A0A087Y3P5_POEFO Loading...

Synaptotagmin 3

AlphaFold DB , UniProt , Accession A0A087Y3P5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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
1M43Very low57.1Low240 Ų240121.7 Ų121.7100%1.18265%0.646SS**  097.50-69.6164.965.400107.5
2S48.8Very low58.7Low100 Ų100120.8 Ų120.870%0.69963%0.632SS**  trans-177.943.9177.756.50000110.6
3G46.9Very low59.8Low55 Ų55115.5 Ų115.557%0.56762%0.616SS**SBendtrans-102.2-32.9178.900000113W5G3-W5 VanDerWaalsContact C-N 3.3Å; G3-W5 PolarHBondContact O-N 3.19Å
4D47.2Very low61Low122 Ų122112.6 Ų112.665%0.65260%0.6SS**Hα-helixtrans-72.8-19.8-169.1-46.8-77.3000113.9D6 E7 D8D4-D6 PolarHBondContact O-N 3.47Å; D4-E7 WeakPolarHBondContact O-CB 3.39Å; D4-E7 PolarHBondContact O-N 3.22Å; D4-D8 WeakPolarHBondContact O-CB 3.46Å; D4-D8 PolarHBondContact O-N 3.43Å
5W50.9Low62.1Low197 Ų197110.3 Ų110.375%0.74659%0.592SS**Hα-helixtrans-62.6-40.4-171.2-69.1107.8000113.9G3 L9G3-W5 VanDerWaalsContact C-N 3.3Å; G3-W5 PolarHBondContact O-N 3.19Å; W5-L9 WeakPolarHBondContact O-CB 3.48Å; W5-L9 PolarHBondContact O-N 3.12Å
6D55.8Low62.9Low130 Ų130109.8 Ų109.870%0.69559%0.589SS**Hα-helixtrans-76.9-36.6178.7-69.8-45.4000112.2D4 D8 L9 C10D4-D6 PolarHBondContact O-N 3.47Å; D6-D8 VanDerWaalsContact C-N 3.35Å; D6-L9 PolarHBondContact O-N 3.22Å; D6-C10 WeakPolarHBondContact O-CB 3.24Å; D6-C10 PolarHBondContact O-N 3.41Å
7E59.5Low63.5Low116 Ų116108.2 Ų108.254%0.54258%0.579SS.*Hα-helixtrans-57.4-46.9170.5-86.1-91.3133.200111.1D4 C10 K11D4-E7 WeakPolarHBondContact O-CB 3.39Å; D4-E7 PolarHBondContact O-N 3.22Å; E7-C10 PolarHBondContact O-N 2.97Å; E7-K11 WeakPolarHBondContact O-CB 3.38Å; E7-K11 WeakPolarHBondContact O-CD 3.36Å; E7-K11 VanDerWaalsContact O-CG 3.26Å; E7-K11 WeakPolarHBondContact O-CG 3.3Å; E7-K11 PolarHBondContact O-N 2.89Å; E7-K11 WeakPolarHBondContact OE2-CE 3.39Å; E7-K11 IonicContact OE2-NZ 2.73Å; E7-K11 PolarHBondContact OE2-NZ 2.83Å
8D66.6Low64Low68 Ų68108.1 Ų108.136%0.36458%0.575SS.*Hα-helixtrans-67.8-35.8178.8-120.136.6000112.3D4 D6 K12D4-D8 WeakPolarHBondContact O-CB 3.46Å; D4-D8 PolarHBondContact O-N 3.43Å; D6-D8 VanDerWaalsContact C-N 3.35Å; D8-K12 WeakPolarHBondContact O-CB 3.18Å; D8-K12 VanDerWaalsContact O-CD 3.26Å; D8-K12 WeakPolarHBondContact O-CD 3.47Å; D8-K12 WeakPolarHBondContact O-CG 3.3Å; D8-K12 PolarHBondContact O-N 2.87Å; D8-K12 VanDerWaalsContact O-N 3.07Å; D8-K12 WeakPolarHBondContact OD2-CE 3.46Å; D8-K12 IonicContact OD2-NZ 3.51Å; D8-K12 PolarHBondContact OD2-NZ 3.5Å
9L69.8Low64.5Low122 Ų122108.1 Ų108.164%0.63957%0.571SS**Hα-helixtrans-67-44.4175.4-138.378000111.1W5 D6 K12 A13W5-L9 WeakPolarHBondContact O-CB 3.48Å; W5-L9 PolarHBondContact O-N 3.12Å; D6-L9 PolarHBondContact O-N 3.22Å; L9-K12 PolarHBondContact O-N 3.26Å; L9-A13 WeakPolarHBondContact O-CB 3.27Å; L9-A13 PolarHBondContact O-N 2.84Å
10C69.1Low64.9Low81 Ų81108.7 Ų108.755%0.54757%0.574SS.*Hα-helixtrans-62.5-46.6177.9-168.90000111.2D6 E7 K12 A13 L14D6-C10 WeakPolarHBondContact O-CB 3.24Å; D6-C10 PolarHBondContact O-N 3.41Å; E7-C10 PolarHBondContact O-N 2.97Å; C10-K12 PolarHBondContact O-N 2.95Å; C10-A13 PolarHBondContact O-N 3.21Å; C10-L14 PolarHBondContact O-N 3.32Å
11K70.5Confident65.1Low108 Ų108104.5 Ų104.547%0.4755%0.554SS.*Hα-helixtrans-59.3-46.7176.2-72.3163-168.1164.10112E7 A13 L14 T15E7-K11 WeakPolarHBondContact O-CB 3.38Å; E7-K11 WeakPolarHBondContact O-CD 3.36Å; E7-K11 VanDerWaalsContact O-CG 3.26Å; E7-K11 WeakPolarHBondContact O-CG 3.3Å; E7-K11 PolarHBondContact O-N 2.89Å; E7-K11 WeakPolarHBondContact OE2-CE 3.39Å; E7-K11 IonicContact OE2-NZ 2.73Å; E7-K11 PolarHBondContact OE2-NZ 2.83Å; K11-A13 PolarHBondContact O-N 2.82Å; K11-L14 WeakPolarHBondContact O-CB 3.21Å; K11-L14 PolarHBondContact O-N 3.49Å; K11-L14 VanDerWaalsContact O-N 3.14Å; K11-T15 PolarHBondContact O-N 3.42Å; K11-T15 PolarHBondContact O-OG1 2.71Å; K11-T15 VanDerWaalsContact O-OG1 3.14Å
12K76Confident66.3Low111 Ų11199 Ų9948%0.48352%0.523SS..Hα-helixtrans-63.2-38.6177.7-71.9162.1-165.4157.90112.6D8 L9 C10 L14 L16D8-K12 WeakPolarHBondContact O-CB 3.18Å; D8-K12 VanDerWaalsContact O-CD 3.26Å; D8-K12 WeakPolarHBondContact O-CD 3.47Å; D8-K12 WeakPolarHBondContact O-CG 3.3Å; D8-K12 PolarHBondContact O-N 2.87Å; D8-K12 VanDerWaalsContact O-N 3.07Å; D8-K12 WeakPolarHBondContact OD2-CE 3.46Å; D8-K12 IonicContact OD2-NZ 3.51Å; D8-K12 PolarHBondContact OD2-NZ 3.5Å; L9-K12 PolarHBondContact O-N 3.26Å; C10-K12 PolarHBondContact O-N 2.95Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L16 WeakPolarHBondContact O-CG 3.47Å; K12-L16 PolarHBondContact O-N 3.48Å; K12-L16 VanDerWaalsContact O-N 3.09Å
13A73.4Confident67.1Low51 Ų51100.2 Ų100.242%0.42152%0.522SS..Hα-helixtrans-64.6-37.3173.600000112.4L9 C10 K11 L16 L17L9-A13 WeakPolarHBondContact O-CB 3.27Å; L9-A13 PolarHBondContact O-N 2.84Å; C10-A13 PolarHBondContact O-N 3.21Å; K11-A13 PolarHBondContact O-N 2.82Å; A13-L16 PolarHBondContact O-N 2.87Å; A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 3.48Å
14L77.1Confident67.3Low76 Ų76100.6 Ų100.640%0.39852%0.516SS..Hα-helixtrans-68.7-41.6177.8-132.6144.1000111.9C10 K11 K12 L17 E18 F37 V41C10-L14 PolarHBondContact O-N 3.32Å; K11-L14 WeakPolarHBondContact O-CB 3.21Å; K11-L14 PolarHBondContact O-N 3.49Å; K11-L14 VanDerWaalsContact O-N 3.14Å; K12-L14 VanDerWaalsContact C-N 3.33Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-E18 PolarHBondContact O-N 2.87Å; L14-F37 HydrophobicContact CD2-CZ 3.86Å; L14-F37 HydrophobicContact CG-CZ 4.24Å; L14-V41 HydrophobicContact CD2-CG2 4.49Å
15T77Confident67.8Low78 Ų78103.2 Ų103.248%0.47952%0.524SS..Hα-helixtrans-62.3-42173-50.50000112.1K11 L17 E18 E19K11-T15 PolarHBondContact O-N 3.42Å; K11-T15 PolarHBondContact O-OG1 2.71Å; K11-T15 VanDerWaalsContact O-OG1 3.14Å; T15-L17 PolarHBondContact O-N 2.96Å; T15-E18 PolarHBondContact O-N 3.45Å; T15-E19 PolarHBondContact O-N 3.34Å
16L75.4Confident67.9Low102 Ų102105.4 Ų105.453%0.53453%0.532SS..Hα-helixtrans-63.3-38.9175.8-76.1167.6000112.6K12 A13 E18 L20K12-L16 WeakPolarHBondContact O-CG 3.47Å; K12-L16 PolarHBondContact O-N 3.48Å; K12-L16 VanDerWaalsContact O-N 3.09Å; A13-L16 PolarHBondContact O-N 2.87Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CD1 3.33Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 2.94Å
17L71.8Confident67.7Low82 Ų82105 Ų10543%0.42953%0.534SS..Hα-helixtrans-64.1-37.9173.4-79.4164.2000112.2A13 L14 T15 C21 F37A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 2.85Å; T15-L17 PolarHBondContact O-N 2.96Å; L17-C21 WeakPolarHBondContact O-CB 3.46Å; L17-C21 PolarHBondContact O-N 2.78Å; L17-F37 HydrophobicContact CB-CE1 4.14Å; L17-F37 HydrophobicContact CB-CZ 3.94Å; L17-F37 HydrophobicContact CD1-CE2 4.27Å; L17-F37 HydrophobicContact CD1-CZ 4.35Å
18E73.3Confident67.3Low107 Ų107106.7 Ų106.750%0.554%0.536SS..Hα-helixtrans-66.2-47.6176-163.3171.1-166.400111.6L14 T15 L16 L20 C21 F22L14-E18 PolarHBondContact O-N 2.87Å; T15-E18 PolarHBondContact O-N 3.45Å; L16-E18 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.04Å; E18-C21 PolarHBondContact O-N 2.88Å; E18-F22 HydrophobicContact CG-CD2 3.75Å; E18-F22 HydrophobicContact CG-CE2 4.21Å; E18-F22 WeakPolarHBondContact O-CB 3.33Å; E18-F22 VanDerWaalsContact O-CD2 3.31Å; E18-F22 WeakPolarHBondContact O-CD2 3.23Å; E18-F22 PolarHBondContact O-N 3.35Å
19E72.6Confident66.6Low107 Ų107107.5 Ų107.550%0.555%0.548SS..Hα-helixtrans-60-43.4175.2-71.1-162.1123.900112.5T15 N23T15-E19 PolarHBondContact O-N 3.34Å; E19-N23 WeakPolarHBondContact O-CA 3.45Å; E19-N23 VanDerWaalsContact O-CB 3.24Å; E19-N23 WeakPolarHBondContact O-CB 3.31Å; E19-N23 PolarHBondContact O-N 3.01Å
20L72.5Confident65.8Low120 Ų120110.2 Ų110.263%0.62856%0.557SS**Hα-helixtrans-65.1-40.7179.7-74.2168.6000112.8L16 E18L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CD1 3.33Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 2.94Å; E18-L20 PolarHBondContact O-N 3.04Å
21C70.3Confident65.6Low22 Ų22108.2 Ų108.215%0.14954%0.544CS..Hα-helixtrans-79.5-29.6-179.8-80.50000114L17 E18 C34L17-C21 WeakPolarHBondContact O-CB 3.46Å; L17-C21 PolarHBondContact O-N 2.78Å; E18-C21 PolarHBondContact O-N 2.88Å; C21-C34 VanDerWaalsContact CA-SG 3.56Å; C21-C34 HydrophobicContact CB-CB 3.75Å; C21-C34 WeakPolarHBondContact CB-SG 3.14Å; C21-C34 VanDerWaalsContact SG-CA 3.56Å; C21-C34 WeakPolarHBondContact SG-CB 3.38Å; C21-C34 CovalentContact SG-SG 2.05Å; C21-C34 PolarHBondContact SG-SG 3.14Å
22F68.1Low65Low123 Ų123111 Ų11154%0.53956%0.556SS.*Hα-helixtrans-114.7-24-171.1-63.2-70.2000115.9E18E18-F22 HydrophobicContact CG-CD2 3.75Å; E18-F22 HydrophobicContact CG-CE2 4.21Å; E18-F22 WeakPolarHBondContact O-CB 3.33Å; E18-F22 VanDerWaalsContact O-CD2 3.31Å; E18-F22 WeakPolarHBondContact O-CD2 3.23Å; E18-F22 PolarHBondContact O-N 3.35Å
23N65.4Low64.5Low127 Ų127113.1 Ų113.168%0.67957%0.567SS**THydrogen-bonded Turntrans-103.6-10.5-172.6-143.26000113.8E19E19-N23 WeakPolarHBondContact O-CA 3.45Å; E19-N23 VanDerWaalsContact O-CB 3.24Å; E19-N23 WeakPolarHBondContact O-CB 3.31Å; E19-N23 PolarHBondContact O-N 3.01Å
24S52.1Low64.3Low62 Ų62111.7 Ų111.743%0.43455%0.554SS.*SBendtrans-76.2134.4178.1-172.10000112.7R26S24-R26 PolarHBondContact O-N 2.72Å
25Q56Low63.6Low178 Ų178113.3 Ų113.383%0.83256%0.56SS**  trans-63.198-171.2-70.5-178.9-49.400113.6V27Q25-V27 PolarHBondContact O-N 3.29Å
26R53.8Low63.1Low243 Ų243116.1 Ų116.192%0.91757%0.567SS**SBendtrans56.3-14.4162.1-77.9-172.4173.3-178-1.3119.8S24S24-R26 PolarHBondContact O-N 2.72Å
27V52.1Low62.8Low120 Ų120113.5 Ų113.573%0.72755%0.552SS**SBendtrans-86.5-34.1-173.7-179.30000113.1Q25Q25-V27 PolarHBondContact O-N 3.29Å
28Y51.5Low62.3Low152 Ų152111.3 Ų111.360%0.59654%0.544SS*.SBendtrans-94.6-7-174.2-77.1-83.1000115.6Q30 S31Y28-Q30 PolarHBondContact O-N 3.24Å; Y28-S31 PolarHBondContact O-N 2.98Å
29S50.8Low61.7Low86 Ų86115 Ų11560%0.60155%0.554SS**THydrogen-bonded Turntrans-62.2-9.4-173.8-176.90000115.4
30Q53.8Low61.2Low179 Ų179115.8 Ų115.884%0.83656%0.561SS**THydrogen-bonded Turntrans-106.26.5176.7-68-172.3-14.800114.7Y28 K32Y28-Q30 PolarHBondContact O-N 3.24Å; Q30-K32 PolarHBondContact O-N 3.48Å
31S63.5Low60.7Low38 Ų38112.4 Ų112.427%0.26655%0.545SS..  trans-67.3124172.1-178.40000111.1Y28 Q33 C34 Q35Y28-S31 PolarHBondContact O-N 2.98Å; S31-Q33 PolarHBondContact O-N 2.86Å; S31-Q33 VanDerWaalsContact O-N 3.15Å; S31-Q33 PolarHBondContact OG-N 2.92Å; S31-C34 PolarHBondContact O-N 2.92Å; S31-C34 VanDerWaalsContact O-N 3.15Å; S31-Q35 PolarHBondContact O-N 3.45Å
32K59Low60.1Low167 Ų167120.5 Ų120.573%0.72657%0.573SS**Hα-helixtrans-53-34.5174.1-77.9-171.4172.5-173.20112.5Q30 C34 Q35 E36Q30-K32 PolarHBondContact O-N 3.48Å; K32-C34 PolarHBondContact O-N 3.42Å; K32-Q35 WeakPolarHBondContact O-CB 3.28Å; K32-Q35 PolarHBondContact O-N 3.35Å; K32-Q35 VanDerWaalsContact O-N 3.13Å; K32-E36 PolarHBondContact O-N 2.92Å
33Q66.1Low59.3Low155 Ų155116.5 Ų116.572%0.72457%0.566SS**Hα-helixtrans-65.3-39.5-178.4-68.1168.3-34.900112S31 Q35 F37S31-Q33 PolarHBondContact O-N 2.86Å; S31-Q33 VanDerWaalsContact O-N 3.15Å; S31-Q33 PolarHBondContact OG-N 2.92Å; Q33-Q35 VanDerWaalsContact C-N 3.32Å; Q33-Q35 PolarHBondContact O-N 2.96Å; Q33-F37 WeakPolarHBondContact O-CB 3.47Å; Q33-F37 PolarHBondContact O-N 3.38Å
34C68.5Low58.6Low22 Ų22116.5 Ų116.515%0.14956%0.562CS.*Hα-helixtrans-68.7-30.4173.1-720000112.3C21 S31 K32 S38C21-C34 VanDerWaalsContact CA-SG 3.56Å; C21-C34 HydrophobicContact CB-CB 3.75Å; C21-C34 WeakPolarHBondContact CB-SG 3.14Å; C21-C34 VanDerWaalsContact SG-CA 3.56Å; C21-C34 WeakPolarHBondContact SG-CB 3.38Å; C21-C34 CovalentContact SG-SG 2.05Å; C21-C34 PolarHBondContact SG-SG 3.14Å; S31-C34 PolarHBondContact O-N 2.92Å; S31-C34 VanDerWaalsContact O-N 3.15Å; K32-C34 PolarHBondContact O-N 3.42Å; C34-S38 WeakPolarHBondContact O-CB 3.38Å; C34-S38 PolarHBondContact O-N 2.73Å; C34-S38 VanDerWaalsContact O-N 3.09Å
35Q63.2Low58.3Low110 Ų110119 Ų11951%0.51457%0.57SS.*Hα-helixtrans-70.6-45.6174.8-69.2-172-17.700112.1S31 K32 Q33 F37 S38 Y39S31-Q35 PolarHBondContact O-N 3.45Å; K32-Q35 WeakPolarHBondContact O-CB 3.28Å; K32-Q35 PolarHBondContact O-N 3.35Å; K32-Q35 VanDerWaalsContact O-N 3.13Å; Q33-Q35 VanDerWaalsContact C-N 3.32Å; Q33-Q35 PolarHBondContact O-N 2.96Å; Q35-F37 PolarHBondContact O-N 2.89Å; Q35-S38 WeakPolarHBondContact O-CB 3.27Å; Q35-S38 PolarHBondContact O-N 2.91Å; Q35-Y39 WeakPolarHBondContact O-CD2 3.45Å; Q35-Y39 PolarHBondContact O-N 3.1Å; Q35-Y39 VanDerWaalsContact O-N 3.12Å
36E65.2Low57.7Low136 Ų136120.3 Ų120.364%0.63657%0.568SS**Hα-helixtrans-63.7-39.6175.5-71.3-169.3159.100112.2K32 S38 Y39 L40K32-E36 PolarHBondContact O-N 2.92Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.42Å; E36-Y39 PolarHBondContact O-N 2.74Å; E36-L40 PolarHBondContact O-N 3.22Å
37F69.6Low57.2Low47 Ų47114.1 Ų114.121%0.20655%0.549CS..Hα-helixtrans-58.7-42.6172.5-174.4-108.5000112.2L14 L17 Q33 Q35 Y39 L40 V41L14-F37 HydrophobicContact CD2-CZ 3.86Å; L14-F37 HydrophobicContact CG-CZ 4.24Å; L17-F37 HydrophobicContact CB-CE1 4.14Å; L17-F37 HydrophobicContact CB-CZ 3.94Å; L17-F37 HydrophobicContact CD1-CE2 4.27Å; L17-F37 HydrophobicContact CD1-CZ 4.35Å; Q33-F37 WeakPolarHBondContact O-CB 3.47Å; Q33-F37 PolarHBondContact O-N 3.38Å; Q35-F37 PolarHBondContact O-N 2.89Å; F37-Y39 VanDerWaalsContact C-N 3.33Å; F37-Y39 PolarHBondContact O-N 2.96Å; F37-L40 PolarHBondContact O-N 3.35Å; F37-V41 HydrophobicContact CD1-CG2 4.35Å; F37-V41 HydrophobicContact CD2-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4Å; F37-V41 HydrophobicContact CE2-CG2 4.03Å; F37-V41 HydrophobicContact CZ-CG2 3.84Å; F37-V41 WeakPolarHBondContact O-CG2 3.37Å; F37-V41 PolarHBondContact O-N 3.46Å
38S61Low57Low37 Ų37112 Ų11226%0.25953%0.534SS..Hα-helixtrans-61.9-37.8175.9-167.80000113C34 Q35 E36 R42C34-S38 WeakPolarHBondContact O-CB 3.38Å; C34-S38 PolarHBondContact O-N 2.73Å; C34-S38 VanDerWaalsContact O-N 3.09Å; Q35-S38 WeakPolarHBondContact O-CB 3.27Å; Q35-S38 PolarHBondContact O-N 2.91Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.42Å; S38-R42 WeakPolarHBondContact O-CB 3.41Å; S38-R42 PolarHBondContact O-N 3.48Å
39Y61Low56.9Low184 Ų184110.8 Ų110.872%0.72254%0.537SS*.Hα-helixtrans-68.8-43.1173.9-84.4-73.4000112.5Q35 E36 F37 R42 G43Q35-Y39 WeakPolarHBondContact O-CD2 3.45Å; Q35-Y39 PolarHBondContact O-N 3.1Å; Q35-Y39 VanDerWaalsContact O-N 3.12Å; E36-Y39 PolarHBondContact O-N 2.74Å; F37-Y39 VanDerWaalsContact C-N 3.33Å; F37-Y39 PolarHBondContact O-N 2.96Å; Y39-R42 PolarHBondContact O-N 3.49Å; Y39-G43 PolarHBondContact O-N 3.14Å
40L62Low56.7Low123 Ų123110.9 Ų110.964%0.64453%0.534SS*.Hα-helixtrans-60.4-49.7177.9-80163000112.1E36 F37 R42 G43 H44E36-L40 PolarHBondContact O-N 3.22Å; F37-L40 PolarHBondContact O-N 3.35Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 2.94Å; L40-G43 PolarHBondContact O-N 2.96Å; L40-H44 PolarHBondContact O-N 3.03Å
41V62.2Low56.5Low49 Ų49107.8 Ų107.830%0.29752%0.52SS..Hα-helixtrans-64.8-37.5-179.8176.60000111.5L14 F37 N45L14-V41 HydrophobicContact CD2-CG2 4.49Å; F37-V41 HydrophobicContact CD1-CG2 4.35Å; F37-V41 HydrophobicContact CD2-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4Å; F37-V41 HydrophobicContact CE2-CG2 4.03Å; F37-V41 HydrophobicContact CZ-CG2 3.84Å; F37-V41 WeakPolarHBondContact O-CG2 3.37Å; F37-V41 PolarHBondContact O-N 3.46Å; V41-N45 PolarHBondContact O-N 2.9Å
42R57.9Low56.2Low193 Ų193110.9 Ų110.973%0.72853%0.532SS*.Hα-helixtrans-70.4-29.3174.4-82.8-175.9166.8-177-1.6114.2S38 Y39 L40S38-R42 WeakPolarHBondContact O-CB 3.41Å; S38-R42 PolarHBondContact O-N 3.48Å; Y39-R42 PolarHBondContact O-N 3.49Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 2.94Å
43G50.3Low56.1Low38 Ų38105.7 Ų105.739%0.39252%0.517SS..Hα-helixtrans-71.2-52.9174.500000111.7Y39 L40 N45 R46Y39-G43 PolarHBondContact O-N 3.14Å; L40-G43 PolarHBondContact O-N 2.96Å; G43-N45 PolarHBondContact O-N 3.33Å; G43-R46 PolarHBondContact O-N 3.02Å; G43-R46 VanDerWaalsContact O-N 3.16Å
44H50.5Low55.8Low127 Ų127102.8 Ų102.859%0.58851%0.509SS*.Hα-helixtrans-59.6-46.8-172-153.555.7000112.6L40 R46 Q47 L48L40-H44 PolarHBondContact O-N 3.03Å; H44-R46 PolarHBondContact O-N 3.06Å; H44-R46 VanDerWaalsContact O-N 3.14Å; H44-Q47 PolarHBondContact O-N 2.83Å; H44-L48 PolarHBondContact O-N 2.93Å
45N45.7Very low55.9Low116 Ų116105.1 Ų105.162%0.6253%0.526SS*.Hα-helixtrans-69.3-5.1-179.6-88.9-25.6000115.4V41 G43V41-N45 PolarHBondContact O-N 2.9Å; G43-N45 PolarHBondContact O-N 3.33Å
46R44.3Very low56.4Low205 Ų205105 Ų10577%0.77453%0.529SS*.Hα-helixtrans-101.6-20.8173.3-68.2-171.471.2169.42.2113.5G43 H44 T50G43-R46 PolarHBondContact O-N 3.02Å; G43-R46 VanDerWaalsContact O-N 3.16Å; H44-R46 PolarHBondContact O-N 3.06Å; H44-R46 VanDerWaalsContact O-N 3.14Å; R46-T50 PolarHBondContact O-OG1 3.34Å
47Q43Very low56.7Low112 Ų112103.9 Ų103.952%0.52353%0.526SS..Hα-helixtrans-96.6-40.8-171.3-162.1160.2-400112.6H44 T50 E51H44-Q47 PolarHBondContact O-N 2.83Å; Q47-T50 PolarHBondContact O-N 2.79Å; Q47-E51 HydrophobicContact CG-CG 4.16Å; Q47-E51 VanDerWaalsContact CG-OE1 3.24Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.46Å; Q47-E51 PolarHBondContact NE2-OE1 2.8Å; Q47-E51 WeakPolarHBondContact O-CB 3.41Å; Q47-E51 PolarHBondContact O-N 3.13Å
48L48.9Very low57.2Low77 Ų77104.8 Ų104.840%0.40354%0.539SS..Hα-helixtrans-57.2-56.8-178.5-87.9164.9000113.8H44 T50 E51 I52H44-L48 PolarHBondContact O-N 2.93Å; L48-T50 VanDerWaalsContact C-N 3.25Å; L48-T50 PolarHBondContact O-N 3.41Å; L48-E51 PolarHBondContact O-N 2.9Å; L48-I52 HydrophobicContact CD2-CD1 3.87Å; L48-I52 WeakPolarHBondContact O-CB 3.41Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 2.92Å; L48-I52 VanDerWaalsContact O-N 3.1Å
49D48.2Very low58.3Low126 Ų126107.2 Ų107.267%0.67455%0.551SS**Hα-helixtrans-62.4-32.6-177.1-72.2-27000113S53D49-S53 WeakPolarHBondContact O-CB 3.48Å; D49-S53 PolarHBondContact O-N 3.41Å; D49-S53 PolarHBondContact O-OG 3.1Å
50T47.8Very low59.6Low87 Ų87102.8 Ų102.853%0.53454%0.54SS..Hα-helixtrans-81.7-39.5-175-45.30000111.7R46 Q47 L48 S53 V54R46-T50 PolarHBondContact O-OG1 3.34Å; Q47-T50 PolarHBondContact O-N 2.79Å; L48-T50 VanDerWaalsContact C-N 3.25Å; L48-T50 PolarHBondContact O-N 3.41Å; T50-S53 PolarHBondContact O-OG 3.23Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.3Å; T50-V54 PolarHBondContact O-N 2.71Å
51E48.8Very low61Low114 Ų114101.8 Ų101.853%0.53354%0.538SS..Hα-helixtrans-77.6-38.7179.5-70.6-176.9-178.700112.6Q47 L48 S55Q47-E51 HydrophobicContact CG-CG 4.16Å; Q47-E51 VanDerWaalsContact CG-OE1 3.24Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.46Å; Q47-E51 PolarHBondContact NE2-OE1 2.8Å; Q47-E51 WeakPolarHBondContact O-CB 3.41Å; Q47-E51 PolarHBondContact O-N 3.13Å; L48-E51 PolarHBondContact O-N 2.9Å; E51-S55 WeakPolarHBondContact O-CB 3.4Å; E51-S55 PolarHBondContact O-N 3.01Å
52I57.3Low62.2Low104 Ų104103.1 Ų103.153%0.53355%0.547SS..Hα-helixtrans-64-44.6179.2-67.8171000110.9L48 L56L48-I52 HydrophobicContact CD2-CD1 3.87Å; L48-I52 WeakPolarHBondContact O-CB 3.41Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 2.92Å; L48-I52 VanDerWaalsContact O-N 3.1Å; I52-L56 VanDerWaalsContact O-CB 3.3Å; I52-L56 WeakPolarHBondContact O-CB 3.2Å; I52-L56 PolarHBondContact O-N 3.39Å
53S57.5Low63.8Low58 Ų58101 Ų10141%0.40654%0.543SS..Hα-helixtrans-66.2-44.3-178.854.50000112.7D49 T50 L57D49-S53 WeakPolarHBondContact O-CB 3.48Å; D49-S53 PolarHBondContact O-N 3.41Å; D49-S53 PolarHBondContact O-OG 3.1Å; T50-S53 PolarHBondContact O-OG 3.23Å; S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 WeakPolarHBondContact O-CG 3.37Å; S53-L57 PolarHBondContact O-N 3.27Å; S53-L57 VanDerWaalsContact O-N 3.14Å
54V59.1Low65.8Low93 Ų93102.2 Ų102.256%0.56455%0.545SS*.Hα-helixtrans-67.9-41.6176.8173.70000111.7T50 L57 S58T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.3Å; T50-V54 PolarHBondContact O-N 2.71Å; V54-L57 PolarHBondContact O-N 3.49Å; V54-S58 WeakPolarHBondContact O-CB 3.32Å; V54-S58 PolarHBondContact O-N 3.3Å
55S70.2Confident67.9Low72 Ų7297.9 Ų97.950%0.50353%0.534SS..Hα-helixtrans-65.2-45.2178.9-171.40000111.8E51 L57 S58 V59E51-S55 WeakPolarHBondContact O-CB 3.4Å; E51-S55 PolarHBondContact O-N 3.01Å; S55-L57 PolarHBondContact O-N 3.5Å; S55-S58 WeakPolarHBondContact O-CB 3.5Å; S55-S58 PolarHBondContact O-N 2.62Å; S55-V59 WeakPolarHBondContact O-CG2 3.23Å; S55-V59 PolarHBondContact O-N 3.35Å
56L74.3Confident70.2Confident108 Ų10897.9 Ų97.957%0.56553%0.533SS*.Hα-helixtrans-61.9-44177.2-16779.1000111.8I52 S58 V59 I60I52-L56 VanDerWaalsContact O-CB 3.3Å; I52-L56 WeakPolarHBondContact O-CB 3.2Å; I52-L56 PolarHBondContact O-N 3.39Å; L56-S58 VanDerWaalsContact C-N 3.35Å; L56-S58 PolarHBondContact O-N 2.9Å; L56-V59 PolarHBondContact O-N 3.39Å; L56-I60 HydrophobicContact CD2-CD1 4.23Å; L56-I60 HydrophobicContact CG-CD1 3.91Å; L56-I60 WeakPolarHBondContact O-CB 3.27Å; L56-I60 VanDerWaalsContact O-CG1 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 2.62Å
57L72Confident72.5Confident111 Ų11191.1 Ų91.158%0.58152%0.515SS*.Hα-helixtrans-61.9-41.8175.5-77.1168.6000111.9S53 V54 S55 I60 V61S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 WeakPolarHBondContact O-CG 3.37Å; S53-L57 PolarHBondContact O-N 3.27Å; S53-L57 VanDerWaalsContact O-N 3.14Å; V54-L57 PolarHBondContact O-N 3.49Å; S55-L57 PolarHBondContact O-N 3.5Å; L57-I60 PolarHBondContact O-N 2.66Å; L57-V61 WeakPolarHBondContact O-CB 3.25Å; L57-V61 VanDerWaalsContact O-CG2 3.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.28Å; L57-V61 PolarHBondContact O-N 3.2Å
58S79.6Confident75Confident67 Ų6791.3 Ų91.347%0.46952%0.518SS..Hα-helixtrans-61.1-45.5175.7-172.30000112.2V54 S55 L56 V61 T62V54-S58 WeakPolarHBondContact O-CB 3.32Å; V54-S58 PolarHBondContact O-N 3.3Å; S55-S58 WeakPolarHBondContact O-CB 3.5Å; S55-S58 PolarHBondContact O-N 2.62Å; L56-S58 VanDerWaalsContact C-N 3.35Å; L56-S58 PolarHBondContact O-N 2.9Å; S58-V61 PolarHBondContact O-N 3.43Å; S58-T62 WeakPolarHBondContact O-CB 3.38Å; S58-T62 WeakPolarHBondContact O-CG2 3.46Å; S58-T62 PolarHBondContact O-N 3.04Å; S58-T62 PolarHBondContact O-OG1 3.28Å
59V84.3Confident77.1Confident87 Ų8792.7 Ų92.753%0.52753%0.526SS..Hα-helixtrans-64.1-42.3176.5172.40000111.7S55 L56 T62 F63S55-V59 WeakPolarHBondContact O-CG2 3.23Å; S55-V59 PolarHBondContact O-N 3.35Å; L56-V59 PolarHBondContact O-N 3.39Å; V59-T62 WeakPolarHBondContact CA-OG1 3.35Å; V59-T62 PolarHBondContact O-OG1 3.06Å; V59-T62 VanDerWaalsContact O-OG1 3.14Å; V59-F63 VanDerWaalsContact O-CB 3.23Å; V59-F63 WeakPolarHBondContact O-CB 3.42Å; V59-F63 PolarHBondContact O-N 2.76Å
60I88.3Confident79.2Confident92 Ų9289.7 Ų89.747%0.47252%0.515SS..Hα-helixtrans-65.3-45.4177.6-70.1166.9000111L56 L57 C64L56-I60 HydrophobicContact CD2-CD1 4.23Å; L56-I60 HydrophobicContact CG-CD1 3.91Å; L56-I60 WeakPolarHBondContact O-CB 3.27Å; L56-I60 VanDerWaalsContact O-CG1 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 2.62Å; L57-I60 PolarHBondContact O-N 2.66Å; I60-C64 WeakPolarHBondContact O-CB 3.14Å; I60-C64 PolarHBondContact O-N 3.17Å
61V90.3Very high81.4Confident101 Ų10189.5 Ų89.561%0.61251%0.513SS*.Hα-helixtrans-66.9-42.4-179.8169.70000111.5L57 S58 G65L57-V61 WeakPolarHBondContact O-CB 3.25Å; L57-V61 VanDerWaalsContact O-CG2 3.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.28Å; L57-V61 PolarHBondContact O-N 3.2Å; S58-V61 PolarHBondContact O-N 3.43Å; V61-G65 PolarHBondContact O-N 3.03Å
62T87.6Confident83.4Confident78 Ų7887.3 Ų87.348%0.47951%0.51SS..Hα-helixtrans-67.4-44.3177.449.20000112.2S58 V59 G65 I66S58-T62 WeakPolarHBondContact O-CB 3.38Å; S58-T62 WeakPolarHBondContact O-CG2 3.46Å; S58-T62 PolarHBondContact O-N 3.04Å; S58-T62 PolarHBondContact O-OG1 3.28Å; V59-T62 WeakPolarHBondContact CA-OG1 3.35Å; V59-T62 PolarHBondContact O-OG1 3.06Å; V59-T62 VanDerWaalsContact O-OG1 3.14Å; T62-G65 PolarHBondContact O-N 3.22Å; T62-I66 WeakPolarHBondContact O-CG1 3.44Å; T62-I66 PolarHBondContact O-N 3.25Å
63F92.4Very high85.1Confident147 Ų14787.6 Ų87.665%0.64551%0.513SS*.Hα-helixtrans-62.7-47.9176-175.1-97.3000112V59 G65 I66 V67V59-F63 VanDerWaalsContact O-CB 3.23Å; V59-F63 WeakPolarHBondContact O-CB 3.42Å; V59-F63 PolarHBondContact O-N 2.76Å; F63-G65 VanDerWaalsContact C-N 3.31Å; F63-G65 PolarHBondContact O-N 3.34Å; F63-I66 PolarHBondContact O-N 2.84Å; F63-V67 HydrophobicContact CD1-CG2 4.29Å; F63-V67 HydrophobicContact CE1-CG2 3.95Å; F63-V67 HydrophobicContact CZ-CG2 4.2Å; F63-V67 WeakPolarHBondContact O-CG2 3.31Å; F63-V67 PolarHBondContact O-N 2.79Å
64C92.1Very high86.6Confident64 Ų6491.6 Ų91.643%0.43252%0.523SS..Hα-helixtrans-61.7-40.3176.6-168.90000111.6I60 I66 V67 L68I60-C64 WeakPolarHBondContact O-CB 3.14Å; I60-C64 PolarHBondContact O-N 3.17Å; C64-I66 PolarHBondContact O-N 3.39Å; C64-V67 PolarHBondContact O-N 3Å; C64-L68 WeakPolarHBondContact O-CB 3.29Å; C64-L68 WeakPolarHBondContact O-CG 3.31Å; C64-L68 PolarHBondContact O-N 2.69Å
65G94.2Very high88Confident36 Ų3690.6 Ų90.637%0.37152%0.517SS..Hα-helixtrans-57.7-46.7173.400000112.9V61 T62 F63 L68 L69V61-G65 PolarHBondContact O-N 3.03Å; T62-G65 PolarHBondContact O-N 3.22Å; F63-G65 VanDerWaalsContact C-N 3.31Å; F63-G65 PolarHBondContact O-N 3.34Å; G65-L68 PolarHBondContact O-N 3.2Å; G65-L69 VanDerWaalsContact O-CB 3.31Å; G65-L69 WeakPolarHBondContact O-CB 3.12Å; G65-L69 PolarHBondContact O-N 3.08Å
66I93.9Very high88.8Confident116 Ų11689.9 Ų89.960%0.59551%0.512SS*.Hα-helixtrans-64.7-39.9177.7-67.7162.8000111.4T62 F63 C64 L69 S70T62-I66 WeakPolarHBondContact O-CG1 3.44Å; T62-I66 PolarHBondContact O-N 3.25Å; F63-I66 PolarHBondContact O-N 2.84Å; C64-I66 PolarHBondContact O-N 3.39Å; I66-L69 PolarHBondContact O-N 3.17Å; I66-S70 WeakPolarHBondContact O-CB 3.28Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 2.83Å
67V93.6Very high89.1Confident64 Ų6493.2 Ų93.239%0.38852%0.517SS..Hα-helixtrans-64.6-44.5175.6173.10000110.9F63 C64 S70 V71F63-V67 HydrophobicContact CD1-CG2 4.29Å; F63-V67 HydrophobicContact CE1-CG2 3.95Å; F63-V67 HydrophobicContact CZ-CG2 4.2Å; F63-V67 WeakPolarHBondContact O-CG2 3.31Å; F63-V67 PolarHBondContact O-N 2.79Å; C64-V67 PolarHBondContact O-N 3Å; V67-S70 WeakPolarHBondContact CA-OG 3.4Å; V67-S70 PolarHBondContact O-N 3.02Å; V67-S70 PolarHBondContact O-OG 2.89Å; V67-V71 WeakPolarHBondContact O-CB 3.22Å; V67-V71 VanDerWaalsContact O-CG2 3.3Å; V67-V71 WeakPolarHBondContact O-CG2 3.47Å; V67-V71 PolarHBondContact O-N 2.96Å
68L94.1Very high89.6Confident115 Ų11594.6 Ų94.660%0.60252%0.518SS*.Hα-helixtrans-66.7-37.9177.1-70.4171.7000112.5C64 G65 S72C64-L68 WeakPolarHBondContact O-CB 3.29Å; C64-L68 WeakPolarHBondContact O-CG 3.31Å; C64-L68 PolarHBondContact O-N 2.69Å; G65-L68 PolarHBondContact O-N 3.2Å; L68-S72 WeakPolarHBondContact O-CB 3.39Å; L68-S72 PolarHBondContact O-N 2.87Å
69L93.9Very high89.3Confident106 Ų10696.6 Ų96.656%0.55552%0.523SS*.Hα-helixtrans-67.8-43177.6-147.5175.2000111.1G65 I66 S72 L73G65-L69 VanDerWaalsContact O-CB 3.31Å; G65-L69 WeakPolarHBondContact O-CB 3.12Å; G65-L69 PolarHBondContact O-N 3.08Å; I66-L69 PolarHBondContact O-N 3.17Å; L69-S72 PolarHBondContact O-N 2.87Å; L69-L73 HydrophobicContact CD2-CD1 3.57Å; L69-L73 HydrophobicContact CD2-CG 3.85Å; L69-L73 WeakPolarHBondContact O-CB 3.47Å; L69-L73 WeakPolarHBondContact O-CG 3.4Å; L69-L73 PolarHBondContact O-N 2.93Å
70S92.9Very high88.4Confident64 Ų6497.1 Ų97.145%0.44853%0.53SS..Hα-helixtrans-68.1-39.1176.250.40000113.1I66 V67 L73 F74I66-S70 WeakPolarHBondContact O-CB 3.28Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 2.83Å; V67-S70 WeakPolarHBondContact CA-OG 3.4Å; V67-S70 PolarHBondContact O-N 3.02Å; V67-S70 PolarHBondContact O-OG 2.89Å; S70-L73 PolarHBondContact O-N 3.35Å; S70-F74 WeakPolarHBondContact O-CB 3.5Å; S70-F74 PolarHBondContact O-N 2.88Å
71V93.5Very high86.9Confident82 Ų82101.7 Ų101.750%0.49754%0.541SS..Hα-helixtrans-64-42.8170.7171.10000111.2V67 L73 F74 V75V67-V71 WeakPolarHBondContact O-CB 3.22Å; V67-V71 VanDerWaalsContact O-CG2 3.3Å; V67-V71 WeakPolarHBondContact O-CG2 3.47Å; V67-V71 PolarHBondContact O-N 2.96Å; V71-L73 PolarHBondContact O-N 3.35Å; V71-F74 PolarHBondContact O-N 3.19Å; V71-V75 HydrophobicContact CG1-CG2 4.34Å; V71-V75 WeakPolarHBondContact O-CB 3.37Å; V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 3.11Å
72S91Very high85.3Confident68 Ų68103 Ų10348%0.47654%0.544SS..Hα-helixtrans-62.2-42.7177-176.20000112.1L68 L69 S76L68-S72 WeakPolarHBondContact O-CB 3.39Å; L68-S72 PolarHBondContact O-N 2.87Å; L69-S72 PolarHBondContact O-N 2.87Å; S72-S76 WeakPolarHBondContact O-CB 3.13Å; S72-S76 PolarHBondContact O-N 3Å; S72-S76 PolarHBondContact O-OG 2.64Å
73L92Very high83.5Confident111 Ų111104.1 Ų104.158%0.58155%0.552SS**Hα-helixtrans-64.3-41.8173.6-74.7170.9000112L69 S70 V71 S76 W77L69-L73 HydrophobicContact CD2-CD1 3.57Å; L69-L73 HydrophobicContact CD2-CG 3.85Å; L69-L73 WeakPolarHBondContact O-CB 3.47Å; L69-L73 WeakPolarHBondContact O-CG 3.4Å; L69-L73 PolarHBondContact O-N 2.93Å; S70-L73 PolarHBondContact O-N 3.35Å; V71-L73 PolarHBondContact O-N 3.35Å; L73-S76 PolarHBondContact O-N 2.76Å; L73-W77 VanDerWaalsContact O-CB 3.24Å; L73-W77 WeakPolarHBondContact O-CB 3.46Å; L73-W77 PolarHBondContact O-N 2.69Å
74F89Confident81.4Confident141 Ų141108.6 Ų108.662%0.61857%0.565SS**Hα-helixtrans-65.8-41.8177.9-175.6-100.4000112.4S70 V71 K78S70-F74 WeakPolarHBondContact O-CB 3.5Å; S70-F74 PolarHBondContact O-N 2.88Å; V71-F74 PolarHBondContact O-N 3.19Å; F74-K78 WeakPolarHBondContact O-CB 3.38Å; F74-K78 PolarHBondContact O-N 3.06Å
75V88.6Confident79.2Confident72 Ų72115.2 Ų115.244%0.43658%0.581SS.*Hα-helixtrans-67.4-43.5174.6171.30000110.7V71 W77 K78 L79V71-V75 HydrophobicContact CG1-CG2 4.34Å; V71-V75 WeakPolarHBondContact O-CB 3.37Å; V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 3.11Å; V75-W77 PolarHBondContact O-N 3.04Å; V75-K78 PolarHBondContact O-N 3.02Å; V75-L79 HydrophobicContact CG1-CD1 3.68Å; V75-L79 HydrophobicContact CG1-CG 4.17Å; V75-L79 WeakPolarHBondContact O-CB 3.17Å; V75-L79 VanDerWaalsContact O-CG 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.43Å; V75-L79 PolarHBondContact O-N 2.95Å
76S86.4Confident77.1Confident57 Ų57120.1 Ų120.140%0.39960%0.599SS.*Hα-helixtrans-62.5-43.3177-600000111.6S72 L73 L79 C80S72-S76 WeakPolarHBondContact O-CB 3.13Å; S72-S76 PolarHBondContact O-N 3Å; S72-S76 PolarHBondContact O-OG 2.64Å; L73-S76 PolarHBondContact O-N 2.76Å; S76-L79 PolarHBondContact O-N 2.75Å; S76-C80 VanDerWaalsContact O-CB 3.27Å; S76-C80 WeakPolarHBondContact O-CB 3.33Å; S76-C80 PolarHBondContact O-N 3Å; S76-C80 PolarHBondContact O-SG 3.25Å; S76-C80 VanDerWaalsContact O-SG 3.32Å
77W82Confident74.6Confident179 Ų179124.4 Ų124.468%0.67861%0.613SS**Hα-helixtrans-56.9-51.1171.8-178.9-74.4000110.8L73 V75 L79 W81L73-W77 VanDerWaalsContact O-CB 3.24Å; L73-W77 WeakPolarHBondContact O-CB 3.46Å; L73-W77 PolarHBondContact O-N 2.69Å; V75-W77 PolarHBondContact O-N 3.04Å; W77-L79 VanDerWaalsContact C-N 3.34Å; W77-L79 PolarHBondContact O-N 3.39Å; W77-W81 AromaticContact CD1-CD1 3.89Å; W77-W81 AromaticContact CE2-NE1 3.73Å; W77-W81 AromaticContact CZ2-NE1 3.97Å; W77-W81 AromaticContact NE1-CD1 3.7Å; W77-W81 AromaticContact NE1-NE1 3.58Å; W77-W81 VanDerWaalsContact O-CD1 3.28Å; W77-W81 PolarHBondContact O-N 3.16Å
78K82.4Confident72Confident139 Ų139130.9 Ų130.960%0.60464%0.639SS**Hα-helixtrans-67.7-31.1-177.2-160.3179.2-176.6-174.60113.3F74 V75 L82F74-K78 WeakPolarHBondContact O-CB 3.38Å; F74-K78 PolarHBondContact O-N 3.06Å; V75-K78 PolarHBondContact O-N 3.02Å; K78-L82 WeakPolarHBondContact O-CG 3.37Å
79L72.4Confident69.2Low110 Ų110129.2 Ų129.258%0.57665%0.65SS**Hα-helixtrans-79.4-42.2176.8-69.8176.1000112.4V75 S76 W77 W81 L82V75-L79 HydrophobicContact CG1-CD1 3.68Å; V75-L79 HydrophobicContact CG1-CG 4.17Å; V75-L79 WeakPolarHBondContact O-CB 3.17Å; V75-L79 VanDerWaalsContact O-CG 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.43Å; V75-L79 PolarHBondContact O-N 2.95Å; S76-L79 PolarHBondContact O-N 2.75Å; W77-L79 VanDerWaalsContact C-N 3.34Å; W77-L79 PolarHBondContact O-N 3.39Å; L79-W81 PolarHBondContact O-N 3.14Å; L79-L82 HydrophobicContact CD2-CD1 4.42Å; L79-L82 PolarHBondContact O-N 3.45Å; L79-L82 VanDerWaalsContact O-N 3.12Å
80C66.1Low66.3Low98 Ų98128.2 Ų128.266%0.66267%0.665SS**Hα-helixtrans-65.5-18.6176.2-71.80000113.5S76 P83S76-C80 VanDerWaalsContact O-CB 3.27Å; S76-C80 WeakPolarHBondContact O-CB 3.33Å; S76-C80 PolarHBondContact O-N 3Å; S76-C80 PolarHBondContact O-SG 3.25Å; S76-C80 VanDerWaalsContact O-SG 3.32Å; C80-P83 WeakPolarHBondContact O-CD 3.34Å
81W55.5Low63.5Low188 Ų188128.6 Ų128.671%0.71268%0.679SS**THydrogen-bonded Turntrans-80.3-11.6173.4-96.581.6000115W77 L79W77-W81 AromaticContact CD1-CD1 3.89Å; W77-W81 AromaticContact CE2-NE1 3.73Å; W77-W81 AromaticContact CZ2-NE1 3.97Å; W77-W81 AromaticContact NE1-CD1 3.7Å; W77-W81 AromaticContact NE1-NE1 3.58Å; W77-W81 VanDerWaalsContact O-CD1 3.28Å; W77-W81 PolarHBondContact O-N 3.16Å; L79-W81 PolarHBondContact O-N 3.14Å
82L57.6Low60.5Low128 Ų128133 Ų13367%0.6770%0.699SS**SBendtrans-89.6-21.5-172-75.3167.6000118.2K78 L79K78-L82 WeakPolarHBondContact O-CG 3.37Å; L79-L82 HydrophobicContact CD2-CD1 4.42Å; L79-L82 PolarHBondContact O-N 3.45Å; L79-L82 VanDerWaalsContact O-N 3.12Å
83P50.9Low57.8Low101 Ų101134.7 Ų134.766%0.65671%0.711SS**SBendtrans-95.46.7-177.337.1-35.6000114.8C80C80-P83 WeakPolarHBondContact O-CD 3.34Å
84W46.4Very low55Low241 Ų241137.3 Ų137.391%0.91373%0.725SS**SBendtrans-122.914.7-175-107.866.9000115.5
85R47.8Very low52.5Low203 Ų203135.8 Ų135.877%0.76673%0.727SS**SBendtrans-129.488.8165.1-144.8-162.487.9149.56.6111
86D50Low49.8Very low139 Ų139138 Ų13874%0.74375%0.745SS**  trans161.796.8137.2-77.7-5000108.8
87K41.1Very low47.2Very low206 Ų206138.6 Ų138.690%0.89676%0.76SS**  trans-152.862.4170.9-158.9173.2-178.6171.80114.7
88E38.2Very low44.8Very low201 Ų201138.5 Ų138.594%0.93977%0.772SS**  trans-134.7146.8156.5-65.8-166.2151.100108.9
89G35.3Very low42.6Very low80 Ų80139.3 Ų139.383%0.82578%0.783SS**SBendtrans114.128.515900000122.1
90G33.5Very low41.4Very low84 Ų84140 Ų14087%0.86679%0.794SS**  trans72.5178.516500000116.6
91G32.8Very low39.8Very low72 Ų72138.4 Ų138.474%0.74279%0.793SS**  cis-177.9168.3-6.300000112.6
92L32.2Very low38.7Very low174 Ų174136.3 Ų136.391%0.91180%0.802SS**  trans69.4109.7173-55.7178.9000119.6
93S32.8Very low37.6Very low104 Ų104135.4 Ų135.473%0.72781%0.813SS**  trans26.9125130.7-166.30000121.1
94L33.4Very low36.6Very low167 Ų167133.6 Ų133.687%0.87481%0.813SS**  -154.3173.3120.5-111.9169.2000111.7
95T37.3Very low36.1Very low109 Ų109131.2 Ų131.267%0.66982%0.817SS**  trans-103173.6-158.754.20000115.2
96S32.1Very low35.3Very low117 Ų117125.2 Ų125.282%0.81882%0.818SS**  trans75.7130.5171.5-48.20000114.8
97G32.1Very low34.4Very low70 Ų70122.6 Ų122.672%0.72282%0.824SS**  cis104.5100.7-2.400000113.5
98L31.5Very low34Very low177 Ų177117.8 Ų117.893%0.92782%0.823SS**  trans-168.3117157.9-105.6164.5000110.5
99L34.9Very low33.7Very low157 Ų157113 Ų11382%0.82282%0.817SS**  trans-92.1172.5152.4-79.8173.2000107.2
100P47Very low33.5Very low124 Ų124112.5 Ų112.581%0.80581%0.813SS**  cis-149.9177.62743.6-23.4000119.1
101G33.2Very low34.3Very low64 Ų64114.2 Ų114.266%0.6681%0.809SS**  trans91.5152.4149.400000117.5
102T32.3Very low34.3Very low144 Ų144116.8 Ų116.888%0.88382%0.815SS**  cis-161.8159.1-8220000110.5
103A35Very low34.4Very low110 Ų110116.4 Ų116.491%0.90981%0.813SS**  trans69.5150.4171.400000117.3
104G29.3Very low34.6Very low63 Ų63119 Ų11965%0.64982%0.818SS**  cis157.6146.1-1000000113.4
105L35.9Very low35.6Very low190 Ų190116.5 Ų116.5100%0.99581%0.812SS**  trans71.8140.9179.9-52.7146.7000115.4
106G31.3Very low36.5Very low78 Ų78116 Ų11680%0.80481%0.81SS**  cis161.9124.5-15.100000115.2
107G30.4Very low36.6Very low84 Ų84117.3 Ų117.387%0.86681%0.808SS**  trans75.5155.2168.200000116.9
108A33Very low36.9Very low104 Ų104120.8 Ų120.886%0.8681%0.809SS**  cis-155.2-173.2-6.900000111
109A32.5Very low37.2Very low100 Ų100119.3 Ų119.383%0.82680%0.797SS**  trans-59.8162.8-179.800000114
110G31.2Very low37.1Very low71 Ų71120.2 Ų120.273%0.73279%0.79SS**  cis91.2154.723.900000111.8
111P50.4Low36.3Very low120 Ų120122.3 Ų122.378%0.77979%0.786SS**  cis-125.4-173.2-3.843.3-28.4000113.9
112S33.5Very low36.4Very low126 Ų126125.2 Ų125.288%0.88178%0.782SS**  trans-132.6151.3162.9-820000111.5
113L34.2Very low36.5Very low165 Ų165121.5 Ų121.586%0.86477%0.773SS**  trans-110.7143.4-161.5-70.4161.8000114.6
114L36.7Very low36.5Very low158 Ų158124.4 Ų124.483%0.82777%0.767SS**  trans-97.8-175.2150.5-57.3174.7000107.4
115P54.7Low36.9Very low115 Ų115126 Ų12675%0.74777%0.768SS**  cis-132.9-132.3138.1-13.4000109.4
116P56Low37.1Very low99 Ų99121.8 Ų121.864%0.64376%0.755SS**  cis-136.2159.9-24.932.3-11.8000117.9
117L34.2Very low37.4Very low145 Ų145123.6 Ų123.676%0.75976%0.755SS**  trans46.8143.6133.6-56.6172.8000121.7
118L38.7Very low37.6Very low143 Ų143124.3 Ų124.375%0.74975%0.747SS**  -156135.266.4-83.1167.1000110.9
119Q37.5Very low37.5Very low145 Ų145127.5 Ų127.568%0.67875%0.749SS**  63.1148.288.9-74-165.36.400116.4
120R32.3Very low37.4Very low177 Ų177132.8 Ų132.867%0.66875%0.749SS**  cis-176.1146.8-14.4-178.7174178.4176.40.9107.1E122R120-E122 IonicContact CZ-OE1 3.68Å; R120-E122 IonicContact NE-OE1 3.15Å; R120-E122 PolarHBondContact NE-OE1 3.38Å; R120-E122 IonicContact NH2-OE1 2.72Å; R120-E122 PolarHBondContact NH2-OE1 3.43Å; R120-E122 IonicContact NH2-OE2 3.16Å
121K29.9Very low38.3Very low168 Ų168135.6 Ų135.673%0.7375%0.754SS**  158.4121.397.8-168.6163-175.3-1770109.9
122E34.9Very low37.4Very low124 Ų124134.3 Ų134.358%0.57975%0.748SS**  53.313998-48.9153.1-160.300116.7R120R120-E122 IonicContact CZ-OE1 3.68Å; R120-E122 IonicContact NE-OE1 3.15Å; R120-E122 PolarHBondContact NE-OE1 3.38Å; R120-E122 IonicContact NH2-OE1 2.72Å; R120-E122 PolarHBondContact NH2-OE1 3.43Å; R120-E122 IonicContact NH2-OE2 3.16Å
123G35.2Very low37.5Very low66 Ų66136.4 Ų136.468%0.6875%0.748SS**  cis-135.1-135.80.800000112
124H35.8Very low37.2Very low171 Ų171131.8 Ų131.879%0.79274%0.741SS**  cis-164.3138.1-3.7-104.7-63.7000109.5
125S37.1Very low36.8Very low96 Ų96132.2 Ų132.267%0.67174%0.738SS**  66.1135.8103.7-59.10000118.6
126S39Very low35.6Very low102 Ų102135.3 Ų135.371%0.71374%0.743SS**  cis-171169.2-1.9-89.70000114
127S37.4Very low34.2Very low117 Ų117134.1 Ų134.182%0.81875%0.749SS**  trans69.1155.7154.664.80000120.6
128S34.3Very low34.2Very low99 Ų99136.6 Ų136.669%0.69276%0.756SS**  cis-174.6149.3-20.952.80000109.5
129L31.1Very low34.4Very low170 Ų170135.9 Ų135.989%0.8976%0.76SS**  170.1173.892.2-106.4170.1000112
130Y31.6Very low34.3Very low211 Ų211136.7 Ų136.783%0.82776%0.763SS**  trans-114.8161179.5-107.6-73.7000112.2
131P49.2Very low33.9Very low131 Ų131137.4 Ų137.485%0.85177%0.772SS**  -144.7-170.192.837.4-18.7000115.2
132S32.8Very low34Very low93 Ų93132.4 Ų132.465%0.6576%0.758SS**  trans-153.8150.9-168.6172.50000112.6
133L34.1Very low33.9Very low169 Ų169133.5 Ų133.589%0.88577%0.768SS**  162.6158.6128.8-102.4128.1000115.2
134G27.6Very low33.6Very low68 Ų68138.4 Ų138.470%0.70178%0.777SS**  trans101.7101.7172.300000113.7
135Q29.3Very low33.5Very low167 Ų167136.7 Ų136.778%0.7878%0.779SS**  cis104131.525.3-157.6-159.958.400112.7
136Q29.4Very low33.1Very low181 Ų181135.6 Ų135.685%0.84678%0.782SS**  trans72.2142.8-179.6-44.6-177.614.200114.6
137G27.2Very low32.8Very low74 Ų74138.2 Ų138.276%0.76379%0.787SS**  cis175131.5-10.600000112
138H33.3Very low32.5Very low196 Ų196140.8 Ų140.891%0.90779%0.787SS**  trans-94154.8169.8-69.1-71.8000110.2
139P42.5Very low32.5Very low128 Ų128147.3 Ų147.383%0.83180%0.796SS**  -140.2172.491.438.5-24.7000115.9
140H35.1Very low32.3Very low163 Ų163143 Ų14376%0.75579%0.792SS**  trans-67.3161174.7-148.5-100000112.6S142H140-S142 PolarHBondContact CE1-OG 2.98Å; H140-S142 PolarHBondContact ND1-OG 2.91Å
141F26Very low32.4Very low192 Ų192142.9 Ų142.984%0.84280%0.799SS**  trans-136143.5151.9-166.3-99.8000109.6
142S31.1Very low31.4Very low62 Ų62140.7 Ų140.743%0.43480%0.801SS.*  trans-123.8148.5-179.6-57.40000110H140H140-S142 PolarHBondContact CE1-OG 2.98Å; H140-S142 PolarHBondContact ND1-OG 2.91Å
143D32Very low31.3Very low148 Ų148140.5 Ų140.579%0.79181%0.813SS**  trans33.5118.6153.4-50.4-38.7000119.6
144L29.6Very low31.1Very low169 Ų169135.7 Ų135.789%0.88581%0.805SS**  -147.3136.7126.2-145.676.5000112.2
145V33.3Very low31.3Very low135 Ų135139 Ų13982%0.81881%0.811SS**  trans-97.4135.2166.2177.40000108.1
146G28.5Very low31.5Very low72 Ų72138 Ų13874%0.74282%0.816SS**  trans-148.4128.5174.800000111.6
147L33.6Very low31.6Very low157 Ų157132.8 Ų132.882%0.82281%0.811SS**  trans-90.3147.2169.1-7383.9000109.1
148E30.7Very low31.5Very low172 Ų172133 Ų13380%0.80481%0.813SS**  -177.8172.3115-99.3-8349.100112
149R33.3Very low32.4Very low236 Ų236129.1 Ų129.189%0.89181%0.805SS**  trans-78.5160.3-178.4-67.4154144.8175.1-9.9114.1
150G28.6Very low31.9Very low79 Ų79130.6 Ų130.681%0.81481%0.806SS**  trans-166.8141.4162.600000112
151E32.8Very low31.7Very low208 Ų208131 Ų13197%0.97281%0.808SS**  trans-106.4161.3-176-64.5167.589.300112.5
152G29.4Very low32Very low86 Ų86128.6 Ų128.689%0.88781%0.809SS**  trans147139.7165.300000114.6
153G28.8Very low31.8Very low88 Ų88134.6 Ų134.691%0.90783%0.831SS**  trans-149.3173.8179.700000114.3
154G30.1Very low31.6Very low69 Ų69134.6 Ų134.671%0.71183%0.826SS**  trans148.889.6-177.100000111.2
155V33.4Very low31.6Very low138 Ų138133.8 Ų133.884%0.83682%0.817SS**  82.5140.666.8-176.20000113.3
156V33.4Very low31.3Very low146 Ų146132 Ų13289%0.88581%0.811SS**  trans76.2130.8-177.9-161.30000115.4
157G30.2Very low31.3Very low71 Ų71138.2 Ų138.273%0.73281%0.813SS**  cis176163.9-6.500000112.9
158G26.5Very low31.2Very low78 Ų78137.7 Ų137.780%0.80481%0.811SS**  trans-97.9-156.6167.100000111.8
159P52.3Low31.2Very low115 Ų115137.1 Ų137.175%0.74781%0.813SS**  cis-134.2172.21.741.7-26.1000115
160N31.6Very low31.1Very low158 Ų158132.9 Ų132.985%0.84581%0.805SS**  -179.7147.5117.6-101.5-2.4000112.6
161E31.3Very low31.1Very low173 Ų173135.4 Ų135.481%0.80880%0.8SS**  trans-94.8158.2171.3-60.316799.500110.4
162T31.4Very low31Very low140 Ų140131.1 Ų131.186%0.85979%0.793SS**  176.7151.9106290000114.5
163Q27.2Very low31Very low189 Ų189137.8 Ų137.888%0.88379%0.793SS**  trans98.5138.1147.2-149.4154.232.900120.2
164E27.2Very low31.8Very low148 Ų148139.7 Ų139.769%0.69279%0.789SS**  trans-103.4157.6-171.6-53.5163.669.600111.9
165H29.1Very low31.8Very low151 Ų151143.2 Ų143.270%0.69979%0.792SS**  168.1134.5100.8-87.9-44.9000114.5
166S27.9Very low31.7Very low98 Ų98144.1 Ų144.169%0.68579%0.792SS**  trans39.2134135-670000124.6
167Y28.8Very low31.8Very low202 Ų202141.2 Ų141.279%0.79278%0.783SS**  trans101.9115.3131.3-99.8-125.5000121
168L31.3Very low31.8Very low147 Ų147141.2 Ų141.277%0.7778%0.783SS**  trans55.8124150.3-56176.5000120
169D29.9Very low32.1Very low159 Ų159143.8 Ų143.885%0.8578%0.783SS**  -148.1166.1109.5-144.6-12.5000111.2
170M31.6Very low31.2Very low148 Ų148145.4 Ų145.473%0.72979%0.785SS**  trans-148.1174-179.5-125.9-73.994.900111.8
171D28.8Very low31.1Very low131 Ų131147.5 Ų147.570%0.70179%0.786SS**  trans58.1120.6169.4-64.8-46.2000119.5
172S29.9Very low30.9Very low118 Ų118147.4 Ų147.483%0.82579%0.791SS**  -178.3121.4104.9-80.10000113.2
173Y31.2Very low30.7Very low226 Ų226146 Ų14689%0.88679%0.787SS**  trans-96.4146148.8-87-93.6000108.8
174P44.3Very low30.9Very low129 Ų129145.4 Ų145.484%0.83878%0.784SS**  trans-71.9140.8-177.429.1-34.8000112.6
175N30.8Very low31.1Very low142 Ų142145 Ų14576%0.75979%0.791SS**  trans-111.3148.7177.5179.214.5000110.1
176N31.4Very low31.2Very low158 Ų158143.3 Ų143.385%0.84580%0.797SS**  trans-178.6144.6150.2-94-22.1000110.4
177A34.3Very low32.1Very low85 Ų85144.8 Ų144.870%0.70280%0.804SS**  cis-167.4154.9-19.400000110.4
178G30.6Very low32.1Very low70 Ų70142.7 Ų142.772%0.72281%0.807SS**  trans102.2140.9159.800000116.7
179T32.3Very low32.2Very low132 Ų132142.4 Ų142.481%0.8181%0.811SS**  cis-152121.6-7.8-47.10000112.2
180L33.4Very low33Very low149 Ų149141 Ų14178%0.7881%0.81SS**  trans29124.9155.1-62.3173.6000122.9
181K29.5Very low32.9Very low202 Ų202141.4 Ų141.488%0.87882%0.816SS**  94.9141.2129.7-84.5-177.1174.5-177.70121.4
182L27.6Very low33Very low171 Ų171139.9 Ų139.990%0.89582%0.815SS**  trans-99.3138.2-176.6177.476.4000110.1
183S28.3Very low33.1Very low112 Ų112143.6 Ų143.678%0.78382%0.819SS**  trans-149.8165.4164.156.90000111.2
184Q29.9Very low33Very low176 Ų176136.6 Ų136.682%0.82282%0.816SS**  trans-91.4-176.5-167-62.5164.9-45.200113.7
185T31.6Very low32.2Very low138 Ų138134.5 Ų134.585%0.84782%0.818SS**  trans81.9125.8162.267.40000118.8
186S32.3Very low32.2Very low116 Ų116132.8 Ų132.881%0.81182%0.823SS**PPolyproline II helixtrans-96.3158.3160.9-62.60000109.5
187P46.7Very low32.4Very low130 Ų130133.9 Ų133.984%0.84482%0.823SS**PPolyproline II helixtrans-93.5151.8-170.235.6-35.7000115.6
188D28Very low33.2Very low157 Ų157134.3 Ų134.384%0.8482%0.818SS**PPolyproline II helixtrans-96.7149.2168.7-67.9-62.1000112.7
189V33.6Very low33.3Very low141 Ų141137.5 Ų137.586%0.85582%0.819SS**  trans-175.4155.3137.3-98.90000110.6
190P47.5Very low33.3Very low129 Ų129138.2 Ų138.284%0.83881%0.811SS**  cis-123.7-172-26.935.4-17.4000111.9
191N29.7Very low33Very low158 Ų158138.3 Ų138.385%0.84581%0.807SS**  trans-128.1147.8-171.3-177.931.6000112.9
192S29.9Very low33.5Very low98 Ų98136.7 Ų136.769%0.68581%0.807SS**  trans-162.1114.6165.659.50000113
193E31.6Very low34.4Very low197 Ų197134.8 Ų134.892%0.92181%0.805SS**  trans54134.9151.6-54.8179.5-177.200120.1
194G29.6Very low34.5Very low79 Ų79137.1 Ų137.181%0.81481%0.809SS**  cis176.1111.1-5.900000114.4
195G28.5Very low34.6Very low85 Ų85133.1 Ų133.188%0.87681%0.806SS**  trans72.1102.8142.600000122.2
196A30.1Very low34.8Very low105 Ų105135.9 Ų135.987%0.86881%0.808SS**  trans-161.5149.4137.900000111.7
197H35.9Very low34.8Very low182 Ų182135.3 Ų135.384%0.84380%0.804SS**  trans-127.2176.8-173.2-100.3-60.9000109.8
198P51.3Low34.1Very low93 Ų93137.5 Ų137.560%0.60480%0.804SS**  cis-141.8168.7-22.437.1-18.9000116.2
199N32.5Very low34.3Very low138 Ų138139.1 Ų139.174%0.73881%0.806SS**  trans61.3161.5138.7-68.6-5.3000121.4
200K31.6Very low34.1Very low146 Ų146140.8 Ų140.864%0.63580%0.804SS**  cis-155.1154-2.9-129.8179.1-175.4-116.30112.6
201E27.7Very low33.2Very low151 Ų151139.7 Ų139.771%0.70680%0.795SS**  trans29.5154.6139.8-70.8161.9-169.800125.1
202L40.6Very low33.2Very low169 Ų169138.2 Ų138.289%0.88579%0.792SS**  trans-75.2164.5171.5-52.6106.8000113.7
203P46.1Very low33.7Very low131 Ų131139.4 Ų139.485%0.85180%0.797SS**  trans-139.6-177.6138.639.1-25.4000114.8
204N30Very low33.8Very low161 Ų161140 Ų14086%0.86179%0.791SS**  trans-140163.6-178-171.211.8000111
205A32.7Very low33.9Very low91 Ų91142 Ų14275%0.75279%0.789SS**  trans78.4160.9168.900000120.7
206H34.6Very low34.1Very low196 Ų196146.1 Ų146.191%0.90778%0.784SS**  trans-87.1163.2-160-57.8-47.2000117.6
207S33.1Very low35.1Very low104 Ų104146.6 Ų146.673%0.72778%0.777SS**  -173.9137105.2-155.70000117.2
208Q31.2Very low34.7Very low177 Ų177146.3 Ų146.383%0.82778%0.779SS**  trans32.4125.9149.2-64.4177.18.400125.4
209Q31.8Very low33.7Very low190 Ų190146.4 Ų146.489%0.88878%0.778SS**  166.4155.8120.6-91.4175.511.500109.6
210Q30.3Very low33.6Very low176 Ų176147.2 Ų147.282%0.82278%0.777SS**  cis-175.1158.2-42.9-157.6-171.57.900106.3
211V27.8Very low33.6Very low106 Ų106148.6 Ų148.664%0.64279%0.786SS**  trans86.789.6158.2-172.40000122.7
212T30.8Very low33.7Very low127 Ų127149 Ų14978%0.77979%0.791SS**  trans70.7-179.3135.771.40000121.6
213P39.9Very low33.1Very low123 Ų123146.7 Ų146.780%0.79979%0.79SS**  -130.7-173.8-78.942.3-25.5000116.5
214R33Very low32.5Very low211 Ų211145 Ų14580%0.79678%0.781SS**  trans-104.1152.7-167.4-176.5-161.3-158.8172.113.7114.6
215P32.8Very low33.1Very low119 Ų119143.3 Ų143.377%0.77378%0.779SS**  trans-126.8176153.237.1-24.6000116.3
216K31.8Very low33Very low173 Ų173145.9 Ų145.975%0.75278%0.78SS**  trans-157.7-176.2175.5-88.5-165.5173.6-169.20106.5
217P51.1Low32.7Very low114 Ų114146.1 Ų146.174%0.7478%0.779SS**  -131.6170.6-57.840.1-24.9000113.4
218M27.2Very low32.7Very low177 Ų177150 Ų15087%0.87279%0.785SS**  trans-168.7168.1166.4-102.1-168.617400109.9
219T31Very low32.6Very low95 Ų95145.4 Ų145.458%0.58379%0.785SS**  cis-166.7177.4-45.123.10000108.1
220H31.3Very low32.6Very low154 Ų154145.4 Ų145.471%0.71379%0.785SS**  trans72153.9171.3-54.9-92.4000116.3
221Q30.6Very low32.7Very low176 Ų176144.5 Ų144.582%0.82278%0.781SS**  cis-154.7178.9-16.6-120.6165.7-7.500110.4
222L30.8Very low32.8Very low158 Ų158148.1 Ų148.183%0.82779%0.788SS**  trans-119.2145.9-175.5-159.390.4000112.2
223S28Very low32.9Very low121 Ų121150.3 Ų150.385%0.84679%0.789SS**  trans-156.3145.4162.9-76.70000110.9
224S32.5Very low32.6Very low96 Ų96153.6 Ų153.667%0.67179%0.794SS**  trans-96.2-179-174.8-50.40000113.9
225P43.1Very low32.8Very low126 Ų126149.1 Ų149.182%0.81879%0.79SS**  -134.1-177.393.140.2-30.2000114.8
226D29.4Very low33Very low145 Ų145149.7 Ų149.778%0.77579%0.791SS**  trans-97.6157.6-154.2-41-93.4000116.4
227F29.5Very low33.2Very low200 Ų200147.1 Ų147.188%0.87779%0.794SS**  -161162.6128.2-129.2-99.4000112.1
228H32.3Very low32.8Very low186 Ų186150.4 Ų150.486%0.86180%0.803SS**  trans-78.9152.2-168.6-71.9-107.5000115.8
229G30.3Very low33.8Very low80 Ų80145.4 Ų145.483%0.82580%0.797SS**  trans173.1102.4166.400000114.2
230E30.2Very low34.5Very low190 Ų190149.6 Ų149.689%0.88881%0.81SS**  trans-56.2151.5-168-59.3171.8142.300118.2
231E32.8Very low35.6Very low158 Ų158148.8 Ų148.874%0.73881%0.809SS**  trans32.4134.6148.7-64.9-167175.900121.1
232K30.9Very low36.5Very low182 Ų182147.5 Ų147.579%0.79180%0.801SS**  cis-163.1158.844.2-134.9162.4-169.6101.50112
233E33.3Very low37.6Very low172 Ų172144.5 Ų144.580%0.80479%0.791SS**  trans-95.1139-172.3-178177.5-144.500113.7
234Q33Very low38.8Very low192 Ų192144.2 Ų144.290%0.89778%0.777SS**  trans-151.6124.6154.8-137.5175.128.500112.6
235V36.5Very low39.3Very low117 Ų117146.5 Ų146.571%0.70978%0.78SS**  trans-81.5130.4-172.1178.60000111.9
236T37Very low39.3Very low131 Ų131149.4 Ų149.480%0.80478%0.776SS**  trans-137.2146.6160.646.60000110.8
237C36.7Very low39.9Very low119 Ų119150 Ų15080%0.80477%0.768SS**  trans-73.7132.3-165-55.80000113.5G239C237-G239 PolarHBondContact O-N 3.33Å
238I42.3Very low40.4Very low183 Ų183146 Ų14694%0.93876%0.762SS**THydrogen-bonded Turntrans-70114.9172.7-60.6178.9000109
239G49.4Very low40.4Very low72 Ų72147 Ų14774%0.74276%0.764SS**THydrogen-bonded Turntrans162.9-18.5179.100000115.5C237C237-G239 PolarHBondContact O-N 3.33Å
240Q45.5Very low40.7Very low183 Ų183146.4 Ų146.486%0.85576%0.758SS**  trans-84.8126.7176.2-73.3-176.2-30.400112.5K242Q240-K242 PolarHBondContact O-N 3.48Å
241I52.9Low40.8Very low137 Ų137144.9 Ų144.970%0.70376%0.756SS**  trans-69.9120.5169.1-60.6169.4000108.1P243 Y246I241-P243 VanDerWaalsContact O-CD 3.29Å; I241-P243 WeakPolarHBondContact O-CD 3.11Å; I241-Y246 HydrophobicContact CG2-CD2 4.31Å; I241-Y246 HydrophobicContact CG2-CE2 3.94Å
242K50.3Low41.4Very low149 Ų149146.6 Ų146.665%0.64876%0.764SS**  trans-75.6115.3172.6-71.8-175.4175.6-178.30109.9Q240 E244 L245Q240-K242 PolarHBondContact O-N 3.48Å; K242-E244 PolarHBondContact O-N 3.14Å; K242-L245 HydrophobicContact CB-CD1 4.47Å; K242-L245 PolarHBondContact O-N 3.45Å
243P54Low41.4Very low95 Ų95140.4 Ų140.462%0.61775%0.752SS**G310 helixtrans-63.5-26.1-179.9-22.235.2000113I241 L245 Y246I241-P243 VanDerWaalsContact O-CD 3.29Å; I241-P243 WeakPolarHBondContact O-CD 3.11Å; P243-L245 PolarHBondContact O-N 3.42Å; P243-L245 VanDerWaalsContact O-N 3.11Å; P243-Y246 PolarHBondContact O-N 3.07Å
244E52.5Low41.7Very low116 Ų116142.1 Ų142.154%0.54276%0.76SS.*G310 helixtrans-51.9-31.3176.2-49.6-53.1139.400113.8K242 Y246 R247K242-E244 PolarHBondContact O-N 3.14Å; E244-Y246 VanDerWaalsContact C-N 3.32Å; E244-Y246 PolarHBondContact O-N 2.98Å; E244-R247 IonicContact OE1-NH2 3.6Å; E244-R247 IonicContact OE2-CZ 2.66Å; E244-R247 IonicContact OE2-NH1 2.85Å; E244-R247 PolarHBondContact OE2-NH1 3.14Å; E244-R247 IonicContact OE2-NH2 3.97Å; E244-R247 PolarHBondContact OE2-NH2 2.98Å
245L43.7Very low41.6Very low143 Ų143135.9 Ų135.975%0.74975%0.747SS**G310 helixtrans-78.7-10.9-178.6-85.8163.5000114.3K242 P243K242-L245 HydrophobicContact CB-CD1 4.47Å; K242-L245 PolarHBondContact O-N 3.45Å; P243-L245 PolarHBondContact O-N 3.42Å; P243-L245 VanDerWaalsContact O-N 3.11Å
246Y43.4Very low41.5Very low187 Ų187140.3 Ų140.373%0.73376%0.757SS**G310 helixtrans-113.56.7179.4-69-81.1000113.4I241 P243 E244 P248I241-Y246 HydrophobicContact CG2-CD2 4.31Å; I241-Y246 HydrophobicContact CG2-CE2 3.94Å; P243-Y246 PolarHBondContact O-N 3.07Å; E244-Y246 VanDerWaalsContact C-N 3.32Å; E244-Y246 PolarHBondContact O-N 2.98Å; Y246-P248 WeakPolarHBondContact O-CD 3.5Å
247R41.2Very low41.4Very low157 Ų157143.7 Ų143.759%0.59276%0.764SS**SBendtrans-70.6122.4169-166.9177.4-63.8108.6-0.5108.3E244 K249E244-R247 IonicContact OE1-NH2 3.6Å; E244-R247 IonicContact OE2-CZ 2.66Å; E244-R247 IonicContact OE2-NH1 2.85Å; E244-R247 PolarHBondContact OE2-NH1 3.14Å; E244-R247 IonicContact OE2-NH2 3.97Å; E244-R247 PolarHBondContact OE2-NH2 2.98Å; R247-K249 PolarHBondContact O-N 3.28Å
248P39.6Very low41.5Very low118 Ų118140.7 Ų140.777%0.76675%0.753SS**  trans-55.8131175.9-24.534.4000109.8Y246 G250Y246-P248 WeakPolarHBondContact O-CD 3.5Å; P248-G250 PolarHBondContact O-N 2.98Å; P248-G250 VanDerWaalsContact O-N 3.12Å
249K32.4Very low42.3Very low206 Ų206139 Ų13990%0.89675%0.746SS**  trans-65.1114.8175-71.5-174.6176.8-176.40108.3R247 D251R247-K249 PolarHBondContact O-N 3.28Å; K249-D251 PolarHBondContact O-N 2.86Å
250G37.4Very low43.6Very low68 Ų68141.1 Ų141.170%0.70174%0.744SS**  trans-63.2122.5160.200000107.7P248 Q252P248-G250 PolarHBondContact O-N 2.98Å; P248-G250 VanDerWaalsContact O-N 3.12Å; G250-Q252 PolarHBondContact O-N 2.68Å
251D32.5Very low45.8Very low158 Ų158132.7 Ų132.785%0.84571%0.705SS**  trans-75.496-175.6-168.428.3000109.9K249 G253K249-D251 PolarHBondContact O-N 2.86Å; D251-G253 PolarHBondContact O-N 3.32Å
252Q44.2Very low47.8Very low193 Ų193126.5 Ų126.590%0.90268%0.675SS**  trans-79.264.4170.9-73.7-170.9-15.600110.1G250G250-Q252 PolarHBondContact O-N 2.68Å
253G31.8Very low50Low52 Ų52123.9 Ų123.954%0.53666%0.662SS.*  trans-72.2134.3158.100000109.6D251 G255D251-G253 PolarHBondContact O-N 3.32Å; G253-G255 PolarHBondContact O-N 3.04Å
254E40.5Very low52.1Low208 Ų208119.4 Ų119.497%0.97263%0.632SS**  trans-72.164.4165.6-69.1-170.9114.800110.1
255G30.3Very low54.3Low62 Ų62114 Ų11464%0.63961%0.607SS**  trans-71.1138.1172.900000110.6G253 Q257G253-G255 PolarHBondContact O-N 3.04Å; G255-Q257 PolarHBondContact O-N 3.18Å
256K34.4Very low56.8Low210 Ų210107.2 Ų107.291%0.91357%0.572SS**  trans-54.5135.2162.1-64.6176.3-179.7177.40108G258K256-G258 PolarHBondContact O-N 2.76Å
257Q34.8Very low59.2Low202 Ų20299.5 Ų99.594%0.94454%0.543SS*.  trans-53.9111.9178.8-67.9173.2-75.200109.7G255G255-Q257 PolarHBondContact O-N 3.18Å
258G39.1Very low61.6Low56 Ų5692.1 Ų92.158%0.57752%0.516SS*.PPolyproline II helixtrans-87.2147.2169.800000110K256 T260K256-G258 PolarHBondContact O-N 2.76Å; G258-T260 PolarHBondContact O-N 3.15Å; G258-T260 VanDerWaalsContact O-N 3.15Å
259D57.9Low64Low148 Ų14892.3 Ų92.379%0.79150%0.501SS*.PPolyproline II helixtrans-56.6116.3179.6-69-74.6000111.7
260T76.9Confident66.8Low115 Ų11583 Ų8371%0.70646%0.46SS*.PPolyproline II helixtrans-103.6123.8166.5530000108.3G258 G262G258-T260 PolarHBondContact O-N 3.15Å; G258-T260 VanDerWaalsContact O-N 3.15Å; T260-G262 PolarHBondContact O-N 2.98Å
261C91.7Very high69.4Low6 Ų680.4 Ų80.44%0.04143%0.432CS..  trans-79.324.8-177.8-62.30000113.5L287 I359 I383 E385C261-L287 WeakPolarHBondContact O-CD2 3.35Å; C261-I359 PolarHBondContact SG-O 3.42Å; C261-I359 VanDerWaalsContact SG-O 3.38Å; C261-I383 HydrophobicContact CB-CB 4.1Å; C261-I383 HydrophobicContact CB-CG2 3.72Å; C261-I383 WeakPolarHBondContact CB-O 3.47Å; C261-I383 WeakPolarHBondContact O-CB 3.47Å; C261-I383 WeakPolarHBondContact O-CD1 3.49Å; C261-E385 VanDerWaalsContact SG-CA 3.52Å; C261-E385 WeakPolarHBondContact SG-CB 3.32Å
262G95.3Very high72.1Confident7 Ų778.3 Ų78.37%0.07242%0.416CS..  trans71.2-159.2-171.100000113.7T260 L285 D286 I383T260-G262 PolarHBondContact O-N 2.98Å; G262-L285 CarbonylContact C-O 3.53Å; G262-L285 VanDerWaalsContact CA-O 3.25Å; G262-L285 WeakPolarHBondContact CA-O 3.09Å; G262-D286 WeakPolarHBondContact CA-O 3.45Å; G262-D286 PolarHBondContact N-O 3.33Å; G262-I383 PolarHBondContact O-N 3.22Å
263R97.1Very high74.4Confident95 Ų9576 Ų7636%0.35841%0.41SS..EExtended strand (participates in β ladder)trans-149.7145.7-17854.9-179.2171.5164.1-0.3112.2A284 L285 D286 W380 R381R263-A284 CarbonylContact O-C 3.3Å; R263-A284 VanDerWaalsContact O-CA 3.25Å; R263-A284 WeakPolarHBondContact O-CA 3.24Å; R263-A284 WeakPolarHBondContact O-CB 3.14Å; R263-L285 HydrophobicContact CG-CB 4.24Å; R263-L285 PolarHBondContact N-O 2.99Å; R263-L285 PolarHBondContact O-N 3.07Å; R263-D286 IonicContact CZ-OD2 3.7Å; R263-D286 IonicContact NE-OD2 3.78Å; R263-D286 PolarHBondContact NE-OD2 2.85Å; R263-D286 IonicContact NH2-OD2 2.75Å; R263-W380 HydrophobicContact CB-CE3 4.32Å; R263-W380 HydrophobicContact CG-CE3 3.94Å; R263-W380 HydrophobicContact CG-CZ3 3.93Å; R263-R381 CarbonylContact C-O 3.45Å; R263-R381 WeakPolarHBondContact CA-O 3.49Å
264I97.9Very high77.3Confident0 Ų076.7 Ų76.70%040%0.403CS..EExtended strand (participates in β ladder)trans-109.8144.8-177.6-165.7167.9000111.8F266 I281 V300 F345 V347 V362 W380 R381 I383I264-F266 HydrophobicContact CG2-CD1 4.19Å; I264-F266 HydrophobicContact CG2-CE1 4.24Å; I264-I281 HydrophobicContact CD1-CG2 4.13Å; I264-I281 HydrophobicContact CG1-CG2 4.47Å; I264-V300 HydrophobicContact CD1-CG1 4.19Å; I264-V300 HydrophobicContact CD1-CG2 4.02Å; I264-F345 HydrophobicContact CD1-CD2 4.43Å; I264-F345 HydrophobicContact CG2-CD2 4.36Å; I264-V347 HydrophobicContact CD1-CG2 4.33Å; I264-V362 HydrophobicContact CG2-CB 4.43Å; I264-V362 HydrophobicContact CG2-CG2 3.84Å; I264-W380 WeakPolarHBondContact O-CA 3.35Å; I264-R381 HydrophobicContact CG2-CB 4.39Å; I264-R381 PolarHBondContact N-O 3.09Å; I264-R381 PolarHBondContact O-N 3.42Å; I264-I383 HydrophobicContact CB-CD1 4.26Å; I264-I383 HydrophobicContact CB-CG1 4.25Å; I264-I383 HydrophobicContact CG2-CG1 4.33Å
265C97.4Very high79.8Confident3 Ų371.7 Ų71.72%0.0238%0.38CS..EExtended strand (participates in β ladder)trans-120.7131.5178.2-165.50000111.5L282 K283 I379 W380C265-L282 HydrophobicContact CB-CB 4.43Å; C265-L282 WeakPolarHBondContact O-CB 3.15Å; C265-L282 PolarHBondContact O-N 2.55Å; C265-K283 WeakPolarHBondContact CA-O 3.36Å; C265-K283 HydrophobicContact CB-CG 4.02Å; C265-K283 WeakPolarHBondContact CB-O 3.45Å; C265-K283 PolarHBondContact N-O 3.49Å; C265-K283 PolarHBondContact O-N 2.75Å; C265-I379 VanDerWaalsContact CA-O 3.29Å; C265-I379 WeakPolarHBondContact CA-O 3.43Å; C265-W380 HydrophobicContact CB-CD2 3.78Å; C265-W380 HydrophobicContact CB-CE3 3.71Å; C265-W380 HydrophobicContact CB-CH2 3.62Å; C265-W380 HydrophobicContact CB-CZ2 3.69Å; C265-W380 HydrophobicContact CB-CZ3 3.63Å
266F96.6Very high82.8Confident0 Ų071.2 Ų71.20%036%0.361CS..EExtended strand (participates in β ladder)trans-152.8166.8-174.657.4-83.1000112.2I264 L268 K280 I281 F345 V364 I379 R381I264-F266 HydrophobicContact CG2-CD1 4.19Å; I264-F266 HydrophobicContact CG2-CE1 4.24Å; F266-L268 HydrophobicContact CD2-CD1 4.43Å; F266-L268 HydrophobicContact CD2-CD2 4Å; F266-L268 HydrophobicContact CD2-CG 3.86Å; F266-L268 HydrophobicContact CE2-CD1 3.9Å; F266-L268 HydrophobicContact CE2-CD2 4.24Å; F266-L268 HydrophobicContact CE2-CG 3.84Å; F266-K280 CarbonylContact C-O 3.51Å; F266-K280 WeakPolarHBondContact CA-O 3.39Å; F266-K280 VanDerWaalsContact CB-O 3.31Å; F266-K280 WeakPolarHBondContact CB-O 3.17Å; F266-I281 HydrophobicContact CB-CD1 4.08Å; F266-F345 HydrophobicContact CD1-CD2 4.5Å; F266-F345 AromaticContact CD1-CE2 3.66Å; F266-F345 HydrophobicContact CD1-CE2 3.66Å; F266-F345 HydrophobicContact CD1-CZ 4.37Å; F266-F345 AromaticContact CD2-CE2 3.99Å; F266-F345 HydrophobicContact CD2-CE2 3.99Å; F266-F345 HydrophobicContact CD2-CZ 4.04Å; F266-F345 HydrophobicContact CE1-CD2 4.47Å; F266-F345 AromaticContact CE1-CE2 3.72Å; F266-F345 HydrophobicContact CE1-CE2 3.72Å; F266-F345 HydrophobicContact CE2-CE2 4.03Å; F266-F345 HydrophobicContact CE2-CZ 4.33Å; F266-F345 AromaticContact CG-CE2 3.82Å; F266-F345 HydrophobicContact CG-CE2 3.82Å; F266-F345 HydrophobicContact CG-CZ 4.06Å; F266-F345 AromaticContact CZ-CE2 3.9Å; F266-F345 HydrophobicContact CZ-CE2 3.9Å; F266-V364 HydrophobicContact CE2-CG2 4.19Å; F266-V364 HydrophobicContact CZ-CG2 3.76Å; F266-I379 HydrophobicContact CD2-CB 4.18Å; F266-I379 HydrophobicContact CD2-CD1 4.08Å; F266-I379 HydrophobicContact CE1-CB 4.33Å; F266-I379 HydrophobicContact CE1-CG2 4.05Å; F266-I379 HydrophobicContact CE2-CB 3.83Å; F266-I379 HydrophobicContact CE2-CD1 3.71Å; F266-I379 HydrophobicContact CE2-CG1 4.4Å; F266-I379 HydrophobicContact CE2-CG2 3.79Å; F266-I379 HydrophobicContact CZ-CB 3.9Å; F266-I379 HydrophobicContact CZ-CG2 3.46Å; F266-I379 VanDerWaalsContact CZ-CG2 3.46Å; F266-I379 PolarHBondContact N-O 3.41Å; F266-I379 PolarHBondContact O-N 3.16Å; F266-R381 HydrophobicContact CE1-CB 4.11Å; F266-R381 HydrophobicContact CE1-CG 3.8Å; F266-R381 HydrophobicContact CZ-CG 3.84Å
267L94.1Very high85.6Confident26 Ų2661.3 Ų61.314%0.13632%0.318CS..EExtended strand (participates in β ladder)trans-115.8144.4167.5-59.2174.2000109.6K280 L282 K377 P378L267-K280 HydrophobicContact CB-CB 4.25Å; L267-K280 HydrophobicContact CD1-CD 4.4Å; L267-K280 PolarHBondContact N-O 2.95Å; L267-K280 PolarHBondContact O-N 2.87Å; L267-L282 HydrophobicContact CD1-CD2 4.39Å; L267-L282 HydrophobicContact CD2-CD1 4.4Å; L267-L282 HydrophobicContact CG-CD1 4.07Å; L267-L282 HydrophobicContact CG-CD2 4.45Å; L267-L282 HydrophobicContact CG-CG 4.41Å; L267-K377 VanDerWaalsContact CD2-O 3.29Å; L267-K377 WeakPolarHBondContact CD2-O 3.42Å; L267-P378 HydrophobicContact CD2-CB 4.49Å; L267-P378 HydrophobicContact CD2-CG 4.31Å
268L92.6Very high88.4Confident2 Ų252.4 Ų52.41%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-123.2136169.3-60.8-178.5000108.5F266 V279 L343 V364 L367 F370 G375 I379F266-L268 HydrophobicContact CD2-CD1 4.43Å; F266-L268 HydrophobicContact CD2-CD2 4Å; F266-L268 HydrophobicContact CD2-CG 3.86Å; F266-L268 HydrophobicContact CE2-CD1 3.9Å; F266-L268 HydrophobicContact CE2-CD2 4.24Å; F266-L268 HydrophobicContact CE2-CG 3.84Å; L268-V279 HydrophobicContact CD2-CB 4.27Å; L268-V279 HydrophobicContact CD2-CG1 4.01Å; L268-V279 HydrophobicContact CD2-CG2 3.87Å; L268-L343 HydrophobicContact CD1-CD2 4.41Å; L268-L343 HydrophobicContact CD2-CD2 3.4Å; L268-L343 VanDerWaalsContact CD2-CD2 3.4Å; L268-V364 HydrophobicContact CD1-CG1 4.17Å; L268-L367 HydrophobicContact CD1-CD2 4.18Å; L268-F370 HydrophobicContact CB-CB 3.85Å; L268-F370 HydrophobicContact CB-CG 4.31Å; L268-F370 HydrophobicContact CD1-CB 4.22Å; L268-F370 HydrophobicContact CD1-CD1 4.42Å; L268-F370 HydrophobicContact CD1-CD2 3.86Å; L268-F370 HydrophobicContact CD1-CE2 4.34Å; L268-F370 HydrophobicContact CD1-CG 3.9Å; L268-G375 WeakPolarHBondContact O-CA 3.48Å; L268-I379 HydrophobicContact CB-CD1 4.09Å; L268-I379 HydrophobicContact CD1-CD1 4.07Å; L268-I379 HydrophobicContact CG-CD1 3.85Å
269R89.9Confident91.1Very high122 Ų12249.8 Ų49.846%0.4625%0.25SS..EExtended strand (participates in β ladder)trans-149.2134.1172.4-173.5-177.471.6-146.73109.6V278R269-V278 PolarHBondContact N-O 2.68Å; R269-V278 WeakPolarHBondContact O-CA 3.38Å; R269-V278 WeakPolarHBondContact O-CB 3.29Å; R269-V278 PolarHBondContact O-N 2.99Å
270Y91.1Very high92.9Very high10 Ų1046 Ų464%0.03923%0.226CC..EExtended strand (participates in β ladder)trans-87.7134.2170.1-167.6-103.9000110.9F272 E275 L277 V333 L335 L338Y270-F272 HydrophobicContact CD1-CB 4.45Å; Y270-F272 AromaticContact CD1-CD1 3.59Å; Y270-F272 HydrophobicContact CD1-CD1 3.59Å; Y270-F272 AromaticContact CD1-CD2 3.98Å; Y270-F272 HydrophobicContact CD1-CD2 3.98Å; Y270-F272 AromaticContact CD1-CE1 3.69Å; Y270-F272 HydrophobicContact CD1-CE1 3.69Å; Y270-F272 HydrophobicContact CD1-CE2 4.06Å; Y270-F272 AromaticContact CD1-CG 3.74Å; Y270-F272 HydrophobicContact CD1-CG 3.74Å; Y270-F272 AromaticContact CD1-CZ 3.93Å; Y270-F272 HydrophobicContact CD1-CZ 3.93Å; Y270-F272 HydrophobicContact CE1-CB 4.46Å; Y270-F272 AromaticContact CE1-CD1 3.77Å; Y270-F272 HydrophobicContact CE1-CD1 3.77Å; Y270-F272 HydrophobicContact CE1-CE1 4.16Å; Y270-F272 HydrophobicContact CE1-CG 4.09Å; Y270-E275 VanDerWaalsContact OH-CA 3.32Å; Y270-E275 WeakPolarHBondContact OH-CA 3.31Å; Y270-L277 HydrophobicContact CD2-CB 4.46Å; Y270-V333 HydrophobicContact CE2-CG1 4.39Å; Y270-V333 WeakPolarHBondContact CE2-O 3.35Å; Y270-V333 PolarHBondContact OH-O 3.46Å; Y270-L335 HydrophobicContact CD1-CD1 3.98Å; Y270-L335 HydrophobicContact CE1-CB 3.95Å; Y270-L335 HydrophobicContact CE1-CD1 3.81Å; Y270-L335 HydrophobicContact CE1-CG 4.35Å; Y270-L335 PolarHBondContact OH-N 3.33Å; Y270-L338 HydrophobicContact CD2-CD2 3.79Å; Y270-L338 HydrophobicContact CE2-CD2 4.23Å; Y270-L338 HydrophobicContact CG-CD2 4.29Å
271A90.9Very high93.9Very high13 Ų1340.5 Ų40.511%0.10719%0.193CC..EExtended strand (participates in β ladder)trans-102.68917700000109.3N273 T274 E275 Q276 V278A271-N273 PolarHBondContact O-N 2.58Å; A271-N273 VanDerWaalsContact O-N 3.13Å; A271-T274 PolarHBondContact O-N 2.75Å; A271-T274 VanDerWaalsContact O-N 3.1Å; A271-E275 PolarHBondContact O-N 3.19Å; A271-Q276 HydrophobicContact CB-CB 4.32Å; A271-Q276 PolarHBondContact N-O 2.84Å; A271-Q276 PolarHBondContact O-N 2.9Å; A271-V278 HydrophobicContact CB-CG2 4.13Å
272F89.9Confident94.2Very high115 Ų11541.4 Ų41.450%0.50420%0.197SC..THydrogen-bonded Turntrans-57.5-26.5-176.4-63-90.7000114.1Y270 L335Y270-F272 HydrophobicContact CD1-CB 4.45Å; Y270-F272 AromaticContact CD1-CD1 3.59Å; Y270-F272 HydrophobicContact CD1-CD1 3.59Å; Y270-F272 AromaticContact CD1-CD2 3.98Å; Y270-F272 HydrophobicContact CD1-CD2 3.98Å; Y270-F272 AromaticContact CD1-CE1 3.69Å; Y270-F272 HydrophobicContact CD1-CE1 3.69Å; Y270-F272 HydrophobicContact CD1-CE2 4.06Å; Y270-F272 AromaticContact CD1-CG 3.74Å; Y270-F272 HydrophobicContact CD1-CG 3.74Å; Y270-F272 AromaticContact CD1-CZ 3.93Å; Y270-F272 HydrophobicContact CD1-CZ 3.93Å; Y270-F272 HydrophobicContact CE1-CB 4.46Å; Y270-F272 AromaticContact CE1-CD1 3.77Å; Y270-F272 HydrophobicContact CE1-CD1 3.77Å; Y270-F272 HydrophobicContact CE1-CE1 4.16Å; Y270-F272 HydrophobicContact CE1-CG 4.09Å; F272-L335 HydrophobicContact CD1-CD2 4.04Å; F272-L335 HydrophobicContact CE1-CD1 4.05Å; F272-L335 HydrophobicContact CE1-CD2 3.8Å
273N91.3Very high94.4Very high145 Ų14544.7 Ų44.778%0.77521%0.21SC*.THydrogen-bonded Turntrans-82.9-12-179.965.7-40.6000114.6A271A271-N273 PolarHBondContact O-N 2.58Å; A271-N273 VanDerWaalsContact O-N 3.13Å
274T92.8Very high94.5Very high65 Ų6540.2 Ų40.240%0.39919%0.193SC..THydrogen-bonded Turntrans-129.86.4178.859.10000113.5A271 Q276A271-T274 PolarHBondContact O-N 2.75Å; A271-T274 VanDerWaalsContact O-N 3.1Å; T274-Q276 VanDerWaalsContact C-N 3.35Å; T274-Q276 WeakPolarHBondContact O-CG 3.3Å; T274-Q276 PolarHBondContact O-N 3.1Å; T274-Q276 VanDerWaalsContact OG1-CD 3.29Å; T274-Q276 PolarHBondContact OG1-OE1 3.05Å
275E93.3Very high94.4Very high104 Ų10441.9 Ų41.949%0.48620%0.202SC..THydrogen-bonded Turntrans48.350.3-174.1-58.6-159.7124.500113.7Y270 A271 G332 V333Y270-E275 VanDerWaalsContact OH-CA 3.32Å; Y270-E275 WeakPolarHBondContact OH-CA 3.31Å; A271-E275 PolarHBondContact O-N 3.19Å; E275-G332 WeakPolarHBondContact O-CA 3.48Å; E275-V333 PolarHBondContact O-N 3.21Å
276Q93.6Very high94.4Very high51 Ų5145.9 Ų45.924%0.23822%0.223CC..EExtended strand (participates in β ladder)trans-126.7127.7-174.2-76.4159.67.800113.2A271 T274 V278 F331A271-Q276 HydrophobicContact CB-CB 4.32Å; A271-Q276 PolarHBondContact N-O 2.84Å; A271-Q276 PolarHBondContact O-N 2.9Å; T274-Q276 VanDerWaalsContact C-N 3.35Å; T274-Q276 WeakPolarHBondContact O-CG 3.3Å; T274-Q276 PolarHBondContact O-N 3.1Å; T274-Q276 VanDerWaalsContact OG1-CD 3.29Å; T274-Q276 PolarHBondContact OG1-OE1 3.05Å; Q276-V278 PolarHBondContact O-N 2.79Å; Q276-F331 CarbonylContact C-O 3.53Å; Q276-F331 VanDerWaalsContact CA-O 3.28Å; Q276-F331 WeakPolarHBondContact CA-O 3.29Å
277L93.1Very high94.4Very high3 Ų346.1 Ų46.12%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-76.8113160.6179.866.8000109Y270 V279 L304 F331 V333 L338 L343 L367Y270-L277 HydrophobicContact CD2-CB 4.46Å; L277-V279 HydrophobicContact CD2-CG2 4.31Å; L277-V279 HydrophobicContact CG-CG2 4.09Å; L277-L304 HydrophobicContact CD2-CD1 3.95Å; L277-F331 HydrophobicContact CB-CB 4.43Å; L277-F331 PolarHBondContact N-O 3.43Å; L277-F331 PolarHBondContact O-N 2.94Å; L277-V333 HydrophobicContact CB-CG1 3.81Å; L277-L338 HydrophobicContact CD2-CD1 4.34Å; L277-L343 HydrophobicContact CD2-CD1 4.43Å; L277-L367 HydrophobicContact CD2-CD1 4.03Å
278V94.1Very high94.4Very high15 Ų1546.5 Ų46.59%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-93.3126.2175.7-171.40000109R269 A271 Q276 T328 Q330R269-V278 PolarHBondContact N-O 2.68Å; R269-V278 WeakPolarHBondContact O-CA 3.38Å; R269-V278 WeakPolarHBondContact O-CB 3.29Å; R269-V278 PolarHBondContact O-N 2.99Å; A271-V278 HydrophobicContact CB-CG2 4.13Å; Q276-V278 PolarHBondContact O-N 2.79Å; V278-T328 HydrophobicContact CG1-CG2 3.61Å; V278-Q330 HydrophobicContact CG2-CG 4.45Å
279V95.5Very high94.5Very high0 Ų048.6 Ų48.60%025%0.246CC..EExtended strand (participates in β ladder)trans-122.9118.2-177.2-178.10000108.5L268 L277 I281 T328 F329 F331 L343 F345L268-V279 HydrophobicContact CD2-CB 4.27Å; L268-V279 HydrophobicContact CD2-CG1 4.01Å; L268-V279 HydrophobicContact CD2-CG2 3.87Å; L277-V279 HydrophobicContact CD2-CG2 4.31Å; L277-V279 HydrophobicContact CG-CG2 4.09Å; V279-I281 HydrophobicContact CG1-CD1 4.01Å; V279-T328 CarbonylContact O-C 3.51Å; V279-T328 WeakPolarHBondContact O-CA 3.1Å; V279-F329 PolarHBondContact N-O 3.19Å; V279-F329 PolarHBondContact O-N 3.01Å; V279-F331 HydrophobicContact CG2-CD2 4.21Å; V279-F331 HydrophobicContact CG2-CE2 4.33Å; V279-L343 HydrophobicContact CG1-CD2 3.97Å; V279-L343 HydrophobicContact CG2-CD1 4Å; V279-L343 HydrophobicContact CG2-CD2 3.77Å; V279-F345 HydrophobicContact CG1-CE1 3.94Å; V279-F345 HydrophobicContact CG1-CZ 4.05Å
280K96.7Very high94.5Very high68 Ų6845.9 Ų45.930%0.29624%0.237SC..EExtended strand (participates in β ladder)trans-113.4113.7173.9-176.3177.2-178-175.30110.7F266 L267 L282 N326 E327 T328F266-K280 CarbonylContact C-O 3.51Å; F266-K280 WeakPolarHBondContact CA-O 3.39Å; F266-K280 VanDerWaalsContact CB-O 3.31Å; F266-K280 WeakPolarHBondContact CB-O 3.17Å; L267-K280 HydrophobicContact CB-CB 4.25Å; L267-K280 HydrophobicContact CD1-CD 4.4Å; L267-K280 PolarHBondContact N-O 2.95Å; L267-K280 PolarHBondContact O-N 2.87Å; K280-L282 HydrophobicContact CD-CD2 3.86Å; K280-L282 HydrophobicContact CG-CD2 3.98Å; K280-N326 VanDerWaalsContact CE-O 3.29Å; K280-N326 WeakPolarHBondContact CE-O 3.42Å; K280-E327 CarbonylContact C-O 3.57Å; K280-E327 VanDerWaalsContact CA-O 3.31Å; K280-E327 WeakPolarHBondContact CA-O 3.2Å; K280-T328 HydrophobicContact CB-CG2 4.26Å; K280-T328 WeakPolarHBondContact CG-OG1 3.44Å
281I98.1Very high94.3Very high0 Ų048.1 Ų48.10%025%0.25CC..EExtended strand (participates in β ladder)trans-80.4119.2172.7-51.7-55000107.7I264 F266 V279 I302 T314 F325 N326 E327 F329 F345I264-I281 HydrophobicContact CD1-CG2 4.13Å; I264-I281 HydrophobicContact CG1-CG2 4.47Å; F266-I281 HydrophobicContact CB-CD1 4.08Å; V279-I281 HydrophobicContact CG1-CD1 4.01Å; I281-I302 HydrophobicContact CD1-CD1 3.96Å; I281-I302 HydrophobicContact CG1-CD1 3.65Å; I281-T314 HydrophobicContact CB-CG2 4.41Å; I281-T314 HydrophobicContact CG1-CG2 4.37Å; I281-F325 HydrophobicContact CB-CB 4.47Å; I281-F325 HydrophobicContact CG2-CB 4.16Å; I281-F325 HydrophobicContact CG2-CD2 3.58Å; I281-F325 HydrophobicContact CG2-CE2 4.26Å; I281-F325 HydrophobicContact CG2-CG 4.08Å; I281-N326 CarbonylContact O-C 3.56Å; I281-N326 WeakPolarHBondContact O-CA 3.44Å; I281-N326 PolarHBondContact O-N 3.15Å; I281-E327 PolarHBondContact N-O 3.04Å; I281-E327 PolarHBondContact O-N 3.27Å; I281-E327 VanDerWaalsContact O-N 3.11Å; I281-F329 HydrophobicContact CG1-CD2 4.4Å; I281-F329 HydrophobicContact CG1-CE2 4.08Å; I281-F345 HydrophobicContact CD1-CD1 4.16Å; I281-F345 HydrophobicContact CD1-CE1 3.64Å; I281-F345 HydrophobicContact CD1-CE2 4.42Å; I281-F345 HydrophobicContact CD1-CZ 3.78Å
282L98.1Very high93.9Very high25 Ų2552.8 Ų52.813%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-89.1-61.9-177.1-61.9177.1000110.8C265 L267 K280 V324 F325 N326 P378C265-L282 HydrophobicContact CB-CB 4.43Å; C265-L282 WeakPolarHBondContact O-CB 3.15Å; C265-L282 PolarHBondContact O-N 2.55Å; L267-L282 HydrophobicContact CD1-CD2 4.39Å; L267-L282 HydrophobicContact CD2-CD1 4.4Å; L267-L282 HydrophobicContact CG-CD1 4.07Å; L267-L282 HydrophobicContact CG-CD2 4.45Å; L267-L282 HydrophobicContact CG-CG 4.41Å; K280-L282 HydrophobicContact CD-CD2 3.86Å; K280-L282 HydrophobicContact CG-CD2 3.98Å; L282-V324 CarbonylContact O-C 3.51Å; L282-F325 PolarHBondContact O-N 2.71Å; L282-N326 PolarHBondContact O-N 2.68Å; L282-P378 HydrophobicContact CD1-CB 4.05Å; L282-P378 HydrophobicContact CD1-CG 4.23Å
283K98.3Very high93.7Very high77 Ų7750.4 Ų50.434%0.33528%0.281SS..EExtended strand (participates in β ladder)trans-162.9164-176.557.5175.4175.4172.90111.5C265 L285 P323 V324 W380C265-K283 WeakPolarHBondContact CA-O 3.36Å; C265-K283 HydrophobicContact CB-CG 4.02Å; C265-K283 WeakPolarHBondContact CB-O 3.45Å; C265-K283 PolarHBondContact N-O 3.49Å; C265-K283 PolarHBondContact O-N 2.75Å; K283-L285 HydrophobicContact CD-CD2 4.49Å; K283-P323 CarbonylContact C-O 3.54Å; K283-P323 WeakPolarHBondContact CA-O 3.43Å; K283-P323 WeakPolarHBondContact CB-O 3.46Å; K283-V324 HydrophobicContact CB-CB 4.37Å; K283-V324 HydrophobicContact CB-CG1 4.49Å; K283-V324 HydrophobicContact CB-CG2 4.03Å; K283-V324 HydrophobicContact CD-CG2 4.48Å; K283-W380 HydrophobicContact CD-CH2 4.41Å; K283-W380 HydrophobicContact CG-CH2 4.27Å
284A98.4Very high93.6Very high1 Ų145.6 Ų45.61%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-114.9161.6158.500000110.1R263 L287 N322 P323 F325R263-A284 CarbonylContact O-C 3.3Å; R263-A284 VanDerWaalsContact O-CA 3.25Å; R263-A284 WeakPolarHBondContact O-CA 3.24Å; R263-A284 WeakPolarHBondContact O-CB 3.14Å; A284-L287 HydrophobicContact CB-CD1 4.1Å; A284-L287 HydrophobicContact CB-CD2 3.93Å; A284-L287 HydrophobicContact CB-CG 4.1Å; A284-N322 CarbonylContact O-C 3.57Å; A284-N322 WeakPolarHBondContact O-CA 3.5Å; A284-P323 HydrophobicContact CB-CG 3.94Å; A284-P323 PolarHBondContact N-O 2.91Å; A284-F325 HydrophobicContact CB-CE2 4.39Å
285L97.8Very high93.6Very high35 Ų3547.1 Ų47.118%0.18327%0.267CS..EExtended strand (participates in β ladder)trans-131156.8172.2-63.5177.2000110.1G262 R263 K283 L287 N322 W380G262-L285 CarbonylContact C-O 3.53Å; G262-L285 VanDerWaalsContact CA-O 3.25Å; G262-L285 WeakPolarHBondContact CA-O 3.09Å; R263-L285 HydrophobicContact CG-CB 4.24Å; R263-L285 PolarHBondContact N-O 2.99Å; R263-L285 PolarHBondContact O-N 3.07Å; K283-L285 HydrophobicContact CD-CD2 4.49Å; L285-L287 PolarHBondContact O-N 3.03Å; L285-L287 VanDerWaalsContact O-N 3.17Å; L285-N322 VanDerWaalsContact CA-OD1 3.23Å; L285-N322 WeakPolarHBondContact CA-OD1 3.36Å; L285-N322 HydrophobicContact CD2-CB 4.16Å; L285-N322 VanDerWaalsContact CD2-OD1 3.22Å; L285-N322 WeakPolarHBondContact CD2-OD1 3.36Å; L285-W380 HydrophobicContact CB-CZ3 4.4Å; L285-W380 HydrophobicContact CD1-CH2 3.37Å; L285-W380 HydrophobicContact CD1-CZ2 4.27Å; L285-W380 HydrophobicContact CD1-CZ3 3.83Å; L285-W380 HydrophobicContact CG-CH2 3.7Å; L285-W380 HydrophobicContact CG-CZ3 3.95Å
286D96.4Very high93.8Very high87 Ų8742.1 Ų42.147%0.46524%0.244SC..SBendtrans58.830.2165.1-44.8-53.5000113.4G262 R263 L321 N322G262-D286 WeakPolarHBondContact CA-O 3.45Å; G262-D286 PolarHBondContact N-O 3.33Å; R263-D286 IonicContact CZ-OD2 3.7Å; R263-D286 IonicContact NE-OD2 3.78Å; R263-D286 PolarHBondContact NE-OD2 2.85Å; R263-D286 IonicContact NH2-OD2 2.75Å; D286-L321 PolarHBondContact N-O 2.85Å; D286-N322 PolarHBondContact N-OD1 2.85Å
287L96.8Very high94Very high5 Ų539.9 Ų39.93%0.02623%0.233CC..PPolyproline II helixtrans-65.9148.4178.5-60-178.1000111.2C261 A284 L285 P298 L321 P323 V347 I359 I383C261-L287 WeakPolarHBondContact O-CD2 3.35Å; A284-L287 HydrophobicContact CB-CD1 4.1Å; A284-L287 HydrophobicContact CB-CD2 3.93Å; A284-L287 HydrophobicContact CB-CG 4.1Å; L285-L287 PolarHBondContact O-N 3.03Å; L285-L287 VanDerWaalsContact O-N 3.17Å; L287-P298 HydrophobicContact CD1-CB 3.69Å; L287-P298 HydrophobicContact CD1-CG 3.91Å; L287-L321 HydrophobicContact CB-CB 4.43Å; L287-L321 WeakPolarHBondContact CB-O 3.16Å; L287-L321 WeakPolarHBondContact CG-O 3.32Å; L287-L321 PolarHBondContact N-O 3.18Å; L287-L321 WeakPolarHBondContact O-CB 3.1Å; L287-L321 WeakPolarHBondContact O-CD1 3.24Å; L287-L321 WeakPolarHBondContact O-CD2 3.49Å; L287-P323 HydrophobicContact CD1-CG 3.86Å; L287-V347 HydrophobicContact CD1-CG1 4.31Å; L287-V347 HydrophobicContact CD2-CG1 4.38Å; L287-I359 HydrophobicContact CD1-CD1 4.47Å; L287-I359 HydrophobicContact CD2-CG2 4.18Å; L287-I383 HydrophobicContact CD2-CD1 3.39Å
288P94.5Very high94.2Very high34 Ų3439.8 Ų39.822%0.22123%0.232CC..PPolyproline II helixtrans-69.5144.6171.629.3-35.3000111S296 I359P288-S296 PolarHBondContact O-OG 3.4Å; P288-I359 HydrophobicContact CG-CG2 3.81Å
289A93.4Very high94.4Very high46 Ų4639 Ų3938%0.3823%0.228SC..PPolyproline II helixtrans-70.9128.9164.900000109.8G294 F295 S296 L321A289-G294 VanDerWaalsContact CB-C 3.5Å; A289-G294 WeakPolarHBondContact CB-O 3.47Å; A289-F295 VanDerWaalsContact CA-O 3.28Å; A289-F295 WeakPolarHBondContact CA-O 3.47Å; A289-F295 WeakPolarHBondContact CB-O 3.46Å; A289-S296 WeakPolarHBondContact CA-OG 3.44Å; A289-L321 HydrophobicContact CB-CD1 4.43Å; A289-L321 HydrophobicContact CB-CD2 4.21Å
290K90.8Very high94.5Very high65 Ų6539 Ų3928%0.28323%0.228SC..  trans-110.5-35.8171.1-56.3-66.1-161.3149.10110.9F295 S296 D349 D357 L358 I359K290-F295 PolarHBondContact N-O 3.06Å; K290-S296 PolarHBondContact N-OG 3.24Å; K290-S296 VanDerWaalsContact N-OG 3.09Å; K290-D349 HydrophobicContact CB-CB 4.22Å; K290-D349 WeakPolarHBondContact CB-OD2 3.27Å; K290-D349 HydrophobicContact CG-CB 4.32Å; K290-D357 HydrophobicContact CB-CB 4.4Å; K290-D357 WeakPolarHBondContact CD-OD2 3.18Å; K290-D357 HydrophobicContact CG-CB 4.45Å; K290-D357 IonicContact NZ-OD2 2.68Å; K290-L358 WeakPolarHBondContact CE-O 3.36Å; K290-L358 PolarHBondContact NZ-O 3.44Å; K290-I359 HydrophobicContact CG-CG1 3.94Å
291D86.4Confident94.5Very high56 Ų5637.3 Ų37.330%0.29922%0.22SC..SBendtrans-63.6137.8175.8-146.5-21.9000111.8N293 G294 F295D291-N293 PolarHBondContact O-N 2.69Å; D291-N293 PolarHBondContact OD1-ND2 3.16Å; D291-N293 PolarHBondContact OD2-ND2 3.2Å; D291-G294 PolarHBondContact O-N 2.9Å; D291-F295 WeakPolarHBondContact CB-O 3.26Å; D291-F295 PolarHBondContact N-O 2.85Å
292A83.6Confident94.5Very high112 Ų11237.3 Ų37.393%0.92622%0.22SC*.THydrogen-bonded Turntrans-64.9-6.5179.700000113.7
293N84.1Confident94.2Very high65 Ų6537.8 Ų37.835%0.34822%0.221SC..THydrogen-bonded Turntrans-85.8-0.51746848.8000114.5D291 F295D291-N293 PolarHBondContact O-N 2.69Å; D291-N293 PolarHBondContact OD1-ND2 3.16Å; D291-N293 PolarHBondContact OD2-ND2 3.2Å; N293-F295 WeakPolarHBondContact O-CD2 3.41Å; N293-F295 WeakPolarHBondContact OD1-CB 3.21Å; N293-F295 WeakPolarHBondContact OD1-CD2 3.41Å; N293-F295 PolarHBondContact OD1-N 2.93Å; N293-F295 VanDerWaalsContact OD1-N 3.09Å
294G89.3Confident94Very high43 Ų4334.4 Ų34.444%0.44321%0.207SC..SBendtrans87.19.9177.900000114.9A289 D291A289-G294 VanDerWaalsContact CB-C 3.5Å; A289-G294 WeakPolarHBondContact CB-O 3.47Å; D291-G294 PolarHBondContact O-N 2.9Å
295F94.4Very high93.4Very high97 Ų9735.8 Ų35.843%0.42521%0.214SC..SBendtrans-126.3-161173-59.9-93.1000110.1A289 K290 D291 N293 K319A289-F295 VanDerWaalsContact CA-O 3.28Å; A289-F295 WeakPolarHBondContact CA-O 3.47Å; A289-F295 WeakPolarHBondContact CB-O 3.46Å; K290-F295 PolarHBondContact N-O 3.06Å; D291-F295 WeakPolarHBondContact CB-O 3.26Å; D291-F295 PolarHBondContact N-O 2.85Å; N293-F295 WeakPolarHBondContact O-CD2 3.41Å; N293-F295 WeakPolarHBondContact OD1-CB 3.21Å; N293-F295 WeakPolarHBondContact OD1-CD2 3.41Å; N293-F295 PolarHBondContact OD1-N 2.93Å; N293-F295 VanDerWaalsContact OD1-N 3.09Å; F295-K319 HydrophobicContact CB-CB 4.22Å; F295-K319 WeakPolarHBondContact CD1-O 3.18Å; F295-K319 HydrophobicContact CG-CB 4.3Å
296S96.4Very high92.7Very high0 Ų039 Ų390%024%0.236CC..  trans-144.8160.6166.9-56.30000107.2P288 A289 K290 P298 K319 T320 D349P288-S296 PolarHBondContact O-OG 3.4Å; A289-S296 WeakPolarHBondContact CA-OG 3.44Å; K290-S296 PolarHBondContact N-OG 3.24Å; K290-S296 VanDerWaalsContact N-OG 3.09Å; S296-P298 WeakPolarHBondContact O-CD 3.25Å; S296-K319 CarbonylContact O-C 3.35Å; S296-K319 VanDerWaalsContact O-CA 3.27Å; S296-K319 WeakPolarHBondContact O-CA 3.26Å; S296-K319 PolarHBondContact O-N 3.49Å; S296-T320 PolarHBondContact O-N 3.1Å; S296-D349 VanDerWaalsContact CA-OD2 3.3Å; S296-D349 WeakPolarHBondContact CA-OD2 3.22Å; S296-D349 VanDerWaalsContact CB-OD2 3.22Å; S296-D349 WeakPolarHBondContact CB-OD2 3.17Å; S296-D349 PolarHBondContact OG-OD2 3.39Å
297D97.2Very high91.9Very high4 Ų437.5 Ų37.52%0.02123%0.228CC..  trans-10262.8166.7-80.11.7000110.9V316 H317 R318 K319 D349 F350D297-V316 HydrophobicContact CB-CG1 3.95Å; D297-V316 WeakPolarHBondContact O-CG1 3.31Å; D297-H317 CarbonylContact C-O 3.57Å; D297-H317 VanDerWaalsContact C-O 3.26Å; D297-H317 VanDerWaalsContact CA-O 3.25Å; D297-H317 WeakPolarHBondContact CA-O 3.48Å; D297-R318 WeakPolarHBondContact OD1-CA 3.43Å; D297-R318 WeakPolarHBondContact OD1-CB 3.16Å; D297-R318 IonicContact OD1-NE 2.66Å; D297-R318 IonicContact OD2-CZ 3.37Å; D297-R318 IonicContact OD2-NE 3.18Å; D297-R318 PolarHBondContact OD2-NE 3.43Å; D297-R318 IonicContact OD2-NH2 2.62Å; D297-R318 PolarHBondContact OD2-NH2 2.78Å; D297-K319 PolarHBondContact OD1-N 2.77Å; D297-D349 VanDerWaalsContact CA-OD1 3.31Å; D297-D349 WeakPolarHBondContact CA-OD1 3.15Å; D297-D349 PolarHBondContact N-OD1 3.18Å; D297-F350 HydrophobicContact CB-CB 3.99Å; D297-F350 VanDerWaalsContact O-CB 3.29Å; D297-F350 WeakPolarHBondContact O-CB 3.11Å; D297-F350 PolarHBondContact O-N 2.96Å
298P97.9Very high91.1Very high0 Ų043.8 Ų43.80%025%0.252CS..  trans-68.2148.9-165.428.4-40.3000116.1L287 S296 H317 T320 P323 Y348 I359L287-P298 HydrophobicContact CD1-CB 3.69Å; L287-P298 HydrophobicContact CD1-CG 3.91Å; S296-P298 WeakPolarHBondContact O-CD 3.25Å; P298-H317 WeakPolarHBondContact CD-O 3.01Å; P298-H317 PolarHBondContact O-N 2.83Å; P298-T320 WeakPolarHBondContact CD-O 3.26Å; P298-T320 HydrophobicContact CG-CG2 4.23Å; P298-T320 WeakPolarHBondContact CG-O 2.98Å; P298-P323 HydrophobicContact CB-CG 4.17Å; P298-P323 HydrophobicContact CG-CB 3.81Å; P298-P323 HydrophobicContact CG-CG 3.58Å; P298-Y348 CarbonylContact C-O 3.36Å; P298-Y348 VanDerWaalsContact CA-O 3.28Å; P298-Y348 WeakPolarHBondContact CA-O 3.17Å; P298-I359 HydrophobicContact CB-CD1 4.29Å
299Y98.5Very high90.1Very high0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-148.7165.216773.8-77.2000111.5K301 Q313 T314 K315 V316 Y348 D349 F350 H356Y299-K301 HydrophobicContact CE2-CD 4.36Å; Y299-K301 VanDerWaalsContact CE2-CE 3.5Å; Y299-K301 HydrophobicContact CE2-CG 3.9Å; Y299-K301 WeakPolarHBondContact OH-CE 3.41Å; Y299-K301 PolarHBondContact OH-NZ 3.01Å; Y299-Q313 VanDerWaalsContact CD2-CD 3.48Å; Y299-Q313 HydrophobicContact CD2-CG 3.49Å; Y299-Q313 VanDerWaalsContact CD2-CG 3.49Å; Y299-Q313 HydrophobicContact CE2-CG 3.79Å; Y299-T314 WeakPolarHBondContact CA-OG1 3.29Å; Y299-K315 WeakPolarHBondContact CB-O 3.5Å; Y299-V316 HydrophobicContact CD1-CG2 4.11Å; Y299-V316 HydrophobicContact CG-CG2 4.17Å; Y299-Y348 HydrophobicContact CE1-CG 4.39Å; Y299-Y348 VanDerWaalsContact CZ-CB 3.41Å; Y299-Y348 AromaticContact CZ-CG 3.99Å; Y299-Y348 PolarHBondContact N-O 2.83Å; Y299-Y348 PolarHBondContact O-N 2.93Å; Y299-Y348 WeakPolarHBondContact OH-CB 3.38Å; Y299-D349 WeakPolarHBondContact CE1-O 3.05Å; Y299-F350 HydrophobicContact CD1-CB 3.94Å; Y299-F350 HydrophobicContact CE1-CB 4.09Å; Y299-H356 HydrophobicContact CE1-CB 4.44Å; Y299-H356 AromaticContact CE1-ND1 3.66Å; Y299-H356 AromaticContact CZ-ND1 3.49Å; Y299-H356 PolarHBondContact OH-ND1 2.91Å
300V98.3Very high89.6Confident0 Ų054 Ų540%028%0.284CS..EExtended strand (participates in β ladder)trans-122.5129.6-175.1-168.90000110.8I264 I302 Q313 T314 F325 F345 S346 V347I264-V300 HydrophobicContact CD1-CG1 4.19Å; I264-V300 HydrophobicContact CD1-CG2 4.02Å; V300-I302 HydrophobicContact CG1-CG1 4.28Å; V300-Q313 CarbonylContact O-C 3.48Å; V300-Q313 VanDerWaalsContact O-CA 3.3Å; V300-Q313 WeakPolarHBondContact O-CA 3.49Å; V300-T314 HydrophobicContact CB-CG2 3.95Å; V300-T314 HydrophobicContact CG2-CG2 4.36Å; V300-T314 PolarHBondContact N-OG1 3.18Å; V300-T314 PolarHBondContact O-N 3.35Å; V300-F325 HydrophobicContact CG2-CE1 4.33Å; V300-F325 HydrophobicContact CG2-CE2 3.89Å; V300-F325 HydrophobicContact CG2-CZ 3.74Å; V300-F345 HydrophobicContact CG1-CB 4Å; V300-S346 WeakPolarHBondContact CA-O 3.43Å; V300-V347 HydrophobicContact CG1-CG2 4.48Å; V300-V347 HydrophobicContact CG2-CG2 4.26Å
301K96.6Very high89.5Confident31 Ų3156.8 Ų56.814%0.13530%0.296CS..EExtended strand (participates in β ladder)trans-95139.3165.9-61.3176.3-165.5143.40109.3Y299 Y303 F312 Q313 F345 S346 Y348Y299-K301 HydrophobicContact CE2-CD 4.36Å; Y299-K301 VanDerWaalsContact CE2-CE 3.5Å; Y299-K301 HydrophobicContact CE2-CG 3.9Å; Y299-K301 WeakPolarHBondContact OH-CE 3.41Å; Y299-K301 PolarHBondContact OH-NZ 3.01Å; K301-Y303 HydrophobicContact CB-CE2 3.71Å; K301-F312 WeakPolarHBondContact CA-O 3.2Å; K301-Q313 HydrophobicContact CG-CG 4.14Å; K301-F345 WeakPolarHBondContact O-CA 3.49Å; K301-S346 PolarHBondContact N-O 3.2Å; K301-S346 PolarHBondContact O-N 2.83Å; K301-Y348 HydrophobicContact CD-CD2 3.87Å; K301-Y348 HydrophobicContact CD-CE2 3.59Å; K301-Y348 HydrophobicContact CG-CD2 4.15Å; K301-Y348 HydrophobicContact CG-CE2 4.24Å; K301-Y348 VanDerWaalsContact NZ-CZ 3.34Å
302I96.8Very high90Very high0 Ų057 Ų570%030%0.295CS..EExtended strand (participates in β ladder)trans-128.2127.4-172.9-48.9170.1000109.7I281 V300 K311 F312 F329 F331 L343 H344 F345I281-I302 HydrophobicContact CD1-CD1 3.96Å; I281-I302 HydrophobicContact CG1-CD1 3.65Å; V300-I302 HydrophobicContact CG1-CG1 4.28Å; I302-K311 CarbonylContact O-C 3.52Å; I302-K311 VanDerWaalsContact O-CA 3.24Å; I302-K311 WeakPolarHBondContact O-CA 3.14Å; I302-F312 HydrophobicContact CB-CB 4.37Å; I302-F312 PolarHBondContact N-O 2.69Å; I302-F312 PolarHBondContact O-N 3.07Å; I302-F329 HydrophobicContact CD1-CD2 3.33Å; I302-F329 HydrophobicContact CD1-CE2 3.5Å; I302-F329 VanDerWaalsContact CD1-CE2 3.5Å; I302-F329 HydrophobicContact CD1-CG 4Å; I302-F329 HydrophobicContact CD1-CZ 4.28Å; I302-F331 HydrophobicContact CG2-CE2 3.78Å; I302-F331 HydrophobicContact CG2-CZ 3.87Å; I302-L343 HydrophobicContact CG2-CD1 3.88Å; I302-H344 WeakPolarHBondContact CA-O 3.44Å; I302-F345 HydrophobicContact CB-CD1 4.3Å; I302-F345 HydrophobicContact CG1-CD1 3.98Å; I302-F345 HydrophobicContact CG1-CE1 4.28Å; I302-F345 HydrophobicContact CG2-CD1 3.83Å; I302-F345 HydrophobicContact CG2-CE1 3.72Å
303Y93.4Very high90.7Very high35 Ų3556.2 Ų56.214%0.13727%0.272CS..EExtended strand (participates in β ladder)trans-129.6151-179.1-50.9-100.9000110.8K301 K311 H344K301-Y303 HydrophobicContact CB-CE2 3.71Å; Y303-K311 HydrophobicContact CD1-CB 3.62Å; Y303-K311 HydrophobicContact CE1-CB 3.52Å; Y303-K311 HydrophobicContact CE1-CD 3.84Å; Y303-K311 HydrophobicContact CE1-CG 4.31Å; Y303-K311 HydrophobicContact CG-CB 4.36Å; Y303-H344 AromaticContact CD2-ND1 3.98Å; Y303-H344 PolarHBondContact N-O 3.48Å; Y303-H344 PolarHBondContact O-N 3.35Å
304L92.6Very high91.4Very high7 Ų753.4 Ų53.44%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-112.684.9172.7-173.865.6000109.8L277 D307 F331 V333 R341 K342 L343 L367L277-L304 HydrophobicContact CD2-CD1 3.95Å; L304-D307 WeakPolarHBondContact O-CB 3.32Å; L304-D307 PolarHBondContact O-N 2.9Å; L304-D307 VanDerWaalsContact O-N 3.07Å; L304-F331 HydrophobicContact CB-CD1 3.58Å; L304-F331 HydrophobicContact CB-CE1 3.69Å; L304-F331 HydrophobicContact CB-CG 4.04Å; L304-F331 HydrophobicContact CB-CZ 4.22Å; L304-F331 HydrophobicContact CD2-CB 3.75Å; L304-F331 HydrophobicContact CD2-CD1 4.16Å; L304-F331 HydrophobicContact CD2-CG 4.05Å; L304-V333 HydrophobicContact CD2-CB 3.93Å; L304-V333 HydrophobicContact CD2-CG1 3.95Å; L304-V333 HydrophobicContact CD2-CG2 4.14Å; L304-R341 HydrophobicContact CD1-CB 3.86Å; L304-R341 HydrophobicContact CG-CB 4.18Å; L304-R341 HydrophobicContact CG-CG 4.42Å; L304-K342 CarbonylContact C-O 3.45Å; L304-L343 HydrophobicContact CD1-CD1 4.32Å; L304-L367 HydrophobicContact CD1-CD1 3.81Å
305L85.9Confident91.8Very high30 Ų3058.1 Ų58.116%0.15727%0.265CS..EExtended strand (participates in β ladder)trans-57.3142.6-176.1-60-177.5000111.2R308 R341 K342 H344L305-R308 HydrophobicContact CD2-CG 3.66Å; L305-R341 WeakPolarHBondContact O-CA 3.38Å; L305-R341 WeakPolarHBondContact O-CD 3.28Å; L305-K342 HydrophobicContact CB-CB 4.33Å; L305-K342 WeakPolarHBondContact CB-O 3.36Å; L305-K342 PolarHBondContact N-O 2.93Å; L305-K342 PolarHBondContact O-N 3.37Å; L305-K342 VanDerWaalsContact O-N 3.16Å; L305-H344 HydrophobicContact CD1-CB 3.77Å; L305-H344 HydrophobicContact CD2-CB 4.46Å; L305-H344 HydrophobicContact CG-CB 3.84Å
306P83.5Confident92Very high101 Ų10155.8 Ų55.866%0.65626%0.259SS*.THydrogen-bonded Turncis-78.9-210.231.3-36.8000116.2R308P306-R308 PolarHBondContact O-N 2.83Å; P306-R308 VanDerWaalsContact O-N 3.17Å
307D80.4Confident92Very high56 Ų5658.2 Ų58.230%0.29927%0.27SS..EExtended strand (participates in β ladder)trans-71.7111.5177.7-172.50.5000111.5L304 K309 K310L304-D307 WeakPolarHBondContact O-CB 3.32Å; L304-D307 PolarHBondContact O-N 2.9Å; L304-D307 VanDerWaalsContact O-N 3.07Å; D307-K309 WeakPolarHBondContact OD1-CA 3.48Å; D307-K309 WeakPolarHBondContact OD1-CB 3.34Å; D307-K309 PolarHBondContact OD1-N 2.96Å; D307-K310 PolarHBondContact OD1-N 2.87Å; D307-K310 WeakPolarHBondContact OD2-CB 3.46Å
308R79.4Confident92Very high137 Ų13765.6 Ų65.652%0.51730%0.298SS..EExtended strand (participates in β ladder)trans-100.8-5.6171.7-65.4-172.6-179.7-145.25.4113.4L305 P306 E389L305-R308 HydrophobicContact CD2-CG 3.66Å; P306-R308 PolarHBondContact O-N 2.83Å; P306-R308 VanDerWaalsContact O-N 3.17Å; R308-E389 IonicContact CZ-OE1 2.69Å; R308-E389 IonicContact CZ-OE2 3.2Å; R308-E389 VanDerWaalsContact CZ-OE2 3.26Å; R308-E389 IonicContact NH1-OE1 3.67Å; R308-E389 IonicContact NH1-OE2 2.76Å; R308-E389 PolarHBondContact NH1-OE2 3.4Å; R308-E389 VanDerWaalsContact NH2-CD 3.27Å; R308-E389 IonicContact NH2-OE1 3.06Å; R308-E389 PolarHBondContact NH2-OE1 3.16Å; R308-E389 IonicContact NH2-OE2 2.64Å; R308-E389 PolarHBondContact NH2-OE2 2.85Å
309K73.7Confident91.9Very high201 Ų20171.7 Ų71.787%0.87432%0.324SS*.EExtended strand (participates in β ladder)trans-80.6-50.4176.7-64-178.7179.3178.70110.5D307 K311D307-K309 WeakPolarHBondContact OD1-CA 3.48Å; D307-K309 WeakPolarHBondContact OD1-CB 3.34Å; D307-K309 PolarHBondContact OD1-N 2.96Å; K309-K311 PolarHBondContact O-N 2.97Å
310K81.8Confident91.9Very high94 Ų9473.4 Ų73.441%0.40934%0.335SS..EExtended strand (participates in β ladder)trans-78.5115175.9-170.6173.9179.5174.60110.1D307 F331D307-K310 PolarHBondContact OD1-N 2.87Å; D307-K310 WeakPolarHBondContact OD2-CB 3.46Å; K310-F331 HydrophobicContact CD-CD1 4.49Å
311K90.2Very high91.8Very high123 Ų12375.4 Ų75.454%0.53535%0.345SS..EExtended strand (participates in β ladder)trans-134.9145.4177.870.7-165.6179.4-168.40111.2I302 Y303 K309I302-K311 CarbonylContact O-C 3.52Å; I302-K311 VanDerWaalsContact O-CA 3.24Å; I302-K311 WeakPolarHBondContact O-CA 3.14Å; Y303-K311 HydrophobicContact CD1-CB 3.62Å; Y303-K311 HydrophobicContact CE1-CB 3.52Å; Y303-K311 HydrophobicContact CE1-CD 3.84Å; Y303-K311 HydrophobicContact CE1-CG 4.31Å; Y303-K311 HydrophobicContact CG-CB 4.36Å; K309-K311 PolarHBondContact O-N 2.97Å
312F96.5Very high91.9Very high62 Ų6277.2 Ų77.227%0.27236%0.356SS..EExtended strand (participates in β ladder)trans-105.7164.5163.8-66.3-71.9000110.2K301 I302 F329 Q330 F331K301-F312 WeakPolarHBondContact CA-O 3.2Å; I302-F312 HydrophobicContact CB-CB 4.37Å; I302-F312 PolarHBondContact N-O 2.69Å; I302-F312 PolarHBondContact O-N 3.07Å; F312-F329 HydrophobicContact CB-CB 4.24Å; F312-F329 HydrophobicContact CB-CD1 3.51Å; F312-F329 HydrophobicContact CB-CE1 4.03Å; F312-F329 HydrophobicContact CB-CG 3.93Å; F312-F329 AromaticContact CD1-CD1 3.91Å; F312-F329 HydrophobicContact CD1-CD1 3.91Å; F312-F329 HydrophobicContact CD2-CB 3.87Å; F312-F329 HydrophobicContact CD2-CD1 4.48Å; F312-F329 HydrophobicContact CD2-CG 4.48Å; F312-F329 HydrophobicContact CE2-CB 4.35Å; F312-F329 HydrophobicContact CG-CB 3.98Å; F312-F329 AromaticContact CG-CD1 3.73Å; F312-F329 HydrophobicContact CG-CD1 3.73Å; F312-F329 HydrophobicContact CG-CG 4.13Å; F312-Q330 VanDerWaalsContact CE2-O 3.25Å; F312-Q330 WeakPolarHBondContact CE2-O 3.31Å; F312-Q330 VanDerWaalsContact CZ-O 3.23Å; F312-Q330 WeakPolarHBondContact CZ-O 3.15Å; F312-F331 HydrophobicContact CD2-CD1 4.43Å; F312-F331 HydrophobicContact CD2-CD2 4.33Å; F312-F331 AromaticContact CD2-CE1 3.87Å; F312-F331 HydrophobicContact CD2-CE1 3.87Å; F312-F331 AromaticContact CD2-CE2 3.75Å; F312-F331 HydrophobicContact CD2-CE2 3.75Å; F312-F331 AromaticContact CD2-CZ 3.51Å; F312-F331 HydrophobicContact CD2-CZ 3.51Å; F312-F331 HydrophobicContact CE2-CD1 4.03Å; F312-F331 HydrophobicContact CE2-CD2 4.18Å; F312-F331 AromaticContact CE2-CE1 3.91Å; F312-F331 HydrophobicContact CE2-CE1 3.91Å; F312-F331 HydrophobicContact CE2-CE2 4.07Å; F312-F331 HydrophobicContact CE2-CG 4.17Å; F312-F331 AromaticContact CE2-CZ 3.94Å; F312-F331 HydrophobicContact CE2-CZ 3.94Å
313Q97.3Very high92Very high95 Ų9577.3 Ų77.344%0.44436%0.357SS..EExtended strand (participates in β ladder)trans-143.6139.9178.7-161.3-177.8-76.800109.9Y299 V300 K301 F329Y299-Q313 VanDerWaalsContact CD2-CD 3.48Å; Y299-Q313 HydrophobicContact CD2-CG 3.49Å; Y299-Q313 VanDerWaalsContact CD2-CG 3.49Å; Y299-Q313 HydrophobicContact CE2-CG 3.79Å; V300-Q313 CarbonylContact O-C 3.48Å; V300-Q313 VanDerWaalsContact O-CA 3.3Å; V300-Q313 WeakPolarHBondContact O-CA 3.49Å; K301-Q313 HydrophobicContact CG-CG 4.14Å; Q313-F329 WeakPolarHBondContact O-CE1 3.1Å
314T98.6Very high92.2Very high6 Ų679.2 Ų79.24%0.03737%0.372CS..PPolyproline II helixtrans-74.1168.9167.867.40000111.3I281 Y299 V300 F325 E327 F329I281-T314 HydrophobicContact CB-CG2 4.41Å; I281-T314 HydrophobicContact CG1-CG2 4.37Å; Y299-T314 WeakPolarHBondContact CA-OG1 3.29Å; V300-T314 HydrophobicContact CB-CG2 3.95Å; V300-T314 HydrophobicContact CG2-CG2 4.36Å; V300-T314 PolarHBondContact N-OG1 3.18Å; V300-T314 PolarHBondContact O-N 3.35Å; T314-F325 HydrophobicContact CG2-CB 4.39Å; T314-F325 HydrophobicContact CG2-CD1 3.95Å; T314-F325 HydrophobicContact CG2-CE1 4.47Å; T314-F325 HydrophobicContact CG2-CG 4.18Å; T314-E327 WeakPolarHBondContact CA-OE1 3.29Å; T314-E327 WeakPolarHBondContact CB-OE1 3.37Å; T314-F329 HydrophobicContact CG2-CE2 4.1Å; T314-F329 HydrophobicContact CG2-CZ 4.04Å
315K98.1Very high92.5Very high141 Ų14179.5 Ų79.561%0.61337%0.373SS*.PPolyproline II helixtrans-63.1158.7159.9-68.6163.4-168.9163.10110.8Y299 E327Y299-K315 WeakPolarHBondContact CB-O 3.5Å; K315-E327 VanDerWaalsContact CD-OE2 3.31Å; K315-E327 WeakPolarHBondContact CD-OE2 3.36Å; K315-E327 WeakPolarHBondContact CE-OE2 3.38Å; K315-E327 WeakPolarHBondContact CG-OE2 3.25Å; K315-E327 PolarHBondContact N-OE1 3.47Å; K315-E327 IonicContact NZ-OE2 3.34Å
316V98.2Very high93Very high49 Ų4982.1 Ų82.130%0.29739%0.387SS..PPolyproline II helixtrans-83.1124170.8173.70000108.6D297 Y299 R318 F350D297-V316 HydrophobicContact CB-CG1 3.95Å; D297-V316 WeakPolarHBondContact O-CG1 3.31Å; Y299-V316 HydrophobicContact CD1-CG2 4.11Å; Y299-V316 HydrophobicContact CG-CG2 4.17Å; V316-R318 HydrophobicContact CG1-CG 4.44Å; V316-F350 HydrophobicContact CB-CB 4.36Å; V316-F350 HydrophobicContact CB-CG 4.4Å; V316-F350 HydrophobicContact CG1-CB 3.6Å; V316-F350 HydrophobicContact CG1-CD1 3.9Å; V316-F350 HydrophobicContact CG1-CG 3.82Å; V316-F350 HydrophobicContact CG2-CB 3.78Å; V316-F350 HydrophobicContact CG2-CD1 4.35Å; V316-F350 HydrophobicContact CG2-CD2 3.83Å; V316-F350 HydrophobicContact CG2-CG 3.69Å
317H97.9Very high93.8Very high51 Ų5179 Ų7924%0.23636%0.364CS..PPolyproline II helixtrans-102.7116.7173.4-75.2-103.9000108.8D297 P298 T320 P323 V324 F325D297-H317 CarbonylContact C-O 3.57Å; D297-H317 VanDerWaalsContact C-O 3.26Å; D297-H317 VanDerWaalsContact CA-O 3.25Å; D297-H317 WeakPolarHBondContact CA-O 3.48Å; P298-H317 WeakPolarHBondContact CD-O 3.01Å; P298-H317 PolarHBondContact O-N 2.83Å; H317-T320 HydrophobicContact CB-CG2 3.84Å; H317-P323 HydrophobicContact CB-CB 3.85Å; H317-V324 PolarHBondContact CE1-O 2.93Å; H317-F325 AromaticContact CD2-CD1 3.36Å; H317-F325 WeakPolarHBondContact CD2-CD1 3.49Å; H317-F325 AromaticContact CD2-CE1 3.58Å; H317-F325 AromaticContact NE2-CD1 3.54Å
318R96.9Very high94.6Very high158 Ų15880 Ų8060%0.59637%0.372SS*.PPolyproline II helixtrans-81144.2-170.4-49.9-157.479.6140.412.8113.3D297 V316 T320D297-R318 WeakPolarHBondContact OD1-CA 3.43Å; D297-R318 WeakPolarHBondContact OD1-CB 3.16Å; D297-R318 IonicContact OD1-NE 2.66Å; D297-R318 IonicContact OD2-CZ 3.37Å; D297-R318 IonicContact OD2-NE 3.18Å; D297-R318 PolarHBondContact OD2-NE 3.43Å; D297-R318 IonicContact OD2-NH2 2.62Å; D297-R318 PolarHBondContact OD2-NH2 2.78Å; V316-R318 HydrophobicContact CG1-CG 4.44Å; R318-T320 PolarHBondContact O-N 3.31Å
319K95.9Very high95.4Very high129 Ų12974.5 Ų74.556%0.56135%0.352SS*.SBendtrans46.254.5172.7-60.9-173.2175.5-173.20113.5F295 S296 D297F295-K319 HydrophobicContact CB-CB 4.22Å; F295-K319 WeakPolarHBondContact CD1-O 3.18Å; F295-K319 HydrophobicContact CG-CB 4.3Å; S296-K319 CarbonylContact O-C 3.35Å; S296-K319 VanDerWaalsContact O-CA 3.27Å; S296-K319 WeakPolarHBondContact O-CA 3.26Å; S296-K319 PolarHBondContact O-N 3.49Å; D297-K319 PolarHBondContact OD1-N 2.77Å
320T97.6Very high96.5Very high36 Ų3670 Ų7022%0.22133%0.334CS..  trans-146.8133.2178.9-178.10000112.8S296 P298 H317 R318 N322 P323S296-T320 PolarHBondContact O-N 3.1Å; P298-T320 WeakPolarHBondContact CD-O 3.26Å; P298-T320 HydrophobicContact CG-CG2 4.23Å; P298-T320 WeakPolarHBondContact CG-O 2.98Å; H317-T320 HydrophobicContact CB-CG2 3.84Å; R318-T320 PolarHBondContact O-N 3.31Å; T320-N322 VanDerWaalsContact C-N 3.31Å; T320-N322 PolarHBondContact OG1-N 2.88Å; T320-N322 PolarHBondContact OG1-O 2.66Å; T320-P323 HydrophobicContact CG2-CB 3.95Å
321L97.6Very high97.1Very high41 Ų4165.6 Ų65.622%0.21532%0.315CS..SBendtrans-90-1.1170.3-55.8-176.1000112.3D286 L287 A289D286-L321 PolarHBondContact N-O 2.85Å; L287-L321 HydrophobicContact CB-CB 4.43Å; L287-L321 WeakPolarHBondContact CB-O 3.16Å; L287-L321 WeakPolarHBondContact CG-O 3.32Å; L287-L321 PolarHBondContact N-O 3.18Å; L287-L321 WeakPolarHBondContact O-CB 3.1Å; L287-L321 WeakPolarHBondContact O-CD1 3.24Å; L287-L321 WeakPolarHBondContact O-CD2 3.49Å; A289-L321 HydrophobicContact CB-CD1 4.43Å; A289-L321 HydrophobicContact CB-CD2 4.21Å
322N98Very high97.3Very high70 Ų7062 Ų6237%0.37431%0.313SS..SBendtrans-135.358.7-175.8-66.2-83.3000110.9A284 L285 D286 T320A284-N322 CarbonylContact O-C 3.57Å; A284-N322 WeakPolarHBondContact O-CA 3.5Å; L285-N322 VanDerWaalsContact CA-OD1 3.23Å; L285-N322 WeakPolarHBondContact CA-OD1 3.36Å; L285-N322 HydrophobicContact CD2-CB 4.16Å; L285-N322 VanDerWaalsContact CD2-OD1 3.22Å; L285-N322 WeakPolarHBondContact CD2-OD1 3.36Å; D286-N322 PolarHBondContact N-OD1 2.85Å; T320-N322 VanDerWaalsContact C-N 3.31Å; T320-N322 PolarHBondContact OG1-N 2.88Å; T320-N322 PolarHBondContact OG1-O 2.66Å
323P98.2Very high97.1Very high1 Ų159.3 Ų59.31%0.00630%0.301CS..  trans-68.4141.7-174.729.7-37.8000112.6K283 A284 L287 P298 H317 T320 F325K283-P323 CarbonylContact C-O 3.54Å; K283-P323 WeakPolarHBondContact CA-O 3.43Å; K283-P323 WeakPolarHBondContact CB-O 3.46Å; A284-P323 HydrophobicContact CB-CG 3.94Å; A284-P323 PolarHBondContact N-O 2.91Å; L287-P323 HydrophobicContact CD1-CG 3.86Å; P298-P323 HydrophobicContact CB-CG 4.17Å; P298-P323 HydrophobicContact CG-CB 3.81Å; P298-P323 HydrophobicContact CG-CG 3.58Å; H317-P323 HydrophobicContact CB-CB 3.85Å; T320-P323 HydrophobicContact CG2-CB 3.95Å; P323-F325 HydrophobicContact CB-CE1 3.98Å; P323-F325 HydrophobicContact CB-CE2 3.87Å; P323-F325 HydrophobicContact CB-CZ 3.58Å; P323-F325 HydrophobicContact CG-CE1 4.32Å; P323-F325 HydrophobicContact CG-CE2 3.58Å; P323-F325 HydrophobicContact CG-CZ 3.43Å; P323-F325 VanDerWaalsContact CG-CZ 3.43Å
324V98.4Very high96.8Very high76 Ų7656.7 Ų56.746%0.46129%0.293SS..  trans-11794.3176.9-178.70000109.2L282 K283 H317 N326L282-V324 CarbonylContact O-C 3.51Å; K283-V324 HydrophobicContact CB-CB 4.37Å; K283-V324 HydrophobicContact CB-CG1 4.49Å; K283-V324 HydrophobicContact CB-CG2 4.03Å; K283-V324 HydrophobicContact CD-CG2 4.48Å; H317-V324 PolarHBondContact CE1-O 2.93Å; V324-N326 WeakPolarHBondContact CG1-ND2 3.37Å
325F98.2Very high96.5Very high13 Ų1359.4 Ų59.46%0.05731%0.307CS..  trans-76.8-54.5-174.1-54-78.8000112.6I281 L282 A284 V300 T314 H317 P323 E327I281-F325 HydrophobicContact CB-CB 4.47Å; I281-F325 HydrophobicContact CG2-CB 4.16Å; I281-F325 HydrophobicContact CG2-CD2 3.58Å; I281-F325 HydrophobicContact CG2-CE2 4.26Å; I281-F325 HydrophobicContact CG2-CG 4.08Å; L282-F325 PolarHBondContact O-N 2.71Å; A284-F325 HydrophobicContact CB-CE2 4.39Å; V300-F325 HydrophobicContact CG2-CE1 4.33Å; V300-F325 HydrophobicContact CG2-CE2 3.89Å; V300-F325 HydrophobicContact CG2-CZ 3.74Å; T314-F325 HydrophobicContact CG2-CB 4.39Å; T314-F325 HydrophobicContact CG2-CD1 3.95Å; T314-F325 HydrophobicContact CG2-CE1 4.47Å; T314-F325 HydrophobicContact CG2-CG 4.18Å; H317-F325 AromaticContact CD2-CD1 3.36Å; H317-F325 WeakPolarHBondContact CD2-CD1 3.49Å; H317-F325 AromaticContact CD2-CE1 3.58Å; H317-F325 AromaticContact NE2-CD1 3.54Å; P323-F325 HydrophobicContact CB-CE1 3.98Å; P323-F325 HydrophobicContact CB-CE2 3.87Å; P323-F325 HydrophobicContact CB-CZ 3.58Å; P323-F325 HydrophobicContact CG-CE1 4.32Å; P323-F325 HydrophobicContact CG-CE2 3.58Å; P323-F325 HydrophobicContact CG-CZ 3.43Å; P323-F325 VanDerWaalsContact CG-CZ 3.43Å; F325-E327 PolarHBondContact O-N 3.37Å
326N97.5Very high96.1Very high85 Ų8558.6 Ų58.646%0.45531%0.309SS..  trans54.618.8-171.1-75.9-51.1000116.5K280 I281 L282 V324K280-N326 VanDerWaalsContact CE-O 3.29Å; K280-N326 WeakPolarHBondContact CE-O 3.42Å; I281-N326 CarbonylContact O-C 3.56Å; I281-N326 WeakPolarHBondContact O-CA 3.44Å; I281-N326 PolarHBondContact O-N 3.15Å; L282-N326 PolarHBondContact O-N 2.68Å; V324-N326 WeakPolarHBondContact CG1-ND2 3.37Å
327E98.4Very high95.8Very high36 Ų3659.7 Ų59.717%0.16831%0.311CS..EExtended strand (participates in β ladder)trans-86.9144.6-176-64.5-173.1-75.600112.9K280 I281 T314 K315 F325 F329K280-E327 CarbonylContact C-O 3.57Å; K280-E327 VanDerWaalsContact CA-O 3.31Å; K280-E327 WeakPolarHBondContact CA-O 3.2Å; I281-E327 PolarHBondContact N-O 3.04Å; I281-E327 PolarHBondContact O-N 3.27Å; I281-E327 VanDerWaalsContact O-N 3.11Å; T314-E327 WeakPolarHBondContact CA-OE1 3.29Å; T314-E327 WeakPolarHBondContact CB-OE1 3.37Å; K315-E327 VanDerWaalsContact CD-OE2 3.31Å; K315-E327 WeakPolarHBondContact CD-OE2 3.36Å; K315-E327 WeakPolarHBondContact CE-OE2 3.38Å; K315-E327 WeakPolarHBondContact CG-OE2 3.25Å; K315-E327 PolarHBondContact N-OE1 3.47Å; K315-E327 IonicContact NZ-OE2 3.34Å; F325-E327 PolarHBondContact O-N 3.37Å; E327-F329 HydrophobicContact CB-CE2 3.75Å; E327-F329 HydrophobicContact CB-CZ 3.63Å
328T97.4Very high95.4Very high75 Ų7557.3 Ų57.346%0.4630%0.3SS..EExtended strand (participates in β ladder)trans-121.1134.1-174.8-50.80000111.2V278 V279 K280V278-T328 HydrophobicContact CG1-CG2 3.61Å; V279-T328 CarbonylContact O-C 3.51Å; V279-T328 WeakPolarHBondContact O-CA 3.1Å; K280-T328 HydrophobicContact CB-CG2 4.26Å; K280-T328 WeakPolarHBondContact CG-OG1 3.44Å
329F97.3Very high94.9Very high23 Ų2356 Ų5610%0.10130%0.3CS..EExtended strand (participates in β ladder)trans-130156.6-174.4-51.7-80.6000110.4V279 I281 I302 F312 Q313 T314 E327V279-F329 PolarHBondContact N-O 3.19Å; V279-F329 PolarHBondContact O-N 3.01Å; I281-F329 HydrophobicContact CG1-CD2 4.4Å; I281-F329 HydrophobicContact CG1-CE2 4.08Å; I302-F329 HydrophobicContact CD1-CD2 3.33Å; I302-F329 HydrophobicContact CD1-CE2 3.5Å; I302-F329 VanDerWaalsContact CD1-CE2 3.5Å; I302-F329 HydrophobicContact CD1-CG 4Å; I302-F329 HydrophobicContact CD1-CZ 4.28Å; F312-F329 HydrophobicContact CB-CB 4.24Å; F312-F329 HydrophobicContact CB-CD1 3.51Å; F312-F329 HydrophobicContact CB-CE1 4.03Å; F312-F329 HydrophobicContact CB-CG 3.93Å; F312-F329 AromaticContact CD1-CD1 3.91Å; F312-F329 HydrophobicContact CD1-CD1 3.91Å; F312-F329 HydrophobicContact CD2-CB 3.87Å; F312-F329 HydrophobicContact CD2-CD1 4.48Å; F312-F329 HydrophobicContact CD2-CG 4.48Å; F312-F329 HydrophobicContact CE2-CB 4.35Å; F312-F329 HydrophobicContact CG-CB 3.98Å; F312-F329 AromaticContact CG-CD1 3.73Å; F312-F329 HydrophobicContact CG-CD1 3.73Å; F312-F329 HydrophobicContact CG-CG 4.13Å; Q313-F329 WeakPolarHBondContact O-CE1 3.1Å; T314-F329 HydrophobicContact CG2-CE2 4.1Å; T314-F329 HydrophobicContact CG2-CZ 4.04Å; E327-F329 HydrophobicContact CB-CE2 3.75Å; E327-F329 HydrophobicContact CB-CZ 3.63Å
330Q95.8Very high94.5Very high105 Ų10553.1 Ų53.149%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-135.5118.4-173.3-65.9176.3-8.600111V278 F312V278-Q330 HydrophobicContact CG2-CG 4.45Å; F312-Q330 VanDerWaalsContact CE2-O 3.25Å; F312-Q330 WeakPolarHBondContact CE2-O 3.31Å; F312-Q330 VanDerWaalsContact CZ-O 3.23Å; F312-Q330 WeakPolarHBondContact CZ-O 3.15Å
331F94.8Very high94.1Very high3 Ų353.9 Ų53.91%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-102.5112.8169.5-66.3-91.5000109Q276 L277 V279 I302 L304 K310 F312 V333 L343Q276-F331 CarbonylContact C-O 3.53Å; Q276-F331 VanDerWaalsContact CA-O 3.28Å; Q276-F331 WeakPolarHBondContact CA-O 3.29Å; L277-F331 HydrophobicContact CB-CB 4.43Å; L277-F331 PolarHBondContact N-O 3.43Å; L277-F331 PolarHBondContact O-N 2.94Å; V279-F331 HydrophobicContact CG2-CD2 4.21Å; V279-F331 HydrophobicContact CG2-CE2 4.33Å; I302-F331 HydrophobicContact CG2-CE2 3.78Å; I302-F331 HydrophobicContact CG2-CZ 3.87Å; L304-F331 HydrophobicContact CB-CD1 3.58Å; L304-F331 HydrophobicContact CB-CE1 3.69Å; L304-F331 HydrophobicContact CB-CG 4.04Å; L304-F331 HydrophobicContact CB-CZ 4.22Å; L304-F331 HydrophobicContact CD2-CB 3.75Å; L304-F331 HydrophobicContact CD2-CD1 4.16Å; L304-F331 HydrophobicContact CD2-CG 4.05Å; K310-F331 HydrophobicContact CD-CD1 4.49Å; F312-F331 HydrophobicContact CD2-CD1 4.43Å; F312-F331 HydrophobicContact CD2-CD2 4.33Å; F312-F331 AromaticContact CD2-CE1 3.87Å; F312-F331 HydrophobicContact CD2-CE1 3.87Å; F312-F331 AromaticContact CD2-CE2 3.75Å; F312-F331 HydrophobicContact CD2-CE2 3.75Å; F312-F331 AromaticContact CD2-CZ 3.51Å; F312-F331 HydrophobicContact CD2-CZ 3.51Å; F312-F331 HydrophobicContact CE2-CD1 4.03Å; F312-F331 HydrophobicContact CE2-CD2 4.18Å; F312-F331 AromaticContact CE2-CE1 3.91Å; F312-F331 HydrophobicContact CE2-CE1 3.91Å; F312-F331 HydrophobicContact CE2-CE2 4.07Å; F312-F331 HydrophobicContact CE2-CG 4.17Å; F312-F331 AromaticContact CE2-CZ 3.94Å; F312-F331 HydrophobicContact CE2-CZ 3.94Å; F331-V333 PolarHBondContact O-N 3.06Å; F331-L343 HydrophobicContact CD2-CD1 4.41Å; F331-L343 HydrophobicContact CE2-CD1 3.91Å; F331-L343 HydrophobicContact CZ-CD1 4.49Å
332G93.9Very high93.8Very high48 Ų4856.2 Ų56.250%0.49530%0.303SS..EExtended strand (participates in β ladder)trans-62.6121.8161.900000109.4E275E275-G332 WeakPolarHBondContact O-CA 3.48Å
333V92.1Very high93.7Very high4 Ų452.9 Ų52.92%0.02429%0.285CS..  trans-161.1118.5-177.756.70000108.1Y270 E275 L277 L304 F331 E337 L338 R341Y270-V333 HydrophobicContact CE2-CG1 4.39Å; Y270-V333 WeakPolarHBondContact CE2-O 3.35Å; Y270-V333 PolarHBondContact OH-O 3.46Å; E275-V333 PolarHBondContact O-N 3.21Å; L277-V333 HydrophobicContact CB-CG1 3.81Å; L304-V333 HydrophobicContact CD2-CB 3.93Å; L304-V333 HydrophobicContact CD2-CG1 3.95Å; L304-V333 HydrophobicContact CD2-CG2 4.14Å; F331-V333 PolarHBondContact O-N 3.06Å; V333-E337 HydrophobicContact CG2-CB 4.1Å; V333-L338 HydrophobicContact CG1-CD1 4.24Å; V333-R341 HydrophobicContact CG2-CG 4.08Å
334P92.6Very high93.5Very high41 Ų4153.5 Ų53.527%0.26629%0.288SS..  trans-58.5148.1177.7-29.338.4000113.3N336 E337 L338P334-N336 VanDerWaalsContact C-N 3.28Å; P334-N336 WeakPolarHBondContact CB-OD1 3.26Å; P334-N336 PolarHBondContact O-N 2.95Å; P334-E337 WeakPolarHBondContact O-CB 3.41Å; P334-E337 PolarHBondContact O-N 3.47Å; P334-L338 PolarHBondContact O-N 3.2Å
335L90.9Very high93.4Very high63 Ų6349.9 Ų49.933%0.3327%0.267SS..THydrogen-bonded Turntrans-62.4-36.4-173.618064.6000112.2Y270 F272 E337 L338 L368Y270-L335 HydrophobicContact CD1-CD1 3.98Å; Y270-L335 HydrophobicContact CE1-CB 3.95Å; Y270-L335 HydrophobicContact CE1-CD1 3.81Å; Y270-L335 HydrophobicContact CE1-CG 4.35Å; Y270-L335 PolarHBondContact OH-N 3.33Å; F272-L335 HydrophobicContact CD1-CD2 4.04Å; F272-L335 HydrophobicContact CE1-CD1 4.05Å; F272-L335 HydrophobicContact CE1-CD2 3.8Å; L335-E337 VanDerWaalsContact C-N 3.29Å; L335-E337 PolarHBondContact O-N 3.31Å; L335-L338 HydrophobicContact CD1-CD2 4.29Å; L335-L338 WeakPolarHBondContact O-CB 3.42Å; L335-L338 PolarHBondContact O-N 3.02Å; L335-L368 HydrophobicContact CD1-CD2 3.7Å
336N91.1Very high93.3Very high124 Ų12449.5 Ų49.566%0.66327%0.265SS*.THydrogen-bonded Turntrans-67.1-26.9177.363.8-18.7000112.8P334 H339P334-N336 VanDerWaalsContact C-N 3.28Å; P334-N336 WeakPolarHBondContact CB-OD1 3.26Å; P334-N336 PolarHBondContact O-N 2.95Å; N336-H339 PolarHBondContact O-CE1 2.79Å; N336-H339 PolarHBondContact O-ND1 2.95Å
337E90.6Very high93.2Very high72 Ų7245.4 Ų45.434%0.33624%0.244SC..THydrogen-bonded Turntrans-77.3-27.1172.9-72.8-168.5-146.700113.1V333 P334 L335 H339 S340 R341V333-E337 HydrophobicContact CG2-CB 4.1Å; P334-E337 WeakPolarHBondContact O-CB 3.41Å; P334-E337 PolarHBondContact O-N 3.47Å; L335-E337 VanDerWaalsContact C-N 3.29Å; L335-E337 PolarHBondContact O-N 3.31Å; E337-H339 PolarHBondContact O-N 3.09Å; E337-S340 WeakPolarHBondContact O-CB 3.32Å; E337-S340 PolarHBondContact O-N 2.86Å; E337-S340 PolarHBondContact O-OG 3.23Å; E337-R341 IonicContact OE2-CZ 2.7Å; E337-R341 IonicContact OE2-NE 2.97Å; E337-R341 PolarHBondContact OE2-NE 3.17Å; E337-R341 IonicContact OE2-NH2 2.62Å; E337-R341 PolarHBondContact OE2-NH2 2.73Å
338L89.8Confident93.1Very high0 Ų045.9 Ų45.90%024%0.244CC..G310 helixtrans-57.8-29.8-164.3-171.559.7000114.1Y270 L277 V333 P334 L335 S340 R341 L367 L368Y270-L338 HydrophobicContact CD2-CD2 3.79Å; Y270-L338 HydrophobicContact CE2-CD2 4.23Å; Y270-L338 HydrophobicContact CG-CD2 4.29Å; L277-L338 HydrophobicContact CD2-CD1 4.34Å; V333-L338 HydrophobicContact CG1-CD1 4.24Å; P334-L338 PolarHBondContact O-N 3.2Å; L335-L338 HydrophobicContact CD1-CD2 4.29Å; L335-L338 WeakPolarHBondContact O-CB 3.42Å; L335-L338 PolarHBondContact O-N 3.02Å; L338-S340 PolarHBondContact O-N 2.91Å; L338-R341 PolarHBondContact O-N 2.91Å; L338-L367 HydrophobicContact CD1-CB 3.65Å; L338-L367 HydrophobicContact CD1-CD1 3.92Å; L338-L367 HydrophobicContact CD1-CG 4.46Å; L338-L367 HydrophobicContact CD2-CB 4.44Å; L338-L367 HydrophobicContact CG-CB 3.86Å; L338-L368 HydrophobicContact CB-CD2 4.3Å; L338-L368 HydrophobicContact CD2-CD2 4.07Å; L338-L368 HydrophobicContact CG-CD2 4.44Å; L338-L368 HydrophobicContact CG-CG 4.49Å
339H86.1Confident93Very high131 Ų13142.5 Ų42.561%0.60622%0.223SC*.G310 helixtrans-61.8-28174.478.5-85.1000113.9N336 E337 L368N336-H339 PolarHBondContact O-CE1 2.79Å; N336-H339 PolarHBondContact O-ND1 2.95Å; E337-H339 PolarHBondContact O-N 3.09Å; H339-L368 HydrophobicContact CB-CD1 3.72Å
340S87.9Confident92.8Very high68 Ų6844.2 Ų44.248%0.47623%0.23SC..G310 helixtrans-90.8-10.5-17772.50000113.4E337 L338E337-S340 WeakPolarHBondContact O-CB 3.32Å; E337-S340 PolarHBondContact O-N 2.86Å; E337-S340 PolarHBondContact O-OG 3.23Å; L338-S340 PolarHBondContact O-N 2.91Å
341R89.6Confident92.2Very high53 Ų5341 Ų4120%0.222%0.217CC..  trans-95.3150.7-173.3-58.5-57.7-165.8132.5-4.4111.3L304 L305 V333 E337 L338 L367L304-R341 HydrophobicContact CD1-CB 3.86Å; L304-R341 HydrophobicContact CG-CB 4.18Å; L304-R341 HydrophobicContact CG-CG 4.42Å; L305-R341 WeakPolarHBondContact O-CA 3.38Å; L305-R341 WeakPolarHBondContact O-CD 3.28Å; V333-R341 HydrophobicContact CG2-CG 4.08Å; E337-R341 IonicContact OE2-CZ 2.7Å; E337-R341 IonicContact OE2-NE 2.97Å; E337-R341 PolarHBondContact OE2-NE 3.17Å; E337-R341 IonicContact OE2-NH2 2.62Å; E337-R341 PolarHBondContact OE2-NH2 2.73Å; L338-R341 PolarHBondContact O-N 2.91Å; R341-L367 HydrophobicContact CB-CD1 4.13Å
342K92Very high91.6Very high89 Ų8949.7 Ų49.739%0.38725%0.249SC..EExtended strand (participates in β ladder)trans-126.8134.5170.2-58.2-165.2176.3-146.40110.1L304 L305 V363 V364 D365L304-K342 CarbonylContact C-O 3.45Å; L305-K342 HydrophobicContact CB-CB 4.33Å; L305-K342 WeakPolarHBondContact CB-O 3.36Å; L305-K342 PolarHBondContact N-O 2.93Å; L305-K342 PolarHBondContact O-N 3.37Å; L305-K342 VanDerWaalsContact O-N 3.16Å; K342-V363 HydrophobicContact CB-CG1 4.09Å; K342-V363 HydrophobicContact CD-CG1 4.06Å; K342-V364 CarbonylContact C-O 3.58Å; K342-V364 WeakPolarHBondContact CA-O 3.25Å; K342-D365 HydrophobicContact CD-CB 3.85Å; K342-D365 HydrophobicContact CG-CB 3.95Å; K342-D365 IonicContact NZ-OD2 2.69Å; K342-D365 PolarHBondContact NZ-OD2 2.8Å
343L94.6Very high90.6Very high0 Ų053.8 Ų53.80%025%0.254CS..EExtended strand (participates in β ladder)trans-87.8128.1175.6-171.471.5000108.7L268 L277 V279 I302 L304 F331 F345 V364 L367L268-L343 HydrophobicContact CD1-CD2 4.41Å; L268-L343 HydrophobicContact CD2-CD2 3.4Å; L268-L343 VanDerWaalsContact CD2-CD2 3.4Å; L277-L343 HydrophobicContact CD2-CD1 4.43Å; V279-L343 HydrophobicContact CG1-CD2 3.97Å; V279-L343 HydrophobicContact CG2-CD1 4Å; V279-L343 HydrophobicContact CG2-CD2 3.77Å; I302-L343 HydrophobicContact CG2-CD1 3.88Å; L304-L343 HydrophobicContact CD1-CD1 4.32Å; F331-L343 HydrophobicContact CD2-CD1 4.41Å; F331-L343 HydrophobicContact CE2-CD1 3.91Å; F331-L343 HydrophobicContact CZ-CD1 4.49Å; L343-F345 HydrophobicContact CD1-CE1 4.47Å; L343-F345 HydrophobicContact CD2-CE1 3.65Å; L343-F345 HydrophobicContact CD2-CE2 4.45Å; L343-F345 HydrophobicContact CD2-CZ 3.47Å; L343-F345 VanDerWaalsContact CD2-CZ 3.47Å; L343-F345 HydrophobicContact CG-CE1 3.83Å; L343-F345 HydrophobicContact CG-CZ 4.06Å; L343-V364 HydrophobicContact CB-CB 4.38Å; L343-V364 PolarHBondContact N-O 2.74Å; L343-V364 PolarHBondContact O-N 3.37Å; L343-L367 HydrophobicContact CB-CD1 4.25Å; L343-L367 HydrophobicContact CB-CD2 3.91Å
344H94.8Very high89.5Confident15 Ų1556.1 Ų56.17%0.06927%0.27CS..EExtended strand (participates in β ladder)trans-124118.9-173.4-176.6-73.5000110.3I302 Y303 L305 S346I302-H344 WeakPolarHBondContact CA-O 3.44Å; Y303-H344 AromaticContact CD2-ND1 3.98Å; Y303-H344 PolarHBondContact N-O 3.48Å; Y303-H344 PolarHBondContact O-N 3.35Å; L305-H344 HydrophobicContact CD1-CB 3.77Å; L305-H344 HydrophobicContact CD2-CB 4.46Å; L305-H344 HydrophobicContact CG-CB 3.84Å; H344-S346 PolarHBondContact CE1-OG 2.92Å; H344-S346 PolarHBondContact ND1-OG 2.93Å
345F96.3Very high88.3Confident0 Ų058.3 Ų58.30%027%0.273CS..EExtended strand (participates in β ladder)trans-100.9136.8172-52.2-44000109.9I264 F266 V279 I281 V300 K301 I302 L343 Q361 V362 V364I264-F345 HydrophobicContact CD1-CD2 4.43Å; I264-F345 HydrophobicContact CG2-CD2 4.36Å; F266-F345 HydrophobicContact CD1-CD2 4.5Å; F266-F345 AromaticContact CD1-CE2 3.66Å; F266-F345 HydrophobicContact CD1-CE2 3.66Å; F266-F345 HydrophobicContact CD1-CZ 4.37Å; F266-F345 AromaticContact CD2-CE2 3.99Å; F266-F345 HydrophobicContact CD2-CE2 3.99Å; F266-F345 HydrophobicContact CD2-CZ 4.04Å; F266-F345 HydrophobicContact CE1-CD2 4.47Å; F266-F345 AromaticContact CE1-CE2 3.72Å; F266-F345 HydrophobicContact CE1-CE2 3.72Å; F266-F345 HydrophobicContact CE2-CE2 4.03Å; F266-F345 HydrophobicContact CE2-CZ 4.33Å; F266-F345 AromaticContact CG-CE2 3.82Å; F266-F345 HydrophobicContact CG-CE2 3.82Å; F266-F345 HydrophobicContact CG-CZ 4.06Å; F266-F345 AromaticContact CZ-CE2 3.9Å; F266-F345 HydrophobicContact CZ-CE2 3.9Å; V279-F345 HydrophobicContact CG1-CE1 3.94Å; V279-F345 HydrophobicContact CG1-CZ 4.05Å; I281-F345 HydrophobicContact CD1-CD1 4.16Å; I281-F345 HydrophobicContact CD1-CE1 3.64Å; I281-F345 HydrophobicContact CD1-CE2 4.42Å; I281-F345 HydrophobicContact CD1-CZ 3.78Å; V300-F345 HydrophobicContact CG1-CB 4Å; K301-F345 WeakPolarHBondContact O-CA 3.49Å; I302-F345 HydrophobicContact CB-CD1 4.3Å; I302-F345 HydrophobicContact CG1-CD1 3.98Å; I302-F345 HydrophobicContact CG1-CE1 4.28Å; I302-F345 HydrophobicContact CG2-CD1 3.83Å; I302-F345 HydrophobicContact CG2-CE1 3.72Å; L343-F345 HydrophobicContact CD1-CE1 4.47Å; L343-F345 HydrophobicContact CD2-CE1 3.65Å; L343-F345 HydrophobicContact CD2-CE2 4.45Å; L343-F345 HydrophobicContact CD2-CZ 3.47Å; L343-F345 VanDerWaalsContact CD2-CZ 3.47Å; L343-F345 HydrophobicContact CG-CE1 3.83Å; L343-F345 HydrophobicContact CG-CZ 4.06Å; F345-Q361 WeakPolarHBondContact O-CA 3.17Å; F345-V362 HydrophobicContact CB-CB 4.29Å; F345-V362 HydrophobicContact CD2-CB 4.08Å; F345-V362 HydrophobicContact CD2-CG1 4.07Å; F345-V362 PolarHBondContact N-O 2.66Å; F345-V362 PolarHBondContact O-N 3.09Å; F345-V364 HydrophobicContact CE2-CG2 4.36Å
346S94.9Very high88Confident4 Ų457.7 Ų57.73%0.02827%0.269CS..EExtended strand (participates in β ladder)trans-123.5114.7167.9-50.90000108.4V300 K301 H344 Y348V300-S346 WeakPolarHBondContact CA-O 3.43Å; K301-S346 PolarHBondContact N-O 3.2Å; K301-S346 PolarHBondContact O-N 2.83Å; H344-S346 PolarHBondContact CE1-OG 2.92Å; H344-S346 PolarHBondContact ND1-OG 2.93Å; S346-Y348 VanDerWaalsContact CB-CE2 3.47Å
347V96.8Very high87.7Confident0 Ų055.3 Ų55.30%026%0.256CS..EExtended strand (participates in β ladder)trans-88.7127.9176.5-170.30000108I264 L287 V300 L358 I359 G360 I383I264-V347 HydrophobicContact CD1-CG2 4.33Å; L287-V347 HydrophobicContact CD1-CG1 4.31Å; L287-V347 HydrophobicContact CD2-CG1 4.38Å; V300-V347 HydrophobicContact CG1-CG2 4.48Å; V300-V347 HydrophobicContact CG2-CG2 4.26Å; V347-L358 WeakPolarHBondContact O-CD1 3.17Å; V347-I359 HydrophobicContact CB-CB 4.25Å; V347-I359 HydrophobicContact CB-CG2 4.39Å; V347-I359 HydrophobicContact CG1-CB 4.11Å; V347-I359 HydrophobicContact CG1-CD1 4.25Å; V347-I359 HydrophobicContact CG1-CG2 4.16Å; V347-I359 WeakPolarHBondContact O-CB 3.41Å; V347-I359 PolarHBondContact O-N 3.01Å; V347-G360 PolarHBondContact N-O 2.85Å; V347-G360 PolarHBondContact O-N 3.19Å; V347-I383 HydrophobicContact CG2-CD1 3.89Å; V347-I383 HydrophobicContact CG2-CG1 4.32Å
348Y95.4Very high87.6Confident46 Ų4653.4 Ų53.418%0.1825%0.248CC..EExtended strand (participates in β ladder)trans-127.2151.3-177.2-79.6-88.4000110.2P298 Y299 K301 S346 H356 D357 L358P298-Y348 CarbonylContact C-O 3.36Å; P298-Y348 VanDerWaalsContact CA-O 3.28Å; P298-Y348 WeakPolarHBondContact CA-O 3.17Å; Y299-Y348 HydrophobicContact CE1-CG 4.39Å; Y299-Y348 VanDerWaalsContact CZ-CB 3.41Å; Y299-Y348 AromaticContact CZ-CG 3.99Å; Y299-Y348 PolarHBondContact N-O 2.83Å; Y299-Y348 PolarHBondContact O-N 2.93Å; Y299-Y348 WeakPolarHBondContact OH-CB 3.38Å; K301-Y348 HydrophobicContact CD-CD2 3.87Å; K301-Y348 HydrophobicContact CD-CE2 3.59Å; K301-Y348 HydrophobicContact CG-CD2 4.15Å; K301-Y348 HydrophobicContact CG-CE2 4.24Å; K301-Y348 VanDerWaalsContact NZ-CZ 3.34Å; S346-Y348 VanDerWaalsContact CB-CE2 3.47Å; Y348-H356 HydrophobicContact CD1-CB 4.38Å; Y348-H356 WeakPolarHBondContact CD1-O 3.46Å; Y348-D357 CarbonylContact C-O 3.52Å; Y348-D357 VanDerWaalsContact CA-O 3.25Å; Y348-D357 WeakPolarHBondContact CA-O 3.31Å; Y348-D357 WeakPolarHBondContact CD1-O 3.25Å; Y348-L358 HydrophobicContact CD1-CB 4.34Å; Y348-L358 HydrophobicContact CD1-CD1 4.17Å; Y348-L358 HydrophobicContact CD2-CD1 4.26Å; Y348-L358 HydrophobicContact CE1-CB 4.05Å; Y348-L358 HydrophobicContact CE1-CD1 3.8Å; Y348-L358 HydrophobicContact CE2-CD1 3.91Å; Y348-L358 HydrophobicContact CG-CD1 4.38Å
349D95.3Very high87.8Confident3 Ų353.5 Ų53.52%0.01625%0.248CC..  trans-80.8153.2157.9-157.4-9.9000110.4K290 S296 D297 Y299 H356 D357 I359K290-D349 HydrophobicContact CB-CB 4.22Å; K290-D349 WeakPolarHBondContact CB-OD2 3.27Å; K290-D349 HydrophobicContact CG-CB 4.32Å; S296-D349 VanDerWaalsContact CA-OD2 3.3Å; S296-D349 WeakPolarHBondContact CA-OD2 3.22Å; S296-D349 VanDerWaalsContact CB-OD2 3.22Å; S296-D349 WeakPolarHBondContact CB-OD2 3.17Å; S296-D349 PolarHBondContact OG-OD2 3.39Å; D297-D349 VanDerWaalsContact CA-OD1 3.31Å; D297-D349 WeakPolarHBondContact CA-OD1 3.15Å; D297-D349 PolarHBondContact N-OD1 3.18Å; Y299-D349 WeakPolarHBondContact CE1-O 3.05Å; D349-H356 WeakPolarHBondContact O-CA 3.42Å; D349-H356 VanDerWaalsContact O-CB 3.25Å; D349-H356 WeakPolarHBondContact O-CB 3.15Å; D349-D357 HydrophobicContact CB-CB 4.29Å; D349-D357 PolarHBondContact N-O 2.93Å; D349-I359 HydrophobicContact CB-CD1 4.25Å; D349-I359 HydrophobicContact CB-CG1 4.5Å
350F93.1Very high88.1Confident59 Ų5947.2 Ų47.226%0.25922%0.219SC..  trans-106.2103.9177.5176.1-96.6000112.4D297 Y299 V316 H356D297-F350 HydrophobicContact CB-CB 3.99Å; D297-F350 VanDerWaalsContact O-CB 3.29Å; D297-F350 WeakPolarHBondContact O-CB 3.11Å; D297-F350 PolarHBondContact O-N 2.96Å; Y299-F350 HydrophobicContact CD1-CB 3.94Å; Y299-F350 HydrophobicContact CE1-CB 4.09Å; V316-F350 HydrophobicContact CB-CB 4.36Å; V316-F350 HydrophobicContact CB-CG 4.4Å; V316-F350 HydrophobicContact CG1-CB 3.6Å; V316-F350 HydrophobicContact CG1-CD1 3.9Å; V316-F350 HydrophobicContact CG1-CG 3.82Å; V316-F350 HydrophobicContact CG2-CB 3.78Å; V316-F350 HydrophobicContact CG2-CD1 4.35Å; V316-F350 HydrophobicContact CG2-CD2 3.83Å; V316-F350 HydrophobicContact CG2-CG 3.69Å; F350-H356 AromaticContact CD2-CE1 3.38Å; F350-H356 WeakPolarHBondContact CD2-CE1 3.24Å; F350-H356 AromaticContact CD2-ND1 3.93Å; F350-H356 AromaticContact CD2-NE2 3.58Å; F350-H356 AromaticContact CE2-CE1 3.52Å; F350-H356 AromaticContact CE2-NE2 3.48Å; F350-H356 WeakPolarHBondContact CE2-NE2 3.35Å
351D83.3Confident88.4Confident39 Ų3945.7 Ų45.721%0.20921%0.205CC..  trans-87.4139171.4-72.4-97.7000112.4S354 R355 H356 D357D351-S354 VanDerWaalsContact CB-O 3.26Å; D351-S354 WeakPolarHBondContact CB-O 3.4Å; D351-S354 WeakPolarHBondContact CB-OG 3.42Å; D351-S354 PolarHBondContact OD1-OG 2.85Å; D351-R355 VanDerWaalsContact OD2-O 3.1Å; D351-H356 PolarHBondContact O-CD2 2.85Å; D351-H356 PolarHBondContact O-NE2 2.92Å; D351-H356 WeakPolarHBondContact OD2-CA 3.49Å; D351-D357 PolarHBondContact OD2-N 2.85Å
352R82.5Confident88.6Confident184 Ų18443.5 Ų43.569%0.69420%0.197SC*.SBendtrans-86.9-27174.4-175.7175176.6-169.2-1.3113.6
353F72.8Confident88.6Confident135 Ų13542.8 Ų42.859%0.59220%0.2SC*.SBendtrans-135.914.8-167-56-65.3000113.2
354S68.9Low88.5Confident52 Ų5242.9 Ų42.936%0.36420%0.2SC..SBendtrans-153.1173.4-171.924.50000108.9D351 H356D351-S354 VanDerWaalsContact CB-O 3.26Å; D351-S354 WeakPolarHBondContact CB-O 3.4Å; D351-S354 WeakPolarHBondContact CB-OG 3.42Å; D351-S354 PolarHBondContact OD1-OG 2.85Å; S354-H356 PolarHBondContact O-N 3.18Å
355R68.6Low88.2Confident88 Ų8845.5 Ų45.533%0.33222%0.215SC..  trans-64.6127.4170.3-86.4-73.9-176.278.1105.9112.7D351 D357 A421 M422 E491D351-R355 VanDerWaalsContact OD2-O 3.1Å; R355-D357 PolarHBondContact O-N 2.97Å; R355-D357 VanDerWaalsContact O-N 3.07Å; R355-A421 PolarHBondContact NH1-O 2.94Å; R355-A421 PolarHBondContact NH2-O 3.25Å; R355-M422 PolarHBondContact NE-O 3.36Å; R355-M422 PolarHBondContact NH2-O 3.01Å; R355-M422 PolarHBondContact NH2-SD 2.86Å; R355-E491 VanDerWaalsContact CG-OE2 3.29Å; R355-E491 WeakPolarHBondContact CG-OE2 3.48Å; R355-E491 PolarHBondContact N-OE1 3.33Å
356H84Confident87.7Confident49 Ų4949.9 Ų49.923%0.22724%0.239CC..  trans-54.4110170.6-65.1-167.9000110.7Y299 Y348 D349 F350 D351 S354Y299-H356 HydrophobicContact CE1-CB 4.44Å; Y299-H356 AromaticContact CE1-ND1 3.66Å; Y299-H356 AromaticContact CZ-ND1 3.49Å; Y299-H356 PolarHBondContact OH-ND1 2.91Å; Y348-H356 HydrophobicContact CD1-CB 4.38Å; Y348-H356 WeakPolarHBondContact CD1-O 3.46Å; D349-H356 WeakPolarHBondContact O-CA 3.42Å; D349-H356 VanDerWaalsContact O-CB 3.25Å; D349-H356 WeakPolarHBondContact O-CB 3.15Å; F350-H356 AromaticContact CD2-CE1 3.38Å; F350-H356 WeakPolarHBondContact CD2-CE1 3.24Å; F350-H356 AromaticContact CD2-ND1 3.93Å; F350-H356 AromaticContact CD2-NE2 3.58Å; F350-H356 AromaticContact CE2-CE1 3.52Å; F350-H356 AromaticContact CE2-NE2 3.48Å; F350-H356 WeakPolarHBondContact CE2-NE2 3.35Å; D351-H356 PolarHBondContact O-CD2 2.85Å; D351-H356 PolarHBondContact O-NE2 2.92Å; D351-H356 WeakPolarHBondContact OD2-CA 3.49Å; S354-H356 PolarHBondContact O-N 3.18Å
357D84.8Confident87.3Confident75 Ų7549.8 Ų49.840%0.40124%0.238SC..  trans-72.2142.3-170.4-152.923.2000112.9K290 Y348 D349 D351 R355 I359K290-D357 HydrophobicContact CB-CB 4.4Å; K290-D357 WeakPolarHBondContact CD-OD2 3.18Å; K290-D357 HydrophobicContact CG-CB 4.45Å; K290-D357 IonicContact NZ-OD2 2.68Å; Y348-D357 CarbonylContact C-O 3.52Å; Y348-D357 VanDerWaalsContact CA-O 3.25Å; Y348-D357 WeakPolarHBondContact CA-O 3.31Å; Y348-D357 WeakPolarHBondContact CD1-O 3.25Å; D349-D357 HydrophobicContact CB-CB 4.29Å; D349-D357 PolarHBondContact N-O 2.93Å; D351-D357 PolarHBondContact OD2-N 2.85Å; R355-D357 PolarHBondContact O-N 2.97Å; R355-D357 VanDerWaalsContact O-N 3.07Å; D357-I359 PolarHBondContact O-N 2.87Å
358L89Confident86.5Confident32 Ų3252.9 Ų52.917%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-81.4119177.8-176.368.8000109.6K290 V347 Y348 Q361K290-L358 WeakPolarHBondContact CE-O 3.36Å; K290-L358 PolarHBondContact NZ-O 3.44Å; V347-L358 WeakPolarHBondContact O-CD1 3.17Å; Y348-L358 HydrophobicContact CD1-CB 4.34Å; Y348-L358 HydrophobicContact CD1-CD1 4.17Å; Y348-L358 HydrophobicContact CD2-CD1 4.26Å; Y348-L358 HydrophobicContact CE1-CB 4.05Å; Y348-L358 HydrophobicContact CE1-CD1 3.8Å; Y348-L358 HydrophobicContact CE2-CD1 3.91Å; Y348-L358 HydrophobicContact CG-CD1 4.38Å; L358-Q361 HydrophobicContact CD1-CG 4.38Å; L358-Q361 HydrophobicContact CD2-CG 4.49Å
359I93.3Very high85.7Confident1 Ų156 Ų561%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-80.6-45.7172.3-70.4171000109.9C261 L287 P288 K290 P298 V347 D349 D357C261-I359 PolarHBondContact SG-O 3.42Å; C261-I359 VanDerWaalsContact SG-O 3.38Å; L287-I359 HydrophobicContact CD1-CD1 4.47Å; L287-I359 HydrophobicContact CD2-CG2 4.18Å; P288-I359 HydrophobicContact CG-CG2 3.81Å; K290-I359 HydrophobicContact CG-CG1 3.94Å; P298-I359 HydrophobicContact CB-CD1 4.29Å; V347-I359 HydrophobicContact CB-CB 4.25Å; V347-I359 HydrophobicContact CB-CG2 4.39Å; V347-I359 HydrophobicContact CG1-CB 4.11Å; V347-I359 HydrophobicContact CG1-CD1 4.25Å; V347-I359 HydrophobicContact CG1-CG2 4.16Å; V347-I359 WeakPolarHBondContact O-CB 3.41Å; V347-I359 PolarHBondContact O-N 3.01Å; D349-I359 HydrophobicContact CB-CD1 4.25Å; D349-I359 HydrophobicContact CB-CG1 4.5Å; D357-I359 PolarHBondContact O-N 2.87Å
360G93.1Very high84.6Confident0 Ų057.3 Ų57.30%028%0.279CS..EExtended strand (participates in β ladder)trans166.3-171.4175.300000113.8V347 V384V347-G360 PolarHBondContact N-O 2.85Å; V347-G360 PolarHBondContact O-N 3.19Å; G360-V384 CarbonylContact C-O 3.5Å; G360-V384 VanDerWaalsContact CA-O 3.3Å; G360-V384 WeakPolarHBondContact CA-O 3.19Å
361Q93.6Very high83.3Confident36 Ų3655.3 Ų55.317%0.16827%0.273CS..EExtended strand (participates in β ladder)trans-135.4154.6-171.6-64.7-178.9-1300112.6F345 L358 V384F345-Q361 WeakPolarHBondContact O-CA 3.17Å; L358-Q361 HydrophobicContact CD1-CG 4.38Å; L358-Q361 HydrophobicContact CD2-CG 4.49Å; Q361-V384 PolarHBondContact N-O 3.39Å; Q361-V384 PolarHBondContact O-N 3.04Å
362V94.1Very high82.3Confident6 Ų661.4 Ų61.44%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-138.6129.4171.71730000108.8I264 F345 V364 R381 D382 I383I264-V362 HydrophobicContact CG2-CB 4.43Å; I264-V362 HydrophobicContact CG2-CG2 3.84Å; F345-V362 HydrophobicContact CB-CB 4.29Å; F345-V362 HydrophobicContact CD2-CB 4.08Å; F345-V362 HydrophobicContact CD2-CG1 4.07Å; F345-V362 PolarHBondContact N-O 2.66Å; F345-V362 PolarHBondContact O-N 3.09Å; V362-V364 HydrophobicContact CG1-CG2 4.14Å; V362-R381 HydrophobicContact CG1-CB 3.54Å; V362-R381 HydrophobicContact CG1-CG 3.84Å; V362-R381 HydrophobicContact CG2-CB 4.24Å; V362-D382 WeakPolarHBondContact CG2-O 3.29Å; V362-I383 HydrophobicContact CG2-CB 4.37Å; V362-I383 HydrophobicContact CG2-CG1 3.97Å
363V92.6Very high81.1Confident74 Ų7456.8 Ų56.845%0.44831%0.31SS..EExtended strand (participates in β ladder)trans-110.6134172.3-168.10000108.9K342K342-V363 HydrophobicContact CB-CG1 4.09Å; K342-V363 HydrophobicContact CD-CG1 4.06Å
364V91.5Very high80.4Confident2 Ų251.8 Ų51.81%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-121.8116.3173.4-168.60000108F266 L268 K342 L343 F345 V362 L367 F370F266-V364 HydrophobicContact CE2-CG2 4.19Å; F266-V364 HydrophobicContact CZ-CG2 3.76Å; L268-V364 HydrophobicContact CD1-CG1 4.17Å; K342-V364 CarbonylContact C-O 3.58Å; K342-V364 WeakPolarHBondContact CA-O 3.25Å; L343-V364 HydrophobicContact CB-CB 4.38Å; L343-V364 PolarHBondContact N-O 2.74Å; L343-V364 PolarHBondContact O-N 3.37Å; F345-V364 HydrophobicContact CE2-CG2 4.36Å; V362-V364 HydrophobicContact CG1-CG2 4.14Å; V364-L367 HydrophobicContact CB-CD2 4.3Å; V364-L367 HydrophobicContact CG1-CD2 4.04Å; V364-F370 HydrophobicContact CG1-CE2 3.8Å; V364-F370 HydrophobicContact CG1-CZ 4.21Å
365D89.3Confident80Confident70 Ų7050 Ų5037%0.37428%0.281SS..  trans-100.6-170.9169.64611.7000111.5K342 L367K342-D365 HydrophobicContact CD-CB 3.85Å; K342-D365 HydrophobicContact CG-CB 3.95Å; K342-D365 IonicContact NZ-OD2 2.69Å; K342-D365 PolarHBondContact NZ-OD2 2.8Å; D365-L367 VanDerWaalsContact C-N 3.26Å; D365-L367 PolarHBondContact O-N 3.03Å
366N84.4Confident80Confident93 Ų9352 Ų5250%0.49730%0.298SS..  trans48.147.5-179.4-55.7-13.7000112.4L368 D369N366-L368 PolarHBondContact O-N 3.33Å; N366-D369 WeakPolarHBondContact CB-OD2 3.14Å; N366-D369 WeakPolarHBondContact O-CB 3.49Å; N366-D369 PolarHBondContact O-N 2.95Å
367L87Confident80Confident2 Ų257 Ų571%0.0132%0.32CS..G310 helixtrans-62.6-15.1-171.8-61.6176.2000113.9L268 L277 L304 L338 R341 L343 V364 D365L268-L367 HydrophobicContact CD1-CD2 4.18Å; L277-L367 HydrophobicContact CD2-CD1 4.03Å; L304-L367 HydrophobicContact CD1-CD1 3.81Å; L338-L367 HydrophobicContact CD1-CB 3.65Å; L338-L367 HydrophobicContact CD1-CD1 3.92Å; L338-L367 HydrophobicContact CD1-CG 4.46Å; L338-L367 HydrophobicContact CD2-CB 4.44Å; L338-L367 HydrophobicContact CG-CB 3.86Å; R341-L367 HydrophobicContact CB-CD1 4.13Å; L343-L367 HydrophobicContact CB-CD1 4.25Å; L343-L367 HydrophobicContact CB-CD2 3.91Å; V364-L367 HydrophobicContact CB-CD2 4.3Å; V364-L367 HydrophobicContact CG1-CD2 4.04Å; D365-L367 VanDerWaalsContact C-N 3.26Å; D365-L367 PolarHBondContact O-N 3.03Å
368L80.9Confident80.4Confident64 Ų6456.8 Ų56.834%0.33532%0.322SS..G310 helixtrans-66.4-34.4170.4-73.8169.1000113.1L335 L338 H339 N366 F370 S371L335-L368 HydrophobicContact CD1-CD2 3.7Å; L338-L368 HydrophobicContact CB-CD2 4.3Å; L338-L368 HydrophobicContact CD2-CD2 4.07Å; L338-L368 HydrophobicContact CG-CD2 4.44Å; L338-L368 HydrophobicContact CG-CG 4.49Å; H339-L368 HydrophobicContact CB-CD1 3.72Å; N366-L368 PolarHBondContact O-N 3.33Å; L368-F370 PolarHBondContact O-N 3.09Å; L368-S371 WeakPolarHBondContact O-CB 3.49Å; L368-S371 PolarHBondContact O-N 3.04Å; L368-S371 PolarHBondContact O-OG 2.94Å
369D77.1Confident80.5Confident111 Ų11156.1 Ų56.159%0.59432%0.318SS*.G310 helixtrans-61.7-19179.9-59.23.3000112.1N366N366-D369 WeakPolarHBondContact CB-OD2 3.14Å; N366-D369 WeakPolarHBondContact O-CB 3.49Å; N366-D369 PolarHBondContact O-N 2.95Å
370F72Confident80.6Confident32 Ų3260.2 Ų60.214%0.1433%0.334CS..G310 helixtrans-101.11.7176.7-52.6-80.5000113.7L268 V364 L368 S374 I379L268-F370 HydrophobicContact CB-CB 3.85Å; L268-F370 HydrophobicContact CB-CG 4.31Å; L268-F370 HydrophobicContact CD1-CB 4.22Å; L268-F370 HydrophobicContact CD1-CD1 4.42Å; L268-F370 HydrophobicContact CD1-CD2 3.86Å; L268-F370 HydrophobicContact CD1-CE2 4.34Å; L268-F370 HydrophobicContact CD1-CG 3.9Å; V364-F370 HydrophobicContact CG1-CE2 3.8Å; V364-F370 HydrophobicContact CG1-CZ 4.21Å; L368-F370 PolarHBondContact O-N 3.09Å; F370-S374 WeakPolarHBondContact CA-OG 3.39Å; F370-S374 PolarHBondContact O-OG 3.42Å; F370-I379 HydrophobicContact CD1-CD1 3.45Å; F370-I379 VanDerWaalsContact CD1-CD1 3.45Å; F370-I379 HydrophobicContact CD1-CG1 4.26Å; F370-I379 HydrophobicContact CE1-CD1 3.55Å; F370-I379 HydrophobicContact CE1-CG1 4.06Å; F370-I379 HydrophobicContact CG-CD1 4.3Å; F370-I379 HydrophobicContact CZ-CD1 4.47Å
371S66.1Low80.7Confident17 Ų1765 Ų6512%0.11935%0.352CS..THydrogen-bonded Turntrans-86-31.2175.6740000112.5L368L368-S371 WeakPolarHBondContact O-CB 3.49Å; L368-S371 PolarHBondContact O-N 3.04Å; L368-S371 PolarHBondContact O-OG 2.94Å
372E63.3Low80.8Confident166 Ų16668.9 Ų68.978%0.77637%0.374SS*.SBendtrans-95.197.8-179-62.9-166.2160.900112S374E372-S374 VanDerWaalsContact C-N 3.31Å; E372-S374 PolarHBondContact O-N 3.27Å; E372-S374 VanDerWaalsContact O-N 3.1Å
373G56.5Low80.9Confident88 Ų8869 Ų6991%0.90737%0.374SS*.SBendtrans77.4-9.816300000118
374S58.5Low80.8Confident30 Ų3070.3 Ų70.321%0.2138%0.382CS..  trans-90.53.1-177.773.50000115.9F370 E372 D376 K377F370-S374 WeakPolarHBondContact CA-OG 3.39Å; F370-S374 PolarHBondContact O-OG 3.42Å; E372-S374 VanDerWaalsContact C-N 3.31Å; E372-S374 PolarHBondContact O-N 3.27Å; E372-S374 VanDerWaalsContact O-N 3.1Å; S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 2.99Å; S374-K377 PolarHBondContact O-N 3.12Å
375G60.3Low80.4Confident14 Ų1475.3 Ų75.314%0.14441%0.406CS..THydrogen-bonded Turntrans-55.9-24.8-15900000118L268L268-G375 WeakPolarHBondContact O-CA 3.48Å
376D69.4Low79.1Confident129 Ų12972.9 Ų72.969%0.6940%0.397SS*.THydrogen-bonded Turntrans-110.44.8-179.8-63.1-44.2000113.7S374 P378S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 2.99Å; D376-P378 WeakPolarHBondContact O-CD 3.46Å
377K83.7Confident77.3Confident156 Ų15674.5 Ų74.568%0.67841%0.41SS*.SBendtrans-87.3118.7179.1-174.5178.9179.8-178.80111.2L267 S374 I379L267-K377 VanDerWaalsContact CD2-O 3.29Å; L267-K377 WeakPolarHBondContact CD2-O 3.42Å; S374-K377 PolarHBondContact O-N 3.12Å; K377-I379 PolarHBondContact O-N 3.19Å; K377-I379 VanDerWaalsContact O-N 3.16Å
378P92Very high75.5Confident69 Ų6976.2 Ų76.245%0.44843%0.425SS..PPolyproline II helixtrans-59.7117.9178.3-25.335.9000112.7L267 L282 D376L267-P378 HydrophobicContact CD2-CB 4.49Å; L267-P378 HydrophobicContact CD2-CG 4.31Å; L282-P378 HydrophobicContact CD1-CB 4.05Å; L282-P378 HydrophobicContact CD1-CG 4.23Å; D376-P378 WeakPolarHBondContact O-CD 3.46Å
379I92.5Very high73.9Confident18 Ų1879.1 Ų79.19%0.09244%0.436CS..EExtended strand (participates in β ladder)trans-87.8132.1174.4-55.1159.1000107.4C265 F266 L268 F370 K377C265-I379 VanDerWaalsContact CA-O 3.29Å; C265-I379 WeakPolarHBondContact CA-O 3.43Å; F266-I379 HydrophobicContact CD2-CB 4.18Å; F266-I379 HydrophobicContact CD2-CD1 4.08Å; F266-I379 HydrophobicContact CE1-CB 4.33Å; F266-I379 HydrophobicContact CE1-CG2 4.05Å; F266-I379 HydrophobicContact CE2-CB 3.83Å; F266-I379 HydrophobicContact CE2-CD1 3.71Å; F266-I379 HydrophobicContact CE2-CG1 4.4Å; F266-I379 HydrophobicContact CE2-CG2 3.79Å; F266-I379 HydrophobicContact CZ-CB 3.9Å; F266-I379 HydrophobicContact CZ-CG2 3.46Å; F266-I379 VanDerWaalsContact CZ-CG2 3.46Å; F266-I379 PolarHBondContact N-O 3.41Å; F266-I379 PolarHBondContact O-N 3.16Å; L268-I379 HydrophobicContact CB-CD1 4.09Å; L268-I379 HydrophobicContact CD1-CD1 4.07Å; L268-I379 HydrophobicContact CG-CD1 3.85Å; F370-I379 HydrophobicContact CD1-CD1 3.45Å; F370-I379 VanDerWaalsContact CD1-CD1 3.45Å; F370-I379 HydrophobicContact CD1-CG1 4.26Å; F370-I379 HydrophobicContact CE1-CD1 3.55Å; F370-I379 HydrophobicContact CE1-CG1 4.06Å; F370-I379 HydrophobicContact CG-CD1 4.3Å; F370-I379 HydrophobicContact CZ-CD1 4.47Å; K377-I379 PolarHBondContact O-N 3.19Å; K377-I379 VanDerWaalsContact O-N 3.16Å
380W94.9Very high72.7Confident87 Ų8783.1 Ų83.133%0.3345%0.449SS..EExtended strand (participates in β ladder)trans-106.1142.8167.1-70.989.3000110.2R263 I264 C265 K283 L285R263-W380 HydrophobicContact CB-CE3 4.32Å; R263-W380 HydrophobicContact CG-CE3 3.94Å; R263-W380 HydrophobicContact CG-CZ3 3.93Å; I264-W380 WeakPolarHBondContact O-CA 3.35Å; C265-W380 HydrophobicContact CB-CD2 3.78Å; C265-W380 HydrophobicContact CB-CE3 3.71Å; C265-W380 HydrophobicContact CB-CH2 3.62Å; C265-W380 HydrophobicContact CB-CZ2 3.69Å; C265-W380 HydrophobicContact CB-CZ3 3.63Å; K283-W380 HydrophobicContact CD-CH2 4.41Å; K283-W380 HydrophobicContact CG-CH2 4.27Å; L285-W380 HydrophobicContact CB-CZ3 4.4Å; L285-W380 HydrophobicContact CD1-CH2 3.37Å; L285-W380 HydrophobicContact CD1-CZ2 4.27Å; L285-W380 HydrophobicContact CD1-CZ3 3.83Å; L285-W380 HydrophobicContact CG-CH2 3.7Å; L285-W380 HydrophobicContact CG-CZ3 3.95Å
381R95.3Very high71.9Confident101 Ų10183.3 Ų83.338%0.38146%0.456SS..EExtended strand (participates in β ladder)trans-138.9133.8166.5-71-66.9-179.3-96.89.4108.6R263 I264 F266 V362R263-R381 CarbonylContact C-O 3.45Å; R263-R381 WeakPolarHBondContact CA-O 3.49Å; I264-R381 HydrophobicContact CG2-CB 4.39Å; I264-R381 PolarHBondContact N-O 3.09Å; I264-R381 PolarHBondContact O-N 3.42Å; F266-R381 HydrophobicContact CE1-CB 4.11Å; F266-R381 HydrophobicContact CE1-CG 3.8Å; F266-R381 HydrophobicContact CZ-CG 3.84Å; V362-R381 HydrophobicContact CG1-CB 3.54Å; V362-R381 HydrophobicContact CG1-CG 3.84Å; V362-R381 HydrophobicContact CG2-CB 4.24Å
382D95.6Very high72.3Confident117 Ų11786 Ų8663%0.62647%0.469SS*.EExtended strand (participates in β ladder)trans-70.1140.1171.4-51.2-53.8000108.8V362V362-D382 WeakPolarHBondContact CG2-O 3.29Å
383I95.4Very high73.6Confident8 Ų878.3 Ų78.34%0.04143%0.433CS..PPolyproline II helixtrans-83119.9-179.7-64.1160.8000106.5C261 G262 I264 L287 V347 V362C261-I383 HydrophobicContact CB-CB 4.1Å; C261-I383 HydrophobicContact CB-CG2 3.72Å; C261-I383 WeakPolarHBondContact CB-O 3.47Å; C261-I383 WeakPolarHBondContact O-CB 3.47Å; C261-I383 WeakPolarHBondContact O-CD1 3.49Å; G262-I383 PolarHBondContact O-N 3.22Å; I264-I383 HydrophobicContact CB-CD1 4.26Å; I264-I383 HydrophobicContact CB-CG1 4.25Å; I264-I383 HydrophobicContact CG2-CG1 4.33Å; L287-I383 HydrophobicContact CD2-CD1 3.39Å; V347-I383 HydrophobicContact CG2-CD1 3.89Å; V347-I383 HydrophobicContact CG2-CG1 4.32Å; V362-I383 HydrophobicContact CG2-CB 4.37Å; V362-I383 HydrophobicContact CG2-CG1 3.97Å
384V90.5Very high75.2Confident102 Ų10274.1 Ų74.162%0.61839%0.39SS*.BIsolated β-bridgetrans-79.8137.6174.5-173.40000107.6G360 Q361 G386G360-V384 CarbonylContact C-O 3.5Å; G360-V384 VanDerWaalsContact CA-O 3.3Å; G360-V384 WeakPolarHBondContact CA-O 3.19Å; Q361-V384 PolarHBondContact N-O 3.39Å; Q361-V384 PolarHBondContact O-N 3.04Å; V384-G386 PolarHBondContact O-N 3Å; V384-G386 VanDerWaalsContact O-N 3.08Å
385E82.9Confident76.7Confident108 Ų10876.3 Ų76.351%0.50540%0.397SS..PPolyproline II helixtrans-57.9121.3170-167.6175.7-156.100108C261 T387C261-E385 VanDerWaalsContact SG-CA 3.52Å; C261-E385 WeakPolarHBondContact SG-CB 3.32Å; E385-T387 PolarHBondContact O-N 2.9Å
386G61.8Low78.4Confident18 Ų1875.6 Ų75.619%0.18639%0.39CS..  trans-71.4102.1-177.100000109.3V384 A388V384-G386 PolarHBondContact O-N 3Å; V384-G386 VanDerWaalsContact O-N 3.08Å; G386-A388 PolarHBondContact O-N 2.97Å
387T48.5Very low79.8Confident127 Ų12769.5 Ų69.578%0.77936%0.357SS*.  trans-6189.5155.145.50000107.1E385 E389E385-T387 PolarHBondContact O-N 2.9Å; T387-E389 WeakPolarHBondContact O-CA 3.29Å; T387-E389 PolarHBondContact O-N 3.42Å
388A48.4Very low80.5Confident39 Ų3962.1 Ų62.132%0.32233%0.325SS..  trans-54.3109.8-17700000107.9G386 K390 A391G386-A388 PolarHBondContact O-N 2.97Å; A388-K390 VanDerWaalsContact C-N 3.31Å; A388-K390 CarbonylContact O-C 3.56Å; A388-K390 WeakPolarHBondContact O-CA 3.41Å; A388-K390 PolarHBondContact O-N 2.77Å; A388-A391 HydrophobicContact CB-CB 4.13Å; A388-A391 PolarHBondContact O-N 3.43Å
389E46.3Very low80.8Confident124 Ų12459.3 Ų59.358%0.57931%0.307SS*.THydrogen-bonded Turntrans-44.186.3-152.5-7116911400113.7R308 T387 A391R308-E389 IonicContact CZ-OE1 2.69Å; R308-E389 IonicContact CZ-OE2 3.2Å; R308-E389 VanDerWaalsContact CZ-OE2 3.26Å; R308-E389 IonicContact NH1-OE1 3.67Å; R308-E389 IonicContact NH1-OE2 2.76Å; R308-E389 PolarHBondContact NH1-OE2 3.4Å; R308-E389 VanDerWaalsContact NH2-CD 3.27Å; R308-E389 IonicContact NH2-OE1 3.06Å; R308-E389 PolarHBondContact NH2-OE1 3.16Å; R308-E389 IonicContact NH2-OE2 2.64Å; R308-E389 PolarHBondContact NH2-OE2 2.85Å; T387-E389 WeakPolarHBondContact O-CA 3.29Å; T387-E389 PolarHBondContact O-N 3.42Å; E389-A391 PolarHBondContact O-N 2.93Å
390K51.8Low81.1Confident196 Ų19658.4 Ų58.485%0.85230%0.303SS*.THydrogen-bonded Turntrans25.855.6-163-155.4-170.5-176-166.20112.8A388 D392A388-K390 VanDerWaalsContact C-N 3.31Å; A388-K390 CarbonylContact O-C 3.56Å; A388-K390 WeakPolarHBondContact O-CA 3.41Å; A388-K390 PolarHBondContact O-N 2.77Å; K390-D392 PolarHBondContact O-N 3.41Å; K390-D392 VanDerWaalsContact O-N 3.1Å
391A56.7Low81.2Confident35 Ų3555 Ų5529%0.28929%0.292SS..  trans-46.5115.9-162.500000111.3A388 E389 L393A388-A391 HydrophobicContact CB-CB 4.13Å; A388-A391 PolarHBondContact O-N 3.43Å; E389-A391 PolarHBondContact O-N 2.93Å; A391-L393 HydrophobicContact CB-CD2 4.37Å; A391-L393 WeakPolarHBondContact O-CD2 3.4Å; A391-L393 WeakPolarHBondContact O-CG 3.2Å; A391-L393 PolarHBondContact O-N 2.85Å
392D74.9Confident81.4Confident74 Ų7450.4 Ų50.440%0.39627%0.274SS..  trans-68.1104.4-177.3-170.15.9000109.1K390 G394 N418 Q526K390-D392 PolarHBondContact O-N 3.41Å; K390-D392 VanDerWaalsContact O-N 3.1Å; D392-G394 PolarHBondContact O-N 2.99Å; D392-G394 WeakPolarHBondContact OD1-CA 3.48Å; D392-G394 PolarHBondContact OD1-N 3.49Å; D392-N418 PolarHBondContact OD2-ND2 3.03Å; D392-Q526 PolarHBondContact OD1-NE2 2.71Å
393L88.9Confident81.5Confident4 Ų446.9 Ų46.92%0.02126%0.256CS..  trans-79.8-5.4177.2-50.7-175.5000111.2A391 L419 K420 I493 L527 E529A391-L393 HydrophobicContact CB-CD2 4.37Å; A391-L393 WeakPolarHBondContact O-CD2 3.4Å; A391-L393 WeakPolarHBondContact O-CG 3.2Å; A391-L393 PolarHBondContact O-N 2.85Å; L393-L419 WeakPolarHBondContact O-CA 3.4Å; L393-K420 HydrophobicContact CD2-CB 4.37Å; L393-K420 HydrophobicContact CD2-CD 3.57Å; L393-K420 PolarHBondContact O-N 2.96Å; L393-I493 WeakPolarHBondContact CD1-O 3.48Å; L393-L527 HydrophobicContact CB-CB 3.84Å; L393-E529 HydrophobicContact CD1-CG 3.89Å
394G89.8Confident81.5Confident0 Ų048.5 Ų48.50%027%0.267CS..  trans93.7179.7-172.200000113.3D392 T417 N418 Q526 L527D392-G394 PolarHBondContact O-N 2.99Å; D392-G394 WeakPolarHBondContact OD1-CA 3.48Å; D392-G394 PolarHBondContact OD1-N 3.49Å; G394-T417 CarbonylContact C-O 3.56Å; G394-T417 WeakPolarHBondContact CA-O 3.23Å; G394-N418 WeakPolarHBondContact CA-O 3.5Å; G394-N418 PolarHBondContact N-O 2.85Å; G394-Q526 PolarHBondContact O-NE2 3.43Å; G394-L527 WeakPolarHBondContact O-CB 3.45Å; G394-L527 WeakPolarHBondContact O-CG 3.48Å; G394-L527 PolarHBondContact O-N 2.8Å
395E90.3Very high81.7Confident76 Ų7651 Ų5136%0.35528%0.282SS..EExtended strand (participates in β ladder)trans-119.4145.7177.2-57.8-174.2104.200110.6A416 T417 W524 H525E395-A416 CarbonylContact O-C 3.58Å; E395-A416 WeakPolarHBondContact O-CA 3.42Å; E395-A416 WeakPolarHBondContact O-CB 3.22Å; E395-T417 PolarHBondContact N-O 3.02Å; E395-T417 PolarHBondContact O-N 2.89Å; E395-W524 HydrophobicContact CB-CE3 3.79Å; E395-W524 HydrophobicContact CB-CZ3 4.16Å; E395-H525 WeakPolarHBondContact CA-O 3.29Å
396L97.5Very high82.3Confident0 Ų048.4 Ų48.40%028%0.28CS..EExtended strand (participates in β ladder)trans-116.1127.2175.9-175.869.8000110.5F398 I413 A416 V432 I479 V481 H525 L527L396-F398 HydrophobicContact CD2-CD1 4Å; L396-F398 HydrophobicContact CD2-CE1 4.4Å; L396-F398 HydrophobicContact CG-CD1 4.07Å; L396-I413 HydrophobicContact CD1-CG2 4.17Å; L396-A416 HydrophobicContact CD1-CB 3.82Å; L396-V432 HydrophobicContact CD1-CG2 4.02Å; L396-V432 HydrophobicContact CD2-CG1 4.12Å; L396-I479 HydrophobicContact CD2-CB 4.5Å; L396-I479 HydrophobicContact CD2-CG2 3.52Å; L396-V481 HydrophobicContact CD1-CG2 4.14Å; L396-V481 HydrophobicContact CD2-CG2 4.13Å; L396-V481 HydrophobicContact CG-CG2 4.5Å; L396-H525 PolarHBondContact N-O 3.27Å; L396-H525 PolarHBondContact O-N 2.86Å; L396-L527 HydrophobicContact CB-CD2 3.98Å; L396-L527 HydrophobicContact CB-CG 4.41Å
397N97.3Very high84Confident1 Ų148.3 Ų48.31%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-100.1125.6170.5-175.4-31.6000110.1I414 K415 E522 W524N397-I414 PolarHBondContact O-N 3.07Å; N397-K415 HydrophobicContact CB-CG 4.02Å; N397-K415 PolarHBondContact N-O 3.38Å; N397-K415 PolarHBondContact O-N 3.08Å; N397-E522 PolarHBondContact ND2-OE1 2.76Å; N397-E522 WeakPolarHBondContact OD1-CG 3.34Å; N397-E522 PolarHBondContact OD1-OE1 2.68Å; N397-W524 HydrophobicContact CB-CD2 3.73Å; N397-W524 HydrophobicContact CB-CE3 3.62Å; N397-W524 HydrophobicContact CB-CG 4.46Å; N397-W524 HydrophobicContact CB-CH2 3.9Å; N397-W524 HydrophobicContact CB-CZ2 3.99Å; N397-W524 HydrophobicContact CB-CZ3 3.69Å; N397-W524 PolarHBondContact ND2-NE1 3.29Å
398F98.7Very high86.3Confident0 Ų047.2 Ų47.20%026%0.26CS..EExtended strand (participates in β ladder)trans-144.5160.2170.358.9-88.1000110.7L396 L400 T412 I413 I479 V498 H509 H523 H525L396-F398 HydrophobicContact CD2-CD1 4Å; L396-F398 HydrophobicContact CD2-CE1 4.4Å; L396-F398 HydrophobicContact CG-CD1 4.07Å; F398-L400 HydrophobicContact CD2-CD2 3.94Å; F398-L400 HydrophobicContact CD2-CG 4.05Å; F398-L400 HydrophobicContact CE2-CD1 4.19Å; F398-L400 HydrophobicContact CE2-CD2 3.9Å; F398-L400 HydrophobicContact CE2-CG 3.86Å; F398-T412 CarbonylContact C-O 3.6Å; F398-T412 WeakPolarHBondContact CA-O 3.41Å; F398-T412 WeakPolarHBondContact CB-O 3.43Å; F398-I413 HydrophobicContact CB-CD1 3.9Å; F398-I413 HydrophobicContact CG-CD1 4.49Å; F398-I479 HydrophobicContact CD1-CD1 4.1Å; F398-I479 HydrophobicContact CD2-CD1 3.99Å; F398-I479 HydrophobicContact CE1-CD1 3.84Å; F398-I479 HydrophobicContact CE2-CD1 3.73Å; F398-I479 HydrophobicContact CG-CD1 4.17Å; F398-I479 HydrophobicContact CZ-CD1 3.65Å; F398-V498 HydrophobicContact CE2-CG1 4.02Å; F398-V498 HydrophobicContact CZ-CG1 3.73Å; F398-H509 AromaticContact CD2-CE1 3.88Å; F398-H509 AromaticContact CE2-CE1 3.7Å; F398-H509 AromaticContact CE2-ND1 3.84Å; F398-H509 PolarHBondContact O-CE1 2.99Å; F398-H523 PolarHBondContact N-O 3.28Å; F398-H523 PolarHBondContact O-N 2.9Å; F398-H523 VanDerWaalsContact O-N 3.11Å; F398-H525 HydrophobicContact CE1-CB 4.17Å; F398-H525 AromaticContact CE1-CD2 3.23Å; F398-H525 WeakPolarHBondContact CE1-CD2 3.43Å; F398-H525 AromaticContact CE1-CG 3.85Å; F398-H525 AromaticContact CE1-NE2 3.91Å; F398-H525 AromaticContact CZ-CD2 3.24Å; F398-H525 WeakPolarHBondContact CZ-CD2 3.5Å; F398-H525 AromaticContact CZ-NE2 3.38Å; F398-H525 WeakPolarHBondContact CZ-NE2 3.41Å
399S98.6Very high88.7Confident10 Ų1045.3 Ų45.37%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-112.4135.7170.975.10000112.6A411 T412 I521S399-A411 WeakPolarHBondContact O-CA 3.48Å; S399-T412 PolarHBondContact N-O 3.4Å; S399-T412 PolarHBondContact O-N 2.83Å; S399-T412 WeakPolarHBondContact OG-CB 3.17Å; S399-I521 CarbonylContact C-O 3.51Å; S399-I521 WeakPolarHBondContact CA-O 3.44Å; S399-I521 WeakPolarHBondContact CB-O 3.48Å
400L98.6Very high91.2Very high0 Ų040.7 Ų40.70%023%0.225CC..EExtended strand (participates in β ladder)trans-101.9138171.3-60.5178.7000111.3F398 A411 V498 H509 W510 M513 P520 I521F398-L400 HydrophobicContact CD2-CD2 3.94Å; F398-L400 HydrophobicContact CD2-CG 4.05Å; F398-L400 HydrophobicContact CE2-CD1 4.19Å; F398-L400 HydrophobicContact CE2-CD2 3.9Å; F398-L400 HydrophobicContact CE2-CG 3.86Å; L400-A411 HydrophobicContact CD2-CB 3.74Å; L400-V498 HydrophobicContact CD1-CB 4.22Å; L400-V498 HydrophobicContact CD1-CG1 4.31Å; L400-V498 HydrophobicContact CD1-CG2 4.06Å; L400-H509 WeakPolarHBondContact CB-NE2 3.18Å; L400-H509 WeakPolarHBondContact CG-NE2 3.38Å; L400-H509 PolarHBondContact N-NE2 2.74Å; L400-W510 HydrophobicContact CD1-CE3 3.93Å; L400-W510 HydrophobicContact CD1-CZ3 4.41Å; L400-M513 HydrophobicContact CB-CB 4.17Å; L400-M513 HydrophobicContact CB-CG 3.97Å; L400-M513 HydrophobicContact CB-SD 3.62Å; L400-M513 HydrophobicContact CD1-SD 4.22Å; L400-M513 HydrophobicContact CG-SD 4.48Å; L400-P520 WeakPolarHBondContact O-CA 3.41Å; L400-I521 PolarHBondContact N-O 3.11Å; L400-I521 PolarHBondContact O-N 3.03Å
401C98.4Very high93.4Very high16 Ų1631.4 Ų31.411%0.10818%0.184CC..EExtended strand (participates in β ladder)trans-141.8119.6173.7179.40000110.6T410 R518 P520C401-T410 PolarHBondContact N-O 2.81Å; C401-T410 PolarHBondContact O-N 2.84Å; C401-R518 VanDerWaalsContact SG-C 3.59Å; C401-P520 HydrophobicContact CB-CB 4.37Å; C401-P520 HydrophobicContact CB-CG 4.23Å
402Y98.2Very high95.4Very high3 Ų331.5 Ų31.51%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-104.4143.2175.4-169.1-122.5000113P404 R408 L409 I467 N469 I472 L514 R518Y402-P404 HydrophobicContact CD1-CG 3.76Å; Y402-P404 HydrophobicContact CE1-CB 4.14Å; Y402-P404 HydrophobicContact CE1-CG 3.79Å; Y402-R408 VanDerWaalsContact CD2-O 3.24Å; Y402-R408 WeakPolarHBondContact CD2-O 3.42Å; Y402-L409 HydrophobicContact CD2-CB 3.88Å; Y402-L409 HydrophobicContact CE2-CB 4.41Å; Y402-I467 HydrophobicContact CE2-CB 4.49Å; Y402-I467 PolarHBondContact OH-O 2.95Å; Y402-N469 VanDerWaalsContact OH-CA 3.23Å; Y402-N469 WeakPolarHBondContact OH-CA 3.23Å; Y402-N469 PolarHBondContact OH-N 3Å; Y402-I472 HydrophobicContact CD1-CD1 4.4Å; Y402-I472 HydrophobicContact CD1-CG1 4.06Å; Y402-I472 HydrophobicContact CD2-CD1 3.84Å; Y402-I472 HydrophobicContact CD2-CG1 4.4Å; Y402-I472 HydrophobicContact CE1-CB 4.16Å; Y402-I472 HydrophobicContact CE1-CD1 4.25Å; Y402-I472 HydrophobicContact CE1-CG1 3.85Å; Y402-I472 HydrophobicContact CE1-CG2 4.36Å; Y402-I472 HydrophobicContact CE2-CD1 3.68Å; Y402-I472 HydrophobicContact CE2-CG1 4.22Å; Y402-I472 HydrophobicContact CG-CD1 4.22Å; Y402-I472 HydrophobicContact CG-CG1 4.35Å; Y402-L514 HydrophobicContact CD1-CD2 4.21Å; Y402-R518 PolarHBondContact O-N 3.34Å
403L97.5Very high96.5Very high44 Ų4428 Ų2823%0.2316%0.163CC..EExtended strand (participates in β ladder)trans-122.886.2178.1-72134.9000109.5T405 A406 G407 R408 R518L403-T405 PolarHBondContact O-N 2.85Å; L403-A406 HydrophobicContact CB-CB 4.12Å; L403-A406 CarbonylContact O-C 3.09Å; L403-A406 PolarHBondContact O-N 2.93Å; L403-G407 PolarHBondContact O-N 2.81Å; L403-R408 HydrophobicContact CB-CB 4.42Å; L403-R408 HydrophobicContact CD1-CB 4.46Å; L403-R408 PolarHBondContact N-O 2.94Å; L403-R408 PolarHBondContact O-N 2.9Å; L403-R518 HydrophobicContact CD2-CG 3.94Å
404P95.9Very high97Very high42 Ų4229 Ų2927%0.27317%0.168SC..G310 helixtrans-47.9-51.6-178.4-33.737.7000114.6Y402 A406 G407 N469 P517Y402-P404 HydrophobicContact CD1-CG 3.76Å; Y402-P404 HydrophobicContact CE1-CB 4.14Å; Y402-P404 HydrophobicContact CE1-CG 3.79Å; P404-A406 PolarHBondContact O-N 3.1Å; P404-A406 VanDerWaalsContact O-N 3.17Å; P404-G407 PolarHBondContact O-N 2.72Å; P404-G407 VanDerWaalsContact O-N 3.07Å; P404-N469 WeakPolarHBondContact CB-OD1 3.25Å; P404-P517 HydrophobicContact CG-CB 4.27Å
405T95.2Very high97.2Very high153 Ų15332.7 Ų32.794%0.93918%0.184SC*.G310 helixtrans-64-21.9-177.1-40.80000113.8L403L403-T405 PolarHBondContact O-N 2.85Å
406A95.5Very high97.6Very high55 Ų5529.1 Ų29.146%0.45517%0.168SC..G310 helixtrans-106.61.9178.800000112.6L403 P404 R408L403-A406 HydrophobicContact CB-CB 4.12Å; L403-A406 CarbonylContact O-C 3.09Å; L403-A406 PolarHBondContact O-N 2.93Å; P404-A406 PolarHBondContact O-N 3.1Å; P404-A406 VanDerWaalsContact O-N 3.17Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 HydrophobicContact CB-CB 4.31Å; A406-R408 PolarHBondContact O-N 3.05Å
407G96.7Very high97Very high16 Ų1631 Ų3117%0.16518%0.179CC..THydrogen-bonded Turntrans50.643.1-173.900000113L403 P404 D466 I467L403-G407 PolarHBondContact O-N 2.81Å; P404-G407 PolarHBondContact O-N 2.72Å; P404-G407 VanDerWaalsContact O-N 3.07Å; G407-D466 CarbonylContact O-C 3.51Å; G407-D466 WeakPolarHBondContact O-CA 3.24Å; G407-I467 CarbonylContact C-O 3.48Å; G407-I467 WeakPolarHBondContact CA-O 3.45Å; G407-I467 CarbonylContact O-C 3.37Å; G407-I467 PolarHBondContact O-N 3.25Å; G407-I467 VanDerWaalsContact O-O 3.05Å
408R97.4Very high96.5Very high103 Ų10335.4 Ų35.439%0.38920%0.202SC..EExtended strand (participates in β ladder)trans-133124.3-168.3-169169.566.6-143.42.5113.8Y402 L403 A406 V464Y402-R408 VanDerWaalsContact CD2-O 3.24Å; Y402-R408 WeakPolarHBondContact CD2-O 3.42Å; L403-R408 HydrophobicContact CB-CB 4.42Å; L403-R408 HydrophobicContact CD1-CB 4.46Å; L403-R408 PolarHBondContact N-O 2.94Å; L403-R408 PolarHBondContact O-N 2.9Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 HydrophobicContact CB-CB 4.31Å; A406-R408 PolarHBondContact O-N 3.05Å; R408-V464 HydrophobicContact CG-CG1 3.76Å
409L98.1Very high96.2Very high0 Ų035.5 Ų35.50%020%0.203CC..EExtended strand (participates in β ladder)trans-106.3127.1172.8177.852.5000110.2Y402 F465 I467 I477 W510 M513Y402-L409 HydrophobicContact CD2-CB 3.88Å; Y402-L409 HydrophobicContact CE2-CB 4.41Å; L409-F465 HydrophobicContact CB-CB 4.46Å; L409-F465 PolarHBondContact N-O 2.98Å; L409-F465 PolarHBondContact O-N 3Å; L409-I467 HydrophobicContact CB-CD1 3.83Å; L409-I467 HydrophobicContact CD2-CD1 3.68Å; L409-I467 HydrophobicContact CG-CD1 4.38Å; L409-I477 HydrophobicContact CD2-CD1 3.63Å; L409-I477 HydrophobicContact CD2-CG1 4.5Å; L409-I477 HydrophobicContact CG-CD1 4.41Å; L409-W510 HydrophobicContact CD2-CH2 3.5Å; L409-W510 HydrophobicContact CD2-CZ3 3.7Å; L409-M513 HydrophobicContact CD1-CE 4.4Å; L409-M513 HydrophobicContact CD1-SD 3.37Å; L409-M513 WeakPolarHBondContact CD1-SD 3.28Å
410T98.4Very high95.7Very high27 Ų2738.3 Ų38.317%0.16621%0.214CC..EExtended strand (participates in β ladder)trans-109.9123.6170.5-55.10000109.3C401 A462 V464C401-T410 PolarHBondContact N-O 2.81Å; C401-T410 PolarHBondContact O-N 2.84Å; T410-A462 HydrophobicContact CG2-CB 3.98Å; T410-V464 HydrophobicContact CG2-CG2 4.39Å
411A98.5Very high95.2Very high0 Ų039.3 Ų39.30%022%0.222CC..EExtended strand (participates in β ladder)trans-109.6101169.800000108.9S399 L400 I413 L463S399-A411 WeakPolarHBondContact O-CA 3.48Å; L400-A411 HydrophobicContact CD2-CB 3.74Å; A411-I413 PolarHBondContact O-N 2.79Å; A411-L463 PolarHBondContact N-O 2.94Å; A411-L463 WeakPolarHBondContact O-CB 3.22Å; A411-L463 PolarHBondContact O-N 2.94Å
412T98.8Very high94.6Very high37 Ų3739.2 Ų39.223%0.22722%0.22CC..EExtended strand (participates in β ladder)trans-85.9111.6178.5-48.30000109.3F398 S399 I414 E461F398-T412 CarbonylContact C-O 3.6Å; F398-T412 WeakPolarHBondContact CA-O 3.41Å; F398-T412 WeakPolarHBondContact CB-O 3.43Å; S399-T412 PolarHBondContact N-O 3.4Å; S399-T412 PolarHBondContact O-N 2.83Å; S399-T412 WeakPolarHBondContact OG-CB 3.17Å; T412-I414 HydrophobicContact CG2-CG1 4.44Å; T412-I414 PolarHBondContact O-N 3.05Å; T412-E461 WeakPolarHBondContact CA-O 3.3Å
413I98.8Very high93.9Very high0 Ų041.3 Ų41.30%023%0.232CC..EExtended strand (participates in β ladder)trans-78.3115.7174.1-52.3-52.7000107.8L396 F398 A411 V432 T448 Y459 N460 E461 L463 I479L396-I413 HydrophobicContact CD1-CG2 4.17Å; F398-I413 HydrophobicContact CB-CD1 3.9Å; F398-I413 HydrophobicContact CG-CD1 4.49Å; A411-I413 PolarHBondContact O-N 2.79Å; I413-V432 HydrophobicContact CD1-CG1 4Å; I413-V432 HydrophobicContact CG1-CB 4.39Å; I413-V432 HydrophobicContact CG1-CG1 4.1Å; I413-V432 HydrophobicContact CG2-CB 4.07Å; I413-V432 HydrophobicContact CG2-CG1 4.25Å; I413-V432 HydrophobicContact CG2-CG2 3.78Å; I413-T448 HydrophobicContact CB-CG2 3.9Å; I413-T448 HydrophobicContact CG1-CG2 3.85Å; I413-T448 HydrophobicContact CG2-CG2 4.12Å; I413-Y459 HydrophobicContact CG2-CD2 3.64Å; I413-Y459 HydrophobicContact CG2-CE2 4.22Å; I413-Y459 HydrophobicContact CG2-CG 4.05Å; I413-N460 CarbonylContact O-C 3.58Å; I413-N460 VanDerWaalsContact O-CA 3.24Å; I413-N460 WeakPolarHBondContact O-CA 3.48Å; I413-N460 PolarHBondContact O-N 3.08Å; I413-E461 PolarHBondContact N-O 2.98Å; I413-E461 PolarHBondContact O-N 3Å; I413-L463 HydrophobicContact CD1-CD1 4.22Å; I413-L463 HydrophobicContact CG1-CD1 3.68Å; I413-L463 HydrophobicContact CG1-CG 4.06Å; I413-I479 HydrophobicContact CD1-CG2 4.3Å
414I97.9Very high92.8Very high27 Ų2747 Ų4714%0.13826%0.262CS..EExtended strand (participates in β ladder)trans-92.7-64.5-173.1-60.5-179.6000109.3N397 T412 Y459 N460 E522N397-I414 PolarHBondContact O-N 3.07Å; T412-I414 HydrophobicContact CG2-CG1 4.44Å; T412-I414 PolarHBondContact O-N 3.05Å; I414-Y459 PolarHBondContact O-N 2.95Å; I414-N460 PolarHBondContact O-N 3.37Å; I414-N460 VanDerWaalsContact O-N 3.17Å; I414-E522 HydrophobicContact CD1-CG 3.9Å
415K95.8Very high92Very high77 Ų7749.1 Ų49.134%0.33527%0.274SS..EExtended strand (participates in β ladder)trans-160.3163.3-177.759.8-176170.6174.60111.6N397 P457 T458 W524N397-K415 HydrophobicContact CB-CG 4.02Å; N397-K415 PolarHBondContact N-O 3.38Å; N397-K415 PolarHBondContact O-N 3.08Å; K415-P457 CarbonylContact C-O 3.57Å; K415-P457 WeakPolarHBondContact CA-O 3.45Å; K415-P457 WeakPolarHBondContact CB-O 3.46Å; K415-T458 HydrophobicContact CB-CG2 4.47Å; K415-W524 HydrophobicContact CD-CH2 4.15Å; K415-W524 HydrophobicContact CD-CZ2 4.49Å; K415-W524 VanDerWaalsContact CE-CZ2 3.48Å; K415-W524 HydrophobicContact CG-CH2 4.05Å
416A96.9Very high91.2Very high1 Ų143.8 Ų43.81%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-122.3159.3164.200000110.4E395 L396 L419 N456 P457E395-A416 CarbonylContact O-C 3.58Å; E395-A416 WeakPolarHBondContact O-CA 3.42Å; E395-A416 WeakPolarHBondContact O-CB 3.22Å; L396-A416 HydrophobicContact CD1-CB 3.82Å; A416-L419 HydrophobicContact CB-CD1 4.01Å; A416-L419 HydrophobicContact CB-CD2 3.87Å; A416-L419 HydrophobicContact CB-CG 3.98Å; A416-N456 CarbonylContact O-C 3.6Å; A416-N456 VanDerWaalsContact O-CA 3.26Å; A416-N456 WeakPolarHBondContact O-CA 3.42Å; A416-P457 HydrophobicContact CB-CG 3.9Å; A416-P457 PolarHBondContact N-O 3.05Å
417T85.8Confident90.8Very high39 Ų3945.2 Ų45.224%0.23925%0.246CC..EExtended strand (participates in β ladder)trans-138.7150.7178.141.60000111.9G394 E395 L419 N456 W524G394-T417 CarbonylContact C-O 3.56Å; G394-T417 WeakPolarHBondContact CA-O 3.23Å; E395-T417 PolarHBondContact N-O 3.02Å; E395-T417 PolarHBondContact O-N 2.89Å; T417-L419 PolarHBondContact O-N 2.89Å; T417-N456 VanDerWaalsContact CA-OD1 3.25Å; T417-N456 WeakPolarHBondContact CA-OD1 3.5Å; T417-W524 HydrophobicContact CG2-CH2 3.99Å; T417-W524 HydrophobicContact CG2-CZ3 4.36Å; T417-W524 WeakPolarHBondContact OG1-CH2 3.4Å; T417-W524 WeakPolarHBondContact OG1-CZ3 3.41Å
418N87.3Confident90.7Very high93 Ų9344.5 Ų44.550%0.49724%0.238SC..SBendtrans51.135.9-179.6-154.842.9000115D392 G394 L455 N456D392-N418 PolarHBondContact OD2-ND2 3.03Å; G394-N418 WeakPolarHBondContact CA-O 3.5Å; G394-N418 PolarHBondContact N-O 2.85Å; N418-L455 PolarHBondContact N-O 3.13Å; N418-N456 PolarHBondContact N-OD1 3.33Å
419L91.1Very high90.6Very high3 Ų340.5 Ų40.52%0.01622%0.224CC..  trans-58.5141179.1-66.7179000111.5L393 A416 T417 A421 P430 L455 P457 V481 I493 L527L393-L419 WeakPolarHBondContact O-CA 3.4Å; A416-L419 HydrophobicContact CB-CD1 4.01Å; A416-L419 HydrophobicContact CB-CD2 3.87Å; A416-L419 HydrophobicContact CB-CG 3.98Å; T417-L419 PolarHBondContact O-N 2.89Å; L419-A421 PolarHBondContact O-N 3.29Å; L419-P430 HydrophobicContact CD1-CB 3.72Å; L419-P430 HydrophobicContact CD1-CG 3.93Å; L419-L455 HydrophobicContact CB-CB 4.35Å; L419-L455 WeakPolarHBondContact CB-O 3.25Å; L419-L455 PolarHBondContact N-O 3.5Å; L419-L455 WeakPolarHBondContact O-CD2 3.28Å; L419-P457 HydrophobicContact CD1-CG 3.72Å; L419-V481 HydrophobicContact CD1-CG1 3.97Å; L419-V481 HydrophobicContact CD2-CG1 4.06Å; L419-I493 HydrophobicContact CB-CG2 4.39Å; L419-I493 HydrophobicContact CD1-CD1 4.38Å; L419-I493 HydrophobicContact CD2-CG2 4.39Å; L419-L527 HydrophobicContact CD2-CD1 3.59Å
420K88.2Confident90.6Very high69 Ų6940.5 Ų40.530%0.322%0.224SC..  trans-62.6116.7171.3171.4-175171.5-172.40109.6L393 M422 S428 I493L393-K420 HydrophobicContact CD2-CB 4.37Å; L393-K420 HydrophobicContact CD2-CD 3.57Å; L393-K420 PolarHBondContact O-N 2.96Å; K420-M422 HydrophobicContact CB-SD 4.32Å; K420-M422 HydrophobicContact CD-SD 3.8Å; K420-M422 HydrophobicContact CG-SD 3.76Å; K420-M422 PolarHBondContact O-N 3.17Å; K420-S428 PolarHBondContact O-OG 3.35Å; K420-I493 HydrophobicContact CB-CG2 3.99Å; K420-I493 WeakPolarHBondContact O-CG2 3.35Å
421A88.6Confident90.6Very high21 Ų2139.7 Ų39.717%0.17422%0.218CC..  trans-59.4108179.400000112.6R355 L419 G426 F427 L455R355-A421 PolarHBondContact NH1-O 2.94Å; R355-A421 PolarHBondContact NH2-O 3.25Å; L419-A421 PolarHBondContact O-N 3.29Å; A421-G426 WeakPolarHBondContact CB-O 3.31Å; A421-F427 CarbonylContact C-O 3.59Å; A421-F427 VanDerWaalsContact C-O 3.3Å; A421-F427 WeakPolarHBondContact CA-O 3.41Å; A421-F427 WeakPolarHBondContact CB-O 3.49Å; A421-L455 HydrophobicContact CB-CD1 4.05Å; A421-L455 HydrophobicContact CB-CD2 3.79Å
422M86.3Confident90.6Very high13 Ų1339.7 Ų39.76%0.06422%0.218CC..  trans-37.1-67162.223.8-104.2-76.300114.9R355 K420 F427 S428 D483 E491 I493R355-M422 PolarHBondContact NE-O 3.36Å; R355-M422 PolarHBondContact NH2-O 3.01Å; R355-M422 PolarHBondContact NH2-SD 2.86Å; K420-M422 HydrophobicContact CB-SD 4.32Å; K420-M422 HydrophobicContact CD-SD 3.8Å; K420-M422 HydrophobicContact CG-SD 3.76Å; K420-M422 PolarHBondContact O-N 3.17Å; M422-F427 PolarHBondContact N-O 2.94Å; M422-S428 PolarHBondContact N-OG 3.15Å; M422-D483 WeakPolarHBondContact CA-OD2 3.46Å; M422-D483 HydrophobicContact CB-CB 4.28Å; M422-D483 WeakPolarHBondContact CB-OD2 3.4Å; M422-D483 HydrophobicContact CG-CB 4.07Å; M422-D483 WeakPolarHBondContact CG-OD2 3.49Å; M422-E491 HydrophobicContact CE-CB 3.96Å; M422-E491 WeakPolarHBondContact CE-OE2 3.41Å; M422-I493 HydrophobicContact CG-CB 4.49Å; M422-I493 HydrophobicContact CG-CD1 4.2Å; M422-I493 HydrophobicContact CG-CG1 3.75Å; M422-I493 HydrophobicContact SD-CB 4.32Å; M422-I493 HydrophobicContact SD-CG1 4.22Å; M422-I493 HydrophobicContact SD-CG2 4.13Å
423D83.3Confident90.6Very high48 Ų4839.8 Ų39.826%0.25722%0.216SC..SBendtrans-82.4158.9-157.3-71.2-59.5000114.8T425 G426 F427 S428D423-T425 HydrophobicContact CB-CG2 4.14Å; D423-T425 WeakPolarHBondContact CB-OG1 3.48Å; D423-T425 PolarHBondContact O-N 3.05Å; D423-T425 VanDerWaalsContact O-N 3.17Å; D423-G426 PolarHBondContact O-N 3.49Å; D423-G426 VanDerWaalsContact O-N 3.08Å; D423-F427 PolarHBondContact N-O 3.49Å; D423-S428 WeakPolarHBondContact OD2-CA 3.38Å
424L74.7Confident90.6Very high163 Ų16339.8 Ų39.885%0.85322%0.216SC*.THydrogen-bonded Turntrans-61.7-14.2161.2-62.3178.5000113.3G426L424-G426 VanDerWaalsContact C-N 3.28Å
425T77.7Confident90.6Very high86 Ų8638.8 Ų38.853%0.52821%0.211SC..THydrogen-bonded Turntrans-73.9-16.9173.267.30000113.1D423 F427D423-T425 HydrophobicContact CB-CG2 4.14Å; D423-T425 WeakPolarHBondContact CB-OG1 3.48Å; D423-T425 PolarHBondContact O-N 3.05Å; D423-T425 VanDerWaalsContact O-N 3.17Å; T425-F427 PolarHBondContact OG1-N 3.03Å
426G79Confident90.6Very high42 Ų4235.5 Ų35.543%0.43320%0.197SC..SBendtrans84.912.7-169.700000114.4A421 D423 L424A421-G426 WeakPolarHBondContact CB-O 3.31Å; D423-G426 PolarHBondContact O-N 3.49Å; D423-G426 VanDerWaalsContact O-N 3.08Å; L424-G426 VanDerWaalsContact C-N 3.28Å
427F88.3Confident90.5Very high85 Ų8536 Ų3637%0.37320%0.2SC..  trans-124.5-161.9175.8-65.9-84.3000111.9A421 M422 D423 T425 N453 L455A421-F427 CarbonylContact C-O 3.59Å; A421-F427 VanDerWaalsContact C-O 3.3Å; A421-F427 WeakPolarHBondContact CA-O 3.41Å; A421-F427 WeakPolarHBondContact CB-O 3.49Å; M422-F427 PolarHBondContact N-O 2.94Å; D423-F427 PolarHBondContact N-O 3.49Å; T425-F427 PolarHBondContact OG1-N 3.03Å; F427-N453 HydrophobicContact CB-CB 4.38Å; F427-N453 WeakPolarHBondContact CD1-ND2 3.41Å; F427-N453 VanDerWaalsContact CD2-ND2 3.27Å; F427-N453 WeakPolarHBondContact CD2-ND2 3.43Å; F427-N453 WeakPolarHBondContact CD2-OD1 3.08Å; F427-N453 WeakPolarHBondContact CG-ND2 3.48Å; F427-L455 HydrophobicContact CD1-CG 4.38Å
428S93.1Very high90.7Very high0 Ų034.3 Ų34.30%019%0.189CC..  trans-148.8158.4173.4-800000108.7K420 M422 D423 P430 N453 T454 D483K420-S428 PolarHBondContact O-OG 3.35Å; M422-S428 PolarHBondContact N-OG 3.15Å; D423-S428 WeakPolarHBondContact OD2-CA 3.38Å; S428-P430 WeakPolarHBondContact O-CD 3.24Å; S428-N453 CarbonylContact O-C 3.44Å; S428-N453 WeakPolarHBondContact O-CA 3.3Å; S428-N453 PolarHBondContact O-N 3Å; S428-T454 PolarHBondContact O-N 3.15Å; S428-D483 WeakPolarHBondContact CA-OD2 3.48Å; S428-D483 WeakPolarHBondContact CB-OD2 3.5Å; S428-D483 PolarHBondContact OG-OD2 3.36Å
429D96.4Very high90.6Very high20 Ų2034 Ų3411%0.10719%0.188CC..  trans-104.366.4162.5-87.813000110.1I450 K451 K452 N453 D483 Y484D429-I450 HydrophobicContact CB-CG2 4.05Å; D429-I450 WeakPolarHBondContact O-CG2 3.43Å; D429-K451 CarbonylContact C-O 3.56Å; D429-K451 WeakPolarHBondContact CA-O 3.44Å; D429-K452 WeakPolarHBondContact OD1-CA 3.45Å; D429-K452 WeakPolarHBondContact OD1-CB 3.28Å; D429-K452 WeakPolarHBondContact OD2-CG 3.42Å; D429-K452 IonicContact OD2-NZ 2.78Å; D429-K452 PolarHBondContact OD2-NZ 2.92Å; D429-N453 PolarHBondContact OD1-N 3.15Å; D429-D483 WeakPolarHBondContact CA-OD1 3.44Å; D429-D483 PolarHBondContact N-OD1 3Å; D429-Y484 HydrophobicContact CB-CD1 4.46Å; D429-Y484 VanDerWaalsContact O-CB 3.31Å; D429-Y484 WeakPolarHBondContact O-CB 3.19Å; D429-Y484 PolarHBondContact O-N 2.05Å; D429-Y484 VanDerWaalsContact O-N 3.15Å
430P97.9Very high90.1Very high0 Ų035.3 Ų35.30%020%0.202CC..  trans-70.8146.2-166.930.8-39.8000115L419 S428 K451 T454 P457 Y459 V481 M482 I493L419-P430 HydrophobicContact CD1-CB 3.72Å; L419-P430 HydrophobicContact CD1-CG 3.93Å; S428-P430 WeakPolarHBondContact O-CD 3.24Å; P430-K451 WeakPolarHBondContact CD-O 3.23Å; P430-K451 VanDerWaalsContact N-O 3.13Å; P430-K451 PolarHBondContact O-N 2.87Å; P430-T454 VanDerWaalsContact CD-O 3.32Å; P430-T454 WeakPolarHBondContact CD-O 3.05Å; P430-T454 HydrophobicContact CG-CG2 4.09Å; P430-T454 WeakPolarHBondContact CG-O 3.45Å; P430-P457 HydrophobicContact CB-CG 4.24Å; P430-P457 HydrophobicContact CG-CB 3.88Å; P430-P457 HydrophobicContact CG-CG 3.64Å; P430-Y459 PolarHBondContact O-OH 3.3Å; P430-V481 HydrophobicContact CB-CG1 4.17Å; P430-M482 CarbonylContact C-O 3.13Å; P430-M482 VanDerWaalsContact CA-O 3.29Å; P430-M482 WeakPolarHBondContact CA-O 3.35Å; P430-I493 HydrophobicContact CB-CD1 4.13Å
431Y98.6Very high90.1Very high9 Ų941.3 Ų41.34%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-141.5158162.972-86.6000111.6K433 K447 S449 I450 M482 D483Y431-K433 HydrophobicContact CE2-CB 4.34Å; Y431-K447 HydrophobicContact CD2-CD 3.94Å; Y431-K447 HydrophobicContact CD2-CG 4.31Å; Y431-K447 HydrophobicContact CE2-CD 3.54Å; Y431-K447 VanDerWaalsContact CE2-CE 3.41Å; Y431-K447 HydrophobicContact CE2-CG 4.15Å; Y431-K447 VanDerWaalsContact CZ-NZ 3.26Å; Y431-K447 PolarHBondContact OH-NZ 3.28Å; Y431-S449 WeakPolarHBondContact CB-O 3.33Å; Y431-I450 HydrophobicContact CD1-CG1 3.86Å; Y431-I450 HydrophobicContact CG-CG1 4.07Å; Y431-M482 HydrophobicContact CD1-CB 3.88Å; Y431-M482 HydrophobicContact CD2-CB 4.09Å; Y431-M482 HydrophobicContact CD2-CG 4.3Å; Y431-M482 HydrophobicContact CE1-CB 3.43Å; Y431-M482 VanDerWaalsContact CE1-CB 3.43Å; Y431-M482 HydrophobicContact CE1-CG 4.28Å; Y431-M482 HydrophobicContact CE2-CB 3.62Å; Y431-M482 HydrophobicContact CE2-CG 3.6Å; Y431-M482 HydrophobicContact CG-CB 4.2Å; Y431-M482 PolarHBondContact N-O 3.11Å; Y431-M482 PolarHBondContact O-N 2.76Å; Y431-D483 VanDerWaalsContact CE1-O 3.29Å; Y431-D483 WeakPolarHBondContact CE1-O 3.28Å
432V98.7Very high90.3Very high0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-105.3138.6-178.1-175.40000111.3L396 I413 K447 T448 Y459 I479 V481L396-V432 HydrophobicContact CD1-CG2 4.02Å; L396-V432 HydrophobicContact CD2-CG1 4.12Å; I413-V432 HydrophobicContact CD1-CG1 4Å; I413-V432 HydrophobicContact CG1-CB 4.39Å; I413-V432 HydrophobicContact CG1-CG1 4.1Å; I413-V432 HydrophobicContact CG2-CB 4.07Å; I413-V432 HydrophobicContact CG2-CG1 4.25Å; I413-V432 HydrophobicContact CG2-CG2 3.78Å; V432-K447 CarbonylContact O-C 3.38Å; V432-K447 VanDerWaalsContact O-CA 3.23Å; V432-K447 WeakPolarHBondContact O-CA 3.4Å; V432-T448 HydrophobicContact CB-CG2 3.95Å; V432-T448 PolarHBondContact N-OG1 2.88Å; V432-T448 PolarHBondContact O-N 2.81Å; V432-Y459 HydrophobicContact CG2-CD2 4.43Å; V432-Y459 HydrophobicContact CG2-CE1 4.4Å; V432-Y459 HydrophobicContact CG2-CE2 3.75Å; V432-I479 HydrophobicContact CG1-CG2 3.34Å; V432-V481 HydrophobicContact CG2-CG2 4.21Å
433K98.4Very high90.6Very high40 Ų4050.6 Ų50.617%0.17426%0.256CS..EExtended strand (participates in β ladder)trans-124.594.9-175.9-179.1-169.975.3-163.10109.6Y431 K447 A480 M482Y431-K433 HydrophobicContact CE2-CB 4.34Å; K433-K447 HydrophobicContact CB-CG 4.48Å; K433-K447 HydrophobicContact CG-CG 4.47Å; K433-A480 PolarHBondContact N-O 3.14Å; K433-A480 PolarHBondContact O-N 2.83Å; K433-A480 VanDerWaalsContact O-N 3.07Å; K433-M482 HydrophobicContact CB-CG 3.89Å; K433-M482 HydrophobicContact CD-CG 4.2Å; K433-M482 HydrophobicContact CD-SD 4.1Å; K433-M482 PolarHBondContact NZ-SD 3.11Å
434A98.2Very high91.1Very high0 Ų051 Ų510%026%0.256CS..EExtended strand (participates in β ladder)trans-86.7129.1175.400000110.9K445 R446 L463 F465 I477 I479A434-K445 WeakPolarHBondContact O-CA 3.46Å; A434-R446 PolarHBondContact N-O 2.84Å; A434-R446 PolarHBondContact O-N 2.87Å; A434-L463 HydrophobicContact CB-CD1 3.67Å; A434-F465 HydrophobicContact CB-CE2 4.11Å; A434-F465 HydrophobicContact CB-CZ 3.77Å; A434-I477 HydrophobicContact CB-CG2 4.08Å; A434-I479 HydrophobicContact CB-CG1 4.26Å
435S97.5Very high92.2Very high5 Ų550.3 Ų50.34%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-126.1117.8-176.1-59.70000110.7K444 I477 I478S435-K444 WeakPolarHBondContact CA-O 3.21Å; S435-I477 WeakPolarHBondContact O-CA 3.41Å; S435-I478 PolarHBondContact N-O 2.88Å; S435-I478 PolarHBondContact O-N 3.43Å
436L96.6Very high93.2Very high8 Ų850.4 Ų50.44%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-77.4127173.9179.465.3000109.8R442 L443 K444 F465 I467 V475 I477L436-R442 CarbonylContact O-C 3.48Å; L436-R442 WeakPolarHBondContact O-CA 3.32Å; L436-L443 HydrophobicContact CD2-CB 4.49Å; L436-L443 PolarHBondContact O-N 3.34Å; L436-K444 HydrophobicContact CB-CB 4.4Å; L436-K444 PolarHBondContact N-O 2.85Å; L436-F465 HydrophobicContact CB-CD1 3.79Å; L436-F465 HydrophobicContact CB-CE1 3.93Å; L436-F465 HydrophobicContact CD2-CD1 4.31Å; L436-I467 HydrophobicContact CD1-CD1 3.64Å; L436-I467 HydrophobicContact CD1-CG1 4.37Å; L436-I467 HydrophobicContact CD2-CD1 4.14Å; L436-I467 HydrophobicContact CD2-CG1 3.99Å; L436-V475 HydrophobicContact CD1-CB 3.89Å; L436-V475 HydrophobicContact CD1-CG1 4.29Å; L436-V475 HydrophobicContact CD1-CG2 4.21Å; L436-I477 HydrophobicContact CD1-CG1 4.21Å
437I94.6Very high94.1Very high13 Ų1353.8 Ų53.87%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-120.7135.9-177.7-44.4-59.5000109.5R441 R442 V475 S476 I478I437-R441 CarbonylContact C-O 3.59Å; I437-R441 VanDerWaalsContact CA-O 3.31Å; I437-R441 WeakPolarHBondContact CA-O 3.4Å; I437-R442 HydrophobicContact CD1-CB 3.71Å; I437-R442 HydrophobicContact CD1-CG 4.01Å; I437-V475 VanDerWaalsContact O-CA 3.28Å; I437-V475 WeakPolarHBondContact O-CA 3.44Å; I437-S476 PolarHBondContact N-O 3.48Å; I437-S476 PolarHBondContact O-N 3.14Å; I437-I478 HydrophobicContact CD1-CD1 4.22Å; I437-I478 HydrophobicContact CG1-CD1 3.89Å; I437-I478 HydrophobicContact CG1-CG1 3.95Å
438C91.1Very high94.6Very high3 Ų350.3 Ų50.32%0.0223%0.225CC..EExtended strand (participates in β ladder)trans-134.1133.6168.1-165.60000107.8G440 R441 L443 V475C438-G440 PolarHBondContact O-N 3.47Å; C438-G440 VanDerWaalsContact O-N 3.15Å; C438-R441 PolarHBondContact N-O 2.87Å; C438-R441 WeakPolarHBondContact O-CA 3.41Å; C438-R441 WeakPolarHBondContact O-CB 3.35Å; C438-R441 PolarHBondContact O-N 2.91Å; C438-L443 HydrophobicContact CB-CD1 3.6Å; C438-L443 HydrophobicContact CB-CD2 4.49Å; C438-L443 HydrophobicContact CB-CG 4.05Å; C438-V475 HydrophobicContact CB-CG1 4.02Å
439D85.3Confident94.8Very high87 Ų8752.8 Ų52.847%0.46524%0.242SC..THydrogen-bonded Turntrans51.139.7178.4-47.6-58.9000114R441D439-R441 PolarHBondContact O-N 2.85Å
440G80.7Confident94.9Very high30 Ų3055.1 Ų55.131%0.30925%0.254SS..THydrogen-bonded Turntrans73.2-6.4-174.300000115.5C438C438-G440 PolarHBondContact O-N 3.47Å; C438-G440 VanDerWaalsContact O-N 3.15Å
441R87Confident94.9Very high194 Ų19457.9 Ų57.973%0.73227%0.266SS*.EExtended strand (participates in β ladder)trans-97.4131.2-176.8-59.1179-177.9-160.7-1111.7I437 C438 D439 L443I437-R441 CarbonylContact C-O 3.59Å; I437-R441 VanDerWaalsContact CA-O 3.31Å; I437-R441 WeakPolarHBondContact CA-O 3.4Å; C438-R441 PolarHBondContact N-O 2.87Å; C438-R441 WeakPolarHBondContact O-CA 3.41Å; C438-R441 WeakPolarHBondContact O-CB 3.35Å; C438-R441 PolarHBondContact O-N 2.91Å; D439-R441 PolarHBondContact O-N 2.85Å; R441-L443 PolarHBondContact O-N 2.88Å
442R92.6Very high94.8Very high166 Ų16664.1 Ų64.163%0.62629%0.294SS*.EExtended strand (participates in β ladder)trans-78.5110.2176.5-179.7172.761.1-151.4-4.5111.3L436 I437L436-R442 CarbonylContact O-C 3.48Å; L436-R442 WeakPolarHBondContact O-CA 3.32Å; I437-R442 HydrophobicContact CD1-CB 3.71Å; I437-R442 HydrophobicContact CD1-CG 4.01Å
443L92.8Very high94.5Very high63 Ų6367.9 Ų67.933%0.3331%0.314SS..EExtended strand (participates in β ladder)trans-85.5-45.3-177-57-173.5000113.4L436 C438 R441 I550L436-L443 HydrophobicContact CD2-CB 4.49Å; L436-L443 PolarHBondContact O-N 3.34Å; C438-L443 HydrophobicContact CB-CD1 3.6Å; C438-L443 HydrophobicContact CB-CD2 4.49Å; C438-L443 HydrophobicContact CB-CG 4.05Å; R441-L443 PolarHBondContact O-N 2.88Å; L443-I550 HydrophobicContact CD1-CD1 3.75Å; L443-I550 HydrophobicContact CD1-CG2 4.38Å
444K94.9Very high94.2Very high56 Ų5667.7 Ų67.724%0.24332%0.316CS..EExtended strand (participates in β ladder)trans-142.4152-178-147.782.2173.3-1710110.5S435 L436 F465 V552S435-K444 WeakPolarHBondContact CA-O 3.21Å; L436-K444 HydrophobicContact CB-CB 4.4Å; L436-K444 PolarHBondContact N-O 2.85Å; K444-F465 HydrophobicContact CB-CD1 4.36Å; K444-F465 HydrophobicContact CB-CE1 4.48Å; K444-V552 HydrophobicContact CD-CG1 3.65Å
445K96.6Very high93.8Very high149 Ų14969.4 Ų69.465%0.64833%0.325SS*.EExtended strand (participates in β ladder)trans-127.2141.1174.165.5-173.9179.8-175.30110.1A434A434-K445 WeakPolarHBondContact O-CA 3.46Å
446R98.4Very high93.6Very high88 Ų8873.5 Ų73.533%0.33235%0.346SS..EExtended strand (participates in β ladder)trans-128.6153.6169.5-58.5-63.9-171-158.84.3108.4A434 L463 V464 F465A434-R446 PolarHBondContact N-O 2.84Å; A434-R446 PolarHBondContact O-N 2.87Å; R446-L463 HydrophobicContact CB-CB 3.93Å; R446-L463 HydrophobicContact CB-CD1 4.18Å; R446-L463 HydrophobicContact CB-CD2 4.14Å; R446-L463 HydrophobicContact CB-CG 4.3Å; R446-L463 HydrophobicContact CG-CB 4.4Å; R446-V464 PolarHBondContact NE-O 2.92Å; R446-V464 PolarHBondContact NH2-O 3.38Å; R446-F465 HydrophobicContact CB-CE1 4.39Å; R446-F465 HydrophobicContact CB-CE2 4.46Å; R446-F465 HydrophobicContact CB-CZ 3.88Å; R446-F465 HydrophobicContact CG-CD1 4.3Å; R446-F465 HydrophobicContact CG-CE1 3.67Å; R446-F465 HydrophobicContact CG-CE2 4.06Å; R446-F465 HydrophobicContact CG-CZ 3.53Å
447K98.3Very high93.7Very high114 Ų11473.2 Ų73.250%0.49635%0.345SS..EExtended strand (participates in β ladder)trans-133.2151.7176.6-72.5-170.4175.5-160.40110.2Y431 V432 K433 L463Y431-K447 HydrophobicContact CD2-CD 3.94Å; Y431-K447 HydrophobicContact CD2-CG 4.31Å; Y431-K447 HydrophobicContact CE2-CD 3.54Å; Y431-K447 VanDerWaalsContact CE2-CE 3.41Å; Y431-K447 HydrophobicContact CE2-CG 4.15Å; Y431-K447 VanDerWaalsContact CZ-NZ 3.26Å; Y431-K447 PolarHBondContact OH-NZ 3.28Å; V432-K447 CarbonylContact O-C 3.38Å; V432-K447 VanDerWaalsContact O-CA 3.23Å; V432-K447 WeakPolarHBondContact O-CA 3.4Å; K433-K447 HydrophobicContact CB-CG 4.48Å; K433-K447 HydrophobicContact CG-CG 4.47Å; K447-L463 WeakPolarHBondContact O-CD2 3.47Å
448T98.8Very high93.8Very high12 Ų1276.2 Ų76.27%0.07436%0.364CS..PPolyproline II helixtrans-81.4173.8162.364.10000111I413 V432 Y459 E461 L463I413-T448 HydrophobicContact CB-CG2 3.9Å; I413-T448 HydrophobicContact CG1-CG2 3.85Å; I413-T448 HydrophobicContact CG2-CG2 4.12Å; V432-T448 HydrophobicContact CB-CG2 3.95Å; V432-T448 PolarHBondContact N-OG1 2.88Å; V432-T448 PolarHBondContact O-N 2.81Å; T448-Y459 HydrophobicContact CG2-CD1 4.08Å; T448-Y459 HydrophobicContact CG2-CG 4.32Å; T448-Y459 WeakPolarHBondContact OG1-CD1 3.43Å; T448-Y459 WeakPolarHBondContact OG1-CE1 3.06Å; T448-E461 WeakPolarHBondContact CA-OE2 3.21Å; T448-E461 VanDerWaalsContact CB-OE2 3.29Å; T448-E461 WeakPolarHBondContact CB-OE2 3.14Å; T448-E461 HydrophobicContact CG2-CB 4.04Å; T448-L463 HydrophobicContact CG2-CD1 4.33Å; T448-L463 HydrophobicContact CG2-CD2 4.36Å
449S98.4Very high94.2Very high51 Ų5176.8 Ų76.836%0.35737%0.366SS..PPolyproline II helixtrans-62161.1158.171.30000112Y431 K451 Y459 E461Y431-S449 WeakPolarHBondContact CB-O 3.33Å; S449-K451 PolarHBondContact OG-NZ 3.07Å; S449-Y459 WeakPolarHBondContact O-CE1 3.22Å; S449-E461 PolarHBondContact N-OE2 2.88Å; S449-E461 PolarHBondContact OG-OE1 2.89Å
450I98.3Very high94.8Very high70 Ų7077.9 Ų77.936%0.35937%0.372SS..PPolyproline II helixtrans-87.1132.6173.9-63.6153.5000108.6D429 Y431 Y484D429-I450 HydrophobicContact CB-CG2 4.05Å; D429-I450 WeakPolarHBondContact O-CG2 3.43Å; Y431-I450 HydrophobicContact CD1-CG1 3.86Å; Y431-I450 HydrophobicContact CG-CG1 4.07Å; I450-Y484 HydrophobicContact CD1-CD1 4.06Å; I450-Y484 HydrophobicContact CD1-CD2 3.62Å; I450-Y484 HydrophobicContact CD1-CE2 4.19Å; I450-Y484 HydrophobicContact CD1-CG 3.59Å; I450-Y484 HydrophobicContact CG1-CG 4.26Å; I450-Y484 HydrophobicContact CG2-CD1 4.37Å; I450-Y484 HydrophobicContact CG2-CG 4.3Å
451K97.6Very high95.6Very high57 Ų5778.6 Ų78.625%0.24837%0.367CS..PPolyproline II helixtrans-103.4136.8166.7-51.8-46-171.2-158.60107.8D429 P430 S449 T454 P457 T458 Y459 E461D429-K451 CarbonylContact C-O 3.56Å; D429-K451 WeakPolarHBondContact CA-O 3.44Å; P430-K451 WeakPolarHBondContact CD-O 3.23Å; P430-K451 VanDerWaalsContact N-O 3.13Å; P430-K451 PolarHBondContact O-N 2.87Å; S449-K451 PolarHBondContact OG-NZ 3.07Å; K451-T454 HydrophobicContact CB-CG2 3.84Å; K451-P457 HydrophobicContact CB-CB 3.93Å; K451-P457 HydrophobicContact CG-CB 3.82Å; K451-T458 WeakPolarHBondContact CE-O 3.34Å; K451-Y459 HydrophobicContact CD-CD1 4.42Å; K451-Y459 HydrophobicContact CG-CD1 4.08Å; K451-Y459 HydrophobicContact CG-CE1 3.82Å; K451-E461 IonicContact NZ-OE1 3.35Å; K451-E461 PolarHBondContact NZ-OE1 3.2Å; K451-E461 VanDerWaalsContact NZ-OE1 3.1Å
452K96Very high96.2Very high141 Ų14172.3 Ų72.361%0.61336%0.357SS*.PPolyproline II helixtrans-95148.5-173.8-65.9-162.1163.2-95.60113.6D429 T454D429-K452 WeakPolarHBondContact OD1-CA 3.45Å; D429-K452 WeakPolarHBondContact OD1-CB 3.28Å; D429-K452 WeakPolarHBondContact OD2-CG 3.42Å; D429-K452 IonicContact OD2-NZ 2.78Å; D429-K452 PolarHBondContact OD2-NZ 2.92Å; K452-T454 PolarHBondContact O-N 3Å
453N92.6Very high96.4Very high79 Ų7965 Ų6542%0.42233%0.33SS..SBendtrans42.654.2171.6-164.798.2000113.1F427 S428 D429F427-N453 HydrophobicContact CB-CB 4.38Å; F427-N453 WeakPolarHBondContact CD1-ND2 3.41Å; F427-N453 VanDerWaalsContact CD2-ND2 3.27Å; F427-N453 WeakPolarHBondContact CD2-ND2 3.43Å; F427-N453 WeakPolarHBondContact CD2-OD1 3.08Å; F427-N453 WeakPolarHBondContact CG-ND2 3.48Å; S428-N453 CarbonylContact O-C 3.44Å; S428-N453 WeakPolarHBondContact O-CA 3.3Å; S428-N453 PolarHBondContact O-N 3Å; D429-N453 PolarHBondContact OD1-N 3.15Å
454T91Very high96.7Very high35 Ų3564.3 Ų64.322%0.21533%0.328CS..  trans-149.2139.1-176.6-176.20000113.5S428 P430 K451 K452 N456 P457S428-T454 PolarHBondContact O-N 3.15Å; P430-T454 VanDerWaalsContact CD-O 3.32Å; P430-T454 WeakPolarHBondContact CD-O 3.05Å; P430-T454 HydrophobicContact CG-CG2 4.09Å; P430-T454 WeakPolarHBondContact CG-O 3.45Å; K451-T454 HydrophobicContact CB-CG2 3.84Å; K452-T454 PolarHBondContact O-N 3Å; T454-N456 PolarHBondContact OG1-N 3.43Å; T454-N456 VanDerWaalsContact OG1-N 3.15Å; T454-P457 HydrophobicContact CG2-CB 3.95Å
455L91.8Very high96.8Very high36 Ų3661.7 Ų61.719%0.18832%0.317CS..SBendtrans-99.7-1172.8-51.5-176.6000112.7N418 L419 A421 F427 P457N418-L455 PolarHBondContact N-O 3.13Å; L419-L455 HydrophobicContact CB-CB 4.35Å; L419-L455 WeakPolarHBondContact CB-O 3.25Å; L419-L455 PolarHBondContact N-O 3.5Å; L419-L455 WeakPolarHBondContact O-CD2 3.28Å; A421-L455 HydrophobicContact CB-CD1 4.05Å; A421-L455 HydrophobicContact CB-CD2 3.79Å; F427-L455 HydrophobicContact CD1-CG 4.38Å; L455-P457 VanDerWaalsContact C-CD 3.46Å
456N92.8Very high96.9Very high91 Ų9159.5 Ų59.549%0.48731%0.312SS..SBendtrans-133.357.4-178.9-59.2-79.5000111A416 T417 N418 T454A416-N456 CarbonylContact O-C 3.6Å; A416-N456 VanDerWaalsContact O-CA 3.26Å; A416-N456 WeakPolarHBondContact O-CA 3.42Å; T417-N456 VanDerWaalsContact CA-OD1 3.25Å; T417-N456 WeakPolarHBondContact CA-OD1 3.5Å; N418-N456 PolarHBondContact N-OD1 3.33Å; T454-N456 PolarHBondContact OG1-N 3.43Å; T454-N456 VanDerWaalsContact OG1-N 3.15Å
457P97.3Very high96.7Very high3 Ų355.5 Ų55.52%0.01930%0.297CS..  trans-68.8140.8-17630.6-37.8000112.2K415 A416 L419 P430 K451 T454 L455 Y459K415-P457 CarbonylContact C-O 3.57Å; K415-P457 WeakPolarHBondContact CA-O 3.45Å; K415-P457 WeakPolarHBondContact CB-O 3.46Å; A416-P457 HydrophobicContact CB-CG 3.9Å; A416-P457 PolarHBondContact N-O 3.05Å; L419-P457 HydrophobicContact CD1-CG 3.72Å; P430-P457 HydrophobicContact CB-CG 4.24Å; P430-P457 HydrophobicContact CG-CB 3.88Å; P430-P457 HydrophobicContact CG-CG 3.64Å; K451-P457 HydrophobicContact CB-CB 3.93Å; K451-P457 HydrophobicContact CG-CB 3.82Å; T454-P457 HydrophobicContact CG2-CB 3.95Å; L455-P457 VanDerWaalsContact C-CD 3.46Å; P457-Y459 HydrophobicContact CB-CE1 4.39Å; P457-Y459 HydrophobicContact CB-CE2 3.77Å; P457-Y459 HydrophobicContact CG-CE2 3.67Å; P457-Y459 WeakPolarHBondContact CG-OH 3.39Å
458T98.1Very high96.6Very high76 Ų7652.5 Ų52.547%0.46629%0.29SS..EExtended strand (participates in β ladder)trans-112.7128.8167.8-63.10000108.9K415 K451K415-T458 HydrophobicContact CB-CG2 4.47Å; K451-T458 WeakPolarHBondContact CE-O 3.34Å
459Y98.4Very high96.4Very high14 Ų1456.2 Ų56.26%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-109.1-58.9-175.2-56.5-88.1000111.5I413 I414 P430 V432 T448 S449 K451 P457 E461I413-Y459 HydrophobicContact CG2-CD2 3.64Å; I413-Y459 HydrophobicContact CG2-CE2 4.22Å; I413-Y459 HydrophobicContact CG2-CG 4.05Å; I414-Y459 PolarHBondContact O-N 2.95Å; P430-Y459 PolarHBondContact O-OH 3.3Å; V432-Y459 HydrophobicContact CG2-CD2 4.43Å; V432-Y459 HydrophobicContact CG2-CE1 4.4Å; V432-Y459 HydrophobicContact CG2-CE2 3.75Å; T448-Y459 HydrophobicContact CG2-CD1 4.08Å; T448-Y459 HydrophobicContact CG2-CG 4.32Å; T448-Y459 WeakPolarHBondContact OG1-CD1 3.43Å; T448-Y459 WeakPolarHBondContact OG1-CE1 3.06Å; S449-Y459 WeakPolarHBondContact O-CE1 3.22Å; K451-Y459 HydrophobicContact CD-CD1 4.42Å; K451-Y459 HydrophobicContact CG-CD1 4.08Å; K451-Y459 HydrophobicContact CG-CE1 3.82Å; P457-Y459 HydrophobicContact CB-CE1 4.39Å; P457-Y459 HydrophobicContact CB-CE2 3.77Å; P457-Y459 HydrophobicContact CG-CE2 3.67Å; P457-Y459 WeakPolarHBondContact CG-OH 3.39Å; Y459-E461 VanDerWaalsContact C-N 3.32Å
460N97.8Very high96.2Very high110 Ų11061.9 Ų61.959%0.58833%0.33SS*.EExtended strand (participates in β ladder)trans55.940.9-168.3-56.6-40.5000113.3I413 I414I413-N460 CarbonylContact O-C 3.58Å; I413-N460 VanDerWaalsContact O-CA 3.24Å; I413-N460 WeakPolarHBondContact O-CA 3.48Å; I413-N460 PolarHBondContact O-N 3.08Å; I414-N460 PolarHBondContact O-N 3.37Å; I414-N460 VanDerWaalsContact O-N 3.17Å
461E98.7Very high95.9Very high45 Ų4559.2 Ų59.221%0.2132%0.317CS..EExtended strand (participates in β ladder)trans-111.4124-171.1-71175.8-127.800112T412 I413 T448 S449 K451 Y459T412-E461 WeakPolarHBondContact CA-O 3.3Å; I413-E461 PolarHBondContact N-O 2.98Å; I413-E461 PolarHBondContact O-N 3Å; T448-E461 WeakPolarHBondContact CA-OE2 3.21Å; T448-E461 VanDerWaalsContact CB-OE2 3.29Å; T448-E461 WeakPolarHBondContact CB-OE2 3.14Å; T448-E461 HydrophobicContact CG2-CB 4.04Å; S449-E461 PolarHBondContact N-OE2 2.88Å; S449-E461 PolarHBondContact OG-OE1 2.89Å; K451-E461 IonicContact NZ-OE1 3.35Å; K451-E461 PolarHBondContact NZ-OE1 3.2Å; K451-E461 VanDerWaalsContact NZ-OE1 3.1Å; Y459-E461 VanDerWaalsContact C-N 3.32Å
462A98.4Very high95.8Very high63 Ų6356.9 Ų56.952%0.52131%0.307SS..EExtended strand (participates in β ladder)trans-86.8112.8-177.300000112.4T410T410-A462 HydrophobicContact CG2-CB 3.98Å
463L98.5Very high95.5Very high11 Ų1157.3 Ų57.36%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-97.3110176.4-51.9-174.6000109.7A411 I413 A434 R446 K447 T448 F465A411-L463 PolarHBondContact N-O 2.94Å; A411-L463 WeakPolarHBondContact O-CB 3.22Å; A411-L463 PolarHBondContact O-N 2.94Å; I413-L463 HydrophobicContact CD1-CD1 4.22Å; I413-L463 HydrophobicContact CG1-CD1 3.68Å; I413-L463 HydrophobicContact CG1-CG 4.06Å; A434-L463 HydrophobicContact CB-CD1 3.67Å; R446-L463 HydrophobicContact CB-CB 3.93Å; R446-L463 HydrophobicContact CB-CD1 4.18Å; R446-L463 HydrophobicContact CB-CD2 4.14Å; R446-L463 HydrophobicContact CB-CG 4.3Å; R446-L463 HydrophobicContact CG-CB 4.4Å; K447-L463 WeakPolarHBondContact O-CD2 3.47Å; T448-L463 HydrophobicContact CG2-CD1 4.33Å; T448-L463 HydrophobicContact CG2-CD2 4.36Å; L463-F465 HydrophobicContact CB-CE2 4.1Å
464V98.2Very high95.5Very high49 Ų4956.1 Ų56.130%0.29731%0.309SS..EExtended strand (participates in β ladder)trans-97.7134.3-173.4-177.60000111.9R408 T410 R446R408-V464 HydrophobicContact CG-CG1 3.76Å; T410-V464 HydrophobicContact CG2-CG2 4.39Å; R446-V464 PolarHBondContact NE-O 2.92Å; R446-V464 PolarHBondContact NH2-O 3.38Å
465F97.9Very high95.7Very high2 Ų254.5 Ų54.51%0.00930%0.299CS..EExtended strand (participates in β ladder)trans-129.8129.6176.9-60.5-91.7000110.2L409 A434 L436 K444 R446 L463 I467 I477L409-F465 HydrophobicContact CB-CB 4.46Å; L409-F465 PolarHBondContact N-O 2.98Å; L409-F465 PolarHBondContact O-N 3Å; A434-F465 HydrophobicContact CB-CE2 4.11Å; A434-F465 HydrophobicContact CB-CZ 3.77Å; L436-F465 HydrophobicContact CB-CD1 3.79Å; L436-F465 HydrophobicContact CB-CE1 3.93Å; L436-F465 HydrophobicContact CD2-CD1 4.31Å; K444-F465 HydrophobicContact CB-CD1 4.36Å; K444-F465 HydrophobicContact CB-CE1 4.48Å; R446-F465 HydrophobicContact CB-CE1 4.39Å; R446-F465 HydrophobicContact CB-CE2 4.46Å; R446-F465 HydrophobicContact CB-CZ 3.88Å; R446-F465 HydrophobicContact CG-CD1 4.3Å; R446-F465 HydrophobicContact CG-CE1 3.67Å; R446-F465 HydrophobicContact CG-CE2 4.06Å; R446-F465 HydrophobicContact CG-CZ 3.53Å; L463-F465 HydrophobicContact CB-CE2 4.1Å; F465-I467 HydrophobicContact CB-CD1 4.02Å; F465-I467 HydrophobicContact CB-CG1 4.11Å; F465-I477 HydrophobicContact CD2-CD1 4.04Å; F465-I477 HydrophobicContact CE2-CD1 4.08Å
466D96.9Very high95.9Very high102 Ų10253 Ų5355%0.54529%0.291SS..EExtended strand (participates in β ladder)trans-93116.1177.8-45.3-73.8000107.6G407G407-D466 CarbonylContact O-C 3.51Å; G407-D466 WeakPolarHBondContact O-CA 3.24Å
467I96Very high96.1Very high4 Ų448.6 Ų48.62%0.02127%0.268CS..  trans-142.7106.1-168.9-53.1177000107.9Y402 G407 L409 L436 F465 N471 I472 V475Y402-I467 HydrophobicContact CE2-CB 4.49Å; Y402-I467 PolarHBondContact OH-O 2.95Å; G407-I467 CarbonylContact C-O 3.48Å; G407-I467 WeakPolarHBondContact CA-O 3.45Å; G407-I467 CarbonylContact O-C 3.37Å; G407-I467 PolarHBondContact O-N 3.25Å; G407-I467 VanDerWaalsContact O-O 3.05Å; L409-I467 HydrophobicContact CB-CD1 3.83Å; L409-I467 HydrophobicContact CD2-CD1 3.68Å; L409-I467 HydrophobicContact CG-CD1 4.38Å; L436-I467 HydrophobicContact CD1-CD1 3.64Å; L436-I467 HydrophobicContact CD1-CG1 4.37Å; L436-I467 HydrophobicContact CD2-CD1 4.14Å; L436-I467 HydrophobicContact CD2-CG1 3.99Å; F465-I467 HydrophobicContact CB-CD1 4.02Å; F465-I467 HydrophobicContact CB-CG1 4.11Å; I467-N471 HydrophobicContact CG2-CB 4.44Å; I467-I472 HydrophobicContact CB-CD1 4.38Å; I467-I472 HydrophobicContact CD1-CD1 4.31Å; I467-I472 HydrophobicContact CG2-CD1 3.82Å; I467-V475 HydrophobicContact CD1-CG2 4.28Å; I467-V475 HydrophobicContact CG2-CG2 4.01Å
468P95.4Very high96Very high52 Ų5249.6 Ų49.634%0.33827%0.273SS..  trans-56148174.4-25.635.6000112.4E470 N471 I472P468-E470 HydrophobicContact CB-CG 3.9Å; P468-E470 PolarHBondContact O-N 3.37Å; P468-N471 PolarHBondContact O-N 3.42Å; P468-I472 PolarHBondContact O-N 2.99Å
469N94.4Very high96Very high89 Ų8946 Ų4648%0.47625%0.251SS..G310 helixtrans-62.7-30.9-175.4-171.789.5000112.8Y402 P404 N471 I472Y402-N469 VanDerWaalsContact OH-CA 3.23Å; Y402-N469 WeakPolarHBondContact OH-CA 3.23Å; Y402-N469 PolarHBondContact OH-N 3Å; P404-N469 WeakPolarHBondContact CB-OD1 3.25Å; N469-N471 PolarHBondContact O-N 3.19Å; N469-I472 WeakPolarHBondContact O-CG2 3.38Å; N469-I472 PolarHBondContact O-N 3.48Å
470E93.9Very high96Very high170 Ų17045.4 Ų45.479%0.79425%0.249SC*.G310 helixtrans-65.3-12.9172.262.1-165.4-118.700114.7P468P468-E470 HydrophobicContact CB-CG 3.9Å; P468-E470 PolarHBondContact O-N 3.37Å
471N93Very high96Very high15 Ų1540.2 Ų40.28%0.0822%0.221CC..G310 helixtrans-112.9-3.9178.9-50.6129000113.6I467 P468 N469 E473 S474 V475 I550I467-N471 HydrophobicContact CG2-CB 4.44Å; P468-N471 PolarHBondContact O-N 3.42Å; N469-N471 PolarHBondContact O-N 3.19Å; N471-E473 PolarHBondContact O-N 2.83Å; N471-S474 PolarHBondContact O-N 2.86Å; N471-S474 PolarHBondContact O-OG 2.94Å; N471-V475 WeakPolarHBondContact O-CG1 3.32Å; N471-V475 WeakPolarHBondContact O-CG2 3.43Å; N471-V475 PolarHBondContact O-N 2.96Å; N471-I550 HydrophobicContact CB-CD1 4.13Å
472I94Very high95.9Very high7 Ų738.5 Ų38.54%0.03621%0.213CC..SBendtrans-66.1-23.6-173.3-160.661.1000113.1Y402 I467 P468 N469 V475 W510 L514Y402-I472 HydrophobicContact CD1-CD1 4.4Å; Y402-I472 HydrophobicContact CD1-CG1 4.06Å; Y402-I472 HydrophobicContact CD2-CD1 3.84Å; Y402-I472 HydrophobicContact CD2-CG1 4.4Å; Y402-I472 HydrophobicContact CE1-CB 4.16Å; Y402-I472 HydrophobicContact CE1-CD1 4.25Å; Y402-I472 HydrophobicContact CE1-CG1 3.85Å; Y402-I472 HydrophobicContact CE1-CG2 4.36Å; Y402-I472 HydrophobicContact CE2-CD1 3.68Å; Y402-I472 HydrophobicContact CE2-CG1 4.22Å; Y402-I472 HydrophobicContact CG-CD1 4.22Å; Y402-I472 HydrophobicContact CG-CG1 4.35Å; I467-I472 HydrophobicContact CB-CD1 4.38Å; I467-I472 HydrophobicContact CD1-CD1 4.31Å; I467-I472 HydrophobicContact CG2-CD1 3.82Å; P468-I472 PolarHBondContact O-N 2.99Å; N469-I472 WeakPolarHBondContact O-CG2 3.38Å; N469-I472 PolarHBondContact O-N 3.48Å; I472-V475 HydrophobicContact CD1-CG2 4.31Å; I472-W510 HydrophobicContact CD1-CH2 4.24Å; I472-W510 HydrophobicContact CD1-CZ2 3.87Å; I472-W510 HydrophobicContact CG1-CZ2 4.26Å; I472-L514 HydrophobicContact CG1-CD2 3.75Å; I472-L514 HydrophobicContact CG2-CD2 4.15Å
473E91.3Very high95.8Very high151 Ų15135.5 Ų35.571%0.70619%0.188SC*.SBendtrans-80.7-31.4177-63-173.7171.900112.9N471 S500N471-E473 PolarHBondContact O-N 2.83Å; E473-S500 WeakPolarHBondContact O-CB 3.48Å; E473-S500 PolarHBondContact O-OG 3.16Å
474S91.6Very high95.7Very high54 Ų5439.1 Ų39.138%0.37820%0.201SC..SBendtrans-89.92.8-175.970.20000114.3N471N471-S474 PolarHBondContact O-N 2.86Å; N471-S474 PolarHBondContact O-OG 2.94Å
475V95.3Very high95.2Very high1 Ų138.1 Ų38.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-114.4157.1-178.4-61.80000113.1L436 I437 C438 I467 N471 I472 W510L436-V475 HydrophobicContact CD1-CB 3.89Å; L436-V475 HydrophobicContact CD1-CG1 4.29Å; L436-V475 HydrophobicContact CD1-CG2 4.21Å; I437-V475 VanDerWaalsContact O-CA 3.28Å; I437-V475 WeakPolarHBondContact O-CA 3.44Å; C438-V475 HydrophobicContact CB-CG1 4.02Å; I467-V475 HydrophobicContact CD1-CG2 4.28Å; I467-V475 HydrophobicContact CG2-CG2 4.01Å; N471-V475 WeakPolarHBondContact O-CG1 3.32Å; N471-V475 WeakPolarHBondContact O-CG2 3.43Å; N471-V475 PolarHBondContact O-N 2.96Å; I472-V475 HydrophobicContact CD1-CG2 4.31Å; V475-W510 HydrophobicContact CG2-CH2 4.29Å; V475-W510 HydrophobicContact CG2-CZ2 4Å
476S95.8Very high94.3Very high3 Ų342.8 Ų42.82%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-141158.1172.6530000109.9I437 R497 V498I437-S476 PolarHBondContact N-O 3.48Å; I437-S476 PolarHBondContact O-N 3.14Å; S476-R497 PolarHBondContact OG-NH2 3.25Å; S476-V498 CarbonylContact C-O 3.26Å; S476-V498 VanDerWaalsContact CA-O 3.26Å; S476-V498 WeakPolarHBondContact CA-O 3.45Å; S476-V498 VanDerWaalsContact CB-O 3.24Å; S476-V498 WeakPolarHBondContact CB-O 3.28Å
477I96.6Very high93.2Very high0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-113.6125.7170.2-56.2-177.3000108.9L409 A434 S435 L436 F465 I479 R497 V498 W510L409-I477 HydrophobicContact CD2-CD1 3.63Å; L409-I477 HydrophobicContact CD2-CG1 4.5Å; L409-I477 HydrophobicContact CG-CD1 4.41Å; A434-I477 HydrophobicContact CB-CG2 4.08Å; S435-I477 WeakPolarHBondContact O-CA 3.41Å; L436-I477 HydrophobicContact CD1-CG1 4.21Å; F465-I477 HydrophobicContact CD2-CD1 4.04Å; F465-I477 HydrophobicContact CE2-CD1 4.08Å; I477-I479 HydrophobicContact CG2-CD1 4.29Å; I477-I479 HydrophobicContact CG2-CG1 3.61Å; I477-R497 WeakPolarHBondContact O-CA 3.41Å; I477-V498 HydrophobicContact CB-CG2 3.88Å; I477-V498 PolarHBondContact N-O 2.87Å; I477-V498 PolarHBondContact O-N 3.09Å; I477-W510 HydrophobicContact CD1-CZ3 4.45Å; I477-W510 HydrophobicContact CG1-CZ3 4.34Å
478I96.4Very high92.2Very high24 Ų2446.2 Ų46.212%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-93.3121.8164-62.2174.7000107.4S435 I437 M495 R497 I533S435-I478 PolarHBondContact N-O 2.88Å; S435-I478 PolarHBondContact O-N 3.43Å; I437-I478 HydrophobicContact CD1-CD1 4.22Å; I437-I478 HydrophobicContact CG1-CD1 3.89Å; I437-I478 HydrophobicContact CG1-CG1 3.95Å; I478-M495 HydrophobicContact CG2-SD 4.08Å; I478-R497 HydrophobicContact CG1-CG 4.19Å; I478-I533 HydrophobicContact CD1-CG2 4.25Å
479I97.8Very high91.6Very high1 Ų152 Ų521%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-112.1113.1178.6-52.9179.8000107.3L396 F398 I413 V432 A434 I477 M495 C496L396-I479 HydrophobicContact CD2-CB 4.5Å; L396-I479 HydrophobicContact CD2-CG2 3.52Å; F398-I479 HydrophobicContact CD1-CD1 4.1Å; F398-I479 HydrophobicContact CD2-CD1 3.99Å; F398-I479 HydrophobicContact CE1-CD1 3.84Å; F398-I479 HydrophobicContact CE2-CD1 3.73Å; F398-I479 HydrophobicContact CG-CD1 4.17Å; F398-I479 HydrophobicContact CZ-CD1 3.65Å; I413-I479 HydrophobicContact CD1-CG2 4.3Å; V432-I479 HydrophobicContact CG1-CG2 3.34Å; A434-I479 HydrophobicContact CB-CG1 4.26Å; I477-I479 HydrophobicContact CG2-CD1 4.29Å; I477-I479 HydrophobicContact CG2-CG1 3.61Å; I479-M495 CarbonylContact O-C 3.38Å; I479-M495 VanDerWaalsContact O-CA 3.28Å; I479-M495 WeakPolarHBondContact O-CA 3.1Å; I479-M495 WeakPolarHBondContact O-CB 3.46Å; I479-C496 PolarHBondContact N-O 2.89Å; I479-C496 PolarHBondContact O-N 2.93Å
480A97.7Very high91.4Very high1 Ų150.8 Ų50.81%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-109.1134176.900000110.6K433 M482 M495K433-A480 PolarHBondContact N-O 3.14Å; K433-A480 PolarHBondContact O-N 2.83Å; K433-A480 VanDerWaalsContact O-N 3.07Å; A480-M482 HydrophobicContact CB-SD 4.2Å; A480-M495 HydrophobicContact CB-CB 3.88Å; A480-M495 HydrophobicContact CB-CE 4.27Å
481V98.1Very high91.2Very high0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-85.4126163.1-170.10000107.5L396 L419 P430 V432 I493 G494 L527L396-V481 HydrophobicContact CD1-CG2 4.14Å; L396-V481 HydrophobicContact CD2-CG2 4.13Å; L396-V481 HydrophobicContact CG-CG2 4.5Å; L419-V481 HydrophobicContact CD1-CG1 3.97Å; L419-V481 HydrophobicContact CD2-CG1 4.06Å; P430-V481 HydrophobicContact CB-CG1 4.17Å; V432-V481 HydrophobicContact CG2-CG2 4.21Å; V481-I493 HydrophobicContact CB-CB 4.38Å; V481-I493 HydrophobicContact CG1-CB 4.36Å; V481-I493 HydrophobicContact CG1-CD1 4.05Å; V481-I493 HydrophobicContact CG1-CG1 4.39Å; V481-I493 PolarHBondContact O-N 3.17Å; V481-G494 PolarHBondContact N-O 3.49Å; V481-G494 PolarHBondContact O-N 3.11Å; V481-L527 HydrophobicContact CB-CD1 4.07Å; V481-L527 HydrophobicContact CG2-CD1 3.56Å; V481-L527 HydrophobicContact CG2-CD2 3.9Å; V481-L527 HydrophobicContact CG2-CG 4.39Å
482M97.3Very high91.3Very high9 Ų945.7 Ų45.74%0.04425%0.248CC..EExtended strand (participates in β ladder)trans-114.3150.7-176.3-59.3-63-50.300109P430 Y431 K433 A480 N490 E491 V492P430-M482 CarbonylContact C-O 3.13Å; P430-M482 VanDerWaalsContact CA-O 3.29Å; P430-M482 WeakPolarHBondContact CA-O 3.35Å; Y431-M482 HydrophobicContact CD1-CB 3.88Å; Y431-M482 HydrophobicContact CD2-CB 4.09Å; Y431-M482 HydrophobicContact CD2-CG 4.3Å; Y431-M482 HydrophobicContact CE1-CB 3.43Å; Y431-M482 VanDerWaalsContact CE1-CB 3.43Å; Y431-M482 HydrophobicContact CE1-CG 4.28Å; Y431-M482 HydrophobicContact CE2-CB 3.62Å; Y431-M482 HydrophobicContact CE2-CG 3.6Å; Y431-M482 HydrophobicContact CG-CB 4.2Å; Y431-M482 PolarHBondContact N-O 3.11Å; Y431-M482 PolarHBondContact O-N 2.76Å; K433-M482 HydrophobicContact CB-CG 3.89Å; K433-M482 HydrophobicContact CD-CG 4.2Å; K433-M482 HydrophobicContact CD-SD 4.1Å; K433-M482 PolarHBondContact NZ-SD 3.11Å; A480-M482 HydrophobicContact CB-SD 4.2Å; M482-N490 HydrophobicContact CE-CB 4.18Å; M482-N490 VanDerWaalsContact CE-O 3.28Å; M482-N490 WeakPolarHBondContact CE-O 3.45Å; M482-E491 WeakPolarHBondContact CA-O 3.47Å; M482-E491 WeakPolarHBondContact CE-O 3.16Å; M482-V492 HydrophobicContact CE-CG2 3.79Å; M482-V492 HydrophobicContact SD-CB 4.47Å; M482-V492 HydrophobicContact SD-CG2 3.81Å
483D96.3Very high91.2Very high0 Ų045.5 Ų45.50%025%0.247CC..  trans-90162.2164-136.5-42.2000112.1M422 S428 D429 Y431 N490 E491 I493M422-D483 WeakPolarHBondContact CA-OD2 3.46Å; M422-D483 HydrophobicContact CB-CB 4.28Å; M422-D483 WeakPolarHBondContact CB-OD2 3.4Å; M422-D483 HydrophobicContact CG-CB 4.07Å; M422-D483 WeakPolarHBondContact CG-OD2 3.49Å; S428-D483 WeakPolarHBondContact CA-OD2 3.48Å; S428-D483 WeakPolarHBondContact CB-OD2 3.5Å; S428-D483 PolarHBondContact OG-OD2 3.36Å; D429-D483 WeakPolarHBondContact CA-OD1 3.44Å; D429-D483 PolarHBondContact N-OD1 3Å; Y431-D483 VanDerWaalsContact CE1-O 3.29Å; Y431-D483 WeakPolarHBondContact CE1-O 3.28Å; D483-N490 WeakPolarHBondContact O-CB 3.36Å; D483-N490 PolarHBondContact O-ND2 2.95Å; D483-E491 PolarHBondContact N-O 3.15Å; D483-I493 HydrophobicContact CB-CD1 4.29Å; D483-I493 HydrophobicContact CB-CG1 4.21Å
484Y95.1Very high91.4Very high87 Ų8738.4 Ų38.434%0.34121%0.214SC..  trans-119.386175.7179.9-96.6000113D429 I450 C486 N490D429-Y484 HydrophobicContact CB-CD1 4.46Å; D429-Y484 VanDerWaalsContact O-CB 3.31Å; D429-Y484 WeakPolarHBondContact O-CB 3.19Å; D429-Y484 PolarHBondContact O-N 2.05Å; D429-Y484 VanDerWaalsContact O-N 3.15Å; I450-Y484 HydrophobicContact CD1-CD1 4.06Å; I450-Y484 HydrophobicContact CD1-CD2 3.62Å; I450-Y484 HydrophobicContact CD1-CE2 4.19Å; I450-Y484 HydrophobicContact CD1-CG 3.59Å; I450-Y484 HydrophobicContact CG1-CG 4.26Å; I450-Y484 HydrophobicContact CG2-CD1 4.37Å; I450-Y484 HydrophobicContact CG2-CG 4.3Å; Y484-C486 HydrophobicContact CE1-CB 4.44Å; Y484-C486 PolarHBondContact O-N 2.98Å; Y484-N490 WeakPolarHBondContact CA-ND2 3.49Å; Y484-N490 WeakPolarHBondContact CD2-ND2 3.43Å
485D88.4Confident91.5Very high28 Ų2836.1 Ų36.115%0.1520%0.197CC..  trans-69.3120.7169.5-52.1-89.2000111.2I487 N490 E491D485-I487 VanDerWaalsContact C-N 3.3Å; D485-N490 WeakPolarHBondContact OD2-CA 3Å; D485-E491 PolarHBondContact OD2-N 2.84Å
486C79.1Confident91.4Very high101 Ų10136.4 Ų36.468%0.68220%0.199SC*.SBendtrans-74.7-21.4172.664.60000113.1Y484Y484-C486 HydrophobicContact CE1-CB 4.44Å; Y484-C486 PolarHBondContact O-N 2.98Å
487I74.2Confident91.4Very high134 Ų13438.2 Ų38.269%0.68721%0.205SC*.SBendtrans-139.995.8177.5-57.6174.3000106.9D485D485-I487 VanDerWaalsContact C-N 3.3Å
488G75.6Confident91.3Very high44 Ų4438.3 Ų38.345%0.45421%0.206SC..SBendtrans147.6-147.6-177.300000112.8
489H81.7Confident91.3Very high174 Ų17437.1 Ų37.181%0.80620%0.2SC*.  trans-129.9120.9175.9-70.2-38.3000110.3E491H489-E491 PolarHBondContact O-N 3.42Å
490N89.4Confident91Very high63 Ų6339.4 Ų39.434%0.33722%0.216SC..  trans-39.3101.1178.7-64.493.8000114.5M482 D483 Y484 D485M482-N490 HydrophobicContact CE-CB 4.18Å; M482-N490 VanDerWaalsContact CE-O 3.28Å; M482-N490 WeakPolarHBondContact CE-O 3.45Å; D483-N490 WeakPolarHBondContact O-CB 3.36Å; D483-N490 PolarHBondContact O-ND2 2.95Å; Y484-N490 WeakPolarHBondContact CA-ND2 3.49Å; Y484-N490 WeakPolarHBondContact CD2-ND2 3.43Å; D485-N490 WeakPolarHBondContact OD2-CA 3Å
491E91.1Very high90.4Very high41 Ų4143.6 Ų43.619%0.19224%0.238CC..  trans-69153.2178.7-63.7-169.416600112.2R355 M422 M482 D483 D485 H489R355-E491 VanDerWaalsContact CG-OE2 3.29Å; R355-E491 WeakPolarHBondContact CG-OE2 3.48Å; R355-E491 PolarHBondContact N-OE1 3.33Å; M422-E491 HydrophobicContact CE-CB 3.96Å; M422-E491 WeakPolarHBondContact CE-OE2 3.41Å; M482-E491 WeakPolarHBondContact CA-O 3.47Å; M482-E491 WeakPolarHBondContact CE-O 3.16Å; D483-E491 PolarHBondContact N-O 3.15Å; D485-E491 PolarHBondContact OD2-N 2.84Å; H489-E491 PolarHBondContact O-N 3.42Å
492V93.6Very high90Very high37 Ų3743.8 Ų43.822%0.22424%0.239CC..EExtended strand (participates in β ladder)trans-88.7119171.1-179.90000108.4M482 M495M482-V492 HydrophobicContact CE-CG2 3.79Å; M482-V492 HydrophobicContact SD-CB 4.47Å; M482-V492 HydrophobicContact SD-CG2 3.81Å; V492-M495 HydrophobicContact CG1-CE 4.24Å
493I93.6Very high89.2Confident3 Ų348.3 Ų48.32%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-72.4-46.9174.7-48.9-167.4000109.5L393 L419 K420 M422 P430 V481 D483L393-I493 WeakPolarHBondContact CD1-O 3.48Å; L419-I493 HydrophobicContact CB-CG2 4.39Å; L419-I493 HydrophobicContact CD1-CD1 4.38Å; L419-I493 HydrophobicContact CD2-CG2 4.39Å; K420-I493 HydrophobicContact CB-CG2 3.99Å; K420-I493 WeakPolarHBondContact O-CG2 3.35Å; M422-I493 HydrophobicContact CG-CB 4.49Å; M422-I493 HydrophobicContact CG-CD1 4.2Å; M422-I493 HydrophobicContact CG-CG1 3.75Å; M422-I493 HydrophobicContact SD-CB 4.32Å; M422-I493 HydrophobicContact SD-CG1 4.22Å; M422-I493 HydrophobicContact SD-CG2 4.13Å; P430-I493 HydrophobicContact CB-CD1 4.13Å; V481-I493 HydrophobicContact CB-CB 4.38Å; V481-I493 HydrophobicContact CG1-CB 4.36Å; V481-I493 HydrophobicContact CG1-CD1 4.05Å; V481-I493 HydrophobicContact CG1-CG1 4.39Å; V481-I493 PolarHBondContact O-N 3.17Å; D483-I493 HydrophobicContact CB-CD1 4.29Å; D483-I493 HydrophobicContact CB-CG1 4.21Å
494G93.8Very high88.7Confident1 Ų149.4 Ų49.41%0.0128%0.276CS..EExtended strand (participates in β ladder)trans174.2173.2176.700000111.6V481V481-G494 PolarHBondContact N-O 3.49Å; V481-G494 PolarHBondContact O-N 3.11Å
495M94.5Very high88.3Confident7 Ų748.2 Ų48.23%0.03428%0.279CS..EExtended strand (participates in β ladder)trans-146.3161.3-176.158.3170.967.100114.1I478 I479 A480 V492 V528 E530 I533I478-M495 HydrophobicContact CG2-SD 4.08Å; I479-M495 CarbonylContact O-C 3.38Å; I479-M495 VanDerWaalsContact O-CA 3.28Å; I479-M495 WeakPolarHBondContact O-CA 3.1Å; I479-M495 WeakPolarHBondContact O-CB 3.46Å; A480-M495 HydrophobicContact CB-CB 3.88Å; A480-M495 HydrophobicContact CB-CE 4.27Å; V492-M495 HydrophobicContact CG1-CE 4.24Å; M495-V528 WeakPolarHBondContact CG-O 3.36Å; M495-V528 PolarHBondContact N-O 3.46Å; M495-V528 VanDerWaalsContact O-CG2 3.32Å; M495-V528 WeakPolarHBondContact O-CG2 3.45Å; M495-V528 PolarHBondContact O-N 3.37Å; M495-E530 HydrophobicContact CE-CB 3.67Å; M495-E530 HydrophobicContact CE-CG 3.52Å; M495-E530 WeakPolarHBondContact CE-OE1 3.37Å; M495-E530 HydrophobicContact SD-CB 4.32Å; M495-E530 HydrophobicContact SD-CG 4.29Å; M495-I533 HydrophobicContact CG-CD1 3.72Å; M495-I533 HydrophobicContact CG-CG1 4.26Å; M495-I533 HydrophobicContact SD-CB 3.97Å; M495-I533 HydrophobicContact SD-CD1 3.77Å; M495-I533 HydrophobicContact SD-CG1 4.03Å
496C93.9Very high88.5Confident7 Ų747 Ų475%0.04727%0.273CS..EExtended strand (participates in β ladder)trans-134.8161.8170.162.10000110.6I479 H525I479-C496 PolarHBondContact N-O 2.89Å; I479-C496 PolarHBondContact O-N 2.93Å; C496-H525 HydrophobicContact CB-CB 3.91Å
497R94.4Very high89.2Confident41 Ų4147.2 Ų47.216%0.15526%0.259CS..EExtended strand (participates in β ladder)trans-126.5134179.6-174.4-178.4-167.9-139.7-0.3110.3S476 I477 I478 D501 A502 G506 I533S476-R497 PolarHBondContact OG-NH2 3.25Å; I477-R497 WeakPolarHBondContact O-CA 3.41Å; I478-R497 HydrophobicContact CG1-CG 4.19Å; R497-D501 IonicContact CZ-OD1 3.1Å; R497-D501 IonicContact CZ-OD2 3.92Å; R497-D501 PolarHBondContact NH1-O 3.49Å; R497-D501 IonicContact NH1-OD1 2.8Å; R497-D501 PolarHBondContact NH1-OD1 3.32Å; R497-D501 IonicContact NH1-OD2 2.93Å; R497-D501 PolarHBondContact NH1-OD2 2.9Å; R497-D501 IonicContact NH2-OD1 3.84Å; R497-D501 PolarHBondContact NH2-OD1 3.46Å; R497-D501 IonicContact NH2-OD2 3.26Å; R497-D501 PolarHBondContact NH2-OD2 2.86Å; R497-A502 HydrophobicContact CG-CB 4.31Å; R497-G506 WeakPolarHBondContact O-CA 3.47Å; R497-I533 HydrophobicContact CB-CD1 4.22Å
498V96.3Very high90.2Very high1 Ų146.1 Ų46.11%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-121.9143.9169.8-68.80000110.1F398 L400 S476 I477 G506 W510F398-V498 HydrophobicContact CE2-CG1 4.02Å; F398-V498 HydrophobicContact CZ-CG1 3.73Å; L400-V498 HydrophobicContact CD1-CB 4.22Å; L400-V498 HydrophobicContact CD1-CG1 4.31Å; L400-V498 HydrophobicContact CD1-CG2 4.06Å; S476-V498 CarbonylContact C-O 3.26Å; S476-V498 VanDerWaalsContact CA-O 3.26Å; S476-V498 WeakPolarHBondContact CA-O 3.45Å; S476-V498 VanDerWaalsContact CB-O 3.24Å; S476-V498 WeakPolarHBondContact CB-O 3.28Å; I477-V498 HydrophobicContact CB-CG2 3.88Å; I477-V498 PolarHBondContact N-O 2.87Å; I477-V498 PolarHBondContact O-N 3.09Å; V498-G506 WeakPolarHBondContact CA-O 3.43Å; V498-W510 HydrophobicContact CB-CE3 4.05Å; V498-W510 HydrophobicContact CG2-CE3 4.02Å; V498-W510 HydrophobicContact CG2-CZ3 4.16Å
499G95.3Very high91.2Very high0 Ų044 Ų440%023%0.23CC..EExtended strand (participates in β ladder)trans158.3167.8-175.200000112.2D501 A502 G506 W510G499-D501 PolarHBondContact O-N 3.29Å; G499-A502 WeakPolarHBondContact O-CB 3.37Å; G499-A502 PolarHBondContact O-N 3.43Å; G499-G506 PolarHBondContact N-O 3.06Å; G499-W510 VanDerWaalsContact C-CD1 3.48Å
500S91.3Very high92Very high49 Ų4935.9 Ų35.934%0.34319%0.192SC..THydrogen-bonded Turntrans-59.9-36.1177.4-39.90000112.2E473 W510E473-S500 WeakPolarHBondContact O-CB 3.48Å; E473-S500 PolarHBondContact O-OG 3.16Å; S500-W510 VanDerWaalsContact N-CD1 3.34Å; S500-W510 PolarHBondContact OG-NE1 2.93Å
501D86.2Confident92.3Very high89 Ų8935.5 Ų35.548%0.47620%0.197SC..THydrogen-bonded Turntrans-100.416-178.975.6-41.3000113.3R497 G499R497-D501 IonicContact CZ-OD1 3.1Å; R497-D501 IonicContact CZ-OD2 3.92Å; R497-D501 PolarHBondContact NH1-O 3.49Å; R497-D501 IonicContact NH1-OD1 2.8Å; R497-D501 PolarHBondContact NH1-OD1 3.32Å; R497-D501 IonicContact NH1-OD2 2.93Å; R497-D501 PolarHBondContact NH1-OD2 2.9Å; R497-D501 IonicContact NH2-OD1 3.84Å; R497-D501 PolarHBondContact NH2-OD1 3.46Å; R497-D501 IonicContact NH2-OD2 3.26Å; R497-D501 PolarHBondContact NH2-OD2 2.86Å; G499-D501 PolarHBondContact O-N 3.29Å
502A88.1Confident92.6Very high3 Ų335.2 Ų35.23%0.02520%0.202CC..  trans-78.6173.8169.500000111.2R497 G499 R507R497-A502 HydrophobicContact CG-CB 4.31Å; G499-A502 WeakPolarHBondContact O-CB 3.37Å; G499-A502 PolarHBondContact O-N 3.43Å; A502-R507 HydrophobicContact CB-CB 4.42Å; A502-R507 WeakPolarHBondContact O-CB 3.39Å; A502-R507 WeakPolarHBondContact O-CD 3.43Å; A502-R507 PolarHBondContact O-NH1 3.41Å
503D80.7Confident92.8Very high104 Ų10433.4 Ų33.456%0.55619%0.191SC*.  trans-116.3153.3174.7-86.5-49000112.9G506 R507D503-G506 PolarHBondContact O-N 3.06Å; D503-R507 IonicContact OD1-CZ 3.9Å; D503-R507 IonicContact OD1-NH1 3.52Å; D503-R507 PolarHBondContact OD1-NH1 3.35Å; D503-R507 IonicContact OD1-NH2 3.36Å
504G86.8Confident93Very high24 Ų2436 Ų3625%0.24721%0.205CC..THydrogen-bonded Turntrans52.1-134.3178.800000113.5G506 R507 E508G504-G506 PolarHBondContact O-N 3.26Å; G504-R507 PolarHBondContact O-N 3.07Å; G504-E508 PolarHBondContact O-N 3.23Å; G504-E508 VanDerWaalsContact O-N 3.16Å
505P86.8Confident93.2Very high62 Ų6239.7 Ų39.740%0.40324%0.235SC..Hα-helixtrans-52.8-27.8179.7-28.836.2000114.4R507 E508 H509 H525P505-R507 VanDerWaalsContact C-N 3.31Å; P505-R507 PolarHBondContact O-N 2.97Å; P505-E508 PolarHBondContact O-N 3.27Å; P505-H509 WeakPolarHBondContact O-CB 3.24Å; P505-H509 PolarHBondContact O-N 3.17Å; P505-H525 PolarHBondContact O-CE1 2.75Å
506G92.3Very high93.2Very high3 Ų342.1 Ų42.13%0.03125%0.248CC..Hα-helixtrans-57.7-41.8175.800000113.4R497 V498 G499 D503 G504R497-G506 WeakPolarHBondContact O-CA 3.47Å; V498-G506 WeakPolarHBondContact CA-O 3.43Å; G499-G506 PolarHBondContact N-O 3.06Å; D503-G506 PolarHBondContact O-N 3.06Å; G504-G506 PolarHBondContact O-N 3.26Å
507R94.8Very high93.2Very high104 Ų10444.7 Ų44.739%0.39227%0.265SS..Hα-helixtrans-84.4-38.7179.4-176.2171.158.8-128.62.4111.8A502 D503 G504 P505 W510 A511A502-R507 HydrophobicContact CB-CB 4.42Å; A502-R507 WeakPolarHBondContact O-CB 3.39Å; A502-R507 WeakPolarHBondContact O-CD 3.43Å; A502-R507 PolarHBondContact O-NH1 3.41Å; D503-R507 IonicContact OD1-CZ 3.9Å; D503-R507 IonicContact OD1-NH1 3.52Å; D503-R507 PolarHBondContact OD1-NH1 3.35Å; D503-R507 IonicContact OD1-NH2 3.36Å; G504-R507 PolarHBondContact O-N 3.07Å; P505-R507 VanDerWaalsContact C-N 3.31Å; P505-R507 PolarHBondContact O-N 2.97Å; R507-W510 PolarHBondContact O-N 2.81Å; R507-A511 WeakPolarHBondContact O-CB 3.33Å; R507-A511 PolarHBondContact O-N 2.85Å
508E93.6Very high93.1Very high111 Ų11152 Ų5252%0.51929%0.292SS..Hα-helixtrans-64.7-44.7-179.3-70159.3-152.700112G504 P505 A511 A512G504-E508 PolarHBondContact O-N 3.23Å; G504-E508 VanDerWaalsContact O-N 3.16Å; P505-E508 PolarHBondContact O-N 3.27Å; E508-A511 PolarHBondContact O-N 2.81Å; E508-A512 VanDerWaalsContact O-CB 3.28Å; E508-A512 WeakPolarHBondContact O-CB 3.26Å; E508-A512 PolarHBondContact O-N 2.97Å
509H97.4Very high93.1Very high1 Ų157.6 Ų57.61%0.00532%0.316CS..Hα-helixtrans-63.5-42.5173.5-172.3170000110.9F398 L400 P505 A512 M513 I521 H523 H525F398-H509 AromaticContact CD2-CE1 3.88Å; F398-H509 AromaticContact CE2-CE1 3.7Å; F398-H509 AromaticContact CE2-ND1 3.84Å; F398-H509 PolarHBondContact O-CE1 2.99Å; L400-H509 WeakPolarHBondContact CB-NE2 3.18Å; L400-H509 WeakPolarHBondContact CG-NE2 3.38Å; L400-H509 PolarHBondContact N-NE2 2.74Å; P505-H509 WeakPolarHBondContact O-CB 3.24Å; P505-H509 PolarHBondContact O-N 3.17Å; H509-A512 PolarHBondContact O-N 2.78Å; H509-M513 WeakPolarHBondContact O-CB 3.44Å; H509-M513 PolarHBondContact O-N 3.37Å; H509-I521 PolarHBondContact NE2-O 3.4Å; H509-H523 HydrophobicContact CB-CB 4.32Å; H509-H523 WeakPolarHBondContact ND1-CB 3.29Å; H509-H525 AromaticContact CG-NE2 4Å; H509-H525 AromaticContact ND1-NE2 3.25Å; H509-H525 PolarHBondContact ND1-NE2 3.25Å
510W97.7Very high93.2Very high2 Ų261.4 Ų61.41%0.00834%0.341CS..Hα-helixtrans-62.3-45.3177.8-165.9-100.7000112.4L400 L409 I472 V475 I477 V498 G499 S500 R507 M513 L514L400-W510 HydrophobicContact CD1-CE3 3.93Å; L400-W510 HydrophobicContact CD1-CZ3 4.41Å; L409-W510 HydrophobicContact CD2-CH2 3.5Å; L409-W510 HydrophobicContact CD2-CZ3 3.7Å; I472-W510 HydrophobicContact CD1-CH2 4.24Å; I472-W510 HydrophobicContact CD1-CZ2 3.87Å; I472-W510 HydrophobicContact CG1-CZ2 4.26Å; V475-W510 HydrophobicContact CG2-CH2 4.29Å; V475-W510 HydrophobicContact CG2-CZ2 4Å; I477-W510 HydrophobicContact CD1-CZ3 4.45Å; I477-W510 HydrophobicContact CG1-CZ3 4.34Å; V498-W510 HydrophobicContact CB-CE3 4.05Å; V498-W510 HydrophobicContact CG2-CE3 4.02Å; V498-W510 HydrophobicContact CG2-CZ3 4.16Å; G499-W510 VanDerWaalsContact C-CD1 3.48Å; S500-W510 VanDerWaalsContact N-CD1 3.34Å; S500-W510 PolarHBondContact OG-NE1 2.93Å; R507-W510 PolarHBondContact O-N 2.81Å; W510-M513 HydrophobicContact CD2-CE 3.74Å; W510-M513 HydrophobicContact CE3-CE 3.84Å; W510-M513 HydrophobicContact CG-CE 4.32Å; W510-M513 HydrophobicContact CH2-CE 4.25Å; W510-M513 HydrophobicContact CZ2-CE 4.15Å; W510-M513 HydrophobicContact CZ3-CE 4.1Å; W510-M513 WeakPolarHBondContact O-CB 3.44Å; W510-M513 PolarHBondContact O-N 3Å; W510-L514 WeakPolarHBondContact O-CG 3.24Å; W510-L514 PolarHBondContact O-N 2.79Å; W510-L514 VanDerWaalsContact O-N 3.09Å
511A96.9Very high93.5Very high55 Ų5560.2 Ų60.246%0.45533%0.331SS..Hα-helixtrans-63.3-42.3175.100000112.1R507 E508 M513 L514 A515R507-A511 WeakPolarHBondContact O-CB 3.33Å; R507-A511 PolarHBondContact O-N 2.85Å; E508-A511 PolarHBondContact O-N 2.81Å; A511-M513 PolarHBondContact O-N 2.93Å; A511-L514 PolarHBondContact O-N 2.7Å; A511-A515 WeakPolarHBondContact O-CB 3.31Å; A511-A515 PolarHBondContact O-N 3.36Å
512A97.4Very high94.1Very high35 Ų3561.3 Ų61.329%0.28933%0.333SS..Hα-helixtrans-63.1-39.217700000112.5E508 H509 A515 N516 I521E508-A512 VanDerWaalsContact O-CB 3.28Å; E508-A512 WeakPolarHBondContact O-CB 3.26Å; E508-A512 PolarHBondContact O-N 2.97Å; H509-A512 PolarHBondContact O-N 2.78Å; A512-A515 PolarHBondContact O-N 3.05Å; A512-N516 WeakPolarHBondContact O-CB 3.41Å; A512-N516 PolarHBondContact O-N 3.09Å; A512-N516 VanDerWaalsContact O-N 3.17Å; A512-N516 PolarHBondContact O-ND2 2.99Å; A512-I521 HydrophobicContact CB-CG2 4.1Å
513M98.1Very high94.3Very high0 Ų064.6 Ų64.60%035%0.348CS..Hα-helixtrans-60.4-48.7172.7173.9-159.968.400111.4L400 L409 H509 W510 A511 A515 N516L400-M513 HydrophobicContact CB-CB 4.17Å; L400-M513 HydrophobicContact CB-CG 3.97Å; L400-M513 HydrophobicContact CB-SD 3.62Å; L400-M513 HydrophobicContact CD1-SD 4.22Å; L400-M513 HydrophobicContact CG-SD 4.48Å; L409-M513 HydrophobicContact CD1-CE 4.4Å; L409-M513 HydrophobicContact CD1-SD 3.37Å; L409-M513 WeakPolarHBondContact CD1-SD 3.28Å; H509-M513 WeakPolarHBondContact O-CB 3.44Å; H509-M513 PolarHBondContact O-N 3.37Å; W510-M513 HydrophobicContact CD2-CE 3.74Å; W510-M513 HydrophobicContact CE3-CE 3.84Å; W510-M513 HydrophobicContact CG-CE 4.32Å; W510-M513 HydrophobicContact CH2-CE 4.25Å; W510-M513 HydrophobicContact CZ2-CE 4.15Å; W510-M513 HydrophobicContact CZ3-CE 4.1Å; W510-M513 WeakPolarHBondContact O-CB 3.44Å; W510-M513 PolarHBondContact O-N 3Å; A511-M513 PolarHBondContact O-N 2.93Å; M513-A515 VanDerWaalsContact C-N 3.34Å; M513-A515 PolarHBondContact O-N 3.15Å; M513-N516 CarbonylContact O-C 3.56Å; M513-N516 PolarHBondContact O-N 3.04Å; M513-N516 VanDerWaalsContact O-N 3.15Å
514L96.7Very high94.9Very high58 Ų5863.7 Ų63.730%0.30434%0.337SS..Hα-helixtrans-65.4-37.5179.8-67.7174.9000112.2Y402 I472 W510 A511 N516 P517Y402-L514 HydrophobicContact CD1-CD2 4.21Å; I472-L514 HydrophobicContact CG1-CD2 3.75Å; I472-L514 HydrophobicContact CG2-CD2 4.15Å; W510-L514 WeakPolarHBondContact O-CG 3.24Å; W510-L514 PolarHBondContact O-N 2.79Å; W510-L514 VanDerWaalsContact O-N 3.09Å; A511-L514 PolarHBondContact O-N 2.7Å; L514-N516 PolarHBondContact O-N 3.18Å; L514-P517 WeakPolarHBondContact O-CD 3.44Å; L514-P517 WeakPolarHBondContact O-CG 3.44Å
515A97.3Very high95.1Very high77 Ų7763 Ų6364%0.63633%0.327SS*.Hα-helixtrans-69.9-13.8174.800000114A511 A512 M513A511-A515 WeakPolarHBondContact O-CB 3.31Å; A511-A515 PolarHBondContact O-N 3.36Å; A512-A515 PolarHBondContact O-N 3.05Å; M513-A515 VanDerWaalsContact C-N 3.34Å; M513-A515 PolarHBondContact O-N 3.15Å
516N96Very high95.2Very high58 Ų5864.3 Ų64.331%0.3133%0.327SS..SBendtrans-127.662.7-179.3-67.1-105.1000112.7A512 M513 L514 R518 K519 I521A512-N516 WeakPolarHBondContact O-CB 3.41Å; A512-N516 PolarHBondContact O-N 3.09Å; A512-N516 VanDerWaalsContact O-N 3.17Å; A512-N516 PolarHBondContact O-ND2 2.99Å; M513-N516 CarbonylContact O-C 3.56Å; M513-N516 PolarHBondContact O-N 3.04Å; M513-N516 VanDerWaalsContact O-N 3.15Å; L514-N516 PolarHBondContact O-N 3.18Å; N516-R518 PolarHBondContact O-N 3.04Å; N516-K519 HydrophobicContact CB-CB 4.08Å; N516-K519 HydrophobicContact CB-CD 4.12Å; N516-K519 WeakPolarHBondContact O-CB 3.42Å; N516-K519 PolarHBondContact O-N 3.12Å; N516-K519 VanDerWaalsContact O-N 3.08Å; N516-I521 HydrophobicContact CB-CD1 3.9Å; N516-I521 HydrophobicContact CB-CG1 4.32Å
517P93.1Very high95.2Very high61 Ų6164.4 Ų64.440%0.39633%0.327SS..THydrogen-bonded Turntrans-57.1136.6-175.9-24.434.8000113.4P404 L514 K519P404-P517 HydrophobicContact CG-CB 4.27Å; L514-P517 WeakPolarHBondContact O-CD 3.44Å; L514-P517 WeakPolarHBondContact O-CG 3.44Å; P517-K519 PolarHBondContact O-N 3.29Å
518R92.8Very high94.9Very high196 Ų19662.3 Ų62.374%0.7433%0.326SS*.THydrogen-bonded Turntrans70.2-1.2-175.2-46.6166.8-70.7-173-2.8116.1C401 Y402 L403 N516C401-R518 VanDerWaalsContact SG-C 3.59Å; Y402-R518 PolarHBondContact O-N 3.34Å; L403-R518 HydrophobicContact CD2-CG 3.94Å; N516-R518 PolarHBondContact O-N 3.04Å
519K96.2Very high94.4Very high117 Ų11761.4 Ų61.451%0.50932%0.322SS..SBendtrans-99.6124.9173.8-176.3-173173.1-171.20109.3N516 P517 I521N516-K519 HydrophobicContact CB-CB 4.08Å; N516-K519 HydrophobicContact CB-CD 4.12Å; N516-K519 WeakPolarHBondContact O-CB 3.42Å; N516-K519 PolarHBondContact O-N 3.12Å; N516-K519 VanDerWaalsContact O-N 3.08Å; P517-K519 PolarHBondContact O-N 3.29Å; K519-I521 HydrophobicContact CD-CD1 3.97Å; K519-I521 HydrophobicContact CG-CD1 4.25Å; K519-I521 PolarHBondContact O-N 3.21Å
520P97.7Very high93.3Very high80 Ų8066.4 Ų66.452%0.51935%0.345SS..PPolyproline II helixtrans-61.6123.5165.4-2133.4000110.3L400 C401L400-P520 WeakPolarHBondContact O-CA 3.41Å; C401-P520 HydrophobicContact CB-CB 4.37Å; C401-P520 HydrophobicContact CB-CG 4.23Å
521I98.1Very high91.8Very high24 Ų2474 Ų7412%0.12338%0.378CS..EExtended strand (participates in β ladder)trans-99.7127.2167.6-58.4-54.1000106.6S399 L400 H509 A512 N516 K519S399-I521 CarbonylContact C-O 3.51Å; S399-I521 WeakPolarHBondContact CA-O 3.44Å; S399-I521 WeakPolarHBondContact CB-O 3.48Å; L400-I521 PolarHBondContact N-O 3.11Å; L400-I521 PolarHBondContact O-N 3.03Å; H509-I521 PolarHBondContact NE2-O 3.4Å; A512-I521 HydrophobicContact CB-CG2 4.1Å; N516-I521 HydrophobicContact CB-CD1 3.9Å; N516-I521 HydrophobicContact CB-CG1 4.32Å; K519-I521 HydrophobicContact CD-CD1 3.97Å; K519-I521 HydrophobicContact CG-CD1 4.25Å; K519-I521 PolarHBondContact O-N 3.21Å
522E97.4Very high90Very high112 Ų11274 Ų7452%0.52338%0.379SS..EExtended strand (participates in β ladder)trans-101.7140.1178-173.7179.514000109.9N397 I414N397-E522 PolarHBondContact ND2-OE1 2.76Å; N397-E522 WeakPolarHBondContact OD1-CG 3.34Å; N397-E522 PolarHBondContact OD1-OE1 2.68Å; I414-E522 HydrophobicContact CD1-CG 3.9Å
523H93.4Very high88.2Confident73 Ų7373.2 Ų73.234%0.33837%0.369SS..EExtended strand (participates in β ladder)trans-153.6149.8174.1-146.6-87.6000112.4F398 H509F398-H523 PolarHBondContact N-O 3.28Å; F398-H523 PolarHBondContact O-N 2.9Å; F398-H523 VanDerWaalsContact O-N 3.11Å; H509-H523 HydrophobicContact CB-CB 4.32Å; H509-H523 WeakPolarHBondContact ND1-CB 3.29Å
524W92.3Very high86Confident85 Ų8575.1 Ų75.132%0.32239%0.389SS..EExtended strand (participates in β ladder)trans-85.3142.8167.2-70.895.2000111.2E395 N397 K415 T417E395-W524 HydrophobicContact CB-CE3 3.79Å; E395-W524 HydrophobicContact CB-CZ3 4.16Å; N397-W524 HydrophobicContact CB-CD2 3.73Å; N397-W524 HydrophobicContact CB-CE3 3.62Å; N397-W524 HydrophobicContact CB-CG 4.46Å; N397-W524 HydrophobicContact CB-CH2 3.9Å; N397-W524 HydrophobicContact CB-CZ2 3.99Å; N397-W524 HydrophobicContact CB-CZ3 3.69Å; N397-W524 PolarHBondContact ND2-NE1 3.29Å; K415-W524 HydrophobicContact CD-CH2 4.15Å; K415-W524 HydrophobicContact CD-CZ2 4.49Å; K415-W524 VanDerWaalsContact CE-CZ2 3.48Å; K415-W524 HydrophobicContact CG-CH2 4.05Å; T417-W524 HydrophobicContact CG2-CH2 3.99Å; T417-W524 HydrophobicContact CG2-CZ3 4.36Å; T417-W524 WeakPolarHBondContact OG1-CH2 3.4Å; T417-W524 WeakPolarHBondContact OG1-CZ3 3.41Å
525H91.4Very high83.5Confident10 Ų1075.5 Ų75.55%0.04639%0.394CS..EExtended strand (participates in β ladder)trans-132.7121.2173.3-74.1-96000109.9E395 L396 F398 C496 P505 H509 L527E395-H525 WeakPolarHBondContact CA-O 3.29Å; L396-H525 PolarHBondContact N-O 3.27Å; L396-H525 PolarHBondContact O-N 2.86Å; F398-H525 HydrophobicContact CE1-CB 4.17Å; F398-H525 AromaticContact CE1-CD2 3.23Å; F398-H525 WeakPolarHBondContact CE1-CD2 3.43Å; F398-H525 AromaticContact CE1-CG 3.85Å; F398-H525 AromaticContact CE1-NE2 3.91Å; F398-H525 AromaticContact CZ-CD2 3.24Å; F398-H525 WeakPolarHBondContact CZ-CD2 3.5Å; F398-H525 AromaticContact CZ-NE2 3.38Å; F398-H525 WeakPolarHBondContact CZ-NE2 3.41Å; C496-H525 HydrophobicContact CB-CB 3.91Å; P505-H525 PolarHBondContact O-CE1 2.75Å; H509-H525 AromaticContact CG-NE2 4Å; H509-H525 AromaticContact ND1-NE2 3.25Å; H509-H525 PolarHBondContact ND1-NE2 3.25Å; H525-L527 PolarHBondContact O-N 2.75Å
526Q87.9Confident80.9Confident88 Ų8876.6 Ų76.641%0.41138%0.384SS..EExtended strand (participates in β ladder)trans-60.9132.4166.9-177.182.380.700109.4D392 G394D392-Q526 PolarHBondContact OD1-NE2 2.71Å; G394-Q526 PolarHBondContact O-NE2 3.43Å
527L92.7Very high78.4Confident5 Ų577.4 Ų77.43%0.02639%0.391CS..  trans-80.5138.2176.2-61.3170.8000110.6L393 G394 L396 L419 V481 H525L393-L527 HydrophobicContact CB-CB 3.84Å; G394-L527 WeakPolarHBondContact O-CB 3.45Å; G394-L527 WeakPolarHBondContact O-CG 3.48Å; G394-L527 PolarHBondContact O-N 2.8Å; L396-L527 HydrophobicContact CB-CD2 3.98Å; L396-L527 HydrophobicContact CB-CG 4.41Å; L419-L527 HydrophobicContact CD2-CD1 3.59Å; V481-L527 HydrophobicContact CB-CD1 4.07Å; V481-L527 HydrophobicContact CG2-CD1 3.56Å; V481-L527 HydrophobicContact CG2-CD2 3.9Å; V481-L527 HydrophobicContact CG2-CG 4.39Å; H525-L527 PolarHBondContact O-N 2.75Å
528V88.4Confident75.8Confident60 Ų6078.6 Ų78.636%0.36440%0.401SS..BIsolated β-bridgetrans-121.3161.7176.8-59.70000111.7M495 A532 I533M495-V528 WeakPolarHBondContact CG-O 3.36Å; M495-V528 PolarHBondContact N-O 3.46Å; M495-V528 VanDerWaalsContact O-CG2 3.32Å; M495-V528 WeakPolarHBondContact O-CG2 3.45Å; M495-V528 PolarHBondContact O-N 3.37Å; V528-A532 HydrophobicContact CG2-CB 4.43Å; V528-I533 HydrophobicContact CG2-CD1 3.92Å; V528-I533 HydrophobicContact CG2-CG1 3.95Å
529E84.5Confident73.1Confident93 Ų9376.7 Ų76.744%0.43540%0.398SS..  trans-68.1148.8-179.2-61.3-171.216400112.5L393 K531 A532L393-E529 HydrophobicContact CD1-CG 3.89Å; E529-K531 PolarHBondContact O-N 3.26Å; E529-A532 WeakPolarHBondContact O-CB 3.35Å; E529-A532 PolarHBondContact O-N 3.2Å
530E74.2Confident70.4Confident106 Ų10674.4 Ų74.450%0.49540%0.397SS..Hα-helixtrans-57.2-36.5-177.9-175.3154.5-136.700113M495 A532 I533 G534M495-E530 HydrophobicContact CE-CB 3.67Å; M495-E530 HydrophobicContact CE-CG 3.52Å; M495-E530 WeakPolarHBondContact CE-OE1 3.37Å; M495-E530 HydrophobicContact SD-CB 4.32Å; M495-E530 HydrophobicContact SD-CG 4.29Å; E530-A532 PolarHBondContact O-N 3.38Å; E530-I533 PolarHBondContact O-N 2.92Å; E530-I533 VanDerWaalsContact O-N 3.14Å; E530-G534 PolarHBondContact O-N 2.79Å
531K65Low67.4Low161 Ų16175 Ų7570%0.741%0.408SS*.Hα-helixtrans-58.2-33176.7-66.3-179.5179.6177.20112.7E529 I533E529-K531 PolarHBondContact O-N 3.26Å; K531-I533 VanDerWaalsContact C-N 3.34Å; K531-I533 PolarHBondContact O-N 3.24Å
532A59.3Low64.7Low56 Ų5679.6 Ų79.646%0.46344%0.438SS..Hα-helixtrans-69.3-31.3179.600000112.7V528 E529 E530V528-A532 HydrophobicContact CG2-CB 4.43Å; E529-A532 WeakPolarHBondContact O-CB 3.35Å; E529-A532 PolarHBondContact O-N 3.2Å; E530-A532 PolarHBondContact O-N 3.38Å
533I60.2Low62Low18 Ų1878.6 Ų78.69%0.09245%0.448CS..Hα-helixtrans-91.3-25179.1-51.9-161.7000111.7I478 M495 R497 V528 E530 K531 T535 F536I478-I533 HydrophobicContact CD1-CG2 4.25Å; M495-I533 HydrophobicContact CG-CD1 3.72Å; M495-I533 HydrophobicContact CG-CG1 4.26Å; M495-I533 HydrophobicContact SD-CB 3.97Å; M495-I533 HydrophobicContact SD-CD1 3.77Å; M495-I533 HydrophobicContact SD-CG1 4.03Å; R497-I533 HydrophobicContact CB-CD1 4.22Å; V528-I533 HydrophobicContact CG2-CD1 3.92Å; V528-I533 HydrophobicContact CG2-CG1 3.95Å; E530-I533 PolarHBondContact O-N 2.92Å; E530-I533 VanDerWaalsContact O-N 3.14Å; K531-I533 VanDerWaalsContact C-N 3.34Å; K531-I533 PolarHBondContact O-N 3.24Å; I533-T535 PolarHBondContact O-N 3.47Å; I533-T535 VanDerWaalsContact O-N 3.11Å; I533-F536 PolarHBondContact O-N 3.21Å; I533-F536 VanDerWaalsContact O-N 3.14Å
534G50.7Low59.4Low40 Ų4081.4 Ų81.441%0.41247%0.473SS..Hα-helixtrans-54.8-30.3178.200000114.9E530 F536 V537E530-G534 PolarHBondContact O-N 2.79Å; G534-F536 PolarHBondContact O-N 3.19Å; G534-F536 VanDerWaalsContact O-N 3.09Å; G534-V537 PolarHBondContact O-N 2.87Å
535T44.1Very low57.1Low66 Ų6681.3 Ų81.341%0.40549%0.485SS..Hα-helixtrans-59.5-19.3178.5-450000114.4I533 K539I533-T535 PolarHBondContact O-N 3.47Å; I533-T535 VanDerWaalsContact O-N 3.11Å; T535-K539 WeakPolarHBondContact O-CD 3.23Å; T535-K539 WeakPolarHBondContact O-CG 3.47Å
536F43.6Very low54.7Low100 Ų10086.8 Ų86.844%0.43952%0.522SS..Hα-helixtrans-94-27.7-175.5-65-92.1000113.5I533 G534I533-F536 PolarHBondContact O-N 3.21Å; I533-F536 VanDerWaalsContact O-N 3.14Å; G534-F536 PolarHBondContact O-N 3.19Å; G534-F536 VanDerWaalsContact O-N 3.09Å
537V44.2Very low52.4Low75 Ų7591.9 Ų91.946%0.45554%0.542SS..Hα-helixtrans-75.1-27.5-177.6-178.90000112.2G534G534-V537 PolarHBondContact O-N 2.87Å
538S37.8Very low50.1Low85 Ų8594.2 Ų94.259%0.59456%0.558SS**SBendtrans-90.2-16.8-177.751.80000114.6
539K36.2Very low47.8Very low157 Ų15799.3 Ų99.368%0.68358%0.577SS**THydrogen-bonded Turntrans-83.4-14.2-175.7-79.3-177.8177.5177.90115.2T535T535-K539 WeakPolarHBondContact O-CD 3.23Å; T535-K539 WeakPolarHBondContact O-CG 3.47Å
540S38.6Very low46.3Very low69 Ų6996.7 Ų96.748%0.48357%0.566SS.*THydrogen-bonded Turntrans-93.813.9-179.364.10000114.3T542S540-T542 PolarHBondContact O-N 2.94Å
541A35.9Very low44.8Very low93 Ų9395.9 Ų95.977%0.76957%0.568SS**  trans-80.644.9-176.900000113.8
542T40.2Very low43.7Very low120 Ų12091 Ų9174%0.73655%0.552SS**SBendtrans-135.1122.5-174.1-36.70000111.7S540S540-T542 PolarHBondContact O-N 2.94Å
543A40.5Very low42.6Very low90 Ų9094.7 Ų94.774%0.74456%0.564SS**SBendtrans65.8135.8-177.800000116.7S545A543-S545 PolarHBondContact O-N 2.97Å
544P40.4Very low41.4Very low133 Ų13397.5 Ų97.586%0.86459%0.585SS**  trans-84.3103174.732.7-31.9000111.4
545S42.7Very low41Very low83 Ų83100.8 Ų100.858%0.5860%0.599SS**PPolyproline II helixtrans-69.2154.3163.250.70000111.3A543A543-S545 PolarHBondContact O-N 2.97Å
546P42.5Very low40.9Very low124 Ų124106.7 Ų106.781%0.80562%0.622SS**PPolyproline II helixtrans-63.2138.6170.827.3-33.9000110.3
547K39.5Very low40.3Very low195 Ų195107.2 Ų107.285%0.84864%0.637SS**PPolyproline II helixtrans-58.9126-173.4-59171.2-176.4172.50111.4H549K547-H549 PolarHBondContact O-N 3.48Å
548P43.3Very low39.9Very low54 Ų54115.3 Ų115.335%0.35168%0.678SS.*PPolyproline II helixtrans-64.4127.7163.227.4-32.5000108.8I550P548-I550 HydrophobicContact CB-CG1 4.42Å; P548-I550 PolarHBondContact O-N 3.26Å
549H40.3Very low40Very low167 Ų167116.9 Ų116.977%0.77368%0.683SS**  trans-85.849.6-168.3-155.6-70.6000112.7K547 V551K547-H549 PolarHBondContact O-N 3.48Å; H549-V551 VanDerWaalsContact C-N 3.34Å; H549-V551 WeakPolarHBondContact ND1-CG2 3.37Å; H549-V551 PolarHBondContact O-N 3.41Å
550I52.6Low40.2Very low38 Ų38114.7 Ų114.720%0.19568%0.683CS.*  trans-69.490.7178.8-56.6174.8000108.8L443 N471 P548 V552L443-I550 HydrophobicContact CD1-CD1 3.75Å; L443-I550 HydrophobicContact CD1-CG2 4.38Å; N471-I550 HydrophobicContact CB-CD1 4.13Å; P548-I550 HydrophobicContact CB-CG1 4.42Å; P548-I550 PolarHBondContact O-N 3.26Å; I550-V552 HydrophobicContact CG2-CG2 4.08Å; I550-V552 PolarHBondContact O-N 3.37Å
551V42.3Very low40.3Very low89 Ų89117.3 Ų117.354%0.53969%0.694SS.*  trans-70.2100.6172.7-174.60000107.9H549 D553H549-V551 VanDerWaalsContact C-N 3.34Å; H549-V551 WeakPolarHBondContact ND1-CG2 3.37Å; H549-V551 PolarHBondContact O-N 3.41Å; V551-D553 WeakPolarHBondContact CG1-OD1 3.36Å; V551-D553 PolarHBondContact O-N 2.8Å
552V43.3Very low40.5Very low59 Ų59118.7 Ų118.736%0.35869%0.689SS.*  trans-80.576.8171-176.80000108.1K444 I550 S554K444-V552 HydrophobicContact CD-CG1 3.65Å; I550-V552 HydrophobicContact CG2-CG2 4.08Å; I550-V552 PolarHBondContact O-N 3.37Å; V552-S554 PolarHBondContact O-N 3.38Å; V552-S554 VanDerWaalsContact O-N 3.11Å; V552-S554 PolarHBondContact O-OG 3.23Å
553D36.6Very low40.6Very low134 Ų134118.6 Ų118.672%0.71769%0.686SS**  trans-51.2122.5171.2-82.9-28.6000108.9V551 P555V551-D553 WeakPolarHBondContact CG1-OD1 3.36Å; V551-D553 PolarHBondContact O-N 2.8Å; D553-P555 WeakPolarHBondContact O-CD 3.37Å
554S33.5Very low40.6Very low76 Ų76120.5 Ų120.553%0.53168%0.683SS.*  trans-118.194.4-175.7-65.60000107.1V552V552-S554 PolarHBondContact O-N 3.38Å; V552-S554 VanDerWaalsContact O-N 3.11Å; V552-S554 PolarHBondContact O-OG 3.23Å
555P43.2Very low40.6Very low109 Ų109119.6 Ų119.671%0.70867%0.67SS**SBendtrans-59.3141.7165.526.9-33.5000108.5D553D553-P555 WeakPolarHBondContact O-CD 3.37Å
556H41.2Very low40.4Very low191 Ų191122.5 Ų122.588%0.88468%0.676SS**  trans8482-174-48.2-5.4000114.6
557S32.4Very low40.3Very low110 Ų110122.3 Ų122.377%0.76967%0.666SS**  trans-146.187.8147.261.70000108.8
558D34.9Very low40.3Very low246 Ų246115.7 Ų115.7100%1.31665%0.649SS**  trans-103.20150-73.3-52.1000106.8

Retrieved 558 of 558 residues in 615.1 ms (Link to these results)