHBondContact O-CG2 3.44Å; Y285-T330 PolarHBondContact O-OG1 3.45Å; Y285-F333 HydrophobicContact CE1-CB 4.32Å; Y285-I334 HydrophobicContact CD1-CD1 3.65Å; Y285-I334 HydrophobicContact CD1-CG1 4.41Å; Y285-I334 HydrophobicContact CE1-CD1 3.88Å; Y285-I334 HydrophobicContact CG-CD1 4.44Å; Y285-L337 HydrophobicContact CE1-CD1 3.94Å; Y285-L337 WeakPolarHBondContact OH-CD1 3.27Å; Y285-W394 HydrophobicContact CD2-CB 3.92Å; Y285-W394 HydrophobicContact CD2-CE3 4.28Å; Y285-W394 HydrophobicContact CE2-CE3 4.14Å
286L96.1Very high93.5Very high17 Ų1745 Ų459%0.08924%0.239CC..EExtended strand (participates in β ladder)trans-146.598.8-178-171.867000110I288 D327 L329 F333 W394 V395L286-I288 HydrophobicContact CD1-CD1 4.16Å; L286-I288 HydrophobicContact CD1-CG1 4.49Å; L286-I288 HydrophobicContact CD2-CB 4.39Å; L286-I288 HydrophobicContact CG-CB 4.08Å; L286-I288 HydrophobicContact CG-CD1 4.41Å; L286-I288 HydrophobicContact CG-CG1 4.38Å; L286-I288 PolarHBondContact O-N 3.28Å; L286-D327 HydrophobicContact CD1-CB 4.38Å; L286-D327 HydrophobicContact CD2-CB 4Å; L286-L329 HydrophobicContact CD1-CB 3.94Å; L286-F333 HydrophobicContact CD1-CD2 4.04Å; L286-F333 HydrophobicContact CD1-CE2 4.06Å; L286-W394 PolarHBondContact N-O 3.14Å; L286-V395 HydrophobicContact CB-CG1 4.29Å; L286-V395 HydrophobicContact CB-CG2 4.03Å; L286-V395 WeakPolarHBondContact O-CA 3.11Å
287P96.1Very high93.4Very high3 Ų344.7 Ų44.72%0.01923%0.233CC..  trans-65.746.9175.4-2536.6000115.1Y285 Y297 W298 D302 F333Y285-P287 HydrophobicContact CD1-CG 4.4Å; Y285-P287 HydrophobicContact CE1-CG 3.63Å; P287-Y297 HydrophobicContact CB-CE2 3.98Å; P287-Y297 WeakPolarHBondContact O-CD2 3.33Å; P287-W298 CarbonylContact C-O 3.54Å; P287-W298 WeakPolarHBondContact CB-O 3.49Å; P287-W298 PolarHBondContact O-N 3.12Å; P287-D302 HydrophobicContact CB-CB 3.88Å; P287-D302 HydrophobicContact CG-CB 3.67Å; P287-F333 HydrophobicContact CB-CD1 4.21Å; P287-F333 HydrophobicContact CB-CE1 4.18Å; P287-F333 HydrophobicContact CB-CZ 4.49Å; P287-F333 HydrophobicContact CG-CB 4.42Å; P287-F333 HydrophobicContact CG-CD1 4.1Å; P287-F333 HydrophobicContact CG-CG 4.13Å
288I94.9Very high93.3Very high12 Ų1244.9 Ų44.96%0.06223%0.234CC..EExtended strand (participates in β ladder)trans-131.8139.2178.6-67.5177.3000107.9L286 S290 R295 T296 L329 F333 G396L286-I288 HydrophobicContact CD1-CD1 4.16Å; L286-I288 HydrophobicContact CD1-CG1 4.49Å; L286-I288 HydrophobicContact CD2-CB 4.39Å; L286-I288 HydrophobicContact CG-CB 4.08Å; L286-I288 HydrophobicContact CG-CD1 4.41Å; L286-I288 HydrophobicContact CG-CG1 4.38Å; L286-I288 PolarHBondContact O-N 3.28Å; I288-S290 WeakPolarHBondContact CG2-OG 3.24Å; I288-R295 HydrophobicContact CG2-CB 4Å; I288-R295 HydrophobicContact CG2-CG 4.44Å; I288-T296 CarbonylContact C-O 3.56Å; I288-T296 WeakPolarHBondContact CA-O 3.28Å; I288-L329 HydrophobicContact CD1-CD1 3.54Å; I288-F333 HydrophobicContact CD1-CE2 3.68Å; I288-F333 HydrophobicContact CD1-CZ 4.03Å; I288-F333 HydrophobicContact CG1-CE2 3.78Å; I288-F333 HydrophobicContact CG1-CZ 3.83Å; I288-G396 PolarHBondContact O-N 2.88Å
289S92.9Very high93.2Very high13 Ų1347.3 Ų47.39%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-106.3129.3159-177.10000109.1T296 N397S289-T296 PolarHBondContact N-O 3.41Å; S289-T296 PolarHBondContact O-N 2.59Å; S289-T296 PolarHBondContact O-OG1 3.22Å; S289-N397 WeakPolarHBondContact CA-OD1 3.4Å; S289-N397 PolarHBondContact OG-OD1 3.48Å
290S88.1Confident93Very high33 Ų3349.6 Ų49.623%0.23126%0.262CS..EExtended strand (participates in β ladder)trans-115.3135.2-178.9-56.60000110.9I288 K294 R295 N397I288-S290 WeakPolarHBondContact CG2-OG 3.24Å; S290-K294 CarbonylContact C-O 3.56Å; S290-K294 WeakPolarHBondContact CA-O 3.48Å; S290-R295 WeakPolarHBondContact OG-CG 3.27Å; S290-N397 PolarHBondContact N-OD1 3.18Å; S290-N397 PolarHBondContact O-ND2 3.22Å; S290-N397 PolarHBondContact O-OD1 3.33Å
291T83.1Confident92.9Very high74 Ų7449.7 Ų49.745%0.45426%0.262SS..  trans-104.5178.7160.567.30000109T293 K294T291-T293 PolarHBondContact O-N 3.45Å; T291-T293 PolarHBondContact OG1-N 2.82Å; T291-K294 PolarHBondContact N-O 3.24Å; T291-K294 PolarHBondContact OG1-N 3.32Å; T291-K294 VanDerWaalsContact OG1-N 3.16Å; T291-K294 PolarHBondContact OG1-O 2.8Å
292S77.3Confident92.9Very high113 Ų11349.7 Ų49.779%0.7926%0.263SS*.SBendtrans-58.3-19.1175.458.30000113.8
293T81.4Confident92.8Very high131 Ų13151.9 Ų51.980%0.80428%0.28SS*.SBendtrans-124.9-12.7-173.956.80000114.6T291T291-T293 PolarHBondContact O-N 3.45Å; T291-T293 PolarHBondContact OG1-N 2.82Å
294K90.4Very high92.9Very high135 Ų13552.6 Ų52.659%0.58728%0.283SS*.  trans-148.4134.7-172.9-170.4-179.6-178.4-1770111.9S290 T291 T296S290-K294 CarbonylContact C-O 3.56Å; S290-K294 WeakPolarHBondContact CA-O 3.48Å; T291-K294 PolarHBondContact N-O 3.24Å; T291-K294 PolarHBondContact OG1-N 3.32Å; T291-K294 VanDerWaalsContact OG1-N 3.16Å; T291-K294 PolarHBondContact OG1-O 2.8Å; K294-T296 HydrophobicContact CD-CG2 3.9Å; K294-T296 HydrophobicContact CG-CG2 4.1Å
295R92.5Very high93Very high150 Ų15051.3 Ų51.357%0.56628%0.276SS*.EExtended strand (participates in β ladder)trans-97.5134.4163.5-60.8-166.8176.5-162.8-5.1109.4I288 S290 D327I288-R295 HydrophobicContact CG2-CB 4Å; I288-R295 HydrophobicContact CG2-CG 4.44Å; S290-R295 WeakPolarHBondContact OG-CG 3.27Å; R295-D327 IonicContact CZ-OD2 3.62Å; R295-D327 IonicContact NH1-OD2 2.83Å; R295-D327 PolarHBondContact NH1-OD2 2.98Å; R295-D327 IonicContact NH2-OD2 3.51Å
296T94.2Very high93Very high57 Ų5753.4 Ų53.435%0.3528%0.284SS..EExtended strand (participates in β ladder)trans-127.6138.4178.445.40000109.9I288 S289 K294 W298I288-T296 CarbonylContact C-O 3.56Å; I288-T296 WeakPolarHBondContact CA-O 3.28Å; S289-T296 PolarHBondContact N-O 3.41Å; S289-T296 PolarHBondContact O-N 2.59Å; S289-T296 PolarHBondContact O-OG1 3.22Å; K294-T296 HydrophobicContact CD-CG2 3.9Å; K294-T296 HydrophobicContact CG-CG2 4.1Å; T296-W298 PolarHBondContact O-N 2.81Å
297Y95.3Very high93Very high126 Ų12655.8 Ų55.849%0.49430%0.295SS..EExtended strand (participates in β ladder)trans-65.5131.1173.4179.3-127.4000109.8P287 P299 D302 F333P287-Y297 HydrophobicContact CB-CE2 3.98Å; P287-Y297 WeakPolarHBondContact O-CD2 3.33Å; Y297-P299 HydrophobicContact CD1-CB 4.26Å; Y297-P299 HydrophobicContact CE1-CB 3.56Å; Y297-P299 HydrophobicContact CE1-CG 4.32Å; Y297-D302 PolarHBondContact OH-OD2 2.83Å; Y297-F333 AromaticContact CD2-CE1 3.94Å; Y297-F333 HydrophobicContact CD2-CE1 3.94Å; Y297-F333 HydrophobicContact CD2-CZ 4.16Å; Y297-F333 AromaticContact CE2-CE1 3.65Å; Y297-F333 HydrophobicContact CE2-CE1 3.65Å; Y297-F333 HydrophobicContact CE2-CZ 4.31Å
298W95.9Very high93Very high21 Ų2155.7 Ų55.78%0.0829%0.294CS..  trans-121.993-179-179.474.9000107.9I264 P287 T296 D300 L301 G396 F399I264-W298 HydrophobicContact CD1-CH2 3.96Å; I264-W298 HydrophobicContact CD1-CZ2 3.36Å; I264-W298 HydrophobicContact CG1-CZ2 4.45Å; P287-W298 CarbonylContact C-O 3.54Å; P287-W298 WeakPolarHBondContact CB-O 3.49Å; P287-W298 PolarHBondContact O-N 3.12Å; T296-W298 PolarHBondContact O-N 2.81Å; W298-D300 VanDerWaalsContact C-N 3.3Å; W298-D300 HydrophobicContact CD2-CB 3.96Å; W298-D300 HydrophobicContact CE3-CB 4.29Å; W298-D300 HydrophobicContact CH2-CB 3.96Å; W298-D300 HydrophobicContact CZ2-CB 3.59Å; W298-D300 HydrophobicContact CZ3-CB 4.28Å; W298-D300 PolarHBondContact NE1-OD2 3.3Å; W298-D300 PolarHBondContact O-N 2.82Å; W298-L301 HydrophobicContact CH2-CB 4.43Å; W298-L301 HydrophobicContact CH2-CD1 3.81Å; W298-L301 HydrophobicContact CH2-CG 3.72Å; W298-L301 HydrophobicContact CZ3-CB 4.21Å; W298-L301 HydrophobicContact CZ3-CD1 4.03Å; W298-L301 HydrophobicContact CZ3-CG 3.97Å; W298-G396 VanDerWaalsContact CE3-CA 3.47Å; W298-F399 HydrophobicContact CH2-CB 4.35Å; W298-F399 AromaticContact CH2-CD2 3.42Å; W298-F399 HydrophobicContact CH2-CD2 3.42Å; W298-F399 VanDerWaalsContact CH2-CD2 3.42Å; W298-F399 HydrophobicContact CH2-CE2 4.01Å; W298-F399 HydrophobicContact CH2-CG 4.05Å; W298-F399 HydrophobicContact CZ2-CB 3.95Å; W298-F399 AromaticContact CZ2-CD2 3.92Å; W298-F399 HydrophobicContact CZ2-CD2 3.92Å; W298-F399 HydrophobicContact CZ2-CG 4.14Å; W298-F399 HydrophobicContact CZ3-CD2 4.3Å
299P95.8Very high93.1Very high53 Ų5355.1 Ų55.134%0.34429%0.291SS..  trans-78-13.1-167.129.7-34.7000114.1Y297 L301 D302 A303Y297-P299 HydrophobicContact CD1-CB 4.26Å; Y297-P299 HydrophobicContact CE1-CB 3.56Å; Y297-P299 HydrophobicContact CE1-CG 4.32Å; P299-L301 PolarHBondContact O-N 2.69Å; P299-D302 PolarHBondContact O-N 3.38Å; P299-A303 WeakPolarHBondContact O-CB 3.35Å; P299-A303 PolarHBondContact O-N 3.08Å
300D95.6Very high93.2Very high53 Ų5356.5 Ų56.528%0.28330%0.299SS..Hα-helixtrans-41.4-72.3-166-77.4-87.7000115.9I264 Y268 W298 K304I264-D300 HydrophobicContact CD1-CB 3.59Å; Y268-D300 WeakPolarHBondContact OH-CA 3.19Å; Y268-D300 WeakPolarHBondContact OH-CB 3.46Å; Y268-D300 VanDerWaalsContact OH-CG 3.25Å; Y268-D300 PolarHBondContact OH-OD1 3.1Å; W298-D300 VanDerWaalsContact C-N 3.3Å; W298-D300 HydrophobicContact CD2-CB 3.96Å; W298-D300 HydrophobicContact CE3-CB 4.29Å; W298-D300 HydrophobicContact CH2-CB 3.96Å; W298-D300 HydrophobicContact CZ2-CB 3.59Å; W298-D300 HydrophobicContact CZ3-CB 4.28Å; W298-D300 PolarHBondContact NE1-OD2 3.3Å; W298-D300 PolarHBondContact O-N 2.82Å; D300-K304 PolarHBondContact O-N 3.41Å
301L97.1Very high93.5Very high1 Ų161.2 Ų61.21%0.00532%0.321CS..Hα-helixtrans-71.7-32.9-178.9-64.2177.9000112.9I264 I267 Y268 W298 P299 K304 I305 W394 F399I264-L301 HydrophobicContact CG1-CD2 4.28Å; I267-L301 HydrophobicContact CB-CD2 4.08Å; I267-L301 HydrophobicContact CD1-CD1 4.46Å; I267-L301 HydrophobicContact CD1-CD2 4.4Å; I267-L301 HydrophobicContact CG2-CD2 3.48Å; I267-L301 VanDerWaalsContact CG2-CD2 3.48Å; Y268-L301 HydrophobicContact CD1-CD2 4.08Å; Y268-L301 HydrophobicContact CE1-CD2 3.8Å; W298-L301 HydrophobicContact CH2-CB 4.43Å; W298-L301 HydrophobicContact CH2-CD1 3.81Å; W298-L301 HydrophobicContact CH2-CG 3.72Å; W298-L301 HydrophobicContact CZ3-CB 4.21Å; W298-L301 HydrophobicContact CZ3-CD1 4.03Å; W298-L301 HydrophobicContact CZ3-CG 3.97Å; P299-L301 PolarHBondContact O-N 2.69Å; L301-K304 PolarHBondContact O-N 3.25Å; L301-I305 WeakPolarHBondContact O-CG1 3.31Å; L301-I305 PolarHBondContact O-N 2.92Å; L301-W394 HydrophobicContact CB-CE3 4.03Å; L301-W394 HydrophobicContact CB-CZ3 4.34Å; L301-W394 HydrophobicContact CD1-CB 4.06Å; L301-W394 HydrophobicContact CD1-CD2 3.64Å; L301-W394 HydrophobicContact CD1-CE3 3.88Å; L301-W394 HydrophobicContact CD1-CG 3.69Å; L301-W394 HydrophobicContact CG-CE3 4.48Å; L301-F399 HydrophobicContact CD1-CD2 4.38Å; L301-F399 HydrophobicContact CD1-CE2 3.63Å; L301-F399 HydrophobicContact CD1-CZ 3.85Å
302D97Very high94Very high1 Ų161 Ų611%0.00531%0.312CS..Hα-helixtrans-64.1-42.5178.4-172.281.1000111.3Y285 P287 Y297 P299 I305 R306Y285-D302 WeakPolarHBondContact OH-CA 3.2Å; Y285-D302 WeakPolarHBondContact OH-CB 3.29Å; Y285-D302 PolarHBondContact OH-OD1 3.24Å; P287-D302 HydrophobicContact CB-CB 3.88Å; P287-D302 HydrophobicContact CG-CB 3.67Å; Y297-D302 PolarHBondContact OH-OD2 2.83Å; P299-D302 PolarHBondContact O-N 3.38Å; D302-I305 PolarHBondContact O-N 3.49Å; D302-R306 WeakPolarHBondContact O-CG 3.15Å; D302-R306 PolarHBondContact O-N 3.32Å; D302-R306 IonicContact OD1-NH2 3.99Å; D302-R306 IonicContact OD2-CZ 2.92Å; D302-R306 VanDerWaalsContact OD2-CZ 3.25Å; D302-R306 IonicContact OD2-NE 3.02Å; D302-R306 PolarHBondContact OD2-NE 3.02Å; D302-R306 IonicContact OD2-NH2 3.8Å; D302-R306 PolarHBondContact OD2-NH2 2.83Å
303A97.1Very high94.9Very high45 Ų4558.7 Ų58.737%0.37230%0.296SS..Hα-helixtrans-63.5-41.1176.300000111.2P299 R306 E307P299-A303 WeakPolarHBondContact O-CB 3.35Å; P299-A303 PolarHBondContact O-N 3.08Å; A303-R306 WeakPolarHBondContact O-CB 3.29Å; A303-R306 PolarHBondContact O-N 3.34Å; A303-E307 WeakPolarHBondContact O-CB 3.17Å; A303-E307 PolarHBondContact O-N 3.12Å
304K97.5Very high95.6Very high37 Ų3752.6 Ų52.616%0.16126%0.258CS..Hα-helixtrans-65.4-38.1175.6-76.4-58.3-168.1171.40113.6Y268 I271 D272 D300 L301 E307 A308Y268-K304 HydrophobicContact CD1-CB 4.38Å; Y268-K304 HydrophobicContact CD1-CD 4.37Å; Y268-K304 HydrophobicContact CD1-CG 3.48Å; Y268-K304 VanDerWaalsContact CD1-CG 3.48Å; Y268-K304 HydrophobicContact CE1-CB 4.41Å; Y268-K304 HydrophobicContact CE1-CG 3.5Å; Y268-K304 HydrophobicContact CG-CG 4.22Å; I271-K304 HydrophobicContact CD1-CB 4.08Å; I271-K304 HydrophobicContact CG2-CB 4.33Å; D272-K304 VanDerWaalsContact CG-NZ 3.29Å; D272-K304 IonicContact OD1-NZ 2.71Å; D272-K304 PolarHBondContact OD1-NZ 3.31Å; D272-K304 IonicContact OD2-NZ 3.54Å; D272-K304 PolarHBondContact OD2-NZ 3.4Å; D300-K304 PolarHBondContact O-N 3.41Å; L301-K304 PolarHBondContact O-N 3.25Å; K304-E307 WeakPolarHBondContact CD-OE2 3.48Å; K304-E307 IonicContact NZ-OE2 3.47Å; K304-E307 PolarHBondContact NZ-OE2 2.92Å; K304-E307 PolarHBondContact O-N 3.05Å; K304-A308 WeakPolarHBondContact O-CB 3.35Å; K304-A308 PolarHBondContact O-N 3.44Å
305I97.8Very high96Very high2 Ų251.9 Ų51.91%0.0125%0.252CS..Hα-helixtrans-62.1-46.5171.6-68.6160.9000110.3I280 Y285 L301 D302 E307 A308 L309 V316 L318 L337 W394I280-I305 HydrophobicContact CD1-CD1 4.23Å; I280-I305 HydrophobicContact CD1-CG1 4.25Å; Y285-I305 HydrophobicContact CE2-CD1 3.71Å; L301-I305 WeakPolarHBondContact O-CG1 3.31Å; L301-I305 PolarHBondContact O-N 2.92Å; D302-I305 PolarHBondContact O-N 3.49Å; I305-E307 PolarHBondContact O-N 3.24Å; I305-A308 PolarHBondContact O-N 2.69Å; I305-L309 HydrophobicContact CG2-CD1 3.73Å; I305-L309 HydrophobicContact CG2-CG 4.38Å; I305-L309 WeakPolarHBondContact O-CB 3.13Å; I305-L309 VanDerWaalsContact O-CG 3.3Å; I305-L309 WeakPolarHBondContact O-CG 3.41Å; I305-L309 PolarHBondContact O-N 2.93Å; I305-V316 HydrophobicContact CG2-CG1 4.2Å; I305-L318 HydrophobicContact CD1-CD2 4.12Å; I305-L337 HydrophobicContact CG2-CD1 4.5Å; I305-L337 HydrophobicContact CG2-CD2 4.13Å; I305-W394 HydrophobicContact CD1-CE3 4.12Å; I305-W394 HydrophobicContact CD1-CZ3 3.73Å; I305-W394 HydrophobicContact CG1-CZ3 4.18Å
306R96.7Very high96.3Very high45 Ų4544.8 Ų44.817%0.1723%0.225CC..Hα-helixtrans-60.8-44.9178.2-70174.2-167.7-84-3.7112D302 A303 A308 L309 V310 S336 L337 I340D302-R306 WeakPolarHBondContact O-CG 3.15Å; D302-R306 PolarHBondContact O-N 3.32Å; D302-R306 IonicContact OD1-NH2 3.99Å; D302-R306 IonicContact OD2-CZ 2.92Å; D302-R306 VanDerWaalsContact OD2-CZ 3.25Å; D302-R306 IonicContact OD2-NE 3.02Å; D302-R306 PolarHBondContact OD2-NE 3.02Å; D302-R306 IonicContact OD2-NH2 3.8Å; D302-R306 PolarHBondContact OD2-NH2 2.83Å; A303-R306 WeakPolarHBondContact O-CB 3.29Å; A303-R306 PolarHBondContact O-N 3.34Å; R306-A308 PolarHBondContact O-N 3.32Å; R306-L309 PolarHBondContact O-N 3.5Å; R306-V310 WeakPolarHBondContact O-CB 3.35Å; R306-V310 WeakPolarHBondContact O-CG2 3.38Å; R306-V310 PolarHBondContact O-N 3.42Å; R306-S336 PolarHBondContact NH1-OG 2.99Å; R306-S336 PolarHBondContact NH2-OG 3.08Å; R306-L337 HydrophobicContact CG-CD2 3.57Å; R306-I340 HydrophobicContact CB-CD1 4.1Å; R306-I340 HydrophobicContact CG-CD1 3.93Å
307E96.3Very high96.5Very high67 Ų6743 Ų4331%0.31321%0.212SC..Hα-helixtrans-57.7-49.5177.1-165.6-162.814600110.9A303 K304 I305 L309 V310 L311A303-E307 WeakPolarHBondContact O-CB 3.17Å; A303-E307 PolarHBondContact O-N 3.12Å; K304-E307 WeakPolarHBondContact CD-OE2 3.48Å; K304-E307 IonicContact NZ-OE2 3.47Å; K304-E307 PolarHBondContact NZ-OE2 2.92Å; K304-E307 PolarHBondContact O-N 3.05Å; I305-E307 PolarHBondContact O-N 3.24Å; E307-L309 VanDerWaalsContact C-N 3.34Å; E307-L309 PolarHBondContact O-N 3.21Å; E307-V310 PolarHBondContact O-N 3.22Å; E307-L311 HydrophobicContact CG-CD1 3.85Å; E307-L311 HydrophobicContact CG-CG 4.46Å; E307-L311 WeakPolarHBondContact O-CB 3.46Å; E307-L311 PolarHBondContact O-N 2.92Å
308A97.1Very high96.6Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-61-41.5179.100000112.6I271 K304 I305 R306 R312 S313 V314I271-A308 HydrophobicContact CG2-CB 4.01Å; K304-A308 WeakPolarHBondContact O-CB 3.35Å; K304-A308 PolarHBondContact O-N 3.44Å; I305-A308 PolarHBondContact O-N 2.69Å; R306-A308 PolarHBondContact O-N 3.32Å; A308-R312 CarbonylContact O-C 3.38Å; A308-S313 PolarHBondContact O-N 3.35Å; A308-V314 HydrophobicContact CB-CB 4.27Å; A308-V314 PolarHBondContact O-N 3.44Å
309L96.1Very high96.7Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-67.5-48.7179-76.5168.1000112.6I305 R306 E307 S313 V316 L349I305-L309 HydrophobicContact CG2-CD1 3.73Å; I305-L309 HydrophobicContact CG2-CG 4.38Å; I305-L309 WeakPolarHBondContact O-CB 3.13Å; I305-L309 VanDerWaalsContact O-CG 3.3Å; I305-L309 WeakPolarHBondContact O-CG 3.41Å; I305-L309 PolarHBondContact O-N 2.93Å; R306-L309 PolarHBondContact O-N 3.5Å; E307-L309 VanDerWaalsContact C-N 3.34Å; E307-L309 PolarHBondContact O-N 3.21Å; L309-S313 WeakPolarHBondContact O-CA 3.4Å; L309-V316 HydrophobicContact CD2-CB 3.87Å; L309-V316 HydrophobicContact CD2-CG2 3.61Å; L309-V316 HydrophobicContact CG-CB 4.3Å; L309-V316 HydrophobicContact CG-CG2 3.74Å; L309-L349 HydrophobicContact CD1-CB 3.99Å; L309-L349 HydrophobicContact CD1-CD1 4.2Å; L309-L349 HydrophobicContact CD1-CD2 4.09Å; L309-L349 HydrophobicContact CD1-CG 4.32Å; L309-L349 HydrophobicContact CD2-CB 3.81Å
310V94.6Very high96.8Very high43 Ų4333.5 Ų33.526%0.26117%0.168SC..Hα-helixtrans-88.7-45.2-167.1175.30000112R306 E307 I340 I344R306-V310 WeakPolarHBondContact O-CB 3.35Å; R306-V310 WeakPolarHBondContact O-CG2 3.38Å; R306-V310 PolarHBondContact O-N 3.42Å; E307-V310 PolarHBondContact O-N 3.22Å; V310-I340 HydrophobicContact CG2-CD1 3.76Å; V310-I340 HydrophobicContact CG2-CG1 3.91Å; V310-I340 HydrophobicContact CG2-CG2 4.04Å; V310-I344 HydrophobicContact CB-CD1 4.35Å; V310-I344 HydrophobicContact CG1-CD1 3.77Å; V310-I344 HydrophobicContact CG2-CD1 3.89Å
311L94Very high96.8Very high132 Ų13231 Ų3169%0.69116%0.155SC*.THydrogen-bonded Turntrans-93-23.4-171.8-56.5-175.3000113E307E307-L311 HydrophobicContact CG-CD1 3.85Å; E307-L311 HydrophobicContact CG-CG 4.46Å; E307-L311 WeakPolarHBondContact O-CB 3.46Å; E307-L311 PolarHBondContact O-N 2.92Å
312R94.9Very high96.5Very high70 Ų7034.1 Ų34.126%0.26417%0.169SC..SBendtrans-119.3-2.5-176.1-61.8-170.6-71.5132.6-6.3114.2I271 D272 A274 A308 V314I271-R312 PolarHBondContact O-NH1 3.12Å; I271-R312 PolarHBondContact O-NH2 2.96Å; D272-R312 PolarHBondContact O-NH1 3.34Å; D272-R312 IonicContact OD1-NH2 3.77Å; A274-R312 PolarHBondContact O-NH1 3.12Å; A308-R312 CarbonylContact O-C 3.38Å; R312-V314 HydrophobicContact CB-CG2 3.84Å; R312-V314 PolarHBondContact O-N 3.22Å; R312-V314 VanDerWaalsContact O-N 3.1Å
313S94.9Very high96Very high64 Ų6436.5 Ų36.545%0.44818%0.177SC..  trans50.732.7-178.3-53.10000113.9A308 L309A308-S313 PolarHBondContact O-N 3.35Å; L309-S313 WeakPolarHBondContact O-CA 3.4Å
314V97.3Very high95.4Very high2 Ų242.8 Ų42.81%0.01220%0.197CC..  trans-77.2135.4178.7176.80000109.3A274 V278 A308 R312 V316A274-V314 HydrophobicContact CB-CG1 4.42Å; V278-V314 HydrophobicContact CG2-CG1 3.82Å; A308-V314 HydrophobicContact CB-CB 4.27Å; A308-V314 PolarHBondContact O-N 3.44Å; R312-V314 HydrophobicContact CB-CG2 3.84Å; R312-V314 PolarHBondContact O-N 3.22Å; R312-V314 VanDerWaalsContact O-N 3.1Å; V314-V316 PolarHBondContact O-N 3.11Å
315R97.8Very high94.9Very high121 Ų12146 Ų4646%0.45721%0.212SC..EExtended strand (participates in β ladder)trans-74.4118178.7176.2178.3-56.2157.77.9111Q276 Y277 V278 Y279 S348Q276-R315 WeakPolarHBondContact O-CB 2.85Å; Q276-R315 PolarHBondContact O-N 3.28Å; Q276-R315 VanDerWaalsContact O-N 3.08Å; Y277-R315 CarbonylContact C-O 3.58Å; Y277-R315 WeakPolarHBondContact CA-O 3.17Å; Y277-R315 WeakPolarHBondContact CB-O 3.48Å; V278-R315 PolarHBondContact N-O 3.29Å; Y279-R315 HydrophobicContact CE1-CG 4.48Å; R315-S348 WeakPolarHBondContact CG-OG 3.43Å
316V98.4Very high94.5Very high1 Ų146.5 Ų46.51%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-106.8131.7177.6-170.90000111.4V278 I280 I305 L309 V314 L318 S348 L349 K350V278-V316 HydrophobicContact CB-CG2 4.35Å; V278-V316 VanDerWaalsContact O-CA 3.29Å; V278-V316 WeakPolarHBondContact O-CA 3.39Å; I280-V316 HydrophobicContact CD1-CG1 4.17Å; I305-V316 HydrophobicContact CG2-CG1 4.2Å; L309-V316 HydrophobicContact CD2-CB 3.87Å; L309-V316 HydrophobicContact CD2-CG2 3.61Å; L309-V316 HydrophobicContact CG-CB 4.3Å; L309-V316 HydrophobicContact CG-CG2 3.74Å; V314-V316 PolarHBondContact O-N 3.11Å; V316-L318 HydrophobicContact CG1-CD1 3.61Å; V316-L318 HydrophobicContact CG1-CG 4.37Å; V316-S348 PolarHBondContact N-O 3.19Å; V316-L349 HydrophobicContact CB-CD1 4.05Å; V316-L349 HydrophobicContact CG1-CD1 4.17Å; V316-L349 WeakPolarHBondContact O-CA 3.48Å; V316-K350 PolarHBondContact O-N 3.12Å
317R98.6Very high94.3Very high19 Ų1946 Ų467%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-121.9121.5168.4-66.4-178.8179.3163.1-4.3109.5V278 Y279 I280 K350 F428 E429 W432 Y433V278-R317 PolarHBondContact O-N 3.21Å; Y279-R317 WeakPolarHBondContact CA-O 3.47Å; Y279-R317 HydrophobicContact CD1-CB 3.59Å; Y279-R317 HydrophobicContact CD1-CG 3.77Å; Y279-R317 HydrophobicContact CE1-CB 4.03Å; Y279-R317 VanDerWaalsContact CE1-CD 3.5Å; Y279-R317 HydrophobicContact CE1-CG 3.65Å; Y279-R317 HydrophobicContact CG-CB 4.26Å; Y279-R317 PolarHBondContact OH-NH1 3.02Å; I280-R317 PolarHBondContact N-O 3.11Å; R317-K350 CarbonylContact C-O 3.49Å; R317-K350 VanDerWaalsContact CA-O 3.28Å; R317-K350 WeakPolarHBondContact CA-O 3.43Å; R317-K350 HydrophobicContact CG-CB 4.45Å; R317-F428 HydrophobicContact CB-CE1 3.84Å; R317-F428 HydrophobicContact CB-CZ 3.72Å; R317-E429 IonicContact NH1-OE1 2.8Å; R317-E429 PolarHBondContact NH1-OE1 2.94Å; R317-W432 HydrophobicContact CB-CE3 4.25Å; R317-W432 HydrophobicContact CB-CH2 3.84Å; R317-W432 HydrophobicContact CB-CZ2 4.3Å; R317-W432 HydrophobicContact CB-CZ3 3.81Å; R317-W432 HydrophobicContact CG-CH2 4.07Å; R317-W432 HydrophobicContact CG-CZ2 4.04Å; R317-W432 HydrophobicContact CG-CZ3 4.44Å; R317-Y433 PolarHBondContact NH2-OH 2.89Å; R317-Y433 VanDerWaalsContact NH2-OH 3.16Å
318L98.3Very high94.1Very high0 Ų047.3 Ų47.30%023%0.23CC..EExtended strand (participates in β ladder)trans-107.5122.3173-66.395.7000110.5I280 Y285 I305 V316 I320 L349 K350 V351 K352 W432I280-L318 HydrophobicContact CB-CG 4.47Å; I280-L318 HydrophobicContact CD1-CD2 4.47Å; I280-L318 HydrophobicContact CD1-CG 4.24Å; Y285-L318 HydrophobicContact CD2-CD2 3.95Å; Y285-L318 HydrophobicContact CE2-CD2 4Å; Y285-L318 HydrophobicContact CG-CD2 4.4Å; I305-L318 HydrophobicContact CD1-CD2 4.12Å; V316-L318 HydrophobicContact CG1-CD1 3.61Å; V316-L318 HydrophobicContact CG1-CG 4.37Å; L318-I320 HydrophobicContact CB-CD1 4.31Å; L318-I320 HydrophobicContact CB-CG1 4.35Å; L318-L349 HydrophobicContact CD1-CD1 3.37Å; L318-K350 PolarHBondContact N-O 3.2Å; L318-V351 HydrophobicContact CB-CG1 4.14Å; L318-V351 HydrophobicContact CB-CG2 4.16Å; L318-V351 HydrophobicContact CD1-CG2 4Å; L318-V351 WeakPolarHBondContact O-CA 3.48Å; L318-K352 PolarHBondContact O-N 3.32Å; L318-W432 WeakPolarHBondContact O-CZ3 3.5Å
319L98.2Very high93.9Very high0 Ų050.1 Ų50.10%025%0.245CC..EExtended strand (participates in β ladder)trans-108.6109.4170.9-171.765.1000108.4I280 A281 V282 K352 F354 F428 D431 W432 A437I280-L319 PolarHBondContact O-N 2.82Å; A281-L319 WeakPolarHBondContact CA-O 3.32Å; A281-L319 HydrophobicContact CB-CB 4.47Å; V282-L319 PolarHBondContact N-O 3.36Å; V282-L319 VanDerWaalsContact N-O 3.13Å; L319-K352 WeakPolarHBondContact CA-O 3.42Å; L319-K352 HydrophobicContact CD1-CB 3.92Å; L319-F354 HydrophobicContact CD1-CB 4.1Å; L319-F354 HydrophobicContact CD1-CD2 4.18Å; L319-F354 HydrophobicContact CD2-CD2 4.15Å; L319-F354 HydrophobicContact CG-CB 4.27Å; L319-F354 HydrophobicContact CG-CD2 4.46Å; L319-F428 HydrophobicContact CB-CE2 3.85Å; L319-F428 HydrophobicContact CB-CZ 4.15Å; L319-D431 HydrophobicContact CD2-CB 3.82Å; L319-W432 HydrophobicContact CB-CE3 4.23Å; L319-W432 HydrophobicContact CB-CZ3 4.38Å; L319-W432 HydrophobicContact CD1-CE3 4.22Å; L319-A437 HydrophobicContact CD1-CB 3.85Å
320I97.4Very high93.8Very high0 Ų050.3 Ų50.30%025%0.246CC..EExtended strand (participates in β ladder)trans-115.3139.5-173.4-57.1161.7000108.3V282 M283 Y285 L318 I334 V351 K352 F353 F354V282-I320 HydrophobicContact CG2-CG1 4.21Å; V282-I320 WeakPolarHBondContact O-CA 3.41Å; M283-I320 WeakPolarHBondContact O-CG2 3.31Å; Y285-I320 HydrophobicContact CG-CD1 4.26Å; L318-I320 HydrophobicContact CB-CD1 4.31Å; L318-I320 HydrophobicContact CB-CG1 4.35Å; I320-I334 HydrophobicContact CD1-CD1 3.69Å; I320-I334 HydrophobicContact CD1-CG1 4.04Å; I320-V351 HydrophobicContact CD1-CG1 3.92Å; I320-K352 PolarHBondContact N-O 3.18Å; I320-F353 HydrophobicContact CB-CD1 4.09Å; I320-F353 HydrophobicContact CB-CE1 4.14Å; I320-F353 HydrophobicContact CD1-CE1 4.47Å; I320-F353 HydrophobicContact CG2-CD1 4.3Å; I320-F353 HydrophobicContact CG2-CE1 4.13Å; I320-F353 CarbonylContact O-C 3.6Å; I320-F353 WeakPolarHBondContact O-CA 3.33Å; I320-F354 PolarHBondContact O-N 2.63Å
321S94.9Very high93.8Very high1 Ų150 Ų501%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-69142.8174.6-66.90000111.5V282 M283 N376V282-S321 PolarHBondContact O-N 3.28Å; M283-S321 WeakPolarHBondContact O-CB 3.45Å; M283-S321 PolarHBondContact O-N 3.19Å; M283-S321 VanDerWaalsContact O-N 3.08Å; S321-N376 WeakPolarHBondContact CB-O 2.98Å; S321-N376 VanDerWaalsContact OG-CB 3.25Å; S321-N376 WeakPolarHBondContact OG-CB 3.03Å; S321-N376 PolarHBondContact OG-O 3.09Å
322F91.8Very high93.9Very high67 Ų6748.7 Ų48.729%0.29424%0.235SC..  trans-114.3122.2171.6179.3-111000109.5F331 F353 F354 D355 L440F322-F331 AromaticContact CD2-CZ 3.89Å; F322-F331 HydrophobicContact CD2-CZ 3.89Å; F322-F331 HydrophobicContact CE2-CE2 4.31Å; F322-F331 AromaticContact CE2-CZ 3.66Å; F322-F331 HydrophobicContact CE2-CZ 3.66Å; F322-F353 HydrophobicContact CB-CB 3.94Å; F322-F353 HydrophobicContact CB-CD1 4.12Å; F322-F353 HydrophobicContact CB-CG 4.41Å; F322-F354 PolarHBondContact N-O 3.42Å; F322-D355 HydrophobicContact CB-CB 4.34Å; F322-D355 HydrophobicContact CD1-CB 4.21Å; F322-L440 HydrophobicContact CB-CD1 3.92Å; F322-L440 HydrophobicContact CD1-CD1 3.74Å; F322-L440 HydrophobicContact CD2-CD1 3.67Å; F322-L440 HydrophobicContact CE1-CD1 4.14Å; F322-L440 HydrophobicContact CE2-CD1 4.09Å; F322-L440 HydrophobicContact CG-CD1 3.48Å; F322-L440 VanDerWaalsContact CG-CD1 3.48Å; F322-L440 HydrophobicContact CZ-CD1 4.3Å
323W86.9Confident93.9Very high50 Ų5047 Ų4719%0.18923%0.23CC..  trans-152.2171.5-174.466.3-63.7000110.6M283 D284 E325 T326 L375M283-W323 HydrophobicContact CE-CZ2 4.03Å; D284-W323 PolarHBondContact OD1-NE1 2.64Å; W323-E325 HydrophobicContact CD2-CB 4.06Å; W323-E325 HydrophobicContact CE3-CB 3.82Å; W323-E325 HydrophobicContact CE3-CG 4.21Å; W323-E325 HydrophobicContact CH2-CB 3.47Å; W323-E325 VanDerWaalsContact CH2-CB 3.47Å; W323-E325 HydrophobicContact CH2-CG 4.01Å; W323-E325 HydrophobicContact CZ2-CB 3.73Å; W323-E325 HydrophobicContact CZ3-CB 3.52Å; W323-E325 HydrophobicContact CZ3-CG 3.73Å; W323-E325 WeakPolarHBondContact CZ3-OE2 3.38Å; W323-E325 PolarHBondContact O-N 2.84Å; W323-T326 PolarHBondContact N-OG1 3.38Å; W323-T326 WeakPolarHBondContact O-CB 3.49Å; W323-T326 PolarHBondContact O-N 2.99Å; W323-T326 VanDerWaalsContact O-N 3.12Å; W323-T326 PolarHBondContact O-OG1 2.87Å; W323-L375 HydrophobicContact CB-CD2 3.23Å; W323-L375 HydrophobicContact CD2-CD1 4.2Å; W323-L375 HydrophobicContact CD2-CD2 4.05Å; W323-L375 HydrophobicContact CE3-CD1 3.76Å; W323-L375 HydrophobicContact CE3-CD2 4.08Å; W323-L375 HydrophobicContact CG-CD2 3.73Å; W323-L375 HydrophobicContact CZ3-CD1 4.14Å
324K84.1Confident93.9Very high178 Ų17844.1 Ų44.177%0.77421%0.209SC*.THydrogen-bonded Turntrans-60.4-32.7-170.3178.4-174.2174.2-162.60113.2
325E86.8Confident93.8Very high104 Ų10447.1 Ų47.149%0.48623%0.23SC..THydrogen-bonded Turntrans-93.24.1-178.1-65.367.5-155.300113.6W323 D327W323-E325 HydrophobicContact CD2-CB 4.06Å; W323-E325 HydrophobicContact CE3-CB 3.82Å; W323-E325 HydrophobicContact CE3-CG 4.21Å; W323-E325 HydrophobicContact CH2-CB 3.47Å; W323-E325 VanDerWaalsContact CH2-CB 3.47Å; W323-E325 HydrophobicContact CH2-CG 4.01Å; W323-E325 HydrophobicContact CZ2-CB 3.73Å; W323-E325 HydrophobicContact CZ3-CB 3.52Å; W323-E325 HydrophobicContact CZ3-CG 3.73Å; W323-E325 WeakPolarHBondContact CZ3-OE2 3.38Å; W323-E325 PolarHBondContact O-N 2.84Å; E325-D327 PolarHBondContact O-N 2.8Å; E325-D327 VanDerWaalsContact O-N 3.13Å
326T89.8Confident93.6Very high13 Ų1343.9 Ų43.98%0.0823%0.226CC..  trans-55.8118.9174.5-59.50000110.7W323 T330 F331W323-T326 PolarHBondContact N-OG1 3.38Å; W323-T326 WeakPolarHBondContact O-CB 3.49Å; W323-T326 PolarHBondContact O-N 2.99Å; W323-T326 VanDerWaalsContact O-N 3.12Å; W323-T326 PolarHBondContact O-OG1 2.87Å; T326-T330 HydrophobicContact CG2-CG2 4.36Å; T326-F331 HydrophobicContact CG2-CE2 4.44Å
327D92.3Very high93.4Very high34 Ų3443.8 Ų43.818%0.18223%0.226CC..  trans-62.8129-178.9-171.3-58.9000109.9L286 R295 E325 L329 T330L286-D327 HydrophobicContact CD1-CB 4.38Å; L286-D327 HydrophobicContact CD2-CB 4Å; R295-D327 IonicContact CZ-OD2 3.62Å; R295-D327 IonicContact NH1-OD2 2.83Å; R295-D327 PolarHBondContact NH1-OD2 2.98Å; R295-D327 IonicContact NH2-OD2 3.51Å; E325-D327 PolarHBondContact O-N 2.8Å; E325-D327 VanDerWaalsContact O-N 3.13Å; D327-L329 PolarHBondContact O-N 2.99Å; D327-L329 VanDerWaalsContact O-N 3.09Å; D327-L329 VanDerWaalsContact OD1-CB 3.26Å; D327-L329 WeakPolarHBondContact OD1-CB 3.29Å; D327-L329 WeakPolarHBondContact OD1-CG 3.03Å; D327-L329 PolarHBondContact OD1-N 2.83Å; D327-T330 WeakPolarHBondContact O-CB 3.44Å; D327-T330 PolarHBondContact O-N 2.96Å; D327-T330 PolarHBondContact O-OG1 2.88Å
328P91.6Very high93.2Very high95 Ų9546.5 Ų46.562%0.61724%0.238SC*.THydrogen-bonded Turntrans-55.1-28.9-179.7-27.635000114.4T330 F331P328-T330 PolarHBondContact O-N 3.16Å; P328-F331 PolarHBondContact O-N 2.92Å; P328-F331 VanDerWaalsContact O-N 3.16Å
329L93.6Very high92.9Very high59 Ų5949.5 Ų49.531%0.30926%0.262SS..Hα-helixtrans-65.1-21.3177.4-67177.1000112.7L286 I288 D327 F331 N332 F333L286-L329 HydrophobicContact CD1-CB 3.94Å; I288-L329 HydrophobicContact CD1-CD1 3.54Å; D327-L329 PolarHBondContact O-N 2.99Å; D327-L329 VanDerWaalsContact O-N 3.09Å; D327-L329 VanDerWaalsContact OD1-CB 3.26Å; D327-L329 WeakPolarHBondContact OD1-CB 3.29Å; D327-L329 WeakPolarHBondContact OD1-CG 3.03Å; D327-L329 PolarHBondContact OD1-N 2.83Å; L329-F331 PolarHBondContact O-N 2.82Å; L329-N332 WeakPolarHBondContact O-CA 3.44Å; L329-N332 WeakPolarHBondContact O-CB 3.44Å; L329-N332 PolarHBondContact O-N 3.44Å; L329-F333 HydrophobicContact CB-CD2 4.28Å; L329-F333 HydrophobicContact CB-CE2 4.15Å; L329-F333 WeakPolarHBondContact O-CD2 3.14Å; L329-F333 PolarHBondContact O-N 2.88Å
330T94.4Very high92.6Very high3 Ų352 Ų522%0.01828%0.275CS..Hα-helixtrans-49.8-47.5170.3-56.90000110.5Y285 T326 D327 P328 N332 F333 I334 F353Y285-T330 WeakPolarHBondContact O-CG2 3.44Å; Y285-T330 PolarHBondContact O-OG1 3.45Å; T326-T330 HydrophobicContact CG2-CG2 4.36Å; D327-T330 WeakPolarHBondContact O-CB 3.44Å; D327-T330 PolarHBondContact O-N 2.96Å; D327-T330 PolarHBondContact O-OG1 2.88Å; P328-T330 PolarHBondContact O-N 3.16Å; T330-N332 VanDerWaalsContact C-N 3.3Å; T330-N332 PolarHBondContact O-N 2.86Å; T330-F333 PolarHBondContact O-N 2.73Å; T330-I334 WeakPolarHBondContact O-CB 3.33Å; T330-I334 VanDerWaalsContact O-CG1 3.27Å; T330-I334 WeakPolarHBondContact O-CG1 3.37Å; T330-I334 PolarHBondContact O-N 3.13Å; T330-F353 HydrophobicContact CG2-CE1 4.15Å; T330-F353 HydrophobicContact CG2-CZ 4.39Å
331F94.5Very high92.2Very high37 Ų3753 Ų5316%0.16228%0.282CS..Hα-helixtrans-64.6-34.4179.1-61.9-75.1000112.6F322 T326 P328 L329 S335 F353 L440F322-F331 AromaticContact CD2-CZ 3.89Å; F322-F331 HydrophobicContact CD2-CZ 3.89Å; F322-F331 HydrophobicContact CE2-CE2 4.31Å; F322-F331 AromaticContact CE2-CZ 3.66Å; F322-F331 HydrophobicContact CE2-CZ 3.66Å; T326-F331 HydrophobicContact CG2-CE2 4.44Å; P328-F331 PolarHBondContact O-N 2.92Å; P328-F331 VanDerWaalsContact O-N 3.16Å; L329-F331 PolarHBondContact O-N 2.82Å; F331-S335 WeakPolarHBondContact O-CB 3.23Å; F331-S335 PolarHBondContact O-N 2.98Å; F331-S335 PolarHBondContact O-OG 2.8Å; F331-F353 HydrophobicContact CD1-CE2 4.01Å; F331-F353 AromaticContact CD1-CZ 3.72Å; F331-F353 HydrophobicContact CD1-CZ 3.72Å; F331-F353 HydrophobicContact CE1-CD2 4.36Å; F331-F353 AromaticContact CE1-CE1 3.93Å; F331-F353 HydrophobicContact CE1-CE1 3.93Å; F331-F353 AromaticContact CE1-CE2 3.73Å; F331-F353 HydrophobicContact CE1-CE2 3.73Å; F331-F353 AromaticContact CE1-CZ 3.48Å; F331-F353 HydrophobicContact CE1-CZ 3.48Å; F331-F353 VanDerWaalsContact CE1-CZ 3.48Å; F331-F353 HydrophobicContact CZ-CE1 4.36Å; F331-F353 HydrophobicContact CZ-CZ 4.32Å; F331-L440 HydrophobicContact CE1-CB 4.43Å; F331-L440 HydrophobicContact CE1-CD1 4.39Å
332N94.7Very high91.8Very high104 Ų10457.7 Ų57.756%0.55631%0.311SS*.Hα-helixtrans-70.2-45.4178.7-65.612.5000111.2L329 T330 S335 S336L329-N332 WeakPolarHBondContact O-CA 3.44Å; L329-N332 WeakPolarHBondContact O-CB 3.44Å; L329-N332 PolarHBondContact O-N 3.44Å; T330-N332 VanDerWaalsContact C-N 3.3Å; T330-N332 PolarHBondContact O-N 2.86Å; N332-S335 WeakPolarHBondContact O-CB 3.06Å; N332-S335 PolarHBondContact O-N 3.18Å; N332-S336 PolarHBondContact O-N 2.8Å
333F95.8Very high91.4Very high35 Ų3562.8 Ų62.815%0.15434%0.336CS..Hα-helixtrans-63.6-42.3175.5-75.8-70.5000111.9Y285 L286 P287 I288 Y297 L329 T330 S335 S336 L337Y285-F333 HydrophobicContact CE1-CB 4.32Å; L286-F333 HydrophobicContact CD1-CD2 4.04Å; L286-F333 HydrophobicContact CD1-CE2 4.06Å; P287-F333 HydrophobicContact CB-CD1 4.21Å; P287-F333 HydrophobicContact CB-CE1 4.18Å; P287-F333 HydrophobicContact CB-CZ 4.49Å; P287-F333 HydrophobicContact CG-CB 4.42Å; P287-F333 HydrophobicContact CG-CD1 4.1Å; P287-F333 HydrophobicContact CG-CG 4.13Å; I288-F333 HydrophobicContact CD1-CE2 3.68Å; I288-F333 HydrophobicContact CD1-CZ 4.03Å; I288-F333 HydrophobicContact CG1-CE2 3.78Å; I288-F333 HydrophobicContact CG1-CZ 3.83Å; Y297-F333 AromaticContact CD2-CE1 3.94Å; Y297-F333 HydrophobicContact CD2-CE1 3.94Å; Y297-F333 HydrophobicContact CD2-CZ 4.16Å; Y297-F333 AromaticContact CE2-CE1 3.65Å; Y297-F333 HydrophobicContact CE2-CE1 3.65Å; Y297-F333 HydrophobicContact CE2-CZ 4.31Å; L329-F333 HydrophobicContact CB-CD2 4.28Å; L329-F333 HydrophobicContact CB-CE2 4.15Å; L329-F333 WeakPolarHBondContact O-CD2 3.14Å; L329-F333 PolarHBondContact O-N 2.88Å; T330-F333 PolarHBondContact O-N 2.73Å; F333-S335 VanDerWaalsContact C-N 3.3Å; F333-S335 PolarHBondContact O-N 3.49Å; F333-S336 WeakPolarHBondContact O-CB 3.36Å; F333-S336 PolarHBondContact O-N 2.95Å; F333-L337 PolarHBondContact O-N 3.01Å
334I95.2Very high91.4Very high3 Ų363.2 Ų63.22%0.01534%0.341CS..Hα-helixtrans-62.2-38.8174-67.4-50000111.7Y285 I320 T330 L337 K338 V351Y285-I334 HydrophobicContact CD1-CD1 3.65Å; Y285-I334 HydrophobicContact CD1-CG1 4.41Å; Y285-I334 HydrophobicContact CE1-CD1 3.88Å; Y285-I334 HydrophobicContact CG-CD1 4.44Å; I320-I334 HydrophobicContact CD1-CD1 3.69Å; I320-I334 HydrophobicContact CD1-CG1 4.04Å; T330-I334 WeakPolarHBondContact O-CB 3.33Å; T330-I334 VanDerWaalsContact O-CG1 3.27Å; T330-I334 WeakPolarHBondContact O-CG1 3.37Å; T330-I334 PolarHBondContact O-N 3.13Å; I334-L337 HydrophobicContact CD1-CD1 4.15Å; I334-L337 PolarHBondContact O-N 3.47Å; I334-K338 HydrophobicContact CG2-CD 4.25Å; I334-K338 WeakPolarHBondContact O-CG 3.3Å; I334-K338 PolarHBondContact O-N 2.82Å; I334-V351 HydrophobicContact CD1-CG1 4.11Å; I334-V351 HydrophobicContact CD1-CG2 4.36Å; I334-V351 HydrophobicContact CG1-CG1 4.28Å; I334-V351 HydrophobicContact CG2-CB 3.96Å; I334-V351 HydrophobicContact CG2-CG1 3.84Å; I334-V351 HydrophobicContact CG2-CG2 3.96Å
335S94.4Very high91.3Very high65 Ų6558.7 Ų58.746%0.45534%0.336SS..Hα-helixtrans-65.1-40.9175.6-60.10000111.5F331 N332 F333 K338 A339F331-S335 WeakPolarHBondContact O-CB 3.23Å; F331-S335 PolarHBondContact O-N 2.98Å; F331-S335 PolarHBondContact O-OG 2.8Å; N332-S335 WeakPolarHBondContact O-CB 3.06Å; N332-S335 PolarHBondContact O-N 3.18Å; F333-S335 VanDerWaalsContact C-N 3.3Å; F333-S335 PolarHBondContact O-N 3.49Å; S335-K338 PolarHBondContact O-N 3.41Å; S335-A339 WeakPolarHBondContact O-CB 3.46Å; S335-A339 PolarHBondContact O-N 2.88Å
336S94.6Very high91.2Very high53 Ų5360.2 Ų60.237%0.37135%0.348SS..Hα-helixtrans-61.2-42.9173.3174.90000112.4R306 N332 F333 A339 I340R306-S336 PolarHBondContact NH1-OG 2.99Å; R306-S336 PolarHBondContact NH2-OG 3.08Å; N332-S336 PolarHBondContact O-N 2.8Å; F333-S336 WeakPolarHBondContact O-CB 3.36Å; F333-S336 PolarHBondContact O-N 2.95Å; S336-A339 PolarHBondContact O-N 3.04Å; S336-I340 PolarHBondContact O-N 3.18Å
337L93.9Very high91.3Very high0 Ų060.7 Ų60.70%035%0.352CS..Hα-helixtrans-64.2-41.9175.1-78.3176.5000111.9Y285 I305 R306 F333 I334 A339 I340 L349Y285-L337 HydrophobicContact CE1-CD1 3.94Å; Y285-L337 WeakPolarHBondContact OH-CD1 3.27Å; I305-L337 HydrophobicContact CG2-CD1 4.5Å; I305-L337 HydrophobicContact CG2-CD2 4.13Å; R306-L337 HydrophobicContact CG-CD2 3.57Å; F333-L337 PolarHBondContact O-N 3.01Å; I334-L337 HydrophobicContact CD1-CD1 4.15Å; I334-L337 PolarHBondContact O-N 3.47Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-I340 WeakPolarHBondContact O-CG2 3.12Å; L337-I340 PolarHBondContact O-N 2.95Å; L337-L349 VanDerWaalsContact C-CD2 3.41Å; L337-L349 HydrophobicContact CB-CD2 3.56Å; L337-L349 WeakPolarHBondContact O-CD2 3.23Å
338K93.4Very high91.4Very high76 Ų7660.6 Ų60.633%0.3335%0.354SS..Hα-helixtrans-63.7-41.2176.3-74.4175.1179.6177.20111.9I334 S335 I340 C341 L349I334-K338 HydrophobicContact CG2-CD 4.25Å; I334-K338 WeakPolarHBondContact O-CG 3.3Å; I334-K338 PolarHBondContact O-N 2.82Å; S335-K338 PolarHBondContact O-N 3.41Å; K338-I340 PolarHBondContact O-N 3.2Å; K338-C341 PolarHBondContact O-N 3.35Å; K338-C341 VanDerWaalsContact O-N 3.17Å; K338-L349 HydrophobicContact CG-CD2 4.14Å
339A93.8Very high91.6Very high62 Ų6257.2 Ų57.251%0.51233%0.33SS..Hα-helixtrans-61.1-31.4-178.300000112.6S335 S336 L337 C341 T342S335-A339 WeakPolarHBondContact O-CB 3.46Å; S335-A339 PolarHBondContact O-N 2.88Å; S336-A339 PolarHBondContact O-N 3.04Å; L337-A339 VanDerWaalsContact C-N 3.34Å; A339-C341 PolarHBondContact O-N 2.53Å; A339-T342 PolarHBondContact O-N 3.49Å; A339-T342 PolarHBondContact O-OG1 2.76Å
340I90.4Very high91.8Very high53 Ų5360.2 Ų60.227%0.27234%0.341SS..Hα-helixtrans-62.9-26.6179.5-144.4171.1000112.9R306 V310 S336 L337 K338 I344R306-I340 HydrophobicContact CB-CD1 4.1Å; R306-I340 HydrophobicContact CG-CD1 3.93Å; V310-I340 HydrophobicContact CG2-CD1 3.76Å; V310-I340 HydrophobicContact CG2-CG1 3.91Å; V310-I340 HydrophobicContact CG2-CG2 4.04Å; S336-I340 PolarHBondContact O-N 3.18Å; L337-I340 WeakPolarHBondContact O-CG2 3.12Å; L337-I340 PolarHBondContact O-N 2.95Å; K338-I340 PolarHBondContact O-N 3.2Å; I340-I344 WeakPolarHBondContact O-CD1 3.4Å; I340-I344 WeakPolarHBondContact O-CG1 3.41Å
341C89.6Confident91.9Very high21 Ų2160.3 Ų60.314%0.14234%0.342CS..THydrogen-bonded Turntrans-88.9-7.5-178.3-76.80000114.1K338 A339 E343 I344 C347K338-C341 PolarHBondContact O-N 3.35Å; K338-C341 VanDerWaalsContact O-N 3.17Å; A339-C341 PolarHBondContact O-N 2.53Å; C341-E343 VanDerWaalsContact C-N 3.33Å; C341-E343 PolarHBondContact O-N 2.55Å; C341-I344 PolarHBondContact O-N 3.02Å; C341-C347 WeakPolarHBondContact CA-SG 3.4Å; C341-C347 HydrophobicContact CB-CB 3.49Å; C341-C347 VanDerWaalsContact CB-CB 3.49Å; C341-C347 WeakPolarHBondContact CB-SG 3.13Å; C341-C347 WeakPolarHBondContact SG-CB 3.38Å; C341-C347 CovalentContact SG-SG 2.04Å; C341-C347 PolarHBondContact SG-SG 3.14Å
342T86.4Confident92Very high99 Ų9960.5 Ų60.561%0.60734%0.342SS*.THydrogen-bonded Turntrans-59.9-41.6-168.9-47.40000112.9A339A339-T342 PolarHBondContact O-N 3.49Å; A339-T342 PolarHBondContact O-OG1 2.76Å
343E84.4Confident92.1Very high175 Ų17555.9 Ų55.982%0.81832%0.317SS*.THydrogen-bonded Turntrans-107.45.4-174.9-61.2-60.4151.300112.9C341C341-E343 VanDerWaalsContact C-N 3.33Å; C341-E343 PolarHBondContact O-N 2.55Å
344I86.4Confident92Very high59 Ų5954.3 Ų54.330%0.30331%0.31SS..  trans-106.7109-173.7-55.7-175.5000109.2V310 I340 C341 N346 C347V310-I344 HydrophobicContact CB-CD1 4.35Å; V310-I344 HydrophobicContact CG1-CD1 3.77Å; V310-I344 HydrophobicContact CG2-CD1 3.89Å; I340-I344 WeakPolarHBondContact O-CD1 3.4Å; I340-I344 WeakPolarHBondContact O-CG1 3.41Å; C341-I344 PolarHBondContact O-N 3.02Å; I344-N346 PolarHBondContact O-N 3.32Å; I344-C347 HydrophobicContact CB-CB 3.85Å; I344-C347 HydrophobicContact CG2-CB 3.96Å; I344-C347 VanDerWaalsContact O-CB 3.28Å; I344-C347 WeakPolarHBondContact O-CB 3.35Å; I344-C347 PolarHBondContact O-N 2.74Å; I344-C347 VanDerWaalsContact O-N 3.13Å
345A81.4Confident91.7Very high82 Ų8255 Ų5568%0.67831%0.314SS*.THydrogen-bonded Turntrans-54.3136.6172.600000110.3C347A345-C347 PolarHBondContact O-N 3.05Å
346N84.9Confident91.2Very high137 Ų13752.7 Ų52.773%0.73330%0.297SS*.THydrogen-bonded Turntrans66.48.4-177.8-51.4-41.2000116.4I344 S348I344-N346 PolarHBondContact O-N 3.32Å; N346-S348 PolarHBondContact O-N 2.89Å
347C92Very high90.3Very high22 Ų2252.8 Ų52.815%0.14929%0.291CS..  trans-74.9119.2170.1-161.50000110.4C341 I344 A345C341-C347 WeakPolarHBondContact CA-SG 3.4Å; C341-C347 HydrophobicContact CB-CB 3.49Å; C341-C347 VanDerWaalsContact CB-CB 3.49Å; C341-C347 WeakPolarHBondContact CB-SG 3.13Å; C341-C347 WeakPolarHBondContact SG-CB 3.38Å; C341-C347 CovalentContact SG-SG 2.04Å; C341-C347 PolarHBondContact SG-SG 3.14Å; I344-C347 HydrophobicContact CB-CB 3.85Å; I344-C347 HydrophobicContact CG2-CB 3.96Å; I344-C347 VanDerWaalsContact O-CB 3.28Å; I344-C347 WeakPolarHBondContact O-CB 3.35Å; I344-C347 PolarHBondContact O-N 2.74Å; I344-C347 VanDerWaalsContact O-N 3.13Å; A345-C347 PolarHBondContact O-N 3.05Å
348S94Very high89.1Confident33 Ų3356.2 Ų56.223%0.23130%0.304CS..  trans-126.480.5-173.4175.20000112.2R315 V316 N346R315-S348 WeakPolarHBondContact CG-OG 3.43Å; V316-S348 PolarHBondContact N-O 3.19Å; N346-S348 PolarHBondContact O-N 2.89Å
349L96.3Very high87.4Confident24 Ų2457.5 Ų57.513%0.12631%0.311CS..EExtended strand (participates in β ladder)trans-100.1127.7169177.561.8000111.4L309 V316 L318 L337 K338 V351L309-L349 HydrophobicContact CD1-CB 3.99Å; L309-L349 HydrophobicContact CD1-CD1 4.2Å; L309-L349 HydrophobicContact CD1-CD2 4.09Å; L309-L349 HydrophobicContact CD1-CG 4.32Å; L309-L349 HydrophobicContact CD2-CB 3.81Å; V316-L349 HydrophobicContact CB-CD1 4.05Å; V316-L349 HydrophobicContact CG1-CD1 4.17Å; V316-L349 WeakPolarHBondContact O-CA 3.48Å; L318-L349 HydrophobicContact CD1-CD1 3.37Å; L337-L349 VanDerWaalsContact C-CD2 3.41Å; L337-L349 HydrophobicContact CB-CD2 3.56Å; L337-L349 WeakPolarHBondContact O-CD2 3.23Å; K338-L349 HydrophobicContact CG-CD2 4.14Å; L349-V351 HydrophobicContact CD1-CG2 3.95Å; L349-V351 HydrophobicContact CD2-CG2 4.44Å; L349-V351 HydrophobicContact CG-CG2 4.12Å
350K96.7Very high85.7Confident121 Ų12157 Ų5753%0.52630%0.3SS..EExtended strand (participates in β ladder)trans-126.9138.4166.3-61.2-172.5179.5-174.30110.2V316 R317 L318 W432V316-K350 PolarHBondContact O-N 3.12Å; R317-K350 CarbonylContact C-O 3.49Å; R317-K350 VanDerWaalsContact CA-O 3.28Å; R317-K350 WeakPolarHBondContact CA-O 3.43Å; R317-K350 HydrophobicContact CG-CB 4.45Å; L318-K350 PolarHBondContact N-O 3.2Å; K350-W432 HydrophobicContact CB-CH2 3.83Å; K350-W432 HydrophobicContact CB-CZ2 3.7Å
351V96.9Very high84.1Confident6 Ų656.4 Ų56.44%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-129.7130.3178.2-174.30000109.3L318 I320 I334 L349L318-V351 HydrophobicContact CB-CG1 4.14Å; L318-V351 HydrophobicContact CB-CG2 4.16Å; L318-V351 HydrophobicContact CD1-CG2 4Å; L318-V351 WeakPolarHBondContact O-CA 3.48Å; I320-V351 HydrophobicContact CD1-CG1 3.92Å; I334-V351 HydrophobicContact CD1-CG1 4.11Å; I334-V351 HydrophobicContact CD1-CG2 4.36Å; I334-V351 HydrophobicContact CG1-CG1 4.28Å; I334-V351 HydrophobicContact CG2-CB 3.96Å; I334-V351 HydrophobicContact CG2-CG1 3.84Å; I334-V351 HydrophobicContact CG2-CG2 3.96Å; L349-V351 HydrophobicContact CD1-CG2 3.95Å; L349-V351 HydrophobicContact CD2-CG2 4.44Å; L349-V351 HydrophobicContact CG-CG2 4.12Å
352K97.1Very high82.4Confident41 Ų4156.9 Ų56.918%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-126.7149.7171.9-73-172.3174.9-166.10109.5L318 L319 I320 W432 A437 K438L318-K352 PolarHBondContact O-N 3.32Å; L319-K352 WeakPolarHBondContact CA-O 3.42Å; L319-K352 HydrophobicContact CD1-CB 3.92Å; I320-K352 PolarHBondContact N-O 3.18Å; K352-W432 HydrophobicContact CB-CE3 4.29Å; K352-W432 HydrophobicContact CB-CH2 4.04Å; K352-W432 HydrophobicContact CB-CZ3 3.87Å; K352-W432 HydrophobicContact CD-CD2 3.96Å; K352-W432 HydrophobicContact CD-CE3 4.2Å; K352-W432 HydrophobicContact CD-CH2 4.16Å; K352-W432 HydrophobicContact CD-CZ2 3.92Å; K352-W432 HydrophobicContact CD-CZ3 4.3Å; K352-W432 HydrophobicContact CG-CE3 4.42Å; K352-W432 HydrophobicContact CG-CH2 3.73Å; K352-W432 HydrophobicContact CG-CZ2 3.87Å; K352-W432 HydrophobicContact CG-CZ3 4.02Å; K352-W432 PolarHBondContact NZ-O 3.36Å; K352-A437 HydrophobicContact CB-CB 4.34Å; K352-A437 HydrophobicContact CD-CB 3.8Å; K352-A437 PolarHBondContact NZ-O 3.33Å; K352-K438 CarbonylContact C-O 3.51Å; K352-K438 WeakPolarHBondContact CA-O 3.41Å
353F95.7Very high81.1Confident6 Ų653.4 Ų53.43%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-103.5134.1172-71.3-87.5000109.6I320 F322 T330 F331 A437 K438 L440I320-F353 HydrophobicContact CB-CD1 4.09Å; I320-F353 HydrophobicContact CB-CE1 4.14Å; I320-F353 HydrophobicContact CD1-CE1 4.47Å; I320-F353 HydrophobicContact CG2-CD1 4.3Å; I320-F353 HydrophobicContact CG2-CE1 4.13Å; I320-F353 CarbonylContact O-C 3.6Å; I320-F353 WeakPolarHBondContact O-CA 3.33Å; F322-F353 HydrophobicContact CB-CB 3.94Å; F322-F353 HydrophobicContact CB-CD1 4.12Å; F322-F353 HydrophobicContact CB-CG 4.41Å; T330-F353 HydrophobicContact CG2-CE1 4.15Å; T330-F353 HydrophobicContact CG2-CZ 4.39Å; F331-F353 HydrophobicContact CD1-CE2 4.01Å; F331-F353 AromaticContact CD1-CZ 3.72Å; F331-F353 HydrophobicContact CD1-CZ 3.72Å; F331-F353 HydrophobicContact CE1-CD2 4.36Å; F331-F353 AromaticContact CE1-CE1 3.93Å; F331-F353 HydrophobicContact CE1-CE1 3.93Å; F331-F353 AromaticContact CE1-CE2 3.73Å; F331-F353 HydrophobicContact CE1-CE2 3.73Å; F331-F353 AromaticContact CE1-CZ 3.48Å; F331-F353 HydrophobicContact CE1-CZ 3.48Å; F331-F353 VanDerWaalsContact CE1-CZ 3.48Å; F331-F353 HydrophobicContact CZ-CE1 4.36Å; F331-F353 HydrophobicContact CZ-CZ 4.32Å; F353-A437 CarbonylContact O-C 3.42Å; F353-A437 WeakPolarHBondContact O-CA 3.49Å; F353-K438 PolarHBondContact N-O 2.91Å; F353-K438 PolarHBondContact O-N 3.21Å; F353-L440 HydrophobicContact CB-CD1 3.43Å; F353-L440 VanDerWaalsContact CB-CD1 3.43Å; F353-L440 HydrophobicContact CB-CG 3.8Å; F353-L440 HydrophobicContact CD1-CD1 4.27Å; F353-L440 HydrophobicContact CD2-CB 3.89Å; F353-L440 HydrophobicContact CD2-CD1 3.86Å; F353-L440 HydrophobicContact CD2-CG 3.96Å; F353-L440 HydrophobicContact CE2-CB 4.46Å; F353-L440 HydrophobicContact CG-CB 4.48Å; F353-L440 HydrophobicContact CG-CD1 3.59Å; F353-L440 HydrophobicContact CG-CG 4.09Å
354F93.6Very high79.6Confident2 Ų249.3 Ų49.31%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-96.3109.1178.1-159.2-99.1000108.6L58 K185 L319 I320 F322 L356 N376 D431 Y436 A437L58-F354 HydrophobicContact CD2-CZ 4.48Å; K185-F354 HydrophobicContact CD-CE1 4.12Å; K185-F354 HydrophobicContact CD-CZ 4.25Å; L319-F354 HydrophobicContact CD1-CB 4.1Å; L319-F354 HydrophobicContact CD1-CD2 4.18Å; L319-F354 HydrophobicContact CD2-CD2 4.15Å; L319-F354 HydrophobicContact CG-CB 4.27Å; L319-F354 HydrophobicContact CG-CD2 4.46Å; I320-F354 PolarHBondContact O-N 2.63Å; F322-F354 PolarHBondContact N-O 3.42Å; F354-L356 HydrophobicContact CD1-CD1 4.37Å; F354-L356 HydrophobicContact CD1-CD2 3.89Å; F354-L356 HydrophobicContact CD1-CG 3.87Å; F354-L356 HydrophobicContact CE1-CD1 3.99Å; F354-L356 HydrophobicContact CE1-CD2 3.32Å; F354-L356 HydrophobicContact CE1-CG 3.68Å; F354-L356 HydrophobicContact CZ-CD2 4.01Å; F354-N376 HydrophobicContact CD1-CB 3.53Å; F354-N376 HydrophobicContact CE1-CB 3.96Å; F354-N376 HydrophobicContact CG-CB 4.37Å; F354-D431 HydrophobicContact CE2-CB 4.09Å; F354-Y436 WeakPolarHBondContact CA-O 3.08Å; F354-Y436 HydrophobicContact CZ-CD2 4.35Å; F354-Y436 HydrophobicContact CZ-CG 4.34Å; F354-A437 HydrophobicContact CD2-CB 4.14Å
355D89.8Confident78Confident17 Ų1755.1 Ų55.19%0.09130%0.297CS..  trans-118104.1-171.8-179-7.3000109.2F322 E357 R358 Y436F322-D355 HydrophobicContact CB-CB 4.34Å; F322-D355 HydrophobicContact CD1-CB 4.21Å; D355-E357 PolarHBondContact OD1-N 3.35Å; D355-E357 VanDerWaalsContact OD1-N 3.14Å; D355-R358 PolarHBondContact OD1-N 3.23Å; D355-R358 WeakPolarHBondContact OD2-CB 3.48Å; D355-Y436 PolarHBondContact N-O 2.72Å
356L83.9Confident76.4Confident18 Ų1859 Ų599%0.09430%0.302CS..SBendtrans-91.7-13.3179.8-65.8-173.2000113.2P55 L58 F354 R374 Y436P55-L356 HydrophobicContact CG-CD1 4.29Å; L58-L356 HydrophobicContact CD1-CD2 3.19Å; F354-L356 HydrophobicContact CD1-CD1 4.37Å; F354-L356 HydrophobicContact CD1-CD2 3.89Å; F354-L356 HydrophobicContact CD1-CG 3.87Å; F354-L356 HydrophobicContact CE1-CD1 3.99Å; F354-L356 HydrophobicContact CE1-CD2 3.32Å; F354-L356 HydrophobicContact CE1-CG 3.68Å; F354-L356 HydrophobicContact CZ-CD2 4.01Å; L356-R374 HydrophobicContact CB-CB 4.09Å; L356-R374 WeakPolarHBondContact CB-O 3.07Å; L356-R374 HydrophobicContact CD1-CB 4.4Å; L356-Y436 HydrophobicContact CD2-CD1 4.11Å; L356-Y436 HydrophobicContact CD2-CG 4.11Å
357E75.6Confident74.7Confident54 Ų5458.1 Ų58.125%0.25229%0.293SS..SBendtrans-98.2-12.6-174.2-60-163.8152.800112.7D355 E359 N360 A361 P373 R374D355-E357 PolarHBondContact OD1-N 3.35Å; D355-E357 VanDerWaalsContact OD1-N 3.14Å; E357-E359 VanDerWaalsContact C-N 3.26Å; E357-E359 PolarHBondContact O-N 3.1Å; E357-N360 CarbonylContact O-C 3.6Å; E357-N360 WeakPolarHBondContact O-CA 3.31Å; E357-N360 WeakPolarHBondContact O-CB 3.29Å; E357-N360 PolarHBondContact O-N 3.47Å; E357-A361 PolarHBondContact O-N 3.37Å; E357-P373 WeakPolarHBondContact OE1-CA 2.94Å; E357-P373 WeakPolarHBondContact OE1-CB 3.47Å; E357-R374 PolarHBondContact OE1-N 2.94Å
358R68.9Low72.8Confident72 Ų7261.9 Ų61.927%0.27231%0.307SS..THydrogen-bonded Turntrans-53.8-39.3-179.5-163.7169174.6148.82.4114.6D355 N360 A361 P446D355-R358 PolarHBondContact OD1-N 3.23Å; D355-R358 WeakPolarHBondContact OD2-CB 3.48Å; R358-N360 VanDerWaalsContact C-N 3.27Å; R358-A361 VanDerWaalsContact O-CB 3.28Å; R358-A361 WeakPolarHBondContact O-CB 3.45Å; R358-A361 PolarHBondContact O-N 3.23Å; R358-P446 HydrophobicContact CG-CB 3.87Å; R358-P446 HydrophobicContact CG-CG 4.47Å
359E57.7Low70.4Confident103 Ų10367 Ų6748%0.48133%0.332SS..THydrogen-bonded Turntrans-69.9-30.8177.9-62.3-172.6171.600111E357 L451E357-E359 VanDerWaalsContact C-N 3.26Å; E357-E359 PolarHBondContact O-N 3.1Å; E359-L451 HydrophobicContact CG-CD2 4.05Å
360N57Low68.1Low52 Ų5273.3 Ų73.328%0.27836%0.36SS..G310 helixtrans-80.7-16.6174.1-62.5-23.2000113.1E357 R358 C362 A363E357-N360 CarbonylContact O-C 3.6Å; E357-N360 WeakPolarHBondContact O-CA 3.31Å; E357-N360 WeakPolarHBondContact O-CB 3.29Å; E357-N360 PolarHBondContact O-N 3.47Å; R358-N360 VanDerWaalsContact C-N 3.27Å; N360-C362 PolarHBondContact O-N 2.86Å; N360-C362 VanDerWaalsContact O-N 3.12Å; N360-A363 WeakPolarHBondContact O-CB 3.34Å; N360-A363 PolarHBondContact O-N 2.78Å
361A57.1Low66.4Low40 Ų4070.9 Ų70.933%0.33136%0.356SS..G310 helixtrans-57.6-29.9177.600000112.1E357 R358 K368 P446E357-A361 PolarHBondContact O-N 3.37Å; R358-A361 VanDerWaalsContact O-CB 3.28Å; R358-A361 WeakPolarHBondContact O-CB 3.45Å; R358-A361 PolarHBondContact O-N 3.23Å; A361-K368 WeakPolarHBondContact O-CE 3.48Å; A361-K368 PolarHBondContact O-NZ 2.97Å; A361-P446 HydrophobicContact CB-CG 3.97Å
362C54.3Low65Low32 Ų3274.3 Ų74.322%0.21637%0.37CS..G310 helixtrans-95.46177.9-50.70000113.9N360 C448N360-C362 PolarHBondContact O-N 2.86Å; N360-C362 VanDerWaalsContact O-N 3.12Å; C362-C448 HydrophobicContact CB-CB 3.94Å; C362-C448 WeakPolarHBondContact CB-SG 3.48Å; C362-C448 WeakPolarHBondContact SG-CA 3.47Å; C362-C448 WeakPolarHBondContact SG-CB 3.46Å; C362-C448 CovalentContact SG-SG 2.05Å; C362-C448 PolarHBondContact SG-SG 3.29Å
363A58.2Low63.8Low25 Ų2574.8 Ų74.821%0.20738%0.377CS..SBendtrans-69.8151.7174.100000111.7N360 Q367 K368N360-A363 WeakPolarHBondContact O-CB 3.34Å; N360-A363 PolarHBondContact O-N 2.78Å; A363-Q367 HydrophobicContact CB-CB 4.19Å; A363-K368 VanDerWaalsContact O-CE 3.28Å; A363-K368 WeakPolarHBondContact O-CE 3.25Å
364T53.9Low63.2Low89 Ų8977.1 Ų77.155%0.54639%0.386SS..  trans-64.6153.4179.746.10000111.3E366 Q367 K368T364-E366 PolarHBondContact O-N 2.92Å; T364-E366 VanDerWaalsContact O-N 3.15Å; T364-Q367 PolarHBondContact O-N 3.01Å; T364-Q367 PolarHBondContact OG1-OE1 2.96Å; T364-K368 PolarHBondContact O-N 3.28Å
365K53.3Low63Low181 Ų18177.6 Ų77.679%0.78739%0.389SS*.Hα-helixtrans-56.5-31-176.8-74.7-176.8176.11800113.5K368 N369K365-K368 PolarHBondContact O-N 2.91Å; K365-N369 PolarHBondContact O-N 2.95Å
366E46.8Very low63.2Low164 Ų16476.8 Ų76.877%0.76638%0.384SS*.Hα-helixtrans-68.6-35.2175.6-72.4178.4162.400113T364 K368T364-E366 PolarHBondContact O-N 2.92Å; T364-E366 VanDerWaalsContact O-N 3.15Å; E366-K368 VanDerWaalsContact C-N 3.34Å
367Q49.5Very low63.7Low119 Ų11977.6 Ų77.656%0.55639%0.386SS*.Hα-helixtrans-70.6-31.6173.8-77.5170.4-26.600111.9A363 T364 T371A363-Q367 HydrophobicContact CB-CB 4.19Å; T364-Q367 PolarHBondContact O-N 3.01Å; T364-Q367 PolarHBondContact OG1-OE1 2.96Å; Q367-T371 PolarHBondContact O-N 3.35Å; Q367-T371 PolarHBondContact O-OG1 2.84Å
368K51.4Low64.7Low100 Ų10075 Ų7544%0.43537%0.374SS..Hα-helixtrans-69.7-29.5-179.1-73-177.5175.8176.50114.5A361 A363 T364 K365 E366 H370 T371A361-K368 WeakPolarHBondContact O-CE 3.48Å; A361-K368 PolarHBondContact O-NZ 2.97Å; A363-K368 VanDerWaalsContact O-CE 3.28Å; A363-K368 WeakPolarHBondContact O-CE 3.25Å; T364-K368 PolarHBondContact O-N 3.28Å; K365-K368 PolarHBondContact O-N 2.91Å; E366-K368 VanDerWaalsContact C-N 3.34Å; K368-H370 VanDerWaalsContact C-N 3.25Å; K368-H370 PolarHBondContact O-N 2.95Å; K368-T371 WeakPolarHBondContact CA-OG1 3.39Å
369N44.1Very low66Low140 Ų14072.2 Ų72.275%0.74936%0.364SS*.THydrogen-bonded Turntrans-75.9-11.6-177.3-80.8-5.5000113.9K365K365-N369 PolarHBondContact O-N 2.95Å
370H48.4Very low67.9Low157 Ų15767.3 Ų67.373%0.72734%0.341SS*.SBendtrans-122.73.1-179.1-64.8-68.4000113.9K368K368-H370 VanDerWaalsContact C-N 3.25Å; K368-H370 PolarHBondContact O-N 2.95Å
371T61Low69.9Low70 Ų7064.8 Ų64.843%0.42933%0.328SS..  trans-92.8115.2-18012.50000110.9Q367 K368Q367-T371 PolarHBondContact O-N 3.35Å; Q367-T371 PolarHBondContact O-OG1 2.84Å; K368-T371 WeakPolarHBondContact CA-OG1 3.39Å
372F68Low71.9Confident78 Ų7862.9 Ų62.934%0.34231%0.312SS..PPolyproline II helixtrans-66.8148.7165.5-69.6-86.3000110.3H98 W178H98-F372 AromaticContact CD2-CD2 3.94Å; H98-F372 AromaticContact CD2-CE2 3.85Å; W178-F372 HydrophobicContact CH2-CB 4.34Å; W178-F372 AromaticContact CH2-CD2 3.53Å; W178-F372 HydrophobicContact CH2-CD2 3.53Å; W178-F372 AromaticContact CH2-CE2 3.88Å; W178-F372 HydrophobicContact CH2-CE2 3.88Å; W178-F372 AromaticContact CH2-CG 3.88Å; W178-F372 HydrophobicContact CH2-CG 3.88Å; W178-F372 HydrophobicContact CZ2-CD1 4.3Å; W178-F372 AromaticContact CZ2-CD2 3.84Å; W178-F372 HydrophobicContact CZ2-CD2 3.84Å; W178-F372 HydrophobicContact CZ2-CE1 4.27Å; W178-F372 AromaticContact CZ2-CE2 3.79Å; W178-F372 HydrophobicContact CZ2-CE2 3.79Å; W178-F372 HydrophobicContact CZ2-CG 4.09Å; W178-F372 HydrophobicContact CZ2-CZ 4.01Å
373P70.4Confident74Confident51 Ų5161.4 Ų61.433%0.33130%0.302SS..PPolyproline II helixtrans-64.4140.7-178.626.3-33.4000110.8M184 E357 L375M184-P373 HydrophobicContact CE-CG 4.49Å; M184-P373 WeakPolarHBondContact CE-O 3.2Å; E357-P373 WeakPolarHBondContact OE1-CA 2.94Å; E357-P373 WeakPolarHBondContact OE1-CB 3.47Å; P373-L375 HydrophobicContact CB-CD1 4.32Å; P373-L375 HydrophobicContact CB-CD2 4.36Å; P373-L375 HydrophobicContact CB-CG 4.16Å; P373-L375 HydrophobicContact CG-CD1 4.47Å
374R85.1Confident75.8Confident56 Ų5661.9 Ų61.921%0.21130%0.301CS..PPolyproline II helixtrans-103.2116.7173.6-69.7-177.8-179.4173.6-1.7107.7E56 L356 E357E56-R374 PolarHBondContact O-NH1 2.81Å; L356-R374 HydrophobicContact CB-CB 4.09Å; L356-R374 WeakPolarHBondContact CB-O 3.07Å; L356-R374 HydrophobicContact CD1-CB 4.4Å; E357-R374 PolarHBondContact OE1-N 2.94Å
375L88.2Confident77.8Confident11 Ų1159 Ų596%0.05829%0.288CS..  trans-129.3150.6-170.5-56.3174.6000111M184 K185 W323 P373 R377M184-L375 CarbonylContact C-O 3.57Å; M184-L375 WeakPolarHBondContact CA-O 3.38Å; M184-L375 HydrophobicContact CE-CD1 4.34Å; M184-L375 HydrophobicContact CE-CG 4.43Å; M184-L375 HydrophobicContact SD-CB 3.65Å; M184-L375 HydrophobicContact SD-CD1 4.39Å; M184-L375 HydrophobicContact SD-CG 4.04Å; M184-L375 PolarHBondContact SD-N 2.86Å; M184-L375 VanDerWaalsContact SD-N 3.38Å; K185-L375 PolarHBondContact N-O 3.44Å; W323-L375 HydrophobicContact CB-CD2 3.23Å; W323-L375 HydrophobicContact CD2-CD1 4.2Å; W323-L375 HydrophobicContact CD2-CD2 4.05Å; W323-L375 HydrophobicContact CE3-CD1 3.76Å; W323-L375 HydrophobicContact CE3-CD2 4.08Å; W323-L375 HydrophobicContact CG-CD2 3.73Å; W323-L375 HydrophobicContact CZ3-CD1 4.14Å; P373-L375 HydrophobicContact CB-CD1 4.32Å; P373-L375 HydrophobicContact CB-CD2 4.36Å; P373-L375 HydrophobicContact CB-CG 4.16Å; P373-L375 HydrophobicContact CG-CD1 4.47Å; L375-R377 HydrophobicContact CB-CG 4.2Å
376N94Very high79.9Confident1 Ų150.4 Ų50.41%0.00525%0.251CS..BIsolated β-bridgetrans-90.5112.1162.7172.124.3000108.8K185 S321 F354 N378K185-N376 HydrophobicContact CB-CB 4.19Å; S321-N376 WeakPolarHBondContact CB-O 2.98Å; S321-N376 VanDerWaalsContact OG-CB 3.25Å; S321-N376 WeakPolarHBondContact OG-CB 3.03Å; S321-N376 PolarHBondContact OG-O 3.09Å; F354-N376 HydrophobicContact CD1-CB 3.53Å; F354-N376 HydrophobicContact CE1-CB 3.96Å; F354-N376 HydrophobicContact CG-CB 4.37Å; N376-N378 WeakPolarHBondContact OD1-CB 3.49Å; N376-N378 PolarHBondContact OD1-N 3.3Å; N376-N378 PolarHBondContact OD1-ND2 3.36Å; N376-N378 VanDerWaalsContact OD1-ND2 3.12Å
377R95.2Very high82.4Confident34 Ų3442.7 Ų42.713%0.12822%0.215CC..  trans-106.38.1-176.5-73.4-177.669.6-153.520.8112.8S173 E177 S180 K185 E186 M283 L375 K379S173-R377 WeakPolarHBondContact CB-O 3.39Å; E177-R377 IonicContact OE1-CZ 3.84Å; E177-R377 IonicContact OE1-NH1 2.69Å; E177-R377 PolarHBondContact OE1-NH1 3.47Å; E177-R377 IonicContact OE1-NH2 3.59Å; E177-R377 PolarHBondContact OE1-NH2 3.23Å; S180-R377 PolarHBondContact OG-NH1 3.17Å; K185-R377 PolarHBondContact O-N 3.15Å; E186-R377 WeakPolarHBondContact OE1-CB 3.05Å; E186-R377 VanDerWaalsContact OE1-CD 3.29Å; E186-R377 WeakPolarHBondContact OE1-CD 3.38Å; E186-R377 IonicContact OE1-CZ 3.71Å; E186-R377 IonicContact OE1-NE 3.49Å; E186-R377 IonicContact OE1-NH1 3.32Å; E186-R377 PolarHBondContact OE1-NH1 2.96Å; E186-R377 WeakPolarHBondContact OE2-CB 3.45Å; M283-R377 HydrophobicContact SD-CG 3.75Å; L375-R377 HydrophobicContact CB-CG 4.2Å; R377-K379 VanDerWaalsContact O-CD 3.31Å; R377-K379 WeakPolarHBondContact O-CD 3.49Å; R377-K379 WeakPolarHBondContact O-CG 3.09Å; R377-K379 PolarHBondContact O-NZ 3.12Å
378N95.8Very high84.7Confident0 Ų037 Ų370%019%0.189CC..  trans-49.7138.6174.3-72.8-11.2000111.4K185 E186 L187 A281 V282 M283 N376 Y380K185-N378 PolarHBondContact O-OD1 3.21Å; E186-N378 WeakPolarHBondContact CA-OD1 3.37Å; L187-N378 VanDerWaalsContact CB-OD1 3.26Å; L187-N378 WeakPolarHBondContact CB-OD1 3.23Å; L187-N378 PolarHBondContact N-OD1 2.97Å; L187-N378 VanDerWaalsContact N-OD1 3.14Å; A281-N378 CarbonylContact C-O 3.35Å; A281-N378 HydrophobicContact CB-CB 4.45Å; A281-N378 CarbonylContact O-C 3.59Å; A281-N378 VanDerWaalsContact O-O 3.09Å; V282-N378 CarbonylContact C-O 3.07Å; V282-N378 WeakPolarHBondContact CA-O 3.41Å; M283-N378 PolarHBondContact N-O 2.84Å; N376-N378 WeakPolarHBondContact OD1-CB 3.49Å; N376-N378 PolarHBondContact OD1-N 3.3Å; N376-N378 PolarHBondContact OD1-ND2 3.36Å; N376-N378 VanDerWaalsContact OD1-ND2 3.12Å; N378-Y380 HydrophobicContact CB-CD1 3.91Å; N378-Y380 HydrophobicContact CB-CE1 3.93Å
379K96.6Very high87Confident13 Ų1332.5 Ų32.56%0.05717%0.169CC..  trans-136.475.6178.8-68.5138.516558.50108.8A281 R377 G390 N391 F392 D393A281-K379 WeakPolarHBondContact O-CA 3.42Å; R377-K379 VanDerWaalsContact O-CD 3.31Å; R377-K379 WeakPolarHBondContact O-CD 3.49Å; R377-K379 WeakPolarHBondContact O-CG 3.09Å; R377-K379 PolarHBondContact O-NZ 3.12Å; K379-G390 WeakPolarHBondContact CB-O 3.42Å; K379-G390 PolarHBondContact O-N 3.42Å; K379-N391 VanDerWaalsContact CD-C 3.44Å; K379-N391 VanDerWaalsContact CD-O 3.29Å; K379-N391 WeakPolarHBondContact CD-O 3.43Å; K379-N391 WeakPolarHBondContact CE-O 3.39Å; K379-F392 WeakPolarHBondContact CG-O 3.15Å; K379-D393 WeakPolarHBondContact CE-OD2 3.32Å; K379-D393 IonicContact NZ-OD1 2.94Å; K379-D393 PolarHBondContact NZ-OD1 3.08Å; K379-D393 IonicContact NZ-OD2 3.25Å; K379-D393 PolarHBondContact NZ-OD2 2.93Å
380Y98.4Very high89.5Confident0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-143.8159.9-178.576.7-95.1000112.6L187 A281 N378 V382 Y388 L424 F428L187-Y380 HydrophobicContact CD1-CD1 4.3Å; L187-Y380 HydrophobicContact CD1-CE1 4.07Å; L187-Y380 HydrophobicContact CD2-CD1 3.87Å; L187-Y380 HydrophobicContact CD2-CE1 4.46Å; L187-Y380 HydrophobicContact CD2-CG 4.22Å; L187-Y380 HydrophobicContact CG-CD1 4.48Å; A281-Y380 HydrophobicContact CB-CD1 3.99Å; A281-Y380 HydrophobicContact CB-CE1 3.51Å; A281-Y380 HydrophobicContact CB-CE2 4.17Å; A281-Y380 PolarHBondContact N-O 2.99Å; A281-Y380 PolarHBondContact O-N 2.77Å; N378-Y380 HydrophobicContact CB-CD1 3.91Å; N378-Y380 HydrophobicContact CB-CE1 3.93Å; Y380-V382 HydrophobicContact CE2-CG1 4.38Å; Y380-Y388 CarbonylContact C-O 3.55Å; Y380-Y388 WeakPolarHBondContact CA-O 3.28Å; Y380-Y388 VanDerWaalsContact CB-O 3.29Å; Y380-Y388 WeakPolarHBondContact CB-O 3.37Å; Y380-L424 HydrophobicContact CD1-CD1 4.31Å; Y380-L424 HydrophobicContact CD2-CD1 3.63Å; Y380-L424 HydrophobicContact CD2-CD2 3.74Å; Y380-L424 HydrophobicContact CD2-CG 3.68Å; Y380-L424 HydrophobicContact CE1-CD1 4.33Å; Y380-L424 HydrophobicContact CE2-CD1 3.68Å; Y380-L424 HydrophobicContact CE2-CD2 4.33Å; Y380-L424 HydrophobicContact CE2-CG 3.77Å; Y380-L424 HydrophobicContact CG-CD1 3.97Å; Y380-L424 HydrophobicContact CG-CD2 4.35Å; Y380-L424 HydrophobicContact CG-CG 4.44Å; Y380-F428 HydrophobicContact CE2-CB 4.19Å; Y380-F428 HydrophobicContact CE2-CD2 4.15Å; Y380-F428 WeakPolarHBondContact OH-CA 3.17Å; Y380-F428 WeakPolarHBondContact OH-CB 3.17Å; Y380-F428 PolarHBondContact OH-N 3.43Å
381M98.6Very high91.7Very high0 Ų018.6 Ų18.60%010%0.1CC..EExtended strand (participates in β ladder)trans-136.4142.4172.4173.5-179.655.800109.3I267 V270 I271 V278 Y279 I280 A387 Y388 W394I267-M381 HydrophobicContact CG2-CE 3.8Å; V270-M381 HydrophobicContact CB-CE 3.58Å; V270-M381 HydrophobicContact CG1-CE 3.37Å; V270-M381 HydrophobicContact CG1-SD 4.36Å; I271-M381 HydrophobicContact CD1-SD 4.12Å; I271-M381 HydrophobicContact CG1-CE 3.91Å; I271-M381 HydrophobicContact CG1-SD 3.54Å; I271-M381 VanDerWaalsContact CG1-SD 3.54Å; V278-M381 HydrophobicContact CG1-CG 3.89Å; V278-M381 HydrophobicContact CG1-SD 3.49Å; V278-M381 WeakPolarHBondContact CG1-SD 3.12Å; Y279-M381 CarbonylContact O-C 3.55Å; Y279-M381 VanDerWaalsContact O-CA 3.22Å; Y279-M381 WeakPolarHBondContact O-CA 3.28Å; I280-M381 HydrophobicContact CG1-CB 4.25Å; I280-M381 HydrophobicContact CG1-CG 3.86Å; I280-M381 HydrophobicContact CG1-SD 4.03Å; M381-A387 CarbonylContact O-C 3.49Å; M381-A387 WeakPolarHBondContact O-CA 3.06Å; M381-Y388 PolarHBondContact N-O 3.27Å; M381-Y388 PolarHBondContact O-N 2.99Å; M381-W394 HydrophobicContact CB-CZ2 4.32Å; M381-W394 HydrophobicContact SD-CH2 3.84Å; M381-W394 HydrophobicContact SD-CZ2 4.14Å
382V98.6Very high93.5Very high0 Ų015.2 Ų15.20%08%0.08CC..EExtended strand (participates in β ladder)trans-134.6136.4177.964.90000110.7Y279 Y380 I421 L424 K425 F428Y279-V382 HydrophobicContact CD2-CG1 4.49Å; Y279-V382 PolarHBondContact N-O 3.32Å; Y279-V382 PolarHBondContact O-N 3.27Å; Y380-V382 HydrophobicContact CE2-CG1 4.38Å; V382-I421 HydrophobicContact CG2-CG2 3.79Å; V382-L424 HydrophobicContact CB-CD2 4.04Å; V382-L424 HydrophobicContact CB-CG 4.17Å; V382-L424 HydrophobicContact CG2-CB 4.31Å; V382-L424 HydrophobicContact CG2-CD2 4.35Å; V382-L424 HydrophobicContact CG2-CG 4.42Å; V382-K425 HydrophobicContact CG1-CB 4.44Å; V382-K425 HydrophobicContact CG2-CB 4.26Å; V382-F428 HydrophobicContact CG1-CB 4.43Å
383T98.3Very high94.8Very high1 Ų112 Ų121%0.0067%0.066CC..EExtended strand (participates in β ladder)trans-123.3-172.9-179.575.40000110.3V270 A274 Y277 V278 G385 A386 I421V270-T383 HydrophobicContact CG1-CG2 3.59Å; A274-T383 HydrophobicContact CB-CG2 3.88Å; Y277-T383 WeakPolarHBondContact CE2-O 3.46Å; Y277-T383 VanDerWaalsContact CZ-C 3.41Å; Y277-T383 VanDerWaalsContact CZ-O 3.3Å; Y277-T383 VanDerWaalsContact O-CA 3.31Å; Y277-T383 WeakPolarHBondContact O-CA 3.32Å; Y277-T383 WeakPolarHBondContact O-CB 3.25Å; Y277-T383 PolarHBondContact OH-O 3.19Å; V278-T383 HydrophobicContact CG2-CG2 4.03Å; T383-G385 PolarHBondContact O-N 2.85Å; T383-G385 PolarHBondContact OG1-N 3.49Å; T383-A386 PolarHBondContact N-O 3.26Å; T383-A386 PolarHBondContact OG1-N 3.48Å; T383-A386 PolarHBondContact OG1-O 3.02Å; T383-I421 WeakPolarHBondContact O-CG2 3.39Å
384D95.8Very high96.1Very high35 Ų359.7 Ų9.719%0.1875%0.051CC..SBendtrans-73.6-9.6176.255.8-60000114.4K275 Q276 Y277 V414K275-D384 WeakPolarHBondContact CB-OD2 3.37Å; K275-D384 PolarHBondContact N-OD1 2.51Å; K275-D384 PolarHBondContact N-OD2 3.05Å; Q276-D384 HydrophobicContact CB-CB 4Å; Q276-D384 HydrophobicContact CG-CB 4.26Å; Q276-D384 PolarHBondContact N-OD1 2.92Å; Q276-D384 VanDerWaalsContact N-OD1 3.1Å; Q276-D384 PolarHBondContact N-OD2 3.22Å; Y277-D384 HydrophobicContact CD1-CB 4.2Å; Y277-D384 HydrophobicContact CE1-CB 3.8Å; D384-V414 WeakPolarHBondContact O-CG2 3.18Å
385G96.1Very high96.6Very high27 Ų278.2 Ų8.228%0.2785%0.048SC..SBendtrans-143.7-4.7179.500000115.7T383 N410 Q411 I421T383-G385 PolarHBondContact O-N 2.85Å; T383-G385 PolarHBondContact OG1-N 3.49Å; G385-N410 WeakPolarHBondContact O-CA 3.38Å; G385-Q411 PolarHBondContact O-N 3.07Å; G385-I421 VanDerWaalsContact C-CD1 3.46Å; G385-I421 VanDerWaalsContact O-CD1 3.28Å; G385-I421 WeakPolarHBondContact O-CD1 3.39Å
386A97.9Very high96.9Very high1 Ų17.7 Ų7.71%0.0085%0.045CC..EExtended strand (participates in β ladder)trans-146.2161.1-178.200000113.3V270 T383 I409 N410V270-A386 HydrophobicContact CG1-CB 3.91Å; V270-A386 HydrophobicContact CG2-CB 4.22Å; T383-A386 PolarHBondContact N-O 3.26Å; T383-A386 PolarHBondContact OG1-N 3.48Å; T383-A386 PolarHBondContact OG1-O 3.02Å; A386-I409 CarbonylContact C-O 3.46Å; A386-I409 VanDerWaalsContact CA-O 3.23Å; A386-I409 WeakPolarHBondContact CA-O 3.11Å; A386-N410 WeakPolarHBondContact CB-ND2 2.96Å
387A98.2Very high96.8Very high2 Ų29 Ų92%0.0175%0.053CC..EExtended strand (participates in β ladder)trans-132143.3168.300000109.9M381 V408 I409 I421 L424M381-A387 CarbonylContact O-C 3.49Å; M381-A387 WeakPolarHBondContact O-CA 3.06Å; A387-V408 CarbonylContact O-C 3.41Å; A387-V408 WeakPolarHBondContact O-CA 3.36Å; A387-I409 PolarHBondContact N-O 3.32Å; A387-I409 PolarHBondContact O-N 3.23Å; A387-I421 HydrophobicContact CB-CG1 4.28Å; A387-L424 HydrophobicContact CB-CD2 3.66Å
388Y98.7Very high96.8Very high1 Ų18.2 Ų8.20%0.0045%0.051CC..EExtended strand (participates in β ladder)trans-117.2131.8167.7171.1-91.4000108.9D263 I267 Y380 M381 L407 V408D263-Y388 WeakPolarHBondContact OD1-CE2 3.34Å; D263-Y388 PolarHBondContact OD1-OH 3.35Å; D263-Y388 PolarHBondContact OD2-OH 3.39Å; I267-Y388 HydrophobicContact CD1-CD1 4.37Å; I267-Y388 HydrophobicContact CD1-CE1 3.8Å; I267-Y388 HydrophobicContact CD1-CE2 4.3Å; I267-Y388 HydrophobicContact CG1-CD1 3.94Å; I267-Y388 HydrophobicContact CG1-CD2 3.87Å; I267-Y388 HydrophobicContact CG1-CE1 3.78Å; I267-Y388 HydrophobicContact CG1-CE2 3.69Å; I267-Y388 HydrophobicContact CG1-CG 3.99Å; Y380-Y388 CarbonylContact C-O 3.55Å; Y380-Y388 WeakPolarHBondContact CA-O 3.28Å; Y380-Y388 VanDerWaalsContact CB-O 3.29Å; Y380-Y388 WeakPolarHBondContact CB-O 3.37Å; M381-Y388 PolarHBondContact N-O 3.27Å; M381-Y388 PolarHBondContact O-N 2.99Å; Y388-L407 CarbonylContact C-O 3.48Å; Y388-L407 WeakPolarHBondContact CA-O 3.28Å; Y388-V408 HydrophobicContact CD2-CG2 3.85Å
389I98.6Very high96.8Very high4 Ų48.7 Ų8.72%0.0215%0.053CC..EExtended strand (participates in β ladder)trans-128.1125.8173.6-59.3171.2000106.6L187 V189 G406 L407 L424L187-I389 HydrophobicContact CD2-CD1 4.43Å; V189-I389 HydrophobicContact CB-CD1 4.31Å; V189-I389 HydrophobicContact CG1-CD1 3.48Å; V189-I389 VanDerWaalsContact CG1-CD1 3.48Å; V189-I389 HydrophobicContact CG2-CD1 3.88Å; I389-G406 CarbonylContact O-C 3.47Å; I389-L407 PolarHBondContact N-O 2.83Å; I389-L407 PolarHBondContact O-N 3.48Å; I389-L424 HydrophobicContact CG1-CD2 4.36Å
390G96.8Very high96.6Very high0 Ų010.9 Ų10.90%07%0.067CC..  trans-142.2-169.4-174.600000113.9K379K379-G390 WeakPolarHBondContact CB-O 3.42Å; K379-G390 PolarHBondContact O-N 3.42Å
391N96.4Very high96.3Very high5 Ų512.4 Ų12.43%0.0278%0.075CC..SBendtrans-111.6-5.8-178-56.5131.5000114Q158 S159 S160 G172 K379 T405Q158-N391 WeakPolarHBondContact O-CB 3.38Å; S159-N391 VanDerWaalsContact CA-OD1 3.31Å; S159-N391 WeakPolarHBondContact CA-OD1 3.32Å; S160-N391 PolarHBondContact N-ND2 2.78Å; S160-N391 PolarHBondContact N-OD1 2.82Å; G172-N391 PolarHBondContact O-ND2 3.42Å; K379-N391 VanDerWaalsContact CD-C 3.44Å; K379-N391 VanDerWaalsContact CD-O 3.29Å; K379-N391 WeakPolarHBondContact CD-O 3.43Å; K379-N391 WeakPolarHBondContact CE-O 3.39Å; N391-T405 PolarHBondContact OD1-N 2.76Å; N391-T405 PolarHBondContact OD1-O 2.04Å
392F97.1Very high96.2Very high0 Ų013 Ų130%08%0.078CC..  trans-110142.5-171.2-66.9-27.6000113.8Q158 D263 K379 D398 F399 N402 G404Q158-F392 HydrophobicContact CB-CD1 4.23Å; Q158-F392 HydrophobicContact CB-CE1 3.94Å; D263-F392 WeakPolarHBondContact OD2-CD2 3.41Å; K379-F392 WeakPolarHBondContact CG-O 3.15Å; F392-D398 HydrophobicContact CB-CB 3.73Å; F392-D398 HydrophobicContact CD1-CB 3.82Å; F392-D398 HydrophobicContact CD2-CB 4.24Å; F392-D398 HydrophobicContact CE1-CB 4.44Å; F392-D398 WeakPolarHBondContact CE2-O 3.15Å; F392-D398 HydrophobicContact CG-CB 3.71Å; F392-D398 WeakPolarHBondContact CZ-O 3.39Å; F392-F399 HydrophobicContact CB-CE1 4.22Å; F392-F399 HydrophobicContact CB-CE2 4.21Å; F392-F399 HydrophobicContact CB-CZ 3.89Å; F392-F399 AromaticContact CD2-CD1 3.72Å; F392-F399 HydrophobicContact CD2-CD1 3.72Å; F392-F399 AromaticContact CD2-CE1 3.73Å; F392-F399 HydrophobicContact CD2-CE1 3.73Å; F392-F399 HydrophobicContact CD2-CG 4.19Å; F392-F399 HydrophobicContact CD2-CZ 4.21Å; F392-F399 HydrophobicContact CE2-CD1 4.26Å; F392-N402 HydrophobicContact CE1-CB 3.64Å; F392-N402 HydrophobicContact CZ-CB 3.95Å; F392-N402 WeakPolarHBondContact CZ-O 3.28Å; F392-G404 VanDerWaalsContact CZ-N 3.32Å
393D96.3Very high96Very high10 Ų1013 Ų135%0.0538%0.078CC..  trans-76.6162.3164.4-65.6-53.9000109.6M283 D284 K379 V395 D398 F399M283-D393 WeakPolarHBondContact CA-OD1 3.44Å; M283-D393 WeakPolarHBondContact CB-OD1 3.04Å; M283-D393 WeakPolarHBondContact CE-OD2 3.36Å; M283-D393 PolarHBondContact N-OD1 3.11Å; D284-D393 HydrophobicContact CB-CB 4.1Å; K379-D393 WeakPolarHBondContact CE-OD2 3.32Å; K379-D393 IonicContact NZ-OD1 2.94Å; K379-D393 PolarHBondContact NZ-OD1 3.08Å; K379-D393 IonicContact NZ-OD2 3.25Å; K379-D393 PolarHBondContact NZ-OD2 2.93Å; D393-V395 HydrophobicContact CB-CG2 4.18Å; D393-V395 PolarHBondContact O-N 3.07Å; D393-D398 PolarHBondContact N-OD2 2.9Å; D393-F399 WeakPolarHBondContact O-CE2 3.28Å
394W96.6Very high96Very high3 Ų313 Ų131%0.0118%0.077CC..EExtended strand (participates in β ladder)trans-85.563.7-173.5-74.224.1000109.8I267 I271 I280 V282 D284 Y285 L286 L301 I305 M381I267-W394 HydrophobicContact CG2-CH2 4.07Å; I267-W394 HydrophobicContact CG2-CZ2 3.93Å; I271-W394 HydrophobicContact CD1-CH2 4.14Å; I271-W394 HydrophobicContact CD1-CZ3 4.5Å; I280-W394 HydrophobicContact CB-CH2 4.31Å; I280-W394 HydrophobicContact CD1-CE3 4.36Å; I280-W394 HydrophobicContact CD1-CH2 3.36Å; I280-W394 HydrophobicContact CD1-CZ2 4.33Å; I280-W394 HydrophobicContact CD1-CZ3 3.4Å; I280-W394 HydrophobicContact CG1-CH2 3.51Å; I280-W394 HydrophobicContact CG1-CZ2 4.04Å; I280-W394 HydrophobicContact CG1-CZ3 4.01Å; I280-W394 HydrophobicContact CG2-CD2 4.06Å; I280-W394 HydrophobicContact CG2-CE3 4.13Å; I280-W394 HydrophobicContact CG2-CH2 3.79Å; I280-W394 HydrophobicContact CG2-CZ2 3.68Å; I280-W394 HydrophobicContact CG2-CZ3 4.03Å; V282-W394 HydrophobicContact CG1-CB 4.4Å; V282-W394 VanDerWaalsContact CG1-CD1 3.4Å; V282-W394 HydrophobicContact CG1-CD2 4.19Å; V282-W394 HydrophobicContact CG1-CG 3.75Å; D284-W394 PolarHBondContact O-N 2.91Å; Y285-W394 HydrophobicContact CD2-CB 3.92Å; Y285-W394 HydrophobicContact CD2-CE3 4.28Å; Y285-W394 HydrophobicContact CE2-CE3 4.14Å; L286-W394 PolarHBondContact N-O 3.14Å; L301-W394 HydrophobicContact CB-CE3 4.03Å; L301-W394 HydrophobicContact CB-CZ3 4.34Å; L301-W394 HydrophobicContact CD1-CB 4.06Å; L301-W394 HydrophobicContact CD1-CD2 3.64Å; L301-W394 HydrophobicContact CD1-CE3 3.88Å; L301-W394 HydrophobicContact CD1-CG 3.69Å; L301-W394 HydrophobicContact CG-CE3 4.48Å; I305-W394 HydrophobicContact CD1-CE3 4.12Å; I305-W394 HydrophobicContact CD1-CZ3 3.73Å; I305-W394 HydrophobicContact CG1-CZ3 4.18Å; M381-W394 HydrophobicContact CB-CZ2 4.32Å; M381-W394 HydrophobicContact SD-CH2 3.84Å; M381-W394 HydrophobicContact SD-CZ2 4.14Å
395V96.4Very high96Very high24 Ų2411.3 Ų11.315%0.1457%0.068CC..EExtended strand (participates in β ladder)trans-129138.1-176.4-173.20000109.4D284 L286 D393 N397 D398D284-V395 HydrophobicContact CB-CG2 3.89Å; L286-V395 HydrophobicContact CB-CG1 4.29Å; L286-V395 HydrophobicContact CB-CG2 4.03Å; L286-V395 WeakPolarHBondContact O-CA 3.11Å; D393-V395 HydrophobicContact CB-CG2 4.18Å; D393-V395 PolarHBondContact O-N 3.07Å; V395-N397 VanDerWaalsContact C-N 3.28Å; V395-N397 PolarHBondContact O-N 2.85Å; V395-D398 PolarHBondContact O-N 3.13Å; V395-D398 VanDerWaalsContact O-N 3.09Å
396G94.3Very high96.1Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-61.8-31.6-169.700000114.7I288 W298 D398 T400I288-G396 PolarHBondContact O-N 2.88Å; W298-G396 VanDerWaalsContact CE3-CA 3.47Å; G396-D398 VanDerWaalsContact C-N 3.32Å; G396-D398 PolarHBondContact O-N 3.48Å; G396-T400 WeakPolarHBondContact O-CB 3.42Å; G396-T400 VanDerWaalsContact O-CG2 3.27Å; G396-T400 WeakPolarHBondContact O-CG2 3.5Å; G396-T400 PolarHBondContact O-N 3.3Å; G396-T400 PolarHBondContact O-OG1 2.79Å
397N92.6Very high96.2Very high30 Ų3010 Ų1016%0.166%0.055CC..Hα-helixtrans-65.1-34.9176.9-79.451.8000113.4S289 S290 V395 F399 T400 Q401 N402S289-N397 WeakPolarHBondContact CA-OD1 3.4Å; S289-N397 PolarHBondContact OG-OD1 3.48Å; S290-N397 PolarHBondContact N-OD1 3.18Å; S290-N397 PolarHBondContact O-ND2 3.22Å; S290-N397 PolarHBondContact O-OD1 3.33Å; V395-N397 VanDerWaalsContact C-N 3.28Å; V395-N397 PolarHBondContact O-N 2.85Å; N397-F399 VanDerWaalsContact C-N 3.34Å; N397-F399 PolarHBondContact O-N 3.12Å; N397-T400 PolarHBondContact O-N 2.85Å; N397-Q401 PolarHBondContact ND2-NE2 3.45Å; N397-Q401 PolarHBondContact ND2-OE1 2.91Å; N397-Q401 VanDerWaalsContact ND2-OE1 3.09Å; N397-Q401 WeakPolarHBondContact O-CA 3.28Å; N397-Q401 WeakPolarHBondContact O-CB 3.13Å; N397-Q401 PolarHBondContact O-N 2.94Å; N397-N402 PolarHBondContact O-N 3.47Å
398D95.2Very high96.2Very high17 Ų179.9 Ų9.99%0.0915%0.054CC..Hα-helixtrans-63-46.1-174.9-74.37.4000109.8F392 D393 V395 G396 N402F392-D398 HydrophobicContact CB-CB 3.73Å; F392-D398 HydrophobicContact CD1-CB 3.82Å; F392-D398 HydrophobicContact CD2-CB 4.24Å; F392-D398 HydrophobicContact CE1-CB 4.44Å; F392-D398 WeakPolarHBondContact CE2-O 3.15Å; F392-D398 HydrophobicContact CG-CB 3.71Å; F392-D398 WeakPolarHBondContact CZ-O 3.39Å; D393-D398 PolarHBondContact N-OD2 2.9Å; V395-D398 PolarHBondContact O-N 3.13Å; V395-D398 VanDerWaalsContact O-N 3.09Å; G396-D398 VanDerWaalsContact C-N 3.32Å; G396-D398 PolarHBondContact O-N 3.48Å; D398-N402 WeakPolarHBondContact O-CB 3.02Å; D398-N402 PolarHBondContact O-N 3.42Å; D398-N402 PolarHBondContact OD1-ND2 2.05Å
399F95.3Very high96.2Very high10 Ų109.9 Ų9.94%0.0445%0.054CC..Hα-helixtrans-76.7-29.3178.6-62.5-82.8000114.5D263 I264 I267 W298 L301 F392 D393 N397D263-F399 HydrophobicContact CB-CD1 4.34Å; D263-F399 HydrophobicContact CB-CE1 4.45Å; I264-F399 HydrophobicContact CB-CD1 4.16Å; I267-F399 HydrophobicContact CD1-CE1 3.45Å; I267-F399 VanDerWaalsContact CD1-CE1 3.45Å; I267-F399 HydrophobicContact CD1-CZ 3.53Å; W298-F399 HydrophobicContact CH2-CB 4.35Å; W298-F399 AromaticContact CH2-CD2 3.42Å; W298-F399 HydrophobicContact CH2-CD2 3.42Å; W298-F399 VanDerWaalsContact CH2-CD2 3.42Å; W298-F399 HydrophobicContact CH2-CE2 4.01Å; W298-F399 HydrophobicContact CH2-CG 4.05Å; W298-F399 HydrophobicContact CZ2-CB 3.95Å; W298-F399 AromaticContact CZ2-CD2 3.92Å; W298-F399 HydrophobicContact CZ2-CD2 3.92Å; W298-F399 HydrophobicContact CZ2-CG 4.14Å; W298-F399 HydrophobicContact CZ3-CD2 4.3Å; L301-F399 HydrophobicContact CD1-CD2 4.38Å; L301-F399 HydrophobicContact CD1-CE2 3.63Å; L301-F399 HydrophobicContact CD1-CZ 3.85Å; F392-F399 HydrophobicContact CB-CE1 4.22Å; F392-F399 HydrophobicContact CB-CE2 4.21Å; F392-F399 HydrophobicContact CB-CZ 3.89Å; F392-F399 AromaticContact CD2-CD1 3.72Å; F392-F399 HydrophobicContact CD2-CD1 3.72Å; F392-F399 AromaticContact CD2-CE1 3.73Å; F392-F399 HydrophobicContact CD2-CE1 3.73Å; F392-F399 HydrophobicContact CD2-CG 4.19Å; F392-F399 HydrophobicContact CD2-CZ 4.21Å; F392-F399 HydrophobicContact CE2-CD1 4.26Å; D393-F399 WeakPolarHBondContact O-CE2 3.28Å; N397-F399 VanDerWaalsContact C-N 3.34Å; N397-F399 PolarHBondContact O-N 3.12Å
400T92.6Very high96.1Very high59 Ų5910.6 Ų10.636%0.3626%0.058SC..Hα-helixtrans-93.9-28.3-172.757.80000113.7P252 G396 N397P252-T400 WeakPolarHBondContact CB-O 3.34Å; G396-T400 WeakPolarHBondContact O-CB 3.42Å; G396-T400 VanDerWaalsContact O-CG2 3.27Å; G396-T400 WeakPolarHBondContact O-CG2 3.5Å; G396-T400 PolarHBondContact O-N 3.3Å; G396-T400 PolarHBondContact O-OG1 2.79Å; N397-T400 PolarHBondContact O-N 2.85Å
401Q92.9Very high96Very high32 Ų3211 Ų1115%0.156%0.06CC..Hα-helixtrans-119.3-39.4-173.9-62.9173.421.600112.4M149 N153 N397M149-Q401 WeakPolarHBondContact CE-O 3.4Å; N153-Q401 VanDerWaalsContact CG-O 3.29Å; N153-Q401 WeakPolarHBondContact ND2-CA 3.19Å; N153-Q401 PolarHBondContact ND2-O 3.15Å; N153-Q401 PolarHBondContact OD1-O 3Å; N153-Q401 VanDerWaalsContact OD1-O 3.12Å; N397-Q401 PolarHBondContact ND2-NE2 3.45Å; N397-Q401 PolarHBondContact ND2-OE1 2.91Å; N397-Q401 VanDerWaalsContact ND2-OE1 3.09Å; N397-Q401 WeakPolarHBondContact O-CA 3.28Å; N397-Q401 WeakPolarHBondContact O-CB 3.13Å; N397-Q401 PolarHBondContact O-N 2.94Å
402N95.1Very high95.1Very high12 Ų1215.4 Ų15.46%0.06410%0.097CC..SBendtrans-82.3153.5-172.6-60.2-27.5000112.2G155 R156 Q158 S251 P252 F392 N397 D398G155-N402 WeakPolarHBondContact CA-OD1 3.14Å; R156-N402 PolarHBondContact N-OD1 3.42Å; R156-N402 CarbonylContact O-C 3.53Å; R156-N402 VanDerWaalsContact O-CA 3.25Å; R156-N402 WeakPolarHBondContact O-CA 3.39Å; R156-N402 WeakPolarHBondContact O-CB 3.48Å; Q158-N402 HydrophobicContact CG-CB 4.24Å; Q158-N402 PolarHBondContact NE2-ND2 2.87Å; Q158-N402 PolarHBondContact OE1-ND2 3.44Å; S251-N402 CarbonylContact C-O 3.57Å; P252-N402 VanDerWaalsContact CD-O 3.23Å; P252-N402 WeakPolarHBondContact CD-O 3.38Å; F392-N402 HydrophobicContact CE1-CB 3.64Å; F392-N402 HydrophobicContact CZ-CB 3.95Å; F392-N402 WeakPolarHBondContact CZ-O 3.28Å; N397-N402 PolarHBondContact O-N 3.47Å; D398-N402 WeakPolarHBondContact O-CB 3.02Å; D398-N402 PolarHBondContact O-N 3.42Å; D398-N402 PolarHBondContact OD1-ND2 2.05Å
403A95.8Very high94.3Very high0 Ų019 Ų190%012%0.116CC..BIsolated β-bridgetrans-92.1124.1170.900000109.5M147 M149 R156 L157 Q158 S159 Y208 S251 F255M147-A403 HydrophobicContact CE-CB 4.26Å; M149-A403 HydrophobicContact CE-CB 3.96Å; M149-A403 HydrophobicContact CG-CB 4.5Å; M149-A403 HydrophobicContact SD-CB 3.9Å; R156-A403 PolarHBondContact O-N 3.25Å; L157-A403 HydrophobicContact CD1-CB 3.73Å; Q158-A403 CarbonylContact C-O 3.59Å; Q158-A403 PolarHBondContact N-O 3.13Å; S159-A403 PolarHBondContact N-O 3.3Å; Y208-A403 HydrophobicContact CE1-CB 4.36Å; S251-A403 WeakPolarHBondContact O-CA 3.05Å; F255-A403 HydrophobicContact CD2-CB 3.96Å; F255-A403 HydrophobicContact CE2-CB 3.91Å
404G96.4Very high93.6Very high0 Ų020.3 Ų20.30%012%0.124CC..EExtended strand (participates in β ladder)trans-156.6158.5-173.700000111.1N250 S251 F392N250-G404 WeakPolarHBondContact CA-O 3.42Å; N250-G404 PolarHBondContact OD1-O 2.88Å; S251-G404 PolarHBondContact N-O 2.85Å; S251-G404 PolarHBondContact O-N 3.41Å; F392-G404 VanDerWaalsContact CZ-N 3.32Å
405T97.5Very high92.8Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-125.8133.3-176.6-540000109.7S159 F161 I171 L201 I204 Y208 S249 N391S159-T405 WeakPolarHBondContact OG-CB 3.34Å; S159-T405 PolarHBondContact OG-OG1 2.92Å; F161-T405 HydrophobicContact CD1-CG2 4.29Å; I171-T405 HydrophobicContact CD1-CG2 3.72Å; L201-T405 HydrophobicContact CD1-CG2 3.9Å; I204-T405 HydrophobicContact CD1-CG2 3.61Å; Y208-T405 PolarHBondContact OH-OG1 3.33Å; S249-T405 WeakPolarHBondContact O-CA 3.29Å; S249-T405 WeakPolarHBondContact O-CG2 3.48Å; N391-T405 PolarHBondContact OD1-N 2.76Å; N391-T405 PolarHBondContact OD1-O 2.04Å
406G97.9Very high92.2Very high0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-113.6160.2174.400000111.6V248 S249 D263 I389V248-G406 CarbonylContact C-O 3.59Å; V248-G406 VanDerWaalsContact CA-O 3.23Å; V248-G406 WeakPolarHBondContact CA-O 3.24Å; S249-G406 PolarHBondContact N-O 3.02Å; S249-G406 PolarHBondContact O-N 3.01Å; S249-G406 VanDerWaalsContact O-N 3.08Å; S249-G406 VanDerWaalsContact OG-CA 3.24Å; S249-G406 WeakPolarHBondContact OG-CA 3.46Å; S249-G406 PolarHBondContact OG-N 3.5Å; S249-G406 PolarHBondContact OG-O 3.49Å; D263-G406 VanDerWaalsContact OD1-CA 3.28Å; D263-G406 WeakPolarHBondContact OD1-CA 3.36Å; D263-G406 PolarHBondContact OD1-N 3.36Å; I389-G406 CarbonylContact O-C 3.47Å
407L98.6Very high91.7Very high1 Ų138.5 Ų38.51%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-131.1127.5173.5172.170.9000108.9I171 V189 F191 L197 A246 V248 Y388 I389 I409I171-L407 HydrophobicContact CD1-CB 4.12Å; I171-L407 HydrophobicContact CG2-CB 4.23Å; I171-L407 HydrophobicContact CG2-CD2 3.65Å; V189-L407 HydrophobicContact CG2-CD2 3.6Å; F191-L407 HydrophobicContact CE2-CD2 3.5Å; F191-L407 HydrophobicContact CZ-CD2 3.72Å; L197-L407 HydrophobicContact CD1-CD1 4.4Å; A246-L407 HydrophobicContact CB-CD1 4.43Å; V248-L407 HydrophobicContact CG1-CB 4.41Å; V248-L407 HydrophobicContact CG1-CD1 3.82Å; Y388-L407 CarbonylContact C-O 3.48Å; Y388-L407 WeakPolarHBondContact CA-O 3.28Å; I389-L407 PolarHBondContact N-O 2.83Å; I389-L407 PolarHBondContact O-N 3.48Å; L407-I409 HydrophobicContact CD1-CG1 4.39Å; L407-I409 HydrophobicContact CD2-CD1 3.96Å; L407-I409 HydrophobicContact CD2-CG1 4.06Å; L407-I409 HydrophobicContact CG-CD1 4.46Å; L407-I409 HydrophobicContact CG-CG1 4.01Å
408V98.8Very high91.4Very high0 Ų042.9 Ų42.90%022%0.218CC..EExtended strand (participates in β ladder)trans-107.3135.2168.8176.10000109.4A246 F247 A266 V270 A387 Y388A246-V408 WeakPolarHBondContact CA-O 3.3Å; A246-V408 WeakPolarHBondContact CB-O 3.48Å; F247-V408 HydrophobicContact CD1-CB 3.95Å; F247-V408 HydrophobicContact CD1-CG1 4.26Å; F247-V408 HydrophobicContact CE1-CB 3.46Å; F247-V408 VanDerWaalsContact CE1-CB 3.46Å; F247-V408 HydrophobicContact CE1-CG1 3.54Å; F247-V408 HydrophobicContact CE1-CG2 4Å; F247-V408 HydrophobicContact CE2-CB 4.24Å; F247-V408 HydrophobicContact CE2-CG2 4.07Å; F247-V408 HydrophobicContact CZ-CB 3.63Å; F247-V408 HydrophobicContact CZ-CG1 3.98Å; F247-V408 HydrophobicContact CZ-CG2 3.6Å; F247-V408 PolarHBondContact N-O 2.98Å; F247-V408 VanDerWaalsContact N-O 3.16Å; F247-V408 PolarHBondContact O-N 3.43Å; A266-V408 HydrophobicContact CB-CG2 3.91Å; V270-V408 HydrophobicContact CG2-CB 4.41Å; V270-V408 HydrophobicContact CG2-CG1 3.61Å; V270-V408 HydrophobicContact CG2-CG2 3.87Å; A387-V408 CarbonylContact O-C 3.41Å; A387-V408 WeakPolarHBondContact O-CA 3.36Å; Y388-V408 HydrophobicContact CD2-CG2 3.85Å
409I98.4Very high91.3Very high1 Ų142.1 Ų42.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-126.2125.3173.2-51.1174000108.7I48 F191 L239 Q245 A386 A387 L407 Q411 I420I48-I409 HydrophobicContact CD1-CD1 3.71Å; F191-I409 HydrophobicContact CZ-CD1 3.86Å; F191-I409 HydrophobicContact CZ-CG1 4.47Å; L239-I409 HydrophobicContact CD1-CG2 3.87Å; Q245-I409 CarbonylContact O-C 3.5Å; Q245-I409 WeakPolarHBondContact O-CA 3.49Å; A386-I409 CarbonylContact C-O 3.46Å; A386-I409 VanDerWaalsContact CA-O 3.23Å; A386-I409 WeakPolarHBondContact CA-O 3.11Å; A387-I409 PolarHBondContact N-O 3.32Å; A387-I409 PolarHBondContact O-N 3.23Å; L407-I409 HydrophobicContact CD1-CG1 4.39Å; L407-I409 HydrophobicContact CD2-CD1 3.96Å; L407-I409 HydrophobicContact CD2-CG1 4.06Å; L407-I409 HydrophobicContact CG-CD1 4.46Å; L407-I409 HydrophobicContact CG-CG1 4.01Å; I409-Q411 HydrophobicContact CG2-CG 4.18Å; I409-I420 HydrophobicContact CD1-CG2 3.99Å; I409-I420 HydrophobicContact CG2-CG2 3.97Å
410N97.4Very high91.3Very high19 Ų1941.7 Ų41.710%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-107.3139.6169.6-6299000109.9K234 S244 Q245 G385 A386K234-N410 PolarHBondContact NZ-OD1 3.33Å; S244-N410 CarbonylContact C-O 3.57Å; S244-N410 VanDerWaalsContact CA-O 3.26Å; S244-N410 WeakPolarHBondContact CA-O 3.3Å; Q245-N410 HydrophobicContact CB-CB 4.21Å; Q245-N410 PolarHBondContact N-O 3.33Å; Q245-N410 PolarHBondContact O-N 3.04Å; G385-N410 WeakPolarHBondContact O-CA 3.38Å; A386-N410 WeakPolarHBondContact CB-ND2 2.96Å
411Q93.9Very high91.5Very high9 Ų938.9 Ų38.94%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-136.8139.6172.4-53.5-169.5-72.100110.6T242 S244 G385 I409 S419 I421T242-Q411 HydrophobicContact CG2-CB 4.42Å; S244-Q411 PolarHBondContact OG-NE2 3.34Å; G385-Q411 PolarHBondContact O-N 3.07Å; I409-Q411 HydrophobicContact CG2-CG 4.18Å; Q411-S419 PolarHBondContact OE1-OG 2.72Å; Q411-I421 HydrophobicContact CB-CD1 3.73Å; Q411-I421 HydrophobicContact CB-CG1 4.43Å; Q411-I421 HydrophobicContact CG-CD1 3.81Å; Q411-I421 HydrophobicContact CG-CG1 4.12Å
412A78.5Confident91.6Very high96 Ų9639.6 Ų39.679%0.79320%0.198SC*.SBendtrans-81.5-37.5177.300000112.5
413D80.4Confident91.6Very high77 Ų7740.7 Ų40.741%0.41220%0.202SC..  trans-10095176.4-176.76000110.7T242 R415 N416T242-D413 HydrophobicContact CG2-CB 4.35Å; D413-R415 PolarHBondContact OD1-N 2.73Å; D413-N416 PolarHBondContact OD1-N 3.27Å
414V81.4Confident91.7Very high37 Ų3740.7 Ų40.722%0.22420%0.202CC..  trans-98.7-0.6-176.3-135.20000112.2D384 I421D384-V414 WeakPolarHBondContact O-CG2 3.18Å; V414-I421 HydrophobicContact CG1-CB 3.5Å; V414-I421 HydrophobicContact CG1-CD1 4.25Å; V414-I421 HydrophobicContact CG1-CG1 4.46Å; V414-I421 HydrophobicContact CG1-CG2 3.32Å
415R79.3Confident91.8Very high228 Ų22843.4 Ų43.486%0.8621%0.214SC*.SBendtrans-91.1-26.9-177.9-64.1-175.9-177.8-1721.4111.8D413D413-R415 PolarHBondContact OD1-N 2.73Å
416N83.6Confident91.8Very high60 Ų6045.5 Ų45.532%0.32123%0.225SC..SBendtrans-66.8134.4177.6-167.9-27.8000111.4D413 R418 S419D413-N416 PolarHBondContact OD1-N 3.27Å; N416-R418 PolarHBondContact O-N 3.41Å; N416-R418 VanDerWaalsContact O-N 3.07Å; N416-R418 WeakPolarHBondContact OD1-CB 3.34Å; N416-R418 WeakPolarHBondContact OD1-CG 3.39Å; N416-R418 PolarHBondContact OD1-N 2.87Å; N416-S419 WeakPolarHBondContact O-CB 3.33Å; N416-S419 PolarHBondContact O-N 2.7Å
417N83.2Confident91.8Very high121 Ų12145.5 Ų45.565%0.64723%0.225SC*.THydrogen-bonded Turntrans-60.9-17.8175.7-68.1-15.3000113.3S419 K422 Q423N417-S419 VanDerWaalsContact C-N 3.29Å; N417-K422 WeakPolarHBondContact OD1-CE 3.27Å; N417-Q423 PolarHBondContact O-NE2 3.47Å
418R86.6Confident91.7Very high122 Ų12245.4 Ų45.446%0.4623%0.225SC..THydrogen-bonded Turntrans-76.6-14.1173.3-61.7180-176.5-177.8-0.9113.6N240 E241 N416 I420N240-R418 HydrophobicContact CB-CB 4.32Å; E241-R418 IonicContact OE1-NH1 3.51Å; E241-R418 IonicContact OE2-CZ 3.51Å; E241-R418 IonicContact OE2-NH1 2.8Å; E241-R418 PolarHBondContact OE2-NH1 3.33Å; N416-R418 PolarHBondContact O-N 3.41Å; N416-R418 VanDerWaalsContact O-N 3.07Å; N416-R418 WeakPolarHBondContact OD1-CB 3.34Å; N416-R418 WeakPolarHBondContact OD1-CG 3.39Å; N416-R418 PolarHBondContact OD1-N 2.87Å; R418-I420 PolarHBondContact O-N 2.91Å
419S93.4Very high91.7Very high0 Ų047.6 Ų47.60%024%0.235CC..  trans-65.8128.5176.41700000110.5Q411 N416 N417 I421 K422 Q423Q411-S419 PolarHBondContact OE1-OG 2.72Å; N416-S419 WeakPolarHBondContact O-CB 3.33Å; N416-S419 PolarHBondContact O-N 2.7Å; N417-S419 VanDerWaalsContact C-N 3.29Å; S419-I421 VanDerWaalsContact C-N 3.28Å; S419-I421 PolarHBondContact O-N 2.71Å; S419-I421 PolarHBondContact OG-N 3.21Å; S419-K422 PolarHBondContact O-N 2.68Å; S419-K422 PolarHBondContact OG-N 3.28Å; S419-Q423 WeakPolarHBondContact O-CG 3.48Å; S419-Q423 PolarHBondContact O-N 3.05Å
420I95.3Very high91.6Very high1 Ų148.5 Ų48.51%0.00524%0.238CC..Hα-helixtrans-68.3-32.8175.3-167.665.5000111.1I48 L50 V189 I409 R418 K422 Q423 L424I48-I420 HydrophobicContact CD1-CB 4.26Å; I48-I420 HydrophobicContact CD1-CD1 4.28Å; I48-I420 HydrophobicContact CD1-CG1 3.91Å; I48-I420 HydrophobicContact CD1-CG2 4.36Å; I48-I420 HydrophobicContact CG1-CD1 4.43Å; I48-I420 HydrophobicContact CG2-CB 4.44Å; L50-I420 HydrophobicContact CB-CD1 3.77Å; L50-I420 HydrophobicContact CD1-CD1 4.11Å; L50-I420 HydrophobicContact CG-CD1 4.44Å; V189-I420 HydrophobicContact CG1-CD1 4.1Å; V189-I420 HydrophobicContact CG1-CG1 4.24Å; I409-I420 HydrophobicContact CD1-CG2 3.99Å; I409-I420 HydrophobicContact CG2-CG2 3.97Å; R418-I420 PolarHBondContact O-N 2.91Å; I420-K422 VanDerWaalsContact C-N 3.35Å; I420-Q423 PolarHBondContact O-N 3.14Å; I420-L424 VanDerWaalsContact O-CB 3.3Å; I420-L424 WeakPolarHBondContact O-CB 3.37Å; I420-L424 PolarHBondContact O-N 3.47Å
421I96.3Very high91.6Very high0 Ų047.6 Ų47.60%023%0.233CC..Hα-helixtrans-64.7-43.3176.9-59.9179.2000109.8V382 T383 G385 A387 Q411 V414 S419 L424 K425V382-I421 HydrophobicContact CG2-CG2 3.79Å; T383-I421 WeakPolarHBondContact O-CG2 3.39Å; G385-I421 VanDerWaalsContact C-CD1 3.46Å; G385-I421 VanDerWaalsContact O-CD1 3.28Å; G385-I421 WeakPolarHBondContact O-CD1 3.39Å; A387-I421 HydrophobicContact CB-CG1 4.28Å; Q411-I421 HydrophobicContact CB-CD1 3.73Å; Q411-I421 HydrophobicContact CB-CG1 4.43Å; Q411-I421 HydrophobicContact CG-CD1 3.81Å; Q411-I421 HydrophobicContact CG-CG1 4.12Å; V414-I421 HydrophobicContact CG1-CB 3.5Å; V414-I421 HydrophobicContact CG1-CD1 4.25Å; V414-I421 HydrophobicContact CG1-CG1 4.46Å; V414-I421 HydrophobicContact CG1-CG2 3.32Å; S419-I421 VanDerWaalsContact C-N 3.28Å; S419-I421 PolarHBondContact O-N 2.71Å; S419-I421 PolarHBondContact OG-N 3.21Å; I421-L424 PolarHBondContact O-N 3.09Å; I421-K425 WeakPolarHBondContact O-CB 3.47Å; I421-K425 PolarHBondContact O-N 2.7Å
422K95.5Very high91.7Very high48 Ų4847.6 Ų47.621%0.20923%0.233CC..Hα-helixtrans-61.4-49.2173.3177162.5168.740.20111.9N417 S419 I420 L424 K425 D426N417-K422 WeakPolarHBondContact OD1-CE 3.27Å; S419-K422 PolarHBondContact O-N 2.68Å; S419-K422 PolarHBondContact OG-N 3.28Å; I420-K422 VanDerWaalsContact C-N 3.35Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.25Å; K422-K425 WeakPolarHBondContact O-CB 3.45Å; K422-K425 PolarHBondContact O-N 2.8Å; K422-D426 VanDerWaalsContact NZ-CG 3.3Å; K422-D426 IonicContact NZ-OD1 2.95Å; K422-D426 PolarHBondContact NZ-OD1 3.13Å; K422-D426 IonicContact NZ-OD2 2.94Å; K422-D426 PolarHBondContact NZ-OD2 3.01Å; K422-D426 PolarHBondContact O-N 3.22Å
423Q96.4Very high92.6Very high35 Ų3550 Ų5016%0.16422%0.223CC..Hα-helixtrans-58.3-44.6179.2-71.4175.329.400111.9L50 N417 S419 I420 K425 D426 V427L50-Q423 HydrophobicContact CD2-CB 4.31Å; N417-Q423 PolarHBondContact O-NE2 3.47Å; S419-Q423 WeakPolarHBondContact O-CG 3.48Å; S419-Q423 PolarHBondContact O-N 3.05Å; I420-Q423 PolarHBondContact O-N 3.14Å; Q423-K425 VanDerWaalsContact C-N 3.35Å; Q423-K425 PolarHBondContact O-N 3.47Å; Q423-D426 PolarHBondContact O-N 3.17Å; Q423-V427 WeakPolarHBondContact O-CG2 3.27Å; Q423-V427 PolarHBondContact O-N 3.12Å
424L97.6Very high93.2Very high0 Ų046.9 Ų46.90%021%0.207CC..Hα-helixtrans-66.3-37.3178.8-170.461.7000112.1L50 L187 Y380 V382 A387 I389 I420 I421 K422 V427 F428L50-L424 HydrophobicContact CD1-CD1 4.13Å; L50-L424 HydrophobicContact CD2-CD1 4.41Å; L187-L424 HydrophobicContact CD1-CD1 3.74Å; L187-L424 HydrophobicContact CD2-CD1 3.72Å; L187-L424 HydrophobicContact CG-CD1 4.37Å; Y380-L424 HydrophobicContact CD1-CD1 4.31Å; Y380-L424 HydrophobicContact CD2-CD1 3.63Å; Y380-L424 HydrophobicContact CD2-CD2 3.74Å; Y380-L424 HydrophobicContact CD2-CG 3.68Å; Y380-L424 HydrophobicContact CE1-CD1 4.33Å; Y380-L424 HydrophobicContact CE2-CD1 3.68Å; Y380-L424 HydrophobicContact CE2-CD2 4.33Å; Y380-L424 HydrophobicContact CE2-CG 3.77Å; Y380-L424 HydrophobicContact CG-CD1 3.97Å; Y380-L424 HydrophobicContact CG-CD2 4.35Å; Y380-L424 HydrophobicContact CG-CG 4.44Å; V382-L424 HydrophobicContact CB-CD2 4.04Å; V382-L424 HydrophobicContact CB-CG 4.17Å; V382-L424 HydrophobicContact CG2-CB 4.31Å; V382-L424 HydrophobicContact CG2-CD2 4.35Å; V382-L424 HydrophobicContact CG2-CG 4.42Å; A387-L424 HydrophobicContact CB-CD2 3.66Å; I389-L424 HydrophobicContact CG1-CD2 4.36Å; I420-L424 VanDerWaalsContact O-CB 3.3Å; I420-L424 WeakPolarHBondContact O-CB 3.37Å; I420-L424 PolarHBondContact O-N 3.47Å; I421-L424 PolarHBondContact O-N 3.09Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.25Å; L424-V427 PolarHBondContact O-N 3.21Å; L424-F428 PolarHBondContact O-N 3.26Å
425K97.6Very high93.6Very high56 Ų5648.7 Ų48.724%0.24322%0.219CC..Hα-helixtrans-62.8-45.2171.3-173.5-159.9179.3-177.30111.4Y277 Y279 V382 I421 K422 Q423 V427 F428 E429Y277-K425 HydrophobicContact CE2-CG 4.49Å; Y277-K425 WeakPolarHBondContact OH-CD 3.48Å; Y279-K425 HydrophobicContact CD2-CG 4.4Å; Y279-K425 HydrophobicContact CE2-CG 4.36Å; V382-K425 HydrophobicContact CG1-CB 4.44Å; V382-K425 HydrophobicContact CG2-CB 4.26Å; I421-K425 WeakPolarHBondContact O-CB 3.47Å; I421-K425 PolarHBondContact O-N 2.7Å; K422-K425 WeakPolarHBondContact O-CB 3.45Å; K422-K425 PolarHBondContact O-N 2.8Å; Q423-K425 VanDerWaalsContact C-N 3.35Å; Q423-K425 PolarHBondContact O-N 3.47Å; K425-V427 VanDerWaalsContact C-N 3.29Å; K425-V427 PolarHBondContact O-N 3.12Å; K425-F428 WeakPolarHBondContact O-CB 3.1Å; K425-F428 PolarHBondContact O-N 3.38Å; K425-F428 VanDerWaalsContact O-N 3.15Å; K425-E429 HydrophobicContact CG-CG 4.5Å; K425-E429 WeakPolarHBondContact O-CG 3.38Å; K425-E429 PolarHBondContact O-N 3.31Å
426D97.3Very high94.2Very high44 Ų4438.7 Ų38.724%0.23518%0.182CC..Hα-helixtrans-62.8-38179.7-65.2-19.8000110.7P65 K422 Q423 E429 R430P65-D426 HydrophobicContact CB-CB 4.4Å; P65-D426 HydrophobicContact CG-CB 4.14Å; K422-D426 VanDerWaalsContact NZ-CG 3.3Å; K422-D426 IonicContact NZ-OD1 2.95Å; K422-D426 PolarHBondContact NZ-OD1 3.13Å; K422-D426 IonicContact NZ-OD2 2.94Å; K422-D426 PolarHBondContact NZ-OD2 3.01Å; K422-D426 PolarHBondContact O-N 3.22Å; Q423-D426 PolarHBondContact O-N 3.17Å; D426-E429 PolarHBondContact O-N 3.23Å; D426-R430 WeakPolarHBondContact O-CB 3.37Å; D426-R430 PolarHBondContact O-N 3.26Å
427V97.6Very high94.7Very high0 Ų036 Ų360%017%0.168CC..Hα-helixtrans-61.7-48.5170.4167.40000111.8L50 H67 L187 Q423 L424 K425 E429 R430 D431L50-V427 HydrophobicContact CD2-CG2 3.74Å; H67-V427 WeakPolarHBondContact CD2-CG2 3.31Å; H67-V427 VanDerWaalsContact NE2-CG2 3.3Å; H67-V427 WeakPolarHBondContact NE2-CG2 3.46Å; L187-V427 HydrophobicContact CD1-CG1 3.87Å; Q423-V427 WeakPolarHBondContact O-CG2 3.27Å; Q423-V427 PolarHBondContact O-N 3.12Å; L424-V427 PolarHBondContact O-N 3.21Å; K425-V427 VanDerWaalsContact C-N 3.29Å; K425-V427 PolarHBondContact O-N 3.12Å; V427-E429 VanDerWaalsContact C-N 3.31Å; V427-E429 PolarHBondContact O-N 3.38Å; V427-R430 WeakPolarHBondContact O-CB 3.4Å; V427-R430 PolarHBondContact O-N 3.35Å; V427-D431 VanDerWaalsContact O-CG 3.27Å; V427-D431 PolarHBondContact O-N 2.57Å
428F98.3Very high95.1Very high0 Ų034.1 Ų34.10%015%0.154CC..Hα-helixtrans-57.3-46.3176.9-177.7-86.3000111.3Y279 I280 A281 R317 L319 Y380 V382 L424 K425 D431 W432Y279-F428 HydrophobicContact CD1-CE1 4.28Å; Y279-F428 AromaticContact CD2-CD1 3.4Å; Y279-F428 HydrophobicContact CD2-CD1 3.4Å; Y279-F428 VanDerWaalsContact CD2-CD1 3.4Å; Y279-F428 AromaticContact CD2-CE1 3.71Å; Y279-F428 HydrophobicContact CD2-CE1 3.71Å; Y279-F428 HydrophobicContact CD2-CG 4.11Å; Y279-F428 HydrophobicContact CE2-CD1 4.25Å; Y279-F428 HydrophobicContact CE2-CE1 4.47Å; Y279-F428 AromaticContact CG-CD1 3.73Å; Y279-F428 HydrophobicContact CG-CD1 3.73Å; Y279-F428 AromaticContact CG-CE1 3.62Å; Y279-F428 HydrophobicContact CG-CE1 3.62Å; Y279-F428 HydrophobicContact CG-CG 4.32Å; Y279-F428 HydrophobicContact CG-CZ 4.13Å; I280-F428 WeakPolarHBondContact O-CE2 3.49Å; A281-F428 HydrophobicContact CB-CD2 4.16Å; A281-F428 HydrophobicContact CB-CE2 4.25Å; R317-F428 HydrophobicContact CB-CE1 3.84Å; R317-F428 HydrophobicContact CB-CZ 3.72Å; L319-F428 HydrophobicContact CB-CE2 3.85Å; L319-F428 HydrophobicContact CB-CZ 4.15Å; Y380-F428 HydrophobicContact CE2-CB 4.19Å; Y380-F428 HydrophobicContact CE2-CD2 4.15Å; Y380-F428 WeakPolarHBondContact OH-CA 3.17Å; Y380-F428 WeakPolarHBondContact OH-CB 3.17Å; Y380-F428 PolarHBondContact OH-N 3.43Å; V382-F428 HydrophobicContact CG1-CB 4.43Å; L424-F428 PolarHBondContact O-N 3.26Å; K425-F428 WeakPolarHBondContact O-CB 3.1Å; K425-F428 PolarHBondContact O-N 3.38Å; K425-F428 VanDerWaalsContact O-N 3.15Å; F428-D431 PolarHBondContact O-N 2.91Å; F428-W432 HydrophobicContact CD1-CB 4.29Å; F428-W432 HydrophobicContact CE1-CB 4.07Å; F428-W432 HydrophobicContact CE1-CD2 4.05Å; F428-W432 AromaticContact CE1-CE3 3.73Å; F428-W432 HydrophobicContact CE1-CE3 3.73Å; F428-W432 HydrophobicContact CE1-CG 4.21Å; F428-W432 HydrophobicContact CE1-CZ3 4.5Å; F428-W432 HydrophobicContact CZ-CD2 4.37Å; F428-W432 AromaticContact CZ-CE3 3.59Å; F428-W432 HydrophobicContact CZ-CE3 3.59Å; F428-W432 HydrophobicContact CZ-CZ3 4.08Å; F428-W432 WeakPolarHBondContact O-CB 3.38Å; F428-W432 PolarHBondContact O-N 2.94Å
429E97.8Very high95.2Very high46 Ų4632.9 Ų32.922%0.21516%0.16CC..Hα-helixtrans-69.1-39.3-178.6-68.6-164.9129.700111.9Y279 R317 K425 D426 V427 D431 W432 Y433Y279-E429 HydrophobicContact CE2-CG 4.3Å; R317-E429 IonicContact NH1-OE1 2.8Å; R317-E429 PolarHBondContact NH1-OE1 2.94Å; K425-E429 HydrophobicContact CG-CG 4.5Å; K425-E429 WeakPolarHBondContact O-CG 3.38Å; K425-E429 PolarHBondContact O-N 3.31Å; D426-E429 PolarHBondContact O-N 3.23Å; V427-E429 VanDerWaalsContact C-N 3.31Å; V427-E429 PolarHBondContact O-N 3.38Å; E429-D431 VanDerWaalsContact C-N 3.31Å; E429-D431 PolarHBondContact O-N 3.41Å; E429-W432 PolarHBondContact O-N 2.96Å; E429-Y433 HydrophobicContact CB-CD2 4.1Å; E429-Y433 HydrophobicContact CB-CE2 4.1Å; E429-Y433 HydrophobicContact CG-CE2 4.33Å; E429-Y433 WeakPolarHBondContact O-CB 3.33Å; E429-Y433 WeakPolarHBondContact O-CD2 3.21Å; E429-Y433 PolarHBondContact O-N 2.89Å
430R97.1Very high94.3Very high19 Ų1934.3 Ų34.37%0.07217%0.168CC..Hα-helixtrans-53.1-50.5170.4-179.3-163.466.6-163.7-2.1110.9E52 Y60 A64 P65 D426 V427 S434E52-R430 IonicContact OE1-CZ 3.93Å; E52-R430 IonicContact OE1-NH1 3.73Å; E52-R430 PolarHBondContact OE1-NH1 3.49Å; E52-R430 IonicContact OE1-NH2 3.59Å; E52-R430 PolarHBondContact OE1-NH2 2.9Å; E52-R430 IonicContact OE2-CZ 3.49Å; E52-R430 IonicContact OE2-NH1 3.57Å; E52-R430 PolarHBondContact OE2-NH1 2.69Å; E52-R430 IonicContact OE2-NH2 2.75Å; E52-R430 PolarHBondContact OE2-NH2 3.39Å; Y60-R430 HydrophobicContact CD1-CG 3.66Å; Y60-R430 HydrophobicContact CE1-CG 3.82Å; Y60-R430 HydrophobicContact CG-CG 4.15Å; A64-R430 HydrophobicContact CB-CG 3.9Å; P65-R430 HydrophobicContact CG-CB 3.9Å; P65-R430 HydrophobicContact CG-CG 4.33Å; P65-R430 WeakPolarHBondContact O-CD 3.22Å; P65-R430 PolarHBondContact O-NH1 2.65Å; D426-R430 WeakPolarHBondContact O-CB 3.37Å; D426-R430 PolarHBondContact O-N 3.26Å; V427-R430 WeakPolarHBondContact O-CB 3.4Å; V427-R430 PolarHBondContact O-N 3.35Å; R430-S434 WeakPolarHBondContact O-CB 3.44Å; R430-S434 PolarHBondContact O-N 3.41Å; R430-S434 VanDerWaalsContact O-N 3.11Å
431D96.4Very high92.7Very high0 Ų040.6 Ų40.60%020%0.197CC..Hα-helixtrans-68.7-40.7-178.7-63.1-13.5000111.1Y60 K185 L319 F354 V427 F428 E429 Y433 S434 A437Y60-D431 PolarHBondContact OH-OD1 3.3Å; K185-D431 VanDerWaalsContact CE-CG 3.43Å; K185-D431 WeakPolarHBondContact CE-OD1 3.15Å; K185-D431 WeakPolarHBondContact CE-OD2 3.36Å; K185-D431 IonicContact NZ-OD1 3.38Å; K185-D431 IonicContact NZ-OD2 2.8Å; L319-D431 HydrophobicContact CD2-CB 3.82Å; F354-D431 HydrophobicContact CE2-CB 4.09Å; V427-D431 VanDerWaalsContact O-CG 3.27Å; V427-D431 PolarHBondContact O-N 2.57Å; F428-D431 PolarHBondContact O-N 2.91Å; E429-D431 VanDerWaalsContact C-N 3.31Å; E429-D431 PolarHBondContact O-N 3.41Å; D431-Y433 PolarHBondContact O-N 3.2Å; D431-S434 VanDerWaalsContact O-CB 3.28Å; D431-S434 WeakPolarHBondContact O-CB 3.49Å; D431-S434 PolarHBondContact O-N 2.96Å; D431-S434 PolarHBondContact O-OG 2.86Å; D431-A437 VanDerWaalsContact O-CB 3.24Å; D431-A437 WeakPolarHBondContact O-CB 3.39Å
432W97.3Very high90.5Very high9 Ų945.5 Ų45.53%0.03423%0.229CC..Hα-helixtrans-63.2-39.1179.8-178.3-93.3000113.8R317 L318 L319 K350 K352 F428 E429 A437R317-W432 HydrophobicContact CB-CE3 4.25Å; R317-W432 HydrophobicContact CB-CH2 3.84Å; R317-W432 HydrophobicContact CB-CZ2 4.3Å; R317-W432 HydrophobicContact CB-CZ3 3.81Å; R317-W432 HydrophobicContact CG-CH2 4.07Å; R317-W432 HydrophobicContact CG-CZ2 4.04Å; R317-W432 HydrophobicContact CG-CZ3 4.44Å; L318-W432 WeakPolarHBondContact O-CZ3 3.5Å; L319-W432 HydrophobicContact CB-CE3 4.23Å; L319-W432 HydrophobicContact CB-CZ3 4.38Å; L319-W432 HydrophobicContact CD1-CE3 4.22Å; K350-W432 HydrophobicContact CB-CH2 3.83Å; K350-W432 HydrophobicContact CB-CZ2 3.7Å; K352-W432 HydrophobicContact CB-CE3 4.29Å; K352-W432 HydrophobicContact CB-CH2 4.04Å; K352-W432 HydrophobicContact CB-CZ3 3.87Å; K352-W432 HydrophobicContact CD-CD2 3.96Å; K352-W432 HydrophobicContact CD-CE3 4.2Å; K352-W432 HydrophobicContact CD-CH2 4.16Å; K352-W432 HydrophobicContact CD-CZ2 3.92Å; K352-W432 HydrophobicContact CD-CZ3 4.3Å; K352-W432 HydrophobicContact CG-CE3 4.42Å; K352-W432 HydrophobicContact CG-CH2 3.73Å; K352-W432 HydrophobicContact CG-CZ2 3.87Å; K352-W432 HydrophobicContact CG-CZ3 4.02Å; K352-W432 PolarHBondContact NZ-O 3.36Å; F428-W432 HydrophobicContact CD1-CB 4.29Å; F428-W432 HydrophobicContact CE1-CB 4.07Å; F428-W432 HydrophobicContact CE1-CD2 4.05Å; F428-W432 AromaticContact CE1-CE3 3.73Å; F428-W432 HydrophobicContact CE1-CE3 3.73Å; F428-W432 HydrophobicContact CE1-CG 4.21Å; F428-W432 HydrophobicContact CE1-CZ3 4.5Å; F428-W432 HydrophobicContact CZ-CD2 4.37Å; F428-W432 AromaticContact CZ-CE3 3.59Å; F428-W432 HydrophobicContact CZ-CE3 3.59Å; F428-W432 HydrophobicContact CZ-CZ3 4.08Å; F428-W432 WeakPolarHBondContact O-CB 3.38Å; F428-W432 PolarHBondContact O-N 2.94Å; E429-W432 PolarHBondContact O-N 2.96Å; W432-A437 WeakPolarHBondContact O-CB 3.19Å
433Y95.9Very high88.1Confident147 Ų14749 Ų4958%0.57625%0.254SS*.Hα-helixtrans-91.6-3.6179.7-66.5-67000113.1R317 E429 D431R317-Y433 PolarHBondContact NH2-OH 2.89Å; R317-Y433 VanDerWaalsContact NH2-OH 3.16Å; E429-Y433 HydrophobicContact CB-CD2 4.1Å; E429-Y433 HydrophobicContact CB-CE2 4.1Å; E429-Y433 HydrophobicContact CG-CE2 4.33Å; E429-Y433 WeakPolarHBondContact O-CB 3.33Å; E429-Y433 WeakPolarHBondContact O-CD2 3.21Å; E429-Y433 PolarHBondContact O-N 2.89Å; D431-Y433 PolarHBondContact O-N 3.2Å
434S93.4Very high85.7Confident11 Ų1155.2 Ų55.28%0.07728%0.281CS..SBendtrans-64.1160.3176.479.10000113R430 D431 Y436 A437R430-S434 WeakPolarHBondContact O-CB 3.44Å; R430-S434 PolarHBondContact O-N 3.41Å; R430-S434 VanDerWaalsContact O-N 3.11Å; D431-S434 VanDerWaalsContact O-CB 3.28Å; D431-S434 WeakPolarHBondContact O-CB 3.49Å; D431-S434 PolarHBondContact O-N 2.96Å; D431-S434 PolarHBondContact O-OG 2.86Å; S434-Y436 PolarHBondContact O-N 3.45Å; S434-Y436 PolarHBondContact OG-N 2.77Å; S434-A437 PolarHBondContact O-N 2.93Å; S434-A437 PolarHBondContact OG-N 3.03Å
435P90.6Very high83.3Confident75 Ų7563.8 Ų63.849%0.48732%0.321SS..THydrogen-bonded Turntrans-63.4-19.3172.726.9-35.3000113K438P435-K438 WeakPolarHBondContact O-CE 3.26Å; P435-K438 PolarHBondContact O-NZ 3.39Å
436Y90.9Very high81.1Confident18 Ų1863.2 Ų63.27%0.07132%0.323CS..THydrogen-bonded Turntrans-80-21.1-177.5-49.1-69000113.1L58 N59 F354 D355 L356 S434L58-Y436 HydrophobicContact CD1-CD1 3.94Å; L58-Y436 HydrophobicContact CD1-CD2 3.5Å; L58-Y436 HydrophobicContact CD1-CE1 3.79Å; L58-Y436 HydrophobicContact CD1-CE2 3.33Å; L58-Y436 HydrophobicContact CD1-CG 3.8Å; L58-Y436 VanDerWaalsContact CD1-CZ 3.47Å; L58-Y436 HydrophobicContact CG-CD2 4.15Å; L58-Y436 HydrophobicContact CG-CE2 3.71Å; N59-Y436 PolarHBondContact N-OH 2.91Å; F354-Y436 WeakPolarHBondContact CA-O 3.08Å; F354-Y436 HydrophobicContact CZ-CD2 4.35Å; F354-Y436 HydrophobicContact CZ-CG 4.34Å; D355-Y436 PolarHBondContact N-O 2.72Å; L356-Y436 HydrophobicContact CD2-CD1 4.11Å; L356-Y436 HydrophobicContact CD2-CG 4.11Å; S434-Y436 PolarHBondContact O-N 3.45Å; S434-Y436 PolarHBondContact OG-N 2.77Å
437A94.4Very high78.8Confident4 Ų466 Ų663%0.03334%0.338CS..EExtended strand (participates in β ladder)trans-91.2105.7178.300000111.9L319 K352 F353 F354 D431 W432 S434L319-A437 HydrophobicContact CD1-CB 3.85Å; K352-A437 HydrophobicContact CB-CB 4.34Å; K352-A437 HydrophobicContact CD-CB 3.8Å; K352-A437 PolarHBondContact NZ-O 3.33Å; F353-A437 CarbonylContact O-C 3.42Å; F353-A437 WeakPolarHBondContact O-CA 3.49Å; F354-A437 HydrophobicContact CD2-CB 4.14Å; D431-A437 VanDerWaalsContact O-CB 3.24Å; D431-A437 WeakPolarHBondContact O-CB 3.39Å; W432-A437 WeakPolarHBondContact O-CB 3.19Å; S434-A437 PolarHBondContact O-N 2.93Å; S434-A437 PolarHBondContact OG-N 3.03Å
438K91.3Very high76.7Confident82 Ų8268.2 Ų68.236%0.35735%0.353SS..EExtended strand (participates in β ladder)trans-116.5150.6-175.7-59.2-54.9-162.4-156.70112.9K352 F353 P435 L440K352-K438 CarbonylContact C-O 3.51Å; K352-K438 WeakPolarHBondContact CA-O 3.41Å; F353-K438 PolarHBondContact N-O 2.91Å; F353-K438 PolarHBondContact O-N 3.21Å; P435-K438 WeakPolarHBondContact O-CE 3.26Å; P435-K438 PolarHBondContact O-NZ 3.39Å; K438-L440 HydrophobicContact CB-CD2 4.41Å; K438-L440 PolarHBondContact O-N 2.97Å
439T88.7Confident74.4Confident95 Ų9572.5 Ų72.558%0.58338%0.383SS*.  trans-83.8105.4162.1-53.90000107.6
440L74.3Confident72.3Confident31 Ų3173.5 Ų73.516%0.16240%0.395CS..  trans-78.2134.4177.1-64.8176.8000109.8F322 F331 F353 K438F322-L440 HydrophobicContact CB-CD1 3.92Å; F322-L440 HydrophobicContact CD1-CD1 3.74Å; F322-L440 HydrophobicContact CD2-CD1 3.67Å; F322-L440 HydrophobicContact CE1-CD1 4.14Å; F322-L440 HydrophobicContact CE2-CD1 4.09Å; F322-L440 HydrophobicContact CG-CD1 3.48Å; F322-L440 VanDerWaalsContact CG-CD1 3.48Å; F322-L440 HydrophobicContact CZ-CD1 4.3Å; F331-L440 HydrophobicContact CE1-CB 4.43Å; F331-L440 HydrophobicContact CE1-CD1 4.39Å; F353-L440 HydrophobicContact CB-CD1 3.43Å; F353-L440 VanDerWaalsContact CB-CD1 3.43Å; F353-L440 HydrophobicContact CB-CG 3.8Å; F353-L440 HydrophobicContact CD1-CD1 4.27Å; F353-L440 HydrophobicContact CD2-CB 3.89Å; F353-L440 HydrophobicContact CD2-CD1 3.86Å; F353-L440 HydrophobicContact CD2-CG 3.96Å; F353-L440 HydrophobicContact CE2-CB 4.46Å; F353-L440 HydrophobicContact CG-CB 4.48Å; F353-L440 HydrophobicContact CG-CD1 3.59Å; F353-L440 HydrophobicContact CG-CG 4.09Å; K438-L440 HydrophobicContact CB-CD2 4.41Å; K438-L440 PolarHBondContact O-N 2.97Å
441Q61.9Low70Confident132 Ų13274.5 Ų74.562%0.61740%0.401SS*.  trans-96.2140.1159.6-70.2-161.3-12.700108T443Q441-T443 PolarHBondContact O-N 2.93Å
442P51.4Low67.8Low103 Ų10381 Ų8167%0.66943%0.43SS*.THydrogen-bonded Turntrans-57.6-3.3-170.1-26.134.1000117.4
443T44.2Very low65.4Low122 Ų12289.1 Ų89.175%0.74847%0.466SS*.THydrogen-bonded Turntrans-135.33.7-164.245.80000116.7Q441Q441-T443 PolarHBondContact O-N 2.93Å
444K46.1Very low63.1Low165 Ų16588.7 Ų88.772%0.71747%0.472SS*.  trans-106.1103.3-179.2-76.8-177.6178175.20112.4
445Q47.3Very low60.4Low180 Ų18096.2 Ų96.284%0.84150%0.504SS*.  trans-52.7147161-82.2-178.4-18.800110.5N447Q445-N447 PolarHBondContact O-N 3.35Å
446P51.6Low57.8Low45 Ų4598 Ų9829%0.29252%0.516SS..  trans-64123.1177.824.6-31.6000111R358 A361 C448R358-P446 HydrophobicContact CG-CB 3.87Å; R358-P446 HydrophobicContact CG-CG 4.47Å; A361-P446 HydrophobicContact CB-CG 3.97Å; P446-C448 PolarHBondContact O-N 3.16Å; P446-C448 VanDerWaalsContact O-N 3.12Å
447N48.7Very low55.2Low103 Ų103102.8 Ų102.855%0.55155%0.548SS*.  trans-74.797.9174.1-170.8-9.8000109.8Q445 S449 S450Q445-N447 PolarHBondContact O-N 3.35Å; N447-S449 PolarHBondContact O-N 3.24Å; N447-S449 VanDerWaalsContact O-N 3.13Å; N447-S449 PolarHBondContact OD1-N 2.93Å; N447-S449 PolarHBondContact OD1-OG 2.99Å; N447-S450 PolarHBondContact O-N 3.05Å; N447-S450 PolarHBondContact O-OG 3.09Å
448C53.4Low52.4Low46 Ų46107.5 Ų107.531%0.31158%0.582SS.*Hα-helixtrans-57.9-25.8-174.8-740000114C362 P446 S450 L451 F452C362-C448 HydrophobicContact CB-CB 3.94Å; C362-C448 WeakPolarHBondContact CB-SG 3.48Å; C362-C448 WeakPolarHBondContact SG-CA 3.47Å; C362-C448 WeakPolarHBondContact SG-CB 3.46Å; C362-C448 CovalentContact SG-SG 2.05Å; C362-C448 PolarHBondContact SG-SG 3.29Å; P446-C448 PolarHBondContact O-N 3.16Å; P446-C448 VanDerWaalsContact O-N 3.12Å; C448-S450 PolarHBondContact O-N 2.79Å; C448-L451 PolarHBondContact O-N 2.83Å; C448-F452 HydrophobicContact CB-CE2 4.45Å; C448-F452 WeakPolarHBondContact O-CD2 3.43Å
449S50.3Low49.8Very low90 Ų90111 Ų11163%0.62960%0.604SS**Hα-helixtrans-65.7-22.3179.9-46.10000114N447N447-S449 PolarHBondContact O-N 3.24Å; N447-S449 VanDerWaalsContact O-N 3.13Å; N447-S449 PolarHBondContact OD1-N 2.93Å; N447-S449 PolarHBondContact OD1-OG 2.99Å
450S52.3Low47.2Very low66 Ų66115.8 Ų115.846%0.46262%0.617SS.*Hα-helixtrans-87.1-24.8-179.5630000113.9N447 C448N447-S450 PolarHBondContact O-N 3.05Å; N447-S450 PolarHBondContact O-OG 3.09Å; C448-S450 PolarHBondContact O-N 2.79Å
451L50.4Low45.2Very low40 Ų40120.6 Ų120.621%0.20965%0.647CS.*Hα-helixtrans-78.1-31.2-176.6-80151.3000112.5E359 C448 K453 L454E359-L451 HydrophobicContact CG-CD2 4.05Å; C448-L451 PolarHBondContact O-N 2.83Å; L451-K453 PolarHBondContact O-N 2.83Å; L451-L454 PolarHBondContact O-N 2.79Å
452F48.8Very low44.2Very low136 Ų136118.9 Ų118.960%0.59666%0.656SS**G310 helixtrans-67.3-12.9176.4-70.9-73.9000114.3C448 L454C448-F452 HydrophobicContact CB-CE2 4.45Å; C448-F452 WeakPolarHBondContact O-CD2 3.43Å; F452-L454 VanDerWaalsContact C-N 3.33Å
453K47.3Very low43.2Very low181 Ų181119.9 Ų119.979%0.78766%0.661SS**G310 helixtrans-81.4-8.4178-66.8-171.5178-173.90114.2L451L451-K453 PolarHBondContact O-N 2.83Å
454L47.1Very low42.6Very low138 Ų138121.3 Ų121.372%0.72366%0.664SS**G310 helixtrans-95.7-1.9-177.9-75.8162.1000114L451 F452L451-L454 PolarHBondContact O-N 2.79Å; F452-L454 VanDerWaalsContact C-N 3.33Å
455K38Very low42Very low168 Ų168121.8 Ų121.873%0.7367%0.674SS**SBendtrans-77.3127.2169.8-84.7-175.8174.7-179.20109.6
456P36.4Very low41.3Very low114 Ų114118.2 Ų118.274%0.7468%0.675SS**PPolyproline II helixtrans-60.1143.5166.3-12.525.7000108.9S458P456-S458 PolarHBondContact O-N 3.37Å
457P35.7Very low40.3Very low117 Ų117119.9 Ų119.976%0.7670%0.7SS**PPolyproline II helixtrans-60.4125.3173.524.5-30.1000108.6N459P457-N459 PolarHBondContact O-N 2.86Å; P457-N459 VanDerWaalsContact O-N 3.16Å
458S36.4Very low39.4Very low104 Ų104119 Ų11973%0.72772%0.715SS**PPolyproline II helixtrans-64116.1170.248.30000108.2P456 K460P456-S458 PolarHBondContact O-N 3.37Å; S458-K460 PolarHBondContact O-N 3.43Å
459N34.7Very low38.4Very low154 Ų154126 Ų12682%0.82474%0.741SS**  trans-59.9103.3169.2-85.2-13.1000108.5P457 T461P457-N459 PolarHBondContact O-N 2.86Å; P457-N459 VanDerWaalsContact O-N 3.16Å; N459-T461 PolarHBondContact O-N 3.16Å
460K35.3Very low37.7Very low197 Ų197128.6 Ų128.686%0.85775%0.747SS**  trans-78.295158.7-74.7-173.4177.1-175.90107.1S458S458-K460 PolarHBondContact O-N 3.43Å
461T32.6Very low37.5Very low131 Ų131130 Ų13080%0.80476%0.755SS**  trans-67.6130.916125.50000109.3N459N459-T461 PolarHBondContact O-N 3.16Å
462A39.3Very low36.5Very low97 Ų97138.6 Ų138.680%0.80278%0.784SS**  trans-81.2136.6175.900000111.2
463T32.3Very low35.8Very low124 Ų124138.6 Ų138.676%0.76179%0.791SS**  trans-165.6127.2161.438.90000103.3
464D30.8Very low35.1Very low152 Ų152140.2 Ų140.281%0.81382%0.815SS**  cis-152.9141.637.9-76.9-50.5000111.1
465D32.6Very low34.5Very low175 Ų175140.3 Ų140.394%0.93682%0.82SS**  trans-12897.9163.8-135.7-1.8000106.3
466A34.1Very low34.4Very low105 Ų105138.8 Ų138.887%0.86883%0.825SS**  trans-167.3104.8166.700000110.7
467G29.4Very low34.3Very low79 Ų79140.2 Ų140.281%0.81483%0.829SS**  trans-161.590.8169.300000110.3
468G29.8Very low34.2Very low84 Ų84141.6 Ų141.687%0.86683%0.833SS**  trans-65.2154.8-176.900000114.6
469K33.5Very low34Very low195 Ų195143.9 Ų143.985%0.84884%0.84SS**  trans-63.4152.3176-62.9174.2168.4177.40113.2
470D34.3Very low34Very low143 Ų143143.3 Ų143.377%0.76584%0.841SS**  169.4170.9106.4-101.2-3.2000111.1
471P49.2Very low33.9Very low95 Ų95139.4 Ų139.462%0.61784%0.84SS**  -135.1-168.8-87.6270.7000114
472W30Very low34Very low221 Ų221140.1 Ų140.184%0.83784%0.843SS**  trans81.2113.4164.1-6366.7000119.9
473N32.5Very low33.6Very low137 Ų137143.7 Ų143.773%0.73385%0.846SS**  175.3131.193.4-101.4-24.8000113.2
474V34.2Very low33.7Very low214 Ų214145.5 Ų145.5100%1.29785%0.854SS**  trans66.50166.1-164.50000118.8

Retrieved 474 of 474 residues in 89.9 ms (Link to these results)

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