A0A5K4FEM3_SCHMA Loading...

PAPS_reduct domain-containing protein

AlphaFold DB (A0A5K4FCE9), UniProt , Accession A0A5K4FEM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 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
1M63.4Low92.5Very high194 Ų19444.6 Ų44.696%0.95625%0.248SC*.  0130.90-70.6175.2-145.100108.7S3M1-S3 PolarHBondContact O-N 2.96Å
2V79.7Confident93Very high78 Ų7841.1 Ų41.147%0.47323%0.228SC..PPolyproline II helixtrans-76.2119.2171.2-172.90000107.1V178 L231V2-V178 HydrophobicContact CB-CG2 4.43Å; V2-V178 HydrophobicContact CG1-CG2 3.5Å; V2-V178 VanDerWaalsContact CG1-CG2 3.5Å; V2-L231 WeakPolarHBondContact O-CD1 3.32Å
3S88.9Confident93.3Very high101 Ų10137.9 Ų37.971%0.70621%0.211SC*.PPolyproline II helixtrans-86121.6174.6-176.60000108.8M1M1-S3 PolarHBondContact O-N 2.96Å
4P95.2Very high93.7Very high10 Ų1040.7 Ų40.77%0.06523%0.225CC..PPolyproline II helixtrans-64.4139.3177.425.9-32.8000109.8R39 V178 F180 L231P4-R39 HydrophobicContact CB-CB 4.18Å; P4-R39 HydrophobicContact CG-CB 4.07Å; P4-R39 VanDerWaalsContact CG-CZ 3.46Å; P4-V178 HydrophobicContact CB-CG1 3.83Å; P4-V178 HydrophobicContact CB-CG2 4.49Å; P4-F180 HydrophobicContact CB-CE2 4.35Å; P4-F180 HydrophobicContact CB-CZ 3.78Å; P4-F180 HydrophobicContact CG-CZ 4.05Å; P4-L231 HydrophobicContact CG-CD1 4.12Å
5K97.9Very high93.9Very high83 Ų8343.1 Ų43.136%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-59.6143.5169.4-71.3-177.3-179.1176.20110.3V38 R39 D65 Y66K5-V38 HydrophobicContact CB-CG1 4.24Å; K5-V38 WeakPolarHBondContact O-CA 3.33Å; K5-R39 PolarHBondContact O-N 2.61Å; K5-D65 HydrophobicContact CB-CB 3.93Å; K5-D65 HydrophobicContact CD-CB 4.4Å; K5-D65 HydrophobicContact CG-CB 4.26Å; K5-Y66 HydrophobicContact CB-CD2 4.31Å; K5-Y66 HydrophobicContact CB-CE2 3.97Å; K5-Y66 HydrophobicContact CD-CD2 4.46Å; K5-Y66 HydrophobicContact CD-CE2 3.46Å; K5-Y66 VanDerWaalsContact CD-CE2 3.46Å; K5-Y66 HydrophobicContact CG-CE2 4.38Å; K5-Y66 PolarHBondContact NZ-OH 2.82Å
6S98.3Very high94.1Very high21 Ų2142.6 Ų42.615%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-87141.4-178.960.60000111.6Y64 D65 Y66S6-Y64 WeakPolarHBondContact OG-CA 3.48Å; S6-D65 WeakPolarHBondContact CB-OD2 3.41Å; S6-D65 PolarHBondContact N-OD2 2.62Å; S6-D65 WeakPolarHBondContact O-CB 3.26Å; S6-D65 PolarHBondContact O-N 3.11Å; S6-D65 VanDerWaalsContact O-N 3.16Å; S6-D65 PolarHBondContact OG-N 2.63Å; S6-D65 PolarHBondContact OG-OD2 2.95Å; S6-Y66 PolarHBondContact O-N 2.83Å
7L98.7Very high94.3Very high0 Ų045.6 Ų45.60%025%0.246CC..EExtended strand (participates in β ladder)trans-125.6136.2178.5174.364.4000109.6L29 A33 V38 R39 L40 R41 Y66 I68L7-L29 HydrophobicContact CD2-CD1 3.98Å; L7-L29 HydrophobicContact CD2-CD2 4.02Å; L7-L29 HydrophobicContact CD2-CG 4.14Å; L7-A33 HydrophobicContact CD2-CB 3.99Å; L7-V38 HydrophobicContact CB-CG2 4.39Å; L7-V38 HydrophobicContact CD2-CG2 4.03Å; L7-R39 PolarHBondContact N-O 2.96Å; L7-L40 HydrophobicContact CB-CD1 4.46Å; L7-L40 HydrophobicContact CD2-CD1 4.27Å; L7-L40 HydrophobicContact CG-CD1 3.98Å; L7-L40 CarbonylContact O-C 3.6Å; L7-L40 WeakPolarHBondContact O-CA 3.4Å; L7-L40 WeakPolarHBondContact O-CD1 3.2Å; L7-R41 PolarHBondContact O-N 3.14Å; L7-Y66 WeakPolarHBondContact CA-O 3.38Å; L7-I68 HydrophobicContact CD1-CB 4.42Å; L7-I68 HydrophobicContact CD1-CD1 3.83Å; L7-I68 HydrophobicContact CD1-CG1 3.87Å; L7-I68 HydrophobicContact CD2-CD1 4.15Å
8G98.8Very high94.5Very high0 Ų047.5 Ų47.50%026%0.256CS..EExtended strand (participates in β ladder)trans-113.8140.5167.500000111.3Y66 V67 I68G8-Y66 PolarHBondContact N-O 3.35Å; G8-V67 WeakPolarHBondContact O-CA 3.47Å; G8-I68 PolarHBondContact O-N 2.59Å
9L98.9Very high94.6Very high0 Ų048.2 Ų48.20%028%0.275CS..EExtended strand (participates in β ladder)trans-111131.6172.3176.262.1000110.6V11 S26 L29 L40 K42 I43 S44 F60 I68L9-V11 HydrophobicContact CD1-CG2 4.42Å; L9-V11 HydrophobicContact CD2-CG2 3.89Å; L9-V11 HydrophobicContact CG-CG2 3.93Å; L9-S26 VanDerWaalsContact CD2-OG 3.3Å; L9-S26 WeakPolarHBondContact CD2-OG 3.47Å; L9-L29 HydrophobicContact CB-CD2 3.82Å; L9-L29 HydrophobicContact CD1-CD2 3.93Å; L9-L29 HydrophobicContact CD2-CB 4.45Å; L9-L29 HydrophobicContact CD2-CD2 3.85Å; L9-L29 HydrophobicContact CG-CD2 4.07Å; L9-L40 HydrophobicContact CB-CD1 3.95Å; L9-K42 PolarHBondContact N-O 2.89Å; L9-I43 HydrophobicContact CB-CG1 4.28Å; L9-I43 HydrophobicContact CB-CG2 4.5Å; L9-I43 HydrophobicContact CD2-CG1 4.34Å; L9-I43 HydrophobicContact CD2-CG2 4.09Å; L9-I43 HydrophobicContact CG-CG2 4.36Å; L9-I43 CarbonylContact O-C 3.18Å; L9-I43 WeakPolarHBondContact O-CA 3.06Å; L9-S44 PolarHBondContact O-N 3.36Å; L9-F60 WeakPolarHBondContact O-CE1 3.13Å; L9-I68 CarbonylContact C-O 3.52Å; L9-I68 WeakPolarHBondContact CA-O 3.23Å; L9-I68 HydrophobicContact CD1-CB 4.23Å; L9-I68 HydrophobicContact CD1-CG2 3.81Å; L9-I68 WeakPolarHBondContact CD1-O 3.3Å
10I98.9Very high94.7Very high0 Ų054.4 Ų54.40%030%0.299CS..EExtended strand (participates in β ladder)trans-115.9109.5170.1-55.3169.4000107.9I12 S44 I46 E56 V57 F60 V67 I68 T69 S70I10-I12 HydrophobicContact CG2-CD1 4.31Å; I10-I12 HydrophobicContact CG2-CG1 3.88Å; I10-S44 CarbonylContact C-O 3.15Å; I10-S44 WeakPolarHBondContact CA-O 3.21Å; I10-I46 HydrophobicContact CG2-CD1 3.49Å; I10-I46 VanDerWaalsContact CG2-CD1 3.49Å; I10-I46 HydrophobicContact CG2-CG1 3.79Å; I10-E56 HydrophobicContact CD1-CB 4.39Å; I10-E56 HydrophobicContact CD1-CG 4.04Å; I10-E56 HydrophobicContact CG1-CG 4.12Å; I10-E56 HydrophobicContact CG2-CG 4.36Å; I10-V57 HydrophobicContact CD1-CG2 3.9Å; I10-F60 HydrophobicContact CD1-CB 4.01Å; I10-F60 HydrophobicContact CD1-CD1 3.92Å; I10-F60 HydrophobicContact CD1-CD2 4.34Å; I10-F60 HydrophobicContact CD1-CG 3.83Å; I10-F60 HydrophobicContact CG1-CD1 3.58Å; I10-F60 HydrophobicContact CG1-CD2 4.43Å; I10-F60 HydrophobicContact CG1-CE1 3.73Å; I10-F60 HydrophobicContact CG1-CG 3.96Å; I10-F60 HydrophobicContact CG1-CZ 4.24Å; I10-V67 HydrophobicContact CD1-CG1 3.95Å; I10-V67 HydrophobicContact CG1-CG1 4.42Å; I10-I68 PolarHBondContact N-O 3.42Å; I10-T69 HydrophobicContact CB-CG2 4.46Å; I10-T69 CarbonylContact O-C 3.56Å; I10-T69 WeakPolarHBondContact O-CA 3.25Å; I10-S70 PolarHBondContact O-N 3.09Å
11V98.8Very high94.7Very high4 Ų453.7 Ų53.72%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-88.6126.8172.8-175.50000107.9L9 I16 S26 I43 S44 V45 I46L9-V11 HydrophobicContact CD1-CG2 4.42Å; L9-V11 HydrophobicContact CD2-CG2 3.89Å; L9-V11 HydrophobicContact CG-CG2 3.93Å; V11-I16 HydrophobicContact CG1-CG1 4.02Å; V11-I16 HydrophobicContact CG1-CG2 4.41Å; V11-S26 WeakPolarHBondContact CG2-OG 3.39Å; V11-I43 HydrophobicContact CG2-CG2 4.26Å; V11-S44 PolarHBondContact N-O 2.83Å; V11-V45 HydrophobicContact CB-CB 4.47Å; V11-V45 HydrophobicContact CB-CG1 4.28Å; V11-V45 HydrophobicContact CB-CG2 4.16Å; V11-V45 HydrophobicContact CG1-CG1 4.33Å; V11-V45 WeakPolarHBondContact O-CA 3.24Å; V11-I46 PolarHBondContact O-N 3.05Å
12I98.7Very high96.3Very high2 Ų253.6 Ų53.61%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-121.9119.3-174.4-55.3168.9000106.4I10 I46 D48 I53 T69 S70 G71 T81I10-I12 HydrophobicContact CG2-CD1 4.31Å; I10-I12 HydrophobicContact CG2-CG1 3.88Å; I12-I46 HydrophobicContact CG1-CD1 4.14Å; I12-I46 HydrophobicContact CG1-CG1 3.95Å; I12-D48 WeakPolarHBondContact CG2-OD1 3.18Å; I12-I53 HydrophobicContact CD1-CD1 4.15Å; I12-I53 HydrophobicContact CD1-CG1 3.97Å; I12-I53 HydrophobicContact CD1-CG2 4.12Å; I12-I53 HydrophobicContact CG1-CG1 4.27Å; I12-I53 HydrophobicContact CG2-CD1 3.62Å; I12-I53 HydrophobicContact CG2-CG1 3.99Å; I12-T69 HydrophobicContact CD1-CG2 4.31Å; I12-S70 PolarHBondContact N-O 3.06Å; I12-G71 WeakPolarHBondContact O-CA 3.39Å; I12-T81 HydrophobicContact CD1-CG2 3.61Å; I12-T81 VanDerWaalsContact CD1-OG1 3.3Å; I12-T81 WeakPolarHBondContact CD1-OG1 3.48Å
13G97.3Very high97.1Very high0 Ų051.8 Ų51.80%028%0.282CS..  trans164.8116.5-178.400000112.6E15 I16 L17 I46 D48G13-E15 WeakPolarHBondContact CA-OE2 3.35Å; G13-E15 PolarHBondContact O-N 3.21Å; G13-I16 WeakPolarHBondContact O-CB 3.48Å; G13-I16 PolarHBondContact O-N 3.48Å; G13-L17 PolarHBondContact O-N 2.94Å; G13-I46 PolarHBondContact N-O 3.34Å; G13-D48 VanDerWaalsContact CA-OD2 3.26Å; G13-D48 WeakPolarHBondContact CA-OD2 3.44Å
14D97.9Very high97.6Very high77 Ų7749.4 Ų49.441%0.41227%0.265SS..Hα-helixtrans-59.1-32.4173.5-80.9-14000111.7I16 L17 N18 P47 D48D14-I16 PolarHBondContact O-N 3.22Å; D14-L17 PolarHBondContact O-N 2.92Å; D14-N18 WeakPolarHBondContact O-CB 3.17Å; D14-N18 PolarHBondContact O-N 3.33Å; D14-N18 PolarHBondContact O-ND2 3.03Å; D14-N18 PolarHBondContact O-OD1 3.32Å; D14-P47 WeakPolarHBondContact OD1-CA 3.28Å; D14-P47 WeakPolarHBondContact OD1-CB 3.16Å; D14-D48 PolarHBondContact N-OD2 3.43Å; D14-D48 PolarHBondContact OD1-N 3.29Å
15E96.5Very high97.7Very high76 Ų7649.3 Ų49.336%0.35527%0.265SS..Hα-helixtrans-63-26.617675.1-79-172.200113.9G13 N18 G19 K20 A21G13-E15 WeakPolarHBondContact CA-OE2 3.35Å; G13-E15 PolarHBondContact O-N 3.21Å; E15-N18 VanDerWaalsContact CA-OD1 3.28Å; E15-N18 WeakPolarHBondContact CA-OD1 3.47Å; E15-N18 PolarHBondContact O-OD1 3.48Å; E15-G19 PolarHBondContact O-N 3.43Å; E15-K20 HydrophobicContact CB-CB 4.19Å; E15-K20 PolarHBondContact O-N 2.91Å; E15-A21 HydrophobicContact CB-CB 4.18Å; E15-A21 HydrophobicContact CG-CB 3.64Å; E15-A21 PolarHBondContact O-N 3.47Å
16I97.6Very high97.7Very high36 Ų3645.9 Ų45.919%0.18525%0.251CS..Hα-helixtrans-76.8-45.8174.5-53.2-60.8000109.1V11 G13 D14 G19 A21 D23 V45V11-I16 HydrophobicContact CG1-CG1 4.02Å; V11-I16 HydrophobicContact CG1-CG2 4.41Å; G13-I16 WeakPolarHBondContact O-CB 3.48Å; G13-I16 PolarHBondContact O-N 3.48Å; D14-I16 PolarHBondContact O-N 3.22Å; I16-G19 PolarHBondContact O-N 3.24Å; I16-A21 HydrophobicContact CD1-CB 4Å; I16-D23 HydrophobicContact CD1-CB 4.23Å; I16-D23 HydrophobicContact CG2-CB 3.98Å; I16-V45 HydrophobicContact CB-CG1 4.05Å; I16-V45 HydrophobicContact CG2-CG1 3.57Å
17L98Very high97.7Very high93 Ų9352.8 Ų52.849%0.48727%0.274SS..Hα-helixtrans-67.4-36-179.6-68.9179000113G13 D14 G19 V45 P47G13-L17 PolarHBondContact O-N 2.94Å; D14-L17 PolarHBondContact O-N 2.92Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-V45 HydrophobicContact CD2-CB 4.25Å; L17-V45 HydrophobicContact CD2-CG1 3.71Å; L17-V45 HydrophobicContact CG-CG1 4.17Å; L17-P47 HydrophobicContact CD1-CB 3.93Å; L17-P47 HydrophobicContact CD1-CG 4.45Å
18N97.3Very high97.7Very high80 Ų8055.8 Ų55.843%0.42829%0.288SS..THydrogen-bonded Turntrans-89.31.4178.770.334.2000113.6D14 E15 K20D14-N18 WeakPolarHBondContact O-CB 3.17Å; D14-N18 PolarHBondContact O-N 3.33Å; D14-N18 PolarHBondContact O-ND2 3.03Å; D14-N18 PolarHBondContact O-OD1 3.32Å; E15-N18 VanDerWaalsContact CA-OD1 3.28Å; E15-N18 WeakPolarHBondContact CA-OD1 3.47Å; E15-N18 PolarHBondContact O-OD1 3.48Å; N18-K20 VanDerWaalsContact C-N 3.28Å; N18-K20 PolarHBondContact ND2-NZ 3.07Å; N18-K20 PolarHBondContact O-N 3.38Å; N18-K20 WeakPolarHBondContact OD1-CB 3.43Å; N18-K20 VanDerWaalsContact OD1-CD 3.24Å; N18-K20 WeakPolarHBondContact OD1-CD 3.45Å; N18-K20 WeakPolarHBondContact OD1-CG 3.37Å; N18-K20 PolarHBondContact OD1-N 3.06Å
19G96.5Very high97.7Very high60 Ų6055.8 Ų55.862%0.61929%0.288SS*.THydrogen-bonded Turntrans72.810.617500000115.6E15 I16 L17 A21E15-G19 PolarHBondContact O-N 3.43Å; I16-G19 PolarHBondContact O-N 3.24Å; L17-G19 VanDerWaalsContact C-N 3.34Å; G19-A21 VanDerWaalsContact C-N 3.25Å; G19-A21 PolarHBondContact O-N 3.13Å
20K96.1Very high97.6Very high173 Ų17358.8 Ų58.875%0.75231%0.308SS*.SBendtrans-68.5-26.6173.1-72.6169.5-168.51640112.2E15 N18E15-K20 HydrophobicContact CB-CB 4.19Å; E15-K20 PolarHBondContact O-N 2.91Å; N18-K20 VanDerWaalsContact C-N 3.28Å; N18-K20 PolarHBondContact ND2-NZ 3.07Å; N18-K20 PolarHBondContact O-N 3.38Å; N18-K20 WeakPolarHBondContact OD1-CB 3.43Å; N18-K20 VanDerWaalsContact OD1-CD 3.24Å; N18-K20 WeakPolarHBondContact OD1-CD 3.45Å; N18-K20 WeakPolarHBondContact OD1-CG 3.37Å; N18-K20 PolarHBondContact OD1-N 3.06Å
21A95.6Very high97.5Very high40 Ų4063 Ų6333%0.33133%0.33SS..SBendtrans-127145.4173.100000111E15 I16 G19E15-A21 HydrophobicContact CB-CB 4.18Å; E15-A21 HydrophobicContact CG-CB 3.64Å; E15-A21 PolarHBondContact O-N 3.47Å; I16-A21 HydrophobicContact CD1-CB 4Å; G19-A21 VanDerWaalsContact C-N 3.25Å; G19-A21 PolarHBondContact O-N 3.13Å
22K96.5Very high97.4Very high191 Ų19163.3 Ų63.383%0.8333%0.332SS*.  trans-89.2127.2171.7179.5179.7179177.80108.9S24K22-S24 PolarHBondContact O-N 2.94Å
23D97.8Very high97.4Very high41 Ų4163.2 Ų63.222%0.21933%0.331CS..  trans-68.3102.8172.7178.78.4000111.4I16 N25 S26I16-D23 HydrophobicContact CD1-CB 4.23Å; I16-D23 HydrophobicContact CG2-CB 3.98Å; D23-N25 PolarHBondContact OD1-N 3.38Å; D23-S26 PolarHBondContact OD1-N 2.91Å; D23-S26 WeakPolarHBondContact OD2-CB 3.27Å; D23-S26 PolarHBondContact OD2-OG 3.33Å
24S97.4Very high97.3Very high50 Ų5065.6 Ų65.635%0.3535%0.347SS..  trans-92.4-19.9170.354.80000113.4K22 R27 Q28 P159K22-S24 PolarHBondContact O-N 2.94Å; S24-R27 PolarHBondContact O-N 2.99Å; S24-Q28 PolarHBondContact O-N 3.37Å; S24-P159 WeakPolarHBondContact OG-CG 3.31Å
25N98.5Very high97.2Very high9 Ų967.5 Ų67.55%0.04836%0.356CS..Hα-helixtrans-74.4-38.9-171.3-64.1-10.8000110.9D23 R27 Q28 L29 S70 G157 P159 F162D23-N25 PolarHBondContact OD1-N 3.38Å; N25-R27 VanDerWaalsContact C-N 3.34Å; N25-R27 PolarHBondContact O-N 3.24Å; N25-Q28 PolarHBondContact O-N 2.96Å; N25-L29 WeakPolarHBondContact O-CB 3.18Å; N25-L29 PolarHBondContact O-N 3.4Å; N25-S70 PolarHBondContact ND2-OG 2.95Å; N25-G157 PolarHBondContact ND2-O 3.4Å; N25-P159 WeakPolarHBondContact OD1-CA 3.48Å; N25-F162 HydrophobicContact CB-CD1 3.78Å; N25-F162 HydrophobicContact CB-CD2 4.23Å; N25-F162 HydrophobicContact CB-CE1 3.81Å; N25-F162 HydrophobicContact CB-CE2 4.28Å; N25-F162 HydrophobicContact CB-CG 3.99Å; N25-F162 HydrophobicContact CB-CZ 4.07Å
26S98.5Very high97.2Very high10 Ų1064 Ų647%0.0734%0.34CS..Hα-helixtrans-55.5-49.3169.9-76.40000112L9 V11 D23 Q28 L29 C30 I43L9-S26 VanDerWaalsContact CD2-OG 3.3Å; L9-S26 WeakPolarHBondContact CD2-OG 3.47Å; V11-S26 WeakPolarHBondContact CG2-OG 3.39Å; D23-S26 PolarHBondContact OD1-N 2.91Å; D23-S26 WeakPolarHBondContact OD2-CB 3.27Å; D23-S26 PolarHBondContact OD2-OG 3.33Å; S26-Q28 VanDerWaalsContact C-N 3.33Å; S26-Q28 PolarHBondContact O-N 2.93Å; S26-L29 PolarHBondContact O-N 3.33Å; S26-C30 PolarHBondContact O-N 2.91Å; S26-C30 PolarHBondContact O-SG 3.14Å; S26-I43 WeakPolarHBondContact OG-CG2 3.05Å
27R97.7Very high97.2Very high167 Ų16762.4 Ų62.463%0.6333%0.332SS*.Hα-helixtrans-61.9-44.1178.7-176.9-179.8178-77.1-2.1111S24 N25 L29 C30 L31S24-R27 PolarHBondContact O-N 2.99Å; N25-R27 VanDerWaalsContact C-N 3.34Å; N25-R27 PolarHBondContact O-N 3.24Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-L29 PolarHBondContact O-N 2.96Å; R27-C30 WeakPolarHBondContact O-CB 3.29Å; R27-C30 PolarHBondContact O-N 2.68Å; R27-L31 WeakPolarHBondContact O-CG 3.16Å; R27-L31 PolarHBondContact O-N 3.47Å
28Q98.2Very high97.2Very high62 Ų6258 Ų5829%0.2931%0.309SS..Hα-helixtrans-58.5-48.2176.7-178.868.318.300110.9S24 N25 S26 C30 L31 T32 N163 L166S24-Q28 PolarHBondContact O-N 3.37Å; N25-Q28 PolarHBondContact O-N 2.96Å; S26-Q28 VanDerWaalsContact C-N 3.33Å; S26-Q28 PolarHBondContact O-N 2.93Å; Q28-C30 VanDerWaalsContact C-N 3.33Å; Q28-C30 PolarHBondContact O-N 2.87Å; Q28-L31 WeakPolarHBondContact O-CB 3.35Å; Q28-L31 PolarHBondContact O-N 3.22Å; Q28-T32 PolarHBondContact NE2-OG1 3.45Å; Q28-T32 PolarHBondContact O-N 2.85Å; Q28-T32 PolarHBondContact O-OG1 3.2Å; Q28-N163 VanDerWaalsContact CG-OD1 3.31Å; Q28-N163 WeakPolarHBondContact CG-OD1 3.41Å; Q28-L166 HydrophobicContact CG-CD1 3.96Å
29L98.5Very high97.2Very high0 Ų058.5 Ų58.50%031%0.305CS..Hα-helixtrans-65-36.7-179.2-171.962000112.3L7 L9 N25 S26 R27 L31 T32 A33 L40 I68 F162 L166L7-L29 HydrophobicContact CD2-CD1 3.98Å; L7-L29 HydrophobicContact CD2-CD2 4.02Å; L7-L29 HydrophobicContact CD2-CG 4.14Å; L9-L29 HydrophobicContact CB-CD2 3.82Å; L9-L29 HydrophobicContact CD1-CD2 3.93Å; L9-L29 HydrophobicContact CD2-CB 4.45Å; L9-L29 HydrophobicContact CD2-CD2 3.85Å; L9-L29 HydrophobicContact CG-CD2 4.07Å; N25-L29 WeakPolarHBondContact O-CB 3.18Å; N25-L29 PolarHBondContact O-N 3.4Å; S26-L29 PolarHBondContact O-N 3.33Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-L29 PolarHBondContact O-N 2.96Å; L29-L31 PolarHBondContact O-N 2.9Å; L29-T32 PolarHBondContact O-N 3.43Å; L29-A33 HydrophobicContact CD1-CB 4.49Å; L29-A33 WeakPolarHBondContact O-CB 3.26Å; L29-A33 PolarHBondContact O-N 3.26Å; L29-L40 HydrophobicContact CD2-CD1 4.13Å; L29-L40 HydrophobicContact CD2-CD2 4.4Å; L29-L40 HydrophobicContact CG-CD2 4.35Å; L29-I68 HydrophobicContact CD1-CD1 3.91Å; L29-I68 HydrophobicContact CD2-CD1 4.17Å; L29-F162 HydrophobicContact CB-CE1 4.43Å; L29-F162 HydrophobicContact CB-CZ 4.45Å; L29-L166 HydrophobicContact CD1-CD2 3.84Å
30C97.8Very high97.3Very high63 Ų6357.2 Ų57.243%0.42628%0.284SS..Hα-helixtrans-55.9-37.1172.2-72.30000112.3S26 R27 Q28 P34S26-C30 PolarHBondContact O-N 2.91Å; S26-C30 PolarHBondContact O-SG 3.14Å; R27-C30 WeakPolarHBondContact O-CB 3.29Å; R27-C30 PolarHBondContact O-N 2.68Å; Q28-C30 VanDerWaalsContact C-N 3.33Å; Q28-C30 PolarHBondContact O-N 2.87Å; C30-P34 VanDerWaalsContact O-CD 3.23Å; C30-P34 WeakPolarHBondContact O-CD 3.29Å
31L96Very high97.3Very high90 Ų9056.4 Ų56.447%0.47128%0.276SS..Hα-helixtrans-79.7-38178.3-63.7173.5000112.1R27 Q28 L29R27-L31 WeakPolarHBondContact O-CG 3.16Å; R27-L31 PolarHBondContact O-N 3.47Å; Q28-L31 WeakPolarHBondContact O-CB 3.35Å; Q28-L31 PolarHBondContact O-N 3.22Å; L29-L31 PolarHBondContact O-N 2.9Å
32T97.2Very high97.5Very high9 Ų957.9 Ų57.96%0.05528%0.275CS..Hα-helixtrans-82.2-35.2-174.7-59.30000113.4Q28 L29 L35 F36 L166Q28-T32 PolarHBondContact NE2-OG1 3.45Å; Q28-T32 PolarHBondContact O-N 2.85Å; Q28-T32 PolarHBondContact O-OG1 3.2Å; L29-T32 PolarHBondContact O-N 3.43Å; T32-L35 WeakPolarHBondContact O-CA 3.41Å; T32-L35 VanDerWaalsContact O-CB 3.28Å; T32-L35 WeakPolarHBondContact O-CB 3.44Å; T32-L35 PolarHBondContact O-N 3.24Å; T32-F36 HydrophobicContact CG2-CD1 4.04Å; T32-F36 HydrophobicContact CG2-CD2 4.02Å; T32-F36 HydrophobicContact CG2-CE1 3.5Å; T32-F36 HydrophobicContact CG2-CE2 3.53Å; T32-F36 HydrophobicContact CG2-CG 4.29Å; T32-F36 HydrophobicContact CG2-CZ 3.25Å; T32-F36 PolarHBondContact O-N 3.34Å; T32-F36 VanDerWaalsContact O-N 3.16Å; T32-L166 HydrophobicContact CG2-CD1 4.31Å
33A97.9Very high97.6Very high0 Ų051.9 Ų51.90%025%0.251CS..Hα-helixtrans-55.5-45.6-176.700000113.5L7 L29 L35 F36 G37 V38 L40L7-A33 HydrophobicContact CD2-CB 3.99Å; L29-A33 HydrophobicContact CD1-CB 4.49Å; L29-A33 WeakPolarHBondContact O-CB 3.26Å; L29-A33 PolarHBondContact O-N 3.26Å; A33-L35 VanDerWaalsContact C-N 3.28Å; A33-L35 PolarHBondContact O-N 3.39Å; A33-F36 CarbonylContact O-C 3.58Å; A33-F36 WeakPolarHBondContact O-CA 2.96Å; A33-F36 WeakPolarHBondContact O-CB 3.22Å; A33-F36 PolarHBondContact O-N 3.39Å; A33-G37 PolarHBondContact O-N 2.87Å; A33-V38 CarbonylContact C-O 3.57Å; A33-V38 HydrophobicContact CB-CG2 3.96Å; A33-V38 WeakPolarHBondContact O-CG2 3.37Å; A33-V38 PolarHBondContact O-N 3.07Å; A33-V38 VanDerWaalsContact O-N 3.11Å; A33-L40 HydrophobicContact CB-CB 4.29Å
34P95.9Very high97.6Very high50 Ų5050.8 Ų50.833%0.32525%0.247SC..Hα-helixtrans-60.3-34.9173.3-24.535.2000113.6C30 F36 G37 F180C30-P34 VanDerWaalsContact O-CD 3.23Å; C30-P34 WeakPolarHBondContact O-CD 3.29Å; P34-F36 PolarHBondContact O-N 2.9Å; P34-G37 PolarHBondContact O-N 3.28Å; P34-F180 HydrophobicContact CB-CB 4Å; P34-F180 HydrophobicContact CB-CD2 3.86Å; P34-F180 HydrophobicContact CB-CE2 4.47Å; P34-F180 HydrophobicContact CB-CG 3.89Å; P34-F180 WeakPolarHBondContact O-CD2 3.43Å
35L95.9Very high97.7Very high117 Ų11751 Ų5161%0.61325%0.246SC*.Hα-helixtrans-67.1-23.9176.6-54.2178.4000112.3T32 A33 R174T32-L35 WeakPolarHBondContact O-CA 3.41Å; T32-L35 VanDerWaalsContact O-CB 3.28Å; T32-L35 WeakPolarHBondContact O-CB 3.44Å; T32-L35 PolarHBondContact O-N 3.24Å; A33-L35 VanDerWaalsContact C-N 3.28Å; A33-L35 PolarHBondContact O-N 3.39Å; L35-R174 PolarHBondContact O-NH1 3.22Å
36F96.9Very high97.7Very high4 Ų451.5 Ų51.52%0.01825%0.248CC..THydrogen-bonded Turntrans-88.8-1.1173.7-64.3-7.7000112.5T32 A33 P34 V38 L166 K170 I173 R174 D175T32-F36 HydrophobicContact CG2-CD1 4.04Å; T32-F36 HydrophobicContact CG2-CD2 4.02Å; T32-F36 HydrophobicContact CG2-CE1 3.5Å; T32-F36 HydrophobicContact CG2-CE2 3.53Å; T32-F36 HydrophobicContact CG2-CG 4.29Å; T32-F36 HydrophobicContact CG2-CZ 3.25Å; T32-F36 PolarHBondContact O-N 3.34Å; T32-F36 VanDerWaalsContact O-N 3.16Å; A33-F36 CarbonylContact O-C 3.58Å; A33-F36 WeakPolarHBondContact O-CA 2.96Å; A33-F36 WeakPolarHBondContact O-CB 3.22Å; A33-F36 PolarHBondContact O-N 3.39Å; P34-F36 PolarHBondContact O-N 2.9Å; F36-V38 VanDerWaalsContact C-N 3.28Å; F36-V38 HydrophobicContact CB-CG2 4.15Å; F36-V38 PolarHBondContact O-N 2.66Å; F36-L166 HydrophobicContact CZ-CB 4.49Å; F36-K170 HydrophobicContact CD1-CD 4.41Å; F36-K170 HydrophobicContact CD1-CG 3.9Å; F36-K170 HydrophobicContact CE1-CB 3.95Å; F36-K170 HydrophobicContact CE1-CD 3.7Å; F36-K170 HydrophobicContact CE1-CG 3.49Å; F36-K170 VanDerWaalsContact CE1-CG 3.49Å; F36-K170 HydrophobicContact CE2-CB 4.27Å; F36-K170 HydrophobicContact CZ-CB 3.73Å; F36-K170 HydrophobicContact CZ-CD 4.2Å; F36-K170 HydrophobicContact CZ-CG 3.83Å; F36-I173 HydrophobicContact CD2-CD1 3.48Å; F36-I173 VanDerWaalsContact CD2-CD1 3.48Å; F36-I173 HydrophobicContact CD2-CG1 3.84Å; F36-I173 HydrophobicContact CE2-CD1 3.87Å; F36-I173 HydrophobicContact CE2-CG1 4.39Å; F36-R174 CarbonylContact O-C 3.57Å; F36-R174 WeakPolarHBondContact O-CA 3.12Å; F36-D175 PolarHBondContact O-N 2.84Å
37G97.1Very high97.7Very high1 Ų153.2 Ų53.21%0.0126%0.259CS..THydrogen-bonded Turntrans72.721.5-177.200000113.3A33 P34 V178A33-G37 PolarHBondContact O-N 2.87Å; P34-G37 PolarHBondContact O-N 3.28Å; G37-V178 WeakPolarHBondContact CA-O 3.28Å; G37-V178 WeakPolarHBondContact O-CB 3.49Å; G37-V178 WeakPolarHBondContact O-CG1 3.18Å
38V97.7Very high97.7Very high0 Ų046.5 Ų46.50%024%0.236CC..EExtended strand (participates in β ladder)trans-120153176.9-58.60000111.4K5 L7 A33 F36 Y66 I173K5-V38 HydrophobicContact CB-CG1 4.24Å; K5-V38 WeakPolarHBondContact O-CA 3.33Å; L7-V38 HydrophobicContact CB-CG2 4.39Å; L7-V38 HydrophobicContact CD2-CG2 4.03Å; A33-V38 CarbonylContact C-O 3.57Å; A33-V38 HydrophobicContact CB-CG2 3.96Å; A33-V38 WeakPolarHBondContact O-CG2 3.37Å; A33-V38 PolarHBondContact O-N 3.07Å; A33-V38 VanDerWaalsContact O-N 3.11Å; F36-V38 VanDerWaalsContact C-N 3.28Å; F36-V38 HydrophobicContact CB-CG2 4.15Å; F36-V38 PolarHBondContact O-N 2.66Å; V38-Y66 HydrophobicContact CG1-CD2 4.25Å; V38-Y66 HydrophobicContact CG1-CE2 4.16Å; V38-I173 VanDerWaalsContact CG1-O 3.24Å; V38-I173 WeakPolarHBondContact CG1-O 3.46Å
39R97Very high97.7Very high91 Ų9147.1 Ų47.134%0.34324%0.241SC..EExtended strand (participates in β ladder)trans-108.8110.8-177.7-171.4174.6-75.4155.7-3.5110.5P4 K5 L7 R41 F180P4-R39 HydrophobicContact CB-CB 4.18Å; P4-R39 HydrophobicContact CG-CB 4.07Å; P4-R39 VanDerWaalsContact CG-CZ 3.46Å; K5-R39 PolarHBondContact O-N 2.61Å; L7-R39 PolarHBondContact N-O 2.96Å; R39-R41 WeakPolarHBondContact O-CG 3.25Å; R39-R41 PolarHBondContact O-N 3.22Å; R39-F180 HydrophobicContact CB-CZ 4.12Å
40L98.3Very high97.7Very high34 Ų3448.8 Ų48.818%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-63.6125.3168.5-174.962.4000109.7L7 L9 L29 A33 I43L7-L40 HydrophobicContact CB-CD1 4.46Å; L7-L40 HydrophobicContact CD2-CD1 4.27Å; L7-L40 HydrophobicContact CG-CD1 3.98Å; L7-L40 CarbonylContact O-C 3.6Å; L7-L40 WeakPolarHBondContact O-CA 3.4Å; L7-L40 WeakPolarHBondContact O-CD1 3.2Å; L9-L40 HydrophobicContact CB-CD1 3.95Å; L29-L40 HydrophobicContact CD2-CD1 4.13Å; L29-L40 HydrophobicContact CD2-CD2 4.4Å; L29-L40 HydrophobicContact CG-CD2 4.35Å; A33-L40 HydrophobicContact CB-CB 4.29Å; L40-I43 HydrophobicContact CD1-CG1 4.45Å; L40-I43 HydrophobicContact CD2-CD1 3.89Å; L40-I43 HydrophobicContact CD2-CG1 3.9Å; L40-I43 HydrophobicContact CG-CG1 4.32Å
41R98Very high97.7Very high155 Ų15549.5 Ų49.559%0.58525%0.253SS*.EExtended strand (participates in β ladder)trans-111.6-32.9-173.1-62.6-52.5-64.7152-3.9113.7L7 R39 Y64L7-R41 PolarHBondContact O-N 3.14Å; R39-R41 WeakPolarHBondContact O-CG 3.25Å; R39-R41 PolarHBondContact O-N 3.22Å; R41-Y64 HydrophobicContact CB-CD1 3.99Å; R41-Y64 HydrophobicContact CB-CE1 3.5Å; R41-Y64 HydrophobicContact CG-CD1 4.25Å; R41-Y64 HydrophobicContact CG-CE1 4.16Å
42K98.6Very high97.9Very high71 Ų7146.4 Ų46.431%0.30924%0.24SC..EExtended strand (participates in β ladder)trans-149.4140.6178.9-174.4179.2167.5-1630109.5L9 E56 F60 Y64L9-K42 PolarHBondContact N-O 2.89Å; K42-E56 IonicContact NZ-OE1 3.99Å; K42-E56 PolarHBondContact NZ-OE1 3.2Å; K42-E56 IonicContact NZ-OE2 2.74Å; K42-F60 HydrophobicContact CB-CE1 4.38Å; K42-F60 HydrophobicContact CB-CZ 4.08Å; K42-F60 HydrophobicContact CD-CE2 3.73Å; K42-F60 HydrophobicContact CD-CZ 3.48Å; K42-F60 VanDerWaalsContact CD-CZ 3.48Å; K42-F60 HydrophobicContact CG-CE1 4.44Å; K42-F60 HydrophobicContact CG-CE2 4.46Å; K42-F60 HydrophobicContact CG-CZ 3.71Å; K42-Y64 HydrophobicContact CB-CE2 4.22Å; K42-Y64 WeakPolarHBondContact CB-OH 3.33Å
43I98.8Very high98Very high65 Ų6546 Ų4633%0.33324%0.237SC..EExtended strand (participates in β ladder)trans-113133.4164.7-56.2177.6000105.9L9 V11 S26 L40L9-I43 HydrophobicContact CB-CG1 4.28Å; L9-I43 HydrophobicContact CB-CG2 4.5Å; L9-I43 HydrophobicContact CD2-CG1 4.34Å; L9-I43 HydrophobicContact CD2-CG2 4.09Å; L9-I43 HydrophobicContact CG-CG2 4.36Å; L9-I43 CarbonylContact O-C 3.18Å; L9-I43 WeakPolarHBondContact O-CA 3.06Å; V11-I43 HydrophobicContact CG2-CG2 4.26Å; S26-I43 WeakPolarHBondContact OG-CG2 3.05Å; L40-I43 HydrophobicContact CD1-CG1 4.45Å; L40-I43 HydrophobicContact CD2-CD1 3.89Å; L40-I43 HydrophobicContact CD2-CG1 3.9Å; L40-I43 HydrophobicContact CG-CG1 4.32Å
44S98.7Very high98Very high19 Ų1946.1 Ų46.113%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-125.3138.3172.6-160.50000108.8L9 I10 V11 E56L9-S44 PolarHBondContact O-N 3.36Å; I10-S44 CarbonylContact C-O 3.15Å; I10-S44 WeakPolarHBondContact CA-O 3.21Å; V11-S44 PolarHBondContact N-O 2.83Å; S44-E56 WeakPolarHBondContact CB-OE1 3.43Å; S44-E56 PolarHBondContact OG-OE1 3.18Å
45V98.7Very high98.1Very high55 Ų5550.2 Ų50.233%0.33325%0.253SS..EExtended strand (participates in β ladder)trans-118.7121.8177.7-171.40000107.3V11 I16 L17V11-V45 HydrophobicContact CB-CB 4.47Å; V11-V45 HydrophobicContact CB-CG1 4.28Å; V11-V45 HydrophobicContact CB-CG2 4.16Å; V11-V45 HydrophobicContact CG1-CG1 4.33Å; V11-V45 WeakPolarHBondContact O-CA 3.24Å; I16-V45 HydrophobicContact CB-CG1 4.05Å; I16-V45 HydrophobicContact CG2-CG1 3.57Å; L17-V45 HydrophobicContact CD2-CB 4.25Å; L17-V45 HydrophobicContact CD2-CG1 3.71Å; L17-V45 HydrophobicContact CG-CG1 4.17Å
46I98.7Very high98.3Very high18 Ų1845.8 Ų45.89%0.09223%0.229CC..EExtended strand (participates in β ladder)trans-135.1157.8-171.162.6171000111.1I10 V11 I12 G13 I53 E56I10-I46 HydrophobicContact CG2-CD1 3.49Å; I10-I46 VanDerWaalsContact CG2-CD1 3.49Å; I10-I46 HydrophobicContact CG2-CG1 3.79Å; V11-I46 PolarHBondContact O-N 3.05Å; I12-I46 HydrophobicContact CG1-CD1 4.14Å; I12-I46 HydrophobicContact CG1-CG1 3.95Å; G13-I46 PolarHBondContact N-O 3.34Å; I46-I53 HydrophobicContact CD1-CB 4.27Å; I46-I53 HydrophobicContact CD1-CG1 3.76Å; I46-E56 HydrophobicContact CD1-CB 4.12Å; I46-E56 HydrophobicContact CG2-CG 4.48Å
47P98.3Very high98.4Very high46 Ų4645.6 Ų45.630%0.29923%0.228SC..  trans-71.4167.8179.829.9-36.8000112.5D14 L17 D49 A52D14-P47 WeakPolarHBondContact OD1-CA 3.28Å; D14-P47 WeakPolarHBondContact OD1-CB 3.16Å; L17-P47 HydrophobicContact CD1-CB 3.93Å; L17-P47 HydrophobicContact CD1-CG 4.45Å; P47-D49 HydrophobicContact CG-CB 4.21Å; P47-D49 PolarHBondContact O-N 3.19Å; P47-A52 HydrophobicContact CG-CB 4.15Å
48D97.8Very high98.4Very high27 Ų2750.3 Ų50.314%0.14425%0.246CC..SBendtrans-73.658.6171.2-69.9-62000111.7I12 G13 D14 V80I12-D48 WeakPolarHBondContact CG2-OD1 3.18Å; G13-D48 VanDerWaalsContact CA-OD2 3.26Å; G13-D48 WeakPolarHBondContact CA-OD2 3.44Å; D14-D48 PolarHBondContact N-OD2 3.43Å; D14-D48 PolarHBondContact OD1-N 3.29Å; D48-V80 WeakPolarHBondContact O-CG2 3.33Å
49D98.4Very high98.4Very high74 Ų7452.6 Ų52.640%0.39626%0.258SS..  trans-124.7127.1-179.7174.677.8000110.6P47 D51 A52 I53P47-D49 HydrophobicContact CG-CB 4.21Å; P47-D49 PolarHBondContact O-N 3.19Å; D49-D51 PolarHBondContact O-N 3.25Å; D49-D51 VanDerWaalsContact O-N 3.14Å; D49-D51 WeakPolarHBondContact OD2-CA 3.29Å; D49-D51 WeakPolarHBondContact OD2-CB 3.35Å; D49-D51 PolarHBondContact OD2-N 3.03Å; D49-A52 HydrophobicContact CB-CB 4.12Å; D49-A52 PolarHBondContact O-N 2.98Å; D49-A52 PolarHBondContact OD2-N 2.68Å; D49-I53 WeakPolarHBondContact O-CB 3.23Å; D49-I53 WeakPolarHBondContact O-CD1 3.46Å; D49-I53 WeakPolarHBondContact O-CG1 3.35Å; D49-I53 PolarHBondContact O-N 3.05Å
50S98.1Very high98.5Very high36 Ų3648.3 Ų48.325%0.25224%0.242SC..Hα-helixtrans-62-26.9-174.961.10000113.4S54 G84S50-S54 WeakPolarHBondContact O-CB 3.25Å; S50-S54 PolarHBondContact O-N 3.32Å; S50-G84 WeakPolarHBondContact O-CA 3.42Å
51D98.6Very high98.5Very high78 Ų7847.9 Ų47.942%0.41724%0.239SC..Hα-helixtrans-83.8-43.5-174.4-67.417.6000109.8D49 I53 S54 E55 K87D49-D51 PolarHBondContact O-N 3.25Å; D49-D51 VanDerWaalsContact O-N 3.14Å; D49-D51 WeakPolarHBondContact OD2-CA 3.29Å; D49-D51 WeakPolarHBondContact OD2-CB 3.35Å; D49-D51 PolarHBondContact OD2-N 3.03Å; D51-I53 VanDerWaalsContact C-N 3.35Å; D51-S54 PolarHBondContact O-N 2.86Å; D51-E55 WeakPolarHBondContact O-CB 3.08Å; D51-E55 PolarHBondContact O-N 3.31Å; D51-K87 IonicContact OD1-NZ 2.61Å; D51-K87 PolarHBondContact OD1-NZ 2.76Å; D51-K87 IonicContact OD2-NZ 2.96Å; D51-K87 PolarHBondContact OD2-NZ 2.85Å
52A98.7Very high98.5Very high25 Ų2546.5 Ų46.521%0.20724%0.243CC..Hα-helixtrans-58.5-45.4169.700000111.6P47 D49 E55 E56P47-A52 HydrophobicContact CG-CB 4.15Å; D49-A52 HydrophobicContact CB-CB 4.12Å; D49-A52 PolarHBondContact O-N 2.98Å; D49-A52 PolarHBondContact OD2-N 2.68Å; A52-E55 PolarHBondContact O-N 3.17Å; A52-E56 PolarHBondContact O-N 3.23Å
53I98.9Very high98.5Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-62.4-46.1175.7-64.5163.3000110.1I12 I46 D49 D51 E55 E56 V57 V80I12-I53 HydrophobicContact CD1-CD1 4.15Å; I12-I53 HydrophobicContact CD1-CG1 3.97Å; I12-I53 HydrophobicContact CD1-CG2 4.12Å; I12-I53 HydrophobicContact CG1-CG1 4.27Å; I12-I53 HydrophobicContact CG2-CD1 3.62Å; I12-I53 HydrophobicContact CG2-CG1 3.99Å; I46-I53 HydrophobicContact CD1-CB 4.27Å; I46-I53 HydrophobicContact CD1-CG1 3.76Å; D49-I53 WeakPolarHBondContact O-CB 3.23Å; D49-I53 WeakPolarHBondContact O-CD1 3.46Å; D49-I53 WeakPolarHBondContact O-CG1 3.35Å; D49-I53 PolarHBondContact O-N 3.05Å; D51-I53 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 2.83Å; I53-E56 PolarHBondContact O-N 2.73Å; I53-V57 HydrophobicContact CG2-CG2 3.98Å; I53-V57 VanDerWaalsContact O-CB 3.23Å; I53-V57 WeakPolarHBondContact O-CB 3.39Å; I53-V57 WeakPolarHBondContact O-CG2 3.35Å; I53-V57 PolarHBondContact O-N 3.17Å; I53-V80 HydrophobicContact CD1-CG2 3.96Å
54S98.8Very high98.4Very high3 Ų350 Ų502%0.02125%0.251CS..Hα-helixtrans-59.6-45.2-179.8-1770000112.6S50 D51 R58 G84 K87 A88S50-S54 WeakPolarHBondContact O-CB 3.25Å; S50-S54 PolarHBondContact O-N 3.32Å; D51-S54 PolarHBondContact O-N 2.86Å; S54-R58 WeakPolarHBondContact O-CB 3.3Å; S54-R58 PolarHBondContact O-N 3Å; S54-R58 VanDerWaalsContact O-N 3.07Å; S54-R58 PolarHBondContact OG-NH2 3.28Å; S54-G84 WeakPolarHBondContact CA-O 3.18Å; S54-K87 VanDerWaalsContact OG-C 3.31Å; S54-A88 WeakPolarHBondContact O-CB 3.19Å; S54-A88 VanDerWaalsContact OG-CA 3.25Å; S54-A88 WeakPolarHBondContact OG-CA 3.27Å; S54-A88 PolarHBondContact OG-N 3.33Å
55E98.7Very high98.4Very high136 Ų13652.9 Ų52.964%0.63627%0.265SS*.Hα-helixtrans-63.2-50.9178.5-175.9176.818000111.5D51 A52 I53 R58 N59D51-E55 WeakPolarHBondContact O-CB 3.08Å; D51-E55 PolarHBondContact O-N 3.31Å; A52-E55 PolarHBondContact O-N 3.17Å; I53-E55 PolarHBondContact O-N 2.83Å; E55-R58 PolarHBondContact O-N 3.05Å; E55-N59 WeakPolarHBondContact O-CB 3.27Å; E55-N59 PolarHBondContact O-N 3.25Å
56E98.8Very high98.4Very high23 Ų2351.7 Ų51.711%0.10726%0.255CS..Hα-helixtrans-71.1-36.5-175.4-165.169.1159.300111.7I10 K42 S44 I46 A52 I53 N59 F60I10-E56 HydrophobicContact CD1-CB 4.39Å; I10-E56 HydrophobicContact CD1-CG 4.04Å; I10-E56 HydrophobicContact CG1-CG 4.12Å; I10-E56 HydrophobicContact CG2-CG 4.36Å; K42-E56 IonicContact NZ-OE1 3.99Å; K42-E56 PolarHBondContact NZ-OE1 3.2Å; K42-E56 IonicContact NZ-OE2 2.74Å; S44-E56 WeakPolarHBondContact CB-OE1 3.43Å; S44-E56 PolarHBondContact OG-OE1 3.18Å; I46-E56 HydrophobicContact CD1-CB 4.12Å; I46-E56 HydrophobicContact CG2-CG 4.48Å; A52-E56 PolarHBondContact O-N 3.23Å; I53-E56 PolarHBondContact O-N 2.73Å; E56-N59 WeakPolarHBondContact O-CB 3.42Å; E56-N59 PolarHBondContact O-N 2.98Å; E56-N59 PolarHBondContact OE2-ND2 2.89Å; E56-F60 HydrophobicContact CG-CD2 3.93Å; E56-F60 HydrophobicContact CG-CE2 3.79Å; E56-F60 HydrophobicContact CG-CZ 4.47Å; E56-F60 WeakPolarHBondContact O-CB 3.15Å; E56-F60 VanDerWaalsContact O-CD2 3.29Å; E56-F60 WeakPolarHBondContact O-CD2 3.27Å; E56-F60 PolarHBondContact O-N 2.77Å; E56-F60 WeakPolarHBondContact OE1-CE2 3.4Å
57V98.8Very high98.4Very high0 Ų050.9 Ų50.90%025%0.25CS..Hα-helixtrans-60.8-47172.5169.20000110.7I10 I53 N59 F60 M61 V85 A88 I152I10-V57 HydrophobicContact CD1-CG2 3.9Å; I53-V57 HydrophobicContact CG2-CG2 3.98Å; I53-V57 VanDerWaalsContact O-CB 3.23Å; I53-V57 WeakPolarHBondContact O-CB 3.39Å; I53-V57 WeakPolarHBondContact O-CG2 3.35Å; I53-V57 PolarHBondContact O-N 3.17Å; V57-N59 VanDerWaalsContact C-N 3.26Å; V57-N59 PolarHBondContact O-N 3.35Å; V57-F60 PolarHBondContact O-N 3.43Å; V57-M61 WeakPolarHBondContact O-CB 3Å; V57-M61 VanDerWaalsContact O-CG 3.25Å; V57-M61 WeakPolarHBondContact O-CG 3.49Å; V57-M61 PolarHBondContact O-N 3.31Å; V57-V85 HydrophobicContact CG1-CG2 4.46Å; V57-V85 HydrophobicContact CG2-CG2 3.99Å; V57-A88 HydrophobicContact CB-CB 3.87Å; V57-A88 HydrophobicContact CG1-CB 3.61Å; V57-I152 HydrophobicContact CG1-CD1 3.54Å; V57-I152 HydrophobicContact CG1-CG1 4.44Å
58R98.4Very high98.5Very high101 Ų10148.7 Ų48.738%0.38124%0.236SC..Hα-helixtrans-60.7-37.9177.3-170.6-178.4-59.8112.33.7111.5S54 E55 N62S54-R58 WeakPolarHBondContact O-CB 3.3Å; S54-R58 PolarHBondContact O-N 3Å; S54-R58 VanDerWaalsContact O-N 3.07Å; S54-R58 PolarHBondContact OG-NH2 3.28Å; E55-R58 PolarHBondContact O-N 3.05Å; R58-N62 PolarHBondContact O-ND2 2.98Å
59N98.4Very high98.5Very high48 Ų4847.4 Ų47.426%0.25723%0.229SC..Hα-helixtrans-67-45.2176.7-169.919.1000111.9E55 E56 V57 R63E55-N59 WeakPolarHBondContact O-CB 3.27Å; E55-N59 PolarHBondContact O-N 3.25Å; E56-N59 WeakPolarHBondContact O-CB 3.42Å; E56-N59 PolarHBondContact O-N 2.98Å; E56-N59 PolarHBondContact OE2-ND2 2.89Å; V57-N59 VanDerWaalsContact C-N 3.26Å; V57-N59 PolarHBondContact O-N 3.35Å; N59-R63 VanDerWaalsContact O-CG 3.3Å; N59-R63 WeakPolarHBondContact O-CG 3.36Å; N59-R63 VanDerWaalsContact OD1-CZ 3.24Å; N59-R63 PolarHBondContact OD1-NE 2.87Å; N59-R63 PolarHBondContact OD1-NH2 3.04Å
60F98.8Very high98.5Very high1 Ų143.9 Ų43.90%0.00421%0.211CC..Hα-helixtrans-74-44.2-175.2-87.6-131.4000112.7L9 I10 K42 E56 V57 N62 R63 Y64 V67L9-F60 WeakPolarHBondContact O-CE1 3.13Å; I10-F60 HydrophobicContact CD1-CB 4.01Å; I10-F60 HydrophobicContact CD1-CD1 3.92Å; I10-F60 HydrophobicContact CD1-CD2 4.34Å; I10-F60 HydrophobicContact CD1-CG 3.83Å; I10-F60 HydrophobicContact CG1-CD1 3.58Å; I10-F60 HydrophobicContact CG1-CD2 4.43Å; I10-F60 HydrophobicContact CG1-CE1 3.73Å; I10-F60 HydrophobicContact CG1-CG 3.96Å; I10-F60 HydrophobicContact CG1-CZ 4.24Å; K42-F60 HydrophobicContact CB-CE1 4.38Å; K42-F60 HydrophobicContact CB-CZ 4.08Å; K42-F60 HydrophobicContact CD-CE2 3.73Å; K42-F60 HydrophobicContact CD-CZ 3.48Å; K42-F60 VanDerWaalsContact CD-CZ 3.48Å; K42-F60 HydrophobicContact CG-CE1 4.44Å; K42-F60 HydrophobicContact CG-CE2 4.46Å; K42-F60 HydrophobicContact CG-CZ 3.71Å; E56-F60 HydrophobicContact CG-CD2 3.93Å; E56-F60 HydrophobicContact CG-CE2 3.79Å; E56-F60 HydrophobicContact CG-CZ 4.47Å; E56-F60 WeakPolarHBondContact O-CB 3.15Å; E56-F60 VanDerWaalsContact O-CD2 3.29Å; E56-F60 WeakPolarHBondContact O-CD2 3.27Å; E56-F60 PolarHBondContact O-N 2.77Å; E56-F60 WeakPolarHBondContact OE1-CE2 3.4Å; V57-F60 PolarHBondContact O-N 3.43Å; F60-N62 PolarHBondContact O-N 2.88Å; F60-N62 VanDerWaalsContact O-N 3.12Å; F60-R63 PolarHBondContact O-N 2.61Å; F60-Y64 HydrophobicContact CB-CD2 4.04Å; F60-Y64 HydrophobicContact CB-CE2 4.35Å; F60-Y64 AromaticContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CD2 3.73Å; F60-Y64 AromaticContact CD1-CE2 3.65Å; F60-Y64 HydrophobicContact CD1-CE2 3.65Å; F60-Y64 HydrophobicContact CD2-CE2 4.08Å; F60-Y64 HydrophobicContact CE1-CD2 4.32Å; F60-Y64 AromaticContact CE1-CE2 3.85Å; F60-Y64 HydrophobicContact CE1-CE2 3.85Å; F60-Y64 HydrophobicContact CE2-CE2 4.23Å; F60-Y64 AromaticContact CG-CD2 3.88Å; F60-Y64 HydrophobicContact CG-CD2 3.88Å; F60-Y64 AromaticContact CG-CE2 3.77Å; F60-Y64 HydrophobicContact CG-CE2 3.77Å; F60-Y64 HydrophobicContact CZ-CE2 4.14Å; F60-Y64 PolarHBondContact O-N 3.14Å; F60-V67 HydrophobicContact CB-CG1 3.97Å; F60-V67 HydrophobicContact CB-CG2 3.77Å; F60-V67 HydrophobicContact CD1-CG1 4.26Å
61M98Very high98.5Very high25 Ų2542.4 Ų42.412%0.12320%0.201CC..Hα-helixtrans-61.5-25.9-175.571177.4-68.600113V57 V67 L89 K150 N151 I152V57-M61 WeakPolarHBondContact O-CB 3Å; V57-M61 VanDerWaalsContact O-CG 3.25Å; V57-M61 WeakPolarHBondContact O-CG 3.49Å; V57-M61 PolarHBondContact O-N 3.31Å; M61-V67 HydrophobicContact CB-CG2 4.45Å; M61-L89 HydrophobicContact CE-CD2 3.52Å; M61-L89 HydrophobicContact SD-CD2 3.74Å; M61-K150 HydrophobicContact CE-CD 3.7Å; M61-N151 PolarHBondContact O-ND2 3.39Å; M61-I152 HydrophobicContact CB-CD1 4.16Å; M61-I152 HydrophobicContact CB-CG1 4.24Å; M61-I152 HydrophobicContact SD-CD1 4.44Å
62N97.2Very high98.4Very high125 Ų12539 Ų3967%0.66818%0.184SC*.THydrogen-bonded Turntrans-91.2-14.9178.7-68.7-48.2000113.5R58 F60R58-N62 PolarHBondContact O-ND2 2.98Å; F60-N62 PolarHBondContact O-N 2.88Å; F60-N62 VanDerWaalsContact O-N 3.12Å
63R98.3Very high98.3Very high173 Ų17338.5 Ų38.565%0.65318%0.178SC*.THydrogen-bonded Turntrans-106.2-24.5-175.9-72.3-176.4-169.9-140.26114N59 F60N59-R63 VanDerWaalsContact O-CG 3.3Å; N59-R63 WeakPolarHBondContact O-CG 3.36Å; N59-R63 VanDerWaalsContact OD1-CZ 3.24Å; N59-R63 PolarHBondContact OD1-NE 2.87Å; N59-R63 PolarHBondContact OD1-NH2 3.04Å; F60-R63 PolarHBondContact O-N 2.61Å
64Y98.6Very high98Very high36 Ų3639.9 Ų39.914%0.14119%0.192CC..  trans-123.6146.6-174.7-53-59.2000111.3S6 R41 K42 F60 Y66 N151S6-Y64 WeakPolarHBondContact OG-CA 3.48Å; R41-Y64 HydrophobicContact CB-CD1 3.99Å; R41-Y64 HydrophobicContact CB-CE1 3.5Å; R41-Y64 HydrophobicContact CG-CD1 4.25Å; R41-Y64 HydrophobicContact CG-CE1 4.16Å; K42-Y64 HydrophobicContact CB-CE2 4.22Å; K42-Y64 WeakPolarHBondContact CB-OH 3.33Å; F60-Y64 HydrophobicContact CB-CD2 4.04Å; F60-Y64 HydrophobicContact CB-CE2 4.35Å; F60-Y64 AromaticContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CD2 3.73Å; F60-Y64 AromaticContact CD1-CE2 3.65Å; F60-Y64 HydrophobicContact CD1-CE2 3.65Å; F60-Y64 HydrophobicContact CD2-CE2 4.08Å; F60-Y64 HydrophobicContact CE1-CD2 4.32Å; F60-Y64 AromaticContact CE1-CE2 3.85Å; F60-Y64 HydrophobicContact CE1-CE2 3.85Å; F60-Y64 HydrophobicContact CE2-CE2 4.23Å; F60-Y64 AromaticContact CG-CD2 3.88Å; F60-Y64 HydrophobicContact CG-CD2 3.88Å; F60-Y64 AromaticContact CG-CE2 3.77Å; F60-Y64 HydrophobicContact CG-CE2 3.77Å; F60-Y64 HydrophobicContact CZ-CE2 4.14Å; F60-Y64 PolarHBondContact O-N 3.14Å; Y64-Y66 WeakPolarHBondContact CB-O 3.26Å; Y64-Y66 PolarHBondContact O-N 3.26Å; Y64-N151 PolarHBondContact O-ND2 3.27Å
65D98.5Very high97.5Very high81 Ų8142.1 Ų42.143%0.43321%0.208SC..SBendtrans-63.6-35.2178.1-59.8-78.4000111.2K5 S6 N151K5-D65 HydrophobicContact CB-CB 3.93Å; K5-D65 HydrophobicContact CD-CB 4.4Å; K5-D65 HydrophobicContact CG-CB 4.26Å; S6-D65 WeakPolarHBondContact CB-OD2 3.41Å; S6-D65 PolarHBondContact N-OD2 2.62Å; S6-D65 WeakPolarHBondContact O-CB 3.26Å; S6-D65 PolarHBondContact O-N 3.11Å; S6-D65 VanDerWaalsContact O-N 3.16Å; S6-D65 PolarHBondContact OG-N 2.63Å; S6-D65 PolarHBondContact OG-OD2 2.95Å; D65-N151 VanDerWaalsContact O-CB 3.24Å; D65-N151 WeakPolarHBondContact O-CB 3.49Å; D65-N151 PolarHBondContact O-ND2 3.06Å
66Y98.7Very high97.1Very high30 Ų3039.1 Ų39.112%0.11820%0.199CC..EExtended strand (participates in β ladder)trans-132.1147.2175.4-57.9-61.8000111.5K5 S6 L7 G8 V38 Y64 F153 I173K5-Y66 HydrophobicContact CB-CD2 4.31Å; K5-Y66 HydrophobicContact CB-CE2 3.97Å; K5-Y66 HydrophobicContact CD-CD2 4.46Å; K5-Y66 HydrophobicContact CD-CE2 3.46Å; K5-Y66 VanDerWaalsContact CD-CE2 3.46Å; K5-Y66 HydrophobicContact CG-CE2 4.38Å; K5-Y66 PolarHBondContact NZ-OH 2.82Å; S6-Y66 PolarHBondContact O-N 2.83Å; L7-Y66 WeakPolarHBondContact CA-O 3.38Å; G8-Y66 PolarHBondContact N-O 3.35Å; V38-Y66 HydrophobicContact CG1-CD2 4.25Å; V38-Y66 HydrophobicContact CG1-CE2 4.16Å; Y64-Y66 WeakPolarHBondContact CB-O 3.26Å; Y64-Y66 PolarHBondContact O-N 3.26Å; Y66-F153 AromaticContact CD1-CE2 3.84Å; Y66-F153 HydrophobicContact CD1-CE2 3.84Å; Y66-F153 HydrophobicContact CE1-CE2 4.46Å; Y66-I173 HydrophobicContact CD1-CG2 3.82Å; Y66-I173 HydrophobicContact CD2-CB 4.11Å; Y66-I173 HydrophobicContact CD2-CG2 4.17Å; Y66-I173 HydrophobicContact CE1-CB 4.47Å; Y66-I173 HydrophobicContact CE1-CG2 3.95Å; Y66-I173 HydrophobicContact CE2-CB 4.03Å; Y66-I173 HydrophobicContact CE2-CG2 4.31Å; Y66-I173 HydrophobicContact CG-CB 4.37Å; Y66-I173 HydrophobicContact CG-CG2 3.92Å
67V98.8Very high96.6Very high0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-126.7130.7172.9-176.20000108.6G8 I10 F60 M61 N151 I152 F153G8-V67 WeakPolarHBondContact O-CA 3.47Å; I10-V67 HydrophobicContact CD1-CG1 3.95Å; I10-V67 HydrophobicContact CG1-CG1 4.42Å; F60-V67 HydrophobicContact CB-CG1 3.97Å; F60-V67 HydrophobicContact CB-CG2 3.77Å; F60-V67 HydrophobicContact CD1-CG1 4.26Å; M61-V67 HydrophobicContact CB-CG2 4.45Å; V67-N151 PolarHBondContact N-O 3.24Å; V67-I152 HydrophobicContact CB-CB 4.44Å; V67-I152 HydrophobicContact CB-CG1 4.09Å; V67-I152 HydrophobicContact CB-CG2 4.39Å; V67-I152 HydrophobicContact CG1-CG2 4.36Å; V67-I152 HydrophobicContact CG2-CG1 4.49Å; V67-I152 CarbonylContact O-C 3.01Å; V67-I152 WeakPolarHBondContact O-CA 3.47Å; V67-F153 PolarHBondContact O-N 2.91Å
68I98.8Very high96.3Very high0 Ų049.5 Ų49.50%025%0.249CC..EExtended strand (participates in β ladder)trans-113.3132.4170.3-70.9171.1000107.7L7 G8 L9 I10 L29 F153 L155 F162 L166 I169 I173L7-I68 HydrophobicContact CD1-CB 4.42Å; L7-I68 HydrophobicContact CD1-CD1 3.83Å; L7-I68 HydrophobicContact CD1-CG1 3.87Å; L7-I68 HydrophobicContact CD2-CD1 4.15Å; G8-I68 PolarHBondContact O-N 2.59Å; L9-I68 CarbonylContact C-O 3.52Å; L9-I68 WeakPolarHBondContact CA-O 3.23Å; L9-I68 HydrophobicContact CD1-CB 4.23Å; L9-I68 HydrophobicContact CD1-CG2 3.81Å; L9-I68 WeakPolarHBondContact CD1-O 3.3Å; I10-I68 PolarHBondContact N-O 3.42Å; L29-I68 HydrophobicContact CD1-CD1 3.91Å; L29-I68 HydrophobicContact CD2-CD1 4.17Å; I68-F153 WeakPolarHBondContact CA-O 3.46Å; I68-F153 HydrophobicContact CG1-CB 4.21Å; I68-L155 HydrophobicContact CG2-CD1 4.23Å; I68-L155 HydrophobicContact CG2-CD2 4.15Å; I68-F162 HydrophobicContact CG2-CE2 4.03Å; I68-F162 HydrophobicContact CG2-CZ 4.26Å; I68-L166 HydrophobicContact CD1-CD2 4.25Å; I68-I169 HydrophobicContact CD1-CD1 3.63Å; I68-I169 HydrophobicContact CG1-CD1 4.06Å; I68-I173 HydrophobicContact CD1-CD1 4.42Å
69T98.8Very high96.2Very high0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-99.7155.5164.374.60000110.2I10 I12 I152 F153 I154 L155I10-T69 HydrophobicContact CB-CG2 4.46Å; I10-T69 CarbonylContact O-C 3.56Å; I10-T69 WeakPolarHBondContact O-CA 3.25Å; I12-T69 HydrophobicContact CD1-CG2 4.31Å; T69-I152 HydrophobicContact CG2-CG2 4.25Å; T69-F153 PolarHBondContact N-O 3.49Å; T69-I154 WeakPolarHBondContact OG1-CA 3.06Å; T69-I154 VanDerWaalsContact OG1-CG2 3.29Å; T69-I154 WeakPolarHBondContact OG1-CG2 3.37Å; T69-L155 VanDerWaalsContact O-CB 3.27Å; T69-L155 WeakPolarHBondContact O-CB 3.25Å; T69-L155 PolarHBondContact O-N 2.86Å; T69-L155 VanDerWaalsContact O-N 3.1Å
70S98.5Very high96.2Very high1 Ų145 Ų451%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-137112.1173.7-172.60000109.8I10 I12 N25 L155 P156 F162I10-S70 PolarHBondContact O-N 3.09Å; I12-S70 PolarHBondContact N-O 3.06Å; N25-S70 PolarHBondContact ND2-OG 2.95Å; S70-L155 WeakPolarHBondContact CA-O 3.31Å; S70-P156 PolarHBondContact OG-O 2.89Å; S70-F162 WeakPolarHBondContact OG-CD2 3.48Å
71G97.8Very high96.2Very high4 Ų445 Ų454%0.04123%0.233CC..SBendtrans109.1174.8177.400000114.9I12 I73 T81 L155I12-G71 WeakPolarHBondContact O-CA 3.39Å; G71-I73 PolarHBondContact O-N 2.78Å; G71-T81 PolarHBondContact O-OG1 3.12Å; G71-L155 PolarHBondContact N-O 3.18Å
72G96.6Very high96.2Very high7 Ų744.1 Ų44.17%0.07223%0.229CC..  trans63.829.1176.300000116.5D79 V80 T81G72-D79 WeakPolarHBondContact CA-OD1 3.37Å; G72-D79 CarbonylContact O-C 3.53Å; G72-D79 WeakPolarHBondContact O-CA 3.35Å; G72-V80 PolarHBondContact O-N 2.96Å; G72-T81 VanDerWaalsContact CA-OG1 3.27Å; G72-T81 WeakPolarHBondContact CA-OG1 3.44Å; G72-T81 WeakPolarHBondContact O-CB 3.35Å; G72-T81 PolarHBondContact O-N 3Å; G72-T81 PolarHBondContact O-OG1 2.87Å; G72-T81 VanDerWaalsContact O-OG1 3.1Å
73I96Very high96.3Very high15 Ų1541 Ų418%0.07721%0.21CC..  trans-120.17.4-178.264.3163.8000115.2G71 D79 T81 Y82 L121 I154 P156G71-I73 PolarHBondContact O-N 2.78Å; I73-D79 PolarHBondContact N-OD1 3.1Å; I73-T81 HydrophobicContact CG2-CG2 4.06Å; I73-Y82 HydrophobicContact CB-CE2 3.96Å; I73-Y82 HydrophobicContact CG2-CD2 4.49Å; I73-Y82 HydrophobicContact CG2-CE1 4.21Å; I73-Y82 HydrophobicContact CG2-CE2 4.04Å; I73-L121 WeakPolarHBondContact O-CD2 3.28Å; I73-I154 HydrophobicContact CG2-CG2 3.51Å; I73-P156 HydrophobicContact CD1-CB 3.91Å; I73-P156 HydrophobicContact CG1-CB 4.38Å
74G92.1Very high96.3Very high28 Ų2832.8 Ų32.829%0.28918%0.179SC..SBendtrans-72-168.7174.500000113.7D79 L121G74-D79 VanDerWaalsContact C-CG 3.46Å; G74-D79 WeakPolarHBondContact CA-OD2 3.36Å; G74-D79 PolarHBondContact N-OD1 3.32Å; G74-D79 PolarHBondContact N-OD2 2.99Å; G74-D79 VanDerWaalsContact O-CB 3.29Å; G74-D79 WeakPolarHBondContact O-CB 3.47Å; G74-L121 VanDerWaalsContact C-CD2 3.45Å
75S89.4Confident96.3Very high51 Ų5131 Ų3136%0.35717%0.172SC..SBendtrans-94.9-6.9-175.458.10000113.6D79S75-D79 PolarHBondContact N-OD2 3.44Å
76T90.3Very high96.3Very high72 Ų7227.3 Ų27.344%0.44215%0.153SC..SBendtrans-79.9168.3-178.252.60000110.7D78 D79 K120T76-D78 VanDerWaalsContact C-N 3.3Å; T76-D78 WeakPolarHBondContact CB-OD1 3.13Å; T76-D78 PolarHBondContact O-N 3.1Å; T76-D78 PolarHBondContact OG1-OD1 3.39Å; T76-D79 PolarHBondContact N-OD2 3.43Å; T76-D79 PolarHBondContact O-N 2.95Å; T76-D79 PolarHBondContact OG1-OD2 3.4Å; T76-K120 PolarHBondContact O-NZ 3.35Å
77H88.6Confident96.3Very high171 Ų17130.4 Ų30.479%0.79217%0.167SC*.THydrogen-bonded Turntrans-70.6-28-168.158.4-79.9000113.2
78D92.6Very high96.3Very high71 Ų7130.7 Ų30.738%0.3817%0.169SC..THydrogen-bonded Turntrans-73.4-21.517650.7-28.5000113.8T76 V80T76-D78 VanDerWaalsContact C-N 3.3Å; T76-D78 WeakPolarHBondContact CB-OD1 3.13Å; T76-D78 PolarHBondContact O-N 3.1Å; T76-D78 PolarHBondContact OG1-OD1 3.39Å; D78-V80 PolarHBondContact O-N 3.48Å
79D96.5Very high96.2Very high28 Ų2831.4 Ų31.415%0.1517%0.173CC..  trans-7387.8176.8-72.3-69.9000112.5G72 I73 G74 S75 T76 K120G72-D79 WeakPolarHBondContact CA-OD1 3.37Å; G72-D79 CarbonylContact O-C 3.53Å; G72-D79 WeakPolarHBondContact O-CA 3.35Å; I73-D79 PolarHBondContact N-OD1 3.1Å; G74-D79 VanDerWaalsContact C-CG 3.46Å; G74-D79 WeakPolarHBondContact CA-OD2 3.36Å; G74-D79 PolarHBondContact N-OD1 3.32Å; G74-D79 PolarHBondContact N-OD2 2.99Å; G74-D79 VanDerWaalsContact O-CB 3.29Å; G74-D79 WeakPolarHBondContact O-CB 3.47Å; S75-D79 PolarHBondContact N-OD2 3.44Å; T76-D79 PolarHBondContact N-OD2 3.43Å; T76-D79 PolarHBondContact O-N 2.95Å; T76-D79 PolarHBondContact OG1-OD2 3.4Å; D79-K120 WeakPolarHBondContact O-CE 3.42Å; D79-K120 PolarHBondContact O-NZ 3.46Å
80V97.6Very high96.2Very high26 Ų2638.3 Ų38.316%0.15821%0.21CC..  trans-114.815.8-171.9-63.20000114.7D48 I53 G72 D78 Y82 E83 G84D48-V80 WeakPolarHBondContact O-CG2 3.33Å; I53-V80 HydrophobicContact CD1-CG2 3.96Å; G72-V80 PolarHBondContact O-N 2.96Å; D78-V80 PolarHBondContact O-N 3.48Å; V80-Y82 PolarHBondContact O-N 3.03Å; V80-E83 WeakPolarHBondContact CA-OE2 3.46Å; V80-E83 PolarHBondContact O-N 3.23Å; V80-G84 PolarHBondContact O-N 2.86Å
81T98.6Very high96.2Very high0 Ų040.5 Ų40.50%022%0.22CC..Hα-helixtrans-61.6-42.1-176.8-65.20000112.7I12 G71 G72 I73 G84 V85 I154I12-T81 HydrophobicContact CD1-CG2 3.61Å; I12-T81 VanDerWaalsContact CD1-OG1 3.3Å; I12-T81 WeakPolarHBondContact CD1-OG1 3.48Å; G71-T81 PolarHBondContact O-OG1 3.12Å; G72-T81 VanDerWaalsContact CA-OG1 3.27Å; G72-T81 WeakPolarHBondContact CA-OG1 3.44Å; G72-T81 WeakPolarHBondContact O-CB 3.35Å; G72-T81 PolarHBondContact O-N 3Å; G72-T81 PolarHBondContact O-OG1 2.87Å; G72-T81 VanDerWaalsContact O-OG1 3.1Å; I73-T81 HydrophobicContact CG2-CG2 4.06Å; T81-G84 PolarHBondContact O-N 3.15Å; T81-V85 HydrophobicContact CG2-CG2 4.36Å; T81-V85 VanDerWaalsContact O-CG2 3.27Å; T81-V85 WeakPolarHBondContact O-CG2 3.44Å; T81-V85 PolarHBondContact O-N 2.87Å; T81-I154 HydrophobicContact CG2-CG2 3.61Å
82Y98.5Very high96.1Very high8 Ų847.5 Ų47.53%0.03125%0.249CC..Hα-helixtrans-64.4-43.9178.9-70.4-48.5000111.6I73 V80 V85 A86 I93 I124 V147 I154I73-Y82 HydrophobicContact CB-CE2 3.96Å; I73-Y82 HydrophobicContact CG2-CD2 4.49Å; I73-Y82 HydrophobicContact CG2-CE1 4.21Å; I73-Y82 HydrophobicContact CG2-CE2 4.04Å; V80-Y82 PolarHBondContact O-N 3.03Å; Y82-V85 PolarHBondContact O-N 2.89Å; Y82-A86 WeakPolarHBondContact O-CB 3.29Å; Y82-A86 PolarHBondContact O-N 2.93Å; Y82-I93 WeakPolarHBondContact O-CD1 3.36Å; Y82-I124 HydrophobicContact CD1-CB 4.41Å; Y82-I124 HydrophobicContact CD1-CG2 4.03Å; Y82-I124 HydrophobicContact CD2-CG2 3.97Å; Y82-I124 HydrophobicContact CE1-CG2 4.01Å; Y82-I124 HydrophobicContact CE2-CG2 3.93Å; Y82-I124 HydrophobicContact CG-CG2 4.04Å; Y82-V147 HydrophobicContact CD1-CG1 4.41Å; Y82-V147 HydrophobicContact CE1-CB 3.69Å; Y82-V147 HydrophobicContact CE1-CG1 3.85Å; Y82-V147 HydrophobicContact CE1-CG2 3.73Å; Y82-V147 WeakPolarHBondContact OH-CG2 3.44Å; Y82-I154 HydrophobicContact CD1-CD1 3.62Å; Y82-I154 HydrophobicContact CD1-CG2 4.16Å; Y82-I154 HydrophobicContact CE1-CB 4.02Å; Y82-I154 HydrophobicContact CE1-CD1 3.7Å; Y82-I154 HydrophobicContact CE1-CG1 4.46Å; Y82-I154 HydrophobicContact CE1-CG2 3.69Å
83E98.4Very high96.2Very high59 Ų5949.9 Ų49.928%0.27626%0.26SS..Hα-helixtrans-59.7-46.4176-67.684167.200111.4V80 A86 K87 I93V80-E83 WeakPolarHBondContact CA-OE2 3.46Å; V80-E83 PolarHBondContact O-N 3.23Å; E83-A86 PolarHBondContact O-N 2.94Å; E83-K87 WeakPolarHBondContact O-CB 3.35Å; E83-K87 PolarHBondContact O-N 2.79Å; E83-I93 HydrophobicContact CG-CG1 4.38Å
84G98.6Very high96.2Very high0 Ų051.7 Ų51.70%027%0.269CS..Hα-helixtrans-61.9-42.5176.300000112.8S50 S54 V80 T81 K87 A88S50-G84 WeakPolarHBondContact O-CA 3.42Å; S54-G84 WeakPolarHBondContact CA-O 3.18Å; V80-G84 PolarHBondContact O-N 2.86Å; T81-G84 PolarHBondContact O-N 3.15Å; G84-K87 PolarHBondContact O-N 2.9Å; G84-A88 PolarHBondContact O-N 2.88Å
85V98.7Very high96.4Very high0 Ų054.4 Ų54.40%028%0.276CS..Hα-helixtrans-65.7-45.5175.8173.30000111.4V57 T81 Y82 K87 A88 L89 P125 I152 I154V57-V85 HydrophobicContact CG1-CG2 4.46Å; V57-V85 HydrophobicContact CG2-CG2 3.99Å; T81-V85 HydrophobicContact CG2-CG2 4.36Å; T81-V85 VanDerWaalsContact O-CG2 3.27Å; T81-V85 WeakPolarHBondContact O-CG2 3.44Å; T81-V85 PolarHBondContact O-N 2.87Å; Y82-V85 PolarHBondContact O-N 2.89Å; V85-K87 VanDerWaalsContact C-N 3.29Å; V85-K87 PolarHBondContact O-N 3.41Å; V85-A88 WeakPolarHBondContact O-CB 3.35Å; V85-A88 PolarHBondContact O-N 3.1Å; V85-A88 VanDerWaalsContact O-N 3.13Å; V85-L89 HydrophobicContact CG1-CD1 3.99Å; V85-L89 WeakPolarHBondContact O-CG 3.43Å; V85-L89 PolarHBondContact O-N 2.98Å; V85-P125 HydrophobicContact CB-CG 4.39Å; V85-P125 HydrophobicContact CG1-CG 4.1Å; V85-I152 HydrophobicContact CG1-CD1 4.35Å; V85-I154 HydrophobicContact CB-CD1 4.23Å; V85-I154 HydrophobicContact CG1-CD1 4.1Å; V85-I154 HydrophobicContact CG2-CD1 3.98Å
86A98.5Very high96.7Very high2 Ų253.5 Ų53.52%0.01727%0.266CS..Hα-helixtrans-59.1-42.4175.600000111.5Y82 E83 A88 L89 N90 E91 I93 P125Y82-A86 WeakPolarHBondContact O-CB 3.29Å; Y82-A86 PolarHBondContact O-N 2.93Å; E83-A86 PolarHBondContact O-N 2.94Å; A86-A88 PolarHBondContact O-N 3.36Å; A86-L89 CarbonylContact O-C 3.47Å; A86-L89 PolarHBondContact O-N 3.26Å; A86-N90 PolarHBondContact O-N 3.49Å; A86-E91 PolarHBondContact O-N 2.98Å; A86-I93 HydrophobicContact CB-CD1 3.41Å; A86-I93 VanDerWaalsContact CB-CD1 3.41Å; A86-I93 HydrophobicContact CB-CG1 3.75Å; A86-P125 HydrophobicContact CB-CB 4.08Å; A86-P125 HydrophobicContact CB-CG 3.96Å
87K98.6Very high96.9Very high95 Ų9554.8 Ų54.841%0.41328%0.275SS..Hα-helixtrans-62.7-38.9175.1-172.6174.8176.81690112.2D51 S54 E83 G84 V85 L89 N90D51-K87 IonicContact OD1-NZ 2.61Å; D51-K87 PolarHBondContact OD1-NZ 2.76Å; D51-K87 IonicContact OD2-NZ 2.96Å; D51-K87 PolarHBondContact OD2-NZ 2.85Å; S54-K87 VanDerWaalsContact OG-C 3.31Å; E83-K87 WeakPolarHBondContact O-CB 3.35Å; E83-K87 PolarHBondContact O-N 2.79Å; G84-K87 PolarHBondContact O-N 2.9Å; V85-K87 VanDerWaalsContact C-N 3.29Å; V85-K87 PolarHBondContact O-N 3.41Å; K87-L89 PolarHBondContact O-N 3.43Å; K87-N90 PolarHBondContact O-N 3.18Å
88A98.4Very high97.1Very high6 Ų650.3 Ų50.35%0.0525%0.254CS..Hα-helixtrans-59-36.617500000112.4S54 V57 G84 V85 A86S54-A88 WeakPolarHBondContact O-CB 3.19Å; S54-A88 VanDerWaalsContact OG-CA 3.25Å; S54-A88 WeakPolarHBondContact OG-CA 3.27Å; S54-A88 PolarHBondContact OG-N 3.33Å; V57-A88 HydrophobicContact CB-CB 3.87Å; V57-A88 HydrophobicContact CG1-CB 3.61Å; G84-A88 PolarHBondContact O-N 2.88Å; V85-A88 WeakPolarHBondContact O-CB 3.35Å; V85-A88 PolarHBondContact O-N 3.1Å; V85-A88 VanDerWaalsContact O-N 3.13Å; A86-A88 PolarHBondContact O-N 3.36Å
89L98.2Very high97.1Very high15 Ų1546.9 Ų46.98%0.07924%0.236CC..Hα-helixtrans-90.8-5.9-175.8-61173.3000114.1M61 V85 A86 K87 E91 V149 K150M61-L89 HydrophobicContact CE-CD2 3.52Å; M61-L89 HydrophobicContact SD-CD2 3.74Å; V85-L89 HydrophobicContact CG1-CD1 3.99Å; V85-L89 WeakPolarHBondContact O-CG 3.43Å; V85-L89 PolarHBondContact O-N 2.98Å; A86-L89 CarbonylContact O-C 3.47Å; A86-L89 PolarHBondContact O-N 3.26Å; K87-L89 PolarHBondContact O-N 3.43Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 HydrophobicContact CB-CB 4.34Å; L89-E91 HydrophobicContact CB-CG 3.92Å; L89-V149 HydrophobicContact CD1-CB 4.09Å; L89-V149 HydrophobicContact CD1-CG1 3.33Å; L89-K150 HydrophobicContact CD2-CD 3.75Å
90N98.1Very high96.9Very high145 Ų14546.6 Ų46.678%0.77523%0.234SC*.THydrogen-bonded Turntrans56.640.6-169.7-59.2-44.3000112.8A86 K87A86-N90 PolarHBondContact O-N 3.49Å; K87-N90 PolarHBondContact O-N 3.18Å
91E97.3Very high96.5Very high48 Ų4850.4 Ų50.422%0.22425%0.25CS..  trans-112.1160.5-178.9-69.7178.1-159.200111.7A86 L89 S127A86-E91 PolarHBondContact O-N 2.98Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 HydrophobicContact CB-CB 4.34Å; L89-E91 HydrophobicContact CB-CG 3.92Å; E91-S127 PolarHBondContact OE1-OG 2.52Å; E91-S127 VanDerWaalsContact OE2-CB 3.25Å; E91-S127 WeakPolarHBondContact OE2-CB 3.48Å; E91-S127 PolarHBondContact OE2-N 2.78Å; E91-S127 VanDerWaalsContact OE2-N 3.14Å; E91-S127 PolarHBondContact OE2-OG 2.87Å
92K97.6Very high96.1Very high150 Ų15050.5 Ų50.565%0.65225%0.25SS*.  trans-79.6151.3172.8-66.2175.7-176.1170.70110.2I94 E126K92-I94 HydrophobicContact CB-CG2 4.49Å; K92-E126 PolarHBondContact O-N 2.92Å
93I97.5Very high95.6Very high57 Ų5750.1 Ų50.129%0.29225%0.249SC..EExtended strand (participates in β ladder)trans-84.9126.6161.4-67.5-70000108.2Y82 E83 A86 K123 P125Y82-I93 WeakPolarHBondContact O-CD1 3.36Å; E83-I93 HydrophobicContact CG-CG1 4.38Å; A86-I93 HydrophobicContact CB-CD1 3.41Å; A86-I93 VanDerWaalsContact CB-CD1 3.41Å; A86-I93 HydrophobicContact CB-CG1 3.75Å; I93-K123 HydrophobicContact CG2-CB 3.61Å; I93-K123 HydrophobicContact CG2-CG 4.32Å; I93-P125 HydrophobicContact CD1-CG 4.35Å
94I96.9Very high95.1Very high53 Ų5352.7 Ų52.727%0.27226%0.256SS..EExtended strand (participates in β ladder)trans-120.1154.7176.266.7168.1000110.1K92 H96 K123 I124 E126K92-I94 HydrophobicContact CB-CG2 4.49Å; I94-H96 PolarHBondContact O-N 3.42Å; I94-K123 CarbonylContact O-C 3.59Å; I94-K123 VanDerWaalsContact O-CA 3.27Å; I94-K123 WeakPolarHBondContact O-CA 3.03Å; I94-I124 PolarHBondContact N-O 2.95Å; I94-I124 PolarHBondContact O-N 3.06Å; I94-E126 HydrophobicContact CD1-CB 4.49Å; I94-E126 HydrophobicContact CD1-CG 4.32Å; I94-E126 HydrophobicContact CG2-CB 4.19Å; I94-E126 HydrophobicContact CG2-CG 4.29Å
95I96Very high94.4Very high85 Ų8558.1 Ų58.144%0.43628%0.277SS..EExtended strand (participates in β ladder)trans-77.9104.2165.4-58.8173.8000107.2P97 L100 A122 K123I95-P97 WeakPolarHBondContact O-CD 3.37Å; I95-L100 HydrophobicContact CG2-CB 4.35Å; I95-L100 HydrophobicContact CG2-CD2 3.93Å; I95-A122 CarbonylContact C-O 3.59Å; I95-A122 WeakPolarHBondContact CA-O 3.35Å; I95-A122 HydrophobicContact CG2-CB 4.28Å; I95-K123 HydrophobicContact CG1-CG 3.83Å
96H95.9Very high93.7Very high33 Ų3361.1 Ų61.115%0.15329%0.292CS..  trans-71.5116.1-176.2-169.7-68000110.5I94 K98 F99 L100 A122 I124I94-H96 PolarHBondContact O-N 3.42Å; H96-K98 PolarHBondContact ND1-N 3.05Å; H96-K98 PolarHBondContact O-N 2.93Å; H96-F99 HydrophobicContact CB-CB 4.01Å; H96-F99 PolarHBondContact ND1-N 3.13Å; H96-F99 PolarHBondContact O-N 3.12Å; H96-F99 VanDerWaalsContact O-N 3.1Å; H96-L100 PolarHBondContact O-N 2.93Å; H96-A122 PolarHBondContact N-O 2.87Å; H96-I124 HydrophobicContact CB-CD1 3.6Å; H96-I124 HydrophobicContact CB-CG1 3.66Å
97P93.1Very high92.6Very high98 Ų9865 Ų6564%0.63631%0.312SS*.Hα-helixtrans-62.7-42.4-167.422.2-33000112.8I95 F99 L100 Q101I95-P97 WeakPolarHBondContact O-CD 3.37Å; P97-F99 PolarHBondContact O-N 2.99Å; P97-L100 PolarHBondContact O-N 3.32Å; P97-Q101 WeakPolarHBondContact O-CB 3.44Å; P97-Q101 PolarHBondContact O-N 3Å
98K93Very high91.1Very high77 Ų7766.4 Ų66.434%0.33532%0.318SS..Hα-helixtrans-65.8-36.8177.2-175.2171.8165.5160.70112.5H96 Q101 T102 L130 Y132 E141H96-K98 PolarHBondContact ND1-N 3.05Å; H96-K98 PolarHBondContact O-N 2.93Å; K98-Q101 PolarHBondContact O-N 3.06Å; K98-T102 PolarHBondContact O-N 3.02Å; K98-T102 PolarHBondContact O-OG1 2.87Å; K98-L130 HydrophobicContact CB-CD1 4.11Å; K98-L130 HydrophobicContact CD-CD1 4.42Å; K98-L130 HydrophobicContact CG-CD1 4.1Å; K98-Y132 WeakPolarHBondContact CE-OH 3.27Å; K98-E141 WeakPolarHBondContact CE-OE1 3.43Å; K98-E141 IonicContact NZ-OE1 2.72Å; K98-E141 PolarHBondContact NZ-OE1 3.21Å
99F93.7Very high89.3Confident0 Ų071 Ų710%035%0.348CS..Hα-helixtrans-69.7-46.2178.7-163.1176.5000109.7H96 P97 Q101 T102 L103 L121 A122 I124 L130 Y144 P145 V147H96-F99 HydrophobicContact CB-CB 4.01Å; H96-F99 PolarHBondContact ND1-N 3.13Å; H96-F99 PolarHBondContact O-N 3.12Å; H96-F99 VanDerWaalsContact O-N 3.1Å; P97-F99 PolarHBondContact O-N 2.99Å; F99-Q101 PolarHBondContact O-N 2.96Å; F99-T102 WeakPolarHBondContact O-CB 3.44Å; F99-T102 PolarHBondContact O-N 2.97Å; F99-L103 HydrophobicContact CD2-CD1 4.19Å; F99-L103 HydrophobicContact CD2-CD2 4.28Å; F99-L103 HydrophobicContact CD2-CG 3.87Å; F99-L103 HydrophobicContact CE2-CD1 4.23Å; F99-L103 HydrophobicContact CE2-CD2 3.79Å; F99-L103 HydrophobicContact CE2-CG 3.89Å; F99-L103 WeakPolarHBondContact O-CG 3.14Å; F99-L103 PolarHBondContact O-N 2.72Å; F99-L121 WeakPolarHBondContact CD1-O 3.3Å; F99-L121 WeakPolarHBondContact CE1-O 3.49Å; F99-A122 HydrophobicContact CB-CB 4.22Å; F99-A122 HydrophobicContact CD1-CB 4.49Å; F99-A122 HydrophobicContact CG-CB 4.35Å; F99-I124 HydrophobicContact CD1-CD1 4.13Å; F99-I124 HydrophobicContact CD1-CG2 4.04Å; F99-I124 HydrophobicContact CE1-CG2 4.06Å; F99-L130 HydrophobicContact CB-CD1 3.8Å; F99-L130 HydrophobicContact CB-CD2 4.25Å; F99-L130 HydrophobicContact CD1-CD2 3.98Å; F99-L130 HydrophobicContact CG-CD1 4.39Å; F99-L130 HydrophobicContact CG-CD2 4.17Å; F99-Y144 HydrophobicContact CE2-CE1 4.27Å; F99-Y144 HydrophobicContact CE2-CE2 4.09Å; F99-Y144 AromaticContact CE2-CZ 3.96Å; F99-Y144 AromaticContact CZ-CE1 3.84Å; F99-Y144 HydrophobicContact CZ-CE1 3.84Å; F99-Y144 HydrophobicContact CZ-CE2 4.2Å; F99-Y144 AromaticContact CZ-CZ 3.61Å; F99-P145 HydrophobicContact CD2-CG 3.54Å; F99-P145 HydrophobicContact CE2-CG 3.44Å; F99-P145 VanDerWaalsContact CE2-CG 3.44Å; F99-P145 HydrophobicContact CG-CG 4.18Å; F99-P145 HydrophobicContact CZ-CG 3.95Å; F99-V147 HydrophobicContact CD1-CG2 4.38Å; F99-V147 HydrophobicContact CE1-CG2 3.84Å
100L91.3Very high87.3Confident22 Ų2277 Ų7712%0.11538%0.38CS..Hα-helixtrans-56.5-39.9174.6-17764.1000111.9I95 H96 P97 L103 R104 I112 T119 A122I95-L100 HydrophobicContact CG2-CB 4.35Å; I95-L100 HydrophobicContact CG2-CD2 3.93Å; H96-L100 PolarHBondContact O-N 2.93Å; P97-L100 PolarHBondContact O-N 3.32Å; L100-L103 PolarHBondContact O-N 3.38Å; L100-R104 WeakPolarHBondContact O-CG 3.41Å; L100-R104 PolarHBondContact O-N 2.94Å; L100-I112 HydrophobicContact CD1-CG2 4.37Å; L100-T119 HydrophobicContact CD1-CG2 4.34Å; L100-A122 HydrophobicContact CB-CB 3.94Å; L100-A122 HydrophobicContact CD1-CB 4.35Å
101Q89.6Confident85.3Confident106 Ų10676.7 Ų76.750%0.49538%0.375SS..Hα-helixtrans-64.3-43.8175-171179.738.300112.1P97 K98 F99 R104 R105P97-Q101 WeakPolarHBondContact O-CB 3.44Å; P97-Q101 PolarHBondContact O-N 3Å; K98-Q101 PolarHBondContact O-N 3.06Å; F99-Q101 PolarHBondContact O-N 2.96Å; Q101-R104 PolarHBondContact O-N 2.88Å; Q101-R105 PolarHBondContact O-N 3.39Å; Q101-R105 VanDerWaalsContact O-N 3.13Å
102T89.9Confident83.4Confident1 Ų175 Ų751%0.00637%0.368CS..Hα-helixtrans-59.4-46173.4-61.20000111.3K98 F99 R104 R105 L106 Y132 S143K98-T102 PolarHBondContact O-N 3.02Å; K98-T102 PolarHBondContact O-OG1 2.87Å; F99-T102 WeakPolarHBondContact O-CB 3.44Å; F99-T102 PolarHBondContact O-N 2.97Å; T102-R104 PolarHBondContact O-N 2.8Å; T102-R105 WeakPolarHBondContact O-CB 3.18Å; T102-R105 PolarHBondContact O-N 3.38Å; T102-R105 VanDerWaalsContact O-N 3.12Å; T102-L106 HydrophobicContact CG2-CD1 3.65Å; T102-L106 HydrophobicContact CG2-CG 4.1Å; T102-L106 WeakPolarHBondContact O-CG 3.42Å; T102-L106 PolarHBondContact O-N 2.89Å; T102-Y132 HydrophobicContact CG2-CE1 4.17Å; T102-Y132 PolarHBondContact OG1-OH 2.88Å; T102-Y132 VanDerWaalsContact OG1-OH 3.12Å; T102-S143 WeakPolarHBondContact CG2-O 3.31Å
103L88.9Confident81.7Confident0 Ų070.8 Ų70.80%036%0.357CS..Hα-helixtrans-62-42.3179.2-67.2174.8000112.5F99 L100 R105 L106 L107 I112 L121 A122 Y144F99-L103 HydrophobicContact CD2-CD1 4.19Å; F99-L103 HydrophobicContact CD2-CD2 4.28Å; F99-L103 HydrophobicContact CD2-CG 3.87Å; F99-L103 HydrophobicContact CE2-CD1 4.23Å; F99-L103 HydrophobicContact CE2-CD2 3.79Å; F99-L103 HydrophobicContact CE2-CG 3.89Å; F99-L103 WeakPolarHBondContact O-CG 3.14Å; F99-L103 PolarHBondContact O-N 2.72Å; L100-L103 PolarHBondContact O-N 3.38Å; L103-R105 VanDerWaalsContact C-N 3.27Å; L103-R105 PolarHBondContact O-N 2.8Å; L103-L106 PolarHBondContact O-N 2.88Å; L103-L107 HydrophobicContact CD2-CD1 3.93Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 PolarHBondContact O-N 2.66Å; L103-I112 HydrophobicContact CB-CD1 4.35Å; L103-L121 HydrophobicContact CD1-CB 3.68Å; L103-L121 HydrophobicContact CD2-CB 4.39Å; L103-L121 HydrophobicContact CD2-CD1 4.16Å; L103-A122 HydrophobicContact CD1-CB 3.85Å; L103-Y144 HydrophobicContact CD2-CD2 4Å; L103-Y144 HydrophobicContact CD2-CE2 3.59Å
104R86.4Confident80Confident113 Ų11373.4 Ų73.443%0.42638%0.38SS..Hα-helixtrans-57.5-41.7173.8-76.9175.2175.2156.1-0.6111.4L100 Q101 T102 K108 P109 I112L100-R104 WeakPolarHBondContact O-CG 3.41Å; L100-R104 PolarHBondContact O-N 2.94Å; Q101-R104 PolarHBondContact O-N 2.88Å; T102-R104 PolarHBondContact O-N 2.8Å; R104-K108 CarbonylContact O-C 3.55Å; R104-K108 VanDerWaalsContact O-O 3.06Å; R104-P109 VanDerWaalsContact O-CA 3.23Å; R104-P109 WeakPolarHBondContact O-CA 3.39Å; R104-P109 VanDerWaalsContact O-N 3.13Å; R104-I112 HydrophobicContact CB-CD1 4.44Å; R104-I112 HydrophobicContact CG-CB 4.07Å; R104-I112 HydrophobicContact CG-CD1 3.89Å; R104-I112 HydrophobicContact CG-CG1 4.2Å
105R85.1Confident78.5Confident114 Ų11475.8 Ų75.843%0.4340%0.402SS..Hα-helixtrans-67.7-44178.2-170.1-175.6-59.6154.40112.5Q101 T102 L103 E141Q101-R105 PolarHBondContact O-N 3.39Å; Q101-R105 VanDerWaalsContact O-N 3.13Å; T102-R105 WeakPolarHBondContact O-CB 3.18Å; T102-R105 PolarHBondContact O-N 3.38Å; T102-R105 VanDerWaalsContact O-N 3.12Å; L103-R105 VanDerWaalsContact C-N 3.27Å; L103-R105 PolarHBondContact O-N 2.8Å; R105-E141 PolarHBondContact NH1-O 3.21Å; R105-E141 IonicContact NH1-OE2 3.78Å
106L84.2Confident77.4Confident64 Ų6473.4 Ų73.434%0.33539%0.39SS..Hα-helixtrans-77.9-43.5-173.2-69.1178.6000113.8T102 L103 S142T102-L106 HydrophobicContact CG2-CD1 3.65Å; T102-L106 HydrophobicContact CG2-CG 4.1Å; T102-L106 WeakPolarHBondContact O-CG 3.42Å; T102-L106 PolarHBondContact O-N 2.89Å; L103-L106 PolarHBondContact O-N 2.88Å; L106-S142 VanDerWaalsContact CD2-O 3.27Å; L106-S142 WeakPolarHBondContact CD2-O 3.44Å
107L75.7Confident76.5Confident82 Ų8276 Ų7643%0.42941%0.41SS..Hα-helixtrans-100.9-44.4-163.7-60.1175.5000112.2L103 M118L103-L107 HydrophobicContact CD2-CD1 3.93Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 PolarHBondContact O-N 2.66Å; L107-M118 HydrophobicContact CD1-CE 3.81Å; L107-M118 HydrophobicContact CD1-CG 3.73Å; L107-M118 HydrophobicContact CD1-SD 3.26Å; L107-M118 WeakPolarHBondContact CD1-SD 3.41Å
108K66.9Low75.8Confident125 Ų12573.7 Ų73.754%0.54339%0.391SS..  trans-160.1104.2176.6-67.8-171.6177.7165.30111.4R104 N110 M111R104-K108 CarbonylContact O-C 3.55Å; R104-K108 VanDerWaalsContact O-O 3.06Å; K108-N110 PolarHBondContact O-N 2.82Å; K108-M111 HydrophobicContact CB-CB 4.34Å; K108-M111 HydrophobicContact CD-CB 4.19Å
109P60Low75.5Confident103 Ų10370.5 Ų70.567%0.66938%0.378SS*.THydrogen-bonded Turntrans-54.2-29.6-178.3-28.834.9000115.1R104R104-P109 VanDerWaalsContact O-CA 3.23Å; R104-P109 WeakPolarHBondContact O-CA 3.39Å; R104-P109 VanDerWaalsContact O-N 3.13Å
110N56Low75.3Confident140 Ų14072.1 Ų72.175%0.74939%0.385SS*.THydrogen-bonded Turntrans-118.27.7-166.3-66.8-9.3000116.4K108K108-N110 PolarHBondContact O-N 2.82Å
111M55.3Low75.4Confident139 Ų13971.8 Ų71.869%0.68538%0.384SS*.THydrogen-bonded Turntrans-138.91.4-163.8-74.3-70.4145.100118.6K108 S113K108-M111 HydrophobicContact CB-CB 4.34Å; K108-M111 HydrophobicContact CD-CB 4.19Å; M111-S113 PolarHBondContact O-N 2.79Å
112I58.6Low75.6Confident14 Ų1466.8 Ų66.87%0.07236%0.36CS..  trans-8294-179.6-50.8-175.1000110.5L100 L103 R104 D116 M118 T119L100-I112 HydrophobicContact CD1-CG2 4.37Å; L103-I112 HydrophobicContact CB-CD1 4.35Å; R104-I112 HydrophobicContact CB-CD1 4.44Å; R104-I112 HydrophobicContact CG-CB 4.07Å; R104-I112 HydrophobicContact CG-CD1 3.89Å; R104-I112 HydrophobicContact CG-CG1 4.2Å; I112-D116 HydrophobicContact CG2-CB 3.92Å; I112-M118 HydrophobicContact CD1-CB 4.41Å; I112-M118 HydrophobicContact CD1-CG 4.05Å; I112-M118 HydrophobicContact CG2-CB 4.42Å; I112-T119 HydrophobicContact CG2-CG2 3.8Å
113S61.9Low75.9Confident60 Ų6070.6 Ų70.642%0.4238%0.377SS..  trans-74.1163.9167.268.80000111.3M111 S115 D116 T119M111-S113 PolarHBondContact O-N 2.79Å; S113-S115 PolarHBondContact O-N 3.36Å; S113-S115 PolarHBondContact OG-OG 3.45Å; S113-S115 VanDerWaalsContact OG-OG 3.06Å; S113-D116 VanDerWaalsContact O-CB 3.25Å; S113-D116 WeakPolarHBondContact O-CB 3.35Å; S113-D116 PolarHBondContact O-N 3.26Å; S113-D116 VanDerWaalsContact O-N 3.09Å; S113-T119 WeakPolarHBondContact O-CG2 3.4Å
114S62.1Low76.4Confident112 Ų11270.6 Ų70.678%0.78338%0.377SS*.THydrogen-bonded Turntrans-63-20.4177.448.70000114.1T119S114-T119 PolarHBondContact O-OG1 3.12Å
115S64.6Low76.9Confident104 Ų10465.2 Ų65.273%0.72736%0.356SS*.THydrogen-bonded Turntrans-89.8-2.6175.850.90000114S113S113-S115 PolarHBondContact O-N 3.36Å; S113-S115 PolarHBondContact OG-OG 3.45Å; S113-S115 VanDerWaalsContact OG-OG 3.06Å
116D74Confident77.5Confident35 Ų3564.9 Ų64.919%0.18736%0.36CS..SBendtrans-68.6128.7179.2-169.6-33.7000109.6I112 S113 M118 T119I112-D116 HydrophobicContact CG2-CB 3.92Å; S113-D116 VanDerWaalsContact O-CB 3.25Å; S113-D116 WeakPolarHBondContact O-CB 3.35Å; S113-D116 PolarHBondContact O-N 3.26Å; S113-D116 VanDerWaalsContact O-N 3.09Å; D116-M118 PolarHBondContact O-N 3.44Å; D116-M118 WeakPolarHBondContact OD1-CB 3.5Å; D116-M118 PolarHBondContact OD1-N 2.86Å; D116-T119 HydrophobicContact CB-CG2 4.35Å; D116-T119 WeakPolarHBondContact O-CB 3.24Å; D116-T119 WeakPolarHBondContact O-CG2 3.35Å; D116-T119 PolarHBondContact O-N 3.25Å; D116-T119 PolarHBondContact O-OG1 3.29Å
117P75.3Confident78.2Confident88 Ų8864.6 Ų64.657%0.57136%0.363SS*.G310 helixtrans-48.3-27.7171.4-28.935.5000113.5T119 K120P117-T119 PolarHBondContact O-N 2.9Å; P117-K120 WeakPolarHBondContact O-CB 3.35Å; P117-K120 PolarHBondContact O-N 3.45Å
118M79.8Confident79.3Confident48 Ų4861.3 Ų61.324%0.23635%0.347CS..G310 helixtrans-62.8-25.2176.2-155.460.568.500114L107 I112 D116 K120 L121L107-M118 HydrophobicContact CD1-CE 3.81Å; L107-M118 HydrophobicContact CD1-CG 3.73Å; L107-M118 HydrophobicContact CD1-SD 3.26Å; L107-M118 WeakPolarHBondContact CD1-SD 3.41Å; I112-M118 HydrophobicContact CD1-CB 4.41Å; I112-M118 HydrophobicContact CD1-CG 4.05Å; I112-M118 HydrophobicContact CG2-CB 4.42Å; D116-M118 PolarHBondContact O-N 3.44Å; D116-M118 WeakPolarHBondContact OD1-CB 3.5Å; D116-M118 PolarHBondContact OD1-N 2.86Å; M118-K120 PolarHBondContact O-N 2.87Å; M118-L121 HydrophobicContact CG-CD1 4.38Å; M118-L121 PolarHBondContact O-N 3.47Å; M118-L121 HydrophobicContact SD-CD1 3.26Å; M118-L121 WeakPolarHBondContact SD-CD1 3.18Å; M118-L121 HydrophobicContact SD-CG 4.05Å
119T85.3Confident80.7Confident10 Ų1059.7 Ų59.76%0.06134%0.341CS..G310 helixtrans-64.2-24.117462.10000112.3L100 I112 S113 S114 D116 P117 L121 A122 K123L100-T119 HydrophobicContact CD1-CG2 4.34Å; I112-T119 HydrophobicContact CG2-CG2 3.8Å; S113-T119 WeakPolarHBondContact O-CG2 3.4Å; S114-T119 PolarHBondContact O-OG1 3.12Å; D116-T119 HydrophobicContact CB-CG2 4.35Å; D116-T119 WeakPolarHBondContact O-CB 3.24Å; D116-T119 WeakPolarHBondContact O-CG2 3.35Å; D116-T119 PolarHBondContact O-N 3.25Å; D116-T119 PolarHBondContact O-OG1 3.29Å; P117-T119 PolarHBondContact O-N 2.9Å; T119-L121 VanDerWaalsContact C-N 3.3Å; T119-L121 PolarHBondContact O-N 3.18Å; T119-A122 PolarHBondContact O-N 3.49Å; T119-K123 PolarHBondContact O-N 2.89Å
120K91Very high82.4Confident35 Ų3555.8 Ų55.815%0.15232%0.315CS..G310 helixtrans-61-38.3174-173.3-179.4172.8-177.60111.7T76 D79 P117 M118 A122 K123T76-K120 PolarHBondContact O-NZ 3.35Å; D79-K120 WeakPolarHBondContact O-CE 3.42Å; D79-K120 PolarHBondContact O-NZ 3.46Å; P117-K120 WeakPolarHBondContact O-CB 3.35Å; P117-K120 PolarHBondContact O-N 3.45Å; M118-K120 PolarHBondContact O-N 2.87Å; K120-A122 PolarHBondContact O-N 3.03Å; K120-A122 VanDerWaalsContact O-N 3.14Å; K120-K123 VanDerWaalsContact O-CB 3.29Å; K120-K123 WeakPolarHBondContact O-CB 3.3Å; K120-K123 PolarHBondContact O-N 3.4Å
121L92.8Very high84.3Confident15 Ų1549.4 Ų49.48%0.07928%0.281CS..G310 helixtrans-60.5-28.7179.1-61.2-175000112.7I73 G74 F99 L103 M118 T119 Y144I73-L121 WeakPolarHBondContact O-CD2 3.28Å; G74-L121 VanDerWaalsContact C-CD2 3.45Å; F99-L121 WeakPolarHBondContact CD1-O 3.3Å; F99-L121 WeakPolarHBondContact CE1-O 3.49Å; L103-L121 HydrophobicContact CD1-CB 3.68Å; L103-L121 HydrophobicContact CD2-CB 4.39Å; L103-L121 HydrophobicContact CD2-CD1 4.16Å; M118-L121 HydrophobicContact CG-CD1 4.38Å; M118-L121 PolarHBondContact O-N 3.47Å; M118-L121 HydrophobicContact SD-CD1 3.26Å; M118-L121 WeakPolarHBondContact SD-CD1 3.18Å; M118-L121 HydrophobicContact SD-CG 4.05Å; T119-L121 VanDerWaalsContact C-N 3.3Å; T119-L121 PolarHBondContact O-N 3.18Å; L121-Y144 HydrophobicContact CD1-CE2 4.17Å
122A94.3Very high86.1Confident0 Ų043.9 Ų43.90%025%0.252CS..G310 helixtrans-87.9-2.6175.800000113.7I95 H96 F99 L100 L103 T119 K120 I124I95-A122 CarbonylContact C-O 3.59Å; I95-A122 WeakPolarHBondContact CA-O 3.35Å; I95-A122 HydrophobicContact CG2-CB 4.28Å; H96-A122 PolarHBondContact N-O 2.87Å; F99-A122 HydrophobicContact CB-CB 4.22Å; F99-A122 HydrophobicContact CD1-CB 4.49Å; F99-A122 HydrophobicContact CG-CB 4.35Å; L100-A122 HydrophobicContact CB-CB 3.94Å; L100-A122 HydrophobicContact CD1-CB 4.35Å; L103-A122 HydrophobicContact CD1-CB 3.85Å; T119-A122 PolarHBondContact O-N 3.49Å; K120-A122 PolarHBondContact O-N 3.03Å; K120-A122 VanDerWaalsContact O-N 3.14Å; A122-I124 PolarHBondContact O-N 3.47Å
123K96.4Very high87.4Confident81 Ų8144.4 Ų44.435%0.35226%0.258SS..EExtended strand (participates in β ladder)trans-83100.3174.5-72.9-177.9-175.8176.90109.2I93 I94 I95 T119 K120I93-K123 HydrophobicContact CG2-CB 3.61Å; I93-K123 HydrophobicContact CG2-CG 4.32Å; I94-K123 CarbonylContact O-C 3.59Å; I94-K123 VanDerWaalsContact O-CA 3.27Å; I94-K123 WeakPolarHBondContact O-CA 3.03Å; I95-K123 HydrophobicContact CG1-CG 3.83Å; T119-K123 PolarHBondContact O-N 2.89Å; K120-K123 VanDerWaalsContact O-CB 3.29Å; K120-K123 WeakPolarHBondContact O-CB 3.3Å; K120-K123 PolarHBondContact O-N 3.4Å
124I98Very high88Confident0 Ų047 Ų470%027%0.272CS..EExtended strand (participates in β ladder)trans-133.2164.6-173.965.5174.5000110.5Y82 I94 H96 F99 A122 S128 L130 V147Y82-I124 HydrophobicContact CD1-CB 4.41Å; Y82-I124 HydrophobicContact CD1-CG2 4.03Å; Y82-I124 HydrophobicContact CD2-CG2 3.97Å; Y82-I124 HydrophobicContact CE1-CG2 4.01Å; Y82-I124 HydrophobicContact CE2-CG2 3.93Å; Y82-I124 HydrophobicContact CG-CG2 4.04Å; I94-I124 PolarHBondContact N-O 2.95Å; I94-I124 PolarHBondContact O-N 3.06Å; H96-I124 HydrophobicContact CB-CD1 3.6Å; H96-I124 HydrophobicContact CB-CG1 3.66Å; F99-I124 HydrophobicContact CD1-CD1 4.13Å; F99-I124 HydrophobicContact CD1-CG2 4.04Å; F99-I124 HydrophobicContact CE1-CG2 4.06Å; A122-I124 PolarHBondContact O-N 3.47Å; I124-S128 VanDerWaalsContact CD1-CB 3.41Å; I124-L130 HydrophobicContact CD1-CD2 3.88Å; I124-V147 HydrophobicContact CB-CG1 4.41Å; I124-V147 HydrophobicContact CD1-CG1 4.26Å; I124-V147 HydrophobicContact CD1-CG2 4.13Å; I124-V147 HydrophobicContact CG2-CG2 3.98Å
125P98.3Very high87.7Confident0 Ų045.4 Ų45.40%027%0.273CS..EExtended strand (participates in β ladder)trans-54.6143.4176.3-24.533000112.3V85 A86 I93 S127 S128 V149V85-P125 HydrophobicContact CB-CG 4.39Å; V85-P125 HydrophobicContact CG1-CG 4.1Å; A86-P125 HydrophobicContact CB-CB 4.08Å; A86-P125 HydrophobicContact CB-CG 3.96Å; I93-P125 HydrophobicContact CD1-CG 4.35Å; P125-S127 VanDerWaalsContact C-N 3.31Å; P125-S127 PolarHBondContact O-N 3.02Å; P125-S128 WeakPolarHBondContact CD-OG 3.04Å; P125-S128 WeakPolarHBondContact O-CB 3.47Å; P125-S128 PolarHBondContact O-N 3.19Å; P125-S128 VanDerWaalsContact O-N 3.11Å; P125-S128 PolarHBondContact O-OG 2.67Å; P125-V149 HydrophobicContact CB-CG2 4.11Å; P125-V149 HydrophobicContact CG-CG2 4.08Å
126E98Very high87.1Confident108 Ų10844.6 Ų44.651%0.50526%0.26SS..THydrogen-bonded Turntrans-56.4-38.8-174.8-176.6168.4-14900114K92 I94 S128K92-E126 PolarHBondContact O-N 2.92Å; I94-E126 HydrophobicContact CD1-CB 4.49Å; I94-E126 HydrophobicContact CD1-CG 4.32Å; I94-E126 HydrophobicContact CG2-CB 4.19Å; I94-E126 HydrophobicContact CG2-CG 4.29Å; E126-S128 PolarHBondContact O-N 2.74Å
127S97.8Very high85.9Confident58 Ų5852.6 Ų52.641%0.40630%0.296SS..THydrogen-bonded Turntrans-84.716.2-179.969.30000115E91 P125 V149E91-S127 PolarHBondContact OE1-OG 2.52Å; E91-S127 VanDerWaalsContact OE2-CB 3.25Å; E91-S127 WeakPolarHBondContact OE2-CB 3.48Å; E91-S127 PolarHBondContact OE2-N 2.78Å; E91-S127 VanDerWaalsContact OE2-N 3.14Å; E91-S127 PolarHBondContact OE2-OG 2.87Å; P125-S127 VanDerWaalsContact C-N 3.31Å; P125-S127 PolarHBondContact O-N 3.02Å; S127-V149 WeakPolarHBondContact OG-CG1 3.49Å
128S98.2Very high84.6Confident13 Ų1354.6 Ų54.69%0.09130%0.299CS..  trans-68.9140.9-175.9-62.90000114.2I124 P125 E126 K148 V149I124-S128 VanDerWaalsContact CD1-CB 3.41Å; P125-S128 WeakPolarHBondContact CD-OG 3.04Å; P125-S128 WeakPolarHBondContact O-CB 3.47Å; P125-S128 PolarHBondContact O-N 3.19Å; P125-S128 VanDerWaalsContact O-N 3.11Å; P125-S128 PolarHBondContact O-OG 2.67Å; E126-S128 PolarHBondContact O-N 2.74Å; S128-K148 WeakPolarHBondContact CA-O 3.38Å; S128-V149 WeakPolarHBondContact OG-CG2 3.48Å
129E97.4Very high83.3Confident90 Ų9055 Ų5542%0.42132%0.315SS..EExtended strand (participates in β ladder)trans-104.5143166.5-175.1-177-179.200109.6L131 K148E129-L131 HydrophobicContact CG-CD2 3.97Å; E129-K148 HydrophobicContact CB-CB 4.41Å; E129-K148 PolarHBondContact N-O 2.98Å; E129-K148 PolarHBondContact O-N 3.47Å; E129-K148 IonicContact OE2-NZ 2.87Å; E129-K148 PolarHBondContact OE2-NZ 2.99Å
130L96.1Very high82.1Confident21 Ų2157.3 Ų57.311%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-103.8117.2176.6-59.7-179.7000110.3K98 F99 I124 Y132 P145 V147K98-L130 HydrophobicContact CB-CD1 4.11Å; K98-L130 HydrophobicContact CD-CD1 4.42Å; K98-L130 HydrophobicContact CG-CD1 4.1Å; F99-L130 HydrophobicContact CB-CD1 3.8Å; F99-L130 HydrophobicContact CB-CD2 4.25Å; F99-L130 HydrophobicContact CD1-CD2 3.98Å; F99-L130 HydrophobicContact CG-CD1 4.39Å; F99-L130 HydrophobicContact CG-CD2 4.17Å; I124-L130 HydrophobicContact CD1-CD2 3.88Å; L130-Y132 HydrophobicContact CB-CD2 4.43Å; L130-Y132 HydrophobicContact CB-CE2 3.62Å; L130-Y132 WeakPolarHBondContact CD1-OH 3.45Å; L130-P145 HydrophobicContact CB-CB 3.97Å; L130-P145 HydrophobicContact CD1-CG 4.47Å; L130-P145 HydrophobicContact CD2-CB 4.26Å; L130-P145 HydrophobicContact CD2-CG 4.14Å; L130-V147 HydrophobicContact CD2-CG2 4.08Å
131L95.3Very high80.9Confident7 Ų758.5 Ų58.54%0.03734%0.338CS..EExtended strand (participates in β ladder)trans-99.5129.7177.5-50.5-176.1000109.9E129 P145 I146 K148 F153 I168 I169E129-L131 HydrophobicContact CG-CD2 3.97Å; L131-P145 CarbonylContact O-C 3.51Å; L131-P145 WeakPolarHBondContact O-CA 3.45Å; L131-P145 WeakPolarHBondContact O-CB 3.36Å; L131-I146 HydrophobicContact CB-CB 4.35Å; L131-I146 PolarHBondContact N-O 3.25Å; L131-I146 PolarHBondContact O-N 2.83Å; L131-K148 HydrophobicContact CD1-CB 3.89Å; L131-K148 HydrophobicContact CD1-CD 3.94Å; L131-K148 HydrophobicContact CD2-CD 4.41Å; L131-K148 HydrophobicContact CG-CB 4.07Å; L131-F153 HydrophobicContact CD1-CD1 3.88Å; L131-F153 HydrophobicContact CD1-CE1 3.7Å; L131-I168 HydrophobicContact CB-CG2 4.02Å; L131-I169 HydrophobicContact CD1-CG2 4.23Å
132Y92.6Very high79.8Confident23 Ų2359.5 Ų59.59%0.0935%0.347CS..  trans-117.6156.2-176.8-66.2-92.3000110.8K98 T102 L130 T134 S140 E141 S143 P145K98-Y132 WeakPolarHBondContact CE-OH 3.27Å; T102-Y132 HydrophobicContact CG2-CE1 4.17Å; T102-Y132 PolarHBondContact OG1-OH 2.88Å; T102-Y132 VanDerWaalsContact OG1-OH 3.12Å; L130-Y132 HydrophobicContact CB-CD2 4.43Å; L130-Y132 HydrophobicContact CB-CE2 3.62Å; L130-Y132 WeakPolarHBondContact CD1-OH 3.45Å; Y132-T134 PolarHBondContact O-N 3.16Å; Y132-S140 WeakPolarHBondContact CB-O 3.36Å; Y132-S140 VanDerWaalsContact CD1-O 3.28Å; Y132-S140 WeakPolarHBondContact CD1-O 3.38Å; Y132-E141 HydrophobicContact CE1-CB 4.35Å; Y132-S143 WeakPolarHBondContact CD1-O 3.46Å; Y132-P145 HydrophobicContact CD1-CB 3.92Å; Y132-P145 HydrophobicContact CD2-CB 4.44Å; Y132-P145 HydrophobicContact CE1-CB 3.64Å; Y132-P145 HydrophobicContact CE1-CG 3.98Å; Y132-P145 HydrophobicContact CE2-CB 4.18Å; Y132-P145 HydrophobicContact CG-CB 4.33Å
133A87.3Confident79.2Confident24 Ų2460.3 Ų60.320%0.19835%0.352CS..  trans-62.2124.3171.700000110.8I136 S143 I168A133-I136 HydrophobicContact CB-CD1 4.41Å; A133-S143 PolarHBondContact N-OG 2.91Å; A133-I168 HydrophobicContact CB-CD1 4.19Å; A133-I168 HydrophobicContact CB-CG1 3.98Å
134T72.4Confident78.9Confident115 Ų11560.1 Ų60.171%0.70635%0.35SS*.SBendtrans-83.9135.5171.924.50000110.1Y132Y132-T134 PolarHBondContact O-N 3.16Å
135G57.7Low78.7Confident78 Ų7860.1 Ų60.180%0.80435%0.35SS*.  trans107.4-3.117100000117Q137G135-Q137 PolarHBondContact O-N 3.36Å
136I51.1Low78.6Confident87 Ų8760.6 Ų60.645%0.44635%0.352SS..  trans-71.6125.3167.1-48.9179.9000107A133 M138A133-I136 HydrophobicContact CB-CD1 4.41Å; I136-M138 CarbonylContact C-O 3.56Å; I136-M138 HydrophobicContact CG2-CB 3.92Å; I136-M138 HydrophobicContact CG2-CG 4.5Å; I136-M138 CarbonylContact O-C 3.59Å; I136-M138 PolarHBondContact O-N 3.02Å
137Q48.6Very low78.6Confident204 Ų20455.5 Ų55.595%0.95333%0.328SS*.SBendtrans-56.9-13.1175.1-71.3-176.4-13.900113.2G135G135-Q137 PolarHBondContact O-N 3.36Å
138M47.2Very low78.7Confident130 Ų13054.8 Ų54.864%0.6432%0.318SS*.SBendtrans-93.7120.3166.5-63.1-67.7-68.500107.7I136 S142I136-M138 CarbonylContact C-O 3.56Å; I136-M138 HydrophobicContact CG2-CB 3.92Å; I136-M138 HydrophobicContact CG2-CG 4.5Å; I136-M138 CarbonylContact O-C 3.59Å; I136-M138 PolarHBondContact O-N 3.02Å; M138-S142 PolarHBondContact O-OG 3.25Å
139G54.4Low78.7Confident55 Ų5554.1 Ų54.157%0.56731%0.313SS*.  trans-38142.2-169.400000114.7E141 S142G139-E141 CarbonylContact O-C 3.39Å; G139-E141 PolarHBondContact O-N 2.87Å; G139-S142 VanDerWaalsContact O-CB 3.32Å; G139-S142 WeakPolarHBondContact O-CB 3.48Å; G139-S142 PolarHBondContact O-N 3.42Å; G139-S142 PolarHBondContact O-OG 3.36Å
140S58.9Low78.7Confident60 Ų6055.4 Ų55.442%0.4232%0.318SS..G310 helixtrans-41-34-169.751.20000115.6Y132 S142 S143Y132-S140 WeakPolarHBondContact CB-O 3.36Å; Y132-S140 VanDerWaalsContact CD1-O 3.28Å; Y132-S140 WeakPolarHBondContact CD1-O 3.38Å; S140-S142 PolarHBondContact O-N 3.28Å; S140-S143 PolarHBondContact O-OG 3.41Å
141E65.7Low78.8Confident60 Ų6056 Ų5628%0.2832%0.321SS..G310 helixtrans-70.511.6175.6-54.3-176.4174.400115.9K98 R105 Y132 G139K98-E141 WeakPolarHBondContact CE-OE1 3.43Å; K98-E141 IonicContact NZ-OE1 2.72Å; K98-E141 PolarHBondContact NZ-OE1 3.21Å; R105-E141 PolarHBondContact NH1-O 3.21Å; R105-E141 IonicContact NH1-OE2 3.78Å; Y132-E141 HydrophobicContact CE1-CB 4.35Å; G139-E141 CarbonylContact O-C 3.39Å; G139-E141 PolarHBondContact O-N 2.87Å
142S69.1Low78.9Confident36 Ų3655.6 Ų55.625%0.25232%0.319SS..G310 helixtrans-92.24.3175.9-47.10000113.1L106 M138 G139 S140L106-S142 VanDerWaalsContact CD2-O 3.27Å; L106-S142 WeakPolarHBondContact CD2-O 3.44Å; M138-S142 PolarHBondContact O-OG 3.25Å; G139-S142 VanDerWaalsContact O-CB 3.32Å; G139-S142 WeakPolarHBondContact O-CB 3.48Å; G139-S142 PolarHBondContact O-N 3.42Å; G139-S142 PolarHBondContact O-OG 3.36Å; S140-S142 PolarHBondContact O-N 3.28Å
143S83.7Confident79.2Confident17 Ų1754.6 Ų54.612%0.11932%0.315CS..SBendtrans-122158.1-17960.70000110.9T102 Y132 A133 S140T102-S143 WeakPolarHBondContact CG2-O 3.31Å; Y132-S143 WeakPolarHBondContact CD1-O 3.46Å; A133-S143 PolarHBondContact N-OG 2.91Å; S140-S143 PolarHBondContact O-OG 3.41Å
144Y89.3Confident79.8Confident77 Ų7753.5 Ų53.530%0.30231%0.306SS..PPolyproline II helixtrans-67.4123.8172.4-169.1-79.4000108.9F99 L103 L121F99-Y144 HydrophobicContact CE2-CE1 4.27Å; F99-Y144 HydrophobicContact CE2-CE2 4.09Å; F99-Y144 AromaticContact CE2-CZ 3.96Å; F99-Y144 AromaticContact CZ-CE1 3.84Å; F99-Y144 HydrophobicContact CZ-CE1 3.84Å; F99-Y144 HydrophobicContact CZ-CE2 4.2Å; F99-Y144 AromaticContact CZ-CZ 3.61Å; L103-Y144 HydrophobicContact CD2-CD2 4Å; L103-Y144 HydrophobicContact CD2-CE2 3.59Å; L121-Y144 HydrophobicContact CD1-CE2 4.17Å
145P94.2Very high81Confident0 Ų048 Ų480%027%0.272CS..PPolyproline II helixtrans-78.6156.1-176.230.7-33.7000112.6F99 L130 L131 Y132F99-P145 HydrophobicContact CD2-CG 3.54Å; F99-P145 HydrophobicContact CE2-CG 3.44Å; F99-P145 VanDerWaalsContact CE2-CG 3.44Å; F99-P145 HydrophobicContact CG-CG 4.18Å; F99-P145 HydrophobicContact CZ-CG 3.95Å; L130-P145 HydrophobicContact CB-CB 3.97Å; L130-P145 HydrophobicContact CD1-CG 4.47Å; L130-P145 HydrophobicContact CD2-CB 4.26Å; L130-P145 HydrophobicContact CD2-CG 4.14Å; L131-P145 CarbonylContact O-C 3.51Å; L131-P145 WeakPolarHBondContact O-CA 3.45Å; L131-P145 WeakPolarHBondContact O-CB 3.36Å; Y132-P145 HydrophobicContact CD1-CB 3.92Å; Y132-P145 HydrophobicContact CD2-CB 4.44Å; Y132-P145 HydrophobicContact CE1-CB 3.64Å; Y132-P145 HydrophobicContact CE1-CG 3.98Å; Y132-P145 HydrophobicContact CE2-CB 4.18Å; Y132-P145 HydrophobicContact CG-CB 4.33Å
146I96.5Very high82.9Confident10 Ų1045.1 Ų45.15%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-93.1133.9164-56.4-52.7000108.9L131 L155 A165 I168 I169L131-I146 HydrophobicContact CB-CB 4.35Å; L131-I146 PolarHBondContact N-O 3.25Å; L131-I146 PolarHBondContact O-N 2.83Å; I146-L155 HydrophobicContact CG2-CD1 3.88Å; I146-A165 HydrophobicContact CD1-CB 3.36Å; I146-A165 HydrophobicContact CG1-CB 3.85Å; I146-I168 HydrophobicContact CB-CG2 4.49Å; I146-I168 HydrophobicContact CG1-CB 4.23Å; I146-I168 HydrophobicContact CG1-CD1 3.99Å; I146-I168 HydrophobicContact CG1-CG2 4.07Å; I146-I169 HydrophobicContact CB-CG2 4.38Å; I146-I169 HydrophobicContact CG2-CG2 3.88Å
147V98.2Very high85Confident0 Ų042.3 Ų42.30%023%0.232CC..EExtended strand (participates in β ladder)trans-86.3127.7177.8176.40000109Y82 F99 I124 L130 V149 I154Y82-V147 HydrophobicContact CD1-CG1 4.41Å; Y82-V147 HydrophobicContact CE1-CB 3.69Å; Y82-V147 HydrophobicContact CE1-CG1 3.85Å; Y82-V147 HydrophobicContact CE1-CG2 3.73Å; Y82-V147 WeakPolarHBondContact OH-CG2 3.44Å; F99-V147 HydrophobicContact CD1-CG2 4.38Å; F99-V147 HydrophobicContact CE1-CG2 3.84Å; I124-V147 HydrophobicContact CB-CG1 4.41Å; I124-V147 HydrophobicContact CD1-CG1 4.26Å; I124-V147 HydrophobicContact CD1-CG2 4.13Å; I124-V147 HydrophobicContact CG2-CG2 3.98Å; L130-V147 HydrophobicContact CD2-CG2 4.08Å; V147-V149 HydrophobicContact CG1-CG2 4.19Å; V147-I154 HydrophobicContact CB-CB 4.44Å; V147-I154 HydrophobicContact CB-CD1 4.48Å; V147-I154 HydrophobicContact CG1-CD1 4Å; V147-I154 PolarHBondContact O-N 3.28Å
148K98.4Very high87.3Confident43 Ų4336.3 Ų36.319%0.18721%0.209CC..EExtended strand (participates in β ladder)trans-119.3135.8173.6168.9177.6165.7-77.20109.7S128 E129 L131 K150 I152 F153S128-K148 WeakPolarHBondContact CA-O 3.38Å; E129-K148 HydrophobicContact CB-CB 4.41Å; E129-K148 PolarHBondContact N-O 2.98Å; E129-K148 PolarHBondContact O-N 3.47Å; E129-K148 IonicContact OE2-NZ 2.87Å; E129-K148 PolarHBondContact OE2-NZ 2.99Å; L131-K148 HydrophobicContact CD1-CB 3.89Å; L131-K148 HydrophobicContact CD1-CD 3.94Å; L131-K148 HydrophobicContact CD2-CD 4.41Å; L131-K148 HydrophobicContact CG-CB 4.07Å; K148-K150 WeakPolarHBondContact CE-O 3.45Å; K148-I152 CarbonylContact C-O 3.57Å; K148-I152 VanDerWaalsContact CA-O 3.3Å; K148-I152 WeakPolarHBondContact CA-O 3.17Å; K148-F153 HydrophobicContact CB-CD1 4.32Å; K148-F153 HydrophobicContact CD-CD1 4.25Å; K148-F153 HydrophobicContact CD-CE1 3.67Å; K148-F153 HydrophobicContact CD-CZ 3.97Å; K148-F153 HydrophobicContact CG-CD1 4.38Å; K148-F153 HydrophobicContact CG-CE1 4.27Å
149V98.1Very high89.6Confident0 Ų032.9 Ų32.90%020%0.196CC..EExtended strand (participates in β ladder)trans-136.1121.2172.7-163.50000108.9L89 P125 S127 S128 V147 N151 I152 I154L89-V149 HydrophobicContact CD1-CB 4.09Å; L89-V149 HydrophobicContact CD1-CG1 3.33Å; P125-V149 HydrophobicContact CB-CG2 4.11Å; P125-V149 HydrophobicContact CG-CG2 4.08Å; S127-V149 WeakPolarHBondContact OG-CG1 3.49Å; S128-V149 WeakPolarHBondContact OG-CG2 3.48Å; V147-V149 HydrophobicContact CG1-CG2 4.19Å; V149-N151 PolarHBondContact O-N 3.42Å; V149-N151 VanDerWaalsContact O-N 3.15Å; V149-I152 PolarHBondContact N-O 3.14Å; V149-I152 WeakPolarHBondContact O-CA 3.2Å; V149-I152 VanDerWaalsContact O-CB 3.31Å; V149-I152 WeakPolarHBondContact O-CB 3.33Å; V149-I152 PolarHBondContact O-N 3.28Å; V149-I154 HydrophobicContact CG2-CD1 4.46Å
150K97.5Very high91.7Very high117 Ų11733.9 Ų33.951%0.50919%0.193SC..THydrogen-bonded Turntrans51.2-118.8-170.9-59.2-179.5-177.5175.20110.9M61 L89 K148M61-K150 HydrophobicContact CE-CD 3.7Å; L89-K150 HydrophobicContact CD2-CD 3.75Å; K148-K150 WeakPolarHBondContact CE-O 3.45Å
151N98.1Very high93.4Very high32 Ų3234.7 Ų34.717%0.17119%0.193CC..THydrogen-bonded Turntrans-97.612.2176.363.5-28.5000114.1M61 Y64 D65 V67 V149M61-N151 PolarHBondContact O-ND2 3.39Å; Y64-N151 PolarHBondContact O-ND2 3.27Å; D65-N151 VanDerWaalsContact O-CB 3.24Å; D65-N151 WeakPolarHBondContact O-CB 3.49Å; D65-N151 PolarHBondContact O-ND2 3.06Å; V67-N151 PolarHBondContact N-O 3.24Å; V149-N151 PolarHBondContact O-N 3.42Å; V149-N151 VanDerWaalsContact O-N 3.15Å
152I98.7Very high95Very high0 Ų031.8 Ų31.80%018%0.179CC..EExtended strand (participates in β ladder)trans-103.1127.7-176.7-52.6154.7000109.4V57 M61 V67 T69 V85 K148 V149 I154V57-I152 HydrophobicContact CG1-CD1 3.54Å; V57-I152 HydrophobicContact CG1-CG1 4.44Å; M61-I152 HydrophobicContact CB-CD1 4.16Å; M61-I152 HydrophobicContact CB-CG1 4.24Å; M61-I152 HydrophobicContact SD-CD1 4.44Å; V67-I152 HydrophobicContact CB-CB 4.44Å; V67-I152 HydrophobicContact CB-CG1 4.09Å; V67-I152 HydrophobicContact CB-CG2 4.39Å; V67-I152 HydrophobicContact CG1-CG2 4.36Å; V67-I152 HydrophobicContact CG2-CG1 4.49Å; V67-I152 CarbonylContact O-C 3.01Å; V67-I152 WeakPolarHBondContact O-CA 3.47Å; T69-I152 HydrophobicContact CG2-CG2 4.25Å; V85-I152 HydrophobicContact CG1-CD1 4.35Å; K148-I152 CarbonylContact C-O 3.57Å; K148-I152 VanDerWaalsContact CA-O 3.3Å; K148-I152 WeakPolarHBondContact CA-O 3.17Å; V149-I152 PolarHBondContact N-O 3.14Å; V149-I152 WeakPolarHBondContact O-CA 3.2Å; V149-I152 VanDerWaalsContact O-CB 3.31Å; V149-I152 WeakPolarHBondContact O-CB 3.33Å; V149-I152 PolarHBondContact O-N 3.28Å; I152-I154 HydrophobicContact CG2-CG1 4.19Å
153F98.8Very high96.3Very high2 Ų233 Ų331%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-111.4122.6173.7-60.8-97.9000108.8Y66 V67 I68 T69 L131 K148 L155 I169 H172 I173Y66-F153 AromaticContact CD1-CE2 3.84Å; Y66-F153 HydrophobicContact CD1-CE2 3.84Å; Y66-F153 HydrophobicContact CE1-CE2 4.46Å; V67-F153 PolarHBondContact O-N 2.91Å; I68-F153 WeakPolarHBondContact CA-O 3.46Å; I68-F153 HydrophobicContact CG1-CB 4.21Å; T69-F153 PolarHBondContact N-O 3.49Å; L131-F153 HydrophobicContact CD1-CD1 3.88Å; L131-F153 HydrophobicContact CD1-CE1 3.7Å; K148-F153 HydrophobicContact CB-CD1 4.32Å; K148-F153 HydrophobicContact CD-CD1 4.25Å; K148-F153 HydrophobicContact CD-CE1 3.67Å; K148-F153 HydrophobicContact CD-CZ 3.97Å; K148-F153 HydrophobicContact CG-CD1 4.38Å; K148-F153 HydrophobicContact CG-CE1 4.27Å; F153-L155 HydrophobicContact CB-CD1 3.7Å; F153-I169 HydrophobicContact CB-CD1 4.25Å; F153-I169 HydrophobicContact CB-CG2 4.44Å; F153-I169 HydrophobicContact CD1-CB 3.78Å; F153-I169 HydrophobicContact CD1-CD1 4.34Å; F153-I169 HydrophobicContact CD1-CG2 3.51Å; F153-I169 HydrophobicContact CE1-CB 3.99Å; F153-I169 HydrophobicContact CE1-CG2 4.11Å; F153-I169 HydrophobicContact CG-CD1 4.25Å; F153-I169 HydrophobicContact CG-CG2 4.3Å; F153-H172 HydrophobicContact CE1-CB 3.77Å; F153-H172 HydrophobicContact CZ-CB 3.87Å; F153-I173 HydrophobicContact CD2-CG2 4.15Å; F153-I173 HydrophobicContact CE1-CG2 4.18Å; F153-I173 HydrophobicContact CE2-CG2 3.36Å; F153-I173 HydrophobicContact CZ-CG2 3.37Å
154I98.7Very high96.8Very high1 Ų137.4 Ų37.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-102.5104.8-171.9-49178.9000109T69 I73 T81 Y82 V85 V147 V149 I152T69-I154 WeakPolarHBondContact OG1-CA 3.06Å; T69-I154 VanDerWaalsContact OG1-CG2 3.29Å; T69-I154 WeakPolarHBondContact OG1-CG2 3.37Å; I73-I154 HydrophobicContact CG2-CG2 3.51Å; T81-I154 HydrophobicContact CG2-CG2 3.61Å; Y82-I154 HydrophobicContact CD1-CD1 3.62Å; Y82-I154 HydrophobicContact CD1-CG2 4.16Å; Y82-I154 HydrophobicContact CE1-CB 4.02Å; Y82-I154 HydrophobicContact CE1-CD1 3.7Å; Y82-I154 HydrophobicContact CE1-CG1 4.46Å; Y82-I154 HydrophobicContact CE1-CG2 3.69Å; V85-I154 HydrophobicContact CB-CD1 4.23Å; V85-I154 HydrophobicContact CG1-CD1 4.1Å; V85-I154 HydrophobicContact CG2-CD1 3.98Å; V147-I154 HydrophobicContact CB-CB 4.44Å; V147-I154 HydrophobicContact CB-CD1 4.48Å; V147-I154 HydrophobicContact CG1-CD1 4Å; V147-I154 PolarHBondContact O-N 3.28Å; V149-I154 HydrophobicContact CG2-CD1 4.46Å; I152-I154 HydrophobicContact CG2-CG1 4.19Å
155L98.4Very high97.2Very high0 Ų033.8 Ų33.80%019%0.189CC..EExtended strand (participates in β ladder)trans-107.9152.6-172.6-81.264.2000112.5I68 T69 S70 G71 I146 F153 F162 A165 L166 I169I68-L155 HydrophobicContact CG2-CD1 4.23Å; I68-L155 HydrophobicContact CG2-CD2 4.15Å; T69-L155 VanDerWaalsContact O-CB 3.27Å; T69-L155 WeakPolarHBondContact O-CB 3.25Å; T69-L155 PolarHBondContact O-N 2.86Å; T69-L155 VanDerWaalsContact O-N 3.1Å; S70-L155 WeakPolarHBondContact CA-O 3.31Å; G71-L155 PolarHBondContact N-O 3.18Å; I146-L155 HydrophobicContact CG2-CD1 3.88Å; F153-L155 HydrophobicContact CB-CD1 3.7Å; L155-F162 HydrophobicContact CB-CD2 3.72Å; L155-F162 HydrophobicContact CB-CE2 3.85Å; L155-F162 HydrophobicContact CD2-CD2 3.84Å; L155-F162 HydrophobicContact CD2-CE2 3.68Å; L155-F162 HydrophobicContact CD2-CZ 4.27Å; L155-F162 HydrophobicContact CG-CD2 4.42Å; L155-F162 HydrophobicContact CG-CE2 4.42Å; L155-A165 HydrophobicContact CB-CB 4.37Å; L155-A165 HydrophobicContact CD2-CB 3.65Å; L155-A165 HydrophobicContact CG-CB 3.57Å; L155-L166 HydrophobicContact CD2-CD2 3.87Å; L155-L166 HydrophobicContact CD2-CG 4.24Å; L155-I169 HydrophobicContact CD1-CD1 4.2Å; L155-I169 HydrophobicContact CD1-CG2 4.38Å; L155-I169 HydrophobicContact CD2-CD1 4.26Å
156P97.2Very high97.3Very high16 Ų1633.9 Ų33.910%0.10419%0.189CC..  trans-65.7153.3175.625.4-32.9000112.6S70 I73 L161 F162S70-P156 PolarHBondContact OG-O 2.89Å; I73-P156 HydrophobicContact CD1-CB 3.91Å; I73-P156 HydrophobicContact CG1-CB 4.38Å; P156-L161 HydrophobicContact CB-CB 3.87Å; P156-L161 HydrophobicContact CB-CD1 4.3Å; P156-L161 HydrophobicContact CG-CB 3.42Å; P156-L161 VanDerWaalsContact CG-CB 3.42Å; P156-F162 WeakPolarHBondContact O-CD2 3.44Å
157G96.3Very high97.2Very high29 Ų2938.7 Ų38.730%0.29921%0.212SC..SBendtrans-80.1-23.8175.300000113.8N25 P159N25-G157 PolarHBondContact ND2-O 3.4Å; G157-P159 WeakPolarHBondContact O-CD 3.48Å
158V95.9Very high97Very high78 Ų7839.7 Ų39.747%0.47322%0.217SC..SBendtrans-67.5122.7179.7-178.40000109.8C160 L161 F162V158-C160 PolarHBondContact O-N 2.97Å; V158-L161 HydrophobicContact CB-CB 4.3Å; V158-L161 HydrophobicContact CB-CD1 4.03Å; V158-L161 HydrophobicContact CB-CG 4.01Å; V158-L161 HydrophobicContact CG1-CG 4.18Å; V158-L161 HydrophobicContact CG2-CD1 4.38Å; V158-L161 PolarHBondContact O-N 3.21Å; V158-F162 PolarHBondContact O-N 3.26Å
159P96.8Very high96.9Very high58 Ų5837.6 Ų37.638%0.37721%0.208SC..Hα-helixtrans-58.2-39.5-168.1-29.936.3000115.6S24 N25 G157 L161 F162 N163S24-P159 WeakPolarHBondContact OG-CG 3.31Å; N25-P159 WeakPolarHBondContact OD1-CA 3.48Å; G157-P159 WeakPolarHBondContact O-CD 3.48Å; P159-L161 VanDerWaalsContact C-N 3.33Å; P159-L161 PolarHBondContact O-N 3.31Å; P159-F162 PolarHBondContact O-N 2.62Å; P159-N163 PolarHBondContact O-N 3.22Å; P159-N163 PolarHBondContact O-ND2 3.5Å; P159-N163 PolarHBondContact O-OD1 3.3Å
160C96.6Very high96.7Very high75 Ų7540.5 Ų40.551%0.50722%0.22SC..Hα-helixtrans-65.7-37.9177.462.60000112.1V158 M164V158-C160 PolarHBondContact O-N 2.97Å; C160-M164 WeakPolarHBondContact O-CE 3.38Å; C160-M164 PolarHBondContact O-N 3.45Å
161L96.1Very high96.5Very high77 Ų7740.3 Ų40.340%0.40323%0.225SC..Hα-helixtrans-72.6-38.7177.4-54.8-173.8000111P156 V158 P159 N163 M164 A165P156-L161 HydrophobicContact CB-CB 3.87Å; P156-L161 HydrophobicContact CB-CD1 4.3Å; P156-L161 HydrophobicContact CG-CB 3.42Å; P156-L161 VanDerWaalsContact CG-CB 3.42Å; V158-L161 HydrophobicContact CB-CB 4.3Å; V158-L161 HydrophobicContact CB-CD1 4.03Å; V158-L161 HydrophobicContact CB-CG 4.01Å; V158-L161 HydrophobicContact CG1-CG 4.18Å; V158-L161 HydrophobicContact CG2-CD1 4.38Å; V158-L161 PolarHBondContact O-N 3.21Å; P159-L161 VanDerWaalsContact C-N 3.33Å; P159-L161 PolarHBondContact O-N 3.31Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-N163 PolarHBondContact O-N 3.15Å; L161-M164 HydrophobicContact CD2-CE 3.34Å; L161-M164 HydrophobicContact CG-CE 4.47Å; L161-M164 PolarHBondContact O-N 3.37Å; L161-A165 WeakPolarHBondContact O-CB 3.43Å; L161-A165 PolarHBondContact O-N 3.01Å
162F97.8Very high96.3Very high0 Ų042.5 Ų42.50%023%0.234CC..Hα-helixtrans-58.1-45.7174.9-174.2-98.4000110.7N25 L29 I68 S70 L155 P156 V158 P159 M164 A165 L166N25-F162 HydrophobicContact CB-CD1 3.78Å; N25-F162 HydrophobicContact CB-CD2 4.23Å; N25-F162 HydrophobicContact CB-CE1 3.81Å; N25-F162 HydrophobicContact CB-CE2 4.28Å; N25-F162 HydrophobicContact CB-CG 3.99Å; N25-F162 HydrophobicContact CB-CZ 4.07Å; L29-F162 HydrophobicContact CB-CE1 4.43Å; L29-F162 HydrophobicContact CB-CZ 4.45Å; I68-F162 HydrophobicContact CG2-CE2 4.03Å; I68-F162 HydrophobicContact CG2-CZ 4.26Å; S70-F162 WeakPolarHBondContact OG-CD2 3.48Å; L155-F162 HydrophobicContact CB-CD2 3.72Å; L155-F162 HydrophobicContact CB-CE2 3.85Å; L155-F162 HydrophobicContact CD2-CD2 3.84Å; L155-F162 HydrophobicContact CD2-CE2 3.68Å; L155-F162 HydrophobicContact CD2-CZ 4.27Å; L155-F162 HydrophobicContact CG-CD2 4.42Å; L155-F162 HydrophobicContact CG-CE2 4.42Å; P156-F162 WeakPolarHBondContact O-CD2 3.44Å; V158-F162 PolarHBondContact O-N 3.26Å; P159-F162 PolarHBondContact O-N 2.62Å; F162-M164 PolarHBondContact O-N 3.38Å; F162-A165 WeakPolarHBondContact O-CB 3.47Å; F162-A165 PolarHBondContact O-N 2.85Å; F162-L166 HydrophobicContact CD1-CD1 3.97Å; F162-L166 HydrophobicContact CD1-CG 4.2Å; F162-L166 HydrophobicContact CE1-CD1 3.65Å; F162-L166 HydrophobicContact CE1-CD2 4.18Å; F162-L166 HydrophobicContact CE1-CG 3.97Å; F162-L166 HydrophobicContact CZ-CD1 4.48Å; F162-L166 HydrophobicContact CZ-CD2 4.23Å; F162-L166 HydrophobicContact CZ-CG 4.45Å; F162-L166 WeakPolarHBondContact O-CG 3.32Å; F162-L166 PolarHBondContact O-N 2.8Å
163N96.7Very high96.2Very high62 Ų6242.6 Ų42.633%0.33223%0.234SC..Hα-helixtrans-62.7-43.5177.5-66.8-9.4000112.7Q28 P159 L161 A165 L166 E167Q28-N163 VanDerWaalsContact CG-OD1 3.31Å; Q28-N163 WeakPolarHBondContact CG-OD1 3.41Å; P159-N163 PolarHBondContact O-N 3.22Å; P159-N163 PolarHBondContact O-ND2 3.5Å; P159-N163 PolarHBondContact O-OD1 3.3Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-N163 PolarHBondContact O-N 3.15Å; N163-A165 VanDerWaalsContact C-N 3.28Å; N163-A165 PolarHBondContact O-N 2.85Å; N163-L166 PolarHBondContact O-N 2.93Å; N163-E167 PolarHBondContact O-N 2.82Å
164M94.9Very high96Very high108 Ų10847.6 Ų47.653%0.53225%0.253SS..Hα-helixtrans-62-40.2174.8-73.7-173.9-75.700111.3C160 L161 F162 L166 E167 I168C160-M164 WeakPolarHBondContact O-CE 3.38Å; C160-M164 PolarHBondContact O-N 3.45Å; L161-M164 HydrophobicContact CD2-CE 3.34Å; L161-M164 HydrophobicContact CG-CE 4.47Å; L161-M164 PolarHBondContact O-N 3.37Å; F162-M164 PolarHBondContact O-N 3.38Å; M164-L166 PolarHBondContact O-N 3.11Å; M164-E167 PolarHBondContact O-N 3.46Å; M164-I168 WeakPolarHBondContact O-CG1 3.47Å; M164-I168 PolarHBondContact O-N 3.22Å
165A96.5Very high95.8Very high1 Ų149 Ų491%0.00826%0.261CS..Hα-helixtrans-66.6-35.8177.900000112.8I146 L155 L161 F162 N163 E167 I168 I169I146-A165 HydrophobicContact CD1-CB 3.36Å; I146-A165 HydrophobicContact CG1-CB 3.85Å; L155-A165 HydrophobicContact CB-CB 4.37Å; L155-A165 HydrophobicContact CD2-CB 3.65Å; L155-A165 HydrophobicContact CG-CB 3.57Å; L161-A165 WeakPolarHBondContact O-CB 3.43Å; L161-A165 PolarHBondContact O-N 3.01Å; F162-A165 WeakPolarHBondContact O-CB 3.47Å; F162-A165 PolarHBondContact O-N 2.85Å; N163-A165 VanDerWaalsContact C-N 3.28Å; N163-A165 PolarHBondContact O-N 2.85Å; A165-E167 VanDerWaalsContact C-N 3.29Å; A165-E167 PolarHBondContact O-N 3Å; A165-I168 WeakPolarHBondContact O-CB 3.24Å; A165-I168 PolarHBondContact O-N 2.72Å; A165-I168 VanDerWaalsContact O-N 3.14Å; A165-I169 WeakPolarHBondContact O-CG2 3.21Å; A165-I169 PolarHBondContact O-N 3.15Å
166L97Very high95.6Very high2 Ų253 Ų531%0.0129%0.287CS..Hα-helixtrans-58.7-40.6172.8-71.8179.8000112.1Q28 L29 T32 F36 I68 L155 F162 N163 M164 I168 I169 K170Q28-L166 HydrophobicContact CG-CD1 3.96Å; L29-L166 HydrophobicContact CD1-CD2 3.84Å; T32-L166 HydrophobicContact CG2-CD1 4.31Å; F36-L166 HydrophobicContact CZ-CB 4.49Å; I68-L166 HydrophobicContact CD1-CD2 4.25Å; L155-L166 HydrophobicContact CD2-CD2 3.87Å; L155-L166 HydrophobicContact CD2-CG 4.24Å; F162-L166 HydrophobicContact CD1-CD1 3.97Å; F162-L166 HydrophobicContact CD1-CG 4.2Å; F162-L166 HydrophobicContact CE1-CD1 3.65Å; F162-L166 HydrophobicContact CE1-CD2 4.18Å; F162-L166 HydrophobicContact CE1-CG 3.97Å; F162-L166 HydrophobicContact CZ-CD1 4.48Å; F162-L166 HydrophobicContact CZ-CD2 4.23Å; F162-L166 HydrophobicContact CZ-CG 4.45Å; F162-L166 WeakPolarHBondContact O-CG 3.32Å; F162-L166 PolarHBondContact O-N 2.8Å; N163-L166 PolarHBondContact O-N 2.93Å; M164-L166 PolarHBondContact O-N 3.11Å; L166-I168 VanDerWaalsContact C-N 3.34Å; L166-I169 HydrophobicContact CD2-CD1 4.15Å; L166-I169 PolarHBondContact O-N 2.81Å; L166-K170 WeakPolarHBondContact O-CB 3.35Å; L166-K170 PolarHBondContact O-N 3.47Å
167E94.7Very high95.5Very high111 Ų11158.2 Ų58.252%0.51931%0.314SS..Hα-helixtrans-66.9-34.9175.4-67.2-55.1129.400112.3N163 M164 A165 K170N163-E167 PolarHBondContact O-N 2.82Å; M164-E167 PolarHBondContact O-N 3.46Å; A165-E167 VanDerWaalsContact C-N 3.29Å; A165-E167 PolarHBondContact O-N 3Å; E167-K170 WeakPolarHBondContact O-CB 3.48Å; E167-K170 IonicContact OE2-NZ 3.6Å; E167-K170 PolarHBondContact OE2-NZ 2.86Å
168I94.2Very high95.4Very high21 Ų2157.3 Ų57.311%0.10830%0.302CS..Hα-helixtrans-66-45.1175.9-64.9171.1000111.2L131 A133 I146 M164 A165 L166 K170 H172L131-I168 HydrophobicContact CB-CG2 4.02Å; A133-I168 HydrophobicContact CB-CD1 4.19Å; A133-I168 HydrophobicContact CB-CG1 3.98Å; I146-I168 HydrophobicContact CB-CG2 4.49Å; I146-I168 HydrophobicContact CG1-CB 4.23Å; I146-I168 HydrophobicContact CG1-CD1 3.99Å; I146-I168 HydrophobicContact CG1-CG2 4.07Å; M164-I168 WeakPolarHBondContact O-CG1 3.47Å; M164-I168 PolarHBondContact O-N 3.22Å; A165-I168 WeakPolarHBondContact O-CB 3.24Å; A165-I168 PolarHBondContact O-N 2.72Å; A165-I168 VanDerWaalsContact O-N 3.14Å; L166-I168 VanDerWaalsContact C-N 3.34Å; I168-K170 VanDerWaalsContact C-N 3.32Å; I168-H172 PolarHBondContact O-ND1 3.33Å
169I95.8Very high95.4Very high0 Ų058.3 Ų58.30%030%0.304CS..Hα-helixtrans-81.8-13.5-176.271.4168.4000113I68 L131 I146 F153 L155 A165 L166 D171 H172 I173I68-I169 HydrophobicContact CD1-CD1 3.63Å; I68-I169 HydrophobicContact CG1-CD1 4.06Å; L131-I169 HydrophobicContact CD1-CG2 4.23Å; I146-I169 HydrophobicContact CB-CG2 4.38Å; I146-I169 HydrophobicContact CG2-CG2 3.88Å; F153-I169 HydrophobicContact CB-CD1 4.25Å; F153-I169 HydrophobicContact CB-CG2 4.44Å; F153-I169 HydrophobicContact CD1-CB 3.78Å; F153-I169 HydrophobicContact CD1-CD1 4.34Å; F153-I169 HydrophobicContact CD1-CG2 3.51Å; F153-I169 HydrophobicContact CE1-CB 3.99Å; F153-I169 HydrophobicContact CE1-CG2 4.11Å; F153-I169 HydrophobicContact CG-CD1 4.25Å; F153-I169 HydrophobicContact CG-CG2 4.3Å; L155-I169 HydrophobicContact CD1-CD1 4.2Å; L155-I169 HydrophobicContact CD1-CG2 4.38Å; L155-I169 HydrophobicContact CD2-CD1 4.26Å; A165-I169 WeakPolarHBondContact O-CG2 3.21Å; A165-I169 PolarHBondContact O-N 3.15Å; L166-I169 HydrophobicContact CD2-CD1 4.15Å; L166-I169 PolarHBondContact O-N 2.81Å; I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 PolarHBondContact O-N 2.89Å; I169-H172 WeakPolarHBondContact O-CA 3.03Å; I169-H172 VanDerWaalsContact O-CB 3.31Å; I169-H172 WeakPolarHBondContact O-CB 3.4Å; I169-H172 PolarHBondContact O-N 3.04Å; I169-I173 HydrophobicContact CD1-CD1 3.81Å; I169-I173 HydrophobicContact CG1-CD1 4.05Å; I169-I173 PolarHBondContact O-N 3.16Å
170K95Very high95.4Very high60 Ų6058.1 Ų58.126%0.26130%0.297SS..Hα-helixtrans-44.8-53.4-176.5175.7176.8-179.2-179.30112.3F36 L166 E167 I168 H172 I173 R174F36-K170 HydrophobicContact CD1-CD 4.41Å; F36-K170 HydrophobicContact CD1-CG 3.9Å; F36-K170 HydrophobicContact CE1-CB 3.95Å; F36-K170 HydrophobicContact CE1-CD 3.7Å; F36-K170 HydrophobicContact CE1-CG 3.49Å; F36-K170 VanDerWaalsContact CE1-CG 3.49Å; F36-K170 HydrophobicContact CE2-CB 4.27Å; F36-K170 HydrophobicContact CZ-CB 3.73Å; F36-K170 HydrophobicContact CZ-CD 4.2Å; F36-K170 HydrophobicContact CZ-CG 3.83Å; L166-K170 WeakPolarHBondContact O-CB 3.35Å; L166-K170 PolarHBondContact O-N 3.47Å; E167-K170 WeakPolarHBondContact O-CB 3.48Å; E167-K170 IonicContact OE2-NZ 3.6Å; E167-K170 PolarHBondContact OE2-NZ 2.86Å; I168-K170 VanDerWaalsContact C-N 3.32Å; K170-H172 PolarHBondContact O-N 3.31Å; K170-H172 VanDerWaalsContact O-N 3.15Å; K170-I173 PolarHBondContact O-N 2.94Å; K170-R174 WeakPolarHBondContact O-CA 3.29Å; K170-R174 WeakPolarHBondContact O-CB 3.23Å; K170-R174 PolarHBondContact O-N 3.1Å
171D91.6Very high95.4Very high113 Ų11356.7 Ų56.760%0.60428%0.283SS*.Hα-helixtrans-69.5-13.6-176.2-64.8-23.4000113.6I169I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 PolarHBondContact O-N 2.89Å
172H94.6Very high95.3Very high79 Ų7956.8 Ų56.837%0.36628%0.281SS..Hα-helixtrans-90.7-22.1178.6-58.377.4000112.9F153 I168 I169 K170F153-H172 HydrophobicContact CE1-CB 3.77Å; F153-H172 HydrophobicContact CZ-CB 3.87Å; I168-H172 PolarHBondContact O-ND1 3.33Å; I169-H172 WeakPolarHBondContact O-CA 3.03Å; I169-H172 VanDerWaalsContact O-CB 3.31Å; I169-H172 WeakPolarHBondContact O-CB 3.4Å; I169-H172 PolarHBondContact O-N 3.04Å; K170-H172 PolarHBondContact O-N 3.31Å; K170-H172 VanDerWaalsContact O-N 3.15Å
173I96Very high95.3Very high1 Ų161.9 Ų61.91%0.00530%0.3CS..Hα-helixtrans-116.4-17.4-177.664.7178.3000113.4F36 V38 Y66 I68 F153 I169 K170 D175F36-I173 HydrophobicContact CD2-CD1 3.48Å; F36-I173 VanDerWaalsContact CD2-CD1 3.48Å; F36-I173 HydrophobicContact CD2-CG1 3.84Å; F36-I173 HydrophobicContact CE2-CD1 3.87Å; F36-I173 HydrophobicContact CE2-CG1 4.39Å; V38-I173 VanDerWaalsContact CG1-O 3.24Å; V38-I173 WeakPolarHBondContact CG1-O 3.46Å; Y66-I173 HydrophobicContact CD1-CG2 3.82Å; Y66-I173 HydrophobicContact CD2-CB 4.11Å; Y66-I173 HydrophobicContact CD2-CG2 4.17Å; Y66-I173 HydrophobicContact CE1-CB 4.47Å; Y66-I173 HydrophobicContact CE1-CG2 3.95Å; Y66-I173 HydrophobicContact CE2-CB 4.03Å; Y66-I173 HydrophobicContact CE2-CG2 4.31Å; Y66-I173 HydrophobicContact CG-CB 4.37Å; Y66-I173 HydrophobicContact CG-CG2 3.92Å; I68-I173 HydrophobicContact CD1-CD1 4.42Å; F153-I173 HydrophobicContact CD2-CG2 4.15Å; F153-I173 HydrophobicContact CE1-CG2 4.18Å; F153-I173 HydrophobicContact CE2-CG2 3.36Å; F153-I173 HydrophobicContact CZ-CG2 3.37Å; I169-I173 HydrophobicContact CD1-CD1 3.81Å; I169-I173 HydrophobicContact CG1-CD1 4.05Å; I169-I173 PolarHBondContact O-N 3.16Å; K170-I173 PolarHBondContact O-N 2.94Å; I173-D175 PolarHBondContact O-N 3.29Å
174R95Very high95.3Very high107 Ų10760 Ų6040%0.40429%0.292SS..  trans-65.6130.8-174.9179.4-179.5-173.8816.8111.5L35 F36 K170L35-R174 PolarHBondContact O-NH1 3.22Å; F36-R174 CarbonylContact O-C 3.57Å; F36-R174 WeakPolarHBondContact O-CA 3.12Å; K170-R174 WeakPolarHBondContact O-CA 3.29Å; K170-R174 WeakPolarHBondContact O-CB 3.23Å; K170-R174 PolarHBondContact O-N 3.1Å
175D95.7Very high95.3Very high32 Ų3255 Ų5517%0.17127%0.267CS..  trans-110.5102.8164.7-168.3-19.9000109.6F36 I173 N177 V178F36-D175 PolarHBondContact O-N 2.84Å; I173-D175 PolarHBondContact O-N 3.29Å; D175-N177 PolarHBondContact O-N 2.85Å; D175-N177 WeakPolarHBondContact OD1-CB 3.48Å; D175-N177 PolarHBondContact OD1-N 3.24Å; D175-N177 PolarHBondContact OD1-ND2 2.58Å; D175-V178 HydrophobicContact CB-CB 4.38Å; D175-V178 HydrophobicContact CB-CG2 4.08Å; D175-V178 PolarHBondContact O-N 3.17Å
176P92.9Very high95.4Very high84 Ų8456 Ų5655%0.54527%0.271SS..THydrogen-bonded Turntrans-69.7-13.6-178.730.1-35.3000113.5V178P176-V178 VanDerWaalsContact C-N 3.31Å
177N94.6Very high95.4Very high125 Ų12555.9 Ų55.967%0.66827%0.27SS*.THydrogen-bonded Turntrans-85.3-8179-53.2-66.3000112.5D175D175-N177 PolarHBondContact O-N 2.85Å; D175-N177 WeakPolarHBondContact OD1-CB 3.48Å; D175-N177 PolarHBondContact OD1-N 3.24Å; D175-N177 PolarHBondContact OD1-ND2 2.58Å
178V96Very high95.4Very high9 Ų954 Ų546%0.05527%0.266CS..  trans-104.9114.9177.3178.10000108.9V2 P4 G37 D175 P176 F180 L231V2-V178 HydrophobicContact CB-CG2 4.43Å; V2-V178 HydrophobicContact CG1-CG2 3.5Å; V2-V178 VanDerWaalsContact CG1-CG2 3.5Å; P4-V178 HydrophobicContact CB-CG1 3.83Å; P4-V178 HydrophobicContact CB-CG2 4.49Å; G37-V178 WeakPolarHBondContact CA-O 3.28Å; G37-V178 WeakPolarHBondContact O-CB 3.49Å; G37-V178 WeakPolarHBondContact O-CG1 3.18Å; D175-V178 HydrophobicContact CB-CB 4.38Å; D175-V178 HydrophobicContact CB-CG2 4.08Å; D175-V178 PolarHBondContact O-N 3.17Å; P176-V178 VanDerWaalsContact C-N 3.31Å; V178-F180 HydrophobicContact CG1-CD2 4.04Å; V178-F180 HydrophobicContact CG1-CE2 3.55Å; V178-F180 HydrophobicContact CG1-CZ 4.13Å; V178-L231 HydrophobicContact CG1-CD2 3.86Å
179I95.7Very high95.4Very high99 Ų9953.3 Ų53.351%0.50826%0.263SS..  trans-116.7125.4174.5-58.2174.9000108.2F181 L231I179-F181 HydrophobicContact CB-CE2 3.98Å; I179-F181 HydrophobicContact CB-CZ 3.92Å; I179-F181 HydrophobicContact CG2-CD1 4.2Å; I179-F181 HydrophobicContact CG2-CD2 4.36Å; I179-F181 HydrophobicContact CG2-CE1 3.74Å; I179-F181 HydrophobicContact CG2-CE2 3.91Å; I179-F181 HydrophobicContact CG2-CG 4.5Å; I179-F181 HydrophobicContact CG2-CZ 3.58Å; I179-L231 WeakPolarHBondContact O-CD2 3.48Å
180F95.6Very high95.3Very high55 Ų5558.4 Ų58.424%0.24129%0.288CS..  trans-90.6114172-69.8-96.1000109.2P4 P34 R39 V178 L231P4-F180 HydrophobicContact CB-CE2 4.35Å; P4-F180 HydrophobicContact CB-CZ 3.78Å; P4-F180 HydrophobicContact CG-CZ 4.05Å; P34-F180 HydrophobicContact CB-CB 4Å; P34-F180 HydrophobicContact CB-CD2 3.86Å; P34-F180 HydrophobicContact CB-CE2 4.47Å; P34-F180 HydrophobicContact CB-CG 3.89Å; P34-F180 WeakPolarHBondContact O-CD2 3.43Å; R39-F180 HydrophobicContact CB-CZ 4.12Å; V178-F180 HydrophobicContact CG1-CD2 4.04Å; V178-F180 HydrophobicContact CG1-CE2 3.55Å; V178-F180 HydrophobicContact CG1-CZ 4.13Å; F180-L231 HydrophobicContact CD1-CD2 3.87Å; F180-L231 HydrophobicContact CD2-CD2 4.42Å; F180-L231 HydrophobicContact CE1-CD2 3.9Å; F180-L231 HydrophobicContact CE2-CD2 4.44Å; F180-L231 HydrophobicContact CG-CD2 4.15Å; F180-L231 HydrophobicContact CZ-CD2 4.2Å
181F96.3Very high95.2Very high44 Ų4459.3 Ų59.319%0.19329%0.293CS..EExtended strand (participates in β ladder)trans-91.2136.1175.8-60.6-81.3000109.9I179 D229 S230 E233 L236I179-F181 HydrophobicContact CB-CE2 3.98Å; I179-F181 HydrophobicContact CB-CZ 3.92Å; I179-F181 HydrophobicContact CG2-CD1 4.2Å; I179-F181 HydrophobicContact CG2-CD2 4.36Å; I179-F181 HydrophobicContact CG2-CE1 3.74Å; I179-F181 HydrophobicContact CG2-CE2 3.91Å; I179-F181 HydrophobicContact CG2-CG 4.5Å; I179-F181 HydrophobicContact CG2-CZ 3.58Å; F181-D229 WeakPolarHBondContact O-CA 3.47Å; F181-S230 PolarHBondContact N-O 3.25Å; F181-S230 PolarHBondContact O-N 3Å; F181-E233 HydrophobicContact CD1-CB 3.9Å; F181-E233 HydrophobicContact CD1-CG 3.63Å; F181-E233 HydrophobicContact CD2-CB 4Å; F181-E233 HydrophobicContact CE1-CB 3.75Å; F181-E233 HydrophobicContact CE1-CG 3.69Å; F181-E233 HydrophobicContact CE2-CB 3.87Å; F181-E233 HydrophobicContact CG-CB 4.02Å; F181-E233 HydrophobicContact CG-CG 4.09Å; F181-E233 HydrophobicContact CZ-CB 3.74Å; F181-E233 HydrophobicContact CZ-CG 4.21Å; F181-L236 HydrophobicContact CB-CD1 3.89Å; F181-L236 VanDerWaalsContact O-CD1 3.31Å; F181-L236 WeakPolarHBondContact O-CD1 3.37Å
182H95.8Very high95.4Very high80 Ų8059.3 Ų59.337%0.3730%0.298SS..EExtended strand (participates in β ladder)trans-130139.4178.7-178.777.2000111.2S184 F228 D229H182-S184 PolarHBondContact NE2-OG 3.45Å; H182-F228 CarbonylContact C-O 3.41Å; H182-F228 VanDerWaalsContact CA-O 3.31Å; H182-F228 WeakPolarHBondContact CA-O 3.47Å; H182-D229 IonicContact CE1-OD1 2.65Å; H182-D229 IonicContact CG-OD1 3.81Å; H182-D229 IonicContact ND1-OD1 2.7Å; H182-D229 PolarHBondContact ND1-OD1 2.87Å; H182-D229 IonicContact ND1-OD2 3.51Å
183R96.2Very high95.4Very high106 Ų10660.8 Ų60.840%0.431%0.305SS..EExtended strand (participates in β ladder)trans-138.6156.8165-68.9-69.1-177.3-90.4-0.1109.9F228 L236 Y240R183-F228 HydrophobicContact CB-CB 4.43Å; R183-F228 PolarHBondContact N-O 3.33Å; R183-F228 PolarHBondContact O-N 3Å; R183-L236 HydrophobicContact CB-CD2 3.95Å; R183-L236 HydrophobicContact CG-CD2 3.37Å; R183-Y240 HydrophobicContact CB-CD2 3.57Å; R183-Y240 HydrophobicContact CB-CE2 3.9Å; R183-Y240 HydrophobicContact CB-CG 4.35Å; R183-Y240 HydrophobicContact CG-CD2 4.23Å
184S96.9Very high95.3Very high22 Ų2260.8 Ų60.815%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-136.5140.5175.4-75.80000111.1H182 R225 I226H182-S184 PolarHBondContact NE2-OG 3.45Å; S184-R225 PolarHBondContact OG-NH1 2.82Å; S184-I226 CarbonylContact C-O 3.56Å; S184-I226 WeakPolarHBondContact CA-O 3.41Å
185L96.2Very high95.4Very high4 Ų457.6 Ų57.62%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-109.3147.1166.1-75.1173.4000109.7R225 I226 F228 Y240 A243 E244 I251L185-R225 CarbonylContact O-C 3.52Å; L185-R225 VanDerWaalsContact O-CA 3.3Å; L185-R225 WeakPolarHBondContact O-CA 3.48Å; L185-I226 HydrophobicContact CB-CB 4.39Å; L185-I226 PolarHBondContact N-O 3.34Å; L185-I226 PolarHBondContact O-N 2.93Å; L185-F228 HydrophobicContact CB-CE2 4.38Å; L185-F228 HydrophobicContact CD1-CE2 4Å; L185-F228 HydrophobicContact CD1-CZ 4.16Å; L185-F228 HydrophobicContact CG-CE2 4.11Å; L185-Y240 HydrophobicContact CD1-CD2 4.47Å; L185-Y240 HydrophobicContact CD1-CE2 4.32Å; L185-Y240 HydrophobicContact CD2-CD2 4.47Å; L185-Y240 HydrophobicContact CD2-CE1 4.32Å; L185-Y240 HydrophobicContact CD2-CE2 3.58Å; L185-Y240 VanDerWaalsContact CD2-CZ 3.46Å; L185-Y240 VanDerWaalsContact CD2-OH 3.22Å; L185-Y240 WeakPolarHBondContact CD2-OH 3.36Å; L185-Y240 HydrophobicContact CG-CD2 4.07Å; L185-Y240 HydrophobicContact CG-CE2 3.51Å; L185-A243 HydrophobicContact CD1-CB 3.47Å; L185-A243 VanDerWaalsContact CD1-CB 3.47Å; L185-E244 HydrophobicContact CD1-CG 4.26Å; L185-E244 HydrophobicContact CD2-CG 3.89Å; L185-I251 HydrophobicContact CD2-CD1 4.36Å
186Y97.2Very high95.4Very high22 Ų2263.7 Ų63.79%0.08633%0.326CS..EExtended strand (participates in β ladder)trans-120.5126.8178.7-60.9-88.6000109Y222 R225 I251 I252 Y254 P256Y186-Y222 AromaticContact CD1-CD1 3.6Å; Y186-Y222 HydrophobicContact CD1-CD1 3.6Å; Y186-Y222 AromaticContact CD1-CD2 3.84Å; Y186-Y222 HydrophobicContact CD1-CD2 3.84Å; Y186-Y222 AromaticContact CD1-CE1 3.58Å; Y186-Y222 HydrophobicContact CD1-CE1 3.58Å; Y186-Y222 AromaticContact CD1-CE2 3.83Å; Y186-Y222 HydrophobicContact CD1-CE2 3.83Å; Y186-Y222 AromaticContact CD1-CG 3.73Å; Y186-Y222 HydrophobicContact CD1-CG 3.73Å; Y186-Y222 AromaticContact CD1-CZ 3.7Å; Y186-Y222 HydrophobicContact CE1-CD1 4.3Å; Y186-Y222 AromaticContact CE1-CE1 3.82Å; Y186-Y222 HydrophobicContact CE1-CE1 3.82Å; Y186-Y222 HydrophobicContact CE1-CE2 4.27Å; Y186-Y222 AromaticContact CE1-CZ 3.82Å; Y186-Y222 HydrophobicContact CG-CD1 4.37Å; Y186-Y222 HydrophobicContact CG-CG 4.39Å; Y186-R225 HydrophobicContact CD1-CB 4Å; Y186-R225 HydrophobicContact CD1-CG 3.95Å; Y186-R225 HydrophobicContact CE1-CB 3.99Å; Y186-R225 HydrophobicContact CE1-CG 3.59Å; Y186-I251 WeakPolarHBondContact O-CA 3.36Å; Y186-I252 PolarHBondContact O-N 3.42Å; Y186-Y254 AromaticContact CD1-CD1 3.69Å; Y186-Y254 HydrophobicContact CD1-CD1 3.69Å; Y186-Y254 HydrophobicContact CD1-CE1 4.41Å; Y186-Y254 HydrophobicContact CD1-CG 4.3Å; Y186-Y254 HydrophobicContact CD2-CD1 4.11Å; Y186-Y254 HydrophobicContact CD2-CG 4.47Å; Y186-Y254 AromaticContact CE1-CD1 3.52Å; Y186-Y254 HydrophobicContact CE1-CD1 3.52Å; Y186-Y254 AromaticContact CE1-CE1 3.99Å; Y186-Y254 HydrophobicContact CE1-CE1 3.99Å; Y186-Y254 AromaticContact CE2-CD1 3.98Å; Y186-Y254 HydrophobicContact CE2-CD1 3.98Å; Y186-Y254 AromaticContact CG-CD1 3.97Å; Y186-Y254 HydrophobicContact CG-CD1 3.97Å; Y186-Y254 HydrophobicContact CG-CG 4.26Å; Y186-Y254 AromaticContact CZ-CD1 3.69Å; Y186-P256 VanDerWaalsContact OH-CG 3.32Å; Y186-P256 WeakPolarHBondContact OH-CG 3.48Å
187L96.7Very high95.6Very high0 Ų061.9 Ų61.90%031%0.312CS..EExtended strand (participates in β ladder)trans-122.9144.9-171.2-52.7178.7000111.2T189 I194 R223 V224 I226 F247 Y250 I251L187-T189 HydrophobicContact CB-CG2 4.16Å; L187-I194 HydrophobicContact CD1-CD1 3.5Å; L187-R223 PolarHBondContact O-N 2.78Å; L187-V224 PolarHBondContact N-O 2.96Å; L187-V224 PolarHBondContact O-N 3.21Å; L187-V224 VanDerWaalsContact O-N 3.12Å; L187-I226 HydrophobicContact CD1-CG1 3.81Å; L187-I226 HydrophobicContact CG-CG1 4.49Å; L187-F247 HydrophobicContact CD1-CB 4.12Å; L187-F247 HydrophobicContact CD1-CD2 4.15Å; L187-F247 HydrophobicContact CD1-CG 4.01Å; L187-F247 HydrophobicContact CD2-CB 3.78Å; L187-Y250 CarbonylContact C-O 3.52Å; L187-Y250 VanDerWaalsContact CA-O 3.26Å; L187-Y250 WeakPolarHBondContact CA-O 3.39Å; L187-I251 HydrophobicContact CD2-CB 4.34Å; L187-I251 HydrophobicContact CD2-CG1 3.49Å; L187-I251 VanDerWaalsContact CD2-CG1 3.49Å
188T95.6Very high95.6Very high71 Ų7156.8 Ų56.844%0.43629%0.285SS..SBendtrans-86.6-9.2179.2560000114.1R223 Y250 I252T188-R223 WeakPolarHBondContact O-CG 3.42Å; T188-Y250 PolarHBondContact N-O 2.79Å; T188-Y250 PolarHBondContact OG1-O 2.91Å; T188-I252 HydrophobicContact CG2-CB 4.14Å; T188-I252 HydrophobicContact CG2-CG2 4.41Å
189T94.4Very high95.7Very high6 Ų660 Ų604%0.03731%0.308CS..SBendtrans-92161.8-178.6-176.60000112.6L187 E193 I194 R223 V224 Y250L187-T189 HydrophobicContact CB-CG2 4.16Å; T189-E193 VanDerWaalsContact OG1-CB 3.27Å; T189-E193 WeakPolarHBondContact OG1-CB 3.17Å; T189-E193 PolarHBondContact OG1-OE1 3.46Å; T189-E193 PolarHBondContact OG1-OE2 2.93Å; T189-I194 HydrophobicContact CG2-CG2 3.5Å; T189-I194 VanDerWaalsContact CG2-CG2 3.5Å; T189-R223 VanDerWaalsContact O-CB 3.24Å; T189-R223 WeakPolarHBondContact O-CB 3.32Å; T189-V224 WeakPolarHBondContact O-CG2 3.4Å; T189-Y250 HydrophobicContact CG2-CD1 3.88Å; T189-Y250 HydrophobicContact CG2-CD2 3.95Å; T189-Y250 HydrophobicContact CG2-CE1 4.42Å; T189-Y250 HydrophobicContact CG2-CE2 4.5Å; T189-Y250 HydrophobicContact CG2-CG 3.6Å
190M93.3Very high95.7Very high108 Ų10862.6 Ų62.653%0.53231%0.311SS..  trans-75.1152.8175.1-57.6-161.976.600111.8T192 E193M190-T192 PolarHBondContact O-N 2.78Å; M190-E193 HydrophobicContact CB-CG 4.37Å; M190-E193 WeakPolarHBondContact CB-OE1 3.44Å; M190-E193 PolarHBondContact N-OE1 3.47Å; M190-E193 WeakPolarHBondContact O-CB 3.43Å; M190-E193 PolarHBondContact O-N 3.33Å; M190-E193 VanDerWaalsContact O-N 3.1Å
191E93.4Very high95.8Very high78 Ų7860.4 Ų60.436%0.36430%0.302SS..Hα-helixtrans-57.4-37.3179.1176.7173.7-130.300112.4E193 I194 A195 S213 P215 V224E191-E193 PolarHBondContact O-N 3.3Å; E191-I194 WeakPolarHBondContact O-CG1 3.24Å; E191-I194 PolarHBondContact O-N 3.37Å; E191-A195 WeakPolarHBondContact O-CB 3.47Å; E191-A195 PolarHBondContact O-N 3.24Å; E191-S213 WeakPolarHBondContact OE1-CB 3.31Å; E191-S213 PolarHBondContact OE1-OG 2.82Å; E191-P215 HydrophobicContact CB-CG 4.1Å; E191-P215 WeakPolarHBondContact OE2-CG 3.31Å; E191-V224 HydrophobicContact CB-CG2 3.94Å
192T94.6Very high95.8Very high114 Ų11460 Ų6070%0.69931%0.307SS*.Hα-helixtrans-63.1-28.7179.846.70000113.5M190M190-T192 PolarHBondContact O-N 2.78Å
193E94.4Very high95.9Very high109 Ų10962.9 Ų62.951%0.50932%0.32SS..Hα-helixtrans-73.8-34.2179.5-64.8175-111.200111.4T189 M190 E191T189-E193 VanDerWaalsContact OG1-CB 3.27Å; T189-E193 WeakPolarHBondContact OG1-CB 3.17Å; T189-E193 PolarHBondContact OG1-OE1 3.46Å; T189-E193 PolarHBondContact OG1-OE2 2.93Å; M190-E193 HydrophobicContact CB-CG 4.37Å; M190-E193 WeakPolarHBondContact CB-OE1 3.44Å; M190-E193 PolarHBondContact N-OE1 3.47Å; M190-E193 WeakPolarHBondContact O-CB 3.43Å; M190-E193 PolarHBondContact O-N 3.33Å; M190-E193 VanDerWaalsContact O-N 3.1Å; E191-E193 PolarHBondContact O-N 3.3Å
194I94.8Very high96Very high2 Ų264.2 Ų64.21%0.0133%0.329CS..Hα-helixtrans-101.5-7.2-176.860.1168.8000114L187 T189 E191 K196 D197 L198 V224 I226 F247 Y250L187-I194 HydrophobicContact CD1-CD1 3.5Å; T189-I194 HydrophobicContact CG2-CG2 3.5Å; T189-I194 VanDerWaalsContact CG2-CG2 3.5Å; E191-I194 WeakPolarHBondContact O-CG1 3.24Å; E191-I194 PolarHBondContact O-N 3.37Å; I194-K196 VanDerWaalsContact C-N 3.29Å; I194-K196 PolarHBondContact O-N 3.24Å; I194-K196 VanDerWaalsContact O-N 3.16Å; I194-D197 PolarHBondContact O-N 2.97Å; I194-D197 VanDerWaalsContact O-N 3.1Å; I194-L198 WeakPolarHBondContact O-CB 3.48Å; I194-L198 PolarHBondContact O-N 3.41Å; I194-V224 HydrophobicContact CD1-CG1 4.27Å; I194-I226 HydrophobicContact CD1-CD1 3.95Å; I194-I226 HydrophobicContact CD1-CG1 4.49Å; I194-F247 HydrophobicContact CB-CD1 4.17Å; I194-F247 HydrophobicContact CB-CE1 3.65Å; I194-F247 HydrophobicContact CB-CZ 4.31Å; I194-F247 HydrophobicContact CG2-CD1 3.74Å; I194-F247 HydrophobicContact CG2-CE1 3.74Å; I194-Y250 HydrophobicContact CG2-CD2 4.43Å
195A96Very high96Very high39 Ų3964.3 Ų64.332%0.32233%0.326SS..Hα-helixtrans-54.8-40-170.500000113.8E191 S199E191-A195 WeakPolarHBondContact O-CB 3.47Å; E191-A195 PolarHBondContact O-N 3.24Å; A195-S199 WeakPolarHBondContact O-CB 3.41Å; A195-S199 PolarHBondContact O-N 3.03Å; A195-S199 PolarHBondContact O-OG 3.29Å
196K96.4Very high96Very high160 Ų16071.4 Ų71.470%0.69636%0.359SS*.Hα-helixtrans-65.9-46.5178.8-70.7-179.1-179.21750111.7I194 S199 R200I194-K196 VanDerWaalsContact C-N 3.29Å; I194-K196 PolarHBondContact O-N 3.24Å; I194-K196 VanDerWaalsContact O-N 3.16Å; K196-S199 PolarHBondContact O-N 3.42Å; K196-R200 WeakPolarHBondContact O-CG 3.49Å; K196-R200 PolarHBondContact O-N 3.22Å; K196-R200 VanDerWaalsContact O-N 3.12Å
197D96.6Very high95.8Very high46 Ų4674.1 Ų74.125%0.24639%0.394CS..Hα-helixtrans-69.1-39.3-178.8-70.2-30.5000110.9I194 S199 R200 L201 L246 F247I194-D197 PolarHBondContact O-N 2.97Å; I194-D197 VanDerWaalsContact O-N 3.1Å; D197-S199 PolarHBondContact O-N 2.65Å; D197-R200 PolarHBondContact O-N 2.98Å; D197-R200 IonicContact OD1-CZ 3.96Å; D197-R200 IonicContact OD1-NH1 3.45Å; D197-R200 PolarHBondContact OD1-NH1 3.38Å; D197-R200 IonicContact OD1-NH2 2.66Å; D197-L201 WeakPolarHBondContact O-CB 3.33Å; D197-L201 PolarHBondContact O-N 3.14Å; D197-L246 HydrophobicContact CB-CD1 4.21Å; D197-L246 HydrophobicContact CB-CD2 3.81Å; D197-L246 HydrophobicContact CB-CG 4.07Å; D197-F247 HydrophobicContact CB-CE1 3.86Å; D197-F247 HydrophobicContact CB-CZ 4.23Å
198L95.9Very high95.7Very high19 Ų1976.3 Ų76.310%0.09941%0.407CS..Hα-helixtrans-62.1-41.3172.4-169.268.1000112.1I194 L201 A202 I211 I226 F247I194-L198 WeakPolarHBondContact O-CB 3.48Å; I194-L198 PolarHBondContact O-N 3.41Å; L198-L201 PolarHBondContact O-N 3.12Å; L198-A202 WeakPolarHBondContact O-CB 3.44Å; L198-A202 PolarHBondContact O-N 3.49Å; L198-I211 HydrophobicContact CD1-CG2 3.66Å; L198-I211 HydrophobicContact CG-CG2 4.49Å; L198-I226 HydrophobicContact CD1-CD1 4.06Å; L198-I226 HydrophobicContact CD1-CG1 4.48Å; L198-I226 HydrophobicContact CD1-CG2 3.88Å; L198-I226 HydrophobicContact CD2-CD1 3.94Å; L198-F247 HydrophobicContact CB-CZ 4.35Å; L198-F247 HydrophobicContact CD1-CE2 4.33Å; L198-F247 HydrophobicContact CD1-CZ 4.35Å
199S97Very high95.8Very high77 Ų7773.2 Ų73.254%0.53839%0.388SS..Hα-helixtrans-63-44177.9-59.90000111.6A195 K196 D197 L201 A202 E203A195-S199 WeakPolarHBondContact O-CB 3.41Å; A195-S199 PolarHBondContact O-N 3.03Å; A195-S199 PolarHBondContact O-OG 3.29Å; K196-S199 PolarHBondContact O-N 3.42Å; D197-S199 PolarHBondContact O-N 2.65Å; S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 2.99Å; S199-A202 PolarHBondContact O-N 3.1Å; S199-E203 WeakPolarHBondContact O-CB 3.4Å; S199-E203 PolarHBondContact O-N 3.31Å
200R97.1Very high95.9Very high152 Ų15276.7 Ų76.757%0.57441%0.413SS*.Hα-helixtrans-62.9-39.7174.8-66.4-174.7-150.61277.9111.9K196 D197 E203 K204K196-R200 WeakPolarHBondContact O-CG 3.49Å; K196-R200 PolarHBondContact O-N 3.22Å; K196-R200 VanDerWaalsContact O-N 3.12Å; D197-R200 PolarHBondContact O-N 2.98Å; D197-R200 IonicContact OD1-CZ 3.96Å; D197-R200 IonicContact OD1-NH1 3.45Å; D197-R200 PolarHBondContact OD1-NH1 3.38Å; D197-R200 IonicContact OD1-NH2 2.66Å; R200-E203 PolarHBondContact O-N 2.86Å; R200-K204 WeakPolarHBondContact O-CB 3.39Å; R200-K204 PolarHBondContact O-N 3.26Å
201L97Very high96.1Very high9 Ų972.8 Ų72.85%0.04739%0.394CS..Hα-helixtrans-64.9-43.4176.6-172.371.8000111.3D197 L198 S199 K204 Y205 I211 F228 D242 A243D197-L201 WeakPolarHBondContact O-CB 3.33Å; D197-L201 PolarHBondContact O-N 3.14Å; L198-L201 PolarHBondContact O-N 3.12Å; S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 2.99Å; L201-K204 PolarHBondContact O-N 2.84Å; L201-Y205 HydrophobicContact CD1-CD2 4.01Å; L201-Y205 HydrophobicContact CD1-CE2 3.76Å; L201-Y205 HydrophobicContact CG-CD2 4.36Å; L201-Y205 WeakPolarHBondContact O-CD2 3.48Å; L201-Y205 PolarHBondContact O-N 3.05Å; L201-I211 HydrophobicContact CB-CD1 4.44Å; L201-I211 HydrophobicContact CD2-CD1 3.87Å; L201-I211 HydrophobicContact CG-CD1 3.73Å; L201-F228 HydrophobicContact CD2-CE1 4.06Å; L201-F228 HydrophobicContact CD2-CZ 4.49Å; L201-D242 HydrophobicContact CD1-CB 3.81Å; L201-A243 HydrophobicContact CD2-CB 3.7Å
202A97.2Very high96.2Very high36 Ų3669.9 Ų69.930%0.29839%0.385SS..Hα-helixtrans-64-39.8176.900000112.3L198 S199 Y205 Q206 I211L198-A202 WeakPolarHBondContact O-CB 3.44Å; L198-A202 PolarHBondContact O-N 3.49Å; S199-A202 PolarHBondContact O-N 3.1Å; A202-Y205 CarbonylContact O-C 3.58Å; A202-Y205 PolarHBondContact O-N 3.33Å; A202-Q206 WeakPolarHBondContact O-CA 3.34Å; A202-Q206 PolarHBondContact O-N 3.01Å; A202-I211 HydrophobicContact CB-CB 4.43Å
203E97.6Very high96.2Very high141 Ų14165.8 Ų65.866%0.65936%0.36SS*.Hα-helixtrans-62.9-44.5174.1-174.1176.2-168.100111.5S199 R200 Y205 Q206S199-E203 WeakPolarHBondContact O-CB 3.4Å; S199-E203 PolarHBondContact O-N 3.31Å; R200-E203 PolarHBondContact O-N 2.86Å; E203-Y205 VanDerWaalsContact C-N 3.25Å; E203-Y205 PolarHBondContact O-N 3.47Å; E203-Q206 WeakPolarHBondContact O-CB 3.42Å; E203-Q206 PolarHBondContact O-N 3.29Å
204K97.9Very high96.3Very high133 Ų13366 Ų6658%0.57836%0.357SS*.Hα-helixtrans-57-36.8177.7-179.9178.8177.3-177.20113.2R200 L201 D242R200-K204 WeakPolarHBondContact O-CB 3.39Å; R200-K204 PolarHBondContact O-N 3.26Å; L201-K204 PolarHBondContact O-N 2.84Å; K204-D242 IonicContact NZ-OD2 3.86Å; K204-D242 PolarHBondContact NZ-OD2 2.92Å
205Y97.5Very high96.3Very high24 Ų2468.1 Ų68.19%0.09437%0.371CS..THydrogen-bonded Turntrans-107.616.1-176.7-67.6-77.6000113.6L201 A202 E203 G207 V208 V209 T235 L238 A239 D242L201-Y205 HydrophobicContact CD1-CD2 4.01Å; L201-Y205 HydrophobicContact CD1-CE2 3.76Å; L201-Y205 HydrophobicContact CG-CD2 4.36Å; L201-Y205 WeakPolarHBondContact O-CD2 3.48Å; L201-Y205 PolarHBondContact O-N 3.05Å; A202-Y205 CarbonylContact O-C 3.58Å; A202-Y205 PolarHBondContact O-N 3.33Å; E203-Y205 VanDerWaalsContact C-N 3.25Å; E203-Y205 PolarHBondContact O-N 3.47Å; Y205-G207 PolarHBondContact O-N 3.16Å; Y205-V208 PolarHBondContact O-N 2.92Å; Y205-V208 VanDerWaalsContact O-N 3.14Å; Y205-V209 HydrophobicContact CD1-CG2 4.27Å; Y205-V209 HydrophobicContact CG-CG2 4.45Å; Y205-V209 PolarHBondContact O-N 2.82Å; Y205-T235 HydrophobicContact CD1-CG2 3.89Å; Y205-T235 HydrophobicContact CE1-CG2 4.12Å; Y205-L238 HydrophobicContact CE1-CB 4.41Å; Y205-A239 HydrophobicContact CD1-CB 3.91Å; Y205-A239 HydrophobicContact CD2-CB 3.67Å; Y205-A239 HydrophobicContact CE1-CB 3.89Å; Y205-A239 HydrophobicContact CE2-CB 3.66Å; Y205-A239 HydrophobicContact CG-CB 3.8Å; Y205-A239 VanDerWaalsContact CZ-CA 3.46Å; Y205-D242 HydrophobicContact CE2-CB 4.47Å; Y205-D242 WeakPolarHBondContact CE2-OD2 3.42Å; Y205-D242 PolarHBondContact OH-OD2 3.35Å
206Q95.1Very high96.1Very high153 Ų15367.1 Ų67.172%0.71536%0.363SS*.THydrogen-bonded Turntrans-55.4134.1-175.2-173.4178.95.900111.8A202 E203 V208A202-Q206 WeakPolarHBondContact O-CA 3.34Å; A202-Q206 PolarHBondContact O-N 3.01Å; E203-Q206 WeakPolarHBondContact O-CB 3.42Å; E203-Q206 PolarHBondContact O-N 3.29Å; Q206-V208 PolarHBondContact O-N 2.85Å
207G93.2Very high95.6Very high79 Ų7967.2 Ų67.281%0.81436%0.364SS*.THydrogen-bonded Turntrans82.6-13.7178.600000114.9Y205Y205-G207 PolarHBondContact O-N 3.16Å
208V94.7Very high95.1Very high46 Ų4673.9 Ų73.928%0.27939%0.393SS..THydrogen-bonded Turntrans-116.2-41.3179.7-170.60000112.3Y205 Q206 S230 E232 T235Y205-V208 PolarHBondContact O-N 2.92Å; Y205-V208 VanDerWaalsContact O-N 3.14Å; Q206-V208 PolarHBondContact O-N 2.85Å; V208-S230 WeakPolarHBondContact O-CB 3.38Å; V208-S230 PolarHBondContact O-OG 2.95Å; V208-E232 HydrophobicContact CG1-CB 4.28Å; V208-E232 HydrophobicContact CG1-CG 4.28Å; V208-E232 VanDerWaalsContact CG1-OE2 3.32Å; V208-E232 WeakPolarHBondContact CG1-OE2 3.48Å; V208-T235 HydrophobicContact CB-CG2 4.29Å; V208-T235 HydrophobicContact CG1-CG2 3.65Å
209V97.3Very high94.7Very high7 Ų774.4 Ų74.44%0.04240%0.396CS..EExtended strand (participates in β ladder)trans-121.4124175.6-171.90000109.6Y205 I211 F228 T235 A239Y205-V209 HydrophobicContact CD1-CG2 4.27Å; Y205-V209 HydrophobicContact CG-CG2 4.45Å; Y205-V209 PolarHBondContact O-N 2.82Å; V209-I211 HydrophobicContact CG1-CG1 4.02Å; V209-F228 HydrophobicContact CG1-CB 4.22Å; V209-F228 HydrophobicContact CG1-CD1 4.29Å; V209-T235 HydrophobicContact CG2-CG2 3.96Å; V209-A239 HydrophobicContact CB-CB 4.42Å; V209-A239 HydrophobicContact CG1-CB 4.21Å; V209-A239 HydrophobicContact CG2-CB 4.1Å
210S96.3Very high94.4Very high78 Ų7877.6 Ų77.655%0.54541%0.407SS..EExtended strand (participates in β ladder)trans-82.4121168.2178.10000108.5F228 D229S210-F228 WeakPolarHBondContact O-CA 3.32Å; S210-D229 PolarHBondContact N-O 3.25Å; S210-D229 PolarHBondContact O-N 2.74Å
211I97.6Very high94.1Very high27 Ų2777.5 Ų77.514%0.13841%0.408CS..EExtended strand (participates in β ladder)trans-112.7117.2178.5-52-176.4000108.1L198 L201 A202 V209 I226 A227 F228L198-I211 HydrophobicContact CD1-CG2 3.66Å; L198-I211 HydrophobicContact CG-CG2 4.49Å; L201-I211 HydrophobicContact CB-CD1 4.44Å; L201-I211 HydrophobicContact CD2-CD1 3.87Å; L201-I211 HydrophobicContact CG-CD1 3.73Å; A202-I211 HydrophobicContact CB-CB 4.43Å; V209-I211 HydrophobicContact CG1-CG1 4.02Å; I211-I226 HydrophobicContact CG2-CG2 3.74Å; I211-A227 CarbonylContact C-O 3.48Å; I211-A227 WeakPolarHBondContact CA-O 3.44Å; I211-F228 HydrophobicContact CD1-CD1 4.09Å; I211-F228 HydrophobicContact CD1-CE1 3.92Å; I211-F228 HydrophobicContact CG1-CD1 3.89Å; I211-F228 HydrophobicContact CG1-CE1 4.11Å; I211-F228 HydrophobicContact CG2-CD1 4.25Å; I211-F228 HydrophobicContact CG2-CE1 3.93Å; I211-F228 HydrophobicContact CG2-CZ 4.42Å
212G95.3Very high93.9Very high17 Ų1778.6 Ų78.618%0.17541%0.411CS..EExtended strand (participates in β ladder)trans-116.1147.9179.900000112I226 A227G212-I226 CarbonylContact O-C 3.57Å; G212-I226 VanDerWaalsContact O-CA 3.29Å; G212-I226 WeakPolarHBondContact O-CA 3.39Å; G212-A227 PolarHBondContact N-O 2.75Å; G212-A227 PolarHBondContact O-N 2.84Å
213S96.2Very high93.8Very high27 Ų2782.4 Ų82.419%0.18942%0.418CS..EExtended strand (participates in β ladder)trans-114.7134.6174.1171.70000110.4E191 V224E191-S213 WeakPolarHBondContact OE1-CB 3.31Å; E191-S213 PolarHBondContact OE1-OG 2.82Å; S213-V224 WeakPolarHBondContact OG-CG1 3.49Å
214Y95.1Very high93.8Very high114 Ų11475.7 Ų75.745%0.44739%0.387SS..EExtended strand (participates in β ladder)trans-133.894.2-176.1-59.3-92.4000109.5R225 A227Y214-R225 VanDerWaalsContact CG-NH2 3.28Å; Y214-R225 PolarHBondContact N-O 3.2Å; Y214-R225 PolarHBondContact O-N 2.93Å; Y214-A227 HydrophobicContact CD2-CB 4.15Å; Y214-A227 HydrophobicContact CE2-CB 3.62Å
215P95.3Very high93.7Very high46 Ų4671.9 Ų71.930%0.29937%0.369SS..EExtended strand (participates in β ladder)trans-61.4140.4173.2-23.634.1000112.4E191 F217 R223E191-P215 HydrophobicContact CB-CG 4.1Å; E191-P215 WeakPolarHBondContact OE2-CG 3.31Å; P215-F217 HydrophobicContact CB-CE1 4.38Å; P215-F217 HydrophobicContact CB-CE2 4.06Å; P215-F217 HydrophobicContact CB-CZ 3.89Å; P215-R223 CarbonylContact C-O 3.55Å; P215-R223 WeakPolarHBondContact CA-O 3.21Å
216A92.8Very high93.7Very high18 Ų1870.8 Ų70.815%0.14936%0.364CS..  trans-12382-179.900000110.5H218 N219 Y222 R223A216-H218 VanDerWaalsContact C-N 3.26Å; A216-H218 PolarHBondContact O-N 3.05Å; A216-N219 HydrophobicContact CB-CB 3.76Å; A216-N219 PolarHBondContact O-N 2.98Å; A216-Y222 HydrophobicContact CB-CD2 4Å; A216-Y222 HydrophobicContact CB-CE2 3.39Å; A216-R223 PolarHBondContact N-O 2.88Å
217F84.4Confident93.8Very high163 Ų16363.5 Ų63.572%0.71533%0.331SS*.THydrogen-bonded Turntrans-61.2-29.8-173.8-59.8-73.4000114.8P215P215-F217 HydrophobicContact CB-CE1 4.38Å; P215-F217 HydrophobicContact CB-CE2 4.06Å; P215-F217 HydrophobicContact CB-CZ 3.89Å
218H87.2Confident94.1Very high185 Ų18559.8 Ų59.886%0.85629%0.292SS*.THydrogen-bonded Turntrans-108.410.2-175.2-55.3103.8000113.3A216A216-H218 VanDerWaalsContact C-N 3.26Å; A216-H218 PolarHBondContact O-N 3.05Å
219N87.7Confident94.1Very high30 Ų3060.3 Ų60.316%0.1629%0.293CS..  trans-91130.9179-168.2-62.1000110.5A216 Y221 Y222 R223A216-N219 HydrophobicContact CB-CB 3.76Å; A216-N219 PolarHBondContact O-N 2.98Å; N219-Y221 WeakPolarHBondContact OD1-CA 3.16Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.3Å; N219-Y221 PolarHBondContact OD1-N 3.01Å; N219-Y222 HydrophobicContact CB-CE1 4.38Å; N219-Y222 WeakPolarHBondContact ND2-CE1 3.27Å; N219-Y222 WeakPolarHBondContact OD1-CD1 3.26Å; N219-Y222 PolarHBondContact OD1-N 3.12Å; N219-R223 PolarHBondContact O-NH1 2.83Å
220N89Confident94.1Very high144 Ų14460.3 Ų60.377%0.7729%0.294SS*.SBendtrans-81-14-177.8-69.2-30.1000114
221Y90.8Very high94.1Very high151 Ų15159.2 Ų59.259%0.59228%0.281SS*.SBendtrans-102.5-40.2-172-57.8-80.3000112.8N219 I252 Y254N219-Y221 WeakPolarHBondContact OD1-CA 3.16Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.3Å; N219-Y221 PolarHBondContact OD1-N 3.01Å; Y221-I252 WeakPolarHBondContact O-CD1 3.19Å; Y221-Y254 AromaticContact CD2-CE2 3.85Å; Y221-Y254 HydrophobicContact CD2-CE2 3.85Å; Y221-Y254 HydrophobicContact CG-CD2 4.2Å; Y221-Y254 HydrophobicContact CG-CE2 4Å
222Y94.5Very high94Very high31 Ų3161.1 Ų61.112%0.12229%0.29CS..  trans-136.5162.617970.9-90.4000111Y186 A216 N219 R225 Y254Y186-Y222 AromaticContact CD1-CD1 3.6Å; Y186-Y222 HydrophobicContact CD1-CD1 3.6Å; Y186-Y222 AromaticContact CD1-CD2 3.84Å; Y186-Y222 HydrophobicContact CD1-CD2 3.84Å; Y186-Y222 AromaticContact CD1-CE1 3.58Å; Y186-Y222 HydrophobicContact CD1-CE1 3.58Å; Y186-Y222 AromaticContact CD1-CE2 3.83Å; Y186-Y222 HydrophobicContact CD1-CE2 3.83Å; Y186-Y222 AromaticContact CD1-CG 3.73Å; Y186-Y222 HydrophobicContact CD1-CG 3.73Å; Y186-Y222 AromaticContact CD1-CZ 3.7Å; Y186-Y222 HydrophobicContact CE1-CD1 4.3Å; Y186-Y222 AromaticContact CE1-CE1 3.82Å; Y186-Y222 HydrophobicContact CE1-CE1 3.82Å; Y186-Y222 HydrophobicContact CE1-CE2 4.27Å; Y186-Y222 AromaticContact CE1-CZ 3.82Å; Y186-Y222 HydrophobicContact CG-CD1 4.37Å; Y186-Y222 HydrophobicContact CG-CG 4.39Å; A216-Y222 HydrophobicContact CB-CD2 4Å; A216-Y222 HydrophobicContact CB-CE2 3.39Å; N219-Y222 HydrophobicContact CB-CE1 4.38Å; N219-Y222 WeakPolarHBondContact ND2-CE1 3.27Å; N219-Y222 WeakPolarHBondContact OD1-CD1 3.26Å; N219-Y222 PolarHBondContact OD1-N 3.12Å; Y222-R225 HydrophobicContact CD2-CB 4.46Å; Y222-R225 HydrophobicContact CE2-CB 3.82Å; Y222-Y254 HydrophobicContact CD1-CD1 4.01Å; Y222-Y254 HydrophobicContact CD1-CD2 4.21Å; Y222-Y254 HydrophobicContact CD1-CE1 4.1Å; Y222-Y254 HydrophobicContact CD1-CE2 4.32Å; Y222-Y254 HydrophobicContact CD1-CG 4.05Å; Y222-Y254 AromaticContact CE1-CD1 3.86Å; Y222-Y254 HydrophobicContact CE1-CD1 3.86Å; Y222-Y254 AromaticContact CE1-CE1 3.56Å; Y222-Y254 HydrophobicContact CE1-CE1 3.56Å; Y222-Y254 HydrophobicContact CE1-CE2 4.35Å; Y222-Y254 HydrophobicContact CE1-CG 4.35Å; Y222-Y254 AromaticContact CE1-CZ 3.84Å
223R95.2Very high94Very high116 Ų11663.7 Ų63.744%0.43830%0.297SS..SBendtrans-108.8-33.6179-67.6-63.2-178-104.7-1.6112.7L187 T188 T189 P215 A216 N219L187-R223 PolarHBondContact O-N 2.78Å; T188-R223 WeakPolarHBondContact O-CG 3.42Å; T189-R223 VanDerWaalsContact O-CB 3.24Å; T189-R223 WeakPolarHBondContact O-CB 3.32Å; P215-R223 CarbonylContact C-O 3.55Å; P215-R223 WeakPolarHBondContact CA-O 3.21Å; A216-R223 PolarHBondContact N-O 2.88Å; N219-R223 PolarHBondContact O-NH1 2.83Å
224V96.6Very high94.1Very high0 Ų067.9 Ų67.90%032%0.318CS..EExtended strand (participates in β ladder)trans-135.5135.8177.6179.60000110.2L187 T189 E191 I194 S213 I226L187-V224 PolarHBondContact N-O 2.96Å; L187-V224 PolarHBondContact O-N 3.21Å; L187-V224 VanDerWaalsContact O-N 3.12Å; T189-V224 WeakPolarHBondContact O-CG2 3.4Å; E191-V224 HydrophobicContact CB-CG2 3.94Å; I194-V224 HydrophobicContact CD1-CG1 4.27Å; S213-V224 WeakPolarHBondContact OG-CG1 3.49Å; V224-I226 HydrophobicContact CG1-CD1 3.54Å; V224-I226 HydrophobicContact CG1-CG1 4.31Å
225R96.7Very high94.1Very high54 Ų5464 Ų6420%0.20431%0.306CS..EExtended strand (participates in β ladder)trans-103.8123.5165.3-179.3-176.467.1933.2109.1S184 L185 Y186 Y214 Y222S184-R225 PolarHBondContact OG-NH1 2.82Å; L185-R225 CarbonylContact O-C 3.52Å; L185-R225 VanDerWaalsContact O-CA 3.3Å; L185-R225 WeakPolarHBondContact O-CA 3.48Å; Y186-R225 HydrophobicContact CD1-CB 4Å; Y186-R225 HydrophobicContact CD1-CG 3.95Å; Y186-R225 HydrophobicContact CE1-CB 3.99Å; Y186-R225 HydrophobicContact CE1-CG 3.59Å; Y214-R225 VanDerWaalsContact CG-NH2 3.28Å; Y214-R225 PolarHBondContact N-O 3.2Å; Y214-R225 PolarHBondContact O-N 2.93Å; Y222-R225 HydrophobicContact CD2-CB 4.46Å; Y222-R225 HydrophobicContact CE2-CB 3.82Å
226I97.3Very high94.3Very high0 Ų061.9 Ų61.90%029%0.292CS..EExtended strand (participates in β ladder)trans-96.9124.3170.7-52.4-58000108.3S184 L185 L187 I194 L198 I211 G212 V224 F228S184-I226 CarbonylContact C-O 3.56Å; S184-I226 WeakPolarHBondContact CA-O 3.41Å; L185-I226 HydrophobicContact CB-CB 4.39Å; L185-I226 PolarHBondContact N-O 3.34Å; L185-I226 PolarHBondContact O-N 2.93Å; L187-I226 HydrophobicContact CD1-CG1 3.81Å; L187-I226 HydrophobicContact CG-CG1 4.49Å; I194-I226 HydrophobicContact CD1-CD1 3.95Å; I194-I226 HydrophobicContact CD1-CG1 4.49Å; L198-I226 HydrophobicContact CD1-CD1 4.06Å; L198-I226 HydrophobicContact CD1-CG1 4.48Å; L198-I226 HydrophobicContact CD1-CG2 3.88Å; L198-I226 HydrophobicContact CD2-CD1 3.94Å; I211-I226 HydrophobicContact CG2-CG2 3.74Å; G212-I226 CarbonylContact O-C 3.57Å; G212-I226 VanDerWaalsContact O-CA 3.29Å; G212-I226 WeakPolarHBondContact O-CA 3.39Å; V224-I226 HydrophobicContact CG1-CD1 3.54Å; V224-I226 HydrophobicContact CG1-CG1 4.31Å; I226-F228 HydrophobicContact CB-CE2 4.07Å; I226-F228 HydrophobicContact CB-CZ 4.36Å; I226-F228 HydrophobicContact CG2-CD2 4.36Å; I226-F228 HydrophobicContact CG2-CE1 4.29Å; I226-F228 HydrophobicContact CG2-CE2 3.55Å; I226-F228 HydrophobicContact CG2-CZ 3.49Å; I226-F228 VanDerWaalsContact CG2-CZ 3.49Å
227A97.1Very high94.5Very high1 Ų165.1 Ų65.11%0.00830%0.303CS..EExtended strand (participates in β ladder)trans-104.1140.7177.500000110.6I211 G212 Y214I211-A227 CarbonylContact C-O 3.48Å; I211-A227 WeakPolarHBondContact CA-O 3.44Å; G212-A227 PolarHBondContact N-O 2.75Å; G212-A227 PolarHBondContact O-N 2.84Å; Y214-A227 HydrophobicContact CD2-CB 4.15Å; Y214-A227 HydrophobicContact CE2-CB 3.62Å
228F98.1Very high95.2Very high0 Ų062.1 Ų62.10%029%0.293CS..EExtended strand (participates in β ladder)trans-123.2122.3175.5-56.8-97.8000108.1H182 R183 L185 L201 V209 S210 I211 I226 L236 A239 Y240 A243H182-F228 CarbonylContact C-O 3.41Å; H182-F228 VanDerWaalsContact CA-O 3.31Å; H182-F228 WeakPolarHBondContact CA-O 3.47Å; R183-F228 HydrophobicContact CB-CB 4.43Å; R183-F228 PolarHBondContact N-O 3.33Å; R183-F228 PolarHBondContact O-N 3Å; L185-F228 HydrophobicContact CB-CE2 4.38Å; L185-F228 HydrophobicContact CD1-CE2 4Å; L185-F228 HydrophobicContact CD1-CZ 4.16Å; L185-F228 HydrophobicContact CG-CE2 4.11Å; L201-F228 HydrophobicContact CD2-CE1 4.06Å; L201-F228 HydrophobicContact CD2-CZ 4.49Å; V209-F228 HydrophobicContact CG1-CB 4.22Å; V209-F228 HydrophobicContact CG1-CD1 4.29Å; S210-F228 WeakPolarHBondContact O-CA 3.32Å; I211-F228 HydrophobicContact CD1-CD1 4.09Å; I211-F228 HydrophobicContact CD1-CE1 3.92Å; I211-F228 HydrophobicContact CG1-CD1 3.89Å; I211-F228 HydrophobicContact CG1-CE1 4.11Å; I211-F228 HydrophobicContact CG2-CD1 4.25Å; I211-F228 HydrophobicContact CG2-CE1 3.93Å; I211-F228 HydrophobicContact CG2-CZ 4.42Å; I226-F228 HydrophobicContact CB-CE2 4.07Å; I226-F228 HydrophobicContact CB-CZ 4.36Å; I226-F228 HydrophobicContact CG2-CD2 4.36Å; I226-F228 HydrophobicContact CG2-CE1 4.29Å; I226-F228 HydrophobicContact CG2-CE2 3.55Å; I226-F228 HydrophobicContact CG2-CZ 3.49Å; I226-F228 VanDerWaalsContact CG2-CZ 3.49Å; F228-L236 HydrophobicContact CB-CD1 4.32Å; F228-L236 HydrophobicContact CB-CG 4.26Å; F228-A239 HydrophobicContact CD1-CB 4.34Å; F228-Y240 AromaticContact CD2-CD2 3.99Å; F228-Y240 HydrophobicContact CD2-CD2 3.99Å; F228-Y240 HydrophobicContact CE2-CD2 4.11Å; F228-A243 HydrophobicContact CE1-CB 3.98Å; F228-A243 HydrophobicContact CE2-CB 4.42Å; F228-A243 HydrophobicContact CZ-CB 3.45Å; F228-A243 VanDerWaalsContact CZ-CB 3.45Å
229D96.5Very high95.7Very high57 Ų5753.3 Ų53.331%0.30525%0.253SS..EExtended strand (participates in β ladder)trans-126.9130.7179.7-62.2-72.1000110.1F181 H182 S210F181-D229 WeakPolarHBondContact O-CA 3.47Å; H182-D229 IonicContact CE1-OD1 2.65Å; H182-D229 IonicContact CG-OD1 3.81Å; H182-D229 IonicContact ND1-OD1 2.7Å; H182-D229 PolarHBondContact ND1-OD1 2.87Å; H182-D229 IonicContact ND1-OD2 3.51Å; S210-D229 PolarHBondContact N-O 3.25Å; S210-D229 PolarHBondContact O-N 2.74Å
230S96.5Very high96.2Very high8 Ų854.5 Ų54.56%0.05626%0.255CS..EExtended strand (participates in β ladder)trans-154164.1178.9-169.20000112.2F181 V208 E232F181-S230 PolarHBondContact N-O 3.25Å; F181-S230 PolarHBondContact O-N 3Å; V208-S230 WeakPolarHBondContact O-CB 3.38Å; V208-S230 PolarHBondContact O-OG 2.95Å; S230-E232 PolarHBondContact OG-N 2.7Å; S230-E232 PolarHBondContact OG-O 3.48Å
231L95.9Very high96.6Very high54 Ų5454.4 Ų54.428%0.28325%0.248SC..SBendtrans-93.9-8.7165.8-60.8173.1000111.8V2 P4 V178 I179 F180V2-L231 WeakPolarHBondContact O-CD1 3.32Å; P4-L231 HydrophobicContact CG-CD1 4.12Å; V178-L231 HydrophobicContact CG1-CD2 3.86Å; I179-L231 WeakPolarHBondContact O-CD2 3.48Å; F180-L231 HydrophobicContact CD1-CD2 3.87Å; F180-L231 HydrophobicContact CD2-CD2 4.42Å; F180-L231 HydrophobicContact CE1-CD2 3.9Å; F180-L231 HydrophobicContact CE2-CD2 4.44Å; F180-L231 HydrophobicContact CG-CD2 4.15Å; F180-L231 HydrophobicContact CZ-CD2 4.2Å
232E95.2Very high96.9Very high67 Ų6749.6 Ų49.631%0.31323%0.232SC..  trans-112.9106.8-179.8-65.6-176.9-169.800110.1V208 S230 D234 T235 L236V208-E232 HydrophobicContact CG1-CB 4.28Å; V208-E232 HydrophobicContact CG1-CG 4.28Å; V208-E232 VanDerWaalsContact CG1-OE2 3.32Å; V208-E232 WeakPolarHBondContact CG1-OE2 3.48Å; S230-E232 PolarHBondContact OG-N 2.7Å; S230-E232 PolarHBondContact OG-O 3.48Å; E232-D234 PolarHBondContact O-N 3.43Å; E232-T235 PolarHBondContact OE2-OG1 2.84Å; E232-L236 WeakPolarHBondContact O-CB 3.32Å; E232-L236 PolarHBondContact O-N 3.03Å
233E96.1Very high97Very high71 Ų7148.1 Ų48.133%0.33223%0.227SC..Hα-helixtrans-62.2-42.6-175.7-162.7-174.6165.500112.7F181 L236 K237F181-E233 HydrophobicContact CD1-CB 3.9Å; F181-E233 HydrophobicContact CD1-CG 3.63Å; F181-E233 HydrophobicContact CD2-CB 4Å; F181-E233 HydrophobicContact CE1-CB 3.75Å; F181-E233 HydrophobicContact CE1-CG 3.69Å; F181-E233 HydrophobicContact CE2-CB 3.87Å; F181-E233 HydrophobicContact CG-CB 4.02Å; F181-E233 HydrophobicContact CG-CG 4.09Å; F181-E233 HydrophobicContact CZ-CB 3.74Å; F181-E233 HydrophobicContact CZ-CG 4.21Å; E233-L236 PolarHBondContact O-N 3.03Å; E233-K237 HydrophobicContact CG-CD 4.41Å; E233-K237 WeakPolarHBondContact O-CG 3.39Å; E233-K237 PolarHBondContact O-N 2.87Å; E233-K237 WeakPolarHBondContact OE1-CE 3.33Å; E233-K237 IonicContact OE1-NZ 3.98Å; E233-K237 PolarHBondContact OE1-NZ 3.46Å; E233-K237 IonicContact OE2-NZ 2.75Å
234D97.3Very high97.1Very high116 Ų11646.3 Ų46.362%0.6222%0.223SC*.Hα-helixtrans-68.7-43.9-176.4-66.4-30.6000111.9E232 L236 K237 L238E232-D234 PolarHBondContact O-N 3.43Å; D234-L236 VanDerWaalsContact C-N 3.3Å; D234-L236 PolarHBondContact O-N 3.29Å; D234-K237 WeakPolarHBondContact O-CB 3.4Å; D234-K237 PolarHBondContact O-N 3.29Å; D234-K237 IonicContact OD1-NZ 2.7Å; D234-L238 WeakPolarHBondContact O-CG 3.27Å; D234-L238 PolarHBondContact O-N 3.2Å
235T96.7Very high97.1Very high33 Ų3351.2 Ų51.220%0.20226%0.256CS..Hα-helixtrans-63.4-39174.9-48.90000111.1Y205 V208 V209 E232 L238 A239Y205-T235 HydrophobicContact CD1-CG2 3.89Å; Y205-T235 HydrophobicContact CE1-CG2 4.12Å; V208-T235 HydrophobicContact CB-CG2 4.29Å; V208-T235 HydrophobicContact CG1-CG2 3.65Å; V209-T235 HydrophobicContact CG2-CG2 3.96Å; E232-T235 PolarHBondContact OE2-OG1 2.84Å; T235-L238 PolarHBondContact O-N 3.44Å; T235-A239 PolarHBondContact O-N 3.31Å
236L97.8Very high97.1Very high1 Ų152.2 Ų52.21%0.00527%0.265CS..Hα-helixtrans-63.2-42.1174.4-175.7148.5000112.1F181 R183 F228 E232 E233 D234 L238 A239 Y240F181-L236 HydrophobicContact CB-CD1 3.89Å; F181-L236 VanDerWaalsContact O-CD1 3.31Å; F181-L236 WeakPolarHBondContact O-CD1 3.37Å; R183-L236 HydrophobicContact CB-CD2 3.95Å; R183-L236 HydrophobicContact CG-CD2 3.37Å; F228-L236 HydrophobicContact CB-CD1 4.32Å; F228-L236 HydrophobicContact CB-CG 4.26Å; E232-L236 WeakPolarHBondContact O-CB 3.32Å; E232-L236 PolarHBondContact O-N 3.03Å; E233-L236 PolarHBondContact O-N 3.03Å; D234-L236 VanDerWaalsContact C-N 3.3Å; D234-L236 PolarHBondContact O-N 3.29Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 2.92Å; L236-A239 PolarHBondContact O-N 3.44Å; L236-Y240 VanDerWaalsContact O-CB 3.3Å; L236-Y240 WeakPolarHBondContact O-CB 3.42Å; L236-Y240 PolarHBondContact O-N 3.05Å
237K98.1Very high97.1Very high86 Ų8652.2 Ų52.237%0.37427%0.265SS..Hα-helixtrans-61.2-40.4175.6-76.1167.6-178157.70111.7E233 D234 K241E233-K237 HydrophobicContact CG-CD 4.41Å; E233-K237 WeakPolarHBondContact O-CG 3.39Å; E233-K237 PolarHBondContact O-N 2.87Å; E233-K237 WeakPolarHBondContact OE1-CE 3.33Å; E233-K237 IonicContact OE1-NZ 3.98Å; E233-K237 PolarHBondContact OE1-NZ 3.46Å; E233-K237 IonicContact OE2-NZ 2.75Å; D234-K237 WeakPolarHBondContact O-CB 3.4Å; D234-K237 PolarHBondContact O-N 3.29Å; D234-K237 IonicContact OD1-NZ 2.7Å; K237-K241 WeakPolarHBondContact O-CB 3.22Å; K237-K241 PolarHBondContact O-N 2.65Å
238L97.9Very high97Very high99 Ų9959.5 Ų59.552%0.51830%0.297SS..Hα-helixtrans-64-48.1175.3-69.6172000111.5Y205 D234 T235 L236 Y240 K241 D242Y205-L238 HydrophobicContact CE1-CB 4.41Å; D234-L238 WeakPolarHBondContact O-CG 3.27Å; D234-L238 PolarHBondContact O-N 3.2Å; T235-L238 PolarHBondContact O-N 3.44Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 2.92Å; L238-Y240 VanDerWaalsContact C-N 3.32Å; L238-Y240 PolarHBondContact O-N 3.26Å; L238-K241 PolarHBondContact O-N 3.33Å; L238-D242 PolarHBondContact O-N 3.17Å
239A98.1Very high96.8Very high0 Ų066.3 Ų66.30%033%0.333CS..Hα-helixtrans-60.3-42.3177.600000112.4Y205 V209 F228 T235 L236 D242 A243Y205-A239 HydrophobicContact CD1-CB 3.91Å; Y205-A239 HydrophobicContact CD2-CB 3.67Å; Y205-A239 HydrophobicContact CE1-CB 3.89Å; Y205-A239 HydrophobicContact CE2-CB 3.66Å; Y205-A239 HydrophobicContact CG-CB 3.8Å; Y205-A239 VanDerWaalsContact CZ-CA 3.46Å; V209-A239 HydrophobicContact CB-CB 4.42Å; V209-A239 HydrophobicContact CG1-CB 4.21Å; V209-A239 HydrophobicContact CG2-CB 4.1Å; F228-A239 HydrophobicContact CD1-CB 4.34Å; T235-A239 PolarHBondContact O-N 3.31Å; L236-A239 PolarHBondContact O-N 3.44Å; A239-D242 PolarHBondContact O-N 2.98Å; A239-A243 PolarHBondContact O-N 3Å
240Y98Very high96.8Very high55 Ų5567.8 Ų67.822%0.21634%0.335CS..Hα-helixtrans-62.5-45.3175.8-177.7-90.6000111.7R183 L185 F228 L236 L238 D242 A243 E244R183-Y240 HydrophobicContact CB-CD2 3.57Å; R183-Y240 HydrophobicContact CB-CE2 3.9Å; R183-Y240 HydrophobicContact CB-CG 4.35Å; R183-Y240 HydrophobicContact CG-CD2 4.23Å; L185-Y240 HydrophobicContact CD1-CD2 4.47Å; L185-Y240 HydrophobicContact CD1-CE2 4.32Å; L185-Y240 HydrophobicContact CD2-CD2 4.47Å; L185-Y240 HydrophobicContact CD2-CE1 4.32Å; L185-Y240 HydrophobicContact CD2-CE2 3.58Å; L185-Y240 VanDerWaalsContact CD2-CZ 3.46Å; L185-Y240 VanDerWaalsContact CD2-OH 3.22Å; L185-Y240 WeakPolarHBondContact CD2-OH 3.36Å; L185-Y240 HydrophobicContact CG-CD2 4.07Å; L185-Y240 HydrophobicContact CG-CE2 3.51Å; F228-Y240 AromaticContact CD2-CD2 3.99Å; F228-Y240 HydrophobicContact CD2-CD2 3.99Å; F228-Y240 HydrophobicContact CE2-CD2 4.11Å; L236-Y240 VanDerWaalsContact O-CB 3.3Å; L236-Y240 WeakPolarHBondContact O-CB 3.42Å; L236-Y240 PolarHBondContact O-N 3.05Å; L238-Y240 VanDerWaalsContact C-N 3.32Å; L238-Y240 PolarHBondContact O-N 3.26Å; Y240-D242 PolarHBondContact O-N 2.56Å; Y240-A243 WeakPolarHBondContact O-CB 3.33Å; Y240-A243 PolarHBondContact O-N 2.96Å; Y240-E244 HydrophobicContact CD1-CG 4.14Å; Y240-E244 HydrophobicContact CE1-CG 3.79Å; Y240-E244 VanDerWaalsContact CE1-OE1 3.26Å; Y240-E244 WeakPolarHBondContact CE1-OE1 3.48Å; Y240-E244 WeakPolarHBondContact O-CG 3.48Å; Y240-E244 PolarHBondContact O-N 3.22Å
241K97.8Very high96.7Very high143 Ų14370.2 Ų70.262%0.62235%0.347SS*.Hα-helixtrans-64.9-38.8178-174.5179180-178.40112.7K237 L238 A243 E244 C245K237-K241 WeakPolarHBondContact O-CB 3.22Å; K237-K241 PolarHBondContact O-N 2.65Å; L238-K241 PolarHBondContact O-N 3.33Å; K241-A243 VanDerWaalsContact C-N 3.33Å; K241-E244 WeakPolarHBondContact O-CB 3.44Å; K241-E244 PolarHBondContact O-N 3.41Å; K241-C245 PolarHBondContact O-N 3.47Å
242D97.8Very high96.6Very high49 Ų4970.1 Ų70.126%0.26235%0.346SS..Hα-helixtrans-62.7-42.6174-78.4-6.7000111.2L201 K204 Y205 L238 A239 Y240 E244 C245 L246L201-D242 HydrophobicContact CD1-CB 3.81Å; K204-D242 IonicContact NZ-OD2 3.86Å; K204-D242 PolarHBondContact NZ-OD2 2.92Å; Y205-D242 HydrophobicContact CE2-CB 4.47Å; Y205-D242 WeakPolarHBondContact CE2-OD2 3.42Å; Y205-D242 PolarHBondContact OH-OD2 3.35Å; L238-D242 PolarHBondContact O-N 3.17Å; A239-D242 PolarHBondContact O-N 2.98Å; Y240-D242 PolarHBondContact O-N 2.56Å; D242-E244 VanDerWaalsContact C-N 3.34Å; D242-C245 PolarHBondContact O-N 3.31Å; D242-L246 VanDerWaalsContact O-CB 3.32Å; D242-L246 WeakPolarHBondContact O-CB 3.3Å; D242-L246 PolarHBondContact O-N 3.22Å
243A97.3Very high96.4Very high0 Ų076.2 Ų76.20%038%0.375CS..Hα-helixtrans-63.6-38.9174.500000112.2L185 L201 F228 A239 Y240 K241 C245 L246 F247L185-A243 HydrophobicContact CD1-CB 3.47Å; L185-A243 VanDerWaalsContact CD1-CB 3.47Å; L201-A243 HydrophobicContact CD2-CB 3.7Å; F228-A243 HydrophobicContact CE1-CB 3.98Å; F228-A243 HydrophobicContact CE2-CB 4.42Å; F228-A243 HydrophobicContact CZ-CB 3.45Å; F228-A243 VanDerWaalsContact CZ-CB 3.45Å; A239-A243 PolarHBondContact O-N 3Å; Y240-A243 WeakPolarHBondContact O-CB 3.33Å; Y240-A243 PolarHBondContact O-N 2.96Å; K241-A243 VanDerWaalsContact C-N 3.33Å; A243-C245 VanDerWaalsContact C-N 3.28Å; A243-C245 PolarHBondContact O-N 3.01Å; A243-L246 PolarHBondContact O-N 2.9Å; A243-F247 HydrophobicContact CB-CD2 4.13Å; A243-F247 HydrophobicContact CB-CE2 4.23Å; A243-F247 VanDerWaalsContact O-CD2 3.27Å; A243-F247 WeakPolarHBondContact O-CD2 3.34Å; A243-F247 PolarHBondContact O-N 2.92Å
244E97.3Very high96.1Very high78 Ų7876.1 Ų76.136%0.36437%0.372SS..Hα-helixtrans-59.7-40.3173.9-76.2-174.513300112L185 Y240 K241 D242 K248 I251L185-E244 HydrophobicContact CD1-CG 4.26Å; L185-E244 HydrophobicContact CD2-CG 3.89Å; Y240-E244 HydrophobicContact CD1-CG 4.14Å; Y240-E244 HydrophobicContact CE1-CG 3.79Å; Y240-E244 VanDerWaalsContact CE1-OE1 3.26Å; Y240-E244 WeakPolarHBondContact CE1-OE1 3.48Å; Y240-E244 WeakPolarHBondContact O-CG 3.48Å; Y240-E244 PolarHBondContact O-N 3.22Å; K241-E244 WeakPolarHBondContact O-CB 3.44Å; K241-E244 PolarHBondContact O-N 3.41Å; D242-E244 VanDerWaalsContact C-N 3.34Å; E244-K248 VanDerWaalsContact O-CA 3.32Å; E244-K248 WeakPolarHBondContact O-CA 3.47Å; E244-K248 WeakPolarHBondContact O-CB 3.49Å; E244-K248 PolarHBondContact O-N 3.3Å; E244-I251 HydrophobicContact CB-CD1 4.23Å; E244-I251 HydrophobicContact CG-CD1 4.26Å; E244-I251 WeakPolarHBondContact O-CD1 3.04Å
245C96.8Very high95.6Very high103 Ų10374.2 Ų74.270%0.69636%0.362SS*.Hα-helixtrans-69.6-42.6177-171.30000111.9K241 D242 A243K241-C245 PolarHBondContact O-N 3.47Å; D242-C245 PolarHBondContact O-N 3.31Å; A243-C245 VanDerWaalsContact C-N 3.28Å; A243-C245 PolarHBondContact O-N 3.01Å
246L96Very high95Very high75 Ų7575 Ų7539%0.39337%0.367SS..Hα-helixtrans-70.5-38-175.8-171.257.8000112.9D197 D242 A243D197-L246 HydrophobicContact CB-CD1 4.21Å; D197-L246 HydrophobicContact CB-CD2 3.81Å; D197-L246 HydrophobicContact CB-CG 4.07Å; D242-L246 VanDerWaalsContact O-CB 3.32Å; D242-L246 WeakPolarHBondContact O-CB 3.3Å; D242-L246 PolarHBondContact O-N 3.22Å; A243-L246 PolarHBondContact O-N 2.9Å
247F96.2Very high94.4Very high1 Ų182.1 Ų82.10%0.00440%0.395CS..THydrogen-bonded Turntrans-108.217.7-175.8-52.9-55.2000113.4L187 I194 D197 L198 A243 D249 Y250 I251L187-F247 HydrophobicContact CD1-CB 4.12Å; L187-F247 HydrophobicContact CD1-CD2 4.15Å; L187-F247 HydrophobicContact CD1-CG 4.01Å; L187-F247 HydrophobicContact CD2-CB 3.78Å; I194-F247 HydrophobicContact CB-CD1 4.17Å; I194-F247 HydrophobicContact CB-CE1 3.65Å; I194-F247 HydrophobicContact CB-CZ 4.31Å; I194-F247 HydrophobicContact CG2-CD1 3.74Å; I194-F247 HydrophobicContact CG2-CE1 3.74Å; D197-F247 HydrophobicContact CB-CE1 3.86Å; D197-F247 HydrophobicContact CB-CZ 4.23Å; L198-F247 HydrophobicContact CB-CZ 4.35Å; L198-F247 HydrophobicContact CD1-CE2 4.33Å; L198-F247 HydrophobicContact CD1-CZ 4.35Å; A243-F247 HydrophobicContact CB-CD2 4.13Å; A243-F247 HydrophobicContact CB-CE2 4.23Å; A243-F247 VanDerWaalsContact O-CD2 3.27Å; A243-F247 WeakPolarHBondContact O-CD2 3.34Å; A243-F247 PolarHBondContact O-N 2.92Å; F247-D249 PolarHBondContact O-N 2.89Å; F247-Y250 HydrophobicContact CB-CD2 4.44Å; F247-Y250 PolarHBondContact O-N 3.44Å; F247-I251 HydrophobicContact CB-CG1 4.42Å; F247-I251 WeakPolarHBondContact O-CG1 3.44Å; F247-I251 PolarHBondContact O-N 3.36Å
248K95Very high93.5Very high153 Ų15382 Ų8267%0.66540%0.403SS*.G310 helixtrans-45.3-43.8-172.5-174.2-177175.5-172.10114.1E244 Y250E244-K248 VanDerWaalsContact O-CA 3.32Å; E244-K248 WeakPolarHBondContact O-CA 3.47Å; E244-K248 WeakPolarHBondContact O-CB 3.49Å; E244-K248 PolarHBondContact O-N 3.3Å; K248-Y250 PolarHBondContact O-N 2.91Å
249D95Very high92.9Very high144 Ų14483.9 Ų83.977%0.7741%0.412SS*.G310 helixtrans-74.5-10.9-175.3-60.8-30.9000113.5F247F247-D249 PolarHBondContact O-N 2.89Å
250Y95.2Very high92.2Very high88 Ų8889.6 Ų89.635%0.34544%0.443SS..G310 helixtrans-110.7-11.9-177.4-52.1-62.5000113.6L187 T188 T189 I194 F247 K248 I252L187-Y250 CarbonylContact C-O 3.52Å; L187-Y250 VanDerWaalsContact CA-O 3.26Å; L187-Y250 WeakPolarHBondContact CA-O 3.39Å; T188-Y250 PolarHBondContact N-O 2.79Å; T188-Y250 PolarHBondContact OG1-O 2.91Å; T189-Y250 HydrophobicContact CG2-CD1 3.88Å; T189-Y250 HydrophobicContact CG2-CD2 3.95Å; T189-Y250 HydrophobicContact CG2-CE1 4.42Å; T189-Y250 HydrophobicContact CG2-CE2 4.5Å; T189-Y250 HydrophobicContact CG2-CG 3.6Å; I194-Y250 HydrophobicContact CG2-CD2 4.43Å; F247-Y250 HydrophobicContact CB-CD2 4.44Å; F247-Y250 PolarHBondContact O-N 3.44Å; K248-Y250 PolarHBondContact O-N 2.91Å; Y250-I252 PolarHBondContact O-N 3.24Å
251I95.8Very high91.3Very high58 Ų5892.2 Ų92.230%0.29746%0.455SS..BIsolated β-bridgetrans-70.1130.6-173.3-69.3162.6000110.6L185 Y186 L187 E244 F247L185-I251 HydrophobicContact CD2-CD1 4.36Å; Y186-I251 WeakPolarHBondContact O-CA 3.36Å; L187-I251 HydrophobicContact CD2-CB 4.34Å; L187-I251 HydrophobicContact CD2-CG1 3.49Å; L187-I251 VanDerWaalsContact CD2-CG1 3.49Å; E244-I251 HydrophobicContact CB-CD1 4.23Å; E244-I251 HydrophobicContact CG-CD1 4.26Å; E244-I251 WeakPolarHBondContact O-CD1 3.04Å; F247-I251 HydrophobicContact CB-CG1 4.42Å; F247-I251 WeakPolarHBondContact O-CG1 3.44Å; F247-I251 PolarHBondContact O-N 3.36Å
252I93.9Very high90.8Very high53 Ų5387.3 Ų87.327%0.27244%0.442SS..  trans-113.6138.8167.9-166.7171.8000110.2Y186 T188 Y221 Y250 Y254Y186-I252 PolarHBondContact O-N 3.42Å; T188-I252 HydrophobicContact CG2-CB 4.14Å; T188-I252 HydrophobicContact CG2-CG2 4.41Å; Y221-I252 WeakPolarHBondContact O-CD1 3.19Å; Y250-I252 PolarHBondContact O-N 3.24Å; I252-Y254 PolarHBondContact O-N 3.04Å
253Q89.4Confident90.3Very high195 Ų19589.7 Ų89.791%0.91145%0.454SS*.  trans-72.3114168.2-70-171.3-11.200109.2
254Y90.2Very high89.8Confident69 Ų6994.3 Ų94.327%0.27148%0.476SS..  trans-134.8126.9-179.7-178.5-100.1000110.3Y186 Y221 Y222 I252 P256Y186-Y254 AromaticContact CD1-CD1 3.69Å; Y186-Y254 HydrophobicContact CD1-CD1 3.69Å; Y186-Y254 HydrophobicContact CD1-CE1 4.41Å; Y186-Y254 HydrophobicContact CD1-CG 4.3Å; Y186-Y254 HydrophobicContact CD2-CD1 4.11Å; Y186-Y254 HydrophobicContact CD2-CG 4.47Å; Y186-Y254 AromaticContact CE1-CD1 3.52Å; Y186-Y254 HydrophobicContact CE1-CD1 3.52Å; Y186-Y254 AromaticContact CE1-CE1 3.99Å; Y186-Y254 HydrophobicContact CE1-CE1 3.99Å; Y186-Y254 AromaticContact CE2-CD1 3.98Å; Y186-Y254 HydrophobicContact CE2-CD1 3.98Å; Y186-Y254 AromaticContact CG-CD1 3.97Å; Y186-Y254 HydrophobicContact CG-CD1 3.97Å; Y186-Y254 HydrophobicContact CG-CG 4.26Å; Y186-Y254 AromaticContact CZ-CD1 3.69Å; Y221-Y254 AromaticContact CD2-CE2 3.85Å; Y221-Y254 HydrophobicContact CD2-CE2 3.85Å; Y221-Y254 HydrophobicContact CG-CD2 4.2Å; Y221-Y254 HydrophobicContact CG-CE2 4Å; Y222-Y254 HydrophobicContact CD1-CD1 4.01Å; Y222-Y254 HydrophobicContact CD1-CD2 4.21Å; Y222-Y254 HydrophobicContact CD1-CE1 4.1Å; Y222-Y254 HydrophobicContact CD1-CE2 4.32Å; Y222-Y254 HydrophobicContact CD1-CG 4.05Å; Y222-Y254 AromaticContact CE1-CD1 3.86Å; Y222-Y254 HydrophobicContact CE1-CD1 3.86Å; Y222-Y254 AromaticContact CE1-CE1 3.56Å; Y222-Y254 HydrophobicContact CE1-CE1 3.56Å; Y222-Y254 HydrophobicContact CE1-CE2 4.35Å; Y222-Y254 HydrophobicContact CE1-CG 4.35Å; Y222-Y254 AromaticContact CE1-CZ 3.84Å; I252-Y254 PolarHBondContact O-N 3.04Å; Y254-P256 HydrophobicContact CD1-CB 4.48Å; Y254-P256 HydrophobicContact CE1-CB 4.03Å; Y254-P256 WeakPolarHBondContact O-CD 3.5Å
255N86.4Confident89.4Confident76 Ų7694.8 Ų94.841%0.40648%0.478SS..  trans-97.6110.5171.5-177.33.6000109.3Y257N255-Y257 PolarHBondContact ND2-O 2.91Å; N255-Y257 VanDerWaalsContact ND2-O 3.17Å; N255-Y257 PolarHBondContact O-N 3.29Å; N255-Y257 PolarHBondContact OD1-N 2.89Å; N255-Y257 PolarHBondContact OD1-O 3.23Å
256P84.7Confident89Confident49 Ų4992.5 Ų92.532%0.31846%0.461SS..SBendtrans-69.2-16.8176.828.9-36000113.9Y186 Y254 P258Y186-P256 VanDerWaalsContact OH-CG 3.32Å; Y186-P256 WeakPolarHBondContact OH-CG 3.48Å; Y254-P256 HydrophobicContact CD1-CB 4.48Å; Y254-P256 HydrophobicContact CE1-CB 4.03Å; Y254-P256 WeakPolarHBondContact O-CD 3.5Å; P256-P258 VanDerWaalsContact C-CD 3.49Å; P256-P258 WeakPolarHBondContact O-CD 3.43Å
257Y84.6Confident88.8Confident150 Ų15094.2 Ų94.259%0.58846%0.463SS*.  trans-12769.7-178.4-50.7-71000110.4N255 I259 D260N255-Y257 PolarHBondContact ND2-O 2.91Å; N255-Y257 VanDerWaalsContact ND2-O 3.17Å; N255-Y257 PolarHBondContact O-N 3.29Å; N255-Y257 PolarHBondContact OD1-N 2.89Å; N255-Y257 PolarHBondContact OD1-O 3.23Å; Y257-I259 PolarHBondContact O-N 3.49Å; Y257-D260 WeakPolarHBondContact CB-OD2 3.32Å
258P81.1Confident88.5Confident83 Ų8398.6 Ų98.654%0.53948%0.482SS..SBendtrans-66.9-25.2-175.827-34.6000113.2P256 A262P256-P258 VanDerWaalsContact C-CD 3.49Å; P256-P258 WeakPolarHBondContact O-CD 3.43Å; P258-A262 PolarHBondContact O-N 2.97Å
259I84.1Confident88.3Confident139 Ų13993.7 Ų93.771%0.71346%0.463SS*.SBendtrans-77.1-39.6-177.8-60.4176.6000111.2Y257 K261 A262Y257-I259 PolarHBondContact O-N 3.49Å; I259-K261 PolarHBondContact O-N 2.75Å; I259-A262 WeakPolarHBondContact O-CB 3.26Å; I259-A262 PolarHBondContact O-N 3.21Å
260D83.2Confident88Confident121 Ų12187.8 Ų87.865%0.64743%0.433SS*.THydrogen-bonded Turntrans-59.2-21.5-174.2-65.46.8000113.9Y257Y257-D260 WeakPolarHBondContact CB-OD2 3.32Å
261K80.7Confident87.8Confident109 Ų10991.5 Ų91.547%0.47445%0.451SS..THydrogen-bonded Turntrans-124.413.5177.8-59.6-171.5175.9-172.80112.9I259 D263 E264 E265I259-K261 PolarHBondContact O-N 2.75Å; K261-D263 PolarHBondContact O-N 3.32Å; K261-E264 PolarHBondContact O-N 3.23Å; K261-E265 HydrophobicContact CB-CG 4.48Å; K261-E265 WeakPolarHBondContact O-CB 3.48Å; K261-E265 WeakPolarHBondContact O-CG 3.25Å; K261-E265 PolarHBondContact O-N 3.23Å
262A85.6Confident87.5Confident41 Ų4193.4 Ų93.434%0.33946%0.458SS..Hα-helixtrans-60.7-38.4-173.200000111.6P258 I259 E265 V266P258-A262 PolarHBondContact O-N 2.97Å; I259-A262 WeakPolarHBondContact O-CB 3.26Å; I259-A262 PolarHBondContact O-N 3.21Å; A262-E265 PolarHBondContact O-N 3.31Å; A262-V266 WeakPolarHBondContact O-CB 3.15Å; A262-V266 WeakPolarHBondContact O-CG2 3.36Å; A262-V266 PolarHBondContact O-N 2.88Å
263D87.3Confident87.2Confident98 Ų9895.6 Ų95.652%0.52447%0.474SS..Hα-helixtrans-60.3-53.6173.862.1-31.2000111.6K261 E265 V266 Y267K261-D263 PolarHBondContact O-N 3.32Å; D263-E265 VanDerWaalsContact C-N 3.29Å; D263-E265 PolarHBondContact O-N 2.9Å; D263-V266 PolarHBondContact O-N 2.93Å; D263-Y267 VanDerWaalsContact O-CD2 3.25Å; D263-Y267 WeakPolarHBondContact O-CD2 3.33Å; D263-Y267 PolarHBondContact O-N 3.48Å
264E87.5Confident87.3Confident98 Ų9895.1 Ų95.146%0.45847%0.472SS..Hα-helixtrans-56.5-43.6177.5-67.9-174.8-175.800111.8K261 Y267 K268K261-E264 PolarHBondContact O-N 3.23Å; E264-Y267 PolarHBondContact O-N 2.96Å; E264-K268 WeakPolarHBondContact O-CB 3.36Å; E264-K268 VanDerWaalsContact O-CG 3.26Å; E264-K268 WeakPolarHBondContact O-CG 3.44Å; E264-K268 PolarHBondContact O-N 3.39Å
265E88.2Confident87.5Confident87 Ų8793.6 Ų93.641%0.40747%0.471SS..Hα-helixtrans-68.9-38.8-179.7-68.3-55.2131.900112.4K261 A262 D263 K268 L269K261-E265 HydrophobicContact CB-CG 4.48Å; K261-E265 WeakPolarHBondContact O-CB 3.48Å; K261-E265 WeakPolarHBondContact O-CG 3.25Å; K261-E265 PolarHBondContact O-N 3.23Å; A262-E265 PolarHBondContact O-N 3.31Å; D263-E265 VanDerWaalsContact C-N 3.29Å; D263-E265 PolarHBondContact O-N 2.9Å; E265-K268 PolarHBondContact O-N 3.16Å; E265-K268 IonicContact OE1-NZ 3.86Å; E265-K268 PolarHBondContact OE1-NZ 2.7Å; E265-L269 WeakPolarHBondContact O-CG 3.49Å; E265-L269 PolarHBondContact O-N 2.88Å
266V90.1Very high87.8Confident56 Ų5696.1 Ų96.134%0.33949%0.485SS..Hα-helixtrans-62.9-45.5173.5168.10000110.6A262 D263 K268 L269 C270 V281 L285A262-V266 WeakPolarHBondContact O-CB 3.15Å; A262-V266 WeakPolarHBondContact O-CG2 3.36Å; A262-V266 PolarHBondContact O-N 2.88Å; D263-V266 PolarHBondContact O-N 2.93Å; V266-K268 VanDerWaalsContact C-N 3.33Å; V266-K268 PolarHBondContact O-N 3.14Å; V266-L269 WeakPolarHBondContact O-CB 3.3Å; V266-L269 PolarHBondContact O-N 3.44Å; V266-C270 PolarHBondContact O-N 3.37Å; V266-C270 PolarHBondContact O-SG 3.24Å; V266-C270 VanDerWaalsContact O-SG 3.36Å; V266-V281 HydrophobicContact CG1-CG1 3.88Å; V266-L285 HydrophobicContact CG1-CD1 3.71Å
267Y90.5Very high88.2Confident110 Ų11098.5 Ų98.543%0.43149%0.494SS..Hα-helixtrans-66.3-32.9175.9-82.2-75.3000112.7D263 E264 C270 K271 L285 E289D263-Y267 VanDerWaalsContact O-CD2 3.25Å; D263-Y267 WeakPolarHBondContact O-CD2 3.33Å; D263-Y267 PolarHBondContact O-N 3.48Å; E264-Y267 PolarHBondContact O-N 2.96Å; Y267-C270 WeakPolarHBondContact O-CB 3.26Å; Y267-C270 PolarHBondContact O-N 3.44Å; Y267-K271 WeakPolarHBondContact O-CG 3.43Å; Y267-K271 PolarHBondContact O-N 3.18Å; Y267-L285 HydrophobicContact CD1-CD1 4.34Å; Y267-L285 HydrophobicContact CD1-CD2 4.09Å; Y267-L285 HydrophobicContact CE1-CD1 3.99Å; Y267-L285 HydrophobicContact CE1-CD2 3.38Å; Y267-L285 HydrophobicContact CE1-CG 4.29Å; Y267-L285 HydrophobicContact CE2-CD1 4.33Å; Y267-E289 PolarHBondContact OH-OE1 3.11Å
268K90.8Very high88.6Confident93 Ų9391.3 Ų91.340%0.40447%0.466SS..Hα-helixtrans-63.9-42170.5-75.7170.8-163.8166.80111.5E264 E265 V266 C270 K271E264-K268 WeakPolarHBondContact O-CB 3.36Å; E264-K268 VanDerWaalsContact O-CG 3.26Å; E264-K268 WeakPolarHBondContact O-CG 3.44Å; E264-K268 PolarHBondContact O-N 3.39Å; E265-K268 PolarHBondContact O-N 3.16Å; E265-K268 IonicContact OE1-NZ 3.86Å; E265-K268 PolarHBondContact OE1-NZ 2.7Å; V266-K268 VanDerWaalsContact C-N 3.33Å; V266-K268 PolarHBondContact O-N 3.14Å; K268-C270 VanDerWaalsContact C-N 3.34Å; K268-C270 PolarHBondContact O-N 2.92Å; K268-K271 WeakPolarHBondContact O-CB 3.39Å; K268-K271 PolarHBondContact O-N 3.41Å; K268-K271 VanDerWaalsContact O-N 3.14Å
269L90.3Very high89.2Confident51 Ų5192.6 Ų92.627%0.26746%0.463SS..Hα-helixtrans-61.7-39.9175.1-75.8166.4000112E265 V266 K271 Q272 L277 G278 V281E265-L269 WeakPolarHBondContact O-CG 3.49Å; E265-L269 PolarHBondContact O-N 2.88Å; V266-L269 WeakPolarHBondContact O-CB 3.3Å; V266-L269 PolarHBondContact O-N 3.44Å; L269-K271 PolarHBondContact O-N 3.29Å; L269-Q272 WeakPolarHBondContact O-CB 3.42Å; L269-Q272 PolarHBondContact O-N 3.36Å; L269-L277 HydrophobicContact CD2-CD2 4.41Å; L269-G278 WeakPolarHBondContact O-CA 3.2Å; L269-V281 HydrophobicContact CB-CG1 4.42Å
270C89.6Confident89.7Confident20 Ų2094.5 Ų94.514%0.13546%0.461CS..Hα-helixtrans-56.4-34.4174.2-66.90000112.8V266 Y267 K268 Q272 A282V266-C270 PolarHBondContact O-N 3.37Å; V266-C270 PolarHBondContact O-SG 3.24Å; V266-C270 VanDerWaalsContact O-SG 3.36Å; Y267-C270 WeakPolarHBondContact O-CB 3.26Å; Y267-C270 PolarHBondContact O-N 3.44Å; K268-C270 VanDerWaalsContact C-N 3.34Å; K268-C270 PolarHBondContact O-N 2.92Å; C270-Q272 VanDerWaalsContact C-N 3.26Å; C270-Q272 PolarHBondContact O-N 3.02Å; C270-A282 HydrophobicContact CB-CB 4.08Å
271K89.9Confident90.2Very high166 Ų16690.2 Ų90.272%0.72244%0.439SS*.THydrogen-bonded Turntrans-75.6-12.9179.1-65.2174.7-176.1178.40113.1Y267 K268 L269 T273Y267-K271 WeakPolarHBondContact O-CG 3.43Å; Y267-K271 PolarHBondContact O-N 3.18Å; K268-K271 WeakPolarHBondContact O-CB 3.39Å; K268-K271 PolarHBondContact O-N 3.41Å; K268-K271 VanDerWaalsContact O-N 3.14Å; L269-K271 PolarHBondContact O-N 3.29Å; K271-T273 PolarHBondContact O-N 2.88Å
272Q90.8Very high90.8Very high98 Ų9886.7 Ų86.746%0.45843%0.431SS..  trans-80.266.9175.9-61.4-179.61.800110.8L269 C270 E274 S275L269-Q272 WeakPolarHBondContact O-CB 3.42Å; L269-Q272 PolarHBondContact O-N 3.36Å; C270-Q272 VanDerWaalsContact C-N 3.26Å; C270-Q272 PolarHBondContact O-N 3.02Å; Q272-E274 PolarHBondContact O-N 2.81Å; Q272-E274 VanDerWaalsContact O-N 3.14Å; Q272-S275 PolarHBondContact O-N 3.34Å; Q272-S275 PolarHBondContact O-OG 2.86Å
273T87.5Confident91.2Very high99 Ų9992 Ų9261%0.60745%0.446SS*.THydrogen-bonded Turntrans-63.8-17.8-174.855.20000113.9K271 K279K271-T273 PolarHBondContact O-N 2.88Å; T273-K279 WeakPolarHBondContact O-CE 3.33Å
274E91.2Very high91.6Very high185 Ų18590.7 Ų90.786%0.86445%0.445SS*.THydrogen-bonded Turntrans-80.8-26.6174.9-60.1-170.9174.500112.5Q272Q272-E274 PolarHBondContact O-N 2.81Å; Q272-E274 VanDerWaalsContact O-N 3.14Å
275S92.8Very high91.9Very high36 Ų3687.3 Ų87.325%0.25243%0.43SS..SBendtrans-83.5139.7-177.579.60000111.8Q272 L277 G278 K279Q272-S275 PolarHBondContact O-N 3.34Å; Q272-S275 PolarHBondContact O-OG 2.86Å; S275-L277 PolarHBondContact O-N 2.85Å; S275-G278 PolarHBondContact O-N 3.35Å; S275-G278 WeakPolarHBondContact OG-CA 3.32Å; S275-G278 PolarHBondContact OG-N 3.47Å; S275-K279 WeakPolarHBondContact O-CG 3.44Å; S275-K279 PolarHBondContact O-N 3.02Å; S275-K279 VanDerWaalsContact O-N 3.08Å
276N93.2Very high92.1Very high130 Ų13088.1 Ų88.170%0.69543%0.433SS*.Hα-helixtrans-65.2-33.4177.9-140.92000111.5R280N276-R280 VanDerWaalsContact O-CG 3.32Å; N276-R280 WeakPolarHBondContact O-CG 3.44Å; N276-R280 PolarHBondContact O-N 3.43Å
277L92.7Very high92.3Very high98 Ų9889.3 Ų89.351%0.51344%0.443SS..Hα-helixtrans-65-51.6173.3-179.160.9000111.1L269 S275 K279 R280 V281L269-L277 HydrophobicContact CD2-CD2 4.41Å; S275-L277 PolarHBondContact O-N 2.85Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.24Å; L277-R280 WeakPolarHBondContact O-CB 3.24Å; L277-R280 PolarHBondContact O-N 3.14Å; L277-V281 HydrophobicContact CD1-CG2 4.02Å; L277-V281 HydrophobicContact CG-CG2 4.2Å; L277-V281 WeakPolarHBondContact O-CG2 3.42Å; L277-V281 PolarHBondContact O-N 2.95Å
278G93.6Very high92.5Very high0 Ų089 Ų890%045%0.448CS..Hα-helixtrans-57.8-42.6-179.800000113.1L269 S275 R280 V281 A282L269-G278 WeakPolarHBondContact O-CA 3.2Å; S275-G278 PolarHBondContact O-N 3.35Å; S275-G278 WeakPolarHBondContact OG-CA 3.32Å; S275-G278 PolarHBondContact OG-N 3.47Å; G278-R280 VanDerWaalsContact C-N 3.33Å; G278-R280 PolarHBondContact O-N 3.36Å; G278-V281 PolarHBondContact O-N 3.09Å; G278-A282 WeakPolarHBondContact O-CB 3.42Å; G278-A282 PolarHBondContact O-N 3.28Å
279K93.7Very high92.6Very high110 Ų11088.1 Ų88.148%0.47845%0.445SS..Hα-helixtrans-58.9-41.5173-69.6178.8-171.1178.60112.9T273 S275 L277 K283T273-K279 WeakPolarHBondContact O-CE 3.33Å; S275-K279 WeakPolarHBondContact O-CG 3.44Å; S275-K279 PolarHBondContact O-N 3.02Å; S275-K279 VanDerWaalsContact O-N 3.08Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.24Å; K279-K283 WeakPolarHBondContact O-CG 3.32Å; K279-K283 PolarHBondContact O-N 2.91Å
280R94.9Very high92.8Very high178 Ų17890.8 Ų90.867%0.67246%0.457SS*.Hα-helixtrans-68.2-46.5178.2-73172.363.1-168.8-1.3111N276 L277 G278 A282 K283 S284N276-R280 VanDerWaalsContact O-CG 3.32Å; N276-R280 WeakPolarHBondContact O-CG 3.44Å; N276-R280 PolarHBondContact O-N 3.43Å; L277-R280 WeakPolarHBondContact O-CB 3.24Å; L277-R280 PolarHBondContact O-N 3.14Å; G278-R280 VanDerWaalsContact C-N 3.33Å; G278-R280 PolarHBondContact O-N 3.36Å; R280-A282 VanDerWaalsContact C-N 3.34Å; R280-A282 PolarHBondContact O-N 2.9Å; R280-K283 PolarHBondContact O-N 3.17Å; R280-S284 PolarHBondContact O-N 3.31Å; R280-S284 PolarHBondContact O-OG 3.16Å
281V94.3Very high93Very high31 Ų3191.9 Ų91.919%0.18847%0.467CS..Hα-helixtrans-60.3-44.7177.9179.90000110.3V266 L269 L277 G278 K283 S284 L285V266-V281 HydrophobicContact CG1-CG1 3.88Å; L269-V281 HydrophobicContact CB-CG1 4.42Å; L277-V281 HydrophobicContact CD1-CG2 4.02Å; L277-V281 HydrophobicContact CG-CG2 4.2Å; L277-V281 WeakPolarHBondContact O-CG2 3.42Å; L277-V281 PolarHBondContact O-N 2.95Å; G278-V281 PolarHBondContact O-N 3.09Å; V281-K283 PolarHBondContact O-N 3.42Å; V281-S284 PolarHBondContact O-N 3.08Å; V281-L285 WeakPolarHBondContact O-CB 3.31Å; V281-L285 PolarHBondContact O-N 3.05Å
282A93.5Very high93.2Very high35 Ų3589.5 Ų89.529%0.28946%0.461SS..Hα-helixtrans-58.3-46.7176.900000112.8C270 G278 R280 L285 Q286C270-A282 HydrophobicContact CB-CB 4.08Å; G278-A282 WeakPolarHBondContact O-CB 3.42Å; G278-A282 PolarHBondContact O-N 3.28Å; R280-A282 VanDerWaalsContact C-N 3.34Å; R280-A282 PolarHBondContact O-N 2.9Å; A282-L285 PolarHBondContact O-N 3.31Å; A282-Q286 WeakPolarHBondContact O-CB 3.42Å; A282-Q286 PolarHBondContact O-N 3.48Å
283K94.2Very high93.4Very high152 Ų15290.8 Ų90.866%0.66147%0.471SS*.Hα-helixtrans-64.8-41.1176.7-73.2-177.9178.2-172.90112.5K279 R280 V281 L285 C287K279-K283 WeakPolarHBondContact O-CG 3.32Å; K279-K283 PolarHBondContact O-N 2.91Å; R280-K283 PolarHBondContact O-N 3.17Å; V281-K283 PolarHBondContact O-N 3.42Å; K283-L285 VanDerWaalsContact C-N 3.34Å; K283-C287 PolarHBondContact O-N 3.11Å; K283-C287 VanDerWaalsContact O-N 3.09Å
284S94.4Very high93.6Very high71 Ų7193.2 Ų93.250%0.49747%0.474SS..Hα-helixtrans-63.2-42.4176.4-67.30000111.6R280 V281 C287 I288R280-S284 PolarHBondContact O-N 3.31Å; R280-S284 PolarHBondContact O-OG 3.16Å; V281-S284 PolarHBondContact O-N 3.08Å; S284-C287 WeakPolarHBondContact O-CB 3.49Å; S284-C287 PolarHBondContact O-N 3.22Å; S284-I288 WeakPolarHBondContact O-CG1 3.47Å; S284-I288 PolarHBondContact O-N 3.4Å; S284-I288 VanDerWaalsContact O-N 3.08Å
285L93.1Very high93.6Very high27 Ų2793 Ų9314%0.14147%0.466CS..Hα-helixtrans-67.3-42.6179.6-167.2127.7000111.6V266 Y267 V281 A282 K283 C287 I288 E289V266-L285 HydrophobicContact CG1-CD1 3.71Å; Y267-L285 HydrophobicContact CD1-CD1 4.34Å; Y267-L285 HydrophobicContact CD1-CD2 4.09Å; Y267-L285 HydrophobicContact CE1-CD1 3.99Å; Y267-L285 HydrophobicContact CE1-CD2 3.38Å; Y267-L285 HydrophobicContact CE1-CG 4.29Å; Y267-L285 HydrophobicContact CE2-CD1 4.33Å; V281-L285 WeakPolarHBondContact O-CB 3.31Å; V281-L285 PolarHBondContact O-N 3.05Å; A282-L285 PolarHBondContact O-N 3.31Å; K283-L285 VanDerWaalsContact C-N 3.34Å; L285-C287 VanDerWaalsContact C-N 3.3Å; L285-C287 PolarHBondContact O-N 3.49Å; L285-I288 PolarHBondContact O-N 2.93Å; L285-I288 VanDerWaalsContact O-N 3.14Å; L285-E289 HydrophobicContact CD2-CG 4.32Å; L285-E289 VanDerWaalsContact CD2-OE1 3.24Å; L285-E289 WeakPolarHBondContact CD2-OE1 3.46Å; L285-E289 WeakPolarHBondContact O-CG 3.42Å; L285-E289 PolarHBondContact O-N 3Å
286Q93.7Very high92.6Very high104 Ų104104.5 Ų104.549%0.48650%0.504SS..Hα-helixtrans-54.5-46.2171-179.3-175.3-4.700111.6A282 I288 E289 E290A282-Q286 WeakPolarHBondContact O-CB 3.42Å; A282-Q286 PolarHBondContact O-N 3.48Å; Q286-I288 VanDerWaalsContact C-N 3.33Å; Q286-I288 PolarHBondContact O-N 3.37Å; Q286-E289 PolarHBondContact O-N 3.44Å; Q286-E290 HydrophobicContact CG-CG 4.43Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.45Å; Q286-E290 PolarHBondContact NE2-OE1 3.42Å; Q286-E290 WeakPolarHBondContact O-CB 3.37Å; Q286-E290 VanDerWaalsContact O-CG 3.31Å; Q286-E290 WeakPolarHBondContact O-CG 3.1Å; Q286-E290 PolarHBondContact O-N 3.48Å
287C94.8Very high92.5Very high81 Ų81103.2 Ų103.255%0.54749%0.494SS..Hα-helixtrans-61.5-40.2178.3-179.10000112.5K283 S284 L285 A291K283-C287 PolarHBondContact O-N 3.11Å; K283-C287 VanDerWaalsContact O-N 3.09Å; S284-C287 WeakPolarHBondContact O-CB 3.49Å; S284-C287 PolarHBondContact O-N 3.22Å; L285-C287 VanDerWaalsContact C-N 3.3Å; L285-C287 PolarHBondContact O-N 3.49Å; C287-A291 WeakPolarHBondContact O-CB 3.47Å; C287-A291 PolarHBondContact O-N 3.14Å
288I93.2Very high92.5Very high103 Ų103103.5 Ų103.553%0.52849%0.493SS..Hα-helixtrans-66.2-45.4176.6-66.6165.5000110.6S284 L285 Q286 A291 L292S284-I288 WeakPolarHBondContact O-CG1 3.47Å; S284-I288 PolarHBondContact O-N 3.4Å; S284-I288 VanDerWaalsContact O-N 3.08Å; L285-I288 PolarHBondContact O-N 2.93Å; L285-I288 VanDerWaalsContact O-N 3.14Å; Q286-I288 VanDerWaalsContact C-N 3.33Å; Q286-I288 PolarHBondContact O-N 3.37Å; I288-A291 PolarHBondContact O-N 2.85Å; I288-L292 HydrophobicContact CG2-CD1 4.01Å; I288-L292 HydrophobicContact CG2-CG 4.39Å; I288-L292 WeakPolarHBondContact O-CG 2.74Å; I288-L292 PolarHBondContact O-N 3.38Å
289E92.9Very high92.5Very high75 Ų75109.2 Ų109.235%0.3552%0.521SS..Hα-helixtrans-64.2-41.5179.2-71.5178.2164.800111.9Y267 L285 Q286 A291 L292 N293Y267-E289 PolarHBondContact OH-OE1 3.11Å; L285-E289 HydrophobicContact CD2-CG 4.32Å; L285-E289 VanDerWaalsContact CD2-OE1 3.24Å; L285-E289 WeakPolarHBondContact CD2-OE1 3.46Å; L285-E289 WeakPolarHBondContact O-CG 3.42Å; L285-E289 PolarHBondContact O-N 3Å; Q286-E289 PolarHBondContact O-N 3.44Å; E289-A291 VanDerWaalsContact C-N 3.34Å; E289-A291 PolarHBondContact O-N 3.02Å; E289-L292 PolarHBondContact O-N 2.95Å; E289-N293 WeakPolarHBondContact O-CB 3.33Å; E289-N293 VanDerWaalsContact O-CG 3.26Å; E289-N293 PolarHBondContact O-N 2.95Å; E289-N293 PolarHBondContact O-ND2 2.82Å; E289-N293 VanDerWaalsContact O-ND2 3.17Å
290E95.2Very high92.4Very high108 Ų108109.2 Ų109.251%0.50552%0.523SS..Hα-helixtrans-60.8-41.9173.1-74.8173.1-172.700111.8Q286 N293 K294Q286-E290 HydrophobicContact CG-CG 4.43Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.45Å; Q286-E290 PolarHBondContact NE2-OE1 3.42Å; Q286-E290 WeakPolarHBondContact O-CB 3.37Å; Q286-E290 VanDerWaalsContact O-CG 3.31Å; Q286-E290 WeakPolarHBondContact O-CG 3.1Å; Q286-E290 PolarHBondContact O-N 3.48Å; E290-N293 PolarHBondContact O-N 3.08Å; E290-K294 WeakPolarHBondContact O-CB 3.34Å; E290-K294 PolarHBondContact O-N 3.31Å; E290-K294 VanDerWaalsContact O-N 3.11Å
291A94.7Very high92.2Very high43 Ų43104.9 Ų104.936%0.35551%0.514SS..Hα-helixtrans-65-46.6175.900000111.8C287 I288 E289 N293 K294 Y295C287-A291 WeakPolarHBondContact O-CB 3.47Å; C287-A291 PolarHBondContact O-N 3.14Å; I288-A291 PolarHBondContact O-N 2.85Å; E289-A291 VanDerWaalsContact C-N 3.34Å; E289-A291 PolarHBondContact O-N 3.02Å; A291-N293 VanDerWaalsContact C-N 3.32Å; A291-N293 PolarHBondContact O-N 3.4Å; A291-K294 PolarHBondContact O-N 3.14Å; A291-K294 VanDerWaalsContact O-N 3.14Å; A291-Y295 WeakPolarHBondContact O-CD2 3.44Å; A291-Y295 PolarHBondContact O-N 2.93Å; A291-Y295 VanDerWaalsContact O-N 3.11Å
292L93.7Very high92.1Very high115 Ų115109.8 Ų109.860%0.60254%0.536SS*.Hα-helixtrans-59.8-42.4177.3-72.9172.4000111.5I288 E289 K294 R296I288-L292 HydrophobicContact CG2-CD1 4.01Å; I288-L292 HydrophobicContact CG2-CG 4.39Å; I288-L292 WeakPolarHBondContact O-CG 2.74Å; I288-L292 PolarHBondContact O-N 3.38Å; E289-L292 PolarHBondContact O-N 2.95Å; L292-K294 VanDerWaalsContact C-N 3.28Å; L292-K294 PolarHBondContact O-N 3.27Å; L292-R296 VanDerWaalsContact O-CB 3.3Å; L292-R296 WeakPolarHBondContact O-CB 3.35Å; L292-R296 PolarHBondContact O-N 3.2Å; L292-R296 VanDerWaalsContact O-N 3.16Å
293N93.9Very high92Very high125 Ų125115.1 Ų115.167%0.66855%0.553SS**Hα-helixtrans-65.9-29.9177.2-73.4-30.7000113.3E289 E290 A291E289-N293 WeakPolarHBondContact O-CB 3.33Å; E289-N293 VanDerWaalsContact O-CG 3.26Å; E289-N293 PolarHBondContact O-N 2.95Å; E289-N293 PolarHBondContact O-ND2 2.82Å; E289-N293 VanDerWaalsContact O-ND2 3.17Å; E290-N293 PolarHBondContact O-N 3.08Å; A291-N293 VanDerWaalsContact C-N 3.32Å; A291-N293 PolarHBondContact O-N 3.4Å
294K93.1Very high91.8Very high151 Ų151112.3 Ų112.366%0.65755%0.545SS*.Hα-helixtrans-79.5-32-179.2-176.1177.3177.9-1760113.6E290 A291 L292E290-K294 WeakPolarHBondContact O-CB 3.34Å; E290-K294 PolarHBondContact O-N 3.31Å; E290-K294 VanDerWaalsContact O-N 3.11Å; A291-K294 PolarHBondContact O-N 3.14Å; A291-K294 VanDerWaalsContact O-N 3.14Å; L292-K294 VanDerWaalsContact C-N 3.28Å; L292-K294 PolarHBondContact O-N 3.27Å
295Y91.1Very high91.6Very high180 Ų180115.8 Ų115.871%0.70655%0.549SS*.Hα-helixtrans-112.18.3-172.2-63.1-71.2000114.4A291A291-Y295 WeakPolarHBondContact O-CD2 3.44Å; A291-Y295 PolarHBondContact O-N 2.93Å; A291-Y295 VanDerWaalsContact O-N 3.11Å
296R70.3Confident91.5Very high277 Ų277123.8 Ų123.8100%1.04559%0.586SS**  trans-75.20172.6-170177.4-171.1-178.42.8111.5L292L292-R296 VanDerWaalsContact O-CB 3.3Å; L292-R296 WeakPolarHBondContact O-CB 3.35Å; L292-R296 PolarHBondContact O-N 3.2Å; L292-R296 VanDerWaalsContact O-N 3.16Å

Retrieved 296 of 296 residues in 126.1 ms (Link to these results)

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