A0A087X8W6_POEFO Loading...

Proteasome subunit alpha type

AlphaFold DB (A0A3B3V8I0), UniProt , Accession A0A087X8W6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 251 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
1M51.3Low73.9Confident227 Ų22798.9 Ų98.9100%1.11850%0.497SS*.  0-20.40-75.2-174.4-171.400114.2A3M1-A3 PolarHBondContact O-N 3.23Å
2A55.6Low75.3Confident50 Ų50101.3 Ų101.341%0.41350%0.502SS..G310 helixtrans-63.8-35-18000000115.3R4 Y5A2-R4 PolarHBondContact O-N 2.84Å; A2-Y5 PolarHBondContact O-N 2.96Å
3A62.3Low76.5Confident71 Ų7194 Ų9459%0.58747%0.467SS*.G310 helixtrans-65.21.6-167.200000117.7M1M1-A3 PolarHBondContact O-N 3.23Å
4R73.6Confident77.5Confident218 Ų21894.4 Ų94.482%0.82348%0.48SS*.G310 helixtrans-107.4-25.4175.7-83.3-171.4176.4-178.9-0.5113.8A2A2-R4 PolarHBondContact O-N 2.84Å
5Y78.1Confident78.5Confident89 Ų8996.8 Ų96.835%0.34949%0.494SS..THydrogen-bonded Turntrans-105.5-1.9-172.1-58.6-78.4000113A2 V11 F12 P14A2-Y5 PolarHBondContact O-N 2.96Å; Y5-V11 HydrophobicContact CD1-CG1 3.72Å; Y5-F12 WeakPolarHBondContact CD1-O 3.49Å; Y5-P14 HydrophobicContact CE2-CG 3.86Å
6D79.9Confident79.3Confident39 Ų3993.8 Ų93.821%0.20949%0.494CS..SBendtrans-95.3-10.4179.862.5-13.1000113.7F19 Q20 Y23D6-F19 HydrophobicContact CB-CB 4.2Å; D6-F19 HydrophobicContact CB-CD2 4.3Å; D6-Q20 PolarHBondContact O-NE2 2.93Å; D6-Y23 HydrophobicContact CB-CE2 3.98Å
7R81.3Confident80Confident220 Ų22093.4 Ų93.483%0.8349%0.489SS*.SBendtrans-73.3-28.8-175.9-67.9-171.1176.1-160.5-3.8114.5
8A80.3Confident80.7Confident43 Ų4390.5 Ų90.536%0.35547%0.474SS..  trans-125.5140.2-176.800000110T10 V11A8-T10 VanDerWaalsContact C-N 3.32Å; A8-T10 PolarHBondContact O-N 3.25Å; A8-V11 HydrophobicContact CB-CB 4.35Å; A8-V11 HydrophobicContact CB-CG2 3.67Å
9I81.2Confident81.4Confident15 Ų1587.6 Ų87.68%0.07746%0.457CS..THydrogen-bonded Turntrans-70.7-27.5-175.6-163.3176000113.6V11 Q20 Y120 T121 P128I9-V11 VanDerWaalsContact C-N 3.35Å; I9-Q20 HydrophobicContact CB-CG 4.4Å; I9-Q20 HydrophobicContact CG1-CB 4.01Å; I9-Q20 HydrophobicContact CG1-CG 4.43Å; I9-Y120 VanDerWaalsContact CD1-O 3.28Å; I9-Y120 WeakPolarHBondContact CD1-O 3.43Å; I9-T121 HydrophobicContact CD1-CG2 4.48Å; I9-T121 WeakPolarHBondContact CD1-O 3.4Å; I9-T121 HydrophobicContact CG1-CG2 4.45Å; I9-T121 WeakPolarHBondContact CG1-O 3.5Å; I9-P128 HydrophobicContact CD1-CB 4.3Å; I9-P128 VanDerWaalsContact CD1-CD 3.4Å; I9-P128 HydrophobicContact CD1-CG 4.08Å
10T81.8Confident82Confident62 Ų6285.9 Ų85.938%0.3845%0.447SS..THydrogen-bonded Turntrans-93.37.9-175.953.90000113.3A8 Q122A8-T10 VanDerWaalsContact C-N 3.32Å; A8-T10 PolarHBondContact O-N 3.25Å; T10-Q122 WeakPolarHBondContact CG2-O 3.35Å
11V87.8Confident82.6Confident54 Ų5482.5 Ų82.533%0.32743%0.43SS..PPolyproline II helixtrans-102.6119.5-177.3175.90000109.4Y5 A8 I9Y5-V11 HydrophobicContact CD1-CG1 3.72Å; A8-V11 HydrophobicContact CB-CB 4.35Å; A8-V11 HydrophobicContact CB-CG2 3.67Å; I9-V11 VanDerWaalsContact C-N 3.35Å
12F90Very high84.6Confident128 Ų12874.8 Ų74.856%0.56139%0.391SS*.PPolyproline II helixtrans-78.2141.9172.4-71.7-92.1000110.6Y5 L18Y5-F12 WeakPolarHBondContact CD1-O 3.49Å; F12-L18 HydrophobicContact CD1-CD2 3.82Å; F12-L18 HydrophobicContact CD1-CG 3.99Å; F12-L18 HydrophobicContact CD2-CD2 4.16Å; F12-L18 HydrophobicContact CE1-CD1 4.04Å; F12-L18 HydrophobicContact CE1-CD2 3.87Å; F12-L18 HydrophobicContact CE1-CG 3.74Å; F12-L18 HydrophobicContact CE2-CD2 4.19Å; F12-L18 HydrophobicContact CG-CD2 3.98Å; F12-L18 HydrophobicContact CZ-CD1 4.11Å; F12-L18 HydrophobicContact CZ-CD2 4.05Å; F12-L18 HydrophobicContact CZ-CG 4.18Å
13S90.8Very high86.5Confident6 Ų677.1 Ų77.14%0.04239%0.39CS..PPolyproline II helixtrans-67.8162.2165.277.90000110.4D15 G16 H17S13-D15 PolarHBondContact O-N 3.07Å; S13-D15 VanDerWaalsContact O-N 3.12Å; S13-D15 PolarHBondContact OG-N 3.24Å; S13-G16 PolarHBondContact O-N 3.16Å; S13-G16 PolarHBondContact OG-N 3.06Å; S13-H17 PolarHBondContact N-O 2.87Å; S13-H17 WeakPolarHBondContact OG-CB 3.06Å; S13-H17 PolarHBondContact OG-N 2.69Å
14P91.4Very high88.1Confident99 Ų9974.1 Ų74.164%0.64337%0.365SS*.THydrogen-bonded Turntrans-55.2-27.8172.7-26.536000113.6Y5 G16Y5-P14 HydrophobicContact CE2-CG 3.86Å; P14-G16 VanDerWaalsContact C-N 3.29Å
15D91.6Very high89.2Confident131 Ų13167.3 Ų67.370%0.70134%0.343SS*.THydrogen-bonded Turntrans-84.7-0.7178.4-52.5-53.1000112.8S13 H17S13-D15 PolarHBondContact O-N 3.07Å; S13-D15 VanDerWaalsContact O-N 3.12Å; S13-D15 PolarHBondContact OG-N 3.24Å; D15-H17 PolarHBondContact O-CD2 3.18Å
16G91.4Very high90Very high48 Ų4867.2 Ų67.250%0.49535%0.346SS..SBendtrans86.514.417900000115.2S13 P14S13-G16 PolarHBondContact O-N 3.16Å; S13-G16 PolarHBondContact OG-N 3.06Å; P14-G16 VanDerWaalsContact C-N 3.29Å
17H92Very high90.8Very high87 Ų8766.7 Ų66.740%0.40335%0.347SS..  trans-92.8151.3-178.1-67.8-107.7000112.8S13 D15 F19 E22S13-H17 PolarHBondContact N-O 2.87Å; S13-H17 WeakPolarHBondContact OG-CB 3.06Å; S13-H17 PolarHBondContact OG-N 2.69Å; D15-H17 PolarHBondContact O-CD2 3.18Å; H17-F19 HydrophobicContact CB-CE1 4.25Å; H17-E22 IonicContact CE1-OE1 3.78Å; H17-E22 IonicContact CG-OE1 3.48Å; H17-E22 IonicContact ND1-OE1 2.71Å; H17-E22 PolarHBondContact ND1-OE1 2.99Å
18L92.1Very high91.5Very high42 Ų4256.7 Ų56.722%0.2231%0.31CS..  trans-108.993.9169.7-69.5177.4000109.8F12 Q20 V21 E22 T121F12-L18 HydrophobicContact CD1-CD2 3.82Å; F12-L18 HydrophobicContact CD1-CG 3.99Å; F12-L18 HydrophobicContact CD2-CD2 4.16Å; F12-L18 HydrophobicContact CE1-CD1 4.04Å; F12-L18 HydrophobicContact CE1-CD2 3.87Å; F12-L18 HydrophobicContact CE1-CG 3.74Å; F12-L18 HydrophobicContact CE2-CD2 4.19Å; F12-L18 HydrophobicContact CG-CD2 3.98Å; F12-L18 HydrophobicContact CZ-CD1 4.11Å; F12-L18 HydrophobicContact CZ-CD2 4.05Å; F12-L18 HydrophobicContact CZ-CG 4.18Å; L18-Q20 VanDerWaalsContact C-N 3.25Å; L18-Q20 PolarHBondContact O-N 2.93Å; L18-Q20 VanDerWaalsContact O-N 3.16Å; L18-V21 HydrophobicContact CB-CB 4.38Å; L18-V21 HydrophobicContact CB-CG2 4.06Å; L18-V21 HydrophobicContact CD1-CG2 4.46Å; L18-V21 WeakPolarHBondContact O-CB 3.4Å; L18-V21 PolarHBondContact O-N 2.79Å; L18-E22 PolarHBondContact O-N 2.88Å; L18-T121 HydrophobicContact CD1-CG2 4.45Å
19F93.4Very high92.3Very high35 Ų3560.3 Ų60.315%0.15432%0.318CS..Hα-helixtrans-58.7-32.9-173.7-67.4-47.3000113.9D6 H17 V21 E22 Y23D6-F19 HydrophobicContact CB-CB 4.2Å; D6-F19 HydrophobicContact CB-CD2 4.3Å; H17-F19 HydrophobicContact CB-CE1 4.25Å; F19-V21 VanDerWaalsContact C-N 3.26Å; F19-V21 PolarHBondContact O-N 3.13Å; F19-E22 WeakPolarHBondContact CD1-OE2 3.24Å; F19-E22 PolarHBondContact O-N 3.12Å; F19-Y23 HydrophobicContact CB-CE1 4.3Å; F19-Y23 HydrophobicContact CB-CE2 4.22Å; F19-Y23 WeakPolarHBondContact O-CD1 3.28Å; F19-Y23 WeakPolarHBondContact O-CD2 3.34Å; F19-Y23 PolarHBondContact O-N 3.44Å
20Q93.3Very high92.9Very high54 Ų5467.5 Ų67.525%0.25235%0.348SS..Hα-helixtrans-62.8-32.4176.6-73.7-64.2-40.700113.1D6 I9 L18 A24 P128D6-Q20 PolarHBondContact O-NE2 2.93Å; I9-Q20 HydrophobicContact CB-CG 4.4Å; I9-Q20 HydrophobicContact CG1-CB 4.01Å; I9-Q20 HydrophobicContact CG1-CG 4.43Å; L18-Q20 VanDerWaalsContact C-N 3.25Å; L18-Q20 PolarHBondContact O-N 2.93Å; L18-Q20 VanDerWaalsContact O-N 3.16Å; Q20-A24 PolarHBondContact O-N 2.91Å; Q20-A24 VanDerWaalsContact O-N 3.15Å; Q20-P128 HydrophobicContact CB-CG 4.25Å; Q20-P128 WeakPolarHBondContact O-CG 3.27Å
21V94.4Very high93.4Very high15 Ų1565 Ų659%0.09133%0.334CS..Hα-helixtrans-73.9-41.3175.2179.50000110.3L18 F19 Y23 A24 Q25 T121L18-V21 HydrophobicContact CB-CB 4.38Å; L18-V21 HydrophobicContact CB-CG2 4.06Å; L18-V21 HydrophobicContact CD1-CG2 4.46Å; L18-V21 WeakPolarHBondContact O-CB 3.4Å; L18-V21 PolarHBondContact O-N 2.79Å; F19-V21 VanDerWaalsContact C-N 3.26Å; F19-V21 PolarHBondContact O-N 3.13Å; V21-Y23 VanDerWaalsContact C-N 3.34Å; V21-Y23 PolarHBondContact O-N 3.39Å; V21-A24 WeakPolarHBondContact O-CB 3.41Å; V21-A24 PolarHBondContact O-N 3.31Å; V21-Q25 WeakPolarHBondContact O-CG 3.3Å; V21-Q25 PolarHBondContact O-N 3.08Å; V21-T121 HydrophobicContact CG2-CG2 3.53Å
22E94.6Very high93.8Very high65 Ų6562.8 Ų62.830%0.30432%0.321SS..Hα-helixtrans-61.9-41.8175.8-62.7-177.7174.100111.5H17 L18 F19 A24 Q25 E26H17-E22 IonicContact CE1-OE1 3.78Å; H17-E22 IonicContact CG-OE1 3.48Å; H17-E22 IonicContact ND1-OE1 2.71Å; H17-E22 PolarHBondContact ND1-OE1 2.99Å; L18-E22 PolarHBondContact O-N 2.88Å; F19-E22 WeakPolarHBondContact CD1-OE2 3.24Å; F19-E22 PolarHBondContact O-N 3.12Å; E22-A24 VanDerWaalsContact C-N 3.31Å; E22-A24 PolarHBondContact O-N 3.4Å; E22-Q25 WeakPolarHBondContact O-CB 3.27Å; E22-Q25 PolarHBondContact O-N 3.09Å; E22-Q25 VanDerWaalsContact O-N 3.13Å; E22-E26 PolarHBondContact O-N 3.43Å
23Y95.4Very high94.1Very high98 Ų9856.7 Ų56.738%0.38429%0.294SS..Hα-helixtrans-64.4-36.7175.3-60.8-14.1000112.3D6 F19 V21 Q25 E26 A27D6-Y23 HydrophobicContact CB-CE2 3.98Å; F19-Y23 HydrophobicContact CB-CE1 4.3Å; F19-Y23 HydrophobicContact CB-CE2 4.22Å; F19-Y23 WeakPolarHBondContact O-CD1 3.28Å; F19-Y23 WeakPolarHBondContact O-CD2 3.34Å; F19-Y23 PolarHBondContact O-N 3.44Å; V21-Y23 VanDerWaalsContact C-N 3.34Å; V21-Y23 PolarHBondContact O-N 3.39Å; Y23-Q25 VanDerWaalsContact C-N 3.33Å; Y23-E26 PolarHBondContact O-N 3.01Å; Y23-A27 PolarHBondContact O-N 2.91Å
24A96.1Very high94.4Very high8 Ų856.4 Ų56.47%0.06629%0.292CS..Hα-helixtrans-64.6-38.5173.300000111.6Q20 V21 E22 A27 V28 P128 P151Q20-A24 PolarHBondContact O-N 2.91Å; Q20-A24 VanDerWaalsContact O-N 3.15Å; V21-A24 WeakPolarHBondContact O-CB 3.41Å; V21-A24 PolarHBondContact O-N 3.31Å; E22-A24 VanDerWaalsContact C-N 3.31Å; E22-A24 PolarHBondContact O-N 3.4Å; A24-A27 WeakPolarHBondContact O-CB 3.46Å; A24-A27 PolarHBondContact O-N 3.43Å; A24-V28 WeakPolarHBondContact O-CG2 3.48Å; A24-V28 PolarHBondContact O-N 3.46Å; A24-V28 VanDerWaalsContact O-N 3.12Å; A24-P128 HydrophobicContact CB-CG 4.14Å; A24-P151 HydrophobicContact CB-CB 3.63Å; A24-P151 HydrophobicContact CB-CG 4.07Å
25Q95.6Very high94.7Very high75 Ų7551.7 Ų51.735%0.3526%0.262SS..Hα-helixtrans-64.8-38.3172.8-69.4175.6-20.800112V21 E22 Y23 A27 V28 K29 P151V21-Q25 WeakPolarHBondContact O-CG 3.3Å; V21-Q25 PolarHBondContact O-N 3.08Å; E22-Q25 WeakPolarHBondContact O-CB 3.27Å; E22-Q25 PolarHBondContact O-N 3.09Å; E22-Q25 VanDerWaalsContact O-N 3.13Å; Y23-Q25 VanDerWaalsContact C-N 3.33Å; Q25-A27 VanDerWaalsContact C-N 3.3Å; Q25-A27 PolarHBondContact O-N 3.24Å; Q25-V28 WeakPolarHBondContact O-CB 3.44Å; Q25-V28 PolarHBondContact O-N 3.42Å; Q25-V28 VanDerWaalsContact O-N 3.15Å; Q25-K29 PolarHBondContact O-N 3.01Å; Q25-K29 VanDerWaalsContact O-N 3.12Å; Q25-P151 HydrophobicContact CG-CG 4.23Å
26E96.1Very high95.1Very high88 Ų8845.4 Ų45.441%0.41123%0.228SC..Hα-helixtrans-63.7-35.3172.3-69.5-53.6129.100112.3E22 Y23 V28 K29 K30E22-E26 PolarHBondContact O-N 3.43Å; Y23-E26 PolarHBondContact O-N 3.01Å; E26-V28 VanDerWaalsContact C-N 3.31Å; E26-V28 PolarHBondContact O-N 3.14Å; E26-K29 PolarHBondContact O-N 2.98Å; E26-K29 WeakPolarHBondContact OE1-CE 3.32Å; E26-K29 IonicContact OE1-NZ 3.3Å; E26-K29 PolarHBondContact OE1-NZ 3.16Å; E26-K29 IonicContact OE2-NZ 2.63Å; E26-K30 PolarHBondContact O-N 3.32Å
27A95.8Very high95.4Very high28 Ų2843.1 Ų43.123%0.23121%0.205CC..Hα-helixtrans-63.8-36.8172.800000112.1Y23 A24 Q25 K30Y23-A27 PolarHBondContact O-N 2.91Å; A24-A27 WeakPolarHBondContact O-CB 3.46Å; A24-A27 PolarHBondContact O-N 3.43Å; Q25-A27 VanDerWaalsContact C-N 3.3Å; Q25-A27 PolarHBondContact O-N 3.24Å; A27-K30 PolarHBondContact O-N 3.43Å
28V97.1Very high95.6Very high9 Ų942.1 Ų42.16%0.05520%0.198CC..Hα-helixtrans-62.5-43.8174175.70000111.1A24 Q25 E26 K30 G31 A76 S132 P151 G164A24-V28 WeakPolarHBondContact O-CG2 3.48Å; A24-V28 PolarHBondContact O-N 3.46Å; A24-V28 VanDerWaalsContact O-N 3.12Å; Q25-V28 WeakPolarHBondContact O-CB 3.44Å; Q25-V28 PolarHBondContact O-N 3.42Å; Q25-V28 VanDerWaalsContact O-N 3.15Å; E26-V28 VanDerWaalsContact C-N 3.31Å; E26-V28 PolarHBondContact O-N 3.14Å; V28-K30 PolarHBondContact O-N 2.93Å; V28-K30 VanDerWaalsContact O-N 3.14Å; V28-G31 WeakPolarHBondContact O-CA 3.48Å; V28-G31 PolarHBondContact O-N 2.88Å; V28-A76 HydrophobicContact CG1-CB 4.15Å; V28-S132 VanDerWaalsContact CG2-N 3.3Å; V28-P151 HydrophobicContact CG2-CG 3.88Å; V28-G164 WeakPolarHBondContact O-CA 3.3Å
29K95.6Very high95.8Very high120 Ų12040.4 Ų40.452%0.52219%0.19SC..Hα-helixtrans-60.6-23.2178.7-68.8177.2-174.9169.70113.4Q25 E26 R165Q25-K29 PolarHBondContact O-N 3.01Å; Q25-K29 VanDerWaalsContact O-N 3.12Å; E26-K29 PolarHBondContact O-N 2.98Å; E26-K29 WeakPolarHBondContact OE1-CE 3.32Å; E26-K29 IonicContact OE1-NZ 3.3Å; E26-K29 PolarHBondContact OE1-NZ 3.16Å; E26-K29 IonicContact OE2-NZ 2.63Å; K29-R165 WeakPolarHBondContact O-CA 3.17Å; K29-R165 WeakPolarHBondContact O-CB 3.42Å; K29-R165 PolarHBondContact O-N 2.84Å
30K93.9Very high95.8Very high166 Ų16644.2 Ų44.272%0.72221%0.206SC*.THydrogen-bonded Turntrans-83.4-13.3174.4-64.9176-177.4177.50113.4E26 A27 V28E26-K30 PolarHBondContact O-N 3.32Å; A27-K30 PolarHBondContact O-N 3.43Å; V28-K30 PolarHBondContact O-N 2.93Å; V28-K30 VanDerWaalsContact O-N 3.14Å
31G94.1Very high95.9Very high8 Ų845.5 Ų45.58%0.08222%0.215CC..SBendtrans-72.3158.8176.800000113V28 R165V28-G31 WeakPolarHBondContact O-CA 3.48Å; V28-G31 PolarHBondContact O-N 2.88Å; G31-R165 WeakPolarHBondContact O-CB 3.49Å; G31-R165 PolarHBondContact O-N 3.38Å
32S94.4Very high96Very high8 Ų844.9 Ų44.96%0.05621%0.211CC..PPolyproline II helixtrans-58148.9171.3-42.40000111.5E48 K63 A76S32-E48 WeakPolarHBondContact CB-O 3.45Å; S32-E48 PolarHBondContact OG-O 2.68Å; S32-K63 PolarHBondContact OG-NZ 3.43Å; S32-A76 WeakPolarHBondContact O-CB 3.46Å
33T96.6Very high96.1Very high0 Ų041.8 Ų41.80%020%0.197CC..PPolyproline II helixtrans-66.2136177.4-49.60000110.7V35 E48 I163 R165 V170 L197 V200T33-V35 HydrophobicContact CG2-CG2 4.4Å; T33-E48 PolarHBondContact N-OE2 3.07Å; T33-E48 WeakPolarHBondContact O-CB 3.22Å; T33-E48 PolarHBondContact O-N 2.69Å; T33-I163 CarbonylContact C-O 3.57Å; T33-I163 WeakPolarHBondContact CA-O 3.38Å; T33-R165 VanDerWaalsContact OG1-CG 3.29Å; T33-R165 WeakPolarHBondContact OG1-CG 3.49Å; T33-R165 PolarHBondContact OG1-O 3.38Å; T33-V170 HydrophobicContact CG2-CG2 4.06Å; T33-L197 HydrophobicContact CG2-CD2 4.43Å; T33-V200 HydrophobicContact CG2-CG2 4.48Å
34A97.9Very high96.2Very high0 Ų037.1 Ų37.10%018%0.178CC..EExtended strand (participates in β ladder)trans-129.2143.3168.800000109.4G46 V47 A74 L134 A162 I163A34-G46 CarbonylContact C-O 3.55Å; A34-G46 VanDerWaalsContact CA-O 3.3Å; A34-G46 WeakPolarHBondContact CA-O 3.4Å; A34-V47 HydrophobicContact CB-CG1 4.48Å; A34-V47 HydrophobicContact CB-CG2 3.92Å; A34-A74 HydrophobicContact CB-CB 4.36Å; A34-L134 HydrophobicContact CB-CD1 4.34Å; A34-A162 CarbonylContact O-C 3.55Å; A34-A162 VanDerWaalsContact O-CA 3.23Å; A34-A162 WeakPolarHBondContact O-CA 3.42Å; A34-I163 HydrophobicContact CB-CD1 4.4Å; A34-I163 HydrophobicContact CB-CG1 3.89Å; A34-I163 PolarHBondContact N-O 3.45Å; A34-I163 PolarHBondContact O-N 2.79Å
35V98.4Very high96.3Very high0 Ų036.9 Ų36.90%018%0.176CC..EExtended strand (participates in β ladder)trans-128.6137.6-176.7-178.20000109T33 I37 L45 G46 N161 A162 V170 L174 A196 L197T33-V35 HydrophobicContact CG2-CG2 4.4Å; V35-I37 HydrophobicContact CG1-CD1 4.43Å; V35-I37 HydrophobicContact CG1-CG1 4.05Å; V35-L45 WeakPolarHBondContact O-CA 3.29Å; V35-G46 PolarHBondContact N-O 3.34Å; V35-G46 PolarHBondContact O-N 3.44Å; V35-N161 WeakPolarHBondContact CA-O 3.07Å; V35-A162 HydrophobicContact CG2-CB 4.17Å; V35-V170 HydrophobicContact CG2-CG1 3.72Å; V35-L174 HydrophobicContact CG1-CD1 4.03Å; V35-A196 HydrophobicContact CG1-CB 4.26Å; V35-L197 HydrophobicContact CG2-CD2 3.79Å; V35-L197 HydrophobicContact CG2-CG 4.19Å
36G98.4Very high96.4Very high0 Ų033.3 Ų33.30%016%0.159CC..EExtended strand (participates in β ladder)trans-122.1133.4172.200000110V44 L146 A160 N161G36-V44 WeakPolarHBondContact CA-O 3.42Å; G36-L146 WeakPolarHBondContact O-CD2 3.28Å; G36-A160 CarbonylContact O-C 3.51Å; G36-A160 WeakPolarHBondContact O-CA 3.31Å; G36-N161 PolarHBondContact N-O 3.28Å; G36-N161 PolarHBondContact O-N 3.08Å
37I98.2Very high96.4Very high0 Ų029.3 Ų29.30%014%0.141CC..EExtended strand (participates in β ladder)trans-130.1125.3177.8-57.3-168.3000109.1V35 V43 V44 A160 L174 Y178 I183 L192 A193V35-I37 HydrophobicContact CG1-CD1 4.43Å; V35-I37 HydrophobicContact CG1-CG1 4.05Å; I37-V43 WeakPolarHBondContact O-CA 3.37Å; I37-V43 WeakPolarHBondContact O-CG2 3.36Å; I37-V44 PolarHBondContact N-O 3.39Å; I37-V44 PolarHBondContact O-N 3.07Å; I37-A160 HydrophobicContact CG1-CB 4.39Å; I37-L174 HydrophobicContact CD1-CD2 3.98Å; I37-L174 HydrophobicContact CG1-CD2 4.43Å; I37-Y178 HydrophobicContact CG2-CD2 4.32Å; I37-Y178 HydrophobicContact CG2-CE2 3.98Å; I37-I183 HydrophobicContact CG2-CG2 4.47Å; I37-L192 HydrophobicContact CD1-CB 3.87Å; I37-L192 HydrophobicContact CD1-CD2 3.85Å; I37-L192 HydrophobicContact CD1-CG 3.6Å; I37-L192 HydrophobicContact CG2-CD2 4.25Å; I37-A193 VanDerWaalsContact CD1-CA 3.45Å; I37-A193 HydrophobicContact CD1-CB 3.75Å; I37-A193 VanDerWaalsContact CD1-N 3.29Å; I37-A193 HydrophobicContact CG1-CB 4.3Å
38R97.4Very high96.2Very high66 Ų6628.3 Ų28.325%0.24913%0.131CC..EExtended strand (participates in β ladder)trans-92.6114.3171.5-174.117866.1171.78109.8P144 K159 Y178R38-P144 WeakPolarHBondContact CD-O 3.43Å; R38-P144 HydrophobicContact CG-CB 3.88Å; R38-P144 HydrophobicContact CG-CG 3.74Å; R38-K159 WeakPolarHBondContact CB-O 3.13Å; R38-K159 PolarHBondContact N-O 2.8Å; R38-Y178 PolarHBondContact O-OH 3.45Å
39G95.9Very high95.8Very high5 Ų529.2 Ų29.25%0.05214%0.135CC..  trans-86.5-167.6165.500000112.4I42 P144G39-I42 VanDerWaalsContact CA-O 3.29Å; G39-I42 WeakPolarHBondContact CA-O 3.01Å; G39-I42 PolarHBondContact N-O 3.4Å; G39-P144 WeakPolarHBondContact O-CG 3.06Å
40K92.7Very high94.9Very high116 Ų11629.2 Ų29.250%0.50414%0.135SC..SBendtrans-75.4-51174.7-66.8-178.1-178.91760112.3P144K40-P144 WeakPolarHBondContact O-CG 3.27Å
41D94.4Very high93.8Very high81 Ų8126.2 Ų26.243%0.43313%0.134SC..SBendtrans-121.814.1-178.6-65.9-66.6000113F138 R214 R215D41-F138 WeakPolarHBondContact O-CZ 3.34Å; D41-R214 WeakPolarHBondContact O-CA 3.39Å; D41-R215 PolarHBondContact O-N 2.81Å
42I96.6Very high92.8Very high1 Ų127.5 Ų27.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-139148-179.2-171.1170.6000110.9G39 V44 D186 A189 I190 V212 I213 R214G39-I42 VanDerWaalsContact CA-O 3.29Å; G39-I42 WeakPolarHBondContact CA-O 3.01Å; G39-I42 PolarHBondContact N-O 3.4Å; I42-V44 HydrophobicContact CD1-CG2 3.88Å; I42-V44 HydrophobicContact CG1-CG2 3.97Å; I42-D186 HydrophobicContact CD1-CB 3.9Å; I42-A189 HydrophobicContact CG2-CB 3.84Å; I42-I190 HydrophobicContact CD1-CD1 4.11Å; I42-I190 HydrophobicContact CD1-CG1 4.09Å; I42-V212 HydrophobicContact CD1-CB 4.17Å; I42-V212 HydrophobicContact CD1-CG1 4.22Å; I42-I213 WeakPolarHBondContact CA-O 3.44Å; I42-I213 WeakPolarHBondContact CG1-O 3.44Å; I42-R214 HydrophobicContact CD1-CG 4.34Å; I42-R214 HydrophobicContact CG1-CG 4.21Å
43V97.4Very high92.2Very high1 Ų130.3 Ų30.31%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-127.6132.7161.6660000109.8I37 V136 F138 P144 I213I37-V43 WeakPolarHBondContact O-CA 3.37Å; I37-V43 WeakPolarHBondContact O-CG2 3.36Å; V43-V136 HydrophobicContact CB-CB 4.37Å; V43-V136 HydrophobicContact CG1-CB 3.87Å; V43-V136 HydrophobicContact CG1-CG2 4.06Å; V43-V136 HydrophobicContact CG2-CB 3.56Å; V43-V136 HydrophobicContact CG2-CG1 3.56Å; V43-V136 HydrophobicContact CG2-CG2 4.31Å; V43-F138 HydrophobicContact CG1-CD2 4.47Å; V43-F138 HydrophobicContact CG1-CE2 3.96Å; V43-P144 HydrophobicContact CB-CB 4.41Å; V43-I213 HydrophobicContact CG1-CB 3.86Å; V43-I213 HydrophobicContact CG1-CD1 4.37Å; V43-I213 HydrophobicContact CG1-CG1 4.4Å; V43-I213 PolarHBondContact N-O 2.87Å; V43-I213 PolarHBondContact O-N 3.18Å
44V98.1Very high91.5Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-115.3129.7-174.3-174.30000109.1G36 I37 I42 A189 I190 A193 L210 V212G36-V44 WeakPolarHBondContact CA-O 3.42Å; I37-V44 PolarHBondContact N-O 3.39Å; I37-V44 PolarHBondContact O-N 3.07Å; I42-V44 HydrophobicContact CD1-CG2 3.88Å; I42-V44 HydrophobicContact CG1-CG2 3.97Å; V44-A189 HydrophobicContact CG2-CB 4.32Å; V44-I190 HydrophobicContact CG2-CG1 3.95Å; V44-A193 HydrophobicContact CB-CB 4.42Å; V44-A193 HydrophobicContact CG1-CB 3.71Å; V44-L210 HydrophobicContact CG1-CD2 3.71Å; V44-V212 HydrophobicContact CG1-CG1 4.25Å; V44-V212 HydrophobicContact CG2-CG1 4.17Å
45L98.2Very high91.1Very high2 Ų249.1 Ų49.11%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-111.1122.6165.6-79.5176.8000109.2V35 I64 C72 A74 L134 V136 L210 A211V35-L45 WeakPolarHBondContact O-CA 3.29Å; L45-I64 HydrophobicContact CB-CD1 4.3Å; L45-I64 HydrophobicContact CD1-CG2 4.5Å; L45-C72 HydrophobicContact CD1-CB 4.29Å; L45-A74 HydrophobicContact CD1-CB 3.91Å; L45-A74 HydrophobicContact CD2-CB 3.95Å; L45-A74 HydrophobicContact CG-CB 4.37Å; L45-L134 HydrophobicContact CD2-CB 3.84Å; L45-L134 HydrophobicContact CD2-CD1 4.2Å; L45-V136 HydrophobicContact CD1-CB 4.38Å; L45-V136 HydrophobicContact CD1-CG1 4.16Å; L45-V136 HydrophobicContact CD1-CG2 3.39Å; L45-V136 HydrophobicContact CD2-CG1 3.75Å; L45-V136 HydrophobicContact CD2-CG2 4.48Å; L45-V136 HydrophobicContact CG-CB 4.37Å; L45-V136 HydrophobicContact CG-CG1 3.81Å; L45-V136 HydrophobicContact CG-CG2 3.65Å; L45-L210 WeakPolarHBondContact O-CA 3.45Å; L45-A211 PolarHBondContact N-O 3.44Å; L45-A211 PolarHBondContact O-N 3.24Å
46G97Very high90.4Very high0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-113.7137.317200000110.5A34 V35 E209A34-G46 CarbonylContact C-O 3.55Å; A34-G46 VanDerWaalsContact CA-O 3.3Å; A34-G46 WeakPolarHBondContact CA-O 3.4Å; V35-G46 PolarHBondContact N-O 3.34Å; V35-G46 PolarHBondContact O-N 3.44Å; G46-E209 CarbonylContact C-O 3.24Å; G46-E209 WeakPolarHBondContact CA-O 3.23Å
47V95.7Very high89.7Confident4 Ų460 Ų602%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-129.8135.7174.2-174.70000109.9A34 K49 K63 I64 A74 E209A34-V47 HydrophobicContact CB-CG1 4.48Å; A34-V47 HydrophobicContact CB-CG2 3.92Å; V47-K49 PolarHBondContact O-N 3.37Å; V47-K63 HydrophobicContact CB-CB 4.4Å; V47-K63 HydrophobicContact CG1-CB 3.76Å; V47-K63 HydrophobicContact CG1-CD 3.7Å; V47-K63 HydrophobicContact CG1-CG 4.3Å; V47-K63 HydrophobicContact CG2-CB 4.26Å; V47-I64 HydrophobicContact CB-CG1 4.39Å; V47-I64 HydrophobicContact CG2-CD1 3.96Å; V47-I64 HydrophobicContact CG2-CG1 3.55Å; V47-A74 HydrophobicContact CG2-CB 3.88Å; V47-E209 PolarHBondContact N-O 2.77Å; V47-E209 PolarHBondContact O-N 3.13Å
48E92.8Very high88.7Confident7 Ų764.6 Ų64.63%0.03333%0.326CS..EExtended strand (participates in β ladder)trans-67117.5166.3174.2-177.1-137.900110.2S32 T33 R165 V201S32-E48 WeakPolarHBondContact CB-O 3.45Å; S32-E48 PolarHBondContact OG-O 2.68Å; T33-E48 PolarHBondContact N-OE2 3.07Å; T33-E48 WeakPolarHBondContact O-CB 3.22Å; T33-E48 PolarHBondContact O-N 2.69Å; E48-R165 VanDerWaalsContact CD-NH2 3.28Å; E48-R165 IonicContact OE1-CZ 3.55Å; E48-R165 IonicContact OE1-NE 2.7Å; E48-R165 PolarHBondContact OE1-NE 2.89Å; E48-R165 IonicContact OE1-NH2 3.49Å; E48-R165 PolarHBondContact OE1-NH2 2.98Å; E48-R165 IonicContact OE2-CZ 2.73Å; E48-R165 IonicContact OE2-NE 3.49Å; E48-R165 PolarHBondContact OE2-NE 3.47Å; E48-R165 IonicContact OE2-NH2 3.57Å; E48-R165 PolarHBondContact OE2-NH2 3.15Å; E48-V201 HydrophobicContact CB-CG2 4.31Å; E48-V201 HydrophobicContact CG-CG2 3.9Å
49K87.1Confident87.8Confident29 Ų2970.9 Ų70.913%0.12635%0.349CS..PPolyproline II helixtrans-90.9124.7172.1-167.2173-159.2148.70109.3V47 S51 E58 N207 E209V47-K49 PolarHBondContact O-N 3.37Å; K49-S51 PolarHBondContact O-N 3.49Å; K49-E58 VanDerWaalsContact CE-CG 3.4Å; K49-E58 WeakPolarHBondContact CE-OE1 3.41Å; K49-E58 VanDerWaalsContact NZ-CD 3.3Å; K49-E58 IonicContact NZ-OE1 3.81Å; K49-E58 PolarHBondContact NZ-OE1 3.13Å; K49-N207 PolarHBondContact N-O 2.9Å; K49-N207 WeakPolarHBondContact O-CA 3.46Å; K49-N207 WeakPolarHBondContact O-CB 3.49Å; K49-N207 PolarHBondContact O-OD1 2.9Å; K49-E209 IonicContact NZ-OE2 3.93Å; K49-E209 PolarHBondContact NZ-OE2 3.48Å
50K77.8Confident87Confident120 Ų12075 Ų7552%0.52237%0.374SS..PPolyproline II helixtrans-75.3126.5167.1-71.3-171.4178.4-176.60107.6V52K50-V52 PolarHBondContact O-N 3.17Å
51S71.7Confident86.4Confident102 Ų10272.2 Ų72.271%0.71337%0.366SS*.  trans-51.4114.8169.5-174.10000108.9K49K49-S51 PolarHBondContact O-N 3.49Å
52V72.6Confident85.9Confident36 Ų3674.2 Ų74.222%0.21837%0.368CS..  trans-81.1154.5177.1-690000108.9K50 Q56 V61K50-V52 PolarHBondContact O-N 3.17Å; V52-Q56 HydrophobicContact CB-CB 3.99Å; V52-Q56 HydrophobicContact CB-CG 4.02Å; V52-Q56 HydrophobicContact CG1-CG 4.28Å; V52-Q56 HydrophobicContact CG2-CB 4.31Å; V52-Q56 HydrophobicContact CG2-CG 4.42Å; V52-V61 HydrophobicContact CG1-CG2 4.13Å
53A80.9Confident85.8Confident66 Ų6675.4 Ų75.455%0.54537%0.373SS..  trans-56147.9174.500000109.9L55 Q56A53-L55 PolarHBondContact O-N 2.87Å; A53-Q56 WeakPolarHBondContact O-CB 3.2Å; A53-Q56 PolarHBondContact O-N 3.43Å
54K83.4Confident85.8Confident218 Ų21875.6 Ų75.695%0.94837%0.374SS*.THydrogen-bonded Turntrans-55.5-22.3-179.2-66.5-177179.5179.70114
55L89.3Confident85.6Confident177 Ų17776.9 Ų76.993%0.92738%0.382SS*.THydrogen-bonded Turntrans-85.6-8.6178.2-59.6177.2000113.6A53A53-L55 PolarHBondContact O-N 2.87Å
56Q83.9Confident85.6Confident91 Ų9178.6 Ų78.643%0.42540%0.397SS..SBendtrans-96.6129.6-177.8180170.513.200110.6V52 A53 E58 V61V52-Q56 HydrophobicContact CB-CB 3.99Å; V52-Q56 HydrophobicContact CB-CG 4.02Å; V52-Q56 HydrophobicContact CG1-CG 4.28Å; V52-Q56 HydrophobicContact CG2-CB 4.31Å; V52-Q56 HydrophobicContact CG2-CG 4.42Å; A53-Q56 WeakPolarHBondContact O-CB 3.2Å; A53-Q56 PolarHBondContact O-N 3.43Å; Q56-E58 PolarHBondContact O-N 3.24Å; Q56-V61 VanDerWaalsContact NE2-CG2 3.29Å
57E82.9Confident85.5Confident139 Ų13978.9 Ų78.965%0.6540%0.398SS*.  trans-69.9118176.2-71.8-173.8-173.300112.1R59 T60E57-R59 PolarHBondContact O-N 3.39Å; E57-T60 HydrophobicContact CB-CG2 4.08Å; E57-T60 PolarHBondContact O-N 3.01Å; E57-T60 VanDerWaalsContact O-N 3.16Å; E57-T60 PolarHBondContact O-OG1 3.37Å
58E77.7Confident85.5Confident96 Ų9679.5 Ų79.545%0.44940%0.401SS..G310 helixtrans-59.5-32.6-178.1-170.8176.5177.200113.4K49 Q56 T60 V61K49-E58 VanDerWaalsContact CE-CG 3.4Å; K49-E58 WeakPolarHBondContact CE-OE1 3.41Å; K49-E58 VanDerWaalsContact NZ-CD 3.3Å; K49-E58 IonicContact NZ-OE1 3.81Å; K49-E58 PolarHBondContact NZ-OE1 3.13Å; Q56-E58 PolarHBondContact O-N 3.24Å; E58-T60 PolarHBondContact O-N 2.83Å; E58-T60 VanDerWaalsContact O-N 3.1Å; E58-V61 PolarHBondContact O-N 2.83Å
59R77.5Confident85.5Confident198 Ų19886 Ų8675%0.74743%0.432SS*.G310 helixtrans-56.1-28.2178.5169.4178.8161.7110.5-1.7113E57E57-R59 PolarHBondContact O-N 3.39Å
60T80.1Confident85.8Confident92 Ų9286.4 Ų86.456%0.56443%0.434SS*.G310 helixtrans-82.3-20.8-170.864.80000113.7E57 E58E57-T60 HydrophobicContact CB-CG2 4.08Å; E57-T60 PolarHBondContact O-N 3.01Å; E57-T60 VanDerWaalsContact O-N 3.16Å; E57-T60 PolarHBondContact O-OG1 3.37Å; E58-T60 PolarHBondContact O-N 2.83Å; E58-T60 VanDerWaalsContact O-N 3.1Å
61V78.9Confident86.7Confident56 Ų5680.7 Ų80.734%0.33941%0.409SS..  trans-107.369.3-173.5-167.40000110.1V52 Q56 E58V52-V61 HydrophobicContact CG1-CG2 4.13Å; Q56-V61 VanDerWaalsContact NE2-CG2 3.29Å; E58-V61 PolarHBondContact O-N 2.83Å
62R85.1Confident87.9Confident124 Ų12475.9 Ų75.947%0.46838%0.375SS..  trans-99.3136.6175.4-66.4-172.9-178.4-162.6-3.9111.4
63K94.2Very high89.1Confident25 Ų2574.1 Ų74.111%0.10937%0.365CS..  trans-110.7-14.2174.2-74.2-166.7167.1-168.40113.5S32 V47 A74 F75S32-K63 PolarHBondContact OG-NZ 3.43Å; V47-K63 HydrophobicContact CB-CB 4.4Å; V47-K63 HydrophobicContact CG1-CB 3.76Å; V47-K63 HydrophobicContact CG1-CD 3.7Å; V47-K63 HydrophobicContact CG1-CG 4.3Å; V47-K63 HydrophobicContact CG2-CB 4.26Å; K63-A74 WeakPolarHBondContact O-CA 3.37Å; K63-F75 HydrophobicContact CB-CE1 4.37Å; K63-F75 HydrophobicContact CB-CZ 4.5Å; K63-F75 HydrophobicContact CG-CE1 4.44Å; K63-F75 HydrophobicContact CG-CE2 4.41Å; K63-F75 HydrophobicContact CG-CZ 4.08Å; K63-F75 WeakPolarHBondContact O-CD1 3.36Å; K63-F75 PolarHBondContact O-N 2.95Å
64I96.2Very high89.9Confident6 Ų671 Ų713%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-97.6125.8172.4-55-179000108L45 V47 C72 M73 A74 E209 A211L45-I64 HydrophobicContact CB-CD1 4.3Å; L45-I64 HydrophobicContact CD1-CG2 4.5Å; V47-I64 HydrophobicContact CB-CG1 4.39Å; V47-I64 HydrophobicContact CG2-CD1 3.96Å; V47-I64 HydrophobicContact CG2-CG1 3.55Å; I64-C72 WeakPolarHBondContact CG2-SG 3.46Å; I64-M73 WeakPolarHBondContact CA-O 3.45Å; I64-A74 HydrophobicContact CG1-CB 4.42Å; I64-E209 HydrophobicContact CD1-CG 4.27Å; I64-A211 HydrophobicContact CD1-CB 3.78Å; I64-A211 HydrophobicContact CG2-CB 3.7Å
65C95.7Very high90.6Very high26 Ų2660.8 Ų60.818%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-135.6128.5-175.5-72.20000110.6L67 C72 M73 I86C65-L67 PolarHBondContact O-N 3.16Å; C65-C72 PolarHBondContact O-SG 3.04Å; C65-M73 PolarHBondContact N-O 2.95Å; C65-M73 PolarHBondContact O-N 3.42Å; C65-I86 HydrophobicContact CB-CD1 3.98Å; C65-I86 HydrophobicContact CB-CG1 4.46Å; C65-I86 HydrophobicContact CB-CG2 4.26Å
66A96.2Very high91Very high38 Ų3852.4 Ų52.431%0.31425%0.251SS..EExtended strand (participates in β ladder)trans-67.2128.8167.400000109.9R90 L219A66-R90 VanDerWaalsContact O-CZ 3.29Å; A66-R90 PolarHBondContact O-NE 3.34Å; A66-R90 PolarHBondContact O-NH2 3.16Å; A66-L219 HydrophobicContact CB-CD2 3.96Å
67L96.8Very high91.6Very high7 Ų748.6 Ų48.64%0.03724%0.236CC..SBendtrans-92.3-36.7168.9-60.5-173.9000110.4C65 V71 M73 I86 A89 R90 I109 I113C65-L67 PolarHBondContact O-N 3.16Å; L67-V71 HydrophobicContact CB-CB 4.33Å; L67-V71 HydrophobicContact CB-CG1 4.15Å; L67-V71 HydrophobicContact CD1-CG1 4.09Å; L67-V71 HydrophobicContact CG-CG1 4.46Å; L67-V71 PolarHBondContact N-O 3.01Å; L67-M73 HydrophobicContact CD1-CB 3.98Å; L67-M73 HydrophobicContact CD1-SD 4.37Å; L67-M73 HydrophobicContact CD2-CB 4.17Å; L67-M73 HydrophobicContact CD2-SD 4.2Å; L67-M73 HydrophobicContact CG-CB 3.94Å; L67-I86 HydrophobicContact CD2-CB 4.47Å; L67-I86 HydrophobicContact CD2-CG1 4.49Å; L67-I86 HydrophobicContact CD2-CG2 4.04Å; L67-A89 HydrophobicContact CD1-CB 4.08Å; L67-A89 HydrophobicContact CD2-CB 3.99Å; L67-R90 HydrophobicContact CD2-CG 4.47Å; L67-I109 HydrophobicContact CD1-CG1 4.21Å; L67-I113 HydrophobicContact CD1-CD1 4.08Å
68D95.1Very high92.2Very high16 Ų1645.9 Ų45.99%0.08623%0.225CC..SBendtrans-149.6-178.7175-152.8-14.7000108.8H70 V71 C93 R97D68-H70 VanDerWaalsContact C-N 3.28Å; D68-H70 PolarHBondContact O-N 2.91Å; D68-H70 IonicContact OD2-CE1 3.67Å; D68-H70 PolarHBondContact OD2-CE1 3.33Å; D68-H70 IonicContact OD2-ND1 2.77Å; D68-V71 HydrophobicContact CB-CB 4.27Å; D68-V71 HydrophobicContact CB-CG2 4.43Å; D68-V71 PolarHBondContact N-O 3.47Å; D68-V71 PolarHBondContact O-N 3Å; D68-V71 VanDerWaalsContact O-O 3.06Å; D68-C93 HydrophobicContact CB-CB 4.36Å; D68-R97 IonicContact OD1-CZ 3.69Å; D68-R97 IonicContact OD1-NH2 3.82Å; D68-R97 PolarHBondContact OD1-NH2 3.1Å; D68-R97 IonicContact OD2-CZ 2.88Å; D68-R97 IonicContact OD2-NH2 3.84Å; D68-R97 PolarHBondContact OD2-NH2 3.26Å
69E92.1Very high93.1Very high144 Ų14445.4 Ų45.467%0.67323%0.229SC*.SBendtrans-58.6-38.1-179.8-68.1174.5-154.400113.1R97E69-R97 IonicContact OE1-NH1 3.71Å
70H93.9Very high93.9Very high37 Ų3739.4 Ų39.417%0.17122%0.222CC..SBendtrans-107-0.4-17662.3-56.8000113.7D68 V104 G137 F138D68-H70 VanDerWaalsContact C-N 3.28Å; D68-H70 PolarHBondContact O-N 2.91Å; D68-H70 IonicContact OD2-CE1 3.67Å; D68-H70 PolarHBondContact OD2-CE1 3.33Å; D68-H70 IonicContact OD2-ND1 2.77Å; H70-V104 PolarHBondContact NE2-O 2.86Å; H70-G137 WeakPolarHBondContact O-CA 3.47Å; H70-F138 PolarHBondContact CD2-O 3.24Å; H70-F138 VanDerWaalsContact CD2-O 3.28Å; H70-F138 PolarHBondContact O-N 3.35Å
71V96.6Very high94.7Very high1 Ų135.3 Ų35.31%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-126.1127.6-176.7-173.40000111.5L67 D68 V104 V106 I109 I135 V136L67-V71 HydrophobicContact CB-CB 4.33Å; L67-V71 HydrophobicContact CB-CG1 4.15Å; L67-V71 HydrophobicContact CD1-CG1 4.09Å; L67-V71 HydrophobicContact CG-CG1 4.46Å; L67-V71 PolarHBondContact N-O 3.01Å; D68-V71 HydrophobicContact CB-CB 4.27Å; D68-V71 HydrophobicContact CB-CG2 4.43Å; D68-V71 PolarHBondContact N-O 3.47Å; D68-V71 PolarHBondContact O-N 3Å; D68-V71 VanDerWaalsContact O-O 3.06Å; V71-V104 HydrophobicContact CG2-CG2 4.29Å; V71-V106 HydrophobicContact CG2-CG2 4.34Å; V71-I109 HydrophobicContact CG1-CG2 4.09Å; V71-I135 HydrophobicContact CG1-CG2 3.79Å; V71-V136 WeakPolarHBondContact CA-O 3.33Å
72C96.8Very high95.6Very high0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-126.2154176.2-166.70000111.7L45 I64 C65 I135 V136 I213 L219L45-C72 HydrophobicContact CD1-CB 4.29Å; I64-C72 WeakPolarHBondContact CG2-SG 3.46Å; C65-C72 PolarHBondContact O-SG 3.04Å; C72-I135 WeakPolarHBondContact O-CA 3.39Å; C72-V136 HydrophobicContact CB-CG2 3.95Å; C72-V136 PolarHBondContact N-O 3.48Å; C72-V136 PolarHBondContact O-N 3.42Å; C72-I213 HydrophobicContact CB-CD1 3.74Å; C72-L219 HydrophobicContact CB-CD1 4Å; C72-L219 HydrophobicContact CB-CD2 4.33Å
73M98.1Very high96.2Very high0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-132.1129.5-179.5178.8-173.7173.500110I64 C65 L67 F75 V85 I86 I113 I131 A133 L134 I135I64-M73 WeakPolarHBondContact CA-O 3.45Å; C65-M73 PolarHBondContact N-O 2.95Å; C65-M73 PolarHBondContact O-N 3.42Å; L67-M73 HydrophobicContact CD1-CB 3.98Å; L67-M73 HydrophobicContact CD1-SD 4.37Å; L67-M73 HydrophobicContact CD2-CB 4.17Å; L67-M73 HydrophobicContact CD2-SD 4.2Å; L67-M73 HydrophobicContact CG-CB 3.94Å; M73-F75 HydrophobicContact CE-CB 4.35Å; M73-V85 HydrophobicContact CE-CG1 4.04Å; M73-I86 HydrophobicContact CE-CG1 4.26Å; M73-I86 HydrophobicContact SD-CG1 3.71Å; M73-I113 HydrophobicContact SD-CD1 4.48Å; M73-I131 HydrophobicContact CE-CD1 4.35Å; M73-A133 HydrophobicContact CE-CB 3.28Å; M73-A133 HydrophobicContact CG-CB 4.09Å; M73-A133 HydrophobicContact SD-CB 4.39Å; M73-L134 CarbonylContact C-O 3.59Å; M73-L134 VanDerWaalsContact CA-O 3.31Å; M73-L134 WeakPolarHBondContact CA-O 3.46Å; M73-I135 HydrophobicContact CG-CG1 4.31Å
74A98.1Very high96.4Very high0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-107.6151.4161.900000109.9A34 L45 V47 K63 I64 A133 L134A34-A74 HydrophobicContact CB-CB 4.36Å; L45-A74 HydrophobicContact CD1-CB 3.91Å; L45-A74 HydrophobicContact CD2-CB 3.95Å; L45-A74 HydrophobicContact CG-CB 4.37Å; V47-A74 HydrophobicContact CG2-CB 3.88Å; K63-A74 WeakPolarHBondContact O-CA 3.37Å; I64-A74 HydrophobicContact CG1-CB 4.42Å; A74-A133 CarbonylContact O-C 3.59Å; A74-A133 VanDerWaalsContact O-CA 3.26Å; A74-A133 WeakPolarHBondContact O-CA 3.22Å; A74-L134 PolarHBondContact N-O 3.27Å; A74-L134 PolarHBondContact O-N 3.12Å
75F97.9Very high96.5Very high4 Ų437.9 Ų37.92%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-139.6155.1179.868.9-90.1000113.5K63 M73 T79 A82 I86 S132 A133K63-F75 HydrophobicContact CB-CE1 4.37Å; K63-F75 HydrophobicContact CB-CZ 4.5Å; K63-F75 HydrophobicContact CG-CE1 4.44Å; K63-F75 HydrophobicContact CG-CE2 4.41Å; K63-F75 HydrophobicContact CG-CZ 4.08Å; K63-F75 WeakPolarHBondContact O-CD1 3.36Å; K63-F75 PolarHBondContact O-N 2.95Å; M73-F75 HydrophobicContact CE-CB 4.35Å; F75-T79 HydrophobicContact CZ-CG2 4.17Å; F75-A82 HydrophobicContact CB-CB 4.43Å; F75-A82 HydrophobicContact CD1-CB 3.73Å; F75-A82 HydrophobicContact CD2-CB 3.36Å; F75-A82 HydrophobicContact CE1-CB 3.72Å; F75-A82 HydrophobicContact CE2-CB 3.37Å; F75-A82 HydrophobicContact CG-CB 3.56Å; F75-A82 HydrophobicContact CZ-CB 3.56Å; F75-I86 HydrophobicContact CD1-CD1 4.12Å; F75-I86 HydrophobicContact CE1-CD1 4.04Å; F75-S132 WeakPolarHBondContact CA-O 3.45Å; F75-A133 HydrophobicContact CB-CB 4.48Å
76A97.6Very high96.6Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-127.8142.2168.300000109.7V28 S32 I131 S132 I163V28-A76 HydrophobicContact CG1-CB 4.15Å; S32-A76 WeakPolarHBondContact O-CB 3.46Å; A76-I131 VanDerWaalsContact O-CA 3.29Å; A76-I131 WeakPolarHBondContact O-CA 3.26Å; A76-S132 PolarHBondContact N-O 3.23Å; A76-S132 PolarHBondContact O-N 3.3Å; A76-I163 HydrophobicContact CB-CB 4.41Å; A76-I163 HydrophobicContact CB-CD1 3.84Å; A76-I163 HydrophobicContact CB-CG1 3.92Å
77G96.5Very high96.7Very high12 Ų1239 Ų3912%0.12420%0.204CC..EExtended strand (participates in β ladder)trans120.9-149-174.800000112.5T79 G130G77-T79 PolarHBondContact O-N 3.22Å; G77-G130 VanDerWaalsContact CA-O 3.27Å; G77-G130 WeakPolarHBondContact CA-O 3.41Å
78L96.1Very high96.8Very high81 Ų8145.2 Ų45.242%0.42423%0.226SC..  trans-73.5118.8-177-61179000112.3A80 D81 A82 G130 I131L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.11Å; L78-D81 HydrophobicContact CB-CB 4.06Å; L78-D81 WeakPolarHBondContact O-CB 3.42Å; L78-D81 PolarHBondContact O-N 2.92Å; L78-A82 PolarHBondContact O-N 3Å; L78-A82 VanDerWaalsContact O-N 3.09Å; L78-G130 PolarHBondContact N-O 3.19Å; L78-I131 VanDerWaalsContact O-CG2 3.28Å; L78-I131 WeakPolarHBondContact O-CG2 3.31Å
79T95.1Very high96.9Very high86 Ų8644.4 Ų44.453%0.52822%0.222SC..Hα-helixtrans-61.6-35.5-179.9-53.30000113.3F75 G77 A82 R83F75-T79 HydrophobicContact CZ-CG2 4.17Å; G77-T79 PolarHBondContact O-N 3.22Å; T79-A82 PolarHBondContact O-N 2.91Å; T79-R83 PolarHBondContact O-N 3.1Å; T79-R83 VanDerWaalsContact O-N 3.08Å
80A95.3Very high97.2Very high73 Ų7342.3 Ų42.360%0.60321%0.208SC*.Hα-helixtrans-63.6-43178.200000111.8L78 R83L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.11Å; A80-R83 PolarHBondContact O-N 3.16Å
81D97.4Very high97.4Very high5 Ų545.3 Ų45.33%0.02723%0.229CC..Hα-helixtrans-64.1-44.3176.1-7519.7000111L78 R83 I84 V85 R127 F129 G130 I131L78-D81 HydrophobicContact CB-CB 4.06Å; L78-D81 WeakPolarHBondContact O-CB 3.42Å; L78-D81 PolarHBondContact O-N 2.92Å; D81-R83 VanDerWaalsContact C-N 3.3Å; D81-R83 PolarHBondContact O-N 3.22Å; D81-I84 PolarHBondContact O-N 3.35Å; D81-I84 VanDerWaalsContact O-N 3.16Å; D81-V85 PolarHBondContact O-N 3.27Å; D81-R127 IonicContact OD1-CZ 3.93Å; D81-R127 IonicContact OD1-NH1 3.45Å; D81-R127 PolarHBondContact OD1-NH1 3.28Å; D81-R127 IonicContact OD1-NH2 2.95Å; D81-R127 PolarHBondContact OD1-NH2 2.56Å; D81-R127 IonicContact OD2-CZ 2.67Å; D81-R127 IonicContact OD2-NH1 2.69Å; D81-R127 PolarHBondContact OD2-NH1 3.37Å; D81-R127 IonicContact OD2-NH2 3.95Å; D81-R127 PolarHBondContact OD2-NH2 3.21Å; D81-F129 HydrophobicContact CB-CD1 3.93Å; D81-G130 PolarHBondContact OD2-N 3Å; D81-I131 HydrophobicContact CB-CG2 3.83Å
82A97.4Very high97.5Very high0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-57.3-42.5177.500000112.3F75 L78 T79 I84 V85 I86 I131F75-A82 HydrophobicContact CB-CB 4.43Å; F75-A82 HydrophobicContact CD1-CB 3.73Å; F75-A82 HydrophobicContact CD2-CB 3.36Å; F75-A82 HydrophobicContact CE1-CB 3.72Å; F75-A82 HydrophobicContact CE2-CB 3.37Å; F75-A82 HydrophobicContact CG-CB 3.56Å; F75-A82 HydrophobicContact CZ-CB 3.56Å; L78-A82 PolarHBondContact O-N 3Å; L78-A82 VanDerWaalsContact O-N 3.09Å; T79-A82 PolarHBondContact O-N 2.91Å; A82-I84 VanDerWaalsContact C-N 3.28Å; A82-I84 PolarHBondContact O-N 3.13Å; A82-V85 PolarHBondContact O-N 2.72Å; A82-I86 HydrophobicContact CB-CD1 4.33Å; A82-I86 WeakPolarHBondContact O-CB 3.46Å; A82-I86 WeakPolarHBondContact O-CD1 3.46Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 2.63Å; A82-I131 HydrophobicContact CB-CD1 4.09Å; A82-I131 HydrophobicContact CB-CG2 4.24Å
83R97Very high97.6Very high185 Ų18546.7 Ų46.770%0.69824%0.235SC*.Hα-helixtrans-58.2-39.9178.3-179.2177.1-103.9-161.5-4.4112.3T79 A80 D81 N87T79-R83 PolarHBondContact O-N 3.1Å; T79-R83 VanDerWaalsContact O-N 3.08Å; A80-R83 PolarHBondContact O-N 3.16Å; D81-R83 VanDerWaalsContact C-N 3.3Å; D81-R83 PolarHBondContact O-N 3.22Å; R83-N87 WeakPolarHBondContact O-CB 3.46Å; R83-N87 VanDerWaalsContact O-CG 3.28Å; R83-N87 PolarHBondContact O-N 3.06Å; R83-N87 VanDerWaalsContact O-N 3.09Å; R83-N87 PolarHBondContact O-ND2 2.99Å
84I97.6Very high97.6Very high80 Ų8051.2 Ų51.241%0.4126%0.256SS..Hα-helixtrans-66.3-47.2178.1-62.8171.9000110.2D81 A82 N87 R88 F129D81-I84 PolarHBondContact O-N 3.35Å; D81-I84 VanDerWaalsContact O-N 3.16Å; A82-I84 VanDerWaalsContact C-N 3.28Å; A82-I84 PolarHBondContact O-N 3.13Å; I84-N87 PolarHBondContact O-N 2.83Å; I84-R88 WeakPolarHBondContact O-CG 3.44Å; I84-R88 PolarHBondContact O-N 2.82Å; I84-F129 HydrophobicContact CB-CE1 4.24Å; I84-F129 HydrophobicContact CG2-CE1 4.07Å; I84-F129 HydrophobicContact CG2-CZ 4.22Å
85V98.3Very high97.6Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-62.9-44.9-179.9174.50000111.3M73 D81 A82 N87 R88 A89 I113 L116 F129 I131M73-V85 HydrophobicContact CE-CG1 4.04Å; D81-V85 PolarHBondContact O-N 3.27Å; A82-V85 PolarHBondContact O-N 2.72Å; V85-N87 PolarHBondContact O-N 2.95Å; V85-R88 PolarHBondContact O-N 2.7Å; V85-A89 WeakPolarHBondContact O-CB 3.48Å; V85-A89 PolarHBondContact O-N 2.82Å; V85-I113 HydrophobicContact CG1-CG1 4.29Å; V85-I113 HydrophobicContact CG1-CG2 3.72Å; V85-L116 HydrophobicContact CG2-CD2 4.48Å; V85-F129 HydrophobicContact CG2-CD1 3.83Å; V85-F129 HydrophobicContact CG2-CD2 4.26Å; V85-F129 HydrophobicContact CG2-CE1 3.86Å; V85-F129 HydrophobicContact CG2-CE2 4.28Å; V85-F129 HydrophobicContact CG2-CG 4.02Å; V85-F129 HydrophobicContact CG2-CZ 4.09Å; V85-I131 HydrophobicContact CB-CD1 3.97Å; V85-I131 HydrophobicContact CG1-CD1 4.33Å; V85-I131 HydrophobicContact CG2-CD1 3.78Å
86I98.3Very high97.6Very high7 Ų755 Ų554%0.03628%0.28CS..Hα-helixtrans-60.5-46.3178.3-70160.6000111C65 L67 M73 F75 A82 R88 A89 R90C65-I86 HydrophobicContact CB-CD1 3.98Å; C65-I86 HydrophobicContact CB-CG1 4.46Å; C65-I86 HydrophobicContact CB-CG2 4.26Å; L67-I86 HydrophobicContact CD2-CB 4.47Å; L67-I86 HydrophobicContact CD2-CG1 4.49Å; L67-I86 HydrophobicContact CD2-CG2 4.04Å; M73-I86 HydrophobicContact CE-CG1 4.26Å; M73-I86 HydrophobicContact SD-CG1 3.71Å; F75-I86 HydrophobicContact CD1-CD1 4.12Å; F75-I86 HydrophobicContact CE1-CD1 4.04Å; A82-I86 HydrophobicContact CB-CD1 4.33Å; A82-I86 WeakPolarHBondContact O-CB 3.46Å; A82-I86 WeakPolarHBondContact O-CD1 3.46Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 2.63Å; I86-R88 PolarHBondContact O-N 3.27Å; I86-A89 PolarHBondContact O-N 3.15Å; I86-R90 WeakPolarHBondContact O-CG 3.45Å; I86-R90 PolarHBondContact O-N 3.05Å
87N98.3Very high97.6Very high82 Ų8258.5 Ų58.544%0.43929%0.293SS..Hα-helixtrans-65.3-40.7-180-74.5-13.1000112R83 I84 V85 R90 V91R83-N87 WeakPolarHBondContact O-CB 3.46Å; R83-N87 VanDerWaalsContact O-CG 3.28Å; R83-N87 PolarHBondContact O-N 3.06Å; R83-N87 VanDerWaalsContact O-N 3.09Å; R83-N87 PolarHBondContact O-ND2 2.99Å; I84-N87 PolarHBondContact O-N 2.83Å; V85-N87 PolarHBondContact O-N 2.95Å; N87-R90 PolarHBondContact O-N 3.42Å; N87-V91 WeakPolarHBondContact O-CG2 3.21Å; N87-V91 PolarHBondContact O-N 3.33Å
88R98.4Very high97.7Very high136 Ų13665 Ų6551%0.51332%0.324SS..Hα-helixtrans-63.1-43.4174.7-72.6-72.6-174.5164.4-0.8111.6I84 V85 I86 V91 E92 Y112 L116I84-R88 WeakPolarHBondContact O-CG 3.44Å; I84-R88 PolarHBondContact O-N 2.82Å; V85-R88 PolarHBondContact O-N 2.7Å; I86-R88 PolarHBondContact O-N 3.27Å; R88-V91 PolarHBondContact O-N 3.02Å; R88-E92 PolarHBondContact O-N 2.75Å; R88-Y112 HydrophobicContact CB-CE1 4.45Å; R88-L116 HydrophobicContact CB-CD2 3.83Å; R88-L116 HydrophobicContact CG-CD2 4.14Å
89A98.6Very high97.7Very high0 Ų066.3 Ų66.30%034%0.336CS..Hα-helixtrans-63-41.5177.300000112.3L67 V85 I86 V91 E92 C93 I109 I113L67-A89 HydrophobicContact CD1-CB 4.08Å; L67-A89 HydrophobicContact CD2-CB 3.99Å; V85-A89 WeakPolarHBondContact O-CB 3.48Å; V85-A89 PolarHBondContact O-N 2.82Å; I86-A89 PolarHBondContact O-N 3.15Å; A89-V91 PolarHBondContact O-N 2.84Å; A89-E92 WeakPolarHBondContact O-CB 3.47Å; A89-E92 PolarHBondContact O-N 3.28Å; A89-C93 PolarHBondContact O-N 2.77Å; A89-C93 PolarHBondContact O-SG 3.22Å; A89-I109 HydrophobicContact CB-CD1 4.04Å; A89-I109 HydrophobicContact CB-CG1 4.4Å; A89-I113 HydrophobicContact CB-CD1 3.93Å; A89-I113 HydrophobicContact CB-CG1 4Å
90R98.6Very high97.8Very high99 Ų9965.7 Ų65.737%0.37433%0.332SS..Hα-helixtrans-60.9-44.3175.8-76.6173.6174.9163.3-2.8112.9A66 L67 I86 N87 E92 C93 Q94A66-R90 VanDerWaalsContact O-CZ 3.29Å; A66-R90 PolarHBondContact O-NE 3.34Å; A66-R90 PolarHBondContact O-NH2 3.16Å; L67-R90 HydrophobicContact CD2-CG 4.47Å; I86-R90 WeakPolarHBondContact O-CG 3.45Å; I86-R90 PolarHBondContact O-N 3.05Å; N87-R90 PolarHBondContact O-N 3.42Å; R90-E92 VanDerWaalsContact C-N 3.29Å; R90-E92 PolarHBondContact O-N 2.91Å; R90-C93 PolarHBondContact O-N 2.89Å; R90-Q94 PolarHBondContact O-N 2.89Å
91V98.5Very high97.9Very high101 Ų10170.4 Ų70.461%0.61234%0.342SS*.Hα-helixtrans-61.8-42.2176172.90000110.4N87 R88 A89 Q94 S95N87-V91 WeakPolarHBondContact O-CG2 3.21Å; N87-V91 PolarHBondContact O-N 3.33Å; R88-V91 PolarHBondContact O-N 3.02Å; A89-V91 PolarHBondContact O-N 2.84Å; V91-Q94 PolarHBondContact O-N 3.31Å; V91-S95 WeakPolarHBondContact O-CB 3.45Å; V91-S95 PolarHBondContact O-N 3.28Å
92E98.6Very high97.8Very high29 Ų2975 Ų7514%0.13637%0.366CS..Hα-helixtrans-61.3-43.5176.4-175.963.1-158.200112.5R88 A89 R90 Q94 S95 H96 Y108 I109 Y112R88-E92 PolarHBondContact O-N 2.75Å; A89-E92 WeakPolarHBondContact O-CB 3.47Å; A89-E92 PolarHBondContact O-N 3.28Å; R90-E92 VanDerWaalsContact C-N 3.29Å; R90-E92 PolarHBondContact O-N 2.91Å; E92-Q94 VanDerWaalsContact C-N 3.27Å; E92-Q94 PolarHBondContact O-N 3.29Å; E92-S95 PolarHBondContact O-N 2.92Å; E92-H96 WeakPolarHBondContact O-CB 3.47Å; E92-H96 PolarHBondContact O-N 3.33Å; E92-Y108 HydrophobicContact CG-CE1 4.04Å; E92-Y108 WeakPolarHBondContact OE1-CE1 3.37Å; E92-Y108 PolarHBondContact OE1-OH 2.81Å; E92-I109 HydrophobicContact CB-CD1 4.02Å; E92-I109 HydrophobicContact CG-CD1 3.99Å; E92-Y112 HydrophobicContact CB-CD1 3.97Å; E92-Y112 HydrophobicContact CB-CD2 4.32Å; E92-Y112 HydrophobicContact CB-CE1 3.72Å; E92-Y112 HydrophobicContact CB-CE2 4.06Å; E92-Y112 HydrophobicContact CB-CG 4.26Å; E92-Y112 VanDerWaalsContact CD-CD2 3.5Å; E92-Y112 VanDerWaalsContact CD-CE2 3.41Å; E92-Y112 HydrophobicContact CG-CD1 3.86Å; E92-Y112 HydrophobicContact CG-CD2 3.57Å; E92-Y112 HydrophobicContact CG-CE1 4.02Å; E92-Y112 HydrophobicContact CG-CE2 3.69Å; E92-Y112 HydrophobicContact CG-CG 3.64Å; E92-Y112 WeakPolarHBondContact OE2-CE2 3.45Å
93C98.1Very high97.6Very high0 Ų078 Ų780%039%0.386CS..Hα-helixtrans-55.2-44.4176.5-64.40000111.9D68 A89 R90 R97 V104D68-C93 HydrophobicContact CB-CB 4.36Å; A89-C93 PolarHBondContact O-N 2.77Å; A89-C93 PolarHBondContact O-SG 3.22Å; R90-C93 PolarHBondContact O-N 2.89Å; C93-R97 PolarHBondContact O-N 2.84Å; C93-R97 VanDerWaalsContact O-N 3.16Å; C93-V104 HydrophobicContact CB-CG1 4.41Å; C93-V104 HydrophobicContact CB-CG2 4.24Å
94Q98.1Very high97.6Very high95 Ų9569.3 Ų69.344%0.44435%0.353SS..Hα-helixtrans-74-36.9179.7-58.5-51.4-53.200112.3R90 V91 E92 H96 R97 L98R90-Q94 PolarHBondContact O-N 2.89Å; V91-Q94 PolarHBondContact O-N 3.31Å; E92-Q94 VanDerWaalsContact C-N 3.27Å; E92-Q94 PolarHBondContact O-N 3.29Å; Q94-H96 VanDerWaalsContact C-N 3.35Å; Q94-R97 PolarHBondContact O-N 2.66Å; Q94-L98 WeakPolarHBondContact O-CB 3.32Å; Q94-L98 PolarHBondContact O-N 2.75Å
95S98.4Very high97.6Very high55 Ų5568 Ų6839%0.38535%0.349SS..Hα-helixtrans-63-42175.8-168.60000111.9V91 E92 L98 T99V91-S95 WeakPolarHBondContact O-CB 3.45Å; V91-S95 PolarHBondContact O-N 3.28Å; E92-S95 PolarHBondContact O-N 2.92Å; S95-L98 PolarHBondContact O-N 3.47Å; S95-T99 PolarHBondContact O-N 3.17Å; S95-T99 VanDerWaalsContact O-N 3.15Å; S95-T99 PolarHBondContact O-OG1 3.22Å
96H98.2Very high97.6Very high28 Ų2868 Ų6813%0.1335%0.349CS..Hα-helixtrans-61.4-48.9174.4-178.1-79.7000110.7E92 Q94 L98 T99 V100 D102 V104 Y108E92-H96 WeakPolarHBondContact O-CB 3.47Å; E92-H96 PolarHBondContact O-N 3.33Å; Q94-H96 VanDerWaalsContact C-N 3.35Å; H96-L98 VanDerWaalsContact C-N 3.29Å; H96-L98 PolarHBondContact O-N 3.38Å; H96-T99 PolarHBondContact O-N 3.48Å; H96-V100 WeakPolarHBondContact O-CB 3.21Å; H96-V100 PolarHBondContact O-N 3.2Å; H96-D102 PolarHBondContact ND1-O 3.23Å; H96-V104 HydrophobicContact CB-CG1 3.5Å; H96-Y108 HydrophobicContact CB-CE1 4.27Å; H96-Y108 AromaticContact CD2-CD1 3.99Å; H96-Y108 AromaticContact CD2-CE1 3.64Å; H96-Y108 AromaticContact CD2-CE2 3.97Å; H96-Y108 AromaticContact CD2-CZ 3.64Å
97R96.9Very high97.6Very high74 Ų7471.4 Ų71.428%0.27937%0.365SS..Hα-helixtrans-58.9-39.7178.1-168.5-179.8-56.9-166.21.8112.5D68 E69 C93 Q94 T99 E101 D102D68-R97 IonicContact OD1-CZ 3.69Å; D68-R97 IonicContact OD1-NH2 3.82Å; D68-R97 PolarHBondContact OD1-NH2 3.1Å; D68-R97 IonicContact OD2-CZ 2.88Å; D68-R97 IonicContact OD2-NH2 3.84Å; D68-R97 PolarHBondContact OD2-NH2 3.26Å; E69-R97 IonicContact OE1-NH1 3.71Å; C93-R97 PolarHBondContact O-N 2.84Å; C93-R97 VanDerWaalsContact O-N 3.16Å; Q94-R97 PolarHBondContact O-N 2.66Å; R97-T99 VanDerWaalsContact C-N 3.29Å; R97-T99 PolarHBondContact O-N 3.29Å; R97-E101 WeakPolarHBondContact O-CA 3.38Å; R97-E101 PolarHBondContact O-N 2.86Å; R97-D102 WeakPolarHBondContact CA-O 3.3Å
98L98Very high97.6Very high148 Ų14870.3 Ų70.378%0.77536%0.355SS*.Hα-helixtrans-65.2-33.1176.3-179.463.5000112.7Q94 S95 H96Q94-L98 WeakPolarHBondContact O-CB 3.32Å; Q94-L98 PolarHBondContact O-N 2.75Å; S95-L98 PolarHBondContact O-N 3.47Å; H96-L98 VanDerWaalsContact C-N 3.29Å; H96-L98 PolarHBondContact O-N 3.38Å
99T97.9Very high97.7Very high109 Ų10963.9 Ų63.967%0.66933%0.331SS*.Hα-helixtrans-91.4-40-172.6-52.10000112.6S95 H96 R97S95-T99 PolarHBondContact O-N 3.17Å; S95-T99 VanDerWaalsContact O-N 3.15Å; S95-T99 PolarHBondContact O-OG1 3.22Å; H96-T99 PolarHBondContact O-N 3.48Å; R97-T99 VanDerWaalsContact C-N 3.29Å; R97-T99 PolarHBondContact O-N 3.29Å
100V96.8Very high97.7Very high73 Ų7363.9 Ų63.944%0.44233%0.331SS..Hα-helixtrans-103.9-11.1-172.1-171.80000111.2H96 D102H96-V100 WeakPolarHBondContact O-CB 3.21Å; H96-V100 PolarHBondContact O-N 3.2Å; V100-D102 HydrophobicContact CG1-CB 4.25Å; V100-D102 PolarHBondContact O-N 2.85Å
101E96.6Very high97.7Very high173 Ų17364.6 Ų64.681%0.80833%0.333SS*.SBendtrans62.2-1-173.4-57-171.215400114.9R97R97-E101 WeakPolarHBondContact O-CA 3.38Å; R97-E101 PolarHBondContact O-N 2.86Å
102D94.9Very high97.7Very high101 Ų10162.7 Ų62.754%0.5432%0.315SS..SBendtrans-107.8148.7175.8-74.5-42000112.9H96 R97 V100H96-D102 PolarHBondContact ND1-O 3.23Å; R97-D102 WeakPolarHBondContact CA-O 3.3Å; V100-D102 HydrophobicContact CG1-CB 4.25Å; V100-D102 PolarHBondContact O-N 2.85Å
103P94.9Very high97.7Very high64 Ų6461.3 Ų61.342%0.41631%0.309SS..PPolyproline II helixtrans-62.115316928.3-34.1000111.3
104V97Very high97.7Very high2 Ų261.4 Ų61.41%0.01231%0.31CS..PPolyproline II helixtrans-63.9143.3178.5-69.50000111.9H70 V71 C93 H96 Y108 I109H70-V104 PolarHBondContact NE2-O 2.86Å; V71-V104 HydrophobicContact CG2-CG2 4.29Å; C93-V104 HydrophobicContact CB-CG1 4.41Å; C93-V104 HydrophobicContact CB-CG2 4.24Å; H96-V104 HydrophobicContact CB-CG1 3.5Å; V104-Y108 HydrophobicContact CB-CD1 4.14Å; V104-Y108 HydrophobicContact CG1-CD1 3.77Å; V104-Y108 HydrophobicContact CG1-CE1 4.09Å; V104-I109 HydrophobicContact CB-CB 4.5Å; V104-I109 HydrophobicContact CG2-CB 4.27Å; V104-I109 HydrophobicContact CG2-CG2 4.47Å
105T97.6Very high97.7Very high53 Ų5359.6 Ų59.633%0.32531%0.305SS..PPolyproline II helixtrans-74153.4162.566.60000110.3E107 Y108 I109 D139T105-E107 PolarHBondContact O-N 2.92Å; T105-Y108 PolarHBondContact O-N 2.96Å; T105-Y108 VanDerWaalsContact OG1-CB 3.23Å; T105-Y108 WeakPolarHBondContact OG1-CB 3.27Å; T105-Y108 PolarHBondContact OG1-N 2.94Å; T105-Y108 VanDerWaalsContact OG1-N 3.15Å; T105-I109 PolarHBondContact O-N 2.9Å; T105-D139 VanDerWaalsContact CA-OD1 3.3Å; T105-D139 WeakPolarHBondContact CA-OD1 3.49Å; T105-D139 WeakPolarHBondContact CB-OD1 3.5Å
106V98.1Very high97.7Very high0 Ų058 Ų580%029%0.292CS..Hα-helixtrans-63.3-35179.7-173.10000110.7V71 I109 T110 I135 D139 R145 Y147V71-V106 HydrophobicContact CG2-CG2 4.34Å; V106-I109 WeakPolarHBondContact O-CG2 3.07Å; V106-T110 VanDerWaalsContact O-CB 3.28Å; V106-T110 WeakPolarHBondContact O-CB 3.26Å; V106-T110 PolarHBondContact O-N 2.85Å; V106-T110 VanDerWaalsContact O-N 3.12Å; V106-T110 PolarHBondContact O-OG1 3.47Å; V106-I135 HydrophobicContact CG1-CG2 3.93Å; V106-D139 PolarHBondContact N-OD1 2.87Å; V106-R145 HydrophobicContact CB-CB 3.74Å; V106-R145 HydrophobicContact CB-CG 4.09Å; V106-R145 HydrophobicContact CG1-CB 3.85Å; V106-R145 HydrophobicContact CG2-CB 3.96Å; V106-R145 HydrophobicContact CG2-CG 4.21Å; V106-Y147 HydrophobicContact CG1-CD2 3.95Å; V106-Y147 HydrophobicContact CG1-CE2 4.47Å
107E98.3Very high97.7Very high77 Ų7756.6 Ų56.636%0.3629%0.286SS..Hα-helixtrans-66.3-44.4175-173.4176.8174.400112T105 I109 T110 R111 Y147 Y155T105-E107 PolarHBondContact O-N 2.92Å; E107-I109 PolarHBondContact O-N 3.47Å; E107-T110 WeakPolarHBondContact O-CB 3.15Å; E107-T110 PolarHBondContact O-N 3.3Å; E107-R111 WeakPolarHBondContact O-CB 3.23Å; E107-R111 PolarHBondContact O-N 3.47Å; E107-Y147 HydrophobicContact CB-CE2 4.11Å; E107-Y147 HydrophobicContact CG-CE1 4.24Å; E107-Y147 PolarHBondContact OE2-OH 3.25Å; E107-Y155 HydrophobicContact CG-CE2 4.24Å; E107-Y155 PolarHBondContact OE1-OH 3.45Å
108Y98.4Very high97.7Very high60 Ų6056.5 Ų56.524%0.23529%0.289CS..Hα-helixtrans-56.5-52.7-179.6174.1-90.3000111.3E92 H96 V104 T105 T110 R111 Y112E92-Y108 HydrophobicContact CG-CE1 4.04Å; E92-Y108 WeakPolarHBondContact OE1-CE1 3.37Å; E92-Y108 PolarHBondContact OE1-OH 2.81Å; H96-Y108 HydrophobicContact CB-CE1 4.27Å; H96-Y108 AromaticContact CD2-CD1 3.99Å; H96-Y108 AromaticContact CD2-CE1 3.64Å; H96-Y108 AromaticContact CD2-CE2 3.97Å; H96-Y108 AromaticContact CD2-CZ 3.64Å; V104-Y108 HydrophobicContact CB-CD1 4.14Å; V104-Y108 HydrophobicContact CG1-CD1 3.77Å; V104-Y108 HydrophobicContact CG1-CE1 4.09Å; T105-Y108 PolarHBondContact O-N 2.96Å; T105-Y108 VanDerWaalsContact OG1-CB 3.23Å; T105-Y108 WeakPolarHBondContact OG1-CB 3.27Å; T105-Y108 PolarHBondContact OG1-N 2.94Å; T105-Y108 VanDerWaalsContact OG1-N 3.15Å; Y108-T110 VanDerWaalsContact C-N 3.31Å; Y108-T110 PolarHBondContact O-N 2.85Å; Y108-R111 PolarHBondContact O-N 3.36Å; Y108-Y112 PolarHBondContact O-N 3.47Å
109I98.6Very high97.6Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-68.4-33.1-177.7-168.960.8000111.8L67 V71 A89 E92 V104 T105 V106 E107 Y112 I113 I135L67-I109 HydrophobicContact CD1-CG1 4.21Å; V71-I109 HydrophobicContact CG1-CG2 4.09Å; A89-I109 HydrophobicContact CB-CD1 4.04Å; A89-I109 HydrophobicContact CB-CG1 4.4Å; E92-I109 HydrophobicContact CB-CD1 4.02Å; E92-I109 HydrophobicContact CG-CD1 3.99Å; V104-I109 HydrophobicContact CB-CB 4.5Å; V104-I109 HydrophobicContact CG2-CB 4.27Å; V104-I109 HydrophobicContact CG2-CG2 4.47Å; T105-I109 PolarHBondContact O-N 2.9Å; V106-I109 WeakPolarHBondContact O-CG2 3.07Å; E107-I109 PolarHBondContact O-N 3.47Å; I109-Y112 HydrophobicContact CD1-CD1 4.27Å; I109-Y112 PolarHBondContact O-N 2.83Å; I109-I113 HydrophobicContact CG1-CD1 4.33Å; I109-I113 VanDerWaalsContact O-CG1 3.3Å; I109-I113 WeakPolarHBondContact O-CG1 3.32Å; I109-I113 PolarHBondContact O-N 2.84Å; I109-I135 HydrophobicContact CG2-CG2 4.38Å
110T98.7Very high97.5Very high0 Ų054.1 Ų54.10%026%0.258CS..Hα-helixtrans-61.2-48.3172.3-64.10000111V106 E107 Y108 Y112 I113 A114 I135 Y147 T149 Y155V106-T110 VanDerWaalsContact O-CB 3.28Å; V106-T110 WeakPolarHBondContact O-CB 3.26Å; V106-T110 PolarHBondContact O-N 2.85Å; V106-T110 VanDerWaalsContact O-N 3.12Å; V106-T110 PolarHBondContact O-OG1 3.47Å; E107-T110 WeakPolarHBondContact O-CB 3.15Å; E107-T110 PolarHBondContact O-N 3.3Å; Y108-T110 VanDerWaalsContact C-N 3.31Å; Y108-T110 PolarHBondContact O-N 2.85Å; T110-Y112 VanDerWaalsContact C-N 3.34Å; T110-Y112 PolarHBondContact O-N 3.08Å; T110-I113 PolarHBondContact O-N 2.85Å; T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 3.12Å; T110-I135 HydrophobicContact CG2-CD1 4.35Å; T110-Y147 HydrophobicContact CG2-CD1 4.02Å; T110-Y147 HydrophobicContact CG2-CG 3.92Å; T110-T149 HydrophobicContact CG2-CG2 3.7Å; T110-Y155 HydrophobicContact CG2-CD2 3.57Å; T110-Y155 HydrophobicContact CG2-CE2 4.37Å; T110-Y155 HydrophobicContact CG2-CG 3.73Å
111R98.7Very high97.3Very high115 Ų11551.3 Ų51.343%0.43424%0.241SC..Hα-helixtrans-61.2-43177.8-179.8174.559.1-159.5-2.8111.2E107 Y108 I113 A114 T115 Y155E107-R111 WeakPolarHBondContact O-CB 3.23Å; E107-R111 PolarHBondContact O-N 3.47Å; Y108-R111 PolarHBondContact O-N 3.36Å; R111-I113 PolarHBondContact O-N 2.94Å; R111-A114 WeakPolarHBondContact O-CB 3.42Å; R111-A114 PolarHBondContact O-N 3.43Å; R111-T115 WeakPolarHBondContact O-CB 3.42Å; R111-T115 PolarHBondContact O-N 2.83Å; R111-T115 PolarHBondContact O-OG1 3.07Å; R111-T115 VanDerWaalsContact O-OG1 3.06Å; R111-Y155 HydrophobicContact CB-CE1 3.89Å; R111-Y155 HydrophobicContact CG-CE1 3.98Å
112Y98.7Very high97.1Very high60 Ų6049.4 Ų49.424%0.23523%0.231CC..Hα-helixtrans-57.3-48.6174.2174.7-92.5000112.1R88 E92 Y108 I109 T110 A114 T115 L116R88-Y112 HydrophobicContact CB-CE1 4.45Å; E92-Y112 HydrophobicContact CB-CD1 3.97Å; E92-Y112 HydrophobicContact CB-CD2 4.32Å; E92-Y112 HydrophobicContact CB-CE1 3.72Å; E92-Y112 HydrophobicContact CB-CE2 4.06Å; E92-Y112 HydrophobicContact CB-CG 4.26Å; E92-Y112 VanDerWaalsContact CD-CD2 3.5Å; E92-Y112 VanDerWaalsContact CD-CE2 3.41Å; E92-Y112 HydrophobicContact CG-CD1 3.86Å; E92-Y112 HydrophobicContact CG-CD2 3.57Å; E92-Y112 HydrophobicContact CG-CE1 4.02Å; E92-Y112 HydrophobicContact CG-CE2 3.69Å; E92-Y112 HydrophobicContact CG-CG 3.64Å; E92-Y112 WeakPolarHBondContact OE2-CE2 3.45Å; Y108-Y112 PolarHBondContact O-N 3.47Å; I109-Y112 HydrophobicContact CD1-CD1 4.27Å; I109-Y112 PolarHBondContact O-N 2.83Å; T110-Y112 VanDerWaalsContact C-N 3.34Å; T110-Y112 PolarHBondContact O-N 3.08Å; Y112-A114 VanDerWaalsContact C-N 3.32Å; Y112-A114 PolarHBondContact O-N 2.9Å; Y112-T115 PolarHBondContact O-N 2.98Å; Y112-L116 WeakPolarHBondContact O-CB 3.47Å; Y112-L116 PolarHBondContact O-N 3.29Å
113I98.6Very high96.9Very high0 Ų047.1 Ų47.10%022%0.224CC..Hα-helixtrans-61-42.6177.5-69.7165.7000110.8L67 M73 V85 A89 I109 T110 R111 L116 K117 I135 T149L67-I113 HydrophobicContact CD1-CD1 4.08Å; M73-I113 HydrophobicContact SD-CD1 4.48Å; V85-I113 HydrophobicContact CG1-CG1 4.29Å; V85-I113 HydrophobicContact CG1-CG2 3.72Å; A89-I113 HydrophobicContact CB-CD1 3.93Å; A89-I113 HydrophobicContact CB-CG1 4Å; I109-I113 HydrophobicContact CG1-CD1 4.33Å; I109-I113 VanDerWaalsContact O-CG1 3.3Å; I109-I113 WeakPolarHBondContact O-CG1 3.32Å; I109-I113 PolarHBondContact O-N 2.84Å; T110-I113 PolarHBondContact O-N 2.85Å; R111-I113 PolarHBondContact O-N 2.94Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.1Å; I113-K117 WeakPolarHBondContact O-CG 3.46Å; I113-K117 PolarHBondContact O-N 3.4Å; I113-I135 HydrophobicContact CD1-CG1 4.25Å; I113-T149 HydrophobicContact CG2-CG2 4.33Å
114A98.6Very high96.5Very high2 Ų250.4 Ų50.42%0.01724%0.238CC..Hα-helixtrans-62.8-46.4178.500000111.5T110 R111 Y112 L116 K117 Q118 T149 G153 Y155T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 3.12Å; R111-A114 WeakPolarHBondContact O-CB 3.42Å; R111-A114 PolarHBondContact O-N 3.43Å; Y112-A114 VanDerWaalsContact C-N 3.32Å; Y112-A114 PolarHBondContact O-N 2.9Å; A114-L116 VanDerWaalsContact C-N 3.35Å; A114-L116 PolarHBondContact O-N 3.41Å; A114-K117 PolarHBondContact O-N 2.96Å; A114-Q118 PolarHBondContact O-N 3.32Å; A114-T149 HydrophobicContact CB-CG2 4.35Å; A114-G153 WeakPolarHBondContact CB-O 3.31Å; A114-G153 VanDerWaalsContact O-CA 3.23Å; A114-G153 WeakPolarHBondContact O-CA 3.47Å; A114-Y155 HydrophobicContact CB-CD1 3.65Å; A114-Y155 HydrophobicContact CB-CG 4.27Å
115T98.4Very high96.1Very high57 Ų5754.5 Ų54.535%0.3528%0.28SS..Hα-helixtrans-62-40.1174-58.70000112R111 Y112 K117 Q118 R119R111-T115 WeakPolarHBondContact O-CB 3.42Å; R111-T115 PolarHBondContact O-N 2.83Å; R111-T115 PolarHBondContact O-OG1 3.07Å; R111-T115 VanDerWaalsContact O-OG1 3.06Å; Y112-T115 PolarHBondContact O-N 2.98Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.03Å; T115-Q118 PolarHBondContact O-N 3.35Å; T115-R119 HydrophobicContact CG2-CG 4.36Å; T115-R119 WeakPolarHBondContact O-CB 3.24Å; T115-R119 VanDerWaalsContact O-CG 3.32Å; T115-R119 WeakPolarHBondContact O-CG 3.41Å; T115-R119 PolarHBondContact O-N 3.4Å
116L98Very high95.8Very high21 Ų2158.8 Ų58.811%0.1129%0.291CS..Hα-helixtrans-58.9-44.9175175.763.7000111.1V85 R88 Y112 I113 A114 Y120 F129V85-L116 HydrophobicContact CG2-CD2 4.48Å; R88-L116 HydrophobicContact CB-CD2 3.83Å; R88-L116 HydrophobicContact CG-CD2 4.14Å; Y112-L116 WeakPolarHBondContact O-CB 3.47Å; Y112-L116 PolarHBondContact O-N 3.29Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.1Å; A114-L116 VanDerWaalsContact C-N 3.35Å; A114-L116 PolarHBondContact O-N 3.41Å; L116-Y120 HydrophobicContact CD1-CD2 4.24Å; L116-Y120 HydrophobicContact CD1-CE2 3.83Å; L116-Y120 VanDerWaalsContact O-CD2 3.29Å; L116-Y120 WeakPolarHBondContact O-CD2 3.25Å; L116-Y120 PolarHBondContact O-N 3.38Å; L116-F129 HydrophobicContact CG-CE2 4.16Å
117K97.8Very high95.6Very high0 Ų065 Ų650%031%0.314CS..Hα-helixtrans-64.5-47.5175.9-66.7-177.9-171.6-1770112I113 A114 T115 R119 Y120 T121 F129 I131 T149 D150I113-K117 WeakPolarHBondContact O-CG 3.46Å; I113-K117 PolarHBondContact O-N 3.4Å; A114-K117 PolarHBondContact O-N 2.96Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.03Å; K117-R119 VanDerWaalsContact C-N 3.31Å; K117-R119 PolarHBondContact O-N 3.09Å; K117-Y120 WeakPolarHBondContact O-CB 3.33Å; K117-Y120 PolarHBondContact O-N 3.22Å; K117-Y120 VanDerWaalsContact O-N 3.12Å; K117-T121 PolarHBondContact O-N 3.01Å; K117-T121 PolarHBondContact O-OG1 3.49Å; K117-F129 HydrophobicContact CB-CD2 4.43Å; K117-F129 HydrophobicContact CG-CB 4.38Å; K117-F129 HydrophobicContact CG-CD2 4.01Å; K117-I131 PolarHBondContact NZ-O 3.45Å; K117-T149 PolarHBondContact NZ-O 2.95Å; K117-T149 PolarHBondContact NZ-OG1 3.13Å; K117-D150 WeakPolarHBondContact CD-O 3.43Å; K117-D150 PolarHBondContact NZ-O 3.04Å
118Q97.1Very high95.5Very high71 Ų7161.6 Ų61.633%0.33230%0.298SS..Hα-helixtrans-59-41.3179.7-174.6-81.1-18.400111.9A114 T115 Y120 T121 Q122A114-Q118 PolarHBondContact O-N 3.32Å; T115-Q118 PolarHBondContact O-N 3.35Å; Q118-Y120 VanDerWaalsContact C-N 3.29Å; Q118-Y120 PolarHBondContact O-N 2.78Å; Q118-T121 WeakPolarHBondContact O-CA 3.44Å; Q118-T121 VanDerWaalsContact O-CB 3.31Å; Q118-T121 WeakPolarHBondContact O-CB 3.45Å; Q118-T121 PolarHBondContact O-N 3.28Å; Q118-Q122 PolarHBondContact O-N 3.03Å
119R96.2Very high95.5Very high159 Ų15959 Ų5960%0.629%0.288SS*.Hα-helixtrans-60.5-38.5177.4-77178.9-179.6-175.12.4112.3T115 K117 T121 Q122 S123T115-R119 HydrophobicContact CG2-CG 4.36Å; T115-R119 WeakPolarHBondContact O-CB 3.24Å; T115-R119 VanDerWaalsContact O-CG 3.32Å; T115-R119 WeakPolarHBondContact O-CG 3.41Å; T115-R119 PolarHBondContact O-N 3.4Å; K117-R119 VanDerWaalsContact C-N 3.31Å; K117-R119 PolarHBondContact O-N 3.09Å; R119-T121 VanDerWaalsContact C-N 3.25Å; R119-T121 PolarHBondContact O-N 2.96Å; R119-Q122 PolarHBondContact O-N 2.9Å; R119-S123 VanDerWaalsContact O-CB 3.25Å; R119-S123 WeakPolarHBondContact O-CB 3.35Å; R119-S123 PolarHBondContact O-N 3.42Å; R119-S123 PolarHBondContact O-OG 3.48Å
120Y95.1Very high95.4Very high49 Ų4959.1 Ų59.119%0.19229%0.289CS..Hα-helixtrans-68.3-27.6175.1-87.6-115.6000112.3I9 L116 K117 Q118 R126 F129I9-Y120 VanDerWaalsContact CD1-O 3.28Å; I9-Y120 WeakPolarHBondContact CD1-O 3.43Å; L116-Y120 HydrophobicContact CD1-CD2 4.24Å; L116-Y120 HydrophobicContact CD1-CE2 3.83Å; L116-Y120 VanDerWaalsContact O-CD2 3.29Å; L116-Y120 WeakPolarHBondContact O-CD2 3.25Å; L116-Y120 PolarHBondContact O-N 3.38Å; K117-Y120 WeakPolarHBondContact O-CB 3.33Å; K117-Y120 PolarHBondContact O-N 3.22Å; K117-Y120 VanDerWaalsContact O-N 3.12Å; Q118-Y120 VanDerWaalsContact C-N 3.29Å; Q118-Y120 PolarHBondContact O-N 2.78Å; Y120-R126 HydrophobicContact CD1-CB 4.17Å; Y120-R126 HydrophobicContact CD1-CG 4.43Å; Y120-F129 HydrophobicContact CD1-CD2 4.33Å; Y120-F129 AromaticContact CD1-CE2 3.71Å; Y120-F129 HydrophobicContact CD1-CE2 3.71Å; Y120-F129 AromaticContact CD1-CZ 3.88Å; Y120-F129 HydrophobicContact CD1-CZ 3.88Å; Y120-F129 HydrophobicContact CD2-CD2 4.43Å; Y120-F129 AromaticContact CD2-CE2 3.5Å; Y120-F129 HydrophobicContact CD2-CE2 3.5Å; Y120-F129 HydrophobicContact CD2-CZ 4.08Å; Y120-F129 HydrophobicContact CE1-CE1 4.38Å; Y120-F129 AromaticContact CE1-CE2 3.94Å; Y120-F129 HydrophobicContact CE1-CE2 3.94Å; Y120-F129 AromaticContact CE1-CZ 3.65Å; Y120-F129 HydrophobicContact CE1-CZ 3.65Å; Y120-F129 AromaticContact CE2-CE2 3.75Å; Y120-F129 HydrophobicContact CE2-CE2 3.75Å; Y120-F129 AromaticContact CE2-CZ 3.86Å; Y120-F129 HydrophobicContact CE2-CZ 3.86Å; Y120-F129 HydrophobicContact CG-CD2 4.08Å; Y120-F129 AromaticContact CG-CE2 3.47Å; Y120-F129 HydrophobicContact CG-CE2 3.47Å; Y120-F129 VanDerWaalsContact CG-CE2 3.47Å; Y120-F129 HydrophobicContact CG-CZ 4.08Å; Y120-F129 AromaticContact CZ-CE2 3.95Å; Y120-F129 AromaticContact CZ-CZ 3.62Å
121T92.6Very high95.4Very high14 Ų1459.1 Ų59.19%0.08629%0.289CS..Hα-helixtrans-73.6-36.2173.8-53.10000112.5I9 L18 V21 K117 Q118 R119I9-T121 HydrophobicContact CD1-CG2 4.48Å; I9-T121 WeakPolarHBondContact CD1-O 3.4Å; I9-T121 HydrophobicContact CG1-CG2 4.45Å; I9-T121 WeakPolarHBondContact CG1-O 3.5Å; L18-T121 HydrophobicContact CD1-CG2 4.45Å; V21-T121 HydrophobicContact CG2-CG2 3.53Å; K117-T121 PolarHBondContact O-N 3.01Å; K117-T121 PolarHBondContact O-OG1 3.49Å; Q118-T121 WeakPolarHBondContact O-CA 3.44Å; Q118-T121 VanDerWaalsContact O-CB 3.31Å; Q118-T121 WeakPolarHBondContact O-CB 3.45Å; Q118-T121 PolarHBondContact O-N 3.28Å; R119-T121 VanDerWaalsContact C-N 3.25Å; R119-T121 PolarHBondContact O-N 2.96Å
122Q92.6Very high95.4Very high132 Ų13253.8 Ų53.862%0.61727%0.27SS*.Hα-helixtrans-86.7-24.2-177.6-166.7178.323.500113.7T10 Q118 R119T10-Q122 WeakPolarHBondContact CG2-O 3.35Å; Q118-Q122 PolarHBondContact O-N 3.03Å; R119-Q122 PolarHBondContact O-N 2.9Å
123S90.8Very high95.4Very high54 Ų5450.9 Ų50.938%0.37826%0.259SS..SBendtrans-83.1135.2-173-60.40000112.9R119R119-S123 VanDerWaalsContact O-CB 3.25Å; R119-S123 WeakPolarHBondContact O-CB 3.35Å; R119-S123 PolarHBondContact O-N 3.42Å; R119-S123 PolarHBondContact O-OG 3.48Å
124N87.3Confident95.4Very high133 Ų13350.9 Ų50.971%0.71126%0.259SS*.THydrogen-bonded Turntrans-63146.7173-65-32.2000111.8R126N124-R126 PolarHBondContact O-N 2.97Å
125G87.9Confident95.4Very high88 Ų8850.8 Ų50.891%0.90726%0.258SS*.THydrogen-bonded Turntrans70.510.6177.700000114.8
126R91.5Very high95.4Very high143 Ų14348.2 Ų48.254%0.5424%0.242SC..  trans-113.2162.7173.6-58.8-66.4-173.9172.3-0.4109.8Y120 N124Y120-R126 HydrophobicContact CD1-CB 4.17Å; Y120-R126 HydrophobicContact CD1-CG 4.43Å; N124-R126 PolarHBondContact O-N 2.97Å
127R94.1Very high95.4Very high130 Ų13047.2 Ų47.249%0.49124%0.236SC..  trans-116.6152.3167.469167.9-179.475.1-0.8109D81D81-R127 IonicContact OD1-CZ 3.93Å; D81-R127 IonicContact OD1-NH1 3.45Å; D81-R127 PolarHBondContact OD1-NH1 3.28Å; D81-R127 IonicContact OD1-NH2 2.95Å; D81-R127 PolarHBondContact OD1-NH2 2.56Å; D81-R127 IonicContact OD2-CZ 2.67Å; D81-R127 IonicContact OD2-NH1 2.69Å; D81-R127 PolarHBondContact OD2-NH1 3.37Å; D81-R127 IonicContact OD2-NH2 3.95Å; D81-R127 PolarHBondContact OD2-NH2 3.21Å
128P95.6Very high95.3Very high5 Ų547.9 Ų47.93%0.03224%0.239CC..  trans-68155.3177.128.7-25.5000109.7I9 Q20 A24 G130I9-P128 HydrophobicContact CD1-CB 4.3Å; I9-P128 VanDerWaalsContact CD1-CD 3.4Å; I9-P128 HydrophobicContact CD1-CG 4.08Å; Q20-P128 HydrophobicContact CB-CG 4.25Å; Q20-P128 WeakPolarHBondContact O-CG 3.27Å; A24-P128 HydrophobicContact CB-CG 4.14Å; P128-G130 PolarHBondContact O-N 3.15Å
129F97.8Very high95.2Very high6 Ų645.4 Ų45.43%0.02623%0.229CC..  trans-71.2128.2173.9-70.1-79000110D81 I84 V85 L116 K117 Y120 I131 P151D81-F129 HydrophobicContact CB-CD1 3.93Å; I84-F129 HydrophobicContact CB-CE1 4.24Å; I84-F129 HydrophobicContact CG2-CE1 4.07Å; I84-F129 HydrophobicContact CG2-CZ 4.22Å; V85-F129 HydrophobicContact CG2-CD1 3.83Å; V85-F129 HydrophobicContact CG2-CD2 4.26Å; V85-F129 HydrophobicContact CG2-CE1 3.86Å; V85-F129 HydrophobicContact CG2-CE2 4.28Å; V85-F129 HydrophobicContact CG2-CG 4.02Å; V85-F129 HydrophobicContact CG2-CZ 4.09Å; L116-F129 HydrophobicContact CG-CE2 4.16Å; K117-F129 HydrophobicContact CB-CD2 4.43Å; K117-F129 HydrophobicContact CG-CB 4.38Å; K117-F129 HydrophobicContact CG-CD2 4.01Å; Y120-F129 HydrophobicContact CD1-CD2 4.33Å; Y120-F129 AromaticContact CD1-CE2 3.71Å; Y120-F129 HydrophobicContact CD1-CE2 3.71Å; Y120-F129 AromaticContact CD1-CZ 3.88Å; Y120-F129 HydrophobicContact CD1-CZ 3.88Å; Y120-F129 HydrophobicContact CD2-CD2 4.43Å; Y120-F129 AromaticContact CD2-CE2 3.5Å; Y120-F129 HydrophobicContact CD2-CE2 3.5Å; Y120-F129 HydrophobicContact CD2-CZ 4.08Å; Y120-F129 HydrophobicContact CE1-CE1 4.38Å; Y120-F129 AromaticContact CE1-CE2 3.94Å; Y120-F129 HydrophobicContact CE1-CE2 3.94Å; Y120-F129 AromaticContact CE1-CZ 3.65Å; Y120-F129 HydrophobicContact CE1-CZ 3.65Å; Y120-F129 AromaticContact CE2-CE2 3.75Å; Y120-F129 HydrophobicContact CE2-CE2 3.75Å; Y120-F129 AromaticContact CE2-CZ 3.86Å; Y120-F129 HydrophobicContact CE2-CZ 3.86Å; Y120-F129 HydrophobicContact CG-CD2 4.08Å; Y120-F129 AromaticContact CG-CE2 3.47Å; Y120-F129 HydrophobicContact CG-CE2 3.47Å; Y120-F129 VanDerWaalsContact CG-CE2 3.47Å; Y120-F129 HydrophobicContact CG-CZ 4.08Å; Y120-F129 AromaticContact CZ-CE2 3.95Å; Y120-F129 AromaticContact CZ-CZ 3.62Å; F129-I131 HydrophobicContact CB-CG1 4.36Å; F129-I131 PolarHBondContact O-N 3.47Å; F129-P151 WeakPolarHBondContact O-CB 3.36Å
130G97.4Very high94.9Very high2 Ų248.1 Ų48.12%0.02124%0.24CC..  trans-82.944.6179.700000113.3G77 L78 D81 P128G77-G130 VanDerWaalsContact CA-O 3.27Å; G77-G130 WeakPolarHBondContact CA-O 3.41Å; L78-G130 PolarHBondContact N-O 3.19Å; D81-G130 PolarHBondContact OD2-N 3Å; P128-G130 PolarHBondContact O-N 3.15Å
131I98.3Very high94.7Very high0 Ų048.8 Ų48.80%025%0.247CC..EExtended strand (participates in β ladder)trans-137141.4-177.974.1-179.7000112.6M73 A76 L78 D81 A82 V85 K117 F129M73-I131 HydrophobicContact CE-CD1 4.35Å; A76-I131 VanDerWaalsContact O-CA 3.29Å; A76-I131 WeakPolarHBondContact O-CA 3.26Å; L78-I131 VanDerWaalsContact O-CG2 3.28Å; L78-I131 WeakPolarHBondContact O-CG2 3.31Å; D81-I131 HydrophobicContact CB-CG2 3.83Å; A82-I131 HydrophobicContact CB-CD1 4.09Å; A82-I131 HydrophobicContact CB-CG2 4.24Å; V85-I131 HydrophobicContact CB-CD1 3.97Å; V85-I131 HydrophobicContact CG1-CD1 4.33Å; V85-I131 HydrophobicContact CG2-CD1 3.78Å; K117-I131 PolarHBondContact NZ-O 3.45Å; F129-I131 HydrophobicContact CB-CG1 4.36Å; F129-I131 PolarHBondContact O-N 3.47Å
132S98.5Very high94.7Very high3 Ų348.5 Ų48.52%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-104.3150.9156-63.40000108.5V28 F75 A76 T149 D150 P151 I163V28-S132 VanDerWaalsContact CG2-N 3.3Å; F75-S132 WeakPolarHBondContact CA-O 3.45Å; A76-S132 PolarHBondContact N-O 3.23Å; A76-S132 PolarHBondContact O-N 3.3Å; S132-T149 WeakPolarHBondContact CA-O 3.4Å; S132-T149 VanDerWaalsContact CB-O 3.3Å; S132-T149 WeakPolarHBondContact CB-O 3.12Å; S132-D150 PolarHBondContact OG-OD1 3.34Å; S132-P151 WeakPolarHBondContact OG-CD 3.21Å; S132-I163 VanDerWaalsContact O-CD1 3.32Å; S132-I163 WeakPolarHBondContact O-CD1 3.34Å
133A98.6Very high94.8Very high0 Ų044.6 Ų44.60%023%0.232CC..EExtended strand (participates in β ladder)trans-134.2143-179.400000111.3M73 A74 F75 I135 Q148 T149M73-A133 HydrophobicContact CE-CB 3.28Å; M73-A133 HydrophobicContact CG-CB 4.09Å; M73-A133 HydrophobicContact SD-CB 4.39Å; A74-A133 CarbonylContact O-C 3.59Å; A74-A133 VanDerWaalsContact O-CA 3.26Å; A74-A133 WeakPolarHBondContact O-CA 3.22Å; F75-A133 HydrophobicContact CB-CB 4.48Å; A133-I135 HydrophobicContact CB-CD1 4.06Å; A133-Q148 CarbonylContact O-C 3.56Å; A133-Q148 VanDerWaalsContact O-CA 3.26Å; A133-Q148 WeakPolarHBondContact O-CA 3.36Å; A133-T149 PolarHBondContact N-O 2.69Å; A133-T149 PolarHBondContact O-N 3.07Å
134L98.8Very high95.1Very high0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-100.3120.9165-60.4179.2000107.2A34 L45 M73 A74 L146 Y147 Q148 N161 I163A34-L134 HydrophobicContact CB-CD1 4.34Å; L45-L134 HydrophobicContact CD2-CB 3.84Å; L45-L134 HydrophobicContact CD2-CD1 4.2Å; M73-L134 CarbonylContact C-O 3.59Å; M73-L134 VanDerWaalsContact CA-O 3.31Å; M73-L134 WeakPolarHBondContact CA-O 3.46Å; A74-L134 PolarHBondContact N-O 3.27Å; A74-L134 PolarHBondContact O-N 3.12Å; L134-L146 HydrophobicContact CB-CD1 4.26Å; L134-L146 HydrophobicContact CD2-CD1 4.4Å; L134-Y147 CarbonylContact C-O 3.57Å; L134-Y147 WeakPolarHBondContact CA-O 3.47Å; L134-Q148 HydrophobicContact CD2-CB 3.72Å; L134-Q148 HydrophobicContact CD2-CG 3.74Å; L134-N161 HydrophobicContact CD2-CB 4.26Å; L134-I163 HydrophobicContact CD1-CG1 4.22Å; L134-I163 HydrophobicContact CD2-CG2 4.04Å; L134-I163 HydrophobicContact CG-CD1 3.94Å; L134-I163 HydrophobicContact CG-CG1 4.02Å; L134-I163 HydrophobicContact CG-CG2 4.43Å
135I98.7Very high95.6Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-110.4127.4176.9-56.393.4000107.3V71 C72 M73 V106 I109 T110 I113 A133 L146 Y147 T149V71-I135 HydrophobicContact CG1-CG2 3.79Å; C72-I135 WeakPolarHBondContact O-CA 3.39Å; M73-I135 HydrophobicContact CG-CG1 4.31Å; V106-I135 HydrophobicContact CG1-CG2 3.93Å; I109-I135 HydrophobicContact CG2-CG2 4.38Å; T110-I135 HydrophobicContact CG2-CD1 4.35Å; I113-I135 HydrophobicContact CD1-CG1 4.25Å; A133-I135 HydrophobicContact CB-CD1 4.06Å; I135-L146 WeakPolarHBondContact O-CA 3.36Å; I135-Y147 PolarHBondContact N-O 3.42Å; I135-Y147 PolarHBondContact O-N 2.84Å; I135-T149 HydrophobicContact CD1-CG2 3.69Å
136V98.4Very high96.1Very high2 Ų235.3 Ų35.31%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-129.9155.9-179.2-58.30000110.9V43 L45 V71 C72 R145 L146 I213V43-V136 HydrophobicContact CB-CB 4.37Å; V43-V136 HydrophobicContact CG1-CB 3.87Å; V43-V136 HydrophobicContact CG1-CG2 4.06Å; V43-V136 HydrophobicContact CG2-CB 3.56Å; V43-V136 HydrophobicContact CG2-CG1 3.56Å; V43-V136 HydrophobicContact CG2-CG2 4.31Å; L45-V136 HydrophobicContact CD1-CB 4.38Å; L45-V136 HydrophobicContact CD1-CG1 4.16Å; L45-V136 HydrophobicContact CD1-CG2 3.39Å; L45-V136 HydrophobicContact CD2-CG1 3.75Å; L45-V136 HydrophobicContact CD2-CG2 4.48Å; L45-V136 HydrophobicContact CG-CB 4.37Å; L45-V136 HydrophobicContact CG-CG1 3.81Å; L45-V136 HydrophobicContact CG-CG2 3.65Å; V71-V136 WeakPolarHBondContact CA-O 3.33Å; C72-V136 HydrophobicContact CB-CG2 3.95Å; C72-V136 PolarHBondContact N-O 3.48Å; C72-V136 PolarHBondContact O-N 3.42Å; V136-R145 VanDerWaalsContact CA-O 3.27Å; V136-R145 WeakPolarHBondContact CA-O 3.49Å; V136-L146 HydrophobicContact CG1-CB 4.33Å; V136-L146 HydrophobicContact CG1-CD1 3.45Å; V136-L146 VanDerWaalsContact CG1-CD1 3.45Å; V136-L146 HydrophobicContact CG1-CG 4.47Å; V136-I213 HydrophobicContact CG2-CD1 4.02Å
137G97.4Very high96.4Very high0 Ų029.1 Ų29.10%013%0.13CC..EExtended strand (participates in β ladder)trans172.1-170173.400000111.3H70 R145H70-G137 WeakPolarHBondContact O-CA 3.47Å; G137-R145 PolarHBondContact N-O 2.96Å; G137-R145 PolarHBondContact O-N 3.33Å
138F96.9Very high96.6Very high14 Ų1423.4 Ų23.46%0.06111%0.109CC..EExtended strand (participates in β ladder)trans-117.1137170.9-75.5-97.5000108.8D41 V43 H70 G142 P144 I213 R215D41-F138 WeakPolarHBondContact O-CZ 3.34Å; V43-F138 HydrophobicContact CG1-CD2 4.47Å; V43-F138 HydrophobicContact CG1-CE2 3.96Å; H70-F138 PolarHBondContact CD2-O 3.24Å; H70-F138 VanDerWaalsContact CD2-O 3.28Å; H70-F138 PolarHBondContact O-N 3.35Å; F138-G142 VanDerWaalsContact CD1-O 3.27Å; F138-G142 WeakPolarHBondContact CD1-O 3.23Å; F138-P144 HydrophobicContact CD1-CB 4.2Å; F138-P144 HydrophobicContact CE1-CB 3.67Å; F138-P144 HydrophobicContact CE1-CG 4.19Å; F138-P144 HydrophobicContact CE2-CB 4.44Å; F138-P144 HydrophobicContact CZ-CB 3.79Å; F138-I213 HydrophobicContact CD2-CB 4.34Å; F138-I213 HydrophobicContact CD2-CG2 3.62Å; F138-I213 HydrophobicContact CE2-CB 4.11Å; F138-I213 HydrophobicContact CE2-CG2 3.78Å; F138-I213 WeakPolarHBondContact CE2-O 3.39Å; F138-R215 HydrophobicContact CD1-CB 4.27Å; F138-R215 HydrophobicContact CD1-CG 4.4Å; F138-R215 HydrophobicContact CE1-CB 3.89Å; F138-R215 HydrophobicContact CE1-CG 4.43Å; F138-R215 HydrophobicContact CZ-CB 4.35Å
139D94Very high96.8Very high20 Ų2023.1 Ų23.111%0.10711%0.107CC..  trans-81.4175.3165.9-65.8-40.3000110.1T105 V106 D141 G142 T143 R145T105-D139 VanDerWaalsContact CA-OD1 3.3Å; T105-D139 WeakPolarHBondContact CA-OD1 3.49Å; T105-D139 WeakPolarHBondContact CB-OD1 3.5Å; V106-D139 PolarHBondContact N-OD1 2.87Å; D139-D141 WeakPolarHBondContact CB-OD1 3.46Å; D139-D141 PolarHBondContact O-N 3.44Å; D139-D141 VanDerWaalsContact O-N 3.16Å; D139-G142 PolarHBondContact O-N 3.33Å; D139-T143 PolarHBondContact N-O 2.83Å; D139-R145 WeakPolarHBondContact OD2-CG 3.41Å; D139-R145 IonicContact OD2-CZ 2.76Å; D139-R145 IonicContact OD2-NE 2.61Å; D139-R145 PolarHBondContact OD2-NE 3.21Å; D139-R145 IonicContact OD2-NH2 3.4Å
140Y90.3Very high96.7Very high216 Ų21624.5 Ų24.585%0.84711%0.114SC*.THydrogen-bonded Turntrans-58.6-27.7-178.374.6-92.1000113.5G142Y140-G142 PolarHBondContact O-N 3.02Å
141D92.1Very high96.7Very high63 Ų6324.4 Ų24.434%0.33711%0.113SC..THydrogen-bonded Turntrans-72.9-9.8177.665.5-11.2000112.4D139 T143 R145 R215D139-D141 WeakPolarHBondContact CB-OD1 3.46Å; D139-D141 PolarHBondContact O-N 3.44Å; D139-D141 VanDerWaalsContact O-N 3.16Å; D141-T143 VanDerWaalsContact C-N 3.31Å; D141-T143 VanDerWaalsContact OD1-CB 3.26Å; D141-T143 WeakPolarHBondContact OD1-CB 3.38Å; D141-T143 PolarHBondContact OD1-N 2.9Å; D141-T143 PolarHBondContact OD1-OG1 2.83Å; D141-T143 WeakPolarHBondContact OD2-CB 3.41Å; D141-T143 PolarHBondContact OD2-OG1 2.94Å; D141-R145 IonicContact OD2-NH2 3.45Å; D141-R215 PolarHBondContact O-NH2 2.96Å
142G92.3Very high96.5Very high8 Ų826 Ų268%0.08213%0.125CC..  trans79.312.9-174.600000113.6F138 D139 Y140F138-G142 VanDerWaalsContact CD1-O 3.27Å; F138-G142 WeakPolarHBondContact CD1-O 3.23Å; D139-G142 PolarHBondContact O-N 3.33Å; Y140-G142 PolarHBondContact O-N 3.02Å
143T93.8Very high96.4Very high49 Ų4926.5 Ų26.530%0.30113%0.131SC..  trans-77.4124.5174.7-60.30000109.5D139 D141D139-T143 PolarHBondContact N-O 2.83Å; D141-T143 VanDerWaalsContact C-N 3.31Å; D141-T143 VanDerWaalsContact OD1-CB 3.26Å; D141-T143 WeakPolarHBondContact OD1-CB 3.38Å; D141-T143 PolarHBondContact OD1-N 2.9Å; D141-T143 PolarHBondContact OD1-OG1 2.83Å; D141-T143 WeakPolarHBondContact OD2-CB 3.41Å; D141-T143 PolarHBondContact OD2-OG1 2.94Å
144P96.7Very high96.4Very high11 Ų1129.6 Ų29.67%0.07115%0.149CC..EExtended strand (participates in β ladder)trans-70.5137.7173.529.1-33.6000110.3R38 G39 K40 V43 F138R38-P144 WeakPolarHBondContact CD-O 3.43Å; R38-P144 HydrophobicContact CG-CB 3.88Å; R38-P144 HydrophobicContact CG-CG 3.74Å; G39-P144 WeakPolarHBondContact O-CG 3.06Å; K40-P144 WeakPolarHBondContact O-CG 3.27Å; V43-P144 HydrophobicContact CB-CB 4.41Å; F138-P144 HydrophobicContact CD1-CB 4.2Å; F138-P144 HydrophobicContact CE1-CB 3.67Å; F138-P144 HydrophobicContact CE1-CG 4.19Å; F138-P144 HydrophobicContact CE2-CB 4.44Å; F138-P144 HydrophobicContact CZ-CB 3.79Å
145R97.9Very high96.3Very high67 Ų6732.6 Ų32.625%0.25316%0.161SC..EExtended strand (participates in β ladder)trans-121.5141.8179.7-59.5-64.4-175.6-177.4-12.2110.2V106 V136 G137 D139 D141 Y147V106-R145 HydrophobicContact CB-CB 3.74Å; V106-R145 HydrophobicContact CB-CG 4.09Å; V106-R145 HydrophobicContact CG1-CB 3.85Å; V106-R145 HydrophobicContact CG2-CB 3.96Å; V106-R145 HydrophobicContact CG2-CG 4.21Å; V136-R145 VanDerWaalsContact CA-O 3.27Å; V136-R145 WeakPolarHBondContact CA-O 3.49Å; G137-R145 PolarHBondContact N-O 2.96Å; G137-R145 PolarHBondContact O-N 3.33Å; D139-R145 WeakPolarHBondContact OD2-CG 3.41Å; D139-R145 IonicContact OD2-CZ 2.76Å; D139-R145 IonicContact OD2-NE 2.61Å; D139-R145 PolarHBondContact OD2-NE 3.21Å; D139-R145 IonicContact OD2-NH2 3.4Å; D141-R145 IonicContact OD2-NH2 3.45Å; R145-Y147 HydrophobicContact CB-CD2 4.22Å; R145-Y147 HydrophobicContact CB-CE2 3.99Å; R145-Y147 HydrophobicContact CG-CE2 4.38Å
146L98.5Very high96.3Very high2 Ų237.4 Ų37.41%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-135116.8170167.865.1000107.6G36 L134 I135 V136 W158G36-L146 WeakPolarHBondContact O-CD2 3.28Å; L134-L146 HydrophobicContact CB-CD1 4.26Å; L134-L146 HydrophobicContact CD2-CD1 4.4Å; I135-L146 WeakPolarHBondContact O-CA 3.36Å; V136-L146 HydrophobicContact CG1-CB 4.33Å; V136-L146 HydrophobicContact CG1-CD1 3.45Å; V136-L146 VanDerWaalsContact CG1-CD1 3.45Å; V136-L146 HydrophobicContact CG1-CG 4.47Å; L146-W158 HydrophobicContact CD2-CB 4.12Å; L146-W158 HydrophobicContact CG-CB 4.22Å; L146-W158 PolarHBondContact O-N 3.24Å
147Y98.8Very high96.3Very high14 Ų1440.5 Ų40.56%0.05521%0.209CC..EExtended strand (participates in β ladder)trans-118.1153.9174.6-75.4-91.4000110.4V106 E107 T110 L134 I135 R145 Y155 H156 A157V106-Y147 HydrophobicContact CG1-CD2 3.95Å; V106-Y147 HydrophobicContact CG1-CE2 4.47Å; E107-Y147 HydrophobicContact CB-CE2 4.11Å; E107-Y147 HydrophobicContact CG-CE1 4.24Å; E107-Y147 PolarHBondContact OE2-OH 3.25Å; T110-Y147 HydrophobicContact CG2-CD1 4.02Å; T110-Y147 HydrophobicContact CG2-CG 3.92Å; L134-Y147 CarbonylContact C-O 3.57Å; L134-Y147 WeakPolarHBondContact CA-O 3.47Å; I135-Y147 PolarHBondContact N-O 3.42Å; I135-Y147 PolarHBondContact O-N 2.84Å; R145-Y147 HydrophobicContact CB-CD2 4.22Å; R145-Y147 HydrophobicContact CB-CE2 3.99Å; R145-Y147 HydrophobicContact CG-CE2 4.38Å; Y147-Y155 AromaticContact CD1-CD2 3.8Å; Y147-Y155 HydrophobicContact CD1-CD2 3.8Å; Y147-Y155 HydrophobicContact CD1-CE2 4.23Å; Y147-Y155 HydrophobicContact CE1-CD2 4.09Å; Y147-Y155 HydrophobicContact CE1-CE2 4.06Å; Y147-H156 WeakPolarHBondContact CA-O 3.32Å; Y147-A157 HydrophobicContact CD1-CB 4.02Å; Y147-A157 HydrophobicContact CE1-CB 3.65Å
148Q98.6Very high96.4Very high9 Ų944.7 Ų44.74%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-128.1136.8173.4178.2-90.5-40.100109.6A133 L134 D150 Y155 H156 N161 I163A133-Q148 CarbonylContact O-C 3.56Å; A133-Q148 VanDerWaalsContact O-CA 3.26Å; A133-Q148 WeakPolarHBondContact O-CA 3.36Å; L134-Q148 HydrophobicContact CD2-CB 3.72Å; L134-Q148 HydrophobicContact CD2-CG 3.74Å; Q148-D150 PolarHBondContact NE2-OD1 3.41Å; Q148-D150 PolarHBondContact NE2-OD2 3.09Å; Q148-D150 PolarHBondContact OE1-OD2 3.47Å; Q148-Y155 WeakPolarHBondContact O-CA 3.36Å; Q148-Y155 WeakPolarHBondContact O-CB 3.41Å; Q148-H156 PolarHBondContact N-O 3.4Å; Q148-H156 PolarHBondContact O-N 3.35Å; Q148-N161 WeakPolarHBondContact CB-ND2 3.36Å; Q148-N161 WeakPolarHBondContact CG-ND2 3.2Å; Q148-I163 HydrophobicContact CG-CG2 3.95Å
149T98.6Very high96.4Very high0 Ų050.3 Ų50.30%025%0.249CC..EExtended strand (participates in β ladder)trans-117.7144.5175.461.50000110.6T110 I113 A114 K117 S132 A133 I135 T154T110-T149 HydrophobicContact CG2-CG2 3.7Å; I113-T149 HydrophobicContact CG2-CG2 4.33Å; A114-T149 HydrophobicContact CB-CG2 4.35Å; K117-T149 PolarHBondContact NZ-O 2.95Å; K117-T149 PolarHBondContact NZ-OG1 3.13Å; S132-T149 WeakPolarHBondContact CA-O 3.4Å; S132-T149 VanDerWaalsContact CB-O 3.3Å; S132-T149 WeakPolarHBondContact CB-O 3.12Å; A133-T149 PolarHBondContact N-O 2.69Å; A133-T149 PolarHBondContact O-N 3.07Å; I135-T149 HydrophobicContact CD1-CG2 3.69Å; T149-T154 WeakPolarHBondContact CA-O 3.26Å
150D96.7Very high96.6Very high34 Ų3450.1 Ų50.118%0.18225%0.25CS..  trans-111164.5177.5-75.9-56.5000112.9K117 S132 Q148 S152 G153 T154K117-D150 WeakPolarHBondContact CD-O 3.43Å; K117-D150 PolarHBondContact NZ-O 3.04Å; S132-D150 PolarHBondContact OG-OD1 3.34Å; Q148-D150 PolarHBondContact NE2-OD1 3.41Å; Q148-D150 PolarHBondContact NE2-OD2 3.09Å; Q148-D150 PolarHBondContact OE1-OD2 3.47Å; D150-S152 WeakPolarHBondContact CB-OG 3.41Å; D150-S152 PolarHBondContact O-N 3.5Å; D150-G153 PolarHBondContact O-N 2.87Å; D150-T154 PolarHBondContact N-O 2.8Å; D150-T154 VanDerWaalsContact N-O 3.13Å
151P96.7Very high97Very high0 Ų040 Ų400%021%0.211CC..THydrogen-bonded Turntrans-53.9-27.5173-30.937.2000115A24 Q25 V28 F129 S132 G153A24-P151 HydrophobicContact CB-CB 3.63Å; A24-P151 HydrophobicContact CB-CG 4.07Å; Q25-P151 HydrophobicContact CG-CG 4.23Å; V28-P151 HydrophobicContact CG2-CG 3.88Å; F129-P151 WeakPolarHBondContact O-CB 3.36Å; S132-P151 WeakPolarHBondContact OG-CD 3.21Å; P151-G153 PolarHBondContact O-N 2.83Å
152S94.8Very high97.3Very high34 Ų3437 Ų3724%0.23820%0.195CC..THydrogen-bonded Turntrans-63.9-19.9174.850.90000113.3D150 T154D150-S152 WeakPolarHBondContact CB-OG 3.41Å; D150-S152 PolarHBondContact O-N 3.5Å; S152-T154 PolarHBondContact OG-N 2.86Å; S152-T154 PolarHBondContact OG-OG1 2.86Å
153G96.1Very high97.6Very high14 Ų1437 Ų3714%0.14419%0.193CC..SBendtrans80.719.2-17100000113.9A114 D150 P151A114-G153 WeakPolarHBondContact CB-O 3.31Å; A114-G153 VanDerWaalsContact O-CA 3.23Å; A114-G153 WeakPolarHBondContact O-CA 3.47Å; D150-G153 PolarHBondContact O-N 2.87Å; P151-G153 PolarHBondContact O-N 2.83Å
154T97.4Very high97.8Very high64 Ų6435 Ų3539%0.39318%0.182SC..  trans-86.7155.2165.453.20000110.6T149 D150 S152T149-T154 WeakPolarHBondContact CA-O 3.26Å; D150-T154 PolarHBondContact N-O 2.8Å; D150-T154 VanDerWaalsContact N-O 3.13Å; S152-T154 PolarHBondContact OG-N 2.86Å; S152-T154 PolarHBondContact OG-OG1 2.86Å
155Y98.5Very high97.7Very high64 Ų6438.9 Ų38.925%0.25120%0.195SC..EExtended strand (participates in β ladder)trans-144.1148.3174.475.8-87.8000112E107 T110 R111 A114 Y147 Q148E107-Y155 HydrophobicContact CG-CE2 4.24Å; E107-Y155 PolarHBondContact OE1-OH 3.45Å; T110-Y155 HydrophobicContact CG2-CD2 3.57Å; T110-Y155 HydrophobicContact CG2-CE2 4.37Å; T110-Y155 HydrophobicContact CG2-CG 3.73Å; R111-Y155 HydrophobicContact CB-CE1 3.89Å; R111-Y155 HydrophobicContact CG-CE1 3.98Å; A114-Y155 HydrophobicContact CB-CD1 3.65Å; A114-Y155 HydrophobicContact CB-CG 4.27Å; Y147-Y155 AromaticContact CD1-CD2 3.8Å; Y147-Y155 HydrophobicContact CD1-CD2 3.8Å; Y147-Y155 HydrophobicContact CD1-CE2 4.23Å; Y147-Y155 HydrophobicContact CE1-CD2 4.09Å; Y147-Y155 HydrophobicContact CE1-CE2 4.06Å; Q148-Y155 WeakPolarHBondContact O-CA 3.36Å; Q148-Y155 WeakPolarHBondContact O-CB 3.41Å
156H98.5Very high97.6Very high101 Ų10138.7 Ų38.747%0.46820%0.204SC..EExtended strand (participates in β ladder)trans-142151.2179.1-59-69.9000111Y147 Q148 W158Y147-H156 WeakPolarHBondContact CA-O 3.32Å; Q148-H156 PolarHBondContact N-O 3.4Å; Q148-H156 PolarHBondContact O-N 3.35Å; H156-W158 VanDerWaalsContact O-CD1 3.22Å
157A98.4Very high97.5Very high66 Ų6639.2 Ų39.255%0.54521%0.209SC..EExtended strand (participates in β ladder)trans-84.2142.417200000110.6Y147Y147-A157 HydrophobicContact CD1-CB 4.02Å; Y147-A157 HydrophobicContact CE1-CB 3.65Å
158W98.4Very high97.4Very high88 Ų8845.5 Ų45.533%0.33324%0.237SC..  trans-135152.4-177.1-66.586.3000111.9L146 H156 N161L146-W158 HydrophobicContact CD2-CB 4.12Å; L146-W158 HydrophobicContact CG-CB 4.22Å; L146-W158 PolarHBondContact O-N 3.24Å; H156-W158 VanDerWaalsContact O-CD1 3.22Å; W158-N161 HydrophobicContact CB-CB 3.91Å; W158-N161 HydrophobicContact CD2-CB 3.96Å; W158-N161 VanDerWaalsContact CE2-ND2 3.31Å; W158-N161 HydrophobicContact CE3-CB 4.22Å; W158-N161 HydrophobicContact CG-CB 3.8Å; W158-N161 PolarHBondContact NE1-ND2 3.31Å
159K97.8Very high97.3Very high132 Ų13248.4 Ų48.457%0.57426%0.255SS*.SBendtrans-81.1-47.9168.9-65.5-173.1179.4-177.80111.1R38 Y178R38-K159 WeakPolarHBondContact CB-O 3.13Å; R38-K159 PolarHBondContact N-O 2.8Å; K159-Y178 HydrophobicContact CB-CD1 4.48Å; K159-Y178 HydrophobicContact CB-CE1 3.78Å; K159-Y178 HydrophobicContact CB-CE2 4.42Å; K159-Y178 HydrophobicContact CD-CE1 3.98Å; K159-Y178 HydrophobicContact CG-CE1 4.43Å
160A98.3Very high97.2Very high16 Ų1648.4 Ų48.413%0.13226%0.255CS..EExtended strand (participates in β ladder)trans-143150165.800000107.9G36 I37 L174 Y178G36-A160 CarbonylContact O-C 3.51Å; G36-A160 WeakPolarHBondContact O-CA 3.31Å; I37-A160 HydrophobicContact CG1-CB 4.39Å; A160-L174 HydrophobicContact CB-CD1 4.21Å; A160-L174 HydrophobicContact CB-CD2 4.3Å; A160-Y178 HydrophobicContact CB-CD2 3.64Å; A160-Y178 HydrophobicContact CB-CE2 3.9Å; A160-Y178 HydrophobicContact CB-CG 4.39Å
161N98.4Very high97.3Very high3 Ų350.7 Ų50.72%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-154.1159.9176.6-159.77.3000111.4V35 G36 L134 Q148 W158V35-N161 WeakPolarHBondContact CA-O 3.07Å; G36-N161 PolarHBondContact N-O 3.28Å; G36-N161 PolarHBondContact O-N 3.08Å; L134-N161 HydrophobicContact CD2-CB 4.26Å; Q148-N161 WeakPolarHBondContact CB-ND2 3.36Å; Q148-N161 WeakPolarHBondContact CG-ND2 3.2Å; W158-N161 HydrophobicContact CB-CB 3.91Å; W158-N161 HydrophobicContact CD2-CB 3.96Å; W158-N161 VanDerWaalsContact CE2-ND2 3.31Å; W158-N161 HydrophobicContact CE3-CB 4.22Å; W158-N161 HydrophobicContact CG-CB 3.8Å; W158-N161 PolarHBondContact NE1-ND2 3.31Å
162A98.4Very high97.3Very high0 Ų054.6 Ų54.60%028%0.279CS..EExtended strand (participates in β ladder)trans-133.1144.1174.500000111.2A34 V35 A167 V170 R171 L174A34-A162 CarbonylContact O-C 3.55Å; A34-A162 VanDerWaalsContact O-CA 3.23Å; A34-A162 WeakPolarHBondContact O-CA 3.42Å; V35-A162 HydrophobicContact CG2-CB 4.17Å; A162-A167 HydrophobicContact CB-CB 4.35Å; A162-V170 HydrophobicContact CB-CB 3.85Å; A162-V170 HydrophobicContact CB-CG1 3.68Å; A162-R171 PolarHBondContact O-NH2 3.49Å; A162-L174 HydrophobicContact CB-CD1 4.48Å
163I98.3Very high97.5Very high10 Ų1054.4 Ų54.45%0.05127%0.274CS..EExtended strand (participates in β ladder)trans-132166.1174.661.8169.5000110.4T33 A34 A76 S132 L134 Q148T33-I163 CarbonylContact C-O 3.57Å; T33-I163 WeakPolarHBondContact CA-O 3.38Å; A34-I163 HydrophobicContact CB-CD1 4.4Å; A34-I163 HydrophobicContact CB-CG1 3.89Å; A34-I163 PolarHBondContact N-O 3.45Å; A34-I163 PolarHBondContact O-N 2.79Å; A76-I163 HydrophobicContact CB-CB 4.41Å; A76-I163 HydrophobicContact CB-CD1 3.84Å; A76-I163 HydrophobicContact CB-CG1 3.92Å; S132-I163 VanDerWaalsContact O-CD1 3.32Å; S132-I163 WeakPolarHBondContact O-CD1 3.34Å; L134-I163 HydrophobicContact CD1-CG1 4.22Å; L134-I163 HydrophobicContact CD2-CG2 4.04Å; L134-I163 HydrophobicContact CG-CD1 3.94Å; L134-I163 HydrophobicContact CG-CG1 4.02Å; L134-I163 HydrophobicContact CG-CG2 4.43Å; Q148-I163 HydrophobicContact CG-CG2 3.95Å
164G97Very high97.6Very high6 Ų654 Ų546%0.06227%0.269CS..SBendtrans91.6-160-179.600000113.3V28 A167V28-G164 WeakPolarHBondContact O-CA 3.3Å; G164-A167 WeakPolarHBondContact O-CB 3.41Å; G164-A167 PolarHBondContact O-N 2.9Å
165R95.4Very high97.6Very high92 Ų9257.8 Ų57.835%0.34728%0.282SS..THydrogen-bonded Turntrans-61.1144.4178.671.4179.4-176.21640.5111.2K29 G31 T33 E48 A167K29-R165 WeakPolarHBondContact O-CA 3.17Å; K29-R165 WeakPolarHBondContact O-CB 3.42Å; K29-R165 PolarHBondContact O-N 2.84Å; G31-R165 WeakPolarHBondContact O-CB 3.49Å; G31-R165 PolarHBondContact O-N 3.38Å; T33-R165 VanDerWaalsContact OG1-CG 3.29Å; T33-R165 WeakPolarHBondContact OG1-CG 3.49Å; T33-R165 PolarHBondContact OG1-O 3.38Å; E48-R165 VanDerWaalsContact CD-NH2 3.28Å; E48-R165 IonicContact OE1-CZ 3.55Å; E48-R165 IonicContact OE1-NE 2.7Å; E48-R165 PolarHBondContact OE1-NE 2.89Å; E48-R165 IonicContact OE1-NH2 3.49Å; E48-R165 PolarHBondContact OE1-NH2 2.98Å; E48-R165 IonicContact OE2-CZ 2.73Å; E48-R165 IonicContact OE2-NE 3.49Å; E48-R165 PolarHBondContact OE2-NE 3.47Å; E48-R165 IonicContact OE2-NH2 3.57Å; E48-R165 PolarHBondContact OE2-NH2 3.15Å; R165-A167 PolarHBondContact O-N 3.23Å
166S95.3Very high97.5Very high64 Ų6462.5 Ų62.545%0.44830%0.304SS..THydrogen-bonded Turntrans54.119.9177.9-52.10000115.2K168 T169 V170S166-K168 PolarHBondContact O-N 3.08Å; S166-K168 VanDerWaalsContact O-N 3.11Å; S166-T169 PolarHBondContact O-N 2.86Å; S166-T169 VanDerWaalsContact O-N 3.1Å; S166-V170 PolarHBondContact O-N 3.43Å
167A96.4Very high97.4Very high13 Ų1360.7 Ų60.711%0.10730%0.298CS..Hα-helixtrans-58.3-28.5-17900000113.2A162 G164 R165 R171A162-A167 HydrophobicContact CB-CB 4.35Å; G164-A167 WeakPolarHBondContact O-CB 3.41Å; G164-A167 PolarHBondContact O-N 2.9Å; R165-A167 PolarHBondContact O-N 3.23Å; A167-R171 WeakPolarHBondContact O-CB 3.44Å; A167-R171 PolarHBondContact O-N 3.4Å
168K96.5Very high97.3Very high146 Ų14659.9 Ų59.964%0.63528%0.281SS*.Hα-helixtrans-61-52174.8-176-179.4174.5-175.50111.5S166 V170 R171 E172S166-K168 PolarHBondContact O-N 3.08Å; S166-K168 VanDerWaalsContact O-N 3.11Å; K168-V170 VanDerWaalsContact C-N 3.31Å; K168-V170 PolarHBondContact O-N 2.76Å; K168-R171 PolarHBondContact O-N 2.94Å; K168-R171 VanDerWaalsContact O-N 3.15Å; K168-E172 WeakPolarHBondContact CE-OE1 3.46Å; K168-E172 WeakPolarHBondContact O-CG 3.38Å; K168-E172 PolarHBondContact O-N 3.22Å
169T96.8Very high97.2Very high69 Ų6958.5 Ų58.542%0.42328%0.282SS..Hα-helixtrans-59-43.6178.5-50.40000111.4S166 R171 E172 F173S166-T169 PolarHBondContact O-N 2.86Å; S166-T169 VanDerWaalsContact O-N 3.1Å; T169-R171 VanDerWaalsContact C-N 3.34Å; T169-R171 PolarHBondContact O-N 3.02Å; T169-E172 PolarHBondContact O-N 3.33Å; T169-F173 PolarHBondContact O-N 3.46Å
170V97.8Very high97Very high0 Ų057.6 Ų57.60%028%0.284CS..Hα-helixtrans-66.2-37.4178.1-176.80000111.6T33 V35 A162 S166 K168 F173 L174 A196 V200T33-V170 HydrophobicContact CG2-CG2 4.06Å; V35-V170 HydrophobicContact CG2-CG1 3.72Å; A162-V170 HydrophobicContact CB-CB 3.85Å; A162-V170 HydrophobicContact CB-CG1 3.68Å; S166-V170 PolarHBondContact O-N 3.43Å; K168-V170 VanDerWaalsContact C-N 3.31Å; K168-V170 PolarHBondContact O-N 2.76Å; V170-F173 WeakPolarHBondContact O-CB 3.3Å; V170-F173 PolarHBondContact O-N 2.61Å; V170-L174 HydrophobicContact CG1-CD1 4.08Å; V170-L174 HydrophobicContact CG1-CG 4.38Å; V170-L174 VanDerWaalsContact O-CG 3.32Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.48Å; V170-A196 HydrophobicContact CG1-CB 3.98Å; V170-V200 HydrophobicContact CG2-CG2 3.37Å
171R97.6Very high96.6Very high82 Ų8263.4 Ų63.431%0.30931%0.308SS..Hα-helixtrans-65.7-44176.7-165.2179-56.5112.86.6111.7A162 A167 K168 T169 F173 L174 E175A162-R171 PolarHBondContact O-NH2 3.49Å; A167-R171 WeakPolarHBondContact O-CB 3.44Å; A167-R171 PolarHBondContact O-N 3.4Å; K168-R171 PolarHBondContact O-N 2.94Å; K168-R171 VanDerWaalsContact O-N 3.15Å; T169-R171 VanDerWaalsContact C-N 3.34Å; T169-R171 PolarHBondContact O-N 3.02Å; R171-F173 PolarHBondContact O-N 3.39Å; R171-L174 PolarHBondContact O-N 3.41Å; R171-L174 VanDerWaalsContact O-N 3.12Å; R171-E175 WeakPolarHBondContact O-CG 3.42Å; R171-E175 PolarHBondContact O-N 2.86Å
172E97.9Very high96.2Very high83 Ų8364.3 Ų64.339%0.38832%0.316SS..Hα-helixtrans-60.9-34.2174.7-69.9170.8-171.200112.1K168 T169 K176K168-E172 WeakPolarHBondContact CE-OE1 3.46Å; K168-E172 WeakPolarHBondContact O-CG 3.38Å; K168-E172 PolarHBondContact O-N 3.22Å; T169-E172 PolarHBondContact O-N 3.33Å; E172-K176 WeakPolarHBondContact O-CG 3.49Å
173F97.8Very high95.9Very high29 Ų2964.9 Ų64.913%0.12732%0.319CS..Hα-helixtrans-66.7-49170.9173.8-88.7000111.6T169 V170 R171 E175 K176 N177 L192 K195 A196 E199T169-F173 PolarHBondContact O-N 3.46Å; V170-F173 WeakPolarHBondContact O-CB 3.3Å; V170-F173 PolarHBondContact O-N 2.61Å; R171-F173 PolarHBondContact O-N 3.39Å; F173-E175 VanDerWaalsContact C-N 3.33Å; F173-E175 PolarHBondContact O-N 3.24Å; F173-K176 PolarHBondContact O-N 3.47Å; F173-N177 WeakPolarHBondContact CD2-ND2 3.49Å; F173-N177 HydrophobicContact CE1-CB 4.11Å; F173-N177 VanDerWaalsContact CE2-ND2 3.31Å; F173-N177 WeakPolarHBondContact CE2-ND2 3.26Å; F173-N177 HydrophobicContact CZ-CB 4.08Å; F173-N177 PolarHBondContact O-N 3Å; F173-N177 VanDerWaalsContact O-N 3.13Å; F173-N177 PolarHBondContact O-ND2 3.23Å; F173-L192 HydrophobicContact CE1-CD1 4.11Å; F173-K195 HydrophobicContact CE1-CB 4.16Å; F173-K195 HydrophobicContact CZ-CB 3.74Å; F173-A196 HydrophobicContact CD1-CB 3.83Å; F173-A196 HydrophobicContact CE1-CB 3.89Å; F173-E199 HydrophobicContact CB-CG 4.15Å; F173-E199 HydrophobicContact CD1-CG 4.47Å; F173-E199 HydrophobicContact CD2-CG 3.71Å; F173-E199 HydrophobicContact CE2-CG 4.28Å; F173-E199 HydrophobicContact CG-CG 3.84Å
174L97.9Very high95.5Very high6 Ų667 Ų673%0.03134%0.338CS..Hα-helixtrans-62.8-38.7-179.4-71.9168.4000112.1V35 I37 A160 A162 V170 R171 K176 N177 Y178 L192 A196V35-L174 HydrophobicContact CG1-CD1 4.03Å; I37-L174 HydrophobicContact CD1-CD2 3.98Å; I37-L174 HydrophobicContact CG1-CD2 4.43Å; A160-L174 HydrophobicContact CB-CD1 4.21Å; A160-L174 HydrophobicContact CB-CD2 4.3Å; A162-L174 HydrophobicContact CB-CD1 4.48Å; V170-L174 HydrophobicContact CG1-CD1 4.08Å; V170-L174 HydrophobicContact CG1-CG 4.38Å; V170-L174 VanDerWaalsContact O-CG 3.32Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.48Å; R171-L174 PolarHBondContact O-N 3.41Å; R171-L174 VanDerWaalsContact O-N 3.12Å; L174-K176 PolarHBondContact O-N 2.96Å; L174-N177 PolarHBondContact O-N 3.47Å; L174-Y178 WeakPolarHBondContact O-CB 3.36Å; L174-Y178 PolarHBondContact O-N 3.06Å; L174-L192 HydrophobicContact CD2-CG 4.47Å; L174-A196 HydrophobicContact CD2-CB 3.9Å; L174-A196 HydrophobicContact CG-CB 4.31Å
175E97.4Very high95.3Very high143 Ų14367.8 Ų67.867%0.66835%0.346SS*.Hα-helixtrans-58.6-31.9176.2-76.9170.1-170.500112.8R171 F173R171-E175 WeakPolarHBondContact O-CG 3.42Å; R171-E175 PolarHBondContact O-N 2.86Å; F173-E175 VanDerWaalsContact C-N 3.33Å; F173-E175 PolarHBondContact O-N 3.24Å
176K97.2Very high95.2Very high163 Ų16365.9 Ų65.971%0.70934%0.343SS*.Hα-helixtrans-87-27.6179.3-66.5171.9-174.4171.30113.7E172 F173 L174E172-K176 WeakPolarHBondContact O-CG 3.49Å; F173-K176 PolarHBondContact O-N 3.47Å; L174-K176 PolarHBondContact O-N 2.96Å
177N96.6Very high95.2Very high64 Ų6467.4 Ų67.434%0.34235%0.346SS..Hα-helixtrans-114.7-9.3-167.6-65.4-85.5000114F173 L174 T179 A182 L192F173-N177 WeakPolarHBondContact CD2-ND2 3.49Å; F173-N177 HydrophobicContact CE1-CB 4.11Å; F173-N177 VanDerWaalsContact CE2-ND2 3.31Å; F173-N177 WeakPolarHBondContact CE2-ND2 3.26Å; F173-N177 HydrophobicContact CZ-CB 4.08Å; F173-N177 PolarHBondContact O-N 3Å; F173-N177 VanDerWaalsContact O-N 3.13Å; F173-N177 PolarHBondContact O-ND2 3.23Å; L174-N177 PolarHBondContact O-N 3.47Å; N177-T179 PolarHBondContact O-N 2.87Å; N177-A182 VanDerWaalsContact O-CB 3.24Å; N177-A182 WeakPolarHBondContact O-CB 3.32Å; N177-L192 HydrophobicContact CB-CD1 3.73Å
178Y96.9Very high95.1Very high48 Ų4871 Ų7119%0.18836%0.361CS..  trans-78.486.3172.3-170.7-84.6000109.4I37 R38 K159 A160 L174 I183 L192I37-Y178 HydrophobicContact CG2-CD2 4.32Å; I37-Y178 HydrophobicContact CG2-CE2 3.98Å; R38-Y178 PolarHBondContact O-OH 3.45Å; K159-Y178 HydrophobicContact CB-CD1 4.48Å; K159-Y178 HydrophobicContact CB-CE1 3.78Å; K159-Y178 HydrophobicContact CB-CE2 4.42Å; K159-Y178 HydrophobicContact CD-CE1 3.98Å; K159-Y178 HydrophobicContact CG-CE1 4.43Å; A160-Y178 HydrophobicContact CB-CD2 3.64Å; A160-Y178 HydrophobicContact CB-CE2 3.9Å; A160-Y178 HydrophobicContact CB-CG 4.39Å; L174-Y178 WeakPolarHBondContact O-CB 3.36Å; L174-Y178 PolarHBondContact O-N 3.06Å; Y178-I183 HydrophobicContact CD2-CG2 3.92Å; Y178-I183 HydrophobicContact CE1-CD1 3.99Å; Y178-I183 HydrophobicContact CE2-CG2 3.56Å; Y178-L192 HydrophobicContact CD2-CD2 4.05Å
179T96.1Very high95.1Very high59 Ų5964.1 Ų64.136%0.36233%0.33SS..  trans-114.1166.2174.575.40000110.8N177 E181 A182 I183N177-T179 PolarHBondContact O-N 2.87Å; T179-E181 VanDerWaalsContact CB-OE2 3.23Å; T179-E181 WeakPolarHBondContact CB-OE2 3.34Å; T179-E181 PolarHBondContact O-N 2.95Å; T179-E181 PolarHBondContact OG1-OE2 2.86Å; T179-A182 PolarHBondContact O-N 2.89Å; T179-A182 VanDerWaalsContact O-N 3.1Å; T179-A182 PolarHBondContact OG1-N 2.91Å; T179-I183 WeakPolarHBondContact O-CG1 3.36Å; T179-I183 PolarHBondContact O-N 3.25Å
180D92.2Very high95.1Very high114 Ų11461 Ų6161%0.6131%0.311SS*.THydrogen-bonded Turntrans-61.8-30.8-179.8-73.2-31.6000112.4A184D180-A184 WeakPolarHBondContact O-CA 3.2Å; D180-A184 WeakPolarHBondContact O-CB 3.23Å; D180-A184 PolarHBondContact O-N 2.91Å
181E91.3Very high95Very high137 Ų13762.7 Ų62.764%0.6432%0.319SS*.THydrogen-bonded Turntrans-70.6-41.5173.9-56.274.5-160.600111.4T179 I183 A184T179-E181 VanDerWaalsContact CB-OE2 3.23Å; T179-E181 WeakPolarHBondContact CB-OE2 3.34Å; T179-E181 PolarHBondContact O-N 2.95Å; T179-E181 PolarHBondContact OG1-OE2 2.86Å; E181-I183 PolarHBondContact O-N 3.43Å; E181-A184 WeakPolarHBondContact O-CB 3.44Å; E181-A184 PolarHBondContact O-N 3.32Å
182A88.9Confident95Very high22 Ų2259.2 Ų59.218%0.18231%0.306CS..THydrogen-bonded Turntrans-68.4-13.3-179.700000113.4N177 T179 E188 A189 L192N177-A182 VanDerWaalsContact O-CB 3.24Å; N177-A182 WeakPolarHBondContact O-CB 3.32Å; T179-A182 PolarHBondContact O-N 2.89Å; T179-A182 VanDerWaalsContact O-N 3.1Å; T179-A182 PolarHBondContact OG1-N 2.91Å; A182-E188 CarbonylContact O-C 3.53Å; A182-E188 VanDerWaalsContact O-C 3.24Å; A182-E188 WeakPolarHBondContact O-CB 3.29Å; A182-A189 PolarHBondContact O-N 3.01Å; A182-L192 HydrophobicContact CB-CD2 4.13Å
183I93.1Very high95Very high12 Ų1255.2 Ų55.26%0.06229%0.287CS..THydrogen-bonded Turntrans-121.28.6177.270.4172.9000113.4I37 Y178 T179 E181 G185 L192I37-I183 HydrophobicContact CG2-CG2 4.47Å; Y178-I183 HydrophobicContact CD2-CG2 3.92Å; Y178-I183 HydrophobicContact CE1-CD1 3.99Å; Y178-I183 HydrophobicContact CE2-CG2 3.56Å; T179-I183 WeakPolarHBondContact O-CG1 3.36Å; T179-I183 PolarHBondContact O-N 3.25Å; E181-I183 PolarHBondContact O-N 3.43Å; I183-G185 VanDerWaalsContact C-N 3.32Å; I183-G185 PolarHBondContact O-N 2.85Å; I183-L192 HydrophobicContact CG2-CD2 4.36Å
184A90.1Very high94.9Very high56 Ų5653.9 Ų53.946%0.46328%0.281SS..SBendtrans-65.1-38.1-173.700000112.1D180 E181D180-A184 WeakPolarHBondContact O-CA 3.2Å; D180-A184 WeakPolarHBondContact O-CB 3.23Å; D180-A184 PolarHBondContact O-N 2.91Å; E181-A184 WeakPolarHBondContact O-CB 3.44Å; E181-A184 PolarHBondContact O-N 3.32Å
185G92.5Very high94.7Very high22 Ų2255.8 Ų55.823%0.22729%0.29CS..SBendtrans-128.8171.1177.900000113.1I183 E188 A189I183-G185 VanDerWaalsContact C-N 3.32Å; I183-G185 PolarHBondContact O-N 2.85Å; G185-E188 WeakPolarHBondContact CA-OE2 3.45Å; G185-E188 PolarHBondContact N-OE2 3.43Å; G185-E188 PolarHBondContact O-N 3.19Å; G185-A189 PolarHBondContact O-N 2.9Å; G185-A189 VanDerWaalsContact O-N 3.15Å
186D93.9Very high94.7Very high51 Ų5149 Ų4927%0.27326%0.258SS..Hα-helixtrans-63.5-43.6-176.4-73.64.8000112.3I42 A189 I190 R214I42-D186 HydrophobicContact CD1-CB 3.9Å; D186-A189 PolarHBondContact O-N 3.17Å; D186-I190 WeakPolarHBondContact O-CD1 3.28Å; D186-I190 WeakPolarHBondContact O-CG1 3.5Å; D186-I190 PolarHBondContact O-N 3.18Å; D186-I190 VanDerWaalsContact O-N 3.07Å; D186-R214 VanDerWaalsContact OD2-CD 3.28Å; D186-R214 WeakPolarHBondContact OD2-CD 3.39Å; D186-R214 IonicContact OD2-CZ 3.99Å; D186-R214 IonicContact OD2-NE 3.68Å; D186-R214 PolarHBondContact OD2-NE 3.45Å; D186-R214 IonicContact OD2-NH2 2.69Å
187N94.2Very high94.6Very high96 Ų9641.2 Ų41.251%0.51322%0.224SC..Hα-helixtrans-69.3-37.8-177.2-75.1-16000111.1I190 K191N187-I190 PolarHBondContact O-N 2.89Å; N187-K191 WeakPolarHBondContact O-CB 3.5Å; N187-K191 WeakPolarHBondContact O-CG 3.41Å; N187-K191 PolarHBondContact O-N 3.39Å
188E94.9Very high94.4Very high90 Ų9039.6 Ų39.642%0.42122%0.215SC..Hα-helixtrans-63.7-45.7177.1-64.773.2-162.800110.7A182 G185 I190 K191 L192A182-E188 CarbonylContact O-C 3.53Å; A182-E188 VanDerWaalsContact O-C 3.24Å; A182-E188 WeakPolarHBondContact O-CB 3.29Å; G185-E188 WeakPolarHBondContact CA-OE2 3.45Å; G185-E188 PolarHBondContact N-OE2 3.43Å; G185-E188 PolarHBondContact O-N 3.19Å; E188-I190 VanDerWaalsContact C-N 3.34Å; E188-I190 PolarHBondContact O-N 3.34Å; E188-K191 PolarHBondContact O-N 3.15Å; E188-L192 WeakPolarHBondContact O-CB 3.46Å; E188-L192 PolarHBondContact O-N 3.05Å
189A96.6Very high94.2Very high0 Ų041.3 Ų41.30%023%0.225CC..Hα-helixtrans-62.9-39.6176.900000112.2I42 V44 A182 G185 D186 L192 A193I42-A189 HydrophobicContact CG2-CB 3.84Å; V44-A189 HydrophobicContact CG2-CB 4.32Å; A182-A189 PolarHBondContact O-N 3.01Å; G185-A189 PolarHBondContact O-N 2.9Å; G185-A189 VanDerWaalsContact O-N 3.15Å; D186-A189 PolarHBondContact O-N 3.17Å; A189-L192 PolarHBondContact O-N 3.3Å; A189-A193 PolarHBondContact O-N 3.12Å; A189-A193 VanDerWaalsContact O-N 3.12Å
190I96.8Very high94Very high4 Ų439.6 Ų39.62%0.02121%0.214CC..Hα-helixtrans-66.3-45.8174.8-64.8164.1000110.5I42 V44 D186 N187 E188 L192 A193 I194 L210 V212 L222 L230I42-I190 HydrophobicContact CD1-CD1 4.11Å; I42-I190 HydrophobicContact CD1-CG1 4.09Å; V44-I190 HydrophobicContact CG2-CG1 3.95Å; D186-I190 WeakPolarHBondContact O-CD1 3.28Å; D186-I190 WeakPolarHBondContact O-CG1 3.5Å; D186-I190 PolarHBondContact O-N 3.18Å; D186-I190 VanDerWaalsContact O-N 3.07Å; N187-I190 PolarHBondContact O-N 2.89Å; E188-I190 VanDerWaalsContact C-N 3.34Å; E188-I190 PolarHBondContact O-N 3.34Å; I190-L192 VanDerWaalsContact C-N 3.29Å; I190-L192 PolarHBondContact O-N 3.3Å; I190-A193 WeakPolarHBondContact O-CB 3.46Å; I190-A193 PolarHBondContact O-N 3.05Å; I190-A193 VanDerWaalsContact O-N 3.13Å; I190-I194 HydrophobicContact CG2-CD1 4.06Å; I190-I194 WeakPolarHBondContact O-CG1 3.34Å; I190-I194 PolarHBondContact O-N 3Å; I190-L210 HydrophobicContact CG2-CD1 4.35Å; I190-V212 HydrophobicContact CD1-CG1 3.95Å; I190-V212 HydrophobicContact CG1-CG1 3.9Å; I190-L222 HydrophobicContact CG2-CD1 4.2Å; I190-L230 HydrophobicContact CG2-CD1 3.8Å
191K95.8Very high93.8Very high36 Ų3634.6 Ų34.616%0.15719%0.188CC..Hα-helixtrans-60-39.8176.5-77.2-174.5174.8-169.40111.2N187 E188 A193 I194 K195 E233 I234 E237N187-K191 WeakPolarHBondContact O-CB 3.5Å; N187-K191 WeakPolarHBondContact O-CG 3.41Å; N187-K191 PolarHBondContact O-N 3.39Å; E188-K191 PolarHBondContact O-N 3.15Å; K191-A193 VanDerWaalsContact C-N 3.34Å; K191-A193 PolarHBondContact O-N 3.09Å; K191-I194 PolarHBondContact O-N 3.1Å; K191-K195 WeakPolarHBondContact O-CB 3.29Å; K191-K195 VanDerWaalsContact O-CG 3.27Å; K191-K195 WeakPolarHBondContact O-CG 3.29Å; K191-K195 PolarHBondContact O-N 3.33Å; K191-E233 VanDerWaalsContact CE-OE2 3.24Å; K191-E233 WeakPolarHBondContact CE-OE2 3.33Å; K191-E233 IonicContact NZ-OE2 2.79Å; K191-E233 PolarHBondContact NZ-OE2 3.47Å; K191-I234 HydrophobicContact CB-CD1 4.18Å; K191-I234 HydrophobicContact CB-CG1 4.47Å; K191-I234 HydrophobicContact CD-CG1 4.47Å; K191-I234 HydrophobicContact CG-CD1 4.12Å; K191-I234 HydrophobicContact CG-CG1 4.21Å; K191-E237 IonicContact NZ-OE1 3.82Å; K191-E237 PolarHBondContact NZ-OE1 2.92Å
192L96.9Very high93Very high8 Ų837.2 Ų37.24%0.04220%0.2CC..Hα-helixtrans-62.3-40.7175.6-175.262.9000111.7I37 F173 L174 N177 Y178 A182 I183 E188 A189 I190 K195 A196I37-L192 HydrophobicContact CD1-CB 3.87Å; I37-L192 HydrophobicContact CD1-CD2 3.85Å; I37-L192 HydrophobicContact CD1-CG 3.6Å; I37-L192 HydrophobicContact CG2-CD2 4.25Å; F173-L192 HydrophobicContact CE1-CD1 4.11Å; L174-L192 HydrophobicContact CD2-CG 4.47Å; N177-L192 HydrophobicContact CB-CD1 3.73Å; Y178-L192 HydrophobicContact CD2-CD2 4.05Å; A182-L192 HydrophobicContact CB-CD2 4.13Å; I183-L192 HydrophobicContact CG2-CD2 4.36Å; E188-L192 WeakPolarHBondContact O-CB 3.46Å; E188-L192 PolarHBondContact O-N 3.05Å; A189-L192 PolarHBondContact O-N 3.3Å; I190-L192 VanDerWaalsContact C-N 3.29Å; I190-L192 PolarHBondContact O-N 3.3Å; L192-K195 PolarHBondContact O-N 3.16Å; L192-A196 WeakPolarHBondContact O-CB 3.49Å; L192-A196 PolarHBondContact O-N 3.37Å
193A97.1Very high92Very high0 Ų040.3 Ų40.30%022%0.22CC..Hα-helixtrans-64.8-41.7176.700000111.9I37 V44 A189 I190 K191 A196 L197 L210I37-A193 VanDerWaalsContact CD1-CA 3.45Å; I37-A193 HydrophobicContact CD1-CB 3.75Å; I37-A193 VanDerWaalsContact CD1-N 3.29Å; I37-A193 HydrophobicContact CG1-CB 4.3Å; V44-A193 HydrophobicContact CB-CB 4.42Å; V44-A193 HydrophobicContact CG1-CB 3.71Å; A189-A193 PolarHBondContact O-N 3.12Å; A189-A193 VanDerWaalsContact O-N 3.12Å; I190-A193 WeakPolarHBondContact O-CB 3.46Å; I190-A193 PolarHBondContact O-N 3.05Å; I190-A193 VanDerWaalsContact O-N 3.13Å; K191-A193 VanDerWaalsContact C-N 3.34Å; K191-A193 PolarHBondContact O-N 3.09Å; A193-A196 PolarHBondContact O-N 3.02Å; A193-L197 WeakPolarHBondContact O-CG 3.46Å; A193-L197 PolarHBondContact O-N 3.11Å; A193-L197 VanDerWaalsContact O-N 3.07Å; A193-L210 HydrophobicContact CB-CD2 4.1Å
194I95.9Very high90.7Very high0 Ų041.1 Ų41.10%023%0.232CC..Hα-helixtrans-65-49175.3-65.1167.7000110.5I190 K191 A196 L197 L198 I208 L210 L230 V231 I234I190-I194 HydrophobicContact CG2-CD1 4.06Å; I190-I194 WeakPolarHBondContact O-CG1 3.34Å; I190-I194 PolarHBondContact O-N 3Å; K191-I194 PolarHBondContact O-N 3.1Å; I194-A196 PolarHBondContact O-N 3.25Å; I194-L197 PolarHBondContact O-N 3.4Å; I194-L197 VanDerWaalsContact O-N 3.08Å; I194-L198 HydrophobicContact CG2-CD1 3.84Å; I194-L198 HydrophobicContact CG2-CG 4.15Å; I194-L198 WeakPolarHBondContact O-CG 3.17Å; I194-L198 PolarHBondContact O-N 3.25Å; I194-I208 HydrophobicContact CG2-CD1 4.23Å; I194-L210 HydrophobicContact CD1-CD1 3.83Å; I194-L210 HydrophobicContact CG1-CD1 3.47Å; I194-L210 VanDerWaalsContact CG1-CD1 3.47Å; I194-L230 HydrophobicContact CD1-CB 3.57Å; I194-L230 HydrophobicContact CD1-CD1 3.93Å; I194-L230 HydrophobicContact CD1-CG 4.39Å; I194-V231 HydrophobicContact CG2-CG2 3.64Å; I194-I234 HydrophobicContact CB-CD1 3.61Å; I194-I234 HydrophobicContact CD1-CD1 4.17Å; I194-I234 HydrophobicContact CG1-CD1 4.48Å; I194-I234 HydrophobicContact CG2-CD1 3.43Å; I194-I234 VanDerWaalsContact CG2-CD1 3.43Å
195K95.3Very high90Very high47 Ų4738.7 Ų38.720%0.20421%0.212CC..Hα-helixtrans-55.3-42.6177.7-73.6176-175.8-176.30110.8F173 K191 L192 L198 I234 E237F173-K195 HydrophobicContact CE1-CB 4.16Å; F173-K195 HydrophobicContact CZ-CB 3.74Å; K191-K195 WeakPolarHBondContact O-CB 3.29Å; K191-K195 VanDerWaalsContact O-CG 3.27Å; K191-K195 WeakPolarHBondContact O-CG 3.29Å; K191-K195 PolarHBondContact O-N 3.33Å; L192-K195 PolarHBondContact O-N 3.16Å; K195-L198 PolarHBondContact O-N 3.44Å; K195-I234 HydrophobicContact CD-CG2 4.36Å; K195-I234 HydrophobicContact CG-CD1 4.17Å; K195-I234 HydrophobicContact CG-CG1 4.34Å; K195-I234 HydrophobicContact CG-CG2 3.66Å; K195-E237 IonicContact NZ-OE2 2.68Å; K195-E237 PolarHBondContact NZ-OE2 2.85Å
196A96.3Very high89.5Confident0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-65.1-38.3176.800000113.6V35 V170 F173 L174 L192 A193 I194V35-A196 HydrophobicContact CG1-CB 4.26Å; V170-A196 HydrophobicContact CG1-CB 3.98Å; F173-A196 HydrophobicContact CD1-CB 3.83Å; F173-A196 HydrophobicContact CE1-CB 3.89Å; L174-A196 HydrophobicContact CD2-CB 3.9Å; L174-A196 HydrophobicContact CG-CB 4.31Å; L192-A196 WeakPolarHBondContact O-CB 3.49Å; L192-A196 PolarHBondContact O-N 3.37Å; A193-A196 PolarHBondContact O-N 3.02Å; I194-A196 PolarHBondContact O-N 3.25Å
197L95.2Very high89.3Confident0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-72.4-33.8175.9-74.9173.7000112.7T33 V35 A193 I194 E199 V200 V201 I208T33-L197 HydrophobicContact CG2-CD2 4.43Å; V35-L197 HydrophobicContact CG2-CD2 3.79Å; V35-L197 HydrophobicContact CG2-CG 4.19Å; A193-L197 WeakPolarHBondContact O-CG 3.46Å; A193-L197 PolarHBondContact O-N 3.11Å; A193-L197 VanDerWaalsContact O-N 3.07Å; I194-L197 PolarHBondContact O-N 3.4Å; I194-L197 VanDerWaalsContact O-N 3.08Å; L197-E199 PolarHBondContact O-N 3.39Å; L197-V200 PolarHBondContact O-N 2.67Å; L197-V201 WeakPolarHBondContact O-CG2 3.32Å; L197-V201 PolarHBondContact O-N 3.39Å; L197-I208 HydrophobicContact CB-CD1 4.21Å; L197-I208 HydrophobicContact CB-CG1 4.42Å; L197-I208 HydrophobicContact CD1-CG1 4.33Å; L197-I208 HydrophobicContact CD1-CG2 3.73Å
198L93.5Very high89.2Confident30 Ų3040.1 Ų40.116%0.15721%0.207CC..Hα-helixtrans-65.4-15.8176.6-71.9173.8000113.4I194 K195 V200 I208 I234I194-L198 HydrophobicContact CG2-CD1 3.84Å; I194-L198 HydrophobicContact CG2-CG 4.15Å; I194-L198 WeakPolarHBondContact O-CG 3.17Å; I194-L198 PolarHBondContact O-N 3.25Å; K195-L198 PolarHBondContact O-N 3.44Å; L198-V200 PolarHBondContact O-N 3.35Å; L198-I208 HydrophobicContact CD2-CD1 4.16Å; L198-I208 HydrophobicContact CG-CD1 4.4Å; L198-I234 HydrophobicContact CD1-CG2 4.02Å
199E92.4Very high89.1Confident83 Ų8336.7 Ų36.739%0.38819%0.191SC..THydrogen-bonded Turntrans-68.1-17.1170.2-63.1-59.6127.800112.9F173 L197 K238F173-E199 HydrophobicContact CB-CG 4.15Å; F173-E199 HydrophobicContact CD1-CG 4.47Å; F173-E199 HydrophobicContact CD2-CG 3.71Å; F173-E199 HydrophobicContact CE2-CG 4.28Å; F173-E199 HydrophobicContact CG-CG 3.84Å; L197-E199 PolarHBondContact O-N 3.39Å; E199-K238 IonicContact OE1-NZ 3.39Å
200V91.1Very high89Confident23 Ų2336.7 Ų36.714%0.13919%0.191CC..THydrogen-bonded Turntrans-118.9-33.5-178.7-172.40000111.9T33 V170 L197 L198 Q202T33-V200 HydrophobicContact CG2-CG2 4.48Å; V170-V200 HydrophobicContact CG2-CG2 3.37Å; L197-V200 PolarHBondContact O-N 2.67Å; L198-V200 PolarHBondContact O-N 3.35Å; V200-Q202 PolarHBondContact O-N 3.06Å
201V87.5Confident88.9Confident9 Ų936.6 Ų36.66%0.05519%0.191CC..  trans-83.6113.5-178.8178.60000109.9E48 L197 S203 N207E48-V201 HydrophobicContact CB-CG2 4.31Å; E48-V201 HydrophobicContact CG-CG2 3.9Å; L197-V201 WeakPolarHBondContact O-CG2 3.32Å; L197-V201 PolarHBondContact O-N 3.39Å; V201-S203 VanDerWaalsContact C-N 3.33Å; V201-S203 PolarHBondContact O-N 3.44Å; V201-N207 HydrophobicContact CG1-CB 3.68Å
202Q74.4Confident89Confident193 Ų19335 Ų3590%0.90218%0.184SC*.  trans-70.6-21.1-175.7-69.5-179.3-23.800114.6V200V200-Q202 PolarHBondContact O-N 3.06Å
203S68.3Low88.9Confident87 Ų8734.7 Ų34.761%0.60818%0.183SC*.SBendtrans-157.9123.8179.4-54.30000113.6V201 N207V201-S203 VanDerWaalsContact C-N 3.33Å; V201-S203 PolarHBondContact O-N 3.44Å; S203-N207 PolarHBondContact O-ND2 3.33Å
204G66.5Low88.8Confident29 Ų2937.1 Ų37.130%0.29919%0.192SC..  trans77.6149.1152.200000117.9K206 N207G204-K206 PolarHBondContact O-N 3.46Å; G204-N207 PolarHBondContact O-N 3.32Å
205G75.1Confident88.7Confident5 Ų542.5 Ų42.55%0.05221%0.212CC..G310 helixtrans-59.1-17.2177.100000115.3N207 I208G205-N207 PolarHBondContact O-N 3.22Å; G205-I208 PolarHBondContact O-N 3.02Å; G205-I208 VanDerWaalsContact O-N 3.11Å
206K82.7Confident88.3Confident150 Ų15047.7 Ų47.765%0.65224%0.242SC*.G310 helixtrans-62.5-25177.5-64.6-177.4-179.91770114.1G204 I208 E228G204-K206 PolarHBondContact O-N 3.46Å; K206-I208 VanDerWaalsContact C-N 3.34Å; K206-E228 WeakPolarHBondContact CE-OE1 3.2Å; K206-E228 VanDerWaalsContact CG-OE1 3.22Å; K206-E228 WeakPolarHBondContact CG-OE1 3.1Å
207N88.2Confident88.1Confident40 Ų4052.6 Ų52.621%0.21427%0.265CS..G310 helixtrans-96.814.1179.9-66.1-41.2000112.3K49 V201 S203 G204 G205K49-N207 PolarHBondContact N-O 2.9Å; K49-N207 WeakPolarHBondContact O-CA 3.46Å; K49-N207 WeakPolarHBondContact O-CB 3.49Å; K49-N207 PolarHBondContact O-OD1 2.9Å; V201-N207 HydrophobicContact CG1-CB 3.68Å; S203-N207 PolarHBondContact O-ND2 3.33Å; G204-N207 PolarHBondContact O-N 3.32Å; G205-N207 PolarHBondContact O-N 3.22Å
208I92.1Very high87.8Confident8 Ų857.5 Ų57.54%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-121128.1-179.3-64.7176000108.5I194 L197 L198 G205 K206 L210 I227 V231I194-I208 HydrophobicContact CG2-CD1 4.23Å; L197-I208 HydrophobicContact CB-CD1 4.21Å; L197-I208 HydrophobicContact CB-CG1 4.42Å; L197-I208 HydrophobicContact CD1-CG1 4.33Å; L197-I208 HydrophobicContact CD1-CG2 3.73Å; L198-I208 HydrophobicContact CD2-CD1 4.16Å; L198-I208 HydrophobicContact CG-CD1 4.4Å; G205-I208 PolarHBondContact O-N 3.02Å; G205-I208 VanDerWaalsContact O-N 3.11Å; K206-I208 VanDerWaalsContact C-N 3.34Å; I208-L210 HydrophobicContact CG2-CD1 3.92Å; I208-L210 HydrophobicContact CG2-CG 3.88Å; I208-I227 HydrophobicContact CB-CG2 4.07Å; I208-I227 HydrophobicContact CG2-CG2 3.99Å; I208-I227 WeakPolarHBondContact O-CD1 3.37Å; I208-V231 HydrophobicContact CD1-CG2 4.37Å
209E92.9Very high87.8Confident18 Ų1858.2 Ų58.28%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-113.7129.4167.8-172.4172.3124.300108.1G46 V47 K49 I64G46-E209 CarbonylContact C-O 3.24Å; G46-E209 WeakPolarHBondContact CA-O 3.23Å; V47-E209 PolarHBondContact N-O 2.77Å; V47-E209 PolarHBondContact O-N 3.13Å; K49-E209 IonicContact NZ-OE2 3.93Å; K49-E209 PolarHBondContact NZ-OE2 3.48Å; I64-E209 HydrophobicContact CD1-CG 4.27Å
210L94.9Very high87.8Confident0 Ų058.4 Ų58.40%030%0.3CS..EExtended strand (participates in β ladder)trans-125138.4-179.3-80.4161.5000110.4V44 L45 I190 A193 I194 I208 L222 I227V44-L210 HydrophobicContact CG1-CD2 3.71Å; L45-L210 WeakPolarHBondContact O-CA 3.45Å; I190-L210 HydrophobicContact CG2-CD1 4.35Å; A193-L210 HydrophobicContact CB-CD2 4.1Å; I194-L210 HydrophobicContact CD1-CD1 3.83Å; I194-L210 HydrophobicContact CG1-CD1 3.47Å; I194-L210 VanDerWaalsContact CG1-CD1 3.47Å; I208-L210 HydrophobicContact CG2-CD1 3.92Å; I208-L210 HydrophobicContact CG2-CG 3.88Å; L210-L222 HydrophobicContact CB-CB 4.37Å; L210-L222 HydrophobicContact CB-CD1 3.91Å; L210-L222 HydrophobicContact CB-CG 4.19Å; L210-L222 HydrophobicContact CD1-CD1 4.29Å; L210-L222 PolarHBondContact O-N 3.47Å; L210-I227 HydrophobicContact CB-CD1 4.14Å; L210-I227 HydrophobicContact CD1-CD1 4.39Å; L210-I227 HydrophobicContact CD1-CG1 4.23Å; L210-I227 HydrophobicContact CD1-CG2 4.46Å
211A95.4Very high87.9Confident2 Ų260.2 Ų60.22%0.01731%0.308CS..EExtended strand (participates in β ladder)trans-129.3140.2167.400000110.2L45 I64 L219 K220 I221L45-A211 PolarHBondContact N-O 3.44Å; L45-A211 PolarHBondContact O-N 3.24Å; I64-A211 HydrophobicContact CD1-CB 3.78Å; I64-A211 HydrophobicContact CG2-CB 3.7Å; A211-L219 HydrophobicContact CB-CD1 3.74Å; A211-K220 WeakPolarHBondContact CA-O 3.12Å; A211-I221 HydrophobicContact CB-CG1 4.2Å
212V96.4Very high88.1Confident2 Ų260.5 Ų60.51%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-123.1138.6-179.3-58.90000109I42 V44 I190 K220 L222I42-V212 HydrophobicContact CD1-CB 4.17Å; I42-V212 HydrophobicContact CD1-CG1 4.22Å; V44-V212 HydrophobicContact CG1-CG1 4.25Å; V44-V212 HydrophobicContact CG2-CG1 4.17Å; I190-V212 HydrophobicContact CD1-CG1 3.95Å; I190-V212 HydrophobicContact CG1-CG1 3.9Å; V212-K220 HydrophobicContact CG2-CB 3.94Å; V212-K220 PolarHBondContact N-O 3.05Å; V212-K220 PolarHBondContact O-N 3.02Å; V212-L222 HydrophobicContact CG1-CD1 4.4Å; V212-L222 HydrophobicContact CG1-CG 4.49Å; V212-L222 HydrophobicContact CG2-CD2 4.06Å
213I95.7Very high89Confident3 Ų357.2 Ų57.22%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-117.7128164.8-51.2176.2000105.5I42 V43 C72 V136 F138 L219I42-I213 WeakPolarHBondContact CA-O 3.44Å; I42-I213 WeakPolarHBondContact CG1-O 3.44Å; V43-I213 HydrophobicContact CG1-CB 3.86Å; V43-I213 HydrophobicContact CG1-CD1 4.37Å; V43-I213 HydrophobicContact CG1-CG1 4.4Å; V43-I213 PolarHBondContact N-O 2.87Å; V43-I213 PolarHBondContact O-N 3.18Å; C72-I213 HydrophobicContact CB-CD1 3.74Å; V136-I213 HydrophobicContact CG2-CD1 4.02Å; F138-I213 HydrophobicContact CD2-CB 4.34Å; F138-I213 HydrophobicContact CD2-CG2 3.62Å; F138-I213 HydrophobicContact CE2-CB 4.11Å; F138-I213 HydrophobicContact CE2-CG2 3.78Å; F138-I213 WeakPolarHBondContact CE2-O 3.39Å; I213-L219 HydrophobicContact CD1-CD1 4.14Å; I213-L219 HydrophobicContact CG1-CB 4.4Å; I213-L219 HydrophobicContact CG1-CD1 3.59Å
214R95.3Very high89.9Confident51 Ų5156 Ų5619%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-107.1158.4171.4-65.7177.6175.990.34.9108.7D41 I42 D186 N216 Q217D41-R214 WeakPolarHBondContact O-CA 3.39Å; I42-R214 HydrophobicContact CD1-CG 4.34Å; I42-R214 HydrophobicContact CG1-CG 4.21Å; D186-R214 VanDerWaalsContact OD2-CD 3.28Å; D186-R214 WeakPolarHBondContact OD2-CD 3.39Å; D186-R214 IonicContact OD2-CZ 3.99Å; D186-R214 IonicContact OD2-NE 3.68Å; D186-R214 PolarHBondContact OD2-NE 3.45Å; D186-R214 IonicContact OD2-NH2 2.69Å; R214-N216 PolarHBondContact O-N 2.73Å; R214-Q217 HydrophobicContact CB-CB 4.11Å; R214-Q217 HydrophobicContact CB-CG 4.27Å; R214-Q217 PolarHBondContact O-N 3.49Å; R214-Q217 VanDerWaalsContact O-N 3.07Å
215R92.6Very high91Very high113 Ų11362.1 Ų62.143%0.42630%0.304SS..THydrogen-bonded Turntrans-52.6128.9174.9-170.3177.1-177.31736.3110.5D41 F138 D141 Q217D41-R215 PolarHBondContact O-N 2.81Å; F138-R215 HydrophobicContact CD1-CB 4.27Å; F138-R215 HydrophobicContact CD1-CG 4.4Å; F138-R215 HydrophobicContact CE1-CB 3.89Å; F138-R215 HydrophobicContact CE1-CG 4.43Å; F138-R215 HydrophobicContact CZ-CB 4.35Å; D141-R215 PolarHBondContact O-NH2 2.96Å; R215-Q217 PolarHBondContact O-N 3.49Å; R215-Q217 VanDerWaalsContact O-N 3.16Å
216N88.2Confident91.9Very high155 Ų15565.2 Ų65.283%0.82932%0.317SS*.THydrogen-bonded Turntrans57.722.7179.6-54.3-26000115.2R214R214-N216 PolarHBondContact O-N 2.73Å
217Q91.3Very high92.3Very high104 Ų10458.1 Ų58.149%0.48629%0.287SS..SBendtrans-125.2146.2175.1-63.5-176.216.500110.6R214 R215R214-Q217 HydrophobicContact CB-CB 4.11Å; R214-Q217 HydrophobicContact CB-CG 4.27Å; R214-Q217 PolarHBondContact O-N 3.49Å; R214-Q217 VanDerWaalsContact O-N 3.07Å; R215-Q217 PolarHBondContact O-N 3.49Å; R215-Q217 VanDerWaalsContact O-N 3.16Å
218P89.5Confident92.5Very high103 Ų10359.9 Ų59.967%0.66929%0.294SS*.  trans-66.7161176.329.9-35.6000111.1K220P218-K220 PolarHBondContact O-N 2.88Å
219L92.4Very high92.5Very high44 Ų4463.4 Ų63.423%0.2332%0.316CS..  trans-51.6119.5171.717969.7000111.4A66 C72 A211 I213A66-L219 HydrophobicContact CB-CD2 3.96Å; C72-L219 HydrophobicContact CB-CD1 4Å; C72-L219 HydrophobicContact CB-CD2 4.33Å; A211-L219 HydrophobicContact CB-CD1 3.74Å; I213-L219 HydrophobicContact CD1-CD1 4.14Å; I213-L219 HydrophobicContact CG1-CB 4.4Å; I213-L219 HydrophobicContact CG1-CD1 3.59Å
220K93.9Very high92.5Very high87 Ų8763.8 Ų63.838%0.37832%0.318SS..EExtended strand (participates in β ladder)trans-106.1118.9169.3-174.8-175.8176.6-165.70109.3A211 V212 P218 L222 E226A211-K220 WeakPolarHBondContact CA-O 3.12Å; V212-K220 HydrophobicContact CG2-CB 3.94Å; V212-K220 PolarHBondContact N-O 3.05Å; V212-K220 PolarHBondContact O-N 3.02Å; P218-K220 PolarHBondContact O-N 2.88Å; K220-L222 HydrophobicContact CD-CD2 4.12Å; K220-L222 HydrophobicContact CG-CD2 4.38Å; K220-E226 IonicContact NZ-OE1 2.84Å; K220-E226 PolarHBondContact NZ-OE1 3.46Å; K220-E226 IonicContact NZ-OE2 3.23Å; K220-E226 PolarHBondContact NZ-OE2 3.15Å
221I92.3Very high92.4Very high61 Ų6164 Ų6431%0.31332%0.319SS..EExtended strand (participates in β ladder)trans-83.3124.8164.3-58.9175.6000106.6A211A211-I221 HydrophobicContact CB-CG1 4.2Å
222L93.1Very high92.2Very high15 Ų1566 Ų668%0.07934%0.336CS..PPolyproline II helixtrans-71.9145.3-178.8-57.9-174.9000110.5I190 L210 V212 K220 E226 I227I190-L222 HydrophobicContact CG2-CD1 4.2Å; L210-L222 HydrophobicContact CB-CB 4.37Å; L210-L222 HydrophobicContact CB-CD1 3.91Å; L210-L222 HydrophobicContact CB-CG 4.19Å; L210-L222 HydrophobicContact CD1-CD1 4.29Å; L210-L222 PolarHBondContact O-N 3.47Å; V212-L222 HydrophobicContact CG1-CD1 4.4Å; V212-L222 HydrophobicContact CG1-CG 4.49Å; V212-L222 HydrophobicContact CG2-CD2 4.06Å; K220-L222 HydrophobicContact CD-CD2 4.12Å; K220-L222 HydrophobicContact CG-CD2 4.38Å; L222-E226 WeakPolarHBondContact CD2-OE2 3.38Å; L222-I227 HydrophobicContact CB-CD1 4.2Å; L222-I227 HydrophobicContact CB-CG1 3.95Å
223E91.4Very high92Very high125 Ų12569.7 Ų69.758%0.58435%0.353SS*.PPolyproline II helixtrans-75.3149.7176-64.7-170.5178.500111K225 E226 I227E223-K225 PolarHBondContact O-N 2.94Å; E223-K225 VanDerWaalsContact O-N 3.08Å; E223-E226 HydrophobicContact CB-CG 4.33Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 3.12Å; E223-I227 PolarHBondContact O-N 3.46Å; E223-I227 VanDerWaalsContact O-N 3.12Å
224S87.6Confident91.8Very high62 Ų6269.6 Ų69.643%0.43435%0.352SS..Hα-helixtrans-55.3-33.4-179.9-46.20000112.8I227 E228S224-I227 PolarHBondContact O-N 3.28Å; S224-E228 WeakPolarHBondContact O-CB 3.3Å; S224-E228 VanDerWaalsContact O-CG 3.3Å; S224-E228 WeakPolarHBondContact O-CG 3.35Å; S224-E228 PolarHBondContact O-N 2.98Å
225K90.4Very high91.5Very high156 Ų15671.6 Ų71.668%0.67836%0.364SS*.Hα-helixtrans-66.8-41.7176.5-66.8-179.3-179.4176.10113E223 I227 E228 T229E223-K225 PolarHBondContact O-N 2.94Å; E223-K225 VanDerWaalsContact O-N 3.08Å; K225-I227 VanDerWaalsContact C-N 3.32Å; K225-E228 PolarHBondContact O-N 3.36Å; K225-T229 PolarHBondContact O-N 2.7Å; K225-T229 VanDerWaalsContact O-N 3.09Å; K225-T229 PolarHBondContact O-OG1 2.98Å
226E92.7Very high91.4Very high70 Ų7072.5 Ų72.533%0.32737%0.371SS..Hα-helixtrans-62.4-44176.1-65.2-179.516400109.5K220 L222 E223 T229 L230K220-E226 IonicContact NZ-OE1 2.84Å; K220-E226 PolarHBondContact NZ-OE1 3.46Å; K220-E226 IonicContact NZ-OE2 3.23Å; K220-E226 PolarHBondContact NZ-OE2 3.15Å; L222-E226 WeakPolarHBondContact CD2-OE2 3.38Å; E223-E226 HydrophobicContact CB-CG 4.33Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 3.12Å; E226-T229 PolarHBondContact O-N 2.89Å; E226-L230 WeakPolarHBondContact O-CG 3.27Å; E226-L230 PolarHBondContact O-N 3.14Å; E226-L230 VanDerWaalsContact O-N 3.13Å
227I92.6Very high91.5Very high2 Ų268 Ų681%0.0135%0.345CS..Hα-helixtrans-64.7-44.6178.2-58.9175.6000111.1I208 L210 L222 E223 S224 K225 T229 L230 V231I208-I227 HydrophobicContact CB-CG2 4.07Å; I208-I227 HydrophobicContact CG2-CG2 3.99Å; I208-I227 WeakPolarHBondContact O-CD1 3.37Å; L210-I227 HydrophobicContact CB-CD1 4.14Å; L210-I227 HydrophobicContact CD1-CD1 4.39Å; L210-I227 HydrophobicContact CD1-CG1 4.23Å; L210-I227 HydrophobicContact CD1-CG2 4.46Å; L222-I227 HydrophobicContact CB-CD1 4.2Å; L222-I227 HydrophobicContact CB-CG1 3.95Å; E223-I227 PolarHBondContact O-N 3.46Å; E223-I227 VanDerWaalsContact O-N 3.12Å; S224-I227 PolarHBondContact O-N 3.28Å; K225-I227 VanDerWaalsContact C-N 3.32Å; I227-T229 VanDerWaalsContact C-N 3.3Å; I227-T229 PolarHBondContact O-N 3.38Å; I227-L230 PolarHBondContact O-N 3.29Å; I227-V231 HydrophobicContact CG2-CG2 4.28Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.47Å; I227-V231 PolarHBondContact O-N 2.69Å
228E91.3Very high91.2Very high77 Ų7767.2 Ų67.236%0.3634%0.34SS..Hα-helixtrans-61-38.7178.3-78.5178.2172.700112.3K206 S224 K225 V231 A232K206-E228 WeakPolarHBondContact CE-OE1 3.2Å; K206-E228 VanDerWaalsContact CG-OE1 3.22Å; K206-E228 WeakPolarHBondContact CG-OE1 3.1Å; S224-E228 WeakPolarHBondContact O-CB 3.3Å; S224-E228 VanDerWaalsContact O-CG 3.3Å; S224-E228 WeakPolarHBondContact O-CG 3.35Å; S224-E228 PolarHBondContact O-N 2.98Å; K225-E228 PolarHBondContact O-N 3.36Å; E228-V231 PolarHBondContact O-N 3.46Å; E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 3.27Å
229T92.9Very high91.1Very high82 Ų8268.5 Ų68.550%0.50334%0.337SS..Hα-helixtrans-65.7-46.6177.1-56.40000111K225 E226 I227 V231 A232 E233K225-T229 PolarHBondContact O-N 2.7Å; K225-T229 VanDerWaalsContact O-N 3.09Å; K225-T229 PolarHBondContact O-OG1 2.98Å; E226-T229 PolarHBondContact O-N 2.89Å; I227-T229 VanDerWaalsContact C-N 3.3Å; I227-T229 PolarHBondContact O-N 3.38Å; T229-V231 VanDerWaalsContact C-N 3.34Å; T229-V231 PolarHBondContact O-N 3.35Å; T229-A232 PolarHBondContact O-N 2.99Å; T229-E233 PolarHBondContact O-N 2.98Å
230L93.4Very high91Very high26 Ų2671.4 Ų71.414%0.13635%0.349CS..Hα-helixtrans-63.5-37.9177.4-70.2169.5000112.5I190 I194 E226 I227 E233 I234I190-L230 HydrophobicContact CG2-CD1 3.8Å; I194-L230 HydrophobicContact CD1-CB 3.57Å; I194-L230 HydrophobicContact CD1-CD1 3.93Å; I194-L230 HydrophobicContact CD1-CG 4.39Å; E226-L230 WeakPolarHBondContact O-CG 3.27Å; E226-L230 PolarHBondContact O-N 3.14Å; E226-L230 VanDerWaalsContact O-N 3.13Å; I227-L230 PolarHBondContact O-N 3.29Å; L230-E233 PolarHBondContact O-N 3.35Å; L230-I234 WeakPolarHBondContact O-CD1 3.28Å; L230-I234 VanDerWaalsContact O-CG1 3.22Å; L230-I234 WeakPolarHBondContact O-CG1 3.25Å; L230-I234 PolarHBondContact O-N 3.41Å
231V92.5Very high90.6Very high5 Ų572.1 Ų72.13%0.0335%0.354CS..Hα-helixtrans-63.9-44.7175.1170.20000110.6I194 I208 I227 E228 T229 E233 I234 E235I194-V231 HydrophobicContact CG2-CG2 3.64Å; I208-V231 HydrophobicContact CD1-CG2 4.37Å; I227-V231 HydrophobicContact CG2-CG2 4.28Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.47Å; I227-V231 PolarHBondContact O-N 2.69Å; E228-V231 PolarHBondContact O-N 3.46Å; T229-V231 VanDerWaalsContact C-N 3.34Å; T229-V231 PolarHBondContact O-N 3.35Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 PolarHBondContact O-N 3.12Å; V231-I234 PolarHBondContact O-N 3.19Å; V231-I234 VanDerWaalsContact O-N 3.16Å; V231-E235 HydrophobicContact CG1-CG 4.43Å; V231-E235 WeakPolarHBondContact O-CG 3.38Å; V231-E235 PolarHBondContact O-N 3.15Å
232A91.6Very high90.2Very high43 Ų4371.4 Ų71.436%0.35536%0.357SS..Hα-helixtrans-63.1-37.617800000112.5E228 T229 K236E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 3.27Å; T229-A232 PolarHBondContact O-N 2.99Å; A232-K236 WeakPolarHBondContact O-CG 3.31Å; A232-K236 PolarHBondContact O-N 2.84Å; A232-K236 VanDerWaalsContact O-N 3.14Å
233E91.8Very high89.9Confident80 Ų8076.2 Ų76.237%0.37438%0.379SS..Hα-helixtrans-62-45.4171.8-72.2178.1-163.200111.8K191 T229 L230 V231 E235 K236 E237K191-E233 VanDerWaalsContact CE-OE2 3.24Å; K191-E233 WeakPolarHBondContact CE-OE2 3.33Å; K191-E233 IonicContact NZ-OE2 2.79Å; K191-E233 PolarHBondContact NZ-OE2 3.47Å; T229-E233 PolarHBondContact O-N 2.98Å; L230-E233 PolarHBondContact O-N 3.35Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 PolarHBondContact O-N 3.12Å; E233-E235 PolarHBondContact O-N 3.25Å; E233-K236 PolarHBondContact O-N 3.17Å; E233-E237 WeakPolarHBondContact O-CG 3.4Å; E233-E237 PolarHBondContact O-N 3.22Å
234I91.8Very high89.5Confident0 Ų075.9 Ų75.90%038%0.376CS..Hα-helixtrans-64.2-39.9-179.7-71.6163.7000111.8K191 I194 K195 L198 L230 V231 E237 K238K191-I234 HydrophobicContact CB-CD1 4.18Å; K191-I234 HydrophobicContact CB-CG1 4.47Å; K191-I234 HydrophobicContact CD-CG1 4.47Å; K191-I234 HydrophobicContact CG-CD1 4.12Å; K191-I234 HydrophobicContact CG-CG1 4.21Å; I194-I234 HydrophobicContact CB-CD1 3.61Å; I194-I234 HydrophobicContact CD1-CD1 4.17Å; I194-I234 HydrophobicContact CG1-CD1 4.48Å; I194-I234 HydrophobicContact CG2-CD1 3.43Å; I194-I234 VanDerWaalsContact CG2-CD1 3.43Å; K195-I234 HydrophobicContact CD-CG2 4.36Å; K195-I234 HydrophobicContact CG-CD1 4.17Å; K195-I234 HydrophobicContact CG-CG1 4.34Å; K195-I234 HydrophobicContact CG-CG2 3.66Å; L198-I234 HydrophobicContact CD1-CG2 4.02Å; L230-I234 WeakPolarHBondContact O-CD1 3.28Å; L230-I234 VanDerWaalsContact O-CG1 3.22Å; L230-I234 WeakPolarHBondContact O-CG1 3.25Å; L230-I234 PolarHBondContact O-N 3.41Å; V231-I234 PolarHBondContact O-N 3.19Å; V231-I234 VanDerWaalsContact O-N 3.16Å; I234-E237 PolarHBondContact O-N 3.46Å; I234-K238 WeakPolarHBondContact O-CB 3.47Å; I234-K238 WeakPolarHBondContact O-CG 3.39Å; I234-K238 PolarHBondContact O-N 2.92Å
235E89.1Confident89.2Confident93 Ų9379.2 Ų79.244%0.43538%0.382SS..Hα-helixtrans-64.5-44.1176.9-73.3178.3169.800111V231 E233 K238 E239V231-E235 HydrophobicContact CG1-CG 4.43Å; V231-E235 WeakPolarHBondContact O-CG 3.38Å; V231-E235 PolarHBondContact O-N 3.15Å; E233-E235 PolarHBondContact O-N 3.25Å; E235-K238 PolarHBondContact O-N 3.28Å; E235-E239 WeakPolarHBondContact O-CG 3.49Å; E235-E239 PolarHBondContact O-N 3.13Å
236K89.8Confident88.7Confident133 Ų13379 Ų7958%0.57838%0.381SS*.Hα-helixtrans-60.7-46.5173.7-71.8175.5-178.8-177.90112.6A232 E233 K238 E239 E240A232-K236 WeakPolarHBondContact O-CG 3.31Å; A232-K236 PolarHBondContact O-N 2.84Å; A232-K236 VanDerWaalsContact O-N 3.14Å; E233-K236 PolarHBondContact O-N 3.17Å; K236-K238 VanDerWaalsContact C-N 3.28Å; K236-K238 PolarHBondContact O-N 3.44Å; K236-E239 PolarHBondContact O-N 2.67Å; K236-E240 WeakPolarHBondContact O-CG 3.46Å; K236-E240 PolarHBondContact O-N 3.42Å
237E89.3Confident87.8Confident61 Ų6181.7 Ų81.729%0.28539%0.394SS..Hα-helixtrans-56.8-42.9175.8-75172-162.700111.4K191 K195 E233 I234 E241K191-E237 IonicContact NZ-OE1 3.82Å; K191-E237 PolarHBondContact NZ-OE1 2.92Å; K195-E237 IonicContact NZ-OE2 2.68Å; K195-E237 PolarHBondContact NZ-OE2 2.85Å; E233-E237 WeakPolarHBondContact O-CG 3.4Å; E233-E237 PolarHBondContact O-N 3.22Å; I234-E237 PolarHBondContact O-N 3.46Å; E237-E241 WeakPolarHBondContact O-CG 3.47Å; E237-E241 PolarHBondContact O-N 2.97Å
238K85.9Confident86.7Confident86 Ų8689.8 Ų89.837%0.37443%0.429SS..Hα-helixtrans-65.7-40.1178.3-79.8-174.5174.6-170.30112.3E199 I234 E235 K236 A242E199-K238 IonicContact OE1-NZ 3.39Å; I234-K238 WeakPolarHBondContact O-CB 3.47Å; I234-K238 WeakPolarHBondContact O-CG 3.39Å; I234-K238 PolarHBondContact O-N 2.92Å; E235-K238 PolarHBondContact O-N 3.28Å; K236-K238 VanDerWaalsContact C-N 3.28Å; K236-K238 PolarHBondContact O-N 3.44Å; K238-A242 WeakPolarHBondContact O-CB 3.45Å; K238-A242 PolarHBondContact O-N 3.12Å
239E86.8Confident85.7Confident131 Ų13194.8 Ų94.861%0.61245%0.45SS*.Hα-helixtrans-64.2-47.5176.7-73.4178.1172.700111.3E235 K236 E241 A242 E243E235-E239 WeakPolarHBondContact O-CG 3.49Å; E235-E239 PolarHBondContact O-N 3.13Å; K236-E239 PolarHBondContact O-N 2.67Å; E239-E241 PolarHBondContact O-N 3.16Å; E239-A242 WeakPolarHBondContact O-CB 3.43Å; E239-A242 PolarHBondContact O-N 2.96Å; E239-A242 VanDerWaalsContact O-N 3.13Å; E239-E243 WeakPolarHBondContact O-CG 3.41Å; E239-E243 PolarHBondContact O-N 3.25Å
240E90.1Very high84.1Confident105 Ų10595.7 Ų95.749%0.49146%0.459SS..Hα-helixtrans-61.5-41.3177.1-71.2-177.1-165.500112.6K236 A242 E243 K244K236-E240 WeakPolarHBondContact O-CG 3.46Å; K236-E240 PolarHBondContact O-N 3.42Å; E240-A242 VanDerWaalsContact C-N 3.32Å; E240-E243 PolarHBondContact O-N 3.3Å; E240-K244 WeakPolarHBondContact O-CB 3.46Å; E240-K244 VanDerWaalsContact O-CG 3.26Å; E240-K244 WeakPolarHBondContact O-CG 3.49Å; E240-K244 PolarHBondContact O-N 2.98Å; E240-K244 IonicContact OE2-NZ 3.59Å
241E86.1Confident81.9Confident102 Ų102102.6 Ų102.648%0.47750%0.503SS..Hα-helixtrans-63.8-38.2174.6-80.8-170.6-170.900112.3E237 E239 K245E237-E241 WeakPolarHBondContact O-CG 3.47Å; E237-E241 PolarHBondContact O-N 2.97Å; E239-E241 PolarHBondContact O-N 3.16Å; E241-K245 WeakPolarHBondContact O-CB 3.44Å; E241-K245 VanDerWaalsContact O-CG 3.31Å; E241-K245 WeakPolarHBondContact O-CG 3.48Å; E241-K245 PolarHBondContact O-N 2.86Å; E241-K245 IonicContact OE2-NZ 3.37Å
242A85.1Confident81.4Confident45 Ų45107.5 Ų107.537%0.37253%0.527SS..Hα-helixtrans-67.4-40.6177.400000111.4K238 E239 E240 K245 K246K238-A242 WeakPolarHBondContact O-CB 3.45Å; K238-A242 PolarHBondContact O-N 3.12Å; E239-A242 WeakPolarHBondContact O-CB 3.43Å; E239-A242 PolarHBondContact O-N 2.96Å; E239-A242 VanDerWaalsContact O-N 3.13Å; E240-A242 VanDerWaalsContact C-N 3.32Å; A242-K245 PolarHBondContact O-N 2.72Å; A242-K246 WeakPolarHBondContact O-CG 3.42Å; A242-K246 PolarHBondContact O-N 2.71Å
243E86.3Confident80.9Confident117 Ų117110.9 Ų110.955%0.54754%0.536SS..Hα-helixtrans-64.1-46.5174.2-72.3-174.1167.900112E239 E240 K245 K246 Q247E239-E243 WeakPolarHBondContact O-CG 3.41Å; E239-E243 PolarHBondContact O-N 3.25Å; E240-E243 PolarHBondContact O-N 3.3Å; E243-K245 VanDerWaalsContact C-N 3.29Å; E243-K245 PolarHBondContact O-N 3.45Å; E243-K246 WeakPolarHBondContact O-CB 3.32Å; E243-K246 PolarHBondContact O-N 2.98Å; E243-K246 VanDerWaalsContact O-N 3.09Å; E243-Q247 WeakPolarHBondContact O-CG 3.39Å; E243-Q247 PolarHBondContact O-N 3.2Å
244K82.6Confident80.3Confident118 Ų118112.6 Ų112.651%0.51355%0.545SS..Hα-helixtrans-59.3-39.2175.3-73.2167.2-174.4161.40111.9E240 K248E240-K244 WeakPolarHBondContact O-CB 3.46Å; E240-K244 VanDerWaalsContact O-CG 3.26Å; E240-K244 WeakPolarHBondContact O-CG 3.49Å; E240-K244 PolarHBondContact O-N 2.98Å; E240-K244 IonicContact OE2-NZ 3.59Å; K244-K248 WeakPolarHBondContact O-CG 3.47Å; K244-K248 PolarHBondContact O-N 3.32Å; K244-K248 VanDerWaalsContact O-N 3.1Å
245K81.1Confident79.6Confident131 Ų131119.2 Ų119.257%0.5758%0.577SS**Hα-helixtrans-69.1-34.1175.2-77.4171.6-177.3161.90112.7E241 A242 E243 K249E241-K245 WeakPolarHBondContact O-CB 3.44Å; E241-K245 VanDerWaalsContact O-CG 3.31Å; E241-K245 WeakPolarHBondContact O-CG 3.48Å; E241-K245 PolarHBondContact O-N 2.86Å; E241-K245 IonicContact OE2-NZ 3.37Å; A242-K245 PolarHBondContact O-N 2.72Å; E243-K245 VanDerWaalsContact C-N 3.29Å; E243-K245 PolarHBondContact O-N 3.45Å; K245-K249 PolarHBondContact O-N 2.89Å
246K79.6Confident79Confident152 Ų152120.9 Ų120.966%0.66159%0.585SS**Hα-helixtrans-68.4-45.6174.3-75.5173.6-178.2176.30111.3A242 E243 K248 K249 S250A242-K246 WeakPolarHBondContact O-CG 3.42Å; A242-K246 PolarHBondContact O-N 2.71Å; E243-K246 WeakPolarHBondContact O-CB 3.32Å; E243-K246 PolarHBondContact O-N 2.98Å; E243-K246 VanDerWaalsContact O-N 3.09Å; K246-K248 VanDerWaalsContact C-N 3.33Å; K246-K248 PolarHBondContact O-N 3.17Å; K246-K249 PolarHBondContact O-N 2.87Å; K246-K249 VanDerWaalsContact O-N 3.08Å; K246-S250 PolarHBondContact O-N 3.37Å; K246-S250 PolarHBondContact O-OG 3.44Å
247Q74Confident78.3Confident127 Ų127120.1 Ų120.159%0.59359%0.586SS**Hα-helixtrans-61.9-38.2177.5-71.1175.23.600112.7E243 K249 S250 T251E243-Q247 WeakPolarHBondContact O-CG 3.39Å; E243-Q247 PolarHBondContact O-N 3.2Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.41Å; Q247-S250 WeakPolarHBondContact CA-OG 3.48Å; Q247-S250 PolarHBondContact O-N 3.34Å; Q247-S250 PolarHBondContact O-OG 2.9Å; Q247-T251 PolarHBondContact O-OG1 3.12Å
248K70.1Confident77.5Confident171 Ų171124.3 Ų124.374%0.74361%0.607SS**THydrogen-bonded Turntrans-69.6-18174.3-78-175.7178-176.40114.8K244 K246K244-K248 WeakPolarHBondContact O-CG 3.47Å; K244-K248 PolarHBondContact O-N 3.32Å; K244-K248 VanDerWaalsContact O-N 3.1Å; K246-K248 VanDerWaalsContact C-N 3.33Å; K246-K248 PolarHBondContact O-N 3.17Å
249K69.3Low76.8Confident183 Ų183127.2 Ų127.280%0.79663%0.625SS**THydrogen-bonded Turntrans-92.6-18.1176.3-78.8-176.5176.3-174.70113.1K245 K246 Q247K245-K249 PolarHBondContact O-N 2.89Å; K246-K249 PolarHBondContact O-N 2.87Å; K246-K249 VanDerWaalsContact O-N 3.08Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.41Å
250S59.3Low76Confident101 Ų101126.9 Ų126.971%0.70663%0.626SS**  trans-91.51176.157.20000113.6K246 Q247K246-S250 PolarHBondContact O-N 3.37Å; K246-S250 PolarHBondContact O-OG 3.44Å; Q247-S250 WeakPolarHBondContact CA-OG 3.48Å; Q247-S250 PolarHBondContact O-N 3.34Å; Q247-S250 PolarHBondContact O-OG 2.9Å
251T48.6Very low74.7Confident171 Ų171128.9 Ų128.9100%1.04964%0.639SS**  trans-113.60173.5-38.90000108.1Q247Q247-T251 PolarHBondContact O-OG1 3.12Å

Retrieved 251 of 251 residues in 567.2 ms (Link to these results)

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