A0A087XXH7_POEFO Loading...

Centrosomal protein of 76 kDa

Centrosomal protein involved in regulation of centriole duplication. Required to limit centriole duplication to once per cell cycle by preventing centriole reduplication.

AlphaFold DB , UniProt , Accession A0A087XXH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 662 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
1M39.9Very low57.7Low250 Ų250115.5 Ų115.5100%1.23263%0.633SS**  0129.40-69.2-143-89.900108.9
2C41.1Very low58.8Low136 Ų136118.8 Ų118.892%0.91964%0.637SS**PPolyproline II helixtrans-85.2146-179.8-940000112
3L45.7Very low59.8Low122 Ų122118.6 Ų118.664%0.63963%0.63SS**PPolyproline II helixtrans-63.9143.9176.2-83.9149.1000111.7
4P64.4Low60.6Low71 Ų71116.3 Ų116.346%0.46162%0.616SS.*PPolyproline II helixtrans-57.2139.1174.6-22.131.9000111.8E6 K7 A8P4-E6 PolarHBondContact O-N 3.23Å; P4-K7 PolarHBondContact O-N 3.36Å; P4-K7 VanDerWaalsContact O-N 3.13Å; P4-A8 PolarHBondContact O-N 3.36Å
5P58.8Low61.1Low110 Ų110112.7 Ų112.771%0.71460%0.596SS**Hα-helixtrans-61-30.3-172.521.1-31.4000113.6A8 S9P5-A8 PolarHBondContact O-N 3.36Å; P5-S9 PolarHBondContact O-N 3.25Å; P5-S9 VanDerWaalsContact O-N 3.07Å
6E63.5Low61.7Low164 Ų164111.8 Ų111.877%0.76659%0.587SS**Hα-helixtrans-66.1-45.3177-67170.6175.700111.8P4 A8 S9 E10P4-E6 PolarHBondContact O-N 3.23Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 3.28Å; E6-S9 PolarHBondContact O-N 3.14Å; E6-E10 PolarHBondContact O-N 3.32Å
7K58.7Low62.3Low126 Ų126110.6 Ų110.655%0.54858%0.582SS.*Hα-helixtrans-65.5-34.5175.5-73-168.4169.4-176.40112.1P4 S9 E10 L11P4-K7 PolarHBondContact O-N 3.36Å; P4-K7 VanDerWaalsContact O-N 3.13Å; K7-S9 VanDerWaalsContact C-N 3.34Å; K7-E10 PolarHBondContact O-N 3.08Å; K7-L11 WeakPolarHBondContact O-CB 3.22Å; K7-L11 WeakPolarHBondContact O-CD1 3.4Å; K7-L11 PolarHBondContact O-N 2.99Å
8A64.9Low62.5Low36 Ų36106.1 Ų106.130%0.29856%0.557SS.*Hα-helixtrans-66.7-35.3175.500000112.3P4 P5 E6 K12P4-A8 PolarHBondContact O-N 3.36Å; P5-A8 PolarHBondContact O-N 3.36Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 3.28Å; A8-K12 VanDerWaalsContact O-CG 3.29Å; A8-K12 WeakPolarHBondContact O-CG 3.41Å; A8-K12 PolarHBondContact O-N 3.49Å; A8-K12 VanDerWaalsContact O-N 3.1Å
9S64.9Low62.7Low72 Ų72102.8 Ų102.850%0.50354%0.54SS..Hα-helixtrans-69.7-42.1175.2-166.30000111.9P5 E6 K7 K12 Q13P5-S9 PolarHBondContact O-N 3.25Å; P5-S9 VanDerWaalsContact O-N 3.07Å; E6-S9 PolarHBondContact O-N 3.14Å; K7-S9 VanDerWaalsContact C-N 3.34Å; S9-K12 PolarHBondContact O-N 3.11Å; S9-Q13 PolarHBondContact O-N 3.18Å
10E67.6Low63Low129 Ų129102.6 Ų102.660%0.60354%0.539SS*.Hα-helixtrans-64.6-43.4178.2-158.7174.3-157.500111.5E6 K7 K12 Q13 I14E6-E10 PolarHBondContact O-N 3.32Å; K7-E10 PolarHBondContact O-N 3.08Å; E10-K12 PolarHBondContact O-N 3.45Å; E10-Q13 PolarHBondContact O-N 2.88Å; E10-I14 HydrophobicContact CG-CD1 4.46Å; E10-I14 VanDerWaalsContact O-CG1 3.31Å; E10-I14 WeakPolarHBondContact O-CG1 3.39Å; E10-I14 PolarHBondContact O-N 3.45Å
11L64.8Low63.3Low54 Ų54107 Ų10728%0.28355%0.548SS..Hα-helixtrans-58.4-43.7171.6-96.8145.2000112.6K7 Q13 I14 I15 F71K7-L11 WeakPolarHBondContact O-CB 3.22Å; K7-L11 WeakPolarHBondContact O-CD1 3.4Å; K7-L11 PolarHBondContact O-N 2.99Å; L11-Q13 VanDerWaalsContact C-N 3.34Å; L11-Q13 PolarHBondContact O-N 3.31Å; L11-I14 PolarHBondContact O-N 3.4Å; L11-I15 WeakPolarHBondContact O-CB 3.47Å; L11-I15 WeakPolarHBondContact O-CD1 3.38Å; L11-I15 WeakPolarHBondContact O-CG1 3.42Å; L11-I15 PolarHBondContact O-N 2.62Å; L11-F71 HydrophobicContact CD2-CD1 4.15Å; L11-F71 HydrophobicContact CD2-CE1 3.23Å; L11-F71 HydrophobicContact CD2-CE2 4.21Å; L11-F71 HydrophobicContact CD2-CZ 3.27Å; L11-F71 HydrophobicContact CG-CE1 4.32Å
12K71.1Confident64.4Low156 Ų15697.1 Ų97.168%0.67850%0.499SS*.Hα-helixtrans-62.5-40.6176.7-78.2175.4-180-177.10112A8 S9 E10 H16A8-K12 VanDerWaalsContact O-CG 3.29Å; A8-K12 WeakPolarHBondContact O-CG 3.41Å; A8-K12 PolarHBondContact O-N 3.49Å; A8-K12 VanDerWaalsContact O-N 3.1Å; S9-K12 PolarHBondContact O-N 3.11Å; E10-K12 PolarHBondContact O-N 3.45Å; K12-H16 VanDerWaalsContact O-CB 3.32Å; K12-H16 WeakPolarHBondContact O-CB 3.42Å; K12-H16 PolarHBondContact O-N 2.95Å
13Q72Confident65.6Low116 Ų11695.1 Ų95.154%0.54248%0.48SS..Hα-helixtrans-65.3-42.5177.8-159.883.423.700111.5S9 E10 L11 H16 N17S9-Q13 PolarHBondContact O-N 3.18Å; E10-Q13 PolarHBondContact O-N 2.88Å; L11-Q13 VanDerWaalsContact C-N 3.34Å; L11-Q13 PolarHBondContact O-N 3.31Å; Q13-H16 PolarHBondContact O-N 3.4Å; Q13-N17 PolarHBondContact O-N 2.69Å
14I71.6Confident66.5Low86 Ų8689.8 Ų89.844%0.44145%0.452SS..Hα-helixtrans-64-46.4178-68.3166000110.5E10 L11 H16 N17 H18E10-I14 HydrophobicContact CG-CD1 4.46Å; E10-I14 VanDerWaalsContact O-CG1 3.31Å; E10-I14 WeakPolarHBondContact O-CG1 3.39Å; E10-I14 PolarHBondContact O-N 3.45Å; L11-I14 PolarHBondContact O-N 3.4Å; I14-H16 VanDerWaalsContact C-N 3.34Å; I14-H16 PolarHBondContact O-N 3.03Å; I14-N17 PolarHBondContact O-N 2.73Å; I14-H18 WeakPolarHBondContact O-CB 3.49Å; I14-H18 PolarHBondContact O-N 3.2Å
15I68.1Low66.5Low62 Ų6290.3 Ų90.332%0.31845%0.448SS..Hα-helixtrans-61.1-44.7176.7-67.5164.8000110.3L11 H18 L19 L69L11-I15 WeakPolarHBondContact O-CB 3.47Å; L11-I15 WeakPolarHBondContact O-CD1 3.38Å; L11-I15 WeakPolarHBondContact O-CG1 3.42Å; L11-I15 PolarHBondContact O-N 2.62Å; I15-H18 PolarHBondContact O-N 3.31Å; I15-L19 HydrophobicContact CG2-CD1 3.86Å; I15-L19 HydrophobicContact CG2-CG 4.29Å; I15-L19 VanDerWaalsContact O-CG 3.26Å; I15-L19 WeakPolarHBondContact O-CG 3.34Å; I15-L19 PolarHBondContact O-N 3.44Å; I15-L69 HydrophobicContact CG1-CD2 4.27Å
16H70.7Confident67Low98 Ų9885.8 Ų85.845%0.45442%0.422SS..Hα-helixtrans-62.5-46.3-179.9-171.672.7000112.7K12 Q13 I14 H18 L19 L20K12-H16 VanDerWaalsContact O-CB 3.32Å; K12-H16 WeakPolarHBondContact O-CB 3.42Å; K12-H16 PolarHBondContact O-N 2.95Å; Q13-H16 PolarHBondContact O-N 3.4Å; I14-H16 VanDerWaalsContact C-N 3.34Å; I14-H16 PolarHBondContact O-N 3.03Å; H16-H18 VanDerWaalsContact C-N 3.3Å; H16-H18 PolarHBondContact O-N 3.11Å; H16-L19 PolarHBondContact O-N 3.02Å; H16-L20 PolarHBondContact O-N 2.66Å; H16-L20 VanDerWaalsContact O-N 3.15Å
17N70.6Confident67.3Low93 Ų9382.4 Ų82.450%0.49740%0.402SS..Hα-helixtrans-64.6-35.1176.2-77.8-21.2000112.2Q13 I14 L20 R21Q13-N17 PolarHBondContact O-N 2.69Å; I14-N17 PolarHBondContact O-N 2.73Å; N17-L20 PolarHBondContact O-N 3.36Å; N17-R21 PolarHBondContact O-N 2.98Å; N17-R21 VanDerWaalsContact O-N 3.09Å
18H66.5Low67.7Low29 Ų2978.4 Ų78.413%0.13439%0.386CS..Hα-helixtrans-69.2-41.2177.6-163-96.4000112.3I14 I15 H16 L20 R21 M22I14-H18 WeakPolarHBondContact O-CB 3.49Å; I14-H18 PolarHBondContact O-N 3.2Å; I15-H18 PolarHBondContact O-N 3.31Å; H16-H18 VanDerWaalsContact C-N 3.3Å; H16-H18 PolarHBondContact O-N 3.11Å; H18-L20 VanDerWaalsContact C-N 3.3Å; H18-L20 PolarHBondContact O-N 2.67Å; H18-R21 PolarHBondContact NE2-NH2 3.41Å; H18-R21 VanDerWaalsContact NE2-NH2 3.13Å; H18-R21 PolarHBondContact O-N 3.45Å; H18-M22 PolarHBondContact CE1-SD 2.94Å; H18-M22 PolarHBondContact O-N 3.06Å; H18-M22 VanDerWaalsContact O-N 3.16Å
19L67.1Low68Low43 Ų4384.7 Ų84.723%0.22540%0.402CS..Hα-helixtrans-63-35.5175.8-71.3171.8000112.5I15 H16 V24 V65I15-L19 HydrophobicContact CG2-CD1 3.86Å; I15-L19 HydrophobicContact CG2-CG 4.29Å; I15-L19 VanDerWaalsContact O-CG 3.26Å; I15-L19 WeakPolarHBondContact O-CG 3.34Å; I15-L19 PolarHBondContact O-N 3.44Å; H16-L19 PolarHBondContact O-N 3.02Å; L19-V24 HydrophobicContact CD2-CB 4.22Å; L19-V24 HydrophobicContact CD2-CG1 4.21Å; L19-V24 HydrophobicContact CD2-CG2 4.06Å; L19-V24 PolarHBondContact O-N 3.4Å; L19-V65 HydrophobicContact CD2-CG1 4.03Å; L19-V65 HydrophobicContact CD2-CG2 4.4Å
20L68.9Low68.2Low99 Ų9987.5 Ų87.552%0.51841%0.407SS..Hα-helixtrans-67.7-41.9172.4-75.8166.3000112.1H16 N17 H18 M22 D23H16-L20 PolarHBondContact O-N 2.66Å; H16-L20 VanDerWaalsContact O-N 3.15Å; N17-L20 PolarHBondContact O-N 3.36Å; H18-L20 VanDerWaalsContact C-N 3.3Å; H18-L20 PolarHBondContact O-N 2.67Å; L20-M22 VanDerWaalsContact C-N 3.3Å; L20-M22 PolarHBondContact O-N 3.42Å; L20-D23 PolarHBondContact O-N 3.18Å
21R67.8Low68.3Low194 Ų19481.6 Ų81.673%0.73238%0.38SS*.Hα-helixtrans-63.9-32.9-179.4-167.1179.573.11651.1113.2N17 H18 D23N17-R21 PolarHBondContact O-N 2.98Å; N17-R21 VanDerWaalsContact O-N 3.09Å; H18-R21 PolarHBondContact NE2-NH2 3.41Å; H18-R21 VanDerWaalsContact NE2-NH2 3.13Å; H18-R21 PolarHBondContact O-N 3.45Å; R21-D23 VanDerWaalsContact C-N 3.33Å
22M63Low68.3Low43 Ų4382.5 Ų82.521%0.21239%0.385CS..THydrogen-bonded Turntrans-88.85.9-178.7-71.5-177.481.500114H18 L20 V24 D68H18-M22 PolarHBondContact CE1-SD 2.94Å; H18-M22 PolarHBondContact O-N 3.06Å; H18-M22 VanDerWaalsContact O-N 3.16Å; L20-M22 VanDerWaalsContact C-N 3.3Å; L20-M22 PolarHBondContact O-N 3.42Å; M22-V24 HydrophobicContact CB-CG2 3.62Å; M22-V24 PolarHBondContact O-N 3.43Å; M22-V24 VanDerWaalsContact O-N 3.09Å; M22-D68 HydrophobicContact CE-CB 4.43Å; M22-D68 WeakPolarHBondContact CE-OD2 3.47Å; M22-D68 HydrophobicContact SD-CB 4.4Å
23D66.6Low68.2Low95 Ų9577.6 Ų77.651%0.50837%0.373SS..THydrogen-bonded Turntrans44.938.3-172.7-165.324.4000113.5L20 R21 H25 G26 R27L20-D23 PolarHBondContact O-N 3.18Å; R21-D23 VanDerWaalsContact C-N 3.33Å; D23-H25 PolarHBondContact O-N 3.12Å; D23-G26 WeakPolarHBondContact O-CA 3.49Å; D23-G26 PolarHBondContact O-N 3.22Å; D23-G26 WeakPolarHBondContact OD1-CA 3.45Å; D23-G26 PolarHBondContact OD1-N 3.32Å; D23-G26 VanDerWaalsContact OD1-N 3.1Å; D23-R27 PolarHBondContact O-N 3.22Å
24V65.7Low67.8Low10 Ų1076.2 Ų76.26%0.06137%0.367CS..Hα-helixtrans-62.7-33.5-177.8179.50000109.9L19 M22 R27 I28 I61 V65L19-V24 HydrophobicContact CD2-CB 4.22Å; L19-V24 HydrophobicContact CD2-CG1 4.21Å; L19-V24 HydrophobicContact CD2-CG2 4.06Å; L19-V24 PolarHBondContact O-N 3.4Å; M22-V24 HydrophobicContact CB-CG2 3.62Å; M22-V24 PolarHBondContact O-N 3.43Å; M22-V24 VanDerWaalsContact O-N 3.09Å; V24-R27 PolarHBondContact O-N 3.22Å; V24-I28 HydrophobicContact CG1-CD1 3.77Å; V24-I28 HydrophobicContact CG1-CG1 4.24Å; V24-I28 VanDerWaalsContact O-CB 3.29Å; V24-I28 WeakPolarHBondContact O-CB 3.43Å; V24-I28 WeakPolarHBondContact O-CG1 3.43Å; V24-I28 PolarHBondContact O-N 3.48Å; V24-I61 HydrophobicContact CG1-CG2 4.44Å; V24-V65 HydrophobicContact CG1-CG2 4.41Å; V24-V65 HydrophobicContact CG2-CG2 3.84Å
25H63.9Low67.3Low82 Ų8274 Ų7438%0.3836%0.358SS..Hα-helixtrans-68.4-30.1174.5-67.8-71.5000113.5D23 R29D23-H25 PolarHBondContact O-N 3.12Å; H25-R29 WeakPolarHBondContact O-CG 3.49Å; H25-R29 PolarHBondContact O-N 3.02Å; H25-R29 PolarHBondContact O-NE 3.13Å
26G69.9Low67Low15 Ų1576.2 Ų76.216%0.15537%0.369CS..Hα-helixtrans-67.4-49169.100000111.7D23 I28 R29 E30D23-G26 WeakPolarHBondContact O-CA 3.49Å; D23-G26 PolarHBondContact O-N 3.22Å; D23-G26 WeakPolarHBondContact OD1-CA 3.45Å; D23-G26 PolarHBondContact OD1-N 3.32Å; D23-G26 VanDerWaalsContact OD1-N 3.1Å; G26-I28 PolarHBondContact O-N 3.02Å; G26-R29 WeakPolarHBondContact O-CA 3.39Å; G26-R29 WeakPolarHBondContact O-CB 3.38Å; G26-R29 PolarHBondContact O-N 3.47Å; G26-E30 PolarHBondContact O-N 3.38Å
27R68.4Low66.4Low93 Ų9379.3 Ų79.335%0.35138%0.381SS..Hα-helixtrans-63.8-37.4178.6-62.8179.276.5-172.81112.8D23 V24 R29 E30 V31 I61 D64D23-R27 PolarHBondContact O-N 3.22Å; V24-R27 PolarHBondContact O-N 3.22Å; R27-R29 VanDerWaalsContact C-N 3.34Å; R27-E30 PolarHBondContact O-N 3.49Å; R27-V31 WeakPolarHBondContact O-CG2 3.43Å; R27-V31 PolarHBondContact O-N 3.41Å; R27-V31 VanDerWaalsContact O-N 3.12Å; R27-I61 HydrophobicContact CB-CD1 4.47Å; R27-D64 IonicContact NH1-OD2 3.76Å
28I68.4Low65.7Low42 Ų4281.7 Ų81.722%0.21539%0.394CS..Hα-helixtrans-63.1-40.1172.4-75.4171.7000110.9V24 G26 V31 L32 F52 L56V24-I28 HydrophobicContact CG1-CD1 3.77Å; V24-I28 HydrophobicContact CG1-CG1 4.24Å; V24-I28 VanDerWaalsContact O-CB 3.29Å; V24-I28 WeakPolarHBondContact O-CB 3.43Å; V24-I28 WeakPolarHBondContact O-CG1 3.43Å; V24-I28 PolarHBondContact O-N 3.48Å; G26-I28 PolarHBondContact O-N 3.02Å; I28-V31 PolarHBondContact O-N 2.94Å; I28-L32 HydrophobicContact CG2-CD1 4.13Å; I28-L32 PolarHBondContact O-N 2.96Å; I28-F52 HydrophobicContact CG2-CE1 4.08Å; I28-F52 HydrophobicContact CG2-CZ 3.81Å; I28-L56 HydrophobicContact CG1-CD1 4.43Å; I28-L56 HydrophobicContact CG1-CD2 4.08Å
29R69.9Low65.2Low167 Ų16783.9 Ų83.963%0.6341%0.406SS*.Hα-helixtrans-68.3-37.7177-84.1-177.5-72.8-152.31.7113H25 G26 R27 L32 A33H25-R29 WeakPolarHBondContact O-CG 3.49Å; H25-R29 PolarHBondContact O-N 3.02Å; H25-R29 PolarHBondContact O-NE 3.13Å; G26-R29 WeakPolarHBondContact O-CA 3.39Å; G26-R29 WeakPolarHBondContact O-CB 3.38Å; G26-R29 PolarHBondContact O-N 3.47Å; R27-R29 VanDerWaalsContact C-N 3.34Å; R29-L32 PolarHBondContact O-N 3.1Å; R29-A33 WeakPolarHBondContact O-CB 3.29Å; R29-A33 PolarHBondContact O-N 3.38Å
30E70.4Confident64.5Low131 Ų13190.8 Ų90.861%0.61244%0.437SS*.Hα-helixtrans-61.4-45.6172-84.4-178155.700111.7G26 R27 L32 A33 E34G26-E30 PolarHBondContact O-N 3.38Å; R27-E30 PolarHBondContact O-N 3.49Å; E30-L32 VanDerWaalsContact C-N 3.31Å; E30-L32 PolarHBondContact O-N 3Å; E30-A33 PolarHBondContact O-N 3.25Å; E30-E34 PolarHBondContact O-N 2.85Å
31V67.9Low63.9Low5 Ų589.4 Ų89.43%0.0345%0.447CS..Hα-helixtrans-62.4-40178.2174.80000111.1R27 I28 T35 F52 A55 L56 I61R27-V31 WeakPolarHBondContact O-CG2 3.43Å; R27-V31 PolarHBondContact O-N 3.41Å; R27-V31 VanDerWaalsContact O-N 3.12Å; I28-V31 PolarHBondContact O-N 2.94Å; V31-T35 PolarHBondContact O-N 3.19Å; V31-T35 PolarHBondContact O-OG1 3.25Å; V31-F52 HydrophobicContact CG1-CE2 3.98Å; V31-A55 HydrophobicContact CG1-CB 4.45Å; V31-L56 HydrophobicContact CB-CD2 4.49Å; V31-L56 HydrophobicContact CG1-CD2 4.4Å; V31-L56 HydrophobicContact CG2-CD2 4.38Å; V31-I61 HydrophobicContact CG2-CD1 4.08Å
32L66.1Low63Low74 Ų7484.3 Ų84.339%0.38744%0.442SS..Hα-helixtrans-64.2-42.8173.4-100.3146000112.6I28 R29 E30 E34 T35 I36 F52I28-L32 HydrophobicContact CG2-CD1 4.13Å; I28-L32 PolarHBondContact O-N 2.96Å; R29-L32 PolarHBondContact O-N 3.1Å; E30-L32 VanDerWaalsContact C-N 3.31Å; E30-L32 PolarHBondContact O-N 3Å; L32-E34 VanDerWaalsContact C-N 3.34Å; L32-E34 PolarHBondContact O-N 3.16Å; L32-T35 WeakPolarHBondContact CA-OG1 3.15Å; L32-T35 PolarHBondContact O-N 3.45Å; L32-T35 PolarHBondContact O-OG1 3.04Å; L32-I36 HydrophobicContact CD2-CD1 4.5Å; L32-I36 WeakPolarHBondContact O-CD1 3.26Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.94Å; L32-I36 VanDerWaalsContact O-N 3.11Å; L32-F52 HydrophobicContact CD1-CE1 4.45Å; L32-F52 HydrophobicContact CD1-CE2 3.99Å; L32-F52 HydrophobicContact CD1-CZ 3.69Å; L32-F52 HydrophobicContact CG-CE2 3.66Å; L32-F52 HydrophobicContact CG-CZ 3.92Å
33A67.6Low62.3Low52 Ų5289.1 Ų89.143%0.4347%0.473SS..Hα-helixtrans-67.4-34.2179.400000112.6R29 E30 K37R29-A33 WeakPolarHBondContact O-CB 3.29Å; R29-A33 PolarHBondContact O-N 3.38Å; E30-A33 PolarHBondContact O-N 3.25Å; A33-K37 WeakPolarHBondContact O-CG 3.31Å; A33-K37 PolarHBondContact O-N 3.29Å
34E63.7Low61.5Low87 Ų8793.4 Ų93.441%0.40749%0.489SS..Hα-helixtrans-74.2-40.9174.7-73.3-179.4170.900112.3E30 L32 I36 K37 D38 R59E30-E34 PolarHBondContact O-N 2.85Å; L32-E34 VanDerWaalsContact C-N 3.34Å; L32-E34 PolarHBondContact O-N 3.16Å; E34-I36 PolarHBondContact O-N 3.38Å; E34-K37 PolarHBondContact O-N 3.09Å; E34-K37 VanDerWaalsContact O-N 3.14Å; E34-D38 PolarHBondContact O-N 3.32Å; E34-D38 VanDerWaalsContact O-N 3.08Å; E34-R59 IonicContact OE2-CZ 3.16Å; E34-R59 IonicContact OE2-NH1 3.94Å; E34-R59 PolarHBondContact OE2-NH1 3.44Å; E34-R59 IonicContact OE2-NH2 2.69Å; E34-R59 PolarHBondContact OE2-NH2 3.25Å
35T63Low61Low41 Ų41103 Ų10325%0.25253%0.525SS..Hα-helixtrans-67.5-23.8176.9290000113.4V31 L32V31-T35 PolarHBondContact O-N 3.19Å; V31-T35 PolarHBondContact O-OG1 3.25Å; L32-T35 WeakPolarHBondContact CA-OG1 3.15Å; L32-T35 PolarHBondContact O-N 3.45Å; L32-T35 PolarHBondContact O-OG1 3.04Å
36I61Low60.7Low108 Ų108105 Ų10555%0.55455%0.545SS*.Hα-helixtrans-80.4-32.1172.1-66165.5000111.5L32 E34 D39L32-I36 HydrophobicContact CD2-CD1 4.5Å; L32-I36 WeakPolarHBondContact O-CD1 3.26Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.94Å; L32-I36 VanDerWaalsContact O-N 3.11Å; E34-I36 PolarHBondContact O-N 3.38Å; I36-D39 PolarHBondContact O-N 2.86Å
37K58Low60.1Low162 Ų162109.4 Ų109.470%0.70456%0.564SS**Hα-helixtrans-72.6-30.8177.3-81.6179.7176.6-179.10113.5A33 E34 D39A33-K37 WeakPolarHBondContact O-CG 3.31Å; A33-K37 PolarHBondContact O-N 3.29Å; E34-K37 PolarHBondContact O-N 3.09Å; E34-K37 VanDerWaalsContact O-N 3.14Å; K37-D39 PolarHBondContact O-N 3.42Å
38D56.3Low60.2Low144 Ų144107.8 Ų107.877%0.7757%0.567SS**THydrogen-bonded Turntrans-73.5-8.4174.6-79.2-16.9000113.2E34E34-D38 PolarHBondContact O-N 3.32Å; E34-D38 VanDerWaalsContact O-N 3.08Å
39D55.2Low60Low75 Ų75114.2 Ų114.240%0.40160%0.596SS.*THydrogen-bonded Turntrans-98.1-0.9-174.6-150.332.6000114.1I36 K37 G41I36-D39 PolarHBondContact O-N 2.86Å; K37-D39 PolarHBondContact O-N 3.42Å; D39-G41 PolarHBondContact O-N 3.12Å
40E52.5Low60Low187 Ų187107.9 Ų107.987%0.87458%0.583SS**SBendtrans-75.91.2176.3-73.3-165155.100113.9
41G56.9Low59.8Low71 Ų71104.8 Ų104.873%0.73257%0.571SS**SBendtrans-111.4-17.8-172.300000118.1D39D39-G41 PolarHBondContact O-N 3.12Å
42S48.8Very low60Low87 Ų87107 Ų10761%0.60858%0.58SS**SBendtrans-162.6123.1179.769.80000114.8
43V47.5Very low60.2Low144 Ų144106.8 Ų106.887%0.87358%0.582SS**  trans33.6101.4155.8-169.30000117R45V43-R45 PolarHBondContact O-N 3.26Å
44H51.3Low60.5Low184 Ų184110.7 Ų110.785%0.85259%0.586SS**  trans-36.1115.2177.6-65-61.9000116.8
45R54.1Low60.8Low212 Ų212107.8 Ų107.880%0.858%0.576SS**  trans-132.2120.4157.5-163.7-178.9-164.1-176.24.5109.1V43 L47V43-R45 PolarHBondContact O-N 3.26Å; R45-L47 PolarHBondContact O-N 2.98Å
46P56.9Low61.1Low125 Ų125106.7 Ų106.781%0.81257%0.569SS**PPolyproline II helixtrans-65.8125.2178.425.5-31.2000110.1S48P46-S48 PolarHBondContact O-N 2.88Å
47L59.2Low61.6Low107 Ų107106.5 Ų106.556%0.5657%0.565SS**PPolyproline II helixtrans-61.2128.8178.3-74.3159.6000110.4R45 D51R45-L47 PolarHBondContact O-N 2.98Å; L47-D51 HydrophobicContact CD2-CB 4.44Å
48S69.7Low62.3Low58 Ų58109.5 Ų109.541%0.40657%0.572SS.*PPolyproline II helixtrans-83.6152.9177.377.50000111.6P46 G50 D51 F52P46-S48 PolarHBondContact O-N 2.88Å; S48-G50 PolarHBondContact O-N 3.49Å; S48-G50 VanDerWaalsContact O-N 3.11Å; S48-D51 PolarHBondContact N-OD2 2.96Å; S48-D51 WeakPolarHBondContact O-CB 3.44Å; S48-D51 PolarHBondContact O-N 3.5Å; S48-D51 VanDerWaalsContact OG-CG 3.29Å; S48-D51 PolarHBondContact OG-N 3.1Å; S48-D51 PolarHBondContact OG-OD2 3Å; S48-F52 PolarHBondContact O-N 3.09Å
49E64.3Low62.9Low177 Ų177109.1 Ų109.183%0.82756%0.56SS**Hα-helixtrans-53-34.3175.1-69.3-176.7163.400112.3F52 V53E49-F52 PolarHBondContact O-N 3.19Å; E49-V53 WeakPolarHBondContact O-CG2 3.32Å; E49-V53 PolarHBondContact O-N 3.15Å
50G68.8Low63.7Low35 Ų35106.4 Ų106.436%0.36155%0.55SS..Hα-helixtrans-68.1-31.717700000114S48 R54S48-G50 PolarHBondContact O-N 3.49Å; S48-G50 VanDerWaalsContact O-N 3.11Å; G50-R54 WeakPolarHBondContact O-CG 3.27Å; G50-R54 PolarHBondContact O-N 3.38Å; G50-R54 PolarHBondContact O-NE 2.97Å
51D68.1Low64.6Low66 Ų6697.9 Ų97.935%0.35351%0.51SS..Hα-helixtrans-71.5-37.1174.1-62.6-46.8000111L47 S48 R54 A55L47-D51 HydrophobicContact CD2-CB 4.44Å; S48-D51 PolarHBondContact N-OD2 2.96Å; S48-D51 WeakPolarHBondContact O-CB 3.44Å; S48-D51 PolarHBondContact O-N 3.5Å; S48-D51 VanDerWaalsContact OG-CG 3.29Å; S48-D51 PolarHBondContact OG-N 3.1Å; S48-D51 PolarHBondContact OG-OD2 3Å; D51-R54 PolarHBondContact O-N 3.45Å; D51-R54 IonicContact OD1-CZ 2.73Å; D51-R54 IonicContact OD1-NE 2.67Å; D51-R54 IonicContact OD1-NH2 3.62Å; D51-R54 PolarHBondContact OD1-NH2 3.25Å; D51-A55 PolarHBondContact O-N 2.59Å
52F70.5Confident65.1Low51 Ų5197 Ų9722%0.22449%0.488CS..Hα-helixtrans-65.8-45.3176.7-169.2-111.7000112.5I28 V31 L32 S48 E49 R54 A55 L56I28-F52 HydrophobicContact CG2-CE1 4.08Å; I28-F52 HydrophobicContact CG2-CZ 3.81Å; V31-F52 HydrophobicContact CG1-CE2 3.98Å; L32-F52 HydrophobicContact CD1-CE1 4.45Å; L32-F52 HydrophobicContact CD1-CE2 3.99Å; L32-F52 HydrophobicContact CD1-CZ 3.69Å; L32-F52 HydrophobicContact CG-CE2 3.66Å; L32-F52 HydrophobicContact CG-CZ 3.92Å; S48-F52 PolarHBondContact O-N 3.09Å; E49-F52 PolarHBondContact O-N 3.19Å; F52-R54 VanDerWaalsContact C-N 3.3Å; F52-R54 PolarHBondContact O-N 3.16Å; F52-A55 WeakPolarHBondContact O-CB 3.32Å; F52-A55 PolarHBondContact O-N 3.5Å; F52-A55 VanDerWaalsContact O-N 3.13Å; F52-L56 HydrophobicContact CD1-CD1 3.92Å; F52-L56 HydrophobicContact CD1-CG 4.49Å; F52-L56 HydrophobicContact CE1-CD1 3.57Å; F52-L56 HydrophobicContact CE1-CG 4.18Å; F52-L56 HydrophobicContact CZ-CD1 4.15Å; F52-L56 HydrophobicContact CZ-CD2 4.35Å; F52-L56 HydrophobicContact CZ-CG 4.32Å; F52-L56 WeakPolarHBondContact O-CG 3.22Å; F52-L56 PolarHBondContact O-N 2.93Å
53V71.4Confident66.1Low69 Ų6997.2 Ų97.242%0.41848%0.482SS..Hα-helixtrans-61-40.1176.2173.20000111.2E49 A55 L56 Q57 I62E49-V53 WeakPolarHBondContact O-CG2 3.32Å; E49-V53 PolarHBondContact O-N 3.15Å; V53-A55 PolarHBondContact O-N 3.46Å; V53-L56 PolarHBondContact O-N 3.3Å; V53-Q57 WeakPolarHBondContact O-CG 3.26Å; V53-Q57 PolarHBondContact O-N 3.43Å; V53-I62 HydrophobicContact CG1-CD1 4.22Å
54R73.1Confident67.1Low135 Ų13592.6 Ų92.651%0.50945%0.453SS..Hα-helixtrans-64-38.2174.7-77.5-173.2-75.6-116.42.8112.7G50 D51 F52 Q57 R58G50-R54 WeakPolarHBondContact O-CG 3.27Å; G50-R54 PolarHBondContact O-N 3.38Å; G50-R54 PolarHBondContact O-NE 2.97Å; D51-R54 PolarHBondContact O-N 3.45Å; D51-R54 IonicContact OD1-CZ 2.73Å; D51-R54 IonicContact OD1-NE 2.67Å; D51-R54 IonicContact OD1-NH2 3.62Å; D51-R54 PolarHBondContact OD1-NH2 3.25Å; F52-R54 VanDerWaalsContact C-N 3.3Å; F52-R54 PolarHBondContact O-N 3.16Å; R54-Q57 PolarHBondContact O-N 2.93Å; R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.42Å
55A69.8Low67.8Low26 Ų2684.9 Ų84.922%0.21542%0.419CS..Hα-helixtrans-64.3-40.8175.700000111.8V31 D51 F52 V53 R58 R59V31-A55 HydrophobicContact CG1-CB 4.45Å; D51-A55 PolarHBondContact O-N 2.59Å; F52-A55 WeakPolarHBondContact O-CB 3.32Å; F52-A55 PolarHBondContact O-N 3.5Å; F52-A55 VanDerWaalsContact O-N 3.13Å; V53-A55 PolarHBondContact O-N 3.46Å; A55-R58 PolarHBondContact O-N 2.98Å; A55-R59 PolarHBondContact O-N 3.24Å
56L70.5Confident68.2Low17 Ų1781 Ų819%0.08941%0.411CS..Hα-helixtrans-66.5-39175.4-67.8174.4000112.8I28 V31 F52 V53 R59 G60 I61 I62I28-L56 HydrophobicContact CG1-CD1 4.43Å; I28-L56 HydrophobicContact CG1-CD2 4.08Å; V31-L56 HydrophobicContact CB-CD2 4.49Å; V31-L56 HydrophobicContact CG1-CD2 4.4Å; V31-L56 HydrophobicContact CG2-CD2 4.38Å; F52-L56 HydrophobicContact CD1-CD1 3.92Å; F52-L56 HydrophobicContact CD1-CG 4.49Å; F52-L56 HydrophobicContact CE1-CD1 3.57Å; F52-L56 HydrophobicContact CE1-CG 4.18Å; F52-L56 HydrophobicContact CZ-CD1 4.15Å; F52-L56 HydrophobicContact CZ-CD2 4.35Å; F52-L56 HydrophobicContact CZ-CG 4.32Å; F52-L56 WeakPolarHBondContact O-CG 3.22Å; F52-L56 PolarHBondContact O-N 2.93Å; V53-L56 PolarHBondContact O-N 3.3Å; L56-R59 PolarHBondContact O-N 3.37Å; L56-G60 PolarHBondContact O-N 3.4Å; L56-I61 HydrophobicContact CD2-CD1 3.9Å; L56-I61 PolarHBondContact O-N 2.77Å; L56-I62 HydrophobicContact CB-CD1 3.77Å; L56-I62 HydrophobicContact CB-CG1 4.22Å
57Q70.7Confident68.5Low104 Ų10482.2 Ų82.249%0.48640%0.4SS..Hα-helixtrans-65.7-45.2174.4-73.4-178.6-27.200111.6V53 R54 R59 G60 I62V53-Q57 WeakPolarHBondContact O-CG 3.26Å; V53-Q57 PolarHBondContact O-N 3.43Å; R54-Q57 PolarHBondContact O-N 2.93Å; Q57-R59 PolarHBondContact O-N 3.36Å; Q57-G60 PolarHBondContact O-N 3.22Å; Q57-I62 HydrophobicContact CB-CD1 4.42Å; Q57-I62 HydrophobicContact CG-CB 4.3Å; Q57-I62 HydrophobicContact CG-CD1 3.43Å; Q57-I62 VanDerWaalsContact CG-CD1 3.43Å; Q57-I62 HydrophobicContact CG-CG1 4.42Å
58R73.4Confident68.3Low226 Ų22681.4 Ų81.485%0.85340%0.396SS*.Hα-helixtrans-59.4-32178.1-80-175.8-178.9-1771.6113.3R54 A55 G60R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.42Å; A55-R58 PolarHBondContact O-N 2.98Å; R58-G60 VanDerWaalsContact C-N 3.27Å
59R69.3Low67.5Low135 Ų13580.7 Ų80.751%0.50939%0.387SS..THydrogen-bonded Turntrans-86.15.6176.9-68-168.3-179.5-153.94.4113.5E34 A55 L56 Q57 I61E34-R59 IonicContact OE2-CZ 3.16Å; E34-R59 IonicContact OE2-NH1 3.94Å; E34-R59 PolarHBondContact OE2-NH1 3.44Å; E34-R59 IonicContact OE2-NH2 2.69Å; E34-R59 PolarHBondContact OE2-NH2 3.25Å; A55-R59 PolarHBondContact O-N 3.24Å; L56-R59 PolarHBondContact O-N 3.37Å; Q57-R59 PolarHBondContact O-N 3.36Å; R59-I61 HydrophobicContact CB-CD1 4.1Å; R59-I61 HydrophobicContact CB-CG1 4.08Å; R59-I61 PolarHBondContact O-N 3.04Å; R59-I61 VanDerWaalsContact O-N 3.16Å
60G70.7Confident66.6Low18 Ų1879.7 Ų79.719%0.18638%0.382CS..THydrogen-bonded Turntrans68.97.6177.500000114.6L56 Q57 R58 I62 D63 D64L56-G60 PolarHBondContact O-N 3.4Å; Q57-G60 PolarHBondContact O-N 3.22Å; R58-G60 VanDerWaalsContact C-N 3.27Å; G60-I62 VanDerWaalsContact C-N 3.33Å; G60-I62 PolarHBondContact O-N 2.82Å; G60-D63 PolarHBondContact O-N 3.01Å; G60-D64 WeakPolarHBondContact O-CB 3.29Å; G60-D64 VanDerWaalsContact O-CG 3.25Å; G60-D64 PolarHBondContact O-N 3.35Å
61I72.2Confident65.4Low9 Ų983.8 Ų83.85%0.04639%0.39CS..Hα-helixtrans-67.5-38.2-174.8-59.7173000110.3V24 R27 V31 L56 R59 V65V24-I61 HydrophobicContact CG1-CG2 4.44Å; R27-I61 HydrophobicContact CB-CD1 4.47Å; V31-I61 HydrophobicContact CG2-CD1 4.08Å; L56-I61 HydrophobicContact CD2-CD1 3.9Å; L56-I61 PolarHBondContact O-N 2.77Å; R59-I61 HydrophobicContact CB-CD1 4.1Å; R59-I61 HydrophobicContact CB-CG1 4.08Å; R59-I61 PolarHBondContact O-N 3.04Å; R59-I61 VanDerWaalsContact O-N 3.16Å; I61-V65 VanDerWaalsContact O-CG2 3.31Å; I61-V65 WeakPolarHBondContact O-CG2 3.06Å; I61-V65 PolarHBondContact O-N 2.75Å; I61-V65 VanDerWaalsContact O-N 3.12Å
62I67.1Low63.7Low53 Ų5387.1 Ų87.127%0.27241%0.413SS..Hα-helixtrans-68.5-40.2176.6-73163000110.9V53 L56 Q57 G60 V65 M66V53-I62 HydrophobicContact CG1-CD1 4.22Å; L56-I62 HydrophobicContact CB-CD1 3.77Å; L56-I62 HydrophobicContact CB-CG1 4.22Å; Q57-I62 HydrophobicContact CB-CD1 4.42Å; Q57-I62 HydrophobicContact CG-CB 4.3Å; Q57-I62 HydrophobicContact CG-CD1 3.43Å; Q57-I62 VanDerWaalsContact CG-CD1 3.43Å; Q57-I62 HydrophobicContact CG-CG1 4.42Å; G60-I62 VanDerWaalsContact C-N 3.33Å; G60-I62 PolarHBondContact O-N 2.82Å; I62-V65 PolarHBondContact O-N 2.96Å; I62-M66 HydrophobicContact CG2-CG 4.49Å; I62-M66 WeakPolarHBondContact O-CB 3.47Å; I62-M66 VanDerWaalsContact O-CG 3.27Å; I62-M66 WeakPolarHBondContact O-CG 3.42Å; I62-M66 PolarHBondContact O-N 3.3Å
63D69.5Low61.8Low90 Ų9093.6 Ų93.648%0.48144%0.444SS..Hα-helixtrans-70.4-34.3179.1-61.8-44.6000112.1G60 M66 R67G60-D63 PolarHBondContact O-N 3.01Å; D63-M66 PolarHBondContact O-N 2.96Å; D63-R67 VanDerWaalsContact O-CB 3.26Å; D63-R67 WeakPolarHBondContact O-CB 3.44Å; D63-R67 PolarHBondContact O-N 3.42Å
64D68.3Low59.8Low48 Ų4899.7 Ų99.726%0.25747%0.468SS..Hα-helixtrans-66.6-42.7173.8-72.8-13.8000111.4R27 G60 R67 D68R27-D64 IonicContact NH1-OD2 3.76Å; G60-D64 WeakPolarHBondContact O-CB 3.29Å; G60-D64 VanDerWaalsContact O-CG 3.25Å; G60-D64 PolarHBondContact O-N 3.35Å; D64-R67 PolarHBondContact O-N 3.36Å; D64-R67 IonicContact OD1-CZ 2.7Å; D64-R67 IonicContact OD1-NH2 3.19Å; D64-R67 PolarHBondContact OD1-NH2 2.95Å; D64-D68 PolarHBondContact O-N 2.99Å
65V65.6Low57.5Low22 Ų2299 Ų9913%0.13348%0.484CS..Hα-helixtrans-63.9-41.5175.1171.20000111.3L19 V24 I61 I62 L69L19-V65 HydrophobicContact CD2-CG1 4.03Å; L19-V65 HydrophobicContact CD2-CG2 4.4Å; V24-V65 HydrophobicContact CG1-CG2 4.41Å; V24-V65 HydrophobicContact CG2-CG2 3.84Å; I61-V65 VanDerWaalsContact O-CG2 3.31Å; I61-V65 WeakPolarHBondContact O-CG2 3.06Å; I61-V65 PolarHBondContact O-N 2.75Å; I61-V65 VanDerWaalsContact O-N 3.12Å; I62-V65 PolarHBondContact O-N 2.96Å; V65-L69 HydrophobicContact CG1-CD1 3.92Å; V65-L69 WeakPolarHBondContact O-CD1 3.33Å; V65-L69 WeakPolarHBondContact O-CG 3.22Å; V65-L69 PolarHBondContact O-N 3.43Å
66M63.5Low55.4Low129 Ų129102.3 Ų102.364%0.63551%0.511SS*.Hα-helixtrans-70.5-30.7179.7-73.5-64.6-73.800113I62 D63I62-M66 HydrophobicContact CG2-CG 4.49Å; I62-M66 WeakPolarHBondContact O-CB 3.47Å; I62-M66 VanDerWaalsContact O-CG 3.27Å; I62-M66 WeakPolarHBondContact O-CG 3.42Å; I62-M66 PolarHBondContact O-N 3.3Å; D63-M66 PolarHBondContact O-N 2.96Å
67R63.5Low53.3Low152 Ų152107.5 Ų107.557%0.57455%0.546SS*.Hα-helixtrans-71.9-33.6178.5-164-176.8-43.4158.323.5112.7D63 D64 H70D63-R67 VanDerWaalsContact O-CB 3.26Å; D63-R67 WeakPolarHBondContact O-CB 3.44Å; D63-R67 PolarHBondContact O-N 3.42Å; D64-R67 PolarHBondContact O-N 3.36Å; D64-R67 IonicContact OD1-CZ 2.7Å; D64-R67 IonicContact OD1-NH2 3.19Å; D64-R67 PolarHBondContact OD1-NH2 2.95Å; R67-H70 PolarHBondContact O-CE1 3.2Å; R67-H70 PolarHBondContact O-ND1 3.31Å
68D54Low51Low90 Ų90109.7 Ų109.748%0.48156%0.561SS.*Hα-helixtrans-88.3-11.3-178.8-76.5-11.5000113.7M22 D64 H70M22-D68 HydrophobicContact CE-CB 4.43Å; M22-D68 WeakPolarHBondContact CE-OD2 3.47Å; M22-D68 HydrophobicContact SD-CB 4.4Å; D64-D68 PolarHBondContact O-N 2.99Å; D68-H70 VanDerWaalsContact C-N 3.28Å; D68-H70 PolarHBondContact O-N 3.35Å
69L52.8Low48.7Very low43 Ų43106.9 Ų106.923%0.22556%0.561CS.*  trans-79.468.8173.5-81.7162.4000111.7I15 V65 F71I15-L69 HydrophobicContact CG1-CD2 4.27Å; V65-L69 HydrophobicContact CG1-CD1 3.92Å; V65-L69 WeakPolarHBondContact O-CD1 3.33Å; V65-L69 WeakPolarHBondContact O-CG 3.22Å; V65-L69 PolarHBondContact O-N 3.43Å; L69-F71 HydrophobicContact CD2-CZ 4.35Å
70H46.2Very low46.8Very low156 Ų156107.7 Ų107.772%0.72258%0.576SS**  trans-93.4111.1168.6-76.483.2000110.7R67 D68 T72R67-H70 PolarHBondContact O-CE1 3.2Å; R67-H70 PolarHBondContact O-ND1 3.31Å; D68-H70 VanDerWaalsContact C-N 3.28Å; D68-H70 PolarHBondContact O-N 3.35Å; H70-T72 PolarHBondContact O-N 2.68Å
71F43.7Very low44.6Very low120 Ų120111.1 Ų111.153%0.52660%0.602SS.*  trans-78.2101.3172.7-66.2-78.8000110.2L11 L69 Q73L11-F71 HydrophobicContact CD2-CD1 4.15Å; L11-F71 HydrophobicContact CD2-CE1 3.23Å; L11-F71 HydrophobicContact CD2-CE2 4.21Å; L11-F71 HydrophobicContact CD2-CZ 3.27Å; L11-F71 HydrophobicContact CG-CE1 4.32Å; L69-F71 HydrophobicContact CD2-CZ 4.35Å; F71-Q73 PolarHBondContact O-N 2.91Å
72T31.1Very low42.6Very low136 Ų136120.6 Ų120.683%0.83465%0.646SS**  trans-63.5103.3171.527.20000110.7H70H70-T72 PolarHBondContact O-N 2.68Å
73Q32.3Very low40.5Very low188 Ų188123.2 Ų123.288%0.87967%0.669SS**  trans-74.9115.6156-81.1-176.6-10.500108F71 S75F71-Q73 PolarHBondContact O-N 2.91Å; Q73-S75 PolarHBondContact O-N 2.94Å
74Q27.9Very low38.4Very low197 Ų197124.2 Ų124.292%0.92168%0.68SS**  trans-64121.5173.3-75.7175.1-11.600110.1
75S25.8Very low36.5Very low121 Ų121127.5 Ų127.585%0.84671%0.707SS**  trans-88.1142.3171.242.50000111.2Q73Q73-S75 PolarHBondContact O-N 2.94Å
76A24.7Very low34.6Very low95 Ų95135.9 Ų135.979%0.78574%0.742SS**  trans-120.1155.5164.200000108.7
77P26.8Very low32.8Very low126 Ų126135.6 Ų135.682%0.81875%0.75SS**  trans-91.1157.9-131.133.7-36.2000116.3
78N23.6Very low31.3Very low150 Ų150133.6 Ų133.680%0.80277%0.766SS**  trans-56.8135.1176.2-69.9-20.1000113.6
79I25.4Very low30.1Very low166 Ų166132.6 Ų132.685%0.85178%0.776SS**  trans-119.1118.1148.7-64.9178.2000105.9A81I79-A81 PolarHBondContact O-N 2.66Å
80D28.1Very low29.2Very low153 Ų153138.9 Ų138.982%0.81880%0.804SS**  trans-64.8124179.1-66.3-49.1000111.4
81A24.1Very low28.2Very low89 Ų89139.8 Ų139.874%0.73681%0.809SS**  trans-152.9110.3157.400000108.9I79 S83I79-A81 PolarHBondContact O-N 2.66Å; A81-S83 PolarHBondContact O-N 2.9Å
82E30.2Very low27.5Very low209 Ų209139.6 Ų139.698%0.97782%0.817SS**  trans-52.3127170.1-70.5176.3142.600110.5
83S24.3Very low27.3Very low108 Ų108139 Ų13976%0.75581%0.808SS**  trans-136.1141.4168.163.70000110.8A81A81-S83 PolarHBondContact O-N 2.9Å
84P25.7Very low27.4Very low110 Ų110138.4 Ų138.471%0.71481%0.806SS**  trans-80.6151.7-170.832.5-32.9000112.1K86P84-K86 PolarHBondContact O-N 3.13Å
85S27.1Very low27.4Very low117 Ų117136.2 Ų136.282%0.81880%0.8SS**  trans-32.2121.3177.153.80000115.3
86K25.7Very low27.5Very low199 Ų199135.6 Ų135.687%0.86580%0.796SS**  trans-66.8141.2168.1-77.5178.5176.2176.10111P84P84-K86 PolarHBondContact O-N 3.13Å
87P27.1Very low28.1Very low122 Ų122138.4 Ų138.479%0.79280%0.795SS**  trans-73.4152.5171.832-33.5000111.1G89P87-G89 PolarHBondContact O-N 3.37Å
88A31.6Very low28.5Very low111 Ų111140.8 Ų140.892%0.91780%0.795SS**  trans-51.4115.7-175.100000112.7
89G28.5Very low29.4Very low68 Ų68136.3 Ų136.370%0.70177%0.773SS**  trans-97.4139.2173.700000111.6P87P87-G89 PolarHBondContact O-N 3.37Å
90H33.1Very low30.2Very low175 Ų175135.2 Ų135.281%0.8176%0.762SS**  trans-45.6127.2175.6-73.5-83.4000114.5
91H26.3Very low31.1Very low176 Ų176136.1 Ų136.182%0.81576%0.758SS**  trans-94.5115.9154.1-93.1-74.4000108.7
92V29.5Very low32.2Very low115 Ų115137.3 Ų137.370%0.69776%0.757SS**  trans-89.9115.9162.3177.80000106.2
93D26.8Very low33.7Very low123 Ų123134 Ų13466%0.65875%0.746SS**  trans-132118.7162.3-125.40.6000107.2D95 K100D93-D95 PolarHBondContact O-N 3.47Å; D93-K100 IonicContact OD2-NZ 2.86Å; D93-K100 PolarHBondContact OD2-NZ 3.47Å
94Q33.3Very low36.2Very low177 Ų177131.1 Ų131.183%0.82772%0.722SS**  trans-88.596.1178.2-167.7176.113.200106.1
95D27.8Very low38.8Very low150 Ų150128.6 Ų128.680%0.80270%0.702SS**SBendtrans170.8121147.7-86.2-19.9000110.8D93D93-D95 PolarHBondContact O-N 3.47Å
96S28.8Very low41.3Very low109 Ų109128.2 Ų128.276%0.76270%0.697SS**  trans30.9112.2154-51.10000121.8H98S96-H98 PolarHBondContact O-N 3.24Å
97M36.4Very low44Very low153 Ų153121.9 Ų121.975%0.75468%0.678SS**SBendtrans74.7-2.4130-76.6-9888.500123.3
98H35Very low46.9Very low176 Ų176119.7 Ų119.782%0.81565%0.654SS**  trans-138.4118.6166.2-78.4-28.2000110.8S96 K100S96-H98 PolarHBondContact O-N 3.24Å; H98-K100 PolarHBondContact O-N 3.02Å
99V42.8Very low49.7Very low57 Ų57114.8 Ų114.835%0.34561%0.611SS.*  trans-47.9113.4159.5175.60000105.8K101 Y112V99-K101 VanDerWaalsContact C-N 3.31Å; V99-K101 PolarHBondContact O-N 3.45Å; V99-Y112 HydrophobicContact CG2-CE1 3.88Å; V99-Y112 HydrophobicContact CG2-CE2 4Å
100K42.2Very low52.7Low142 Ų142112.8 Ų112.862%0.61758%0.583SS**  trans-56102.2172.6-76173.4-179.61640105.5D93 H98 T102D93-K100 IonicContact OD2-NZ 2.86Å; D93-K100 PolarHBondContact OD2-NZ 3.47Å; H98-K100 PolarHBondContact O-N 3.02Å; K100-T102 PolarHBondContact O-N 3Å
101K47.4Very low55.7Low172 Ų172104.4 Ų104.475%0.74854%0.544SS*.THydrogen-bonded Turntrans-57.96.6-176.6-72.8179.1175.1176.70114V99V99-K101 VanDerWaalsContact C-N 3.31Å; V99-K101 PolarHBondContact O-N 3.45Å
102T47.9Very low59Low114 Ų11497.7 Ų97.770%0.69951%0.512SS*.THydrogen-bonded Turntrans-95.5-4.9-163.350.40000114.6K100K100-T102 PolarHBondContact O-N 3Å
103N60.5Low62.2Low140 Ų14092.2 Ų92.275%0.74948%0.479SS*.SBendtrans-12811.3-179.3-80.2-25.1000115
104L77.4Confident65.5Low48 Ų4887.7 Ų87.725%0.25145%0.454SS..SBendtrans-86130.6175.6-61.5-178.5000109.9P106 Y110 L168 F256L104-P106 VanDerWaalsContact O-CD 3.23Å; L104-P106 WeakPolarHBondContact O-CD 3.1Å; L104-P106 VanDerWaalsContact O-N 3.17Å; L104-Y110 HydrophobicContact CB-CE2 4.36Å; L104-L168 HydrophobicContact CD2-CD2 3.3Å; L104-F256 HydrophobicContact CD1-CB 4.41Å
105D79.9Confident68.6Low56 Ų5679.5 Ų79.530%0.29942%0.416SS..  trans-65.3111.4173.6-179.4-6.2000108.9S107 R108D105-S107 PolarHBondContact O-N 2.96Å; D105-S107 VanDerWaalsContact O-N 3.14Å; D105-S107 VanDerWaalsContact OD1-CB 3.28Å; D105-S107 WeakPolarHBondContact OD1-CB 3.45Å; D105-S107 PolarHBondContact OD1-N 3.36Å; D105-S107 PolarHBondContact OD1-OG 2.98Å; D105-S107 PolarHBondContact OD2-OG 2.99Å; D105-S107 VanDerWaalsContact OD2-OG 3.08Å; D105-R108 HydrophobicContact CB-CB 4.43Å; D105-R108 HydrophobicContact CB-CG 4.21Å; D105-R108 PolarHBondContact O-N 3.26Å; D105-R108 VanDerWaalsContact O-N 3.1Å; D105-R108 WeakPolarHBondContact OD2-CD 3.35Å; D105-R108 IonicContact OD2-NE 2.98Å; D105-R108 PolarHBondContact OD2-NE 2.9Å
106P79.6Confident71.8Confident109 Ų10975.7 Ų75.771%0.70840%0.395SS*.THydrogen-bonded Turntrans-69.7-11.3-176.331.1-36000112.5L104 R108L104-P106 VanDerWaalsContact O-CD 3.23Å; L104-P106 WeakPolarHBondContact O-CD 3.1Å; L104-P106 VanDerWaalsContact O-N 3.17Å; P106-R108 VanDerWaalsContact C-N 3.26Å
107S82.4Confident74.9Confident67 Ų6771.1 Ų71.147%0.46937%0.365SS..THydrogen-bonded Turntrans-80.8-6.517576.40000113.3D105 M182D105-S107 PolarHBondContact O-N 2.96Å; D105-S107 VanDerWaalsContact O-N 3.14Å; D105-S107 VanDerWaalsContact OD1-CB 3.28Å; D105-S107 WeakPolarHBondContact OD1-CB 3.45Å; D105-S107 PolarHBondContact OD1-N 3.36Å; D105-S107 PolarHBondContact OD1-OG 2.98Å; D105-S107 PolarHBondContact OD2-OG 2.99Å; D105-S107 VanDerWaalsContact OD2-OG 3.08Å; S107-M182 VanDerWaalsContact O-CB 3.29Å; S107-M182 WeakPolarHBondContact O-CB 3.39Å
108R87.2Confident77.7Confident75 Ų7564 Ų6428%0.28333%0.331SS..SBendtrans-114.5159.8-177.2-65.1179.6-173.5-136.51.2111.9D105 P106 Y110 E170 P257D105-R108 HydrophobicContact CB-CB 4.43Å; D105-R108 HydrophobicContact CB-CG 4.21Å; D105-R108 PolarHBondContact O-N 3.26Å; D105-R108 VanDerWaalsContact O-N 3.1Å; D105-R108 WeakPolarHBondContact OD2-CD 3.35Å; D105-R108 IonicContact OD2-NE 2.98Å; D105-R108 PolarHBondContact OD2-NE 2.9Å; P106-R108 VanDerWaalsContact C-N 3.26Å; R108-Y110 HydrophobicContact CB-CD2 4.5Å; R108-Y110 HydrophobicContact CB-CE2 3.68Å; R108-Y110 WeakPolarHBondContact CD-OH 3.13Å; R108-E170 WeakPolarHBondContact CD-OE1 3.39Å; R108-E170 IonicContact CZ-OE1 2.8Å; R108-E170 IonicContact NE-OE1 3.31Å; R108-E170 IonicContact NH1-OE1 3.05Å; R108-E170 PolarHBondContact NH1-OE1 3.13Å; R108-E170 IonicContact NH1-OE2 3.48Å; R108-E170 PolarHBondContact NH1-OE2 3.18Å; R108-P257 WeakPolarHBondContact O-CD 3.42Å
109R90Very high80.5Confident8 Ų860.8 Ų60.83%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-107.6130.9178.3-158.378.9-167.3-167-1.8109.6I171 M182 M188 P257 P258 L259R109-I171 HydrophobicContact CB-CB 4.3Å; R109-I171 HydrophobicContact CG-CD1 4.18Å; R109-I171 PolarHBondContact O-N 3.1Å; R109-M182 HydrophobicContact CB-CG 4.1Å; R109-M188 HydrophobicContact CG-CE 4.35Å; R109-M188 HydrophobicContact CG-SD 3.87Å; R109-P257 PolarHBondContact NE-O 2.74Å; R109-P257 PolarHBondContact NH1-O 3.14Å; R109-P257 VanDerWaalsContact NH1-O 3.13Å; R109-P257 PolarHBondContact NH2-O 2.66Å; R109-P258 PolarHBondContact NH1-O 2.93Å; R109-P258 PolarHBondContact NH2-O 2.86Å; R109-L259 VanDerWaalsContact NH2-CG 3.29Å
110Y92.9Very high82.9Confident26 Ų2660.2 Ų60.210%0.10232%0.316CS..EExtended strand (participates in β ladder)trans-126.1144.5179.2-56.5-86.2000111.1L104 R108 L168 L169 E170 L255 F256L104-Y110 HydrophobicContact CB-CE2 4.36Å; R108-Y110 HydrophobicContact CB-CD2 4.5Å; R108-Y110 HydrophobicContact CB-CE2 3.68Å; R108-Y110 WeakPolarHBondContact CD-OH 3.13Å; Y110-L168 HydrophobicContact CD1-CD2 4.05Å; Y110-L168 HydrophobicContact CD1-CG 4.04Å; Y110-L168 HydrophobicContact CE1-CD2 4.5Å; Y110-L168 HydrophobicContact CG-CD1 4.29Å; Y110-L168 HydrophobicContact CG-CD2 4.38Å; Y110-L168 HydrophobicContact CG-CG 4.3Å; Y110-L169 CarbonylContact C-O 3.57Å; Y110-L169 WeakPolarHBondContact CA-O 3.21Å; Y110-E170 HydrophobicContact CD1-CB 4.02Å; Y110-E170 HydrophobicContact CD1-CG 4.26Å; Y110-E170 HydrophobicContact CE1-CB 3.97Å; Y110-E170 HydrophobicContact CE1-CG 3.95Å; Y110-L255 WeakPolarHBondContact O-CA 3.38Å; Y110-F256 PolarHBondContact N-O 3.2Å; Y110-F256 PolarHBondContact O-N 2.96Å
111L94.9Very high85.3Confident0 Ų053.6 Ų53.60%029%0.287CS..EExtended strand (participates in β ladder)trans-106.3113.6166.2175.170.3000107.9L169 I171 V195 W218 V221 L253 L255L111-L169 HydrophobicContact CB-CB 4.16Å; L111-L169 HydrophobicContact CB-CD1 4.5Å; L111-L169 HydrophobicContact CD2-CD1 3.85Å; L111-L169 HydrophobicContact CG-CD1 4.22Å; L111-L169 PolarHBondContact N-O 3.18Å; L111-L169 WeakPolarHBondContact O-CB 3.48Å; L111-L169 PolarHBondContact O-N 3.41Å; L111-I171 HydrophobicContact CB-CD1 3.96Å; L111-I171 HydrophobicContact CB-CG1 4.12Å; L111-V195 HydrophobicContact CD2-CG2 4.35Å; L111-W218 HydrophobicContact CD2-CB 3.5Å; L111-W218 VanDerWaalsContact CD2-CB 3.5Å; L111-W218 HydrophobicContact CD2-CD2 4.1Å; L111-W218 HydrophobicContact CD2-CE3 4.26Å; L111-W218 HydrophobicContact CD2-CG 3.79Å; L111-V221 HydrophobicContact CD1-CG1 4.09Å; L111-L253 HydrophobicContact CD1-CB 4.04Å; L111-L253 HydrophobicContact CD1-CD2 4.37Å; L111-L255 HydrophobicContact CB-CD2 4.23Å; L111-L255 HydrophobicContact CD1-CD2 3.94Å
112Y96.1Very high87.3Confident34 Ų3450.8 Ų50.813%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-90.3111.7171.9-173.4-136.7000109.3V99 Q114 F167 L168 L253 E254 F256V99-Y112 HydrophobicContact CG2-CE1 3.88Å; V99-Y112 HydrophobicContact CG2-CE2 4Å; Y112-Q114 HydrophobicContact CD1-CG 3.77Å; Y112-Q114 HydrophobicContact CE1-CG 3.34Å; Y112-Q114 HydrophobicContact CE2-CG 4.14Å; Y112-Q114 HydrophobicContact CG-CG 4.36Å; Y112-Q114 VanDerWaalsContact CZ-CG 3.5Å; Y112-Q114 VanDerWaalsContact CZ-NE2 3.32Å; Y112-Q114 PolarHBondContact OH-NE2 3.2Å; Y112-F167 CarbonylContact C-O 3.49Å; Y112-F167 WeakPolarHBondContact CA-O 3.31Å; Y112-F167 WeakPolarHBondContact CD2-O 3.38Å; Y112-L168 HydrophobicContact CD2-CB 4.38Å; Y112-L168 HydrophobicContact CD2-CD1 4.13Å; Y112-L168 HydrophobicContact CG-CD1 4.39Å; Y112-L253 CarbonylContact O-C 3.45Å; Y112-L253 WeakPolarHBondContact O-CA 3.13Å; Y112-E254 PolarHBondContact N-O 3.48Å; Y112-E254 PolarHBondContact O-N 2.61Å; Y112-F256 AromaticContact CD1-CE2 3.95Å; Y112-F256 HydrophobicContact CD1-CE2 3.95Å; Y112-F256 HydrophobicContact CG-CE2 4.16Å
113L97.3Very high89.1Confident0 Ų051.4 Ų51.40%028%0.275CS..EExtended strand (participates in β ladder)trans-101.6117.4176.6-174.6152.5000109V115 L143 G166 F167 L169 V195 L216 V251 L253L113-V115 HydrophobicContact CD2-CG2 4.05Å; L113-L143 HydrophobicContact CD1-CD1 3.95Å; L113-L143 HydrophobicContact CD2-CD1 3.86Å; L113-L143 HydrophobicContact CG-CD1 4.37Å; L113-G166 CarbonylContact O-C 3.05Å; L113-G166 WeakPolarHBondContact O-CA 3.29Å; L113-F167 HydrophobicContact CD2-CD2 3.89Å; L113-F167 PolarHBondContact N-O 3.06Å; L113-F167 PolarHBondContact O-N 3.46Å; L113-L169 HydrophobicContact CB-CD1 4.1Å; L113-V195 HydrophobicContact CD1-CG1 4.1Å; L113-L216 HydrophobicContact CD1-CD2 3.7Å; L113-V251 HydrophobicContact CD1-CG1 4.35Å; L113-V251 HydrophobicContact CD2-CG1 4.18Å; L113-V251 HydrophobicContact CG-CG1 3.95Å; L113-L253 HydrophobicContact CB-CD2 3.8Å; L113-L253 HydrophobicContact CD1-CD2 3.63Å; L113-L253 HydrophobicContact CG-CD2 3.56Å
114Q96.8Very high90.3Very high29 Ų2945 Ų4514%0.13624%0.24CC..EExtended strand (participates in β ladder)trans-110.5130176-61-173.9-56.200110.2Y112 L116 E165 V251 S252Y112-Q114 HydrophobicContact CD1-CG 3.77Å; Y112-Q114 HydrophobicContact CE1-CG 3.34Å; Y112-Q114 HydrophobicContact CE2-CG 4.14Å; Y112-Q114 HydrophobicContact CG-CG 4.36Å; Y112-Q114 VanDerWaalsContact CZ-CG 3.5Å; Y112-Q114 VanDerWaalsContact CZ-NE2 3.32Å; Y112-Q114 PolarHBondContact OH-NE2 3.2Å; Q114-L116 HydrophobicContact CB-CD2 4.13Å; Q114-E165 CarbonylContact C-O 3.57Å; Q114-E165 WeakPolarHBondContact CA-O 3.12Å; Q114-V251 CarbonylContact O-C 3.44Å; Q114-V251 WeakPolarHBondContact O-CA 3.34Å; Q114-S252 PolarHBondContact N-O 2.67Å; Q114-S252 PolarHBondContact O-N 2.98Å
115V96.8Very high90.4Very high5 Ų548.1 Ų48.13%0.0326%0.257CS..EExtended strand (participates in β ladder)trans-93.3122163.3-1700000106.8L113 L141 L163 K164 E165 F167 L249L113-V115 HydrophobicContact CD2-CG2 4.05Å; V115-L141 HydrophobicContact CG2-CD2 3.63Å; V115-L163 CarbonylContact C-O 3.52Å; V115-L163 HydrophobicContact CG1-CB 4.36Å; V115-L163 WeakPolarHBondContact CG1-O 3.45Å; V115-K164 WeakPolarHBondContact O-CA 3.3Å; V115-E165 PolarHBondContact N-O 3.07Å; V115-E165 PolarHBondContact O-N 2.74Å; V115-E165 VanDerWaalsContact O-N 3.13Å; V115-F167 HydrophobicContact CG2-CE2 4.37Å; V115-L249 HydrophobicContact CG1-CB 4.38Å; V115-L249 HydrophobicContact CG1-CD2 4.28Å
116L95.3Very high90.2Very high69 Ų6954.6 Ų54.636%0.36129%0.285SS..EExtended strand (participates in β ladder)trans-93.1-16.4-175.8-56.8-177.1000112.7Q114 K164 T250Q114-L116 HydrophobicContact CB-CD2 4.13Å; L116-K164 WeakPolarHBondContact O-CG 3.3Å; L116-T250 HydrophobicContact CB-CG2 4.17Å; L116-T250 HydrophobicContact CD1-CG2 4.06Å; L116-T250 HydrophobicContact CG-CG2 4.49Å; L116-T250 PolarHBondContact N-O 2.93Å
117G93.6Very high90Very high13 Ų1353.1 Ų53.113%0.13427%0.271CS..EExtended strand (participates in β ladder)trans157.9164177.700000112L163 T250G117-L163 PolarHBondContact N-O 3.01Å; G117-T250 PolarHBondContact O-N 2.77Å
118G94.9Very high89.3Confident4 Ų454.6 Ų54.64%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-109.3151.117200000111.9E160 P161 V248G118-E160 CarbonylContact O-C 3.59Å; G118-E160 WeakPolarHBondContact O-CA 3.18Å; G118-P161 PolarHBondContact N-O 3.44Å; G118-P161 WeakPolarHBondContact O-CD 3.31Å; G118-V248 CarbonylContact C-O 3.52Å; G118-V248 WeakPolarHBondContact CA-O 3.4Å
119K94.8Very high88.5Confident109 Ų10959.5 Ų59.547%0.47431%0.308SS..EExtended strand (participates in β ladder)trans-143.4162.9176.3-65.5-169.1175.9-168.30111.3F121 C159 E160 V248K119-F121 VanDerWaalsContact C-N 3.31Å; K119-F121 WeakPolarHBondContact O-CD2 3.45Å; K119-F121 PolarHBondContact O-N 2.78Å; K119-C159 CarbonylContact C-O 3.59Å; K119-E160 HydrophobicContact CG-CG 4.3Å; K119-V248 PolarHBondContact N-O 2.93Å; K119-V248 PolarHBondContact O-N 3.43Å
120A93.2Very high87.6Confident45 Ų4561.9 Ų61.937%0.37232%0.324SS..  trans59.334.3172.600000114.7L122 C159A120-L122 PolarHBondContact O-N 2.71Å; A120-C159 PolarHBondContact N-O 2.82Å
121F93.3Very high86.7Confident3 Ų366.2 Ų66.21%0.01335%0.349CS..  trans-81.472.9169.1-71.2-90.4000110K119 E123 H124 F139 A158 C159 P161 L199 A246 L249K119-F121 VanDerWaalsContact C-N 3.31Å; K119-F121 WeakPolarHBondContact O-CD2 3.45Å; K119-F121 PolarHBondContact O-N 2.78Å; F121-E123 PolarHBondContact O-N 3.13Å; F121-E123 VanDerWaalsContact O-N 3.14Å; F121-H124 WeakPolarHBondContact O-CB 3.35Å; F121-H124 PolarHBondContact O-N 3.19Å; F121-F139 HydrophobicContact CD1-CE2 4.16Å; F121-F139 HydrophobicContact CD1-CZ 4.05Å; F121-F139 HydrophobicContact CG-CE2 4.29Å; F121-A158 WeakPolarHBondContact CB-O 3.32Å; F121-C159 PolarHBondContact N-O 2.87Å; F121-C159 WeakPolarHBondContact O-CA 3.46Å; F121-P161 VanDerWaalsContact CD2-CD 3.48Å; F121-P161 HydrophobicContact CD2-CG 3.67Å; F121-P161 HydrophobicContact CE2-CG 3.75Å; F121-P161 HydrophobicContact CG-CG 4.46Å; F121-L199 HydrophobicContact CE1-CD2 3.54Å; F121-L199 HydrophobicContact CZ-CD2 3.94Å; F121-A246 WeakPolarHBondContact CA-O 3.34Å; F121-A246 VanDerWaalsContact CD1-O 3.26Å; F121-A246 WeakPolarHBondContact CD1-O 3.2Å; F121-L249 HydrophobicContact CE2-CD2 4.28Å; F121-L249 HydrophobicContact CZ-CD2 4.1Å
122L88Confident85.7Confident113 Ų11372.6 Ų72.659%0.59239%0.39SS*.G310 helixtrans-63.6-24.1-163.6-58.4179.7000114.4A120 H124 L125A120-L122 PolarHBondContact O-N 2.71Å; L122-H124 PolarHBondContact O-N 2.76Å; L122-H124 VanDerWaalsContact O-N 3.11Å; L122-L125 HydrophobicContact CB-CD1 4.07Å; L122-L125 HydrophobicContact CD2-CD1 4.03Å; L122-L125 HydrophobicContact CD2-CG 4.37Å; L122-L125 WeakPolarHBondContact O-CB 3.44Å; L122-L125 WeakPolarHBondContact O-CD1 3.39Å; L122-L125 VanDerWaalsContact O-CG 3.3Å; L122-L125 WeakPolarHBondContact O-CG 3.34Å; L122-L125 PolarHBondContact O-N 3.32Å
123E86.2Confident84.4Confident126 Ų12675.1 Ų75.159%0.58943%0.427SS*.G310 helixtrans-59.5-21.1173.4-63.4-170.8166.900113F121F121-E123 PolarHBondContact O-N 3.13Å; F121-E123 VanDerWaalsContact O-N 3.14Å
124H85.8Confident83.4Confident7 Ų780.4 Ų80.43%0.03245%0.451CS..G310 helixtrans-108.522.2-175.6-63.3-77.9000112.7F121 L122 Q126 D127 F139 C159 K201F121-H124 WeakPolarHBondContact O-CB 3.35Å; F121-H124 PolarHBondContact O-N 3.19Å; L122-H124 PolarHBondContact O-N 2.76Å; L122-H124 VanDerWaalsContact O-N 3.11Å; H124-Q126 VanDerWaalsContact C-N 3.31Å; H124-Q126 PolarHBondContact O-N 3.4Å; H124-D127 IonicContact CE1-OD2 2.7Å; H124-D127 IonicContact CG-OD2 2.77Å; H124-D127 IonicContact ND1-OD2 2.65Å; H124-D127 PolarHBondContact ND1-OD2 3.01Å; H124-F139 AromaticContact CD2-CZ 3.53Å; H124-F139 AromaticContact NE2-CE1 3.88Å; H124-F139 AromaticContact NE2-CZ 3.33Å; H124-F139 VanDerWaalsContact NE2-CZ 3.33Å; H124-F139 WeakPolarHBondContact NE2-CZ 3.38Å; H124-C159 PolarHBondContact O-N 3.04Å; H124-K201 PolarHBondContact CE1-NZ 2.87Å
125L79.8Confident82.6Confident113 Ų11384 Ų8459%0.59248%0.475SS*.SBendtrans-64.6-32.5177.1-85.3164.7000113.6L122 C159L122-L125 HydrophobicContact CB-CD1 4.07Å; L122-L125 HydrophobicContact CD2-CD1 4.03Å; L122-L125 HydrophobicContact CD2-CG 4.37Å; L122-L125 WeakPolarHBondContact O-CB 3.44Å; L122-L125 WeakPolarHBondContact O-CD1 3.39Å; L122-L125 VanDerWaalsContact O-CG 3.3Å; L122-L125 WeakPolarHBondContact O-CG 3.34Å; L122-L125 PolarHBondContact O-N 3.32Å; L125-C159 HydrophobicContact CD2-CB 4.28Å
126Q75.2Confident82.2Confident192 Ų19285.3 Ų85.390%0.89748%0.484SS*.SBendtrans-97.8-5-175.6-63.5-176.4-2.600113H124 S128H124-Q126 VanDerWaalsContact C-N 3.31Å; H124-Q126 PolarHBondContact O-N 3.4Å; Q126-S128 PolarHBondContact O-N 2.89Å
127D76.3Confident82Confident77 Ų7783.6 Ų83.641%0.41248%0.477SS..PPolyproline II helixtrans-70.2119.4179.6-73.9-8.4000109.2H124H124-D127 IonicContact CE1-OD2 2.7Å; H124-D127 IonicContact CG-OD2 2.77Å; H124-D127 IonicContact ND1-OD2 2.65Å; H124-D127 PolarHBondContact ND1-OD2 3.01Å
128S67.4Low82.1Confident98 Ų9884.3 Ų84.369%0.68548%0.478SS*.PPolyproline II helixtrans-63.4145.3174.453.20000110.9Q126Q126-S128 PolarHBondContact O-N 2.89Å
129E70.1Confident82.2Confident179 Ų17984.1 Ų84.184%0.83648%0.477SS*.PPolyproline II helixtrans-55.3134.3173.1-74.1-170.7164.400111.2L131E129-L131 PolarHBondContact O-N 2.76Å
130P70.8Confident82.3Confident58 Ų5879.3 Ų79.338%0.37746%0.456SS..PPolyproline II helixtrans-67125.6-177.227.4-35000110.8C136 P156P130-C136 HydrophobicContact CB-CB 3.94Å; P130-P156 HydrophobicContact CG-CB 3.77Å; P130-P156 HydrophobicContact CG-CG 3.87Å
131L75.3Confident82.5Confident117 Ų11777.2 Ų77.261%0.61344%0.439SS*.PPolyproline II helixtrans-72.4147.8171.6-69.1165.7000110.6E129 G133 Q134E129-L131 PolarHBondContact O-N 2.76Å; L131-G133 PolarHBondContact O-N 2.96Å; L131-Q134 HydrophobicContact CB-CB 4.35Å; L131-Q134 WeakPolarHBondContact O-CB 3.22Å; L131-Q134 PolarHBondContact O-N 3.29Å
132P72.6Confident82.7Confident133 Ų13379.1 Ų79.186%0.86445%0.446SS*.THydrogen-bonded Turntrans-54.7124.2176.9-24.833.5000112.1Q134P132-Q134 VanDerWaalsContact C-N 3.34Å
133G69.8Low83Confident88 Ų8873.8 Ų73.891%0.90742%0.418SS*.THydrogen-bonded Turntrans85.8-4.4179.900000115.4L131L131-G133 PolarHBondContact O-N 2.96Å
134Q76.3Confident83.3Confident110 Ų11067.8 Ų67.851%0.51439%0.39SS..  trans-81.8132.6172.3-170.9174.7-9.700110.4L131 P132 C136L131-Q134 HydrophobicContact CB-CB 4.35Å; L131-Q134 WeakPolarHBondContact O-CB 3.22Å; L131-Q134 PolarHBondContact O-N 3.29Å; P132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-C136 PolarHBondContact O-N 2.9Å
135V79.4Confident83.6Confident105 Ų10567.4 Ų67.464%0.63639%0.389SS*.  trans-71.5120.2172.6-170.70000108T204V135-T204 HydrophobicContact CB-CG2 4.48Å; V135-T204 HydrophobicContact CG1-CG2 4.07Å; V135-T204 VanDerWaalsContact O-CG2 3.32Å; V135-T204 WeakPolarHBondContact O-CG2 3.25Å
136C88.3Confident83.9Confident32 Ų3263.3 Ų63.322%0.21637%0.365CS..  trans-123.1157.1177.867.70000110.2P130 Q134P130-C136 HydrophobicContact CB-CB 3.94Å; Q134-C136 PolarHBondContact O-N 2.9Å
137P92.1Very high84.4Confident33 Ų3357.8 Ų57.821%0.21434%0.342CS..  trans-62.2146.8169.528.1-34.5000110.4P156 C157 T202P137-P156 WeakPolarHBondContact O-CA 3.24Å; P137-C157 HydrophobicContact CB-CB 4.34Å; P137-C157 HydrophobicContact CG-CB 4.16Å; P137-C157 PolarHBondContact O-N 3.36Å; P137-T202 CarbonylContact C-O 3.54Å; P137-T202 WeakPolarHBondContact CA-O 3.47Å
138T95.3Very high85.1Confident28 Ų2855.8 Ų55.817%0.17233%0.33CS..EExtended strand (participates in β ladder)trans-131.9143.8-178.260.60000112.3P154 V155 C157 K201 T202T138-P154 HydrophobicContact CG2-CB 4.18Å; T138-V155 CarbonylContact C-O 3.53Å; T138-V155 WeakPolarHBondContact CA-O 3.42Å; T138-V155 WeakPolarHBondContact CB-O 3.32Å; T138-C157 VanDerWaalsContact C-SG 3.5Å; T138-K201 CarbonylContact O-C 3.58Å; T138-K201 WeakPolarHBondContact O-CA 3.33Å; T138-T202 PolarHBondContact N-O 3.26Å; T138-T202 PolarHBondContact O-N 3.47Å
139F96.6Very high86.3Confident1 Ų152.7 Ų52.70%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-87.2139.1163.7-66.9-47.6000111.8F121 H124 P154 V155 C157 P161 L163 L199 I200 K201 I211F121-F139 HydrophobicContact CD1-CE2 4.16Å; F121-F139 HydrophobicContact CD1-CZ 4.05Å; F121-F139 HydrophobicContact CG-CE2 4.29Å; H124-F139 AromaticContact CD2-CZ 3.53Å; H124-F139 AromaticContact NE2-CE1 3.88Å; H124-F139 AromaticContact NE2-CZ 3.33Å; H124-F139 VanDerWaalsContact NE2-CZ 3.33Å; H124-F139 WeakPolarHBondContact NE2-CZ 3.38Å; F139-P154 CarbonylContact O-C 3.57Å; F139-P154 WeakPolarHBondContact O-CA 3.33Å; F139-V155 PolarHBondContact N-O 2.88Å; F139-V155 PolarHBondContact O-N 3.49Å; F139-C157 VanDerWaalsContact CD1-SG 3.6Å; F139-C157 HydrophobicContact CD2-CB 4.22Å; F139-C157 VanDerWaalsContact CE1-SG 3.56Å; F139-C157 HydrophobicContact CE2-CB 3.9Å; F139-C157 HydrophobicContact CZ-CB 4.07Å; F139-P161 HydrophobicContact CD2-CB 4.08Å; F139-P161 HydrophobicContact CD2-CG 4.18Å; F139-P161 HydrophobicContact CE2-CB 4.48Å; F139-P161 HydrophobicContact CE2-CG 4.32Å; F139-L163 HydrophobicContact CB-CD1 4.45Å; F139-L163 HydrophobicContact CB-CD2 4.47Å; F139-L199 HydrophobicContact CB-CD1 4.1Å; F139-L199 HydrophobicContact CD1-CG 4.44Å; F139-L199 HydrophobicContact CG-CD1 4.47Å; F139-I200 CarbonylContact C-O 3.55Å; F139-I200 WeakPolarHBondContact CA-O 3.42Å; F139-K201 HydrophobicContact CD1-CB 3.97Å; F139-K201 HydrophobicContact CE1-CB 3.97Å; F139-K201 HydrophobicContact CE1-CD 4.36Å; F139-K201 HydrophobicContact CE1-CG 4.33Å; F139-I211 HydrophobicContact CE1-CG1 4.11Å
140T97.1Very high87.5Confident7 Ų747.1 Ų47.14%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-129.4124.9168.4-56.70000108.7Y142 R151 I200T140-Y142 HydrophobicContact CG2-CD2 4.14Å; T140-Y142 HydrophobicContact CG2-CE1 4.44Å; T140-Y142 HydrophobicContact CG2-CE2 3.53Å; T140-R151 HydrophobicContact CG2-CB 4.47Å; T140-I200 PolarHBondContact N-O 3.13Å; T140-I200 PolarHBondContact O-N 2.82Å
141L97.6Very high88.6Confident2 Ų249.9 Ų49.91%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-93.3122.6176.2-178.467.1000109.6V115 R151 S152 F167 L197 L199 L249V115-L141 HydrophobicContact CG2-CD2 3.63Å; L141-R151 CarbonylContact O-C 3.58Å; L141-R151 WeakPolarHBondContact O-CA 3.32Å; L141-S152 PolarHBondContact N-OG 3.23Å; L141-S152 PolarHBondContact O-N 2.9Å; L141-F167 HydrophobicContact CD2-CE2 4.28Å; L141-L197 HydrophobicContact CD1-CB 4.31Å; L141-L199 HydrophobicContact CB-CD1 4.34Å; L141-L199 HydrophobicContact CD1-CD1 4.35Å; L141-L249 HydrophobicContact CD1-CD1 4.35Å; L141-L249 HydrophobicContact CD2-CD1 4.33Å
142Y96.3Very high89.6Confident43 Ų4344.7 Ų44.717%0.16925%0.253CS..EExtended strand (participates in β ladder)trans-103.5145.4171.9-63.8-95.2000109.9T140 F150 R151 L197 V198 I200 C374T140-Y142 HydrophobicContact CG2-CD2 4.14Å; T140-Y142 HydrophobicContact CG2-CE1 4.44Å; T140-Y142 HydrophobicContact CG2-CE2 3.53Å; Y142-F150 WeakPolarHBondContact CA-O 3.35Å; Y142-R151 HydrophobicContact CD1-CB 3.61Å; Y142-R151 HydrophobicContact CE1-CB 3.64Å; Y142-R151 HydrophobicContact CG-CB 4.4Å; Y142-L197 WeakPolarHBondContact O-CA 3.32Å; Y142-V198 PolarHBondContact N-O 2.8Å; Y142-V198 PolarHBondContact O-N 2.79Å; Y142-I200 HydrophobicContact CD2-CB 4.34Å; Y142-I200 HydrophobicContact CD2-CG1 3.78Å; Y142-I200 HydrophobicContact CE2-CB 3.96Å; Y142-I200 HydrophobicContact CE2-CG1 3.7Å; Y142-C374 HydrophobicContact CD1-CB 4.33Å; Y142-C374 HydrophobicContact CD2-CB 3.92Å; Y142-C374 HydrophobicContact CE2-CB 4.24Å; Y142-C374 HydrophobicContact CG-CB 3.97Å; Y142-C374 VanDerWaalsContact CG-SG 3.53Å
143L95.1Very high90.6Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-133133.6-178.3-171155.2000109.4L113 F145 R149 F150 F167 L169 V195 H196 L197L113-L143 HydrophobicContact CD1-CD1 3.95Å; L113-L143 HydrophobicContact CD2-CD1 3.86Å; L113-L143 HydrophobicContact CG-CD1 4.37Å; L143-F145 HydrophobicContact CD2-CB 4.42Å; L143-R149 CarbonylContact O-C 3.48Å; L143-R149 VanDerWaalsContact O-CA 3.28Å; L143-R149 WeakPolarHBondContact O-CA 3.33Å; L143-F150 HydrophobicContact CB-CB 4.37Å; L143-F150 HydrophobicContact CD2-CD2 3.89Å; L143-F150 PolarHBondContact N-O 3.27Å; L143-F150 PolarHBondContact O-N 3.4Å; L143-F167 HydrophobicContact CD1-CB 4.23Å; L143-F167 HydrophobicContact CD1-CD2 3.81Å; L143-F167 HydrophobicContact CD1-CE2 4.37Å; L143-F167 HydrophobicContact CD1-CG 4.06Å; L143-L169 HydrophobicContact CD2-CD1 4.17Å; L143-L169 HydrophobicContact CD2-CD2 3.34Å; L143-L169 HydrophobicContact CD2-CG 4.29Å; L143-V195 HydrophobicContact CD1-CG1 3.76Å; L143-V195 HydrophobicContact CD2-CG1 3.66Å; L143-V195 HydrophobicContact CG-CG1 3.52Å; L143-H196 CarbonylContact C-O 3.5Å; L143-H196 WeakPolarHBondContact CA-O 3.41Å; L143-L197 HydrophobicContact CB-CD2 4.29Å; L143-L197 HydrophobicContact CD1-CD2 3.61Å; L143-L197 HydrophobicContact CG-CD2 3.8Å
144H93.3Very high91.8Very high0 Ų044.9 Ų44.90%022%0.224CC..EExtended strand (participates in β ladder)trans-129.2127.9174.3168.6-111.4000110.8R146 Q148 R149 H196 M370 P513H144-R146 PolarHBondContact NE2-O 3.16Å; H144-Q148 WeakPolarHBondContact CA-O 3.19Å; H144-Q148 PolarHBondContact CD2-O 2.93Å; H144-R149 HydrophobicContact CB-CG 4.24Å; H144-H196 HydrophobicContact CB-CB 4.27Å; H144-H196 PolarHBondContact N-O 3.11Å; H144-H196 PolarHBondContact O-N 3.15Å; H144-M370 HydrophobicContact CB-CE 3.65Å; H144-M370 HydrophobicContact CB-CG 3.97Å; H144-M370 HydrophobicContact CB-SD 3.7Å; H144-P513 PolarHBondContact CE1-O 3.06Å
145F91.1Very high92.6Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-140.3114173.2-175.9-115.1000108.9L143 N147 Q148 L169 D193 V195 W218L143-F145 HydrophobicContact CD2-CB 4.42Å; F145-N147 PolarHBondContact O-N 3.46Å; F145-Q148 PolarHBondContact N-O 2.86Å; F145-Q148 WeakPolarHBondContact O-CB 3.35Å; F145-Q148 PolarHBondContact O-N 2.82Å; F145-L169 HydrophobicContact CB-CD2 3.76Å; F145-L169 HydrophobicContact CD1-CB 4.12Å; F145-L169 HydrophobicContact CD1-CD2 4.4Å; F145-L169 HydrophobicContact CG-CD2 4.43Å; F145-D193 HydrophobicContact CE2-CB 4.2Å; F145-V195 HydrophobicContact CB-CG2 4.34Å; F145-V195 HydrophobicContact CD2-CB 4.46Å; F145-V195 HydrophobicContact CD2-CG2 3.61Å; F145-V195 HydrophobicContact CE2-CG2 4.15Å; F145-V195 HydrophobicContact CG-CG2 4.11Å; F145-W218 AromaticContact CE2-CD1 3.82Å; F145-W218 AromaticContact CE2-NE1 3.47Å; F145-W218 HydrophobicContact CZ-CZ2 4.35Å; F145-W218 AromaticContact CZ-NE1 3.74Å
146R85.9Confident93.3Very high26 Ų2638.2 Ų38.210%0.09819%0.192CC..THydrogen-bonded Turntrans57.7-97.4-178.8-64-172.9157.7146.67.2115.1H144 H172 M191 D193H144-R146 PolarHBondContact NE2-O 3.16Å; R146-H172 PolarHBondContact NH1-O 2.61Å; R146-M191 PolarHBondContact NH1-SD 2.89Å; R146-M191 VanDerWaalsContact NH2-CB 3.31Å; R146-M191 PolarHBondContact NH2-SD 3.45Å; R146-D193 HydrophobicContact CG-CB 4.33Å; R146-D193 IonicContact CZ-OD2 3.09Å; R146-D193 VanDerWaalsContact CZ-OD2 3.29Å; R146-D193 IonicContact NE-OD2 3.78Å; R146-D193 PolarHBondContact NE-OD2 3.4Å; R146-D193 IonicContact NH2-OD2 3.98Å; R146-D193 PolarHBondContact NH2-OD2 2.91Å
147N85.6Confident93.5Very high76 Ų7637.2 Ų37.241%0.40619%0.185SC..THydrogen-bonded Turntrans-120.821.3179-16134.7000110.9F145 P516F145-N147 PolarHBondContact O-N 3.46Å; N147-P516 WeakPolarHBondContact OD1-CB 3.36Å
148Q90.9Very high93.5Very high35 Ų3537.3 Ų37.316%0.16419%0.188CC..EExtended strand (participates in β ladder)trans-121.1131.9-178.2-60.1168.273.300109H144 F145 F150 E170H144-Q148 WeakPolarHBondContact CA-O 3.19Å; H144-Q148 PolarHBondContact CD2-O 2.93Å; F145-Q148 PolarHBondContact N-O 2.86Å; F145-Q148 WeakPolarHBondContact O-CB 3.35Å; F145-Q148 PolarHBondContact O-N 2.82Å; Q148-F150 HydrophobicContact CB-CE2 3.62Å; Q148-F150 HydrophobicContact CB-CZ 4.06Å; Q148-E170 PolarHBondContact NE2-O 3.38Å
149R93Very high93.4Very high34 Ų3437.3 Ų37.313%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-126.6142.2175.4-72.517775.1-163.7-10.4110.4L143 H144 M370 P515 P516 E645L143-R149 CarbonylContact O-C 3.48Å; L143-R149 VanDerWaalsContact O-CA 3.28Å; L143-R149 WeakPolarHBondContact O-CA 3.33Å; H144-R149 HydrophobicContact CB-CG 4.24Å; R149-M370 HydrophobicContact CG-SD 4.41Å; R149-M370 PolarHBondContact NE-SD 3.05Å; R149-P515 HydrophobicContact CG-CB 4.28Å; R149-P516 WeakPolarHBondContact CD-O 3.47Å; R149-P516 HydrophobicContact CG-CG 4.17Å; R149-P516 PolarHBondContact NH1-O 3.27Å; R149-E645 IonicContact CZ-OE1 3.66Å; R149-E645 IonicContact CZ-OE2 2.94Å; R149-E645 IonicContact NH1-OE1 3.29Å; R149-E645 PolarHBondContact NH1-OE1 2.94Å; R149-E645 IonicContact NH1-OE2 2.82Å; R149-E645 PolarHBondContact NH1-OE2 3.26Å; R149-E645 IonicContact NH2-OE1 2.76Å; R149-E645 IonicContact NH2-OE2 3.27Å; R149-E645 PolarHBondContact NH2-OE2 2.95Å
150F94.4Very high93.2Very high61 Ų6143.3 Ų43.327%0.26822%0.217SC..EExtended strand (participates in β ladder)trans-136.8159.7178.3-52.8-95.1000109.8Y142 L143 Q148 F167 L168 L169Y142-F150 WeakPolarHBondContact CA-O 3.35Å; L143-F150 HydrophobicContact CB-CB 4.37Å; L143-F150 HydrophobicContact CD2-CD2 3.89Å; L143-F150 PolarHBondContact N-O 3.27Å; L143-F150 PolarHBondContact O-N 3.4Å; Q148-F150 HydrophobicContact CB-CE2 3.62Å; Q148-F150 HydrophobicContact CB-CZ 4.06Å; F150-F167 HydrophobicContact CB-CD1 3.38Å; F150-F167 HydrophobicContact CB-CE1 3.72Å; F150-F167 HydrophobicContact CB-CG 4.33Å; F150-F167 HydrophobicContact CD1-CD1 4.28Å; F150-F167 AromaticContact CG-CD1 3.93Å; F150-F167 HydrophobicContact CG-CD1 3.93Å; F150-L168 VanDerWaalsContact CZ-O 3.31Å; F150-L168 WeakPolarHBondContact CZ-O 3.42Å; F150-L169 HydrophobicContact CD2-CD2 3.86Å; F150-L169 HydrophobicContact CE2-CD2 3.34Å; F150-L169 HydrophobicContact CE2-CG 4.49Å; F150-L169 HydrophobicContact CZ-CD2 4.18Å
151R94.4Very high93Very high117 Ų11743.1 Ų43.144%0.44222%0.216SC..EExtended strand (participates in β ladder)trans-138.6142.417167.4179.1-179.4-178.7-1.7109.3T140 L141 Y142 S521T140-R151 HydrophobicContact CG2-CB 4.47Å; L141-R151 CarbonylContact O-C 3.58Å; L141-R151 WeakPolarHBondContact O-CA 3.32Å; Y142-R151 HydrophobicContact CD1-CB 3.61Å; Y142-R151 HydrophobicContact CE1-CB 3.64Å; Y142-R151 HydrophobicContact CG-CB 4.4Å; R151-S521 PolarHBondContact NH2-OG 3.15Å
152S96Very high92.7Very high7 Ų747.7 Ų47.75%0.04924%0.241CC..PPolyproline II helixtrans-72.6169.4169.4730000110.9L141L141-S152 PolarHBondContact N-OG 3.23Å; L141-S152 PolarHBondContact O-N 2.9Å
153K94.2Very high92.4Very high141 Ų14145.9 Ų45.961%0.61323%0.234SC*.PPolyproline II helixtrans-64150158.7-64.3175.9-173.7172.30110.2V155 E165K153-V155 PolarHBondContact O-N 3.43Å; K153-E165 PolarHBondContact N-OE2 3.24Å; K153-E165 VanDerWaalsContact N-OE2 3.11Å
154P94.3Very high92.3Very high85 Ų8552.4 Ų52.455%0.55226%0.262SS*.PPolyproline II helixtrans-63.1132.1168.4-19.432.1000110.2T138 F139T138-P154 HydrophobicContact CG2-CB 4.18Å; F139-P154 CarbonylContact O-C 3.57Å; F139-P154 WeakPolarHBondContact O-CA 3.33Å
155V93.8Very high92.4Very high25 Ų2555.1 Ų55.115%0.15228%0.275CS..EExtended strand (participates in β ladder)trans-120.6135.8177.5175.70000108.3T138 F139 K153 C157 P161 L163T138-V155 CarbonylContact C-O 3.53Å; T138-V155 WeakPolarHBondContact CA-O 3.42Å; T138-V155 WeakPolarHBondContact CB-O 3.32Å; F139-V155 PolarHBondContact N-O 2.88Å; F139-V155 PolarHBondContact O-N 3.49Å; K153-V155 PolarHBondContact O-N 3.43Å; V155-C157 PolarHBondContact O-N 2.93Å; V155-P161 HydrophobicContact CG1-CB 4.35Å; V155-L163 HydrophobicContact CB-CD2 3.81Å; V155-L163 HydrophobicContact CB-CG 4.27Å; V155-L163 HydrophobicContact CG1-CD2 4.48Å; V155-L163 HydrophobicContact CG1-CG 4.42Å; V155-L163 HydrophobicContact CG2-CD2 3.71Å; V155-L163 HydrophobicContact CG2-CG 4.35Å
156P93.3Very high92.6Very high50 Ų5056.4 Ų56.433%0.32529%0.288SS..EExtended strand (participates in β ladder)trans-51.4138.7176.5-27.835.8000112.9P130 P137 A158P130-P156 HydrophobicContact CG-CB 3.77Å; P130-P156 HydrophobicContact CG-CG 3.87Å; P137-P156 WeakPolarHBondContact O-CA 3.24Å; P156-A158 PolarHBondContact O-N 3.42Å
157C93.1Very high93Very high10 Ų1055.5 Ų55.57%0.06829%0.285CS..  trans-65.3132.9173.2-65.60000110P137 T138 F139 V155P137-C157 HydrophobicContact CB-CB 4.34Å; P137-C157 HydrophobicContact CG-CB 4.16Å; P137-C157 PolarHBondContact O-N 3.36Å; T138-C157 VanDerWaalsContact C-SG 3.5Å; F139-C157 VanDerWaalsContact CD1-SG 3.6Å; F139-C157 HydrophobicContact CD2-CB 4.22Å; F139-C157 VanDerWaalsContact CE1-SG 3.56Å; F139-C157 HydrophobicContact CE2-CB 3.9Å; F139-C157 HydrophobicContact CZ-CB 4.07Å; V155-C157 PolarHBondContact O-N 2.93Å
158A92.5Very high93.5Very high35 Ų3554.2 Ų54.229%0.28928%0.278SS..  trans-157.5166.617700000108.7F121 P156 E160 P161F121-A158 WeakPolarHBondContact CB-O 3.32Å; P156-A158 PolarHBondContact O-N 3.42Å; A158-E160 VanDerWaalsContact C-N 3.26Å; A158-E160 PolarHBondContact O-N 2.78Å; A158-P161 WeakPolarHBondContact O-CD 3.5Å
159C92.5Very high93.6Very high28 Ų2852.5 Ų52.519%0.18927%0.27CS..SBendtrans-62.5-34.7172.3-173.90000112.4K119 A120 F121 H124 L125K119-C159 CarbonylContact C-O 3.59Å; A120-C159 PolarHBondContact N-O 2.82Å; F121-C159 PolarHBondContact N-O 2.87Å; F121-C159 WeakPolarHBondContact O-CA 3.46Å; H124-C159 PolarHBondContact O-N 3.04Å; L125-C159 HydrophobicContact CD2-CB 4.28Å
160E93.4Very high93.5Very high128 Ų12852.9 Ų52.960%0.59827%0.273SS*.SBendtrans-123.876.4174.2-60.5-163.1173.300110.4G118 K119 A158G118-E160 CarbonylContact O-C 3.59Å; G118-E160 WeakPolarHBondContact O-CA 3.18Å; K119-E160 HydrophobicContact CG-CG 4.3Å; A158-E160 VanDerWaalsContact C-N 3.26Å; A158-E160 PolarHBondContact O-N 2.78Å
161P92.4Very high93.3Very high3 Ų350.1 Ų50.12%0.01926%0.261CS..  trans-71.1138.4-175.529.8-34.3000111.3G118 F121 F139 V155 A158 L163G118-P161 PolarHBondContact N-O 3.44Å; G118-P161 WeakPolarHBondContact O-CD 3.31Å; F121-P161 VanDerWaalsContact CD2-CD 3.48Å; F121-P161 HydrophobicContact CD2-CG 3.67Å; F121-P161 HydrophobicContact CE2-CG 3.75Å; F121-P161 HydrophobicContact CG-CG 4.46Å; F139-P161 HydrophobicContact CD2-CB 4.08Å; F139-P161 HydrophobicContact CD2-CG 4.18Å; F139-P161 HydrophobicContact CE2-CB 4.48Å; F139-P161 HydrophobicContact CE2-CG 4.32Å; V155-P161 HydrophobicContact CG1-CB 4.35Å; A158-P161 WeakPolarHBondContact O-CD 3.5Å; P161-L163 HydrophobicContact CB-CD1 4.12Å; P161-L163 HydrophobicContact CB-CG 4.17Å; P161-L163 HydrophobicContact CG-CD1 3.84Å; P161-L163 HydrophobicContact CG-CG 4.36Å; P161-L163 PolarHBondContact O-N 3.07Å
162D91.8Very high92.8Very high98 Ų9845.5 Ų45.552%0.52424%0.244SC..  trans-77.654.8178.3-164.626.9000112.4K164D162-K164 PolarHBondContact O-N 2.82Å; D162-K164 VanDerWaalsContact OD1-CD 3.24Å; D162-K164 WeakPolarHBondContact OD1-CD 3.23Å; D162-K164 WeakPolarHBondContact OD1-CE 3.28Å; D162-K164 WeakPolarHBondContact OD1-CG 3.43Å; D162-K164 IonicContact OD1-NZ 3.66Å; D162-K164 PolarHBondContact OD1-NZ 3.35Å; D162-K164 IonicContact OD2-NZ 3.98Å
163L89.6Confident91.5Very high4 Ų452.6 Ų52.62%0.02127%0.27CS..  trans-7672176.9-74.6164.2000110.3V115 G117 F139 V155 P161 L249V115-L163 CarbonylContact C-O 3.52Å; V115-L163 HydrophobicContact CG1-CB 4.36Å; V115-L163 WeakPolarHBondContact CG1-O 3.45Å; G117-L163 PolarHBondContact N-O 3.01Å; F139-L163 HydrophobicContact CB-CD1 4.45Å; F139-L163 HydrophobicContact CB-CD2 4.47Å; V155-L163 HydrophobicContact CB-CD2 3.81Å; V155-L163 HydrophobicContact CB-CG 4.27Å; V155-L163 HydrophobicContact CG1-CD2 4.48Å; V155-L163 HydrophobicContact CG1-CG 4.42Å; V155-L163 HydrophobicContact CG2-CD2 3.71Å; V155-L163 HydrophobicContact CG2-CG 4.35Å; P161-L163 HydrophobicContact CB-CD1 4.12Å; P161-L163 HydrophobicContact CB-CG 4.17Å; P161-L163 HydrophobicContact CG-CD1 3.84Å; P161-L163 HydrophobicContact CG-CG 4.36Å; P161-L163 PolarHBondContact O-N 3.07Å; L163-L249 HydrophobicContact CD1-CD2 4.08Å
164K93.3Very high89.9Confident137 Ų13751 Ų5160%0.59627%0.268SS*.  trans-99.8102.4174.2-73178.3-174.1127.60110.8V115 L116 D162V115-K164 WeakPolarHBondContact O-CA 3.3Å; L116-K164 WeakPolarHBondContact O-CG 3.3Å; D162-K164 PolarHBondContact O-N 2.82Å; D162-K164 VanDerWaalsContact OD1-CD 3.24Å; D162-K164 WeakPolarHBondContact OD1-CD 3.23Å; D162-K164 WeakPolarHBondContact OD1-CE 3.28Å; D162-K164 WeakPolarHBondContact OD1-CG 3.43Å; D162-K164 IonicContact OD1-NZ 3.66Å; D162-K164 PolarHBondContact OD1-NZ 3.35Å; D162-K164 IonicContact OD2-NZ 3.98Å
165E94.4Very high87.9Confident57 Ų5750.9 Ų50.927%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-145.7148.2-176.9-165.468.6-95.800110.9Q114 V115 K153 F167Q114-E165 CarbonylContact C-O 3.57Å; Q114-E165 WeakPolarHBondContact CA-O 3.12Å; V115-E165 PolarHBondContact N-O 3.07Å; V115-E165 PolarHBondContact O-N 2.74Å; V115-E165 VanDerWaalsContact O-N 3.13Å; K153-E165 PolarHBondContact N-OE2 3.24Å; K153-E165 VanDerWaalsContact N-OE2 3.11Å; E165-F167 HydrophobicContact CB-CE2 4.11Å; E165-F167 HydrophobicContact CB-CZ 4.05Å; E165-F167 HydrophobicContact CG-CE1 3.78Å; E165-F167 HydrophobicContact CG-CE2 3.9Å; E165-F167 HydrophobicContact CG-CZ 3.43Å; E165-F167 VanDerWaalsContact CG-CZ 3.43Å
166G95.3Very high85.6Confident28 Ų2857 Ų5729%0.28930%0.295SS..EExtended strand (participates in β ladder)trans-123.7131.1177.700000112.1L113L113-G166 CarbonylContact O-C 3.05Å; L113-G166 WeakPolarHBondContact O-CA 3.29Å
167F95.9Very high83.5Confident7 Ų757.8 Ų57.83%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-120.5128.5-179.7-53.2-77000110Y112 L113 V115 L141 L143 F150 E165Y112-F167 CarbonylContact C-O 3.49Å; Y112-F167 WeakPolarHBondContact CA-O 3.31Å; Y112-F167 WeakPolarHBondContact CD2-O 3.38Å; L113-F167 HydrophobicContact CD2-CD2 3.89Å; L113-F167 PolarHBondContact N-O 3.06Å; L113-F167 PolarHBondContact O-N 3.46Å; V115-F167 HydrophobicContact CG2-CE2 4.37Å; L141-F167 HydrophobicContact CD2-CE2 4.28Å; L143-F167 HydrophobicContact CD1-CB 4.23Å; L143-F167 HydrophobicContact CD1-CD2 3.81Å; L143-F167 HydrophobicContact CD1-CE2 4.37Å; L143-F167 HydrophobicContact CD1-CG 4.06Å; F150-F167 HydrophobicContact CB-CD1 3.38Å; F150-F167 HydrophobicContact CB-CE1 3.72Å; F150-F167 HydrophobicContact CB-CG 4.33Å; F150-F167 HydrophobicContact CD1-CD1 4.28Å; F150-F167 AromaticContact CG-CD1 3.93Å; F150-F167 HydrophobicContact CG-CD1 3.93Å; E165-F167 HydrophobicContact CB-CE2 4.11Å; E165-F167 HydrophobicContact CB-CZ 4.05Å; E165-F167 HydrophobicContact CG-CE1 3.78Å; E165-F167 HydrophobicContact CG-CE2 3.9Å; E165-F167 HydrophobicContact CG-CZ 3.43Å; E165-F167 VanDerWaalsContact CG-CZ 3.43Å
168L94.8Very high81.2Confident48 Ų4864 Ų6425%0.25134%0.344SS..EExtended strand (participates in β ladder)trans-103.7113.4177.1-171.776000109.7L104 Y110 Y112 F150L104-L168 HydrophobicContact CD2-CD2 3.3Å; Y110-L168 HydrophobicContact CD1-CD2 4.05Å; Y110-L168 HydrophobicContact CD1-CG 4.04Å; Y110-L168 HydrophobicContact CE1-CD2 4.5Å; Y110-L168 HydrophobicContact CG-CD1 4.29Å; Y110-L168 HydrophobicContact CG-CD2 4.38Å; Y110-L168 HydrophobicContact CG-CG 4.3Å; Y112-L168 HydrophobicContact CD2-CB 4.38Å; Y112-L168 HydrophobicContact CD2-CD1 4.13Å; Y112-L168 HydrophobicContact CG-CD1 4.39Å; F150-L168 VanDerWaalsContact CZ-O 3.31Å; F150-L168 WeakPolarHBondContact CZ-O 3.42Å
169L93.4Very high79.2Confident0 Ų065.7 Ų65.70%037%0.365CS..EExtended strand (participates in β ladder)trans-105.7122.6-173.7-58.6159.7000109.3Y110 L111 L113 L143 F145 F150 V195Y110-L169 CarbonylContact C-O 3.57Å; Y110-L169 WeakPolarHBondContact CA-O 3.21Å; L111-L169 HydrophobicContact CB-CB 4.16Å; L111-L169 HydrophobicContact CB-CD1 4.5Å; L111-L169 HydrophobicContact CD2-CD1 3.85Å; L111-L169 HydrophobicContact CG-CD1 4.22Å; L111-L169 PolarHBondContact N-O 3.18Å; L111-L169 WeakPolarHBondContact O-CB 3.48Å; L111-L169 PolarHBondContact O-N 3.41Å; L113-L169 HydrophobicContact CB-CD1 4.1Å; L143-L169 HydrophobicContact CD2-CD1 4.17Å; L143-L169 HydrophobicContact CD2-CD2 3.34Å; L143-L169 HydrophobicContact CD2-CG 4.29Å; F145-L169 HydrophobicContact CB-CD2 3.76Å; F145-L169 HydrophobicContact CD1-CB 4.12Å; F145-L169 HydrophobicContact CD1-CD2 4.4Å; F145-L169 HydrophobicContact CG-CD2 4.43Å; F150-L169 HydrophobicContact CD2-CD2 3.86Å; F150-L169 HydrophobicContact CE2-CD2 3.34Å; F150-L169 HydrophobicContact CE2-CG 4.49Å; F150-L169 HydrophobicContact CZ-CD2 4.18Å; L169-V195 HydrophobicContact CD1-CG2 4.11Å
170E91.6Very high77.6Confident41 Ų4166.7 Ų66.719%0.19237%0.372CS..EExtended strand (participates in β ladder)trans-76133.1172.7-169.9177.7160.300110.9R108 Y110 Q148R108-E170 WeakPolarHBondContact CD-OE1 3.39Å; R108-E170 IonicContact CZ-OE1 2.8Å; R108-E170 IonicContact NE-OE1 3.31Å; R108-E170 IonicContact NH1-OE1 3.05Å; R108-E170 PolarHBondContact NH1-OE1 3.13Å; R108-E170 IonicContact NH1-OE2 3.48Å; R108-E170 PolarHBondContact NH1-OE2 3.18Å; Y110-E170 HydrophobicContact CD1-CB 4.02Å; Y110-E170 HydrophobicContact CD1-CG 4.26Å; Y110-E170 HydrophobicContact CE1-CB 3.97Å; Y110-E170 HydrophobicContact CE1-CG 3.95Å; Q148-E170 PolarHBondContact NE2-O 3.38Å
171I89.4Confident76.5Confident4 Ų470 Ų702%0.02139%0.385CS..EExtended strand (participates in β ladder)trans-103.5107.4175.8-49.5174.7000108.6R109 L111 V183 M188 M191 W218 L255R109-I171 HydrophobicContact CB-CB 4.3Å; R109-I171 HydrophobicContact CG-CD1 4.18Å; R109-I171 PolarHBondContact O-N 3.1Å; L111-I171 HydrophobicContact CB-CD1 3.96Å; L111-I171 HydrophobicContact CB-CG1 4.12Å; I171-V183 WeakPolarHBondContact O-CG2 3.04Å; I171-M188 HydrophobicContact CD1-SD 3.73Å; I171-M188 HydrophobicContact CG2-CG 4.11Å; I171-M188 HydrophobicContact CG2-SD 4.37Å; I171-M191 HydrophobicContact CG2-CE 4.2Å; I171-M191 HydrophobicContact CG2-SD 3.5Å; I171-M191 VanDerWaalsContact CG2-SD 3.5Å; I171-W218 HydrophobicContact CD1-CH2 4.06Å; I171-W218 HydrophobicContact CD1-CZ3 3.88Å; I171-W218 HydrophobicContact CG2-CH2 4.21Å; I171-L255 HydrophobicContact CD1-CD2 3.66Å
172H83.4Confident76Confident19 Ų1973.9 Ų73.99%0.08840%0.403CS..  trans-137.1147.9-177.958.980.8000111.3R146 D174R146-H172 PolarHBondContact NH1-O 2.61Å; H172-D174 PolarHBondContact CE1-O 2.95Å; H172-D174 PolarHBondContact ND1-O 3.08Å
173R68.8Low75.7Confident156 Ų15669.6 Ų69.659%0.58938%0.381SS*.SBendtrans-70.1-39.3-175.7-83.7-171.2172-172.9-0114.1M191R173-M191 HydrophobicContact CB-CE 4.45Å; R173-M191 HydrophobicContact CG-CE 3.63Å
174D60.8Low75.6Confident108 Ų10873.9 Ų73.958%0.57840%0.403SS*.SBendtrans-108.9143-172.7-66.3-42.2000112.7H172 F176H172-D174 PolarHBondContact CE1-O 2.95Å; H172-D174 PolarHBondContact ND1-O 3.08Å; D174-F176 PolarHBondContact O-N 3.14Å
175S52.5Low75.4Confident82 Ų8268 Ų6857%0.57338%0.381SS*.SBendtrans-62.2-4.6-177.3-50.50000115.5
176F45.4Very low75Confident155 Ų15570.2 Ų70.268%0.6840%0.398SS*.SBendtrans-127.5128.1176.8-69.3-82.5000108.9D174 D178D174-F176 PolarHBondContact O-N 3.14Å; F176-D178 PolarHBondContact O-N 3.1Å
177G48.3Very low74.7Confident66 Ų6669 Ų6968%0.6839%0.386SS*.  trans-67.960.2-17400000114.5
178D45.3Very low74.5Confident140 Ų14068.7 Ų68.775%0.74938%0.384SS*.  trans-67.6145.7157.2-141.4-8.6000108F176 S180F176-D178 PolarHBondContact O-N 3.1Å; D178-S180 PolarHBondContact O-N 3.28Å
179G50.9Low74.3Confident70 Ų7067.2 Ų67.272%0.72238%0.377SS*.  trans-66.956.5-17300000113.9K181G179-K181 PolarHBondContact O-N 3.46Å
180S59.2Low74Confident50 Ų5070.6 Ų70.635%0.3540%0.4SS..  trans-68.3131.6-17377.90000109.7D178 M182D178-S180 PolarHBondContact O-N 3.28Å; S180-M182 PolarHBondContact O-N 3.39Å
181K70.4Confident73.8Confident198 Ų19869.1 Ų69.186%0.86139%0.393SS*.  trans-40.8135171.3-164.1178.5-175.6-178.20110.6G179 V183G179-K181 PolarHBondContact O-N 3.46Å; K181-V183 PolarHBondContact O-N 2.81Å
182M82.5Confident73.5Confident83 Ų8370.4 Ų70.441%0.40940%0.402SS..  trans-42.3128.9178.9-168.9174.757.400111.5S107 R109 S180 D184 P257S107-M182 VanDerWaalsContact O-CB 3.29Å; S107-M182 WeakPolarHBondContact O-CB 3.39Å; R109-M182 HydrophobicContact CB-CG 4.1Å; S180-M182 PolarHBondContact O-N 3.39Å; M182-D184 PolarHBondContact O-N 2.76Å; M182-P257 HydrophobicContact SD-CG 3.67Å
183V85.6Confident73.6Confident8 Ų871 Ų715%0.04841%0.406CS..  trans-68.5125.6-177.9-171.50000109.8I171 K181 A187 M188 M191I171-V183 WeakPolarHBondContact O-CG2 3.04Å; K181-V183 PolarHBondContact O-N 2.81Å; V183-A187 HydrophobicContact CG1-CB 3.45Å; V183-A187 VanDerWaalsContact CG1-CB 3.45Å; V183-M188 HydrophobicContact CB-CG 4.23Å; V183-M188 HydrophobicContact CG1-CG 3.62Å; V183-M191 HydrophobicContact CB-CE 4.45Å; V183-M191 HydrophobicContact CG1-CE 3.49Å; V183-M191 VanDerWaalsContact CG1-CE 3.49Å; V183-M191 HydrophobicContact CG1-SD 4.42Å; V183-M191 HydrophobicContact CG2-CE 4.14Å
184D87.1Confident74.6Confident94 Ų9463.6 Ų63.650%0.50338%0.379SS..  trans-78.9171.1176.268.324.4000112.7M182 T186 A187 M188M182-D184 PolarHBondContact O-N 2.76Å; D184-T186 VanDerWaalsContact C-N 3.34Å; D184-T186 PolarHBondContact O-N 2.81Å; D184-T186 PolarHBondContact OD1-N 2.82Å; D184-A187 PolarHBondContact O-N 2.94Å; D184-A187 WeakPolarHBondContact OD1-CA 3.5Å; D184-A187 WeakPolarHBondContact OD1-CB 3.32Å; D184-A187 PolarHBondContact OD1-N 3.45Å; D184-M188 WeakPolarHBondContact O-CG 3.48Å; D184-M188 PolarHBondContact O-N 3.37Å
185A87.8Confident76.2Confident15 Ų1558.5 Ų58.512%0.12435%0.351CS..Hα-helixtrans-61.1-40-17700000113M188 L189 L259 L263A185-M188 PolarHBondContact O-N 2.73Å; A185-L189 WeakPolarHBondContact O-CB 3.49Å; A185-L189 PolarHBondContact O-N 2.78Å; A185-L259 HydrophobicContact CB-CD1 3.95Å; A185-L259 HydrophobicContact CB-CD2 3.89Å; A185-L263 HydrophobicContact CB-CD1 4.2Å; A185-L263 HydrophobicContact CB-CD2 3.96Å; A185-L263 HydrophobicContact CB-CG 4.02Å
186T87.9Confident78.1Confident102 Ų10254.6 Ų54.663%0.62632%0.324SS*.Hα-helixtrans-67.2-42.3179.8-53.90000111.4D184 L189 S190D184-T186 VanDerWaalsContact C-N 3.34Å; D184-T186 PolarHBondContact O-N 2.81Å; D184-T186 PolarHBondContact OD1-N 2.82Å; T186-L189 PolarHBondContact O-N 3.22Å; T186-S190 PolarHBondContact O-N 3.11Å
187A88.6Confident80.5Confident3 Ų347.2 Ų47.23%0.02529%0.291CS..Hα-helixtrans-62.3-45.7173.900000110.8V183 D184 L189 S190 M191V183-A187 HydrophobicContact CG1-CB 3.45Å; V183-A187 VanDerWaalsContact CG1-CB 3.45Å; D184-A187 PolarHBondContact O-N 2.94Å; D184-A187 WeakPolarHBondContact OD1-CA 3.5Å; D184-A187 WeakPolarHBondContact OD1-CB 3.32Å; D184-A187 PolarHBondContact OD1-N 3.45Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 3.2Å; A187-S190 PolarHBondContact O-N 3.34Å; A187-S190 PolarHBondContact O-OG 3.08Å; A187-M191 WeakPolarHBondContact O-CG 3.32Å; A187-M191 PolarHBondContact O-N 3.34Å
188M90.2Very high82.8Confident0 Ų044 Ų440%026%0.259CS..Hα-helixtrans-60.4-40175.1-75.9-166.8-73.200112.6R109 I171 V183 D184 A185 S190 M191 W218 L222 L255 L259R109-M188 HydrophobicContact CG-CE 4.35Å; R109-M188 HydrophobicContact CG-SD 3.87Å; I171-M188 HydrophobicContact CD1-SD 3.73Å; I171-M188 HydrophobicContact CG2-CG 4.11Å; I171-M188 HydrophobicContact CG2-SD 4.37Å; V183-M188 HydrophobicContact CB-CG 4.23Å; V183-M188 HydrophobicContact CG1-CG 3.62Å; D184-M188 WeakPolarHBondContact O-CG 3.48Å; D184-M188 PolarHBondContact O-N 3.37Å; A185-M188 PolarHBondContact O-N 2.73Å; M188-S190 VanDerWaalsContact C-N 3.26Å; M188-S190 PolarHBondContact O-N 3.48Å; M188-M191 VanDerWaalsContact O-CB 3.32Å; M188-M191 WeakPolarHBondContact O-CB 3.38Å; M188-M191 PolarHBondContact O-N 2.66Å; M188-M191 VanDerWaalsContact O-N 3.08Å; M188-W218 HydrophobicContact CB-CH2 3.82Å; M188-W218 HydrophobicContact CB-CZ3 4.33Å; M188-W218 HydrophobicContact CG-CH2 4.06Å; M188-W218 HydrophobicContact SD-CH2 4.28Å; M188-W218 HydrophobicContact SD-CZ3 4.24Å; M188-L222 HydrophobicContact CB-CD1 4.06Å; M188-L222 HydrophobicContact CB-CD2 3.91Å; M188-L222 HydrophobicContact CE-CD2 3.59Å; M188-L222 HydrophobicContact SD-CD2 3.9Å; M188-L255 HydrophobicContact CE-CD1 4.36Å; M188-L259 HydrophobicContact CE-CD1 4.44Å; M188-L259 HydrophobicContact CE-CD2 3.62Å; M188-L259 HydrophobicContact CE-CG 4.33Å
189L90.5Very high85.2Confident18 Ų1837.4 Ų37.49%0.09422%0.223CC..Hα-helixtrans-60.7-36.8177.2-178.863.4000112A185 T186 A187 M191 R219 L222 L263 I267 I268 Q271A185-L189 WeakPolarHBondContact O-CB 3.49Å; A185-L189 PolarHBondContact O-N 2.78Å; T186-L189 PolarHBondContact O-N 3.22Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 3.2Å; L189-M191 PolarHBondContact O-N 2.91Å; L189-R219 WeakPolarHBondContact O-CD 3.32Å; L189-R219 PolarHBondContact O-NH1 3.03Å; L189-L222 HydrophobicContact CB-CD1 4.37Å; L189-L263 HydrophobicContact CB-CD1 3.96Å; L189-L263 HydrophobicContact CD1-CD1 4.42Å; L189-L263 HydrophobicContact CD2-CD1 4.14Å; L189-L263 HydrophobicContact CG-CD1 4.39Å; L189-I267 HydrophobicContact CD2-CG2 3.92Å; L189-I268 HydrophobicContact CD1-CB 4.4Å; L189-I268 HydrophobicContact CD1-CG1 4.15Å; L189-I268 HydrophobicContact CD1-CG2 4.36Å; L189-Q271 HydrophobicContact CD1-CB 4.05Å; L189-Q271 HydrophobicContact CD1-CG 4.01Å; L189-Q271 HydrophobicContact CD2-CB 4.44Å; L189-Q271 HydrophobicContact CD2-CG 4.47Å; L189-Q271 HydrophobicContact CG-CB 4.34Å; L189-Q271 HydrophobicContact CG-CG 4.01Å
190S87.6Confident87.5Confident70 Ų7034.1 Ų34.149%0.4919%0.189SC..THydrogen-bonded Turntrans-73.2-8.2177.3730000114.7T186 A187 M188 C192T186-S190 PolarHBondContact O-N 3.11Å; A187-S190 PolarHBondContact O-N 3.34Å; A187-S190 PolarHBondContact O-OG 3.08Å; M188-S190 VanDerWaalsContact C-N 3.26Å; M188-S190 PolarHBondContact O-N 3.48Å; S190-C192 PolarHBondContact O-N 2.99Å
191M87.2Confident89.2Confident11 Ų1134 Ų345%0.05418%0.183CC..  trans-83.9102.8178.7-63.9178.9173.200110.2R146 I171 R173 V183 A187 M188 L189 D193 W218 R219R146-M191 PolarHBondContact NH1-SD 2.89Å; R146-M191 VanDerWaalsContact NH2-CB 3.31Å; R146-M191 PolarHBondContact NH2-SD 3.45Å; I171-M191 HydrophobicContact CG2-CE 4.2Å; I171-M191 HydrophobicContact CG2-SD 3.5Å; I171-M191 VanDerWaalsContact CG2-SD 3.5Å; R173-M191 HydrophobicContact CB-CE 4.45Å; R173-M191 HydrophobicContact CG-CE 3.63Å; V183-M191 HydrophobicContact CB-CE 4.45Å; V183-M191 HydrophobicContact CG1-CE 3.49Å; V183-M191 VanDerWaalsContact CG1-CE 3.49Å; V183-M191 HydrophobicContact CG1-SD 4.42Å; V183-M191 HydrophobicContact CG2-CE 4.14Å; A187-M191 WeakPolarHBondContact O-CG 3.32Å; A187-M191 PolarHBondContact O-N 3.34Å; M188-M191 VanDerWaalsContact O-CB 3.32Å; M188-M191 WeakPolarHBondContact O-CB 3.38Å; M188-M191 PolarHBondContact O-N 2.66Å; M188-M191 VanDerWaalsContact O-N 3.08Å; L189-M191 PolarHBondContact O-N 2.91Å; M191-D193 VanDerWaalsContact C-N 3.33Å; M191-W218 HydrophobicContact CB-CZ2 3.95Å; M191-W218 HydrophobicContact SD-CZ2 4.36Å; M191-R219 WeakPolarHBondContact O-CD 3.35Å
192C83.1Confident90.3Very high31 Ų3126.2 Ų26.221%0.20915%0.151CC..  trans-87.32.6-179.160.50000114.2S190 A194 F509S190-C192 PolarHBondContact O-N 2.99Å; C192-A194 PolarHBondContact O-N 3.04Å; C192-F509 HydrophobicContact CB-CD2 4.25Å; C192-F509 WeakPolarHBondContact O-CD2 3.35Å; C192-F509 VanDerWaalsContact O-CE2 3.26Å; C192-F509 WeakPolarHBondContact O-CE2 3.5Å
193D86.6Confident90.7Very high30 Ų3025.1 Ų25.116%0.1615%0.147CC..  trans-66.6120.7177.8-57.6-70000110.6F145 R146 M191 W218F145-D193 HydrophobicContact CE2-CB 4.2Å; R146-D193 HydrophobicContact CG-CB 4.33Å; R146-D193 IonicContact CZ-OD2 3.09Å; R146-D193 VanDerWaalsContact CZ-OD2 3.29Å; R146-D193 IonicContact NE-OD2 3.78Å; R146-D193 PolarHBondContact NE-OD2 3.4Å; R146-D193 IonicContact NH2-OD2 3.98Å; R146-D193 PolarHBondContact NH2-OD2 2.91Å; M191-D193 VanDerWaalsContact C-N 3.33Å; D193-W218 PolarHBondContact O-NE1 3.04Å
194A89.8Confident90.8Very high2 Ų228.8 Ų28.82%0.01717%0.17CC..  trans-78.9153.2172.700000111.6C192 H196 F215 L216 F509C192-A194 PolarHBondContact O-N 3.04Å; A194-H196 PolarHBondContact O-N 2.78Å; A194-F215 HydrophobicContact CB-CB 3.91Å; A194-F215 HydrophobicContact CB-CD1 4.31Å; A194-L216 WeakPolarHBondContact CA-O 3.42Å; A194-F509 HydrophobicContact CB-CE1 4.19Å; A194-F509 HydrophobicContact CB-CZ 3.97Å
195V92.9Very high90.7Very high0 Ų027.5 Ų27.50%017%0.168CC..EExtended strand (participates in β ladder)trans-79.9115.6165.1178.80000107.8L111 L113 L143 F145 L169 L197 L216 W218L111-V195 HydrophobicContact CD2-CG2 4.35Å; L113-V195 HydrophobicContact CD1-CG1 4.1Å; L143-V195 HydrophobicContact CD1-CG1 3.76Å; L143-V195 HydrophobicContact CD2-CG1 3.66Å; L143-V195 HydrophobicContact CG-CG1 3.52Å; F145-V195 HydrophobicContact CB-CG2 4.34Å; F145-V195 HydrophobicContact CD2-CB 4.46Å; F145-V195 HydrophobicContact CD2-CG2 3.61Å; F145-V195 HydrophobicContact CE2-CG2 4.15Å; F145-V195 HydrophobicContact CG-CG2 4.11Å; L169-V195 HydrophobicContact CD1-CG2 4.11Å; V195-L197 HydrophobicContact CG1-CD2 3.96Å; V195-L216 HydrophobicContact CB-CB 4.25Å; V195-L216 PolarHBondContact N-O 2.98Å; V195-L216 PolarHBondContact O-N 2.97Å; V195-W218 HydrophobicContact CG2-CB 4.35Å; V195-W218 HydrophobicContact CG2-CG 4.46Å
196H93.6Very high90.6Very high0 Ų029 Ų290%019%0.186CC..EExtended strand (participates in β ladder)trans-86.8114179.3-173.5-168.5000110.1L143 H144 A194 V198 S213 F215 T368 M370 P512L143-H196 CarbonylContact C-O 3.5Å; L143-H196 WeakPolarHBondContact CA-O 3.41Å; H144-H196 HydrophobicContact CB-CB 4.27Å; H144-H196 PolarHBondContact N-O 3.11Å; H144-H196 PolarHBondContact O-N 3.15Å; A194-H196 PolarHBondContact O-N 2.78Å; H196-V198 WeakPolarHBondContact NE2-CG2 3.36Å; H196-S213 PolarHBondContact NE2-OG 3.09Å; H196-F215 HydrophobicContact CB-CD1 4.06Å; H196-F215 HydrophobicContact CB-CE1 3.86Å; H196-F215 AromaticContact CD2-CD1 3.92Å; H196-F215 AromaticContact CD2-CE1 3.42Å; H196-F215 VanDerWaalsContact CD2-CE1 3.42Å; H196-F215 WeakPolarHBondContact CD2-CE1 3.38Å; H196-F215 AromaticContact CD2-CZ 3.79Å; H196-F215 AromaticContact CE1-CE1 3.88Å; H196-F215 AromaticContact CE1-CZ 3.85Å; H196-F215 AromaticContact CG-CE1 3.43Å; H196-F215 VanDerWaalsContact CG-CE1 3.43Å; H196-F215 AromaticContact ND1-CE1 3.74Å; H196-F215 AromaticContact NE2-CE1 3.72Å; H196-F215 AromaticContact NE2-CZ 3.62Å; H196-T368 PolarHBondContact CE1-OG1 3.31Å; H196-M370 WeakPolarHBondContact ND1-CB 3.26Å; H196-P512 HydrophobicContact CB-CG 4.47Å
197L95.4Very high90.6Very high0 Ų027.2 Ų27.20%017%0.17CC..EExtended strand (participates in β ladder)trans-99.9124.2176.4-56.7179.1000109.2L141 Y142 L143 V195 S213 Y214 L216 M235L141-L197 HydrophobicContact CD1-CB 4.31Å; Y142-L197 WeakPolarHBondContact O-CA 3.32Å; L143-L197 HydrophobicContact CB-CD2 4.29Å; L143-L197 HydrophobicContact CD1-CD2 3.61Å; L143-L197 HydrophobicContact CG-CD2 3.8Å; V195-L197 HydrophobicContact CG1-CD2 3.96Å; L197-S213 CarbonylContact O-C 3.53Å; L197-Y214 HydrophobicContact CD1-CD1 4.33Å; L197-Y214 PolarHBondContact N-O 2.76Å; L197-Y214 PolarHBondContact O-N 3.11Å; L197-L216 HydrophobicContact CD1-CB 4.34Å; L197-L216 HydrophobicContact CD1-CD2 4.43Å; L197-M235 HydrophobicContact CB-CE 4.33Å
198V96.1Very high90.8Very high0 Ų028.5 Ų28.50%018%0.178CC..EExtended strand (participates in β ladder)trans-124117.5178.5175.80000109Y142 H196 I200 L210 S212 M370 C374Y142-V198 PolarHBondContact N-O 2.8Å; Y142-V198 PolarHBondContact O-N 2.79Å; H196-V198 WeakPolarHBondContact NE2-CG2 3.36Å; V198-I200 HydrophobicContact CG1-CD1 3.83Å; V198-I200 HydrophobicContact CG1-CG1 4.13Å; V198-L210 HydrophobicContact CG1-CD1 3.55Å; V198-S212 WeakPolarHBondContact CA-O 3.42Å; V198-M370 HydrophobicContact CG2-CG 3.9Å; V198-C374 HydrophobicContact CG1-CB 4.04Å
199L97.4Very high90.9Very high0 Ų031.3 Ų31.30%020%0.195CC..EExtended strand (participates in β ladder)trans-99.2118.6178.3-172.466000109.8F121 F139 L141 I211 S212 M235F121-L199 HydrophobicContact CE1-CD2 3.54Å; F121-L199 HydrophobicContact CZ-CD2 3.94Å; F139-L199 HydrophobicContact CB-CD1 4.1Å; F139-L199 HydrophobicContact CD1-CG 4.44Å; F139-L199 HydrophobicContact CG-CD1 4.47Å; L141-L199 HydrophobicContact CB-CD1 4.34Å; L141-L199 HydrophobicContact CD1-CD1 4.35Å; L199-I211 HydrophobicContact CB-CB 4.39Å; L199-I211 HydrophobicContact CD2-CB 4.23Å; L199-I211 HydrophobicContact CD2-CG2 4.03Å; L199-I211 HydrophobicContact CG-CB 4.26Å; L199-I211 PolarHBondContact O-N 2.79Å; L199-S212 PolarHBondContact N-O 2.83Å; L199-S212 PolarHBondContact O-N 2.8Å; L199-M235 HydrophobicContact CB-CE 4.35Å
200I97.3Very high91.1Very high1 Ų131.1 Ų31.11%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-110.7134.4177.4-58.1-60.3000109.2F139 T140 Y142 V198 T208 T209 L210 C374 R375F139-I200 CarbonylContact C-O 3.55Å; F139-I200 WeakPolarHBondContact CA-O 3.42Å; T140-I200 PolarHBondContact N-O 3.13Å; T140-I200 PolarHBondContact O-N 2.82Å; Y142-I200 HydrophobicContact CD2-CB 4.34Å; Y142-I200 HydrophobicContact CD2-CG1 3.78Å; Y142-I200 HydrophobicContact CE2-CB 3.96Å; Y142-I200 HydrophobicContact CE2-CG1 3.7Å; V198-I200 HydrophobicContact CG1-CD1 3.83Å; V198-I200 HydrophobicContact CG1-CG1 4.13Å; I200-T208 HydrophobicContact CG2-CG2 4.11Å; I200-T209 WeakPolarHBondContact CA-O 3.44Å; I200-L210 HydrophobicContact CD1-CB 4.21Å; I200-L210 HydrophobicContact CD1-CD1 3.71Å; I200-C374 HydrophobicContact CD1-CB 4.24Å; I200-C374 HydrophobicContact CG1-CB 3.99Å; I200-R375 HydrophobicContact CD1-CB 4.29Å
201K95.9Very high91.5Very high48 Ų4828.9 Ų28.921%0.20918%0.176CC..EExtended strand (participates in β ladder)trans-96.5136.9165.1172.8179.2177.5-179.80108.7H124 T138 F139 T208 T209 I211H124-K201 PolarHBondContact CE1-NZ 2.87Å; T138-K201 CarbonylContact O-C 3.58Å; T138-K201 WeakPolarHBondContact O-CA 3.33Å; F139-K201 HydrophobicContact CD1-CB 3.97Å; F139-K201 HydrophobicContact CE1-CB 3.97Å; F139-K201 HydrophobicContact CE1-CD 4.36Å; F139-K201 HydrophobicContact CE1-CG 4.33Å; K201-T208 CarbonylContact O-C 3.48Å; K201-T208 VanDerWaalsContact O-CA 3.29Å; K201-T208 WeakPolarHBondContact O-CA 3.36Å; K201-T209 WeakPolarHBondContact CB-OG1 3.39Å; K201-T209 PolarHBondContact N-O 3.43Å; K201-T209 PolarHBondContact O-N 2.92Å; K201-I211 HydrophobicContact CB-CD1 3.75Å; K201-I211 HydrophobicContact CB-CG1 3.67Å; K201-I211 HydrophobicContact CD-CD1 4.11Å
202T94.1Very high91.9Very high34 Ų3428.4 Ų28.421%0.20917%0.174CC..EExtended strand (participates in β ladder)trans-116.6123.6170.8-56.20000107.5P137 T138 E207P137-T202 CarbonylContact C-O 3.54Å; P137-T202 WeakPolarHBondContact CA-O 3.47Å; T138-T202 PolarHBondContact N-O 3.26Å; T138-T202 PolarHBondContact O-N 3.47Å; T202-E207 WeakPolarHBondContact CA-O 3.36Å
203D91.3Very high92.5Very high60 Ų6027.1 Ų27.132%0.32117%0.165SC..  trans-79.7178.9178.277.87.2000112.3S205 G206 E207D203-S205 VanDerWaalsContact CG-OG 3.24Å; D203-S205 PolarHBondContact O-N 3.32Å; D203-S205 VanDerWaalsContact OD1-CA 3.26Å; D203-S205 WeakPolarHBondContact OD1-CA 3.32Å; D203-S205 WeakPolarHBondContact OD1-CB 3.42Å; D203-S205 PolarHBondContact OD1-N 3.45Å; D203-S205 PolarHBondContact OD1-OG 3.44Å; D203-S205 PolarHBondContact OD2-OG 3.36Å; D203-G206 PolarHBondContact O-N 2.9Å; D203-G206 VanDerWaalsContact O-N 3.13Å; D203-G206 PolarHBondContact OD1-N 3.35Å; D203-E207 PolarHBondContact N-O 3.38Å; D203-E207 PolarHBondContact OD1-N 3.02Å
204T87.6Confident92.8Very high85 Ų8529.2 Ų29.252%0.52117%0.172SC..THydrogen-bonded Turntrans-68.2-16.4179.656.80000113.8V135V135-T204 HydrophobicContact CB-CG2 4.48Å; V135-T204 HydrophobicContact CG1-CG2 4.07Å; V135-T204 VanDerWaalsContact O-CG2 3.32Å; V135-T204 WeakPolarHBondContact O-CG2 3.25Å
205S83.8Confident92.9Very high67 Ų6730.6 Ų30.647%0.46918%0.177SC..THydrogen-bonded Turntrans-88.2-11.7176.281.20000112.7D203 E207D203-S205 VanDerWaalsContact CG-OG 3.24Å; D203-S205 PolarHBondContact O-N 3.32Å; D203-S205 VanDerWaalsContact OD1-CA 3.26Å; D203-S205 WeakPolarHBondContact OD1-CA 3.32Å; D203-S205 WeakPolarHBondContact OD1-CB 3.42Å; D203-S205 PolarHBondContact OD1-N 3.45Å; D203-S205 PolarHBondContact OD1-OG 3.44Å; D203-S205 PolarHBondContact OD2-OG 3.36Å; S205-E207 WeakPolarHBondContact OG-CG 3.4Å
206G85.5Confident92.9Very high48 Ų4830.8 Ų30.850%0.49518%0.178SC..SBendtrans90.96.3-175.300000113.8D203D203-G206 PolarHBondContact O-N 2.9Å; D203-G206 VanDerWaalsContact O-N 3.13Å; D203-G206 PolarHBondContact OD1-N 3.35Å
207E87.5Confident92.8Very high63 Ų6332.1 Ų32.129%0.29419%0.186SC..  trans-75.7136.9175.3-67.8-69.5155.300110.1T202 D203 S205 K377 R610T202-E207 WeakPolarHBondContact CA-O 3.36Å; D203-E207 PolarHBondContact N-O 3.38Å; D203-E207 PolarHBondContact OD1-N 3.02Å; S205-E207 WeakPolarHBondContact OG-CG 3.4Å; E207-K377 IonicContact OE2-NZ 2.8Å; E207-K377 PolarHBondContact OE2-NZ 2.81Å; E207-R610 IonicContact OE1-NH1 2.98Å; E207-R610 PolarHBondContact OE1-NH1 3.48Å
208T93.1Very high92.6Very high30 Ų3032.1 Ų32.118%0.18419%0.186CC..EExtended strand (participates in β ladder)trans-101.8139.7-17648.50000111.3I200 K201 R375 K377I200-T208 HydrophobicContact CG2-CG2 4.11Å; K201-T208 CarbonylContact O-C 3.48Å; K201-T208 VanDerWaalsContact O-CA 3.29Å; K201-T208 WeakPolarHBondContact O-CA 3.36Å; T208-R375 WeakPolarHBondContact CB-O 3.44Å; T208-R375 PolarHBondContact OG1-O 2.77Å; T208-K377 WeakPolarHBondContact O-CE 3.49Å; T208-K377 PolarHBondContact O-NZ 3.37Å; T208-K377 VanDerWaalsContact O-NZ 3.16Å; T208-K377 WeakPolarHBondContact OG1-CE 3.26Å
209T93.4Very high92.5Very high60 Ų6032.2 Ų32.237%0.36819%0.186SC..EExtended strand (participates in β ladder)trans-130.3137.7171.860.50000110.2I200 K201I200-T209 WeakPolarHBondContact CA-O 3.44Å; K201-T209 WeakPolarHBondContact CB-OG1 3.39Å; K201-T209 PolarHBondContact N-O 3.43Å; K201-T209 PolarHBondContact O-N 2.92Å
210L94.8Very high92.2Very high14 Ų1435.8 Ų35.87%0.07320%0.204CC..EExtended strand (participates in β ladder)trans-78.8120.5173.6176.465000108.4V198 I200 S212 V238 E316 A371V198-L210 HydrophobicContact CG1-CD1 3.55Å; I200-L210 HydrophobicContact CD1-CB 4.21Å; I200-L210 HydrophobicContact CD1-CD1 3.71Å; L210-S212 WeakPolarHBondContact CD1-O 3.49Å; L210-V238 HydrophobicContact CB-CG2 4.45Å; L210-V238 HydrophobicContact CD2-CB 4.37Å; L210-V238 HydrophobicContact CD2-CG1 3.89Å; L210-V238 HydrophobicContact CD2-CG2 4.3Å; L210-V238 HydrophobicContact CG-CG1 3.91Å; L210-V238 HydrophobicContact CG-CG2 4.15Å; L210-V238 VanDerWaalsContact O-CG2 3.29Å; L210-V238 WeakPolarHBondContact O-CG2 3.12Å; L210-E316 HydrophobicContact CD2-CB 3.96Å; L210-E316 HydrophobicContact CD2-CG 4.03Å; L210-A371 HydrophobicContact CD2-CB 4Å
211I95.5Very high92Very high22 Ų2235.8 Ų35.811%0.11320%0.203CC..EExtended strand (participates in β ladder)trans-95.3-43.4179.2-56.9-58.4000110.5F139 L199 K201 G237 A246F139-I211 HydrophobicContact CE1-CG1 4.11Å; L199-I211 HydrophobicContact CB-CB 4.39Å; L199-I211 HydrophobicContact CD2-CB 4.23Å; L199-I211 HydrophobicContact CD2-CG2 4.03Å; L199-I211 HydrophobicContact CG-CB 4.26Å; L199-I211 PolarHBondContact O-N 2.79Å; K201-I211 HydrophobicContact CB-CD1 3.75Å; K201-I211 HydrophobicContact CB-CG1 3.67Å; K201-I211 HydrophobicContact CD-CD1 4.11Å; I211-G237 WeakPolarHBondContact O-CA 3.45Å; I211-A246 HydrophobicContact CG2-CB 3.75Å
212S95.8Very high91.9Very high1 Ų133.5 Ų33.51%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-154.7148.7-176.9-170.90000112.5V198 L199 L210 M236V198-S212 WeakPolarHBondContact CA-O 3.42Å; L199-S212 PolarHBondContact N-O 2.83Å; L199-S212 PolarHBondContact O-N 2.8Å; L210-S212 WeakPolarHBondContact CD1-O 3.49Å; S212-M236 WeakPolarHBondContact CA-O 3.33Å; S212-M236 WeakPolarHBondContact CB-O 3.44Å; S212-M236 PolarHBondContact OG-N 2.84Å; S212-M236 PolarHBondContact OG-O 2.93Å
213S94.3Very high91.8Very high4 Ų432.5 Ų32.53%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-133.3102.5175.3-177.40000108.9H196 L197 E316 N317H196-S213 PolarHBondContact NE2-OG 3.09Å; L197-S213 CarbonylContact O-C 3.53Å; S213-E316 WeakPolarHBondContact CB-OE1 3.35Å; S213-E316 PolarHBondContact OG-OE1 3.22Å; S213-N317 PolarHBondContact O-ND2 3.26Å; S213-N317 PolarHBondContact O-OD1 3.47Å
214Y93.3Very high91.7Very high74 Ų7430.8 Ų30.829%0.2918%0.183SC..EExtended strand (participates in β ladder)trans-120.2136.2-170.6-172.5-90.5000112.6L197 L216 V233 M235L197-Y214 HydrophobicContact CD1-CD1 4.33Å; L197-Y214 PolarHBondContact N-O 2.76Å; L197-Y214 PolarHBondContact O-N 3.11Å; Y214-L216 HydrophobicContact CD1-CB 4.13Å; Y214-L216 HydrophobicContact CE1-CB 3.97Å; Y214-L216 HydrophobicContact CE1-CD1 4.16Å; Y214-V233 HydrophobicContact CD1-CG1 3.62Å; Y214-V233 HydrophobicContact CD2-CG1 4.24Å; Y214-V233 HydrophobicContact CE1-CG1 3.44Å; Y214-V233 VanDerWaalsContact CE1-CG1 3.44Å; Y214-V233 HydrophobicContact CE2-CG1 4.08Å; Y214-V233 HydrophobicContact CG-CG1 4.02Å; Y214-M235 HydrophobicContact CG-SD 4.37Å
215F91.9Very high91.5Very high31 Ų3131.6 Ų31.614%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-104.3102.4177.8-65.2-72.6000110.5A194 H196 T368 P512A194-F215 HydrophobicContact CB-CB 3.91Å; A194-F215 HydrophobicContact CB-CD1 4.31Å; H196-F215 HydrophobicContact CB-CD1 4.06Å; H196-F215 HydrophobicContact CB-CE1 3.86Å; H196-F215 AromaticContact CD2-CD1 3.92Å; H196-F215 AromaticContact CD2-CE1 3.42Å; H196-F215 VanDerWaalsContact CD2-CE1 3.42Å; H196-F215 WeakPolarHBondContact CD2-CE1 3.38Å; H196-F215 AromaticContact CD2-CZ 3.79Å; H196-F215 AromaticContact CE1-CE1 3.88Å; H196-F215 AromaticContact CE1-CZ 3.85Å; H196-F215 AromaticContact CG-CE1 3.43Å; H196-F215 VanDerWaalsContact CG-CE1 3.43Å; H196-F215 AromaticContact ND1-CE1 3.74Å; H196-F215 AromaticContact NE2-CE1 3.72Å; H196-F215 AromaticContact NE2-CZ 3.62Å; F215-T368 HydrophobicContact CZ-CG2 4.47Å; F215-P512 HydrophobicContact CD1-CG 4.47Å; F215-P512 HydrophobicContact CE1-CB 4.33Å; F215-P512 HydrophobicContact CE1-CG 3.59Å; F215-P512 HydrophobicContact CZ-CG 4.32Å
216L92.8Very high91.5Very high4 Ų432.8 Ų32.82%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-87.1121-178.3176.766.6000111.7L113 A194 V195 L197 Y214 W218 F231 V233 V251 L253L113-L216 HydrophobicContact CD1-CD2 3.7Å; A194-L216 WeakPolarHBondContact CA-O 3.42Å; V195-L216 HydrophobicContact CB-CB 4.25Å; V195-L216 PolarHBondContact N-O 2.98Å; V195-L216 PolarHBondContact O-N 2.97Å; L197-L216 HydrophobicContact CD1-CB 4.34Å; L197-L216 HydrophobicContact CD1-CD2 4.43Å; Y214-L216 HydrophobicContact CD1-CB 4.13Å; Y214-L216 HydrophobicContact CE1-CB 3.97Å; Y214-L216 HydrophobicContact CE1-CD1 4.16Å; L216-W218 PolarHBondContact O-N 3.14Å; L216-F231 HydrophobicContact CD1-CE2 3.66Å; L216-F231 HydrophobicContact CD1-CZ 3.81Å; L216-V233 HydrophobicContact CD1-CG2 4.21Å; L216-V251 HydrophobicContact CD2-CG1 4.4Å; L216-L253 HydrophobicContact CD2-CD2 4.37Å
217D91.8Very high91.6Very high29 Ų2930.6 Ų30.616%0.15518%0.175CC..  trans-77.5112.2164.8-162.8-37.4000109.9R219 Q272 F509D217-R219 VanDerWaalsContact OD1-CB 3.26Å; D217-R219 WeakPolarHBondContact OD1-CB 3.41Å; D217-R219 WeakPolarHBondContact OD1-CG 3.31Å; D217-R219 IonicContact OD1-CZ 2.68Å; D217-R219 PolarHBondContact OD1-N 3.42Å; D217-R219 IonicContact OD1-NE 3.98Å; D217-R219 PolarHBondContact OD1-NE 3.34Å; D217-R219 VanDerWaalsContact OD1-NE 3.09Å; D217-R219 IonicContact OD1-NH2 3.79Å; D217-R219 IonicContact OD2-CZ 3.72Å; D217-R219 IonicContact OD2-NE 3.47Å; D217-R219 PolarHBondContact OD2-NE 3.06Å; D217-R219 IonicContact OD2-NH2 2.78Å; D217-R219 PolarHBondContact OD2-NH2 3.25Å; D217-Q272 PolarHBondContact OD1-NE2 3.01Å; D217-Q272 PolarHBondContact OD2-NE2 3.25Å; D217-F509 HydrophobicContact CB-CE2 4.42Å; D217-F509 HydrophobicContact CB-CZ 3.69Å
218W92.6Very high91.9Very high0 Ų031.4 Ų31.40%018%0.178CC..  trans-84.4-14.1-177.359.5-88.5000113.4L111 F145 I171 M188 M191 D193 V195 L216 M220 V221 L222 L253L111-W218 HydrophobicContact CD2-CB 3.5Å; L111-W218 VanDerWaalsContact CD2-CB 3.5Å; L111-W218 HydrophobicContact CD2-CD2 4.1Å; L111-W218 HydrophobicContact CD2-CE3 4.26Å; L111-W218 HydrophobicContact CD2-CG 3.79Å; F145-W218 AromaticContact CE2-CD1 3.82Å; F145-W218 AromaticContact CE2-NE1 3.47Å; F145-W218 HydrophobicContact CZ-CZ2 4.35Å; F145-W218 AromaticContact CZ-NE1 3.74Å; I171-W218 HydrophobicContact CD1-CH2 4.06Å; I171-W218 HydrophobicContact CD1-CZ3 3.88Å; I171-W218 HydrophobicContact CG2-CH2 4.21Å; M188-W218 HydrophobicContact CB-CH2 3.82Å; M188-W218 HydrophobicContact CB-CZ3 4.33Å; M188-W218 HydrophobicContact CG-CH2 4.06Å; M188-W218 HydrophobicContact SD-CH2 4.28Å; M188-W218 HydrophobicContact SD-CZ3 4.24Å; M191-W218 HydrophobicContact CB-CZ2 3.95Å; M191-W218 HydrophobicContact SD-CZ2 4.36Å; D193-W218 PolarHBondContact O-NE1 3.04Å; V195-W218 HydrophobicContact CG2-CB 4.35Å; V195-W218 HydrophobicContact CG2-CG 4.46Å; L216-W218 PolarHBondContact O-N 3.14Å; W218-M220 PolarHBondContact O-N 2.76Å; W218-V221 HydrophobicContact CE3-CG1 4.19Å; W218-V221 VanDerWaalsContact O-CG1 3.22Å; W218-V221 WeakPolarHBondContact O-CG1 3.36Å; W218-V221 PolarHBondContact O-N 2.82Å; W218-V221 VanDerWaalsContact O-N 3.15Å; W218-L222 HydrophobicContact CZ3-CD1 4.5Å; W218-L222 HydrophobicContact CZ3-CD2 4.32Å; W218-L222 HydrophobicContact CZ3-CG 4.44Å; W218-L253 HydrophobicContact CB-CD1 4.11Å
219R93.3Very high92Very high1 Ų131 Ų310%0.00418%0.175CC..G310 helixtrans-67-13.6-169.4-67.8175-72.2-176.2-2114.1L189 M191 D217 V221 L222 I268 E275L189-R219 WeakPolarHBondContact O-CD 3.32Å; L189-R219 PolarHBondContact O-NH1 3.03Å; M191-R219 WeakPolarHBondContact O-CD 3.35Å; D217-R219 VanDerWaalsContact OD1-CB 3.26Å; D217-R219 WeakPolarHBondContact OD1-CB 3.41Å; D217-R219 WeakPolarHBondContact OD1-CG 3.31Å; D217-R219 IonicContact OD1-CZ 2.68Å; D217-R219 PolarHBondContact OD1-N 3.42Å; D217-R219 IonicContact OD1-NE 3.98Å; D217-R219 PolarHBondContact OD1-NE 3.34Å; D217-R219 VanDerWaalsContact OD1-NE 3.09Å; D217-R219 IonicContact OD1-NH2 3.79Å; D217-R219 IonicContact OD2-CZ 3.72Å; D217-R219 IonicContact OD2-NE 3.47Å; D217-R219 PolarHBondContact OD2-NE 3.06Å; D217-R219 IonicContact OD2-NH2 2.78Å; D217-R219 PolarHBondContact OD2-NH2 3.25Å; R219-V221 PolarHBondContact O-N 2.62Å; R219-V221 VanDerWaalsContact O-N 3.11Å; R219-L222 HydrophobicContact CB-CD1 3.95Å; R219-L222 HydrophobicContact CG-CD1 4.11Å; R219-L222 VanDerWaalsContact O-CB 3.25Å; R219-L222 WeakPolarHBondContact O-CB 3.26Å; R219-L222 WeakPolarHBondContact O-CG 3.15Å; R219-L222 PolarHBondContact O-N 3.17Å; R219-I268 HydrophobicContact CB-CG2 4.33Å; R219-E275 IonicContact CZ-OE2 2.77Å; R219-E275 VanDerWaalsContact CZ-OE2 3.24Å; R219-E275 VanDerWaalsContact NH1-CD 3.26Å; R219-E275 IonicContact NH1-OE1 3.24Å; R219-E275 PolarHBondContact NH1-OE1 2.65Å; R219-E275 IonicContact NH1-OE2 2.77Å; R219-E275 PolarHBondContact NH1-OE2 3.48Å; R219-E275 IonicContact NH2-OE2 3.95Å; R219-E275 PolarHBondContact NH2-OE2 2.89Å
220M91.1Very high92.1Very high76 Ų7632 Ų3237%0.37418%0.184SC..G310 helixtrans-54.4-28.4171.3-63.8-56.8-66.700112.5W218 L222 G223 I268W218-M220 PolarHBondContact O-N 2.76Å; M220-L222 PolarHBondContact O-N 3.33Å; M220-G223 PolarHBondContact O-N 2.81Å; M220-I268 HydrophobicContact SD-CG2 4.41Å
221V93.5Very high92.1Very high0 Ų034.4 Ų34.40%019%0.193CC..G310 helixtrans-64.9-23.6176.977.60000113.4L111 W218 R219 G223 S224 C227 L253 L255L111-V221 HydrophobicContact CD1-CG1 4.09Å; W218-V221 HydrophobicContact CE3-CG1 4.19Å; W218-V221 VanDerWaalsContact O-CG1 3.22Å; W218-V221 WeakPolarHBondContact O-CG1 3.36Å; W218-V221 PolarHBondContact O-N 2.82Å; W218-V221 VanDerWaalsContact O-N 3.15Å; R219-V221 PolarHBondContact O-N 2.62Å; R219-V221 VanDerWaalsContact O-N 3.11Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 2.78Å; V221-S224 PolarHBondContact O-N 3.25Å; V221-C227 WeakPolarHBondContact CG2-O 3.49Å; V221-L253 HydrophobicContact CB-CB 4.17Å; V221-L253 HydrophobicContact CG2-CB 4.04Å; V221-L255 HydrophobicContact CG1-CD1 3.79Å; V221-L255 HydrophobicContact CG1-CD2 4.03Å; V221-L255 HydrophobicContact CG1-CG 3.71Å; V221-L255 HydrophobicContact CG2-CG 4.07Å
222L93.6Very high92.2Very high0 Ų036.7 Ų36.70%022%0.216CC..G310 helixtrans-69.3-23.5-177.7-60.5172000113.1M188 L189 W218 R219 M220 L255 L259 L263 I268M188-L222 HydrophobicContact CB-CD1 4.06Å; M188-L222 HydrophobicContact CB-CD2 3.91Å; M188-L222 HydrophobicContact CE-CD2 3.59Å; M188-L222 HydrophobicContact SD-CD2 3.9Å; L189-L222 HydrophobicContact CB-CD1 4.37Å; W218-L222 HydrophobicContact CZ3-CD1 4.5Å; W218-L222 HydrophobicContact CZ3-CD2 4.32Å; W218-L222 HydrophobicContact CZ3-CG 4.44Å; R219-L222 HydrophobicContact CB-CD1 3.95Å; R219-L222 HydrophobicContact CG-CD1 4.11Å; R219-L222 VanDerWaalsContact O-CB 3.25Å; R219-L222 WeakPolarHBondContact O-CB 3.26Å; R219-L222 WeakPolarHBondContact O-CG 3.15Å; R219-L222 PolarHBondContact O-N 3.17Å; M220-L222 PolarHBondContact O-N 3.33Å; L222-L255 HydrophobicContact CD2-CD1 3.78Å; L222-L259 HydrophobicContact CD2-CD1 3.99Å; L222-L263 HydrophobicContact CB-CD1 4.05Å; L222-L263 HydrophobicContact CB-CG 4.48Å; L222-L263 HydrophobicContact CD1-CD1 4.13Å; L222-L263 PolarHBondContact O-N 3.41Å; L222-I268 HydrophobicContact CB-CD1 3.94Å
223G91.4Very high92.1Very high14 Ų1436.7 Ų36.714%0.14422%0.216CC..G310 helixtrans-105.41.8-179.800000114.6M220 V221 L263 I268M220-G223 PolarHBondContact O-N 2.81Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 2.78Å; G223-L263 WeakPolarHBondContact CA-O 3.19Å; G223-I268 VanDerWaalsContact N-CD1 3.33Å
224S89.8Confident92.2Very high24 Ų2441.4 Ų41.417%0.16824%0.237CC..SBendtrans-87.2141.1-177.6-165.90000112.1V221 S226 C227 K228 T262V221-S224 PolarHBondContact O-N 3.25Å; S224-S226 PolarHBondContact O-N 3.35Å; S224-C227 WeakPolarHBondContact O-CA 3.4Å; S224-C227 PolarHBondContact O-N 3.2Å; S224-K228 VanDerWaalsContact CB-O 3.31Å; S224-K228 WeakPolarHBondContact CB-O 3.39Å; S224-K228 PolarHBondContact OG-O 2.89Å; S224-T262 WeakPolarHBondContact O-CG2 3.32Å
225P82.8Confident92.3Very high101 Ų10137.9 Ų37.966%0.65622%0.224SC*.G310 helixtrans-52.2138.9168.7-22.832.6000110.6C227 K228P225-C227 PolarHBondContact O-N 3.48Å; P225-C227 VanDerWaalsContact O-N 3.1Å; P225-K228 PolarHBondContact O-N 3.29Å
226S83.6Confident92.4Very high93 Ų9338.9 Ų38.965%0.6523%0.229SC*.G310 helixtrans59.910.8-174.568.60000116S224 K228S224-S226 PolarHBondContact O-N 3.35Å; S226-K228 PolarHBondContact O-N 2.87Å
227C87.9Confident92.5Very high1 Ų138.9 Ų38.91%0.00723%0.23CC..G310 helixtrans52.639.4-174.7-59.10000113.1V221 S224 P225 E254 L255 L259V221-C227 WeakPolarHBondContact CG2-O 3.49Å; S224-C227 WeakPolarHBondContact O-CA 3.4Å; S224-C227 PolarHBondContact O-N 3.2Å; P225-C227 PolarHBondContact O-N 3.48Å; P225-C227 VanDerWaalsContact O-N 3.1Å; C227-E254 WeakPolarHBondContact O-CA 3.26Å; C227-L255 HydrophobicContact CB-CB 3.89Å; C227-L255 HydrophobicContact CB-CD1 4.21Å; C227-L255 HydrophobicContact CB-CG 4.35Å; C227-L255 PolarHBondContact O-N 3.48Å; C227-L259 VanDerWaalsContact SG-CB 3.51Å; C227-L259 PolarHBondContact SG-N 2.95Å
228K93.3Very high92.5Very high81 Ų8138.8 Ų38.835%0.35223%0.23SC..EExtended strand (participates in β ladder)trans-130.6131.5179-173.3173-173.5136.80111S224 P225 S226 L253 E254S224-K228 VanDerWaalsContact CB-O 3.31Å; S224-K228 WeakPolarHBondContact CB-O 3.39Å; S224-K228 PolarHBondContact OG-O 2.89Å; P225-K228 PolarHBondContact O-N 3.29Å; S226-K228 PolarHBondContact O-N 2.87Å; K228-L253 CarbonylContact C-O 3.48Å; K228-L253 VanDerWaalsContact CA-O 3.22Å; K228-L253 WeakPolarHBondContact CA-O 3.4Å; K228-E254 HydrophobicContact CB-CG 4.25Å; K228-E254 HydrophobicContact CD-CG 4.42Å; K228-E254 HydrophobicContact CG-CB 4.28Å; K228-E254 HydrophobicContact CG-CG 4.3Å; K228-E254 IonicContact NZ-OE2 2.71Å; K228-E254 PolarHBondContact NZ-OE2 2.86Å
229T94.7Very high92.3Very high22 Ų2239.2 Ų39.214%0.13524%0.235CC..EExtended strand (participates in β ladder)trans-127.5157.917556.50000110.7S252 L253T229-S252 CarbonylContact O-C 3.51Å; T229-S252 WeakPolarHBondContact O-CA 3.48Å; T229-S252 WeakPolarHBondContact O-CB 3.41Å; T229-S252 PolarHBondContact O-OG 3.23Å; T229-L253 PolarHBondContact N-O 2.81Å; T229-L253 PolarHBondContact O-N 2.97Å; T229-L253 WeakPolarHBondContact OG1-CB 3.37Å
230C95.6Very high91.9Very high80 Ų8043.9 Ų43.954%0.54126%0.26SS..EExtended strand (participates in β ladder)trans-144.9124.8172.1-174.80000108.1V251C230-V251 CarbonylContact C-O 3.56Å; C230-V251 WeakPolarHBondContact CA-O 3.14Å
231F95.9Very high91.7Very high64 Ų6444.5 Ų44.528%0.28126%0.262SS..EExtended strand (participates in β ladder)trans-154.8164.1-176.754.8-87000111.2L216 V233 V251 L253L216-F231 HydrophobicContact CD1-CE2 3.66Å; L216-F231 HydrophobicContact CD1-CZ 3.81Å; F231-V233 HydrophobicContact CD2-CG2 3.94Å; F231-V233 HydrophobicContact CE2-CG2 3.61Å; F231-V251 PolarHBondContact N-O 2.82Å; F231-V251 PolarHBondContact O-N 3.44Å; F231-L253 HydrophobicContact CE1-CD1 3.92Å; F231-L253 HydrophobicContact CE1-CG 4.09Å; F231-L253 HydrophobicContact CZ-CD1 3.91Å; F231-L253 HydrophobicContact CZ-CG 4.25Å
232A96.4Very high91.5Very high70 Ų7045.8 Ų45.858%0.57927%0.271SS*.EExtended strand (participates in β ladder)trans-88.4136.4175.400000110.5V248 L249A232-V248 HydrophobicContact CB-CG1 3.77Å; A232-L249 CarbonylContact C-O 3.55Å; A232-L249 WeakPolarHBondContact CA-O 3.45Å
233V95.6Very high91.4Very high1 Ų154.5 Ų54.51%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-112116.1173.4176.90000108.1Y214 L216 F231 M235 V248 L249 V251Y214-V233 HydrophobicContact CD1-CG1 3.62Å; Y214-V233 HydrophobicContact CD2-CG1 4.24Å; Y214-V233 HydrophobicContact CE1-CG1 3.44Å; Y214-V233 VanDerWaalsContact CE1-CG1 3.44Å; Y214-V233 HydrophobicContact CE2-CG1 4.08Å; Y214-V233 HydrophobicContact CG-CG1 4.02Å; L216-V233 HydrophobicContact CD1-CG2 4.21Å; F231-V233 HydrophobicContact CD2-CG2 3.94Å; F231-V233 HydrophobicContact CE2-CG2 3.61Å; V233-M235 HydrophobicContact CG1-SD 3.79Å; V233-M235 PolarHBondContact O-N 2.85Å; V233-V248 CarbonylContact O-C 3.54Å; V233-V248 WeakPolarHBondContact O-CA 3.38Å; V233-L249 PolarHBondContact N-O 3.22Å; V233-L249 PolarHBondContact O-N 3.26Å; V233-V251 HydrophobicContact CB-CG2 4.3Å; V233-V251 HydrophobicContact CG2-CB 4.14Å; V233-V251 HydrophobicContact CG2-CG2 3.76Å
234E96.1Very high91.4Very high104 Ų10458.6 Ų58.649%0.48633%0.326SS..EExtended strand (participates in β ladder)trans-79.3113.6174.2-170.1174-162.400109.5M236 P245E234-M236 HydrophobicContact CG-SD 3.99Å; E234-M236 PolarHBondContact O-N 2.79Å; E234-P245 HydrophobicContact CG-CB 3.81Å; E234-P245 VanDerWaalsContact OE1-CB 3.3Å; E234-P245 WeakPolarHBondContact OE1-CB 3.36Å
235M94.8Very high91.6Very high0 Ų060.6 Ų60.60%034%0.338CS..EExtended strand (participates in β ladder)trans-87.6104.4-179.8-58.6-62-69.700108.1L197 L199 Y214 V233 A246 G247 L249L197-M235 HydrophobicContact CB-CE 4.33Å; L199-M235 HydrophobicContact CB-CE 4.35Å; Y214-M235 HydrophobicContact CG-SD 4.37Å; V233-M235 HydrophobicContact CG1-SD 3.79Å; V233-M235 PolarHBondContact O-N 2.85Å; M235-A246 WeakPolarHBondContact O-CB 3.38Å; M235-A246 PolarHBondContact O-N 2.8Å; M235-G247 WeakPolarHBondContact CB-O 3.45Å; M235-G247 PolarHBondContact N-O 2.89Å; M235-G247 PolarHBondContact O-N 3.43Å; M235-L249 HydrophobicContact CE-CD1 4.15Å; M235-L249 HydrophobicContact CG-CD1 3.97Å; M235-L249 HydrophobicContact CG-CG 3.78Å; M235-L249 HydrophobicContact SD-CD1 3.77Å; M235-L249 HydrophobicContact SD-CG 4.17Å
236M94.9Very high92.2Very high52 Ų5256.7 Ų56.726%0.25632%0.315SS..EExtended strand (participates in β ladder)trans-72.5147.7176.7-57-53.6-66.200110.8S212 E234 K243 P245S212-M236 WeakPolarHBondContact CA-O 3.33Å; S212-M236 WeakPolarHBondContact CB-O 3.44Å; S212-M236 PolarHBondContact OG-N 2.84Å; S212-M236 PolarHBondContact OG-O 2.93Å; E234-M236 HydrophobicContact CG-SD 3.99Å; E234-M236 PolarHBondContact O-N 2.79Å; M236-K243 WeakPolarHBondContact CE-O 3.28Å; M236-P245 HydrophobicContact SD-CB 4.32Å
237G93.1Very high92.7Very high3 Ų352.3 Ų52.33%0.03129%0.285CS..  trans-61.1-175.5169.600000112.2I211 E241 S242 I244I211-G237 WeakPolarHBondContact O-CA 3.45Å; G237-E241 WeakPolarHBondContact CA-O 3.4Å; G237-S242 WeakPolarHBondContact O-CA 3.33Å; G237-I244 PolarHBondContact N-O 3.03Å
238V92Very high93.2Very high27 Ų2754.2 Ų54.216%0.16430%0.296CS..  trans-124.8161.3-179.8-640000112L210 N240 E241 E316L210-V238 HydrophobicContact CB-CG2 4.45Å; L210-V238 HydrophobicContact CD2-CB 4.37Å; L210-V238 HydrophobicContact CD2-CG1 3.89Å; L210-V238 HydrophobicContact CD2-CG2 4.3Å; L210-V238 HydrophobicContact CG-CG1 3.91Å; L210-V238 HydrophobicContact CG-CG2 4.15Å; L210-V238 VanDerWaalsContact O-CG2 3.29Å; L210-V238 WeakPolarHBondContact O-CG2 3.12Å; V238-N240 PolarHBondContact O-N 2.91Å; V238-E241 PolarHBondContact O-N 2.7Å; V238-E241 VanDerWaalsContact O-N 3.07Å; V238-E316 CarbonylContact C-O 3.52Å; V238-E316 VanDerWaalsContact CA-O 3.28Å; V238-E316 WeakPolarHBondContact CA-O 3.42Å; V238-E316 HydrophobicContact CB-CB 4.37Å; V238-E316 WeakPolarHBondContact CB-O 3.42Å; V238-E316 HydrophobicContact CG1-CB 4.32Å; V238-E316 HydrophobicContact CG1-CG 4.39Å
239G88.3Confident93.4Very high10 Ų1050.3 Ų50.310%0.10328%0.279CS..G310 helixtrans60-120-179.200000111.8E241 S242 E316G239-E241 PolarHBondContact O-N 2.8Å; G239-S242 VanDerWaalsContact O-CB 3.23Å; G239-S242 WeakPolarHBondContact O-CB 3.4Å; G239-S242 PolarHBondContact O-N 3.03Å; G239-S242 PolarHBondContact O-OG 3.33Å; G239-E316 PolarHBondContact N-O 3.47Å
240N85.3Confident93.5Very high98 Ų9851.3 Ų51.352%0.52429%0.285SS..G310 helixtrans-69.8-20.2180-70.4-34.1000113.7V238 S242 Q363V238-N240 PolarHBondContact O-N 2.91Å; N240-S242 VanDerWaalsContact C-N 3.35Å; N240-Q363 PolarHBondContact ND2-OE1 3.47Å; N240-Q363 VanDerWaalsContact OD1-CD 3.3Å; N240-Q363 PolarHBondContact OD1-NE2 3.44Å; N240-Q363 PolarHBondContact OD1-OE1 3.21Å
241E88.2Confident93.6Very high90 Ų9047.5 Ų47.542%0.42126%0.26SS..G310 helixtrans-97.710.8178.8-63.2173.4176.200111.5G237 V238 G239 K243 I244G237-E241 WeakPolarHBondContact CA-O 3.4Å; V238-E241 PolarHBondContact O-N 2.7Å; V238-E241 VanDerWaalsContact O-N 3.07Å; G239-E241 PolarHBondContact O-N 2.8Å; E241-K243 PolarHBondContact O-N 2.85Å; E241-I244 HydrophobicContact CB-CB 4.49Å; E241-I244 HydrophobicContact CG-CD1 4.38Å; E241-I244 PolarHBondContact O-N 3.36Å; E241-I244 VanDerWaalsContact O-O 3.07Å
242S89.1Confident93.6Very high26 Ų2644.7 Ų44.718%0.18225%0.248CC..THydrogen-bonded Turntrans-59.1-14.7179.152.90000115.2G237 G239 N240G237-S242 WeakPolarHBondContact O-CA 3.33Å; G239-S242 VanDerWaalsContact O-CB 3.23Å; G239-S242 WeakPolarHBondContact O-CB 3.4Å; G239-S242 PolarHBondContact O-N 3.03Å; G239-S242 PolarHBondContact O-OG 3.33Å; N240-S242 VanDerWaalsContact C-N 3.35Å
243K90.6Very high93.7Very high184 Ų18441.3 Ų41.380%0.822%0.22SC*.THydrogen-bonded Turntrans-1041.9175.2-61.2-178.7-177.5176.20113.7M236 E241M236-K243 WeakPolarHBondContact CE-O 3.28Å; E241-K243 PolarHBondContact O-N 2.85Å
244I92.4Very high93.7Very high100 Ų10043.3 Ų43.351%0.51323%0.229SC..SBendtrans-112.2129.4-178.4-56.9176.8000107.6G237 E241 A246G237-I244 PolarHBondContact N-O 3.03Å; E241-I244 HydrophobicContact CB-CB 4.49Å; E241-I244 HydrophobicContact CG-CD1 4.38Å; E241-I244 PolarHBondContact O-N 3.36Å; E241-I244 VanDerWaalsContact O-O 3.07Å; I244-A246 PolarHBondContact O-N 2.87Å
245P93.8Very high93.6Very high65 Ų6538.4 Ų38.442%0.42221%0.206SC..EExtended strand (participates in β ladder)trans-68.6128.6175.226.9-32.3000110.8E234 M236E234-P245 HydrophobicContact CG-CB 3.81Å; E234-P245 VanDerWaalsContact OE1-CB 3.3Å; E234-P245 WeakPolarHBondContact OE1-CB 3.36Å; M236-P245 HydrophobicContact SD-CB 4.32Å
246A94.4Very high93.3Very high19 Ų1940.3 Ų40.316%0.15722%0.215CC..EExtended strand (participates in β ladder)trans-81.8-29172.300000111.9F121 I211 M235 I244F121-A246 WeakPolarHBondContact CA-O 3.34Å; F121-A246 VanDerWaalsContact CD1-O 3.26Å; F121-A246 WeakPolarHBondContact CD1-O 3.2Å; I211-A246 HydrophobicContact CG2-CB 3.75Å; M235-A246 WeakPolarHBondContact O-CB 3.38Å; M235-A246 PolarHBondContact O-N 2.8Å; I244-A246 PolarHBondContact O-N 2.87Å
247G95.6Very high93.1Very high2 Ų239.9 Ų39.92%0.02122%0.216CC..EExtended strand (participates in β ladder)trans171.8-176.8177.700000112.3M235M235-G247 WeakPolarHBondContact CB-O 3.45Å; M235-G247 PolarHBondContact N-O 2.89Å; M235-G247 PolarHBondContact O-N 3.43Å
248V96.9Very high92.9Very high40 Ų4043.6 Ų43.624%0.24224%0.239CC..EExtended strand (participates in β ladder)trans-126.8132.5-178.1-178.80000110.1G118 K119 A232 V233G118-V248 CarbonylContact C-O 3.52Å; G118-V248 WeakPolarHBondContact CA-O 3.4Å; K119-V248 PolarHBondContact N-O 2.93Å; K119-V248 PolarHBondContact O-N 3.43Å; A232-V248 HydrophobicContact CB-CG1 3.77Å; V233-V248 CarbonylContact O-C 3.54Å; V233-V248 WeakPolarHBondContact O-CA 3.38Å
249L97Very high92.7Very high0 Ų043.5 Ų43.50%024%0.238CC..EExtended strand (participates in β ladder)trans-104.6135171.3-62.2-178.5000110.2V115 F121 L141 L163 A232 V233 M235 V251V115-L249 HydrophobicContact CG1-CB 4.38Å; V115-L249 HydrophobicContact CG1-CD2 4.28Å; F121-L249 HydrophobicContact CE2-CD2 4.28Å; F121-L249 HydrophobicContact CZ-CD2 4.1Å; L141-L249 HydrophobicContact CD1-CD1 4.35Å; L141-L249 HydrophobicContact CD2-CD1 4.33Å; L163-L249 HydrophobicContact CD1-CD2 4.08Å; A232-L249 CarbonylContact C-O 3.55Å; A232-L249 WeakPolarHBondContact CA-O 3.45Å; V233-L249 PolarHBondContact N-O 3.22Å; V233-L249 PolarHBondContact O-N 3.26Å; M235-L249 HydrophobicContact CE-CD1 4.15Å; M235-L249 HydrophobicContact CG-CD1 3.97Å; M235-L249 HydrophobicContact CG-CG 3.78Å; M235-L249 HydrophobicContact SD-CD1 3.77Å; M235-L249 HydrophobicContact SD-CG 4.17Å; L249-V251 HydrophobicContact CB-CG2 4.15Å
250T97.4Very high92.6Very high43 Ų4352.8 Ų52.826%0.26428%0.278SS..EExtended strand (participates in β ladder)trans-88.8116.2168.4-540000108.5L116 G117L116-T250 HydrophobicContact CB-CG2 4.17Å; L116-T250 HydrophobicContact CD1-CG2 4.06Å; L116-T250 HydrophobicContact CG-CG2 4.49Å; L116-T250 PolarHBondContact N-O 2.93Å; G117-T250 PolarHBondContact O-N 2.77Å
251V97.4Very high92.7Very high0 Ų056 Ų560%029%0.29CS..EExtended strand (participates in β ladder)trans-117.3134.5-174.1-179.50000110.2L113 Q114 L216 C230 F231 V233 L249 L253L113-V251 HydrophobicContact CD1-CG1 4.35Å; L113-V251 HydrophobicContact CD2-CG1 4.18Å; L113-V251 HydrophobicContact CG-CG1 3.95Å; Q114-V251 CarbonylContact O-C 3.44Å; Q114-V251 WeakPolarHBondContact O-CA 3.34Å; L216-V251 HydrophobicContact CD2-CG1 4.4Å; C230-V251 CarbonylContact C-O 3.56Å; C230-V251 WeakPolarHBondContact CA-O 3.14Å; F231-V251 PolarHBondContact N-O 2.82Å; F231-V251 PolarHBondContact O-N 3.44Å; V233-V251 HydrophobicContact CB-CG2 4.3Å; V233-V251 HydrophobicContact CG2-CB 4.14Å; V233-V251 HydrophobicContact CG2-CG2 3.76Å; L249-V251 HydrophobicContact CB-CG2 4.15Å; V251-L253 HydrophobicContact CG1-CD2 4.05Å
252S96.9Very high92.8Very high4 Ų455 Ų553%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-115135.8169.1-173.70000110.6Q114 T229Q114-S252 PolarHBondContact N-O 2.67Å; Q114-S252 PolarHBondContact O-N 2.98Å; T229-S252 CarbonylContact O-C 3.51Å; T229-S252 WeakPolarHBondContact O-CA 3.48Å; T229-S252 WeakPolarHBondContact O-CB 3.41Å; T229-S252 PolarHBondContact O-OG 3.23Å
253L97.2Very high92.9Very high0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-116.1137.6175.2-56.4180000109.2L111 Y112 L113 L216 W218 V221 K228 T229 F231 V251L111-L253 HydrophobicContact CD1-CB 4.04Å; L111-L253 HydrophobicContact CD1-CD2 4.37Å; Y112-L253 CarbonylContact O-C 3.45Å; Y112-L253 WeakPolarHBondContact O-CA 3.13Å; L113-L253 HydrophobicContact CB-CD2 3.8Å; L113-L253 HydrophobicContact CD1-CD2 3.63Å; L113-L253 HydrophobicContact CG-CD2 3.56Å; L216-L253 HydrophobicContact CD2-CD2 4.37Å; W218-L253 HydrophobicContact CB-CD1 4.11Å; V221-L253 HydrophobicContact CB-CB 4.17Å; V221-L253 HydrophobicContact CG2-CB 4.04Å; K228-L253 CarbonylContact C-O 3.48Å; K228-L253 VanDerWaalsContact CA-O 3.22Å; K228-L253 WeakPolarHBondContact CA-O 3.4Å; T229-L253 PolarHBondContact N-O 2.81Å; T229-L253 PolarHBondContact O-N 2.97Å; T229-L253 WeakPolarHBondContact OG1-CB 3.37Å; F231-L253 HydrophobicContact CE1-CD1 3.92Å; F231-L253 HydrophobicContact CE1-CG 4.09Å; F231-L253 HydrophobicContact CZ-CD1 3.91Å; F231-L253 HydrophobicContact CZ-CG 4.25Å; V251-L253 HydrophobicContact CG1-CD2 4.05Å
254E95.7Very high93Very high42 Ų4250.7 Ų50.720%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-140.6134.5176.6-169.5170.4167.600110.5Y112 C227 K228 F256Y112-E254 PolarHBondContact N-O 3.48Å; Y112-E254 PolarHBondContact O-N 2.61Å; C227-E254 WeakPolarHBondContact O-CA 3.26Å; K228-E254 HydrophobicContact CB-CG 4.25Å; K228-E254 HydrophobicContact CD-CG 4.42Å; K228-E254 HydrophobicContact CG-CB 4.28Å; K228-E254 HydrophobicContact CG-CG 4.3Å; K228-E254 IonicContact NZ-OE2 2.71Å; K228-E254 PolarHBondContact NZ-OE2 2.86Å; E254-F256 HydrophobicContact CB-CE2 3.87Å; E254-F256 HydrophobicContact CB-CZ 4.35Å; E254-F256 HydrophobicContact CG-CD2 4.37Å; E254-F256 HydrophobicContact CG-CE1 4.4Å; E254-F256 HydrophobicContact CG-CE2 3.59Å; E254-F256 HydrophobicContact CG-CZ 3.63Å; E254-F256 WeakPolarHBondContact OE1-CZ 3.45Å
255L93.9Very high92.9Very high2 Ų249.1 Ų49.11%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-93.4136.4176.2-69.2175.1000112.4Y110 L111 I171 M188 V221 L222 C227 P257 L259Y110-L255 WeakPolarHBondContact O-CA 3.38Å; L111-L255 HydrophobicContact CB-CD2 4.23Å; L111-L255 HydrophobicContact CD1-CD2 3.94Å; I171-L255 HydrophobicContact CD1-CD2 3.66Å; M188-L255 HydrophobicContact CE-CD1 4.36Å; V221-L255 HydrophobicContact CG1-CD1 3.79Å; V221-L255 HydrophobicContact CG1-CD2 4.03Å; V221-L255 HydrophobicContact CG1-CG 3.71Å; V221-L255 HydrophobicContact CG2-CG 4.07Å; L222-L255 HydrophobicContact CD2-CD1 3.78Å; C227-L255 HydrophobicContact CB-CB 3.89Å; C227-L255 HydrophobicContact CB-CD1 4.21Å; C227-L255 HydrophobicContact CB-CG 4.35Å; C227-L255 PolarHBondContact O-N 3.48Å; L255-P257 CarbonylContact C-O 3.59Å; L255-P257 CarbonylContact O-C 3.54Å; L255-L259 HydrophobicContact CD1-CD1 4.47Å; L255-L259 HydrophobicContact CD1-CG 4.4Å
256F89.9Confident92.8Very high39 Ų3951.3 Ų51.317%0.17128%0.277CS..EExtended strand (participates in β ladder)trans-127.4129175.4-67.7-77.9000112.1L104 Y110 Y112 E254L104-F256 HydrophobicContact CD1-CB 4.41Å; Y110-F256 PolarHBondContact N-O 3.2Å; Y110-F256 PolarHBondContact O-N 2.96Å; Y112-F256 AromaticContact CD1-CE2 3.95Å; Y112-F256 HydrophobicContact CD1-CE2 3.95Å; Y112-F256 HydrophobicContact CG-CE2 4.16Å; E254-F256 HydrophobicContact CB-CE2 3.87Å; E254-F256 HydrophobicContact CB-CZ 4.35Å; E254-F256 HydrophobicContact CG-CD2 4.37Å; E254-F256 HydrophobicContact CG-CE1 4.4Å; E254-F256 HydrophobicContact CG-CE2 3.59Å; E254-F256 HydrophobicContact CG-CZ 3.63Å; E254-F256 WeakPolarHBondContact OE1-CZ 3.45Å
257P89.8Confident92.8Very high44 Ų4454.7 Ų54.729%0.28629%0.292SS..SBendcis-57.5167.3-17.627.2-34.3000111.3R108 R109 M182 L255R108-P257 WeakPolarHBondContact O-CD 3.42Å; R109-P257 PolarHBondContact NE-O 2.74Å; R109-P257 PolarHBondContact NH1-O 3.14Å; R109-P257 VanDerWaalsContact NH1-O 3.13Å; R109-P257 PolarHBondContact NH2-O 2.66Å; M182-P257 HydrophobicContact SD-CG 3.67Å; L255-P257 CarbonylContact C-O 3.59Å; L255-P257 CarbonylContact O-C 3.54Å
258P88.6Confident92.7Very high81 Ų8154.7 Ų54.753%0.52629%0.291SS..PPolyproline II helixtrans-68.4162.4174.927.5-34000112.1R109R109-P258 PolarHBondContact NH1-O 2.93Å; R109-P258 PolarHBondContact NH2-O 2.86Å
259L88.3Confident92.5Very high25 Ų2555.8 Ų55.813%0.13130%0.298CS..PPolyproline II helixtrans-75.6142.6172.6-71.6174.2000108.6R109 A185 M188 L222 C227 L255 E261R109-L259 VanDerWaalsContact NH2-CG 3.29Å; A185-L259 HydrophobicContact CB-CD1 3.95Å; A185-L259 HydrophobicContact CB-CD2 3.89Å; M188-L259 HydrophobicContact CE-CD1 4.44Å; M188-L259 HydrophobicContact CE-CD2 3.62Å; M188-L259 HydrophobicContact CE-CG 4.33Å; L222-L259 HydrophobicContact CD2-CD1 3.99Å; C227-L259 VanDerWaalsContact SG-CB 3.51Å; C227-L259 PolarHBondContact SG-N 2.95Å; L255-L259 HydrophobicContact CD1-CD1 4.47Å; L255-L259 HydrophobicContact CD1-CG 4.4Å; L259-E261 WeakPolarHBondContact CB-O 3.4Å
260Q85.8Confident92.3Very high204 Ų20459.5 Ų59.595%0.95332%0.321SS*.SBendtrans-67.9-41.5171.1-68.9179.1-10.700110.7
261E86.9Confident92.1Very high166 Ų16659.9 Ų59.978%0.77632%0.32SS*.SBendtrans-127.5127.3175.3-66.2-177.3175.500109.6L259L259-E261 WeakPolarHBondContact CB-O 3.4Å
262T90.3Very high91.8Very high68 Ų6861 Ų6142%0.41732%0.324SS..PPolyproline II helixtrans-81.6148.4176.152.90000110.6S224S224-T262 WeakPolarHBondContact O-CG2 3.32Å
263L92Very high91.5Very high32 Ų3263.5 Ų63.517%0.16834%0.342CS..PPolyproline II helixtrans-75.5148.4175.4-61.7177.6000110.7A185 L189 L222 G223 T265 I268A185-L263 HydrophobicContact CB-CD1 4.2Å; A185-L263 HydrophobicContact CB-CD2 3.96Å; A185-L263 HydrophobicContact CB-CG 4.02Å; L189-L263 HydrophobicContact CB-CD1 3.96Å; L189-L263 HydrophobicContact CD1-CD1 4.42Å; L189-L263 HydrophobicContact CD2-CD1 4.14Å; L189-L263 HydrophobicContact CG-CD1 4.39Å; L222-L263 HydrophobicContact CB-CD1 4.05Å; L222-L263 HydrophobicContact CB-CG 4.48Å; L222-L263 HydrophobicContact CD1-CD1 4.13Å; L222-L263 PolarHBondContact O-N 3.41Å; G223-L263 WeakPolarHBondContact CA-O 3.19Å; L263-T265 PolarHBondContact O-N 2.91Å; L263-I268 HydrophobicContact CB-CD1 4.13Å; L263-I268 HydrophobicContact CB-CG1 4.16Å
264N92.4Very high91.3Very high89 Ų8967.4 Ų67.448%0.47636%0.363SS..PPolyproline II helixtrans-64.2130.2170.8-176.4-15.2000109.6D266 I267 I268N264-D266 PolarHBondContact O-N 2.95Å; N264-D266 PolarHBondContact OD1-N 2.91Å; N264-I267 HydrophobicContact CB-CD1 3.93Å; N264-I267 HydrophobicContact CB-CG1 4.07Å; N264-I267 WeakPolarHBondContact O-CB 3.38Å; N264-I267 PolarHBondContact O-N 2.97Å; N264-I268 PolarHBondContact O-N 3Å
265T90.5Very high91Very high66 Ų6666.3 Ų66.341%0.40536%0.358SS..Hα-helixtrans-52.9-36.9177.6-48.20000112.4L263 I267 I268 V269L263-T265 PolarHBondContact O-N 2.91Å; T265-I267 VanDerWaalsContact C-N 3.28Å; T265-I267 PolarHBondContact O-N 2.8Å; T265-I268 PolarHBondContact O-N 3.09Å; T265-I268 VanDerWaalsContact O-N 3.16Å; T265-V269 HydrophobicContact CG2-CG2 4.31Å; T265-V269 WeakPolarHBondContact O-CG2 3.45Å; T265-V269 PolarHBondContact O-N 2.86Å
266D93Very high90.7Very high111 Ų11173.4 Ų73.459%0.59438%0.384SS*.Hα-helixtrans-62.9-35.6178.2-66.5-30.5000112.1N264 T270N264-D266 PolarHBondContact O-N 2.95Å; N264-D266 PolarHBondContact OD1-N 2.91Å; D266-T270 WeakPolarHBondContact O-CB 3.38Å; D266-T270 PolarHBondContact O-N 3.03Å; D266-T270 PolarHBondContact O-OG1 2.84Å
267I93.5Very high90.8Very high91 Ų9177.9 Ų77.947%0.46741%0.406SS..Hα-helixtrans-67.2-42.7176.7-61.6173.6000109.8L189 N264 T265 T270 Q271L189-I267 HydrophobicContact CD2-CG2 3.92Å; N264-I267 HydrophobicContact CB-CD1 3.93Å; N264-I267 HydrophobicContact CB-CG1 4.07Å; N264-I267 WeakPolarHBondContact O-CB 3.38Å; N264-I267 PolarHBondContact O-N 2.97Å; T265-I267 VanDerWaalsContact C-N 3.28Å; T265-I267 PolarHBondContact O-N 2.8Å; I267-T270 PolarHBondContact O-N 3.44Å; I267-Q271 WeakPolarHBondContact O-CB 3.39Å; I267-Q271 PolarHBondContact O-N 3.15Å
268I92.6Very high90.8Very high1 Ų182.9 Ų82.91%0.00542%0.419CS..Hα-helixtrans-63.4-50.5179-58169.2000110.3L189 R219 M220 L222 G223 L263 N264 T265 T270 Q271 Q272L189-I268 HydrophobicContact CD1-CB 4.4Å; L189-I268 HydrophobicContact CD1-CG1 4.15Å; L189-I268 HydrophobicContact CD1-CG2 4.36Å; R219-I268 HydrophobicContact CB-CG2 4.33Å; M220-I268 HydrophobicContact SD-CG2 4.41Å; L222-I268 HydrophobicContact CB-CD1 3.94Å; G223-I268 VanDerWaalsContact N-CD1 3.33Å; L263-I268 HydrophobicContact CB-CD1 4.13Å; L263-I268 HydrophobicContact CB-CG1 4.16Å; N264-I268 PolarHBondContact O-N 3Å; T265-I268 PolarHBondContact O-N 3.09Å; T265-I268 VanDerWaalsContact O-N 3.16Å; I268-T270 VanDerWaalsContact C-N 3.32Å; I268-T270 PolarHBondContact O-N 2.88Å; I268-Q271 PolarHBondContact O-N 2.93Å; I268-Q272 WeakPolarHBondContact O-CG 3.29Å; I268-Q272 PolarHBondContact O-N 2.91Å
269V93.2Very high90.8Very high63 Ų6380 Ų8038%0.38240%0.4SS..Hα-helixtrans-61.8-41.7179173.40000111T265 Q272 S273T265-V269 HydrophobicContact CG2-CG2 4.31Å; T265-V269 WeakPolarHBondContact O-CG2 3.45Å; T265-V269 PolarHBondContact O-N 2.86Å; V269-Q272 PolarHBondContact O-N 2.86Å; V269-S273 WeakPolarHBondContact O-CB 3.5Å; V269-S273 PolarHBondContact O-N 2.81Å
270T93.8Very high90.9Very high78 Ų7881.3 Ų81.348%0.47941%0.414SS..Hα-helixtrans-62.6-46.6176.6-60.50000111D266 I267 I268 Q272 S273 L274D266-T270 WeakPolarHBondContact O-CB 3.38Å; D266-T270 PolarHBondContact O-N 3.03Å; D266-T270 PolarHBondContact O-OG1 2.84Å; I267-T270 PolarHBondContact O-N 3.44Å; I268-T270 VanDerWaalsContact C-N 3.32Å; I268-T270 PolarHBondContact O-N 2.88Å; T270-Q272 PolarHBondContact O-N 2.8Å; T270-S273 PolarHBondContact O-N 3.42Å; T270-L274 HydrophobicContact CG2-CD1 4.03Å; T270-L274 HydrophobicContact CG2-CG 4.41Å; T270-L274 WeakPolarHBondContact O-CG 3.45Å; T270-L274 PolarHBondContact O-N 2.9Å
271Q91.9Very high91.2Very high52 Ų5275.3 Ų75.324%0.24339%0.386CS..Hα-helixtrans-58.6-49.2176.4178.96614.900111.3L189 I267 I268 S273 L274 E275L189-Q271 HydrophobicContact CD1-CB 4.05Å; L189-Q271 HydrophobicContact CD1-CG 4.01Å; L189-Q271 HydrophobicContact CD2-CB 4.44Å; L189-Q271 HydrophobicContact CD2-CG 4.47Å; L189-Q271 HydrophobicContact CG-CB 4.34Å; L189-Q271 HydrophobicContact CG-CG 4.01Å; I267-Q271 WeakPolarHBondContact O-CB 3.39Å; I267-Q271 PolarHBondContact O-N 3.15Å; I268-Q271 PolarHBondContact O-N 2.93Å; Q271-S273 VanDerWaalsContact C-N 3.3Å; Q271-S273 PolarHBondContact O-N 2.82Å; Q271-L274 PolarHBondContact O-N 3.46Å; Q271-E275 PolarHBondContact NE2-OE1 3.47Å; Q271-E275 WeakPolarHBondContact O-CG 3.39Å; Q271-E275 PolarHBondContact O-N 3.34Å
272Q90.6Very high91.4Very high22 Ų2270.7 Ų70.710%0.10336%0.363CS..Hα-helixtrans-60.7-38.2177.4-72.5171.2-2200112.2D217 I268 V269 T270 R276D217-Q272 PolarHBondContact OD1-NE2 3.01Å; D217-Q272 PolarHBondContact OD2-NE2 3.25Å; I268-Q272 WeakPolarHBondContact O-CG 3.29Å; I268-Q272 PolarHBondContact O-N 2.91Å; V269-Q272 PolarHBondContact O-N 2.86Å; T270-Q272 PolarHBondContact O-N 2.8Å; Q272-R276 WeakPolarHBondContact O-CB 3.49Å; Q272-R276 VanDerWaalsContact O-CG 3.32Å; Q272-R276 WeakPolarHBondContact O-CG 3.36Å; Q272-R276 PolarHBondContact O-N 2.69Å; Q272-R276 PolarHBondContact O-NE 2.81Å
273S91.9Very high91.4Very high57 Ų5771.1 Ų71.140%0.39936%0.361SS..Hα-helixtrans-65.9-46.3176-171.40000111.6V269 T270 Q271 E275 R276 Q277V269-S273 WeakPolarHBondContact O-CB 3.5Å; V269-S273 PolarHBondContact O-N 2.81Å; T270-S273 PolarHBondContact O-N 3.42Å; Q271-S273 VanDerWaalsContact C-N 3.3Å; Q271-S273 PolarHBondContact O-N 2.82Å; S273-E275 VanDerWaalsContact C-N 3.35Å; S273-E275 PolarHBondContact O-N 3.21Å; S273-R276 PolarHBondContact O-N 2.81Å; S273-Q277 WeakPolarHBondContact O-CB 3.31Å; S273-Q277 PolarHBondContact O-N 2.95Å
274L91.9Very high91.5Very high83 Ų8375.6 Ų75.644%0.43538%0.375SS..Hα-helixtrans-62.8-40.2177.8-72172.3000112.1T270 Q271 R278T270-L274 HydrophobicContact CG2-CD1 4.03Å; T270-L274 HydrophobicContact CG2-CG 4.41Å; T270-L274 WeakPolarHBondContact O-CG 3.45Å; T270-L274 PolarHBondContact O-N 2.9Å; Q271-L274 PolarHBondContact O-N 3.46Å; L274-R278 VanDerWaalsContact O-CB 3.26Å; L274-R278 WeakPolarHBondContact O-CB 3.42Å; L274-R278 PolarHBondContact O-N 3.5Å
275E89.9Confident91.7Very high19 Ų1975.6 Ų75.69%0.08938%0.375CS..Hα-helixtrans-63.8-48.6174.9-74.5172.4-176.700111.7R219 Q271 S273 Q277 R278 T279R219-E275 IonicContact CZ-OE2 2.77Å; R219-E275 VanDerWaalsContact CZ-OE2 3.24Å; R219-E275 VanDerWaalsContact NH1-CD 3.26Å; R219-E275 IonicContact NH1-OE1 3.24Å; R219-E275 PolarHBondContact NH1-OE1 2.65Å; R219-E275 IonicContact NH1-OE2 2.77Å; R219-E275 PolarHBondContact NH1-OE2 3.48Å; R219-E275 IonicContact NH2-OE2 3.95Å; R219-E275 PolarHBondContact NH2-OE2 2.89Å; Q271-E275 PolarHBondContact NE2-OE1 3.47Å; Q271-E275 WeakPolarHBondContact O-CG 3.39Å; Q271-E275 PolarHBondContact O-N 3.34Å; S273-E275 VanDerWaalsContact C-N 3.35Å; S273-E275 PolarHBondContact O-N 3.21Å; E275-Q277 VanDerWaalsContact C-N 3.35Å; E275-Q277 PolarHBondContact O-N 2.89Å; E275-R278 PolarHBondContact O-N 3.08Å; E275-T279 PolarHBondContact O-N 3.37Å; E275-T279 PolarHBondContact O-OG1 2.83Å
276R88.7Confident91.9Very high151 Ų15172.7 Ų72.757%0.5736%0.357SS*.Hα-helixtrans-59.2-44.5176.5-77.2-175.6-70.1174.3-3.1112Q272 S273 T279 A280Q272-R276 WeakPolarHBondContact O-CB 3.49Å; Q272-R276 VanDerWaalsContact O-CG 3.32Å; Q272-R276 WeakPolarHBondContact O-CG 3.36Å; Q272-R276 PolarHBondContact O-N 2.69Å; Q272-R276 PolarHBondContact O-NE 2.81Å; S273-R276 PolarHBondContact O-N 2.81Å; R276-T279 PolarHBondContact O-N 2.88Å; R276-A280 WeakPolarHBondContact O-CB 3.29Å; R276-A280 PolarHBondContact O-N 3.13Å
277Q91.1Very high92Very high132 Ų13270.8 Ų70.862%0.61735%0.346SS*.Hα-helixtrans-63.9-42.1177.4-172.5178.93.200111.6S273 E275 A280 E281S273-Q277 WeakPolarHBondContact O-CB 3.31Å; S273-Q277 PolarHBondContact O-N 2.95Å; E275-Q277 VanDerWaalsContact C-N 3.35Å; E275-Q277 PolarHBondContact O-N 2.89Å; Q277-A280 PolarHBondContact O-N 3.32Å; Q277-E281 WeakPolarHBondContact O-CB 3.28Å; Q277-E281 PolarHBondContact O-N 2.79Å
278R90.1Very high92.2Very high150 Ų15070.1 Ų70.157%0.56635%0.346SS*.Hα-helixtrans-63.3-42.5176.5-172.5-172.9-58174.92.4111.8L274 E275 K282L274-R278 VanDerWaalsContact O-CB 3.26Å; L274-R278 WeakPolarHBondContact O-CB 3.42Å; L274-R278 PolarHBondContact O-N 3.5Å; E275-R278 PolarHBondContact O-N 3.08Å; R278-K282 VanDerWaalsContact O-CG 3.31Å; R278-K282 WeakPolarHBondContact O-CG 3.23Å; R278-K282 PolarHBondContact O-N 3.21Å; R278-K282 VanDerWaalsContact O-N 3.08Å
279T88.7Confident92.5Very high20 Ų2073.1 Ų73.112%0.12336%0.358CS..Hα-helixtrans-63.7-49.4175.6-68.90000111.1E275 R276 E281 K282 E283 T508E275-T279 PolarHBondContact O-N 3.37Å; E275-T279 PolarHBondContact O-OG1 2.83Å; R276-T279 PolarHBondContact O-N 2.88Å; T279-E281 VanDerWaalsContact C-N 3.3Å; T279-E281 PolarHBondContact O-N 2.69Å; T279-K282 PolarHBondContact O-N 3.22Å; T279-E283 HydrophobicContact CG2-CG 4.45Å; T279-E283 WeakPolarHBondContact O-CG 3.32Å; T279-E283 PolarHBondContact O-N 3.43Å; T279-T508 HydrophobicContact CG2-CG2 3.77Å
280A89.8Confident92.7Very high53 Ų5370.2 Ų70.244%0.43834%0.34SS..Hα-helixtrans-59.8-39.5178.600000112.3R276 Q277 E283 R284R276-A280 WeakPolarHBondContact O-CB 3.29Å; R276-A280 PolarHBondContact O-N 3.13Å; Q277-A280 PolarHBondContact O-N 3.32Å; A280-E283 PolarHBondContact O-N 2.81Å; A280-R284 VanDerWaalsContact O-CB 3.28Å; A280-R284 WeakPolarHBondContact O-CB 3.43Å; A280-R284 PolarHBondContact O-N 2.86Å
281E92.4Very high92.9Very high78 Ų7872.6 Ų72.636%0.36434%0.344SS..Hα-helixtrans-67.2-42.8177.2-179.957.2-166.500112.2Q277 T279 E283 R284 L285Q277-E281 WeakPolarHBondContact O-CB 3.28Å; Q277-E281 PolarHBondContact O-N 2.79Å; T279-E281 VanDerWaalsContact C-N 3.3Å; T279-E281 PolarHBondContact O-N 2.69Å; E281-E283 PolarHBondContact O-N 3.23Å; E281-R284 PolarHBondContact O-N 2.8Å; E281-R284 IonicContact OE1-CZ 3.9Å; E281-R284 IonicContact OE1-NE 3.03Å; E281-R284 IonicContact OE1-NH2 3.25Å; E281-R284 PolarHBondContact OE1-NH2 2.7Å; E281-R284 IonicContact OE2-CZ 3.22Å; E281-R284 IonicContact OE2-NE 2.8Å; E281-R284 PolarHBondContact OE2-NE 3.33Å; E281-R284 IonicContact OE2-NH2 2.67Å; E281-R284 PolarHBondContact OE2-NH2 3.07Å; E281-L285 HydrophobicContact CG-CD1 4.15Å; E281-L285 HydrophobicContact CG-CG 4.5Å; E281-L285 WeakPolarHBondContact O-CB 3.28Å; E281-L285 VanDerWaalsContact O-CG 3.29Å; E281-L285 WeakPolarHBondContact O-CG 3.29Å; E281-L285 PolarHBondContact O-N 3.33Å
282K90.9Very high93.1Very high68 Ų6874.6 Ų74.630%0.29635%0.353SS..Hα-helixtrans-60-46173.9-73.9169.8169.9-168.70111.8R278 T279 R284 L285 F286 V502R278-K282 VanDerWaalsContact O-CG 3.31Å; R278-K282 WeakPolarHBondContact O-CG 3.23Å; R278-K282 PolarHBondContact O-N 3.21Å; R278-K282 VanDerWaalsContact O-N 3.08Å; T279-K282 PolarHBondContact O-N 3.22Å; K282-R284 VanDerWaalsContact C-N 3.35Å; K282-L285 PolarHBondContact O-N 2.69Å; K282-F286 WeakPolarHBondContact O-CB 3.44Å; K282-F286 PolarHBondContact O-N 2.86Å; K282-V502 HydrophobicContact CB-CG1 4.3Å
283E91.3Very high93.5Very high78 Ų7873.7 Ų73.736%0.36435%0.349SS..Hα-helixtrans-62.2-42.3177.4-72.1173.9174.100111.5T279 A280 E281 F286 L287T279-E283 HydrophobicContact CG2-CG 4.45Å; T279-E283 WeakPolarHBondContact O-CG 3.32Å; T279-E283 PolarHBondContact O-N 3.43Å; A280-E283 PolarHBondContact O-N 2.81Å; E281-E283 PolarHBondContact O-N 3.23Å; E283-F286 PolarHBondContact O-N 2.84Å; E283-L287 WeakPolarHBondContact O-CB 3.05Å; E283-L287 PolarHBondContact O-N 2.93Å
284R93.9Very high93.8Very high125 Ų12574.5 Ų74.547%0.47234%0.343SS..Hα-helixtrans-62.4-48.1176.1-170.6-166.67175.90.7111.7A280 E281 K282 F286 L287 V288A280-R284 VanDerWaalsContact O-CB 3.28Å; A280-R284 WeakPolarHBondContact O-CB 3.43Å; A280-R284 PolarHBondContact O-N 2.86Å; E281-R284 PolarHBondContact O-N 2.8Å; E281-R284 IonicContact OE1-CZ 3.9Å; E281-R284 IonicContact OE1-NE 3.03Å; E281-R284 IonicContact OE1-NH2 3.25Å; E281-R284 PolarHBondContact OE1-NH2 2.7Å; E281-R284 IonicContact OE2-CZ 3.22Å; E281-R284 IonicContact OE2-NE 2.8Å; E281-R284 PolarHBondContact OE2-NE 3.33Å; E281-R284 IonicContact OE2-NH2 2.67Å; E281-R284 PolarHBondContact OE2-NH2 3.07Å; K282-R284 VanDerWaalsContact C-N 3.35Å; R284-F286 VanDerWaalsContact C-N 3.35Å; R284-L287 PolarHBondContact O-N 3.11Å; R284-V288 WeakPolarHBondContact O-CG2 3.43Å; R284-V288 PolarHBondContact O-N 3.04Å
285L95.4Very high94Very high89 Ų8977.5 Ų77.547%0.46635%0.349SS..Hα-helixtrans-61.8-43.8177.8-72.5172.6000111.2E281 K282 L287 V288 Y289E281-L285 HydrophobicContact CG-CD1 4.15Å; E281-L285 HydrophobicContact CG-CG 4.5Å; E281-L285 WeakPolarHBondContact O-CB 3.28Å; E281-L285 VanDerWaalsContact O-CG 3.29Å; E281-L285 WeakPolarHBondContact O-CG 3.29Å; E281-L285 PolarHBondContact O-N 3.33Å; K282-L285 PolarHBondContact O-N 2.69Å; L285-L287 VanDerWaalsContact C-N 3.34Å; L285-L287 PolarHBondContact O-N 3Å; L285-V288 PolarHBondContact O-N 3.33Å; L285-Y289 WeakPolarHBondContact O-CB 3.5Å; L285-Y289 PolarHBondContact O-N 3.27Å
286F95.2Very high94.4Very high6 Ų680 Ų803%0.02636%0.361CS..Hα-helixtrans-63.1-39.4175.9-176.9-100.2000112K282 E283 R284 V288 Y289 A290 F312 P322 M494 A498 L499 V502K282-F286 WeakPolarHBondContact O-CB 3.44Å; K282-F286 PolarHBondContact O-N 2.86Å; E283-F286 PolarHBondContact O-N 2.84Å; R284-F286 VanDerWaalsContact C-N 3.35Å; F286-V288 PolarHBondContact O-N 3.4Å; F286-Y289 HydrophobicContact CD2-CD1 4.23Å; F286-Y289 HydrophobicContact CE2-CD1 4.17Å; F286-Y289 WeakPolarHBondContact O-CB 3.35Å; F286-Y289 PolarHBondContact O-N 3.49Å; F286-A290 HydrophobicContact CE1-CB 4.42Å; F286-A290 VanDerWaalsContact O-CB 3.27Å; F286-A290 WeakPolarHBondContact O-CB 3.5Å; F286-A290 PolarHBondContact O-N 2.73Å; F286-F312 AromaticContact CD1-CE1 3.82Å; F286-F312 HydrophobicContact CD1-CE1 3.82Å; F286-F312 AromaticContact CD1-CZ 3.77Å; F286-F312 HydrophobicContact CD1-CZ 3.77Å; F286-F312 AromaticContact CE1-CE1 3.67Å; F286-F312 HydrophobicContact CE1-CE1 3.67Å; F286-F312 AromaticContact CE1-CZ 3.61Å; F286-F312 HydrophobicContact CE1-CZ 3.61Å; F286-P322 HydrophobicContact CD1-CG 4.04Å; F286-P322 HydrophobicContact CE1-CB 3.96Å; F286-P322 HydrophobicContact CE1-CG 3.67Å; F286-P322 HydrophobicContact CZ-CB 4.34Å; F286-P322 HydrophobicContact CZ-CG 4.4Å; F286-M494 HydrophobicContact CZ-SD 4.29Å; F286-A498 HydrophobicContact CD2-CB 4.22Å; F286-A498 WeakPolarHBondContact CD2-O 3.17Å; F286-A498 HydrophobicContact CE2-CB 4.33Å; F286-L499 HydrophobicContact CE2-CD2 3.89Å; F286-L499 HydrophobicContact CE2-CG 4.47Å; F286-L499 HydrophobicContact CZ-CD2 3.81Å; F286-V502 HydrophobicContact CB-CG1 3.66Å; F286-V502 HydrophobicContact CB-CG2 4.27Å; F286-V502 HydrophobicContact CD1-CG2 3.96Å; F286-V502 HydrophobicContact CD2-CG2 3.72Å; F286-V502 HydrophobicContact CE1-CG2 4.24Å; F286-V502 HydrophobicContact CE2-CG2 4.02Å; F286-V502 HydrophobicContact CG-CG1 4.03Å; F286-V502 HydrophobicContact CG-CG2 3.69Å; F286-V502 HydrophobicContact CZ-CG2 4.27Å
287L95.8Very high94.8Very high70 Ų7072.8 Ų72.837%0.36633%0.333SS..Hα-helixtrans-63.3-41.3176-17963.1000112.1E283 R284 L285 A290 K291 F312E283-L287 WeakPolarHBondContact O-CB 3.05Å; E283-L287 PolarHBondContact O-N 2.93Å; R284-L287 PolarHBondContact O-N 3.11Å; L285-L287 VanDerWaalsContact C-N 3.34Å; L285-L287 PolarHBondContact O-N 3Å; L287-A290 PolarHBondContact O-N 2.77Å; L287-K291 WeakPolarHBondContact O-CB 3.45Å; L287-K291 VanDerWaalsContact O-CG 3.31Å; L287-K291 WeakPolarHBondContact O-CG 3.26Å; L287-K291 PolarHBondContact O-N 3.41Å; L287-F312 HydrophobicContact CD1-CE2 3.94Å; L287-F312 HydrophobicContact CD1-CZ 3.89Å
288V97.4Very high95Very high77 Ų7768.7 Ų68.747%0.46732%0.316SS..Hα-helixtrans-62.9-47.2175173.50000110.4R284 L285 F286 K291 Q292R284-V288 WeakPolarHBondContact O-CG2 3.43Å; R284-V288 PolarHBondContact O-N 3.04Å; L285-V288 PolarHBondContact O-N 3.33Å; F286-V288 PolarHBondContact O-N 3.4Å; V288-K291 PolarHBondContact O-N 3.2Å; V288-Q292 PolarHBondContact O-N 3.18Å
289Y98Very high95.3Very high64 Ų6468.8 Ų68.825%0.25132%0.322SS..Hα-helixtrans-57.1-50.4175.2168.9-101.3000112L285 F286 K291 Q292 W293 M494 S495 A498L285-Y289 WeakPolarHBondContact O-CB 3.5Å; L285-Y289 PolarHBondContact O-N 3.27Å; F286-Y289 HydrophobicContact CD2-CD1 4.23Å; F286-Y289 HydrophobicContact CE2-CD1 4.17Å; F286-Y289 WeakPolarHBondContact O-CB 3.35Å; F286-Y289 PolarHBondContact O-N 3.49Å; Y289-K291 VanDerWaalsContact C-N 3.31Å; Y289-K291 PolarHBondContact O-N 3.07Å; Y289-Q292 WeakPolarHBondContact O-CB 3.47Å; Y289-Q292 PolarHBondContact O-N 3.5Å; Y289-Q292 VanDerWaalsContact O-N 3.09Å; Y289-W293 WeakPolarHBondContact O-CB 3.26Å; Y289-W293 PolarHBondContact O-N 3.18Å; Y289-M494 HydrophobicContact CE1-CB 4.25Å; Y289-M494 HydrophobicContact CE1-CG 4.23Å; Y289-M494 HydrophobicContact CE1-SD 4.37Å; Y289-M494 WeakPolarHBondContact OH-CA 3.5Å; Y289-S495 PolarHBondContact OH-N 3.5Å; Y289-A498 HydrophobicContact CD1-CB 3.76Å; Y289-A498 HydrophobicContact CE1-CB 3.71Å; Y289-A498 HydrophobicContact CG-CB 4.27Å
290A97.6Very high95.6Very high2 Ų271.6 Ų71.62%0.01734%0.336CS..Hα-helixtrans-60.6-39.7-179.500000112.1F286 L287 W293 W294 I311 F312 M494F286-A290 HydrophobicContact CE1-CB 4.42Å; F286-A290 VanDerWaalsContact O-CB 3.27Å; F286-A290 WeakPolarHBondContact O-CB 3.5Å; F286-A290 PolarHBondContact O-N 2.73Å; L287-A290 PolarHBondContact O-N 2.77Å; A290-W293 PolarHBondContact O-N 3.16Å; A290-W294 VanDerWaalsContact O-CB 3.27Å; A290-W294 WeakPolarHBondContact O-CB 3.44Å; A290-W294 PolarHBondContact O-N 3.13Å; A290-I311 HydrophobicContact CB-CG2 4.15Å; A290-F312 HydrophobicContact CB-CE2 3.78Å; A290-F312 HydrophobicContact CB-CZ 3.86Å; A290-M494 HydrophobicContact CB-CE 4.49Å
291K97.5Very high95.8Very high128 Ų12874.3 Ų74.356%0.55734%0.335SS*.Hα-helixtrans-63.7-40.6174.1-76.4176.4178.8-1780112.2L287 V288 Y289 R295L287-K291 WeakPolarHBondContact O-CB 3.45Å; L287-K291 VanDerWaalsContact O-CG 3.31Å; L287-K291 WeakPolarHBondContact O-CG 3.26Å; L287-K291 PolarHBondContact O-N 3.41Å; V288-K291 PolarHBondContact O-N 3.2Å; Y289-K291 VanDerWaalsContact C-N 3.31Å; Y289-K291 PolarHBondContact O-N 3.07Å; K291-R295 WeakPolarHBondContact O-CG 3.49Å; K291-R295 PolarHBondContact O-N 3.03Å; K291-R295 VanDerWaalsContact O-N 3.16Å
292Q98.1Very high95.8Very high94 Ų9478.5 Ų78.544%0.43936%0.355SS..Hα-helixtrans-65.8-50.7175176.8174.5-10.200111.1V288 Y289 W294 R295 E296V288-Q292 PolarHBondContact O-N 3.18Å; Y289-Q292 WeakPolarHBondContact O-CB 3.47Å; Y289-Q292 PolarHBondContact O-N 3.5Å; Y289-Q292 VanDerWaalsContact O-N 3.09Å; Q292-W294 PolarHBondContact O-N 2.88Å; Q292-R295 WeakPolarHBondContact O-CB 3.47Å; Q292-R295 PolarHBondContact O-N 2.79Å; Q292-R295 VanDerWaalsContact O-N 3.08Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.34Å; Q292-E296 PolarHBondContact NE2-OE1 2.66Å; Q292-E296 VanDerWaalsContact NE2-OE1 3.16Å; Q292-E296 WeakPolarHBondContact O-CG 3.42Å; Q292-E296 PolarHBondContact O-N 3.2Å
293W98Very high95.8Very high3 Ų378 Ų781%0.01136%0.36CS..Hα-helixtrans-56.5-39.2178.3-179.296.6000112.3Y289 A290 E296 F297 V309 I311 L468 A470 K492 A493 M494Y289-W293 WeakPolarHBondContact O-CB 3.26Å; Y289-W293 PolarHBondContact O-N 3.18Å; A290-W293 PolarHBondContact O-N 3.16Å; W293-E296 PolarHBondContact O-N 2.84Å; W293-F297 WeakPolarHBondContact O-CB 3.49Å; W293-F297 PolarHBondContact O-N 2.84Å; W293-V309 HydrophobicContact CH2-CG1 4.26Å; W293-V309 HydrophobicContact CZ3-CG1 4.18Å; W293-I311 HydrophobicContact CE3-CD1 4Å; W293-I311 HydrophobicContact CZ3-CD1 3.89Å; W293-I311 HydrophobicContact CZ3-CG1 4.34Å; W293-L468 HydrophobicContact CH2-CD2 3.83Å; W293-L468 HydrophobicContact CZ2-CD2 4.22Å; W293-A470 HydrophobicContact CH2-CB 3.53Å; W293-A470 HydrophobicContact CZ2-CB 4.11Å; W293-K492 HydrophobicContact CZ2-CB 4.41Å; W293-K492 HydrophobicContact CZ2-CD 4.24Å; W293-K492 HydrophobicContact CZ2-CG 4Å; W293-K492 WeakPolarHBondContact CZ2-O 3.27Å; W293-K492 WeakPolarHBondContact O-CE 3.45Å; W293-A493 PolarHBondContact NE1-O 2.87Å; W293-M494 HydrophobicContact CD2-CE 3.59Å; W293-M494 HydrophobicContact CD2-CG 3.83Å; W293-M494 HydrophobicContact CE3-CE 3.35Å; W293-M494 HydrophobicContact CE3-CG 4.46Å; W293-M494 HydrophobicContact CG-CE 4.14Å; W293-M494 HydrophobicContact CG-CG 4.06Å; W293-M494 HydrophobicContact CH2-CE 4.16Å; W293-M494 HydrophobicContact CH2-CG 4.49Å; W293-M494 HydrophobicContact CZ2-CE 4.39Å; W293-M494 HydrophobicContact CZ2-CG 3.9Å; W293-M494 HydrophobicContact CZ3-CE 3.67Å
294W97.6Very high95.9Very high74 Ų7474.3 Ų74.328%0.2834%0.342SS..Hα-helixtrans-65.6-43.3176-178.7-116.1000112.3A290 Q292 E296 F297 L298 V309 I311A290-W294 VanDerWaalsContact O-CB 3.27Å; A290-W294 WeakPolarHBondContact O-CB 3.44Å; A290-W294 PolarHBondContact O-N 3.13Å; Q292-W294 PolarHBondContact O-N 2.88Å; W294-E296 PolarHBondContact O-N 2.59Å; W294-F297 HydrophobicContact CE3-CB 4.45Å; W294-F297 AromaticContact CE3-CD1 3.79Å; W294-F297 HydrophobicContact CE3-CD1 3.79Å; W294-F297 HydrophobicContact CE3-CG 4.46Å; W294-F297 HydrophobicContact CH2-CD1 4.05Å; W294-F297 HydrophobicContact CH2-CE1 4.12Å; W294-F297 AromaticContact CZ3-CD1 3.37Å; W294-F297 HydrophobicContact CZ3-CD1 3.37Å; W294-F297 AromaticContact CZ3-CE1 3.69Å; W294-F297 HydrophobicContact CZ3-CE1 3.69Å; W294-F297 HydrophobicContact CZ3-CG 4.36Å; W294-F297 WeakPolarHBondContact O-CB 3.37Å; W294-F297 PolarHBondContact O-N 2.71Å; W294-L298 HydrophobicContact CD2-CG 4.4Å; W294-L298 HydrophobicContact CH2-CD2 4.2Å; W294-L298 HydrophobicContact CZ2-CD1 4.35Å; W294-L298 HydrophobicContact CZ2-CD2 3.83Å; W294-L298 HydrophobicContact CZ2-CG 4.25Å; W294-L298 WeakPolarHBondContact O-CG 3.2Å; W294-L298 PolarHBondContact O-N 3.24Å; W294-V309 HydrophobicContact CE3-CG1 4.43Å; W294-V309 HydrophobicContact CH2-CB 4.05Å; W294-V309 HydrophobicContact CH2-CG2 4.38Å; W294-V309 HydrophobicContact CZ3-CB 3.55Å; W294-V309 HydrophobicContact CZ3-CG1 3.86Å; W294-V309 HydrophobicContact CZ3-CG2 3.92Å; W294-I311 HydrophobicContact CB-CD1 4.36Å; W294-I311 HydrophobicContact CE3-CD1 4.31Å
295R97.5Very high95.8Very high147 Ų14775 Ų7556%0.55535%0.351SS*.Hα-helixtrans-59.3-47.8174.5-74.6-174.9-65.2144.5-0.7111.4K291 Q292 F297 L298 E299K291-R295 WeakPolarHBondContact O-CG 3.49Å; K291-R295 PolarHBondContact O-N 3.03Å; K291-R295 VanDerWaalsContact O-N 3.16Å; Q292-R295 WeakPolarHBondContact O-CB 3.47Å; Q292-R295 PolarHBondContact O-N 2.79Å; Q292-R295 VanDerWaalsContact O-N 3.08Å; R295-F297 VanDerWaalsContact C-N 3.27Å; R295-F297 PolarHBondContact O-N 2.65Å; R295-L298 PolarHBondContact O-N 3.4Å; R295-L298 VanDerWaalsContact O-N 3.11Å; R295-E299 WeakPolarHBondContact O-CG 3.41Å; R295-E299 PolarHBondContact O-N 2.68Å
296E97.1Very high95.5Very high70 Ų7075.3 Ų75.333%0.32736%0.36SS..Hα-helixtrans-59.6-38.6176-66.9169.7-168.100111.9Q292 W293 W294 E299 I300 K492Q292-E296 WeakPolarHBondContact CG-OE1 3.34Å; Q292-E296 PolarHBondContact NE2-OE1 2.66Å; Q292-E296 VanDerWaalsContact NE2-OE1 3.16Å; Q292-E296 WeakPolarHBondContact O-CG 3.42Å; Q292-E296 PolarHBondContact O-N 3.2Å; W293-E296 PolarHBondContact O-N 2.84Å; W294-E296 PolarHBondContact O-N 2.59Å; E296-E299 PolarHBondContact O-N 2.94Å; E296-I300 WeakPolarHBondContact O-CG1 3.5Å; E296-K492 IonicContact OE2-NZ 2.8Å; E296-K492 PolarHBondContact OE2-NZ 2.85Å
297F96.9Very high95.4Very high0 Ų075.5 Ų75.50%036%0.361CS..Hα-helixtrans-63.2-42.1175.7176-103.4000111.9W293 W294 R295 E299 I300 H304 K307 V309 A470 C472 K492W293-F297 WeakPolarHBondContact O-CB 3.49Å; W293-F297 PolarHBondContact O-N 2.84Å; W294-F297 HydrophobicContact CE3-CB 4.45Å; W294-F297 AromaticContact CE3-CD1 3.79Å; W294-F297 HydrophobicContact CE3-CD1 3.79Å; W294-F297 HydrophobicContact CE3-CG 4.46Å; W294-F297 HydrophobicContact CH2-CD1 4.05Å; W294-F297 HydrophobicContact CH2-CE1 4.12Å; W294-F297 AromaticContact CZ3-CD1 3.37Å; W294-F297 HydrophobicContact CZ3-CD1 3.37Å; W294-F297 AromaticContact CZ3-CE1 3.69Å; W294-F297 HydrophobicContact CZ3-CE1 3.69Å; W294-F297 HydrophobicContact CZ3-CG 4.36Å; W294-F297 WeakPolarHBondContact O-CB 3.37Å; W294-F297 PolarHBondContact O-N 2.71Å; R295-F297 VanDerWaalsContact C-N 3.27Å; R295-F297 PolarHBondContact O-N 2.65Å; F297-E299 VanDerWaalsContact C-N 3.33Å; F297-I300 HydrophobicContact CD2-CD1 4.41Å; F297-I300 WeakPolarHBondContact O-CB 3.35Å; F297-I300 PolarHBondContact O-N 2.9Å; F297-H304 HydrophobicContact CD1-CB 4.09Å; F297-H304 AromaticContact CD2-ND1 3.88Å; F297-H304 HydrophobicContact CE1-CB 3.63Å; F297-H304 AromaticContact CE1-CG 3.88Å; F297-H304 AromaticContact CE1-ND1 3.87Å; F297-H304 AromaticContact CE2-CE1 3.85Å; F297-H304 AromaticContact CE2-ND1 3.62Å; F297-H304 HydrophobicContact CZ-CB 4.06Å; F297-H304 AromaticContact CZ-CG 3.8Å; F297-H304 AromaticContact CZ-ND1 3.62Å; F297-H304 PolarHBondContact O-ND1 3.42Å; F297-K307 HydrophobicContact CZ-CD 4.09Å; F297-V309 HydrophobicContact CE1-CG2 3.8Å; F297-V309 HydrophobicContact CZ-CG2 3.88Å; F297-A470 HydrophobicContact CD2-CB 3.83Å; F297-A470 HydrophobicContact CE2-CB 3.46Å; F297-A470 VanDerWaalsContact CE2-CB 3.46Å; F297-A470 HydrophobicContact CZ-CB 3.92Å; F297-C472 WeakPolarHBondContact CE2-SG 3.27Å; F297-K492 HydrophobicContact CB-CD 4.03Å; F297-K492 HydrophobicContact CD2-CD 4.23Å
298L96.6Very high95.3Very high47 Ų4775 Ų7525%0.24636%0.359CS..Hα-helixtrans-68.7-30.5178-67.4-179.6000113W294 R295 I300 H304 Q305W294-L298 HydrophobicContact CD2-CG 4.4Å; W294-L298 HydrophobicContact CH2-CD2 4.2Å; W294-L298 HydrophobicContact CZ2-CD1 4.35Å; W294-L298 HydrophobicContact CZ2-CD2 3.83Å; W294-L298 HydrophobicContact CZ2-CG 4.25Å; W294-L298 WeakPolarHBondContact O-CG 3.2Å; W294-L298 PolarHBondContact O-N 3.24Å; R295-L298 PolarHBondContact O-N 3.4Å; R295-L298 VanDerWaalsContact O-N 3.11Å; L298-I300 PolarHBondContact O-N 3.04Å; L298-H304 HydrophobicContact CD2-CB 4.12Å; L298-Q305 HydrophobicContact CD2-CG 3.99Å
299E96.4Very high95.3Very high151 Ų15172.5 Ų72.571%0.70634%0.344SS*.Hα-helixtrans-68.5-21.3177.3-74.8169.4-170.100113.2R295 E296 F297R295-E299 WeakPolarHBondContact O-CG 3.41Å; R295-E299 PolarHBondContact O-N 2.68Å; E296-E299 PolarHBondContact O-N 2.94Å; F297-E299 VanDerWaalsContact C-N 3.33Å
300I94.9Very high95.2Very high79 Ų7971.5 Ų71.541%0.40534%0.34SS..Hα-helixtrans-63-48.6179.6-64.9166.6000111.2E296 F297 L298 C472 K492E296-I300 WeakPolarHBondContact O-CG1 3.5Å; F297-I300 HydrophobicContact CD2-CD1 4.41Å; F297-I300 WeakPolarHBondContact O-CB 3.35Å; F297-I300 PolarHBondContact O-N 2.9Å; L298-I300 PolarHBondContact O-N 3.04Å; I300-C472 HydrophobicContact CD1-CB 4.41Å; I300-K492 HydrophobicContact CD1-CD 4.07Å
301R94.4Very high95.1Very high110 Ų11072.3 Ų72.342%0.41534%0.344SS..  trans-154.9141.5-178.5-70.5170.7-166.1-105.7-4.1110.8S303 H304R301-S303 VanDerWaalsContact C-N 3.26Å; R301-S303 PolarHBondContact O-N 2.8Å; R301-H304 VanDerWaalsContact O-CB 3.24Å; R301-H304 WeakPolarHBondContact O-CB 3.36Å; R301-H304 PolarHBondContact O-N 3.09Å
302Q91.9Very high95Very high167 Ų16769.1 Ų69.178%0.7833%0.33SS*.G310 helixtrans-59.1-34.1177.6-168.5178.515.700113.5H304 Q305Q302-H304 PolarHBondContact O-N 3.05Å; Q302-H304 VanDerWaalsContact O-N 3.08Å; Q302-Q305 PolarHBondContact O-N 3.46Å
303S91.4Very high94.8Very high58 Ų5864.7 Ų64.741%0.40631%0.31SS..G310 helixtrans-63.9-11.7177.5600000114R301 Q305 S306R301-S303 VanDerWaalsContact C-N 3.26Å; R301-S303 PolarHBondContact O-N 2.8Å; S303-Q305 PolarHBondContact O-N 3.16Å; S303-S306 PolarHBondContact O-N 2.83Å; S303-S306 PolarHBondContact O-OG 3.46Å
304H92.9Very high94.5Very high0 Ų067.4 Ų67.40%032%0.323CS..G310 helixtrans-69.2-20.4178.7-71.1-169.5000113.3F297 L298 R301 Q302 S306 K307F297-H304 HydrophobicContact CD1-CB 4.09Å; F297-H304 AromaticContact CD2-ND1 3.88Å; F297-H304 HydrophobicContact CE1-CB 3.63Å; F297-H304 AromaticContact CE1-CG 3.88Å; F297-H304 AromaticContact CE1-ND1 3.87Å; F297-H304 AromaticContact CE2-CE1 3.85Å; F297-H304 AromaticContact CE2-ND1 3.62Å; F297-H304 HydrophobicContact CZ-CB 4.06Å; F297-H304 AromaticContact CZ-CG 3.8Å; F297-H304 AromaticContact CZ-ND1 3.62Å; F297-H304 PolarHBondContact O-ND1 3.42Å; L298-H304 HydrophobicContact CD2-CB 4.12Å; R301-H304 VanDerWaalsContact O-CB 3.24Å; R301-H304 WeakPolarHBondContact O-CB 3.36Å; R301-H304 PolarHBondContact O-N 3.09Å; Q302-H304 PolarHBondContact O-N 3.05Å; Q302-H304 VanDerWaalsContact O-N 3.08Å; H304-S306 PolarHBondContact O-N 2.88Å; H304-K307 VanDerWaalsContact CD2-CE 3.45Å; H304-K307 WeakPolarHBondContact CD2-CE 3.39Å; H304-K307 PolarHBondContact CD2-NZ 3.43Å; H304-K307 PolarHBondContact NE2-NZ 2.88Å; H304-K307 PolarHBondContact O-N 3.27Å; H304-K307 VanDerWaalsContact O-N 3.17Å
305Q90.9Very high94.2Very high140 Ų14064 Ų6465%0.65431%0.31SS*.G310 helixtrans-62.5-27.1177.5-64.517812.900113.1L298 Q302 S303L298-Q305 HydrophobicContact CD2-CG 3.99Å; Q302-Q305 PolarHBondContact O-N 3.46Å; S303-Q305 PolarHBondContact O-N 3.16Å
306S90.3Very high93.9Very high94 Ų9457 Ų5766%0.65728%0.283SS*.G310 helixtrans-95.9-4.7178.357.40000114S303 H304S303-S306 PolarHBondContact O-N 2.83Å; S303-S306 PolarHBondContact O-OG 3.46Å; H304-S306 PolarHBondContact O-N 2.88Å
307K93.1Very high93.6Very high11 Ų1155.4 Ų55.45%0.04828%0.277CS..SBendtrans-76.4136.9-179.1-70.5-175.4177.2179.40110.8F297 H304 V309 N471 Q473 D476F297-K307 HydrophobicContact CZ-CD 4.09Å; H304-K307 VanDerWaalsContact CD2-CE 3.45Å; H304-K307 WeakPolarHBondContact CD2-CE 3.39Å; H304-K307 PolarHBondContact CD2-NZ 3.43Å; H304-K307 PolarHBondContact NE2-NZ 2.88Å; H304-K307 PolarHBondContact O-N 3.27Å; H304-K307 VanDerWaalsContact O-N 3.17Å; K307-V309 HydrophobicContact CB-CG2 4.45Å; K307-V309 PolarHBondContact O-N 2.94Å; K307-N471 WeakPolarHBondContact CD-O 2.79Å; K307-N471 PolarHBondContact NZ-O 3.12Å; K307-Q473 PolarHBondContact NZ-O 3.35Å; K307-D476 HydrophobicContact CD-CB 4.38Å; K307-D476 HydrophobicContact CG-CB 4.26Å
308L93.9Very high93.2Very high60 Ų6056.4 Ų56.431%0.31429%0.287SS..  trans-79.489.3178.5-63.5179.9000111.2V402 G403 T404 P410 G460 C461L308-V402 HydrophobicContact CB-CG1 4.31Å; L308-G403 WeakPolarHBondContact CD1-O 3.42Å; L308-T404 HydrophobicContact CD1-CG2 3.54Å; L308-P410 HydrophobicContact CD1-CB 4.13Å; L308-P410 HydrophobicContact CD1-CG 4.18Å; L308-G460 CarbonylContact O-C 3.53Å; L308-G460 VanDerWaalsContact O-CA 3.27Å; L308-G460 WeakPolarHBondContact O-CA 3.24Å; L308-C461 PolarHBondContact O-N 3.29Å
309V96.5Very high92.8Very high24 Ų2457 Ų5715%0.14529%0.293CS..  trans-110.4114.1175-179.80000109.5W293 W294 F297 K307 I311 C461 A470W293-V309 HydrophobicContact CH2-CG1 4.26Å; W293-V309 HydrophobicContact CZ3-CG1 4.18Å; W294-V309 HydrophobicContact CE3-CG1 4.43Å; W294-V309 HydrophobicContact CH2-CB 4.05Å; W294-V309 HydrophobicContact CH2-CG2 4.38Å; W294-V309 HydrophobicContact CZ3-CB 3.55Å; W294-V309 HydrophobicContact CZ3-CG1 3.86Å; W294-V309 HydrophobicContact CZ3-CG2 3.92Å; F297-V309 HydrophobicContact CE1-CG2 3.8Å; F297-V309 HydrophobicContact CZ-CG2 3.88Å; K307-V309 HydrophobicContact CB-CG2 4.45Å; K307-V309 PolarHBondContact O-N 2.94Å; V309-I311 HydrophobicContact CG1-CG1 4.32Å; V309-C461 HydrophobicContact CB-CB 4.43Å; V309-C461 HydrophobicContact CG1-CB 4.07Å; V309-C461 HydrophobicContact CG2-CB 4.36Å; V309-A470 HydrophobicContact CG1-CB 4.03Å; V309-A470 HydrophobicContact CG2-CB 3.92Å
310K95.5Very high92.6Very high43 Ų4355.1 Ų55.119%0.18729%0.287CS..  trans-101.4108.1-177.8-166.778170.9179.80110.1F312 V323 E364 W366 V402 C461K310-F312 WeakPolarHBondContact CE-O 3.48Å; K310-V323 HydrophobicContact CB-CG1 4.24Å; K310-V323 HydrophobicContact CG-CG1 3.48Å; K310-V323 VanDerWaalsContact CG-CG1 3.48Å; K310-V323 WeakPolarHBondContact O-CG2 3.32Å; K310-E364 WeakPolarHBondContact CE-OE1 3.07Å; K310-E364 IonicContact NZ-OE1 2.77Å; K310-E364 PolarHBondContact NZ-OE1 3.26Å; K310-E364 IonicContact NZ-OE2 3.75Å; K310-E364 PolarHBondContact NZ-OE2 3.28Å; K310-W366 HydrophobicContact CG-CZ2 4.31Å; K310-V402 HydrophobicContact CB-CG1 4.29Å; K310-V402 HydrophobicContact CB-CG2 4.17Å; K310-C461 PolarHBondContact N-SG 3.01Å
311I96.8Very high92.3Very high19 Ų1951.7 Ų51.710%0.09727%0.27CS..  trans-95.5-45176.1-56.7171000110.8A290 W293 W294 V309 P322 V323 M494A290-I311 HydrophobicContact CB-CG2 4.15Å; W293-I311 HydrophobicContact CE3-CD1 4Å; W293-I311 HydrophobicContact CZ3-CD1 3.89Å; W293-I311 HydrophobicContact CZ3-CG1 4.34Å; W294-I311 HydrophobicContact CB-CD1 4.36Å; W294-I311 HydrophobicContact CE3-CD1 4.31Å; V309-I311 HydrophobicContact CG1-CG1 4.32Å; I311-P322 CarbonylContact O-C 3.53Å; I311-P322 WeakPolarHBondContact O-CA 3.41Å; I311-V323 PolarHBondContact O-N 3.07Å; I311-M494 HydrophobicContact CB-CE 4.37Å; I311-M494 HydrophobicContact CD1-CE 3.66Å; I311-M494 HydrophobicContact CG1-CE 3.75Å; I311-M494 HydrophobicContact CG2-CE 3.71Å
312F95.3Very high92.3Very high60 Ų6047.2 Ų47.226%0.26326%0.255SS..EExtended strand (participates in β ladder)trans-122.4145.6-178.2-60.9-83.5000110.9F286 L287 A290 K310 R321 P322F286-F312 AromaticContact CD1-CE1 3.82Å; F286-F312 HydrophobicContact CD1-CE1 3.82Å; F286-F312 AromaticContact CD1-CZ 3.77Å; F286-F312 HydrophobicContact CD1-CZ 3.77Å; F286-F312 AromaticContact CE1-CE1 3.67Å; F286-F312 HydrophobicContact CE1-CE1 3.67Å; F286-F312 AromaticContact CE1-CZ 3.61Å; F286-F312 HydrophobicContact CE1-CZ 3.61Å; L287-F312 HydrophobicContact CD1-CE2 3.94Å; L287-F312 HydrophobicContact CD1-CZ 3.89Å; A290-F312 HydrophobicContact CB-CE2 3.78Å; A290-F312 HydrophobicContact CB-CZ 3.86Å; K310-F312 WeakPolarHBondContact CE-O 3.48Å; F312-R321 CarbonylContact C-O 3.6Å; F312-R321 VanDerWaalsContact CA-O 3.24Å; F312-R321 WeakPolarHBondContact CA-O 3.35Å; F312-P322 HydrophobicContact CD1-CG 4.38Å; F312-P322 HydrophobicContact CE1-CG 4.13Å
313A93Very high92.4Very high1 Ų139.2 Ų39.21%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-133.6146.2170.600000110.1R321 V323 Y326 W366A313-R321 PolarHBondContact N-O 3.28Å; A313-R321 PolarHBondContact O-N 2.8Å; A313-V323 HydrophobicContact CB-CG1 4.09Å; A313-Y326 HydrophobicContact CB-CE2 4.13Å; A313-Y326 PolarHBondContact O-OH 3.49Å; A313-W366 HydrophobicContact CB-CB 4.11Å; A313-W366 HydrophobicContact CB-CD2 3.53Å; A313-W366 HydrophobicContact CB-CE3 4.16Å; A313-W366 HydrophobicContact CB-CG 3.49Å; A313-W366 VanDerWaalsContact CB-CG 3.49Å; A313-W366 HydrophobicContact CB-CZ2 4.47Å
314Q91.6Very high92.6Very high61 Ų6136.6 Ų36.629%0.28520%0.199SC..EExtended strand (participates in β ladder)trans-85.3130.5178.9-168.7172.448.200109.8G318 V319 W366Q314-G318 VanDerWaalsContact CG-C 3.42Å; Q314-G318 PolarHBondContact NE2-O 3.16Å; Q314-V319 WeakPolarHBondContact CA-O 3.46Å; Q314-W366 PolarHBondContact O-N 3.5Å
315D91Very high92.5Very high1 Ų136.8 Ų36.81%0.00520%0.2CC..  trans-78.6178176.6770.7000112.8N317 G318 V319 R321 Y326 W366D315-N317 PolarHBondContact O-N 3.36Å; D315-N317 VanDerWaalsContact O-N 3.13Å; D315-N317 VanDerWaalsContact OD1-C 3.31Å; D315-N317 WeakPolarHBondContact OD1-CA 3.26Å; D315-N317 WeakPolarHBondContact OD1-CB 3.46Å; D315-N317 PolarHBondContact OD1-N 3.1Å; D315-G318 PolarHBondContact O-N 2.81Å; D315-G318 PolarHBondContact OD1-N 2.92Å; D315-G318 VanDerWaalsContact OD1-N 3.09Å; D315-V319 PolarHBondContact N-O 3.04Å; D315-V319 WeakPolarHBondContact OD1-CB 3.44Å; D315-V319 PolarHBondContact OD1-N 3.47Å; D315-R321 IonicContact OD2-CZ 2.78Å; D315-R321 IonicContact OD2-NE 3.66Å; D315-R321 PolarHBondContact OD2-NE 2.76Å; D315-R321 IonicContact OD2-NH2 2.79Å; D315-R321 PolarHBondContact OD2-NH2 3.48Å; D315-Y326 WeakPolarHBondContact CA-OH 3.43Å; D315-Y326 WeakPolarHBondContact CB-OH 3.47Å; D315-Y326 PolarHBondContact N-OH 2.83Å; D315-W366 VanDerWaalsContact CA-O 3.24Å; D315-W366 WeakPolarHBondContact CA-O 3.39Å
316E91.2Very high92.6Very high0 Ų031.1 Ų31.10%017%0.173CC..THydrogen-bonded Turntrans-60.8-19.4176.869.1-88.4-161.400114.6L210 S213 V238 G239 T368 A371L210-E316 HydrophobicContact CD2-CB 3.96Å; L210-E316 HydrophobicContact CD2-CG 4.03Å; S213-E316 WeakPolarHBondContact CB-OE1 3.35Å; S213-E316 PolarHBondContact OG-OE1 3.22Å; V238-E316 CarbonylContact C-O 3.52Å; V238-E316 VanDerWaalsContact CA-O 3.28Å; V238-E316 WeakPolarHBondContact CA-O 3.42Å; V238-E316 HydrophobicContact CB-CB 4.37Å; V238-E316 WeakPolarHBondContact CB-O 3.42Å; V238-E316 HydrophobicContact CG1-CB 4.32Å; V238-E316 HydrophobicContact CG1-CG 4.39Å; G239-E316 PolarHBondContact N-O 3.47Å; E316-T368 WeakPolarHBondContact OE1-CB 3.31Å; E316-T368 WeakPolarHBondContact OE1-CG2 3.41Å; E316-T368 PolarHBondContact OE1-OG1 3.02Å; E316-T368 WeakPolarHBondContact OE2-CG2 3.08Å; E316-T368 PolarHBondContact OE2-N 3.27Å; E316-A371 HydrophobicContact CG-CB 4.49Å
317N91.1Very high92.7Very high38 Ų3826.6 Ų26.620%0.20314%0.141CC..THydrogen-bonded Turntrans-96.67.7179-68-25.2000112.4S213 D315 V319S213-N317 PolarHBondContact O-ND2 3.26Å; S213-N317 PolarHBondContact O-OD1 3.47Å; D315-N317 PolarHBondContact O-N 3.36Å; D315-N317 VanDerWaalsContact O-N 3.13Å; D315-N317 VanDerWaalsContact OD1-C 3.31Å; D315-N317 WeakPolarHBondContact OD1-CA 3.26Å; D315-N317 WeakPolarHBondContact OD1-CB 3.46Å; D315-N317 PolarHBondContact OD1-N 3.1Å; N317-V319 VanDerWaalsContact C-N 3.31Å; N317-V319 HydrophobicContact CB-CG2 4.36Å; N317-V319 PolarHBondContact O-N 3.5Å
318G89.6Confident92.6Very high20 Ų2027.3 Ų27.321%0.20614%0.144CC..SBendtrans79.59.2-179.800000114.3Q314 D315Q314-G318 VanDerWaalsContact CG-C 3.42Å; Q314-G318 PolarHBondContact NE2-O 3.16Å; D315-G318 PolarHBondContact O-N 2.81Å; D315-G318 PolarHBondContact OD1-N 2.92Å; D315-G318 VanDerWaalsContact OD1-N 3.09Å
319V88.4Confident92.6Very high59 Ų5927.6 Ų27.636%0.35815%0.148SC..  trans-88.9128.5-178.7-176.40000110.3Q314 D315 N317 R321Q314-V319 WeakPolarHBondContact CA-O 3.46Å; D315-V319 PolarHBondContact N-O 3.04Å; D315-V319 WeakPolarHBondContact OD1-CB 3.44Å; D315-V319 PolarHBondContact OD1-N 3.47Å; N317-V319 VanDerWaalsContact C-N 3.31Å; N317-V319 HydrophobicContact CB-CG2 4.36Å; N317-V319 PolarHBondContact O-N 3.5Å; V319-R321 HydrophobicContact CG1-CG 4.39Å; V319-R321 PolarHBondContact O-N 2.95Å
320N90.3Very high92.4Very high112 Ų11226.9 Ų26.960%0.59914%0.143SC*.EExtended strand (participates in β ladder)trans-77.2121.1175.2-73.8-46.3000111
321R90.1Very high92.2Very high8 Ų833.6 Ų33.63%0.0317%0.167CC..EExtended strand (participates in β ladder)trans-122.6146.8-179.4-59.8-178.2-176.4-853.5111.5F312 A313 D315 V319 V323 Y326 S510F312-R321 CarbonylContact C-O 3.6Å; F312-R321 VanDerWaalsContact CA-O 3.24Å; F312-R321 WeakPolarHBondContact CA-O 3.35Å; A313-R321 PolarHBondContact N-O 3.28Å; A313-R321 PolarHBondContact O-N 2.8Å; D315-R321 IonicContact OD2-CZ 2.78Å; D315-R321 IonicContact OD2-NE 3.66Å; D315-R321 PolarHBondContact OD2-NE 2.76Å; D315-R321 IonicContact OD2-NH2 2.79Å; D315-R321 PolarHBondContact OD2-NH2 3.48Å; V319-R321 HydrophobicContact CG1-CG 4.39Å; V319-R321 PolarHBondContact O-N 2.95Å; R321-V323 PolarHBondContact O-N 3.16Å; R321-Y326 HydrophobicContact CB-CE2 3.91Å; R321-S510 PolarHBondContact NH1-O 2.85Å; R321-S510 PolarHBondContact NH1-OG 3.14Å; R321-S510 PolarHBondContact NH2-O 2.63Å
322P93.6Very high91.9Very high15 Ų1533.1 Ų33.110%0.09717%0.166CC..EExtended strand (participates in β ladder)trans-58.1136.7168.9-19.631.1000110.5F286 I311 F312 C324 S325 V502F286-P322 HydrophobicContact CD1-CG 4.04Å; F286-P322 HydrophobicContact CE1-CB 3.96Å; F286-P322 HydrophobicContact CE1-CG 3.67Å; F286-P322 HydrophobicContact CZ-CB 4.34Å; F286-P322 HydrophobicContact CZ-CG 4.4Å; I311-P322 CarbonylContact O-C 3.53Å; I311-P322 WeakPolarHBondContact O-CA 3.41Å; F312-P322 HydrophobicContact CD1-CG 4.38Å; F312-P322 HydrophobicContact CE1-CG 4.13Å; P322-C324 PolarHBondContact O-N 3.2Å; P322-C324 VanDerWaalsContact O-N 3.17Å; P322-S325 VanDerWaalsContact O-CB 3.31Å; P322-S325 WeakPolarHBondContact O-CB 3.38Å; P322-S325 PolarHBondContact O-N 3.3Å; P322-S325 PolarHBondContact O-OG 2.88Å; P322-V502 HydrophobicContact CG-CB 4.39Å; P322-V502 HydrophobicContact CG-CG2 3.84Å
323V94.8Very high91.4Very high0 Ų033.4 Ų33.40%019%0.186CC..G310 helixtrans-60-30.7-177.5-67.70000113.4K310 I311 A313 R321 S325 Y326 W366 F463 L468K310-V323 HydrophobicContact CB-CG1 4.24Å; K310-V323 HydrophobicContact CG-CG1 3.48Å; K310-V323 VanDerWaalsContact CG-CG1 3.48Å; K310-V323 WeakPolarHBondContact O-CG2 3.32Å; I311-V323 PolarHBondContact O-N 3.07Å; A313-V323 HydrophobicContact CB-CG1 4.09Å; R321-V323 PolarHBondContact O-N 3.16Å; V323-S325 PolarHBondContact O-N 2.86Å; V323-S325 VanDerWaalsContact O-N 3.1Å; V323-Y326 PolarHBondContact O-N 3.32Å; V323-Y326 VanDerWaalsContact O-N 3.13Å; V323-W366 HydrophobicContact CB-CH2 4.23Å; V323-W366 HydrophobicContact CB-CZ3 4.13Å; V323-W366 HydrophobicContact CG1-CH2 3.92Å; V323-W366 HydrophobicContact CG1-CZ2 4.32Å; V323-W366 HydrophobicContact CG1-CZ3 4.09Å; V323-F463 HydrophobicContact CB-CD1 4.46Å; V323-F463 HydrophobicContact CB-CD2 4.16Å; V323-F463 HydrophobicContact CB-CE1 4.13Å; V323-F463 HydrophobicContact CB-CE2 3.8Å; V323-F463 HydrophobicContact CB-CG 4.48Å; V323-F463 HydrophobicContact CB-CZ 3.81Å; V323-F463 HydrophobicContact CG2-CB 4.42Å; V323-F463 HydrophobicContact CG2-CD1 3.85Å; V323-F463 HydrophobicContact CG2-CD2 3.8Å; V323-F463 HydrophobicContact CG2-CE1 4.01Å; V323-F463 HydrophobicContact CG2-CE2 3.96Å; V323-F463 HydrophobicContact CG2-CG 3.75Å; V323-F463 HydrophobicContact CG2-CZ 4.08Å; V323-F463 WeakPolarHBondContact O-CE2 3.39Å; V323-L468 HydrophobicContact CG2-CD1 3.83Å
324C94.3Very high91.3Very high2 Ų244.6 Ų44.61%0.01423%0.228CC..G310 helixtrans-60.4-19.8175.6-650000113.3P322 Y326 V327 N464 L499 C503P322-C324 PolarHBondContact O-N 3.2Å; P322-C324 VanDerWaalsContact O-N 3.17Å; C324-Y326 VanDerWaalsContact C-N 3.31Å; C324-Y326 PolarHBondContact O-N 2.72Å; C324-V327 VanDerWaalsContact O-O 3.13Å; C324-N464 WeakPolarHBondContact CB-O 3.47Å; C324-N464 PolarHBondContact SG-O 3.31Å; C324-L499 HydrophobicContact CB-CD2 4.35Å; C324-C503 HydrophobicContact CB-CB 4.44Å
325S91.4Very high91.4Very high4 Ų444.5 Ų44.53%0.02823%0.23CC..G310 helixtrans-74.4-18.4178.370.40000114.1P322 V323 L511P322-S325 VanDerWaalsContact O-CB 3.31Å; P322-S325 WeakPolarHBondContact O-CB 3.38Å; P322-S325 PolarHBondContact O-N 3.3Å; P322-S325 PolarHBondContact O-OG 2.88Å; V323-S325 PolarHBondContact O-N 2.86Å; V323-S325 VanDerWaalsContact O-N 3.1Å; S325-L511 WeakPolarHBondContact O-CD2 3.46Å
326Y92.3Very high91.6Very high21 Ų2144.6 Ų44.68%0.08223%0.23CC..G310 helixtrans-85.8-9.6177.9-63.7-90.8000113.3A313 D315 R321 V323 C324 W366A313-Y326 HydrophobicContact CB-CE2 4.13Å; A313-Y326 PolarHBondContact O-OH 3.49Å; D315-Y326 WeakPolarHBondContact CA-OH 3.43Å; D315-Y326 WeakPolarHBondContact CB-OH 3.47Å; D315-Y326 PolarHBondContact N-OH 2.83Å; R321-Y326 HydrophobicContact CB-CE2 3.91Å; V323-Y326 PolarHBondContact O-N 3.32Å; V323-Y326 VanDerWaalsContact O-N 3.13Å; C324-Y326 VanDerWaalsContact C-N 3.31Å; C324-Y326 PolarHBondContact O-N 2.72Å; Y326-W366 HydrophobicContact CD1-CB 4.17Å; Y326-W366 HydrophobicContact CD1-CE3 4.29Å; Y326-W366 AromaticContact CD2-CE3 3.69Å; Y326-W366 HydrophobicContact CD2-CE3 3.69Å; Y326-W366 HydrophobicContact CD2-CZ3 4.27Å; Y326-W366 HydrophobicContact CE1-CB 3.63Å; Y326-W366 HydrophobicContact CE2-CB 4.27Å; Y326-W366 HydrophobicContact CE2-CE3 4.09Å; Y326-W366 AromaticContact CG-CE3 3.8Å; Y326-W366 HydrophobicContact CG-CE3 3.8Å; Y326-W366 HydrophobicContact CG-CZ3 4.45Å
327V93.8Very high91.7Very high0 Ų052.5 Ų52.50%027%0.267CS..  trans-111.8135177.7-178.80000108.4C324 T385 C388 L392 V400 F463 N464 H465C324-V327 VanDerWaalsContact O-O 3.13Å; V327-T385 HydrophobicContact CG2-CG2 4.03Å; V327-C388 HydrophobicContact CG1-CB 4.27Å; V327-L392 HydrophobicContact CG1-CD1 3.58Å; V327-V400 HydrophobicContact CG2-CG2 3.79Å; V327-F463 HydrophobicContact CG2-CD2 4.34Å; V327-F463 HydrophobicContact CG2-CE2 3.75Å; V327-N464 HydrophobicContact CG1-CB 4.46Å; V327-H465 HydrophobicContact CB-CB 4.43Å; V327-H465 HydrophobicContact CG1-CB 4.26Å; V327-H465 WeakPolarHBondContact O-CB 3.29Å
328R90.2Very high91.9Very high26 Ų2652.6 Ų52.610%0.09827%0.271CS..  trans-153.5163.1172.2-75.8-163.4-162.6-80.65.4109.2L330 S389 C503 A504 P505 L514R328-L330 PolarHBondContact O-N 2.77Å; R328-L330 VanDerWaalsContact O-N 3.14Å; R328-S389 PolarHBondContact N-OG 3.18Å; R328-S389 WeakPolarHBondContact O-CA 3.17Å; R328-S389 WeakPolarHBondContact O-CB 3.46Å; R328-S389 PolarHBondContact O-OG 3.26Å; R328-S389 VanDerWaalsContact O-OG 3.1Å; R328-C503 PolarHBondContact NH1-O 3.39Å; R328-C503 PolarHBondContact NH2-O 2.96Å; R328-A504 PolarHBondContact NH2-O 3.3Å; R328-P505 VanDerWaalsContact NH1-N 3.14Å; R328-L514 HydrophobicContact CB-CD1 3.19Å; R328-L514 HydrophobicContact CB-CD2 4.28Å; R328-L514 HydrophobicContact CB-CG 3.68Å; R328-L514 HydrophobicContact CG-CD1 4.31Å; R328-L514 HydrophobicContact CG-CG 4.34Å
329V93.1Very high92.2Very high65 Ų6553.2 Ų53.239%0.39427%0.271SS..  trans-66.8114.3176.1-177.20000109.5L392V329-L392 HydrophobicContact CG2-CB 4.29Å
330L93.2Very high92.6Very high9 Ų955.1 Ų55.15%0.04727%0.272CS..  trans-115.5113.4-179.8-179.860.4000110.9R328 L369 L386 S389 L390 G393 L514 L517R328-L330 PolarHBondContact O-N 2.77Å; R328-L330 VanDerWaalsContact O-N 3.14Å; L330-L369 HydrophobicContact CD2-CD2 4Å; L330-L386 HydrophobicContact CD2-CD1 3.68Å; L330-S389 PolarHBondContact N-O 2.75Å; L330-L390 HydrophobicContact CB-CD2 4.37Å; L330-L390 HydrophobicContact CD2-CD2 3.71Å; L330-L390 HydrophobicContact CD2-CG 4.09Å; L330-L390 HydrophobicContact CG-CD2 3.88Å; L330-G393 WeakPolarHBondContact O-CA 3.46Å; L330-L514 HydrophobicContact CB-CD1 3.91Å; L330-L514 HydrophobicContact CD1-CB 4.45Å; L330-L514 HydrophobicContact CD1-CD1 4.26Å; L330-L517 HydrophobicContact CD2-CG 4.49Å
331R92.1Very high92.9Very high184 Ų18451.8 Ų51.869%0.69425%0.253SS*.  trans-95.9119.9175.1-65.6179.5177.9172.20.4109.8G333R331-G333 PolarHBondContact O-N 3.45Å
332A88.8Confident93.2Very high10 Ų1051.4 Ų51.48%0.08325%0.251CS..  trans-79.98-179.700000114.5R334 L335 L336 L390 L517A332-R334 PolarHBondContact O-N 3.44Å; A332-L335 VanDerWaalsContact O-CB 3.23Å; A332-L335 WeakPolarHBondContact O-CB 3.46Å; A332-L335 WeakPolarHBondContact O-CG 3.06Å; A332-L335 PolarHBondContact O-N 2.93Å; A332-L336 HydrophobicContact CB-CB 3.82Å; A332-L336 HydrophobicContact CB-CD1 3.73Å; A332-L336 HydrophobicContact CB-CG 3.92Å; A332-L390 HydrophobicContact CB-CD2 4.12Å; A332-L517 HydrophobicContact CB-CD1 3.88Å
333G86.4Confident93.4Very high66 Ų6650.8 Ų50.868%0.6825%0.247SC*.THydrogen-bonded Turntrans57.4-130.4-175.400000111.8R331 L335R331-G333 PolarHBondContact O-N 3.45Å; G333-L335 VanDerWaalsContact C-N 3.34Å
334R90.4Very high93.5Very high235 Ų23551.2 Ų51.289%0.88725%0.249SC*.THydrogen-bonded Turntrans-92.210.5175.2-64.3-177.7-179.1-100.81.5113.4A332A332-R334 PolarHBondContact O-N 3.44Å
335L94.4Very high93.7Very high60 Ų6051.1 Ų51.131%0.31425%0.248SC..SBendtrans-84.1-24.9-176.7-56.8177.9000113.2A332 G333 L517 A519 P644A332-L335 VanDerWaalsContact O-CB 3.23Å; A332-L335 WeakPolarHBondContact O-CB 3.46Å; A332-L335 WeakPolarHBondContact O-CG 3.06Å; A332-L335 PolarHBondContact O-N 2.93Å; G333-L335 VanDerWaalsContact C-N 3.34Å; L335-L517 HydrophobicContact CD1-CB 3.83Å; L335-L517 WeakPolarHBondContact CD1-O 3.49Å; L335-A519 HydrophobicContact CD2-CB 3.86Å; L335-P644 HydrophobicContact CB-CG 3.83Å; L335-P644 HydrophobicContact CD1-CG 4.37Å
336L95.1Very high94Very high3 Ų350.9 Ų50.92%0.01625%0.247CC..  trans-135.5125.4176-60.4169.8000108.2A332 Q341 A342 F345 L390 F394 L517 Y643 P644A332-L336 HydrophobicContact CB-CB 3.82Å; A332-L336 HydrophobicContact CB-CD1 3.73Å; A332-L336 HydrophobicContact CB-CG 3.92Å; L336-Q341 HydrophobicContact CD2-CG 4.15Å; L336-A342 HydrophobicContact CD1-CB 4.05Å; L336-F345 HydrophobicContact CD1-CB 4.42Å; L336-F345 HydrophobicContact CD1-CD1 3.76Å; L336-F345 HydrophobicContact CD1-CE1 4.43Å; L336-F345 HydrophobicContact CD1-CG 4.31Å; L336-F345 HydrophobicContact CD2-CB 3.83Å; L336-F345 HydrophobicContact CD2-CG 4.25Å; L336-L390 HydrophobicContact CD1-CD1 4.22Å; L336-L390 HydrophobicContact CD1-CD2 4.14Å; L336-F394 HydrophobicContact CB-CZ 4.29Å; L336-L517 HydrophobicContact CD1-CD1 4.04Å; L336-Y643 HydrophobicContact CD2-CD1 4.23Å; L336-P644 HydrophobicContact CD2-CG 4.13Å; L336-P644 HydrophobicContact CG-CG 4.14Å
337E92.3Very high94.3Very high166 Ų16650.2 Ų50.278%0.77625%0.245SC*.  trans-92.9-21.7-171.2-59.2-176.916700112.9
338S95.3Very high94.4Very high40 Ų4050.5 Ų50.528%0.2825%0.246SC..SBendtrans-147.6158.4-177.6740000114.1R340 Q341 A342S338-R340 PolarHBondContact O-N 3.22Å; S338-Q341 PolarHBondContact O-N 3.21Å; S338-Q341 WeakPolarHBondContact OG-CB 2.99Å; S338-Q341 PolarHBondContact OG-N 3.07Å; S338-Q341 VanDerWaalsContact OG-N 3.14Å; S338-A342 PolarHBondContact O-N 3.34Å
339P96.6Very high94.7Very high33 Ų3349.7 Ų49.721%0.21424%0.244CC..Hα-helixtrans-55.3-34.6173-28.935.8000114.3A342 A343 L391 F394 L396 W426P339-A342 WeakPolarHBondContact O-CB 3.15Å; P339-A342 PolarHBondContact O-N 3.13Å; P339-A343 PolarHBondContact O-N 3.1Å; P339-L391 HydrophobicContact CB-CD2 3.67Å; P339-F394 HydrophobicContact CB-CD2 4.47Å; P339-F394 HydrophobicContact CG-CB 3.91Å; P339-F394 HydrophobicContact CG-CD1 4.26Å; P339-F394 HydrophobicContact CG-CD2 4.12Å; P339-F394 HydrophobicContact CG-CG 3.84Å; P339-L396 HydrophobicContact CB-CD1 3.9Å; P339-L396 HydrophobicContact CG-CD1 3.96Å; P339-W426 HydrophobicContact CB-CH2 4.17Å
340R96.3Very high94.8Very high99 Ų9948.5 Ų48.537%0.37424%0.241SC..Hα-helixtrans-75.3-38.4179-61.6-177.3-170.8-126.19111.9S338 A342 A343 R344 W426 C572 T573S338-R340 PolarHBondContact O-N 3.22Å; R340-A342 VanDerWaalsContact C-N 3.27Å; R340-A342 PolarHBondContact O-N 2.64Å; R340-A343 WeakPolarHBondContact O-CB 3.26Å; R340-A343 PolarHBondContact O-N 3.17Å; R340-R344 PolarHBondContact O-N 3.05Å; R340-W426 HydrophobicContact CG-CH2 4.24Å; R340-W426 HydrophobicContact CG-CZ3 4.25Å; R340-C572 WeakPolarHBondContact CB-O 3.5Å; R340-T573 WeakPolarHBondContact CD-O 3.36Å; R340-T573 PolarHBondContact NH1-O 2.77Å
341Q96.2Very high94.8Very high42 Ų4251.9 Ų51.920%0.19626%0.256CS..Hα-helixtrans-64-35.6171.4-167.8-176.427.600111.2L336 S338 R344 F345 Y643L336-Q341 HydrophobicContact CD2-CG 4.15Å; S338-Q341 PolarHBondContact O-N 3.21Å; S338-Q341 WeakPolarHBondContact OG-CB 2.99Å; S338-Q341 PolarHBondContact OG-N 3.07Å; S338-Q341 VanDerWaalsContact OG-N 3.14Å; Q341-R344 WeakPolarHBondContact O-CB 3.28Å; Q341-R344 PolarHBondContact O-N 2.79Å; Q341-F345 WeakPolarHBondContact O-CB 3.16Å; Q341-F345 PolarHBondContact O-N 2.65Å; Q341-Y643 HydrophobicContact CG-CE1 3.84Å
342A97.4Very high94.6Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-63.5-43.717200000112.4L336 S338 P339 R340 R344 F345 V346 L390 F394L336-A342 HydrophobicContact CD1-CB 4.05Å; S338-A342 PolarHBondContact O-N 3.34Å; P339-A342 WeakPolarHBondContact O-CB 3.15Å; P339-A342 PolarHBondContact O-N 3.13Å; R340-A342 VanDerWaalsContact C-N 3.27Å; R340-A342 PolarHBondContact O-N 2.64Å; A342-R344 VanDerWaalsContact C-N 3.32Å; A342-R344 PolarHBondContact O-N 2.96Å; A342-F345 PolarHBondContact O-N 2.93Å; A342-V346 WeakPolarHBondContact O-CG2 3.24Å; A342-V346 PolarHBondContact O-N 2.93Å; A342-L390 HydrophobicContact CB-CB 4.12Å; A342-L390 HydrophobicContact CB-CD1 4.13Å; A342-F394 HydrophobicContact CB-CE2 3.89Å
343A97.8Very high94.2Very high1 Ų151.5 Ų51.51%0.00826%0.255CS..Hα-helixtrans-60.1-41.9172.200000112.1P339 R340 V346 S347 L387 W426 A431P339-A343 PolarHBondContact O-N 3.1Å; R340-A343 WeakPolarHBondContact O-CB 3.26Å; R340-A343 PolarHBondContact O-N 3.17Å; A343-V346 PolarHBondContact O-N 3.43Å; A343-S347 PolarHBondContact O-N 2.95Å; A343-L387 HydrophobicContact CB-CD1 3.98Å; A343-L387 HydrophobicContact CB-CD2 4.46Å; A343-W426 HydrophobicContact CB-CE3 3.82Å; A343-W426 HydrophobicContact CB-CZ3 3.97Å; A343-A431 HydrophobicContact CB-CB 3.99Å; A343-A431 WeakPolarHBondContact O-CB 3.43Å
344R97.1Very high93.3Very high9 Ų950.1 Ų50.13%0.03424%0.238CC..Hα-helixtrans-60.5-50.5174.7-179.853.4171.9162.8-0.1111.2R340 Q341 A342 V346 S347 L348 E568 H602 Y643R340-R344 PolarHBondContact O-N 3.05Å; Q341-R344 WeakPolarHBondContact O-CB 3.28Å; Q341-R344 PolarHBondContact O-N 2.79Å; A342-R344 VanDerWaalsContact C-N 3.32Å; A342-R344 PolarHBondContact O-N 2.96Å; R344-V346 PolarHBondContact O-N 2.86Å; R344-S347 PolarHBondContact O-N 3.12Å; R344-S347 VanDerWaalsContact O-N 3.16Å; R344-S347 PolarHBondContact O-OG 3.32Å; R344-L348 HydrophobicContact CG-CD1 4.48Å; R344-L348 WeakPolarHBondContact O-CG 3.41Å; R344-L348 PolarHBondContact O-N 2.8Å; R344-E568 IonicContact CZ-OE1 3.05Å; R344-E568 IonicContact CZ-OE2 3.38Å; R344-E568 IonicContact NE-OE1 3.89Å; R344-E568 PolarHBondContact NE-OE1 3.47Å; R344-E568 IonicContact NE-OE2 3.74Å; R344-E568 PolarHBondContact NE-OE2 3.18Å; R344-E568 IonicContact NH2-OE1 3.69Å; R344-E568 IonicContact NH2-OE2 3.85Å; R344-E568 PolarHBondContact NH2-OE2 2.88Å; R344-H602 PolarHBondContact NH2-CD2 3.05Å; R344-H602 PolarHBondContact NH2-NE2 2.7Å; R344-Y643 HydrophobicContact CG-CE1 4.35Å; R344-Y643 WeakPolarHBondContact CG-OH 3.46Å
345F97.8Very high91.8Very high0 Ų044 Ų440%023%0.23CC..Hα-helixtrans-52.1-51.6175.4159.6-120.5000112.5L336 Q341 A342 S347 L348 L349 L386 L390 L517 Y643 P644 E645 A647L336-F345 HydrophobicContact CD1-CB 4.42Å; L336-F345 HydrophobicContact CD1-CD1 3.76Å; L336-F345 HydrophobicContact CD1-CE1 4.43Å; L336-F345 HydrophobicContact CD1-CG 4.31Å; L336-F345 HydrophobicContact CD2-CB 3.83Å; L336-F345 HydrophobicContact CD2-CG 4.25Å; Q341-F345 WeakPolarHBondContact O-CB 3.16Å; Q341-F345 PolarHBondContact O-N 2.65Å; A342-F345 PolarHBondContact O-N 2.93Å; F345-S347 VanDerWaalsContact C-N 3.28Å; F345-S347 PolarHBondContact O-N 2.78Å; F345-L348 WeakPolarHBondContact O-CB 3.15Å; F345-L348 PolarHBondContact O-N 3.49Å; F345-L349 HydrophobicContact CE2-CD2 4.45Å; F345-L386 HydrophobicContact CE1-CD2 4.15Å; F345-L390 HydrophobicContact CD1-CD1 3.97Å; F345-L390 HydrophobicContact CE1-CD1 4.14Å; F345-L517 HydrophobicContact CE1-CD1 4Å; F345-L517 HydrophobicContact CE1-CD2 4.28Å; F345-L517 HydrophobicContact CZ-CD1 4.49Å; F345-L517 HydrophobicContact CZ-CD2 4.27Å; F345-Y643 HydrophobicContact CB-CD1 3.82Å; F345-Y643 HydrophobicContact CB-CE1 4.4Å; F345-Y643 HydrophobicContact CB-CG 4.46Å; F345-P644 HydrophobicContact CD2-CB 4.48Å; F345-P644 HydrophobicContact CE2-CB 3.97Å; F345-P644 HydrophobicContact CE2-CG 4.46Å; F345-P644 VanDerWaalsContact CE2-O 3.29Å; F345-P644 WeakPolarHBondContact CE2-O 3.24Å; F345-P644 HydrophobicContact CZ-CB 4.03Å; F345-E645 HydrophobicContact CZ-CG 4.3Å; F345-A647 HydrophobicContact CD2-CB 4.1Å; F345-A647 HydrophobicContact CE2-CB 3.97Å
346V98.1Very high90Very high0 Ų043 Ų430%023%0.227CC..Hα-helixtrans-61.2-40-179.4175.70000111A342 A343 R344 L348 L349 H383 L386 L387 L390A342-V346 WeakPolarHBondContact O-CG2 3.24Å; A342-V346 PolarHBondContact O-N 2.93Å; A343-V346 PolarHBondContact O-N 3.43Å; R344-V346 PolarHBondContact O-N 2.86Å; V346-L348 PolarHBondContact O-N 2.83Å; V346-L348 VanDerWaalsContact O-N 3.12Å; V346-L349 PolarHBondContact O-N 3.09Å; V346-L349 VanDerWaalsContact O-N 3.16Å; V346-H383 HydrophobicContact CG1-CB 3.88Å; V346-H383 WeakPolarHBondContact CG1-O 3.47Å; V346-H383 PolarHBondContact O-CD2 3.47Å; V346-L386 HydrophobicContact CG2-CD2 3.92Å; V346-L386 HydrophobicContact CG2-CG 3.83Å; V346-L387 HydrophobicContact CB-CB 4.49Å; V346-L387 HydrophobicContact CG1-CB 4.26Å; V346-L387 HydrophobicContact CG2-CB 4.19Å; V346-L387 HydrophobicContact CG2-CD1 4.44Å; V346-L390 HydrophobicContact CG2-CD1 3.8Å
347S97.3Very high88.1Confident7 Ų749.1 Ų49.15%0.04926%0.264CS..Hα-helixtrans-65.9-12.1177.276.10000114.7A343 R344 F345 S428A343-S347 PolarHBondContact O-N 2.95Å; R344-S347 PolarHBondContact O-N 3.12Å; R344-S347 VanDerWaalsContact O-N 3.16Å; R344-S347 PolarHBondContact O-OG 3.32Å; F345-S347 VanDerWaalsContact C-N 3.28Å; F345-S347 PolarHBondContact O-N 2.78Å; S347-S428 WeakPolarHBondContact CA-O 3.43Å; S347-S428 PolarHBondContact N-O 3.23Å
348L97.3Very high86.2Confident6 Ų645 Ų453%0.03127%0.267CS..THydrogen-bonded Turntrans-90.5-13.4178-64.3171.1000113.1R344 F345 V346 L604 Y643 A647 A649R344-L348 HydrophobicContact CG-CD1 4.48Å; R344-L348 WeakPolarHBondContact O-CG 3.41Å; R344-L348 PolarHBondContact O-N 2.8Å; F345-L348 WeakPolarHBondContact O-CB 3.15Å; F345-L348 PolarHBondContact O-N 3.49Å; V346-L348 PolarHBondContact O-N 2.83Å; V346-L348 VanDerWaalsContact O-N 3.12Å; L348-L604 HydrophobicContact CB-CD2 4.34Å; L348-L604 HydrophobicContact CD2-CD2 3.44Å; L348-L604 VanDerWaalsContact CD2-CD2 3.44Å; L348-L604 HydrophobicContact CG-CD2 4.47Å; L348-Y643 HydrophobicContact CD1-CD1 4.5Å; L348-Y643 HydrophobicContact CD1-CD2 3.22Å; L348-Y643 HydrophobicContact CD1-CE2 3.28Å; L348-Y643 HydrophobicContact CD1-CG 3.87Å; L348-A647 HydrophobicContact CB-CB 4.37Å; L348-A649 HydrophobicContact CD1-CB 3.98Å; L348-A649 HydrophobicContact CD2-CB 3.8Å
349L96.7Very high83.9Confident8 Ų846.8 Ų46.84%0.04229%0.291CS..SBendtrans-70.3140.5168.3-60.1175.5000108.5F345 V346 F372 H383 L386 A647F345-L349 HydrophobicContact CE2-CD2 4.45Å; V346-L349 PolarHBondContact O-N 3.09Å; V346-L349 VanDerWaalsContact O-N 3.16Å; L349-F372 HydrophobicContact CB-CZ 4.18Å; L349-F372 HydrophobicContact CD1-CE1 3.65Å; L349-F372 HydrophobicContact CD1-CE2 4.39Å; L349-F372 HydrophobicContact CD1-CZ 3.53Å; L349-F372 HydrophobicContact CG-CZ 4.5Å; L349-H383 PolarHBondContact O-NE2 3.35Å; L349-L386 HydrophobicContact CD1-CD2 3.71Å; L349-A647 HydrophobicContact CD2-CB 4.14Å
350A94.2Very high81.5Confident40 Ų4047.2 Ų47.233%0.33130%0.302SS..EExtended strand (participates in β ladder)trans-75.4138.8-173.100000111G376 K377 G378 H383A350-G376 PolarHBondContact N-O 2.99Å; A350-K377 HydrophobicContact CB-CB 3.84Å; A350-K377 CarbonylContact O-C 3.58Å; A350-K377 WeakPolarHBondContact O-CA 3.06Å; A350-K377 WeakPolarHBondContact O-CB 3.31Å; A350-G378 PolarHBondContact O-N 3.46Å; A350-G378 VanDerWaalsContact O-N 3.07Å; A350-H383 PolarHBondContact O-CE1 3.1Å
351H92.9Very high79.3Confident80 Ų8045.8 Ų45.837%0.3732%0.317SS..EExtended strand (participates in β ladder)trans-83.6120.9175.3-179.759.5000110.4G378 D379 L429H351-G378 WeakPolarHBondContact CA-O 3.35Å; H351-G378 PolarHBondContact ND1-O 3.04Å; H351-D379 IonicContact CE1-OD1 3.84Å; H351-D379 PolarHBondContact CE1-OD1 3.42Å; H351-L429 HydrophobicContact CB-CD2 4.16Å
352E88.3Confident77.7Confident62 Ų6252.5 Ų52.529%0.2935%0.346SS..  trans-140.4126.9173.8-173.8175.7124.300109.6R375 K377 G378 D379E352-R375 IonicContact OE1-CZ 2.67Å; E352-R375 IonicContact OE1-NH2 3.18Å; E352-R375 PolarHBondContact OE1-NH2 3.49Å; E352-K377 HydrophobicContact CB-CB 4.47Å; E352-K377 HydrophobicContact CB-CD 4.31Å; E352-K377 WeakPolarHBondContact OE2-CD 3.4Å; E352-K377 WeakPolarHBondContact OE2-CE 3.4Å; E352-K377 IonicContact OE2-NZ 2.82Å; E352-K377 PolarHBondContact OE2-NZ 3.31Å; E352-G378 PolarHBondContact N-O 3.21Å; E352-G378 CarbonylContact O-C 3.52Å; E352-D379 PolarHBondContact O-N 3.32Å
353R79.8Confident76.2Confident125 Ų12554.9 Ų54.947%0.47236%0.357SS..PPolyproline II helixtrans-86.4143.6174.9-64.8-172.5171.1161.8-3.7110.1S355R353-S355 PolarHBondContact O-N 3.15Å; R353-S355 VanDerWaalsContact O-N 3.15Å
354A68.2Low75.3Confident37 Ų3758.5 Ų58.531%0.30637%0.374SS..PPolyproline II helixtrans-59.4119.2173.500000110.3Q363 Q365A354-Q363 WeakPolarHBondContact CB-O 3.48Å; A354-Q365 HydrophobicContact CB-CB 4.43Å
355S58.8Low74.9Confident105 Ų10559.3 Ų59.373%0.73438%0.378SS*.PPolyproline II helixtrans-89.6139.5176610000110.7R353R353-S355 PolarHBondContact O-N 3.15Å; R353-S355 VanDerWaalsContact O-N 3.15Å
356V57.5Low74.6Confident39 Ų3959.3 Ų59.324%0.23638%0.378CS..PPolyproline II helixtrans-99.5129.5172.5-175.10000109.3G358 G361 Q363V356-G358 PolarHBondContact O-N 3.05Å; V356-G361 WeakPolarHBondContact CG2-O 3.46Å; V356-Q363 HydrophobicContact CG2-CB 3.6Å
357V54.7Low74.3Confident132 Ų13259.6 Ų59.680%0.838%0.38SS*.THydrogen-bonded Turntrans-63.5131.5172.9-179.50000109.2
358G52.8Low74Confident81 Ų8159.8 Ų59.884%0.83538%0.38SS*.THydrogen-bonded Turntrans87.316.3176.700000116V356 G360V356-G358 PolarHBondContact O-N 3.05Å; G358-G360 PolarHBondContact O-N 3.35Å
359G45.3Very low73.8Confident77 Ų7760.6 Ų60.679%0.79439%0.385SS*.SBendtrans7116.6172.600000114.7
360G46.7Very low73.6Confident42 Ų4260.3 Ų60.343%0.43338%0.383SS..PPolyproline II helixtrans-60.8159.9171.300000112.6G358G358-G360 PolarHBondContact O-N 3.35Å
361G51.3Low73.6Confident68 Ų6858.4 Ų58.470%0.70137%0.367SS*.PPolyproline II helixtrans-56.3157.7179.700000113.2V356 Q363V356-G361 WeakPolarHBondContact CG2-O 3.46Å; G361-Q363 PolarHBondContact O-N 3.01Å
362K60.8Low73.7Confident184 Ų18454.7 Ų54.780%0.835%0.35SS*.PPolyproline II helixtrans-47.3121.6179.8-60.1176.9-178.51790110.9
363Q66.8Low74Confident49 Ų4952 Ų5223%0.22934%0.338CS..PPolyproline II helixtrans-103.9117170.9-173.2172.6000108.9N240 A354 V356 G361N240-Q363 PolarHBondContact ND2-OE1 3.47Å; N240-Q363 VanDerWaalsContact OD1-CD 3.3Å; N240-Q363 PolarHBondContact OD1-NE2 3.44Å; N240-Q363 PolarHBondContact OD1-OE1 3.21Å; A354-Q363 WeakPolarHBondContact CB-O 3.48Å; V356-Q363 HydrophobicContact CG2-CB 3.6Å; G361-Q363 PolarHBondContact O-N 3.01Å
364E78.9Confident74.7Confident78 Ų7846.5 Ų46.536%0.36432%0.318SS..PPolyproline II helixtrans-84.1117.9177.8-171.3-170.2161.200108.8K310 W366K310-E364 WeakPolarHBondContact CE-OE1 3.07Å; K310-E364 IonicContact NZ-OE1 2.77Å; K310-E364 PolarHBondContact NZ-OE1 3.26Å; K310-E364 IonicContact NZ-OE2 3.75Å; K310-E364 PolarHBondContact NZ-OE2 3.28Å; E364-W366 PolarHBondContact OE1-NE1 2.91Å
365Q88Confident75.9Confident25 Ų2546.4 Ų46.412%0.11731%0.31CS..  trans-126127177.3-178.8-175-57.800108.5A354A354-Q365 HydrophobicContact CB-CB 4.43Å
366W91.7Very high77.6Confident1 Ų142.8 Ų42.80%0.00429%0.289CS..PPolyproline II helixtrans-101.9121.5178.2-71.539.5000108.4K310 A313 Q314 D315 V323 Y326 E364 E381 T385 F463K310-W366 HydrophobicContact CG-CZ2 4.31Å; A313-W366 HydrophobicContact CB-CB 4.11Å; A313-W366 HydrophobicContact CB-CD2 3.53Å; A313-W366 HydrophobicContact CB-CE3 4.16Å; A313-W366 HydrophobicContact CB-CG 3.49Å; A313-W366 VanDerWaalsContact CB-CG 3.49Å; A313-W366 HydrophobicContact CB-CZ2 4.47Å; Q314-W366 PolarHBondContact O-N 3.5Å; D315-W366 VanDerWaalsContact CA-O 3.24Å; D315-W366 WeakPolarHBondContact CA-O 3.39Å; V323-W366 HydrophobicContact CB-CH2 4.23Å; V323-W366 HydrophobicContact CB-CZ3 4.13Å; V323-W366 HydrophobicContact CG1-CH2 3.92Å; V323-W366 HydrophobicContact CG1-CZ2 4.32Å; V323-W366 HydrophobicContact CG1-CZ3 4.09Å; Y326-W366 HydrophobicContact CD1-CB 4.17Å; Y326-W366 HydrophobicContact CD1-CE3 4.29Å; Y326-W366 AromaticContact CD2-CE3 3.69Å; Y326-W366 HydrophobicContact CD2-CE3 3.69Å; Y326-W366 HydrophobicContact CD2-CZ3 4.27Å; Y326-W366 HydrophobicContact CE1-CB 3.63Å; Y326-W366 HydrophobicContact CE2-CB 4.27Å; Y326-W366 HydrophobicContact CE2-CE3 4.09Å; Y326-W366 AromaticContact CG-CE3 3.8Å; Y326-W366 HydrophobicContact CG-CE3 3.8Å; Y326-W366 HydrophobicContact CG-CZ3 4.45Å; E364-W366 PolarHBondContact OE1-NE1 2.91Å; W366-E381 HydrophobicContact CD2-CB 3.94Å; W366-E381 HydrophobicContact CD2-CG 4.33Å; W366-E381 VanDerWaalsContact CE2-CG 3.49Å; W366-E381 HydrophobicContact CE3-CB 4.43Å; W366-E381 HydrophobicContact CG-CB 4.35Å; W366-E381 HydrophobicContact CH2-CB 4.33Å; W366-E381 HydrophobicContact CH2-CG 4.32Å; W366-E381 HydrophobicContact CZ2-CB 3.82Å; W366-E381 HydrophobicContact CZ2-CG 3.48Å; W366-E381 VanDerWaalsContact CZ2-CG 3.48Å; W366-T385 HydrophobicContact CE3-CG2 4.04Å; W366-T385 HydrophobicContact CH2-CG2 4.47Å; W366-T385 HydrophobicContact CZ3-CG2 3.59Å; W366-F463 HydrophobicContact CH2-CE1 4.08Å; W366-F463 AromaticContact CH2-CZ 3.61Å; W366-F463 HydrophobicContact CH2-CZ 3.61Å; W366-F463 HydrophobicContact CZ3-CE2 4.42Å; W366-F463 AromaticContact CZ3-CZ 3.74Å; W366-F463 HydrophobicContact CZ3-CZ 3.74Å
367C91.7Very high79.3Confident5 Ų541.4 Ų41.43%0.03428%0.28CS..PPolyproline II helixtrans-79.9142.7-179.3-62.40000110.3A371 F372 D382C367-A371 HydrophobicContact CB-CB 4.39Å; C367-F372 HydrophobicContact CB-CB 3.99Å; C367-D382 PolarHBondContact N-OD1 2.93Å
368T91.6Very high81.1Confident11 Ų1135.1 Ų35.17%0.06724%0.243CC..PPolyproline II helixtrans-56.5149.2160.263.70000109.7H196 F215 E316 M370 A371 F372H196-T368 PolarHBondContact CE1-OG1 3.31Å; F215-T368 HydrophobicContact CZ-CG2 4.47Å; E316-T368 WeakPolarHBondContact OE1-CB 3.31Å; E316-T368 WeakPolarHBondContact OE1-CG2 3.41Å; E316-T368 PolarHBondContact OE1-OG1 3.02Å; E316-T368 WeakPolarHBondContact OE2-CG2 3.08Å; E316-T368 PolarHBondContact OE2-N 3.27Å; T368-M370 PolarHBondContact O-N 3.26Å; T368-A371 PolarHBondContact O-N 3.45Å; T368-A371 WeakPolarHBondContact OG1-CB 3.24Å; T368-A371 PolarHBondContact OG1-N 3.5Å; T368-F372 PolarHBondContact O-N 3.31Å
369L92.6Very high83Confident23 Ų2332.3 Ų32.312%0.1221%0.208CC..Hα-helixtrans-57.6-39.3-175.5-179.760.9000111.9L330 A371 F372 L373 L386 L514 P515L330-L369 HydrophobicContact CD2-CD2 4Å; L369-A371 PolarHBondContact O-N 2.97Å; L369-F372 HydrophobicContact CD1-CD1 4.18Å; L369-F372 PolarHBondContact O-N 3.36Å; L369-L373 HydrophobicContact CD1-CD1 4Å; L369-L373 HydrophobicContact CD1-CD2 3.92Å; L369-L373 HydrophobicContact CD1-CG 3.69Å; L369-L373 HydrophobicContact CD2-CD1 4.22Å; L369-L373 HydrophobicContact CG-CD1 3.82Å; L369-L373 HydrophobicContact CG-CG 3.97Å; L369-L373 WeakPolarHBondContact O-CB 3.27Å; L369-L373 VanDerWaalsContact O-CG 3.26Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 3.02Å; L369-L386 HydrophobicContact CD1-CB 4.2Å; L369-L386 HydrophobicContact CD1-CD1 3.79Å; L369-L386 HydrophobicContact CD1-CD2 4.38Å; L369-L386 HydrophobicContact CD1-CG 4.33Å; L369-L386 HydrophobicContact CD2-CD1 4.34Å; L369-L514 HydrophobicContact CB-CD2 4.15Å; L369-L514 HydrophobicContact CD2-CD2 3.33Å; L369-L514 HydrophobicContact CG-CD2 4.35Å; L369-P515 HydrophobicContact CB-CG 4.16Å; L369-P515 HydrophobicContact CD2-CG 4.02Å; L369-P515 HydrophobicContact CG-CG 3.9Å
370M92.9Very high85.3Confident2 Ų228.8 Ų28.81%0.0117%0.172CC..Hα-helixtrans-62.4-44.5178.5-176.461.5-179.900111.7H144 R149 H196 V198 T368 C374 P515H144-M370 HydrophobicContact CB-CE 3.65Å; H144-M370 HydrophobicContact CB-CG 3.97Å; H144-M370 HydrophobicContact CB-SD 3.7Å; R149-M370 HydrophobicContact CG-SD 4.41Å; R149-M370 PolarHBondContact NE-SD 3.05Å; H196-M370 WeakPolarHBondContact ND1-CB 3.26Å; V198-M370 HydrophobicContact CG2-CG 3.9Å; T368-M370 PolarHBondContact O-N 3.26Å; M370-C374 WeakPolarHBondContact CE-SG 3.33Å; M370-C374 WeakPolarHBondContact O-CB 3.48Å; M370-C374 PolarHBondContact O-N 2.94Å; M370-C374 PolarHBondContact O-SG 3.42Å; M370-C374 VanDerWaalsContact SD-SG 3.67Å; M370-P515 HydrophobicContact CB-CB 4.41Å; M370-P515 HydrophobicContact CB-CG 3.93Å; M370-P515 HydrophobicContact SD-CB 3.85Å; M370-P515 HydrophobicContact SD-CG 4.27Å
371A93.7Very high87.6Confident0 Ų027.6 Ų27.60%016%0.155CC..Hα-helixtrans-62.6-44.2176.200000111.5L210 E316 C367 T368 L369 R375L210-A371 HydrophobicContact CD2-CB 4Å; E316-A371 HydrophobicContact CG-CB 4.49Å; C367-A371 HydrophobicContact CB-CB 4.39Å; T368-A371 PolarHBondContact O-N 3.45Å; T368-A371 WeakPolarHBondContact OG1-CB 3.24Å; T368-A371 PolarHBondContact OG1-N 3.5Å; L369-A371 PolarHBondContact O-N 2.97Å; A371-R375 WeakPolarHBondContact O-CB 3.49Å; A371-R375 PolarHBondContact O-N 3.43Å
372F95.3Very high89.7Confident2 Ų224.5 Ų24.51%0.00912%0.122CC..Hα-helixtrans-61.8-48.9177.7176.7-133000112.5L349 C367 T368 L369 R375 G376 K377 D382 H383 L386L349-F372 HydrophobicContact CB-CZ 4.18Å; L349-F372 HydrophobicContact CD1-CE1 3.65Å; L349-F372 HydrophobicContact CD1-CE2 4.39Å; L349-F372 HydrophobicContact CD1-CZ 3.53Å; L349-F372 HydrophobicContact CG-CZ 4.5Å; C367-F372 HydrophobicContact CB-CB 3.99Å; T368-F372 PolarHBondContact O-N 3.31Å; L369-F372 HydrophobicContact CD1-CD1 4.18Å; L369-F372 PolarHBondContact O-N 3.36Å; F372-R375 PolarHBondContact O-N 3.34Å; F372-G376 PolarHBondContact O-N 2.61Å; F372-K377 WeakPolarHBondContact CD2-O 3.48Å; F372-D382 HydrophobicContact CD1-CB 3.99Å; F372-D382 HydrophobicContact CD2-CB 3.77Å; F372-D382 HydrophobicContact CE1-CB 4.07Å; F372-D382 HydrophobicContact CE2-CB 3.87Å; F372-D382 HydrophobicContact CG-CB 3.85Å; F372-D382 HydrophobicContact CZ-CB 4.02Å; F372-H383 AromaticContact CE2-CE1 3.73Å; F372-H383 AromaticContact CE2-ND1 3.93Å; F372-H383 AromaticContact CZ-CE1 3.61Å; F372-H383 AromaticContact CZ-CG 3.88Å; F372-H383 AromaticContact CZ-ND1 3.58Å; F372-H383 AromaticContact CZ-NE2 3.92Å; F372-L386 HydrophobicContact CD1-CD2 4.26Å; F372-L386 HydrophobicContact CE1-CB 4.15Å; F372-L386 HydrophobicContact CE1-CD2 3.72Å
373L95.1Very high91.5Very high5 Ų515.8 Ų15.83%0.0268%0.084CC..Hα-helixtrans-64.5-42.3179.5-64.3178.7000111.9L369 G376 L386 P515 L517 E645L369-L373 HydrophobicContact CD1-CD1 4Å; L369-L373 HydrophobicContact CD1-CD2 3.92Å; L369-L373 HydrophobicContact CD1-CG 3.69Å; L369-L373 HydrophobicContact CD2-CD1 4.22Å; L369-L373 HydrophobicContact CG-CD1 3.82Å; L369-L373 HydrophobicContact CG-CG 3.97Å; L369-L373 WeakPolarHBondContact O-CB 3.27Å; L369-L373 VanDerWaalsContact O-CG 3.26Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 3.02Å; L373-G376 PolarHBondContact O-N 2.83Å; L373-L386 HydrophobicContact CD2-CD2 3.87Å; L373-P515 HydrophobicContact CD1-CG 4.14Å; L373-L517 HydrophobicContact CD1-CD2 3.79Å; L373-L517 HydrophobicContact CD2-CD2 4.12Å; L373-E645 HydrophobicContact CB-CG 4.24Å; L373-E645 HydrophobicContact CD2-CG 3.99Å; L373-E645 HydrophobicContact CG-CG 4.45Å
374C94.4Very high93Very high10 Ų1013.4 Ų13.47%0.0687%0.073CC..Hα-helixtrans-70.4-33.5179.6-63.10000112.5Y142 V198 I200 M370Y142-C374 HydrophobicContact CD1-CB 4.33Å; Y142-C374 HydrophobicContact CD2-CB 3.92Å; Y142-C374 HydrophobicContact CE2-CB 4.24Å; Y142-C374 HydrophobicContact CG-CB 3.97Å; Y142-C374 VanDerWaalsContact CG-SG 3.53Å; V198-C374 HydrophobicContact CG1-CB 4.04Å; I200-C374 HydrophobicContact CD1-CB 4.24Å; I200-C374 HydrophobicContact CG1-CB 3.99Å; M370-C374 WeakPolarHBondContact CE-SG 3.33Å; M370-C374 WeakPolarHBondContact O-CB 3.48Å; M370-C374 PolarHBondContact O-N 2.94Å; M370-C374 PolarHBondContact O-SG 3.42Å; M370-C374 VanDerWaalsContact SD-SG 3.67Å
375R94Very high93.9Very high35 Ų3510.1 Ų10.113%0.1326%0.059CC..Hα-helixtrans-72.5-33173.1-168.8-177.8173.9-174.5-0111.2I200 T208 E352 A371 F372 K377I200-R375 HydrophobicContact CD1-CB 4.29Å; T208-R375 WeakPolarHBondContact CB-O 3.44Å; T208-R375 PolarHBondContact OG1-O 2.77Å; E352-R375 IonicContact OE1-CZ 2.67Å; E352-R375 IonicContact OE1-NH2 3.18Å; E352-R375 PolarHBondContact OE1-NH2 3.49Å; A371-R375 WeakPolarHBondContact O-CB 3.49Å; A371-R375 PolarHBondContact O-N 3.43Å; F372-R375 PolarHBondContact O-N 3.34Å; R375-K377 WeakPolarHBondContact CD-O 3.48Å; R375-K377 HydrophobicContact CG-CG 3.83Å; R375-K377 PolarHBondContact O-N 3.03Å
376G93.7Very high94.3Very high29 Ų299 Ų930%0.2995%0.053SC..THydrogen-bonded Turntrans73.49.3-178.800000114.4A350 F372 L373A350-G376 PolarHBondContact N-O 2.99Å; F372-G376 PolarHBondContact O-N 2.61Å; L373-G376 PolarHBondContact O-N 2.83Å
377K93.3Very high94.7Very high10 Ų108.9 Ų8.94%0.0435%0.053CC..EExtended strand (participates in β ladder)trans-157.6153.6179.859.6-176.4178.3169.60112.6E207 T208 A350 E352 F372 R375E207-K377 IonicContact OE2-NZ 2.8Å; E207-K377 PolarHBondContact OE2-NZ 2.81Å; T208-K377 WeakPolarHBondContact O-CE 3.49Å; T208-K377 PolarHBondContact O-NZ 3.37Å; T208-K377 VanDerWaalsContact O-NZ 3.16Å; T208-K377 WeakPolarHBondContact OG1-CE 3.26Å; A350-K377 HydrophobicContact CB-CB 3.84Å; A350-K377 CarbonylContact O-C 3.58Å; A350-K377 WeakPolarHBondContact O-CA 3.06Å; A350-K377 WeakPolarHBondContact O-CB 3.31Å; E352-K377 HydrophobicContact CB-CB 4.47Å; E352-K377 HydrophobicContact CB-CD 4.31Å; E352-K377 WeakPolarHBondContact OE2-CD 3.4Å; E352-K377 WeakPolarHBondContact OE2-CE 3.4Å; E352-K377 IonicContact OE2-NZ 2.82Å; E352-K377 PolarHBondContact OE2-NZ 3.31Å; F372-K377 WeakPolarHBondContact CD2-O 3.48Å; R375-K377 WeakPolarHBondContact CD-O 3.48Å; R375-K377 HydrophobicContact CG-CG 3.83Å; R375-K377 PolarHBondContact O-N 3.03Å
378G92.8Very high95Very high1 Ų18.7 Ų8.71%0.015%0.051CC..EExtended strand (participates in β ladder)trans179.5-175.4-173.900000113.8A350 H351 E352 D382 H383A350-G378 PolarHBondContact O-N 3.46Å; A350-G378 VanDerWaalsContact O-N 3.07Å; H351-G378 WeakPolarHBondContact CA-O 3.35Å; H351-G378 PolarHBondContact ND1-O 3.04Å; E352-G378 PolarHBondContact N-O 3.21Å; E352-G378 CarbonylContact O-C 3.52Å; G378-D382 WeakPolarHBondContact CA-OD2 3.23Å; G378-H383 PolarHBondContact O-CE1 2.77Å; G378-H383 VanDerWaalsContact O-CE1 3.23Å
379D92.3Very high95.3Very high22 Ų228.2 Ų8.212%0.1185%0.048CC..  trans-85.4177.1-176.6-147.9-24.7000111.3H351 E352 E381 D382 H383H351-D379 IonicContact CE1-OD1 3.84Å; H351-D379 PolarHBondContact CE1-OD1 3.42Å; E352-D379 PolarHBondContact O-N 3.32Å; D379-E381 WeakPolarHBondContact CB-OE2 3.45Å; D379-E381 VanDerWaalsContact CG-OE2 3.29Å; D379-E381 PolarHBondContact O-N 2.99Å; D379-D382 PolarHBondContact N-OD2 3.21Å; D379-D382 PolarHBondContact O-N 3.4Å; D379-H383 PolarHBondContact O-N 3.35Å; D379-H383 PolarHBondContact O-ND1 3.14Å
380C93.8Very high95.5Very high3 Ų37.1 Ų7.12%0.024%0.043CC..Hα-helixtrans-64.2-28.1-177.469.40000113H383 A384 L429C380-H383 PolarHBondContact O-N 3.01Å; C380-A384 VanDerWaalsContact O-CB 3.27Å; C380-A384 WeakPolarHBondContact O-CB 3.24Å; C380-A384 PolarHBondContact O-N 3.31Å; C380-L429 HydrophobicContact CB-CD1 4.15Å; C380-L429 HydrophobicContact CB-CG 4.43Å
381E95.3Very high95.8Very high16 Ų167 Ų78%0.0754%0.042CC..Hα-helixtrans-64.2-46.7174.4-66.171.6-158.700111.6W366 D379 H383 A384 T385 T412W366-E381 HydrophobicContact CD2-CB 3.94Å; W366-E381 HydrophobicContact CD2-CG 4.33Å; W366-E381 VanDerWaalsContact CE2-CG 3.49Å; W366-E381 HydrophobicContact CE3-CB 4.43Å; W366-E381 HydrophobicContact CG-CB 4.35Å; W366-E381 HydrophobicContact CH2-CB 4.33Å; W366-E381 HydrophobicContact CH2-CG 4.32Å; W366-E381 HydrophobicContact CZ2-CB 3.82Å; W366-E381 HydrophobicContact CZ2-CG 3.48Å; W366-E381 VanDerWaalsContact CZ2-CG 3.48Å; D379-E381 WeakPolarHBondContact CB-OE2 3.45Å; D379-E381 VanDerWaalsContact CG-OE2 3.29Å; D379-E381 PolarHBondContact O-N 2.99Å; E381-H383 VanDerWaalsContact C-N 3.32Å; E381-H383 PolarHBondContact O-N 3.46Å; E381-A384 PolarHBondContact O-N 3.08Å; E381-T385 WeakPolarHBondContact O-CB 3.37Å; E381-T385 VanDerWaalsContact O-CG2 3.27Å; E381-T385 WeakPolarHBondContact O-CG2 3.3Å; E381-T385 PolarHBondContact O-N 2.93Å; E381-T385 PolarHBondContact O-OG1 3.12Å; E381-T412 PolarHBondContact OE1-OG1 2.97Å
382D96Very high96Very high4 Ų48 Ų82%0.0215%0.047CC..Hα-helixtrans-61.8-43.1177.6-58.3-41.4000110.6C367 F372 G378 D379 T385 L386C367-D382 PolarHBondContact N-OD1 2.93Å; F372-D382 HydrophobicContact CD1-CB 3.99Å; F372-D382 HydrophobicContact CD2-CB 3.77Å; F372-D382 HydrophobicContact CE1-CB 4.07Å; F372-D382 HydrophobicContact CE2-CB 3.87Å; F372-D382 HydrophobicContact CG-CB 3.85Å; F372-D382 HydrophobicContact CZ-CB 4.02Å; G378-D382 WeakPolarHBondContact CA-OD2 3.23Å; D379-D382 PolarHBondContact N-OD2 3.21Å; D379-D382 PolarHBondContact O-N 3.4Å; D382-T385 PolarHBondContact O-OG1 3.17Å; D382-L386 WeakPolarHBondContact O-CB 3.25Å; D382-L386 PolarHBondContact O-N 3.39Å; D382-L386 VanDerWaalsContact O-N 3.13Å
383H97.8Very high96Very high0 Ų08.7 Ų8.70%06%0.055CC..Hα-helixtrans-66.4-43.9177.2-69.771.8000111.7V346 L349 A350 F372 G378 D379 C380 E381 L387 L429V346-H383 HydrophobicContact CG1-CB 3.88Å; V346-H383 WeakPolarHBondContact CG1-O 3.47Å; V346-H383 PolarHBondContact O-CD2 3.47Å; L349-H383 PolarHBondContact O-NE2 3.35Å; A350-H383 PolarHBondContact O-CE1 3.1Å; F372-H383 AromaticContact CE2-CE1 3.73Å; F372-H383 AromaticContact CE2-ND1 3.93Å; F372-H383 AromaticContact CZ-CE1 3.61Å; F372-H383 AromaticContact CZ-CG 3.88Å; F372-H383 AromaticContact CZ-ND1 3.58Å; F372-H383 AromaticContact CZ-NE2 3.92Å; G378-H383 PolarHBondContact O-CE1 2.77Å; G378-H383 VanDerWaalsContact O-CE1 3.23Å; D379-H383 PolarHBondContact O-N 3.35Å; D379-H383 PolarHBondContact O-ND1 3.14Å; C380-H383 PolarHBondContact O-N 3.01Å; E381-H383 VanDerWaalsContact C-N 3.32Å; E381-H383 PolarHBondContact O-N 3.46Å; H383-L387 WeakPolarHBondContact O-CB 3.44Å; H383-L387 PolarHBondContact O-N 3.44Å; H383-L429 HydrophobicContact CB-CD2 4Å
384A98.2Very high96.1Very high0 Ų012 Ų120%07%0.07CC..Hα-helixtrans-67.8-39.1-17900000112.3C380 E381 L387 C388 V400 T412 V414C380-A384 VanDerWaalsContact O-CB 3.27Å; C380-A384 WeakPolarHBondContact O-CB 3.24Å; C380-A384 PolarHBondContact O-N 3.31Å; E381-A384 PolarHBondContact O-N 3.08Å; A384-L387 PolarHBondContact O-N 3.29Å; A384-C388 VanDerWaalsContact O-CB 3.22Å; A384-C388 WeakPolarHBondContact O-CB 3.34Å; A384-C388 PolarHBondContact O-N 3.17Å; A384-V400 HydrophobicContact CB-CG1 4.26Å; A384-T412 HydrophobicContact CB-CG2 3.63Å; A384-V414 HydrophobicContact CB-CG2 4Å; A384-V414 WeakPolarHBondContact O-CG2 3.22Å
385T97.2Very high96.2Very high9 Ų914.8 Ų14.86%0.05510%0.1CC..Hα-helixtrans-67.2-41.2177.453.30000112V327 W366 E381 D382 S389 V400V327-T385 HydrophobicContact CG2-CG2 4.03Å; W366-T385 HydrophobicContact CE3-CG2 4.04Å; W366-T385 HydrophobicContact CH2-CG2 4.47Å; W366-T385 HydrophobicContact CZ3-CG2 3.59Å; E381-T385 WeakPolarHBondContact O-CB 3.37Å; E381-T385 VanDerWaalsContact O-CG2 3.27Å; E381-T385 WeakPolarHBondContact O-CG2 3.3Å; E381-T385 PolarHBondContact O-N 2.93Å; E381-T385 PolarHBondContact O-OG1 3.12Å; D382-T385 PolarHBondContact O-OG1 3.17Å; T385-S389 WeakPolarHBondContact O-CB 3.4Å; T385-S389 PolarHBondContact O-N 3.16Å; T385-S389 PolarHBondContact O-OG 3.13Å; T385-V400 HydrophobicContact CG2-CG2 4.37Å
386L97.8Very high96.4Very high0 Ų016 Ų160%011%0.109CC..Hα-helixtrans-62.6-49171.6173.954.8000111.8L330 F345 V346 L349 L369 F372 L373 D382 C388 S389 L390L330-L386 HydrophobicContact CD2-CD1 3.68Å; F345-L386 HydrophobicContact CE1-CD2 4.15Å; V346-L386 HydrophobicContact CG2-CD2 3.92Å; V346-L386 HydrophobicContact CG2-CG 3.83Å; L349-L386 HydrophobicContact CD1-CD2 3.71Å; L369-L386 HydrophobicContact CD1-CB 4.2Å; L369-L386 HydrophobicContact CD1-CD1 3.79Å; L369-L386 HydrophobicContact CD1-CD2 4.38Å; L369-L386 HydrophobicContact CD1-CG 4.33Å; L369-L386 HydrophobicContact CD2-CD1 4.34Å; F372-L386 HydrophobicContact CD1-CD2 4.26Å; F372-L386 HydrophobicContact CE1-CB 4.15Å; F372-L386 HydrophobicContact CE1-CD2 3.72Å; L373-L386 HydrophobicContact CD2-CD2 3.87Å; D382-L386 WeakPolarHBondContact O-CB 3.25Å; D382-L386 PolarHBondContact O-N 3.39Å; D382-L386 VanDerWaalsContact O-N 3.13Å; L386-C388 PolarHBondContact O-N 2.95Å; L386-S389 WeakPolarHBondContact O-CB 3.32Å; L386-S389 PolarHBondContact O-N 2.93Å; L386-L390 HydrophobicContact CD1-CD1 3.89Å; L386-L390 HydrophobicContact CD1-CG 4.07Å; L386-L390 HydrophobicContact CG-CD1 4.08Å; L386-L390 WeakPolarHBondContact O-CG 2.95Å; L386-L390 PolarHBondContact O-N 3.21Å
387L98.6Very high96.6Very high0 Ų017.3 Ų17.30%011%0.109CC..Hα-helixtrans-60.7-47.3179.8178.157000111.3A343 V346 H383 A384 S389 L390 L391 V414 W426A343-L387 HydrophobicContact CB-CD1 3.98Å; A343-L387 HydrophobicContact CB-CD2 4.46Å; V346-L387 HydrophobicContact CB-CB 4.49Å; V346-L387 HydrophobicContact CG1-CB 4.26Å; V346-L387 HydrophobicContact CG2-CB 4.19Å; V346-L387 HydrophobicContact CG2-CD1 4.44Å; H383-L387 WeakPolarHBondContact O-CB 3.44Å; H383-L387 PolarHBondContact O-N 3.44Å; A384-L387 PolarHBondContact O-N 3.29Å; L387-S389 VanDerWaalsContact C-N 3.28Å; L387-S389 PolarHBondContact O-N 3.46Å; L387-L390 PolarHBondContact O-N 2.9Å; L387-L391 HydrophobicContact CD1-CD1 4.16Å; L387-L391 HydrophobicContact CD1-CD2 4.16Å; L387-L391 HydrophobicContact CD1-CG 3.93Å; L387-L391 HydrophobicContact CG-CD1 4.08Å; L387-L391 HydrophobicContact CG-CG 4.27Å; L387-L391 VanDerWaalsContact O-CG 3.31Å; L387-L391 WeakPolarHBondContact O-CG 3.42Å; L387-L391 PolarHBondContact O-N 3.43Å; L387-V414 HydrophobicContact CB-CG2 4.02Å; L387-V414 HydrophobicContact CD2-CB 4.28Å; L387-V414 HydrophobicContact CD2-CG2 4.02Å; L387-V414 HydrophobicContact CG-CB 4.45Å; L387-V414 HydrophobicContact CG-CG2 4.04Å; L387-W426 HydrophobicContact CD2-CB 3.92Å
388C98.6Very high96.8Very high0 Ų016.8 Ų16.80%011%0.107CC..Hα-helixtrans-56.8-44.5176.4-174.10000111.2V327 A384 L386 L390 L391 L392 V400 V414V327-C388 HydrophobicContact CG1-CB 4.27Å; A384-C388 VanDerWaalsContact O-CB 3.22Å; A384-C388 WeakPolarHBondContact O-CB 3.34Å; A384-C388 PolarHBondContact O-N 3.17Å; L386-C388 PolarHBondContact O-N 2.95Å; C388-L390 VanDerWaalsContact C-N 3.34Å; C388-L390 PolarHBondContact O-N 3.18Å; C388-L391 PolarHBondContact O-N 3.36Å; C388-L392 WeakPolarHBondContact O-CB 3.45Å; C388-L392 VanDerWaalsContact O-CG 3.26Å; C388-L392 WeakPolarHBondContact O-CG 3.41Å; C388-L392 PolarHBondContact O-N 3.32Å; C388-V400 HydrophobicContact CB-CG2 3.55Å; C388-V414 HydrophobicContact CB-CG1 3.99Å; C388-V414 HydrophobicContact CB-CG2 4.09Å
389S97.6Very high97.1Very high1 Ų117.7 Ų17.71%0.00711%0.11CC..Hα-helixtrans-59.2-42.3177.1-62.80000112.9R328 L330 T385 L386 L387 G393R328-S389 PolarHBondContact N-OG 3.18Å; R328-S389 WeakPolarHBondContact O-CA 3.17Å; R328-S389 WeakPolarHBondContact O-CB 3.46Å; R328-S389 PolarHBondContact O-OG 3.26Å; R328-S389 VanDerWaalsContact O-OG 3.1Å; L330-S389 PolarHBondContact N-O 2.75Å; T385-S389 WeakPolarHBondContact O-CB 3.4Å; T385-S389 PolarHBondContact O-N 3.16Å; T385-S389 PolarHBondContact O-OG 3.13Å; L386-S389 WeakPolarHBondContact O-CB 3.32Å; L386-S389 PolarHBondContact O-N 2.93Å; L387-S389 VanDerWaalsContact C-N 3.28Å; L387-S389 PolarHBondContact O-N 3.46Å; S389-G393 PolarHBondContact O-N 3.02Å; S389-G393 VanDerWaalsContact O-N 3.07Å
390L98Very high97.4Very high0 Ų016.6 Ų16.60%010%0.104CC..Hα-helixtrans-68.2-44.5176.4-71167.5000112.4L330 A332 L336 A342 F345 V346 L386 L387 C388 L392 G393 F394 L517L330-L390 HydrophobicContact CB-CD2 4.37Å; L330-L390 HydrophobicContact CD2-CD2 3.71Å; L330-L390 HydrophobicContact CD2-CG 4.09Å; L330-L390 HydrophobicContact CG-CD2 3.88Å; A332-L390 HydrophobicContact CB-CD2 4.12Å; L336-L390 HydrophobicContact CD1-CD1 4.22Å; L336-L390 HydrophobicContact CD1-CD2 4.14Å; A342-L390 HydrophobicContact CB-CB 4.12Å; A342-L390 HydrophobicContact CB-CD1 4.13Å; F345-L390 HydrophobicContact CD1-CD1 3.97Å; F345-L390 HydrophobicContact CE1-CD1 4.14Å; V346-L390 HydrophobicContact CG2-CD1 3.8Å; L386-L390 HydrophobicContact CD1-CD1 3.89Å; L386-L390 HydrophobicContact CD1-CG 4.07Å; L386-L390 HydrophobicContact CG-CD1 4.08Å; L386-L390 WeakPolarHBondContact O-CG 2.95Å; L386-L390 PolarHBondContact O-N 3.21Å; L387-L390 PolarHBondContact O-N 2.9Å; C388-L390 VanDerWaalsContact C-N 3.34Å; C388-L390 PolarHBondContact O-N 3.18Å; L390-L392 VanDerWaalsContact C-N 3.33Å; L390-L392 PolarHBondContact O-N 2.9Å; L390-G393 CarbonylContact O-C 3.59Å; L390-G393 VanDerWaalsContact O-CA 3.3Å; L390-G393 WeakPolarHBondContact O-CA 3.31Å; L390-G393 PolarHBondContact O-N 3.25Å; L390-F394 WeakPolarHBondContact O-CD2 3.44Å; L390-F394 PolarHBondContact O-N 2.93Å; L390-L517 HydrophobicContact CD2-CD1 4.11Å
391L98.4Very high97.6Very high0 Ų016.5 Ų16.50%010%0.103CC..Hα-helixtrans-63.2-39.8178.7-64-179.3000111.6P339 L387 C388 G393 F394 G395 L396 A398 V414 T416 W426P339-L391 HydrophobicContact CB-CD2 3.67Å; L387-L391 HydrophobicContact CD1-CD1 4.16Å; L387-L391 HydrophobicContact CD1-CD2 4.16Å; L387-L391 HydrophobicContact CD1-CG 3.93Å; L387-L391 HydrophobicContact CG-CD1 4.08Å; L387-L391 HydrophobicContact CG-CG 4.27Å; L387-L391 VanDerWaalsContact O-CG 3.31Å; L387-L391 WeakPolarHBondContact O-CG 3.42Å; L387-L391 PolarHBondContact O-N 3.43Å; C388-L391 PolarHBondContact O-N 3.36Å; L391-G393 VanDerWaalsContact C-N 3.26Å; L391-G393 PolarHBondContact O-N 3.42Å; L391-F394 PolarHBondContact O-N 3.47Å; L391-F394 VanDerWaalsContact O-N 3.17Å; L391-G395 PolarHBondContact O-N 2.72Å; L391-L396 HydrophobicContact CB-CB 4.4Å; L391-L396 HydrophobicContact CB-CD1 4.22Å; L391-L396 HydrophobicContact CD2-CD1 3.95Å; L391-L396 WeakPolarHBondContact O-CB 3.08Å; L391-L396 PolarHBondContact O-N 3.26Å; L391-A398 HydrophobicContact CB-CB 3.78Å; L391-A398 HydrophobicContact CD1-CB 4.45Å; L391-V414 HydrophobicContact CD1-CG1 3.78Å; L391-T416 HydrophobicContact CD1-CG2 3.74Å; L391-W426 HydrophobicContact CD1-CD2 4.13Å; L391-W426 HydrophobicContact CD1-CG 4.2Å; L391-W426 HydrophobicContact CD2-CH2 4.43Å
392L97.6Very high97.8Very high20 Ų2016.4 Ų16.411%0.10510%0.104CC..Hα-helixtrans-59.7-38.3169.4-71.1167.6000111.6V327 V329 C388 L390 F394 G395 A398 N464 H465V327-L392 HydrophobicContact CG1-CD1 3.58Å; V329-L392 HydrophobicContact CG2-CB 4.29Å; C388-L392 WeakPolarHBondContact O-CB 3.45Å; C388-L392 VanDerWaalsContact O-CG 3.26Å; C388-L392 WeakPolarHBondContact O-CG 3.41Å; C388-L392 PolarHBondContact O-N 3.32Å; L390-L392 VanDerWaalsContact C-N 3.33Å; L390-L392 PolarHBondContact O-N 2.9Å; L392-F394 VanDerWaalsContact C-N 3.28Å; L392-F394 PolarHBondContact O-N 3.42Å; L392-G395 WeakPolarHBondContact O-CA 3.49Å; L392-G395 PolarHBondContact O-N 2.95Å; L392-A398 HydrophobicContact CD2-CB 4.25Å; L392-A398 HydrophobicContact CG-CB 4.15Å; L392-N464 HydrophobicContact CD1-CB 4.49Å; L392-H465 WeakPolarHBondContact CD1-ND1 3.39Å
393G96.2Very high97.8Very high18 Ų1816.2 Ų16.219%0.18610%0.103CC..Hα-helixtrans-59.9-33.5173.900000114.4L330 S389 L390 L391 G395L330-G393 WeakPolarHBondContact O-CA 3.46Å; S389-G393 PolarHBondContact O-N 3.02Å; S389-G393 VanDerWaalsContact O-N 3.07Å; L390-G393 CarbonylContact O-C 3.59Å; L390-G393 VanDerWaalsContact O-CA 3.3Å; L390-G393 WeakPolarHBondContact O-CA 3.31Å; L390-G393 PolarHBondContact O-N 3.25Å; L391-G393 VanDerWaalsContact C-N 3.26Å; L391-G393 PolarHBondContact O-N 3.42Å; G393-G395 PolarHBondContact O-N 3.12Å
394F96.9Very high97.7Very high74 Ų7417.5 Ų17.533%0.32511%0.111SC..THydrogen-bonded Turntrans-81.31.8171.3-73.2-75.3000113.7L336 P339 A342 L390 L391 L392L336-F394 HydrophobicContact CB-CZ 4.29Å; P339-F394 HydrophobicContact CB-CD2 4.47Å; P339-F394 HydrophobicContact CG-CB 3.91Å; P339-F394 HydrophobicContact CG-CD1 4.26Å; P339-F394 HydrophobicContact CG-CD2 4.12Å; P339-F394 HydrophobicContact CG-CG 3.84Å; A342-F394 HydrophobicContact CB-CE2 3.89Å; L390-F394 WeakPolarHBondContact O-CD2 3.44Å; L390-F394 PolarHBondContact O-N 2.93Å; L391-F394 PolarHBondContact O-N 3.47Å; L391-F394 VanDerWaalsContact O-N 3.17Å; L392-F394 VanDerWaalsContact C-N 3.28Å; L392-F394 PolarHBondContact O-N 3.42Å
395G96.6Very high97.4Very high69 Ų6920.2 Ų20.271%0.71112%0.123SC*.THydrogen-bonded Turntrans81.315.9178.400000114.8L391 L392 G393L391-G395 PolarHBondContact O-N 2.72Å; L392-G395 WeakPolarHBondContact O-CA 3.49Å; L392-G395 PolarHBondContact O-N 2.95Å; G393-G395 PolarHBondContact O-N 3.12Å
396L97.8Very high96.8Very high60 Ų6023.8 Ų23.831%0.31414%0.144SC..  trans-80.3145174.6-58.2179.8000111.1P339 L391 A398 T416P339-L396 HydrophobicContact CB-CD1 3.9Å; P339-L396 HydrophobicContact CG-CD1 3.96Å; L391-L396 HydrophobicContact CB-CB 4.4Å; L391-L396 HydrophobicContact CB-CD1 4.22Å; L391-L396 HydrophobicContact CD2-CD1 3.95Å; L391-L396 WeakPolarHBondContact O-CB 3.08Å; L391-L396 PolarHBondContact O-N 3.26Å; L396-A398 VanDerWaalsContact C-N 3.3Å; L396-A398 PolarHBondContact O-N 3.19Å; L396-T416 HydrophobicContact CB-CG2 4.2Å; L396-T416 HydrophobicContact CD1-CG2 4.2Å
397D97.7Very high95.8Very high56 Ų5631.4 Ų31.430%0.29919%0.185SC..EExtended strand (participates in β ladder)trans-75.282.2172.1-172.329.2000109.9Y399 T416 R417D397-Y399 WeakPolarHBondContact OD1-CE2 3.39Å; D397-Y399 PolarHBondContact OD1-OH 3.47Å; D397-T416 CarbonylContact O-C 3.51Å; D397-T416 VanDerWaalsContact O-CA 3.28Å; D397-T416 WeakPolarHBondContact O-CA 3.32Å; D397-R417 HydrophobicContact CB-CB 4.24Å; D397-R417 PolarHBondContact O-N 2.81Å; D397-R417 WeakPolarHBondContact OD2-CB 3.48Å; D397-R417 WeakPolarHBondContact OD2-CD 3.37Å; D397-R417 IonicContact OD2-CZ 2.86Å; D397-R417 IonicContact OD2-NE 2.98Å; D397-R417 IonicContact OD2-NH1 3.63Å; D397-R417 PolarHBondContact OD2-NH1 3.39Å
398A98.5Very high94.7Very high0 Ų033.3 Ų33.30%020%0.199CC..EExtended strand (participates in β ladder)trans-108.5143.7-169.600000113.5L391 L392 L396 V414 L415 T416 N464L391-A398 HydrophobicContact CB-CB 3.78Å; L391-A398 HydrophobicContact CD1-CB 4.45Å; L392-A398 HydrophobicContact CD2-CB 4.25Å; L392-A398 HydrophobicContact CG-CB 4.15Å; L396-A398 VanDerWaalsContact C-N 3.3Å; L396-A398 PolarHBondContact O-N 3.19Å; A398-V414 HydrophobicContact CB-CG1 4.45Å; A398-L415 CarbonylContact C-O 3.52Å; A398-L415 VanDerWaalsContact CA-O 3.28Å; A398-L415 WeakPolarHBondContact CA-O 3.38Å; A398-T416 HydrophobicContact CB-CG2 3.9Å; A398-N464 WeakPolarHBondContact O-CB 3.34Å; A398-N464 PolarHBondContact O-ND2 3.47Å
399Y98.7Very high94.2Very high19 Ų1934.9 Ų34.98%0.07521%0.214CC..EExtended strand (participates in β ladder)trans-140.4142.7-178.2-63.1-99.8000110.7D397 V414 L415 V462 F463 N464 T467 L469 F485D397-Y399 WeakPolarHBondContact OD1-CE2 3.39Å; D397-Y399 PolarHBondContact OD1-OH 3.47Å; Y399-V414 CarbonylContact O-C 3.54Å; Y399-V414 WeakPolarHBondContact O-CA 3.49Å; Y399-V414 WeakPolarHBondContact O-CG1 3.43Å; Y399-L415 HydrophobicContact CD2-CD2 3.89Å; Y399-L415 HydrophobicContact CG-CD2 4.33Å; Y399-L415 PolarHBondContact N-O 2.75Å; Y399-L415 PolarHBondContact O-N 3.27Å; Y399-V462 HydrophobicContact CD1-CG2 4.28Å; Y399-F463 CarbonylContact C-O 3.5Å; Y399-F463 WeakPolarHBondContact CA-O 3.44Å; Y399-N464 HydrophobicContact CD1-CB 4.1Å; Y399-N464 HydrophobicContact CE1-CB 4.48Å; Y399-N464 WeakPolarHBondContact CE1-ND2 3.28Å; Y399-T467 VanDerWaalsContact CE1-OG1 3.28Å; Y399-T467 WeakPolarHBondContact CE1-OG1 3.27Å; Y399-L469 HydrophobicContact CE1-CD1 4.28Å; Y399-F485 HydrophobicContact CD1-CE2 4.19Å; Y399-F485 AromaticContact CD2-CE2 3.84Å; Y399-F485 HydrophobicContact CD2-CE2 3.84Å; Y399-F485 HydrophobicContact CE1-CD2 4.23Å; Y399-F485 AromaticContact CE1-CE2 3.95Å; Y399-F485 HydrophobicContact CE1-CE2 3.95Å; Y399-F485 HydrophobicContact CE2-CD2 4.1Å; Y399-F485 AromaticContact CE2-CE2 3.6Å; Y399-F485 HydrophobicContact CE2-CE2 3.6Å; Y399-F485 HydrophobicContact CG-CE2 4.13Å; Y399-F485 AromaticContact CZ-CD2 3.83Å; Y399-F485 AromaticContact CZ-CE2 3.68Å
400V98.7Very high93.9Very high0 Ų038.6 Ų38.60%024%0.239CC..EExtended strand (participates in β ladder)trans-78.3131.8164.2-179.60000108.4V327 A384 T385 C388 T412 W413 V462 F463V327-V400 HydrophobicContact CG2-CG2 3.79Å; A384-V400 HydrophobicContact CB-CG1 4.26Å; T385-V400 HydrophobicContact CG2-CG2 4.37Å; C388-V400 HydrophobicContact CB-CG2 3.55Å; V400-T412 HydrophobicContact CG1-CG2 3.2Å; V400-W413 CarbonylContact C-O 3.57Å; V400-W413 WeakPolarHBondContact CA-O 3.46Å; V400-V462 CarbonylContact O-C 3.39Å; V400-V462 WeakPolarHBondContact O-CA 3.32Å; V400-F463 HydrophobicContact CB-CD1 4.09Å; V400-F463 HydrophobicContact CB-CD2 4.42Å; V400-F463 HydrophobicContact CB-CE1 3.59Å; V400-F463 HydrophobicContact CB-CE2 3.96Å; V400-F463 HydrophobicContact CB-CG 4.46Å; V400-F463 HydrophobicContact CB-CZ 3.5Å; V400-F463 HydrophobicContact CG1-CD1 4.35Å; V400-F463 HydrophobicContact CG1-CE1 3.47Å; V400-F463 VanDerWaalsContact CG1-CE1 3.47Å; V400-F463 HydrophobicContact CG1-CE2 4.41Å; V400-F463 HydrophobicContact CG1-CZ 3.5Å; V400-F463 VanDerWaalsContact CG1-CZ 3.5Å; V400-F463 HydrophobicContact CG2-CE2 4.13Å; V400-F463 HydrophobicContact CG2-CZ 3.98Å; V400-F463 PolarHBondContact N-O 3.44Å; V400-F463 PolarHBondContact O-N 3.23Å
401C98.5Very high93.8Very high0 Ų038.9 Ų38.90%024%0.24CC..EExtended strand (participates in β ladder)trans-104.7136.1174.6-63.70000110.3T412 W413 L415 V459 V462C401-T412 WeakPolarHBondContact O-CA 3.48Å; C401-T412 WeakPolarHBondContact O-CG2 3.42Å; C401-W413 HydrophobicContact CB-CD2 3.65Å; C401-W413 HydrophobicContact CB-CE3 4.14Å; C401-W413 HydrophobicContact CB-CG 4.11Å; C401-W413 HydrophobicContact CB-CH2 4.01Å; C401-W413 HydrophobicContact CB-CZ2 3.51Å; C401-W413 HydrophobicContact CB-CZ3 4.31Å; C401-W413 PolarHBondContact N-O 2.76Å; C401-W413 PolarHBondContact O-N 3.27Å; C401-W413 VanDerWaalsContact O-N 3.13Å; C401-L415 WeakPolarHBondContact SG-CB 3.46Å; C401-V459 HydrophobicContact CB-CG2 4.46Å; C401-V462 HydrophobicContact CB-CG1 4.34Å
402V97.8Very high93.7Very high14 Ų1439 Ų399%0.08524%0.241CC..EExtended strand (participates in β ladder)trans-115.2126.9173.7-176.60000109L308 K310 G460 C461 F463L308-V402 HydrophobicContact CB-CG1 4.31Å; K310-V402 HydrophobicContact CB-CG1 4.29Å; K310-V402 HydrophobicContact CB-CG2 4.17Å; V402-G460 PolarHBondContact O-N 2.66Å; V402-C461 PolarHBondContact N-O 3.29Å; V402-C461 PolarHBondContact O-N 3.25Å; V402-F463 HydrophobicContact CG2-CD1 4.4Å; V402-F463 HydrophobicContact CG2-CE1 3.9Å
403G96.4Very high93.7Very high0 Ų038.1 Ų38.10%024%0.236CC..EExtended strand (participates in β ladder)trans-173.6-148.7-173.600000112.5L308 P410 H411 T458L308-G403 WeakPolarHBondContact CD1-O 3.42Å; G403-P410 CarbonylContact O-C 3.53Å; G403-P410 VanDerWaalsContact O-CA 3.3Å; G403-P410 WeakPolarHBondContact O-CA 3.47Å; G403-H411 PolarHBondContact N-O 3.45Å; G403-H411 VanDerWaalsContact N-O 3.14Å; G403-H411 PolarHBondContact O-N 2.83Å; G403-T458 WeakPolarHBondContact CA-O 3.44Å
404T95.4Very high93.8Very high27 Ų2737.2 Ų37.217%0.16623%0.227CC..EExtended strand (participates in β ladder)trans-129.2153.4179.663.10000112.8L308 G409 Y456 R457 T458L308-T404 HydrophobicContact CD1-CG2 3.54Å; T404-G409 VanDerWaalsContact CA-O 3.24Å; T404-G409 WeakPolarHBondContact CA-O 3.03Å; T404-G409 WeakPolarHBondContact CB-O 3.27Å; T404-Y456 CarbonylContact O-C 3.47Å; T404-Y456 WeakPolarHBondContact O-CA 3.44Å; T404-R457 PolarHBondContact O-N 3.34Å; T404-T458 PolarHBondContact N-O 3.49Å; T404-T458 VanDerWaalsContact N-O 3.08Å; T404-T458 PolarHBondContact N-OG1 3.45Å; T404-T458 PolarHBondContact OG1-N 2.98Å; T404-T458 PolarHBondContact OG1-OG1 3.26Å
405K93.3Very high93.9Very high58 Ų5833.7 Ų33.725%0.25221%0.212SC..EExtended strand (participates in β ladder)trans-101.5151.3169.3-152.9171.8-177.4156.10109.9N407 S408 G409 H411 E427 P455 Y456K405-N407 PolarHBondContact O-N 2.94Å; K405-S408 WeakPolarHBondContact CB-OG 3.21Å; K405-S408 WeakPolarHBondContact CD-OG 3.41Å; K405-S408 PolarHBondContact O-N 2.91Å; K405-G409 PolarHBondContact N-O 3.3Å; K405-H411 HydrophobicContact CB-CB 4.25Å; K405-E427 IonicContact NZ-OE2 3.04Å; K405-E427 PolarHBondContact NZ-OE2 3.29Å; K405-P455 WeakPolarHBondContact CA-O 3.36Å; K405-P455 HydrophobicContact CD-CB 4.38Å; K405-P455 HydrophobicContact CG-CB 4Å; K405-P455 HydrophobicContact CG-CG 4.43Å; K405-P455 WeakPolarHBondContact CG-O 3.41Å; K405-Y456 HydrophobicContact CG-CD1 4.46Å
406V84.3Confident94Very high84 Ų8431 Ų3151%0.50918%0.181SC..THydrogen-bonded Turntrans-51.2-30.3-175.2174.70000113.3P455 R457V406-P455 WeakPolarHBondContact CG2-O 3.42Å; V406-P455 PolarHBondContact N-O 3.45Å; V406-R457 HydrophobicContact CG2-CB 4.18Å
407N76.4Confident93.9Very high159 Ų15931.1 Ų31.185%0.8518%0.177SC*.THydrogen-bonded Turntrans-132.54.7-174.7-63.3-35.2000116K405K405-N407 PolarHBondContact O-N 2.94Å
408S75.3Confident93.8Very high41 Ų4129.9 Ų29.929%0.28718%0.177SC..THydrogen-bonded Turntrans-126.13.1-171.474.50000116K405K405-S408 WeakPolarHBondContact CB-OG 3.21Å; K405-S408 WeakPolarHBondContact CD-OG 3.41Å; K405-S408 PolarHBondContact O-N 2.91Å
409G87.6Confident93.5Very high32 Ų3237.6 Ų37.633%0.3323%0.225SC..EExtended strand (participates in β ladder)trans76.7-148.6-177.300000112.4T404 K405 H411T404-G409 VanDerWaalsContact CA-O 3.24Å; T404-G409 WeakPolarHBondContact CA-O 3.03Å; T404-G409 WeakPolarHBondContact CB-O 3.27Å; K405-G409 PolarHBondContact N-O 3.3Å; G409-H411 PolarHBondContact O-N 2.9Å
410P92.3Very high93.2Very high80 Ų8042.6 Ų42.652%0.51925%0.253SS..EExtended strand (participates in β ladder)trans-53.1136.3175.7-25.935.2000111.9L308 G403L308-P410 HydrophobicContact CD1-CB 4.13Å; L308-P410 HydrophobicContact CD1-CG 4.18Å; G403-P410 CarbonylContact O-C 3.53Å; G403-P410 VanDerWaalsContact O-CA 3.3Å; G403-P410 WeakPolarHBondContact O-CA 3.47Å
411H94.9Very high92.7Very high6 Ų645.1 Ų45.13%0.02828%0.279CS..EExtended strand (participates in β ladder)trans-150.6149.4179.8-167.176.7000110G403 K405 G409 W413 E427 Y456G403-H411 PolarHBondContact N-O 3.45Å; G403-H411 VanDerWaalsContact N-O 3.14Å; G403-H411 PolarHBondContact O-N 2.83Å; K405-H411 HydrophobicContact CB-CB 4.25Å; G409-H411 PolarHBondContact O-N 2.9Å; H411-W413 WeakPolarHBondContact O-CZ3 3.26Å; H411-E427 IonicContact CE1-OE1 3.36Å; H411-E427 IonicContact CE1-OE2 2.65Å; H411-E427 IonicContact NE2-OE1 2.79Å; H411-E427 PolarHBondContact NE2-OE1 2.9Å; H411-E427 IonicContact NE2-OE2 3.96Å; H411-E427 PolarHBondContact NE2-OE2 3.13Å; H411-Y456 AromaticContact CD2-CE1 3.53Å; H411-Y456 AromaticContact NE2-CE1 4Å
412T96.3Very high92.5Very high3 Ų346.9 Ų46.92%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-120.5132.2179.3-57.50000109.9E381 A384 V400 C401E381-T412 PolarHBondContact OE1-OG1 2.97Å; A384-T412 HydrophobicContact CB-CG2 3.63Å; V400-T412 HydrophobicContact CG1-CG2 3.2Å; C401-T412 WeakPolarHBondContact O-CA 3.48Å; C401-T412 WeakPolarHBondContact O-CG2 3.42Å
413W98Very high92.4Very high0 Ų047 Ų470%029%0.292CS..EExtended strand (participates in β ladder)trans-141.6-179.3178.770.396.1000110.9V400 C401 H411 F425 Y456 T458 V459 L478V400-W413 CarbonylContact C-O 3.57Å; V400-W413 WeakPolarHBondContact CA-O 3.46Å; C401-W413 HydrophobicContact CB-CD2 3.65Å; C401-W413 HydrophobicContact CB-CE3 4.14Å; C401-W413 HydrophobicContact CB-CG 4.11Å; C401-W413 HydrophobicContact CB-CH2 4.01Å; C401-W413 HydrophobicContact CB-CZ2 3.51Å; C401-W413 HydrophobicContact CB-CZ3 4.31Å; C401-W413 PolarHBondContact N-O 2.76Å; C401-W413 PolarHBondContact O-N 3.27Å; C401-W413 VanDerWaalsContact O-N 3.13Å; H411-W413 WeakPolarHBondContact O-CZ3 3.26Å; W413-F425 AromaticContact NE1-CD1 3.43Å; W413-F425 AromaticContact NE1-CE1 3.94Å; W413-F425 AromaticContact NE1-CG 3.81Å; W413-Y456 HydrophobicContact CB-CE1 3.92Å; W413-Y456 HydrophobicContact CB-CE2 4.14Å; W413-Y456 VanDerWaalsContact CB-OH 3.23Å; W413-Y456 WeakPolarHBondContact CB-OH 3.36Å; W413-Y456 AromaticContact CD1-CE2 3.57Å; W413-Y456 AromaticContact CD1-CZ 3.87Å; W413-Y456 AromaticContact CD2-CD1 3.87Å; W413-Y456 HydrophobicContact CD2-CD1 3.87Å; W413-Y456 AromaticContact CD2-CD2 3.97Å; W413-Y456 HydrophobicContact CD2-CD2 3.97Å; W413-Y456 AromaticContact CD2-CE1 3.83Å; W413-Y456 HydrophobicContact CD2-CE1 3.83Å; W413-Y456 AromaticContact CD2-CE2 3.91Å; W413-Y456 HydrophobicContact CD2-CE2 3.91Å; W413-Y456 AromaticContact CD2-CG 3.95Å; W413-Y456 HydrophobicContact CD2-CG 3.95Å; W413-Y456 AromaticContact CD2-CZ 3.84Å; W413-Y456 AromaticContact CE2-CD2 3.78Å; W413-Y456 AromaticContact CE2-CG 3.94Å; W413-Y456 AromaticContact CE3-CD1 3.75Å; W413-Y456 HydrophobicContact CE3-CD1 3.75Å; W413-Y456 AromaticContact CE3-CE1 3.91Å; W413-Y456 HydrophobicContact CE3-CE1 3.91Å; W413-Y456 HydrophobicContact CE3-CG 4.14Å; W413-Y456 HydrophobicContact CG-CD1 4.37Å; W413-Y456 HydrophobicContact CG-CD2 4.15Å; W413-Y456 AromaticContact CG-CE1 3.87Å; W413-Y456 HydrophobicContact CG-CE1 3.87Å; W413-Y456 AromaticContact CG-CE2 3.61Å; W413-Y456 HydrophobicContact CG-CE2 3.61Å; W413-Y456 AromaticContact CG-CZ 3.44Å; W413-Y456 VanDerWaalsContact CG-CZ 3.44Å; W413-Y456 HydrophobicContact CH2-CG 4.34Å; W413-Y456 HydrophobicContact CZ2-CD2 4.28Å; W413-Y456 HydrophobicContact CZ2-CG 4.15Å; W413-Y456 HydrophobicContact CZ3-CD1 4.14Å; W413-Y456 HydrophobicContact CZ3-CG 4.33Å; W413-Y456 AromaticContact NE1-CD2 3.82Å; W413-Y456 AromaticContact NE1-CE2 3.81Å; W413-T458 WeakPolarHBondContact CH2-O 3.42Å; W413-V459 HydrophobicContact CH2-CB 4.21Å; W413-V459 HydrophobicContact CH2-CG2 4.45Å; W413-V459 HydrophobicContact CZ2-CB 4.32Å; W413-V459 HydrophobicContact CZ2-CG2 4.43Å; W413-L478 HydrophobicContact CZ2-CD1 4.2Å; W413-L478 HydrophobicContact CZ2-CD2 4.3Å
414V98.8Very high92.4Very high0 Ų047.6 Ų47.60%030%0.295CS..EExtended strand (participates in β ladder)trans-115139.6-179.6-173.90000110.9A384 L387 C388 L391 A398 Y399 F425 W426A384-V414 HydrophobicContact CB-CG2 4Å; A384-V414 WeakPolarHBondContact O-CG2 3.22Å; L387-V414 HydrophobicContact CB-CG2 4.02Å; L387-V414 HydrophobicContact CD2-CB 4.28Å; L387-V414 HydrophobicContact CD2-CG2 4.02Å; L387-V414 HydrophobicContact CG-CB 4.45Å; L387-V414 HydrophobicContact CG-CG2 4.04Å; C388-V414 HydrophobicContact CB-CG1 3.99Å; C388-V414 HydrophobicContact CB-CG2 4.09Å; L391-V414 HydrophobicContact CD1-CG1 3.78Å; A398-V414 HydrophobicContact CB-CG1 4.45Å; Y399-V414 CarbonylContact O-C 3.54Å; Y399-V414 WeakPolarHBondContact O-CA 3.49Å; Y399-V414 WeakPolarHBondContact O-CG1 3.43Å; V414-F425 CarbonylContact O-C 3.56Å; V414-F425 WeakPolarHBondContact O-CA 3.32Å; V414-W426 HydrophobicContact CB-CB 4.22Å; V414-W426 PolarHBondContact N-O 2.98Å; V414-W426 VanDerWaalsContact N-O 3.11Å; V414-W426 PolarHBondContact O-N 3.22Å
415L98.1Very high92.5Very high0 Ų046.4 Ų46.40%029%0.288CS..EExtended strand (participates in β ladder)trans-115.4138.7174.4164.2136.2000109.3A398 Y399 C401 R417 I423 T424 F425 F483 F485A398-L415 CarbonylContact C-O 3.52Å; A398-L415 VanDerWaalsContact CA-O 3.28Å; A398-L415 WeakPolarHBondContact CA-O 3.38Å; Y399-L415 HydrophobicContact CD2-CD2 3.89Å; Y399-L415 HydrophobicContact CG-CD2 4.33Å; Y399-L415 PolarHBondContact N-O 2.75Å; Y399-L415 PolarHBondContact O-N 3.27Å; C401-L415 WeakPolarHBondContact SG-CB 3.46Å; L415-R417 HydrophobicContact CD2-CG 3.85Å; L415-I423 HydrophobicContact CD1-CG2 3.28Å; L415-I423 HydrophobicContact CG-CG2 4.09Å; L415-T424 CarbonylContact C-O 3.54Å; L415-T424 WeakPolarHBondContact CA-O 3.45Å; L415-F425 HydrophobicContact CB-CD1 4.17Å; L415-F425 HydrophobicContact CD1-CD1 3.89Å; L415-F425 HydrophobicContact CD1-CE1 3.51Å; L415-F425 HydrophobicContact CG-CD1 4.48Å; L415-F483 HydrophobicContact CD1-CD1 3.53Å; L415-F483 HydrophobicContact CD1-CD2 4.39Å; L415-F483 HydrophobicContact CD1-CE1 3.5Å; L415-F483 VanDerWaalsContact CD1-CE1 3.5Å; L415-F483 HydrophobicContact CD1-CE2 4.35Å; L415-F483 HydrophobicContact CD1-CG 4Å; L415-F483 HydrophobicContact CD1-CZ 3.92Å; L415-F485 HydrophobicContact CD2-CE2 4.3Å; L415-F485 HydrophobicContact CD2-CZ 4.04Å
416T98.4Very high92.8Very high11 Ų1144 Ų447%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-120.3140.5166.556.10000110.7L391 L396 D397 A398 T424 W426L391-T416 HydrophobicContact CD1-CG2 3.74Å; L396-T416 HydrophobicContact CB-CG2 4.2Å; L396-T416 HydrophobicContact CD1-CG2 4.2Å; D397-T416 CarbonylContact O-C 3.51Å; D397-T416 VanDerWaalsContact O-CA 3.28Å; D397-T416 WeakPolarHBondContact O-CA 3.32Å; A398-T416 HydrophobicContact CB-CG2 3.9Å; T416-T424 PolarHBondContact N-O 2.67Å; T416-T424 PolarHBondContact O-N 2.82Å; T416-W426 VanDerWaalsContact CG2-NE1 3.33Å; T416-W426 PolarHBondContact OG1-NE1 3.18Å
417R96.8Very high93.4Very high64 Ų6440.2 Ų40.224%0.24225%0.254CS..EExtended strand (participates in β ladder)trans-101.9121.8174.1-62.4173.760.2-135.38.6109.7D397 L415 I423 F485D397-R417 HydrophobicContact CB-CB 4.24Å; D397-R417 PolarHBondContact O-N 2.81Å; D397-R417 WeakPolarHBondContact OD2-CB 3.48Å; D397-R417 WeakPolarHBondContact OD2-CD 3.37Å; D397-R417 IonicContact OD2-CZ 2.86Å; D397-R417 IonicContact OD2-NE 2.98Å; D397-R417 IonicContact OD2-NH1 3.63Å; D397-R417 PolarHBondContact OD2-NH1 3.39Å; L415-R417 HydrophobicContact CD2-CG 3.85Å; R417-I423 HydrophobicContact CB-CD1 4.35Å; R417-I423 HydrophobicContact CG-CD1 3.65Å; R417-F485 HydrophobicContact CG-CE2 4.47Å
418G95Very high94.3Very high29 Ų2932.6 Ų32.630%0.29921%0.213SC..  trans-72.9156.4169.800000110.9D420 G421 S422G418-D420 WeakPolarHBondContact CA-OD1 3.36Å; G418-D420 PolarHBondContact O-N 3.47Å; G418-G421 PolarHBondContact O-N 3.26Å; G418-S422 PolarHBondContact N-O 2.94Å
419T92.8Very high95.2Very high162 Ų16232.7 Ų32.799%0.99421%0.21SC*.THydrogen-bonded Turntrans-64.7-22174.252.10000112.6G421T419-G421 PolarHBondContact O-N 2.89Å
420D91.4Very high95.6Very high124 Ų12433.7 Ų33.766%0.66321%0.21SC*.THydrogen-bonded Turntrans-81.53172.465.5-17.8000113.2G418 S422G418-D420 WeakPolarHBondContact CA-OD1 3.36Å; G418-D420 PolarHBondContact O-N 3.47Å; D420-S422 VanDerWaalsContact C-N 3.25Å; D420-S422 PolarHBondContact O-N 3.08Å; D420-S422 WeakPolarHBondContact OD1-CB 3.36Å; D420-S422 PolarHBondContact OD1-N 3Å; D420-S422 PolarHBondContact OD1-OG 3.16Å; D420-S422 PolarHBondContact OD2-OG 3.16Å
421G88.6Confident95.7Very high54 Ų5430.8 Ų30.856%0.55719%0.193SC*.SBendtrans79.72.4-17500000114G418 T419G418-G421 PolarHBondContact O-N 3.26Å; T419-G421 PolarHBondContact O-N 2.89Å
422S93.6Very high95.7Very high37 Ų3734.6 Ų34.626%0.25921%0.21SC..  trans-64.7140176.865.10000111.1G418 D420G418-S422 PolarHBondContact N-O 2.94Å; D420-S422 VanDerWaalsContact C-N 3.25Å; D420-S422 PolarHBondContact O-N 3.08Å; D420-S422 WeakPolarHBondContact OD1-CB 3.36Å; D420-S422 PolarHBondContact OD1-N 3Å; D420-S422 PolarHBondContact OD1-OG 3.16Å; D420-S422 PolarHBondContact OD2-OG 3.16Å
423I96.6Very high95.6Very high16 Ų1638.8 Ų38.88%0.08223%0.226CC..EExtended strand (participates in β ladder)trans-111.4122.1-179.1-58.6-59.1000108.6L415 R417 F425 H436 F483L415-I423 HydrophobicContact CD1-CG2 3.28Å; L415-I423 HydrophobicContact CG-CG2 4.09Å; R417-I423 HydrophobicContact CB-CD1 4.35Å; R417-I423 HydrophobicContact CG-CD1 3.65Å; I423-F425 HydrophobicContact CG2-CD1 4.31Å; I423-F425 HydrophobicContact CG2-CE1 3.84Å; I423-F425 HydrophobicContact CG2-CZ 4.24Å; I423-H436 HydrophobicContact CB-CB 3.92Å; I423-H436 HydrophobicContact CG2-CB 3.78Å; I423-H436 PolarHBondContact O-N 3.44Å; I423-F483 HydrophobicContact CD1-CB 3.64Å; I423-F483 HydrophobicContact CD1-CG 4.3Å; I423-F483 HydrophobicContact CG1-CB 3.96Å; I423-F483 HydrophobicContact CG1-CD2 4.26Å; I423-F483 HydrophobicContact CG1-CG 4.35Å; I423-F483 HydrophobicContact CG2-CD2 4.13Å; I423-F483 HydrophobicContact CG2-CE2 4.45Å; I423-F483 HydrophobicContact CG2-CG 4.43Å
424T97.1Very high95.5Very high13 Ų1341.1 Ų41.18%0.0824%0.235CC..EExtended strand (participates in β ladder)trans-117.8126.6174.7-58.80000110.1L415 T416 R433 Y434L415-T424 CarbonylContact C-O 3.54Å; L415-T424 WeakPolarHBondContact CA-O 3.45Å; T416-T424 PolarHBondContact N-O 2.67Å; T416-T424 PolarHBondContact O-N 2.82Å; T424-R433 HydrophobicContact CG2-CB 4.19Å; T424-Y434 WeakPolarHBondContact CA-O 3.37Å
425F98Very high95.3Very high1 Ų145 Ų450%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-92.1143.8168.5-51.4-49.2000110.8W413 V414 L415 I423 R433 Y434 H436 Y456 L478 F483W413-F425 AromaticContact NE1-CD1 3.43Å; W413-F425 AromaticContact NE1-CE1 3.94Å; W413-F425 AromaticContact NE1-CG 3.81Å; V414-F425 CarbonylContact O-C 3.56Å; V414-F425 WeakPolarHBondContact O-CA 3.32Å; L415-F425 HydrophobicContact CB-CD1 4.17Å; L415-F425 HydrophobicContact CD1-CD1 3.89Å; L415-F425 HydrophobicContact CD1-CE1 3.51Å; L415-F425 HydrophobicContact CG-CD1 4.48Å; I423-F425 HydrophobicContact CG2-CD1 4.31Å; I423-F425 HydrophobicContact CG2-CE1 3.84Å; I423-F425 HydrophobicContact CG2-CZ 4.24Å; F425-R433 CarbonylContact O-C 3.59Å; F425-R433 VanDerWaalsContact O-CA 3.26Å; F425-R433 WeakPolarHBondContact O-CA 3.37Å; F425-Y434 PolarHBondContact N-O 2.8Å; F425-Y434 PolarHBondContact O-N 3.05Å; F425-H436 HydrophobicContact CD2-CB 4.04Å; F425-H436 HydrophobicContact CE1-CB 4.35Å; F425-H436 HydrophobicContact CE2-CB 3.41Å; F425-H436 VanDerWaalsContact CE2-CB 3.41Å; F425-H436 AromaticContact CE2-CG 3.52Å; F425-H436 AromaticContact CE2-ND1 3.57Å; F425-H436 HydrophobicContact CZ-CB 3.57Å; F425-H436 AromaticContact CZ-CD2 3.93Å; F425-H436 AromaticContact CZ-CG 3.45Å; F425-H436 VanDerWaalsContact CZ-CG 3.45Å; F425-H436 AromaticContact CZ-ND1 3.78Å; F425-Y456 HydrophobicContact CB-CD2 4.4Å; F425-Y456 HydrophobicContact CB-CE2 3.89Å; F425-Y456 HydrophobicContact CD2-CD2 4.14Å; F425-Y456 HydrophobicContact CD2-CE2 4.44Å; F425-Y456 HydrophobicContact CG-CD2 4.36Å; F425-Y456 HydrophobicContact CG-CE2 4.33Å; F425-L478 HydrophobicContact CD2-CD2 4.4Å; F425-L478 HydrophobicContact CE1-CD1 4.33Å; F425-L478 HydrophobicContact CE2-CD1 4.35Å; F425-L478 HydrophobicContact CE2-CD2 3.61Å; F425-L478 HydrophobicContact CE2-CG 4.1Å; F425-L478 HydrophobicContact CZ-CD1 3.71Å; F425-L478 HydrophobicContact CZ-CD2 3.81Å; F425-L478 HydrophobicContact CZ-CG 3.93Å; F425-F483 HydrophobicContact CE1-CE2 4.06Å; F425-F483 AromaticContact CE1-CZ 3.86Å; F425-F483 HydrophobicContact CE1-CZ 3.86Å; F425-F483 AromaticContact CZ-CE2 3.88Å; F425-F483 HydrophobicContact CZ-CE2 3.88Å; F425-F483 HydrophobicContact CZ-CZ 4.01Å
426W97.9Very high95Very high9 Ų945.9 Ų45.93%0.03426%0.259CS..EExtended strand (participates in β ladder)trans-123.8119.3179-5674.5000108.5P339 R340 A343 L387 L391 V414 T416 S428 R433P339-W426 HydrophobicContact CB-CH2 4.17Å; R340-W426 HydrophobicContact CG-CH2 4.24Å; R340-W426 HydrophobicContact CG-CZ3 4.25Å; A343-W426 HydrophobicContact CB-CE3 3.82Å; A343-W426 HydrophobicContact CB-CZ3 3.97Å; L387-W426 HydrophobicContact CD2-CB 3.92Å; L391-W426 HydrophobicContact CD1-CD2 4.13Å; L391-W426 HydrophobicContact CD1-CG 4.2Å; L391-W426 HydrophobicContact CD2-CH2 4.43Å; V414-W426 HydrophobicContact CB-CB 4.22Å; V414-W426 PolarHBondContact N-O 2.98Å; V414-W426 VanDerWaalsContact N-O 3.11Å; V414-W426 PolarHBondContact O-N 3.22Å; T416-W426 VanDerWaalsContact CG2-NE1 3.33Å; T416-W426 PolarHBondContact OG1-NE1 3.18Å; W426-S428 PolarHBondContact O-N 2.59Å; W426-R433 HydrophobicContact CD2-CG 3.88Å; W426-R433 HydrophobicContact CE3-CG 3.53Å; W426-R433 HydrophobicContact CH2-CG 4.3Å; W426-R433 VanDerWaalsContact CZ2-NE 3.33Å; W426-R433 HydrophobicContact CZ3-CG 3.78Å
427E96.6Very high94.5Very high3 Ų353.5 Ų53.51%0.01429%0.287CS..  trans-83.6109.8173.4177.263.6-84.500109.2K405 H411 L429 T430 A431 H432 Y434 Y456K405-E427 IonicContact NZ-OE2 3.04Å; K405-E427 PolarHBondContact NZ-OE2 3.29Å; H411-E427 IonicContact CE1-OE1 3.36Å; H411-E427 IonicContact CE1-OE2 2.65Å; H411-E427 IonicContact NE2-OE1 2.79Å; H411-E427 PolarHBondContact NE2-OE1 2.9Å; H411-E427 IonicContact NE2-OE2 3.96Å; H411-E427 PolarHBondContact NE2-OE2 3.13Å; E427-L429 VanDerWaalsContact C-N 3.28Å; E427-L429 PolarHBondContact O-N 3.08Å; E427-T430 HydrophobicContact CG-CG2 4.08Å; E427-T430 WeakPolarHBondContact CG-OG1 3.35Å; E427-T430 PolarHBondContact O-N 2.85Å; E427-A431 WeakPolarHBondContact O-CA 3.49Å; E427-A431 PolarHBondContact O-N 3.07Å; E427-H432 PolarHBondContact N-O 3.5Å; E427-Y434 HydrophobicContact CB-CE2 4.2Å; E427-Y456 WeakPolarHBondContact CA-OH 3.39Å; E427-Y456 WeakPolarHBondContact CB-OH 3.18Å; E427-Y456 PolarHBondContact OE2-OH 2.82Å
428S96.1Very high93.9Very high0 Ų053.2 Ų53.20%029%0.293CS..THydrogen-bonded Turntrans-65-30.9-171.2590000112.9S347 W426S347-S428 WeakPolarHBondContact CA-O 3.43Å; S347-S428 PolarHBondContact N-O 3.23Å; W426-S428 PolarHBondContact O-N 2.59Å
429L95.3Very high93.6Very high42 Ų4253.6 Ų53.622%0.2229%0.288CS..THydrogen-bonded Turntrans-81.2-13.7-179.1-58.6-176000114.3H351 C380 H383 E427H351-L429 HydrophobicContact CB-CD2 4.16Å; C380-L429 HydrophobicContact CB-CD1 4.15Å; C380-L429 HydrophobicContact CB-CG 4.43Å; H383-L429 HydrophobicContact CB-CD2 4Å; E427-L429 VanDerWaalsContact C-N 3.28Å; E427-L429 PolarHBondContact O-N 3.08Å
430T94.6Very high93.3Very high54 Ų5449.7 Ų49.733%0.33126%0.261SS..THydrogen-bonded Turntrans-134.1-5.8-173.469.70000114.4E427 H432E427-T430 HydrophobicContact CG-CG2 4.08Å; E427-T430 WeakPolarHBondContact CG-OG1 3.35Å; E427-T430 PolarHBondContact O-N 2.85Å; T430-H432 VanDerWaalsContact CB-ND1 3.25Å; T430-H432 WeakPolarHBondContact CB-ND1 3.46Å; T430-H432 PolarHBondContact O-N 2.93Å; T430-H432 VanDerWaalsContact O-N 3.11Å; T430-H432 PolarHBondContact O-ND1 3.18Å; T430-H432 PolarHBondContact OG1-N 3.39Å; T430-H432 PolarHBondContact OG1-ND1 3.17Å
431A95.8Very high92.9Very high19 Ų1948.4 Ų48.416%0.15726%0.259CS..  trans60.87.4-172.800000115.3A343 E427A343-A431 HydrophobicContact CB-CB 3.99Å; A343-A431 WeakPolarHBondContact O-CB 3.43Å; E427-A431 WeakPolarHBondContact O-CA 3.49Å; E427-A431 PolarHBondContact O-N 3.07Å
432H94.2Very high92.8Very high85 Ų8552.9 Ų52.939%0.39427%0.271SS..  trans-68.2145.5176.9-70.693.5000111.5E427 T430 Y434E427-H432 PolarHBondContact N-O 3.5Å; T430-H432 VanDerWaalsContact CB-ND1 3.25Å; T430-H432 WeakPolarHBondContact CB-ND1 3.46Å; T430-H432 PolarHBondContact O-N 2.93Å; T430-H432 VanDerWaalsContact O-N 3.11Å; T430-H432 PolarHBondContact O-ND1 3.18Å; T430-H432 PolarHBondContact OG1-N 3.39Å; T430-H432 PolarHBondContact OG1-ND1 3.17Å; H432-Y434 HydrophobicContact CB-CE2 3.89Å
433R94.7Very high92.3Very high91 Ų9152.1 Ų52.134%0.34327%0.267SS..EExtended strand (participates in β ladder)trans-117.3138179-65171.569.5-120.4-1.3109.8T424 F425 W426T424-R433 HydrophobicContact CG2-CB 4.19Å; F425-R433 CarbonylContact O-C 3.59Å; F425-R433 VanDerWaalsContact O-CA 3.26Å; F425-R433 WeakPolarHBondContact O-CA 3.37Å; W426-R433 HydrophobicContact CD2-CG 3.88Å; W426-R433 HydrophobicContact CE3-CG 3.53Å; W426-R433 HydrophobicContact CH2-CG 4.3Å; W426-R433 VanDerWaalsContact CZ2-NE 3.33Å; W426-R433 HydrophobicContact CZ3-CG 3.78Å
434Y95Very high91.9Very high50 Ų5055.2 Ų55.220%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-126.5120.2178.2-53.9-85000108.7T424 F425 E427 H432 H436 S453T424-Y434 WeakPolarHBondContact CA-O 3.37Å; F425-Y434 PolarHBondContact N-O 2.8Å; F425-Y434 PolarHBondContact O-N 3.05Å; E427-Y434 HydrophobicContact CB-CE2 4.2Å; H432-Y434 HydrophobicContact CB-CE2 3.89Å; Y434-H436 PolarHBondContact O-N 3.45Å; Y434-S453 VanDerWaalsContact CD1-O 3.24Å; Y434-S453 WeakPolarHBondContact CD1-O 3.48Å; Y434-S453 WeakPolarHBondContact CE1-O 3.02Å
435L94.1Very high91.1Very high81 Ų8161.2 Ų61.242%0.42433%0.327SS..EExtended strand (participates in β ladder)trans-76.1117.4170.3-176.769.3000108.1S453L435-S453 PolarHBondContact O-OG 3.33Å
436H93Very high90.4Very high19 Ų1969.2 Ų69.29%0.08837%0.369CS..EExtended strand (participates in β ladder)trans-83.1132.7178-178.853.7000110.5I423 F425 Y434 L478 C481 F483I423-H436 HydrophobicContact CB-CB 3.92Å; I423-H436 HydrophobicContact CG2-CB 3.78Å; I423-H436 PolarHBondContact O-N 3.44Å; F425-H436 HydrophobicContact CD2-CB 4.04Å; F425-H436 HydrophobicContact CE1-CB 4.35Å; F425-H436 HydrophobicContact CE2-CB 3.41Å; F425-H436 VanDerWaalsContact CE2-CB 3.41Å; F425-H436 AromaticContact CE2-CG 3.52Å; F425-H436 AromaticContact CE2-ND1 3.57Å; F425-H436 HydrophobicContact CZ-CB 3.57Å; F425-H436 AromaticContact CZ-CD2 3.93Å; F425-H436 AromaticContact CZ-CG 3.45Å; F425-H436 VanDerWaalsContact CZ-CG 3.45Å; F425-H436 AromaticContact CZ-ND1 3.78Å; Y434-H436 PolarHBondContact O-N 3.45Å; H436-L478 PolarHBondContact CE1-O 2.97Å; H436-L478 PolarHBondContact NE2-O 2.93Å; H436-C481 PolarHBondContact NE2-O 3.07Å; H436-F483 AromaticContact CD2-CD2 3.78Å; H436-F483 AromaticContact CD2-CE2 3.68Å; H436-F483 AromaticContact NE2-CE2 3.74Å
437R87.6Confident89.6Confident170 Ų17072.2 Ų72.264%0.64239%0.388SS*.  trans-133111.4171.5-67-175.9-176.2170.51107P450R437-P450 HydrophobicContact CB-CB 3.67Å; R437-P450 HydrophobicContact CB-CG 3.93Å; R437-P450 WeakPolarHBondContact O-CG 3.49Å
438P84.9Confident89Confident58 Ų5877.8 Ų77.838%0.37742%0.424SS..  trans-66.5143.6-179.428-33.2000110.2P450 E479P438-P450 WeakPolarHBondContact O-CG 3.26Å; P438-E479 CarbonylContact C-O 3.51Å; P438-E479 VanDerWaalsContact CA-O 3.27Å; P438-E479 WeakPolarHBondContact CA-O 3.31Å
439I87.9Confident88.4Confident37 Ų3781.4 Ų81.419%0.1944%0.442CS..  trans-72.5129.7167.2-65.8175.5000107P441 Q449 P450 E479 L480I439-P441 WeakPolarHBondContact O-CD 3.32Å; I439-Q449 HydrophobicContact CG2-CG 4.46Å; I439-P450 HydrophobicContact CG1-CG 4.16Å; I439-E479 HydrophobicContact CD1-CB 4.03Å; I439-E479 HydrophobicContact CD1-CG 4.11Å; I439-E479 HydrophobicContact CG1-CB 4.48Å; I439-E479 PolarHBondContact N-O 2.98Å; I439-L480 HydrophobicContact CB-CD2 4.09Å; I439-L480 HydrophobicContact CG2-CD2 4.18Å
440D85.8Confident87.8Confident81 Ų8181.2 Ų81.243%0.43344%0.443SS..  trans-97.8103.6174-177.3-0.4000108.7D442 A443 Q449D440-D442 PolarHBondContact O-N 3.43Å; D440-D442 PolarHBondContact OD1-N 3.3Å; D440-A443 HydrophobicContact CB-CB 3.91Å; D440-A443 WeakPolarHBondContact O-CB 3.47Å; D440-A443 PolarHBondContact O-N 2.93Å; D440-Q449 PolarHBondContact O-NE2 2.91Å
441P83.6Confident87.2Confident96 Ų9687.7 Ų87.762%0.62347%0.466SS*.THydrogen-bonded Turntrans-66.5-19.7-17929.4-35.2000112.8I439I439-P441 WeakPolarHBondContact O-CD 3.32Å
442D85.7Confident86.5Confident148 Ų14890.9 Ų90.979%0.79149%0.485SS*.THydrogen-bonded Turntrans-94.1-2.5-178.4-60.3-44.6000112.2D440D440-D442 PolarHBondContact O-N 3.43Å; D440-D442 PolarHBondContact OD1-N 3.3Å
443A84.4Confident86Confident21 Ų2190.2 Ų90.217%0.17449%0.49CS..SBendtrans-68.5147.2179.400000112.2D440 V447D440-A443 HydrophobicContact CB-CB 3.91Å; D440-A443 WeakPolarHBondContact O-CB 3.47Å; D440-A443 PolarHBondContact O-N 2.93Å; A443-V447 HydrophobicContact CB-CB 4.42Å
444P86.8Confident85.9Confident82 Ų8286.8 Ų86.853%0.53248%0.48SS..  trans-55.2144.2178.6-2431.4000112.4L446 V447P444-L446 PolarHBondContact O-N 2.84Å; P444-V447 HydrophobicContact CB-CG2 4.13Å; P444-V447 HydrophobicContact CG-CG2 4.21Å; P444-V447 WeakPolarHBondContact O-CB 3.39Å; P444-V447 PolarHBondContact O-N 2.87Å
445P80.6Confident85.8Confident139 Ų13986 Ų8690%0.90348%0.481SS*.THydrogen-bonded Turntrans-57.1-22.9-173.4-25.832.7000115.6
446L83.7Confident85.9Confident168 Ų16882.7 Ų82.788%0.8846%0.463SS*.THydrogen-bonded Turntrans-84.1-10.6-179.8-66.3166.9000113.1P444 P448P444-L446 PolarHBondContact O-N 2.84Å; L446-P448 WeakPolarHBondContact O-CD 3.32Å
447V82.4Confident86Confident72 Ų7289.6 Ų89.644%0.43649%0.488SS..SBendtrans-79119.7178.6-179.80000109A443 P444 Q449A443-V447 HydrophobicContact CB-CB 4.42Å; P444-V447 HydrophobicContact CB-CG2 4.13Å; P444-V447 HydrophobicContact CG-CG2 4.21Å; P444-V447 WeakPolarHBondContact O-CB 3.39Å; P444-V447 PolarHBondContact O-N 2.87Å; V447-Q449 PolarHBondContact O-N 2.93Å; V447-Q449 VanDerWaalsContact O-N 3.13Å
448P82.6Confident86.4Confident120 Ų12082.4 Ų82.478%0.77946%0.463SS*.PPolyproline II helixtrans-61.6118.4177.2-2233.5000110.8L446L446-P448 WeakPolarHBondContact O-CD 3.32Å
449Q83.6Confident87Confident77 Ų7779.6 Ų79.636%0.3645%0.445SS..PPolyproline II helixtrans-73.7143.5175.7-66.3-67.2-16.500110.6I439 D440 V447I439-Q449 HydrophobicContact CG2-CG 4.46Å; D440-Q449 PolarHBondContact O-NE2 2.91Å; V447-Q449 PolarHBondContact O-N 2.93Å; V447-Q449 VanDerWaalsContact O-N 3.13Å
450P83.1Confident87.4Confident37 Ų3777.9 Ų77.924%0.2444%0.437CS..PPolyproline II helixtrans-65.5136.9175.527-31.3000110.2R437 P438 I439R437-P450 HydrophobicContact CB-CB 3.67Å; R437-P450 HydrophobicContact CB-CG 3.93Å; R437-P450 WeakPolarHBondContact O-CG 3.49Å; P438-P450 WeakPolarHBondContact O-CG 3.26Å; I439-P450 HydrophobicContact CG1-CG 4.16Å
451K82.2Confident88Confident191 Ų19174 Ų7483%0.8342%0.416SS*.PPolyproline II helixtrans-79.4132.1171.1-69-176.8-179.9179.30109.5S453K451-S453 PolarHBondContact O-N 3.41Å
452P79.8Confident88.8Confident86 Ų8669.5 Ų69.556%0.55839%0.386SS*.PPolyproline II helixtrans-56.7121.8173.8-23.632.8000110.7E479P452-E479 HydrophobicContact CG-CB 4.33Å; P452-E479 WeakPolarHBondContact CG-OE2 3.32Å
453S85.4Confident89.4Confident71 Ų7162.4 Ų62.450%0.49735%0.349SS..  trans-100.5-26.1-178.763.30000112.8Y434 L435 K451Y434-S453 VanDerWaalsContact CD1-O 3.24Å; Y434-S453 WeakPolarHBondContact CD1-O 3.48Å; Y434-S453 WeakPolarHBondContact CE1-O 3.02Å; L435-S453 PolarHBondContact O-OG 3.33Å; K451-S453 PolarHBondContact O-N 3.41Å
454S91.1Very high89.9Confident19 Ų1961.7 Ų61.713%0.13334%0.342CS..SBendtrans-87.6152.1-178.763.10000112.4Y456S454-Y456 PolarHBondContact O-N 3Å
455P93.7Very high90.2Very high33 Ų3359.8 Ų59.821%0.21433%0.326CS..SBendtrans-802.8179.435.4-38.5000114.2K405 V406K405-P455 WeakPolarHBondContact CA-O 3.36Å; K405-P455 HydrophobicContact CD-CB 4.38Å; K405-P455 HydrophobicContact CG-CB 4Å; K405-P455 HydrophobicContact CG-CG 4.43Å; K405-P455 WeakPolarHBondContact CG-O 3.41Å; V406-P455 WeakPolarHBondContact CG2-O 3.42Å; V406-P455 PolarHBondContact N-O 3.45Å
456Y95.6Very high90.8Very high11 Ų1157.2 Ų57.24%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-88.6141.8-175-50.4-53.8000111.4T404 K405 H411 W413 F425 E427 S454 L478T404-Y456 CarbonylContact O-C 3.47Å; T404-Y456 WeakPolarHBondContact O-CA 3.44Å; K405-Y456 HydrophobicContact CG-CD1 4.46Å; H411-Y456 AromaticContact CD2-CE1 3.53Å; H411-Y456 AromaticContact NE2-CE1 4Å; W413-Y456 HydrophobicContact CB-CE1 3.92Å; W413-Y456 HydrophobicContact CB-CE2 4.14Å; W413-Y456 VanDerWaalsContact CB-OH 3.23Å; W413-Y456 WeakPolarHBondContact CB-OH 3.36Å; W413-Y456 AromaticContact CD1-CE2 3.57Å; W413-Y456 AromaticContact CD1-CZ 3.87Å; W413-Y456 AromaticContact CD2-CD1 3.87Å; W413-Y456 HydrophobicContact CD2-CD1 3.87Å; W413-Y456 AromaticContact CD2-CD2 3.97Å; W413-Y456 HydrophobicContact CD2-CD2 3.97Å; W413-Y456 AromaticContact CD2-CE1 3.83Å; W413-Y456 HydrophobicContact CD2-CE1 3.83Å; W413-Y456 AromaticContact CD2-CE2 3.91Å; W413-Y456 HydrophobicContact CD2-CE2 3.91Å; W413-Y456 AromaticContact CD2-CG 3.95Å; W413-Y456 HydrophobicContact CD2-CG 3.95Å; W413-Y456 AromaticContact CD2-CZ 3.84Å; W413-Y456 AromaticContact CE2-CD2 3.78Å; W413-Y456 AromaticContact CE2-CG 3.94Å; W413-Y456 AromaticContact CE3-CD1 3.75Å; W413-Y456 HydrophobicContact CE3-CD1 3.75Å; W413-Y456 AromaticContact CE3-CE1 3.91Å; W413-Y456 HydrophobicContact CE3-CE1 3.91Å; W413-Y456 HydrophobicContact CE3-CG 4.14Å; W413-Y456 HydrophobicContact CG-CD1 4.37Å; W413-Y456 HydrophobicContact CG-CD2 4.15Å; W413-Y456 AromaticContact CG-CE1 3.87Å; W413-Y456 HydrophobicContact CG-CE1 3.87Å; W413-Y456 AromaticContact CG-CE2 3.61Å; W413-Y456 HydrophobicContact CG-CE2 3.61Å; W413-Y456 AromaticContact CG-CZ 3.44Å; W413-Y456 VanDerWaalsContact CG-CZ 3.44Å; W413-Y456 HydrophobicContact CH2-CG 4.34Å; W413-Y456 HydrophobicContact CZ2-CD2 4.28Å; W413-Y456 HydrophobicContact CZ2-CG 4.15Å; W413-Y456 HydrophobicContact CZ3-CD1 4.14Å; W413-Y456 HydrophobicContact CZ3-CG 4.33Å; W413-Y456 AromaticContact NE1-CD2 3.82Å; W413-Y456 AromaticContact NE1-CE2 3.81Å; F425-Y456 HydrophobicContact CB-CD2 4.4Å; F425-Y456 HydrophobicContact CB-CE2 3.89Å; F425-Y456 HydrophobicContact CD2-CD2 4.14Å; F425-Y456 HydrophobicContact CD2-CE2 4.44Å; F425-Y456 HydrophobicContact CG-CD2 4.36Å; F425-Y456 HydrophobicContact CG-CE2 4.33Å; E427-Y456 WeakPolarHBondContact CA-OH 3.39Å; E427-Y456 WeakPolarHBondContact CB-OH 3.18Å; E427-Y456 PolarHBondContact OE2-OH 2.82Å; S454-Y456 PolarHBondContact O-N 3Å; Y456-L478 HydrophobicContact CD2-CD2 4.19Å; Y456-L478 HydrophobicContact CG-CD2 4.24Å
457R94.9Very high91.4Very high165 Ų16550.3 Ų50.362%0.62327%0.267SS*.EExtended strand (participates in β ladder)trans-109-46.8-173.3-174.7-175.6-178.5178.20.5112.9T404 V406 A477 L478T404-R457 PolarHBondContact O-N 3.34Å; V406-R457 HydrophobicContact CG2-CB 4.18Å; R457-A477 WeakPolarHBondContact O-CA 3.22Å; R457-L478 PolarHBondContact O-N 2.9Å
458T96.1Very high92.1Very high18 Ų1847 Ų4711%0.1125%0.246CC..EExtended strand (participates in β ladder)trans-131.2155.9-179.4680000111.7G403 T404 W413 D476G403-T458 WeakPolarHBondContact CA-O 3.44Å; T404-T458 PolarHBondContact N-O 3.49Å; T404-T458 VanDerWaalsContact N-O 3.08Å; T404-T458 PolarHBondContact N-OG1 3.45Å; T404-T458 PolarHBondContact OG1-N 2.98Å; T404-T458 PolarHBondContact OG1-OG1 3.26Å; W413-T458 WeakPolarHBondContact CH2-O 3.42Å; T458-D476 CarbonylContact C-O 3.56Å; T458-D476 WeakPolarHBondContact CA-O 3.41Å; T458-D476 WeakPolarHBondContact CB-O 3.2Å
459V97.6Very high92.9Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-132.9120.8170.258.80000110.2C401 W413 V462 N471 D476 L478 C481 F483 W491C401-V459 HydrophobicContact CB-CG2 4.46Å; W413-V459 HydrophobicContact CH2-CB 4.21Å; W413-V459 HydrophobicContact CH2-CG2 4.45Å; W413-V459 HydrophobicContact CZ2-CB 4.32Å; W413-V459 HydrophobicContact CZ2-CG2 4.43Å; V459-V462 HydrophobicContact CG2-CG1 4.11Å; V459-N471 WeakPolarHBondContact O-CB 3.39Å; V459-N471 PolarHBondContact O-ND2 3.02Å; V459-D476 PolarHBondContact N-O 2.87Å; V459-L478 HydrophobicContact CB-CD1 3.85Å; V459-L478 HydrophobicContact CG1-CD1 3.55Å; V459-C481 HydrophobicContact CG1-CB 4.09Å; V459-C481 VanDerWaalsContact CG1-SG 3.59Å; V459-F483 HydrophobicContact CG1-CZ 4.14Å; V459-W491 HydrophobicContact CG1-CH2 4.48Å; V459-W491 HydrophobicContact CG2-CH2 4.28Å
460G97.6Very high93.6Very high1 Ų138.1 Ų38.11%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-97.6-41-178.800000112.9L308 V402 N471L308-G460 CarbonylContact O-C 3.53Å; L308-G460 VanDerWaalsContact O-CA 3.27Å; L308-G460 WeakPolarHBondContact O-CA 3.24Å; V402-G460 PolarHBondContact O-N 2.66Å; G460-N471 WeakPolarHBondContact O-CB 3.46Å; G460-N471 PolarHBondContact O-N 3.16Å
461C98.4Very high94.3Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-148.9162.2173.267.90000112.8L308 V309 K310 V402 L469 A470L308-C461 PolarHBondContact O-N 3.29Å; V309-C461 HydrophobicContact CB-CB 4.43Å; V309-C461 HydrophobicContact CG1-CB 4.07Å; V309-C461 HydrophobicContact CG2-CB 4.36Å; K310-C461 PolarHBondContact N-SG 3.01Å; V402-C461 PolarHBondContact N-O 3.29Å; V402-C461 PolarHBondContact O-N 3.25Å; C461-L469 CarbonylContact C-O 3.37Å; C461-L469 WeakPolarHBondContact CA-O 3.39Å; C461-L469 VanDerWaalsContact CB-O 3.26Å; C461-L469 WeakPolarHBondContact CB-O 3.4Å; C461-A470 HydrophobicContact CB-CB 4.47Å
462V98.6Very high94.9Very high0 Ų027.5 Ų27.50%015%0.145CC..EExtended strand (participates in β ladder)trans-128.9146.5169.1-55.70000109.7Y399 V400 C401 V459 L469 F483 F485 W491Y399-V462 HydrophobicContact CD1-CG2 4.28Å; V400-V462 CarbonylContact O-C 3.39Å; V400-V462 WeakPolarHBondContact O-CA 3.32Å; C401-V462 HydrophobicContact CB-CG1 4.34Å; V459-V462 HydrophobicContact CG2-CG1 4.11Å; V462-L469 HydrophobicContact CG2-CB 3.76Å; V462-L469 HydrophobicContact CG2-CD1 3.96Å; V462-L469 HydrophobicContact CG2-CG 4.49Å; V462-L469 PolarHBondContact N-O 3.23Å; V462-L469 PolarHBondContact O-N 3.46Å; V462-F483 HydrophobicContact CG1-CE1 4.33Å; V462-F485 HydrophobicContact CB-CZ 4.49Å; V462-F485 HydrophobicContact CG2-CE1 3.88Å; V462-F485 HydrophobicContact CG2-CE2 4.16Å; V462-F485 HydrophobicContact CG2-CZ 3.59Å; V462-W491 HydrophobicContact CG1-CH2 3.93Å; V462-W491 HydrophobicContact CG1-CZ3 4.03Å; V462-W491 HydrophobicContact CG2-CE3 4.28Å; V462-W491 HydrophobicContact CG2-CH2 4.39Å; V462-W491 HydrophobicContact CG2-CZ3 3.91Å
463F98.3Very high95.6Very high0 Ų024.2 Ų24.20%012%0.122CC..EExtended strand (participates in β ladder)trans-151.2157.7178.570.8-87.1000112.3V323 V327 W366 Y399 V400 V402 T467 L468V323-F463 HydrophobicContact CB-CD1 4.46Å; V323-F463 HydrophobicContact CB-CD2 4.16Å; V323-F463 HydrophobicContact CB-CE1 4.13Å; V323-F463 HydrophobicContact CB-CE2 3.8Å; V323-F463 HydrophobicContact CB-CG 4.48Å; V323-F463 HydrophobicContact CB-CZ 3.81Å; V323-F463 HydrophobicContact CG2-CB 4.42Å; V323-F463 HydrophobicContact CG2-CD1 3.85Å; V323-F463 HydrophobicContact CG2-CD2 3.8Å; V323-F463 HydrophobicContact CG2-CE1 4.01Å; V323-F463 HydrophobicContact CG2-CE2 3.96Å; V323-F463 HydrophobicContact CG2-CG 3.75Å; V323-F463 HydrophobicContact CG2-CZ 4.08Å; V323-F463 WeakPolarHBondContact O-CE2 3.39Å; V327-F463 HydrophobicContact CG2-CD2 4.34Å; V327-F463 HydrophobicContact CG2-CE2 3.75Å; W366-F463 HydrophobicContact CH2-CE1 4.08Å; W366-F463 AromaticContact CH2-CZ 3.61Å; W366-F463 HydrophobicContact CH2-CZ 3.61Å; W366-F463 HydrophobicContact CZ3-CE2 4.42Å; W366-F463 AromaticContact CZ3-CZ 3.74Å; W366-F463 HydrophobicContact CZ3-CZ 3.74Å; Y399-F463 CarbonylContact C-O 3.5Å; Y399-F463 WeakPolarHBondContact CA-O 3.44Å; V400-F463 HydrophobicContact CB-CD1 4.09Å; V400-F463 HydrophobicContact CB-CD2 4.42Å; V400-F463 HydrophobicContact CB-CE1 3.59Å; V400-F463 HydrophobicContact CB-CE2 3.96Å; V400-F463 HydrophobicContact CB-CG 4.46Å; V400-F463 HydrophobicContact CB-CZ 3.5Å; V400-F463 HydrophobicContact CG1-CD1 4.35Å; V400-F463 HydrophobicContact CG1-CE1 3.47Å; V400-F463 VanDerWaalsContact CG1-CE1 3.47Å; V400-F463 HydrophobicContact CG1-CE2 4.41Å; V400-F463 HydrophobicContact CG1-CZ 3.5Å; V400-F463 VanDerWaalsContact CG1-CZ 3.5Å; V400-F463 HydrophobicContact CG2-CE2 4.13Å; V400-F463 HydrophobicContact CG2-CZ 3.98Å; V400-F463 PolarHBondContact N-O 3.44Å; V400-F463 PolarHBondContact O-N 3.23Å; V402-F463 HydrophobicContact CG2-CD1 4.4Å; V402-F463 HydrophobicContact CG2-CE1 3.9Å; F463-T467 CarbonylContact C-O 3.47Å; F463-T467 WeakPolarHBondContact CA-O 3.45Å; F463-T467 WeakPolarHBondContact CB-O 3.36Å; F463-L468 HydrophobicContact CB-CB 4.21Å; F463-L468 HydrophobicContact CB-CG 4.13Å
464N96.7Very high95.9Very high6 Ų625.1 Ų25.13%0.03213%0.127CC..  trans-140.2-162.5166.46913.7000109.2C324 V327 L392 A398 Y399 Q466 T467C324-N464 WeakPolarHBondContact CB-O 3.47Å; C324-N464 PolarHBondContact SG-O 3.31Å; V327-N464 HydrophobicContact CG1-CB 4.46Å; L392-N464 HydrophobicContact CD1-CB 4.49Å; A398-N464 WeakPolarHBondContact O-CB 3.34Å; A398-N464 PolarHBondContact O-ND2 3.47Å; Y399-N464 HydrophobicContact CD1-CB 4.1Å; Y399-N464 HydrophobicContact CE1-CB 4.48Å; Y399-N464 WeakPolarHBondContact CE1-ND2 3.28Å; N464-Q466 PolarHBondContact O-N 2.95Å; N464-Q466 PolarHBondContact OD1-N 3.26Å; N464-T467 PolarHBondContact N-O 3.46Å; N464-T467 PolarHBondContact OD1-N 2.67Å; N464-T467 PolarHBondContact OD1-OG1 2.91Å
465H92.7Very high96Very high42 Ų4226.3 Ų26.319%0.19414%0.135CC..SBendtrans-67.5-11.4-179.271.7-70.8000115.3V327 L392V327-H465 HydrophobicContact CB-CB 4.43Å; V327-H465 HydrophobicContact CG1-CB 4.26Å; V327-H465 WeakPolarHBondContact O-CB 3.29Å; L392-H465 WeakPolarHBondContact CD1-ND1 3.39Å
466Q93.2Very high96Very high85 Ų8526.8 Ų26.840%0.39714%0.136SC..SBendtrans-121.3-29.2-176.2-62.7-179.5-0.200113.2N464 L499N464-Q466 PolarHBondContact O-N 2.95Å; N464-Q466 PolarHBondContact OD1-N 3.26Å; Q466-L499 WeakPolarHBondContact O-CD1 3.34Å
467T95.8Very high95.9Very high23 Ų2327.1 Ų27.114%0.14114%0.141CC..  trans-134.4146.5-166.457.30000111.2Y399 F463 N464 E496Y399-T467 VanDerWaalsContact CE1-OG1 3.28Å; Y399-T467 WeakPolarHBondContact CE1-OG1 3.27Å; F463-T467 CarbonylContact C-O 3.47Å; F463-T467 WeakPolarHBondContact CA-O 3.45Å; F463-T467 WeakPolarHBondContact CB-O 3.36Å; N464-T467 PolarHBondContact N-O 3.46Å; N464-T467 PolarHBondContact OD1-N 2.67Å; N464-T467 PolarHBondContact OD1-OG1 2.91Å; T467-E496 HydrophobicContact CG2-CG 4.41Å
468L98.1Very high95.9Very high2 Ų219.4 Ų19.41%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-133.8123.2169.3-172.4155.9000107.8W293 V323 F463 A493 M494 L499W293-L468 HydrophobicContact CH2-CD2 3.83Å; W293-L468 HydrophobicContact CZ2-CD2 4.22Å; V323-L468 HydrophobicContact CG2-CD1 3.83Å; F463-L468 HydrophobicContact CB-CB 4.21Å; F463-L468 HydrophobicContact CB-CG 4.13Å; L468-A493 CarbonylContact O-C 3.6Å; L468-A493 WeakPolarHBondContact O-CA 3.35Å; L468-M494 HydrophobicContact CB-CB 4.44Å; L468-M494 HydrophobicContact CB-CG 4.41Å; L468-M494 HydrophobicContact CB-SD 4.28Å; L468-M494 HydrophobicContact CD1-SD 4.16Å; L468-M494 HydrophobicContact CD2-CE 4.16Å; L468-M494 HydrophobicContact CD2-CG 4.13Å; L468-M494 HydrophobicContact CD2-SD 4.08Å; L468-M494 HydrophobicContact CG-SD 4.41Å; L468-M494 PolarHBondContact O-N 3Å; L468-L499 HydrophobicContact CB-CD1 4.11Å
469L98.3Very high95.7Very high11 Ų1122.9 Ų22.96%0.05813%0.127CC..EExtended strand (participates in β ladder)trans-126.9120.9-174.1-67.3153.7000108.9Y399 C461 V462 F485 W491 K492 A493Y399-L469 HydrophobicContact CE1-CD1 4.28Å; C461-L469 CarbonylContact C-O 3.37Å; C461-L469 WeakPolarHBondContact CA-O 3.39Å; C461-L469 VanDerWaalsContact CB-O 3.26Å; C461-L469 WeakPolarHBondContact CB-O 3.4Å; V462-L469 HydrophobicContact CG2-CB 3.76Å; V462-L469 HydrophobicContact CG2-CD1 3.96Å; V462-L469 HydrophobicContact CG2-CG 4.49Å; V462-L469 PolarHBondContact N-O 3.23Å; V462-L469 PolarHBondContact O-N 3.46Å; L469-F485 HydrophobicContact CD1-CB 3.96Å; L469-F485 HydrophobicContact CD1-CD1 4.03Å; L469-F485 HydrophobicContact CD1-CD2 3.74Å; L469-F485 HydrophobicContact CD1-CE1 4.48Å; L469-F485 HydrophobicContact CD1-CE2 4.2Å; L469-F485 HydrophobicContact CD1-CG 3.66Å; L469-W491 HydrophobicContact CB-CB 4.39Å; L469-W491 HydrophobicContact CB-CE3 3.86Å; L469-W491 HydrophobicContact CD2-CB 4Å; L469-K492 WeakPolarHBondContact CA-O 3.41Å; L469-A493 HydrophobicContact CD2-CB 3.57Å
470A98.3Very high95.5Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-95.7140.8171.200000111.6W293 F297 V309 C461 C472 W491 K492W293-A470 HydrophobicContact CH2-CB 3.53Å; W293-A470 HydrophobicContact CZ2-CB 4.11Å; F297-A470 HydrophobicContact CD2-CB 3.83Å; F297-A470 HydrophobicContact CE2-CB 3.46Å; F297-A470 VanDerWaalsContact CE2-CB 3.46Å; F297-A470 HydrophobicContact CZ-CB 3.92Å; V309-A470 HydrophobicContact CG1-CB 4.03Å; V309-A470 HydrophobicContact CG2-CB 3.92Å; C461-A470 HydrophobicContact CB-CB 4.47Å; A470-C472 PolarHBondContact O-N 2.92Å; A470-W491 WeakPolarHBondContact O-CA 3.44Å; A470-K492 PolarHBondContact N-O 2.9Å; A470-K492 PolarHBondContact O-N 2.84Å
471N97.8Very high95.4Very high0 Ų025.9 Ų25.90%014%0.142CC..EExtended strand (participates in β ladder)trans-73.2108.3-179.7-1764.2000110.4K307 V459 G460 Q473 W491K307-N471 WeakPolarHBondContact CD-O 2.79Å; K307-N471 PolarHBondContact NZ-O 3.12Å; V459-N471 WeakPolarHBondContact O-CB 3.39Å; V459-N471 PolarHBondContact O-ND2 3.02Å; G460-N471 WeakPolarHBondContact O-CB 3.46Å; G460-N471 PolarHBondContact O-N 3.16Å; N471-Q473 VanDerWaalsContact OD1-CB 3.23Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.18Å; N471-Q473 WeakPolarHBondContact OD1-CG 3.47Å; N471-Q473 PolarHBondContact OD1-N 3.47Å; N471-Q473 VanDerWaalsContact OD1-N 3.07Å; N471-Q473 PolarHBondContact OD1-NE2 3.33Å; N471-W491 HydrophobicContact CB-CE3 4.18Å; N471-W491 HydrophobicContact CB-CH2 3.96Å; N471-W491 HydrophobicContact CB-CZ3 3.74Å
472C95.8Very high95.1Very high4 Ų428.1 Ų28.13%0.02716%0.156CC..  trans-983.9178.6-64.20000113.6F297 I300 A470 R490 K492F297-C472 WeakPolarHBondContact CE2-SG 3.27Å; I300-C472 HydrophobicContact CD1-CB 4.41Å; A470-C472 PolarHBondContact O-N 2.92Å; C472-R490 WeakPolarHBondContact CA-O 3.26Å; C472-R490 PolarHBondContact N-O 2.88Å; C472-K492 WeakPolarHBondContact SG-CB 3.3Å
473Q94.4Very high95Very high17 Ų1728.8 Ų28.88%0.07916%0.159CC..SBendtrans-62.8156.4176.6-64.7171.596.500111.3K307 N471 S475 C481 R490K307-Q473 PolarHBondContact NZ-O 3.35Å; N471-Q473 VanDerWaalsContact OD1-CB 3.23Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.18Å; N471-Q473 WeakPolarHBondContact OD1-CG 3.47Å; N471-Q473 PolarHBondContact OD1-N 3.47Å; N471-Q473 VanDerWaalsContact OD1-N 3.07Å; N471-Q473 PolarHBondContact OD1-NE2 3.33Å; Q473-S475 PolarHBondContact O-N 3.05Å; Q473-C481 PolarHBondContact NE2-SG 3.3Å; Q473-R490 HydrophobicContact CG-CB 3.78Å; Q473-R490 HydrophobicContact CG-CG 3.96Å; Q473-R490 PolarHBondContact N-O 2.77Å
474P91.9Very high94.7Very high90 Ų9031.1 Ų31.158%0.58417%0.172SC*.SBendtrans-53.4-37.2-179.7-2531.1000114.2
475S92.4Very high94.6Very high45 Ų4532 Ų3232%0.31518%0.175SC..  trans-115.9145.4176.5-175.10000110Q473 A477Q473-S475 PolarHBondContact O-N 3.05Å; S475-A477 VanDerWaalsContact OG-CB 3.24Å; S475-A477 WeakPolarHBondContact OG-CB 3.39Å; S475-A477 PolarHBondContact OG-N 3.48Å; S475-A477 VanDerWaalsContact OG-N 3.1Å
476D93.7Very high94.6Very high43 Ų4338.1 Ų38.123%0.2320%0.204CC..  trans-93.41.3167.665.7-21.9000112.7K307 T458 V459 L478K307-D476 HydrophobicContact CD-CB 4.38Å; K307-D476 HydrophobicContact CG-CB 4.26Å; T458-D476 CarbonylContact C-O 3.56Å; T458-D476 WeakPolarHBondContact CA-O 3.41Å; T458-D476 WeakPolarHBondContact CB-O 3.2Å; V459-D476 PolarHBondContact N-O 2.87Å; D476-L478 PolarHBondContact O-N 3.04Å
477A94.2Very high94.7Very high18 Ų1836.5 Ų36.515%0.14920%0.198CC..BIsolated β-bridgetrans-58.3124.7175.600000110.6R457 S475 E479 L480 C481R457-A477 WeakPolarHBondContact O-CA 3.22Å; S475-A477 VanDerWaalsContact OG-CB 3.24Å; S475-A477 WeakPolarHBondContact OG-CB 3.39Å; S475-A477 PolarHBondContact OG-N 3.48Å; S475-A477 VanDerWaalsContact OG-N 3.1Å; A477-E479 VanDerWaalsContact C-N 3.3Å; A477-E479 PolarHBondContact O-N 3.11Å; A477-L480 HydrophobicContact CB-CD1 4.35Å; A477-L480 HydrophobicContact CB-CG 4.48Å; A477-L480 PolarHBondContact O-N 3.08Å; A477-C481 PolarHBondContact O-N 2.85Å
478L94.3Very high94.5Very high2 Ų243.4 Ų43.41%0.0123%0.229CC..G310 helixtrans-64.9-36.9-173.4-171.970.2000112W413 F425 H436 Y456 R457 V459 D476 L480 C481 F483W413-L478 HydrophobicContact CZ2-CD1 4.2Å; W413-L478 HydrophobicContact CZ2-CD2 4.3Å; F425-L478 HydrophobicContact CD2-CD2 4.4Å; F425-L478 HydrophobicContact CE1-CD1 4.33Å; F425-L478 HydrophobicContact CE2-CD1 4.35Å; F425-L478 HydrophobicContact CE2-CD2 3.61Å; F425-L478 HydrophobicContact CE2-CG 4.1Å; F425-L478 HydrophobicContact CZ-CD1 3.71Å; F425-L478 HydrophobicContact CZ-CD2 3.81Å; F425-L478 HydrophobicContact CZ-CG 3.93Å; H436-L478 PolarHBondContact CE1-O 2.97Å; H436-L478 PolarHBondContact NE2-O 2.93Å; Y456-L478 HydrophobicContact CD2-CD2 4.19Å; Y456-L478 HydrophobicContact CG-CD2 4.24Å; R457-L478 PolarHBondContact O-N 2.9Å; V459-L478 HydrophobicContact CB-CD1 3.85Å; V459-L478 HydrophobicContact CG1-CD1 3.55Å; D476-L478 PolarHBondContact O-N 3.04Å; L478-L480 PolarHBondContact O-N 2.89Å; L478-C481 VanDerWaalsContact O-CB 3.31Å; L478-C481 WeakPolarHBondContact O-CB 3.42Å; L478-C481 PolarHBondContact O-N 3.18Å; L478-F483 HydrophobicContact CD1-CE2 4.06Å; L478-F483 HydrophobicContact CD1-CZ 3.67Å
479E92.6Very high94.3Very high91 Ų9147.5 Ų47.543%0.42526%0.257SS..G310 helixtrans-62.4-26.7-179.970-170.9173.700113.1P438 I439 P452 A477P438-E479 CarbonylContact C-O 3.51Å; P438-E479 VanDerWaalsContact CA-O 3.27Å; P438-E479 WeakPolarHBondContact CA-O 3.31Å; I439-E479 HydrophobicContact CD1-CB 4.03Å; I439-E479 HydrophobicContact CD1-CG 4.11Å; I439-E479 HydrophobicContact CG1-CB 4.48Å; I439-E479 PolarHBondContact N-O 2.98Å; P452-E479 HydrophobicContact CG-CB 4.33Å; P452-E479 WeakPolarHBondContact CG-OE2 3.32Å; A477-E479 VanDerWaalsContact C-N 3.3Å; A477-E479 PolarHBondContact O-N 3.11Å
480L93.1Very high94.1Very high63 Ų6351 Ų5133%0.3327%0.27SS..G310 helixtrans-96.8-8.4176.6-57.5175.3000112.5I439 A477 L478 V482I439-L480 HydrophobicContact CB-CD2 4.09Å; I439-L480 HydrophobicContact CG2-CD2 4.18Å; A477-L480 HydrophobicContact CB-CD1 4.35Å; A477-L480 HydrophobicContact CB-CG 4.48Å; A477-L480 PolarHBondContact O-N 3.08Å; L478-L480 PolarHBondContact O-N 2.89Å; L480-V482 PolarHBondContact O-N 3.29Å
481C94.5Very high94.1Very high1 Ų151 Ų511%0.00727%0.27CS..  trans-73.6125.8-168.6-174.10000111.5H436 V459 Q473 A477 L478 F483H436-C481 PolarHBondContact NE2-O 3.07Å; V459-C481 HydrophobicContact CG1-CB 4.09Å; V459-C481 VanDerWaalsContact CG1-SG 3.59Å; Q473-C481 PolarHBondContact NE2-SG 3.3Å; A477-C481 PolarHBondContact O-N 2.85Å; L478-C481 VanDerWaalsContact O-CB 3.31Å; L478-C481 WeakPolarHBondContact O-CB 3.42Å; L478-C481 PolarHBondContact O-N 3.18Å; C481-F483 HydrophobicContact CB-CE2 4.05Å; C481-F483 HydrophobicContact CB-CZ 4.41Å
482V93.8Very high94.1Very high48 Ų4852.9 Ų52.929%0.29128%0.278SS..  trans-99.1117.1173.4-171.80000110.3L480 D484 R490 W491L480-V482 PolarHBondContact O-N 3.29Å; V482-D484 HydrophobicContact CG1-CB 4.2Å; V482-D484 PolarHBondContact O-N 2.99Å; V482-R490 VanDerWaalsContact CG1-NH1 3.27Å; V482-W491 PolarHBondContact O-NE1 2.79Å
483F95Very high94.2Very high13 Ų1355.2 Ų55.26%0.05730%0.298CS..  trans-86.449.1-177.1-70-88.8000112.9L415 I423 F425 H436 V459 V462 L478 C481 F485 W491L415-F483 HydrophobicContact CD1-CD1 3.53Å; L415-F483 HydrophobicContact CD1-CD2 4.39Å; L415-F483 HydrophobicContact CD1-CE1 3.5Å; L415-F483 VanDerWaalsContact CD1-CE1 3.5Å; L415-F483 HydrophobicContact CD1-CE2 4.35Å; L415-F483 HydrophobicContact CD1-CG 4Å; L415-F483 HydrophobicContact CD1-CZ 3.92Å; I423-F483 HydrophobicContact CD1-CB 3.64Å; I423-F483 HydrophobicContact CD1-CG 4.3Å; I423-F483 HydrophobicContact CG1-CB 3.96Å; I423-F483 HydrophobicContact CG1-CD2 4.26Å; I423-F483 HydrophobicContact CG1-CG 4.35Å; I423-F483 HydrophobicContact CG2-CD2 4.13Å; I423-F483 HydrophobicContact CG2-CE2 4.45Å; I423-F483 HydrophobicContact CG2-CG 4.43Å; F425-F483 HydrophobicContact CE1-CE2 4.06Å; F425-F483 AromaticContact CE1-CZ 3.86Å; F425-F483 HydrophobicContact CE1-CZ 3.86Å; F425-F483 AromaticContact CZ-CE2 3.88Å; F425-F483 HydrophobicContact CZ-CE2 3.88Å; F425-F483 HydrophobicContact CZ-CZ 4.01Å; H436-F483 AromaticContact CD2-CD2 3.78Å; H436-F483 AromaticContact CD2-CE2 3.68Å; H436-F483 AromaticContact NE2-CE2 3.74Å; V459-F483 HydrophobicContact CG1-CZ 4.14Å; V462-F483 HydrophobicContact CG1-CE1 4.33Å; L478-F483 HydrophobicContact CD1-CE2 4.06Å; L478-F483 HydrophobicContact CD1-CZ 3.67Å; C481-F483 HydrophobicContact CB-CE2 4.05Å; C481-F483 HydrophobicContact CB-CZ 4.41Å; F483-F485 HydrophobicContact CB-CE1 4.17Å; F483-F485 AromaticContact CD1-CE1 3.75Å; F483-F485 HydrophobicContact CD1-CE1 3.75Å; F483-F485 AromaticContact CD1-CZ 3.89Å; F483-F485 HydrophobicContact CD1-CZ 3.89Å; F483-F485 HydrophobicContact CG-CE1 4.47Å; F483-F485 PolarHBondContact O-N 3.48Å; F483-W491 HydrophobicContact CD1-CH2 4.25Å; F483-W491 AromaticContact CD1-CZ2 3.74Å; F483-W491 HydrophobicContact CD1-CZ2 3.74Å; F483-W491 HydrophobicContact CE1-CH2 4.02Å; F483-W491 AromaticContact CE1-CZ2 3.88Å; F483-W491 HydrophobicContact CE1-CZ2 3.88Å; F483-W491 HydrophobicContact CG-CZ2 4.46Å
484D93.3Very high94.3Very high50 Ų5054.9 Ų54.927%0.26730%0.296SS..  trans-93.889.4173.3177.310.9000110.2V482 Q486 N487 R490 W491V482-D484 HydrophobicContact CG1-CB 4.2Å; V482-D484 PolarHBondContact O-N 2.99Å; D484-Q486 PolarHBondContact O-N 3.01Å; D484-Q486 PolarHBondContact OD1-N 3.49Å; D484-N487 HydrophobicContact CB-CB 4.44Å; D484-N487 PolarHBondContact O-N 3Å; D484-N487 VanDerWaalsContact OD2-CB 3.32Å; D484-N487 WeakPolarHBondContact OD2-CB 3.44Å; D484-R490 IonicContact OD2-NH1 2.76Å; D484-W491 VanDerWaalsContact O-CD1 3.3Å
485F94.6Very high94.5Very high23 Ų2352.5 Ų52.510%0.10128%0.282CS..THydrogen-bonded Turntrans-72.1-11.5-176.5-60.1-18.7000114.1Y399 L415 R417 V462 L469 F483 N487 W491Y399-F485 HydrophobicContact CD1-CE2 4.19Å; Y399-F485 AromaticContact CD2-CE2 3.84Å; Y399-F485 HydrophobicContact CD2-CE2 3.84Å; Y399-F485 HydrophobicContact CE1-CD2 4.23Å; Y399-F485 AromaticContact CE1-CE2 3.95Å; Y399-F485 HydrophobicContact CE1-CE2 3.95Å; Y399-F485 HydrophobicContact CE2-CD2 4.1Å; Y399-F485 AromaticContact CE2-CE2 3.6Å; Y399-F485 HydrophobicContact CE2-CE2 3.6Å; Y399-F485 HydrophobicContact CG-CE2 4.13Å; Y399-F485 AromaticContact CZ-CD2 3.83Å; Y399-F485 AromaticContact CZ-CE2 3.68Å; L415-F485 HydrophobicContact CD2-CE2 4.3Å; L415-F485 HydrophobicContact CD2-CZ 4.04Å; R417-F485 HydrophobicContact CG-CE2 4.47Å; V462-F485 HydrophobicContact CB-CZ 4.49Å; V462-F485 HydrophobicContact CG2-CE1 3.88Å; V462-F485 HydrophobicContact CG2-CE2 4.16Å; V462-F485 HydrophobicContact CG2-CZ 3.59Å; L469-F485 HydrophobicContact CD1-CB 3.96Å; L469-F485 HydrophobicContact CD1-CD1 4.03Å; L469-F485 HydrophobicContact CD1-CD2 3.74Å; L469-F485 HydrophobicContact CD1-CE1 4.48Å; L469-F485 HydrophobicContact CD1-CE2 4.2Å; L469-F485 HydrophobicContact CD1-CG 3.66Å; F483-F485 HydrophobicContact CB-CE1 4.17Å; F483-F485 AromaticContact CD1-CE1 3.75Å; F483-F485 HydrophobicContact CD1-CE1 3.75Å; F483-F485 AromaticContact CD1-CZ 3.89Å; F483-F485 HydrophobicContact CD1-CZ 3.89Å; F483-F485 HydrophobicContact CG-CE1 4.47Å; F483-F485 PolarHBondContact O-N 3.48Å; F485-N487 VanDerWaalsContact C-N 3.31Å; F485-W491 AromaticContact CD1-CD1 3.81Å; F485-W491 AromaticContact CD1-CD2 3.94Å; F485-W491 HydrophobicContact CD1-CD2 3.94Å; F485-W491 AromaticContact CD1-CE2 3.88Å; F485-W491 AromaticContact CD1-CG 3.89Å; F485-W491 HydrophobicContact CD1-CG 3.89Å; F485-W491 AromaticContact CD1-NE1 3.81Å; F485-W491 AromaticContact CE1-CD2 3.98Å; F485-W491 HydrophobicContact CE1-CD2 3.98Å; F485-W491 AromaticContact CE1-CE2 3.67Å; F485-W491 HydrophobicContact CE1-CE3 4.44Å; F485-W491 HydrophobicContact CE1-CG 4.42Å; F485-W491 HydrophobicContact CE1-CH2 4.34Å; F485-W491 AromaticContact CE1-CZ2 3.87Å; F485-W491 HydrophobicContact CE1-CZ2 3.87Å; F485-W491 AromaticContact CE1-NE1 3.97Å
486Q92.4Very high94.5Very high172 Ų17254 Ų5480%0.80428%0.284SS*.THydrogen-bonded Turntrans-79-22.3175-64.2179.7-2.700111.2D484 Q488D484-Q486 PolarHBondContact O-N 3.01Å; D484-Q486 PolarHBondContact OD1-N 3.49Å; Q486-Q488 PolarHBondContact O-N 2.99Å
487N94.3Very high94.5Very high51 Ų5158 Ų5827%0.27330%0.301SS..  trans-88.1102.2-178.9-170.7-20.5000112.1D484 F485 S489 R490 W491D484-N487 HydrophobicContact CB-CB 4.44Å; D484-N487 PolarHBondContact O-N 3Å; D484-N487 VanDerWaalsContact OD2-CB 3.32Å; D484-N487 WeakPolarHBondContact OD2-CB 3.44Å; F485-N487 VanDerWaalsContact C-N 3.31Å; N487-S489 PolarHBondContact O-N 3.29Å; N487-S489 VanDerWaalsContact O-N 3.16Å; N487-S489 WeakPolarHBondContact OD1-CB 3.33Å; N487-S489 PolarHBondContact OD1-N 3.17Å; N487-S489 PolarHBondContact OD1-OG 3.05Å; N487-R490 HydrophobicContact CB-CB 4.45Å; N487-R490 HydrophobicContact CB-CG 4.36Å; N487-R490 PolarHBondContact O-N 3.11Å; N487-W491 PolarHBondContact O-N 2.88Å
488Q93.1Very high94.4Very high168 Ų16858 Ų5879%0.78530%0.301SS*.THydrogen-bonded Turntrans-63.6-20.1-179.2-62.7-175.810.600114.3Q486 R490 W491Q486-Q488 PolarHBondContact O-N 2.99Å; Q488-R490 VanDerWaalsContact C-N 3.25Å; Q488-R490 PolarHBondContact O-N 3.45Å; Q488-W491 WeakPolarHBondContact CA-O 3.4Å
489S92.8Very high94.3Very high88 Ų8858 Ų5862%0.61530%0.301SS*.THydrogen-bonded Turntrans-72.9-21.2173.673.80000112.8N487N487-S489 PolarHBondContact O-N 3.29Å; N487-S489 VanDerWaalsContact O-N 3.16Å; N487-S489 WeakPolarHBondContact OD1-CB 3.33Å; N487-S489 PolarHBondContact OD1-N 3.17Å; N487-S489 PolarHBondContact OD1-OG 3.05Å
490R94.9Very high94.2Very high83 Ų8358.2 Ų58.231%0.31330%0.301SS..THydrogen-bonded Turntrans-98.8-37.1179-65-177.3171.7162.9-7.4112C472 Q473 V482 D484 N487 Q488C472-R490 WeakPolarHBondContact CA-O 3.26Å; C472-R490 PolarHBondContact N-O 2.88Å; Q473-R490 HydrophobicContact CG-CB 3.78Å; Q473-R490 HydrophobicContact CG-CG 3.96Å; Q473-R490 PolarHBondContact N-O 2.77Å; V482-R490 VanDerWaalsContact CG1-NH1 3.27Å; D484-R490 IonicContact OD2-NH1 2.76Å; N487-R490 HydrophobicContact CB-CB 4.45Å; N487-R490 HydrophobicContact CB-CG 4.36Å; N487-R490 PolarHBondContact O-N 3.11Å; Q488-R490 VanDerWaalsContact C-N 3.25Å; Q488-R490 PolarHBondContact O-N 3.45Å
491W97.5Very high94.1Very high1 Ų157.2 Ų57.20%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-132.5115.4-177.7-65.891.2000111V459 V462 L469 A470 N471 V482 F483 D484 F485 N487 Q488 A493V459-W491 HydrophobicContact CG1-CH2 4.48Å; V459-W491 HydrophobicContact CG2-CH2 4.28Å; V462-W491 HydrophobicContact CG1-CH2 3.93Å; V462-W491 HydrophobicContact CG1-CZ3 4.03Å; V462-W491 HydrophobicContact CG2-CE3 4.28Å; V462-W491 HydrophobicContact CG2-CH2 4.39Å; V462-W491 HydrophobicContact CG2-CZ3 3.91Å; L469-W491 HydrophobicContact CB-CB 4.39Å; L469-W491 HydrophobicContact CB-CE3 3.86Å; L469-W491 HydrophobicContact CD2-CB 4Å; A470-W491 WeakPolarHBondContact O-CA 3.44Å; N471-W491 HydrophobicContact CB-CE3 4.18Å; N471-W491 HydrophobicContact CB-CH2 3.96Å; N471-W491 HydrophobicContact CB-CZ3 3.74Å; V482-W491 PolarHBondContact O-NE1 2.79Å; F483-W491 HydrophobicContact CD1-CH2 4.25Å; F483-W491 AromaticContact CD1-CZ2 3.74Å; F483-W491 HydrophobicContact CD1-CZ2 3.74Å; F483-W491 HydrophobicContact CE1-CH2 4.02Å; F483-W491 AromaticContact CE1-CZ2 3.88Å; F483-W491 HydrophobicContact CE1-CZ2 3.88Å; F483-W491 HydrophobicContact CG-CZ2 4.46Å; D484-W491 VanDerWaalsContact O-CD1 3.3Å; F485-W491 AromaticContact CD1-CD1 3.81Å; F485-W491 AromaticContact CD1-CD2 3.94Å; F485-W491 HydrophobicContact CD1-CD2 3.94Å; F485-W491 AromaticContact CD1-CE2 3.88Å; F485-W491 AromaticContact CD1-CG 3.89Å; F485-W491 HydrophobicContact CD1-CG 3.89Å; F485-W491 AromaticContact CD1-NE1 3.81Å; F485-W491 AromaticContact CE1-CD2 3.98Å; F485-W491 HydrophobicContact CE1-CD2 3.98Å; F485-W491 AromaticContact CE1-CE2 3.67Å; F485-W491 HydrophobicContact CE1-CE3 4.44Å; F485-W491 HydrophobicContact CE1-CG 4.42Å; F485-W491 HydrophobicContact CE1-CH2 4.34Å; F485-W491 AromaticContact CE1-CZ2 3.87Å; F485-W491 HydrophobicContact CE1-CZ2 3.87Å; F485-W491 AromaticContact CE1-NE1 3.97Å; N487-W491 PolarHBondContact O-N 2.88Å; Q488-W491 WeakPolarHBondContact CA-O 3.4Å; W491-A493 PolarHBondContact O-N 2.93Å
492K97.3Very high93.8Very high39 Ų3957.3 Ų57.317%0.1730%0.299CS..EExtended strand (participates in β ladder)trans-82.7117.6171.5-179.4179.7174.573.10108.6W293 E296 F297 I300 L469 A470 C472W293-K492 HydrophobicContact CZ2-CB 4.41Å; W293-K492 HydrophobicContact CZ2-CD 4.24Å; W293-K492 HydrophobicContact CZ2-CG 4Å; W293-K492 WeakPolarHBondContact CZ2-O 3.27Å; W293-K492 WeakPolarHBondContact O-CE 3.45Å; E296-K492 IonicContact OE2-NZ 2.8Å; E296-K492 PolarHBondContact OE2-NZ 2.85Å; F297-K492 HydrophobicContact CB-CD 4.03Å; F297-K492 HydrophobicContact CD2-CD 4.23Å; I300-K492 HydrophobicContact CD1-CD 4.07Å; L469-K492 WeakPolarHBondContact CA-O 3.41Å; A470-K492 PolarHBondContact N-O 2.9Å; A470-K492 PolarHBondContact O-N 2.84Å; C472-K492 WeakPolarHBondContact SG-CB 3.3Å
493A97.4Very high93.4Very high54 Ų5455.2 Ų55.245%0.44629%0.287SS..EExtended strand (participates in β ladder)trans-86.8149175.700000111.5W293 L468 L469 W491W293-A493 PolarHBondContact NE1-O 2.87Å; L468-A493 CarbonylContact O-C 3.6Å; L468-A493 WeakPolarHBondContact O-CA 3.35Å; L469-A493 HydrophobicContact CD2-CB 3.57Å; W491-A493 PolarHBondContact O-N 2.93Å
494M97.1Very high92.6Very high10 Ų1056.3 Ų56.35%0.04930%0.298CS..PPolyproline II helixtrans-78158.1156.1-73.6-170.6172.700110.7F286 Y289 A290 W293 I311 L468 E496 L499F286-M494 HydrophobicContact CZ-SD 4.29Å; Y289-M494 HydrophobicContact CE1-CB 4.25Å; Y289-M494 HydrophobicContact CE1-CG 4.23Å; Y289-M494 HydrophobicContact CE1-SD 4.37Å; Y289-M494 WeakPolarHBondContact OH-CA 3.5Å; A290-M494 HydrophobicContact CB-CE 4.49Å; W293-M494 HydrophobicContact CD2-CE 3.59Å; W293-M494 HydrophobicContact CD2-CG 3.83Å; W293-M494 HydrophobicContact CE3-CE 3.35Å; W293-M494 HydrophobicContact CE3-CG 4.46Å; W293-M494 HydrophobicContact CG-CE 4.14Å; W293-M494 HydrophobicContact CG-CG 4.06Å; W293-M494 HydrophobicContact CH2-CE 4.16Å; W293-M494 HydrophobicContact CH2-CG 4.49Å; W293-M494 HydrophobicContact CZ2-CE 4.39Å; W293-M494 HydrophobicContact CZ2-CG 3.9Å; W293-M494 HydrophobicContact CZ3-CE 3.67Å; I311-M494 HydrophobicContact CB-CE 4.37Å; I311-M494 HydrophobicContact CD1-CE 3.66Å; I311-M494 HydrophobicContact CG1-CE 3.75Å; I311-M494 HydrophobicContact CG2-CE 3.71Å; L468-M494 HydrophobicContact CB-CB 4.44Å; L468-M494 HydrophobicContact CB-CG 4.41Å; L468-M494 HydrophobicContact CB-SD 4.28Å; L468-M494 HydrophobicContact CD1-SD 4.16Å; L468-M494 HydrophobicContact CD2-CE 4.16Å; L468-M494 HydrophobicContact CD2-CG 4.13Å; L468-M494 HydrophobicContact CD2-SD 4.08Å; L468-M494 HydrophobicContact CG-SD 4.41Å; L468-M494 PolarHBondContact O-N 3Å; M494-E496 PolarHBondContact O-N 3.1Å; M494-L499 HydrophobicContact CB-CD1 4.04Å; M494-L499 HydrophobicContact CB-CG 4.25Å; M494-L499 HydrophobicContact SD-CD2 4.21Å
495S95.8Very high91.3Very high39 Ų3958.6 Ų58.627%0.27332%0.316SS..PPolyproline II helixtrans-64128.7171.61560000109.5Y289 E497 A498 L499Y289-S495 PolarHBondContact OH-N 3.5Å; S495-E497 VanDerWaalsContact C-N 3.25Å; S495-E497 PolarHBondContact O-N 2.9Å; S495-E497 PolarHBondContact OG-N 2.77Å; S495-E497 PolarHBondContact OG-OE2 3.5Å; S495-A498 PolarHBondContact O-N 2.89Å; S495-A498 PolarHBondContact OG-N 3.07Å; S495-A498 VanDerWaalsContact OG-N 3.12Å; S495-L499 PolarHBondContact O-N 3.19Å
496E93.4Very high89.8Confident76 Ų7659.4 Ų59.436%0.35533%0.33SS..Hα-helixtrans-63.5-34.9175.3-68.1-170.1-167.400111.5T467 M494 L499 K500T467-E496 HydrophobicContact CG2-CG 4.41Å; M494-E496 PolarHBondContact O-N 3.1Å; E496-L499 PolarHBondContact O-N 3.34Å; E496-K500 VanDerWaalsContact O-CB 3.24Å; E496-K500 WeakPolarHBondContact O-CB 3.39Å; E496-K500 WeakPolarHBondContact O-CD 3.39Å; E496-K500 WeakPolarHBondContact O-CG 3.4Å; E496-K500 PolarHBondContact O-N 3.33Å; E496-K500 IonicContact OE2-NZ 2.79Å; E496-K500 PolarHBondContact OE2-NZ 3.5Å
497E92.8Very high88.4Confident129 Ų12951.7 Ų51.760%0.60330%0.295SS*.Hα-helixtrans-64.9-43.9177.7-58.968.6-14600110.6S495 K500 S501S495-E497 VanDerWaalsContact C-N 3.25Å; S495-E497 PolarHBondContact O-N 2.9Å; S495-E497 PolarHBondContact OG-N 2.77Å; S495-E497 PolarHBondContact OG-OE2 3.5Å; E497-K500 PolarHBondContact O-N 3.4Å; E497-S501 WeakPolarHBondContact O-CB 3.43Å; E497-S501 PolarHBondContact O-N 3.47Å
498A93.1Very high86.8Confident18 Ų1849.5 Ų49.515%0.14928%0.284CS..Hα-helixtrans-60.8-46.2174.900000110.9F286 Y289 S495 S501F286-A498 HydrophobicContact CD2-CB 4.22Å; F286-A498 WeakPolarHBondContact CD2-O 3.17Å; F286-A498 HydrophobicContact CE2-CB 4.33Å; Y289-A498 HydrophobicContact CD1-CB 3.76Å; Y289-A498 HydrophobicContact CE1-CB 3.71Å; Y289-A498 HydrophobicContact CG-CB 4.27Å; S495-A498 PolarHBondContact O-N 2.89Å; S495-A498 PolarHBondContact OG-N 3.07Å; S495-A498 VanDerWaalsContact OG-N 3.12Å; A498-S501 WeakPolarHBondContact O-CB 3.48Å; A498-S501 PolarHBondContact O-N 2.99Å; A498-S501 PolarHBondContact O-OG 3.11Å
499L92.8Very high85.1Confident1 Ų143.7 Ų43.71%0.00526%0.256CS..Hα-helixtrans-64.2-47.8176.7-71.9171.4000112.3F286 C324 Q466 L468 M494 S495 E496 S501 V502 C503F286-L499 HydrophobicContact CE2-CD2 3.89Å; F286-L499 HydrophobicContact CE2-CG 4.47Å; F286-L499 HydrophobicContact CZ-CD2 3.81Å; C324-L499 HydrophobicContact CB-CD2 4.35Å; Q466-L499 WeakPolarHBondContact O-CD1 3.34Å; L468-L499 HydrophobicContact CB-CD1 4.11Å; M494-L499 HydrophobicContact CB-CD1 4.04Å; M494-L499 HydrophobicContact CB-CG 4.25Å; M494-L499 HydrophobicContact SD-CD2 4.21Å; S495-L499 PolarHBondContact O-N 3.19Å; E496-L499 PolarHBondContact O-N 3.34Å; L499-S501 PolarHBondContact O-N 2.99Å; L499-V502 WeakPolarHBondContact O-CG2 3.46Å; L499-V502 PolarHBondContact O-N 3.17Å; L499-V502 VanDerWaalsContact O-N 3.16Å; L499-C503 VanDerWaalsContact O-CB 3.28Å; L499-C503 WeakPolarHBondContact O-CB 3.46Å; L499-C503 PolarHBondContact O-N 2.66Å; L499-C503 PolarHBondContact O-SG 2.94Å
500K90.4Very high83.3Confident96 Ų9640.7 Ų40.742%0.41724%0.235SC..Hα-helixtrans-58.2-34.7178-75.5166-169.9160.80111.5E496 E497 V502 A504E496-K500 VanDerWaalsContact O-CB 3.24Å; E496-K500 WeakPolarHBondContact O-CB 3.39Å; E496-K500 WeakPolarHBondContact O-CD 3.39Å; E496-K500 WeakPolarHBondContact O-CG 3.4Å; E496-K500 PolarHBondContact O-N 3.33Å; E496-K500 IonicContact OE2-NZ 2.79Å; E496-K500 PolarHBondContact OE2-NZ 3.5Å; E497-K500 PolarHBondContact O-N 3.4Å; K500-V502 PolarHBondContact O-N 3.42Å; K500-A504 WeakPolarHBondContact O-CB 3.21Å; K500-A504 PolarHBondContact O-N 2.94Å
501S89.1Confident81.7Confident42 Ų4237.8 Ų37.829%0.29423%0.226SC..Hα-helixtrans-59.7-29.9179.780.60000113.8E497 A498 L499 S507E497-S501 WeakPolarHBondContact O-CB 3.43Å; E497-S501 PolarHBondContact O-N 3.47Å; A498-S501 WeakPolarHBondContact O-CB 3.48Å; A498-S501 PolarHBondContact O-N 2.99Å; A498-S501 PolarHBondContact O-OG 3.11Å; L499-S501 PolarHBondContact O-N 2.99Å; S501-S507 WeakPolarHBondContact O-CB 3.47Å
502V88.6Confident80Confident3 Ų338.5 Ų38.52%0.01823%0.231CC..Hα-helixtrans-114.9-23.4-177.7-68.60000113.9K282 F286 P322 L499 K500 S507K282-V502 HydrophobicContact CB-CG1 4.3Å; F286-V502 HydrophobicContact CB-CG1 3.66Å; F286-V502 HydrophobicContact CB-CG2 4.27Å; F286-V502 HydrophobicContact CD1-CG2 3.96Å; F286-V502 HydrophobicContact CD2-CG2 3.72Å; F286-V502 HydrophobicContact CE1-CG2 4.24Å; F286-V502 HydrophobicContact CE2-CG2 4.02Å; F286-V502 HydrophobicContact CG-CG1 4.03Å; F286-V502 HydrophobicContact CG-CG2 3.69Å; F286-V502 HydrophobicContact CZ-CG2 4.27Å; P322-V502 HydrophobicContact CG-CB 4.39Å; P322-V502 HydrophobicContact CG-CG2 3.84Å; L499-V502 WeakPolarHBondContact O-CG2 3.46Å; L499-V502 PolarHBondContact O-N 3.17Å; L499-V502 VanDerWaalsContact O-N 3.16Å; K500-V502 PolarHBondContact O-N 3.42Å; V502-S507 PolarHBondContact O-OG 2.7Å
503C86.9Confident78.7Confident3 Ų338.2 Ų38.22%0.0223%0.233CC..Hα-helixtrans-104.2-11.6-175.6-56.80000114.7C324 R328 L499C324-C503 HydrophobicContact CB-CB 4.44Å; R328-C503 PolarHBondContact NH1-O 3.39Å; R328-C503 PolarHBondContact NH2-O 2.96Å; L499-C503 VanDerWaalsContact O-CB 3.28Å; L499-C503 WeakPolarHBondContact O-CB 3.46Å; L499-C503 PolarHBondContact O-N 2.66Å; L499-C503 PolarHBondContact O-SG 2.94Å
504A76.6Confident77.8Confident37 Ų3737.1 Ų37.131%0.30622%0.219SC..SBendtrans-63.5155.8-179.500000112.7R328 K500 G506 S507R328-A504 PolarHBondContact NH2-O 3.3Å; K500-A504 WeakPolarHBondContact O-CB 3.21Å; K500-A504 PolarHBondContact O-N 2.94Å; A504-G506 PolarHBondContact O-N 2.83Å; A504-S507 PolarHBondContact N-OG 3.09Å; A504-S507 VanDerWaalsContact O-CB 3.26Å; A504-S507 WeakPolarHBondContact O-CB 3.39Å; A504-S507 PolarHBondContact O-N 3.36Å; A504-S507 VanDerWaalsContact O-N 3.09Å; A504-S507 PolarHBondContact O-OG 3.4Å
505P67.3Low77.4Confident98 Ų9836.9 Ų36.964%0.63622%0.218SC*.THydrogen-bonded Turntrans-58.3131.8172.2-21.132.9000110R328 S507R328-P505 VanDerWaalsContact NH1-N 3.14Å; P505-S507 PolarHBondContact O-N 2.95Å
506G62.9Low77.1Confident39 Ų3936.4 Ų36.440%0.40222%0.215SC..THydrogen-bonded Turntrans69.98.4-176.200000115.4A504 T508A504-G506 PolarHBondContact O-N 2.83Å; G506-T508 VanDerWaalsContact C-N 3.32Å
507S62.6Low77.1Confident10 Ų1033.6 Ų33.67%0.0720%0.202CC..SBendtrans-66-35.7175.157.90000112.6S501 V502 A504 P505S501-S507 WeakPolarHBondContact O-CB 3.47Å; V502-S507 PolarHBondContact O-OG 2.7Å; A504-S507 PolarHBondContact N-OG 3.09Å; A504-S507 VanDerWaalsContact O-CB 3.26Å; A504-S507 WeakPolarHBondContact O-CB 3.39Å; A504-S507 PolarHBondContact O-N 3.36Å; A504-S507 VanDerWaalsContact O-N 3.09Å; A504-S507 PolarHBondContact O-OG 3.4Å; P505-S507 PolarHBondContact O-N 2.95Å
508T61.5Low77.1Confident5 Ų529.6 Ų29.63%0.03119%0.188CC..SBendtrans-132.6141.8179.166.30000109.5T279 G506 S510 L511T279-T508 HydrophobicContact CG2-CG2 3.77Å; G506-T508 VanDerWaalsContact C-N 3.32Å; T508-S510 PolarHBondContact O-N 3.21Å; T508-S510 VanDerWaalsContact O-N 3.15Å; T508-L511 WeakPolarHBondContact OG1-CD1 3.43Å
509F56.8Low77.1Confident46 Ų4631.9 Ų31.920%0.20221%0.206CC..THydrogen-bonded Turntrans-61.5-20.7178.6-176.1-94.9000113.1C192 A194 D217C192-F509 HydrophobicContact CB-CD2 4.25Å; C192-F509 WeakPolarHBondContact O-CD2 3.35Å; C192-F509 VanDerWaalsContact O-CE2 3.26Å; C192-F509 WeakPolarHBondContact O-CE2 3.5Å; A194-F509 HydrophobicContact CB-CE1 4.19Å; A194-F509 HydrophobicContact CB-CZ 3.97Å; D217-F509 HydrophobicContact CB-CE2 4.42Å; D217-F509 HydrophobicContact CB-CZ 3.69Å
510S54.5Low77Confident25 Ų2533.3 Ų33.318%0.17522%0.216CC..THydrogen-bonded Turntrans-96.5-0.6-169.361.20000114.7R321 T508R321-S510 PolarHBondContact NH1-O 2.85Å; R321-S510 PolarHBondContact NH1-OG 3.14Å; R321-S510 PolarHBondContact NH2-O 2.63Å; T508-S510 PolarHBondContact O-N 3.21Å; T508-S510 VanDerWaalsContact O-N 3.15Å
511L62.3Low77.1Confident22 Ų2232.2 Ų32.212%0.11522%0.221CC..  trans-115.393.5176.8-94139.8000108.7S325 T508S325-L511 WeakPolarHBondContact O-CD2 3.46Å; T508-L511 WeakPolarHBondContact OG1-CD1 3.43Å
512P61.4Low77.2Confident17 Ų1731.8 Ų31.811%0.1122%0.215CC..PPolyproline II helixtrans-60.3159.5174.432.7-40.8000109.4H196 F215H196-P512 HydrophobicContact CB-CG 4.47Å; F215-P512 HydrophobicContact CD1-CG 4.47Å; F215-P512 HydrophobicContact CE1-CB 4.33Å; F215-P512 HydrophobicContact CE1-CG 3.59Å; F215-P512 HydrophobicContact CZ-CG 4.32Å
513P69.5Low77.6Confident32 Ų3235.5 Ų35.521%0.20824%0.235CC..PPolyproline II helixtrans-50.7159.5166.7-26.236.2000111.6H144 P515H144-P513 PolarHBondContact CE1-O 3.06Å; P513-P515 WeakPolarHBondContact O-CD 3Å
514L78.8Confident78Confident32 Ų3237.7 Ų37.717%0.16825%0.249CC..PPolyproline II helixtrans-61.9128.8174.1-82169.1000109.5R328 L330 L369R328-L514 HydrophobicContact CB-CD1 3.19Å; R328-L514 HydrophobicContact CB-CD2 4.28Å; R328-L514 HydrophobicContact CB-CG 3.68Å; R328-L514 HydrophobicContact CG-CD1 4.31Å; R328-L514 HydrophobicContact CG-CG 4.34Å; L330-L514 HydrophobicContact CB-CD1 3.91Å; L330-L514 HydrophobicContact CD1-CB 4.45Å; L330-L514 HydrophobicContact CD1-CD1 4.26Å; L369-L514 HydrophobicContact CB-CD2 4.15Å; L369-L514 HydrophobicContact CD2-CD2 3.33Å; L369-L514 HydrophobicContact CG-CD2 4.35Å
515P88Confident79Confident4 Ų438.5 Ų38.53%0.02626%0.256CS..PPolyproline II helixtrans-60.5135.6170.825-34.6000110.5R149 L369 M370 L373 P513R149-P515 HydrophobicContact CG-CB 4.28Å; L369-P515 HydrophobicContact CB-CG 4.16Å; L369-P515 HydrophobicContact CD2-CG 4.02Å; L369-P515 HydrophobicContact CG-CG 3.9Å; M370-P515 HydrophobicContact CB-CB 4.41Å; M370-P515 HydrophobicContact CB-CG 3.93Å; M370-P515 HydrophobicContact SD-CB 3.85Å; M370-P515 HydrophobicContact SD-CG 4.27Å; L373-P515 HydrophobicContact CD1-CG 4.14Å; P513-P515 WeakPolarHBondContact O-CD 3Å
516P90.3Very high80.4Confident30 Ų3040.2 Ų40.220%0.19526%0.255CS..PPolyproline II helixtrans-63.2151.516827.8-35.3000110.2N147 R149N147-P516 WeakPolarHBondContact OD1-CB 3.36Å; R149-P516 WeakPolarHBondContact CD-O 3.47Å; R149-P516 HydrophobicContact CG-CG 4.17Å; R149-P516 PolarHBondContact NH1-O 3.27Å
517L93.8Very high82Confident16 Ų1639.3 Ų39.38%0.08424%0.242CC..PPolyproline II helixtrans-70.2138.7169.3-66.3-176.3000110.4L330 A332 L335 L336 F345 L373 L390 P644 E645L330-L517 HydrophobicContact CD2-CG 4.49Å; A332-L517 HydrophobicContact CB-CD1 3.88Å; L335-L517 HydrophobicContact CD1-CB 3.83Å; L335-L517 WeakPolarHBondContact CD1-O 3.49Å; L336-L517 HydrophobicContact CD1-CD1 4.04Å; F345-L517 HydrophobicContact CE1-CD1 4Å; F345-L517 HydrophobicContact CE1-CD2 4.28Å; F345-L517 HydrophobicContact CZ-CD1 4.49Å; F345-L517 HydrophobicContact CZ-CD2 4.27Å; L373-L517 HydrophobicContact CD1-CD2 3.79Å; L373-L517 HydrophobicContact CD2-CD2 4.12Å; L390-L517 HydrophobicContact CD2-CD1 4.11Å; L517-P644 HydrophobicContact CB-CB 4.17Å; L517-P644 HydrophobicContact CD1-CB 4.13Å; L517-P644 HydrophobicContact CD1-CG 4.24Å; L517-E645 VanDerWaalsContact CA-OE1 3.32Å; L517-E645 WeakPolarHBondContact CA-OE1 3.38Å; L517-E645 HydrophobicContact CD2-CG 4.3Å
518C92.9Very high83.7Confident46 Ų4639.4 Ų39.431%0.31124%0.243SC..PPolyproline II helixtrans-93.3138.7174.3-700000110.4P644 E645C518-P644 WeakPolarHBondContact O-CA 3.4Å; C518-E645 PolarHBondContact N-OE1 3.17Å; C518-E645 PolarHBondContact O-N 3.34Å
519A92.4Very high85.4Confident65 Ų6543.6 Ų43.654%0.53727%0.265SS..PPolyproline II helixtrans-60.1150.6169.100000110.6L335L335-A519 HydrophobicContact CD2-CB 3.86Å
520S91.4Very high87.3Confident31 Ų3146.8 Ų46.822%0.21728%0.28CS..PPolyproline II helixtrans-62.3138.6171.8-171.90000110.3L522 Y643 N646S520-L522 VanDerWaalsContact C-N 3.3Å; S520-L522 WeakPolarHBondContact OG-CB 3.38Å; S520-L522 PolarHBondContact OG-N 3.14Å; S520-L522 VanDerWaalsContact OG-N 3.16Å; S520-Y643 WeakPolarHBondContact CB-O 3.36Å; S520-N646 PolarHBondContact OG-OD1 3.27Å
521S90.6Very high89.4Confident74 Ų7445.7 Ų45.752%0.51727%0.273SS..  trans-87.90.6169.855.40000113.1R151 N646R151-S521 PolarHBondContact NH2-OG 3.15Å; S521-N646 PolarHBondContact N-OD1 3.45Å; S521-N646 PolarHBondContact OG-OD1 2.99Å
522L92.8Very high91.1Very high32 Ų3245.7 Ų45.717%0.16827%0.272CS..SBendtrans-92.7136.5-178.3-56.5175.1000111.2S520 P524 V527 V642 N646S520-L522 VanDerWaalsContact C-N 3.3Å; S520-L522 WeakPolarHBondContact OG-CB 3.38Å; S520-L522 PolarHBondContact OG-N 3.14Å; S520-L522 VanDerWaalsContact OG-N 3.16Å; L522-P524 WeakPolarHBondContact O-CD 3.35Å; L522-V527 HydrophobicContact CB-CG2 4.36Å; L522-V527 HydrophobicContact CD2-CG2 4.39Å; L522-V642 HydrophobicContact CB-CG1 3.97Å; L522-N646 HydrophobicContact CD1-CB 4.19Å; L522-N646 HydrophobicContact CG-CB 4.44Å
523D95.9Very high92.8Very high82 Ų8250.7 Ų50.744%0.43930%0.297SS..  trans-82.2115.4162.3-178.5-8.9000109.6A525 E526 V527D523-A525 VanDerWaalsContact C-N 3.26Å; D523-A525 PolarHBondContact O-N 2.84Å; D523-A525 PolarHBondContact OD1-N 3.08Å; D523-E526 HydrophobicContact CB-CB 3.96Å; D523-E526 PolarHBondContact O-N 2.8Å; D523-V527 WeakPolarHBondContact O-CB 3.28Å; D523-V527 VanDerWaalsContact O-CG2 3.26Å; D523-V527 WeakPolarHBondContact O-CG2 3.28Å; D523-V527 PolarHBondContact O-N 2.93Å; D523-V527 VanDerWaalsContact O-N 3.1Å
524P96.1Very high94.2Very high48 Ų4852.6 Ų52.631%0.31230%0.303SS..Hα-helixtrans-53-40.7177.4-2533.4000113.8L522 S528 V640 V642L522-P524 WeakPolarHBondContact O-CD 3.35Å; P524-S528 VanDerWaalsContact O-CB 3.24Å; P524-S528 WeakPolarHBondContact O-CB 3.49Å; P524-S528 PolarHBondContact O-N 2.77Å; P524-S528 PolarHBondContact O-OG 2.86Å; P524-V640 WeakPolarHBondContact CB-O 3.48Å; P524-V642 HydrophobicContact CB-CG1 4.28Å; P524-V642 HydrophobicContact CG-CB 4.26Å; P524-V642 HydrophobicContact CG-CG1 3.78Å; P524-V642 HydrophobicContact CG-CG2 3.56Å
525A96.4Very high95.1Very high55 Ų5551 Ų5146%0.45530%0.295SS..Hα-helixtrans-73.1-48.2-173.600000111D523 V527 S528 N529D523-A525 VanDerWaalsContact C-N 3.26Å; D523-A525 PolarHBondContact O-N 2.84Å; D523-A525 PolarHBondContact OD1-N 3.08Å; A525-V527 PolarHBondContact O-N 2.88Å; A525-S528 PolarHBondContact O-N 2.73Å; A525-N529 PolarHBondContact O-N 3.49Å; A525-N529 PolarHBondContact O-ND2 2.94Å
526E97.1Very high95.6Very high133 Ų13353.1 Ų53.162%0.62130%0.302SS*.Hα-helixtrans-59.1-49.3177.9-169.8-175.5172.100111.3D523 S528 N529 H530D523-E526 HydrophobicContact CB-CB 3.96Å; D523-E526 PolarHBondContact O-N 2.8Å; E526-S528 VanDerWaalsContact C-N 3.34Å; E526-S528 PolarHBondContact O-N 3.38Å; E526-N529 PolarHBondContact O-N 2.93Å; E526-H530 WeakPolarHBondContact O-CB 3.49Å; E526-H530 PolarHBondContact O-N 2.94Å
527V96.9Very high95.9Very high20 Ų2057.4 Ų57.412%0.12132%0.318CS..Hα-helixtrans-66.5-36.5-178.9179.20000111.6L522 D523 A525 L531 R606 V640L522-V527 HydrophobicContact CB-CG2 4.36Å; L522-V527 HydrophobicContact CD2-CG2 4.39Å; D523-V527 WeakPolarHBondContact O-CB 3.28Å; D523-V527 VanDerWaalsContact O-CG2 3.26Å; D523-V527 WeakPolarHBondContact O-CG2 3.28Å; D523-V527 PolarHBondContact O-N 2.93Å; D523-V527 VanDerWaalsContact O-N 3.1Å; A525-V527 PolarHBondContact O-N 2.88Å; V527-L531 WeakPolarHBondContact O-CB 3.32Å; V527-L531 PolarHBondContact O-N 3.36Å; V527-L531 VanDerWaalsContact O-N 3.08Å; V527-R606 HydrophobicContact CG1-CG 4.43Å; V527-V640 HydrophobicContact CG1-CB 4.49Å; V527-V640 HydrophobicContact CG1-CG1 4.3Å; V527-V640 HydrophobicContact CG1-CG2 4.11Å
528S98.1Very high96.1Very high12 Ų1258.1 Ų58.18%0.08432%0.322CS..Hα-helixtrans-62.3-48.1174.6-61.80000111.7P524 A525 E526 H530 L531 E532 V640P524-S528 VanDerWaalsContact O-CB 3.24Å; P524-S528 WeakPolarHBondContact O-CB 3.49Å; P524-S528 PolarHBondContact O-N 2.77Å; P524-S528 PolarHBondContact O-OG 2.86Å; A525-S528 PolarHBondContact O-N 2.73Å; E526-S528 VanDerWaalsContact C-N 3.34Å; E526-S528 PolarHBondContact O-N 3.38Å; S528-H530 PolarHBondContact O-N 2.86Å; S528-L531 PolarHBondContact O-N 3.41Å; S528-E532 WeakPolarHBondContact O-CB 3.49Å; S528-E532 PolarHBondContact O-N 3.05Å; S528-V640 WeakPolarHBondContact OG-CB 3.15Å; S528-V640 PolarHBondContact OG-N 3.23Å
529N97.7Very high96.3Very high93 Ų9356 Ų5650%0.49731%0.307SS..Hα-helixtrans-64-42.3-179.1-68.8-21.9000111.7A525 E526 E532 L533A525-N529 PolarHBondContact O-N 3.49Å; A525-N529 PolarHBondContact O-ND2 2.94Å; E526-N529 PolarHBondContact O-N 2.93Å; N529-E532 PolarHBondContact O-N 2.86Å; N529-L533 PolarHBondContact O-N 2.91Å
530H97.5Very high96.6Very high113 Ų11354.5 Ų54.552%0.52329%0.293SS..Hα-helixtrans-61.3-49.5177.5-177.569000111.5E526 S528 E532 L533 E534E526-H530 WeakPolarHBondContact O-CB 3.49Å; E526-H530 PolarHBondContact O-N 2.94Å; S528-H530 PolarHBondContact O-N 2.86Å; H530-E532 VanDerWaalsContact C-N 3.33Å; H530-E532 PolarHBondContact O-N 3.36Å; H530-L533 PolarHBondContact O-N 3.11Å; H530-E534 IonicContact CE1-OE1 3.58Å; H530-E534 IonicContact NE2-OE1 2.91Å; H530-E534 PolarHBondContact NE2-OE1 2.72Å; H530-E534 PolarHBondContact O-N 2.73Å
531L97.3Very high96.9Very high3 Ų356.5 Ų56.52%0.01630%0.299CS..Hα-helixtrans-66.6-33.8-179.5-172.552.5000112.5V527 S528 M535 R606 A608 V638 V640 V650 M652V527-L531 WeakPolarHBondContact O-CB 3.32Å; V527-L531 PolarHBondContact O-N 3.36Å; V527-L531 VanDerWaalsContact O-N 3.08Å; S528-L531 PolarHBondContact O-N 3.41Å; L531-M535 HydrophobicContact CD1-CE 4.43Å; L531-M535 WeakPolarHBondContact O-CB 3.41Å; L531-M535 VanDerWaalsContact O-CG 3.25Å; L531-M535 WeakPolarHBondContact O-CG 3.38Å; L531-M535 PolarHBondContact O-N 3.49Å; L531-R606 WeakPolarHBondContact CD1-O 3.41Å; L531-A608 HydrophobicContact CD1-CB 3.48Å; L531-A608 VanDerWaalsContact CD1-CB 3.48Å; L531-V638 HydrophobicContact CB-CG1 4.13Å; L531-V638 HydrophobicContact CD2-CG1 3.91Å; L531-V638 HydrophobicContact CG-CG1 3.98Å; L531-V640 HydrophobicContact CD2-CG2 4.39Å; L531-V650 HydrophobicContact CD2-CG1 3.55Å; L531-M652 HydrophobicContact CD1-CE 4.24Å; L531-M652 HydrophobicContact CD2-CE 3.59Å; L531-M652 HydrophobicContact CG-CE 3.92Å
532E98.1Very high97.2Very high22 Ų2255.4 Ų55.410%0.10329%0.285CS..Hα-helixtrans-63.5-43.2172.5-173.9170126.800112.2S528 N529 H530 M535 R536 R637 V638S528-E532 WeakPolarHBondContact O-CB 3.49Å; S528-E532 PolarHBondContact O-N 3.05Å; N529-E532 PolarHBondContact O-N 2.86Å; H530-E532 VanDerWaalsContact C-N 3.33Å; H530-E532 PolarHBondContact O-N 3.36Å; E532-M535 PolarHBondContact O-N 3.06Å; E532-R536 WeakPolarHBondContact O-CG 3.36Å; E532-R536 PolarHBondContact O-N 2.83Å; E532-R637 IonicContact OE1-NH1 3.37Å; E532-R637 PolarHBondContact OE1-NH1 3.06Å; E532-R637 VanDerWaalsContact OE2-CD 3.26Å; E532-R637 WeakPolarHBondContact OE2-CD 3.38Å; E532-R637 IonicContact OE2-CZ 2.73Å; E532-R637 IonicContact OE2-NE 3.48Å; E532-R637 IonicContact OE2-NH1 2.69Å; E532-R637 PolarHBondContact OE2-NH1 3.29Å; E532-V638 HydrophobicContact CB-CB 4.05Å; E532-V638 HydrophobicContact CB-CG2 3.97Å; E532-V638 HydrophobicContact CG-CG2 4.44Å; E532-V638 PolarHBondContact OE2-N 2.86Å; E532-V638 VanDerWaalsContact OE2-N 3.08Å
533L97.8Very high97.3Very high121 Ų12154.1 Ų54.163%0.63428%0.278SS*.Hα-helixtrans-65.1-43.4177.9-172.1128.8000111.6N529 H530 M535 R536 F537N529-L533 PolarHBondContact O-N 2.91Å; H530-L533 PolarHBondContact O-N 3.11Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 3.44Å; L533-R536 PolarHBondContact O-N 3.24Å; L533-F537 PolarHBondContact O-N 3.3Å
534E97.8Very high97.4Very high72 Ų7256.5 Ų56.534%0.33629%0.285SS..Hα-helixtrans-60.7-41.9173.6-69.1-164.5147.800111.8H530 F537 L538 A608H530-E534 IonicContact CE1-OE1 3.58Å; H530-E534 IonicContact NE2-OE1 2.91Å; H530-E534 PolarHBondContact NE2-OE1 2.72Å; H530-E534 PolarHBondContact O-N 2.73Å; E534-F537 WeakPolarHBondContact O-CB 3.38Å; E534-F537 PolarHBondContact O-N 2.78Å; E534-L538 VanDerWaalsContact O-CG 3.31Å; E534-L538 WeakPolarHBondContact O-CG 3.34Å; E534-L538 PolarHBondContact O-N 3.47Å; E534-A608 HydrophobicContact CB-CB 3.81Å; E534-A608 WeakPolarHBondContact OE2-CB 3.36Å
535M97.7Very high97.4Very high0 Ų060.1 Ų60.10%030%0.301CS..Hα-helixtrans-63.4-42.8176.2-77.3-69.716200112.6L531 E532 L533 F537 L538 V539 A608 A611 F612 V636 V638 M652 F654L531-M535 HydrophobicContact CD1-CE 4.43Å; L531-M535 WeakPolarHBondContact O-CB 3.41Å; L531-M535 VanDerWaalsContact O-CG 3.25Å; L531-M535 WeakPolarHBondContact O-CG 3.38Å; L531-M535 PolarHBondContact O-N 3.49Å; E532-M535 PolarHBondContact O-N 3.06Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 3.44Å; M535-F537 VanDerWaalsContact C-N 3.29Å; M535-F537 PolarHBondContact O-N 3.28Å; M535-L538 PolarHBondContact O-N 3.49Å; M535-V539 WeakPolarHBondContact O-CB 3.12Å; M535-V539 VanDerWaalsContact O-CG2 3.32Å; M535-V539 WeakPolarHBondContact O-CG2 3.38Å; M535-V539 PolarHBondContact O-N 2.98Å; M535-A608 HydrophobicContact CE-CB 3.92Å; M535-A608 WeakPolarHBondContact CE-O 3.37Å; M535-A611 HydrophobicContact CE-CB 3.58Å; M535-F612 HydrophobicContact CE-CB 4.19Å; M535-F612 HydrophobicContact SD-CB 4.03Å; M535-F612 HydrophobicContact SD-CD2 4.32Å; M535-V636 HydrophobicContact CB-CG1 3.95Å; M535-V638 HydrophobicContact CG-CG2 4.38Å; M535-M652 HydrophobicContact CE-CE 3.74Å; M535-M652 HydrophobicContact CE-SD 3.62Å; M535-M652 HydrophobicContact CG-SD 4.37Å; M535-M652 HydrophobicContact SD-SD 4.22Å; M535-F654 HydrophobicContact SD-CE1 4.47Å; M535-F654 HydrophobicContact SD-CZ 3.88Å
536R98Very high97.3Very high48 Ų4860.7 Ų60.718%0.18130%0.297CS..Hα-helixtrans-62-39.7175.6-71.6174.674.9124.5-16111.3E532 L533 S540 W552 D554 V636E532-R536 WeakPolarHBondContact O-CG 3.36Å; E532-R536 PolarHBondContact O-N 2.83Å; L533-R536 PolarHBondContact O-N 3.24Å; R536-S540 WeakPolarHBondContact O-CB 3.23Å; R536-S540 PolarHBondContact O-N 3.11Å; R536-S540 PolarHBondContact O-OG 3.13Å; R536-W552 VanDerWaalsContact CA-CZ2 3.5Å; R536-W552 HydrophobicContact CB-CH2 4.07Å; R536-W552 HydrophobicContact CB-CZ2 3.65Å; R536-W552 HydrophobicContact CG-CD2 4.22Å; R536-W552 HydrophobicContact CG-CE3 4.19Å; R536-W552 HydrophobicContact CG-CH2 3.76Å; R536-W552 HydrophobicContact CG-CZ2 3.77Å; R536-W552 HydrophobicContact CG-CZ3 3.97Å; R536-W552 VanDerWaalsContact CZ-CG 3.43Å; R536-W552 WeakPolarHBondContact O-CZ2 3.47Å; R536-D554 IonicContact CZ-OD1 3.51Å; R536-D554 VanDerWaalsContact CZ-OD1 3.27Å; R536-D554 IonicContact NH1-OD1 3.56Å; R536-D554 PolarHBondContact NH1-OD1 2.87Å; R536-D554 IonicContact NH2-OD1 3.37Å; R536-D554 PolarHBondContact NH2-OD1 2.82Å; R536-V636 HydrophobicContact CG-CB 4.47Å
537F97.9Very high97.2Very high120 Ų12061.8 Ų61.853%0.52631%0.307SS..Hα-helixtrans-61.4-51.6174177.4-97.6000111.4L533 E534 M535 V539 S540 E541L533-F537 PolarHBondContact O-N 3.3Å; E534-F537 WeakPolarHBondContact O-CB 3.38Å; E534-F537 PolarHBondContact O-N 2.78Å; M535-F537 VanDerWaalsContact C-N 3.29Å; M535-F537 PolarHBondContact O-N 3.28Å; F537-V539 PolarHBondContact O-N 3.13Å; F537-S540 PolarHBondContact O-N 2.7Å; F537-S540 VanDerWaalsContact O-N 3.12Å; F537-E541 HydrophobicContact CD1-CG 4.39Å; F537-E541 HydrophobicContact CD2-CG 4.43Å; F537-E541 HydrophobicContact CE1-CG 3.9Å; F537-E541 HydrophobicContact CE2-CG 3.94Å; F537-E541 HydrophobicContact CZ-CG 3.65Å; F537-E541 PolarHBondContact O-N 2.85Å
538L98Very high97.1Very high30 Ų3062 Ų6216%0.15731%0.307CS..Hα-helixtrans-60.2-42.2-179.7-69.4171.5000113E534 M535 H542 A608 R609 F612E534-L538 VanDerWaalsContact O-CG 3.31Å; E534-L538 WeakPolarHBondContact O-CG 3.34Å; E534-L538 PolarHBondContact O-N 3.47Å; M535-L538 PolarHBondContact O-N 3.49Å; L538-H542 WeakPolarHBondContact O-CB 3.45Å; L538-H542 PolarHBondContact O-N 3.42Å; L538-A608 HydrophobicContact CD1-CB 4.03Å; L538-R609 HydrophobicContact CD1-CG 4.27Å; L538-R609 HydrophobicContact CD2-CG 4.25Å; L538-F612 HydrophobicContact CB-CD1 3.78Å; L538-F612 HydrophobicContact CB-CD2 4.44Å; L538-F612 HydrophobicContact CB-CE1 4.05Å; L538-F612 HydrophobicContact CB-CG 3.99Å; L538-F612 HydrophobicContact CD1-CB 3.82Å; L538-F612 HydrophobicContact CD1-CD1 4.35Å; L538-F612 HydrophobicContact CD1-CG 4.21Å; L538-F612 HydrophobicContact CG-CD1 4.49Å
539V97.8Very high96.8Very high2 Ų265.3 Ų65.31%0.01234%0.335CS..Hα-helixtrans-63.3-43174.6168.60000111.2M535 F537 H542 R543 W552 F612 V625 L634 F654M535-V539 WeakPolarHBondContact O-CB 3.12Å; M535-V539 VanDerWaalsContact O-CG2 3.32Å; M535-V539 WeakPolarHBondContact O-CG2 3.38Å; M535-V539 PolarHBondContact O-N 2.98Å; F537-V539 PolarHBondContact O-N 3.13Å; V539-H542 PolarHBondContact O-N 3.49Å; V539-R543 WeakPolarHBondContact O-CB 3.25Å; V539-R543 WeakPolarHBondContact O-CG 3.4Å; V539-R543 PolarHBondContact O-N 2.95Å; V539-W552 HydrophobicContact CB-CH2 3.86Å; V539-W552 HydrophobicContact CB-CZ2 4.05Å; V539-W552 HydrophobicContact CG1-CH2 3.67Å; V539-W552 HydrophobicContact CG1-CZ2 3.93Å; V539-W552 HydrophobicContact CG2-CH2 4.36Å; V539-F612 HydrophobicContact CG2-CD2 4.29Å; V539-F612 HydrophobicContact CG2-CE2 3.57Å; V539-F612 HydrophobicContact CG2-CZ 4.2Å; V539-V625 HydrophobicContact CG1-CG1 4.31Å; V539-L634 HydrophobicContact CG1-CD1 4.37Å; V539-F654 HydrophobicContact CG2-CD1 4.2Å; V539-F654 HydrophobicContact CG2-CE1 3.77Å
540S97.4Very high96.7Very high33 Ų3362.9 Ų62.923%0.23132%0.323CS..Hα-helixtrans-65.3-43.5-178.4-57.30000111.6R536 F537 R543 K544 W552R536-S540 WeakPolarHBondContact O-CB 3.23Å; R536-S540 PolarHBondContact O-N 3.11Å; R536-S540 PolarHBondContact O-OG 3.13Å; F537-S540 PolarHBondContact O-N 2.7Å; F537-S540 VanDerWaalsContact O-N 3.12Å; S540-R543 PolarHBondContact O-N 3.16Å; S540-K544 WeakPolarHBondContact O-CB 3.37Å; S540-K544 PolarHBondContact O-N 3.47Å; S540-W552 PolarHBondContact OG-NE1 2.79Å
541E97.2Very high96.7Very high74 Ų7460.2 Ų60.235%0.34632%0.315SS..Hα-helixtrans-64.8-47.4176.3-72.2-69.696.600111.3F537 R543 K544 D545F537-E541 HydrophobicContact CD1-CG 4.39Å; F537-E541 HydrophobicContact CD2-CG 4.43Å; F537-E541 HydrophobicContact CE1-CG 3.9Å; F537-E541 HydrophobicContact CE2-CG 3.94Å; F537-E541 HydrophobicContact CZ-CG 3.65Å; F537-E541 PolarHBondContact O-N 2.85Å; E541-R543 VanDerWaalsContact C-N 3.29Å; E541-R543 PolarHBondContact O-N 3.25Å; E541-K544 WeakPolarHBondContact O-CB 3.39Å; E541-K544 PolarHBondContact O-N 2.84Å; E541-K544 VanDerWaalsContact O-N 3.11Å; E541-K544 IonicContact OE1-NZ 3.62Å; E541-D545 PolarHBondContact O-N 2.86Å
542H96.9Very high96.7Very high50 Ų5062.4 Ų62.423%0.23132%0.323CS..Hα-helixtrans-60-38.6178-176.369.7000112.8L538 V539 F612L538-H542 WeakPolarHBondContact O-CB 3.45Å; L538-H542 PolarHBondContact O-N 3.42Å; V539-H542 PolarHBondContact O-N 3.49Å; H542-F612 HydrophobicContact CB-CE1 3.97Å; H542-F612 HydrophobicContact CB-CZ 3.86Å
543R96.5Very high96.6Very high6 Ų662.4 Ų62.42%0.02332%0.324CS..Hα-helixtrans-70-37.1175.9-77.6-178.365.786.7-3.4112.6V539 S540 E541 D545 L546 D547 L548 A549 T550 V625 C627V539-R543 WeakPolarHBondContact O-CB 3.25Å; V539-R543 WeakPolarHBondContact O-CG 3.4Å; V539-R543 PolarHBondContact O-N 2.95Å; S540-R543 PolarHBondContact O-N 3.16Å; E541-R543 VanDerWaalsContact C-N 3.29Å; E541-R543 PolarHBondContact O-N 3.25Å; R543-D545 VanDerWaalsContact C-N 3.31Å; R543-L546 CarbonylContact O-C 3.58Å; R543-L546 PolarHBondContact O-N 2.79Å; R543-L546 VanDerWaalsContact O-N 3.08Å; R543-D547 PolarHBondContact O-N 3.36Å; R543-L548 HydrophobicContact CB-CB 4.09Å; R543-L548 HydrophobicContact CG-CB 4.48Å; R543-L548 WeakPolarHBondContact O-CB 3.31Å; R543-L548 PolarHBondContact O-N 3.14Å; R543-A549 PolarHBondContact NE-O 3.46Å; R543-A549 PolarHBondContact NH2-O 3.02Å; R543-T550 WeakPolarHBondContact CB-OG1 3.49Å; R543-T550 WeakPolarHBondContact CD-OG1 3.21Å; R543-T550 PolarHBondContact NE-OG1 3.45Å; R543-V625 VanDerWaalsContact CD-O 3.32Å; R543-V625 WeakPolarHBondContact CD-O 3.49Å; R543-V625 WeakPolarHBondContact CG-O 3.43Å; R543-V625 PolarHBondContact NH1-O 2.93Å; R543-C627 PolarHBondContact NH1-O 2.88Å; R543-C627 VanDerWaalsContact NH1-O 3.13Å; R543-C627 PolarHBondContact NH2-O 3.44Å
544K96.6Very high96.6Very high132 Ų13261.5 Ų61.557%0.57432%0.32SS*.Hα-helixtrans-62.3-39.5175.6-179.7-174.4171.8-165.80111.3S540 E541 L546 D547S540-K544 WeakPolarHBondContact O-CB 3.37Å; S540-K544 PolarHBondContact O-N 3.47Å; E541-K544 WeakPolarHBondContact O-CB 3.39Å; E541-K544 PolarHBondContact O-N 2.84Å; E541-K544 VanDerWaalsContact O-N 3.11Å; E541-K544 IonicContact OE1-NZ 3.62Å; K544-L546 PolarHBondContact O-N 3.21Å; K544-D547 PolarHBondContact O-N 2.97Å
545D96.3Very high96.5Very high123 Ų12363.3 Ų63.366%0.65833%0.328SS*.THydrogen-bonded Turntrans-62.7-19.9174.3-66.1-21.3000113.2E541 R543E541-D545 PolarHBondContact O-N 2.86Å; R543-D545 VanDerWaalsContact C-N 3.31Å
546L94.9Very high96.4Very high68 Ų6863.3 Ų63.336%0.35633%0.328SS..THydrogen-bonded Turntrans-102.110.5177-61.9175.7000113.2R543 K544 L548 C626R543-L546 CarbonylContact O-C 3.58Å; R543-L546 PolarHBondContact O-N 2.79Å; R543-L546 VanDerWaalsContact O-N 3.08Å; K544-L546 PolarHBondContact O-N 3.21Å; L546-L548 HydrophobicContact CB-CD1 4.12Å; L546-L548 HydrophobicContact CB-CG 3.99Å; L546-L548 HydrophobicContact CD1-CD1 4.38Å; L546-L548 PolarHBondContact O-N 3.48Å; L546-C626 HydrophobicContact CD1-CB 4.46Å; L546-C626 VanDerWaalsContact CD1-SG 3.59Å
547D95Very high96.4Very high156 Ų15661.2 Ų61.283%0.83432%0.321SS*.THydrogen-bonded Turntrans55.733.2-174.5-62.8-53.1000113.8R543 K544R543-D547 PolarHBondContact O-N 3.36Å; K544-D547 PolarHBondContact O-N 2.97Å
548L93.9Very high96.3Very high25 Ų2563 Ų6313%0.13133%0.325CS..  trans-100.8131.2178.3-59.6179.6000111.6R543 L546 R628R543-L548 HydrophobicContact CB-CB 4.09Å; R543-L548 HydrophobicContact CG-CB 4.48Å; R543-L548 WeakPolarHBondContact O-CB 3.31Å; R543-L548 PolarHBondContact O-N 3.14Å; L546-L548 HydrophobicContact CB-CD1 4.12Å; L546-L548 HydrophobicContact CB-CG 3.99Å; L546-L548 HydrophobicContact CD1-CD1 4.38Å; L546-L548 PolarHBondContact O-N 3.48Å; L548-R628 HydrophobicContact CD2-CG 3.89Å
549A92.5Very high96.2Very high81 Ų8162.6 Ų62.667%0.66932%0.323SS*.  trans-67.7137172.300000111.2R543R543-A549 PolarHBondContact NE-O 3.46Å; R543-A549 PolarHBondContact NH2-O 3.02Å
550T96Very high96.1Very high41 Ų4162.5 Ų62.525%0.25232%0.322SS..  trans-110.5117.7178.6-60.90000109.9R543 W552 L634R543-T550 WeakPolarHBondContact CB-OG1 3.49Å; R543-T550 WeakPolarHBondContact CD-OG1 3.21Å; R543-T550 PolarHBondContact NE-OG1 3.45Å; T550-W552 HydrophobicContact CG2-CZ2 4Å; T550-L634 HydrophobicContact CG2-CD1 4.03Å
551V96.7Very high96Very high58 Ų5861.6 Ų61.635%0.35232%0.316SS..  trans-126.6117.3176.6-172.60000109R633 L634V551-R633 WeakPolarHBondContact O-CA 3.35Å; V551-L634 PolarHBondContact O-N 3.08Å
552W97.6Very high95.8Very high48 Ų4860.4 Ų60.418%0.18232%0.316CS..BIsolated β-bridgetrans-85.7148.2-178.8-65.8105.3000112.4R536 V539 S540 T550 L634 V636R536-W552 VanDerWaalsContact CA-CZ2 3.5Å; R536-W552 HydrophobicContact CB-CH2 4.07Å; R536-W552 HydrophobicContact CB-CZ2 3.65Å; R536-W552 HydrophobicContact CG-CD2 4.22Å; R536-W552 HydrophobicContact CG-CE3 4.19Å; R536-W552 HydrophobicContact CG-CH2 3.76Å; R536-W552 HydrophobicContact CG-CZ2 3.77Å; R536-W552 HydrophobicContact CG-CZ3 3.97Å; R536-W552 VanDerWaalsContact CZ-CG 3.43Å; R536-W552 WeakPolarHBondContact O-CZ2 3.47Å; V539-W552 HydrophobicContact CB-CH2 3.86Å; V539-W552 HydrophobicContact CB-CZ2 4.05Å; V539-W552 HydrophobicContact CG1-CH2 3.67Å; V539-W552 HydrophobicContact CG1-CZ2 3.93Å; V539-W552 HydrophobicContact CG2-CH2 4.36Å; S540-W552 PolarHBondContact OG-NE1 2.79Å; T550-W552 HydrophobicContact CG2-CZ2 4Å; W552-L634 CarbonylContact C-O 3.46Å; W552-L634 WeakPolarHBondContact CA-O 3.31Å; W552-L634 HydrophobicContact CE3-CB 3.95Å; W552-L634 HydrophobicContact CH2-CB 4.47Å; W552-L634 HydrophobicContact CZ3-CB 3.88Å; W552-V636 HydrophobicContact CH2-CB 4.39Å; W552-V636 HydrophobicContact CH2-CG2 3.91Å; W552-V636 HydrophobicContact CZ3-CB 3.98Å; W552-V636 HydrophobicContact CZ3-CG2 3.74Å
553D96.9Very high95.7Very high23 Ų2358 Ų5812%0.12331%0.305CS..  trans-122.396.1172.5-176.8-17.4000109.7H555 L556 S557 R633 L634 K657D553-H555 VanDerWaalsContact C-N 3.28Å; D553-H555 PolarHBondContact O-N 3.43Å; D553-H555 PolarHBondContact OD1-N 3.26Å; D553-H555 VanDerWaalsContact OD1-N 3.17Å; D553-L556 HydrophobicContact CB-CB 3.95Å; D553-L556 VanDerWaalsContact CG-CB 3.44Å; D553-L556 PolarHBondContact O-N 2.78Å; D553-L556 PolarHBondContact OD1-N 3.08Å; D553-S557 PolarHBondContact O-N 3.39Å; D553-R633 HydrophobicContact CB-CB 4.03Å; D553-L634 PolarHBondContact N-O 3.01Å; D553-K657 WeakPolarHBondContact OD2-CE 3.13Å; D553-K657 IonicContact OD2-NZ 3.68Å; D553-K657 PolarHBondContact OD2-NZ 3.17Å
554D96.6Very high95.6Very high101 Ų10157.7 Ų57.754%0.5430%0.304SS..Hα-helixtrans-69.4-27.5-176-60-37.1000112.5R536 Y558R536-D554 IonicContact CZ-OD1 3.51Å; R536-D554 VanDerWaalsContact CZ-OD1 3.27Å; R536-D554 IonicContact NH1-OD1 3.56Å; R536-D554 PolarHBondContact NH1-OD1 2.87Å; R536-D554 IonicContact NH2-OD1 3.37Å; R536-D554 PolarHBondContact NH2-OD1 2.82Å; D554-Y558 WeakPolarHBondContact O-CB 3.4Å; D554-Y558 PolarHBondContact O-N 3.04Å
555H96.1Very high95.5Very high111 Ų11152.9 Ų52.951%0.51429%0.286SS..Hα-helixtrans-67.3-48.2173.4-17963.3000110.2D553 S557 Y558 L559D553-H555 VanDerWaalsContact C-N 3.28Å; D553-H555 PolarHBondContact O-N 3.43Å; D553-H555 PolarHBondContact OD1-N 3.26Å; D553-H555 VanDerWaalsContact OD1-N 3.17Å; H555-S557 VanDerWaalsContact C-N 3.35Å; H555-S557 PolarHBondContact O-N 3.33Å; H555-Y558 WeakPolarHBondContact O-CB 3.14Å; H555-Y558 PolarHBondContact O-N 3.34Å; H555-Y558 VanDerWaalsContact O-N 3.14Å; H555-L559 WeakPolarHBondContact O-CG 3.39Å; H555-L559 PolarHBondContact O-N 3.03Å
556L95.8Very high95.4Very high0 Ų047.2 Ų47.20%026%0.257CS..Hα-helixtrans-60.3-45175.8-176.761.6000111.2D553 Y558 L559 L560 F596 A635 K657D553-L556 HydrophobicContact CB-CB 3.95Å; D553-L556 VanDerWaalsContact CG-CB 3.44Å; D553-L556 PolarHBondContact O-N 2.78Å; D553-L556 PolarHBondContact OD1-N 3.08Å; L556-Y558 VanDerWaalsContact C-N 3.29Å; L556-Y558 PolarHBondContact O-N 3.04Å; L556-L559 WeakPolarHBondContact O-CB 3.47Å; L556-L559 PolarHBondContact O-N 2.9Å; L556-L559 VanDerWaalsContact O-N 3.11Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.22Å; L556-F596 HydrophobicContact CD1-CD2 4.28Å; L556-F596 HydrophobicContact CD1-CE2 3.93Å; L556-F596 HydrophobicContact CD2-CD2 4.41Å; L556-F596 HydrophobicContact CD2-CE2 4.33Å; L556-A635 HydrophobicContact CB-CB 3.9Å; L556-A635 HydrophobicContact CD2-CB 3.75Å; L556-A635 HydrophobicContact CG-CB 3.65Å; L556-K657 HydrophobicContact CD2-CB 4.42Å; L556-K657 HydrophobicContact CD2-CD 4.28Å; L556-K657 HydrophobicContact CD2-CG 4.22Å
557S96.8Very high95.4Very high3 Ų346.4 Ų46.42%0.02125%0.249CC..Hα-helixtrans-52.8-47172.7-85.60000111.7D553 H555 L559 L560 A635 V636 R637D553-S557 PolarHBondContact O-N 3.39Å; H555-S557 VanDerWaalsContact C-N 3.35Å; H555-S557 PolarHBondContact O-N 3.33Å; S557-L559 VanDerWaalsContact C-N 3.34Å; S557-L559 PolarHBondContact O-N 3.39Å; S557-L560 WeakPolarHBondContact O-CB 3.35Å; S557-L560 PolarHBondContact O-N 3.04Å; S557-A635 WeakPolarHBondContact OG-CA 3.24Å; S557-V636 WeakPolarHBondContact CB-O 3.24Å; S557-V636 PolarHBondContact OG-N 3.46Å; S557-V636 VanDerWaalsContact OG-N 3.09Å; S557-V636 PolarHBondContact OG-O 3.14Å; S557-R637 WeakPolarHBondContact O-CB 3.19Å; S557-R637 WeakPolarHBondContact O-CD 3.49Å; S557-R637 WeakPolarHBondContact O-CG 3.48Å
558Y96.1Very high95.4Very high157 Ų15739.2 Ų39.262%0.61621%0.211SC*.Hα-helixtrans-58.9-43.2177.5179-100.8000112.3D554 H555 L556 L560 S561D554-Y558 WeakPolarHBondContact O-CB 3.4Å; D554-Y558 PolarHBondContact O-N 3.04Å; H555-Y558 WeakPolarHBondContact O-CB 3.14Å; H555-Y558 PolarHBondContact O-N 3.34Å; H555-Y558 VanDerWaalsContact O-N 3.14Å; L556-Y558 VanDerWaalsContact C-N 3.29Å; L556-Y558 PolarHBondContact O-N 3.04Å; Y558-L560 VanDerWaalsContact C-N 3.28Å; Y558-L560 PolarHBondContact O-N 3.31Å; Y558-S561 WeakPolarHBondContact O-CB 3.01Å; Y558-S561 PolarHBondContact O-N 2.72Å; Y558-S561 PolarHBondContact O-OG 3.44Å
559L96.1Very high95.4Very high23 Ų2342.6 Ų42.612%0.1223%0.227CC..Hα-helixtrans-61-33.1178.5-62.4-177.3000113.2H555 L556 S557 S561 S562 A585 A589H555-L559 WeakPolarHBondContact O-CG 3.39Å; H555-L559 PolarHBondContact O-N 3.03Å; L556-L559 WeakPolarHBondContact O-CB 3.47Å; L556-L559 PolarHBondContact O-N 2.9Å; L556-L559 VanDerWaalsContact O-N 3.11Å; S557-L559 VanDerWaalsContact C-N 3.34Å; S557-L559 PolarHBondContact O-N 3.39Å; L559-S561 PolarHBondContact O-N 3.22Å; L559-S561 VanDerWaalsContact O-N 3.11Å; L559-S562 PolarHBondContact O-N 3.22Å; L559-S562 PolarHBondContact O-OG 3.11Å; L559-A585 HydrophobicContact CD1-CB 4.38Å; L559-A585 HydrophobicContact CD2-CB 4.08Å; L559-A589 HydrophobicContact CD1-CB 3.41Å; L559-A589 VanDerWaalsContact CD1-CB 3.41Å
560L96.5Very high95.4Very high0 Ų042.4 Ų42.40%021%0.212CC..Hα-helixtrans-62.5-18176.6-52.4-178.2000112.7L556 S557 Y558 S562 A563 L564 F582 F596 A635 R637 M653 A655L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.22Å; S557-L560 WeakPolarHBondContact O-CB 3.35Å; S557-L560 PolarHBondContact O-N 3.04Å; Y558-L560 VanDerWaalsContact C-N 3.28Å; Y558-L560 PolarHBondContact O-N 3.31Å; L560-S562 VanDerWaalsContact C-N 3.27Å; L560-S562 PolarHBondContact O-N 3.31Å; L560-A563 PolarHBondContact O-N 2.65Å; L560-L564 PolarHBondContact O-N 3.11Å; L560-F582 HydrophobicContact CD2-CE2 4.06Å; L560-F582 HydrophobicContact CD2-CZ 4.16Å; L560-F596 HydrophobicContact CD2-CE2 4.36Å; L560-F596 HydrophobicContact CD2-CZ 4.18Å; L560-A635 HydrophobicContact CD1-CB 4.12Å; L560-R637 HydrophobicContact CB-CB 3.67Å; L560-R637 HydrophobicContact CB-CG 4.22Å; L560-R637 HydrophobicContact CD1-CB 4.05Å; L560-R637 HydrophobicContact CG-CB 4.4Å; L560-M653 HydrophobicContact CB-CB 4.43Å; L560-M653 HydrophobicContact CB-SD 4.17Å; L560-M653 HydrophobicContact CD1-CB 4.09Å; L560-M653 HydrophobicContact CD1-CG 4.04Å; L560-M653 HydrophobicContact CD1-SD 4.48Å; L560-M653 HydrophobicContact CD2-CE 4.08Å; L560-M653 HydrophobicContact CD2-CG 4.37Å; L560-M653 HydrophobicContact CD2-SD 3.84Å; L560-M653 HydrophobicContact CG-SD 4.36Å; L560-A655 HydrophobicContact CD1-CB 3.93Å; L560-A655 HydrophobicContact CD2-CB 4.14Å
561S94.8Very high95.2Very high14 Ų1445.6 Ų45.610%0.09822%0.22CC..Hα-helixtrans-59.2-36.6179.7-52.30000112.5Y558 L559 S565 R637Y558-S561 WeakPolarHBondContact O-CB 3.01Å; Y558-S561 PolarHBondContact O-N 2.72Å; Y558-S561 PolarHBondContact O-OG 3.44Å; L559-S561 PolarHBondContact O-N 3.22Å; L559-S561 VanDerWaalsContact O-N 3.11Å; S561-S565 PolarHBondContact O-N 3.19Å; S561-S565 VanDerWaalsContact O-N 3.14Å; S561-S565 PolarHBondContact O-OG 2.85Å; S561-R637 PolarHBondContact OG-NE 3.36Å
562S92.8Very high95Very high48 Ų4844 Ų4434%0.33621%0.21SC..Hα-helixtrans-66.9-44.7-179.164.60000111L559 L560 L564 S565 A566 F582L559-S562 PolarHBondContact O-N 3.22Å; L559-S562 PolarHBondContact O-OG 3.11Å; L560-S562 VanDerWaalsContact C-N 3.27Å; L560-S562 PolarHBondContact O-N 3.31Å; S562-L564 PolarHBondContact O-N 3.46Å; S562-S565 WeakPolarHBondContact O-CB 3.45Å; S562-S565 PolarHBondContact O-N 2.93Å; S562-A566 PolarHBondContact O-N 3.38Å; S562-F582 WeakPolarHBondContact OG-CB 3.4Å; S562-F582 WeakPolarHBondContact OG-CD2 3.45Å
563A94.3Very high94.6Very high0 Ų044.3 Ų44.30%022%0.218CC..Hα-helixtrans-58.7-47.9176.500000112.1L560 S565 A566 Y567 F582 M653L560-A563 PolarHBondContact O-N 2.65Å; A563-S565 PolarHBondContact O-N 3.3Å; A563-A566 WeakPolarHBondContact O-CB 3.41Å; A563-A566 PolarHBondContact O-N 3.19Å; A563-Y567 HydrophobicContact CB-CE2 4.02Å; A563-Y567 WeakPolarHBondContact O-CD2 3.14Å; A563-Y567 VanDerWaalsContact O-CG 3.25Å; A563-Y567 PolarHBondContact O-N 3.32Å; A563-F582 HydrophobicContact CB-CD1 3.97Å; A563-F582 HydrophobicContact CB-CD2 3.89Å; A563-F582 HydrophobicContact CB-CE1 3.98Å; A563-F582 HydrophobicContact CB-CE2 3.9Å; A563-F582 HydrophobicContact CB-CG 3.92Å; A563-F582 HydrophobicContact CB-CZ 3.94Å; A563-M653 HydrophobicContact CB-SD 4.21Å
564L95.6Very high94Very high0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-63-32.3179.1-62.7-172.5000112.9L560 S562 Y567 E568 R637 R639 W651 M653L560-L564 PolarHBondContact O-N 3.11Å; S562-L564 PolarHBondContact O-N 3.46Å; L564-Y567 HydrophobicContact CD2-CD2 4.11Å; L564-Y567 HydrophobicContact CD2-CE2 4.38Å; L564-E568 PolarHBondContact O-N 2.96Å; L564-R637 HydrophobicContact CD1-CB 4.18Å; L564-R637 HydrophobicContact CD1-CG 4.1Å; L564-R637 WeakPolarHBondContact CD1-O 3.32Å; L564-R639 HydrophobicContact CB-CB 4.23Å; L564-R639 HydrophobicContact CB-CG 4.17Å; L564-R639 HydrophobicContact CD1-CB 4.17Å; L564-R639 HydrophobicContact CD1-CG 4.09Å; L564-W651 HydrophobicContact CB-CB 4.16Å; L564-W651 HydrophobicContact CD1-CB 4.27Å; L564-W651 HydrophobicContact CD2-CB 3.91Å; L564-W651 HydrophobicContact CG-CB 4.32Å; L564-M653 HydrophobicContact CD1-CB 4.44Å; L564-M653 HydrophobicContact CD2-CB 3.77Å; L564-M653 HydrophobicContact CG-CB 4.31Å
565S94Very high93.6Very high30 Ų3045.5 Ų45.521%0.2124%0.241CC..Hα-helixtrans-69.9-44.5175.1-45.60000111.9S561 S562 A563 Y567 E568 M569 R639S561-S565 PolarHBondContact O-N 3.19Å; S561-S565 VanDerWaalsContact O-N 3.14Å; S561-S565 PolarHBondContact O-OG 2.85Å; S562-S565 WeakPolarHBondContact O-CB 3.45Å; S562-S565 PolarHBondContact O-N 2.93Å; A563-S565 PolarHBondContact O-N 3.3Å; S565-Y567 VanDerWaalsContact C-N 3.32Å; S565-Y567 PolarHBondContact O-N 2.96Å; S565-E568 PolarHBondContact O-N 3.48Å; S565-M569 WeakPolarHBondContact O-CB 3.38Å; S565-M569 PolarHBondContact O-N 2.97Å; S565-R639 PolarHBondContact OG-NH1 2.84Å
566A94.4Very high93.1Very high5 Ų543.2 Ų43.24%0.04124%0.238CC..Hα-helixtrans-59.1-44.1176.500000111S562 A563 E568 M569 E570 C577S562-A566 PolarHBondContact O-N 3.38Å; A563-A566 WeakPolarHBondContact O-CB 3.41Å; A563-A566 PolarHBondContact O-N 3.19Å; A566-E568 PolarHBondContact O-N 3.47Å; A566-M569 PolarHBondContact O-N 3.49Å; A566-E570 WeakPolarHBondContact O-CB 3.33Å; A566-E570 PolarHBondContact O-N 3.4Å; A566-C577 WeakPolarHBondContact CB-O 3.13Å
567Y94.9Very high92.5Very high51 Ų5145.7 Ų45.720%0.226%0.255CS..Hα-helixtrans-62.1-44.5179-60.5-37.2000113.1A563 L564 S565 E570 R571 P600 W651A563-Y567 HydrophobicContact CB-CE2 4.02Å; A563-Y567 WeakPolarHBondContact O-CD2 3.14Å; A563-Y567 VanDerWaalsContact O-CG 3.25Å; A563-Y567 PolarHBondContact O-N 3.32Å; L564-Y567 HydrophobicContact CD2-CD2 4.11Å; L564-Y567 HydrophobicContact CD2-CE2 4.38Å; S565-Y567 VanDerWaalsContact C-N 3.32Å; S565-Y567 PolarHBondContact O-N 2.96Å; Y567-E570 PolarHBondContact O-N 2.76Å; Y567-R571 WeakPolarHBondContact O-CG 3.2Å; Y567-R571 PolarHBondContact O-N 2.76Å; Y567-R571 VanDerWaalsContact O-N 3.13Å; Y567-P600 HydrophobicContact CD2-CB 4.08Å; Y567-P600 HydrophobicContact CE2-CB 3.44Å; Y567-P600 VanDerWaalsContact CE2-CB 3.44Å; Y567-P600 HydrophobicContact CE2-CG 3.88Å; Y567-W651 HydrophobicContact CD2-CE3 4.08Å; Y567-W651 HydrophobicContact CD2-CZ3 4.07Å; Y567-W651 HydrophobicContact CG-CE3 4.44Å; Y567-W651 HydrophobicContact CG-CH2 4.42Å; Y567-W651 HydrophobicContact CG-CZ3 4.14Å
568E95.3Very high91.7Very high4 Ų447 Ų472%0.01927%0.269CS..Hα-helixtrans-69-38.1176.7-174.659.4-163.900112.1R344 L564 S565 A566 E570 R571 C572 F641 Y643 A649 W651R344-E568 IonicContact CZ-OE1 3.05Å; R344-E568 IonicContact CZ-OE2 3.38Å; R344-E568 IonicContact NE-OE1 3.89Å; R344-E568 PolarHBondContact NE-OE1 3.47Å; R344-E568 IonicContact NE-OE2 3.74Å; R344-E568 PolarHBondContact NE-OE2 3.18Å; R344-E568 IonicContact NH2-OE1 3.69Å; R344-E568 IonicContact NH2-OE2 3.85Å; R344-E568 PolarHBondContact NH2-OE2 2.88Å; L564-E568 PolarHBondContact O-N 2.96Å; S565-E568 PolarHBondContact O-N 3.48Å; A566-E568 PolarHBondContact O-N 3.47Å; E568-E570 VanDerWaalsContact C-N 3.32Å; E568-E570 PolarHBondContact O-N 3.32Å; E568-R571 WeakPolarHBondContact O-CB 3.4Å; E568-R571 PolarHBondContact O-N 3.07Å; E568-R571 VanDerWaalsContact O-N 3.15Å; E568-C572 PolarHBondContact O-N 3.48Å; E568-C572 PolarHBondContact O-SG 3.2Å; E568-F641 HydrophobicContact CB-CD1 4.29Å; E568-F641 HydrophobicContact CB-CD2 3.93Å; E568-F641 HydrophobicContact CB-CE1 4.06Å; E568-F641 HydrophobicContact CB-CE2 3.68Å; E568-F641 HydrophobicContact CB-CG 4.23Å; E568-F641 HydrophobicContact CB-CZ 3.75Å; E568-F641 HydrophobicContact CG-CB 4.21Å; E568-F641 HydrophobicContact CG-CD1 3.85Å; E568-F641 HydrophobicContact CG-CD2 3.82Å; E568-F641 HydrophobicContact CG-CE1 4.12Å; E568-F641 HydrophobicContact CG-CE2 4.09Å; E568-F641 HydrophobicContact CG-CG 3.69Å; E568-F641 HydrophobicContact CG-CZ 4.24Å; E568-Y643 PolarHBondContact OE1-OH 3.14Å; E568-A649 WeakPolarHBondContact OE2-CB 3.29Å; E568-W651 PolarHBondContact OE2-NE1 2.81Å
569M93.1Very high91.1Very high97 Ų9741.9 Ų41.948%0.47825%0.252SS..Hα-helixtrans-62.4-40.9176.5-171.4174.3-6200111.6S565 A566 R571 C572 T573 C577S565-M569 WeakPolarHBondContact O-CB 3.38Å; S565-M569 PolarHBondContact O-N 2.97Å; A566-M569 PolarHBondContact O-N 3.49Å; M569-R571 VanDerWaalsContact C-N 3.32Å; M569-R571 PolarHBondContact O-N 2.82Å; M569-C572 PolarHBondContact O-N 3.24Å; M569-T573 HydrophobicContact CG-CG2 4.22Å; M569-T573 WeakPolarHBondContact O-CB 3.42Å; M569-T573 WeakPolarHBondContact O-CG2 3.34Å; M569-T573 PolarHBondContact O-N 2.88Å; M569-T573 PolarHBondContact O-OG1 3.43Å; M569-C577 PolarHBondContact SD-SG 3.13Å
570E93.1Very high90.7Very high76 Ų7647.9 Ų47.936%0.35528%0.279SS..Hα-helixtrans-61.7-40.5174-175.4178.8151.100111.1A566 Y567 E568 C572 T573 G574 V575 S576A566-E570 WeakPolarHBondContact O-CB 3.33Å; A566-E570 PolarHBondContact O-N 3.4Å; Y567-E570 PolarHBondContact O-N 2.76Å; E568-E570 VanDerWaalsContact C-N 3.32Å; E568-E570 PolarHBondContact O-N 3.32Å; E570-C572 VanDerWaalsContact C-N 3.31Å; E570-C572 PolarHBondContact O-N 2.96Å; E570-T573 PolarHBondContact O-N 2.96Å; E570-G574 WeakPolarHBondContact O-CA 3.22Å; E570-G574 PolarHBondContact O-N 2.8Å; E570-V575 WeakPolarHBondContact CA-O 3.12Å; E570-S576 VanDerWaalsContact OE2-CB 3.26Å; E570-S576 WeakPolarHBondContact OE2-CB 3.32Å; E570-S576 PolarHBondContact OE2-OG 2.83Å
571R92.6Very high90.5Very high109 Ų10953.7 Ų53.741%0.41131%0.307SS..Hα-helixtrans-64.9-32.9174.5-66.3-63.8-175.9165.2-1.5113.3Y567 E568 M569 W651Y567-R571 WeakPolarHBondContact O-CG 3.2Å; Y567-R571 PolarHBondContact O-N 2.76Å; Y567-R571 VanDerWaalsContact O-N 3.13Å; E568-R571 WeakPolarHBondContact O-CB 3.4Å; E568-R571 PolarHBondContact O-N 3.07Å; E568-R571 VanDerWaalsContact O-N 3.15Å; M569-R571 VanDerWaalsContact C-N 3.32Å; M569-R571 PolarHBondContact O-N 2.82Å; R571-W651 HydrophobicContact CG-CZ2 4.07Å
572C91.5Very high90.3Very high23 Ų2353.8 Ų53.816%0.15531%0.305CS..Hα-helixtrans-80-34.5178.9-66.10000113.3R340 E568 M569 E570 Y643R340-C572 WeakPolarHBondContact CB-O 3.5Å; E568-C572 PolarHBondContact O-N 3.48Å; E568-C572 PolarHBondContact O-SG 3.2Å; M569-C572 PolarHBondContact O-N 3.24Å; E570-C572 VanDerWaalsContact C-N 3.31Å; E570-C572 PolarHBondContact O-N 2.96Å; C572-Y643 PolarHBondContact SG-OH 3.23Å
573T88.8Confident90.3Very high55 Ų5555.8 Ų55.834%0.33731%0.309SS..Hα-helixtrans-106.6-27.8-170.362.80000112.7R340 M569 E570 V575R340-T573 WeakPolarHBondContact CD-O 3.36Å; R340-T573 PolarHBondContact NH1-O 2.77Å; M569-T573 HydrophobicContact CG-CG2 4.22Å; M569-T573 WeakPolarHBondContact O-CB 3.42Å; M569-T573 WeakPolarHBondContact O-CG2 3.34Å; M569-T573 PolarHBondContact O-N 2.88Å; M569-T573 PolarHBondContact O-OG1 3.43Å; E570-T573 PolarHBondContact O-N 2.96Å; T573-V575 VanDerWaalsContact C-N 3.25Å; T573-V575 PolarHBondContact OG1-N 2.87Å; T573-V575 VanDerWaalsContact OG1-N 3.07Å; T573-V575 PolarHBondContact OG1-O 2.9Å
574G85.8Confident90.2Very high58 Ų5859.1 Ų59.160%0.59833%0.327SS*.SBendtrans74.713.3-16600000113.5E570E570-G574 WeakPolarHBondContact O-CA 3.22Å; E570-G574 PolarHBondContact O-N 2.8Å
575V87.4Confident90.2Very high91 Ų9160.1 Ų60.155%0.55234%0.335SS*.  trans-118.6123.5179.7-177.60000108.9E570 T573E570-V575 WeakPolarHBondContact CA-O 3.12Å; T573-V575 VanDerWaalsContact C-N 3.25Å; T573-V575 PolarHBondContact OG1-N 2.87Å; T573-V575 VanDerWaalsContact OG1-N 3.07Å; T573-V575 PolarHBondContact OG1-O 2.9Å
576S86.1Confident90.2Very high63 Ų6359.2 Ų59.244%0.44133%0.329SS..  trans-80.5125.8174.1-156.40000109.7E570 N579E570-S576 VanDerWaalsContact OE2-CB 3.26Å; E570-S576 WeakPolarHBondContact OE2-CB 3.32Å; E570-S576 PolarHBondContact OE2-OG 2.83Å; S576-N579 PolarHBondContact OG-ND2 3.01Å
577C82.1Confident90.1Very high53 Ų5366.3 Ų66.336%0.35835%0.354SS..  trans-149.6150.3-18054.70000110.4A566 M569A566-C577 WeakPolarHBondContact CB-O 3.13Å; M569-C577 PolarHBondContact SD-SG 3.13Å
578G79.8Confident90Very high31 Ų3173.1 Ų73.132%0.3238%0.38SS..SBendtrans90.10.817600000116.5E581 F582G578-E581 VanDerWaalsContact C-OE2 3.32Å; G578-E581 VanDerWaalsContact CA-OE2 3.24Å; G578-E581 WeakPolarHBondContact CA-OE2 3.38Å; G578-F582 PolarHBondContact O-N 3.31Å
579N83.6Confident89.8Confident49 Ų4973.7 Ų73.726%0.26239%0.385SS..Hα-helixtrans-72.9-30.2-179.7-82-28.6000113.1S576 Q583S576-N579 PolarHBondContact OG-ND2 3.01Å; N579-Q583 VanDerWaalsContact O-CG 3.28Å; N579-Q583 WeakPolarHBondContact O-CG 3.26Å; N579-Q583 PolarHBondContact O-N 3.11Å
580E89.3Confident89.8Confident148 Ų14870 Ų7069%0.69237%0.368SS*.Hα-helixtrans-69.9-46.7-177.5-64.4-176174.300111.2F582 Q583 D584E580-F582 VanDerWaalsContact C-N 3.29Å; E580-F582 PolarHBondContact O-N 3.34Å; E580-Q583 PolarHBondContact O-N 3.48Å; E580-D584 PolarHBondContact O-N 3.25Å
581E90.9Very high89.6Confident123 Ų12369.4 Ų69.458%0.57537%0.371SS*.Hα-helixtrans-63.6-37.4178.4-60.585.4167.500111.6G578 A585G578-E581 VanDerWaalsContact C-OE2 3.32Å; G578-E581 VanDerWaalsContact CA-OE2 3.24Å; G578-E581 WeakPolarHBondContact CA-OE2 3.38Å; E581-A585 WeakPolarHBondContact O-CB 3.44Å; E581-A585 PolarHBondContact O-N 3.36Å
582F91.9Very high89.4Confident16 Ų1672.1 Ų72.17%0.0739%0.393CS..Hα-helixtrans-62.5-50.1172.8172-113.2000111.7L560 S562 A563 G578 E580 D584 A585 V586 F596 M653L560-F582 HydrophobicContact CD2-CE2 4.06Å; L560-F582 HydrophobicContact CD2-CZ 4.16Å; S562-F582 WeakPolarHBondContact OG-CB 3.4Å; S562-F582 WeakPolarHBondContact OG-CD2 3.45Å; A563-F582 HydrophobicContact CB-CD1 3.97Å; A563-F582 HydrophobicContact CB-CD2 3.89Å; A563-F582 HydrophobicContact CB-CE1 3.98Å; A563-F582 HydrophobicContact CB-CE2 3.9Å; A563-F582 HydrophobicContact CB-CG 3.92Å; A563-F582 HydrophobicContact CB-CZ 3.94Å; G578-F582 PolarHBondContact O-N 3.31Å; E580-F582 VanDerWaalsContact C-N 3.29Å; E580-F582 PolarHBondContact O-N 3.34Å; F582-D584 VanDerWaalsContact C-N 3.3Å; F582-D584 PolarHBondContact O-N 3.3Å; F582-A585 PolarHBondContact O-N 3.28Å; F582-V586 HydrophobicContact CD2-CG2 3.95Å; F582-V586 HydrophobicContact CE1-CG2 4.29Å; F582-V586 HydrophobicContact CE2-CG2 3.43Å; F582-V586 VanDerWaalsContact CE2-CG2 3.43Å; F582-V586 HydrophobicContact CZ-CG2 3.63Å; F582-V586 WeakPolarHBondContact O-CG2 3.16Å; F582-V586 PolarHBondContact O-N 3.28Å; F582-F596 HydrophobicContact CZ-CZ 4.37Å; F582-M653 HydrophobicContact CE1-CE 4.44Å; F582-M653 HydrophobicContact CZ-CE 3.94Å; F582-M653 HydrophobicContact CZ-SD 4.43Å
583Q91.8Very high89.1Confident90 Ų9074 Ų7442%0.42142%0.416SS..Hα-helixtrans-59.1-43.5179.3-74.7177.721.200111.5N579 E580 V586 R587N579-Q583 VanDerWaalsContact O-CG 3.28Å; N579-Q583 WeakPolarHBondContact O-CG 3.26Å; N579-Q583 PolarHBondContact O-N 3.11Å; E580-Q583 PolarHBondContact O-N 3.48Å; Q583-V586 PolarHBondContact O-N 3.15Å; Q583-R587 WeakPolarHBondContact O-CB 3.33Å; Q583-R587 VanDerWaalsContact O-CG 3.25Å; Q583-R587 WeakPolarHBondContact O-CG 3.48Å; Q583-R587 PolarHBondContact O-N 3.35Å
584D93.1Very high89.3Confident69 Ų6973.6 Ų73.637%0.36941%0.411SS..Hα-helixtrans-67.4-38.5178.7-79.3-4.3000112.9E580 F582 R587 R588E580-D584 PolarHBondContact O-N 3.25Å; F582-D584 VanDerWaalsContact C-N 3.3Å; F582-D584 PolarHBondContact O-N 3.3Å; D584-R587 IonicContact OD1-CZ 3.94Å; D584-R587 IonicContact OD1-NH1 2.77Å; D584-R587 PolarHBondContact OD1-NH1 2.77Å; D584-R588 WeakPolarHBondContact O-CG 3.17Å; D584-R588 PolarHBondContact O-N 3.48Å; D584-R588 VanDerWaalsContact O-N 3.14Å; D584-R588 PolarHBondContact O-NE 2.95Å
585A94.1Very high89.6Confident21 Ų2173.3 Ų73.317%0.17440%0.397CS..Hα-helixtrans-64.1-43.1174.900000111.8L559 E581 F582 R588 A589L559-A585 HydrophobicContact CD1-CB 4.38Å; L559-A585 HydrophobicContact CD2-CB 4.08Å; E581-A585 WeakPolarHBondContact O-CB 3.44Å; E581-A585 PolarHBondContact O-N 3.36Å; F582-A585 PolarHBondContact O-N 3.28Å; A585-R588 PolarHBondContact O-N 2.89Å; A585-A589 WeakPolarHBondContact O-CB 3.29Å; A585-A589 PolarHBondContact O-N 3.25Å
586V93.9Very high89.9Confident12 Ų1271.6 Ų71.67%0.07338%0.382CS..Hα-helixtrans-65.9-44.6176.9173.20000111.2F582 Q583 R588 A589 V590 F596F582-V586 HydrophobicContact CD2-CG2 3.95Å; F582-V586 HydrophobicContact CE1-CG2 4.29Å; F582-V586 HydrophobicContact CE2-CG2 3.43Å; F582-V586 VanDerWaalsContact CE2-CG2 3.43Å; F582-V586 HydrophobicContact CZ-CG2 3.63Å; F582-V586 WeakPolarHBondContact O-CG2 3.16Å; F582-V586 PolarHBondContact O-N 3.28Å; Q583-V586 PolarHBondContact O-N 3.15Å; V586-R588 PolarHBondContact O-N 3.02Å; V586-A589 PolarHBondContact O-N 3.05Å; V586-V590 HydrophobicContact CG1-CG2 3.87Å; V586-V590 WeakPolarHBondContact O-CG2 3.39Å; V586-V590 PolarHBondContact O-N 2.6Å; V586-F596 HydrophobicContact CG1-CB 4.26Å; V586-F596 HydrophobicContact CG1-CD1 3.67Å; V586-F596 HydrophobicContact CG1-CD2 3.85Å; V586-F596 HydrophobicContact CG1-CE1 3.88Å; V586-F596 HydrophobicContact CG1-CE2 4.05Å; V586-F596 HydrophobicContact CG1-CG 3.65Å; V586-F596 HydrophobicContact CG1-CZ 4.06Å; V586-F596 HydrophobicContact CG2-CZ 4.37Å
587R93Very high90.4Very high153 Ų15371 Ų7158%0.57737%0.372SS*.Hα-helixtrans-56.2-36176-75.6173.6-168.8132.75.5112.2Q583 D584Q583-R587 WeakPolarHBondContact O-CB 3.33Å; Q583-R587 VanDerWaalsContact O-CG 3.25Å; Q583-R587 WeakPolarHBondContact O-CG 3.48Å; Q583-R587 PolarHBondContact O-N 3.35Å; D584-R587 IonicContact OD1-CZ 3.94Å; D584-R587 IonicContact OD1-NH1 2.77Å; D584-R587 PolarHBondContact OD1-NH1 2.77Å
588R92.4Very high91Very high195 Ų19569.4 Ų69.474%0.73636%0.364SS*.Hα-helixtrans-77-29.1176.3-71.8-177.5-115.9130.3-5.6113.7D584 A585 V586D584-R588 WeakPolarHBondContact O-CG 3.17Å; D584-R588 PolarHBondContact O-N 3.48Å; D584-R588 VanDerWaalsContact O-N 3.14Å; D584-R588 PolarHBondContact O-NE 2.95Å; A585-R588 PolarHBondContact O-N 2.89Å; V586-R588 PolarHBondContact O-N 3.02Å
589A92.1Very high91.9Very high16 Ų1669.5 Ų69.513%0.13236%0.356CS..Hα-helixtrans-86.9-15.5-177.800000114.3L559 A585 V586 K657L559-A589 HydrophobicContact CD1-CB 3.41Å; L559-A589 VanDerWaalsContact CD1-CB 3.41Å; A585-A589 WeakPolarHBondContact O-CB 3.29Å; A585-A589 PolarHBondContact O-N 3.25Å; V586-A589 PolarHBondContact O-N 3.05Å; A589-K657 PolarHBondContact O-NZ 3Å; A589-K657 VanDerWaalsContact O-NZ 3.14Å
590V92.1Very high92.5Very high19 Ų1969.4 Ų69.412%0.11536%0.358CS..SBendtrans-98.2114178.4179.50000108.2V586 H594 F596V586-V590 HydrophobicContact CG1-CG2 3.87Å; V586-V590 WeakPolarHBondContact O-CG2 3.39Å; V586-V590 PolarHBondContact O-N 2.6Å; V590-H594 HydrophobicContact CG1-CB 3.75Å; V590-F596 HydrophobicContact CG1-CB 4.42Å; V590-F596 HydrophobicContact CG2-CB 3.7Å; V590-F596 HydrophobicContact CG2-CD2 4.31Å; V590-F596 HydrophobicContact CG2-CG 4.27Å
591P90.1Very high92.8Very high64 Ų6463.9 Ų63.942%0.41633%0.333SS..  trans-65.2158.4-178.7-18.230.2000112.7G593 H594P591-G593 PolarHBondContact O-N 3.04Å; P591-H594 VanDerWaalsContact O-CB 3.29Å; P591-H594 WeakPolarHBondContact O-CB 3.22Å; P591-H594 PolarHBondContact O-N 2.95Å
592D87.1Confident93.1Very high166 Ų16660.5 Ų60.589%0.88832%0.317SS*.THydrogen-bonded Turntrans-54139174.4-67-30.9000111.5H594D592-H594 PolarHBondContact O-N 3.16Å; D592-H594 PolarHBondContact O-ND1 3.05Å
593G86.5Confident93.3Very high62 Ų6260.6 Ų60.664%0.63932%0.317SS*.THydrogen-bonded Turntrans73.72.9-175.800000115.3P591P591-G593 PolarHBondContact O-N 3.04Å
594H91.5Very high93.4Very high47 Ų4759.6 Ų59.622%0.21832%0.315CS..EExtended strand (participates in β ladder)trans-96.1151.9170.2-66.461.3000111.5V590 P591 D592 Y658V590-H594 HydrophobicContact CG1-CB 3.75Å; P591-H594 VanDerWaalsContact O-CB 3.29Å; P591-H594 WeakPolarHBondContact O-CB 3.22Å; P591-H594 PolarHBondContact O-N 2.95Å; D592-H594 PolarHBondContact O-N 3.16Å; D592-H594 PolarHBondContact O-ND1 3.05Å; H594-Y658 CarbonylContact C-O 3.51Å; H594-Y658 VanDerWaalsContact CA-O 3.24Å; H594-Y658 WeakPolarHBondContact CA-O 3.49Å; H594-Y658 WeakPolarHBondContact CB-O 3.45Å
595T92.3Very high93.4Very high51 Ų5158.2 Ų58.231%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-106.1140.6173-58.30000109.4K657 Y658T595-K657 VanDerWaalsContact O-CA 3.22Å; T595-K657 WeakPolarHBondContact O-CA 3.44Å; T595-Y658 HydrophobicContact CG2-CE1 4.04Å; T595-Y658 PolarHBondContact N-O 2.87Å; T595-Y658 PolarHBondContact O-N 3.13Å; T595-Y658 VanDerWaalsContact O-N 3.09Å
596F94.8Very high93.3Very high56 Ų5662.7 Ų62.725%0.24632%0.318CS..EExtended strand (participates in β ladder)trans-110.3133.2169.6169.3-96.5000110.2L556 L560 F582 V586 V590 M653 A655 C656L556-F596 HydrophobicContact CD1-CD2 4.28Å; L556-F596 HydrophobicContact CD1-CE2 3.93Å; L556-F596 HydrophobicContact CD2-CD2 4.41Å; L556-F596 HydrophobicContact CD2-CE2 4.33Å; L560-F596 HydrophobicContact CD2-CE2 4.36Å; L560-F596 HydrophobicContact CD2-CZ 4.18Å; F582-F596 HydrophobicContact CZ-CZ 4.37Å; V586-F596 HydrophobicContact CG1-CB 4.26Å; V586-F596 HydrophobicContact CG1-CD1 3.67Å; V586-F596 HydrophobicContact CG1-CD2 3.85Å; V586-F596 HydrophobicContact CG1-CE1 3.88Å; V586-F596 HydrophobicContact CG1-CE2 4.05Å; V586-F596 HydrophobicContact CG1-CG 3.65Å; V586-F596 HydrophobicContact CG1-CZ 4.06Å; V586-F596 HydrophobicContact CG2-CZ 4.37Å; V590-F596 HydrophobicContact CG1-CB 4.42Å; V590-F596 HydrophobicContact CG2-CB 3.7Å; V590-F596 HydrophobicContact CG2-CD2 4.31Å; V590-F596 HydrophobicContact CG2-CG 4.27Å; F596-M653 HydrophobicContact CZ-CE 4.32Å; F596-A655 HydrophobicContact CE2-CB 3.68Å; F596-A655 HydrophobicContact CZ-CB 4.11Å; F596-C656 WeakPolarHBondContact CA-O 3.33Å
597K95.7Very high93.2Very high50 Ų5065.2 Ų65.222%0.21733%0.331CS..EExtended strand (participates in β ladder)trans-124.5137.4168.6-67.1-174.6175.1-173.20108.6E623 I624 A655 C656 Y658K597-E623 IonicContact NZ-OE2 3.75Å; K597-E623 PolarHBondContact NZ-OE2 3.42Å; K597-I624 HydrophobicContact CB-CD1 3.96Å; K597-I624 HydrophobicContact CB-CG1 3.71Å; K597-I624 HydrophobicContact CD-CG1 4.37Å; K597-A655 CarbonylContact O-C 3.55Å; K597-A655 WeakPolarHBondContact O-CA 3.37Å; K597-A655 WeakPolarHBondContact O-CB 3.5Å; K597-C656 PolarHBondContact N-O 3.26Å; K597-C656 PolarHBondContact O-N 3.25Å; K597-Y658 HydrophobicContact CD-CE1 4.35Å; K597-Y658 WeakPolarHBondContact CE-OH 3.39Å; K597-Y658 HydrophobicContact CG-CE1 4.39Å
598G95.8Very high93.3Very high19 Ų1958 Ų5820%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-141.8130.6-179.900000111.9F620 F654G598-F620 WeakPolarHBondContact O-CE1 3.33Å; G598-F654 CarbonylContact C-O 3.59Å; G598-F654 WeakPolarHBondContact CA-O 3.27Å
599F97.3Very high93.4Very high33 Ų3357.8 Ų57.815%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-122.8100-176.9179.4-110.7000110.5I601 S618 F620 C621 I624 M653 F654F599-I601 HydrophobicContact CE1-CB 3.93Å; F599-I601 HydrophobicContact CE1-CD1 3.97Å; F599-I601 HydrophobicContact CE1-CG2 4.22Å; F599-I601 HydrophobicContact CZ-CB 4.36Å; F599-I601 HydrophobicContact CZ-CD1 4.12Å; F599-S618 WeakPolarHBondContact CE2-OG 3.44Å; F599-S618 WeakPolarHBondContact CZ-OG 3.09Å; F599-F620 HydrophobicContact CB-CD1 3.73Å; F599-F620 HydrophobicContact CB-CE1 3.86Å; F599-F620 AromaticContact CD2-CD1 3.55Å; F599-F620 HydrophobicContact CD2-CD1 3.55Å; F599-F620 HydrophobicContact CD2-CE1 4.26Å; F599-F620 HydrophobicContact CD2-CG 4.46Å; F599-F620 AromaticContact CG-CD1 3.98Å; F599-F620 HydrophobicContact CG-CD1 3.98Å; F599-C621 HydrophobicContact CD1-CB 3.48Å; F599-C621 VanDerWaalsContact CD1-CB 3.48Å; F599-C621 HydrophobicContact CE1-CB 3.59Å; F599-C621 HydrophobicContact CG-CB 4.04Å; F599-C621 HydrophobicContact CZ-CB 4.23Å; F599-I624 HydrophobicContact CB-CD1 3.61Å; F599-M653 WeakPolarHBondContact O-CA 3.24Å; F599-F654 HydrophobicContact CD1-CD2 4.37Å; F599-F654 PolarHBondContact N-O 2.83Å; F599-F654 PolarHBondContact O-N 2.77Å
600P96.2Very high93.4Very high48 Ų4863 Ų6331%0.31232%0.32SS..EExtended strand (participates in β ladder)trans-82.9140.8172.933.6-33.2000111.2Y567 M652 M653Y567-P600 HydrophobicContact CD2-CB 4.08Å; Y567-P600 HydrophobicContact CE2-CB 3.44Å; Y567-P600 VanDerWaalsContact CE2-CB 3.44Å; Y567-P600 HydrophobicContact CE2-CG 3.88Å; P600-M652 CarbonylContact C-O 3.6Å; P600-M652 WeakPolarHBondContact CA-O 3.41Å; P600-M653 HydrophobicContact CB-CG 4.4Å; P600-M653 HydrophobicContact CB-SD 4.47Å
601I96.8Very high93.6Very high32 Ų3262.1 Ų62.116%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-146151.6177.2-170.9162.9000110.5F599 F603 M652 F654F599-I601 HydrophobicContact CE1-CB 3.93Å; F599-I601 HydrophobicContact CE1-CD1 3.97Å; F599-I601 HydrophobicContact CE1-CG2 4.22Å; F599-I601 HydrophobicContact CZ-CB 4.36Å; F599-I601 HydrophobicContact CZ-CD1 4.12Å; I601-F603 HydrophobicContact CB-CE2 4.39Å; I601-F603 HydrophobicContact CD1-CE1 4.24Å; I601-F603 HydrophobicContact CD1-CE2 4.08Å; I601-F603 HydrophobicContact CD1-CZ 3.58Å; I601-F603 HydrophobicContact CG1-CE2 3.91Å; I601-F603 HydrophobicContact CG1-CZ 3.87Å; I601-F603 HydrophobicContact CG2-CD2 4.5Å; I601-F603 HydrophobicContact CG2-CE2 3.67Å; I601-F603 HydrophobicContact CG2-CZ 4.26Å; I601-M652 HydrophobicContact CG2-CB 3.94Å; I601-M652 PolarHBondContact N-O 3.3Å; I601-M652 PolarHBondContact O-N 3.47Å; I601-F654 HydrophobicContact CG2-CE2 4.47Å
602H96.2Very high93.9Very high52 Ų5259.9 Ų59.924%0.24130%0.299CS..EExtended strand (participates in β ladder)trans-125.1137.1-176.8167.1-95.9000111.2R344 V650 W651R344-H602 PolarHBondContact NH2-CD2 3.05Å; R344-H602 PolarHBondContact NH2-NE2 2.7Å; H602-V650 CarbonylContact C-O 3.58Å; H602-V650 WeakPolarHBondContact CA-O 3.25Å; H602-W651 HydrophobicContact CB-CD2 3.98Å; H602-W651 HydrophobicContact CB-CE3 3.75Å; H602-W651 HydrophobicContact CB-CH2 3.78Å; H602-W651 HydrophobicContact CB-CZ2 4Å; H602-W651 HydrophobicContact CB-CZ3 3.65Å; H602-W651 AromaticContact CD2-CE2 3.59Å; H602-W651 AromaticContact CD2-CZ2 3.88Å; H602-W651 AromaticContact CD2-NE1 3.67Å
603F95.9Very high94.4Very high17 Ų1754.6 Ų54.68%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-129.1154.5176.8-60.7-81.4000112I601 H605 A611 T614 V650 M652I601-F603 HydrophobicContact CB-CE2 4.39Å; I601-F603 HydrophobicContact CD1-CE1 4.24Å; I601-F603 HydrophobicContact CD1-CE2 4.08Å; I601-F603 HydrophobicContact CD1-CZ 3.58Å; I601-F603 HydrophobicContact CG1-CE2 3.91Å; I601-F603 HydrophobicContact CG1-CZ 3.87Å; I601-F603 HydrophobicContact CG2-CD2 4.5Å; I601-F603 HydrophobicContact CG2-CE2 3.67Å; I601-F603 HydrophobicContact CG2-CZ 4.26Å; F603-H605 AromaticContact CD1-NE2 3.96Å; F603-A611 HydrophobicContact CD1-CB 4.39Å; F603-A611 HydrophobicContact CD2-CB 3.98Å; F603-A611 HydrophobicContact CE1-CB 4.18Å; F603-A611 HydrophobicContact CE2-CB 3.72Å; F603-A611 HydrophobicContact CG-CB 4.3Å; F603-A611 HydrophobicContact CZ-CB 3.83Å; F603-T614 HydrophobicContact CE1-CG2 3.86Å; F603-T614 HydrophobicContact CZ-CG2 4.31Å; F603-V650 HydrophobicContact CB-CB 4.27Å; F603-V650 PolarHBondContact N-O 3.05Å; F603-V650 PolarHBondContact O-N 2.9Å; F603-M652 HydrophobicContact CD2-CE 4.01Å; F603-M652 HydrophobicContact CD2-CG 4.39Å; F603-M652 HydrophobicContact CD2-SD 3.94Å; F603-M652 HydrophobicContact CE2-CE 4.37Å; F603-M652 HydrophobicContact CE2-CG 4.49Å; F603-M652 HydrophobicContact CE2-SD 3.79Å
604L94.3Very high94.8Very high70 Ų7053.5 Ų53.537%0.36626%0.259SS..SBendtrans-93.81.5173.8-57.2-175.6000113L348L348-L604 HydrophobicContact CB-CD2 4.34Å; L348-L604 HydrophobicContact CD2-CD2 3.44Å; L348-L604 VanDerWaalsContact CD2-CD2 3.44Å; L348-L604 HydrophobicContact CG-CD2 4.47Å
605H92.4Very high95Very high40 Ų4051.3 Ų51.319%0.18525%0.249CC..SBendtrans-135.3161.6-174.867.863.1000111.3F603 N607 R610 V650F603-H605 AromaticContact CD1-NE2 3.96Å; H605-N607 PolarHBondContact CE1-O 2.99Å; H605-N607 PolarHBondContact ND1-N 3.16Å; H605-R610 WeakPolarHBondContact NE2-CD 3.47Å; H605-R610 PolarHBondContact NE2-NE 2.95Å; H605-V650 WeakPolarHBondContact O-CG2 3.44Å
606R92.7Very high95.1Very high114 Ų11450.6 Ų50.643%0.4324%0.243SC..  trans-102.54.6-178-59.7178.3-68.5128.92.5114.2V527 L531 A608 V650V527-R606 HydrophobicContact CG1-CG 4.43Å; L531-R606 WeakPolarHBondContact CD1-O 3.41Å; R606-A608 PolarHBondContact O-N 2.98Å; R606-A608 VanDerWaalsContact O-N 3.17Å; R606-V650 HydrophobicContact CG-CG2 3.99Å
607N92.7Very high95.2Very high65 Ų6557 Ų5735%0.34827%0.265SS..  trans-71.2108.1179.4-174.5-46.8000111.4H605 R609 R610 A611H605-N607 PolarHBondContact CE1-O 2.99Å; H605-N607 PolarHBondContact ND1-N 3.16Å; N607-R609 PolarHBondContact OD1-N 3.25Å; N607-R610 HydrophobicContact CB-CB 4.02Å; N607-R610 WeakPolarHBondContact OD1-CB 3.48Å; N607-R610 PolarHBondContact OD1-N 3.18Å; N607-A611 WeakPolarHBondContact O-CB 3.49Å; N607-A611 PolarHBondContact O-N 2.75Å
608A94.4Very high95.2Very high3 Ų356 Ų563%0.02527%0.265CS..Hα-helixtrans-62.8-45.9-175.900000113.3L531 E534 M535 L538 R606 R610 A611 F612L531-A608 HydrophobicContact CD1-CB 3.48Å; L531-A608 VanDerWaalsContact CD1-CB 3.48Å; E534-A608 HydrophobicContact CB-CB 3.81Å; E534-A608 WeakPolarHBondContact OE2-CB 3.36Å; M535-A608 HydrophobicContact CE-CB 3.92Å; M535-A608 WeakPolarHBondContact CE-O 3.37Å; L538-A608 HydrophobicContact CD1-CB 4.03Å; R606-A608 PolarHBondContact O-N 2.98Å; R606-A608 VanDerWaalsContact O-N 3.17Å; A608-R610 PolarHBondContact O-N 3.07Å; A608-A611 PolarHBondContact O-N 3.39Å; A608-F612 WeakPolarHBondContact O-CB 3.37Å; A608-F612 PolarHBondContact O-N 2.79Å
609R93.8Very high95.1Very high189 Ų18959.3 Ų59.371%0.71328%0.283SS*.Hα-helixtrans-63.4-45.1-177.8-64.3-175.5-179.1-153.20.1111.6L538 N607 A611 F612 A613L538-R609 HydrophobicContact CD1-CG 4.27Å; L538-R609 HydrophobicContact CD2-CG 4.25Å; N607-R609 PolarHBondContact OD1-N 3.25Å; R609-A611 VanDerWaalsContact C-N 3.34Å; R609-F612 PolarHBondContact O-N 3.43Å; R609-A613 WeakPolarHBondContact O-CB 3.23Å; R609-A613 PolarHBondContact O-N 3Å
610R93.8Very high95Very high127 Ų12761.7 Ų61.748%0.47929%0.294SS..Hα-helixtrans-62.7-41.6176.1-178.9179.3169.8178.1-1.5111.6E207 H605 N607 A608 T614E207-R610 IonicContact OE1-NH1 2.98Å; E207-R610 PolarHBondContact OE1-NH1 3.48Å; H605-R610 WeakPolarHBondContact NE2-CD 3.47Å; H605-R610 PolarHBondContact NE2-NE 2.95Å; N607-R610 HydrophobicContact CB-CB 4.02Å; N607-R610 WeakPolarHBondContact OD1-CB 3.48Å; N607-R610 PolarHBondContact OD1-N 3.18Å; A608-R610 PolarHBondContact O-N 3.07Å; R610-T614 WeakPolarHBondContact O-CB 3.37Å; R610-T614 PolarHBondContact O-N 2.95Å; R610-T614 VanDerWaalsContact O-N 3.12Å; R610-T614 PolarHBondContact O-OG1 2.78Å
611A95.7Very high95Very high0 Ų059.4 Ų59.40%028%0.279CS..Hα-helixtrans-64.1-50.3176.200000110.9M535 F603 N607 A608 R609 A613 T614 C615 M652M535-A611 HydrophobicContact CE-CB 3.58Å; F603-A611 HydrophobicContact CD1-CB 4.39Å; F603-A611 HydrophobicContact CD2-CB 3.98Å; F603-A611 HydrophobicContact CE1-CB 4.18Å; F603-A611 HydrophobicContact CE2-CB 3.72Å; F603-A611 HydrophobicContact CG-CB 4.3Å; F603-A611 HydrophobicContact CZ-CB 3.83Å; N607-A611 WeakPolarHBondContact O-CB 3.49Å; N607-A611 PolarHBondContact O-N 2.75Å; A608-A611 PolarHBondContact O-N 3.39Å; R609-A611 VanDerWaalsContact C-N 3.34Å; A611-A613 PolarHBondContact O-N 2.9Å; A611-T614 WeakPolarHBondContact O-CA 3.11Å; A611-T614 WeakPolarHBondContact O-CB 3.47Å; A611-T614 PolarHBondContact O-N 2.82Å; A611-C615 PolarHBondContact O-N 3.34Å; A611-C615 PolarHBondContact O-SG 3.18Å; A611-M652 HydrophobicContact CB-CE 3.81Å; A611-M652 HydrophobicContact CB-SD 4.1Å
612F97.1Very high94.9Very high16 Ų1662.7 Ų62.77%0.0729%0.293CS..Hα-helixtrans-60.7-45.9-179.8-175.1-118.3000112.6M535 L538 V539 H542 A608 R609 T614 C615 L616 V625 F654M535-F612 HydrophobicContact CE-CB 4.19Å; M535-F612 HydrophobicContact SD-CB 4.03Å; M535-F612 HydrophobicContact SD-CD2 4.32Å; L538-F612 HydrophobicContact CB-CD1 3.78Å; L538-F612 HydrophobicContact CB-CD2 4.44Å; L538-F612 HydrophobicContact CB-CE1 4.05Å; L538-F612 HydrophobicContact CB-CG 3.99Å; L538-F612 HydrophobicContact CD1-CB 3.82Å; L538-F612 HydrophobicContact CD1-CD1 4.35Å; L538-F612 HydrophobicContact CD1-CG 4.21Å; L538-F612 HydrophobicContact CG-CD1 4.49Å; V539-F612 HydrophobicContact CG2-CD2 4.29Å; V539-F612 HydrophobicContact CG2-CE2 3.57Å; V539-F612 HydrophobicContact CG2-CZ 4.2Å; H542-F612 HydrophobicContact CB-CE1 3.97Å; H542-F612 HydrophobicContact CB-CZ 3.86Å; A608-F612 WeakPolarHBondContact O-CB 3.37Å; A608-F612 PolarHBondContact O-N 2.79Å; R609-F612 PolarHBondContact O-N 3.43Å; F612-T614 PolarHBondContact O-N 3.24Å; F612-C615 WeakPolarHBondContact O-CB 3.45Å; F612-C615 PolarHBondContact O-N 3.03Å; F612-C615 VanDerWaalsContact O-N 3.11Å; F612-L616 HydrophobicContact CD1-CD1 4.12Å; F612-L616 HydrophobicContact CE1-CD1 3.58Å; F612-L616 HydrophobicContact CE1-CG 4.25Å; F612-L616 HydrophobicContact CE2-CD1 4.37Å; F612-L616 HydrophobicContact CE2-CD2 4.24Å; F612-L616 HydrophobicContact CE2-CG 4.19Å; F612-L616 HydrophobicContact CZ-CD1 3.72Å; F612-L616 HydrophobicContact CZ-CD2 4.12Å; F612-L616 HydrophobicContact CZ-CG 4.01Å; F612-L616 PolarHBondContact O-N 3.06Å; F612-V625 HydrophobicContact CZ-CG1 4.48Å; F612-F654 HydrophobicContact CD2-CE1 4.33Å; F612-F654 HydrophobicContact CD2-CZ 4.37Å; F612-F654 HydrophobicContact CE2-CE1 4.45Å
613A95.8Very high94.9Very high55 Ų5564.9 Ų64.946%0.45530%0.304SS..Hα-helixtrans-59.5-35.5174.400000112.2R609 A611R609-A613 WeakPolarHBondContact O-CB 3.23Å; R609-A613 PolarHBondContact O-N 3Å; A611-A613 PolarHBondContact O-N 2.9Å
614T95.9Very high94.9Very high40 Ų4064.1 Ų64.125%0.24530%0.3CS..Hα-helixtrans-70-41.5174.6-61.80000111.9F603 R610 A611 F612 L616 R617F603-T614 HydrophobicContact CE1-CG2 3.86Å; F603-T614 HydrophobicContact CZ-CG2 4.31Å; R610-T614 WeakPolarHBondContact O-CB 3.37Å; R610-T614 PolarHBondContact O-N 2.95Å; R610-T614 VanDerWaalsContact O-N 3.12Å; R610-T614 PolarHBondContact O-OG1 2.78Å; A611-T614 WeakPolarHBondContact O-CA 3.11Å; A611-T614 WeakPolarHBondContact O-CB 3.47Å; A611-T614 PolarHBondContact O-N 2.82Å; F612-T614 PolarHBondContact O-N 3.24Å; T614-L616 PolarHBondContact O-N 3.38Å; T614-R617 PolarHBondContact O-N 2.99Å; T614-R617 PolarHBondContact OG1-NH2 3.4Å; T614-R617 VanDerWaalsContact OG1-NH2 3.1Å
615C95.8Very high94.9Very high0 Ų060.9 Ų60.90%028%0.283CS..Hα-helixtrans-58.4-46.6176.4-64.50000111.5A611 F612 R617 S618 C621 F654A611-C615 PolarHBondContact O-N 3.34Å; A611-C615 PolarHBondContact O-SG 3.18Å; F612-C615 WeakPolarHBondContact O-CB 3.45Å; F612-C615 PolarHBondContact O-N 3.03Å; F612-C615 VanDerWaalsContact O-N 3.11Å; C615-R617 PolarHBondContact O-N 3.14Å; C615-R617 VanDerWaalsContact O-N 3.16Å; C615-S618 VanDerWaalsContact O-CB 3.31Å; C615-S618 WeakPolarHBondContact O-CB 3.42Å; C615-S618 PolarHBondContact O-N 2.97Å; C615-C621 WeakPolarHBondContact O-CB 3.24Å; C615-F654 HydrophobicContact CB-CE2 4.11Å; C615-F654 HydrophobicContact CB-CZ 4.4Å; C615-F654 VanDerWaalsContact SG-CE2 3.53Å
616L95.1Very high95Very high36 Ų3660.3 Ų60.319%0.18828%0.283CS..Hα-helixtrans-64.2-18.1-179.4-70.3-179.4000114.3F612 T614 S618 V625F612-L616 HydrophobicContact CD1-CD1 4.12Å; F612-L616 HydrophobicContact CE1-CD1 3.58Å; F612-L616 HydrophobicContact CE1-CG 4.25Å; F612-L616 HydrophobicContact CE2-CD1 4.37Å; F612-L616 HydrophobicContact CE2-CD2 4.24Å; F612-L616 HydrophobicContact CE2-CG 4.19Å; F612-L616 HydrophobicContact CZ-CD1 3.72Å; F612-L616 HydrophobicContact CZ-CD2 4.12Å; F612-L616 HydrophobicContact CZ-CG 4.01Å; F612-L616 PolarHBondContact O-N 3.06Å; T614-L616 PolarHBondContact O-N 3.38Å; L616-S618 PolarHBondContact O-N 3.5Å; L616-V625 HydrophobicContact CD2-CB 4.27Å; L616-V625 HydrophobicContact CD2-CG1 4.14Å; L616-V625 HydrophobicContact CD2-CG2 4.42Å
617R95.6Very high95.1Very high190 Ų19055.4 Ų55.472%0.71727%0.267SS*.THydrogen-bonded Turntrans-72.1-16.9171.7-67.7-174.2-67.1-161.7-4.5113.2T614 C615T614-R617 PolarHBondContact O-N 2.99Å; T614-R617 PolarHBondContact OG1-NH2 3.4Å; T614-R617 VanDerWaalsContact OG1-NH2 3.1Å; C615-R617 PolarHBondContact O-N 3.14Å; C615-R617 VanDerWaalsContact O-N 3.16Å
618S95.9Very high94.9Very high31 Ų3161 Ų6122%0.21728%0.283CS..SBendtrans-83.4119.7173.31770000109.2F599 C615 L616 F620 C621 E622F599-S618 WeakPolarHBondContact CE2-OG 3.44Å; F599-S618 WeakPolarHBondContact CZ-OG 3.09Å; C615-S618 VanDerWaalsContact O-CB 3.31Å; C615-S618 WeakPolarHBondContact O-CB 3.42Å; C615-S618 PolarHBondContact O-N 2.97Å; L616-S618 PolarHBondContact O-N 3.5Å; S618-F620 PolarHBondContact O-N 3.39Å; S618-F620 VanDerWaalsContact O-N 3.16Å; S618-C621 PolarHBondContact O-N 3.27Å; S618-E622 PolarHBondContact O-N 3.09Å
619P94.8Very high94.4Very high88 Ų8862.7 Ų62.757%0.57130%0.301SS*.Hα-helixtrans-59.4-32.6-179.824.1-33.3000111.4E622 E623P619-E622 PolarHBondContact O-N 2.99Å; P619-E623 WeakPolarHBondContact O-CB 3.41Å; P619-E623 WeakPolarHBondContact O-CG 3.33Å; P619-E623 PolarHBondContact O-N 3.38Å
620F94.5Very high94Very high83 Ų8357.8 Ų57.836%0.36429%0.289SS..Hα-helixtrans-69.4-35.9178.2-170.4-93.5000112.8G598 F599 S618 I624G598-F620 WeakPolarHBondContact O-CE1 3.33Å; F599-F620 HydrophobicContact CB-CD1 3.73Å; F599-F620 HydrophobicContact CB-CE1 3.86Å; F599-F620 AromaticContact CD2-CD1 3.55Å; F599-F620 HydrophobicContact CD2-CD1 3.55Å; F599-F620 HydrophobicContact CD2-CE1 4.26Å; F599-F620 HydrophobicContact CD2-CG 4.46Å; F599-F620 AromaticContact CG-CD1 3.98Å; F599-F620 HydrophobicContact CG-CD1 3.98Å; S618-F620 PolarHBondContact O-N 3.39Å; S618-F620 VanDerWaalsContact O-N 3.16Å; F620-I624 HydrophobicContact CD1-CD1 3.99Å; F620-I624 HydrophobicContact CE1-CD1 3.66Å; F620-I624 HydrophobicContact CZ-CD1 4.4Å; F620-I624 WeakPolarHBondContact O-CG1 3.42Å; F620-I624 PolarHBondContact O-N 2.72Å
621C95.9Very high93.8Very high0 Ų057.3 Ų57.30%029%0.292CS..Hα-helixtrans-73.2-41174.4-169.70000111.1F599 C615 S618 E623 I624 V625F599-C621 HydrophobicContact CD1-CB 3.48Å; F599-C621 VanDerWaalsContact CD1-CB 3.48Å; F599-C621 HydrophobicContact CE1-CB 3.59Å; F599-C621 HydrophobicContact CG-CB 4.04Å; F599-C621 HydrophobicContact CZ-CB 4.23Å; C615-C621 WeakPolarHBondContact O-CB 3.24Å; S618-C621 PolarHBondContact O-N 3.27Å; C621-E623 VanDerWaalsContact C-N 3.32Å; C621-E623 PolarHBondContact O-N 3.5Å; C621-I624 PolarHBondContact O-N 3.38Å; C621-I624 VanDerWaalsContact O-N 3.15Å; C621-V625 WeakPolarHBondContact O-CG2 3.49Å; C621-V625 PolarHBondContact O-N 2.96Å
622E95.4Very high93.7Very high100 Ų10058.3 Ų58.347%0.46730%0.298SS..Hα-helixtrans-57.9-45.2174.9-172.5-179.3-159.300110.7S618 P619 I624 V625 C626S618-E622 PolarHBondContact O-N 3.09Å; P619-E622 PolarHBondContact O-N 2.99Å; E622-I624 VanDerWaalsContact C-N 3.29Å; E622-I624 PolarHBondContact O-N 2.61Å; E622-V625 PolarHBondContact O-N 3.45Å; E622-C626 WeakPolarHBondContact O-CA 3.22Å; E622-C626 WeakPolarHBondContact O-CB 3.21Å; E622-C626 PolarHBondContact O-N 2.91Å
623E94.6Very high93.7Very high99 Ų9962.7 Ų62.746%0.46331%0.314SS..Hα-helixtrans-56.6-38.8174-81-179.4-151.900113.6K597 P619 C621 C627K597-E623 IonicContact NZ-OE2 3.75Å; K597-E623 PolarHBondContact NZ-OE2 3.42Å; P619-E623 WeakPolarHBondContact O-CB 3.41Å; P619-E623 WeakPolarHBondContact O-CG 3.33Å; P619-E623 PolarHBondContact O-N 3.38Å; C621-E623 VanDerWaalsContact C-N 3.32Å; C621-E623 PolarHBondContact O-N 3.5Å; E623-C627 VanDerWaalsContact O-CA 3.29Å; E623-C627 WeakPolarHBondContact O-CA 3.44Å; E623-C627 WeakPolarHBondContact O-CB 3.26Å; E623-C627 PolarHBondContact O-N 3.4Å; E623-C627 VanDerWaalsContact O-N 3.11Å
624I96.1Very high93.8Very high1 Ų160.3 Ų60.31%0.00529%0.293CS..Hα-helixtrans-71.1-50178-69.9171.1000110.2K597 F599 F620 C621 E622 C627 F654 C656K597-I624 HydrophobicContact CB-CD1 3.96Å; K597-I624 HydrophobicContact CB-CG1 3.71Å; K597-I624 HydrophobicContact CD-CG1 4.37Å; F599-I624 HydrophobicContact CB-CD1 3.61Å; F620-I624 HydrophobicContact CD1-CD1 3.99Å; F620-I624 HydrophobicContact CE1-CD1 3.66Å; F620-I624 HydrophobicContact CZ-CD1 4.4Å; F620-I624 WeakPolarHBondContact O-CG1 3.42Å; F620-I624 PolarHBondContact O-N 2.72Å; C621-I624 PolarHBondContact O-N 3.38Å; C621-I624 VanDerWaalsContact O-N 3.15Å; E622-I624 VanDerWaalsContact C-N 3.29Å; E622-I624 PolarHBondContact O-N 2.61Å; I624-C627 WeakPolarHBondContact O-CB 3.18Å; I624-C627 PolarHBondContact O-N 2.84Å; I624-F654 HydrophobicContact CG2-CB 4.19Å; I624-C656 HydrophobicContact CG2-CB 4.06Å
625V95.3Very high93.9Very high1 Ų158.4 Ų58.41%0.00628%0.282CS..Hα-helixtrans-67.3-37.9-176.7172.10000111.2V539 R543 F612 L616 C621 E622 C627 F654V539-V625 HydrophobicContact CG1-CG1 4.31Å; R543-V625 VanDerWaalsContact CD-O 3.32Å; R543-V625 WeakPolarHBondContact CD-O 3.49Å; R543-V625 WeakPolarHBondContact CG-O 3.43Å; R543-V625 PolarHBondContact NH1-O 2.93Å; F612-V625 HydrophobicContact CZ-CG1 4.48Å; L616-V625 HydrophobicContact CD2-CB 4.27Å; L616-V625 HydrophobicContact CD2-CG1 4.14Å; L616-V625 HydrophobicContact CD2-CG2 4.42Å; C621-V625 WeakPolarHBondContact O-CG2 3.49Å; C621-V625 PolarHBondContact O-N 2.96Å; E622-V625 PolarHBondContact O-N 3.45Å; V625-C627 VanDerWaalsContact C-N 3.34Å; V625-F654 HydrophobicContact CG2-CD1 4.08Å
626C94.9Very high94Very high28 Ų2858.6 Ų58.619%0.18928%0.283CS..THydrogen-bonded Turntrans-94.211.7179.4-60.10000112.7L546 E622 R628L546-C626 HydrophobicContact CD1-CB 4.46Å; L546-C626 VanDerWaalsContact CD1-SG 3.59Å; E622-C626 WeakPolarHBondContact O-CA 3.22Å; E622-C626 WeakPolarHBondContact O-CB 3.21Å; E622-C626 PolarHBondContact O-N 2.91Å; C626-R628 PolarHBondContact O-N 3.43Å
627C93.3Very high94.1Very high11 Ų1159.3 Ų59.37%0.07428%0.283CS..  trans-54.2131.6-176.9-177.40000111.6R543 E623 I624 V625 V632 C656 Y658R543-C627 PolarHBondContact NH1-O 2.88Å; R543-C627 VanDerWaalsContact NH1-O 3.13Å; R543-C627 PolarHBondContact NH2-O 3.44Å; E623-C627 VanDerWaalsContact O-CA 3.29Å; E623-C627 WeakPolarHBondContact O-CA 3.44Å; E623-C627 WeakPolarHBondContact O-CB 3.26Å; E623-C627 PolarHBondContact O-N 3.4Å; E623-C627 VanDerWaalsContact O-N 3.11Å; I624-C627 WeakPolarHBondContact O-CB 3.18Å; I624-C627 PolarHBondContact O-N 2.84Å; V625-C627 VanDerWaalsContact C-N 3.34Å; C627-V632 HydrophobicContact CB-CG1 4.37Å; C627-C656 HydrophobicContact CB-CB 4.43Å; C627-Y658 WeakPolarHBondContact SG-CD1 3.43Å
628R89.8Confident94.2Very high182 Ų18250.3 Ų50.369%0.68725%0.249SC*.  trans-118.8143176.1-59-177178.8-162.9-7.3109L548 C626L548-R628 HydrophobicContact CD2-CG 3.89Å; C626-R628 PolarHBondContact O-N 3.43Å
629G83.6Confident94.3Very high39 Ų3953 Ų5340%0.40226%0.255SS..SBendtrans157.6-177.9178.700000111.7V632G629-V632 WeakPolarHBondContact O-CG2 3.5Å
630D84.6Confident94.5Very high86 Ų8649.1 Ų49.146%0.4623%0.229SC..EExtended strand (participates in β ladder)trans-79.2141.9174-72.1-19.1000110.2V632 R659 V661D630-V632 PolarHBondContact O-N 3.49Å; D630-R659 HydrophobicContact CB-CB 4.22Å; D630-R659 PolarHBondContact O-N 2.76Å; D630-V661 HydrophobicContact CB-CG2 4.45Å
631H89.5Confident94.6Very high118 Ų11847.2 Ų47.255%0.54622%0.221SC..EExtended strand (participates in β ladder)trans55.134.6176.2-53.284.3000114.2R633H631-R633 PolarHBondContact O-N 3.29Å
632V94.5Very high94.6Very high20 Ų2049.3 Ų49.312%0.12123%0.233CC..EExtended strand (participates in β ladder)trans-61.3123.6175.5178.40000109.9C627 G629 D630 K657C627-V632 HydrophobicContact CB-CG1 4.37Å; G629-V632 WeakPolarHBondContact O-CG2 3.5Å; D630-V632 PolarHBondContact O-N 3.49Å; V632-K657 WeakPolarHBondContact CA-O 3.36Å
633R96.1Very high94.7Very high108 Ų10845.3 Ų45.341%0.40821%0.214SC..EExtended strand (participates in β ladder)trans-124.6128.2173.6-62.6-63.5179.7143.3-3.4109V551 D553 H631 C656 K657V551-R633 WeakPolarHBondContact O-CA 3.35Å; D553-R633 HydrophobicContact CB-CB 4.03Å; H631-R633 PolarHBondContact O-N 3.29Å; R633-C656 CarbonylContact O-C 3.5Å; R633-C656 VanDerWaalsContact O-CA 3.22Å; R633-C656 WeakPolarHBondContact O-CA 3.35Å; R633-K657 HydrophobicContact CB-CG 3.81Å; R633-K657 HydrophobicContact CG-CG 4.41Å; R633-K657 PolarHBondContact N-O 3.09Å; R633-K657 PolarHBondContact O-N 3.4Å
634L97.8Very high94.7Very high5 Ų540.8 Ų40.83%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-101.8146.6-179.5-68.5162.5000110.5V539 T550 V551 W552 D553 C656V539-L634 HydrophobicContact CG1-CD1 4.37Å; T550-L634 HydrophobicContact CG2-CD1 4.03Å; V551-L634 PolarHBondContact O-N 3.08Å; W552-L634 CarbonylContact C-O 3.46Å; W552-L634 WeakPolarHBondContact CA-O 3.31Å; W552-L634 HydrophobicContact CE3-CB 3.95Å; W552-L634 HydrophobicContact CH2-CB 4.47Å; W552-L634 HydrophobicContact CZ3-CB 3.88Å; D553-L634 PolarHBondContact N-O 3.01Å; L634-C656 HydrophobicContact CD2-CB 3.89Å
635A97.9Very high94.6Very high1 Ų142 Ų421%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-136.4135.9172.500000108.9L556 S557 L560 A655L556-A635 HydrophobicContact CB-CB 3.9Å; L556-A635 HydrophobicContact CD2-CB 3.75Å; L556-A635 HydrophobicContact CG-CB 3.65Å; S557-A635 WeakPolarHBondContact OG-CA 3.24Å; L560-A635 HydrophobicContact CD1-CB 4.12Å; A635-A655 HydrophobicContact CB-CB 4.32Å; A635-A655 PolarHBondContact N-O 3.25Å; A635-A655 PolarHBondContact O-N 3.24Å
636V98Very high94.5Very high3 Ų344.4 Ų44.42%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-128.5135.81681680000107.1M535 R536 W552 S557 V638 M653 F654M535-V636 HydrophobicContact CB-CG1 3.95Å; R536-V636 HydrophobicContact CG-CB 4.47Å; W552-V636 HydrophobicContact CH2-CB 4.39Å; W552-V636 HydrophobicContact CH2-CG2 3.91Å; W552-V636 HydrophobicContact CZ3-CB 3.98Å; W552-V636 HydrophobicContact CZ3-CG2 3.74Å; S557-V636 WeakPolarHBondContact CB-O 3.24Å; S557-V636 PolarHBondContact OG-N 3.46Å; S557-V636 VanDerWaalsContact OG-N 3.09Å; S557-V636 PolarHBondContact OG-O 3.14Å; V636-V638 HydrophobicContact CG1-CG2 4.28Å; V636-M653 WeakPolarHBondContact CA-O 3.44Å; V636-F654 HydrophobicContact CG2-CD1 3.45Å; V636-F654 VanDerWaalsContact CG2-CD1 3.45Å; V636-F654 HydrophobicContact CG2-CE1 3.76Å; V636-F654 HydrophobicContact CG2-CG 4.24Å
637R98.1Very high94.5Very high52 Ų5243.6 Ų43.620%0.19621%0.207CC..EExtended strand (participates in β ladder)trans-130.6136.3171.1-167.165.7177155-6.6109.6E532 S557 L560 S561 L564 M652 M653E532-R637 IonicContact OE1-NH1 3.37Å; E532-R637 PolarHBondContact OE1-NH1 3.06Å; E532-R637 VanDerWaalsContact OE2-CD 3.26Å; E532-R637 WeakPolarHBondContact OE2-CD 3.38Å; E532-R637 IonicContact OE2-CZ 2.73Å; E532-R637 IonicContact OE2-NE 3.48Å; E532-R637 IonicContact OE2-NH1 2.69Å; E532-R637 PolarHBondContact OE2-NH1 3.29Å; S557-R637 WeakPolarHBondContact O-CB 3.19Å; S557-R637 WeakPolarHBondContact O-CD 3.49Å; S557-R637 WeakPolarHBondContact O-CG 3.48Å; L560-R637 HydrophobicContact CB-CB 3.67Å; L560-R637 HydrophobicContact CB-CG 4.22Å; L560-R637 HydrophobicContact CD1-CB 4.05Å; L560-R637 HydrophobicContact CG-CB 4.4Å; S561-R637 PolarHBondContact OG-NE 3.36Å; L564-R637 HydrophobicContact CD1-CB 4.18Å; L564-R637 HydrophobicContact CD1-CG 4.1Å; L564-R637 WeakPolarHBondContact CD1-O 3.32Å; R637-M652 WeakPolarHBondContact O-CA 3.28Å; R637-M653 PolarHBondContact N-O 2.79Å; R637-M653 VanDerWaalsContact N-O 3.08Å; R637-M653 PolarHBondContact O-N 3.19Å
638V98.3Very high94.6Very high1 Ų143.3 Ų43.31%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-121.6135174.4-176.60000109.4L531 E532 M535 V636 V640 V650 W651 M652L531-V638 HydrophobicContact CB-CG1 4.13Å; L531-V638 HydrophobicContact CD2-CG1 3.91Å; L531-V638 HydrophobicContact CG-CG1 3.98Å; E532-V638 HydrophobicContact CB-CB 4.05Å; E532-V638 HydrophobicContact CB-CG2 3.97Å; E532-V638 HydrophobicContact CG-CG2 4.44Å; E532-V638 PolarHBondContact OE2-N 2.86Å; E532-V638 VanDerWaalsContact OE2-N 3.08Å; M535-V638 HydrophobicContact CG-CG2 4.38Å; V636-V638 HydrophobicContact CG1-CG2 4.28Å; V638-V640 HydrophobicContact CG1-CG2 4.31Å; V638-V650 HydrophobicContact CG1-CG1 4.19Å; V638-W651 CarbonylContact C-O 3.57Å; V638-W651 WeakPolarHBondContact CA-O 3.47Å; V638-M652 HydrophobicContact CG1-CG 4.2Å; V638-M652 HydrophobicContact CG2-CB 4.48Å; V638-M652 HydrophobicContact CG2-CG 4.04Å
639R97.8Very high95Very high88 Ų8834.7 Ų34.733%0.33217%0.173SC..EExtended strand (participates in β ladder)trans-129.9120.6169.9-73.3-162.166.6149.47110.1L564 S565 F641 W651L564-R639 HydrophobicContact CB-CB 4.23Å; L564-R639 HydrophobicContact CB-CG 4.17Å; L564-R639 HydrophobicContact CD1-CB 4.17Å; L564-R639 HydrophobicContact CD1-CG 4.09Å; S565-R639 PolarHBondContact OG-NH1 2.84Å; R639-F641 HydrophobicContact CB-CD2 4.5Å; R639-F641 HydrophobicContact CB-CE2 3.75Å; R639-F641 HydrophobicContact CB-CZ 4.18Å; R639-W651 PolarHBondContact N-O 3.3Å; R639-W651 PolarHBondContact O-N 3.34Å
640V98Very high95.7Very high6 Ų632.8 Ų32.84%0.03615%0.154CC..EExtended strand (participates in β ladder)trans-101121.5174.1-177.60000108.4P524 V527 S528 L531 V638 V642 C648 V650P524-V640 WeakPolarHBondContact CB-O 3.48Å; V527-V640 HydrophobicContact CG1-CB 4.49Å; V527-V640 HydrophobicContact CG1-CG1 4.3Å; V527-V640 HydrophobicContact CG1-CG2 4.11Å; S528-V640 WeakPolarHBondContact OG-CB 3.15Å; S528-V640 PolarHBondContact OG-N 3.23Å; L531-V640 HydrophobicContact CD2-CG2 4.39Å; V638-V640 HydrophobicContact CG1-CG2 4.31Å; V640-V642 HydrophobicContact CG1-CG1 4.37Å; V640-C648 HydrophobicContact CG1-CB 3.95Å; V640-V650 HydrophobicContact CG1-CG2 4.32Å; V640-V650 HydrophobicContact CG2-CG1 4.22Å; V640-V650 HydrophobicContact CG2-CG2 4.15Å
641F97.2Very high96.3Very high42 Ų4229.6 Ų29.618%0.18414%0.135CC..EExtended strand (participates in β ladder)trans-103.7124.6171.8-59-97.5000108E568 R639 Y643 C648 A649 W651E568-F641 HydrophobicContact CB-CD1 4.29Å; E568-F641 HydrophobicContact CB-CD2 3.93Å; E568-F641 HydrophobicContact CB-CE1 4.06Å; E568-F641 HydrophobicContact CB-CE2 3.68Å; E568-F641 HydrophobicContact CB-CG 4.23Å; E568-F641 HydrophobicContact CB-CZ 3.75Å; E568-F641 HydrophobicContact CG-CB 4.21Å; E568-F641 HydrophobicContact CG-CD1 3.85Å; E568-F641 HydrophobicContact CG-CD2 3.82Å; E568-F641 HydrophobicContact CG-CE1 4.12Å; E568-F641 HydrophobicContact CG-CE2 4.09Å; E568-F641 HydrophobicContact CG-CG 3.69Å; E568-F641 HydrophobicContact CG-CZ 4.24Å; R639-F641 HydrophobicContact CB-CD2 4.5Å; R639-F641 HydrophobicContact CB-CE2 3.75Å; R639-F641 HydrophobicContact CB-CZ 4.18Å; F641-Y643 HydrophobicContact CB-CE2 4.2Å; F641-C648 CarbonylContact O-C 3.56Å; F641-C648 WeakPolarHBondContact O-CA 3.24Å; F641-C648 WeakPolarHBondContact O-CB 3.4Å; F641-A649 HydrophobicContact CB-CB 4.31Å; F641-A649 PolarHBondContact N-O 3.1Å; F641-A649 PolarHBondContact O-N 3.01Å; F641-W651 AromaticContact CD2-CD1 3.77Å; F641-W651 AromaticContact CE2-CD1 3.67Å; F641-W651 HydrophobicContact CE2-CG 4.43Å
642V96.1Very high96.7Very high44 Ų4424 Ų2427%0.26711%0.109SC..EExtended strand (participates in β ladder)trans-96.8143.2-176.7-570000110.6L522 P524 V640L522-V642 HydrophobicContact CB-CG1 3.97Å; P524-V642 HydrophobicContact CB-CG1 4.28Å; P524-V642 HydrophobicContact CG-CB 4.26Å; P524-V642 HydrophobicContact CG-CG1 3.78Å; P524-V642 HydrophobicContact CG-CG2 3.56Å; V640-V642 HydrophobicContact CG1-CG1 4.37Å
643Y96.8Very high96.9Very high16 Ų1623.2 Ų23.26%0.06310%0.104CC..  trans-127.5173.7177.9-75.2-91000109L336 Q341 R344 F345 L348 S520 E568 C572 F641 A647 A649L336-Y643 HydrophobicContact CD2-CD1 4.23Å; Q341-Y643 HydrophobicContact CG-CE1 3.84Å; R344-Y643 HydrophobicContact CG-CE1 4.35Å; R344-Y643 WeakPolarHBondContact CG-OH 3.46Å; F345-Y643 HydrophobicContact CB-CD1 3.82Å; F345-Y643 HydrophobicContact CB-CE1 4.4Å; F345-Y643 HydrophobicContact CB-CG 4.46Å; L348-Y643 HydrophobicContact CD1-CD1 4.5Å; L348-Y643 HydrophobicContact CD1-CD2 3.22Å; L348-Y643 HydrophobicContact CD1-CE2 3.28Å; L348-Y643 HydrophobicContact CD1-CG 3.87Å; S520-Y643 WeakPolarHBondContact CB-O 3.36Å; E568-Y643 PolarHBondContact OE1-OH 3.14Å; C572-Y643 PolarHBondContact SG-OH 3.23Å; F641-Y643 HydrophobicContact CB-CE2 4.2Å; Y643-A647 PolarHBondContact N-O 3.44Å; Y643-A649 HydrophobicContact CE2-CB 4.37Å
644P95.9Very high97Very high4 Ų418.2 Ų18.23%0.0269%0.086CC..G310 helixtrans-52.5159.5175.2-28.338.4000113.1L335 L336 F345 L517 C518 N646 A647L335-P644 HydrophobicContact CB-CG 3.83Å; L335-P644 HydrophobicContact CD1-CG 4.37Å; L336-P644 HydrophobicContact CD2-CG 4.13Å; L336-P644 HydrophobicContact CG-CG 4.14Å; F345-P644 HydrophobicContact CD2-CB 4.48Å; F345-P644 HydrophobicContact CE2-CB 3.97Å; F345-P644 HydrophobicContact CE2-CG 4.46Å; F345-P644 VanDerWaalsContact CE2-O 3.29Å; F345-P644 WeakPolarHBondContact CE2-O 3.24Å; F345-P644 HydrophobicContact CZ-CB 4.03Å; L517-P644 HydrophobicContact CB-CB 4.17Å; L517-P644 HydrophobicContact CD1-CB 4.13Å; L517-P644 HydrophobicContact CD1-CG 4.24Å; C518-P644 WeakPolarHBondContact O-CA 3.4Å; P644-N646 PolarHBondContact O-N 3.19Å; P644-N646 VanDerWaalsContact O-N 3.16Å; P644-A647 WeakPolarHBondContact O-CB 3.31Å; P644-A647 PolarHBondContact O-N 3.44Å; P644-A647 VanDerWaalsContact O-N 3.07Å
645E93.9Very high97Very high28 Ų2818 Ų1813%0.1319%0.085CC..G310 helixtrans59.222.5-179.7-49.9-57.6140.500115R149 F345 L373 L517 C518 A647R149-E645 IonicContact CZ-OE1 3.66Å; R149-E645 IonicContact CZ-OE2 2.94Å; R149-E645 IonicContact NH1-OE1 3.29Å; R149-E645 PolarHBondContact NH1-OE1 2.94Å; R149-E645 IonicContact NH1-OE2 2.82Å; R149-E645 PolarHBondContact NH1-OE2 3.26Å; R149-E645 IonicContact NH2-OE1 2.76Å; R149-E645 IonicContact NH2-OE2 3.27Å; R149-E645 PolarHBondContact NH2-OE2 2.95Å; F345-E645 HydrophobicContact CZ-CG 4.3Å; L373-E645 HydrophobicContact CB-CG 4.24Å; L373-E645 HydrophobicContact CD2-CG 3.99Å; L373-E645 HydrophobicContact CG-CG 4.45Å; L517-E645 VanDerWaalsContact CA-OE1 3.32Å; L517-E645 WeakPolarHBondContact CA-OE1 3.38Å; L517-E645 HydrophobicContact CD2-CG 4.3Å; C518-E645 PolarHBondContact N-OE1 3.17Å; C518-E645 PolarHBondContact O-N 3.34Å; E645-A647 PolarHBondContact O-N 3Å
646N92.8Very high96.9Very high50 Ų5018 Ų1827%0.2678%0.084SC..G310 helixtrans60.217.4-172.2-46.8-68.4000114.1S520 S521 L522 P644S520-N646 PolarHBondContact OG-OD1 3.27Å; S521-N646 PolarHBondContact N-OD1 3.45Å; S521-N646 PolarHBondContact OG-OD1 2.99Å; L522-N646 HydrophobicContact CD1-CB 4.19Å; L522-N646 HydrophobicContact CG-CB 4.44Å; P644-N646 PolarHBondContact O-N 3.19Å; P644-N646 VanDerWaalsContact O-N 3.16Å
647A95.4Very high96.8Very high11 Ų1119.2 Ų19.29%0.0919%0.09CC..  trans-61.5146.7167.500000109.3F345 L348 L349 Y643 P644 E645F345-A647 HydrophobicContact CD2-CB 4.1Å; F345-A647 HydrophobicContact CE2-CB 3.97Å; L348-A647 HydrophobicContact CB-CB 4.37Å; L349-A647 HydrophobicContact CD2-CB 4.14Å; Y643-A647 PolarHBondContact N-O 3.44Å; P644-A647 WeakPolarHBondContact O-CB 3.31Å; P644-A647 PolarHBondContact O-N 3.44Å; P644-A647 VanDerWaalsContact O-N 3.07Å; E645-A647 PolarHBondContact O-N 3Å
648C95.3Very high96.5Very high6 Ų618.2 Ų18.24%0.0419%0.086CC..EExtended strand (participates in β ladder)trans-147.4148.1-178.664.50000112.9V640 F641V640-C648 HydrophobicContact CG1-CB 3.95Å; F641-C648 CarbonylContact O-C 3.56Å; F641-C648 WeakPolarHBondContact O-CA 3.24Å; F641-C648 WeakPolarHBondContact O-CB 3.4Å
649A97.4Very high96.1Very high0 Ų024.5 Ų24.50%011%0.109CC..EExtended strand (participates in β ladder)trans-101.8114.116500000107.9L348 E568 F641 Y643L348-A649 HydrophobicContact CD1-CB 3.98Å; L348-A649 HydrophobicContact CD2-CB 3.8Å; E568-A649 WeakPolarHBondContact OE2-CB 3.29Å; F641-A649 HydrophobicContact CB-CB 4.31Å; F641-A649 PolarHBondContact N-O 3.1Å; F641-A649 PolarHBondContact O-N 3.01Å; Y643-A649 HydrophobicContact CE2-CB 4.37Å
650V97.7Very high94.9Very high0 Ų023.2 Ų23.20%011%0.114CC..EExtended strand (participates in β ladder)trans-102.9104.8179.7-177.80000108.7L531 H602 F603 H605 R606 V638 V640 M652L531-V650 HydrophobicContact CD2-CG1 3.55Å; H602-V650 CarbonylContact C-O 3.58Å; H602-V650 WeakPolarHBondContact CA-O 3.25Å; F603-V650 HydrophobicContact CB-CB 4.27Å; F603-V650 PolarHBondContact N-O 3.05Å; F603-V650 PolarHBondContact O-N 2.9Å; H605-V650 WeakPolarHBondContact O-CG2 3.44Å; R606-V650 HydrophobicContact CG-CG2 3.99Å; V638-V650 HydrophobicContact CG1-CG1 4.19Å; V640-V650 HydrophobicContact CG1-CG2 4.32Å; V640-V650 HydrophobicContact CG2-CG1 4.22Å; V640-V650 HydrophobicContact CG2-CG2 4.15Å; V650-M652 HydrophobicContact CG1-CE 3.47Å; V650-M652 VanDerWaalsContact CG1-CE 3.47Å; V650-M652 HydrophobicContact CG1-CG 4.25Å
651W98.1Very high93.3Very high18 Ų1827.6 Ų27.67%0.06814%0.14CC..EExtended strand (participates in β ladder)trans-95.2132.2174.5-73.496.1000110.4L564 Y567 E568 R571 H602 V638 R639 F641L564-W651 HydrophobicContact CB-CB 4.16Å; L564-W651 HydrophobicContact CD1-CB 4.27Å; L564-W651 HydrophobicContact CD2-CB 3.91Å; L564-W651 HydrophobicContact CG-CB 4.32Å; Y567-W651 HydrophobicContact CD2-CE3 4.08Å; Y567-W651 HydrophobicContact CD2-CZ3 4.07Å; Y567-W651 HydrophobicContact CG-CE3 4.44Å; Y567-W651 HydrophobicContact CG-CH2 4.42Å; Y567-W651 HydrophobicContact CG-CZ3 4.14Å; E568-W651 PolarHBondContact OE2-NE1 2.81Å; R571-W651 HydrophobicContact CG-CZ2 4.07Å; H602-W651 HydrophobicContact CB-CD2 3.98Å; H602-W651 HydrophobicContact CB-CE3 3.75Å; H602-W651 HydrophobicContact CB-CH2 3.78Å; H602-W651 HydrophobicContact CB-CZ2 4Å; H602-W651 HydrophobicContact CB-CZ3 3.65Å; H602-W651 AromaticContact CD2-CE2 3.59Å; H602-W651 AromaticContact CD2-CZ2 3.88Å; H602-W651 AromaticContact CD2-NE1 3.67Å; V638-W651 CarbonylContact C-O 3.57Å; V638-W651 WeakPolarHBondContact CA-O 3.47Å; R639-W651 PolarHBondContact N-O 3.3Å; R639-W651 PolarHBondContact O-N 3.34Å; F641-W651 AromaticContact CD2-CD1 3.77Å; F641-W651 AromaticContact CE2-CD1 3.67Å; F641-W651 HydrophobicContact CE2-CG 4.43Å
652M97.9Very high91.1Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-128.6142.9175.4-52.4-177.9-179.500108.9L531 M535 P600 I601 F603 A611 R637 V638 V650 F654L531-M652 HydrophobicContact CD1-CE 4.24Å; L531-M652 HydrophobicContact CD2-CE 3.59Å; L531-M652 HydrophobicContact CG-CE 3.92Å; M535-M652 HydrophobicContact CE-CE 3.74Å; M535-M652 HydrophobicContact CE-SD 3.62Å; M535-M652 HydrophobicContact CG-SD 4.37Å; M535-M652 HydrophobicContact SD-SD 4.22Å; P600-M652 CarbonylContact C-O 3.6Å; P600-M652 WeakPolarHBondContact CA-O 3.41Å; I601-M652 HydrophobicContact CG2-CB 3.94Å; I601-M652 PolarHBondContact N-O 3.3Å; I601-M652 PolarHBondContact O-N 3.47Å; F603-M652 HydrophobicContact CD2-CE 4.01Å; F603-M652 HydrophobicContact CD2-CG 4.39Å; F603-M652 HydrophobicContact CD2-SD 3.94Å; F603-M652 HydrophobicContact CE2-CE 4.37Å; F603-M652 HydrophobicContact CE2-CG 4.49Å; F603-M652 HydrophobicContact CE2-SD 3.79Å; A611-M652 HydrophobicContact CB-CE 3.81Å; A611-M652 HydrophobicContact CB-SD 4.1Å; R637-M652 WeakPolarHBondContact O-CA 3.28Å; V638-M652 HydrophobicContact CG1-CG 4.2Å; V638-M652 HydrophobicContact CG2-CB 4.48Å; V638-M652 HydrophobicContact CG2-CG 4.04Å; V650-M652 HydrophobicContact CG1-CE 3.47Å; V650-M652 VanDerWaalsContact CG1-CE 3.47Å; V650-M652 HydrophobicContact CG1-CG 4.25Å; M652-F654 HydrophobicContact CB-CE2 4.3Å
653M97.9Very high90.8Very high5 Ų536.3 Ų36.33%0.02519%0.186CC..EExtended strand (participates in β ladder)trans-132.5121.5170.8-169.8167.5-178.200109.9L560 A563 L564 F582 F596 F599 P600 V636 R637L560-M653 HydrophobicContact CB-CB 4.43Å; L560-M653 HydrophobicContact CB-SD 4.17Å; L560-M653 HydrophobicContact CD1-CB 4.09Å; L560-M653 HydrophobicContact CD1-CG 4.04Å; L560-M653 HydrophobicContact CD1-SD 4.48Å; L560-M653 HydrophobicContact CD2-CE 4.08Å; L560-M653 HydrophobicContact CD2-CG 4.37Å; L560-M653 HydrophobicContact CD2-SD 3.84Å; L560-M653 HydrophobicContact CG-SD 4.36Å; A563-M653 HydrophobicContact CB-SD 4.21Å; L564-M653 HydrophobicContact CD1-CB 4.44Å; L564-M653 HydrophobicContact CD2-CB 3.77Å; L564-M653 HydrophobicContact CG-CB 4.31Å; F582-M653 HydrophobicContact CE1-CE 4.44Å; F582-M653 HydrophobicContact CZ-CE 3.94Å; F582-M653 HydrophobicContact CZ-SD 4.43Å; F596-M653 HydrophobicContact CZ-CE 4.32Å; F599-M653 WeakPolarHBondContact O-CA 3.24Å; P600-M653 HydrophobicContact CB-CG 4.4Å; P600-M653 HydrophobicContact CB-SD 4.47Å; V636-M653 WeakPolarHBondContact CA-O 3.44Å; R637-M653 PolarHBondContact N-O 2.79Å; R637-M653 VanDerWaalsContact N-O 3.08Å; R637-M653 PolarHBondContact O-N 3.19Å
654F98.1Very high90.5Very high3 Ų337.4 Ų37.41%0.01319%0.192CC..EExtended strand (participates in β ladder)trans-94.5132.9170.5-62.9-96.5000107.9M535 V539 G598 F599 I601 F612 C615 I624 V625 V636 M652M535-F654 HydrophobicContact SD-CE1 4.47Å; M535-F654 HydrophobicContact SD-CZ 3.88Å; V539-F654 HydrophobicContact CG2-CD1 4.2Å; V539-F654 HydrophobicContact CG2-CE1 3.77Å; G598-F654 CarbonylContact C-O 3.59Å; G598-F654 WeakPolarHBondContact CA-O 3.27Å; F599-F654 HydrophobicContact CD1-CD2 4.37Å; F599-F654 PolarHBondContact N-O 2.83Å; F599-F654 PolarHBondContact O-N 2.77Å; I601-F654 HydrophobicContact CG2-CE2 4.47Å; F612-F654 HydrophobicContact CD2-CE1 4.33Å; F612-F654 HydrophobicContact CD2-CZ 4.37Å; F612-F654 HydrophobicContact CE2-CE1 4.45Å; C615-F654 HydrophobicContact CB-CE2 4.11Å; C615-F654 HydrophobicContact CB-CZ 4.4Å; C615-F654 VanDerWaalsContact SG-CE2 3.53Å; I624-F654 HydrophobicContact CG2-CB 4.19Å; V625-F654 HydrophobicContact CG2-CD1 4.08Å; V636-F654 HydrophobicContact CG2-CD1 3.45Å; V636-F654 VanDerWaalsContact CG2-CD1 3.45Å; V636-F654 HydrophobicContact CG2-CE1 3.76Å; V636-F654 HydrophobicContact CG2-CG 4.24Å; M652-F654 HydrophobicContact CB-CE2 4.3Å
655A97.7Very high90.2Very high1 Ų139.2 Ų39.21%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-141.6154.2176.200000111.6L560 F596 K597 A635L560-A655 HydrophobicContact CD1-CB 3.93Å; L560-A655 HydrophobicContact CD2-CB 4.14Å; F596-A655 HydrophobicContact CE2-CB 3.68Å; F596-A655 HydrophobicContact CZ-CB 4.11Å; K597-A655 CarbonylContact O-C 3.55Å; K597-A655 WeakPolarHBondContact O-CA 3.37Å; K597-A655 WeakPolarHBondContact O-CB 3.5Å; A635-A655 HydrophobicContact CB-CB 4.32Å; A635-A655 PolarHBondContact N-O 3.25Å; A635-A655 PolarHBondContact O-N 3.24Å
656C96.4Very high90Very high0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-134.7149.2167690000110.1F596 K597 I624 C627 R633 L634F596-C656 WeakPolarHBondContact CA-O 3.33Å; K597-C656 PolarHBondContact N-O 3.26Å; K597-C656 PolarHBondContact O-N 3.25Å; I624-C656 HydrophobicContact CG2-CB 4.06Å; C627-C656 HydrophobicContact CB-CB 4.43Å; R633-C656 CarbonylContact O-C 3.5Å; R633-C656 VanDerWaalsContact O-CA 3.22Å; R633-C656 WeakPolarHBondContact O-CA 3.35Å; L634-C656 HydrophobicContact CD2-CB 3.89Å
657K95.1Very high89.8Confident29 Ų2939.3 Ų39.313%0.12620%0.202CC..EExtended strand (participates in β ladder)trans-120.8138.4159.169.3-179.3-168.5-160.90109.5D553 L556 A589 T595 V632 R633D553-K657 WeakPolarHBondContact OD2-CE 3.13Å; D553-K657 IonicContact OD2-NZ 3.68Å; D553-K657 PolarHBondContact OD2-NZ 3.17Å; L556-K657 HydrophobicContact CD2-CB 4.42Å; L556-K657 HydrophobicContact CD2-CD 4.28Å; L556-K657 HydrophobicContact CD2-CG 4.22Å; A589-K657 PolarHBondContact O-NZ 3Å; A589-K657 VanDerWaalsContact O-NZ 3.14Å; T595-K657 VanDerWaalsContact O-CA 3.22Å; T595-K657 WeakPolarHBondContact O-CA 3.44Å; V632-K657 WeakPolarHBondContact CA-O 3.36Å; R633-K657 HydrophobicContact CB-CG 3.81Å; R633-K657 HydrophobicContact CG-CG 4.41Å; R633-K657 PolarHBondContact N-O 3.09Å; R633-K657 PolarHBondContact O-N 3.4Å
658Y93.6Very high89.5Confident31 Ų3141.1 Ų41.112%0.12221%0.209CC..EExtended strand (participates in β ladder)trans-153156.7-17764.6-82.6000110H594 T595 K597 C627H594-Y658 CarbonylContact C-O 3.51Å; H594-Y658 VanDerWaalsContact CA-O 3.24Å; H594-Y658 WeakPolarHBondContact CA-O 3.49Å; H594-Y658 WeakPolarHBondContact CB-O 3.45Å; T595-Y658 HydrophobicContact CG2-CE1 4.04Å; T595-Y658 PolarHBondContact N-O 2.87Å; T595-Y658 PolarHBondContact O-N 3.13Å; T595-Y658 VanDerWaalsContact O-N 3.09Å; K597-Y658 HydrophobicContact CD-CE1 4.35Å; K597-Y658 WeakPolarHBondContact CE-OH 3.39Å; K597-Y658 HydrophobicContact CG-CE1 4.39Å; C627-Y658 WeakPolarHBondContact SG-CD1 3.43Å
659R89.8Confident89.1Confident132 Ų13243.6 Ų43.650%0.49822%0.221SC..EExtended strand (participates in β ladder)trans-86.1121.5170.8-171.1177.8-177.5178.2-0.3108.2D630 V661D630-R659 HydrophobicContact CB-CB 4.22Å; D630-R659 PolarHBondContact O-N 2.76Å; R659-V661 PolarHBondContact O-N 2.94Å
660S72.4Confident88.4Confident61 Ų6147 Ų4743%0.42724%0.238SC..  trans-66.8123.7176.5-1660000109L662S660-L662 PolarHBondContact O-N 2.89Å
661V63.4Low87.6Confident98 Ų9850.9 Ų50.959%0.59426%0.258SS*.  trans-86.1105.8166.4-167.30000105D630 R659D630-V661 HydrophobicContact CB-CG2 4.45Å; R659-V661 PolarHBondContact O-N 2.94Å
662L51.3Low86.7Confident233 Ų23353.9 Ų53.9100%1.2228%0.276SS*.  trans-69.50171.2-92.2163.2000110.1S660S660-L662 PolarHBondContact O-N 2.89Å

Retrieved 662 of 662 residues in 328.3 ms (Link to these results)

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