A0A077Z583_TRITR Loading...

Serine protease inhibitor family protein

AlphaFold DB , UniProt , Accession A0A077Z583, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 376 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
1M60.1Low86.9Confident90 Ų9024.9 Ų24.944%0.44314%0.139SC..  0137.30-166176.1-62.100107.3I5 S6 E57M1-I5 HydrophobicContact CE-CG2 4.46Å; M1-I5 HydrophobicContact CG-CB 3.66Å; M1-I5 HydrophobicContact CG-CG2 3.64Å; M1-I5 HydrophobicContact SD-CB 4.05Å; M1-I5 HydrophobicContact SD-CG2 3.49Å; M1-I5 WeakPolarHBondContact SD-CG2 3.3Å; M1-S6 WeakPolarHBondContact CG-OG 3.44Å; M1-S6 PolarHBondContact SD-OG 3.35Å; M1-S6 VanDerWaalsContact SD-OG 3.38Å; M1-E57 HydrophobicContact CE-CB 4.4Å
2S79.6Confident87.7Confident57 Ų5722.8 Ų22.840%0.39913%0.127SC..  trans-75.2159.1175.545.70000110.9D4 I5 S6S2-D4 VanDerWaalsContact C-N 3.27Å; S2-D4 WeakPolarHBondContact CB-OD1 3.47Å; S2-D4 PolarHBondContact O-N 3.08Å; S2-D4 PolarHBondContact OG-OD1 3.47Å; S2-I5 PolarHBondContact O-N 3.19Å; S2-S6 PolarHBondContact O-N 2.66Å; S2-S6 PolarHBondContact O-OG 3.09Å
3L80.5Confident88.3Confident24 Ų2423.9 Ų23.913%0.12613%0.128CC..Hα-helixtrans-59.1-37.8-176-178.868000112.6S6 S7 M33 L68 L69 A72 V363L3-S6 PolarHBondContact O-N 3.31Å; L3-S7 WeakPolarHBondContact O-CB 3.39Å; L3-S7 PolarHBondContact O-N 3.31Å; L3-S7 PolarHBondContact O-OG 2.92Å; L3-M33 HydrophobicContact CD1-CE 4.43Å; L3-L68 HydrophobicContact CB-CD1 4.39Å; L3-L68 HydrophobicContact CB-CD2 4.35Å; L3-L68 HydrophobicContact CD1-CB 4.32Å; L3-L68 HydrophobicContact CD2-CB 4.1Å; L3-L68 HydrophobicContact CD2-CD2 4.45Å; L3-L69 HydrophobicContact CD1-CD2 4.26Å; L3-A72 HydrophobicContact CD2-CB 4.15Å; L3-V363 HydrophobicContact CD2-CG1 4.3Å
4D87.1Confident88.7Confident27 Ų2722.2 Ų22.214%0.14412%0.119CC..Hα-helixtrans-60.2-48.8178.260.5-21000111.8S2 S7 T8 L249 R362S2-D4 VanDerWaalsContact C-N 3.27Å; S2-D4 WeakPolarHBondContact CB-OD1 3.47Å; S2-D4 PolarHBondContact O-N 3.08Å; S2-D4 PolarHBondContact OG-OD1 3.47Å; D4-S7 PolarHBondContact O-OG 3.44Å; D4-T8 WeakPolarHBondContact O-CB 3.46Å; D4-T8 PolarHBondContact O-N 3.01Å; D4-T8 PolarHBondContact O-OG1 2.97Å; D4-L249 HydrophobicContact CB-CD1 4.24Å; D4-R362 HydrophobicContact CB-CB 3.62Å; D4-R362 WeakPolarHBondContact CB-O 3.26Å; D4-R362 IonicContact OD2-NE 2.85Å; D4-R362 PolarHBondContact OD2-NE 3.06Å
5I89.9Confident89.1Confident37 Ų3721.6 Ų21.619%0.1911%0.114CC..Hα-helixtrans-67.7-46.8177.5-57.4175.4000110.2M1 S2 S7 T8 D9 A245 K246 L249M1-I5 HydrophobicContact CE-CG2 4.46Å; M1-I5 HydrophobicContact CG-CB 3.66Å; M1-I5 HydrophobicContact CG-CG2 3.64Å; M1-I5 HydrophobicContact SD-CB 4.05Å; M1-I5 HydrophobicContact SD-CG2 3.49Å; M1-I5 WeakPolarHBondContact SD-CG2 3.3Å; S2-I5 PolarHBondContact O-N 3.19Å; I5-S7 PolarHBondContact O-N 3.21Å; I5-T8 PolarHBondContact O-N 3Å; I5-D9 WeakPolarHBondContact O-CB 3.35Å; I5-D9 PolarHBondContact O-N 3.3Å; I5-A245 HydrophobicContact CG2-CB 3.93Å; I5-A245 WeakPolarHBondContact O-CB 3.37Å; I5-K246 HydrophobicContact CD1-CG 4.46Å; I5-K246 HydrophobicContact CG2-CG 4.42Å; I5-L249 HydrophobicContact CG1-CD1 4.09Å
6S89.1Confident89.5Confident3 Ų326.6 Ų26.62%0.02113%0.131CC..Hα-helixtrans-62-43.3-179.4-700000112.5M1 S2 L3 F10 F56M1-S6 WeakPolarHBondContact CG-OG 3.44Å; M1-S6 PolarHBondContact SD-OG 3.35Å; M1-S6 VanDerWaalsContact SD-OG 3.38Å; S2-S6 PolarHBondContact O-N 2.66Å; S2-S6 PolarHBondContact O-OG 3.09Å; L3-S6 PolarHBondContact O-N 3.31Å; S6-F10 WeakPolarHBondContact O-CB 3.14Å; S6-F10 PolarHBondContact O-N 2.65Å; S6-F56 VanDerWaalsContact CB-O 3.29Å; S6-F56 WeakPolarHBondContact CB-O 3.37Å; S6-F56 PolarHBondContact OG-O 2.99Å
7S91.3Very high89.8Confident5 Ų529.2 Ų29.24%0.03514%0.143CC..Hα-helixtrans-70.6-38.8179.463.10000112.2L3 D4 I5 F10 A11L3-S7 WeakPolarHBondContact O-CB 3.39Å; L3-S7 PolarHBondContact O-N 3.31Å; L3-S7 PolarHBondContact O-OG 2.92Å; D4-S7 PolarHBondContact O-OG 3.44Å; I5-S7 PolarHBondContact O-N 3.21Å; S7-F10 PolarHBondContact O-N 3.45Å; S7-A11 WeakPolarHBondContact O-CB 3.25Å; S7-A11 PolarHBondContact O-N 3.07Å
8T94.4Very high90Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-70.2-35.8175.9-55.50000111.5D4 I5 A11 L12 A245 L248 L249 V364D4-T8 WeakPolarHBondContact O-CB 3.46Å; D4-T8 PolarHBondContact O-N 3.01Å; D4-T8 PolarHBondContact O-OG1 2.97Å; I5-T8 PolarHBondContact O-N 3Å; T8-A11 WeakPolarHBondContact O-CB 3.28Å; T8-A11 PolarHBondContact O-N 3.25Å; T8-L12 WeakPolarHBondContact O-CG 3.48Å; T8-L12 PolarHBondContact O-N 2.98Å; T8-A245 HydrophobicContact CG2-CB 3.98Å; T8-L248 HydrophobicContact CG2-CD2 3.91Å; T8-L249 HydrophobicContact CG2-CD2 4.34Å; T8-L249 HydrophobicContact CG2-CG 4.21Å; T8-V364 HydrophobicContact CG2-CG2 4.13Å
9D94.6Very high90.1Very high30 Ų3028.1 Ų28.116%0.1614%0.144CC..Hα-helixtrans-65.8-47.2174.3176.776.5000111.1I5 A11 L12 R13 A245I5-D9 WeakPolarHBondContact O-CB 3.35Å; I5-D9 PolarHBondContact O-N 3.3Å; D9-A11 VanDerWaalsContact C-N 3.27Å; D9-A11 PolarHBondContact O-N 3.28Å; D9-L12 PolarHBondContact O-N 3.43Å; D9-R13 PolarHBondContact O-N 2.89Å; D9-R13 IonicContact OD2-CZ 3.25Å; D9-R13 VanDerWaalsContact OD2-CZ 3.23Å; D9-R13 IonicContact OD2-NE 2.77Å; D9-R13 PolarHBondContact OD2-NE 3.27Å; D9-R13 IonicContact OD2-NH2 3.62Å; D9-R13 PolarHBondContact OD2-NH2 3.21Å; D9-R13 VanDerWaalsContact OD2-NH2 3.14Å; D9-A245 HydrophobicContact CB-CB 3.85Å
10F94.4Very high90Very high0 Ų028.5 Ų28.50%015%0.152CC..Hα-helixtrans-56.1-43.8172.2179.6-106.2000111.3S6 S7 L12 R13 I14 P29 I32 M33 L36 L55 L282 F284S6-F10 WeakPolarHBondContact O-CB 3.14Å; S6-F10 PolarHBondContact O-N 2.65Å; S7-F10 PolarHBondContact O-N 3.45Å; F10-L12 PolarHBondContact O-N 3.42Å; F10-R13 PolarHBondContact O-N 3.2Å; F10-I14 HydrophobicContact CE1-CD1 4.36Å; F10-I14 HydrophobicContact CE1-CG2 4.39Å; F10-I14 HydrophobicContact CZ-CB 4.47Å; F10-I14 HydrophobicContact CZ-CD1 3.97Å; F10-I14 VanDerWaalsContact O-CG2 3.22Å; F10-I14 WeakPolarHBondContact O-CG2 3.42Å; F10-I14 PolarHBondContact O-N 2.94Å; F10-P29 HydrophobicContact CD1-CB 4.37Å; F10-I32 HydrophobicContact CE1-CB 4.31Å; F10-I32 HydrophobicContact CE1-CG2 3.99Å; F10-I32 HydrophobicContact CZ-CG2 3.88Å; F10-M33 HydrophobicContact CD1-CB 4.01Å; F10-M33 HydrophobicContact CE1-CB 3.99Å; F10-L36 HydrophobicContact CE2-CD1 4.24Å; F10-L36 HydrophobicContact CZ-CD1 3.77Å; F10-L55 HydrophobicContact CD1-CD1 4.4Å; F10-L55 HydrophobicContact CD2-CD1 3.92Å; F10-L55 HydrophobicContact CE1-CD1 4.23Å; F10-L55 HydrophobicContact CE2-CD1 3.73Å; F10-L55 HydrophobicContact CG-CD1 4.25Å; F10-L55 HydrophobicContact CZ-CD1 3.9Å; F10-L282 HydrophobicContact CE2-CD1 4.46Å; F10-F284 HydrophobicContact CE2-CE2 4.32Å; F10-F284 HydrophobicContact CE2-CZ 4.34Å
11A95.3Very high89.8Confident1 Ų132.3 Ų32.31%0.00818%0.176CC..Hα-helixtrans-55.5-46.7175.500000113.4S7 T8 D9 I14 Y15 P29S7-A11 WeakPolarHBondContact O-CB 3.25Å; S7-A11 PolarHBondContact O-N 3.07Å; T8-A11 WeakPolarHBondContact O-CB 3.28Å; T8-A11 PolarHBondContact O-N 3.25Å; D9-A11 VanDerWaalsContact C-N 3.27Å; D9-A11 PolarHBondContact O-N 3.28Å; A11-I14 WeakPolarHBondContact O-CG2 3.4Å; A11-Y15 WeakPolarHBondContact O-CB 3.48Å; A11-Y15 PolarHBondContact O-N 3.14Å; A11-P29 VanDerWaalsContact CA-CB 3.47Å; A11-P29 HydrophobicContact CB-CB 3.5Å; A11-P29 VanDerWaalsContact CB-CB 3.5Å; A11-P29 HydrophobicContact CB-CG 3.5Å
12L95.9Very high91Very high0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-70.3-39.4178.8-70174.4000112.3T8 D9 F10 R16 M240 L248 I367T8-L12 WeakPolarHBondContact O-CG 3.48Å; T8-L12 PolarHBondContact O-N 2.98Å; D9-L12 PolarHBondContact O-N 3.43Å; F10-L12 PolarHBondContact O-N 3.42Å; L12-R16 WeakPolarHBondContact O-CB 3.37Å; L12-R16 VanDerWaalsContact O-CG 3.25Å; L12-R16 WeakPolarHBondContact O-CG 3.37Å; L12-R16 PolarHBondContact O-N 3.24Å; L12-M240 HydrophobicContact CD2-CE 3.96Å; L12-L248 HydrophobicContact CD1-CD2 4.5Å; L12-L248 HydrophobicContact CD2-CD2 4.23Å; L12-I367 HydrophobicContact CD2-CD1 3.95Å
13R95.3Very high91.6Very high37 Ų3734.1 Ų34.114%0.1418%0.18CC..Hα-helixtrans-64.6-48177.7-74.8-173.1-70.3138.910.3111.7D9 F10 R16 E17 K54 E57 L282D9-R13 PolarHBondContact O-N 2.89Å; D9-R13 IonicContact OD2-CZ 3.25Å; D9-R13 VanDerWaalsContact OD2-CZ 3.23Å; D9-R13 IonicContact OD2-NE 2.77Å; D9-R13 PolarHBondContact OD2-NE 3.27Å; D9-R13 IonicContact OD2-NH2 3.62Å; D9-R13 PolarHBondContact OD2-NH2 3.21Å; D9-R13 VanDerWaalsContact OD2-NH2 3.14Å; F10-R13 PolarHBondContact O-N 3.2Å; R13-R16 PolarHBondContact O-N 3.14Å; R13-E17 PolarHBondContact O-N 3.06Å; R13-K54 VanDerWaalsContact CZ-O 3.29Å; R13-K54 PolarHBondContact NH1-O 3.27Å; R13-K54 PolarHBondContact NH2-O 2.99Å; R13-E57 IonicContact CZ-OE1 3.29Å; R13-E57 IonicContact NE-OE1 2.81Å; R13-E57 PolarHBondContact NE-OE1 3.05Å; R13-E57 IonicContact NH1-OE1 2.83Å; R13-E57 PolarHBondContact NH1-OE1 2.9Å; R13-E57 IonicContact NH2-OE1 3.37Å; R13-L282 HydrophobicContact CB-CD2 3.87Å
14I95.2Very high92.2Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-67.9-37.5179.2-167.1166.5000112.4F10 A11 R16 E17 A18 I27 P29 I32 L275 V278 L282F10-I14 HydrophobicContact CE1-CD1 4.36Å; F10-I14 HydrophobicContact CE1-CG2 4.39Å; F10-I14 HydrophobicContact CZ-CB 4.47Å; F10-I14 HydrophobicContact CZ-CD1 3.97Å; F10-I14 VanDerWaalsContact O-CG2 3.22Å; F10-I14 WeakPolarHBondContact O-CG2 3.42Å; F10-I14 PolarHBondContact O-N 2.94Å; A11-I14 WeakPolarHBondContact O-CG2 3.4Å; I14-R16 PolarHBondContact O-N 3.09Å; I14-E17 PolarHBondContact O-N 3.31Å; I14-A18 WeakPolarHBondContact O-CB 3.42Å; I14-A18 PolarHBondContact O-N 3.44Å; I14-I27 HydrophobicContact CG1-CD1 4.25Å; I14-I27 HydrophobicContact CG2-CD1 3.64Å; I14-P29 HydrophobicContact CG2-CB 4.09Å; I14-P29 HydrophobicContact CG2-CG 4.27Å; I14-I32 HydrophobicContact CD1-CB 4.46Å; I14-I32 HydrophobicContact CD1-CD1 3.59Å; I14-I32 HydrophobicContact CD1-CG2 3.81Å; I14-L275 HydrophobicContact CD1-CD1 3.76Å; I14-V278 HydrophobicContact CG1-CG1 3.87Å; I14-L282 HydrophobicContact CB-CD1 3.94Å; I14-L282 HydrophobicContact CD1-CD1 4.46Å; I14-L282 HydrophobicContact CG1-CD1 4.01Å
15Y94.7Very high92.5Very high13 Ų1332.4 Ų32.45%0.05117%0.171CC..Hα-helixtrans-56.4-49.8171.5166.4-85.5000111A11 E17 A18 A19 F25 M240 L353 D369A11-Y15 WeakPolarHBondContact O-CB 3.48Å; A11-Y15 PolarHBondContact O-N 3.14Å; Y15-E17 VanDerWaalsContact C-N 3.26Å; Y15-E17 PolarHBondContact O-N 2.8Å; Y15-A18 PolarHBondContact O-N 3.48Å; Y15-A18 VanDerWaalsContact O-N 3.14Å; Y15-A19 HydrophobicContact CD2-CB 4.21Å; Y15-A19 HydrophobicContact CE1-CB 4.31Å; Y15-A19 HydrophobicContact CE2-CB 3.89Å; Y15-A19 VanDerWaalsContact O-CB 3.25Å; Y15-A19 WeakPolarHBondContact O-CB 3.32Å; Y15-A19 PolarHBondContact O-N 3.42Å; Y15-F25 AromaticContact CD2-CD1 3.55Å; Y15-F25 HydrophobicContact CD2-CD1 3.55Å; Y15-F25 AromaticContact CD2-CE1 3.74Å; Y15-F25 HydrophobicContact CD2-CE1 3.74Å; Y15-F25 AromaticContact CE2-CD1 3.78Å; Y15-F25 HydrophobicContact CE2-CD1 3.78Å; Y15-F25 HydrophobicContact CE2-CE1 4.42Å; Y15-F25 HydrophobicContact CG-CE1 4.45Å; Y15-M240 HydrophobicContact CD1-CE 3.46Å; Y15-M240 VanDerWaalsContact CD1-CE 3.46Å; Y15-M240 HydrophobicContact CE1-CE 3.17Å; Y15-M240 HydrophobicContact CE1-CG 4.21Å; Y15-M240 HydrophobicContact CE1-SD 4.38Å; Y15-M240 HydrophobicContact CG-CE 4.32Å; Y15-L353 HydrophobicContact CE2-CD1 4.35Å; Y15-D369 WeakPolarHBondContact CE2-OD2 3.35Å; Y15-D369 PolarHBondContact OH-OD2 3.29Å
16R94.4Very high92.7Very high101 Ų10130.6 Ų30.638%0.38116%0.162SC..Hα-helixtrans-60.4-34.7-178.8-76.7170.1178.4145.51.1113.5L12 R13 I14 M240 L243L12-R16 WeakPolarHBondContact O-CB 3.37Å; L12-R16 VanDerWaalsContact O-CG 3.25Å; L12-R16 WeakPolarHBondContact O-CG 3.37Å; L12-R16 PolarHBondContact O-N 3.24Å; R13-R16 PolarHBondContact O-N 3.14Å; I14-R16 PolarHBondContact O-N 3.09Å; R16-M240 PolarHBondContact NH2-O 3.34Å; R16-L243 PolarHBondContact NH2-O 3.38Å
17E94.2Very high92.9Very high71 Ų7130.5 Ų30.533%0.33216%0.161SC..Hα-helixtrans-81.7-23.6179.2-73.7-59.9151.100113.5R13 I14 Y15 V278 R281 L282R13-E17 PolarHBondContact O-N 3.06Å; I14-E17 PolarHBondContact O-N 3.31Å; Y15-E17 VanDerWaalsContact C-N 3.26Å; Y15-E17 PolarHBondContact O-N 2.8Å; E17-V278 HydrophobicContact CB-CG1 3.83Å; E17-R281 HydrophobicContact CG-CB 4.44Å; E17-R281 PolarHBondContact O-NH2 2.9Å; E17-R281 VanDerWaalsContact OE2-CB 3.24Å; E17-R281 WeakPolarHBondContact OE2-CB 3.34Å; E17-R281 VanDerWaalsContact OE2-CD 3.28Å; E17-R281 WeakPolarHBondContact OE2-CD 3.36Å; E17-R281 IonicContact OE2-NE 2.76Å; E17-R281 PolarHBondContact OE2-NE 2.63Å; E17-L282 HydrophobicContact CB-CD2 4.3Å; E17-L282 HydrophobicContact CB-CG 4.33Å; E17-L282 HydrophobicContact CG-CD2 3.52Å; E17-L282 HydrophobicContact CG-CG 3.89Å
18A94.1Very high93.1Very high11 Ų1130.2 Ų30.29%0.09116%0.16CC..Hα-helixtrans-104.7-32-172.100000114.1I14 Y15 F25 L273 V278I14-A18 WeakPolarHBondContact O-CB 3.42Å; I14-A18 PolarHBondContact O-N 3.44Å; Y15-A18 PolarHBondContact O-N 3.48Å; Y15-A18 VanDerWaalsContact O-N 3.14Å; A18-F25 HydrophobicContact CB-CE1 4.31Å; A18-F25 HydrophobicContact CB-CE2 3.74Å; A18-F25 HydrophobicContact CB-CZ 3.37Å; A18-L273 HydrophobicContact CB-CD1 4.02Å; A18-L273 HydrophobicContact CB-CD2 4.05Å; A18-V278 HydrophobicContact CB-CG1 4.01Å; A18-V278 HydrophobicContact CB-CG2 4.11Å
19A92Very high93.1Very high27 Ų2730.3 Ų30.322%0.22316%0.16CC..PPolyproline II helixtrans-68.7131.4-17700000111.3Y15 F25Y15-A19 HydrophobicContact CD2-CB 4.21Å; Y15-A19 HydrophobicContact CE1-CB 4.31Å; Y15-A19 HydrophobicContact CE2-CB 3.89Å; Y15-A19 VanDerWaalsContact O-CB 3.25Å; Y15-A19 WeakPolarHBondContact O-CB 3.32Å; Y15-A19 PolarHBondContact O-N 3.42Å; A19-F25 HydrophobicContact CB-CB 4.02Å; A19-F25 HydrophobicContact CB-CD1 3.69Å; A19-F25 HydrophobicContact CB-CD2 4.28Å; A19-F25 HydrophobicContact CB-CE1 4.19Å; A19-F25 HydrophobicContact CB-CG 3.73Å
20A87.8Confident93Very high36 Ų3629 Ų2930%0.29815%0.153SC..PPolyproline II helixtrans-82.8150.5172.100000110.5N22 Q23A20-N22 PolarHBondContact O-N 3.47Å; A20-Q23 HydrophobicContact CB-CB 4.15Å; A20-Q23 HydrophobicContact CB-CG 4.38Å
21V85.4Confident92.9Very high109 Ų10929 Ų2966%0.66115%0.153SC*.THydrogen-bonded Turntrans-65130.7179.2178.70000110Q23V21-Q23 PolarHBondContact O-N 2.88Å
22N86.6Confident92.8Very high76 Ų7629 Ų2941%0.40615%0.153SC..THydrogen-bonded Turntrans56.529175.3-55.6-19.3000114.7A20 T187 Y371A20-N22 PolarHBondContact O-N 3.47Å; N22-T187 HydrophobicContact CB-CG2 4.5Å; N22-Y371 HydrophobicContact CB-CD1 4.22Å; N22-Y371 HydrophobicContact CB-CE1 4.27Å
23Q91.2Very high92.7Very high109 Ų10929 Ų2951%0.50915%0.153SC..SBendtrans-126.7134.7174.4-66.7-172.7-12.900109A20 V21 F25A20-Q23 HydrophobicContact CB-CB 4.15Å; A20-Q23 HydrophobicContact CB-CG 4.38Å; V21-Q23 PolarHBondContact O-N 2.88Å; Q23-F25 PolarHBondContact O-N 2.88Å
24S94.1Very high92.5Very high13 Ų1327.2 Ų27.29%0.09115%0.146CC..  trans-59.2129175.4-47.70000109.5D369 Y371 N373S24-D369 WeakPolarHBondContact CA-O 3.35Å; S24-D369 WeakPolarHBondContact CA-OD1 3.49Å; S24-D369 WeakPolarHBondContact CB-O 3.42Å; S24-Y371 PolarHBondContact OG-N 3.09Å; S24-N373 WeakPolarHBondContact CB-O 3.33Å; S24-N373 PolarHBondContact OG-O 3.4Å
25F93.6Very high92.3Very high1 Ų127.2 Ų27.20%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-129.6147.8-175.1174.2-99.8000109.8Y15 A18 A19 Q23 I27 Y271 G368 D369Y15-F25 AromaticContact CD2-CD1 3.55Å; Y15-F25 HydrophobicContact CD2-CD1 3.55Å; Y15-F25 AromaticContact CD2-CE1 3.74Å; Y15-F25 HydrophobicContact CD2-CE1 3.74Å; Y15-F25 AromaticContact CE2-CD1 3.78Å; Y15-F25 HydrophobicContact CE2-CD1 3.78Å; Y15-F25 HydrophobicContact CE2-CE1 4.42Å; Y15-F25 HydrophobicContact CG-CE1 4.45Å; A18-F25 HydrophobicContact CB-CE1 4.31Å; A18-F25 HydrophobicContact CB-CE2 3.74Å; A18-F25 HydrophobicContact CB-CZ 3.37Å; A19-F25 HydrophobicContact CB-CB 4.02Å; A19-F25 HydrophobicContact CB-CD1 3.69Å; A19-F25 HydrophobicContact CB-CD2 4.28Å; A19-F25 HydrophobicContact CB-CE1 4.19Å; A19-F25 HydrophobicContact CB-CG 3.73Å; Q23-F25 PolarHBondContact O-N 2.88Å; F25-I27 HydrophobicContact CE1-CB 4.39Å; F25-I27 HydrophobicContact CE1-CD1 3.82Å; F25-I27 HydrophobicContact CE1-CG1 3.68Å; F25-I27 HydrophobicContact CE1-CG2 3.97Å; F25-I27 HydrophobicContact CE2-CG2 3.92Å; F25-I27 HydrophobicContact CZ-CB 4.21Å; F25-I27 HydrophobicContact CZ-CD1 3.85Å; F25-I27 HydrophobicContact CZ-CG1 3.89Å; F25-I27 HydrophobicContact CZ-CG2 3.35Å; F25-Y271 HydrophobicContact CD2-CD1 4.14Å; F25-Y271 AromaticContact CD2-CD2 3.98Å; F25-Y271 HydrophobicContact CD2-CD2 3.98Å; F25-Y271 AromaticContact CD2-CE1 3.71Å; F25-Y271 HydrophobicContact CD2-CE1 3.71Å; F25-Y271 AromaticContact CD2-CE2 3.52Å; F25-Y271 HydrophobicContact CD2-CE2 3.52Å; F25-Y271 HydrophobicContact CD2-CG 4.26Å; F25-Y271 AromaticContact CD2-CZ 3.36Å; F25-Y271 AromaticContact CE2-CD1 3.87Å; F25-Y271 HydrophobicContact CE2-CD1 3.87Å; F25-Y271 AromaticContact CE2-CE1 3.44Å; F25-Y271 HydrophobicContact CE2-CE1 3.44Å; F25-Y271 VanDerWaalsContact CE2-CE1 3.44Å; F25-Y271 HydrophobicContact CE2-CE2 4.16Å; F25-Y271 HydrophobicContact CE2-CG 4.39Å; F25-Y271 AromaticContact CE2-CZ 3.59Å; F25-Y271 HydrophobicContact CG-CE2 4.49Å; F25-G368 CarbonylContact O-C 3.52Å; F25-G368 WeakPolarHBondContact O-CA 3.48Å; F25-D369 WeakPolarHBondContact CB-OD1 3.4Å; F25-D369 PolarHBondContact N-O 2.84Å; F25-D369 PolarHBondContact N-OD1 3.01Å; F25-D369 PolarHBondContact O-N 3.37Å
26F92.7Very high92.3Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-156.5137.8178.1175.5-106.7000111.7L269 Y271 A313 I315 F354 F366F26-L269 HydrophobicContact CB-CB 4.26Å; F26-L269 HydrophobicContact CB-CD1 4.23Å; F26-Y271 WeakPolarHBondContact O-CB 3.39Å; F26-A313 HydrophobicContact CD1-CB 3.78Å; F26-A313 HydrophobicContact CE1-CB 3.64Å; F26-I315 HydrophobicContact CD1-CB 4.31Å; F26-I315 HydrophobicContact CD1-CG2 3.75Å; F26-I315 HydrophobicContact CD2-CG2 3.92Å; F26-I315 HydrophobicContact CE1-CB 3.69Å; F26-I315 HydrophobicContact CE1-CG2 3.64Å; F26-I315 HydrophobicContact CE2-CB 4.02Å; F26-I315 HydrophobicContact CE2-CD1 3.74Å; F26-I315 HydrophobicContact CE2-CG2 3.75Å; F26-I315 HydrophobicContact CG-CG2 3.84Å; F26-I315 HydrophobicContact CZ-CB 3.48Å; F26-I315 VanDerWaalsContact CZ-CB 3.48Å; F26-I315 HydrophobicContact CZ-CD1 3.84Å; F26-I315 HydrophobicContact CZ-CG1 4.22Å; F26-I315 HydrophobicContact CZ-CG2 3.61Å; F26-F354 HydrophobicContact CB-CZ 4.38Å; F26-F354 AromaticContact CD2-CE2 3.42Å; F26-F354 HydrophobicContact CD2-CE2 3.42Å; F26-F354 VanDerWaalsContact CD2-CE2 3.42Å; F26-F354 AromaticContact CD2-CZ 3.68Å; F26-F354 HydrophobicContact CD2-CZ 3.68Å; F26-F354 AromaticContact CE2-CE2 3.65Å; F26-F354 HydrophobicContact CE2-CE2 3.65Å; F26-F354 HydrophobicContact CE2-CZ 4.34Å; F26-F354 HydrophobicContact CG-CE2 4.5Å; F26-F354 HydrophobicContact CG-CZ 4.42Å; F26-F366 HydrophobicContact CD2-CB 4.48Å; F26-F366 AromaticContact CE1-CD1 3.59Å; F26-F366 HydrophobicContact CE1-CD1 3.59Å; F26-F366 AromaticContact CE1-CE1 3.91Å; F26-F366 HydrophobicContact CE1-CE1 3.91Å; F26-F366 HydrophobicContact CE1-CG 4.49Å; F26-F366 HydrophobicContact CE2-CB 3.42Å; F26-F366 VanDerWaalsContact CE2-CB 3.42Å; F26-F366 AromaticContact CE2-CD1 3.7Å; F26-F366 HydrophobicContact CE2-CD1 3.7Å; F26-F366 AromaticContact CE2-CG 3.86Å; F26-F366 HydrophobicContact CE2-CG 3.86Å; F26-F366 HydrophobicContact CZ-CB 3.63Å; F26-F366 AromaticContact CZ-CD1 2.97Å; F26-F366 HydrophobicContact CZ-CD1 2.97Å; F26-F366 AromaticContact CZ-CE1 3.61Å; F26-F366 HydrophobicContact CZ-CE1 3.61Å; F26-F366 AromaticContact CZ-CG 3.49Å; F26-F366 HydrophobicContact CZ-CG 3.49Å; F26-F366 VanDerWaalsContact CZ-CG 3.49Å
27I94.9Very high92.3Very high0 Ų021.8 Ų21.80%013%0.125CC..EExtended strand (participates in β ladder)trans-147.8170.117453171.4000110.6I14 F25 P29 I32 L273 F366 I367I14-I27 HydrophobicContact CG1-CD1 4.25Å; I14-I27 HydrophobicContact CG2-CD1 3.64Å; F25-I27 HydrophobicContact CE1-CB 4.39Å; F25-I27 HydrophobicContact CE1-CD1 3.82Å; F25-I27 HydrophobicContact CE1-CG1 3.68Å; F25-I27 HydrophobicContact CE1-CG2 3.97Å; F25-I27 HydrophobicContact CE2-CG2 3.92Å; F25-I27 HydrophobicContact CZ-CB 4.21Å; F25-I27 HydrophobicContact CZ-CD1 3.85Å; F25-I27 HydrophobicContact CZ-CG1 3.89Å; F25-I27 HydrophobicContact CZ-CG2 3.35Å; I27-P29 HydrophobicContact CD1-CG 4.1Å; I27-P29 HydrophobicContact CG1-CG 4.16Å; I27-P29 WeakPolarHBondContact O-CD 3.42Å; I27-I32 HydrophobicContact CB-CD1 4.48Å; I27-I32 HydrophobicContact CD1-CD1 4.45Å; I27-L273 HydrophobicContact CG2-CD2 4.3Å; I27-F366 WeakPolarHBondContact O-CA 3.22Å; I27-I367 HydrophobicContact CD1-CG2 4.44Å; I27-I367 HydrophobicContact CG1-CG2 4Å; I27-I367 PolarHBondContact N-O 2.94Å; I27-I367 PolarHBondContact O-N 3.01Å
28S95Very high92.2Very high0 Ų018.4 Ų18.40%011%0.11CC..  trans-108.997.8163179.70000111.3F30 S31 I32 I164 H311 L365S28-F30 VanDerWaalsContact C-N 3.33Å; S28-F30 PolarHBondContact O-N 2.9Å; S28-S31 VanDerWaalsContact CB-CB 3.48Å; S28-S31 WeakPolarHBondContact O-CB 3.42Å; S28-S31 PolarHBondContact O-N 3.23Å; S28-S31 WeakPolarHBondContact OG-CB 3.16Å; S28-S31 PolarHBondContact OG-N 3.38Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 2.98Å; S28-I164 VanDerWaalsContact CB-CG2 3.42Å; S28-I164 WeakPolarHBondContact OG-CD1 3.26Å; S28-H311 PolarHBondContact N-NE2 3.11Å; S28-L365 WeakPolarHBondContact CA-O 3.5Å; S28-L365 WeakPolarHBondContact CB-O 3.35Å; S28-L365 PolarHBondContact OG-O 2.87Å
29P95Very high92.2Very high1 Ų117.9 Ų17.91%0.00611%0.105CC..Hα-helixtrans-64.2-37.5178.7-23.234.7000113.2F10 A11 I14 I27 S31 I32 M33 I367F10-P29 HydrophobicContact CD1-CB 4.37Å; A11-P29 VanDerWaalsContact CA-CB 3.47Å; A11-P29 HydrophobicContact CB-CB 3.5Å; A11-P29 VanDerWaalsContact CB-CB 3.5Å; A11-P29 HydrophobicContact CB-CG 3.5Å; I14-P29 HydrophobicContact CG2-CB 4.09Å; I14-P29 HydrophobicContact CG2-CG 4.27Å; I27-P29 HydrophobicContact CD1-CG 4.1Å; I27-P29 HydrophobicContact CG1-CG 4.16Å; I27-P29 WeakPolarHBondContact O-CD 3.42Å; P29-S31 VanDerWaalsContact C-N 3.35Å; P29-I32 PolarHBondContact O-N 2.78Å; P29-M33 WeakPolarHBondContact O-CB 3.26Å; P29-M33 PolarHBondContact O-N 2.78Å; P29-I367 HydrophobicContact CG-CB 4.35Å; P29-I367 HydrophobicContact CG-CG2 3.42Å; P29-I367 VanDerWaalsContact CG-CG2 3.42Å
30F91.3Very high92.3Very high3 Ų316.8 Ų16.81%0.01310%0.096CC..Hα-helixtrans-63.3-42.9177.1-178.1-94.8000111.5S28 I32 M33 V34 L69 A72 L76 V363 L365S28-F30 VanDerWaalsContact C-N 3.33Å; S28-F30 PolarHBondContact O-N 2.9Å; F30-I32 PolarHBondContact O-N 2.72Å; F30-M33 HydrophobicContact CD2-CE 3.34Å; F30-M33 HydrophobicContact CE2-CE 3.58Å; F30-M33 HydrophobicContact CG-CE 4.37Å; F30-M33 WeakPolarHBondContact O-CB 3.02Å; F30-M33 PolarHBondContact O-N 3.15Å; F30-M33 VanDerWaalsContact O-N 3.15Å; F30-V34 HydrophobicContact CD1-CG2 4.1Å; F30-V34 HydrophobicContact CE1-CG2 3.52Å; F30-V34 HydrophobicContact CE2-CG2 4.47Å; F30-V34 HydrophobicContact CZ-CG2 3.73Å; F30-V34 WeakPolarHBondContact O-CG2 3.23Å; F30-V34 PolarHBondContact O-N 3.39Å; F30-L69 HydrophobicContact CE2-CD2 4.47Å; F30-A72 HydrophobicContact CE2-CB 3.75Å; F30-A72 HydrophobicContact CZ-CB 3.51Å; F30-L76 HydrophobicContact CD1-CD1 3.68Å; F30-L76 HydrophobicContact CE1-CD1 3.41Å; F30-L76 VanDerWaalsContact CE1-CD1 3.41Å; F30-L76 HydrophobicContact CE1-CG 4.21Å; F30-L76 HydrophobicContact CZ-CD1 4.49Å; F30-V363 HydrophobicContact CD2-CB 3.87Å; F30-V363 HydrophobicContact CD2-CG1 3.99Å; F30-V363 HydrophobicContact CD2-CG2 3.87Å; F30-V363 HydrophobicContact CE2-CB 4.35Å; F30-V363 HydrophobicContact CE2-CG1 4.03Å; F30-V363 HydrophobicContact CE2-CG2 4.24Å; F30-V363 HydrophobicContact CG-CB 4.5Å; F30-V363 HydrophobicContact CG-CG2 4.17Å; F30-L365 HydrophobicContact CB-CD2 4.23Å; F30-L365 HydrophobicContact CD1-CD2 3.93Å; F30-L365 HydrophobicContact CG-CD2 4.14Å
31S91.8Very high92.6Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-59.6-45.7175.4-1740000111.6S28 P29 M33 V34 A35 L88 N162S28-S31 VanDerWaalsContact CB-CB 3.48Å; S28-S31 WeakPolarHBondContact O-CB 3.42Å; S28-S31 PolarHBondContact O-N 3.23Å; S28-S31 WeakPolarHBondContact OG-CB 3.16Å; S28-S31 PolarHBondContact OG-N 3.38Å; P29-S31 VanDerWaalsContact C-N 3.35Å; S31-M33 VanDerWaalsContact C-N 3.33Å; S31-M33 PolarHBondContact O-N 2.8Å; S31-V34 WeakPolarHBondContact O-CB 3.41Å; S31-V34 PolarHBondContact O-N 3.46Å; S31-A35 PolarHBondContact O-N 3.19Å; S31-L88 WeakPolarHBondContact OG-CD1 3.33Å; S31-N162 VanDerWaalsContact C-ND2 3.33Å; S31-N162 WeakPolarHBondContact CB-OD1 3.35Å; S31-N162 PolarHBondContact O-ND2 2.88Å; S31-N162 PolarHBondContact OG-ND2 3.46Å; S31-N162 PolarHBondContact OG-OD1 2.83Å
32I94.4Very high93.1Very high0 Ų010.1 Ų10.10%05%0.051CC..Hα-helixtrans-61.5-42.4174.1-65.7166.7000111F10 I14 I27 S28 P29 F30 V34 A35 L36 L275 H311F10-I32 HydrophobicContact CE1-CB 4.31Å; F10-I32 HydrophobicContact CE1-CG2 3.99Å; F10-I32 HydrophobicContact CZ-CG2 3.88Å; I14-I32 HydrophobicContact CD1-CB 4.46Å; I14-I32 HydrophobicContact CD1-CD1 3.59Å; I14-I32 HydrophobicContact CD1-CG2 3.81Å; I27-I32 HydrophobicContact CB-CD1 4.48Å; I27-I32 HydrophobicContact CD1-CD1 4.45Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 2.98Å; P29-I32 PolarHBondContact O-N 2.78Å; F30-I32 PolarHBondContact O-N 2.72Å; I32-V34 VanDerWaalsContact C-N 3.33Å; I32-V34 PolarHBondContact O-N 3.17Å; I32-A35 WeakPolarHBondContact O-CB 3.29Å; I32-A35 PolarHBondContact O-N 2.76Å; I32-A35 VanDerWaalsContact O-N 3.17Å; I32-L36 HydrophobicContact CG2-CD1 4.01Å; I32-L36 HydrophobicContact CG2-CG 4.44Å; I32-L36 WeakPolarHBondContact O-CG 3.35Å; I32-L36 PolarHBondContact O-N 2.81Å; I32-L275 HydrophobicContact CD1-CD1 4.16Å; I32-L275 HydrophobicContact CG1-CD2 4.32Å; I32-L275 HydrophobicContact CG2-CD1 4.08Å; I32-L275 HydrophobicContact CG2-CD2 3.8Å; I32-H311 HydrophobicContact CD1-CB 4.24Å; I32-H311 HydrophobicContact CG1-CB 4.15Å
33M92.7Very high93.6Very high0 Ų06.5 Ų6.50%03%0.032CC..Hα-helixtrans-62.3-39.9178.2-177.8176.46400111.8L3 F10 P29 F30 S31 L36 G37 L55 L69L3-M33 HydrophobicContact CD1-CE 4.43Å; F10-M33 HydrophobicContact CD1-CB 4.01Å; F10-M33 HydrophobicContact CE1-CB 3.99Å; P29-M33 WeakPolarHBondContact O-CB 3.26Å; P29-M33 PolarHBondContact O-N 2.78Å; F30-M33 HydrophobicContact CD2-CE 3.34Å; F30-M33 HydrophobicContact CE2-CE 3.58Å; F30-M33 HydrophobicContact CG-CE 4.37Å; F30-M33 WeakPolarHBondContact O-CB 3.02Å; F30-M33 PolarHBondContact O-N 3.15Å; F30-M33 VanDerWaalsContact O-N 3.15Å; S31-M33 VanDerWaalsContact C-N 3.33Å; S31-M33 PolarHBondContact O-N 2.8Å; M33-L36 PolarHBondContact O-N 2.81Å; M33-G37 PolarHBondContact O-N 2.84Å; M33-L55 HydrophobicContact CB-CD1 4.18Å; M33-L55 HydrophobicContact CG-CD1 3.73Å; M33-L55 HydrophobicContact CG-CD2 4.36Å; M33-L55 HydrophobicContact CG-CG 4.02Å; M33-L69 HydrophobicContact CE-CD2 3.58Å; M33-L69 HydrophobicContact CG-CD2 4.13Å; M33-L69 HydrophobicContact SD-CD2 4.13Å
34V90.7Very high93.8Very high0 Ų02.9 Ų2.90%02%0.019CC..Hα-helixtrans-61.9-45172.3162.30000111.2F30 S31 I32 L36 G37 M38 M73 N90 Y112F30-V34 HydrophobicContact CD1-CG2 4.1Å; F30-V34 HydrophobicContact CE1-CG2 3.52Å; F30-V34 HydrophobicContact CE2-CG2 4.47Å; F30-V34 HydrophobicContact CZ-CG2 3.73Å; F30-V34 WeakPolarHBondContact O-CG2 3.23Å; F30-V34 PolarHBondContact O-N 3.39Å; S31-V34 WeakPolarHBondContact O-CB 3.41Å; S31-V34 PolarHBondContact O-N 3.46Å; I32-V34 VanDerWaalsContact C-N 3.33Å; I32-V34 PolarHBondContact O-N 3.17Å; V34-L36 VanDerWaalsContact C-N 3.32Å; V34-L36 PolarHBondContact O-N 2.85Å; V34-G37 WeakPolarHBondContact O-CA 3.19Å; V34-G37 PolarHBondContact O-N 2.84Å; V34-M38 PolarHBondContact O-N 3.31Å; V34-M73 HydrophobicContact CG1-SD 4.35Å; V34-M73 HydrophobicContact CG2-SD 4.41Å; V34-N90 WeakPolarHBondContact CG1-ND2 3.43Å; V34-Y112 HydrophobicContact CG1-CD1 3.97Å
35A92.9Very high93.9Very high0 Ų04.1 Ų4.10%03%0.033CC..Hα-helixtrans-63.6-38.4179.100000112.2S31 I32 M38 T39 L160 N162S31-A35 PolarHBondContact O-N 3.19Å; I32-A35 WeakPolarHBondContact O-CB 3.29Å; I32-A35 PolarHBondContact O-N 2.76Å; I32-A35 VanDerWaalsContact O-N 3.17Å; A35-M38 HydrophobicContact CB-CE 4.03Å; A35-M38 WeakPolarHBondContact O-CG 3.26Å; A35-T39 PolarHBondContact O-N 3.07Å; A35-T39 PolarHBondContact O-OG1 3.09Å; A35-L160 HydrophobicContact CB-CD1 3.83Å; A35-L160 HydrophobicContact CB-CD2 4.26Å; A35-L160 HydrophobicContact CB-CG 4.24Å; A35-L160 WeakPolarHBondContact O-CD1 3.49Å; A35-N162 HydrophobicContact CB-CB 3.96Å
36L94.6Very high94Very high0 Ų09.1 Ų9.10%06%0.06CC..Hα-helixtrans-71.8-32.8171.1-67.5170.7000112.3F10 I32 M33 V34 T39 Y40 M51 L55 L160 L279 F284 M287F10-L36 HydrophobicContact CE2-CD1 4.24Å; F10-L36 HydrophobicContact CZ-CD1 3.77Å; I32-L36 HydrophobicContact CG2-CD1 4.01Å; I32-L36 HydrophobicContact CG2-CG 4.44Å; I32-L36 WeakPolarHBondContact O-CG 3.35Å; I32-L36 PolarHBondContact O-N 2.81Å; M33-L36 PolarHBondContact O-N 2.81Å; V34-L36 VanDerWaalsContact C-N 3.32Å; V34-L36 PolarHBondContact O-N 2.85Å; L36-T39 CarbonylContact O-C 3.59Å; L36-T39 WeakPolarHBondContact O-CB 3.49Å; L36-T39 PolarHBondContact O-N 3.43Å; L36-Y40 VanDerWaalsContact O-CB 3.28Å; L36-Y40 WeakPolarHBondContact O-CB 3.44Å; L36-Y40 PolarHBondContact O-N 3.47Å; L36-M51 WeakPolarHBondContact O-CE 3.47Å; L36-L55 HydrophobicContact CB-CD1 4.09Å; L36-L55 HydrophobicContact CB-CD2 3.66Å; L36-L55 HydrophobicContact CD1-CD1 3.73Å; L36-L160 HydrophobicContact CD2-CD2 4Å; L36-L279 HydrophobicContact CD1-CD2 3.79Å; L36-L279 HydrophobicContact CD2-CD1 3.82Å; L36-L279 HydrophobicContact CD2-CD2 4.48Å; L36-F284 HydrophobicContact CD1-CE1 4.29Å; L36-F284 HydrophobicContact CD1-CZ 4.07Å; L36-M287 HydrophobicContact CD2-CE 4.12Å; L36-M287 HydrophobicContact CD2-SD 4.4Å
37G92.6Very high94.3Very high0 Ų09.1 Ų9.10%06%0.06CC..Hα-helixtrans-62.3-47.2175.200000112.6M33 V34 T39 Y40 V41M33-G37 PolarHBondContact O-N 2.84Å; V34-G37 WeakPolarHBondContact O-CA 3.19Å; V34-G37 PolarHBondContact O-N 2.84Å; G37-T39 VanDerWaalsContact C-N 3.28Å; G37-T39 PolarHBondContact O-N 2.89Å; G37-Y40 WeakPolarHBondContact O-CB 3.41Å; G37-Y40 PolarHBondContact O-N 2.97Å; G37-Y40 VanDerWaalsContact O-N 3.14Å; G37-V41 PolarHBondContact O-N 2.76Å
38M92.3Very high94.3Very high0 Ų010.4 Ų10.40%07%0.065CC..Hα-helixtrans-63.3-35.6174.262.9-179.2-170.700111.9V34 A35 V41 N90 L92 I108 Y112 A114 L160V34-M38 PolarHBondContact O-N 3.31Å; A35-M38 HydrophobicContact CB-CE 4.03Å; A35-M38 WeakPolarHBondContact O-CG 3.26Å; M38-V41 PolarHBondContact O-N 2.84Å; M38-N90 HydrophobicContact CE-CB 4.17Å; M38-N90 HydrophobicContact SD-CB 4.11Å; M38-L92 HydrophobicContact CE-CD2 4.27Å; M38-L92 HydrophobicContact CE-CG 4.03Å; M38-L92 HydrophobicContact SD-CG 4.44Å; M38-I108 HydrophobicContact CB-CB 4.45Å; M38-I108 HydrophobicContact CB-CG2 3.98Å; M38-Y112 HydrophobicContact CB-CD2 4.22Å; M38-Y112 HydrophobicContact CB-CG 4.19Å; M38-A114 HydrophobicContact SD-CB 3.68Å; M38-L160 HydrophobicContact CE-CD1 3.18Å
39T94.6Very high94.3Very high0 Ų013.9 Ų13.90%09%0.089CC..Hα-helixtrans-68.8-37.5174.3-52.80000111.3A35 L36 G37 V41 G42 S43 M51 M287 F295 V306A35-T39 PolarHBondContact O-N 3.07Å; A35-T39 PolarHBondContact O-OG1 3.09Å; L36-T39 CarbonylContact O-C 3.59Å; L36-T39 WeakPolarHBondContact O-CB 3.49Å; L36-T39 PolarHBondContact O-N 3.43Å; G37-T39 VanDerWaalsContact C-N 3.28Å; G37-T39 PolarHBondContact O-N 2.89Å; T39-V41 VanDerWaalsContact C-N 3.35Å; T39-V41 PolarHBondContact O-N 3.39Å; T39-G42 PolarHBondContact O-N 3.05Å; T39-G42 VanDerWaalsContact O-N 3.12Å; T39-S43 PolarHBondContact O-N 2.77Å; T39-M51 HydrophobicContact CG2-CE 3.95Å; T39-M287 HydrophobicContact CG2-CE 4.04Å; T39-F295 HydrophobicContact CG2-CD1 4.5Å; T39-F295 HydrophobicContact CG2-CE1 3.51Å; T39-F295 HydrophobicContact CG2-CZ 3.77Å; T39-V306 HydrophobicContact CG2-CG2 4.15Å
40Y95Very high94.3Very high5 Ų515.3 Ų15.32%0.0210%0.096CC..Hα-helixtrans-63.3-37.2177.2173.2-107.5000112L36 G37 G42 S43 R48 M51 K52 F56 D62L36-Y40 VanDerWaalsContact O-CB 3.28Å; L36-Y40 WeakPolarHBondContact O-CB 3.44Å; L36-Y40 PolarHBondContact O-N 3.47Å; G37-Y40 WeakPolarHBondContact O-CB 3.41Å; G37-Y40 PolarHBondContact O-N 2.97Å; G37-Y40 VanDerWaalsContact O-N 3.14Å; Y40-G42 PolarHBondContact O-N 3.17Å; Y40-S43 WeakPolarHBondContact CD2-OG 3.42Å; Y40-S43 PolarHBondContact O-N 2.87Å; Y40-S43 PolarHBondContact O-OG 2.68Å; Y40-R48 HydrophobicContact CD2-CG 4.14Å; Y40-R48 VanDerWaalsContact CE1-NH2 3.27Å; Y40-R48 HydrophobicContact CE2-CB 4.43Å; Y40-R48 HydrophobicContact CE2-CG 3.38Å; Y40-R48 WeakPolarHBondContact CE2-O 3.46Å; Y40-R48 VanDerWaalsContact CZ-CZ 3.42Å; Y40-R48 VanDerWaalsContact CZ-NH2 3.34Å; Y40-R48 PolarHBondContact O-NH1 3.33Å; Y40-R48 PolarHBondContact OH-NE 3.3Å; Y40-R48 PolarHBondContact OH-NH2 3Å; Y40-M51 HydrophobicContact CD2-CB 3.88Å; Y40-K52 HydrophobicContact CE2-CB 3.86Å; Y40-F56 HydrophobicContact CD1-CE2 4.36Å; Y40-F56 HydrophobicContact CE1-CE2 4.49Å; Y40-D62 PolarHBondContact OH-OD1 3.41Å; Y40-D62 PolarHBondContact OH-OD2 3.32Å
41V94.4Very high94.5Very high4 Ų415.1 Ų15.12%0.02410%0.095CC..Hα-helixtrans-54.1-38.4173.7174.70000111.3G37 M38 T39 F104 R107 I108 Y112G37-V41 PolarHBondContact O-N 2.76Å; M38-V41 PolarHBondContact O-N 2.84Å; T39-V41 VanDerWaalsContact C-N 3.35Å; T39-V41 PolarHBondContact O-N 3.39Å; V41-F104 HydrophobicContact CB-CD2 4.46Å; V41-F104 HydrophobicContact CB-CE2 4.2Å; V41-F104 HydrophobicContact CG1-CD2 3.97Å; V41-F104 HydrophobicContact CG1-CE2 4.19Å; V41-R107 HydrophobicContact CG1-CB 4.01Å; V41-I108 HydrophobicContact CB-CG2 4.43Å; V41-I108 HydrophobicContact CG1-CG2 4.48Å; V41-Y112 HydrophobicContact CG2-CE2 3.68Å
42G95.4Very high94.6Very high0 Ų017.5 Ų17.50%011%0.106CC..THydrogen-bonded Turntrans-80.3-8.7179.300000115.6T39 Y40 F295 K297 I298T39-G42 PolarHBondContact O-N 3.05Å; T39-G42 VanDerWaalsContact O-N 3.12Å; Y40-G42 PolarHBondContact O-N 3.17Å; G42-F295 CarbonylContact O-C 3.55Å; G42-F295 VanDerWaalsContact O-CA 3.28Å; G42-F295 WeakPolarHBondContact O-CA 3.28Å; G42-K297 WeakPolarHBondContact O-CB 3.27Å; G42-K297 PolarHBondContact O-N 2.81Å; G42-I298 VanDerWaalsContact CA-CG1 3.44Å
43S96.1Very high94.5Very high0 Ų020.2 Ų20.20%013%0.128CC..  trans-89.6149.3-173.570.90000113.9T39 Y40 R48 D294 K297T39-S43 PolarHBondContact O-N 2.77Å; Y40-S43 WeakPolarHBondContact CD2-OG 3.42Å; Y40-S43 PolarHBondContact O-N 2.87Å; Y40-S43 PolarHBondContact O-OG 2.68Å; S43-R48 PolarHBondContact O-NH1 2.95Å; S43-R48 WeakPolarHBondContact OG-CA 3.45Å; S43-R48 WeakPolarHBondContact OG-CB 3.14Å; S43-R48 PolarHBondContact OG-NH1 2.92Å; S43-D294 CarbonylContact C-O 3.52Å; S43-D294 WeakPolarHBondContact CA-O 3.35Å; S43-K297 WeakPolarHBondContact O-CD 2.92Å
44S96.5Very high94.5Very high33 Ų3324 Ų2423%0.23114%0.144CC..  trans-134.2177.2173-156.90000111.9T47 R48 D294S44-T47 PolarHBondContact O-N 3.42Å; S44-R48 PolarHBondContact O-N 2.6Å; S44-D294 PolarHBondContact N-O 2.79Å
45G95.8Very high94.5Very high39 Ų3924 Ų2440%0.40214%0.144SC..Hα-helixtrans53-140.5173.500000114.9T47 R48 S49G45-T47 VanDerWaalsContact C-N 3.32Å; G45-T47 PolarHBondContact O-N 2.86Å; G45-R48 WeakPolarHBondContact O-CB 3.4Å; G45-R48 PolarHBondContact O-N 3.37Å; G45-S49 PolarHBondContact O-N 3.46Å; G45-S49 PolarHBondContact O-OG 3.44Å
46N96.5Very high94.1Very high106 Ų10624.3 Ų24.357%0.56715%0.145SC*.Hα-helixtrans-66.8-33.1-178.8-163.854.3000112.9R48 S49 Q50 D286N46-R48 VanDerWaalsContact C-N 3.3Å; N46-R48 PolarHBondContact O-N 3.23Å; N46-S49 PolarHBondContact O-N 3.18Å; N46-Q50 WeakPolarHBondContact O-CB 3.4Å; N46-Q50 PolarHBondContact O-N 3.08Å; N46-D286 PolarHBondContact ND2-OD2 3.45Å
47T97.3Very high93.5Very high0 Ų028.3 Ų28.30%016%0.164CC..Hα-helixtrans-57-47174.6-62.10000110.1S44 G45 Q50 M51 M287 L292 A293 D294 F295S44-T47 PolarHBondContact O-N 3.42Å; G45-T47 VanDerWaalsContact C-N 3.32Å; G45-T47 PolarHBondContact O-N 2.86Å; T47-Q50 PolarHBondContact O-N 3.18Å; T47-M51 HydrophobicContact CG2-SD 4.12Å; T47-M51 WeakPolarHBondContact O-CB 3.38Å; T47-M51 VanDerWaalsContact O-CG 3.25Å; T47-M51 WeakPolarHBondContact O-CG 3.34Å; T47-M51 PolarHBondContact O-N 2.98Å; T47-M287 HydrophobicContact CG2-CB 4.05Å; T47-L292 PolarHBondContact OG1-O 2.96Å; T47-A293 WeakPolarHBondContact OG1-CA 3.43Å; T47-D294 PolarHBondContact OG1-N 2.88Å; T47-F295 HydrophobicContact CG2-CE1 4.37Å; T47-F295 HydrophobicContact CG2-CE2 4.49Å; T47-F295 HydrophobicContact CG2-CZ 4.09Å
48R95.3Very high92.5Very high27 Ų2729.3 Ų29.310%0.10217%0.171CC..Hα-helixtrans-59.8-50.4176.4-173.3178.3-165.967.99.9112Y40 S43 S44 G45 N46 Q50 M51 K52 D62Y40-R48 HydrophobicContact CD2-CG 4.14Å; Y40-R48 VanDerWaalsContact CE1-NH2 3.27Å; Y40-R48 HydrophobicContact CE2-CB 4.43Å; Y40-R48 HydrophobicContact CE2-CG 3.38Å; Y40-R48 WeakPolarHBondContact CE2-O 3.46Å; Y40-R48 VanDerWaalsContact CZ-CZ 3.42Å; Y40-R48 VanDerWaalsContact CZ-NH2 3.34Å; Y40-R48 PolarHBondContact O-NH1 3.33Å; Y40-R48 PolarHBondContact OH-NE 3.3Å; Y40-R48 PolarHBondContact OH-NH2 3Å; S43-R48 PolarHBondContact O-NH1 2.95Å; S43-R48 WeakPolarHBondContact OG-CA 3.45Å; S43-R48 WeakPolarHBondContact OG-CB 3.14Å; S43-R48 PolarHBondContact OG-NH1 2.92Å; S44-R48 PolarHBondContact O-N 2.6Å; G45-R48 WeakPolarHBondContact O-CB 3.4Å; G45-R48 PolarHBondContact O-N 3.37Å; N46-R48 VanDerWaalsContact C-N 3.3Å; N46-R48 PolarHBondContact O-N 3.23Å; R48-Q50 VanDerWaalsContact C-N 3.35Å; R48-Q50 PolarHBondContact O-N 3.33Å; R48-M51 PolarHBondContact O-N 3.28Å; R48-K52 WeakPolarHBondContact O-CB 3.22Å; R48-K52 PolarHBondContact O-N 3.4Å; R48-D62 IonicContact CZ-OD2 3.62Å; R48-D62 IonicContact NE-OD2 2.77Å; R48-D62 PolarHBondContact NE-OD2 2.81Å; R48-D62 VanDerWaalsContact NH2-CG 3.29Å; R48-D62 IonicContact NH2-OD2 2.78Å; R48-D62 PolarHBondContact NH2-OD2 2.85Å
49S94.8Very high91.7Very high73 Ų7334.6 Ų34.651%0.5121%0.208SC..Hα-helixtrans-60.6-43-179-61.70000112.2G45 N46 K52 A53G45-S49 PolarHBondContact O-N 3.46Å; G45-S49 PolarHBondContact O-OG 3.44Å; N46-S49 PolarHBondContact O-N 3.18Å; S49-K52 PolarHBondContact O-N 3.15Å; S49-A53 WeakPolarHBondContact O-CB 3.28Å; S49-A53 PolarHBondContact O-N 3.46Å
50Q95.8Very high91Very high31 Ų3136.3 Ų36.315%0.14522%0.217CC..Hα-helixtrans-63-48.8175.7-177.9-177.28600111.6N46 T47 R48 K52 A53 K54 G283 T285 D286N46-Q50 WeakPolarHBondContact O-CB 3.4Å; N46-Q50 PolarHBondContact O-N 3.08Å; T47-Q50 PolarHBondContact O-N 3.18Å; R48-Q50 VanDerWaalsContact C-N 3.35Å; R48-Q50 PolarHBondContact O-N 3.33Å; Q50-K52 VanDerWaalsContact C-N 3.34Å; Q50-K52 PolarHBondContact O-N 3.44Å; Q50-A53 PolarHBondContact O-N 3.06Å; Q50-K54 WeakPolarHBondContact O-CG 3.5Å; Q50-K54 PolarHBondContact O-N 2.85Å; Q50-G283 WeakPolarHBondContact CG-O 3.47Å; Q50-T285 PolarHBondContact NE2-OG1 2.96Å; Q50-D286 PolarHBondContact NE2-OD1 3.19Å
51M95.1Very high90.5Very high0 Ų041.8 Ų41.80%024%0.243CC..Hα-helixtrans-59.2-45.6177.4-72.6-177.879.700111.4L36 T39 Y40 T47 R48 A53 K54 L55 F284 M287 F295L36-M51 WeakPolarHBondContact O-CE 3.47Å; T39-M51 HydrophobicContact CG2-CE 3.95Å; Y40-M51 HydrophobicContact CD2-CB 3.88Å; T47-M51 HydrophobicContact CG2-SD 4.12Å; T47-M51 WeakPolarHBondContact O-CB 3.38Å; T47-M51 VanDerWaalsContact O-CG 3.25Å; T47-M51 WeakPolarHBondContact O-CG 3.34Å; T47-M51 PolarHBondContact O-N 2.98Å; R48-M51 PolarHBondContact O-N 3.28Å; M51-A53 PolarHBondContact O-N 3.28Å; M51-K54 PolarHBondContact O-N 2.93Å; M51-L55 WeakPolarHBondContact O-CB 3.28Å; M51-L55 PolarHBondContact O-N 2.83Å; M51-F284 HydrophobicContact CB-CE1 4.47Å; M51-F284 HydrophobicContact CG-CD1 4.17Å; M51-F284 HydrophobicContact CG-CE1 4.42Å; M51-M287 HydrophobicContact CE-CE 4.41Å; M51-M287 HydrophobicContact CE-SD 4.34Å; M51-M287 HydrophobicContact CG-SD 4.44Å; M51-F295 HydrophobicContact SD-CE1 4.4Å
52K93Very high90.1Very high50 Ų5044.1 Ų44.122%0.21726%0.255CS..Hα-helixtrans-59.5-48.5178.3-174.8176.5-174.9157.60111.6Y40 R48 S49 Q50 K54 F56 L60 D62 I65Y40-K52 HydrophobicContact CE2-CB 3.86Å; R48-K52 WeakPolarHBondContact O-CB 3.22Å; R48-K52 PolarHBondContact O-N 3.4Å; S49-K52 PolarHBondContact O-N 3.15Å; Q50-K52 VanDerWaalsContact C-N 3.34Å; Q50-K52 PolarHBondContact O-N 3.44Å; K52-K54 PolarHBondContact O-N 2.91Å; K52-F56 HydrophobicContact CG-CD2 4.31Å; K52-F56 PolarHBondContact O-N 2.75Å; K52-F56 VanDerWaalsContact O-N 3.13Å; K52-L60 WeakPolarHBondContact CE-O 3.36Å; K52-L60 PolarHBondContact NZ-O 3.5Å; K52-D62 IonicContact NZ-OD1 2.87Å; K52-D62 PolarHBondContact NZ-OD1 2.83Å; K52-I65 HydrophobicContact CD-CD1 4.35Å; K52-I65 HydrophobicContact CG-CD1 4.14Å
53A92.8Very high89.6Confident56 Ų5648.9 Ų48.946%0.46328%0.281SS..Hα-helixtrans-61.5-42.7-179.800000111.9S49 Q50 M51 E57S49-A53 WeakPolarHBondContact O-CB 3.28Å; S49-A53 PolarHBondContact O-N 3.46Å; Q50-A53 PolarHBondContact O-N 3.06Å; M51-A53 PolarHBondContact O-N 3.28Å; A53-E57 VanDerWaalsContact O-CG 3.26Å; A53-E57 WeakPolarHBondContact O-CG 3.34Å; A53-E57 PolarHBondContact O-N 3.03Å
54K93.7Very high89Confident80 Ų8053 Ų5335%0.34830%0.3SS..Hα-helixtrans-80.9-33.5-176.9-62.6-53.1-176.5177.10114R13 Q50 M51 K52 L282 F284R13-K54 VanDerWaalsContact CZ-O 3.29Å; R13-K54 PolarHBondContact NH1-O 3.27Å; R13-K54 PolarHBondContact NH2-O 2.99Å; Q50-K54 WeakPolarHBondContact O-CG 3.5Å; Q50-K54 PolarHBondContact O-N 2.85Å; M51-K54 PolarHBondContact O-N 2.93Å; K52-K54 PolarHBondContact O-N 2.91Å; K54-L282 WeakPolarHBondContact CD-O 3.33Å; K54-F284 HydrophobicContact CB-CD1 4.38Å; K54-F284 HydrophobicContact CB-CD2 4.18Å; K54-F284 HydrophobicContact CB-CE1 3.87Å; K54-F284 HydrophobicContact CB-CE2 3.64Å; K54-F284 HydrophobicContact CB-CZ 3.47Å; K54-F284 VanDerWaalsContact CB-CZ 3.47Å
55L90.7Very high88.4Confident0 Ų051.5 Ų51.50%029%0.29CS..Hα-helixtrans-82.9-41.2-175.3-167.758000112.7F10 M33 L36 M51 F284F10-L55 HydrophobicContact CD1-CD1 4.4Å; F10-L55 HydrophobicContact CD2-CD1 3.92Å; F10-L55 HydrophobicContact CE1-CD1 4.23Å; F10-L55 HydrophobicContact CE2-CD1 3.73Å; F10-L55 HydrophobicContact CG-CD1 4.25Å; F10-L55 HydrophobicContact CZ-CD1 3.9Å; M33-L55 HydrophobicContact CB-CD1 4.18Å; M33-L55 HydrophobicContact CG-CD1 3.73Å; M33-L55 HydrophobicContact CG-CD2 4.36Å; M33-L55 HydrophobicContact CG-CG 4.02Å; L36-L55 HydrophobicContact CB-CD1 4.09Å; L36-L55 HydrophobicContact CB-CD2 3.66Å; L36-L55 HydrophobicContact CD1-CD1 3.73Å; M51-L55 WeakPolarHBondContact O-CB 3.28Å; M51-L55 PolarHBondContact O-N 2.83Å; L55-F284 HydrophobicContact CB-CE1 4.42Å; L55-F284 HydrophobicContact CB-CZ 4.24Å; L55-F284 HydrophobicContact CD1-CZ 4.41Å
56F84.8Confident87.9Confident6 Ų650.3 Ų50.33%0.02628%0.275CS..Hα-helixtrans-110.9-24-169.4-54.4-66000114S6 Y40 K52 S58 I65 L69S6-F56 VanDerWaalsContact CB-O 3.29Å; S6-F56 WeakPolarHBondContact CB-O 3.37Å; S6-F56 PolarHBondContact OG-O 2.99Å; Y40-F56 HydrophobicContact CD1-CE2 4.36Å; Y40-F56 HydrophobicContact CE1-CE2 4.49Å; K52-F56 HydrophobicContact CG-CD2 4.31Å; K52-F56 PolarHBondContact O-N 2.75Å; K52-F56 VanDerWaalsContact O-N 3.13Å; F56-S58 WeakPolarHBondContact CB-OG 3.37Å; F56-S58 WeakPolarHBondContact O-CB 3.32Å; F56-S58 PolarHBondContact O-N 2.99Å; F56-I65 HydrophobicContact CB-CD1 4.47Å; F56-I65 HydrophobicContact CD1-CG2 4.07Å; F56-I65 HydrophobicContact CD2-CD1 3.67Å; F56-I65 HydrophobicContact CD2-CG1 4.23Å; F56-I65 HydrophobicContact CD2-CG2 3.96Å; F56-I65 HydrophobicContact CE1-CG2 3.55Å; F56-I65 HydrophobicContact CE2-CD1 4.11Å; F56-I65 HydrophobicContact CE2-CG2 3.42Å; F56-I65 VanDerWaalsContact CE2-CG2 3.42Å; F56-I65 HydrophobicContact CG-CD1 4.05Å; F56-I65 HydrophobicContact CG-CG1 4.24Å; F56-I65 HydrophobicContact CG-CG2 4.26Å; F56-I65 HydrophobicContact CZ-CG2 3.18Å; F56-L69 HydrophobicContact CE1-CD1 3.79Å; F56-L69 HydrophobicContact CE1-CD2 4.46Å; F56-L69 HydrophobicContact CE1-CG 4.29Å; F56-L69 HydrophobicContact CZ-CD1 3.82Å
57E81.1Confident87.3Confident85 Ų8548.5 Ų48.540%0.39727%0.271SS..  trans41.938.7-171.9-65.9-165.1-173.400112M1 R13 A53M1-E57 HydrophobicContact CE-CB 4.4Å; R13-E57 IonicContact CZ-OE1 3.29Å; R13-E57 IonicContact NE-OE1 2.81Å; R13-E57 PolarHBondContact NE-OE1 3.05Å; R13-E57 IonicContact NH1-OE1 2.83Å; R13-E57 PolarHBondContact NH1-OE1 2.9Å; R13-E57 IonicContact NH2-OE1 3.37Å; A53-E57 VanDerWaalsContact O-CG 3.26Å; A53-E57 WeakPolarHBondContact O-CG 3.34Å; A53-E57 PolarHBondContact O-N 3.03Å
58S72.4Confident86.6Confident20 Ų2051.5 Ų51.514%0.1429%0.286CS..SBendtrans-124.7147.7-167.479.70000111.4F56 L60F56-S58 WeakPolarHBondContact CB-OG 3.37Å; F56-S58 WeakPolarHBondContact O-CB 3.32Å; F56-S58 PolarHBondContact O-N 2.99Å; S58-L60 PolarHBondContact O-N 3.13Å; S58-L60 WeakPolarHBondContact OG-CB 3.48Å; S58-L60 PolarHBondContact OG-N 3.21Å
59S74.4Confident86.1Confident112 Ų11250.2 Ų50.278%0.78328%0.282SS*.  trans-807.1166.760.60000112.4
60L80Confident85.8Confident36 Ų3647.1 Ų47.119%0.18826%0.26CS..  trans-68.7145.7-175.4-65.8175.7000110.6K52 S58 Q64 I65 L68K52-L60 WeakPolarHBondContact CE-O 3.36Å; K52-L60 PolarHBondContact NZ-O 3.5Å; S58-L60 PolarHBondContact O-N 3.13Å; S58-L60 WeakPolarHBondContact OG-CB 3.48Å; S58-L60 PolarHBondContact OG-N 3.21Å; L60-Q64 HydrophobicContact CB-CB 4.17Å; L60-Q64 HydrophobicContact CD2-CB 4.37Å; L60-I65 HydrophobicContact CB-CD1 4.4Å; L60-I65 HydrophobicContact CB-CG1 3.92Å; L60-L68 HydrophobicContact CD1-CD1 3.57Å
61E85.4Confident85.3Confident120 Ų12049.1 Ų49.156%0.56128%0.277SS*.  trans-71.6161.6171.2-66.7-172.1165.500111.3N63 Q64 I65E61-N63 VanDerWaalsContact C-N 3.32Å; E61-N63 WeakPolarHBondContact CB-OD1 3.34Å; E61-N63 PolarHBondContact O-N 3.22Å; E61-Q64 HydrophobicContact CB-CG 4.3Å; E61-Q64 WeakPolarHBondContact O-CB 3.47Å; E61-Q64 PolarHBondContact O-N 3Å; E61-Q64 VanDerWaalsContact O-N 3.11Å; E61-I65 WeakPolarHBondContact O-CG1 3.4Å; E61-I65 PolarHBondContact O-N 2.9Å
62D85.9Confident84.8Confident53 Ų5349.3 Ų49.328%0.28328%0.278SS..Hα-helixtrans-66.1-34.9-172.7-71.3-2.6000113.1Y40 R48 K52 S66Y40-D62 PolarHBondContact OH-OD1 3.41Å; Y40-D62 PolarHBondContact OH-OD2 3.32Å; R48-D62 IonicContact CZ-OD2 3.62Å; R48-D62 IonicContact NE-OD2 2.77Å; R48-D62 PolarHBondContact NE-OD2 2.81Å; R48-D62 VanDerWaalsContact NH2-CG 3.29Å; R48-D62 IonicContact NH2-OD2 2.78Å; R48-D62 PolarHBondContact NH2-OD2 2.85Å; K52-D62 IonicContact NZ-OD1 2.87Å; K52-D62 PolarHBondContact NZ-OD1 2.83Å; D62-S66 VanDerWaalsContact O-CB 3.3Å; D62-S66 WeakPolarHBondContact O-CB 3.34Å; D62-S66 PolarHBondContact O-N 3.22Å
63N84.4Confident84.4Confident99 Ų9948.1 Ų48.153%0.52927%0.274SS..Hα-helixtrans-64.3-38.6172.357-11.6000111.7E61 S67E61-N63 VanDerWaalsContact C-N 3.32Å; E61-N63 WeakPolarHBondContact CB-OD1 3.34Å; E61-N63 PolarHBondContact O-N 3.22Å; N63-S67 WeakPolarHBondContact O-CB 3.37Å; N63-S67 PolarHBondContact O-N 2.95Å
64Q83.5Confident84Confident86 Ų8651.5 Ų51.540%0.40228%0.278SS..Hα-helixtrans-68.2-45.1178-64.8177.2-45.200110.6L60 E61 S67 L68L60-Q64 HydrophobicContact CB-CB 4.17Å; L60-Q64 HydrophobicContact CD2-CB 4.37Å; E61-Q64 HydrophobicContact CB-CG 4.3Å; E61-Q64 WeakPolarHBondContact O-CB 3.47Å; E61-Q64 PolarHBondContact O-N 3Å; E61-Q64 VanDerWaalsContact O-N 3.11Å; Q64-S67 PolarHBondContact O-N 3.16Å; Q64-L68 VanDerWaalsContact O-CB 3.29Å; Q64-L68 WeakPolarHBondContact O-CB 3.3Å; Q64-L68 WeakPolarHBondContact O-CD1 3.41Å; Q64-L68 WeakPolarHBondContact O-CG 3.41Å; Q64-L68 PolarHBondContact O-N 3.42Å
65I83.9Confident83.5Confident3 Ų349.4 Ų49.42%0.01527%0.274CS..Hα-helixtrans-58-50.9175.3-71.5166.1000110.8K52 F56 L60 E61 L68 L69K52-I65 HydrophobicContact CD-CD1 4.35Å; K52-I65 HydrophobicContact CG-CD1 4.14Å; F56-I65 HydrophobicContact CB-CD1 4.47Å; F56-I65 HydrophobicContact CD1-CG2 4.07Å; F56-I65 HydrophobicContact CD2-CD1 3.67Å; F56-I65 HydrophobicContact CD2-CG1 4.23Å; F56-I65 HydrophobicContact CD2-CG2 3.96Å; F56-I65 HydrophobicContact CE1-CG2 3.55Å; F56-I65 HydrophobicContact CE2-CD1 4.11Å; F56-I65 HydrophobicContact CE2-CG2 3.42Å; F56-I65 VanDerWaalsContact CE2-CG2 3.42Å; F56-I65 HydrophobicContact CG-CD1 4.05Å; F56-I65 HydrophobicContact CG-CG1 4.24Å; F56-I65 HydrophobicContact CG-CG2 4.26Å; F56-I65 HydrophobicContact CZ-CG2 3.18Å; L60-I65 HydrophobicContact CB-CD1 4.4Å; L60-I65 HydrophobicContact CB-CG1 3.92Å; E61-I65 WeakPolarHBondContact O-CG1 3.4Å; E61-I65 PolarHBondContact O-N 2.9Å; I65-L68 PolarHBondContact O-N 3.44Å; I65-L69 HydrophobicContact CG2-CD1 4.35Å; I65-L69 PolarHBondContact O-N 3.22Å
66S84.2Confident83Confident14 Ų1450.2 Ų50.210%0.09828%0.278CS..Hα-helixtrans-59.9-47.9179.51610000111.6D62 L68 L69 S70 E111D62-S66 VanDerWaalsContact O-CB 3.3Å; D62-S66 WeakPolarHBondContact O-CB 3.34Å; D62-S66 PolarHBondContact O-N 3.22Å; S66-L68 PolarHBondContact O-N 2.89Å; S66-L69 PolarHBondContact O-N 3.32Å; S66-S70 VanDerWaalsContact O-CB 3.24Å; S66-S70 WeakPolarHBondContact O-CB 3.49Å; S66-S70 PolarHBondContact O-N 3.42Å; S66-E111 WeakPolarHBondContact CB-OE2 3.2Å; S66-E111 PolarHBondContact OG-OE1 2.76Å; S66-E111 PolarHBondContact OG-OE2 2.95Å
67S85.2Confident82.5Confident68 Ų6855.4 Ų55.448%0.47631%0.306SS..Hα-helixtrans-59.4-46.6178.1-1770000111.6N63 Q64 S70 S71N63-S67 WeakPolarHBondContact O-CB 3.37Å; N63-S67 PolarHBondContact O-N 2.95Å; Q64-S67 PolarHBondContact O-N 3.16Å; S67-S70 PolarHBondContact O-N 3.37Å; S67-S71 WeakPolarHBondContact O-CB 3.31Å; S67-S71 PolarHBondContact O-N 2.95Å; S67-S71 PolarHBondContact O-OG 2.71Å
68L82.7Confident82.2Confident63 Ų6351.5 Ų51.533%0.3329%0.288SS..Hα-helixtrans-62.5-48.3-179.9-76.8169.2000112.6L3 L60 Q64 I65 S66 S70 A72L3-L68 HydrophobicContact CB-CD1 4.39Å; L3-L68 HydrophobicContact CB-CD2 4.35Å; L3-L68 HydrophobicContact CD1-CB 4.32Å; L3-L68 HydrophobicContact CD2-CB 4.1Å; L3-L68 HydrophobicContact CD2-CD2 4.45Å; L60-L68 HydrophobicContact CD1-CD1 3.57Å; Q64-L68 VanDerWaalsContact O-CB 3.29Å; Q64-L68 WeakPolarHBondContact O-CB 3.3Å; Q64-L68 WeakPolarHBondContact O-CD1 3.41Å; Q64-L68 WeakPolarHBondContact O-CG 3.41Å; Q64-L68 PolarHBondContact O-N 3.42Å; I65-L68 PolarHBondContact O-N 3.44Å; S66-L68 PolarHBondContact O-N 2.89Å; L68-S70 VanDerWaalsContact C-N 3.34Å; L68-A72 WeakPolarHBondContact O-CB 3.35Å; L68-A72 PolarHBondContact O-N 3.24Å
69L85.4Confident82.1Confident0 Ų054 Ų540%030%0.299CS..Hα-helixtrans-65.2-39.6176.5-70.2-179000111.6L3 F30 M33 F56 I65 S66 A72 M73 Y112L3-L69 HydrophobicContact CD1-CD2 4.26Å; F30-L69 HydrophobicContact CE2-CD2 4.47Å; M33-L69 HydrophobicContact CE-CD2 3.58Å; M33-L69 HydrophobicContact CG-CD2 4.13Å; M33-L69 HydrophobicContact SD-CD2 4.13Å; F56-L69 HydrophobicContact CE1-CD1 3.79Å; F56-L69 HydrophobicContact CE1-CD2 4.46Å; F56-L69 HydrophobicContact CE1-CG 4.29Å; F56-L69 HydrophobicContact CZ-CD1 3.82Å; I65-L69 HydrophobicContact CG2-CD1 4.35Å; I65-L69 PolarHBondContact O-N 3.22Å; S66-L69 PolarHBondContact O-N 3.32Å; L69-A72 PolarHBondContact O-N 3Å; L69-M73 WeakPolarHBondContact O-CB 3.35Å; L69-M73 PolarHBondContact O-N 3.12Å; L69-Y112 HydrophobicContact CB-CE1 3.8Å; L69-Y112 HydrophobicContact CD1-CE1 3.87Å
70S87.1Confident81.7Confident8 Ų852 Ų526%0.05628%0.283CS..Hα-helixtrans-65.1-44.2178.5-171.50000112.1S66 S67 L68 M73 K74 E111S66-S70 VanDerWaalsContact O-CB 3.24Å; S66-S70 WeakPolarHBondContact O-CB 3.49Å; S66-S70 PolarHBondContact O-N 3.42Å; S67-S70 PolarHBondContact O-N 3.37Å; L68-S70 VanDerWaalsContact C-N 3.34Å; S70-M73 PolarHBondContact O-N 3.39Å; S70-K74 WeakPolarHBondContact O-CB 3.16Å; S70-K74 VanDerWaalsContact O-CG 3.28Å; S70-K74 WeakPolarHBondContact O-CG 3.17Å; S70-K74 PolarHBondContact O-N 3.48Å; S70-K74 WeakPolarHBondContact OG-CE 3.47Å; S70-K74 PolarHBondContact OG-NZ 3.28Å; S70-E111 WeakPolarHBondContact CA-O 3.38Å; S70-E111 WeakPolarHBondContact CB-O 3.29Å; S70-E111 WeakPolarHBondContact OG-CA 3.37Å; S70-E111 PolarHBondContact OG-O 3.34Å
71S86.4Confident80.8Confident73 Ų7356.1 Ų56.151%0.5131%0.314SS..Hα-helixtrans-61.8-46.1175.6-70.90000111.6S67 K74 S75S67-S71 WeakPolarHBondContact O-CB 3.31Å; S67-S71 PolarHBondContact O-N 2.95Å; S67-S71 PolarHBondContact O-OG 2.71Å; S71-K74 PolarHBondContact O-N 3.46Å; S71-S75 PolarHBondContact O-N 3.4Å; S71-S75 PolarHBondContact O-OG 2.99Å
72A84.5Confident80Confident3 Ų356 Ų563%0.02532%0.318CS..Hα-helixtrans-62.7-43.3176.900000111.4L3 F30 L68 L69 K74 S75 L76L3-A72 HydrophobicContact CD2-CB 4.15Å; F30-A72 HydrophobicContact CE2-CB 3.75Å; F30-A72 HydrophobicContact CZ-CB 3.51Å; L68-A72 WeakPolarHBondContact O-CB 3.35Å; L68-A72 PolarHBondContact O-N 3.24Å; L69-A72 PolarHBondContact O-N 3Å; A72-K74 PolarHBondContact O-N 3.25Å; A72-S75 WeakPolarHBondContact CA-OG 3.24Å; A72-S75 PolarHBondContact O-N 3.4Å; A72-S75 PolarHBondContact O-OG 3.16Å; A72-L76 WeakPolarHBondContact O-CG 3.35Å; A72-L76 PolarHBondContact O-N 2.87Å
73M85.1Confident79.6Confident25 Ų2554.5 Ų54.512%0.12332%0.315CS..Hα-helixtrans-62.5-43.8177.1-175.857.1-145.600112V34 L69 S70 S75 L76 L88V34-M73 HydrophobicContact CG1-SD 4.35Å; V34-M73 HydrophobicContact CG2-SD 4.41Å; L69-M73 WeakPolarHBondContact O-CB 3.35Å; L69-M73 PolarHBondContact O-N 3.12Å; S70-M73 PolarHBondContact O-N 3.39Å; M73-S75 VanDerWaalsContact C-N 3.27Å; M73-S75 PolarHBondContact O-N 3.22Å; M73-L76 WeakPolarHBondContact O-CB 3.46Å; M73-L76 PolarHBondContact O-N 3.29Å; M73-L76 VanDerWaalsContact O-N 3.15Å; M73-L88 HydrophobicContact CE-CD2 3.3Å; M73-L88 HydrophobicContact CE-CG 4.43Å; M73-L88 HydrophobicContact SD-CD2 3.35Å; M73-L88 WeakPolarHBondContact SD-CD2 3.45Å
74K84.1Confident79.6Confident128 Ų12849.8 Ų49.856%0.55729%0.29SS*.Hα-helixtrans-66.2-28176.3-75167.8179.1155.40112.7S70 S71 A72 L76 E110S70-K74 WeakPolarHBondContact O-CB 3.16Å; S70-K74 VanDerWaalsContact O-CG 3.28Å; S70-K74 WeakPolarHBondContact O-CG 3.17Å; S70-K74 PolarHBondContact O-N 3.48Å; S70-K74 WeakPolarHBondContact OG-CE 3.47Å; S70-K74 PolarHBondContact OG-NZ 3.28Å; S71-K74 PolarHBondContact O-N 3.46Å; A72-K74 PolarHBondContact O-N 3.25Å; K74-L76 VanDerWaalsContact C-N 3.3Å; K74-E110 WeakPolarHBondContact CE-O 3.28Å; K74-E110 PolarHBondContact NZ-O 2.98Å; K74-E110 VanDerWaalsContact NZ-O 3.11Å
75S81.8Confident79.7Confident36 Ų3648 Ų4825%0.25228%0.282SS..Hα-helixtrans-75.1-17.6174.659.80000113.8S71 A72 M73 N77S71-S75 PolarHBondContact O-N 3.4Å; S71-S75 PolarHBondContact O-OG 2.99Å; A72-S75 WeakPolarHBondContact CA-OG 3.24Å; A72-S75 PolarHBondContact O-N 3.4Å; A72-S75 PolarHBondContact O-OG 3.16Å; M73-S75 VanDerWaalsContact C-N 3.27Å; M73-S75 PolarHBondContact O-N 3.22Å; S75-N77 PolarHBondContact O-N 2.73Å
76L80.6Confident79.9Confident16 Ų1648.2 Ų48.28%0.08428%0.283CS..  trans-77.245.4177.7-55.7-166.5000113.6F30 A72 M73 K74 Y78 L86 L365F30-L76 HydrophobicContact CD1-CD1 3.68Å; F30-L76 HydrophobicContact CE1-CD1 3.41Å; F30-L76 VanDerWaalsContact CE1-CD1 3.41Å; F30-L76 HydrophobicContact CE1-CG 4.21Å; F30-L76 HydrophobicContact CZ-CD1 4.49Å; A72-L76 WeakPolarHBondContact O-CG 3.35Å; A72-L76 PolarHBondContact O-N 2.87Å; M73-L76 WeakPolarHBondContact O-CB 3.46Å; M73-L76 PolarHBondContact O-N 3.29Å; M73-L76 VanDerWaalsContact O-N 3.15Å; K74-L76 VanDerWaalsContact C-N 3.3Å; L76-Y78 HydrophobicContact CB-CE2 4.03Å; L76-Y78 HydrophobicContact CD2-CE2 3.69Å; L76-Y78 WeakPolarHBondContact CD2-OH 3.39Å; L76-Y78 HydrophobicContact CG-CE2 4.42Å; L76-L86 HydrophobicContact CB-CD2 3.9Å; L76-L86 HydrophobicContact CD1-CD2 4.31Å; L76-L365 HydrophobicContact CD1-CD2 3.81Å; L76-L365 HydrophobicContact CD2-CD1 4.27Å; L76-L365 HydrophobicContact CD2-CD2 3.59Å; L76-L365 HydrophobicContact CG-CD2 4.38Å
77N74.6Confident80.1Confident115 Ų11548.4 Ų48.462%0.61528%0.281SS*.  trans-103.480.7171.7-17113.3000110.1S75S75-N77 PolarHBondContact O-N 2.73Å
78Y74.2Confident80.2Confident3 Ų347 Ų471%0.01227%0.268CS..  trans-101.8-3.1179.3-50.6-79.9000114.4L76 T80 C84 L86 K222 L223 D358 L365L76-Y78 HydrophobicContact CB-CE2 4.03Å; L76-Y78 HydrophobicContact CD2-CE2 3.69Å; L76-Y78 WeakPolarHBondContact CD2-OH 3.39Å; L76-Y78 HydrophobicContact CG-CE2 4.42Å; Y78-T80 VanDerWaalsContact C-N 3.33Å; Y78-T80 WeakPolarHBondContact O-CG2 3.47Å; Y78-T80 PolarHBondContact O-N 3.44Å; Y78-T80 PolarHBondContact O-OG1 3.41Å; Y78-T80 VanDerWaalsContact O-OG1 3.1Å; Y78-C84 VanDerWaalsContact CB-SG 3.53Å; Y78-L86 HydrophobicContact CD2-CB 4.03Å; Y78-L86 HydrophobicContact CD2-CD2 3.5Å; Y78-L86 VanDerWaalsContact CD2-CD2 3.5Å; Y78-L86 HydrophobicContact CD2-CG 4.35Å; Y78-L86 HydrophobicContact CE2-CD2 3.76Å; Y78-K222 HydrophobicContact CE1-CB 3.88Å; Y78-K222 HydrophobicContact CE1-CD 4.12Å; Y78-L223 HydrophobicContact CD1-CD1 3.75Å; Y78-L223 HydrophobicContact CD1-CD2 4.48Å; Y78-L223 HydrophobicContact CD1-CG 3.99Å; Y78-L223 HydrophobicContact CD2-CD1 4.27Å; Y78-L223 HydrophobicContact CE1-CD1 3.97Å; Y78-L223 HydrophobicContact CE1-CD2 3.86Å; Y78-L223 HydrophobicContact CE1-CG 3.72Å; Y78-L223 HydrophobicContact CE2-CD1 4.44Å; Y78-L223 HydrophobicContact CE2-CD2 4.16Å; Y78-L223 HydrophobicContact CG-CD1 3.92Å; Y78-D358 VanDerWaalsContact OH-CB 3.31Å; Y78-D358 WeakPolarHBondContact OH-CB 3.48Å; Y78-D358 PolarHBondContact OH-OD1 3.02Å; Y78-L365 HydrophobicContact CE2-CD1 4.23Å
79N71.5Confident80.6Confident72 Ų7244.1 Ų44.139%0.38525%0.253SS..  trans-62.997.9177.3-70.1-40.1000108.7E85 L86N79-E85 WeakPolarHBondContact OD1-CA 3.4Å; N79-L86 PolarHBondContact ND2-O 2.97Å; N79-L86 PolarHBondContact OD1-N 2.96Å; N79-L86 PolarHBondContact OD1-O 3.18Å
80T65.1Low80.8Confident72 Ų7244.6 Ų44.644%0.44226%0.256SS..BIsolated β-bridgetrans-131.3153.4-174.653.30000108.7Y78 N82 C84Y78-T80 VanDerWaalsContact C-N 3.33Å; Y78-T80 WeakPolarHBondContact O-CG2 3.47Å; Y78-T80 PolarHBondContact O-N 3.44Å; Y78-T80 PolarHBondContact O-OG1 3.41Å; Y78-T80 VanDerWaalsContact O-OG1 3.1Å; T80-N82 PolarHBondContact O-N 3.16Å; T80-C84 PolarHBondContact N-O 2.92Å
81S62.1Low81.2Confident121 Ų12146 Ų4685%0.84626%0.26SS*.THydrogen-bonded Turntrans-61.7-11175.449.70000113.9G83S81-G83 VanDerWaalsContact C-N 3.33Å; S81-G83 PolarHBondContact O-N 2.92Å
82N68.2Low81.7Confident118 Ų11842.5 Ų42.563%0.63124%0.235SC*.THydrogen-bonded Turntrans-94.818.8-168-61.70.1000113.2T80 V219T80-N82 PolarHBondContact O-N 3.16Å; N82-V219 WeakPolarHBondContact O-CG2 3.21Å
83G77.6Confident82.3Confident22 Ų2242.3 Ų42.323%0.22723%0.234CC..THydrogen-bonded Turntrans87.230.8175.200000114.7S81 A168 N169S81-G83 VanDerWaalsContact C-N 3.33Å; S81-G83 PolarHBondContact O-N 2.92Å; G83-A168 CarbonylContact O-C 3.59Å; G83-A168 VanDerWaalsContact O-CA 3.28Å; G83-A168 WeakPolarHBondContact O-CA 3.26Å; G83-N169 PolarHBondContact O-N 3.4Å
84C83.2Confident82.8Confident0 Ų041.1 Ų41.10%023%0.228CC..EExtended strand (participates in β ladder)trans-120.1124.6165.8-169.50000109.8Y78 T80 K167 A168Y78-C84 VanDerWaalsContact CB-SG 3.53Å; T80-C84 PolarHBondContact N-O 2.92Å; C84-K167 CarbonylContact C-O 3.6Å; C84-K167 WeakPolarHBondContact CA-O 3.17Å; C84-A168 HydrophobicContact CB-CB 4.23Å
85E86.3Confident83.3Confident49 Ų4936.1 Ų36.123%0.22921%0.207CC..EExtended strand (participates in β ladder)trans-124.3122.7177.8-61.5-178.5-127.600108.6N79 Y87 Y165 F166 K167N79-E85 WeakPolarHBondContact OD1-CA 3.4Å; E85-Y87 HydrophobicContact CB-CE2 4Å; E85-Y87 WeakPolarHBondContact OE2-CE2 3.25Å; E85-Y87 VanDerWaalsContact OE2-CZ 3.29Å; E85-Y87 PolarHBondContact OE2-OH 2.89Å; E85-Y165 HydrophobicContact CB-CE1 4.31Å; E85-F166 WeakPolarHBondContact O-CA 3.42Å; E85-K167 HydrophobicContact CB-CB 4.27Å; E85-K167 PolarHBondContact N-O 3.38Å; E85-K167 PolarHBondContact O-N 2.88Å; E85-K167 VanDerWaalsContact OE1-CE 3.32Å; E85-K167 WeakPolarHBondContact OE1-CE 3.39Å
86L87.7Confident83.8Confident7 Ų738.6 Ų38.64%0.03722%0.217CC..EExtended strand (participates in β ladder)trans-130.1113.1169.5-17575.9000108.1L76 Y78 N79 I164 Y165 F166 F366L76-L86 HydrophobicContact CB-CD2 3.9Å; L76-L86 HydrophobicContact CD1-CD2 4.31Å; Y78-L86 HydrophobicContact CD2-CB 4.03Å; Y78-L86 HydrophobicContact CD2-CD2 3.5Å; Y78-L86 VanDerWaalsContact CD2-CD2 3.5Å; Y78-L86 HydrophobicContact CD2-CG 4.35Å; Y78-L86 HydrophobicContact CE2-CD2 3.76Å; N79-L86 PolarHBondContact ND2-O 2.97Å; N79-L86 PolarHBondContact OD1-N 2.96Å; N79-L86 PolarHBondContact OD1-O 3.18Å; L86-I164 HydrophobicContact CD1-CD1 4.03Å; L86-I164 HydrophobicContact CD1-CG1 4.03Å; L86-Y165 WeakPolarHBondContact CA-O 3.19Å; L86-F166 HydrophobicContact CD1-CB 4Å; L86-F166 HydrophobicContact CD1-CD2 3.77Å; L86-F166 HydrophobicContact CD1-CG 4.36Å; L86-F366 HydrophobicContact CD1-CE2 4.22Å; L86-F366 HydrophobicContact CD1-CZ 4.28Å
87Y88Confident84.2Confident18 Ų1843.5 Ų43.57%0.07124%0.243CC..EExtended strand (participates in β ladder)trans-112.2119.2173.8-52.7-56.9000109.2E85 K140 I164 Y165E85-Y87 HydrophobicContact CB-CE2 4Å; E85-Y87 WeakPolarHBondContact OE2-CE2 3.25Å; E85-Y87 VanDerWaalsContact OE2-CZ 3.29Å; E85-Y87 PolarHBondContact OE2-OH 2.89Å; Y87-K140 HydrophobicContact CE1-CD 3.93Å; Y87-K140 VanDerWaalsContact CE1-CE 3.49Å; Y87-K140 HydrophobicContact CE1-CG 4.33Å; Y87-K140 HydrophobicContact CE2-CB 4.45Å; Y87-K140 HydrophobicContact CE2-CD 4.07Å; Y87-K140 HydrophobicContact CE2-CG 4.31Å; Y87-K140 WeakPolarHBondContact OH-CD 3.31Å; Y87-K140 WeakPolarHBondContact OH-CE 3.13Å; Y87-K140 PolarHBondContact OH-NZ 3.33Å; Y87-I164 VanDerWaalsContact O-CA 3.31Å; Y87-I164 WeakPolarHBondContact O-CA 3.34Å; Y87-Y165 AromaticContact CD2-CD1 3.5Å; Y87-Y165 HydrophobicContact CD2-CD1 3.5Å; Y87-Y165 VanDerWaalsContact CD2-CD1 3.5Å; Y87-Y165 HydrophobicContact CD2-CE1 4.23Å; Y87-Y165 HydrophobicContact CD2-CG 4.22Å; Y87-Y165 AromaticContact CE2-CD1 3.87Å; Y87-Y165 HydrophobicContact CE2-CD1 3.87Å; Y87-Y165 HydrophobicContact CE2-CE1 4.15Å; Y87-Y165 PolarHBondContact N-O 3.24Å; Y87-Y165 PolarHBondContact O-N 2.89Å
88L88.2Confident84.9Confident39 Ų3938.5 Ų38.520%0.20422%0.216CC..EExtended strand (participates in β ladder)trans-113.1127.2175.6-17666000109.2S31 M73 N90 I164S31-L88 WeakPolarHBondContact OG-CD1 3.33Å; M73-L88 HydrophobicContact CE-CD2 3.3Å; M73-L88 HydrophobicContact CE-CG 4.43Å; M73-L88 HydrophobicContact SD-CD2 3.35Å; M73-L88 WeakPolarHBondContact SD-CD2 3.45Å; L88-N90 WeakPolarHBondContact CD2-ND2 3.49Å; L88-N90 VanDerWaalsContact CG-ND2 3.32Å; L88-N90 WeakPolarHBondContact CG-ND2 3.38Å; L88-I164 HydrophobicContact CD1-CB 3.87Å; L88-I164 HydrophobicContact CD1-CD1 4.08Å; L88-I164 HydrophobicContact CD1-CG1 4Å
89A90.1Very high85.7Confident1 Ų144.6 Ų44.61%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-12498.317900000109.6W134 I135 K138 T139 A163A89-W134 HydrophobicContact CB-CH2 4.12Å; A89-W134 HydrophobicContact CB-CZ3 3.84Å; A89-I135 HydrophobicContact CB-CD1 3.8Å; A89-K138 HydrophobicContact CB-CB 3.73Å; A89-K138 HydrophobicContact CB-CG 4.49Å; A89-T139 HydrophobicContact CB-CG2 4.23Å; A89-A163 HydrophobicContact CB-CB 4.33Å; A89-A163 PolarHBondContact N-O 3.2Å; A89-A163 PolarHBondContact O-N 3.15Å
90N90.1Very high86.8Confident11 Ų1142 Ų426%0.05923%0.231CC..EExtended strand (participates in β ladder)trans-115.8121.1180-62.9-25.4000110V34 M38 L88 A114 N162V34-N90 WeakPolarHBondContact CG1-ND2 3.43Å; M38-N90 HydrophobicContact CE-CB 4.17Å; M38-N90 HydrophobicContact SD-CB 4.11Å; L88-N90 WeakPolarHBondContact CD2-ND2 3.49Å; L88-N90 VanDerWaalsContact CG-ND2 3.32Å; L88-N90 WeakPolarHBondContact CG-ND2 3.38Å; N90-A114 HydrophobicContact CB-CB 4.33Å; N90-N162 PolarHBondContact OD1-ND2 2.91Å
91R95.5Very high88.3Confident36 Ų3641.1 Ų41.114%0.13622%0.223CC..EExtended strand (participates in β ladder)trans-151.6144.4175.9-178.8166.1-77.2-167.40.7111.5Y93 D115 E117 W134 T161R91-Y93 HydrophobicContact CB-CE2 3.9Å; R91-Y93 WeakPolarHBondContact CD-OH 3.5Å; R91-Y93 HydrophobicContact CG-CD1 4.44Å; R91-Y93 HydrophobicContact CG-CD2 4.2Å; R91-Y93 HydrophobicContact CG-CE1 4.02Å; R91-Y93 HydrophobicContact CG-CE2 3.74Å; R91-D115 WeakPolarHBondContact CG-O 3.34Å; R91-E117 IonicContact CZ-OE2 2.68Å; R91-E117 IonicContact NH1-OE2 3.14Å; R91-E117 PolarHBondContact NH1-OE2 2.78Å; R91-W134 HydrophobicContact CB-CE3 4.25Å; R91-W134 HydrophobicContact CB-CH2 3.55Å; R91-W134 HydrophobicContact CB-CZ2 4.17Å; R91-W134 HydrophobicContact CB-CZ3 3.58Å; R91-W134 VanDerWaalsContact NH1-NE1 3.15Å; R91-T161 PolarHBondContact N-O 2.95Å; R91-T161 PolarHBondContact O-N 3.38Å; R91-T161 PolarHBondContact O-OG1 2.91Å
92L96.6Very high89.9Confident0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-93.3142166-70.3169.4000109.3M38 F104 D115 I116 E117 L158 V159 L160M38-L92 HydrophobicContact CE-CD2 4.27Å; M38-L92 HydrophobicContact CE-CG 4.03Å; M38-L92 HydrophobicContact SD-CG 4.44Å; L92-F104 HydrophobicContact CD1-CE1 4.11Å; L92-F104 HydrophobicContact CD1-CZ 3.6Å; L92-D115 PolarHBondContact N-O 2.71Å; L92-D115 VanDerWaalsContact N-O 3.13Å; L92-I116 HydrophobicContact CB-CB 4.03Å; L92-I116 HydrophobicContact CB-CD1 4.06Å; L92-I116 HydrophobicContact CB-CG1 3.89Å; L92-I116 VanDerWaalsContact O-CA 3.3Å; L92-I116 WeakPolarHBondContact O-CA 3.31Å; L92-E117 PolarHBondContact O-N 3.49Å; L92-L158 HydrophobicContact CB-CD1 4.22Å; L92-L158 HydrophobicContact CD2-CD1 4.24Å; L92-L158 HydrophobicContact CD2-CG 4.45Å; L92-V159 WeakPolarHBondContact CA-O 3.46Å; L92-L160 HydrophobicContact CD2-CB 4.37Å; L92-L160 HydrophobicContact CD2-CD1 3.66Å
93Y97.2Very high91.3Very high0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-123.5114.4172.9-62.1-88.7000110.4R91 E117 L119 I131 L158 V159 T161R91-Y93 HydrophobicContact CB-CE2 3.9Å; R91-Y93 WeakPolarHBondContact CD-OH 3.5Å; R91-Y93 HydrophobicContact CG-CD1 4.44Å; R91-Y93 HydrophobicContact CG-CD2 4.2Å; R91-Y93 HydrophobicContact CG-CE1 4.02Å; R91-Y93 HydrophobicContact CG-CE2 3.74Å; Y93-E117 CarbonylContact C-O 3.38Å; Y93-E117 VanDerWaalsContact CA-O 3.26Å; Y93-E117 WeakPolarHBondContact CA-O 3.41Å; Y93-E117 HydrophobicContact CD1-CB 3.81Å; Y93-E117 HydrophobicContact CD1-CG 4.31Å; Y93-E117 HydrophobicContact CE1-CB 3.95Å; Y93-E117 HydrophobicContact CE1-CG 4.35Å; Y93-E117 WeakPolarHBondContact CE1-OE2 3.13Å; Y93-L119 HydrophobicContact CD1-CD1 3.44Å; Y93-L119 VanDerWaalsContact CD1-CD1 3.44Å; Y93-L119 HydrophobicContact CD1-CG 3.99Å; Y93-L119 HydrophobicContact CE1-CD1 4.08Å; Y93-L119 HydrophobicContact CG-CD1 4.09Å; Y93-I131 HydrophobicContact CD1-CD1 4.37Å; Y93-I131 HydrophobicContact CD1-CG1 3.88Å; Y93-I131 HydrophobicContact CD2-CD1 4Å; Y93-I131 HydrophobicContact CD2-CG1 3.91Å; Y93-I131 HydrophobicContact CD2-CG2 4.39Å; Y93-I131 HydrophobicContact CE1-CG1 3.75Å; Y93-I131 HydrophobicContact CE2-CB 4.29Å; Y93-I131 HydrophobicContact CE2-CD1 4.33Å; Y93-I131 HydrophobicContact CE2-CG1 3.78Å; Y93-I131 HydrophobicContact CE2-CG2 3.76Å; Y93-I131 HydrophobicContact CG-CD1 4Å; Y93-I131 HydrophobicContact CG-CG1 3.93Å; Y93-L158 CarbonylContact O-C 3.59Å; Y93-L158 WeakPolarHBondContact O-CA 3.36Å; Y93-V159 PolarHBondContact N-O 3.36Å; Y93-V159 PolarHBondContact O-N 3.31Å; Y93-T161 HydrophobicContact CD2-CG2 3.78Å; Y93-T161 HydrophobicContact CE2-CG2 3.7Å; Y93-T161 WeakPolarHBondContact CE2-OG1 3.31Å
94G95.4Very high92.1Very high0 Ų040.1 Ų40.10%020%0.204CC..EExtended strand (participates in β ladder)trans-95.5155.6178.400000112.9E117 V118 L119 R157G94-E117 PolarHBondContact N-O 3.02Å; G94-V118 CarbonylContact O-C 3.58Å; G94-V118 WeakPolarHBondContact O-CA 3.44Å; G94-L119 PolarHBondContact O-N 3.37Å; G94-R157 CarbonylContact C-O 3.45Å; G94-R157 WeakPolarHBondContact CA-O 2.84Å
95H95.2Very high92.8Very high22 Ų2244.5 Ų44.510%0.10222%0.221CC..EExtended strand (participates in β ladder)trans-62.4154.3170-174.8-95.4000111.6D97 L98 V118 L119 F121 R157 F304H95-D97 IonicContact CE1-OD2 3.05Å; H95-D97 PolarHBondContact CE1-OD2 2.74Å; H95-D97 PolarHBondContact ND1-N 3.21Å; H95-D97 IonicContact ND1-OD2 2.88Å; H95-D97 PolarHBondContact ND1-OD2 3.14Å; H95-D97 PolarHBondContact O-N 3.12Å; H95-D97 VanDerWaalsContact O-N 3.09Å; H95-L98 WeakPolarHBondContact O-CB 3.46Å; H95-L98 PolarHBondContact O-N 3.45Å; H95-V118 WeakPolarHBondContact O-CG1 3.41Å; H95-L119 CarbonylContact C-O 3.53Å; H95-L119 WeakPolarHBondContact CA-O 3.32Å; H95-F121 HydrophobicContact CB-CD2 4.05Å; H95-F121 HydrophobicContact CB-CE2 4.42Å; H95-R157 PolarHBondContact N-O 2.85Å; H95-F304 HydrophobicContact CB-CE1 4.2Å
96L93Very high93.3Very high89 Ų8947.7 Ų47.747%0.46623%0.234SC..THydrogen-bonded Turntrans-53.8-35.3-172.599.284.8000114.4L98 V118 L119 N120L96-L98 PolarHBondContact O-N 2.92Å; L96-V118 HydrophobicContact CB-CG1 4.4Å; L96-V118 WeakPolarHBondContact O-CG1 3.46Å; L96-L119 PolarHBondContact N-O 3.05Å; L96-N120 HydrophobicContact CD2-CB 4.19Å
97D89.2Confident93.5Very high118 Ų11850.4 Ų50.463%0.63124%0.244SC*.THydrogen-bonded Turntrans-76.6-0.2-179.4-53.6-38.9000113.5H95 H99H95-D97 IonicContact CE1-OD2 3.05Å; H95-D97 PolarHBondContact CE1-OD2 2.74Å; H95-D97 PolarHBondContact ND1-N 3.21Å; H95-D97 IonicContact ND1-OD2 2.88Å; H95-D97 PolarHBondContact ND1-OD2 3.14Å; H95-D97 PolarHBondContact O-N 3.12Å; H95-D97 VanDerWaalsContact O-N 3.09Å; D97-H99 PolarHBondContact O-N 2.76Å
98L87.6Confident93.8Very high10 Ų1049.6 Ų49.65%0.05224%0.24CC..  trans-74.5108.3-177.5-165.3154.9000110.5H95 L96 V100 I116 I298 T299 F304H95-L98 WeakPolarHBondContact O-CB 3.46Å; H95-L98 PolarHBondContact O-N 3.45Å; L96-L98 PolarHBondContact O-N 2.92Å; L98-V100 HydrophobicContact CD2-CB 4.12Å; L98-V100 HydrophobicContact CD2-CG2 3.24Å; L98-V100 PolarHBondContact O-N 2.83Å; L98-I116 HydrophobicContact CD1-CD1 4.49Å; L98-I116 HydrophobicContact CD2-CD1 4.25Å; L98-I298 HydrophobicContact CD1-CG2 4.49Å; L98-I298 HydrophobicContact CD2-CG2 4.16Å; L98-T299 HydrophobicContact CD1-CG2 3.92Å; L98-T299 HydrophobicContact CD2-CG2 3.75Å; L98-T299 HydrophobicContact CG-CG2 3.51Å; L98-F304 HydrophobicContact CB-CE1 3.83Å; L98-F304 HydrophobicContact CB-CE2 4.44Å; L98-F304 HydrophobicContact CB-CZ 3.63Å; L98-F304 HydrophobicContact CD1-CD1 3.67Å; L98-F304 HydrophobicContact CD1-CE1 3.53Å; L98-F304 HydrophobicContact CD1-CE2 4.44Å; L98-F304 HydrophobicContact CD1-CG 4.21Å; L98-F304 HydrophobicContact CD1-CZ 3.94Å; L98-F304 HydrophobicContact CG-CD1 4.38Å; L98-F304 HydrophobicContact CG-CE1 3.86Å; L98-F304 HydrophobicContact CG-CE2 4.17Å; L98-F304 HydrophobicContact CG-CZ 3.74Å
99H91.3Very high94.1Very high132 Ų13251.9 Ų51.961%0.61125%0.25SS*.  trans-79.6102.2167.1-176.173.6000110.2D97 L101 T299D97-H99 PolarHBondContact O-N 2.76Å; H99-L101 PolarHBondContact O-N 2.8Å; H99-T299 VanDerWaalsContact O-CA 3.29Å; H99-T299 WeakPolarHBondContact O-CA 3.4Å
100V94.9Very high94.1Very high18 Ų1856.9 Ų56.911%0.10927%0.273CS..  trans-75.3122179.8-176.60000109.9L98 F104 R105 I116 V118L98-V100 HydrophobicContact CD2-CB 4.12Å; L98-V100 HydrophobicContact CD2-CG2 3.24Å; L98-V100 PolarHBondContact O-N 2.83Å; V100-F104 HydrophobicContact CG1-CD1 4.06Å; V100-R105 HydrophobicContact CG1-CB 4.04Å; V100-I116 HydrophobicContact CB-CG2 4.32Å; V100-I116 HydrophobicContact CG1-CG2 3.51Å; V100-I116 HydrophobicContact CG2-CD1 4.18Å; V100-I116 HydrophobicContact CG2-CG1 4.32Å; V100-I116 HydrophobicContact CG2-CG2 3.8Å; V100-V118 HydrophobicContact CG2-CG2 4.09Å
101L96.5Very high94.1Very high52 Ų5257.6 Ų57.627%0.27228%0.276SS..  trans-62.3129.7172.5-67.7179.5000110.6H99 E103 F104 R105 I298H99-L101 PolarHBondContact O-N 2.8Å; L101-E103 PolarHBondContact O-N 3.3Å; L101-F104 HydrophobicContact CB-CB 4.4Å; L101-F104 PolarHBondContact O-N 3Å; L101-F104 VanDerWaalsContact O-N 3.11Å; L101-R105 PolarHBondContact O-N 3.38Å; L101-I298 WeakPolarHBondContact CG-O 3.27Å; L101-I298 PolarHBondContact N-O 2.54Å
102P96.9Very high93.8Very high99 Ų9956 Ų5664%0.64327%0.271SS*.Hα-helixtrans-56.9-36180-27.634.9000113.7R105 K106P102-R105 PolarHBondContact O-N 3.05Å; P102-K106 WeakPolarHBondContact O-CB 3.16Å; P102-K106 PolarHBondContact O-N 2.95Å
103E96.2Very high93.5Very high136 Ų13660.5 Ų60.564%0.63630%0.301SS*.Hα-helixtrans-61.3-44.7177.8-171-171.215900111.6L101 K106 R107L101-E103 PolarHBondContact O-N 3.3Å; E103-K106 PolarHBondContact O-N 3.08Å; E103-R107 VanDerWaalsContact O-CG 3.31Å; E103-R107 WeakPolarHBondContact O-CG 3.25Å; E103-R107 PolarHBondContact O-N 3.11Å
104F95.9Very high93.2Very high5 Ų560.7 Ų60.72%0.02230%0.303CS..Hα-helixtrans-62.4-50.8178172.2-103.5000111.6V41 L92 V100 L101 K106 R107 I108 I116 K297 I298V41-F104 HydrophobicContact CB-CD2 4.46Å; V41-F104 HydrophobicContact CB-CE2 4.2Å; V41-F104 HydrophobicContact CG1-CD2 3.97Å; V41-F104 HydrophobicContact CG1-CE2 4.19Å; L92-F104 HydrophobicContact CD1-CE1 4.11Å; L92-F104 HydrophobicContact CD1-CZ 3.6Å; V100-F104 HydrophobicContact CG1-CD1 4.06Å; L101-F104 HydrophobicContact CB-CB 4.4Å; L101-F104 PolarHBondContact O-N 3Å; L101-F104 VanDerWaalsContact O-N 3.11Å; F104-K106 VanDerWaalsContact C-N 3.32Å; F104-K106 PolarHBondContact O-N 3.38Å; F104-R107 PolarHBondContact O-N 3.07Å; F104-I108 HydrophobicContact CD1-CD1 4.46Å; F104-I108 HydrophobicContact CD2-CG2 4.27Å; F104-I108 HydrophobicContact CE1-CD1 3.8Å; F104-I108 HydrophobicContact CE1-CG2 4.39Å; F104-I108 HydrophobicContact CE2-CG2 3.68Å; F104-I108 HydrophobicContact CZ-CD1 4.05Å; F104-I108 HydrophobicContact CZ-CG2 3.76Å; F104-I108 PolarHBondContact O-N 3.09Å; F104-I116 HydrophobicContact CD1-CG2 4.41Å; F104-I116 HydrophobicContact CE1-CB 4.42Å; F104-I116 HydrophobicContact CE1-CD1 4.21Å; F104-I116 HydrophobicContact CE1-CG2 4.13Å; F104-K297 WeakPolarHBondContact CB-O 3.5Å; F104-I298 HydrophobicContact CD1-CB 4.37Å; F104-I298 HydrophobicContact CD1-CG1 4.31Å; F104-I298 HydrophobicContact CD1-CG2 3.93Å; F104-I298 HydrophobicContact CD2-CG1 4.09Å; F104-I298 HydrophobicContact CE1-CB 4.47Å; F104-I298 HydrophobicContact CE1-CD1 4.35Å; F104-I298 HydrophobicContact CE1-CG1 4.1Å; F104-I298 HydrophobicContact CE1-CG2 3.9Å; F104-I298 HydrophobicContact CE2-CD1 4.33Å; F104-I298 HydrophobicContact CE2-CG1 3.89Å; F104-I298 HydrophobicContact CG-CG1 4.31Å; F104-I298 HydrophobicContact CZ-CD1 3.98Å; F104-I298 HydrophobicContact CZ-CG1 3.88Å
105R96.7Very high93.1Very high92 Ų9262.7 Ų62.735%0.34731%0.314SS..Hα-helixtrans-56.9-47.4178.7176.3174.1-83.8158.81.3111V100 L101 P102 R107 I108 Q109 D115 I116V100-R105 HydrophobicContact CG1-CB 4.04Å; L101-R105 PolarHBondContact O-N 3.38Å; P102-R105 PolarHBondContact O-N 3.05Å; R105-R107 VanDerWaalsContact C-N 3.33Å; R105-R107 PolarHBondContact O-N 3.31Å; R105-I108 VanDerWaalsContact O-CG1 3.27Å; R105-I108 WeakPolarHBondContact O-CG1 3.33Å; R105-I108 PolarHBondContact O-N 3.4Å; R105-Q109 HydrophobicContact CG-CG 4.37Å; R105-Q109 WeakPolarHBondContact O-CB 3.43Å; R105-Q109 VanDerWaalsContact O-CG 3.25Å; R105-Q109 WeakPolarHBondContact O-CG 3.04Å; R105-Q109 PolarHBondContact O-N 3.46Å; R105-Q109 VanDerWaalsContact O-N 3.08Å; R105-D115 IonicContact NE-OD1 2.81Å; R105-D115 PolarHBondContact NE-OD1 3.41Å; R105-I116 PolarHBondContact NH2-O 3.28Å
106K96.2Very high93.1Very high116 Ų11661.6 Ų61.650%0.50431%0.309SS..Hα-helixtrans-56.1-48.3178.3-179-178.1175.7-175.30111.3P102 E103 F104 Q109 E110P102-K106 WeakPolarHBondContact O-CB 3.16Å; P102-K106 PolarHBondContact O-N 2.95Å; E103-K106 PolarHBondContact O-N 3.08Å; F104-K106 VanDerWaalsContact C-N 3.32Å; F104-K106 PolarHBondContact O-N 3.38Å; K106-Q109 PolarHBondContact O-N 3.05Å; K106-E110 VanDerWaalsContact CE-CD 3.44Å; K106-E110 WeakPolarHBondContact CE-OE1 3.46Å; K106-E110 WeakPolarHBondContact CE-OE2 2.79Å; K106-E110 HydrophobicContact CG-CG 4.37Å; K106-E110 IonicContact NZ-OE1 3.67Å; K106-E110 WeakPolarHBondContact O-CB 3.34Å; K106-E110 WeakPolarHBondContact O-CG 3.27Å; K106-E110 PolarHBondContact O-N 3.4Å
107R93.8Very high93.3Very high65 Ų6559 Ų5925%0.24529%0.294CS..Hα-helixtrans-63.2-45.1-178.7-72.3-176.766.8-176.6-1112.9V41 E103 F104 R105 Q109 E110 E111V41-R107 HydrophobicContact CG1-CB 4.01Å; E103-R107 VanDerWaalsContact O-CG 3.31Å; E103-R107 WeakPolarHBondContact O-CG 3.25Å; E103-R107 PolarHBondContact O-N 3.11Å; F104-R107 PolarHBondContact O-N 3.07Å; R105-R107 VanDerWaalsContact C-N 3.33Å; R105-R107 PolarHBondContact O-N 3.31Å; R107-Q109 VanDerWaalsContact C-N 3.28Å; R107-Q109 PolarHBondContact O-N 3.4Å; R107-E110 PolarHBondContact O-N 3.47Å; R107-E111 IonicContact CZ-OE1 3.58Å; R107-E111 IonicContact NE-OE1 3.64Å; R107-E111 PolarHBondContact NE-OE1 3.4Å; R107-E111 IonicContact NH2-OE1 2.7Å; R107-E111 PolarHBondContact NH2-OE1 3.49Å; R107-E111 IonicContact NH2-OE2 2.69Å; R107-E111 WeakPolarHBondContact O-CB 3.27Å; R107-E111 VanDerWaalsContact O-CG 3.32Å; R107-E111 WeakPolarHBondContact O-CG 3.47Å; R107-E111 PolarHBondContact O-N 3.05Å
108I93.5Very high93.7Very high0 Ų056 Ų560%028%0.28CS..Hα-helixtrans-68-30.4179.464.9170.3000112.7M38 V41 F104 R105 Y112 S113 A114 I116M38-I108 HydrophobicContact CB-CB 4.45Å; M38-I108 HydrophobicContact CB-CG2 3.98Å; V41-I108 HydrophobicContact CB-CG2 4.43Å; V41-I108 HydrophobicContact CG1-CG2 4.48Å; F104-I108 HydrophobicContact CD1-CD1 4.46Å; F104-I108 HydrophobicContact CD2-CG2 4.27Å; F104-I108 HydrophobicContact CE1-CD1 3.8Å; F104-I108 HydrophobicContact CE1-CG2 4.39Å; F104-I108 HydrophobicContact CE2-CG2 3.68Å; F104-I108 HydrophobicContact CZ-CD1 4.05Å; F104-I108 HydrophobicContact CZ-CG2 3.76Å; F104-I108 PolarHBondContact O-N 3.09Å; R105-I108 VanDerWaalsContact O-CG1 3.27Å; R105-I108 WeakPolarHBondContact O-CG1 3.33Å; R105-I108 PolarHBondContact O-N 3.4Å; I108-Y112 CarbonylContact O-C 3.53Å; I108-Y112 WeakPolarHBondContact O-CA 3.33Å; I108-Y112 WeakPolarHBondContact O-CB 3.4Å; I108-Y112 PolarHBondContact O-N 3.33Å; I108-Y112 VanDerWaalsContact O-N 3.08Å; I108-S113 PolarHBondContact O-N 3.05Å; I108-A114 CarbonylContact C-O 3.54Å; I108-A114 PolarHBondContact O-N 3.21Å; I108-A114 VanDerWaalsContact O-N 3.11Å; I108-I116 HydrophobicContact CD1-CB 4.24Å; I108-I116 HydrophobicContact CD1-CG2 4.22Å
109Q93.9Very high94.1Very high87 Ų8756.4 Ų56.441%0.40728%0.282SS..Hα-helixtrans-68.9-47173.8-72172.7-18.700111.7R105 K106 R107 S113 A114 D115R105-Q109 HydrophobicContact CG-CG 4.37Å; R105-Q109 WeakPolarHBondContact O-CB 3.43Å; R105-Q109 VanDerWaalsContact O-CG 3.25Å; R105-Q109 WeakPolarHBondContact O-CG 3.04Å; R105-Q109 PolarHBondContact O-N 3.46Å; R105-Q109 VanDerWaalsContact O-N 3.08Å; K106-Q109 PolarHBondContact O-N 3.05Å; R107-Q109 VanDerWaalsContact C-N 3.28Å; R107-Q109 PolarHBondContact O-N 3.4Å; Q109-S113 WeakPolarHBondContact O-CA 3.14Å; Q109-S113 PolarHBondContact O-N 3.36Å; Q109-A114 VanDerWaalsContact CA-O 3.29Å; Q109-A114 WeakPolarHBondContact CA-O 3.4Å; Q109-A114 WeakPolarHBondContact CG-O 3.37Å; Q109-A114 PolarHBondContact N-O 3.12Å; Q109-D115 PolarHBondContact NE2-OD1 3.03Å
110E91.5Very high94.4Very high106 Ų10653 Ų5350%0.49527%0.268SS..Hα-helixtrans-75.5-39-177-71.3177167.100113.6K74 K106 R107K74-E110 WeakPolarHBondContact CE-O 3.28Å; K74-E110 PolarHBondContact NZ-O 2.98Å; K74-E110 VanDerWaalsContact NZ-O 3.11Å; K106-E110 VanDerWaalsContact CE-CD 3.44Å; K106-E110 WeakPolarHBondContact CE-OE1 3.46Å; K106-E110 WeakPolarHBondContact CE-OE2 2.79Å; K106-E110 HydrophobicContact CG-CG 4.37Å; K106-E110 IonicContact NZ-OE1 3.67Å; K106-E110 WeakPolarHBondContact O-CB 3.34Å; K106-E110 WeakPolarHBondContact O-CG 3.27Å; K106-E110 PolarHBondContact O-N 3.4Å; R107-E110 PolarHBondContact O-N 3.47Å
111E89.8Confident94.5Very high27 Ų2752.1 Ų52.113%0.12626%0.263CS..Hα-helixtrans-87.8-38.4-173.8-62.3174.6-156.600111.6S66 S70 R107S66-E111 WeakPolarHBondContact CB-OE2 3.2Å; S66-E111 PolarHBondContact OG-OE1 2.76Å; S66-E111 PolarHBondContact OG-OE2 2.95Å; S70-E111 WeakPolarHBondContact CA-O 3.38Å; S70-E111 WeakPolarHBondContact CB-O 3.29Å; S70-E111 WeakPolarHBondContact OG-CA 3.37Å; S70-E111 PolarHBondContact OG-O 3.34Å; R107-E111 IonicContact CZ-OE1 3.58Å; R107-E111 IonicContact NE-OE1 3.64Å; R107-E111 PolarHBondContact NE-OE1 3.4Å; R107-E111 IonicContact NH2-OE1 2.7Å; R107-E111 PolarHBondContact NH2-OE1 3.49Å; R107-E111 IonicContact NH2-OE2 2.69Å; R107-E111 WeakPolarHBondContact O-CB 3.27Å; R107-E111 VanDerWaalsContact O-CG 3.32Å; R107-E111 WeakPolarHBondContact O-CG 3.47Å; R107-E111 PolarHBondContact O-N 3.05Å
112Y89Confident94.5Very high3 Ų351.9 Ų51.91%0.01227%0.274CS..Hα-helixtrans-121.9-1.4-169.8-59.2-87000114.7V34 M38 V41 L69 I108 A114V34-Y112 HydrophobicContact CG1-CD1 3.97Å; M38-Y112 HydrophobicContact CB-CD2 4.22Å; M38-Y112 HydrophobicContact CB-CG 4.19Å; V41-Y112 HydrophobicContact CG2-CE2 3.68Å; L69-Y112 HydrophobicContact CB-CE1 3.8Å; L69-Y112 HydrophobicContact CD1-CE1 3.87Å; I108-Y112 CarbonylContact O-C 3.53Å; I108-Y112 WeakPolarHBondContact O-CA 3.33Å; I108-Y112 WeakPolarHBondContact O-CB 3.4Å; I108-Y112 PolarHBondContact O-N 3.33Å; I108-Y112 VanDerWaalsContact O-N 3.08Å; Y112-A114 PolarHBondContact O-N 3.27Å; Y112-A114 VanDerWaalsContact O-N 3.15Å
113S88.7Confident94.5Very high93 Ų9351.8 Ų51.865%0.6527%0.265SS*.SBendtrans52.733.1-172.6-55.30000112.7I108 Q109I108-S113 PolarHBondContact O-N 3.05Å; Q109-S113 WeakPolarHBondContact O-CA 3.14Å; Q109-S113 PolarHBondContact O-N 3.36Å
114A91.6Very high94.5Very high5 Ų546.4 Ų46.44%0.04124%0.242CC..  trans-113.4169.1-177.900000110.7M38 N90 I108 Q109 Y112M38-A114 HydrophobicContact SD-CB 3.68Å; N90-A114 HydrophobicContact CB-CB 4.33Å; I108-A114 CarbonylContact C-O 3.54Å; I108-A114 PolarHBondContact O-N 3.21Å; I108-A114 VanDerWaalsContact O-N 3.11Å; Q109-A114 VanDerWaalsContact CA-O 3.29Å; Q109-A114 WeakPolarHBondContact CA-O 3.4Å; Q109-A114 WeakPolarHBondContact CG-O 3.37Å; Q109-A114 PolarHBondContact N-O 3.12Å; Y112-A114 PolarHBondContact O-N 3.27Å; Y112-A114 VanDerWaalsContact O-N 3.15Å
115D93.8Very high94.6Very high41 Ų4149.8 Ų49.822%0.21926%0.258CS..EExtended strand (participates in β ladder)trans-142.6172175.8-161.16.1000110.5R91 L92 R105 Q109R91-D115 WeakPolarHBondContact CG-O 3.34Å; L92-D115 PolarHBondContact N-O 2.71Å; L92-D115 VanDerWaalsContact N-O 3.13Å; R105-D115 IonicContact NE-OD1 2.81Å; R105-D115 PolarHBondContact NE-OD1 3.41Å; Q109-D115 PolarHBondContact NE2-OD1 3.03Å
116I95.6Very high94.7Very high0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-121.2123.7170.2-177.4165.2000110.1L92 L98 V100 F104 R105 I108 L158 I298L92-I116 HydrophobicContact CB-CB 4.03Å; L92-I116 HydrophobicContact CB-CD1 4.06Å; L92-I116 HydrophobicContact CB-CG1 3.89Å; L92-I116 VanDerWaalsContact O-CA 3.3Å; L92-I116 WeakPolarHBondContact O-CA 3.31Å; L98-I116 HydrophobicContact CD1-CD1 4.49Å; L98-I116 HydrophobicContact CD2-CD1 4.25Å; V100-I116 HydrophobicContact CB-CG2 4.32Å; V100-I116 HydrophobicContact CG1-CG2 3.51Å; V100-I116 HydrophobicContact CG2-CD1 4.18Å; V100-I116 HydrophobicContact CG2-CG1 4.32Å; V100-I116 HydrophobicContact CG2-CG2 3.8Å; F104-I116 HydrophobicContact CD1-CG2 4.41Å; F104-I116 HydrophobicContact CE1-CB 4.42Å; F104-I116 HydrophobicContact CE1-CD1 4.21Å; F104-I116 HydrophobicContact CE1-CG2 4.13Å; R105-I116 PolarHBondContact NH2-O 3.28Å; I108-I116 HydrophobicContact CD1-CB 4.24Å; I108-I116 HydrophobicContact CD1-CG2 4.22Å; I116-L158 HydrophobicContact CD1-CD1 4.26Å; I116-I298 HydrophobicContact CD1-CG2 4.03Å
117E96.7Very high94.8Very high34 Ų3445.1 Ų45.116%0.15924%0.243CC..EExtended strand (participates in β ladder)trans-106.3148.4174.8-177.2170.5-173.600109.8R91 L92 Y93 G94 L119 R130R91-E117 IonicContact CZ-OE2 2.68Å; R91-E117 IonicContact NH1-OE2 3.14Å; R91-E117 PolarHBondContact NH1-OE2 2.78Å; L92-E117 PolarHBondContact O-N 3.49Å; Y93-E117 CarbonylContact C-O 3.38Å; Y93-E117 VanDerWaalsContact CA-O 3.26Å; Y93-E117 WeakPolarHBondContact CA-O 3.41Å; Y93-E117 HydrophobicContact CD1-CB 3.81Å; Y93-E117 HydrophobicContact CD1-CG 4.31Å; Y93-E117 HydrophobicContact CE1-CB 3.95Å; Y93-E117 HydrophobicContact CE1-CG 4.35Å; Y93-E117 WeakPolarHBondContact CE1-OE2 3.13Å; G94-E117 PolarHBondContact N-O 3.02Å; E117-L119 HydrophobicContact CG-CD2 4.12Å; E117-L119 HydrophobicContact CG-CG 4.47Å; E117-R130 IonicContact OE1-CZ 2.8Å; E117-R130 VanDerWaalsContact OE1-CZ 3.25Å; E117-R130 IonicContact OE1-NE 3.85Å; E117-R130 PolarHBondContact OE1-NE 2.85Å; E117-R130 IonicContact OE1-NH2 3.76Å; E117-R130 PolarHBondContact OE1-NH2 3.14Å; E117-R130 IonicContact OE2-NH2 2.9Å
118V96.6Very high95Very high54 Ų5443.2 Ų43.233%0.32724%0.235SC..EExtended strand (participates in β ladder)trans-109.8126.5-176.7173.80000108G94 H95 L96 V100G94-V118 CarbonylContact O-C 3.58Å; G94-V118 WeakPolarHBondContact O-CA 3.44Å; H95-V118 WeakPolarHBondContact O-CG1 3.41Å; L96-V118 HydrophobicContact CB-CG1 4.4Å; L96-V118 WeakPolarHBondContact O-CG1 3.46Å; V100-V118 HydrophobicContact CG2-CG2 4.09Å
119L97.3Very high95.2Very high19 Ų1950.2 Ų50.210%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-130.6150.6-173.5-62.1-179.4000112Y93 G94 H95 L96 E117 F121 A127 R130 I131Y93-L119 HydrophobicContact CD1-CD1 3.44Å; Y93-L119 VanDerWaalsContact CD1-CD1 3.44Å; Y93-L119 HydrophobicContact CD1-CG 3.99Å; Y93-L119 HydrophobicContact CE1-CD1 4.08Å; Y93-L119 HydrophobicContact CG-CD1 4.09Å; G94-L119 PolarHBondContact O-N 3.37Å; H95-L119 CarbonylContact C-O 3.53Å; H95-L119 WeakPolarHBondContact CA-O 3.32Å; L96-L119 PolarHBondContact N-O 3.05Å; E117-L119 HydrophobicContact CG-CD2 4.12Å; E117-L119 HydrophobicContact CG-CG 4.47Å; L119-F121 HydrophobicContact CB-CE1 4.36Å; L119-F121 HydrophobicContact CB-CZ 4.41Å; L119-F121 HydrophobicContact CD1-CE1 4.45Å; L119-F121 PolarHBondContact O-N 3.08Å; L119-A127 HydrophobicContact CB-CB 4.36Å; L119-A127 HydrophobicContact CD1-CB 4.19Å; L119-R130 HydrophobicContact CD1-CG 4.44Å; L119-R130 HydrophobicContact CD2-CG 3.79Å; L119-I131 HydrophobicContact CD1-CD1 3.97Å; L119-I131 HydrophobicContact CD1-CG1 3.74Å
120N97.3Very high95.4Very high60 Ų6051.3 Ų51.332%0.32126%0.262SS..  trans-82.695.8170.3-177.15.4000110.7L96 G122 Q123L96-N120 HydrophobicContact CD2-CB 4.19Å; N120-G122 PolarHBondContact O-N 3.47Å; N120-G122 WeakPolarHBondContact OD1-CA 3.25Å; N120-G122 PolarHBondContact OD1-N 3.44Å; N120-Q123 PolarHBondContact ND2-OE1 3.26Å; N120-Q123 PolarHBondContact O-N 2.98Å; N120-Q123 VanDerWaalsContact O-N 3.09Å
121F97.2Very high95.7Very high0 Ų046.2 Ų46.20%024%0.239CC..G310 helixtrans-72.5-11.3176.8-65-60.7000113.9H95 L119 Q123 S124 A127 L152 N153 T156 V159H95-F121 HydrophobicContact CB-CD2 4.05Å; H95-F121 HydrophobicContact CB-CE2 4.42Å; L119-F121 HydrophobicContact CB-CE1 4.36Å; L119-F121 HydrophobicContact CB-CZ 4.41Å; L119-F121 HydrophobicContact CD1-CE1 4.45Å; L119-F121 PolarHBondContact O-N 3.08Å; F121-Q123 PolarHBondContact O-N 3.47Å; F121-S124 PolarHBondContact O-N 3.29Å; F121-S124 PolarHBondContact O-OG 2.87Å; F121-A127 HydrophobicContact CD1-CB 3.84Å; F121-A127 HydrophobicContact CE1-CB 4.14Å; F121-L152 HydrophobicContact CD1-CD1 4.33Å; F121-L152 HydrophobicContact CE1-CD1 4.17Å; F121-N153 CarbonylContact O-C 3.5Å; F121-T156 HydrophobicContact CD1-CG2 3.82Å; F121-T156 HydrophobicContact CD2-CG2 3.64Å; F121-T156 VanDerWaalsContact CD2-O 3.28Å; F121-T156 WeakPolarHBondContact CD2-O 3.43Å; F121-T156 HydrophobicContact CE1-CG2 3.84Å; F121-T156 HydrophobicContact CE2-CG2 3.64Å; F121-T156 HydrophobicContact CG-CG2 3.74Å; F121-T156 HydrophobicContact CZ-CG2 3.75Å; F121-V159 HydrophobicContact CE1-CG2 3.96Å; F121-V159 HydrophobicContact CE2-CG2 4.46Å; F121-V159 HydrophobicContact CZ-CG2 3.68Å
122G95.6Very high96.1Very high48 Ų4845.3 Ų45.350%0.49524%0.235SC..G310 helixtrans-62.2-25.216600000112.6N120N120-G122 PolarHBondContact O-N 3.47Å; N120-G122 WeakPolarHBondContact OD1-CA 3.25Å; N120-G122 PolarHBondContact OD1-N 3.44Å
123Q97.3Very high96.6Very high97 Ų9748.5 Ų48.545%0.45326%0.257SS..G310 helixtrans-100.863168.7-66173.2-62.700109.9N120 F121 E125 E126 A127N120-Q123 PolarHBondContact ND2-OE1 3.26Å; N120-Q123 PolarHBondContact O-N 2.98Å; N120-Q123 VanDerWaalsContact O-N 3.09Å; F121-Q123 PolarHBondContact O-N 3.47Å; Q123-E125 VanDerWaalsContact C-N 3.34Å; Q123-E125 PolarHBondContact O-N 3.47Å; Q123-E126 HydrophobicContact CB-CB 4.07Å; Q123-E126 PolarHBondContact NE2-OE2 3.34Å; Q123-E126 WeakPolarHBondContact O-CB 3.39Å; Q123-E126 PolarHBondContact O-N 2.96Å; Q123-A127 PolarHBondContact O-N 3.18Å
124S97.4Very high97Very high23 Ų2345 Ų4516%0.16123%0.23CC..Hα-helixtrans-57.8-39.1-165.1-45.30000114.4F121 A127 R128 L152 N153F121-S124 PolarHBondContact O-N 3.29Å; F121-S124 PolarHBondContact O-OG 2.87Å; S124-A127 PolarHBondContact O-N 3.32Å; S124-R128 WeakPolarHBondContact O-CB 3.48Å; S124-R128 PolarHBondContact O-N 2.88Å; S124-L152 WeakPolarHBondContact CB-O 3.19Å; S124-N153 VanDerWaalsContact OG-CA 3.26Å; S124-N153 WeakPolarHBondContact OG-CA 3.32Å
125E97.9Very high97.2Very high75 Ų7544.8 Ų44.835%0.3523%0.228SC..Hα-helixtrans-70.9-31.2177-75.3-54.8126.800113.4Q123 R128 R129Q123-E125 VanDerWaalsContact C-N 3.34Å; Q123-E125 PolarHBondContact O-N 3.47Å; E125-R128 IonicContact OE1-NE 3.43Å; E125-R128 IonicContact OE2-CZ 3.06Å; E125-R128 IonicContact OE2-NE 3.78Å; E125-R128 PolarHBondContact OE2-NE 3.42Å; E125-R128 IonicContact OE2-NH2 3.19Å; E125-R128 PolarHBondContact OE2-NH2 3.37Å; E125-R128 VanDerWaalsContact OE2-NH2 3.14Å; E125-R129 WeakPolarHBondContact O-CG 3.22Å; E125-R129 PolarHBondContact O-N 3.22Å; E125-R129 PolarHBondContact O-NE 3.37Å
126E98Very high97.3Very high105 Ų10545.9 Ų45.949%0.49123%0.232SC..Hα-helixtrans-70.1-45.6173.5-171177.4171.900110.7Q123 R128 R129 R130Q123-E126 HydrophobicContact CB-CB 4.07Å; Q123-E126 PolarHBondContact NE2-OE2 3.34Å; Q123-E126 WeakPolarHBondContact O-CB 3.39Å; Q123-E126 PolarHBondContact O-N 2.96Å; E126-R128 VanDerWaalsContact C-N 3.32Å; E126-R128 PolarHBondContact O-N 3.32Å; E126-R129 PolarHBondContact O-N 3.38Å; E126-R130 WeakPolarHBondContact O-CB 3.41Å; E126-R130 PolarHBondContact O-N 3.48Å
127A98Very high97.4Very high5 Ų551.4 Ų51.44%0.04126%0.258CS..Hα-helixtrans-58.5-43.8173.600000111.6L119 F121 Q123 S124 R130 I131 L152L119-A127 HydrophobicContact CB-CB 4.36Å; L119-A127 HydrophobicContact CD1-CB 4.19Å; F121-A127 HydrophobicContact CD1-CB 3.84Å; F121-A127 HydrophobicContact CE1-CB 4.14Å; Q123-A127 PolarHBondContact O-N 3.18Å; S124-A127 PolarHBondContact O-N 3.32Å; A127-R130 PolarHBondContact O-N 3.43Å; A127-I131 VanDerWaalsContact O-CG1 3.27Å; A127-I131 WeakPolarHBondContact O-CG1 3.34Å; A127-I131 PolarHBondContact O-N 3.02Å; A127-L152 HydrophobicContact CB-CD1 4.4Å
128R98.3Very high97.1Very high25 Ų2553.9 Ų53.99%0.09427%0.268CS..Hα-helixtrans-58-51176.2-170.9-172.669.284.9-5.6111.7S124 E125 E126 R130 I131 N132 I147 P148 E149 L152S124-R128 WeakPolarHBondContact O-CB 3.48Å; S124-R128 PolarHBondContact O-N 2.88Å; E125-R128 IonicContact OE1-NE 3.43Å; E125-R128 IonicContact OE2-CZ 3.06Å; E125-R128 IonicContact OE2-NE 3.78Å; E125-R128 PolarHBondContact OE2-NE 3.42Å; E125-R128 IonicContact OE2-NH2 3.19Å; E125-R128 PolarHBondContact OE2-NH2 3.37Å; E125-R128 VanDerWaalsContact OE2-NH2 3.14Å; E126-R128 VanDerWaalsContact C-N 3.32Å; E126-R128 PolarHBondContact O-N 3.32Å; R128-R130 PolarHBondContact O-N 2.69Å; R128-I131 PolarHBondContact O-N 3.36Å; R128-N132 PolarHBondContact NH1-ND2 2.89Å; R128-N132 PolarHBondContact O-N 3.35Å; R128-I147 WeakPolarHBondContact CD-O 3.28Å; R128-I147 HydrophobicContact CG-CB 3.87Å; R128-I147 HydrophobicContact CG-CG2 3.8Å; R128-I147 PolarHBondContact NH1-O 2.68Å; R128-P148 WeakPolarHBondContact CD-O 3.1Å; R128-E149 IonicContact NH2-OE1 3.38Å; R128-L152 HydrophobicContact CB-CD1 4.14Å
129R98.3Very high96.9Very high147 Ų14751.3 Ų51.356%0.55525%0.252SS*.Hα-helixtrans-61.6-42.5177.8-73.7-175.8-66.4-151.13.1111.8E125 E126 I131 N132 S133E125-R129 WeakPolarHBondContact O-CG 3.22Å; E125-R129 PolarHBondContact O-N 3.22Å; E125-R129 PolarHBondContact O-NE 3.37Å; E126-R129 PolarHBondContact O-N 3.38Å; R129-I131 VanDerWaalsContact C-N 3.34Å; R129-I131 PolarHBondContact O-N 3.02Å; R129-N132 PolarHBondContact O-N 3.06Å; R129-S133 WeakPolarHBondContact O-CB 2.92Å; R129-S133 PolarHBondContact O-N 2.8Å; R129-S133 PolarHBondContact O-OG 3.43Å; R129-S133 VanDerWaalsContact O-OG 3.05Å
130R98.2Very high96.6Very high110 Ų11057.1 Ų57.142%0.41528%0.277SS..Hα-helixtrans-58-44.8177.1176.359.1-178.5152-0.8112.2E117 L119 E126 A127 R128 W134E117-R130 IonicContact OE1-CZ 2.8Å; E117-R130 VanDerWaalsContact OE1-CZ 3.25Å; E117-R130 IonicContact OE1-NE 3.85Å; E117-R130 PolarHBondContact OE1-NE 2.85Å; E117-R130 IonicContact OE1-NH2 3.76Å; E117-R130 PolarHBondContact OE1-NH2 3.14Å; E117-R130 IonicContact OE2-NH2 2.9Å; L119-R130 HydrophobicContact CD1-CG 4.44Å; L119-R130 HydrophobicContact CD2-CG 3.79Å; E126-R130 WeakPolarHBondContact O-CB 3.41Å; E126-R130 PolarHBondContact O-N 3.48Å; A127-R130 PolarHBondContact O-N 3.43Å; R128-R130 PolarHBondContact O-N 2.69Å; R130-W134 PolarHBondContact O-N 3.2Å
131I98.1Very high96.4Very high0 Ų055.6 Ų55.60%028%0.276CS..Hα-helixtrans-65-50.7176.8-65.2167.9000110.4Y93 L119 A127 R128 R129 S133 W134 I135 I147 L152 T161Y93-I131 HydrophobicContact CD1-CD1 4.37Å; Y93-I131 HydrophobicContact CD1-CG1 3.88Å; Y93-I131 HydrophobicContact CD2-CD1 4Å; Y93-I131 HydrophobicContact CD2-CG1 3.91Å; Y93-I131 HydrophobicContact CD2-CG2 4.39Å; Y93-I131 HydrophobicContact CE1-CG1 3.75Å; Y93-I131 HydrophobicContact CE2-CB 4.29Å; Y93-I131 HydrophobicContact CE2-CD1 4.33Å; Y93-I131 HydrophobicContact CE2-CG1 3.78Å; Y93-I131 HydrophobicContact CE2-CG2 3.76Å; Y93-I131 HydrophobicContact CG-CD1 4Å; Y93-I131 HydrophobicContact CG-CG1 3.93Å; L119-I131 HydrophobicContact CD1-CD1 3.97Å; L119-I131 HydrophobicContact CD1-CG1 3.74Å; A127-I131 VanDerWaalsContact O-CG1 3.27Å; A127-I131 WeakPolarHBondContact O-CG1 3.34Å; A127-I131 PolarHBondContact O-N 3.02Å; R128-I131 PolarHBondContact O-N 3.36Å; R129-I131 VanDerWaalsContact C-N 3.34Å; R129-I131 PolarHBondContact O-N 3.02Å; I131-S133 PolarHBondContact O-N 3.49Å; I131-W134 PolarHBondContact O-N 2.91Å; I131-W134 VanDerWaalsContact O-N 3.16Å; I131-I135 HydrophobicContact CG2-CG1 4.44Å; I131-I135 WeakPolarHBondContact O-CG1 3.37Å; I131-I135 PolarHBondContact O-N 3.28Å; I131-I147 HydrophobicContact CB-CG1 4.19Å; I131-I147 HydrophobicContact CG2-CD1 4.15Å; I131-I147 HydrophobicContact CG2-CG1 3.6Å; I131-L152 HydrophobicContact CD1-CD1 3.94Å; I131-T161 HydrophobicContact CG2-CG2 3.87Å
132N98.1Very high96Very high8 Ų860 Ų604%0.04330%0.295CS..Hα-helixtrans-61.4-42.5-178.7-74.9-15.9000112.2R128 R129 W134 I135 E136 L146 I147R128-N132 PolarHBondContact NH1-ND2 2.89Å; R128-N132 PolarHBondContact O-N 3.35Å; R129-N132 PolarHBondContact O-N 3.06Å; N132-W134 VanDerWaalsContact C-N 3.32Å; N132-W134 PolarHBondContact O-N 3.49Å; N132-I135 PolarHBondContact O-N 2.69Å; N132-E136 WeakPolarHBondContact O-CB 3.36Å; N132-E136 PolarHBondContact O-N 2.87Å; N132-L146 PolarHBondContact OD1-N 3.27Å; N132-L146 VanDerWaalsContact OD1-N 3.09Å; N132-I147 PolarHBondContact ND2-O 3.4Å; N132-I147 PolarHBondContact OD1-N 3.35Å
133S98.2Very high95.8Very high70 Ų7057.8 Ų57.849%0.4927%0.272SS..Hα-helixtrans-62.1-38.2175.5-63.20000112.5R129 I131 E137R129-S133 WeakPolarHBondContact O-CB 2.92Å; R129-S133 PolarHBondContact O-N 2.8Å; R129-S133 PolarHBondContact O-OG 3.43Å; R129-S133 VanDerWaalsContact O-OG 3.05Å; I131-S133 PolarHBondContact O-N 3.49Å; S133-E137 WeakPolarHBondContact O-CB 3.07Å; S133-E137 PolarHBondContact O-N 3.25Å
134W97.6Very high95.7Very high18 Ų1857.8 Ų57.87%0.06827%0.27CS..Hα-helixtrans-67.3-43.6176.6-178.682.1000112.1A89 R91 R130 I131 N132 E136 E137 K138A89-W134 HydrophobicContact CB-CH2 4.12Å; A89-W134 HydrophobicContact CB-CZ3 3.84Å; R91-W134 HydrophobicContact CB-CE3 4.25Å; R91-W134 HydrophobicContact CB-CH2 3.55Å; R91-W134 HydrophobicContact CB-CZ2 4.17Å; R91-W134 HydrophobicContact CB-CZ3 3.58Å; R91-W134 VanDerWaalsContact NH1-NE1 3.15Å; R130-W134 PolarHBondContact O-N 3.2Å; I131-W134 PolarHBondContact O-N 2.91Å; I131-W134 VanDerWaalsContact O-N 3.16Å; N132-W134 VanDerWaalsContact C-N 3.32Å; N132-W134 PolarHBondContact O-N 3.49Å; W134-E136 VanDerWaalsContact C-N 3.34Å; W134-E137 PolarHBondContact O-N 3.32Å; W134-K138 HydrophobicContact CD2-CG 3.98Å; W134-K138 HydrophobicContact CE3-CG 4.39Å; W134-K138 HydrophobicContact CH2-CG 4.07Å; W134-K138 HydrophobicContact CZ2-CD 4.27Å; W134-K138 HydrophobicContact CZ2-CG 3.62Å; W134-K138 HydrophobicContact CZ3-CG 4.44Å; W134-K138 WeakPolarHBondContact O-CG 3.44Å; W134-K138 PolarHBondContact O-N 3.07Å
135I95.7Very high95.5Very high1 Ų161.2 Ų61.21%0.00529%0.286CS..Hα-helixtrans-61.9-44.4175.8-65.6-70.5000110.6A89 I131 N132 E137 K138 T139 I143 L146 A163A89-I135 HydrophobicContact CB-CD1 3.8Å; I131-I135 HydrophobicContact CG2-CG1 4.44Å; I131-I135 WeakPolarHBondContact O-CG1 3.37Å; I131-I135 PolarHBondContact O-N 3.28Å; N132-I135 PolarHBondContact O-N 2.69Å; I135-E137 PolarHBondContact O-N 3.17Å; I135-K138 PolarHBondContact O-N 3Å; I135-T139 HydrophobicContact CG2-CG2 4.44Å; I135-T139 WeakPolarHBondContact O-CB 3.46Å; I135-T139 WeakPolarHBondContact O-CG2 3.44Å; I135-T139 PolarHBondContact O-N 3.45Å; I135-T139 PolarHBondContact O-OG1 3.46Å; I135-I143 HydrophobicContact CG2-CB 4.19Å; I135-I143 HydrophobicContact CG2-CG2 3.9Å; I135-L146 HydrophobicContact CD1-CD2 3.8Å; I135-L146 HydrophobicContact CG1-CB 4.44Å; I135-L146 HydrophobicContact CG1-CD2 3.76Å; I135-L146 HydrophobicContact CG2-CB 4.37Å; I135-A163 HydrophobicContact CD1-CB 4.03Å; I135-A163 HydrophobicContact CG2-CB 3.62Å
136E96.6Very high95.4Very high64 Ų6457.6 Ų57.630%0.29927%0.27SS..Hα-helixtrans-61.1-45.5177.8-170.8174.2-173.900111.1N132 W134 T139 K140 G141 I143 K144N132-E136 WeakPolarHBondContact O-CB 3.36Å; N132-E136 PolarHBondContact O-N 2.87Å; W134-E136 VanDerWaalsContact C-N 3.34Å; E136-T139 CarbonylContact O-C 3.51Å; E136-T139 PolarHBondContact O-N 3.29Å; E136-T139 PolarHBondContact O-OG1 2.81Å; E136-K140 PolarHBondContact O-N 2.88Å; E136-G141 PolarHBondContact O-N 2.92Å; E136-I143 VanDerWaalsContact CA-O 3.31Å; E136-I143 WeakPolarHBondContact CA-O 3.49Å; E136-K144 HydrophobicContact CG-CG 4.16Å; E136-K144 WeakPolarHBondContact OE1-CD 3.04Å; E136-K144 WeakPolarHBondContact OE1-CE 3.48Å; E136-K144 IonicContact OE1-NZ 3.86Å; E136-K144 PolarHBondContact OE1-NZ 2.94Å
137E96.2Very high95.3Very high117 Ų11752.6 Ų52.655%0.54725%0.246SC..Hα-helixtrans-58.6-50.8174.8-174.4-156124.200111.6S133 W134 I135 T139 K140S133-E137 WeakPolarHBondContact O-CB 3.07Å; S133-E137 PolarHBondContact O-N 3.25Å; W134-E137 PolarHBondContact O-N 3.32Å; I135-E137 PolarHBondContact O-N 3.17Å; E137-T139 PolarHBondContact O-N 3.15Å; E137-K140 PolarHBondContact O-N 3.47Å; E137-K140 VanDerWaalsContact O-N 3.08Å
138K92.2Very high95.2Very high86 Ų8654.1 Ų54.137%0.37426%0.256SS..Hα-helixtrans-67.7-22.8-177.2-67.4-56.3173.1-1410113.9A89 W134 I135A89-K138 HydrophobicContact CB-CB 3.73Å; A89-K138 HydrophobicContact CB-CG 4.49Å; W134-K138 HydrophobicContact CD2-CG 3.98Å; W134-K138 HydrophobicContact CE3-CG 4.39Å; W134-K138 HydrophobicContact CH2-CG 4.07Å; W134-K138 HydrophobicContact CZ2-CD 4.27Å; W134-K138 HydrophobicContact CZ2-CG 3.62Å; W134-K138 HydrophobicContact CZ3-CG 4.44Å; W134-K138 WeakPolarHBondContact O-CG 3.44Å; W134-K138 PolarHBondContact O-N 3.07Å; I135-K138 PolarHBondContact O-N 3Å
139T91.1Very high95Very high0 Ų060.2 Ų60.20%029%0.285CS..THydrogen-bonded Turntrans-10212.617663.70000112.6A89 I135 E136 E137 G141 K142 I143 A163A89-T139 HydrophobicContact CB-CG2 4.23Å; I135-T139 HydrophobicContact CG2-CG2 4.44Å; I135-T139 WeakPolarHBondContact O-CB 3.46Å; I135-T139 WeakPolarHBondContact O-CG2 3.44Å; I135-T139 PolarHBondContact O-N 3.45Å; I135-T139 PolarHBondContact O-OG1 3.46Å; E136-T139 CarbonylContact O-C 3.51Å; E136-T139 PolarHBondContact O-N 3.29Å; E136-T139 PolarHBondContact O-OG1 2.81Å; E137-T139 PolarHBondContact O-N 3.15Å; T139-G141 VanDerWaalsContact C-N 3.28Å; T139-G141 PolarHBondContact O-N 3.06Å; T139-K142 WeakPolarHBondContact O-CB 3.42Å; T139-K142 WeakPolarHBondContact O-CG 3.43Å; T139-K142 PolarHBondContact O-N 2.78Å; T139-I143 HydrophobicContact CG2-CB 4.02Å; T139-I143 HydrophobicContact CG2-CD1 4.07Å; T139-I143 HydrophobicContact CG2-CG1 4.13Å; T139-I143 PolarHBondContact OG1-N 3.43Å; T139-I143 PolarHBondContact OG1-O 2.57Å; T139-A163 HydrophobicContact CG2-CB 4.5Å
140K91.5Very high94.9Very high140 Ų14056 Ų5661%0.60929%0.288SS*.THydrogen-bonded Turntrans5242.3-179.8-57.5-170.2-175.3169.20113.6Y87 E136 E137 K142Y87-K140 HydrophobicContact CE1-CD 3.93Å; Y87-K140 VanDerWaalsContact CE1-CE 3.49Å; Y87-K140 HydrophobicContact CE1-CG 4.33Å; Y87-K140 HydrophobicContact CE2-CB 4.45Å; Y87-K140 HydrophobicContact CE2-CD 4.07Å; Y87-K140 HydrophobicContact CE2-CG 4.31Å; Y87-K140 WeakPolarHBondContact OH-CD 3.31Å; Y87-K140 WeakPolarHBondContact OH-CE 3.13Å; Y87-K140 PolarHBondContact OH-NZ 3.33Å; E136-K140 PolarHBondContact O-N 2.88Å; E137-K140 PolarHBondContact O-N 3.47Å; E137-K140 VanDerWaalsContact O-N 3.08Å; K140-K142 VanDerWaalsContact C-N 3.28Å; K140-K142 PolarHBondContact O-N 3.43Å
141G92.5Very high94.7Very high29 Ų2951.6 Ų51.630%0.29928%0.275SS..THydrogen-bonded Turntrans80.62.7179.700000114.8E136 T139 K144E136-G141 PolarHBondContact O-N 2.92Å; T139-G141 VanDerWaalsContact C-N 3.28Å; T139-G141 PolarHBondContact O-N 3.06Å; G141-K144 WeakPolarHBondContact O-CE 3.24Å
142K90.4Very high94.7Very high92 Ų9252 Ų5240%0.428%0.277SS..SBendtrans-83.9-30.1-173.9-59.1-61.5-177.1-175.50113.7T139 K140 Y165T139-K142 WeakPolarHBondContact O-CB 3.42Å; T139-K142 WeakPolarHBondContact O-CG 3.43Å; T139-K142 PolarHBondContact O-N 2.78Å; K140-K142 VanDerWaalsContact C-N 3.28Å; K140-K142 PolarHBondContact O-N 3.43Å; K142-Y165 HydrophobicContact CB-CD1 4.32Å; K142-Y165 HydrophobicContact CB-CD2 3.42Å; K142-Y165 VanDerWaalsContact CB-CD2 3.42Å; K142-Y165 HydrophobicContact CB-CE1 4.49Å; K142-Y165 HydrophobicContact CB-CE2 3.67Å; K142-Y165 HydrophobicContact CB-CG 3.75Å; K142-Y165 HydrophobicContact CD-CE1 4.42Å; K142-Y165 HydrophobicContact CD-CE2 3.93Å; K142-Y165 HydrophobicContact CG-CD1 4.12Å; K142-Y165 HydrophobicContact CG-CD2 3.92Å; K142-Y165 HydrophobicContact CG-CE1 3.94Å; K142-Y165 HydrophobicContact CG-CE2 3.76Å; K142-Y165 HydrophobicContact CG-CG 4.07Å
143I90.9Very high94.6Very high2 Ų255.2 Ų55.21%0.0129%0.294CS..SBendtrans-117.7121.2174.7-59.2-177.5000108.3I135 E136 T139 A163 I164 K312I135-I143 HydrophobicContact CG2-CB 4.19Å; I135-I143 HydrophobicContact CG2-CG2 3.9Å; E136-I143 VanDerWaalsContact CA-O 3.31Å; E136-I143 WeakPolarHBondContact CA-O 3.49Å; T139-I143 HydrophobicContact CG2-CB 4.02Å; T139-I143 HydrophobicContact CG2-CD1 4.07Å; T139-I143 HydrophobicContact CG2-CG1 4.13Å; T139-I143 PolarHBondContact OG1-N 3.43Å; T139-I143 PolarHBondContact OG1-O 2.57Å; I143-A163 HydrophobicContact CD1-CB 3.89Å; I143-A163 HydrophobicContact CG2-CB 4.08Å; I143-I164 VanDerWaalsContact CD1-C 3.44Å; I143-I164 WeakPolarHBondContact CD1-O 3.01Å; I143-K312 HydrophobicContact CG2-CB 4.1Å; I143-K312 HydrophobicContact CG2-CD 3.76Å; I143-K312 HydrophobicContact CG2-CG 3.88Å
144K93.8Very high94.5Very high97 Ų9754.6 Ų54.642%0.42229%0.294SS..  trans-122157.4180-52.4-170.5-174.3-135.80109.9E136 G141 L146 K312E136-K144 HydrophobicContact CG-CG 4.16Å; E136-K144 WeakPolarHBondContact OE1-CD 3.04Å; E136-K144 WeakPolarHBondContact OE1-CE 3.48Å; E136-K144 IonicContact OE1-NZ 3.86Å; E136-K144 PolarHBondContact OE1-NZ 2.94Å; G141-K144 WeakPolarHBondContact O-CE 3.24Å; K144-L146 VanDerWaalsContact C-N 3.32Å; K144-L146 PolarHBondContact O-N 3.24Å; K144-K312 PolarHBondContact O-NZ 2.9Å
145D94.6Very high94.3Very high94 Ų9459.2 Ų59.250%0.50332%0.319SS..  trans49.848171.1-57.8-57000113.9I147D145-I147 PolarHBondContact O-N 2.68Å
146L95.6Very high94.3Very high0 Ų059.2 Ų59.20%032%0.319CS..  trans-58.5-39.8175.917266.3000111.7N132 I135 K144 P148 T161 F310 K312N132-L146 PolarHBondContact OD1-N 3.27Å; N132-L146 VanDerWaalsContact OD1-N 3.09Å; I135-L146 HydrophobicContact CD1-CD2 3.8Å; I135-L146 HydrophobicContact CG1-CB 4.44Å; I135-L146 HydrophobicContact CG1-CD2 3.76Å; I135-L146 HydrophobicContact CG2-CB 4.37Å; K144-L146 VanDerWaalsContact C-N 3.32Å; K144-L146 PolarHBondContact O-N 3.24Å; L146-P148 WeakPolarHBondContact O-CD 3.45Å; L146-T161 HydrophobicContact CD2-CG2 4.12Å; L146-F310 HydrophobicContact CD1-CB 3.9Å; L146-F310 HydrophobicContact CD2-CB 4.42Å; L146-F310 HydrophobicContact CG-CB 4.03Å; L146-K312 HydrophobicContact CD1-CB 3.4Å
147I96Very high94.2Very high0 Ų059.5 Ų59.50%032%0.317CS..SBendtrans-100.6113.1-179.1-46.3-62.4000108.6R128 I131 N132 D145 A151 L152 T161 F310R128-I147 WeakPolarHBondContact CD-O 3.28Å; R128-I147 HydrophobicContact CG-CB 3.87Å; R128-I147 HydrophobicContact CG-CG2 3.8Å; R128-I147 PolarHBondContact NH1-O 2.68Å; I131-I147 HydrophobicContact CB-CG1 4.19Å; I131-I147 HydrophobicContact CG2-CD1 4.15Å; I131-I147 HydrophobicContact CG2-CG1 3.6Å; N132-I147 PolarHBondContact ND2-O 3.4Å; N132-I147 PolarHBondContact OD1-N 3.35Å; D145-I147 PolarHBondContact O-N 2.68Å; I147-A151 HydrophobicContact CG2-CB 3.97Å; I147-L152 HydrophobicContact CG2-CD1 4.09Å; I147-L152 HydrophobicContact CG2-CD2 4.22Å; I147-L152 HydrophobicContact CG2-CG 3.84Å; I147-T161 HydrophobicContact CD1-CG2 4.1Å; I147-F310 HydrophobicContact CD1-CB 3.94Å; I147-F310 HydrophobicContact CD1-CD1 4.17Å; I147-F310 HydrophobicContact CD1-CD2 3.17Å; I147-F310 HydrophobicContact CD1-CE2 3.59Å; I147-F310 HydrophobicContact CD1-CG 3.49Å; I147-F310 VanDerWaalsContact CD1-CG 3.49Å; I147-F310 HydrophobicContact CD1-CZ 4.27Å; I147-F310 HydrophobicContact CG2-CE2 4.33Å; I147-F310 HydrophobicContact CG2-CZ 4.25Å
148P95.1Very high94.2Very high37 Ų3754 Ų5424%0.2429%0.291CS..  trans-71.1160.8178.124.1-27.1000111.6R128 L146 A151 E272 F310R128-P148 WeakPolarHBondContact CD-O 3.1Å; L146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-A151 HydrophobicContact CG-CB 3.89Å; P148-A151 WeakPolarHBondContact O-CB 3.32Å; P148-A151 PolarHBondContact O-N 3.29Å; P148-E272 WeakPolarHBondContact CG-OE1 3.42Å; P148-F310 HydrophobicContact CG-CE1 4.49Å
149E95.3Very high94.5Very high152 Ų15249.9 Ų49.971%0.7127%0.274SS*.THydrogen-bonded Turntrans-58.7141.7175.8-65.8-173.8169.100111.3R128 A151R128-E149 IonicContact NH2-OE1 3.38Å; E149-A151 PolarHBondContact O-N 2.64Å; E149-A151 VanDerWaalsContact O-N 3.14Å
150G95.1Very high94.7Very high60 Ų6049.9 Ų49.962%0.61927%0.274SS*.THydrogen-bonded Turntrans70.6-0.3-178.400000115.7L152G150-L152 VanDerWaalsContact C-N 3.29Å; G150-L152 PolarHBondContact O-N 3.1Å
151A94.9Very high94.9Very high17 Ų1743.2 Ų43.214%0.1425%0.245CC..SBendtrans-74-20.6179.500000113.6I147 P148 E149 F310I147-A151 HydrophobicContact CG2-CB 3.97Å; P148-A151 HydrophobicContact CG-CB 3.89Å; P148-A151 WeakPolarHBondContact O-CB 3.32Å; P148-A151 PolarHBondContact O-N 3.29Å; E149-A151 PolarHBondContact O-N 2.64Å; E149-A151 VanDerWaalsContact O-N 3.14Å; A151-F310 HydrophobicContact CB-CE1 4.02Å; A151-F310 HydrophobicContact CB-CZ 3.75Å
152L96.7Very high94.9Very high8 Ų841.9 Ų41.94%0.04223%0.23CC..  trans-111148.4174.9-54.2-178.7000110F121 S124 A127 R128 I131 I147 G150 T156 V159 F310F121-L152 HydrophobicContact CD1-CD1 4.33Å; F121-L152 HydrophobicContact CE1-CD1 4.17Å; S124-L152 WeakPolarHBondContact CB-O 3.19Å; A127-L152 HydrophobicContact CB-CD1 4.4Å; R128-L152 HydrophobicContact CB-CD1 4.14Å; I131-L152 HydrophobicContact CD1-CD1 3.94Å; I147-L152 HydrophobicContact CG2-CD1 4.09Å; I147-L152 HydrophobicContact CG2-CD2 4.22Å; I147-L152 HydrophobicContact CG2-CG 3.84Å; G150-L152 VanDerWaalsContact C-N 3.29Å; G150-L152 PolarHBondContact O-N 3.1Å; L152-T156 HydrophobicContact CD2-CG2 4.31Å; L152-V159 HydrophobicContact CD2-CG2 3.8Å; L152-F310 HydrophobicContact CD2-CE2 4.39Å
153N96.4Very high95Very high76 Ų7637.5 Ų37.541%0.40621%0.211SC..  trans-147.3174.8176.460.165.8000110.7F121 S124 L155 T156F121-N153 CarbonylContact O-C 3.5Å; S124-N153 VanDerWaalsContact OG-CA 3.26Å; S124-N153 WeakPolarHBondContact OG-CA 3.32Å; N153-L155 PolarHBondContact O-N 2.7Å; N153-L155 VanDerWaalsContact O-N 3.08Å; N153-L155 WeakPolarHBondContact OD1-CA 3.18Å; N153-L155 VanDerWaalsContact OD1-CB 3.3Å; N153-L155 WeakPolarHBondContact OD1-CB 3.39Å; N153-L155 PolarHBondContact OD1-N 2.6Å; N153-T156 PolarHBondContact N-OG1 3.11Å; N153-T156 VanDerWaalsContact O-CB 3.25Å; N153-T156 WeakPolarHBondContact O-CB 3.48Å; N153-T156 PolarHBondContact O-N 3.08Å; N153-T156 PolarHBondContact O-OG1 3.22Å; N153-T156 VanDerWaalsContact O-OG1 3.07Å; N153-T156 PolarHBondContact OD1-N 2.68Å
154A95.5Very high95Very high57 Ų5737.4 Ų37.447%0.47121%0.211SC..THydrogen-bonded Turntrans-61.7-17.1-178.500000114.7R157A154-R157 PolarHBondContact O-NH1 3.4Å
155L94.2Very high94.9Very high114 Ų11433.2 Ų33.260%0.59719%0.193SC*.THydrogen-bonded Turntrans-89.5-4.3176.5-56.3177000112.8N153 R157 Y305N153-L155 PolarHBondContact O-N 2.7Å; N153-L155 VanDerWaalsContact O-N 3.08Å; N153-L155 WeakPolarHBondContact OD1-CA 3.18Å; N153-L155 VanDerWaalsContact OD1-CB 3.3Å; N153-L155 WeakPolarHBondContact OD1-CB 3.39Å; N153-L155 PolarHBondContact OD1-N 2.6Å; L155-R157 PolarHBondContact O-N 2.72Å; L155-R157 PolarHBondContact O-NH1 2.95Å; L155-Y305 PolarHBondContact O-OH 2.88Å
156T96.3Very high94.5Very high1 Ų128.9 Ų28.91%0.00617%0.169CC..  trans-59.6134175.1-62.40000110.5F121 L152 N153 V159F121-T156 HydrophobicContact CD1-CG2 3.82Å; F121-T156 HydrophobicContact CD2-CG2 3.64Å; F121-T156 VanDerWaalsContact CD2-O 3.28Å; F121-T156 WeakPolarHBondContact CD2-O 3.43Å; F121-T156 HydrophobicContact CE1-CG2 3.84Å; F121-T156 HydrophobicContact CE2-CG2 3.64Å; F121-T156 HydrophobicContact CG-CG2 3.74Å; F121-T156 HydrophobicContact CZ-CG2 3.75Å; L152-T156 HydrophobicContact CD2-CG2 4.31Å; N153-T156 PolarHBondContact N-OG1 3.11Å; N153-T156 VanDerWaalsContact O-CB 3.25Å; N153-T156 WeakPolarHBondContact O-CB 3.48Å; N153-T156 PolarHBondContact O-N 3.08Å; N153-T156 PolarHBondContact O-OG1 3.22Å; N153-T156 VanDerWaalsContact O-OG1 3.07Å; N153-T156 PolarHBondContact OD1-N 2.68Å; T156-V159 HydrophobicContact CG2-CG2 3.33Å
157R94.9Very high94.1Very high71 Ų7130 Ų3027%0.26817%0.174SC..  trans-116.1-51.9-177.2-69.2-63.1176.8-93.33.1112.9G94 H95 A154 L155 F304 Y305 S307G94-R157 CarbonylContact C-O 3.45Å; G94-R157 WeakPolarHBondContact CA-O 2.84Å; H95-R157 PolarHBondContact N-O 2.85Å; A154-R157 PolarHBondContact O-NH1 3.4Å; L155-R157 PolarHBondContact O-N 2.72Å; L155-R157 PolarHBondContact O-NH1 2.95Å; R157-F304 HydrophobicContact CB-CD1 4Å; R157-Y305 HydrophobicContact CB-CD1 4.35Å; R157-Y305 HydrophobicContact CB-CE1 4.19Å; R157-Y305 HydrophobicContact CG-CD1 4.08Å; R157-Y305 HydrophobicContact CG-CE1 3.54Å; R157-S307 PolarHBondContact N-OG 2.89Å
158L96.1Very high93.7Very high1 Ų130.1 Ų30.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-140.1129.8177.7-176.464.2000109.4L92 Y93 I116 I298 Y305 V306 S307L92-L158 HydrophobicContact CB-CD1 4.22Å; L92-L158 HydrophobicContact CD2-CD1 4.24Å; L92-L158 HydrophobicContact CD2-CG 4.45Å; Y93-L158 CarbonylContact O-C 3.59Å; Y93-L158 WeakPolarHBondContact O-CA 3.36Å; I116-L158 HydrophobicContact CD1-CD1 4.26Å; L158-I298 HydrophobicContact CD2-CD1 3.99Å; L158-Y305 WeakPolarHBondContact CB-O 3.38Å; L158-Y305 PolarHBondContact N-O 3.03Å; L158-V306 HydrophobicContact CD2-CG2 3.89Å; L158-V306 HydrophobicContact CG-CG2 4.36Å; L158-V306 CarbonylContact O-C 3.48Å; L158-S307 PolarHBondContact O-N 3.29Å
159V97.1Very high93.5Very high0 Ų029 Ų290%017%0.167CC..EExtended strand (participates in β ladder)trans-115.2127.5176.5-175.30000109.2L92 Y93 F121 L152 T156 T161 E308 F310L92-V159 WeakPolarHBondContact CA-O 3.46Å; Y93-V159 PolarHBondContact N-O 3.36Å; Y93-V159 PolarHBondContact O-N 3.31Å; F121-V159 HydrophobicContact CE1-CG2 3.96Å; F121-V159 HydrophobicContact CE2-CG2 4.46Å; F121-V159 HydrophobicContact CZ-CG2 3.68Å; L152-V159 HydrophobicContact CD2-CG2 3.8Å; T156-V159 HydrophobicContact CG2-CG2 3.33Å; V159-T161 HydrophobicContact CG1-CG2 3.92Å; V159-E308 WeakPolarHBondContact CA-O 3.44Å; V159-F310 HydrophobicContact CG1-CD2 3.9Å; V159-F310 HydrophobicContact CG1-CE2 3.91Å
160L96.6Very high93.4Very high0 Ų022 Ų220%013%0.134CC..EExtended strand (participates in β ladder)trans-95.5119.1172.6178.158.7000109.6A35 L36 M38 L92 V306 E308 A309 F310A35-L160 HydrophobicContact CB-CD1 3.83Å; A35-L160 HydrophobicContact CB-CD2 4.26Å; A35-L160 HydrophobicContact CB-CG 4.24Å; A35-L160 WeakPolarHBondContact O-CD1 3.49Å; L36-L160 HydrophobicContact CD2-CD2 4Å; M38-L160 HydrophobicContact CE-CD1 3.18Å; L92-L160 HydrophobicContact CD2-CB 4.37Å; L92-L160 HydrophobicContact CD2-CD1 3.66Å; L160-V306 HydrophobicContact CB-CG1 4.45Å; L160-E308 PolarHBondContact N-O 2.84Å; L160-A309 HydrophobicContact CB-CB 3.97Å; L160-A309 HydrophobicContact CD2-CB 4.33Å; L160-A309 HydrophobicContact CG-CB 4.46Å; L160-A309 CarbonylContact O-C 3.6Å; L160-A309 VanDerWaalsContact O-CA 3.32Å; L160-A309 WeakPolarHBondContact O-CA 3.38Å; L160-F310 PolarHBondContact O-N 3.19Å
161T95.8Very high93.3Very high0 Ų024.3 Ų24.30%013%0.127CC..EExtended strand (participates in β ladder)trans-117.2138.6177.264.70000111.4R91 Y93 I131 L146 I147 V159R91-T161 PolarHBondContact N-O 2.95Å; R91-T161 PolarHBondContact O-N 3.38Å; R91-T161 PolarHBondContact O-OG1 2.91Å; Y93-T161 HydrophobicContact CD2-CG2 3.78Å; Y93-T161 HydrophobicContact CE2-CG2 3.7Å; Y93-T161 WeakPolarHBondContact CE2-OG1 3.31Å; I131-T161 HydrophobicContact CG2-CG2 3.87Å; L146-T161 HydrophobicContact CD2-CG2 4.12Å; I147-T161 HydrophobicContact CD1-CG2 4.1Å; V159-T161 HydrophobicContact CG1-CG2 3.92Å
162N92.5Very high93.2Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-145.1117.8179.4-177.1-103.8000109.2S31 A35 N90 F310 H311 K312S31-N162 VanDerWaalsContact C-ND2 3.33Å; S31-N162 WeakPolarHBondContact CB-OD1 3.35Å; S31-N162 PolarHBondContact O-ND2 2.88Å; S31-N162 PolarHBondContact OG-ND2 3.46Å; S31-N162 PolarHBondContact OG-OD1 2.83Å; A35-N162 HydrophobicContact CB-CB 3.96Å; N90-N162 PolarHBondContact OD1-ND2 2.91Å; N162-F310 PolarHBondContact N-O 2.88Å; N162-H311 VanDerWaalsContact O-CA 3.27Å; N162-H311 WeakPolarHBondContact O-CA 3.21Å; N162-H311 PolarHBondContact OD1-CE1 2.83Å; N162-H311 VanDerWaalsContact OD1-CE1 3.29Å; N162-H311 PolarHBondContact OD1-ND1 3.38Å; N162-K312 PolarHBondContact O-N 3.16Å; N162-K312 VanDerWaalsContact O-N 3.09Å
163A92.6Very high93Very high0 Ų028.5 Ų28.50%015%0.145CC..EExtended strand (participates in β ladder)trans-132.1140172.600000110A89 I135 T139 I143 K312A89-A163 HydrophobicContact CB-CB 4.33Å; A89-A163 PolarHBondContact N-O 3.2Å; A89-A163 PolarHBondContact O-N 3.15Å; I135-A163 HydrophobicContact CD1-CB 4.03Å; I135-A163 HydrophobicContact CG2-CB 3.62Å; T139-A163 HydrophobicContact CG2-CB 4.5Å; I143-A163 HydrophobicContact CD1-CB 3.89Å; I143-A163 HydrophobicContact CG2-CB 4.08Å; A163-K312 WeakPolarHBondContact CA-O 3.45Å
164I90.9Very high93Very high1 Ų125.2 Ų25.21%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-143.9124.1-178-171.6179.6000111.4S28 L86 Y87 L88 I143 K312 A313 F314 F366S28-I164 VanDerWaalsContact CB-CG2 3.42Å; S28-I164 WeakPolarHBondContact OG-CD1 3.26Å; L86-I164 HydrophobicContact CD1-CD1 4.03Å; L86-I164 HydrophobicContact CD1-CG1 4.03Å; Y87-I164 VanDerWaalsContact O-CA 3.31Å; Y87-I164 WeakPolarHBondContact O-CA 3.34Å; L88-I164 HydrophobicContact CD1-CB 3.87Å; L88-I164 HydrophobicContact CD1-CD1 4.08Å; L88-I164 HydrophobicContact CD1-CG1 4Å; I143-I164 VanDerWaalsContact CD1-C 3.44Å; I143-I164 WeakPolarHBondContact CD1-O 3.01Å; I164-K312 PolarHBondContact N-O 3.2Å; I164-K312 VanDerWaalsContact N-O 3.12Å; I164-A313 HydrophobicContact CG2-CB 4.04Å; I164-A313 WeakPolarHBondContact O-CA 3.24Å; I164-F314 PolarHBondContact O-N 2.83Å; I164-F366 HydrophobicContact CD1-CE1 3.93Å; I164-F366 HydrophobicContact CD1-CE2 4.11Å; I164-F366 HydrophobicContact CD1-CZ 3.44Å; I164-F366 VanDerWaalsContact CD1-CZ 3.44Å; I164-F366 HydrophobicContact CG1-CE1 4.15Å; I164-F366 HydrophobicContact CG1-CZ 3.7Å; I164-F366 HydrophobicContact CG2-CE1 3.8Å; I164-F366 HydrophobicContact CG2-CZ 4.26Å
165Y89.9Confident92.9Very high8 Ų828.5 Ų28.53%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-110.3130.2175.5175.1-96.7000109E85 L86 Y87 K142 K167 F314E85-Y165 HydrophobicContact CB-CE1 4.31Å; L86-Y165 WeakPolarHBondContact CA-O 3.19Å; Y87-Y165 AromaticContact CD2-CD1 3.5Å; Y87-Y165 HydrophobicContact CD2-CD1 3.5Å; Y87-Y165 VanDerWaalsContact CD2-CD1 3.5Å; Y87-Y165 HydrophobicContact CD2-CE1 4.23Å; Y87-Y165 HydrophobicContact CD2-CG 4.22Å; Y87-Y165 AromaticContact CE2-CD1 3.87Å; Y87-Y165 HydrophobicContact CE2-CD1 3.87Å; Y87-Y165 HydrophobicContact CE2-CE1 4.15Å; Y87-Y165 PolarHBondContact N-O 3.24Å; Y87-Y165 PolarHBondContact O-N 2.89Å; K142-Y165 HydrophobicContact CB-CD1 4.32Å; K142-Y165 HydrophobicContact CB-CD2 3.42Å; K142-Y165 VanDerWaalsContact CB-CD2 3.42Å; K142-Y165 HydrophobicContact CB-CE1 4.49Å; K142-Y165 HydrophobicContact CB-CE2 3.67Å; K142-Y165 HydrophobicContact CB-CG 3.75Å; K142-Y165 HydrophobicContact CD-CE1 4.42Å; K142-Y165 HydrophobicContact CD-CE2 3.93Å; K142-Y165 HydrophobicContact CG-CD1 4.12Å; K142-Y165 HydrophobicContact CG-CD2 3.92Å; K142-Y165 HydrophobicContact CG-CE1 3.94Å; K142-Y165 HydrophobicContact CG-CE2 3.76Å; K142-Y165 HydrophobicContact CG-CG 4.07Å; Y165-K167 HydrophobicContact CD1-CB 4.49Å; Y165-K167 HydrophobicContact CE1-CB 3.57Å; Y165-K167 HydrophobicContact CE1-CD 4.25Å; Y165-K167 WeakPolarHBondContact OH-CD 3.12Å; Y165-F314 HydrophobicContact CD2-CB 4.12Å; Y165-F314 AromaticContact CD2-CD1 3.69Å; Y165-F314 HydrophobicContact CD2-CD1 3.69Å; Y165-F314 HydrophobicContact CD2-CE1 4.47Å; Y165-F314 HydrophobicContact CD2-CG 4.12Å; Y165-F314 AromaticContact CE2-CD1 3.44Å; Y165-F314 HydrophobicContact CE2-CD1 3.44Å; Y165-F314 VanDerWaalsContact CE2-CD1 3.44Å; Y165-F314 AromaticContact CE2-CE1 3.77Å; Y165-F314 HydrophobicContact CE2-CE1 3.77Å; Y165-F314 HydrophobicContact CE2-CG 4.21Å
166F87.9Confident92.8Very high3 Ų326.8 Ų26.81%0.01313%0.127CC..EExtended strand (participates in β ladder)trans-128.5135.8173.9177.5-103.7000111.6E85 L86 A168 Y218 L223 I356 F366E85-F166 WeakPolarHBondContact O-CA 3.42Å; L86-F166 HydrophobicContact CD1-CB 4Å; L86-F166 HydrophobicContact CD1-CD2 3.77Å; L86-F166 HydrophobicContact CD1-CG 4.36Å; F166-A168 HydrophobicContact CE1-CB 3.94Å; F166-A168 HydrophobicContact CE2-CB 3.83Å; F166-A168 HydrophobicContact CZ-CB 3.32Å; F166-Y218 HydrophobicContact CE1-CE1 4.23Å; F166-Y218 HydrophobicContact CE1-CE2 4Å; F166-Y218 AromaticContact CE1-CZ 3.76Å; F166-Y218 HydrophobicContact CZ-CD2 4.28Å; F166-Y218 HydrophobicContact CZ-CE1 4.45Å; F166-Y218 HydrophobicContact CZ-CE2 4.03Å; F166-L223 HydrophobicContact CE2-CD1 3.56Å; F166-L223 HydrophobicContact CZ-CD1 3.86Å; F166-I356 HydrophobicContact CD1-CD1 3.56Å; F166-I356 HydrophobicContact CE1-CD1 3.45Å; F166-I356 VanDerWaalsContact CE1-CD1 3.45Å; F166-I356 HydrophobicContact CE1-CG2 4.45Å; F166-I356 HydrophobicContact CZ-CD1 4.4Å; F166-I356 HydrophobicContact CZ-CG2 4.43Å; F166-F366 HydrophobicContact CB-CD2 4.39Å; F166-F366 HydrophobicContact CB-CE1 4.33Å; F166-F366 HydrophobicContact CB-CE2 3.39Å; F166-F366 HydrophobicContact CB-CZ 3.33Å; F166-F366 HydrophobicContact CD1-CE2 4.3Å; F166-F366 HydrophobicContact CD2-CE2 4.25Å; F166-F366 HydrophobicContact CG-CD2 4.48Å; F166-F366 AromaticContact CG-CE2 3.72Å; F166-F366 HydrophobicContact CG-CE2 3.72Å; F166-F366 HydrophobicContact CG-CZ 4.19Å
167K85.9Confident92.8Very high25 Ų2532.1 Ų32.111%0.10916%0.161CC..EExtended strand (participates in β ladder)trans-150.4123.6177.2168.1174.5156.1137.30108C84 E85 Y165 S322C84-K167 CarbonylContact C-O 3.6Å; C84-K167 WeakPolarHBondContact CA-O 3.17Å; E85-K167 HydrophobicContact CB-CB 4.27Å; E85-K167 PolarHBondContact N-O 3.38Å; E85-K167 PolarHBondContact O-N 2.88Å; E85-K167 VanDerWaalsContact OE1-CE 3.32Å; E85-K167 WeakPolarHBondContact OE1-CE 3.39Å; Y165-K167 HydrophobicContact CD1-CB 4.49Å; Y165-K167 HydrophobicContact CE1-CB 3.57Å; Y165-K167 HydrophobicContact CE1-CD 4.25Å; Y165-K167 WeakPolarHBondContact OH-CD 3.12Å; K167-S322 WeakPolarHBondContact CD-OG 3.31Å; K167-S322 WeakPolarHBondContact CE-OG 3.24Å; K167-S322 WeakPolarHBondContact CG-OG 3.25Å; K167-S322 PolarHBondContact NZ-OG 3.37Å
168A88Confident92.8Very high2 Ų231.8 Ų31.82%0.01717%0.165CC..EExtended strand (participates in β ladder)trans-149.5141.5178.200000111.9G83 C84 F166 Y218 G321G83-A168 CarbonylContact O-C 3.59Å; G83-A168 VanDerWaalsContact O-CA 3.28Å; G83-A168 WeakPolarHBondContact O-CA 3.26Å; C84-A168 HydrophobicContact CB-CB 4.23Å; F166-A168 HydrophobicContact CE1-CB 3.94Å; F166-A168 HydrophobicContact CE2-CB 3.83Å; F166-A168 HydrophobicContact CZ-CB 3.32Å; A168-Y218 HydrophobicContact CB-CD1 3.41Å; A168-Y218 VanDerWaalsContact CB-CD1 3.41Å; A168-Y218 HydrophobicContact CB-CE1 3.86Å; A168-Y218 HydrophobicContact CB-CG 3.84Å; A168-Y218 WeakPolarHBondContact O-CD1 3.25Å; A168-Y218 VanDerWaalsContact O-CE1 3.3Å; A168-Y218 WeakPolarHBondContact O-CE1 3.44Å; A168-G321 CarbonylContact O-C 3.56Å; A168-G321 WeakPolarHBondContact O-CA 3.31Å; A168-G321 VanDerWaalsContact O-O 3.12Å
169N90.9Very high92.9Very high14 Ų1432.9 Ų32.98%0.07517%0.172CC..  trans-73.4142.2174.4-69.4-10.6000111.4G83 Y218 V219 K320 S322G83-N169 PolarHBondContact O-N 3.4Å; N169-Y218 CarbonylContact O-C 3.37Å; N169-Y218 WeakPolarHBondContact O-CA 3.21Å; N169-Y218 WeakPolarHBondContact O-CB 3.22Å; N169-Y218 WeakPolarHBondContact O-CD1 3.37Å; N169-V219 HydrophobicContact CB-CG1 3.73Å; N169-V219 HydrophobicContact CB-CG2 4.1Å; N169-V219 WeakPolarHBondContact O-CG1 3.49Å; N169-V219 WeakPolarHBondContact O-CG2 3.38Å; N169-V219 PolarHBondContact O-N 3Å; N169-K320 CarbonylContact C-O 3.45Å; N169-K320 WeakPolarHBondContact CA-O 3.26Å; N169-K320 WeakPolarHBondContact CB-O 3.43Å; N169-S322 WeakPolarHBondContact OD1-CA 3.19Å; N169-S322 PolarHBondContact OD1-N 2.9Å; N169-S322 PolarHBondContact OD1-O 2.7Å
170W93.1Very high92.9Very high3 Ų339.1 Ų39.11%0.01120%0.199CC..BIsolated β-bridgetrans-62.4145.6169.4-59123.2000110.2I172 Q173 M216 Y218 V219 M225 F227 I317 N318 K320W170-I172 WeakPolarHBondContact CB-O 3.03Å; W170-I172 PolarHBondContact O-N 2.93Å; W170-Q173 HydrophobicContact CB-CG 4.3Å; W170-M216 HydrophobicContact CD2-CE 4.3Å; W170-M216 HydrophobicContact CE3-CB 4.12Å; W170-M216 HydrophobicContact CE3-CE 4.4Å; W170-M216 HydrophobicContact CH2-CB 4.45Å; W170-M216 HydrophobicContact CZ3-CB 3.8Å; W170-Y218 HydrophobicContact CD2-CD1 4.4Å; W170-Y218 HydrophobicContact CD2-CE1 4.14Å; W170-Y218 AromaticContact CE3-CD1 3.72Å; W170-Y218 HydrophobicContact CE3-CD1 3.72Å; W170-Y218 AromaticContact CE3-CE1 3.54Å; W170-Y218 HydrophobicContact CE3-CE1 3.54Å; W170-Y218 HydrophobicContact CE3-CG 4.34Å; W170-Y218 AromaticContact CH2-CE1 3.86Å; W170-Y218 HydrophobicContact CH2-CE1 3.86Å; W170-Y218 AromaticContact CH2-CZ 3.73Å; W170-Y218 WeakPolarHBondContact CH2-OH 3.42Å; W170-Y218 HydrophobicContact CZ2-CE1 4.4Å; W170-Y218 AromaticContact CZ3-CD1 3.94Å; W170-Y218 HydrophobicContact CZ3-CD1 3.94Å; W170-Y218 HydrophobicContact CZ3-CD2 4.41Å; W170-Y218 AromaticContact CZ3-CE1 3.38Å; W170-Y218 HydrophobicContact CZ3-CE1 3.38Å; W170-Y218 AromaticContact CZ3-CE2 3.93Å; W170-Y218 HydrophobicContact CZ3-CE2 3.93Å; W170-Y218 HydrophobicContact CZ3-CG 4.43Å; W170-Y218 AromaticContact CZ3-CZ 3.37Å; W170-V219 WeakPolarHBondContact O-CG1 3.5Å; W170-M225 HydrophobicContact CH2-CB 3.92Å; W170-M225 HydrophobicContact CH2-CG 4.3Å; W170-M225 HydrophobicContact CH2-SD 3.57Å; W170-M225 VanDerWaalsContact CH2-SD 3.57Å; W170-M225 HydrophobicContact CZ2-SD 4.45Å; W170-M225 HydrophobicContact CZ3-CB 3.84Å; W170-M225 HydrophobicContact CZ3-SD 4.4Å; W170-F227 HydrophobicContact CH2-CZ 4.45Å; W170-I317 HydrophobicContact CH2-CD1 4.26Å; W170-I317 HydrophobicContact CZ2-CD1 4.09Å; W170-I317 HydrophobicContact CZ2-CG2 4.13Å; W170-N318 PolarHBondContact NE1-O 2.76Å; W170-K320 VanDerWaalsContact CD1-C 3.48Å; W170-K320 PolarHBondContact N-O 3.3Å
171K92.5Very high92.9Very high110 Ų11045 Ų4548%0.47822%0.224SC..SBendtrans-61.8-37.7169.6-172.6169.7-1761650111P217 D221K171-P217 HydrophobicContact CB-CB 4.26Å; K171-P217 HydrophobicContact CB-CG 4.07Å; K171-P217 WeakPolarHBondContact CB-O 3.2Å; K171-P217 HydrophobicContact CD-CB 4.29Å; K171-P217 HydrophobicContact CD-CG 4.16Å; K171-P217 PolarHBondContact N-O 2.81Å; K171-D221 IonicContact NZ-OD1 2.75Å; K171-D221 PolarHBondContact NZ-OD1 3.02Å
172I92.6Very high93Very high53 Ų5346.3 Ų46.327%0.27224%0.236SC..SBendtrans-125.1114.6175-53.9173.5000106.8W170 Q201W170-I172 WeakPolarHBondContact CB-O 3.03Å; W170-I172 PolarHBondContact O-N 2.93Å; I172-Q201 HydrophobicContact CD1-CG 3.59Å; I172-Q201 HydrophobicContact CG2-CG 4.13Å
173Q93.8Very high93.3Very high59 Ų5948.9 Ų48.928%0.27625%0.251SS..PPolyproline II helixtrans-86.9151.8-173.8-62.7-178.67.300111W170 E319W170-Q173 HydrophobicContact CB-CG 4.3Å; Q173-E319 WeakPolarHBondContact CA-O 3.02Å; Q173-E319 WeakPolarHBondContact CB-O 3.4Å
174F95Very high93.5Very high7 Ų748.9 Ų48.93%0.03125%0.251CS..PPolyproline II helixtrans-74144.4167.9-61.8-94.9000109.9T176 M197 M199 M216 V262 I264 E319F174-T176 PolarHBondContact O-N 3.01Å; F174-M197 HydrophobicContact CB-CB 4.22Å; F174-M197 HydrophobicContact CD1-CB 3.58Å; F174-M197 HydrophobicContact CD2-CB 4.2Å; F174-M197 HydrophobicContact CD2-CE 4.12Å; F174-M197 HydrophobicContact CD2-SD 3.99Å; F174-M197 HydrophobicContact CE1-CB 3.87Å; F174-M197 HydrophobicContact CE2-CB 4.45Å; F174-M197 HydrophobicContact CE2-CE 3.83Å; F174-M197 HydrophobicContact CE2-SD 4.32Å; F174-M197 HydrophobicContact CG-CB 3.75Å; F174-M197 HydrophobicContact CG-SD 4.35Å; F174-M197 HydrophobicContact CZ-CB 4.3Å; F174-M197 HydrophobicContact CZ-CE 4.24Å; F174-M199 HydrophobicContact CB-CE 4.1Å; F174-M199 HydrophobicContact CD1-CB 4.06Å; F174-M199 HydrophobicContact CD1-CE 3.27Å; F174-M199 HydrophobicContact CD1-CG 3.95Å; F174-M199 HydrophobicContact CD1-SD 4.42Å; F174-M199 HydrophobicContact CD2-CE 3.53Å; F174-M199 HydrophobicContact CE1-CB 4.32Å; F174-M199 HydrophobicContact CE1-CE 3.44Å; F174-M199 VanDerWaalsContact CE1-CE 3.44Å; F174-M199 HydrophobicContact CE1-CG 3.74Å; F174-M199 HydrophobicContact CE1-SD 4.26Å; F174-M199 HydrophobicContact CE2-CE 3.67Å; F174-M199 HydrophobicContact CG-CE 3.33Å; F174-M199 HydrophobicContact CZ-CE 3.63Å; F174-M216 HydrophobicContact CE2-CE 3.59Å; F174-M216 HydrophobicContact CE2-SD 4.36Å; F174-M216 HydrophobicContact CZ-CE 3.67Å; F174-M216 HydrophobicContact CZ-SD 4.1Å; F174-V262 HydrophobicContact CE1-CG1 4.29Å; F174-V262 HydrophobicContact CZ-CG1 4.33Å; F174-I264 HydrophobicContact CZ-CD1 4.39Å; F174-E319 HydrophobicContact CB-CB 3.95Å; F174-E319 HydrophobicContact CB-CG 4.11Å; F174-E319 PolarHBondContact N-O 3.42Å
175E93.2Very high93.8Very high126 Ų12650.4 Ų50.459%0.58926%0.258SS*.PPolyproline II helixtrans-77116.5171.1-69.8-176.8-135.300109.8P177 L178E175-P177 VanDerWaalsContact C-N 3.3Å; E175-L178 HydrophobicContact CB-CB 4.32Å; E175-L178 HydrophobicContact CB-CD1 3.89Å; E175-L178 HydrophobicContact CB-CG 3.83Å; E175-L178 HydrophobicContact CG-CD1 4.44Å; E175-L178 WeakPolarHBondContact O-CA 3.18Å; E175-L178 WeakPolarHBondContact O-CB 3.46Å; E175-L178 PolarHBondContact O-N 2.86Å
176T93.8Very high94Very high79 Ų7950.1 Ų50.149%0.48526%0.257SS..G310 helixtrans-52.2-39.4179.1-50.50000114.2F174 L178 T179F174-T176 PolarHBondContact O-N 3.01Å; T176-L178 PolarHBondContact O-N 2.68Å; T176-T179 WeakPolarHBondContact O-CB 3.35Å; T176-T179 PolarHBondContact O-N 3.36Å; T176-T179 VanDerWaalsContact O-N 3.14Å
177P95Very high94.2Very high112 Ų11251.3 Ų51.373%0.72726%0.264SS*.G310 helixtrans-63.3-19.4175.5-24.235.9000114.7E175E175-P177 VanDerWaalsContact C-N 3.3Å
178L95.4Very high94.6Very high64 Ų6454.5 Ų54.534%0.33529%0.288SS..G310 helixtrans-86.1-18.1177-59.3-175.5000112.3E175 T176 K180 Q198E175-L178 HydrophobicContact CB-CB 4.32Å; E175-L178 HydrophobicContact CB-CD1 3.89Å; E175-L178 HydrophobicContact CB-CG 3.83Å; E175-L178 HydrophobicContact CG-CD1 4.44Å; E175-L178 WeakPolarHBondContact O-CA 3.18Å; E175-L178 WeakPolarHBondContact O-CB 3.46Å; E175-L178 PolarHBondContact O-N 2.86Å; T176-L178 PolarHBondContact O-N 2.68Å; L178-K180 PolarHBondContact O-N 3.19Å; L178-Q198 HydrophobicContact CB-CG 3.8Å; L178-Q198 VanDerWaalsContact O-CD 3.31Å; L178-Q198 WeakPolarHBondContact O-CG 3.37Å; L178-Q198 PolarHBondContact O-NE2 3.14Å
179T97.5Very high94.8Very high25 Ų2562.1 Ų62.115%0.15333%0.328CS..  trans-62.2125.3174.1-59.50000110.3T176 D195 M196 M197 E319T176-T179 WeakPolarHBondContact O-CB 3.35Å; T176-T179 PolarHBondContact O-N 3.36Å; T176-T179 VanDerWaalsContact O-N 3.14Å; T179-D195 HydrophobicContact CG2-CB 3.87Å; T179-M196 WeakPolarHBondContact CA-O 3.43Å; T179-M197 HydrophobicContact CG2-CG 4.35Å; T179-E319 WeakPolarHBondContact CB-OE1 3.44Å; T179-E319 WeakPolarHBondContact CG2-OE1 3.41Å; T179-E319 VanDerWaalsContact OG1-CG 3.27Å; T179-E319 WeakPolarHBondContact OG1-CG 3.36Å; T179-E319 PolarHBondContact OG1-OE1 3.29Å
180K97.3Very high95Very high131 Ų13164.7 Ų64.757%0.5734%0.34SS*.EExtended strand (participates in β ladder)trans-132.4152.2-179.1-69.8-179.7-177.1179.20111.3L178 A182 M196L178-K180 PolarHBondContact O-N 3.19Å; K180-A182 PolarHBondContact O-N 2.86Å; K180-M196 PolarHBondContact N-O 3Å; K180-M196 WeakPolarHBondContact O-CB 3.34Å; K180-M196 PolarHBondContact O-N 3.3Å
181K97.8Very high95Very high122 Ų12270.2 Ų70.253%0.5337%0.365SS..EExtended strand (participates in β ladder)trans-62.4125.9169.2-68.7-64.4-174.6-164.90109.5M193 V194 D195K181-M193 HydrophobicContact CB-CE 3.67Å; K181-V194 WeakPolarHBondContact CA-O 2.91Å; K181-D195 WeakPolarHBondContact CD-OD1 3.48Å; K181-D195 WeakPolarHBondContact CE-OD1 3.4Å; K181-D195 IonicContact NZ-OD1 3.95Å; K181-D195 PolarHBondContact NZ-OD1 3.09Å; K181-D195 IonicContact NZ-OD2 3.65Å; K181-D195 PolarHBondContact NZ-OD2 2.88Å
182A97.6Very high95.2Very high29 Ų2968.6 Ų68.624%0.2436%0.359CS..EExtended strand (participates in β ladder)trans-136.9156.3174.300000110.8K180 M193 V194 M196K180-A182 PolarHBondContact O-N 2.86Å; A182-M193 WeakPolarHBondContact O-CA 3.47Å; A182-V194 PolarHBondContact N-O 3.13Å; A182-V194 PolarHBondContact O-N 3.38Å; A182-M196 HydrophobicContact CB-CB 3.65Å; A182-M196 HydrophobicContact CB-CE 4.28Å; A182-M196 HydrophobicContact CB-CG 4.15Å
183T97.5Very high95.4Very high53 Ų5371.3 Ų71.333%0.32537%0.371SS..EExtended strand (participates in β ladder)trans-68.9135.3175-540000110.5F185 E191 K192T183-F185 HydrophobicContact CG2-CD1 4.46Å; T183-F185 HydrophobicContact CG2-CE1 4.08Å; T183-F185 HydrophobicContact CG2-CE2 4.47Å; T183-F185 HydrophobicContact CG2-CZ 4.06Å; T183-E191 HydrophobicContact CG2-CB 3.97Å; T183-E191 HydrophobicContact CG2-CG 4.18Å; T183-E191 VanDerWaalsContact CG2-OE2 3.32Å; T183-E191 WeakPolarHBondContact CG2-OE2 3.44Å; T183-K192 CarbonylContact C-O 3.58Å
184F97.9Very high95.5Very high0 Ų069 Ų690%036%0.362CS..EExtended strand (participates in β ladder)trans-118.5126.2167.2-171.6-84.3000109.2V186 E191 K192 V194 P265 A348 D349 H350 P351 F352 Y370 Y371 G372F184-V186 HydrophobicContact CD1-CG2 3.92Å; F184-V186 HydrophobicContact CE1-CG2 4.43Å; F184-V186 PolarHBondContact O-N 2.9Å; F184-E191 CarbonylContact O-C 3.58Å; F184-E191 WeakPolarHBondContact O-CA 3.43Å; F184-K192 PolarHBondContact N-O 2.95Å; F184-K192 PolarHBondContact O-N 3.49Å; F184-V194 HydrophobicContact CB-CB 4.48Å; F184-V194 HydrophobicContact CB-CG1 3.77Å; F184-V194 HydrophobicContact CB-CG2 3.86Å; F184-V194 HydrophobicContact CG-CG1 4.38Å; F184-P265 HydrophobicContact CD2-CG 3.84Å; F184-P265 HydrophobicContact CE2-CG 3.96Å; F184-A348 WeakPolarHBondContact CE2-O 3.49Å; F184-D349 CarbonylContact C-O 3.09Å; F184-D349 VanDerWaalsContact CA-O 3.27Å; F184-D349 WeakPolarHBondContact CA-O 3.38Å; F184-D349 VanDerWaalsContact CD2-C 3.45Å; F184-H350 WeakPolarHBondContact CE2-O 3.48Å; F184-H350 WeakPolarHBondContact CZ-O 3.45Å; F184-P351 HydrophobicContact CE1-CG 4.44Å; F184-F352 HydrophobicContact CE2-CD1 4.35Å; F184-F352 HydrophobicContact CE2-CE1 4.08Å; F184-Y370 HydrophobicContact CD2-CD1 4.44Å; F184-Y370 HydrophobicContact CD2-CE1 4.01Å; F184-Y370 HydrophobicContact CE1-CD1 4.36Å; F184-Y370 HydrophobicContact CE1-CE1 4.31Å; F184-Y370 AromaticContact CE2-CD1 3.64Å; F184-Y370 HydrophobicContact CE2-CD1 3.64Å; F184-Y370 AromaticContact CE2-CE1 3.67Å; F184-Y370 HydrophobicContact CE2-CE1 3.67Å; F184-Y370 HydrophobicContact CG-CE1 4.46Å; F184-Y370 AromaticContact CZ-CD1 3.58Å; F184-Y370 HydrophobicContact CZ-CD1 3.58Å; F184-Y370 AromaticContact CZ-CE1 3.81Å; F184-Y370 HydrophobicContact CZ-CE1 3.81Å; F184-Y371 VanDerWaalsContact CE1-C 3.47Å; F184-G372 VanDerWaalsContact CE1-N 3.34Å
185F96.8Very high95.6Very high34 Ų3471.6 Ų71.615%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-87.389.1-177.1-57.7-82.5000110.2T183 E191 K233 F234 D349 H350 P351T183-F185 HydrophobicContact CG2-CD1 4.46Å; T183-F185 HydrophobicContact CG2-CE1 4.08Å; T183-F185 HydrophobicContact CG2-CE2 4.47Å; T183-F185 HydrophobicContact CG2-CZ 4.06Å; F185-E191 HydrophobicContact CD1-CG 3.71Å; F185-E191 WeakPolarHBondContact CD1-OE1 3.24Å; F185-E191 HydrophobicContact CE1-CG 4.18Å; F185-E191 WeakPolarHBondContact CE1-OE1 3.26Å; F185-K233 HydrophobicContact CD2-CD 4.04Å; F185-K233 HydrophobicContact CE2-CD 4.47Å; F185-K233 HydrophobicContact CG-CD 4.17Å; F185-F234 HydrophobicContact CB-CE1 4.11Å; F185-F234 HydrophobicContact CB-CZ 4.12Å; F185-D349 HydrophobicContact CD2-CB 4.41Å; F185-D349 VanDerWaalsContact CD2-O 3.29Å; F185-D349 WeakPolarHBondContact CD2-O 3.3Å; F185-D349 HydrophobicContact CE2-CB 4.49Å; F185-D349 PolarHBondContact N-O 2.75Å; F185-H350 HydrophobicContact CB-CB 4.23Å; F185-P351 WeakPolarHBondContact O-CD 3.5Å
186V94.7Very high95.8Very high2 Ų266 Ų661%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-66.4-48.7-175.6179.20000111.5F184 E190 K192 Y371F184-V186 HydrophobicContact CD1-CG2 3.92Å; F184-V186 HydrophobicContact CE1-CG2 4.43Å; F184-V186 PolarHBondContact O-N 2.9Å; V186-E190 WeakPolarHBondContact CA-O 3.27Å; V186-E190 HydrophobicContact CB-CB 4.21Å; V186-E190 HydrophobicContact CB-CG 4.1Å; V186-E190 WeakPolarHBondContact CB-O 3.47Å; V186-E190 HydrophobicContact CG1-CG 4.44Å; V186-E190 HydrophobicContact CG2-CG 4.46Å; V186-E190 PolarHBondContact N-O 3.44Å; V186-K192 HydrophobicContact CG2-CB 4.36Å; V186-K192 HydrophobicContact CG2-CD 4.09Å; V186-K192 HydrophobicContact CG2-CG 4.07Å; V186-Y371 WeakPolarHBondContact CG1-O 3.43Å; V186-Y371 WeakPolarHBondContact CG2-O 3.5Å
187T92.6Very high96Very high27 Ų2762.2 Ų62.217%0.16633%0.326CS..EExtended strand (participates in β ladder)trans-143.2172.1173.772.70000109.3N22 N189 E190 F234N22-T187 HydrophobicContact CB-CG2 4.5Å; T187-N189 PolarHBondContact O-N 3.01Å; T187-N189 PolarHBondContact OG1-N 3.13Å; T187-E190 PolarHBondContact N-O 3.34Å; T187-E190 VanDerWaalsContact N-O 3.09Å; T187-E190 PolarHBondContact O-N 2.96Å; T187-E190 VanDerWaalsContact O-N 3.13Å; T187-E190 VanDerWaalsContact O-O 3.07Å; T187-E190 VanDerWaalsContact OG1-CB 3.32Å; T187-E190 WeakPolarHBondContact OG1-CB 3.19Å; T187-E190 PolarHBondContact OG1-N 2.5Å; T187-F234 VanDerWaalsContact C-CZ 3.41Å; T187-F234 WeakPolarHBondContact O-CZ 3.42Å
188P92.7Very high96.1Very high92 Ų9258.7 Ų58.760%0.59730%0.3SS*.THydrogen-bonded Turntrans-54.5-20.7175.6-27.735.1000115.2F234P188-F234 VanDerWaalsContact CA-CZ 3.5Å; P188-F234 HydrophobicContact CB-CD2 4.48Å; P188-F234 HydrophobicContact CB-CE2 4.07Å; P188-F234 HydrophobicContact CB-CZ 4.33Å; P188-F234 HydrophobicContact CG-CD1 4.33Å; P188-F234 HydrophobicContact CG-CD2 3.71Å; P188-F234 HydrophobicContact CG-CE1 4.39Å; P188-F234 HydrophobicContact CG-CE2 3.76Å; P188-F234 HydrophobicContact CG-CG 4Å; P188-F234 HydrophobicContact CG-CZ 4.11Å
189N93.1Very high96.2Very high162 Ų16256.8 Ų56.887%0.86629%0.29SS*.THydrogen-bonded Turntrans-118.23.9-177-58.8-36000113.1T187T187-N189 PolarHBondContact O-N 3.01Å; T187-N189 PolarHBondContact OG1-N 3.13Å
190E94.2Very high96.1Very high69 Ų6961.8 Ų61.832%0.32231%0.311SS..EExtended strand (participates in β ladder)trans-137123-175.7-172.4-178.6-177.500110.6V186 T187 K192V186-E190 WeakPolarHBondContact CA-O 3.27Å; V186-E190 HydrophobicContact CB-CB 4.21Å; V186-E190 HydrophobicContact CB-CG 4.1Å; V186-E190 WeakPolarHBondContact CB-O 3.47Å; V186-E190 HydrophobicContact CG1-CG 4.44Å; V186-E190 HydrophobicContact CG2-CG 4.46Å; V186-E190 PolarHBondContact N-O 3.44Å; T187-E190 PolarHBondContact N-O 3.34Å; T187-E190 VanDerWaalsContact N-O 3.09Å; T187-E190 PolarHBondContact O-N 2.96Å; T187-E190 VanDerWaalsContact O-N 3.13Å; T187-E190 VanDerWaalsContact O-O 3.07Å; T187-E190 VanDerWaalsContact OG1-CB 3.32Å; T187-E190 WeakPolarHBondContact OG1-CB 3.19Å; T187-E190 PolarHBondContact OG1-N 2.5Å; E190-K192 WeakPolarHBondContact OE1-CE 3.43Å; E190-K192 IonicContact OE1-NZ 2.63Å; E190-K192 PolarHBondContact OE1-NZ 2.89Å
191E94.9Very high96Very high118 Ų11857 Ų5755%0.55129%0.291SS*.EExtended strand (participates in β ladder)trans-126.6149.1175.8-65.1179.3-16900109.7T183 F184 F185T183-E191 HydrophobicContact CG2-CB 3.97Å; T183-E191 HydrophobicContact CG2-CG 4.18Å; T183-E191 VanDerWaalsContact CG2-OE2 3.32Å; T183-E191 WeakPolarHBondContact CG2-OE2 3.44Å; F184-E191 CarbonylContact O-C 3.58Å; F184-E191 WeakPolarHBondContact O-CA 3.43Å; F185-E191 HydrophobicContact CD1-CG 3.71Å; F185-E191 WeakPolarHBondContact CD1-OE1 3.24Å; F185-E191 HydrophobicContact CE1-CG 4.18Å; F185-E191 WeakPolarHBondContact CE1-OE1 3.26Å
192K94.9Very high95.9Very high77 Ų7755.3 Ų55.334%0.33529%0.285SS..EExtended strand (participates in β ladder)trans-138.2151.1177.9-68.4-176.7179.5161.80111.3T183 F184 V186 E190 N373T183-K192 CarbonylContact C-O 3.58Å; F184-K192 PolarHBondContact N-O 2.95Å; F184-K192 PolarHBondContact O-N 3.49Å; V186-K192 HydrophobicContact CG2-CB 4.36Å; V186-K192 HydrophobicContact CG2-CD 4.09Å; V186-K192 HydrophobicContact CG2-CG 4.07Å; E190-K192 WeakPolarHBondContact OE1-CE 3.43Å; E190-K192 IonicContact OE1-NZ 2.63Å; E190-K192 PolarHBondContact OE1-NZ 2.89Å; K192-N373 PolarHBondContact NZ-OD1 3.08Å
193M97Very high95.8Very high110 Ų11054.3 Ų54.354%0.54228%0.275SS..EExtended strand (participates in β ladder)trans-85119.1170.2-64-58.6-62.600109.6K181 A182K181-M193 HydrophobicContact CB-CE 3.67Å; A182-M193 WeakPolarHBondContact O-CA 3.47Å
194V96.7Very high95.8Very high11 Ų1154.3 Ų54.37%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-114.2155.4176.2-58.20000110.4K181 A182 F184 M196 P265K181-V194 WeakPolarHBondContact CA-O 2.91Å; A182-V194 PolarHBondContact N-O 3.13Å; A182-V194 PolarHBondContact O-N 3.38Å; F184-V194 HydrophobicContact CB-CB 4.48Å; F184-V194 HydrophobicContact CB-CG1 3.77Å; F184-V194 HydrophobicContact CB-CG2 3.86Å; F184-V194 HydrophobicContact CG-CG1 4.38Å; V194-M196 HydrophobicContact CG2-CE 4.05Å; V194-M196 PolarHBondContact O-N 3.01Å; V194-P265 HydrophobicContact CB-CB 4.45Å; V194-P265 HydrophobicContact CG2-CB 4.05Å; V194-P265 HydrophobicContact CG2-CG 4.18Å
195D97.2Very high95.8Very high61 Ų6155.2 Ų55.233%0.32628%0.275SS..EExtended strand (participates in β ladder)trans-73.8107.9167.9-69.3-49.1000108.5T179 K181 P265 K266T179-D195 HydrophobicContact CG2-CB 3.87Å; K181-D195 WeakPolarHBondContact CD-OD1 3.48Å; K181-D195 WeakPolarHBondContact CE-OD1 3.4Å; K181-D195 IonicContact NZ-OD1 3.95Å; K181-D195 PolarHBondContact NZ-OD1 3.09Å; K181-D195 IonicContact NZ-OD2 3.65Å; K181-D195 PolarHBondContact NZ-OD2 2.88Å; D195-P265 CarbonylContact O-C 3.48Å; D195-P265 WeakPolarHBondContact O-CA 3.47Å; D195-K266 HydrophobicContact CB-CB 4.12Å; D195-K266 PolarHBondContact O-N 3.24Å
196M98Very high95.9Very high7 Ų754 Ų543%0.03427%0.273CS..EExtended strand (participates in β ladder)trans-97.6110.8-177.6-171.968.871.900109.1T179 K180 A182 V194 R263 I264 P265 D349T179-M196 WeakPolarHBondContact CA-O 3.43Å; K180-M196 PolarHBondContact N-O 3Å; K180-M196 WeakPolarHBondContact O-CB 3.34Å; K180-M196 PolarHBondContact O-N 3.3Å; A182-M196 HydrophobicContact CB-CB 3.65Å; A182-M196 HydrophobicContact CB-CE 4.28Å; A182-M196 HydrophobicContact CB-CG 4.15Å; V194-M196 HydrophobicContact CG2-CE 4.05Å; V194-M196 PolarHBondContact O-N 3.01Å; M196-R263 HydrophobicContact CG-CB 3.85Å; M196-R263 VanDerWaalsContact SD-C 3.57Å; M196-R263 HydrophobicContact SD-CB 3.86Å; M196-I264 PolarHBondContact SD-N 2.87Å; M196-I264 VanDerWaalsContact SD-N 3.44Å; M196-P265 HydrophobicContact CE-CG 4.01Å; M196-P265 HydrophobicContact SD-CG 4.13Å; M196-D349 HydrophobicContact CE-CB 4.36Å
197M98Very high96Very high0 Ų058.8 Ų58.80%030%0.295CS..EExtended strand (participates in β ladder)trans-75.3146.5173-50.5-179.7-64.500108.6F174 T179 R263 I264 K266 I317 E319F174-M197 HydrophobicContact CB-CB 4.22Å; F174-M197 HydrophobicContact CD1-CB 3.58Å; F174-M197 HydrophobicContact CD2-CB 4.2Å; F174-M197 HydrophobicContact CD2-CE 4.12Å; F174-M197 HydrophobicContact CD2-SD 3.99Å; F174-M197 HydrophobicContact CE1-CB 3.87Å; F174-M197 HydrophobicContact CE2-CB 4.45Å; F174-M197 HydrophobicContact CE2-CE 3.83Å; F174-M197 HydrophobicContact CE2-SD 4.32Å; F174-M197 HydrophobicContact CG-CB 3.75Å; F174-M197 HydrophobicContact CG-SD 4.35Å; F174-M197 HydrophobicContact CZ-CB 4.3Å; F174-M197 HydrophobicContact CZ-CE 4.24Å; T179-M197 HydrophobicContact CG2-CG 4.35Å; M197-R263 CarbonylContact O-C 3.5Å; M197-R263 VanDerWaalsContact O-CA 3.24Å; M197-R263 WeakPolarHBondContact O-CA 3.33Å; M197-I264 WeakPolarHBondContact CB-O 3.36Å; M197-I264 HydrophobicContact CE-CB 4.38Å; M197-I264 HydrophobicContact CE-CG2 4.3Å; M197-I264 PolarHBondContact N-O 2.95Å; M197-I264 PolarHBondContact O-N 3.32Å; M197-K266 HydrophobicContact CG-CB 4.14Å; M197-K266 HydrophobicContact SD-CB 4.19Å; M197-I317 HydrophobicContact CE-CG2 3.84Å; M197-E319 HydrophobicContact CG-CG 4.05Å; M197-E319 HydrophobicContact SD-CB 4.38Å; M197-E319 HydrophobicContact SD-CG 3.93Å; M197-E319 PolarHBondContact SD-N 3.25Å
198Q97.2Very high96.1Very high39 Ų3959.3 Ų59.318%0.18230%0.298CS..EExtended strand (participates in β ladder)trans-144.4144.8-17964.8-174.2-8.500112.8L178 V262 R263L178-Q198 HydrophobicContact CB-CG 3.8Å; L178-Q198 VanDerWaalsContact O-CD 3.31Å; L178-Q198 WeakPolarHBondContact O-CG 3.37Å; L178-Q198 PolarHBondContact O-NE2 3.14Å; Q198-V262 VanDerWaalsContact CA-O 3.22Å; Q198-V262 WeakPolarHBondContact CA-O 3.29Å; Q198-R263 HydrophobicContact CB-CG 4Å
199M96Very high96.2Very high24 Ų2462.6 Ų62.612%0.11831%0.311CS..EExtended strand (participates in β ladder)trans-155.7163.9172.766.4171.17200110.2F174 Q201 L203 M216 V262F174-M199 HydrophobicContact CB-CE 4.1Å; F174-M199 HydrophobicContact CD1-CB 4.06Å; F174-M199 HydrophobicContact CD1-CE 3.27Å; F174-M199 HydrophobicContact CD1-CG 3.95Å; F174-M199 HydrophobicContact CD1-SD 4.42Å; F174-M199 HydrophobicContact CD2-CE 3.53Å; F174-M199 HydrophobicContact CE1-CB 4.32Å; F174-M199 HydrophobicContact CE1-CE 3.44Å; F174-M199 VanDerWaalsContact CE1-CE 3.44Å; F174-M199 HydrophobicContact CE1-CG 3.74Å; F174-M199 HydrophobicContact CE1-SD 4.26Å; F174-M199 HydrophobicContact CE2-CE 3.67Å; F174-M199 HydrophobicContact CG-CE 3.33Å; F174-M199 HydrophobicContact CZ-CE 3.63Å; M199-Q201 HydrophobicContact CG-CB 4.46Å; M199-Q201 HydrophobicContact SD-CB 3.92Å; M199-L203 HydrophobicContact SD-CD1 4.29Å; M199-M216 HydrophobicContact CE-CE 4.15Å; M199-V262 HydrophobicContact CG-CB 4.13Å; M199-V262 PolarHBondContact N-O 3.49Å; M199-V262 PolarHBondContact O-N 3.32Å
200E95.9Very high96.4Very high129 Ų12957.4 Ų57.460%0.60328%0.281SS*.EExtended strand (participates in β ladder)trans-118.6120.2164.1-173.2175.7158.700107.3V260E200-V260 WeakPolarHBondContact CA-O 3.21Å
201Q94.9Very high96.6Very high32 Ų3254.1 Ų54.115%0.1527%0.266CS..EExtended strand (participates in β ladder)trans-158.5154.4-173.9-17355.1-77.900112.5I172 M199 L203 V260I172-Q201 HydrophobicContact CD1-CG 3.59Å; I172-Q201 HydrophobicContact CG2-CG 4.13Å; M199-Q201 HydrophobicContact CG-CB 4.46Å; M199-Q201 HydrophobicContact SD-CB 3.92Å; Q201-L203 HydrophobicContact CB-CD1 4.37Å; Q201-L203 HydrophobicContact CB-CG 4.24Å; Q201-L203 HydrophobicContact CG-CD2 4.46Å; Q201-L203 HydrophobicContact CG-CG 4.24Å; Q201-L203 PolarHBondContact O-N 2.93Å; Q201-V260 PolarHBondContact N-O 3.38Å; Q201-V260 PolarHBondContact O-N 2.73Å
202E96.1Very high96.7Very high86 Ų8649.9 Ų49.940%0.40225%0.246SC..EExtended strand (participates in β ladder)trans-69.8108.6166.5-167.1178.785.200110.5P257 T258 M332E202-P257 HydrophobicContact CG-CB 3.95Å; E202-T258 VanDerWaalsContact CA-O 3.31Å; E202-T258 WeakPolarHBondContact CA-O 3.29Å; E202-M332 HydrophobicContact CB-CE 4.42Å; E202-M332 HydrophobicContact CB-SD 4.27Å
203L96.3Very high96.9Very high7 Ų746.2 Ų46.24%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-132.2167-179.6-68.9170.1000110.2M199 Q201 Y205 L214 M216 P257 T258 V262M199-L203 HydrophobicContact SD-CD1 4.29Å; Q201-L203 HydrophobicContact CB-CD1 4.37Å; Q201-L203 HydrophobicContact CB-CG 4.24Å; Q201-L203 HydrophobicContact CG-CD2 4.46Å; Q201-L203 HydrophobicContact CG-CG 4.24Å; Q201-L203 PolarHBondContact O-N 2.93Å; L203-Y205 PolarHBondContact O-N 2.89Å; L203-L214 HydrophobicContact CB-CD1 3.86Å; L203-L214 HydrophobicContact CD1-CD1 4.08Å; L203-M216 HydrophobicContact CD1-CG 4.26Å; L203-P257 CarbonylContact O-C 3.51Å; L203-P257 WeakPolarHBondContact O-CA 3.47Å; L203-T258 PolarHBondContact N-O 3.02Å; L203-T258 PolarHBondContact O-N 3.47Å; L203-V262 HydrophobicContact CD1-CG2 3.78Å
204Q97.4Very high97Very high54 Ų5441 Ų4125%0.25220%0.204SC..EExtended strand (participates in β ladder)trans-70.1119174.4-58-59.5-48.200108.5L214 G215 I224 A255Q204-L214 CarbonylContact O-C 3.59Å; Q204-L214 WeakPolarHBondContact O-CA 3.48Å; Q204-G215 PolarHBondContact N-O 3.02Å; Q204-G215 PolarHBondContact O-N 3.43Å; Q204-I224 HydrophobicContact CG-CD1 4.14Å; Q204-A255 HydrophobicContact CB-CB 3.94Å; Q204-A255 PolarHBondContact OE1-O 2.77Å; Q204-A255 VanDerWaalsContact OE1-O 3.13Å
205Y98.4Very high97Very high18 Ų1840.4 Ų40.47%0.07120%0.201CC..EExtended strand (participates in β ladder)trans-132.2141.9-178.9179.4-96.6000111.1L203 E207 Q212 I213 A255 V256 T258 V260 P344 F346L203-Y205 PolarHBondContact O-N 2.89Å; Y205-E207 HydrophobicContact CE1-CG 4.37Å; Y205-E207 PolarHBondContact OH-OE2 2.98Å; Y205-Q212 HydrophobicContact CE2-CB 4.32Å; Y205-Q212 PolarHBondContact OH-NE2 2.93Å; Y205-I213 WeakPolarHBondContact CA-O 3.22Å; Y205-I213 WeakPolarHBondContact CD2-O 3.19Å; Y205-A255 CarbonylContact O-C 3.56Å; Y205-A255 WeakPolarHBondContact O-CA 3.18Å; Y205-V256 PolarHBondContact N-O 3.27Å; Y205-V256 PolarHBondContact O-N 2.81Å; Y205-T258 HydrophobicContact CD1-CG2 4.38Å; Y205-V260 HydrophobicContact CD2-CG1 4.22Å; Y205-V260 HydrophobicContact CD2-CG2 3.96Å; Y205-V260 HydrophobicContact CG-CG2 3.9Å; Y205-P344 HydrophobicContact CD1-CB 4.46Å; Y205-P344 HydrophobicContact CD1-CG 4.07Å; Y205-P344 HydrophobicContact CE1-CB 3.84Å; Y205-P344 HydrophobicContact CE1-CG 3.93Å; Y205-P344 HydrophobicContact CE2-CB 4.2Å; Y205-P344 HydrophobicContact CG-CG 4.47Å; Y205-F346 HydrophobicContact CE2-CD2 4.29Å
206G97.6Very high97Very high9 Ų937.7 Ų37.79%0.09319%0.186CC..EExtended strand (participates in β ladder)trans-153.5166.1169.900000110.1I213G206-I213 PolarHBondContact N-O 2.83Å; G206-I213 PolarHBondContact O-N 3.25Å
207E96.6Very high96.8Very high103 Ų10338.7 Ų38.748%0.48119%0.193SC..EExtended strand (participates in β ladder)trans-148.3154.9173.658.9173.6-104.800111.7Y205 Y211 Q212 K231Y205-E207 HydrophobicContact CE1-CG 4.37Å; Y205-E207 PolarHBondContact OH-OE2 2.98Å; E207-Y211 WeakPolarHBondContact CA-O 3.33Å; E207-Q212 HydrophobicContact CB-CG 4.3Å; E207-K231 IonicContact OE1-NZ 3.87Å; E207-K231 PolarHBondContact OE1-NZ 2.63Å
208T95.6Very high96.6Very high38 Ų3838.8 Ų38.823%0.23319%0.194CC..  trans-117.1-179.2170.166.70000108.6E210 Y211 I213 K231T208-E210 PolarHBondContact O-N 3.05Å; T208-E210 PolarHBondContact OG1-N 3.46Å; T208-E210 VanDerWaalsContact OG1-N 3.16Å; T208-Y211 HydrophobicContact CG2-CD2 4.42Å; T208-Y211 HydrophobicContact CG2-CE1 4.37Å; T208-Y211 HydrophobicContact CG2-CE2 3.92Å; T208-Y211 PolarHBondContact N-O 3Å; T208-Y211 WeakPolarHBondContact OG1-CD1 3.4Å; T208-Y211 PolarHBondContact OG1-N 2.87Å; T208-Y211 PolarHBondContact OG1-O 3.37Å; T208-I213 HydrophobicContact CG2-CD1 4.43Å; T208-K231 WeakPolarHBondContact O-CE 3.42Å; T208-K231 PolarHBondContact O-NZ 3.01Å
209D94.7Very high96.2Very high160 Ų16039.5 Ų39.586%0.85620%0.2SC*.SBendtrans-63.5-18.4170.8-62.4-27.4000112.9
210E96.3Very high95.8Very high54 Ų5439.5 Ų39.525%0.25220%0.203SC..SBendtrans-109.8-30.4-170.7-58.1-175.2115.300114T208 K231 V239 K242 K247T208-E210 PolarHBondContact O-N 3.05Å; T208-E210 PolarHBondContact OG1-N 3.46Å; T208-E210 VanDerWaalsContact OG1-N 3.16Å; E210-K231 PolarHBondContact O-N 2.84Å; E210-V239 HydrophobicContact CB-CG2 4.48Å; E210-K242 WeakPolarHBondContact OE1-CD 3.18Å; E210-K242 WeakPolarHBondContact OE1-CE 3.38Å; E210-K242 IonicContact OE1-NZ 2.71Å; E210-K242 PolarHBondContact OE1-NZ 3.36Å; E210-K247 IonicContact OE2-NZ 3.21Å; E210-K247 PolarHBondContact OE2-NZ 3.45Å
211Y98.2Very high95.3Very high0 Ų037.5 Ų37.50%020%0.196CC..EExtended strand (participates in β ladder)trans-156.3155.3-173.856.3-95.8000112.7E207 T208 I213 V228 L229 V239 L243 K247 S251E207-Y211 WeakPolarHBondContact CA-O 3.33Å; T208-Y211 HydrophobicContact CG2-CD2 4.42Å; T208-Y211 HydrophobicContact CG2-CE1 4.37Å; T208-Y211 HydrophobicContact CG2-CE2 3.92Å; T208-Y211 PolarHBondContact N-O 3Å; T208-Y211 WeakPolarHBondContact OG1-CD1 3.4Å; T208-Y211 PolarHBondContact OG1-N 2.87Å; T208-Y211 PolarHBondContact OG1-O 3.37Å; Y211-I213 HydrophobicContact CD2-CD1 3.58Å; Y211-I213 HydrophobicContact CD2-CG1 3.9Å; Y211-I213 HydrophobicContact CE2-CD1 3.52Å; Y211-I213 HydrophobicContact CE2-CG1 3.82Å; Y211-V228 HydrophobicContact CD2-CG1 3.51Å; Y211-V228 HydrophobicContact CE2-CG1 3.96Å; Y211-V228 HydrophobicContact CG-CG1 3.82Å; Y211-L229 CarbonylContact C-O 3.57Å; Y211-L229 WeakPolarHBondContact CA-O 3.24Å; Y211-L229 WeakPolarHBondContact CB-O 3.32Å; Y211-V239 HydrophobicContact CD1-CG1 3.66Å; Y211-V239 HydrophobicContact CD1-CG2 4.05Å; Y211-V239 HydrophobicContact CE1-CG1 4.07Å; Y211-V239 HydrophobicContact CG-CG1 4.3Å; Y211-L243 HydrophobicContact CE1-CD2 4.27Å; Y211-K247 WeakPolarHBondContact OH-CE 3.04Å; Y211-S251 PolarHBondContact OH-OG 3.15Å
212Q98.4Very high95Very high28 Ų2840.7 Ų40.713%0.13121%0.21CC..EExtended strand (participates in β ladder)trans-93.1154168.3-59.9173.7-80.900110.4Y205 E207 V228 L229 R345 F346Y205-Q212 HydrophobicContact CE2-CB 4.32Å; Y205-Q212 PolarHBondContact OH-NE2 2.93Å; E207-Q212 HydrophobicContact CB-CG 4.3Å; Q212-V228 WeakPolarHBondContact O-CA 3.21Å; Q212-L229 PolarHBondContact N-O 2.75Å; Q212-L229 PolarHBondContact O-N 3.15Å; Q212-R345 PolarHBondContact NE2-O 2.57Å; Q212-F346 HydrophobicContact CB-CD2 3.76Å; Q212-F346 HydrophobicContact CB-CE2 3.73Å
213I98.5Very high94.8Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-125.5132175.5-55.588.9000108.4Y205 G206 T208 Y211 Y226 F227 F252 A255Y205-I213 WeakPolarHBondContact CA-O 3.22Å; Y205-I213 WeakPolarHBondContact CD2-O 3.19Å; G206-I213 PolarHBondContact N-O 2.83Å; G206-I213 PolarHBondContact O-N 3.25Å; T208-I213 HydrophobicContact CG2-CD1 4.43Å; Y211-I213 HydrophobicContact CD2-CD1 3.58Å; Y211-I213 HydrophobicContact CD2-CG1 3.9Å; Y211-I213 HydrophobicContact CE2-CD1 3.52Å; Y211-I213 HydrophobicContact CE2-CG1 3.82Å; I213-Y226 HydrophobicContact CG2-CD1 4.02Å; I213-F227 VanDerWaalsContact CA-O 3.31Å; I213-F227 WeakPolarHBondContact CA-O 3.03Å; I213-F252 HydrophobicContact CG2-CD1 4.26Å; I213-A255 HydrophobicContact CG2-CB 4.42Å
214L98.6Very high94.8Very high0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-126.7126.2170.3-178.476.8000109.5L203 Q204 M216 Y226 F227 V262 I264 F346L203-L214 HydrophobicContact CB-CD1 3.86Å; L203-L214 HydrophobicContact CD1-CD1 4.08Å; Q204-L214 CarbonylContact O-C 3.59Å; Q204-L214 WeakPolarHBondContact O-CA 3.48Å; L214-M216 HydrophobicContact CD2-CG 3.99Å; L214-M216 HydrophobicContact CD2-SD 4.08Å; L214-M216 HydrophobicContact CG-CG 4.17Å; L214-Y226 CarbonylContact O-C 3.55Å; L214-Y226 VanDerWaalsContact O-CA 3.25Å; L214-Y226 WeakPolarHBondContact O-CA 3.4Å; L214-F227 HydrophobicContact CB-CB 4.41Å; L214-F227 HydrophobicContact CD2-CD2 4.34Å; L214-F227 PolarHBondContact N-O 2.92Å; L214-F227 PolarHBondContact O-N 2.91Å; L214-V262 HydrophobicContact CD1-CG2 3.93Å; L214-V262 HydrophobicContact CD2-CB 4.38Å; L214-V262 HydrophobicContact CD2-CG1 3.6Å; L214-V262 HydrophobicContact CD2-CG2 3.8Å; L214-I264 HydrophobicContact CD2-CD1 3.78Å; L214-F346 HydrophobicContact CB-CD1 4.03Å; L214-F346 HydrophobicContact CB-CD2 3.71Å; L214-F346 HydrophobicContact CB-CE1 3.96Å; L214-F346 HydrophobicContact CB-CE2 3.62Å; L214-F346 HydrophobicContact CB-CG 3.91Å; L214-F346 HydrophobicContact CB-CZ 3.76Å; L214-F346 HydrophobicContact CD2-CD1 3.75Å; L214-F346 HydrophobicContact CD2-CE1 4.08Å; L214-F346 HydrophobicContact CD2-CG 4.12Å; L214-F346 HydrophobicContact CG-CD1 4.48Å; L214-F346 HydrophobicContact CG-CG 4.47Å
215G97.8Very high94.8Very high0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-107.8117.2173.800000111.4Q204 M225Q204-G215 PolarHBondContact N-O 3.02Å; Q204-G215 PolarHBondContact O-N 3.43Å; G215-M225 CarbonylContact C-O 3.52Å; G215-M225 WeakPolarHBondContact CA-O 3.5Å
216M96.3Very high94.8Very high4 Ų433.7 Ų33.72%0.0218%0.177CC..EExtended strand (participates in β ladder)trans-109.2112.3179.2-66.6-167.766.300110.9W170 F174 M199 L203 L214 M225 F227 I264W170-M216 HydrophobicContact CD2-CE 4.3Å; W170-M216 HydrophobicContact CE3-CB 4.12Å; W170-M216 HydrophobicContact CE3-CE 4.4Å; W170-M216 HydrophobicContact CH2-CB 4.45Å; W170-M216 HydrophobicContact CZ3-CB 3.8Å; F174-M216 HydrophobicContact CE2-CE 3.59Å; F174-M216 HydrophobicContact CE2-SD 4.36Å; F174-M216 HydrophobicContact CZ-CE 3.67Å; F174-M216 HydrophobicContact CZ-SD 4.1Å; M199-M216 HydrophobicContact CE-CE 4.15Å; L203-M216 HydrophobicContact CD1-CG 4.26Å; L214-M216 HydrophobicContact CD2-CG 3.99Å; L214-M216 HydrophobicContact CD2-SD 4.08Å; L214-M216 HydrophobicContact CG-CG 4.17Å; M216-M225 PolarHBondContact N-O 2.97Å; M216-M225 PolarHBondContact O-N 2.77Å; M216-F227 HydrophobicContact CB-CE2 4.44Å; M216-F227 HydrophobicContact CG-CD2 4.48Å; M216-F227 HydrophobicContact CG-CE2 4.12Å; M216-F227 HydrophobicContact SD-CD2 4.48Å; M216-F227 HydrophobicContact SD-CE2 3.82Å; M216-I264 HydrophobicContact SD-CD1 3.6Å; M216-I264 VanDerWaalsContact SD-CD1 3.6Å
217P94.7Very high94.8Very high27 Ų2733.3 Ų33.318%0.17517%0.173CC..EExtended strand (participates in β ladder)trans-73.3142.9179.528.2-32.1000111.9K171K171-P217 HydrophobicContact CB-CB 4.26Å; K171-P217 HydrophobicContact CB-CG 4.07Å; K171-P217 WeakPolarHBondContact CB-O 3.2Å; K171-P217 HydrophobicContact CD-CB 4.29Å; K171-P217 HydrophobicContact CD-CG 4.16Å; K171-P217 PolarHBondContact N-O 2.81Å
218Y92.6Very high94.9Very high3 Ų328.4 Ų28.41%0.01215%0.15CC..BIsolated β-bridgetrans-84.3169166.8-69.5-78.5000111F166 A168 N169 W170 S220 L223 M225 I356F166-Y218 HydrophobicContact CE1-CE1 4.23Å; F166-Y218 HydrophobicContact CE1-CE2 4Å; F166-Y218 AromaticContact CE1-CZ 3.76Å; F166-Y218 HydrophobicContact CZ-CD2 4.28Å; F166-Y218 HydrophobicContact CZ-CE1 4.45Å; F166-Y218 HydrophobicContact CZ-CE2 4.03Å; A168-Y218 HydrophobicContact CB-CD1 3.41Å; A168-Y218 VanDerWaalsContact CB-CD1 3.41Å; A168-Y218 HydrophobicContact CB-CE1 3.86Å; A168-Y218 HydrophobicContact CB-CG 3.84Å; A168-Y218 WeakPolarHBondContact O-CD1 3.25Å; A168-Y218 VanDerWaalsContact O-CE1 3.3Å; A168-Y218 WeakPolarHBondContact O-CE1 3.44Å; N169-Y218 CarbonylContact O-C 3.37Å; N169-Y218 WeakPolarHBondContact O-CA 3.21Å; N169-Y218 WeakPolarHBondContact O-CB 3.22Å; N169-Y218 WeakPolarHBondContact O-CD1 3.37Å; W170-Y218 HydrophobicContact CD2-CD1 4.4Å; W170-Y218 HydrophobicContact CD2-CE1 4.14Å; W170-Y218 AromaticContact CE3-CD1 3.72Å; W170-Y218 HydrophobicContact CE3-CD1 3.72Å; W170-Y218 AromaticContact CE3-CE1 3.54Å; W170-Y218 HydrophobicContact CE3-CE1 3.54Å; W170-Y218 HydrophobicContact CE3-CG 4.34Å; W170-Y218 AromaticContact CH2-CE1 3.86Å; W170-Y218 HydrophobicContact CH2-CE1 3.86Å; W170-Y218 AromaticContact CH2-CZ 3.73Å; W170-Y218 WeakPolarHBondContact CH2-OH 3.42Å; W170-Y218 HydrophobicContact CZ2-CE1 4.4Å; W170-Y218 AromaticContact CZ3-CD1 3.94Å; W170-Y218 HydrophobicContact CZ3-CD1 3.94Å; W170-Y218 HydrophobicContact CZ3-CD2 4.41Å; W170-Y218 AromaticContact CZ3-CE1 3.38Å; W170-Y218 HydrophobicContact CZ3-CE1 3.38Å; W170-Y218 AromaticContact CZ3-CE2 3.93Å; W170-Y218 HydrophobicContact CZ3-CE2 3.93Å; W170-Y218 HydrophobicContact CZ3-CG 4.43Å; W170-Y218 AromaticContact CZ3-CZ 3.37Å; Y218-S220 CarbonylContact O-C 3.5Å; Y218-S220 PolarHBondContact O-N 2.89Å; Y218-S220 VanDerWaalsContact O-N 3.14Å; Y218-L223 HydrophobicContact CD2-CB 3.83Å; Y218-L223 HydrophobicContact CG-CB 4.42Å; Y218-L223 PolarHBondContact N-O 3.11Å; Y218-M225 HydrophobicContact CE2-CB 3.82Å; Y218-M225 PolarHBondContact OH-SD 2.99Å; Y218-M225 VanDerWaalsContact OH-SD 3.37Å; Y218-I356 HydrophobicContact CE2-CD1 4.36Å; Y218-I356 HydrophobicContact CE2-CG1 4.41Å; Y218-I356 HydrophobicContact CE2-CG2 4.26Å
219V90Very high95Very high53 Ų5326.7 Ų26.732%0.32114%0.139SC..SBendtrans-54.2-29172.8-69.70000113.1N82 N169 W170 D221N82-V219 WeakPolarHBondContact O-CG2 3.21Å; N169-V219 HydrophobicContact CB-CG1 3.73Å; N169-V219 HydrophobicContact CB-CG2 4.1Å; N169-V219 WeakPolarHBondContact O-CG1 3.49Å; N169-V219 WeakPolarHBondContact O-CG2 3.38Å; N169-V219 PolarHBondContact O-N 3Å; W170-V219 WeakPolarHBondContact O-CG1 3.5Å; V219-D221 PolarHBondContact O-N 2.8Å
220S87.5Confident95.2Very high25 Ų2519.1 Ų19.118%0.17510%0.099CC..SBendtrans-80.6110164.7-172.10000108.4Y218 K222 L223Y218-S220 CarbonylContact O-C 3.5Å; Y218-S220 PolarHBondContact O-N 2.89Å; Y218-S220 VanDerWaalsContact O-N 3.14Å; S220-K222 PolarHBondContact O-N 3.15Å; S220-L223 PolarHBondContact O-N 3.39Å
221D84Confident95.3Very high86 Ų8620.7 Ų20.746%0.4611%0.105SC..THydrogen-bonded Turntrans-58.6-7.2175.5-71.3-45.6000113.1K171 V219 R359K171-D221 IonicContact NZ-OD1 2.75Å; K171-D221 PolarHBondContact NZ-OD1 3.02Å; V219-D221 PolarHBondContact O-N 2.8Å; D221-R359 PolarHBondContact O-NE 3.43Å; D221-R359 PolarHBondContact O-NH2 3.34Å
222K89.5Confident95.2Very high100 Ų10027.7 Ų27.744%0.43514%0.137SC..THydrogen-bonded Turntrans-80.2-22.7172.8-62.2-178.6-179.11780113.1Y78 S220 R359 P360Y78-K222 HydrophobicContact CE1-CB 3.88Å; Y78-K222 HydrophobicContact CE1-CD 4.12Å; S220-K222 PolarHBondContact O-N 3.15Å; K222-R359 PolarHBondContact O-N 2.75Å; K222-P360 HydrophobicContact CB-CG 4.07Å; K222-P360 HydrophobicContact CD-CG 4.17Å; K222-P360 HydrophobicContact CG-CG 3.85Å
223L92.5Very high95Very high0 Ų030.4 Ų30.40%015%0.149CC..EExtended strand (participates in β ladder)trans-112.2133.6-171.7-65.6174.1000111.5Y78 F166 Y218 S220 I356 D358 L365Y78-L223 HydrophobicContact CD1-CD1 3.75Å; Y78-L223 HydrophobicContact CD1-CD2 4.48Å; Y78-L223 HydrophobicContact CD1-CG 3.99Å; Y78-L223 HydrophobicContact CD2-CD1 4.27Å; Y78-L223 HydrophobicContact CE1-CD1 3.97Å; Y78-L223 HydrophobicContact CE1-CD2 3.86Å; Y78-L223 HydrophobicContact CE1-CG 3.72Å; Y78-L223 HydrophobicContact CE2-CD1 4.44Å; Y78-L223 HydrophobicContact CE2-CD2 4.16Å; Y78-L223 HydrophobicContact CG-CD1 3.92Å; F166-L223 HydrophobicContact CE2-CD1 3.56Å; F166-L223 HydrophobicContact CZ-CD1 3.86Å; Y218-L223 HydrophobicContact CD2-CB 3.83Å; Y218-L223 HydrophobicContact CG-CB 4.42Å; Y218-L223 PolarHBondContact N-O 3.11Å; S220-L223 PolarHBondContact O-N 3.39Å; L223-I356 HydrophobicContact CD2-CG2 4.42Å; L223-D358 HydrophobicContact CD2-CB 4.34Å; L223-L365 HydrophobicContact CD2-CD1 3.64Å
224I95.4Very high94.8Very high1 Ų134.7 Ų34.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-135.8136.9175.1-173.3160.9000109.2Q204 Y226 I356 M357 R359Q204-I224 HydrophobicContact CG-CD1 4.14Å; I224-Y226 HydrophobicContact CB-CE2 4.44Å; I224-Y226 HydrophobicContact CD1-CE1 3.99Å; I224-Y226 HydrophobicContact CD1-CE2 4.45Å; I224-Y226 HydrophobicContact CG1-CE1 4.38Å; I224-Y226 HydrophobicContact CG1-CE2 4.29Å; I224-Y226 HydrophobicContact CG2-CD2 4.06Å; I224-Y226 HydrophobicContact CG2-CE2 3.36Å; I224-I356 WeakPolarHBondContact O-CA 3.1Å; I224-M357 HydrophobicContact CG2-CB 4.18Å; I224-M357 PolarHBondContact N-O 2.92Å; I224-M357 PolarHBondContact O-N 2.81Å; I224-R359 HydrophobicContact CB-CG 4.47Å; I224-R359 HydrophobicContact CG2-CG 3.69Å
225M97Very high94.7Very high0 Ų035.1 Ų35.10%017%0.172CC..EExtended strand (participates in β ladder)trans-96.3124.2168.7-171.8161.9-177.600109.1W170 G215 M216 Y218 F227 F267 I315 I317 F354 A355 I356W170-M225 HydrophobicContact CH2-CB 3.92Å; W170-M225 HydrophobicContact CH2-CG 4.3Å; W170-M225 HydrophobicContact CH2-SD 3.57Å; W170-M225 VanDerWaalsContact CH2-SD 3.57Å; W170-M225 HydrophobicContact CZ2-SD 4.45Å; W170-M225 HydrophobicContact CZ3-CB 3.84Å; W170-M225 HydrophobicContact CZ3-SD 4.4Å; G215-M225 CarbonylContact C-O 3.52Å; G215-M225 WeakPolarHBondContact CA-O 3.5Å; M216-M225 PolarHBondContact N-O 2.97Å; M216-M225 PolarHBondContact O-N 2.77Å; Y218-M225 HydrophobicContact CE2-CB 3.82Å; Y218-M225 PolarHBondContact OH-SD 2.99Å; Y218-M225 VanDerWaalsContact OH-SD 3.37Å; M225-F227 HydrophobicContact CB-CE2 4.35Å; M225-F227 HydrophobicContact CE-CE1 3.68Å; M225-F227 HydrophobicContact CE-CE2 4.49Å; M225-F227 HydrophobicContact CE-CZ 3.66Å; M225-F227 HydrophobicContact CG-CD2 4.46Å; M225-F227 HydrophobicContact CG-CE2 3.84Å; M225-F227 HydrophobicContact CG-CZ 3.92Å; M225-F227 HydrophobicContact SD-CE1 4.31Å; M225-F227 HydrophobicContact SD-CE2 4.15Å; M225-F227 HydrophobicContact SD-CZ 3.66Å; M225-F267 HydrophobicContact CE-CZ 4.48Å; M225-I315 HydrophobicContact CE-CD1 4.49Å; M225-I317 HydrophobicContact CE-CD1 3.75Å; M225-I317 HydrophobicContact CE-CG1 4.05Å; M225-I317 HydrophobicContact SD-CD1 3.47Å; M225-I317 WeakPolarHBondContact SD-CD1 3.38Å; M225-I317 HydrophobicContact SD-CG1 4.36Å; M225-F354 HydrophobicContact CE-CB 3.51Å; M225-F354 HydrophobicContact CE-CD2 3.37Å; M225-F354 HydrophobicContact CE-CE2 4.2Å; M225-F354 HydrophobicContact CE-CG 3.56Å; M225-A355 CarbonylContact C-O 3.35Å; M225-A355 WeakPolarHBondContact CA-O 3.14Å; M225-I356 HydrophobicContact CB-CG1 4.25Å; M225-I356 HydrophobicContact CG-CG1 4.06Å; M225-I356 HydrophobicContact SD-CG1 4.26Å
226Y98.1Very high94.6Very high17 Ų1735.2 Ų35.27%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-99.2137170.2-68-76.4000110.3I213 L214 I224 F252 F354 A355 M357I213-Y226 HydrophobicContact CG2-CD1 4.02Å; L214-Y226 CarbonylContact O-C 3.55Å; L214-Y226 VanDerWaalsContact O-CA 3.25Å; L214-Y226 WeakPolarHBondContact O-CA 3.4Å; I224-Y226 HydrophobicContact CB-CE2 4.44Å; I224-Y226 HydrophobicContact CD1-CE1 3.99Å; I224-Y226 HydrophobicContact CD1-CE2 4.45Å; I224-Y226 HydrophobicContact CG1-CE1 4.38Å; I224-Y226 HydrophobicContact CG1-CE2 4.29Å; I224-Y226 HydrophobicContact CG2-CD2 4.06Å; I224-Y226 HydrophobicContact CG2-CE2 3.36Å; Y226-F252 HydrophobicContact CD1-CB 4.36Å; Y226-F252 AromaticContact CD1-CD1 3.68Å; Y226-F252 HydrophobicContact CD1-CD1 3.68Å; Y226-F252 HydrophobicContact CD1-CE1 4.21Å; Y226-F252 HydrophobicContact CD1-CG 4.1Å; Y226-F252 HydrophobicContact CD2-CB 4.21Å; Y226-F252 AromaticContact CD2-CD1 3.73Å; Y226-F252 HydrophobicContact CD2-CD1 3.73Å; Y226-F252 AromaticContact CD2-CD2 3.67Å; Y226-F252 HydrophobicContact CD2-CD2 3.67Å; Y226-F252 AromaticContact CD2-CE1 3.93Å; Y226-F252 HydrophobicContact CD2-CE1 3.93Å; Y226-F252 AromaticContact CD2-CE2 3.86Å; Y226-F252 HydrophobicContact CD2-CE2 3.86Å; Y226-F252 AromaticContact CD2-CG 3.6Å; Y226-F252 HydrophobicContact CD2-CG 3.6Å; Y226-F252 AromaticContact CD2-CZ 3.99Å; Y226-F252 HydrophobicContact CD2-CZ 3.99Å; Y226-F252 HydrophobicContact CE1-CB 3.98Å; Y226-F252 HydrophobicContact CE1-CD1 4.18Å; Y226-F252 HydrophobicContact CE1-CG 4.2Å; Y226-F252 HydrophobicContact CE2-CB 3.78Å; Y226-F252 HydrophobicContact CE2-CD1 4.2Å; Y226-F252 AromaticContact CE2-CD2 3.83Å; Y226-F252 HydrophobicContact CE2-CD2 3.83Å; Y226-F252 HydrophobicContact CE2-CE2 4.44Å; Y226-F252 AromaticContact CE2-CG 3.68Å; Y226-F252 HydrophobicContact CE2-CG 3.68Å; Y226-F252 HydrophobicContact CG-CB 4.47Å; Y226-F252 AromaticContact CG-CD1 3.43Å; Y226-F252 HydrophobicContact CG-CD1 3.43Å; Y226-F252 VanDerWaalsContact CG-CD1 3.43Å; Y226-F252 HydrophobicContact CG-CD2 4.25Å; Y226-F252 AromaticContact CG-CE1 3.58Å; Y226-F252 HydrophobicContact CG-CE1 3.58Å; Y226-F252 HydrophobicContact CG-CE2 4.36Å; Y226-F252 AromaticContact CG-CG 3.81Å; Y226-F252 HydrophobicContact CG-CG 3.81Å; Y226-F252 HydrophobicContact CG-CZ 4.04Å; Y226-F252 AromaticContact CZ-CG 4Å; Y226-F354 CarbonylContact O-C 3.58Å; Y226-F354 WeakPolarHBondContact O-CA 3.42Å; Y226-A355 PolarHBondContact N-O 3.45Å; Y226-A355 PolarHBondContact O-N 2.85Å; Y226-M357 HydrophobicContact CD2-CB 4.39Å; Y226-M357 HydrophobicContact CE2-CB 4.23Å; Y226-M357 HydrophobicContact CE2-SD 4.22Å
227F98.4Very high94.5Very high0 Ų041.3 Ų41.30%020%0.199CC..EExtended strand (participates in β ladder)trans-109.5132.2167.4-60-92.9000108W170 I213 L214 M216 M225 I264 F346 F352 F354W170-F227 HydrophobicContact CH2-CZ 4.45Å; I213-F227 VanDerWaalsContact CA-O 3.31Å; I213-F227 WeakPolarHBondContact CA-O 3.03Å; L214-F227 HydrophobicContact CB-CB 4.41Å; L214-F227 HydrophobicContact CD2-CD2 4.34Å; L214-F227 PolarHBondContact N-O 2.92Å; L214-F227 PolarHBondContact O-N 2.91Å; M216-F227 HydrophobicContact CB-CE2 4.44Å; M216-F227 HydrophobicContact CG-CD2 4.48Å; M216-F227 HydrophobicContact CG-CE2 4.12Å; M216-F227 HydrophobicContact SD-CD2 4.48Å; M216-F227 HydrophobicContact SD-CE2 3.82Å; M225-F227 HydrophobicContact CB-CE2 4.35Å; M225-F227 HydrophobicContact CE-CE1 3.68Å; M225-F227 HydrophobicContact CE-CE2 4.49Å; M225-F227 HydrophobicContact CE-CZ 3.66Å; M225-F227 HydrophobicContact CG-CD2 4.46Å; M225-F227 HydrophobicContact CG-CE2 3.84Å; M225-F227 HydrophobicContact CG-CZ 3.92Å; M225-F227 HydrophobicContact SD-CE1 4.31Å; M225-F227 HydrophobicContact SD-CE2 4.15Å; M225-F227 HydrophobicContact SD-CZ 3.66Å; F227-I264 HydrophobicContact CD1-CD1 4.37Å; F227-I264 HydrophobicContact CD1-CG2 4.44Å; F227-I264 HydrophobicContact CD2-CD1 3.88Å; F227-I264 HydrophobicContact CE1-CD1 4.16Å; F227-I264 HydrophobicContact CE1-CG2 3.78Å; F227-I264 HydrophobicContact CE2-CD1 3.66Å; F227-I264 HydrophobicContact CG-CD1 4.24Å; F227-I264 HydrophobicContact CZ-CD1 3.81Å; F227-I264 HydrophobicContact CZ-CG2 4.06Å; F227-F346 HydrophobicContact CB-CE1 3.76Å; F227-F346 HydrophobicContact CB-CZ 3.49Å; F227-F346 VanDerWaalsContact CB-CZ 3.49Å; F227-F346 HydrophobicContact CG-CE1 4.44Å; F227-F352 AromaticContact CD1-CD2 3.94Å; F227-F352 HydrophobicContact CD1-CD2 3.94Å; F227-F352 AromaticContact CD1-CE2 3.65Å; F227-F352 HydrophobicContact CD1-CE2 3.65Å; F227-F352 HydrophobicContact CD1-CZ 4.45Å; F227-F352 AromaticContact CE1-CE2 3.97Å; F227-F352 HydrophobicContact CE1-CE2 3.97Å; F227-F354 HydrophobicContact CD1-CB 4.08Å; F227-F354 HydrophobicContact CE1-CB 4.31Å
228V98.4Very high94.5Very high1 Ų144.4 Ų44.41%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-117.9104.7176177.80000107.2Y211 Q212 V239 L248 F252 F352 L353Y211-V228 HydrophobicContact CD2-CG1 3.51Å; Y211-V228 HydrophobicContact CE2-CG1 3.96Å; Y211-V228 HydrophobicContact CG-CG1 3.82Å; Q212-V228 WeakPolarHBondContact O-CA 3.21Å; V228-V239 HydrophobicContact CG1-CG1 4.39Å; V228-L248 HydrophobicContact CG2-CD1 4.27Å; V228-F252 HydrophobicContact CG2-CE1 3.96Å; V228-F352 WeakPolarHBondContact O-CB 3.43Å; V228-L353 HydrophobicContact CB-CB 4.16Å; V228-L353 HydrophobicContact CB-CD2 4.33Å; V228-L353 HydrophobicContact CG2-CD2 4.37Å; V228-L353 PolarHBondContact N-O 2.98Å; V228-L353 PolarHBondContact O-N 2.65Å
229L98.5Very high94.6Very high1 Ų144.5 Ų44.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-107.5113.5-172.9179.467.7000109.6Y211 Q212 F346 I347 A348 H350 F352Y211-L229 CarbonylContact C-O 3.57Å; Y211-L229 WeakPolarHBondContact CA-O 3.24Å; Y211-L229 WeakPolarHBondContact CB-O 3.32Å; Q212-L229 PolarHBondContact N-O 2.75Å; Q212-L229 PolarHBondContact O-N 3.15Å; L229-F346 HydrophobicContact CB-CE1 4.22Å; L229-F346 HydrophobicContact CB-CE2 3.66Å; L229-F346 HydrophobicContact CB-CZ 3.45Å; L229-F346 VanDerWaalsContact CB-CZ 3.45Å; L229-F346 HydrophobicContact CD2-CD1 4.39Å; L229-F346 HydrophobicContact CD2-CD2 4.4Å; L229-F346 HydrophobicContact CD2-CE1 4.22Å; L229-F346 HydrophobicContact CD2-CE2 4.25Å; L229-F346 HydrophobicContact CD2-CG 4.48Å; L229-F346 HydrophobicContact CD2-CZ 4.15Å; L229-F346 HydrophobicContact CG-CZ 4.43Å; L229-I347 VanDerWaalsContact CD2-O 3.26Å; L229-I347 WeakPolarHBondContact CD2-O 3.37Å; L229-A348 HydrophobicContact CD1-CB 4.24Å; L229-H350 VanDerWaalsContact CD1-CE1 3.44Å; L229-H350 WeakPolarHBondContact CD1-CE1 3.18Å; L229-H350 WeakPolarHBondContact CD1-NE2 3.41Å; L229-F352 HydrophobicContact CD1-CB 3.9Å
230P98.3Very high94.8Very high1 Ų142.4 Ų42.41%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-53.5144.3172.7-25.135.6000112.1E232 L236 V239 H350 P351P230-E232 VanDerWaalsContact C-N 3.27Å; P230-E232 WeakPolarHBondContact CB-O 2.86Å; P230-L236 HydrophobicContact CG-CB 3.88Å; P230-L236 HydrophobicContact CG-CD1 3.99Å; P230-V239 HydrophobicContact CB-CG2 4.17Å; P230-V239 HydrophobicContact CG-CG2 4.17Å; P230-H350 PolarHBondContact O-CE1 2.78Å; P230-H350 PolarHBondContact O-NE2 2.88Å; P230-P351 WeakPolarHBondContact CD-O 3.5Å
231K98.1Very high95.1Very high88 Ų8846.2 Ų46.238%0.38322%0.22SC..SBendtrans-71-28.5171.4-73.9-177.6169.2178.70111.4E207 T208 E210E207-K231 IonicContact OE1-NZ 3.87Å; E207-K231 PolarHBondContact OE1-NZ 2.63Å; T208-K231 WeakPolarHBondContact O-CE 3.42Å; T208-K231 PolarHBondContact O-NZ 3.01Å; E210-K231 PolarHBondContact O-N 2.84Å
232E97.2Very high95.7Very high146 Ų14647.6 Ų47.668%0.68222%0.222SC*.SBendtrans-93.5127.4174.4-68.1-62.8156.800111P230 F234 G235P230-E232 VanDerWaalsContact C-N 3.27Å; P230-E232 WeakPolarHBondContact CB-O 2.86Å; E232-F234 PolarHBondContact O-N 2.97Å; E232-G235 PolarHBondContact O-N 3.22Å
233K94.5Very high95.9Very high85 Ų8543 Ų4337%0.3720%0.202SC..THydrogen-bonded Turntrans-50.8-32.2-172.6-74-172.3177.7-173.30115.4F185 H350F185-K233 HydrophobicContact CD2-CD 4.04Å; F185-K233 HydrophobicContact CE2-CD 4.47Å; F185-K233 HydrophobicContact CG-CD 4.17Å; K233-H350 VanDerWaalsContact CA-CD2 3.47Å; K233-H350 WeakPolarHBondContact CA-CD2 3.06Å; K233-H350 HydrophobicContact CB-CB 4.23Å; K233-H350 HydrophobicContact CG-CB 4.43Å; K233-H350 WeakPolarHBondContact O-CB 3.18Å; K233-H350 PolarHBondContact O-CD2 3.41Å
234F94.4Very high96Very high90 Ų9046.6 Ų46.640%0.39522%0.221SC..THydrogen-bonded Turntrans-118.320.7-179-51.1-64.6000112.4F185 T187 P188 E232 L236F185-F234 HydrophobicContact CB-CE1 4.11Å; F185-F234 HydrophobicContact CB-CZ 4.12Å; T187-F234 VanDerWaalsContact C-CZ 3.41Å; T187-F234 WeakPolarHBondContact O-CZ 3.42Å; P188-F234 VanDerWaalsContact CA-CZ 3.5Å; P188-F234 HydrophobicContact CB-CD2 4.48Å; P188-F234 HydrophobicContact CB-CE2 4.07Å; P188-F234 HydrophobicContact CB-CZ 4.33Å; P188-F234 HydrophobicContact CG-CD1 4.33Å; P188-F234 HydrophobicContact CG-CD2 3.71Å; P188-F234 HydrophobicContact CG-CE1 4.39Å; P188-F234 HydrophobicContact CG-CE2 3.76Å; P188-F234 HydrophobicContact CG-CG 4Å; P188-F234 HydrophobicContact CG-CZ 4.11Å; E232-F234 PolarHBondContact O-N 2.97Å; F234-L236 PolarHBondContact O-N 3.03Å
235G95.3Very high96Very high9 Ų946.7 Ų46.79%0.09322%0.222CC..  trans-83.8-0.9-17500000115.1E232 K237 D238 V239E232-G235 PolarHBondContact O-N 3.22Å; G235-K237 VanDerWaalsContact C-N 3.27Å; G235-K237 PolarHBondContact O-N 3.49Å; G235-D238 PolarHBondContact O-N 3.36Å; G235-V239 WeakPolarHBondContact O-CG2 3.32Å; G235-V239 PolarHBondContact O-N 2.84Å
236L95.8Very high95.9Very high3 Ų353.7 Ų53.72%0.01625%0.253CS..Hα-helixtrans-56.8-41.1-174.5-176.559.8000112.3P230 F234 D238 V239 M240 P351 L353 D369 Y371P230-L236 HydrophobicContact CG-CB 3.88Å; P230-L236 HydrophobicContact CG-CD1 3.99Å; F234-L236 PolarHBondContact O-N 3.03Å; L236-D238 VanDerWaalsContact C-N 3.33Å; L236-D238 PolarHBondContact O-N 3.24Å; L236-V239 PolarHBondContact O-N 2.96Å; L236-M240 HydrophobicContact CD1-CG 4.17Å; L236-M240 HydrophobicContact CG-CG 4.3Å; L236-M240 WeakPolarHBondContact O-CB 3.44Å; L236-M240 VanDerWaalsContact O-CG 3.31Å; L236-M240 WeakPolarHBondContact O-CG 3.47Å; L236-M240 PolarHBondContact O-N 2.9Å; L236-P351 HydrophobicContact CB-CB 4.22Å; L236-P351 HydrophobicContact CD2-CB 3.82Å; L236-L353 HydrophobicContact CD1-CB 4.06Å; L236-D369 HydrophobicContact CD2-CB 3.91Å; L236-Y371 HydrophobicContact CD2-CE2 4.01Å
237K93.5Very high95.8Very high131 Ų13155.6 Ų55.657%0.5726%0.261SS*.Hα-helixtrans-60.1-43.2177.3-174.4179.2179.2-178.20112G235 M240 N241G235-K237 VanDerWaalsContact C-N 3.27Å; G235-K237 PolarHBondContact O-N 3.49Å; K237-M240 PolarHBondContact O-N 3.11Å; K237-N241 PolarHBondContact O-N 3.33Å; K237-N241 PolarHBondContact O-ND2 2.64Å
238D94.8Very high95.7Very high92 Ų9255.6 Ų55.649%0.49226%0.261SS..Hα-helixtrans-69.6-39.3-179.9-66.4-31.7000111.6G235 L236 N241 K242G235-D238 PolarHBondContact O-N 3.36Å; L236-D238 VanDerWaalsContact C-N 3.33Å; L236-D238 PolarHBondContact O-N 3.24Å; D238-N241 PolarHBondContact O-N 3.39Å; D238-K242 WeakPolarHBondContact O-CG 3.31Å; D238-K242 PolarHBondContact O-N 3.42Å
239V96Very high95.6Very high5 Ų555.9 Ų55.93%0.0326%0.263CS..Hα-helixtrans-59.1-49.8171.3172.30000110.1E210 Y211 V228 P230 G235 L236 N241 K242 L243E210-V239 HydrophobicContact CB-CG2 4.48Å; Y211-V239 HydrophobicContact CD1-CG1 3.66Å; Y211-V239 HydrophobicContact CD1-CG2 4.05Å; Y211-V239 HydrophobicContact CE1-CG1 4.07Å; Y211-V239 HydrophobicContact CG-CG1 4.3Å; V228-V239 HydrophobicContact CG1-CG1 4.39Å; P230-V239 HydrophobicContact CB-CG2 4.17Å; P230-V239 HydrophobicContact CG-CG2 4.17Å; G235-V239 WeakPolarHBondContact O-CG2 3.32Å; G235-V239 PolarHBondContact O-N 2.84Å; L236-V239 PolarHBondContact O-N 2.96Å; V239-N241 VanDerWaalsContact C-N 3.32Å; V239-N241 PolarHBondContact O-N 2.83Å; V239-K242 PolarHBondContact O-N 3.38Å; V239-K242 VanDerWaalsContact O-N 3.11Å; V239-L243 HydrophobicContact CG1-CD1 3.65Å; V239-L243 HydrophobicContact CG1-CG 4.02Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 2.7Å
240M94.7Very high95.5Very high9 Ų961.9 Ų61.94%0.04429%0.291CS..Hα-helixtrans-63.5-32.8179.9-72-48.6-70.900113.9L12 Y15 R16 L236 K237 K242 L243 L353L12-M240 HydrophobicContact CD2-CE 3.96Å; Y15-M240 HydrophobicContact CD1-CE 3.46Å; Y15-M240 VanDerWaalsContact CD1-CE 3.46Å; Y15-M240 HydrophobicContact CE1-CE 3.17Å; Y15-M240 HydrophobicContact CE1-CG 4.21Å; Y15-M240 HydrophobicContact CE1-SD 4.38Å; Y15-M240 HydrophobicContact CG-CE 4.32Å; R16-M240 PolarHBondContact NH2-O 3.34Å; L236-M240 HydrophobicContact CD1-CG 4.17Å; L236-M240 HydrophobicContact CG-CG 4.3Å; L236-M240 WeakPolarHBondContact O-CB 3.44Å; L236-M240 VanDerWaalsContact O-CG 3.31Å; L236-M240 WeakPolarHBondContact O-CG 3.47Å; L236-M240 PolarHBondContact O-N 2.9Å; K237-M240 PolarHBondContact O-N 3.11Å; M240-K242 VanDerWaalsContact C-N 3.32Å; M240-L243 HydrophobicContact SD-CD1 3.73Å; M240-L353 HydrophobicContact CE-CD1 3.87Å; M240-L353 HydrophobicContact CE-CD2 4.41Å; M240-L353 HydrophobicContact SD-CB 4.35Å; M240-L353 HydrophobicContact SD-CD1 3.82Å; M240-L353 HydrophobicContact SD-CD2 3.89Å; M240-L353 HydrophobicContact SD-CG 4.25Å
241N93.6Very high95.4Very high105 Ų10562 Ų6256%0.56129%0.291SS*.Hα-helixtrans-67.9-31.8175.1-73-24.7000112.6K237 D238 V239K237-N241 PolarHBondContact O-N 3.33Å; K237-N241 PolarHBondContact O-ND2 2.64Å; D238-N241 PolarHBondContact O-N 3.39Å; V239-N241 VanDerWaalsContact C-N 3.32Å; V239-N241 PolarHBondContact O-N 2.83Å
242K94.8Very high95.3Very high116 Ų11657.9 Ų57.950%0.50427%0.274SS..Hα-helixtrans-93.1-20.9-178.5-63.9174.1-168.3179.20113.5E210 D238 V239 M240E210-K242 WeakPolarHBondContact OE1-CD 3.18Å; E210-K242 WeakPolarHBondContact OE1-CE 3.38Å; E210-K242 IonicContact OE1-NZ 2.71Å; E210-K242 PolarHBondContact OE1-NZ 3.36Å; D238-K242 WeakPolarHBondContact O-CG 3.31Å; D238-K242 PolarHBondContact O-N 3.42Å; V239-K242 PolarHBondContact O-N 3.38Å; V239-K242 VanDerWaalsContact O-N 3.11Å; M240-K242 VanDerWaalsContact C-N 3.32Å
243L95Very high95.2Very high3 Ų355.1 Ų55.12%0.01626%0.263CS..  trans-65.9143.1178.7-81.4173.2000111.4R16 Y211 V239 M240 K247 L248 L353R16-L243 PolarHBondContact NH2-O 3.38Å; Y211-L243 HydrophobicContact CE1-CD2 4.27Å; V239-L243 HydrophobicContact CG1-CD1 3.65Å; V239-L243 HydrophobicContact CG1-CG 4.02Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 2.7Å; M240-L243 HydrophobicContact SD-CD1 3.73Å; L243-K247 HydrophobicContact CD2-CB 4.43Å; L243-K247 HydrophobicContact CD2-CD 4.2Å; L243-K247 HydrophobicContact CD2-CG 4.1Å; L243-L248 HydrophobicContact CD2-CB 4.42Å; L243-L248 HydrophobicContact CD2-CD1 4.38Å; L243-L353 HydrophobicContact CD1-CD2 4.25Å
244N95.3Very high95.2Very high75 Ų7553.5 Ų53.540%0.40126%0.263SS..  trans-142.5171.6167.562.955.2000107.9K246 K247 L248N244-K246 VanDerWaalsContact C-N 3.28Å; N244-K246 PolarHBondContact O-N 2.96Å; N244-K246 WeakPolarHBondContact OD1-CB 3.46Å; N244-K246 PolarHBondContact OD1-N 3.09Å; N244-K246 VanDerWaalsContact OD1-N 3.11Å; N244-K247 PolarHBondContact O-N 2.81Å; N244-K247 VanDerWaalsContact O-N 3.14Å; N244-K247 PolarHBondContact OD1-N 2.7Å; N244-L248 WeakPolarHBondContact O-CB 3.49Å; N244-L248 PolarHBondContact O-N 2.94Å
245A94.6Very high95.3Very high3 Ų349.6 Ų49.63%0.02525%0.247CC..Hα-helixtrans-54-45.1-175.400000112.9I5 T8 D9 L248 L249I5-A245 HydrophobicContact CG2-CB 3.93Å; I5-A245 WeakPolarHBondContact O-CB 3.37Å; T8-A245 HydrophobicContact CG2-CB 3.98Å; D9-A245 HydrophobicContact CB-CB 3.85Å; A245-L248 PolarHBondContact O-N 3Å; A245-L249 WeakPolarHBondContact O-CB 3.31Å; A245-L249 VanDerWaalsContact O-CG 3.24Å; A245-L249 WeakPolarHBondContact O-CG 3.44Å; A245-L249 PolarHBondContact O-N 3.48Å
246K95.1Very high95.3Very high147 Ų14753 Ų5364%0.63927%0.266SS*.Hα-helixtrans-64.6-45.9179.2-64.8-177.9-179.5179.50111.9I5 N244 H250I5-K246 HydrophobicContact CD1-CG 4.46Å; I5-K246 HydrophobicContact CG2-CG 4.42Å; N244-K246 VanDerWaalsContact C-N 3.28Å; N244-K246 PolarHBondContact O-N 2.96Å; N244-K246 WeakPolarHBondContact OD1-CB 3.46Å; N244-K246 PolarHBondContact OD1-N 3.09Å; N244-K246 VanDerWaalsContact OD1-N 3.11Å; K246-H250 WeakPolarHBondContact O-CB 3.29Å; K246-H250 PolarHBondContact O-N 2.87Å
247K95.8Very high95.4Very high58 Ų5856.3 Ų56.325%0.25229%0.287SS..Hα-helixtrans-62.9-44.1179.3-171.8174.2177.2-177.90110.8E210 Y211 L243 N244 H250 S251E210-K247 IonicContact OE2-NZ 3.21Å; E210-K247 PolarHBondContact OE2-NZ 3.45Å; Y211-K247 WeakPolarHBondContact OH-CE 3.04Å; L243-K247 HydrophobicContact CD2-CB 4.43Å; L243-K247 HydrophobicContact CD2-CD 4.2Å; L243-K247 HydrophobicContact CD2-CG 4.1Å; N244-K247 PolarHBondContact O-N 2.81Å; N244-K247 VanDerWaalsContact O-N 3.14Å; N244-K247 PolarHBondContact OD1-N 2.7Å; K247-H250 PolarHBondContact O-N 3.01Å; K247-S251 WeakPolarHBondContact O-CB 3.44Å; K247-S251 PolarHBondContact O-N 3.27Å; K247-S251 PolarHBondContact O-OG 2.84Å
248L96.6Very high95.5Very high0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-64.9-50.2179.7-17464.2000112T8 L12 V228 L243 N244 A245 H250 S251 F252 L353T8-L248 HydrophobicContact CG2-CD2 3.91Å; L12-L248 HydrophobicContact CD1-CD2 4.5Å; L12-L248 HydrophobicContact CD2-CD2 4.23Å; V228-L248 HydrophobicContact CG2-CD1 4.27Å; L243-L248 HydrophobicContact CD2-CB 4.42Å; L243-L248 HydrophobicContact CD2-CD1 4.38Å; N244-L248 WeakPolarHBondContact O-CB 3.49Å; N244-L248 PolarHBondContact O-N 2.94Å; A245-L248 PolarHBondContact O-N 3Å; L248-H250 VanDerWaalsContact C-N 3.33Å; L248-H250 PolarHBondContact O-N 3.4Å; L248-S251 WeakPolarHBondContact O-CB 3.36Å; L248-S251 PolarHBondContact O-N 3.47Å; L248-F252 HydrophobicContact CD1-CE1 3.67Å; L248-F252 HydrophobicContact CD1-CE2 4.17Å; L248-F252 HydrophobicContact CD1-CZ 3.46Å; L248-F252 VanDerWaalsContact CD1-CZ 3.46Å; L248-F252 HydrophobicContact CD2-CE2 4.24Å; L248-F252 HydrophobicContact CD2-CZ 4.12Å; L248-F252 HydrophobicContact CG-CE1 4.2Å; L248-F252 HydrophobicContact CG-CE2 3.81Å; L248-F252 HydrophobicContact CG-CZ 3.64Å; L248-F252 WeakPolarHBondContact O-CG 3.47Å; L248-F252 PolarHBondContact O-N 2.82Å; L248-L353 HydrophobicContact CD1-CD2 4.34Å
249L95.8Very high95.6Very high7 Ų751 Ų514%0.03726%0.264CS..Hα-helixtrans-61.7-41.9177.7-68.5177.8000111.7D4 I5 T8 A245 S251 F252 D253 M357D4-L249 HydrophobicContact CB-CD1 4.24Å; I5-L249 HydrophobicContact CG1-CD1 4.09Å; T8-L249 HydrophobicContact CG2-CD2 4.34Å; T8-L249 HydrophobicContact CG2-CG 4.21Å; A245-L249 WeakPolarHBondContact O-CB 3.31Å; A245-L249 VanDerWaalsContact O-CG 3.24Å; A245-L249 WeakPolarHBondContact O-CG 3.44Å; A245-L249 PolarHBondContact O-N 3.48Å; L249-S251 VanDerWaalsContact C-N 3.34Å; L249-S251 PolarHBondContact O-N 3.01Å; L249-F252 PolarHBondContact O-N 2.99Å; L249-D253 VanDerWaalsContact O-CG 3.27Å; L249-D253 PolarHBondContact O-N 2.73Å; L249-M357 HydrophobicContact CD2-CE 3.41Å; L249-M357 VanDerWaalsContact CD2-CE 3.41Å
250H95.8Very high95.7Very high127 Ų12750.8 Ų50.859%0.58826%0.263SS*.Hα-helixtrans-61.7-42175.3-179.863.1000111.9K246 K247 L248 F252 D253 S254K246-H250 WeakPolarHBondContact O-CB 3.29Å; K246-H250 PolarHBondContact O-N 2.87Å; K247-H250 PolarHBondContact O-N 3.01Å; L248-H250 VanDerWaalsContact C-N 3.33Å; L248-H250 PolarHBondContact O-N 3.4Å; H250-F252 VanDerWaalsContact C-N 3.3Å; H250-F252 PolarHBondContact O-N 2.93Å; H250-D253 PolarHBondContact O-N 3.43Å; H250-S254 VanDerWaalsContact O-CB 3.28Å; H250-S254 WeakPolarHBondContact O-CB 3.2Å; H250-S254 PolarHBondContact O-N 3.11Å; H250-S254 PolarHBondContact O-OG 2.79Å
251S96Very high95.8Very high3 Ų352.4 Ų52.42%0.02127%0.27CS..Hα-helixtrans-60.6-39.6175.3-68.40000112.4Y211 K247 L248 L249 S254 A255Y211-S251 PolarHBondContact OH-OG 3.15Å; K247-S251 WeakPolarHBondContact O-CB 3.44Å; K247-S251 PolarHBondContact O-N 3.27Å; K247-S251 PolarHBondContact O-OG 2.84Å; L248-S251 WeakPolarHBondContact O-CB 3.36Å; L248-S251 PolarHBondContact O-N 3.47Å; L249-S251 VanDerWaalsContact C-N 3.34Å; L249-S251 PolarHBondContact O-N 3.01Å; S251-S254 WeakPolarHBondContact CA-OG 3.15Å; S251-S254 PolarHBondContact O-N 2.79Å; S251-S254 PolarHBondContact O-OG 2.93Å; S251-A255 PolarHBondContact O-N 3Å
252F96.3Very high96.1Very high2 Ų247.4 Ų47.41%0.00924%0.244CC..Hα-helixtrans-66.6-43.7174.1-62.7-16000112.4I213 Y226 V228 L248 L249 H250 S254 A255 A355 M357I213-F252 HydrophobicContact CG2-CD1 4.26Å; Y226-F252 HydrophobicContact CD1-CB 4.36Å; Y226-F252 AromaticContact CD1-CD1 3.68Å; Y226-F252 HydrophobicContact CD1-CD1 3.68Å; Y226-F252 HydrophobicContact CD1-CE1 4.21Å; Y226-F252 HydrophobicContact CD1-CG 4.1Å; Y226-F252 HydrophobicContact CD2-CB 4.21Å; Y226-F252 AromaticContact CD2-CD1 3.73Å; Y226-F252 HydrophobicContact CD2-CD1 3.73Å; Y226-F252 AromaticContact CD2-CD2 3.67Å; Y226-F252 HydrophobicContact CD2-CD2 3.67Å; Y226-F252 AromaticContact CD2-CE1 3.93Å; Y226-F252 HydrophobicContact CD2-CE1 3.93Å; Y226-F252 AromaticContact CD2-CE2 3.86Å; Y226-F252 HydrophobicContact CD2-CE2 3.86Å; Y226-F252 AromaticContact CD2-CG 3.6Å; Y226-F252 HydrophobicContact CD2-CG 3.6Å; Y226-F252 AromaticContact CD2-CZ 3.99Å; Y226-F252 HydrophobicContact CD2-CZ 3.99Å; Y226-F252 HydrophobicContact CE1-CB 3.98Å; Y226-F252 HydrophobicContact CE1-CD1 4.18Å; Y226-F252 HydrophobicContact CE1-CG 4.2Å; Y226-F252 HydrophobicContact CE2-CB 3.78Å; Y226-F252 HydrophobicContact CE2-CD1 4.2Å; Y226-F252 AromaticContact CE2-CD2 3.83Å; Y226-F252 HydrophobicContact CE2-CD2 3.83Å; Y226-F252 HydrophobicContact CE2-CE2 4.44Å; Y226-F252 AromaticContact CE2-CG 3.68Å; Y226-F252 HydrophobicContact CE2-CG 3.68Å; Y226-F252 HydrophobicContact CG-CB 4.47Å; Y226-F252 AromaticContact CG-CD1 3.43Å; Y226-F252 HydrophobicContact CG-CD1 3.43Å; Y226-F252 VanDerWaalsContact CG-CD1 3.43Å; Y226-F252 HydrophobicContact CG-CD2 4.25Å; Y226-F252 AromaticContact CG-CE1 3.58Å; Y226-F252 HydrophobicContact CG-CE1 3.58Å; Y226-F252 HydrophobicContact CG-CE2 4.36Å; Y226-F252 AromaticContact CG-CG 3.81Å; Y226-F252 HydrophobicContact CG-CG 3.81Å; Y226-F252 HydrophobicContact CG-CZ 4.04Å; Y226-F252 AromaticContact CZ-CG 4Å; V228-F252 HydrophobicContact CG2-CE1 3.96Å; L248-F252 HydrophobicContact CD1-CE1 3.67Å; L248-F252 HydrophobicContact CD1-CE2 4.17Å; L248-F252 HydrophobicContact CD1-CZ 3.46Å; L248-F252 VanDerWaalsContact CD1-CZ 3.46Å; L248-F252 HydrophobicContact CD2-CE2 4.24Å; L248-F252 HydrophobicContact CD2-CZ 4.12Å; L248-F252 HydrophobicContact CG-CE1 4.2Å; L248-F252 HydrophobicContact CG-CE2 3.81Å; L248-F252 HydrophobicContact CG-CZ 3.64Å; L248-F252 WeakPolarHBondContact O-CG 3.47Å; L248-F252 PolarHBondContact O-N 2.82Å; L249-F252 PolarHBondContact O-N 2.99Å; H250-F252 VanDerWaalsContact C-N 3.3Å; H250-F252 PolarHBondContact O-N 2.93Å; F252-S254 PolarHBondContact O-N 3.31Å; F252-A255 PolarHBondContact O-N 2.9Å; F252-A355 HydrophobicContact CE2-CB 4.42Å; F252-A355 HydrophobicContact CZ-CB 4Å; F252-M357 HydrophobicContact CD2-CE 3.58Å; F252-M357 HydrophobicContact CD2-SD 4.28Å; F252-M357 HydrophobicContact CE2-CE 3.93Å
253D94.9Very high96.2Very high88 Ų8845.4 Ų45.447%0.47123%0.233SC..Hα-helixtrans-68.2-24.6178.3-66.5-27.8000112.8L249 H250 R362L249-D253 VanDerWaalsContact O-CG 3.27Å; L249-D253 PolarHBondContact O-N 2.73Å; H250-D253 PolarHBondContact O-N 3.43Å; D253-R362 IonicContact OD1-CZ 2.99Å; D253-R362 VanDerWaalsContact OD1-CZ 3.29Å; D253-R362 IonicContact OD1-NH1 3.19Å; D253-R362 PolarHBondContact OD1-NH1 2.75Å; D253-R362 IonicContact OD1-NH2 2.89Å; D253-R362 PolarHBondContact OD1-NH2 2.98Å; D253-R362 IonicContact OD2-CZ 2.71Å; D253-R362 IonicContact OD2-NH1 2.75Å; D253-R362 IonicContact OD2-NH2 2.93Å; D253-R362 PolarHBondContact OD2-NH2 2.87Å
254S95Very high96.4Very high50 Ų5045.3 Ų45.335%0.3523%0.233SC..THydrogen-bonded Turntrans-82.1-12.7179.870.60000114H250 S251 F252H250-S254 VanDerWaalsContact O-CB 3.28Å; H250-S254 WeakPolarHBondContact O-CB 3.2Å; H250-S254 PolarHBondContact O-N 3.11Å; H250-S254 PolarHBondContact O-OG 2.79Å; S251-S254 WeakPolarHBondContact CA-OG 3.15Å; S251-S254 PolarHBondContact O-N 2.79Å; S251-S254 PolarHBondContact O-OG 2.93Å; F252-S254 PolarHBondContact O-N 3.31Å
255A96.6Very high96.4Very high8 Ų841.8 Ų41.87%0.06621%0.213CC..  trans-71.7131.9177.500000109.8Q204 Y205 I213 S251 F252Q204-A255 HydrophobicContact CB-CB 3.94Å; Q204-A255 PolarHBondContact OE1-O 2.77Å; Q204-A255 VanDerWaalsContact OE1-O 3.13Å; Y205-A255 CarbonylContact O-C 3.56Å; Y205-A255 WeakPolarHBondContact O-CA 3.18Å; I213-A255 HydrophobicContact CG2-CB 4.42Å; S251-A255 PolarHBondContact O-N 3Å; F252-A255 PolarHBondContact O-N 2.9Å
256V96.5Very high96.4Very high80 Ų8045.4 Ų45.449%0.48523%0.229SC..EExtended strand (participates in β ladder)trans-124.6153.2-177.1-63.40000111Y205 T258Y205-V256 PolarHBondContact N-O 3.27Å; Y205-V256 PolarHBondContact O-N 2.81Å; V256-T258 PolarHBondContact O-N 3.19Å; V256-T258 VanDerWaalsContact O-N 3.12Å; V256-T258 PolarHBondContact O-OG1 2.82Å; V256-T258 VanDerWaalsContact O-OG1 3.05Å
257P97Very high96.3Very high73 Ų7338.9 Ų38.947%0.47420%0.2SC..EExtended strand (participates in β ladder)trans-52.1120.3173.5-21.329.3000111.3E202 L203E202-P257 HydrophobicContact CG-CB 3.95Å; L203-P257 CarbonylContact O-C 3.51Å; L203-P257 WeakPolarHBondContact O-CA 3.47Å
258T96.3Very high96.1Very high37 Ų3739.7 Ų39.723%0.22720%0.204CC..EExtended strand (participates in β ladder)trans-146.8140.8-178.4-52.70000108.6E202 L203 Y205 V256 V260 P344E202-T258 VanDerWaalsContact CA-O 3.31Å; E202-T258 WeakPolarHBondContact CA-O 3.29Å; L203-T258 PolarHBondContact N-O 3.02Å; L203-T258 PolarHBondContact O-N 3.47Å; Y205-T258 HydrophobicContact CD1-CG2 4.38Å; V256-T258 PolarHBondContact O-N 3.19Å; V256-T258 VanDerWaalsContact O-N 3.12Å; V256-T258 PolarHBondContact O-OG1 2.82Å; V256-T258 VanDerWaalsContact O-OG1 3.05Å; T258-V260 HydrophobicContact CG2-CG2 4.3Å; T258-V260 WeakPolarHBondContact O-CG2 3.33Å; T258-V260 PolarHBondContact O-N 3.36Å; T258-P344 HydrophobicContact CG2-CG 3.85Å
259Q96.8Very high95.7Very high75 Ų7540 Ų4035%0.3521%0.206SC..EExtended strand (participates in β ladder)trans-68.7120.1168.6-71.8-66.3-7.100109.9P343 P344Q259-P343 WeakPolarHBondContact O-CB 3.43Å; Q259-P344 VanDerWaalsContact O-CD 3.3Å; Q259-P344 WeakPolarHBondContact O-CD 3.17Å
260V97.4Very high95.4Very high0 Ų043 Ų430%022%0.219CC..EExtended strand (participates in β ladder)trans-131.1136.4-175.3-169.50000110.8E200 Q201 Y205 T258 V262 P344 F346E200-V260 WeakPolarHBondContact CA-O 3.21Å; Q201-V260 PolarHBondContact N-O 3.38Å; Q201-V260 PolarHBondContact O-N 2.73Å; Y205-V260 HydrophobicContact CD2-CG1 4.22Å; Y205-V260 HydrophobicContact CD2-CG2 3.96Å; Y205-V260 HydrophobicContact CG-CG2 3.9Å; T258-V260 HydrophobicContact CG2-CG2 4.3Å; T258-V260 WeakPolarHBondContact O-CG2 3.33Å; T258-V260 PolarHBondContact O-N 3.36Å; V260-V262 HydrophobicContact CB-CG2 3.99Å; V260-V262 HydrophobicContact CG1-CG2 3.87Å; V260-V262 PolarHBondContact O-N 3.2Å; V260-P344 WeakPolarHBondContact CA-O 3.36Å; V260-P344 HydrophobicContact CG1-CG 4.48Å; V260-P344 VanDerWaalsContact CG1-O 3.25Å; V260-P344 WeakPolarHBondContact CG1-O 3.33Å; V260-P344 HydrophobicContact CG2-CG 4.13Å; V260-F346 HydrophobicContact CG1-CB 3.79Å
261E97.7Very high95.1Very high43 Ų4339.1 Ų39.120%0.20120%0.2CC..EExtended strand (participates in β ladder)trans-77.3109.2161.8-174-162.9171.100108.4R263 P344 R345 F346E261-R263 IonicContact OE1-CZ 3.56Å; E261-R263 IonicContact OE1-NE 2.94Å; E261-R263 PolarHBondContact OE1-NE 2.98Å; E261-R263 IonicContact OE1-NH2 3.24Å; E261-R263 PolarHBondContact OE1-NH2 3.38Å; E261-P344 PolarHBondContact N-O 2.82Å; E261-R345 HydrophobicContact CB-CG 4.31Å; E261-R345 IonicContact OE1-NH2 3.84Å; E261-R345 WeakPolarHBondContact OE2-CD 3.49Å; E261-R345 WeakPolarHBondContact OE2-CG 3.35Å; E261-R345 IonicContact OE2-CZ 2.68Å; E261-R345 IonicContact OE2-NE 3.61Å; E261-R345 PolarHBondContact OE2-NE 2.76Å; E261-R345 IonicContact OE2-NH2 2.69Å; E261-F346 PolarHBondContact O-N 2.71Å
262V98.3Very high94.9Very high0 Ų042.7 Ų42.70%022%0.216CC..EExtended strand (participates in β ladder)trans-105.1131.7-176.3177.70000110.5F174 Q198 M199 L203 L214 V260 I264 F346F174-V262 HydrophobicContact CE1-CG1 4.29Å; F174-V262 HydrophobicContact CZ-CG1 4.33Å; Q198-V262 VanDerWaalsContact CA-O 3.22Å; Q198-V262 WeakPolarHBondContact CA-O 3.29Å; M199-V262 HydrophobicContact CG-CB 4.13Å; M199-V262 PolarHBondContact N-O 3.49Å; M199-V262 PolarHBondContact O-N 3.32Å; L203-V262 HydrophobicContact CD1-CG2 3.78Å; L214-V262 HydrophobicContact CD1-CG2 3.93Å; L214-V262 HydrophobicContact CD2-CB 4.38Å; L214-V262 HydrophobicContact CD2-CG1 3.6Å; L214-V262 HydrophobicContact CD2-CG2 3.8Å; V260-V262 HydrophobicContact CB-CG2 3.99Å; V260-V262 HydrophobicContact CG1-CG2 3.87Å; V260-V262 PolarHBondContact O-N 3.2Å; V262-I264 HydrophobicContact CG1-CD1 3.59Å; V262-I264 HydrophobicContact CG1-CG1 3.73Å; V262-F346 WeakPolarHBondContact CA-O 3.35Å
263R98.3Very high94.6Very high75 Ų7543.2 Ų43.228%0.28322%0.219SC..EExtended strand (participates in β ladder)trans-132.5118.5167.7-57.9-173.6-172-166.4-2.8110.5M196 M197 Q198 E261 F346 I347 A348M196-R263 HydrophobicContact CG-CB 3.85Å; M196-R263 VanDerWaalsContact SD-C 3.57Å; M196-R263 HydrophobicContact SD-CB 3.86Å; M197-R263 CarbonylContact O-C 3.5Å; M197-R263 VanDerWaalsContact O-CA 3.24Å; M197-R263 WeakPolarHBondContact O-CA 3.33Å; Q198-R263 HydrophobicContact CB-CG 4Å; E261-R263 IonicContact OE1-CZ 3.56Å; E261-R263 IonicContact OE1-NE 2.94Å; E261-R263 PolarHBondContact OE1-NE 2.98Å; E261-R263 IonicContact OE1-NH2 3.24Å; E261-R263 PolarHBondContact OE1-NH2 3.38Å; R263-F346 PolarHBondContact N-O 2.93Å; R263-I347 HydrophobicContact CB-CB 4.5Å; R263-I347 HydrophobicContact CB-CG1 4.36Å; R263-I347 HydrophobicContact CB-CG2 4.21Å; R263-I347 HydrophobicContact CG-CG1 4.31Å; R263-A348 PolarHBondContact O-N 3.06Å
264I97.8Very high94.4Very high1 Ų143.2 Ų43.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-133.6134.4-176.5-62.2171.5000109.8F174 M196 M197 L214 M216 F227 V262 A348F174-I264 HydrophobicContact CZ-CD1 4.39Å; M196-I264 PolarHBondContact SD-N 2.87Å; M196-I264 VanDerWaalsContact SD-N 3.44Å; M197-I264 WeakPolarHBondContact CB-O 3.36Å; M197-I264 HydrophobicContact CE-CB 4.38Å; M197-I264 HydrophobicContact CE-CG2 4.3Å; M197-I264 PolarHBondContact N-O 2.95Å; M197-I264 PolarHBondContact O-N 3.32Å; L214-I264 HydrophobicContact CD2-CD1 3.78Å; M216-I264 HydrophobicContact SD-CD1 3.6Å; M216-I264 VanDerWaalsContact SD-CD1 3.6Å; F227-I264 HydrophobicContact CD1-CD1 4.37Å; F227-I264 HydrophobicContact CD1-CG2 4.44Å; F227-I264 HydrophobicContact CD2-CD1 3.88Å; F227-I264 HydrophobicContact CE1-CD1 4.16Å; F227-I264 HydrophobicContact CE1-CG2 3.78Å; F227-I264 HydrophobicContact CE2-CD1 3.66Å; F227-I264 HydrophobicContact CG-CD1 4.24Å; F227-I264 HydrophobicContact CZ-CD1 3.81Å; F227-I264 HydrophobicContact CZ-CG2 4.06Å; V262-I264 HydrophobicContact CG1-CD1 3.59Å; V262-I264 HydrophobicContact CG1-CG1 3.73Å; I264-A348 HydrophobicContact CG1-CB 4.43Å
265P97Very high94.4Very high0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-60.8142174.3-23.634.1000112F184 V194 D195 M196 F267 A348 F352 Y370F184-P265 HydrophobicContact CD2-CG 3.84Å; F184-P265 HydrophobicContact CE2-CG 3.96Å; V194-P265 HydrophobicContact CB-CB 4.45Å; V194-P265 HydrophobicContact CG2-CB 4.05Å; V194-P265 HydrophobicContact CG2-CG 4.18Å; D195-P265 CarbonylContact O-C 3.48Å; D195-P265 WeakPolarHBondContact O-CA 3.47Å; M196-P265 HydrophobicContact CE-CG 4.01Å; M196-P265 HydrophobicContact SD-CG 4.13Å; P265-F267 HydrophobicContact CB-CD1 4.33Å; P265-F267 WeakPolarHBondContact O-CD1 3.38Å; P265-A348 VanDerWaalsContact CD-O 3.28Å; P265-A348 WeakPolarHBondContact CD-O 3.48Å; P265-A348 WeakPolarHBondContact CG-O 3.49Å; P265-F352 HydrophobicContact CG-CE1 4.12Å; P265-Y370 HydrophobicContact CB-CD1 4.36Å; P265-Y370 HydrophobicContact CB-CE1 3.65Å; P265-Y370 HydrophobicContact CG-CD1 4.21Å; P265-Y370 HydrophobicContact CG-CE1 3.76Å
266K94.5Very high94.4Very high79 Ų7942.5 Ų42.534%0.34321%0.205SC..  trans-77.5127.5161.5177174.1-174.3159.40108.7D195 M197 I317 N318 E319D195-K266 HydrophobicContact CB-CB 4.12Å; D195-K266 PolarHBondContact O-N 3.24Å; M197-K266 HydrophobicContact CG-CB 4.14Å; M197-K266 HydrophobicContact SD-CB 4.19Å; K266-I317 WeakPolarHBondContact CA-O 3.49Å; K266-I317 WeakPolarHBondContact CG-O 3.18Å; K266-N318 HydrophobicContact CD-CB 4.27Å; K266-N318 HydrophobicContact CG-CB 4.21Å; K266-E319 IonicContact NZ-OE1 2.85Å; K266-E319 IonicContact NZ-OE2 3.22Å; K266-E319 PolarHBondContact NZ-OE2 2.8Å
267F93Very high94.3Very high10 Ų1044.5 Ų44.54%0.04421%0.207CC..EExtended strand (participates in β ladder)trans-154161.3-179.363-93.9000112.9M225 P265 L269 I317 F352 F354 Y370M225-F267 HydrophobicContact CE-CZ 4.48Å; P265-F267 HydrophobicContact CB-CD1 4.33Å; P265-F267 WeakPolarHBondContact O-CD1 3.38Å; F267-L269 HydrophobicContact CD2-CD1 4Å; F267-L269 HydrophobicContact CD2-CG 3.95Å; F267-L269 HydrophobicContact CE2-CD1 3.92Å; F267-L269 HydrophobicContact CE2-CG 4.34Å; F267-I317 HydrophobicContact CD1-CB 4.22Å; F267-I317 HydrophobicContact CD1-CG2 4.46Å; F267-I317 HydrophobicContact CD2-CB 4.4Å; F267-I317 HydrophobicContact CD2-CG1 4.31Å; F267-I317 HydrophobicContact CE1-CB 3.98Å; F267-I317 HydrophobicContact CE1-CG1 4.04Å; F267-I317 HydrophobicContact CE1-CG2 4.08Å; F267-I317 HydrophobicContact CE2-CB 4.22Å; F267-I317 HydrophobicContact CE2-CG1 3.7Å; F267-I317 HydrophobicContact CG-CB 4.42Å; F267-I317 HydrophobicContact CZ-CB 4.01Å; F267-I317 HydrophobicContact CZ-CG1 3.55Å; F267-I317 HydrophobicContact CZ-CG2 4.44Å; F267-I317 PolarHBondContact N-O 2.88Å; F267-I317 PolarHBondContact O-N 3.37Å; F267-F352 HydrophobicContact CE1-CE2 4.22Å; F267-F352 AromaticContact CE1-CZ 3.82Å; F267-F352 HydrophobicContact CE1-CZ 3.82Å; F267-F352 HydrophobicContact CZ-CE2 4.39Å; F267-F352 HydrophobicContact CZ-CZ 4.41Å; F267-F354 HydrophobicContact CE2-CE1 4.01Å; F267-F354 HydrophobicContact CE2-CZ 4.11Å; F267-F354 HydrophobicContact CZ-CD1 4.14Å; F267-F354 HydrophobicContact CZ-CE1 4.06Å; F267-F354 HydrophobicContact CZ-CZ 4.46Å; F267-Y370 HydrophobicContact CB-CD2 3.92Å; F267-Y370 HydrophobicContact CB-CE2 3.39Å; F267-Y370 AromaticContact CD1-CD2 4Å; F267-Y370 HydrophobicContact CD1-CD2 4Å; F267-Y370 HydrophobicContact CD1-CE2 4.12Å; F267-Y370 HydrophobicContact CD1-CG 4.19Å; F267-Y370 HydrophobicContact CD2-CD2 4.04Å; F267-Y370 HydrophobicContact CD2-CE2 4.38Å; F267-Y370 HydrophobicContact CE1-CG 4.43Å; F267-Y370 AromaticContact CG-CD2 3.72Å; F267-Y370 HydrophobicContact CG-CD2 3.72Å; F267-Y370 AromaticContact CG-CE2 3.73Å; F267-Y370 HydrophobicContact CG-CE2 3.73Å; F267-Y370 HydrophobicContact CG-CG 4.36Å
268K90Very high94.3Very high76 Ų7641.2 Ų41.233%0.3319%0.186SC..EExtended strand (participates in β ladder)trans-132.2132.8176179-173.4168-159.30107.9F314 I315 E316 A374K268-F314 HydrophobicContact CD-CE2 4.14Å; K268-F314 HydrophobicContact CD-CZ 4Å; K268-F314 HydrophobicContact CG-CE2 4.03Å; K268-F314 HydrophobicContact CG-CZ 3.84Å; K268-I315 WeakPolarHBondContact CA-O 3.38Å; K268-E316 HydrophobicContact CB-CG 4.4Å; K268-A374 WeakPolarHBondContact O-CB 3.46Å
269L89.4Confident94.3Very high7 Ų739.4 Ų39.44%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-128.7130.6177.5-63.3171.5000109.3F26 F267 F314 I315 F354 A374F26-L269 HydrophobicContact CB-CB 4.26Å; F26-L269 HydrophobicContact CB-CD1 4.23Å; F267-L269 HydrophobicContact CD2-CD1 4Å; F267-L269 HydrophobicContact CD2-CG 3.95Å; F267-L269 HydrophobicContact CE2-CD1 3.92Å; F267-L269 HydrophobicContact CE2-CG 4.34Å; L269-F314 WeakPolarHBondContact O-CA 3.2Å; L269-I315 HydrophobicContact CB-CG2 3.87Å; L269-I315 PolarHBondContact N-O 2.51Å; L269-I315 PolarHBondContact O-N 3.06Å; L269-F354 HydrophobicContact CD1-CE1 3.95Å; L269-F354 HydrophobicContact CD1-CZ 3.71Å; L269-A374 HydrophobicContact CD2-CB 4.35Å
270E88.6Confident94.4Very high68 Ų6839.5 Ų39.532%0.31818%0.175SC..EExtended strand (participates in β ladder)trans-125.2126.5169.3-175.9174.9169.200106.6K312 F314E270-K312 WeakPolarHBondContact OE1-CE 3.27Å; E270-K312 IonicContact OE1-NZ 2.78Å; E270-K312 PolarHBondContact OE1-NZ 2.78Å; E270-F314 HydrophobicContact CB-CD2 4.07Å; E270-F314 HydrophobicContact CG-CD2 4.26Å
271Y90.3Very high94.3Very high47 Ų4745.9 Ų45.918%0.18420%0.199CC..EExtended strand (participates in β ladder)trans-132.8128-177.3-152.6-84.6000110.5F25 F26 L273 K312 A313F25-Y271 HydrophobicContact CD2-CD1 4.14Å; F25-Y271 AromaticContact CD2-CD2 3.98Å; F25-Y271 HydrophobicContact CD2-CD2 3.98Å; F25-Y271 AromaticContact CD2-CE1 3.71Å; F25-Y271 HydrophobicContact CD2-CE1 3.71Å; F25-Y271 AromaticContact CD2-CE2 3.52Å; F25-Y271 HydrophobicContact CD2-CE2 3.52Å; F25-Y271 HydrophobicContact CD2-CG 4.26Å; F25-Y271 AromaticContact CD2-CZ 3.36Å; F25-Y271 AromaticContact CE2-CD1 3.87Å; F25-Y271 HydrophobicContact CE2-CD1 3.87Å; F25-Y271 AromaticContact CE2-CE1 3.44Å; F25-Y271 HydrophobicContact CE2-CE1 3.44Å; F25-Y271 VanDerWaalsContact CE2-CE1 3.44Å; F25-Y271 HydrophobicContact CE2-CE2 4.16Å; F25-Y271 HydrophobicContact CE2-CG 4.39Å; F25-Y271 AromaticContact CE2-CZ 3.59Å; F25-Y271 HydrophobicContact CG-CE2 4.49Å; F26-Y271 WeakPolarHBondContact O-CB 3.39Å; Y271-L273 HydrophobicContact CD1-CB 4.36Å; Y271-L273 HydrophobicContact CE1-CB 4.39Å; Y271-L273 HydrophobicContact CE1-CD1 3.93Å; Y271-K312 WeakPolarHBondContact O-CA 3.42Å; Y271-A313 PolarHBondContact N-O 2.89Å; Y271-A313 PolarHBondContact O-N 3.15Å
272E91.2Very high94.2Very high78 Ų7844.7 Ų44.736%0.36420%0.195SC..EExtended strand (participates in β ladder)trans-107.9130.3172.1-176.2-170.2140.400108.9P148 K312P148-E272 WeakPolarHBondContact CG-OE1 3.42Å; E272-K312 HydrophobicContact CB-CD 4.41Å
273L90.2Very high94.1Very high13 Ų1345.6 Ų45.67%0.06820%0.203CC..EExtended strand (participates in β ladder)trans-126.1119.1-178.3-169.370.7000110.7A18 I27 Y271 L275 V278 H311A18-L273 HydrophobicContact CB-CD1 4.02Å; A18-L273 HydrophobicContact CB-CD2 4.05Å; I27-L273 HydrophobicContact CG2-CD2 4.3Å; Y271-L273 HydrophobicContact CD1-CB 4.36Å; Y271-L273 HydrophobicContact CE1-CB 4.39Å; Y271-L273 HydrophobicContact CE1-CD1 3.93Å; L273-L275 HydrophobicContact CD2-CD1 3.96Å; L273-L275 PolarHBondContact O-N 3.29Å; L273-V278 HydrophobicContact CD1-CG2 3.85Å; L273-V278 HydrophobicContact CD2-CG2 4.12Å; L273-V278 HydrophobicContact CG-CG2 4.12Å; L273-H311 HydrophobicContact CB-CB 4.31Å; L273-H311 PolarHBondContact N-O 2.82Å; L273-H311 PolarHBondContact O-N 3.21Å
274Q90.6Very high94Very high87 Ų8742 Ų4241%0.40719%0.19SC..EExtended strand (participates in β ladder)trans-68.881.3161-70.9-173.3-3.300109.2K276 K277 F310Q274-K276 PolarHBondContact O-N 2.89Å; Q274-K277 PolarHBondContact O-N 3.12Å; Q274-F310 HydrophobicContact CG-CE1 4.47Å
275L95Very high94Very high0 Ų044.6 Ų44.60%021%0.206CC..Hα-helixtrans-61.6-30.2-166.8179.962.2000112.6I14 I32 L273 K277 V278 L279 A309 H311I14-L275 HydrophobicContact CD1-CD1 3.76Å; I32-L275 HydrophobicContact CD1-CD1 4.16Å; I32-L275 HydrophobicContact CG1-CD2 4.32Å; I32-L275 HydrophobicContact CG2-CD1 4.08Å; I32-L275 HydrophobicContact CG2-CD2 3.8Å; L273-L275 HydrophobicContact CD2-CD1 3.96Å; L273-L275 PolarHBondContact O-N 3.29Å; L275-K277 PolarHBondContact O-N 2.97Å; L275-V278 WeakPolarHBondContact O-CB 3.2Å; L275-V278 PolarHBondContact O-N 3.4Å; L275-L279 HydrophobicContact CD1-CD1 4.17Å; L275-L279 HydrophobicContact CD1-CD2 4.11Å; L275-L279 HydrophobicContact CD1-CG 3.82Å; L275-L279 HydrophobicContact CD2-CD1 3.93Å; L275-L279 HydrophobicContact CD2-CG 4.5Å; L275-L279 HydrophobicContact CG-CD1 3.57Å; L275-L279 HydrophobicContact CG-CD2 4.41Å; L275-L279 HydrophobicContact CG-CG 3.75Å; L275-L279 VanDerWaalsContact O-CG 3.31Å; L275-L279 WeakPolarHBondContact O-CG 3.3Å; L275-L279 PolarHBondContact O-N 2.96Å; L275-A309 HydrophobicContact CB-CB 4.04Å; L275-A309 WeakPolarHBondContact CB-O 3.48Å; L275-A309 HydrophobicContact CD2-CB 4.26Å; L275-A309 HydrophobicContact CG-CB 4.3Å; L275-A309 PolarHBondContact N-O 3.14Å; L275-H311 HydrophobicContact CB-CB 4.48Å; L275-H311 HydrophobicContact CD2-CB 4.39Å
276K96.3Very high94Very high44 Ų4445.1 Ų45.119%0.19121%0.209CC..Hα-helixtrans-49.6-52.6178.6170.2174172.7-173.60113.7Q274 V278 L279 Q280 F288 S307 E308 A309Q274-K276 PolarHBondContact O-N 2.89Å; K276-V278 VanDerWaalsContact C-N 3.31Å; K276-V278 PolarHBondContact O-N 2.79Å; K276-L279 PolarHBondContact O-N 3.13Å; K276-Q280 WeakPolarHBondContact O-CG 3.28Å; K276-Q280 PolarHBondContact O-N 3.23Å; K276-F288 HydrophobicContact CB-CD1 4.27Å; K276-F288 HydrophobicContact CB-CE1 3.84Å; K276-F288 HydrophobicContact CB-CZ 4.29Å; K276-F288 HydrophobicContact CD-CD1 3.88Å; K276-F288 HydrophobicContact CD-CE1 4.25Å; K276-F288 HydrophobicContact CG-CD1 3.62Å; K276-F288 HydrophobicContact CG-CE1 3.71Å; K276-F288 HydrophobicContact CG-CG 4.14Å; K276-F288 HydrophobicContact CG-CZ 4.28Å; K276-S307 VanDerWaalsContact CD-O 3.26Å; K276-S307 WeakPolarHBondContact CD-O 3.28Å; K276-S307 WeakPolarHBondContact CE-O 3.2Å; K276-S307 PolarHBondContact NZ-O 3.41Å; K276-E308 WeakPolarHBondContact CD-OE1 3.35Å; K276-E308 WeakPolarHBondContact CD-OE2 3.34Å; K276-E308 IonicContact NZ-OE1 3.23Å; K276-E308 PolarHBondContact NZ-OE1 3.14Å; K276-A309 HydrophobicContact CB-CB 4.5Å; K276-A309 PolarHBondContact N-O 2.75Å
277K95Very high94.2Very high121 Ų12141.4 Ų41.453%0.52619%0.192SC..Hα-helixtrans-65.2-36.8-176.9-70.7178.3-179.2165.40111.9Q274 L275 R281Q274-K277 PolarHBondContact O-N 3.12Å; L275-K277 PolarHBondContact O-N 2.97Å; K277-R281 PolarHBondContact O-N 3.17Å; K277-R281 PolarHBondContact O-NH1 2.69Å
278V96.3Very high94.4Very high4 Ų441.4 Ų41.42%0.02419%0.193CC..Hα-helixtrans-65.7-47.1176.1-179.60000110.3I14 E17 A18 L273 L275 K276 Q280 R281 L282I14-V278 HydrophobicContact CG1-CG1 3.87Å; E17-V278 HydrophobicContact CB-CG1 3.83Å; A18-V278 HydrophobicContact CB-CG1 4.01Å; A18-V278 HydrophobicContact CB-CG2 4.11Å; L273-V278 HydrophobicContact CD1-CG2 3.85Å; L273-V278 HydrophobicContact CD2-CG2 4.12Å; L273-V278 HydrophobicContact CG-CG2 4.12Å; L275-V278 WeakPolarHBondContact O-CB 3.2Å; L275-V278 PolarHBondContact O-N 3.4Å; K276-V278 VanDerWaalsContact C-N 3.31Å; K276-V278 PolarHBondContact O-N 2.79Å; V278-Q280 VanDerWaalsContact C-N 3.32Å; V278-Q280 PolarHBondContact O-N 3.41Å; V278-R281 PolarHBondContact O-N 3.03Å; V278-R281 VanDerWaalsContact O-N 3.16Å; V278-L282 HydrophobicContact CG1-CD1 4.4Å; V278-L282 PolarHBondContact O-N 3.14Å
279L97.4Very high94.7Very high0 Ų040.1 Ų40.10%019%0.191CC..Hα-helixtrans-62.9-38.4178.3-68.3176.6000112.1L36 L275 K276 R281 L282 G283 F284 F288 A309L36-L279 HydrophobicContact CD1-CD2 3.79Å; L36-L279 HydrophobicContact CD2-CD1 3.82Å; L36-L279 HydrophobicContact CD2-CD2 4.48Å; L275-L279 HydrophobicContact CD1-CD1 4.17Å; L275-L279 HydrophobicContact CD1-CD2 4.11Å; L275-L279 HydrophobicContact CD1-CG 3.82Å; L275-L279 HydrophobicContact CD2-CD1 3.93Å; L275-L279 HydrophobicContact CD2-CG 4.5Å; L275-L279 HydrophobicContact CG-CD1 3.57Å; L275-L279 HydrophobicContact CG-CD2 4.41Å; L275-L279 HydrophobicContact CG-CG 3.75Å; L275-L279 VanDerWaalsContact O-CG 3.31Å; L275-L279 WeakPolarHBondContact O-CG 3.3Å; L275-L279 PolarHBondContact O-N 2.96Å; K276-L279 PolarHBondContact O-N 3.13Å; L279-R281 VanDerWaalsContact C-N 3.33Å; L279-R281 PolarHBondContact O-N 2.8Å; L279-L282 HydrophobicContact CD2-CD1 4.31Å; L279-L282 CarbonylContact O-C 3.49Å; L279-L282 WeakPolarHBondContact O-CB 3.48Å; L279-L282 PolarHBondContact O-N 3.11Å; L279-L282 VanDerWaalsContact O-N 3.16Å; L279-G283 PolarHBondContact O-N 2.88Å; L279-G283 VanDerWaalsContact O-N 3.12Å; L279-F284 HydrophobicContact CB-CB 4.03Å; L279-F284 HydrophobicContact CB-CD2 4.07Å; L279-F284 HydrophobicContact CB-CG 4.29Å; L279-F284 HydrophobicContact CD2-CD2 3.85Å; L279-F284 HydrophobicContact CD2-CE2 3.94Å; L279-F284 HydrophobicContact CD2-CG 4.46Å; L279-F284 WeakPolarHBondContact O-CB 3.35Å; L279-F284 WeakPolarHBondContact O-CD2 3.36Å; L279-F284 PolarHBondContact O-N 2.96Å; L279-F288 HydrophobicContact CB-CE2 3.8Å; L279-F288 HydrophobicContact CB-CZ 4Å; L279-F288 HydrophobicContact CD1-CE2 4.29Å; L279-F288 HydrophobicContact CD1-CZ 3.76Å; L279-A309 HydrophobicContact CD1-CB 4.49Å
280Q97.4Very high94.9Very high76 Ų7642.7 Ų42.736%0.35521%0.208SC..Hα-helixtrans-60.1-42173.8-74.5177.3-4500112.1K276 V278 L282 G283 F284 F288K276-Q280 WeakPolarHBondContact O-CG 3.28Å; K276-Q280 PolarHBondContact O-N 3.23Å; V278-Q280 VanDerWaalsContact C-N 3.32Å; V278-Q280 PolarHBondContact O-N 3.41Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.1Å; Q280-G283 WeakPolarHBondContact O-CA 3.34Å; Q280-G283 PolarHBondContact O-N 3.24Å; Q280-F284 WeakPolarHBondContact CA-O 3.44Å; Q280-F288 HydrophobicContact CG-CD2 3.83Å; Q280-F288 HydrophobicContact CG-CE2 4.34Å; Q280-F288 HydrophobicContact CG-CG 4.39Å
281R96.3Very high95.2Very high134 Ų13446.6 Ų46.651%0.50623%0.231SC..Hα-helixtrans-65.7-33.9174.5-68.8-168.3-63.2-88.28.4112.9E17 K277 V278 L279 G283E17-R281 HydrophobicContact CG-CB 4.44Å; E17-R281 PolarHBondContact O-NH2 2.9Å; E17-R281 VanDerWaalsContact OE2-CB 3.24Å; E17-R281 WeakPolarHBondContact OE2-CB 3.34Å; E17-R281 VanDerWaalsContact OE2-CD 3.28Å; E17-R281 WeakPolarHBondContact OE2-CD 3.36Å; E17-R281 IonicContact OE2-NE 2.76Å; E17-R281 PolarHBondContact OE2-NE 2.63Å; K277-R281 PolarHBondContact O-N 3.17Å; K277-R281 PolarHBondContact O-NH1 2.69Å; V278-R281 PolarHBondContact O-N 3.03Å; V278-R281 VanDerWaalsContact O-N 3.16Å; L279-R281 VanDerWaalsContact C-N 3.33Å; L279-R281 PolarHBondContact O-N 2.8Å; R281-G283 PolarHBondContact O-N 2.87Å
282L95.8Very high95.5Very high19 Ų1948.5 Ų48.510%0.09924%0.244CC..THydrogen-bonded Turntrans-70.3-7.2170.8-69.6173.6000113.8F10 R13 I14 E17 K54 V278 L279 Q280 F284F10-L282 HydrophobicContact CE2-CD1 4.46Å; R13-L282 HydrophobicContact CB-CD2 3.87Å; I14-L282 HydrophobicContact CB-CD1 3.94Å; I14-L282 HydrophobicContact CD1-CD1 4.46Å; I14-L282 HydrophobicContact CG1-CD1 4.01Å; E17-L282 HydrophobicContact CB-CD2 4.3Å; E17-L282 HydrophobicContact CB-CG 4.33Å; E17-L282 HydrophobicContact CG-CD2 3.52Å; E17-L282 HydrophobicContact CG-CG 3.89Å; K54-L282 WeakPolarHBondContact CD-O 3.33Å; V278-L282 HydrophobicContact CG1-CD1 4.4Å; V278-L282 PolarHBondContact O-N 3.14Å; L279-L282 HydrophobicContact CD2-CD1 4.31Å; L279-L282 CarbonylContact O-C 3.49Å; L279-L282 WeakPolarHBondContact O-CB 3.48Å; L279-L282 PolarHBondContact O-N 3.11Å; L279-L282 VanDerWaalsContact O-N 3.16Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.1Å; L282-F284 HydrophobicContact CB-CD2 3.92Å; L282-F284 HydrophobicContact CB-CE2 4.06Å
283G96.2Very high95.8Very high18 Ų1844.9 Ų44.919%0.18623%0.227CC..THydrogen-bonded Turntrans92.715.617700000114.9Q50 L279 Q280 R281 T285Q50-G283 WeakPolarHBondContact CG-O 3.47Å; L279-G283 PolarHBondContact O-N 2.88Å; L279-G283 VanDerWaalsContact O-N 3.12Å; Q280-G283 WeakPolarHBondContact O-CA 3.34Å; Q280-G283 PolarHBondContact O-N 3.24Å; R281-G283 PolarHBondContact O-N 2.87Å; G283-T285 PolarHBondContact O-N 2.94Å
284F96.7Very high96.2Very high0 Ų045 Ų450%023%0.228CC..  trans-81.290.2163.6-62.1-95.5000108F10 L36 M51 K54 L55 L279 Q280 L282 M287 F288F10-F284 HydrophobicContact CE2-CE2 4.32Å; F10-F284 HydrophobicContact CE2-CZ 4.34Å; L36-F284 HydrophobicContact CD1-CE1 4.29Å; L36-F284 HydrophobicContact CD1-CZ 4.07Å; M51-F284 HydrophobicContact CB-CE1 4.47Å; M51-F284 HydrophobicContact CG-CD1 4.17Å; M51-F284 HydrophobicContact CG-CE1 4.42Å; K54-F284 HydrophobicContact CB-CD1 4.38Å; K54-F284 HydrophobicContact CB-CD2 4.18Å; K54-F284 HydrophobicContact CB-CE1 3.87Å; K54-F284 HydrophobicContact CB-CE2 3.64Å; K54-F284 HydrophobicContact CB-CZ 3.47Å; K54-F284 VanDerWaalsContact CB-CZ 3.47Å; L55-F284 HydrophobicContact CB-CE1 4.42Å; L55-F284 HydrophobicContact CB-CZ 4.24Å; L55-F284 HydrophobicContact CD1-CZ 4.41Å; L279-F284 HydrophobicContact CB-CB 4.03Å; L279-F284 HydrophobicContact CB-CD2 4.07Å; L279-F284 HydrophobicContact CB-CG 4.29Å; L279-F284 HydrophobicContact CD2-CD2 3.85Å; L279-F284 HydrophobicContact CD2-CE2 3.94Å; L279-F284 HydrophobicContact CD2-CG 4.46Å; L279-F284 WeakPolarHBondContact O-CB 3.35Å; L279-F284 WeakPolarHBondContact O-CD2 3.36Å; L279-F284 PolarHBondContact O-N 2.96Å; Q280-F284 WeakPolarHBondContact CA-O 3.44Å; L282-F284 HydrophobicContact CB-CD2 3.92Å; L282-F284 HydrophobicContact CB-CE2 4.06Å; F284-M287 HydrophobicContact CB-CG 4.27Å; F284-M287 HydrophobicContact CB-SD 3.82Å; F284-M287 HydrophobicContact CD1-SD 3.89Å; F284-M287 HydrophobicContact CG-SD 4.24Å; F284-F288 HydrophobicContact CB-CE2 4.06Å; F284-F288 WeakPolarHBondContact O-CD2 3.34Å; F284-F288 WeakPolarHBondContact O-CE2 3.42Å
285T97Very high96.4Very high56 Ų5640.9 Ų40.934%0.34421%0.209SC..  trans-108.3-42.1-175.556.60000112.8Q50 G283 M287 F288 T289Q50-T285 PolarHBondContact NE2-OG1 2.96Å; G283-T285 PolarHBondContact O-N 2.94Å; T285-M287 PolarHBondContact O-N 3.46Å; T285-F288 PolarHBondContact O-N 3.04Å; T285-T289 PolarHBondContact O-N 3.29Å; T285-T289 PolarHBondContact O-OG1 3.15Å
286D97.8Very high96.5Very high11 Ų1142.2 Ų42.26%0.05922%0.218CC..G310 helixtrans-66.2-42.3-170.7-70.427.3000110.6N46 Q50 F288 T289 L292 A293N46-D286 PolarHBondContact ND2-OD2 3.45Å; Q50-D286 PolarHBondContact NE2-OD1 3.19Å; D286-F288 PolarHBondContact O-N 3.47Å; D286-F288 VanDerWaalsContact O-N 3.08Å; D286-T289 PolarHBondContact O-N 2.5Å; D286-L292 HydrophobicContact CB-CB 4.28Å; D286-A293 VanDerWaalsContact O-CA 3.28Å; D286-A293 WeakPolarHBondContact O-CA 3.47Å; D286-A293 VanDerWaalsContact O-CB 3.32Å; D286-A293 WeakPolarHBondContact O-CB 3.49Å; D286-A293 PolarHBondContact O-N 3.39Å
287M97.5Very high96.5Very high0 Ų044 Ų440%023%0.226CC..G310 helixtrans-58.6-24.517965.2-178.6-65.800114L36 T39 T47 M51 F284 T285 F295 V306L36-M287 HydrophobicContact CD2-CE 4.12Å; L36-M287 HydrophobicContact CD2-SD 4.4Å; T39-M287 HydrophobicContact CG2-CE 4.04Å; T47-M287 HydrophobicContact CG2-CB 4.05Å; M51-M287 HydrophobicContact CE-CE 4.41Å; M51-M287 HydrophobicContact CE-SD 4.34Å; M51-M287 HydrophobicContact CG-SD 4.44Å; F284-M287 HydrophobicContact CB-CG 4.27Å; F284-M287 HydrophobicContact CB-SD 3.82Å; F284-M287 HydrophobicContact CD1-SD 3.89Å; F284-M287 HydrophobicContact CG-SD 4.24Å; T285-M287 PolarHBondContact O-N 3.46Å; M287-F295 HydrophobicContact CB-CE2 3.95Å; M287-F295 HydrophobicContact CB-CZ 3.64Å; M287-V306 HydrophobicContact CE-CB 4.12Å; M287-V306 HydrophobicContact CE-CG1 4.38Å; M287-V306 HydrophobicContact CE-CG2 3.67Å; M287-V306 PolarHBondContact O-N 3.02Å
288F97.4Very high96.6Very high11 Ų1138.2 Ų38.25%0.04820%0.201CC..G310 helixtrans-100.40.6178.9-58.8-76.4000113.5K276 L279 Q280 F284 T285 D286 V306 A309K276-F288 HydrophobicContact CB-CD1 4.27Å; K276-F288 HydrophobicContact CB-CE1 3.84Å; K276-F288 HydrophobicContact CB-CZ 4.29Å; K276-F288 HydrophobicContact CD-CD1 3.88Å; K276-F288 HydrophobicContact CD-CE1 4.25Å; K276-F288 HydrophobicContact CG-CD1 3.62Å; K276-F288 HydrophobicContact CG-CE1 3.71Å; K276-F288 HydrophobicContact CG-CG 4.14Å; K276-F288 HydrophobicContact CG-CZ 4.28Å; L279-F288 HydrophobicContact CB-CE2 3.8Å; L279-F288 HydrophobicContact CB-CZ 4Å; L279-F288 HydrophobicContact CD1-CE2 4.29Å; L279-F288 HydrophobicContact CD1-CZ 3.76Å; Q280-F288 HydrophobicContact CG-CD2 3.83Å; Q280-F288 HydrophobicContact CG-CE2 4.34Å; Q280-F288 HydrophobicContact CG-CG 4.39Å; F284-F288 HydrophobicContact CB-CE2 4.06Å; F284-F288 WeakPolarHBondContact O-CD2 3.34Å; F284-F288 WeakPolarHBondContact O-CE2 3.42Å; T285-F288 PolarHBondContact O-N 3.04Å; D286-F288 PolarHBondContact O-N 3.47Å; D286-F288 VanDerWaalsContact O-N 3.08Å; F288-V306 WeakPolarHBondContact CA-O 3.47Å; F288-V306 HydrophobicContact CD1-CB 3.95Å; F288-V306 HydrophobicContact CD1-CG1 3.89Å; F288-V306 VanDerWaalsContact CD1-O 3.26Å; F288-V306 WeakPolarHBondContact CD1-O 3.47Å; F288-V306 HydrophobicContact CE1-CB 3.96Å; F288-V306 HydrophobicContact CE1-CG1 3.5Å; F288-V306 HydrophobicContact CZ-CG1 4.44Å; F288-A309 HydrophobicContact CE1-CB 4.28Å
289T96.8Very high96.3Very high48 Ų4838.8 Ų38.829%0.29420%0.204SC..  trans-109.4114.8-173.4-57.10000110.2T285 D286 N291 L292 A293T285-T289 PolarHBondContact O-N 3.29Å; T285-T289 PolarHBondContact O-OG1 3.15Å; D286-T289 PolarHBondContact O-N 2.5Å; T289-N291 VanDerWaalsContact C-N 3.31Å; T289-N291 PolarHBondContact O-N 3.32Å; T289-N291 VanDerWaalsContact O-N 3.11Å; T289-L292 HydrophobicContact CG2-CB 4.14Å; T289-L292 HydrophobicContact CG2-CD1 3.8Å; T289-L292 HydrophobicContact CG2-CG 3.81Å; T289-L292 PolarHBondContact O-N 2.93Å; T289-A293 WeakPolarHBondContact O-CB 3.14Å; T289-A293 PolarHBondContact O-N 2.91Å
290P93.9Very high96.1Very high61 Ų6141.4 Ų41.440%0.39623%0.232SC..THydrogen-bonded Turntrans-51.7-40.6-170.7-28.732.8000115.7Y305P290-Y305 HydrophobicContact CB-CD1 3.72Å; P290-Y305 HydrophobicContact CB-CE1 3.78Å; P290-Y305 HydrophobicContact CB-CG 4.27Å; P290-Y305 HydrophobicContact CG-CD1 3.83Å; P290-Y305 HydrophobicContact CG-CD2 4.14Å; P290-Y305 HydrophobicContact CG-CE1 3.64Å; P290-Y305 HydrophobicContact CG-CE2 3.98Å; P290-Y305 HydrophobicContact CG-CG 4.08Å
291N94.2Very high95.8Very high151 Ų15139.6 Ų39.681%0.80723%0.228SC*.THydrogen-bonded Turntrans-89.9-4.3-176.1-62.3-22.1000114T289T289-N291 VanDerWaalsContact C-N 3.31Å; T289-N291 PolarHBondContact O-N 3.32Å; T289-N291 VanDerWaalsContact O-N 3.11Å
292L96.7Very high95.5Very high87 Ų8739.9 Ų39.946%0.45523%0.228SC..THydrogen-bonded Turntrans-112.1-34.8-179.5-60.7-180000112.1T47 D286 T289 D294T47-L292 PolarHBondContact OG1-O 2.96Å; D286-L292 HydrophobicContact CB-CB 4.28Å; T289-L292 HydrophobicContact CG2-CB 4.14Å; T289-L292 HydrophobicContact CG2-CD1 3.8Å; T289-L292 HydrophobicContact CG2-CG 3.81Å; T289-L292 PolarHBondContact O-N 2.93Å; L292-D294 PolarHBondContact O-N 3.26Å
293A97.5Very high94.9Very high1 Ų144.4 Ų44.41%0.00825%0.253CS..  trans-53132.1-178.600000111.1T47 D286 T289 F295 F304 Y305T47-A293 WeakPolarHBondContact OG1-CA 3.43Å; D286-A293 VanDerWaalsContact O-CA 3.28Å; D286-A293 WeakPolarHBondContact O-CA 3.47Å; D286-A293 VanDerWaalsContact O-CB 3.32Å; D286-A293 WeakPolarHBondContact O-CB 3.49Å; D286-A293 PolarHBondContact O-N 3.39Å; T289-A293 WeakPolarHBondContact O-CB 3.14Å; T289-A293 PolarHBondContact O-N 2.91Å; A293-F295 HydrophobicContact CB-CD2 4.19Å; A293-F295 HydrophobicContact CB-CE2 4.21Å; A293-F304 WeakPolarHBondContact CB-O 3.3Å; A293-Y305 VanDerWaalsContact CB-CB 3.5Å
294D97.7Very high94.6Very high15 Ų1544.4 Ų44.48%0.0825%0.248CC..  trans-127.791.9175-172.7-7.9000109.5S43 S44 T47 L292 S296 R302S43-D294 CarbonylContact C-O 3.52Å; S43-D294 WeakPolarHBondContact CA-O 3.35Å; S44-D294 PolarHBondContact N-O 2.79Å; T47-D294 PolarHBondContact OG1-N 2.88Å; L292-D294 PolarHBondContact O-N 3.26Å; D294-S296 VanDerWaalsContact OD1-CB 3.22Å; D294-S296 WeakPolarHBondContact OD1-CB 3.27Å; D294-S296 PolarHBondContact OD1-N 2.78Å; D294-S296 VanDerWaalsContact OD1-N 3.15Å; D294-S296 PolarHBondContact OD1-OG 2.92Å; D294-R302 IonicContact OD2-NE 3.14Å
295F96.6Very high94.6Very high1 Ų146.5 Ų46.50%0.00426%0.256CS..  trans-107.130.8172.4-69.3-66.1000112.1T39 G42 T47 M51 M287 A293 K297 I298 V306T39-F295 HydrophobicContact CG2-CD1 4.5Å; T39-F295 HydrophobicContact CG2-CE1 3.51Å; T39-F295 HydrophobicContact CG2-CZ 3.77Å; G42-F295 CarbonylContact O-C 3.55Å; G42-F295 VanDerWaalsContact O-CA 3.28Å; G42-F295 WeakPolarHBondContact O-CA 3.28Å; T47-F295 HydrophobicContact CG2-CE1 4.37Å; T47-F295 HydrophobicContact CG2-CE2 4.49Å; T47-F295 HydrophobicContact CG2-CZ 4.09Å; M51-F295 HydrophobicContact SD-CE1 4.4Å; M287-F295 HydrophobicContact CB-CE2 3.95Å; M287-F295 HydrophobicContact CB-CZ 3.64Å; A293-F295 HydrophobicContact CB-CD2 4.19Å; A293-F295 HydrophobicContact CB-CE2 4.21Å; F295-K297 PolarHBondContact O-N 3.18Å; F295-I298 HydrophobicContact CB-CD1 3.97Å; F295-I298 HydrophobicContact CB-CG1 4.15Å; F295-I298 HydrophobicContact CD1-CD1 3.89Å; F295-I298 HydrophobicContact CD1-CG1 4.48Å; F295-I298 HydrophobicContact CG-CD1 4.15Å; F295-I298 WeakPolarHBondContact O-CA 3.46Å; F295-I298 WeakPolarHBondContact O-CB 3.43Å; F295-I298 PolarHBondContact O-N 2.82Å; F295-V306 HydrophobicContact CE2-CG2 3.82Å; F295-V306 HydrophobicContact CZ-CG2 3.82Å
296S96.4Very high94.6Very high29 Ų2943.9 Ų43.920%0.20324%0.24CC..Hα-helixtrans-59.5-19.2-179.854.30000114.1D294 I298 G300 S301D294-S296 VanDerWaalsContact OD1-CB 3.22Å; D294-S296 WeakPolarHBondContact OD1-CB 3.27Å; D294-S296 PolarHBondContact OD1-N 2.78Å; D294-S296 VanDerWaalsContact OD1-N 3.15Å; D294-S296 PolarHBondContact OD1-OG 2.92Å; S296-I298 VanDerWaalsContact C-N 3.28Å; S296-I298 PolarHBondContact O-N 3.34Å; S296-G300 WeakPolarHBondContact O-CA 3.46Å; S296-G300 PolarHBondContact O-N 2.87Å; S296-S301 VanDerWaalsContact CA-O 3.23Å; S296-S301 WeakPolarHBondContact CA-O 3.39Å
297K96.3Very high94.5Very high80 Ų8043.7 Ų43.735%0.34824%0.239SC..Hα-helixtrans-79.3-10.2172.2-55.3-175.4-179.1178.40113.4G42 S43 F104 F295G42-K297 WeakPolarHBondContact O-CB 3.27Å; G42-K297 PolarHBondContact O-N 2.81Å; S43-K297 WeakPolarHBondContact O-CD 2.92Å; F104-K297 WeakPolarHBondContact CB-O 3.5Å; F295-K297 PolarHBondContact O-N 3.18Å
298I95.8Very high94.5Very high1 Ų145.6 Ų45.61%0.00525%0.248CC..Hα-helixtrans-83.8-43.8169.7-55.2-173.6000110.2G42 L98 L101 F104 I116 L158 F295 S296G42-I298 VanDerWaalsContact CA-CG1 3.44Å; L98-I298 HydrophobicContact CD1-CG2 4.49Å; L98-I298 HydrophobicContact CD2-CG2 4.16Å; L101-I298 WeakPolarHBondContact CG-O 3.27Å; L101-I298 PolarHBondContact N-O 2.54Å; F104-I298 HydrophobicContact CD1-CB 4.37Å; F104-I298 HydrophobicContact CD1-CG1 4.31Å; F104-I298 HydrophobicContact CD1-CG2 3.93Å; F104-I298 HydrophobicContact CD2-CG1 4.09Å; F104-I298 HydrophobicContact CE1-CB 4.47Å; F104-I298 HydrophobicContact CE1-CD1 4.35Å; F104-I298 HydrophobicContact CE1-CG1 4.1Å; F104-I298 HydrophobicContact CE1-CG2 3.9Å; F104-I298 HydrophobicContact CE2-CD1 4.33Å; F104-I298 HydrophobicContact CE2-CG1 3.89Å; F104-I298 HydrophobicContact CG-CG1 4.31Å; F104-I298 HydrophobicContact CZ-CD1 3.98Å; F104-I298 HydrophobicContact CZ-CG1 3.88Å; I116-I298 HydrophobicContact CD1-CG2 4.03Å; L158-I298 HydrophobicContact CD2-CD1 3.99Å; F295-I298 HydrophobicContact CB-CD1 3.97Å; F295-I298 HydrophobicContact CB-CG1 4.15Å; F295-I298 HydrophobicContact CD1-CD1 3.89Å; F295-I298 HydrophobicContact CD1-CG1 4.48Å; F295-I298 HydrophobicContact CG-CD1 4.15Å; F295-I298 WeakPolarHBondContact O-CA 3.46Å; F295-I298 WeakPolarHBondContact O-CB 3.43Å; F295-I298 PolarHBondContact O-N 2.82Å; S296-I298 VanDerWaalsContact C-N 3.28Å; S296-I298 PolarHBondContact O-N 3.34Å
299T91.8Very high94.5Very high15 Ų1545.1 Ų45.19%0.09225%0.246CC..Hα-helixtrans-123.8-14.6-165.2660000116.2L98 H99 S301 F304L98-T299 HydrophobicContact CD1-CG2 3.92Å; L98-T299 HydrophobicContact CD2-CG2 3.75Å; L98-T299 HydrophobicContact CG-CG2 3.51Å; H99-T299 VanDerWaalsContact O-CA 3.29Å; H99-T299 WeakPolarHBondContact O-CA 3.4Å; T299-S301 VanDerWaalsContact C-N 3.3Å; T299-S301 PolarHBondContact OG1-N 3.46Å; T299-S301 PolarHBondContact OG1-O 3.01Å; T299-S301 PolarHBondContact OG1-OG 3.44Å; T299-F304 HydrophobicContact CG2-CD2 3.67Å; T299-F304 HydrophobicContact CG2-CE2 3.85Å; T299-F304 HydrophobicContact CG2-CG 4.3Å
300G92.4Very high94.5Very high56 Ų5642.9 Ų42.958%0.57723%0.232SC*.SBendtrans85.2-7.1-16900000114.5S296S296-G300 WeakPolarHBondContact O-CA 3.46Å; S296-G300 PolarHBondContact O-N 2.87Å
301S91Very high94.6Very high38 Ų3840 Ų4027%0.26621%0.213SC..SBendtrans-130.3166.8-179.2790000112.9S296 T299 D303S296-S301 VanDerWaalsContact CA-O 3.23Å; S296-S301 WeakPolarHBondContact CA-O 3.39Å; T299-S301 VanDerWaalsContact C-N 3.3Å; T299-S301 PolarHBondContact OG1-N 3.46Å; T299-S301 PolarHBondContact OG1-O 3.01Å; T299-S301 PolarHBondContact OG1-OG 3.44Å; S301-D303 WeakPolarHBondContact CB-OD2 3.03Å; S301-D303 PolarHBondContact OG-OD2 2.91Å
302R89.3Confident94.7Very high139 Ų13933.6 Ų33.653%0.52518%0.179SC..SBendtrans-98.327.9-179.6-69.4-174.563.6-166.5-0.2113.1D294D294-R302 IonicContact OD2-NE 3.14Å
303D84.3Confident94.5Very high114 Ų11429.5 Ų29.561%0.6116%0.157SC*.  trans-95.15.2-170.3-48-42000113.4S301S301-D303 WeakPolarHBondContact CB-OD2 3.03Å; S301-D303 PolarHBondContact OG-OD2 2.91Å
304F90.5Very high94.1Very high19 Ų1930.5 Ų30.58%0.08316%0.161CC..  trans-121.8144.1-174-73.3-89.7000112.3H95 L98 R157 A293 T299H95-F304 HydrophobicContact CB-CE1 4.2Å; L98-F304 HydrophobicContact CB-CE1 3.83Å; L98-F304 HydrophobicContact CB-CE2 4.44Å; L98-F304 HydrophobicContact CB-CZ 3.63Å; L98-F304 HydrophobicContact CD1-CD1 3.67Å; L98-F304 HydrophobicContact CD1-CE1 3.53Å; L98-F304 HydrophobicContact CD1-CE2 4.44Å; L98-F304 HydrophobicContact CD1-CG 4.21Å; L98-F304 HydrophobicContact CD1-CZ 3.94Å; L98-F304 HydrophobicContact CG-CD1 4.38Å; L98-F304 HydrophobicContact CG-CE1 3.86Å; L98-F304 HydrophobicContact CG-CE2 4.17Å; L98-F304 HydrophobicContact CG-CZ 3.74Å; R157-F304 HydrophobicContact CB-CD1 4Å; A293-F304 WeakPolarHBondContact CB-O 3.3Å; T299-F304 HydrophobicContact CG2-CD2 3.67Å; T299-F304 HydrophobicContact CG2-CE2 3.85Å; T299-F304 HydrophobicContact CG2-CG 4.3Å
305Y95.7Very high93.7Very high44 Ų4429.8 Ų29.817%0.17316%0.158CC..  trans-140.2154.4172.562.5-81.9000108.9L155 R157 L158 P290 A293 S307L155-Y305 PolarHBondContact O-OH 2.88Å; R157-Y305 HydrophobicContact CB-CD1 4.35Å; R157-Y305 HydrophobicContact CB-CE1 4.19Å; R157-Y305 HydrophobicContact CG-CD1 4.08Å; R157-Y305 HydrophobicContact CG-CE1 3.54Å; L158-Y305 WeakPolarHBondContact CB-O 3.38Å; L158-Y305 PolarHBondContact N-O 3.03Å; P290-Y305 HydrophobicContact CB-CD1 3.72Å; P290-Y305 HydrophobicContact CB-CE1 3.78Å; P290-Y305 HydrophobicContact CB-CG 4.27Å; P290-Y305 HydrophobicContact CG-CD1 3.83Å; P290-Y305 HydrophobicContact CG-CD2 4.14Å; P290-Y305 HydrophobicContact CG-CE1 3.64Å; P290-Y305 HydrophobicContact CG-CE2 3.98Å; P290-Y305 HydrophobicContact CG-CG 4.08Å; A293-Y305 VanDerWaalsContact CB-CB 3.5Å; Y305-S307 WeakPolarHBondContact CE2-OG 3.5Å; Y305-S307 PolarHBondContact O-N 2.71Å; Y305-S307 VanDerWaalsContact O-N 3.15Å
306V96.8Very high93.3Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-68.8112.2170.3-179.60000107.5T39 L158 L160 M287 F288 F295 E308T39-V306 HydrophobicContact CG2-CG2 4.15Å; L158-V306 HydrophobicContact CD2-CG2 3.89Å; L158-V306 HydrophobicContact CG-CG2 4.36Å; L158-V306 CarbonylContact O-C 3.48Å; L160-V306 HydrophobicContact CB-CG1 4.45Å; M287-V306 HydrophobicContact CE-CB 4.12Å; M287-V306 HydrophobicContact CE-CG1 4.38Å; M287-V306 HydrophobicContact CE-CG2 3.67Å; M287-V306 PolarHBondContact O-N 3.02Å; F288-V306 WeakPolarHBondContact CA-O 3.47Å; F288-V306 HydrophobicContact CD1-CB 3.95Å; F288-V306 HydrophobicContact CD1-CG1 3.89Å; F288-V306 VanDerWaalsContact CD1-O 3.26Å; F288-V306 WeakPolarHBondContact CD1-O 3.47Å; F288-V306 HydrophobicContact CE1-CB 3.96Å; F288-V306 HydrophobicContact CE1-CG1 3.5Å; F288-V306 HydrophobicContact CZ-CG1 4.44Å; F295-V306 HydrophobicContact CE2-CG2 3.82Å; F295-V306 HydrophobicContact CZ-CG2 3.82Å; V306-E308 WeakPolarHBondContact CG1-O 3.48Å
307S96.9Very high93.1Very high7 Ų731.6 Ų31.65%0.04916%0.163CC..EExtended strand (participates in β ladder)trans-78.3-44.3178.1-58.20000110.7R157 L158 K276 Y305R157-S307 PolarHBondContact N-OG 2.89Å; L158-S307 PolarHBondContact O-N 3.29Å; K276-S307 VanDerWaalsContact CD-O 3.26Å; K276-S307 WeakPolarHBondContact CD-O 3.28Å; K276-S307 WeakPolarHBondContact CE-O 3.2Å; K276-S307 PolarHBondContact NZ-O 3.41Å; Y305-S307 WeakPolarHBondContact CE2-OG 3.5Å; Y305-S307 PolarHBondContact O-N 2.71Å; Y305-S307 VanDerWaalsContact O-N 3.15Å
308E96.7Very high92.9Very high41 Ų4128.5 Ų28.519%0.19215%0.15CC..EExtended strand (participates in β ladder)trans-145.3155-179.9-70.6-56.5142.500111.5V159 L160 K276 V306 F310V159-E308 WeakPolarHBondContact CA-O 3.44Å; L160-E308 PolarHBondContact N-O 2.84Å; K276-E308 WeakPolarHBondContact CD-OE1 3.35Å; K276-E308 WeakPolarHBondContact CD-OE2 3.34Å; K276-E308 IonicContact NZ-OE1 3.23Å; K276-E308 PolarHBondContact NZ-OE1 3.14Å; V306-E308 WeakPolarHBondContact CG1-O 3.48Å; E308-F310 HydrophobicContact CB-CD2 4.31Å; E308-F310 HydrophobicContact CB-CE2 3.4Å; E308-F310 HydrophobicContact CB-CZ 3.72Å; E308-F310 HydrophobicContact CG-CE2 4.25Å; E308-F310 HydrophobicContact CG-CZ 4.11Å
309A97.4Very high92.7Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-139.1132.4175.900000109.4L160 L275 K276 L279 F288L160-A309 HydrophobicContact CB-CB 3.97Å; L160-A309 HydrophobicContact CD2-CB 4.33Å; L160-A309 HydrophobicContact CG-CB 4.46Å; L160-A309 CarbonylContact O-C 3.6Å; L160-A309 VanDerWaalsContact O-CA 3.32Å; L160-A309 WeakPolarHBondContact O-CA 3.38Å; L275-A309 HydrophobicContact CB-CB 4.04Å; L275-A309 WeakPolarHBondContact CB-O 3.48Å; L275-A309 HydrophobicContact CD2-CB 4.26Å; L275-A309 HydrophobicContact CG-CB 4.3Å; L275-A309 PolarHBondContact N-O 3.14Å; K276-A309 HydrophobicContact CB-CB 4.5Å; K276-A309 PolarHBondContact N-O 2.75Å; L279-A309 HydrophobicContact CD1-CB 4.49Å; F288-A309 HydrophobicContact CE1-CB 4.28Å
310F96.8Very high92.4Very high1 Ų131.4 Ų31.40%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-129.7137.7-175.6-58-88000111.1L146 I147 P148 A151 L152 V159 L160 N162 Q274 E308L146-F310 HydrophobicContact CD1-CB 3.9Å; L146-F310 HydrophobicContact CD2-CB 4.42Å; L146-F310 HydrophobicContact CG-CB 4.03Å; I147-F310 HydrophobicContact CD1-CB 3.94Å; I147-F310 HydrophobicContact CD1-CD1 4.17Å; I147-F310 HydrophobicContact CD1-CD2 3.17Å; I147-F310 HydrophobicContact CD1-CE2 3.59Å; I147-F310 HydrophobicContact CD1-CG 3.49Å; I147-F310 VanDerWaalsContact CD1-CG 3.49Å; I147-F310 HydrophobicContact CD1-CZ 4.27Å; I147-F310 HydrophobicContact CG2-CE2 4.33Å; I147-F310 HydrophobicContact CG2-CZ 4.25Å; P148-F310 HydrophobicContact CG-CE1 4.49Å; A151-F310 HydrophobicContact CB-CE1 4.02Å; A151-F310 HydrophobicContact CB-CZ 3.75Å; L152-F310 HydrophobicContact CD2-CE2 4.39Å; V159-F310 HydrophobicContact CG1-CD2 3.9Å; V159-F310 HydrophobicContact CG1-CE2 3.91Å; L160-F310 PolarHBondContact O-N 3.19Å; N162-F310 PolarHBondContact N-O 2.88Å; Q274-F310 HydrophobicContact CG-CE1 4.47Å; E308-F310 HydrophobicContact CB-CD2 4.31Å; E308-F310 HydrophobicContact CB-CE2 3.4Å; E308-F310 HydrophobicContact CB-CZ 3.72Å; E308-F310 HydrophobicContact CG-CE2 4.25Å; E308-F310 HydrophobicContact CG-CZ 4.11Å
311H96.2Very high91.5Very high0 Ų028.9 Ų28.90%014%0.136CC..EExtended strand (participates in β ladder)trans-128.3133.3172.6175.467.2000110.1S28 I32 N162 L273 L275S28-H311 PolarHBondContact N-NE2 3.11Å; I32-H311 HydrophobicContact CD1-CB 4.24Å; I32-H311 HydrophobicContact CG1-CB 4.15Å; N162-H311 VanDerWaalsContact O-CA 3.27Å; N162-H311 WeakPolarHBondContact O-CA 3.21Å; N162-H311 PolarHBondContact OD1-CE1 2.83Å; N162-H311 VanDerWaalsContact OD1-CE1 3.29Å; N162-H311 PolarHBondContact OD1-ND1 3.38Å; L273-H311 HydrophobicContact CB-CB 4.31Å; L273-H311 PolarHBondContact N-O 2.82Å; L273-H311 PolarHBondContact O-N 3.21Å; L275-H311 HydrophobicContact CB-CB 4.48Å; L275-H311 HydrophobicContact CD2-CB 4.39Å
312K95.1Very high89.3Confident18 Ų1827.2 Ų27.28%0.07812%0.124CC..EExtended strand (participates in β ladder)trans-134.8131.6170.1-169.5162179.8174.50110.7I143 K144 L146 N162 A163 I164 E270 Y271 E272I143-K312 HydrophobicContact CG2-CB 4.1Å; I143-K312 HydrophobicContact CG2-CD 3.76Å; I143-K312 HydrophobicContact CG2-CG 3.88Å; K144-K312 PolarHBondContact O-NZ 2.9Å; L146-K312 HydrophobicContact CD1-CB 3.4Å; N162-K312 PolarHBondContact O-N 3.16Å; N162-K312 VanDerWaalsContact O-N 3.09Å; A163-K312 WeakPolarHBondContact CA-O 3.45Å; I164-K312 PolarHBondContact N-O 3.2Å; I164-K312 VanDerWaalsContact N-O 3.12Å; E270-K312 WeakPolarHBondContact OE1-CE 3.27Å; E270-K312 IonicContact OE1-NZ 2.78Å; E270-K312 PolarHBondContact OE1-NZ 2.78Å; Y271-K312 WeakPolarHBondContact O-CA 3.42Å; E272-K312 HydrophobicContact CB-CD 4.41Å
313A92.8Very high86.6Confident0 Ų028 Ų280%013%0.133CC..EExtended strand (participates in β ladder)trans-133.3148.1-179.300000110.8F26 I164 Y271F26-A313 HydrophobicContact CD1-CB 3.78Å; F26-A313 HydrophobicContact CE1-CB 3.64Å; I164-A313 HydrophobicContact CG2-CB 4.04Å; I164-A313 WeakPolarHBondContact O-CA 3.24Å; Y271-A313 PolarHBondContact N-O 2.89Å; Y271-A313 PolarHBondContact O-N 3.15Å
314F89.4Confident84.2Confident22 Ų2225.8 Ų25.810%0.09613%0.131CC..EExtended strand (participates in β ladder)trans-133.4136.8179.7179.1-79.3000110I164 Y165 K268 L269 E270 E316I164-F314 PolarHBondContact O-N 2.83Å; Y165-F314 HydrophobicContact CD2-CB 4.12Å; Y165-F314 AromaticContact CD2-CD1 3.69Å; Y165-F314 HydrophobicContact CD2-CD1 3.69Å; Y165-F314 HydrophobicContact CD2-CE1 4.47Å; Y165-F314 HydrophobicContact CD2-CG 4.12Å; Y165-F314 AromaticContact CE2-CD1 3.44Å; Y165-F314 HydrophobicContact CE2-CD1 3.44Å; Y165-F314 VanDerWaalsContact CE2-CD1 3.44Å; Y165-F314 AromaticContact CE2-CE1 3.77Å; Y165-F314 HydrophobicContact CE2-CE1 3.77Å; Y165-F314 HydrophobicContact CE2-CG 4.21Å; K268-F314 HydrophobicContact CD-CE2 4.14Å; K268-F314 HydrophobicContact CD-CZ 4Å; K268-F314 HydrophobicContact CG-CE2 4.03Å; K268-F314 HydrophobicContact CG-CZ 3.84Å; L269-F314 WeakPolarHBondContact O-CA 3.2Å; E270-F314 HydrophobicContact CB-CD2 4.07Å; E270-F314 HydrophobicContact CG-CD2 4.26Å; F314-E316 HydrophobicContact CE1-CB 3.97Å; F314-E316 HydrophobicContact CZ-CB 4.38Å
315I88.8Confident81.2Confident1 Ų128.7 Ų28.71%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-142.3143.7171.7-171.3168.7000110.8F26 M225 K268 L269 I317 F354 I356F26-I315 HydrophobicContact CD1-CB 4.31Å; F26-I315 HydrophobicContact CD1-CG2 3.75Å; F26-I315 HydrophobicContact CD2-CG2 3.92Å; F26-I315 HydrophobicContact CE1-CB 3.69Å; F26-I315 HydrophobicContact CE1-CG2 3.64Å; F26-I315 HydrophobicContact CE2-CB 4.02Å; F26-I315 HydrophobicContact CE2-CD1 3.74Å; F26-I315 HydrophobicContact CE2-CG2 3.75Å; F26-I315 HydrophobicContact CG-CG2 3.84Å; F26-I315 HydrophobicContact CZ-CB 3.48Å; F26-I315 VanDerWaalsContact CZ-CB 3.48Å; F26-I315 HydrophobicContact CZ-CD1 3.84Å; F26-I315 HydrophobicContact CZ-CG1 4.22Å; F26-I315 HydrophobicContact CZ-CG2 3.61Å; M225-I315 HydrophobicContact CE-CD1 4.49Å; K268-I315 WeakPolarHBondContact CA-O 3.38Å; L269-I315 HydrophobicContact CB-CG2 3.87Å; L269-I315 PolarHBondContact N-O 2.51Å; L269-I315 PolarHBondContact O-N 3.06Å; I315-I317 HydrophobicContact CD1-CD1 4.03Å; I315-I317 HydrophobicContact CD1-CG1 4.42Å; I315-I317 HydrophobicContact CG1-CD1 4.12Å; I315-I317 HydrophobicContact CG1-CG1 4.36Å; I315-F354 HydrophobicContact CD1-CE2 4.13Å; I315-I356 HydrophobicContact CD1-CD1 3.58Å
316E89.1Confident77.9Confident67 Ų6730.1 Ų30.131%0.31318%0.179SC..EExtended strand (participates in β ladder)trans-130.1129.4172-173-171164.200109.1K268 F314 N318K268-E316 HydrophobicContact CB-CG 4.4Å; F314-E316 HydrophobicContact CE1-CB 3.97Å; F314-E316 HydrophobicContact CZ-CB 4.38Å; E316-N318 PolarHBondContact OE1-ND2 3.47Å
317I91.4Very high74.6Confident1 Ų135.2 Ų35.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-116.2114.2177.1-61-56.5000107.9W170 M197 M225 K266 F267 I315W170-I317 HydrophobicContact CH2-CD1 4.26Å; W170-I317 HydrophobicContact CZ2-CD1 4.09Å; W170-I317 HydrophobicContact CZ2-CG2 4.13Å; M197-I317 HydrophobicContact CE-CG2 3.84Å; M225-I317 HydrophobicContact CE-CD1 3.75Å; M225-I317 HydrophobicContact CE-CG1 4.05Å; M225-I317 HydrophobicContact SD-CD1 3.47Å; M225-I317 WeakPolarHBondContact SD-CD1 3.38Å; M225-I317 HydrophobicContact SD-CG1 4.36Å; K266-I317 WeakPolarHBondContact CA-O 3.49Å; K266-I317 WeakPolarHBondContact CG-O 3.18Å; F267-I317 HydrophobicContact CD1-CB 4.22Å; F267-I317 HydrophobicContact CD1-CG2 4.46Å; F267-I317 HydrophobicContact CD2-CB 4.4Å; F267-I317 HydrophobicContact CD2-CG1 4.31Å; F267-I317 HydrophobicContact CE1-CB 3.98Å; F267-I317 HydrophobicContact CE1-CG1 4.04Å; F267-I317 HydrophobicContact CE1-CG2 4.08Å; F267-I317 HydrophobicContact CE2-CB 4.22Å; F267-I317 HydrophobicContact CE2-CG1 3.7Å; F267-I317 HydrophobicContact CG-CB 4.42Å; F267-I317 HydrophobicContact CZ-CB 4.01Å; F267-I317 HydrophobicContact CZ-CG1 3.55Å; F267-I317 HydrophobicContact CZ-CG2 4.44Å; F267-I317 PolarHBondContact N-O 2.88Å; F267-I317 PolarHBondContact O-N 3.37Å; I315-I317 HydrophobicContact CD1-CD1 4.03Å; I315-I317 HydrophobicContact CD1-CG1 4.42Å; I315-I317 HydrophobicContact CG1-CD1 4.12Å; I315-I317 HydrophobicContact CG1-CG1 4.36Å
318N91.9Very high71.5Confident15 Ų1540.7 Ų40.78%0.0826%0.255CS..  trans-143.1-177.7179.267.836.7000111W170 K266 E316 K320 G321 S322W170-N318 PolarHBondContact NE1-O 2.76Å; K266-N318 HydrophobicContact CD-CB 4.27Å; K266-N318 HydrophobicContact CG-CB 4.21Å; E316-N318 PolarHBondContact OE1-ND2 3.47Å; N318-K320 PolarHBondContact O-N 2.71Å; N318-K320 PolarHBondContact OD1-N 3.49Å; N318-K320 VanDerWaalsContact OD1-N 3.13Å; N318-G321 PolarHBondContact O-N 3.02Å; N318-G321 VanDerWaalsContact O-N 3.12Å; N318-G321 PolarHBondContact OD1-N 2.91Å; N318-S322 PolarHBondContact OD1-N 2.86Å
319E92.3Very high68.2Low12 Ų1243 Ų436%0.05628%0.281CS..THydrogen-bonded Turntrans-61-34-170.4-66.589.7161.800113.4Q173 F174 T179 M197 K266Q173-E319 WeakPolarHBondContact CA-O 3.02Å; Q173-E319 WeakPolarHBondContact CB-O 3.4Å; F174-E319 HydrophobicContact CB-CB 3.95Å; F174-E319 HydrophobicContact CB-CG 4.11Å; F174-E319 PolarHBondContact N-O 3.42Å; T179-E319 WeakPolarHBondContact CB-OE1 3.44Å; T179-E319 WeakPolarHBondContact CG2-OE1 3.41Å; T179-E319 VanDerWaalsContact OG1-CG 3.27Å; T179-E319 WeakPolarHBondContact OG1-CG 3.36Å; T179-E319 PolarHBondContact OG1-OE1 3.29Å; M197-E319 HydrophobicContact CG-CG 4.05Å; M197-E319 HydrophobicContact SD-CB 4.38Å; M197-E319 HydrophobicContact SD-CG 3.93Å; M197-E319 PolarHBondContact SD-N 3.25Å; K266-E319 IonicContact NZ-OE1 2.85Å; K266-E319 IonicContact NZ-OE2 3.22Å; K266-E319 PolarHBondContact NZ-OE2 2.8Å
320K85Confident65.1Low65 Ų6549.5 Ų49.528%0.28332%0.315SS..THydrogen-bonded Turntrans-89.4-22.1-178.6-62.1179.5-179.3175.90112.4N169 W170 N318 S322N169-K320 CarbonylContact C-O 3.45Å; N169-K320 WeakPolarHBondContact CA-O 3.26Å; N169-K320 WeakPolarHBondContact CB-O 3.43Å; W170-K320 VanDerWaalsContact CD1-C 3.48Å; W170-K320 PolarHBondContact N-O 3.3Å; N318-K320 PolarHBondContact O-N 2.71Å; N318-K320 PolarHBondContact OD1-N 3.49Å; N318-K320 VanDerWaalsContact OD1-N 3.13Å; K320-S322 WeakPolarHBondContact CB-O 3.25Å; K320-S322 VanDerWaalsContact CD-O 3.27Å; K320-S322 WeakPolarHBondContact CD-O 3.41Å; K320-S322 PolarHBondContact O-N 3.22Å
321G73.3Confident61.8Low3 Ų355.4 Ų55.43%0.03135%0.351CS..SBendtrans84.5-34.5-158.200000111.5A168 N318A168-G321 CarbonylContact O-C 3.56Å; A168-G321 WeakPolarHBondContact O-CA 3.31Å; A168-G321 VanDerWaalsContact O-O 3.12Å; N318-G321 PolarHBondContact O-N 3.02Å; N318-G321 VanDerWaalsContact O-N 3.12Å; N318-G321 PolarHBondContact OD1-N 2.91Å
322S46.4Very low58.9Low3 Ų360.2 Ų60.22%0.02138%0.375CS..SBendtrans-175.1-168.5158-145.70000115.7K167 N169 N318 K320K167-S322 WeakPolarHBondContact CD-OG 3.31Å; K167-S322 WeakPolarHBondContact CE-OG 3.24Å; K167-S322 WeakPolarHBondContact CG-OG 3.25Å; K167-S322 PolarHBondContact NZ-OG 3.37Å; N169-S322 WeakPolarHBondContact OD1-CA 3.19Å; N169-S322 PolarHBondContact OD1-N 2.9Å; N169-S322 PolarHBondContact OD1-O 2.7Å; N318-S322 PolarHBondContact OD1-N 2.86Å; K320-S322 WeakPolarHBondContact CB-O 3.25Å; K320-S322 VanDerWaalsContact CD-O 3.27Å; K320-S322 WeakPolarHBondContact CD-O 3.41Å; K320-S322 PolarHBondContact O-N 3.22Å
323E32.5Very low56Low154 Ų15467.9 Ų67.972%0.7241%0.411SS*.SBendtrans-62.9142.8-167.7-165.2174.3-174.100116.6
324A33.1Very low53.3Low69 Ų6974.8 Ų74.857%0.5745%0.453SS*.SBendtrans78.8131.3179.600000117.9
325A26.8Very low51Low80 Ų8082.6 Ų82.666%0.66149%0.49SS*.  trans-94.3141-162.400000113.3
326A28.4Very low48.9Very low73 Ų7388 Ų8860%0.60353%0.528SS*.  trans-151.7113.814800000107.3T328A326-T328 PolarHBondContact O-N 2.87Å
327A27.1Very low46.5Very low107 Ų10791.7 Ų91.788%0.88456%0.555SS**  trans-77.3108.2176.300000108.6
328T31.4Very low44.3Very low123 Ų12393.8 Ų93.876%0.75558%0.577SS**  trans-101.196.1165.6-37.40000107.1A326 L330A326-T328 PolarHBondContact O-N 2.87Å; T328-L330 PolarHBondContact O-N 3.04Å; T328-L330 VanDerWaalsContact O-N 3.12Å
329A27.4Very low42.1Very low90 Ų9098.9 Ų98.974%0.74461%0.611SS**  trans-70.9101.517200000108.4V331A329-V331 PolarHBondContact O-N 2.91Å
330L31.3Very low40.1Very low136 Ų136106.9 Ų106.971%0.71265%0.648SS**  trans-81.9101.1163-86.2158.9000107.1T328 M332T328-L330 PolarHBondContact O-N 3.04Å; T328-L330 VanDerWaalsContact O-N 3.12Å; L330-M332 PolarHBondContact O-N 3.36Å
331V29.3Very low39.3Very low125 Ų125115 Ų11576%0.75868%0.677SS**  trans-72.1104.5168.5-179.50000106.5A329 E333A329-V331 PolarHBondContact O-N 2.91Å; V331-E333 PolarHBondContact O-N 2.75Å
332M34.1Very low39.7Very low100 Ų100121.9 Ų121.949%0.49371%0.711SS.*  trans-75.6116.3166.2-71.2-175.28200107.7E202 L330 T334E202-M332 HydrophobicContact CB-CE 4.42Å; E202-M332 HydrophobicContact CB-SD 4.27Å; L330-M332 PolarHBondContact O-N 3.36Å; M332-T334 PolarHBondContact O-N 3.38Å
333E34.5Very low41.6Very low180 Ų180123.5 Ų123.584%0.84172%0.722SS**  trans-66.8122.1170.1-69-177.5162.400108.7V331 E335V331-E333 PolarHBondContact O-N 2.75Å; E333-E335 PolarHBondContact O-N 3.49Å
334T36.7Very low44.6Very low145 Ų145117.9 Ų117.989%0.8970%0.699SS**  trans-65.7109.417733.20000110.8M332M332-T334 PolarHBondContact O-N 3.38Å
335E41Very low47.7Very low185 Ų185120.8 Ų120.886%0.86470%0.695SS**  trans-81.4118.9162.4-71-166.3159.700110.4E333E333-E335 PolarHBondContact O-N 3.49Å
336S43.1Very low51.1Low116 Ų116117 Ų11781%0.81166%0.664SS**  trans44.4113.7150.9-43.30000119.6G338S336-G338 PolarHBondContact O-N 3.46Å
337V39.6Very low54.5Low143 Ų143115.2 Ų115.287%0.86764%0.644SS**  trans-61.689.6176-167.60000112.1
338G44.4Very low57.8Low46 Ų46110.1 Ų110.147%0.47460%0.601SS.*  trans-71.9168.514800000110.1S336 E340S336-G338 PolarHBondContact O-N 3.46Å; G338-E340 PolarHBondContact O-N 2.83Å; G338-E340 VanDerWaalsContact O-N 3.08Å
339P46.7Very low61Low121 Ų121106 Ų10679%0.78658%0.575SS**SBendtrans-51.4124.1178.321.9-31.7000109R341P339-R341 VanDerWaalsContact C-N 3.34Å; P339-R341 PolarHBondContact O-N 2.81Å
340E51.1Low64.4Low180 Ų180102.2 Ų102.284%0.84154%0.542SS*.  trans-47.297.3-176.4-75.6-180172.400109.3G338 I342G338-E340 PolarHBondContact O-N 2.83Å; G338-E340 VanDerWaalsContact O-N 3.08Å; E340-I342 PolarHBondContact O-N 2.85Å; E340-I342 VanDerWaalsContact O-N 3.09Å
341R66.6Low67.5Low235 Ų23595.9 Ų95.989%0.88751%0.509SS*.  trans-73.8105.1169.1-71.3-174.5176.7-173.6-0.5104.2P339 P343P339-R341 VanDerWaalsContact C-N 3.34Å; P339-R341 PolarHBondContact O-N 2.81Å; R341-P343 WeakPolarHBondContact O-CD 3.34Å; R341-P343 VanDerWaalsContact O-N 3.07Å
342I81.8Confident70.8Confident148 Ų14889.9 Ų89.976%0.75947%0.473SS*.PPolyproline II helixtrans-49.9119.7171.5-60.4172.7000106.3E340E340-I342 PolarHBondContact O-N 2.85Å; E340-I342 VanDerWaalsContact O-N 3.09Å
343P87.3Confident73.8Confident37 Ų3785.1 Ų85.124%0.2445%0.449CS..PPolyproline II helixtrans-60.6140.5-177.323.2-32.2000109.2Q259 R341Q259-P343 WeakPolarHBondContact O-CB 3.43Å; R341-P343 WeakPolarHBondContact O-CD 3.34Å; R341-P343 VanDerWaalsContact O-N 3.07Å
344P95.7Very high76.8Confident37 Ų3776.6 Ų76.624%0.2441%0.409CS..PPolyproline II helixtrans-55.1147.9170.923.7-35.1000110.5Y205 T258 Q259 V260 E261Y205-P344 HydrophobicContact CD1-CB 4.46Å; Y205-P344 HydrophobicContact CD1-CG 4.07Å; Y205-P344 HydrophobicContact CE1-CB 3.84Å; Y205-P344 HydrophobicContact CE1-CG 3.93Å; Y205-P344 HydrophobicContact CE2-CB 4.2Å; Y205-P344 HydrophobicContact CG-CG 4.47Å; T258-P344 HydrophobicContact CG2-CG 3.85Å; Q259-P344 VanDerWaalsContact O-CD 3.3Å; Q259-P344 WeakPolarHBondContact O-CD 3.17Å; V260-P344 WeakPolarHBondContact CA-O 3.36Å; V260-P344 HydrophobicContact CG1-CG 4.48Å; V260-P344 VanDerWaalsContact CG1-O 3.25Å; V260-P344 WeakPolarHBondContact CG1-O 3.33Å; V260-P344 HydrophobicContact CG2-CG 4.13Å; E261-P344 PolarHBondContact N-O 2.82Å
345R97.8Very high79.7Confident130 Ų13069.7 Ų69.749%0.49137%0.367SS..EExtended strand (participates in β ladder)trans-107.1120.7179.6-54.3175.871.8-158-0.4108.3Q212 E261 I347Q212-R345 PolarHBondContact NE2-O 2.57Å; E261-R345 HydrophobicContact CB-CG 4.31Å; E261-R345 IonicContact OE1-NH2 3.84Å; E261-R345 WeakPolarHBondContact OE2-CD 3.49Å; E261-R345 WeakPolarHBondContact OE2-CG 3.35Å; E261-R345 IonicContact OE2-CZ 2.68Å; E261-R345 IonicContact OE2-NE 3.61Å; E261-R345 PolarHBondContact OE2-NE 2.76Å; E261-R345 IonicContact OE2-NH2 2.69Å; R345-I347 HydrophobicContact CB-CD1 4.16Å; R345-I347 HydrophobicContact CB-CG1 4.23Å; R345-I347 VanDerWaalsContact NH2-CD1 3.29Å
346F98.4Very high82.3Confident0 Ų060.9 Ų60.90%033%0.326CS..EExtended strand (participates in β ladder)trans-107.594.5171.8-169.8-82.3000108.2Y205 Q212 L214 F227 L229 V260 E261 V262 R263 A348Y205-F346 HydrophobicContact CE2-CD2 4.29Å; Q212-F346 HydrophobicContact CB-CD2 3.76Å; Q212-F346 HydrophobicContact CB-CE2 3.73Å; L214-F346 HydrophobicContact CB-CD1 4.03Å; L214-F346 HydrophobicContact CB-CD2 3.71Å; L214-F346 HydrophobicContact CB-CE1 3.96Å; L214-F346 HydrophobicContact CB-CE2 3.62Å; L214-F346 HydrophobicContact CB-CG 3.91Å; L214-F346 HydrophobicContact CB-CZ 3.76Å; L214-F346 HydrophobicContact CD2-CD1 3.75Å; L214-F346 HydrophobicContact CD2-CE1 4.08Å; L214-F346 HydrophobicContact CD2-CG 4.12Å; L214-F346 HydrophobicContact CG-CD1 4.48Å; L214-F346 HydrophobicContact CG-CG 4.47Å; F227-F346 HydrophobicContact CB-CE1 3.76Å; F227-F346 HydrophobicContact CB-CZ 3.49Å; F227-F346 VanDerWaalsContact CB-CZ 3.49Å; F227-F346 HydrophobicContact CG-CE1 4.44Å; L229-F346 HydrophobicContact CB-CE1 4.22Å; L229-F346 HydrophobicContact CB-CE2 3.66Å; L229-F346 HydrophobicContact CB-CZ 3.45Å; L229-F346 VanDerWaalsContact CB-CZ 3.45Å; L229-F346 HydrophobicContact CD2-CD1 4.39Å; L229-F346 HydrophobicContact CD2-CD2 4.4Å; L229-F346 HydrophobicContact CD2-CE1 4.22Å; L229-F346 HydrophobicContact CD2-CE2 4.25Å; L229-F346 HydrophobicContact CD2-CG 4.48Å; L229-F346 HydrophobicContact CD2-CZ 4.15Å; L229-F346 HydrophobicContact CG-CZ 4.43Å; V260-F346 HydrophobicContact CG1-CB 3.79Å; E261-F346 PolarHBondContact O-N 2.71Å; V262-F346 WeakPolarHBondContact CA-O 3.35Å; R263-F346 PolarHBondContact N-O 2.93Å; F346-A348 HydrophobicContact CE1-CB 4.2Å
347I98.4Very high84.7Confident35 Ų3555.6 Ų55.618%0.17929%0.289CS..EExtended strand (participates in β ladder)trans-114.198.5-174.7-57.9176.6000108.5L229 R263 R345 D349L229-I347 VanDerWaalsContact CD2-O 3.26Å; L229-I347 WeakPolarHBondContact CD2-O 3.37Å; R263-I347 HydrophobicContact CB-CB 4.5Å; R263-I347 HydrophobicContact CB-CG1 4.36Å; R263-I347 HydrophobicContact CB-CG2 4.21Å; R263-I347 HydrophobicContact CG-CG1 4.31Å; R345-I347 HydrophobicContact CB-CD1 4.16Å; R345-I347 HydrophobicContact CB-CG1 4.23Å; R345-I347 VanDerWaalsContact NH2-CD1 3.29Å; I347-D349 HydrophobicContact CG2-CB 3.94Å; I347-D349 PolarHBondContact O-N 2.85Å
348A98.3Very high87.2Confident0 Ų048.8 Ų48.80%025%0.247CC..  trans-80.560.3-179.400000111.7F184 L229 R263 I264 P265 F346 H350 F352F184-A348 WeakPolarHBondContact CE2-O 3.49Å; L229-A348 HydrophobicContact CD1-CB 4.24Å; R263-A348 PolarHBondContact O-N 3.06Å; I264-A348 HydrophobicContact CG1-CB 4.43Å; P265-A348 VanDerWaalsContact CD-O 3.28Å; P265-A348 WeakPolarHBondContact CD-O 3.48Å; P265-A348 WeakPolarHBondContact CG-O 3.49Å; F346-A348 HydrophobicContact CE1-CB 4.2Å; A348-H350 VanDerWaalsContact C-N 3.35Å; A348-F352 HydrophobicContact CB-CD1 3.67Å; A348-F352 HydrophobicContact CB-CE1 3.74Å; A348-F352 HydrophobicContact CB-CG 4.38Å
349D98.1Very high89.4Confident38 Ų3851.8 Ų51.820%0.20324%0.244CC..  trans-90.49-179.169-3.8000114.1F184 F185 M196 I347F184-D349 CarbonylContact C-O 3.09Å; F184-D349 VanDerWaalsContact CA-O 3.27Å; F184-D349 WeakPolarHBondContact CA-O 3.38Å; F184-D349 VanDerWaalsContact CD2-C 3.45Å; F185-D349 HydrophobicContact CD2-CB 4.41Å; F185-D349 VanDerWaalsContact CD2-O 3.29Å; F185-D349 WeakPolarHBondContact CD2-O 3.3Å; F185-D349 HydrophobicContact CE2-CB 4.49Å; F185-D349 PolarHBondContact N-O 2.75Å; M196-D349 HydrophobicContact CE-CB 4.36Å; I347-D349 HydrophobicContact CG2-CB 3.94Å; I347-D349 PolarHBondContact O-N 2.85Å
350H98Very high91.4Very high10 Ų1050.1 Ų50.15%0.04623%0.233CC..SBendtrans-154.1172.3-179.363.1-91.2000109.9F184 F185 L229 P230 K233 A348 F352F184-H350 WeakPolarHBondContact CE2-O 3.48Å; F184-H350 WeakPolarHBondContact CZ-O 3.45Å; F185-H350 HydrophobicContact CB-CB 4.23Å; L229-H350 VanDerWaalsContact CD1-CE1 3.44Å; L229-H350 WeakPolarHBondContact CD1-CE1 3.18Å; L229-H350 WeakPolarHBondContact CD1-NE2 3.41Å; P230-H350 PolarHBondContact O-CE1 2.78Å; P230-H350 PolarHBondContact O-NE2 2.88Å; K233-H350 VanDerWaalsContact CA-CD2 3.47Å; K233-H350 WeakPolarHBondContact CA-CD2 3.06Å; K233-H350 HydrophobicContact CB-CB 4.23Å; K233-H350 HydrophobicContact CG-CB 4.43Å; K233-H350 WeakPolarHBondContact O-CB 3.18Å; K233-H350 PolarHBondContact O-CD2 3.41Å; A348-H350 VanDerWaalsContact C-N 3.35Å; H350-F352 WeakPolarHBondContact O-CD1 3.47Å; H350-F352 PolarHBondContact O-N 3.39Å
351P97.6Very high93.1Very high2 Ų242.8 Ų42.81%0.01320%0.202CC..  trans-53.8127.2-170.9-30.735.2000114.8F184 F185 P230 L236 Y370 Y371F184-P351 HydrophobicContact CE1-CG 4.44Å; F185-P351 WeakPolarHBondContact O-CD 3.5Å; P230-P351 WeakPolarHBondContact CD-O 3.5Å; L236-P351 HydrophobicContact CB-CB 4.22Å; L236-P351 HydrophobicContact CD2-CB 3.82Å; P351-Y370 VanDerWaalsContact CA-O 3.27Å; P351-Y370 WeakPolarHBondContact CA-O 3.31Å; P351-Y371 HydrophobicContact CB-CD1 3.6Å; P351-Y371 HydrophobicContact CB-CE1 3.56Å; P351-Y371 HydrophobicContact CB-CG 4.14Å; P351-Y371 HydrophobicContact CG-CD1 3.34Å; P351-Y371 HydrophobicContact CG-CE1 3.63Å; P351-Y371 HydrophobicContact CG-CG 4.12Å
352F97.7Very high94.2Very high0 Ų035.3 Ų35.30%017%0.174CC..EExtended strand (participates in β ladder)trans-133.2155.4179.560.3-95.5000111.5F184 F227 V228 L229 P265 F267 A348 H350 F354 D369 Y370F184-F352 HydrophobicContact CE2-CD1 4.35Å; F184-F352 HydrophobicContact CE2-CE1 4.08Å; F227-F352 AromaticContact CD1-CD2 3.94Å; F227-F352 HydrophobicContact CD1-CD2 3.94Å; F227-F352 AromaticContact CD1-CE2 3.65Å; F227-F352 HydrophobicContact CD1-CE2 3.65Å; F227-F352 HydrophobicContact CD1-CZ 4.45Å; F227-F352 AromaticContact CE1-CE2 3.97Å; F227-F352 HydrophobicContact CE1-CE2 3.97Å; V228-F352 WeakPolarHBondContact O-CB 3.43Å; L229-F352 HydrophobicContact CD1-CB 3.9Å; P265-F352 HydrophobicContact CG-CE1 4.12Å; F267-F352 HydrophobicContact CE1-CE2 4.22Å; F267-F352 AromaticContact CE1-CZ 3.82Å; F267-F352 HydrophobicContact CE1-CZ 3.82Å; F267-F352 HydrophobicContact CZ-CE2 4.39Å; F267-F352 HydrophobicContact CZ-CZ 4.41Å; A348-F352 HydrophobicContact CB-CD1 3.67Å; A348-F352 HydrophobicContact CB-CE1 3.74Å; A348-F352 HydrophobicContact CB-CG 4.38Å; H350-F352 WeakPolarHBondContact O-CD1 3.47Å; H350-F352 PolarHBondContact O-N 3.39Å; F352-F354 HydrophobicContact CD2-CB 4.45Å; F352-F354 HydrophobicContact CD2-CD1 4.36Å; F352-F354 HydrophobicContact CE2-CB 4.38Å; F352-F354 AromaticContact CE2-CD1 3.99Å; F352-F354 HydrophobicContact CE2-CD1 3.99Å; F352-D369 VanDerWaalsContact O-CA 3.24Å; F352-D369 WeakPolarHBondContact O-CA 3.36Å; F352-D369 WeakPolarHBondContact O-CB 3.41Å; F352-Y370 HydrophobicContact CD1-CD1 4.46Å; F352-Y370 AromaticContact CE1-CD1 3.55Å; F352-Y370 HydrophobicContact CE1-CD1 3.55Å; F352-Y370 HydrophobicContact CE1-CG 4.14Å; F352-Y370 AromaticContact CZ-CD1 3.75Å; F352-Y370 HydrophobicContact CZ-CD1 3.75Å; F352-Y370 AromaticContact CZ-CG 3.94Å; F352-Y370 HydrophobicContact CZ-CG 3.94Å; F352-Y370 PolarHBondContact N-O 3.42Å; F352-Y370 PolarHBondContact O-N 3.22Å
353L97.5Very high94.6Very high0 Ų028.3 Ų28.30%014%0.138CC..EExtended strand (participates in β ladder)trans-89145.3168.3177.885.2000108.7Y15 V228 L236 M240 L243 L248 I367 G368Y15-L353 HydrophobicContact CE2-CD1 4.35Å; V228-L353 HydrophobicContact CB-CB 4.16Å; V228-L353 HydrophobicContact CB-CD2 4.33Å; V228-L353 HydrophobicContact CG2-CD2 4.37Å; V228-L353 PolarHBondContact N-O 2.98Å; V228-L353 PolarHBondContact O-N 2.65Å; L236-L353 HydrophobicContact CD1-CB 4.06Å; M240-L353 HydrophobicContact CE-CD1 3.87Å; M240-L353 HydrophobicContact CE-CD2 4.41Å; M240-L353 HydrophobicContact SD-CB 4.35Å; M240-L353 HydrophobicContact SD-CD1 3.82Å; M240-L353 HydrophobicContact SD-CD2 3.89Å; M240-L353 HydrophobicContact SD-CG 4.25Å; L243-L353 HydrophobicContact CD1-CD2 4.25Å; L248-L353 HydrophobicContact CD1-CD2 4.34Å; L353-I367 HydrophobicContact CD1-CD1 4.18Å; L353-I367 HydrophobicContact CD1-CG1 3.88Å; L353-G368 CarbonylContact C-O 3.51Å; L353-G368 WeakPolarHBondContact CA-O 3.38Å; L353-G368 VanDerWaalsContact CD1-O 3.26Å; L353-G368 WeakPolarHBondContact CD1-O 3.44Å
354F96.9Very high94.9Very high0 Ų026.6 Ų26.60%013%0.127CC..EExtended strand (participates in β ladder)trans-132.4151.9167.663.7-92.7000111.4F26 M225 Y226 F227 F267 L269 I315 F352 I367 G368F26-F354 HydrophobicContact CB-CZ 4.38Å; F26-F354 AromaticContact CD2-CE2 3.42Å; F26-F354 HydrophobicContact CD2-CE2 3.42Å; F26-F354 VanDerWaalsContact CD2-CE2 3.42Å; F26-F354 AromaticContact CD2-CZ 3.68Å; F26-F354 HydrophobicContact CD2-CZ 3.68Å; F26-F354 AromaticContact CE2-CE2 3.65Å; F26-F354 HydrophobicContact CE2-CE2 3.65Å; F26-F354 HydrophobicContact CE2-CZ 4.34Å; F26-F354 HydrophobicContact CG-CE2 4.5Å; F26-F354 HydrophobicContact CG-CZ 4.42Å; M225-F354 HydrophobicContact CE-CB 3.51Å; M225-F354 HydrophobicContact CE-CD2 3.37Å; M225-F354 HydrophobicContact CE-CE2 4.2Å; M225-F354 HydrophobicContact CE-CG 3.56Å; Y226-F354 CarbonylContact O-C 3.58Å; Y226-F354 WeakPolarHBondContact O-CA 3.42Å; F227-F354 HydrophobicContact CD1-CB 4.08Å; F227-F354 HydrophobicContact CE1-CB 4.31Å; F267-F354 HydrophobicContact CE2-CE1 4.01Å; F267-F354 HydrophobicContact CE2-CZ 4.11Å; F267-F354 HydrophobicContact CZ-CD1 4.14Å; F267-F354 HydrophobicContact CZ-CE1 4.06Å; F267-F354 HydrophobicContact CZ-CZ 4.46Å; L269-F354 HydrophobicContact CD1-CE1 3.95Å; L269-F354 HydrophobicContact CD1-CZ 3.71Å; I315-F354 HydrophobicContact CD1-CE2 4.13Å; F352-F354 HydrophobicContact CD2-CB 4.45Å; F352-F354 HydrophobicContact CD2-CD1 4.36Å; F352-F354 HydrophobicContact CE2-CB 4.38Å; F352-F354 AromaticContact CE2-CD1 3.99Å; F352-F354 HydrophobicContact CE2-CD1 3.99Å; F354-I367 WeakPolarHBondContact O-CA 3.32Å; F354-G368 WeakPolarHBondContact CD1-O 3.25Å; F354-G368 VanDerWaalsContact CE1-C 3.47Å; F354-G368 PolarHBondContact N-O 3.12Å; F354-G368 PolarHBondContact O-N 3.23Å; F354-G368 VanDerWaalsContact O-O 3.12Å
355A97.4Very high94.8Very high1 Ų124.9 Ų24.91%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-145.1142.117800000110.8M225 Y226 F252 V364 F366M225-A355 CarbonylContact C-O 3.35Å; M225-A355 WeakPolarHBondContact CA-O 3.14Å; Y226-A355 PolarHBondContact N-O 3.45Å; Y226-A355 PolarHBondContact O-N 2.85Å; F252-A355 HydrophobicContact CE2-CB 4.42Å; F252-A355 HydrophobicContact CZ-CB 4Å; A355-V364 HydrophobicContact CB-CG1 4.11Å; A355-F366 CarbonylContact C-O 3.56Å; A355-F366 WeakPolarHBondContact CA-O 3.35Å
356I95.3Very high94.7Very high0 Ų018.7 Ų18.70%09%0.092CC..EExtended strand (participates in β ladder)trans-107.1124.6170.8-60.1174.6000107.8F166 Y218 L223 I224 M225 I315 V364 L365 F366F166-I356 HydrophobicContact CD1-CD1 3.56Å; F166-I356 HydrophobicContact CE1-CD1 3.45Å; F166-I356 VanDerWaalsContact CE1-CD1 3.45Å; F166-I356 HydrophobicContact CE1-CG2 4.45Å; F166-I356 HydrophobicContact CZ-CD1 4.4Å; F166-I356 HydrophobicContact CZ-CG2 4.43Å; Y218-I356 HydrophobicContact CE2-CD1 4.36Å; Y218-I356 HydrophobicContact CE2-CG1 4.41Å; Y218-I356 HydrophobicContact CE2-CG2 4.26Å; L223-I356 HydrophobicContact CD2-CG2 4.42Å; I224-I356 WeakPolarHBondContact O-CA 3.1Å; M225-I356 HydrophobicContact CB-CG1 4.25Å; M225-I356 HydrophobicContact CG-CG1 4.06Å; M225-I356 HydrophobicContact SD-CG1 4.26Å; I315-I356 HydrophobicContact CD1-CD1 3.58Å; I356-V364 CarbonylContact O-C 3.55Å; I356-L365 PolarHBondContact O-N 3.24Å; I356-F366 HydrophobicContact CB-CB 4.16Å; I356-F366 HydrophobicContact CB-CD2 4.08Å; I356-F366 HydrophobicContact CD1-CB 4.44Å; I356-F366 HydrophobicContact CD1-CD2 4.11Å; I356-F366 HydrophobicContact CG1-CB 4.44Å; I356-F366 HydrophobicContact CG2-CD2 4.44Å; I356-F366 PolarHBondContact N-O 3.38Å; I356-F366 PolarHBondContact O-N 3.19Å
357M94.3Very high94.6Very high5 Ų518.7 Ų18.73%0.0259%0.092CC..EExtended strand (participates in β ladder)trans-114.3136.1-178.3177.3172.9-78.900111.1I224 Y226 L249 F252 V363 V364I224-M357 HydrophobicContact CG2-CB 4.18Å; I224-M357 PolarHBondContact N-O 2.92Å; I224-M357 PolarHBondContact O-N 2.81Å; Y226-M357 HydrophobicContact CD2-CB 4.39Å; Y226-M357 HydrophobicContact CE2-CB 4.23Å; Y226-M357 HydrophobicContact CE2-SD 4.22Å; L249-M357 HydrophobicContact CD2-CE 3.41Å; L249-M357 VanDerWaalsContact CD2-CE 3.41Å; F252-M357 HydrophobicContact CD2-CE 3.58Å; F252-M357 HydrophobicContact CD2-SD 4.28Å; F252-M357 HydrophobicContact CE2-CE 3.93Å; M357-V363 WeakPolarHBondContact CA-O 3.46Å; M357-V364 HydrophobicContact CE-CG2 3.95Å
358D91.9Very high94.4Very high0 Ų017 Ų170%08%0.083CC..EExtended strand (participates in β ladder)trans-82.1112.3159.3177.363.7000109.3Y78 L223 P360 S361 R362 V363 L365Y78-D358 VanDerWaalsContact OH-CB 3.31Å; Y78-D358 WeakPolarHBondContact OH-CB 3.48Å; Y78-D358 PolarHBondContact OH-OD1 3.02Å; L223-D358 HydrophobicContact CD2-CB 4.34Å; D358-P360 WeakPolarHBondContact OD1-CD 3.17Å; D358-S361 VanDerWaalsContact OD2-CB 3.25Å; D358-S361 WeakPolarHBondContact OD2-CB 3.44Å; D358-S361 PolarHBondContact OD2-N 2.85Å; D358-S361 PolarHBondContact OD2-OG 2.63Å; D358-R362 WeakPolarHBondContact O-CA 3.42Å; D358-R362 PolarHBondContact O-N 2.88Å; D358-V363 HydrophobicContact CB-CG2 4.11Å; D358-V363 PolarHBondContact N-O 3.12Å; D358-V363 PolarHBondContact O-N 2.85Å; D358-L365 HydrophobicContact CB-CD1 4.15Å; D358-L365 HydrophobicContact CB-CG 4.27Å
359R90.6Very high94.3Very high109 Ų10917 Ų1741%0.4118%0.084SC..THydrogen-bonded Turntrans-64.4-45.1-176.5-57.7-164.9-66.3179.31.3113.1D221 K222 I224 S361 R362D221-R359 PolarHBondContact O-NE 3.43Å; D221-R359 PolarHBondContact O-NH2 3.34Å; K222-R359 PolarHBondContact O-N 2.75Å; I224-R359 HydrophobicContact CB-CG 4.47Å; I224-R359 HydrophobicContact CG2-CG 3.69Å; R359-S361 PolarHBondContact O-N 2.8Å; R359-R362 WeakPolarHBondContact O-CG 3.28Å; R359-R362 PolarHBondContact O-N 3.13Å
360P88Confident94.2Very high86 Ų8615.5 Ų15.556%0.5588%0.075SC*.THydrogen-bonded Turntrans-55.8-47.2178-28.334.6000114.6K222 D358K222-P360 HydrophobicContact CB-CG 4.07Å; K222-P360 HydrophobicContact CD-CG 4.17Å; K222-P360 HydrophobicContact CG-CG 3.85Å; D358-P360 WeakPolarHBondContact OD1-CD 3.17Å
361S86.7Confident94Very high26 Ų2616 Ų1618%0.1828%0.077CC..THydrogen-bonded Turntrans-92-7179.865.80000113.8D358 R359 V363D358-S361 VanDerWaalsContact OD2-CB 3.25Å; D358-S361 WeakPolarHBondContact OD2-CB 3.44Å; D358-S361 PolarHBondContact OD2-N 2.85Å; D358-S361 PolarHBondContact OD2-OG 2.63Å; R359-S361 PolarHBondContact O-N 2.8Å; S361-V363 PolarHBondContact O-N 3.05Å; S361-V363 VanDerWaalsContact OG-CG2 3.3Å; S361-V363 WeakPolarHBondContact OG-CG2 3.39Å
362R89.9Confident93.7Very high78 Ų7816.3 Ų16.329%0.2948%0.081SC..THydrogen-bonded Turntrans53.733-176.7-63.1-179.464.786.89.5113.2D4 D253 D358 R359D4-R362 HydrophobicContact CB-CB 3.62Å; D4-R362 WeakPolarHBondContact CB-O 3.26Å; D4-R362 IonicContact OD2-NE 2.85Å; D4-R362 PolarHBondContact OD2-NE 3.06Å; D253-R362 IonicContact OD1-CZ 2.99Å; D253-R362 VanDerWaalsContact OD1-CZ 3.29Å; D253-R362 IonicContact OD1-NH1 3.19Å; D253-R362 PolarHBondContact OD1-NH1 2.75Å; D253-R362 IonicContact OD1-NH2 2.89Å; D253-R362 PolarHBondContact OD1-NH2 2.98Å; D253-R362 IonicContact OD2-CZ 2.71Å; D253-R362 IonicContact OD2-NH1 2.75Å; D253-R362 IonicContact OD2-NH2 2.93Å; D253-R362 PolarHBondContact OD2-NH2 2.87Å; D358-R362 WeakPolarHBondContact O-CA 3.42Å; D358-R362 PolarHBondContact O-N 2.88Å; R359-R362 WeakPolarHBondContact O-CG 3.28Å; R359-R362 PolarHBondContact O-N 3.13Å
363V91.1Very high92.9Very high0 Ų018.9 Ų18.90%010%0.095CC..EExtended strand (participates in β ladder)trans-98.3139177.6-55.30000111.1L3 F30 M357 D358 S361 L365L3-V363 HydrophobicContact CD2-CG1 4.3Å; F30-V363 HydrophobicContact CD2-CB 3.87Å; F30-V363 HydrophobicContact CD2-CG1 3.99Å; F30-V363 HydrophobicContact CD2-CG2 3.87Å; F30-V363 HydrophobicContact CE2-CB 4.35Å; F30-V363 HydrophobicContact CE2-CG1 4.03Å; F30-V363 HydrophobicContact CE2-CG2 4.24Å; F30-V363 HydrophobicContact CG-CB 4.5Å; F30-V363 HydrophobicContact CG-CG2 4.17Å; M357-V363 WeakPolarHBondContact CA-O 3.46Å; D358-V363 HydrophobicContact CB-CG2 4.11Å; D358-V363 PolarHBondContact N-O 3.12Å; D358-V363 PolarHBondContact O-N 2.85Å; S361-V363 PolarHBondContact O-N 3.05Å; S361-V363 VanDerWaalsContact OG-CG2 3.3Å; S361-V363 WeakPolarHBondContact OG-CG2 3.39Å; V363-L365 HydrophobicContact CG2-CD2 3.71Å; V363-L365 HydrophobicContact CG2-CG 4.25Å; V363-L365 PolarHBondContact O-N 3.31Å
364V94Very high91.1Very high2 Ų221 Ų211%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-77.699.6168.5178.30000108.1T8 A355 I356 M357 F366 I367T8-V364 HydrophobicContact CG2-CG2 4.13Å; A355-V364 HydrophobicContact CB-CG1 4.11Å; I356-V364 CarbonylContact O-C 3.55Å; M357-V364 HydrophobicContact CE-CG2 3.95Å; V364-F366 VanDerWaalsContact C-N 3.35Å; V364-F366 WeakPolarHBondContact CG1-O 3.41Å; V364-I367 HydrophobicContact CG1-CB 4.09Å
365L93Very high89Confident0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-66.8-42177.6-67.4-179.8000110.8S28 F30 L76 Y78 L223 I356 D358 V363S28-L365 WeakPolarHBondContact CA-O 3.5Å; S28-L365 WeakPolarHBondContact CB-O 3.35Å; S28-L365 PolarHBondContact OG-O 2.87Å; F30-L365 HydrophobicContact CB-CD2 4.23Å; F30-L365 HydrophobicContact CD1-CD2 3.93Å; F30-L365 HydrophobicContact CG-CD2 4.14Å; L76-L365 HydrophobicContact CD1-CD2 3.81Å; L76-L365 HydrophobicContact CD2-CD1 4.27Å; L76-L365 HydrophobicContact CD2-CD2 3.59Å; L76-L365 HydrophobicContact CG-CD2 4.38Å; Y78-L365 HydrophobicContact CE2-CD1 4.23Å; L223-L365 HydrophobicContact CD2-CD1 3.64Å; I356-L365 PolarHBondContact O-N 3.24Å; D358-L365 HydrophobicContact CB-CD1 4.15Å; D358-L365 HydrophobicContact CB-CG 4.27Å; V363-L365 HydrophobicContact CG2-CD2 3.71Å; V363-L365 HydrophobicContact CG2-CG 4.25Å; V363-L365 PolarHBondContact O-N 3.31Å
366F94.8Very high86Confident0 Ų035.5 Ų35.50%020%0.204CC..EExtended strand (participates in β ladder)trans-138147.3-178.8-62.7-85.8000111.3F26 I27 L86 I164 F166 A355 I356 V364F26-F366 HydrophobicContact CD2-CB 4.48Å; F26-F366 AromaticContact CE1-CD1 3.59Å; F26-F366 HydrophobicContact CE1-CD1 3.59Å; F26-F366 AromaticContact CE1-CE1 3.91Å; F26-F366 HydrophobicContact CE1-CE1 3.91Å; F26-F366 HydrophobicContact CE1-CG 4.49Å; F26-F366 HydrophobicContact CE2-CB 3.42Å; F26-F366 VanDerWaalsContact CE2-CB 3.42Å; F26-F366 AromaticContact CE2-CD1 3.7Å; F26-F366 HydrophobicContact CE2-CD1 3.7Å; F26-F366 AromaticContact CE2-CG 3.86Å; F26-F366 HydrophobicContact CE2-CG 3.86Å; F26-F366 HydrophobicContact CZ-CB 3.63Å; F26-F366 AromaticContact CZ-CD1 2.97Å; F26-F366 HydrophobicContact CZ-CD1 2.97Å; F26-F366 AromaticContact CZ-CE1 3.61Å; F26-F366 HydrophobicContact CZ-CE1 3.61Å; F26-F366 AromaticContact CZ-CG 3.49Å; F26-F366 HydrophobicContact CZ-CG 3.49Å; F26-F366 VanDerWaalsContact CZ-CG 3.49Å; I27-F366 WeakPolarHBondContact O-CA 3.22Å; L86-F366 HydrophobicContact CD1-CE2 4.22Å; L86-F366 HydrophobicContact CD1-CZ 4.28Å; I164-F366 HydrophobicContact CD1-CE1 3.93Å; I164-F366 HydrophobicContact CD1-CE2 4.11Å; I164-F366 HydrophobicContact CD1-CZ 3.44Å; I164-F366 VanDerWaalsContact CD1-CZ 3.44Å; I164-F366 HydrophobicContact CG1-CE1 4.15Å; I164-F366 HydrophobicContact CG1-CZ 3.7Å; I164-F366 HydrophobicContact CG2-CE1 3.8Å; I164-F366 HydrophobicContact CG2-CZ 4.26Å; F166-F366 HydrophobicContact CB-CD2 4.39Å; F166-F366 HydrophobicContact CB-CE1 4.33Å; F166-F366 HydrophobicContact CB-CE2 3.39Å; F166-F366 HydrophobicContact CB-CZ 3.33Å; F166-F366 HydrophobicContact CD1-CE2 4.3Å; F166-F366 HydrophobicContact CD2-CE2 4.25Å; F166-F366 HydrophobicContact CG-CD2 4.48Å; F166-F366 AromaticContact CG-CE2 3.72Å; F166-F366 HydrophobicContact CG-CE2 3.72Å; F166-F366 HydrophobicContact CG-CZ 4.19Å; A355-F366 CarbonylContact C-O 3.56Å; A355-F366 WeakPolarHBondContact CA-O 3.35Å; I356-F366 HydrophobicContact CB-CB 4.16Å; I356-F366 HydrophobicContact CB-CD2 4.08Å; I356-F366 HydrophobicContact CD1-CB 4.44Å; I356-F366 HydrophobicContact CD1-CD2 4.11Å; I356-F366 HydrophobicContact CG1-CB 4.44Å; I356-F366 HydrophobicContact CG2-CD2 4.44Å; I356-F366 PolarHBondContact N-O 3.38Å; I356-F366 PolarHBondContact O-N 3.19Å; V364-F366 VanDerWaalsContact C-N 3.35Å; V364-F366 WeakPolarHBondContact CG1-O 3.41Å
367I96.3Very high85.5Confident0 Ų037.3 Ų37.30%021%0.214CC..EExtended strand (participates in β ladder)trans-143.2142.7174.2-163.7168.7000109.4L12 I27 P29 L353 F354 V364L12-I367 HydrophobicContact CD2-CD1 3.95Å; I27-I367 HydrophobicContact CD1-CG2 4.44Å; I27-I367 HydrophobicContact CG1-CG2 4Å; I27-I367 PolarHBondContact N-O 2.94Å; I27-I367 PolarHBondContact O-N 3.01Å; P29-I367 HydrophobicContact CG-CB 4.35Å; P29-I367 HydrophobicContact CG-CG2 3.42Å; P29-I367 VanDerWaalsContact CG-CG2 3.42Å; L353-I367 HydrophobicContact CD1-CD1 4.18Å; L353-I367 HydrophobicContact CD1-CG1 3.88Å; F354-I367 WeakPolarHBondContact O-CA 3.32Å; V364-I367 HydrophobicContact CG1-CB 4.09Å
368G95.4Very high85.1Confident0 Ų039 Ų390%022%0.224CC..EExtended strand (participates in β ladder)trans-169.3175.2177.700000112.3F25 L353 F354F25-G368 CarbonylContact O-C 3.52Å; F25-G368 WeakPolarHBondContact O-CA 3.48Å; L353-G368 CarbonylContact C-O 3.51Å; L353-G368 WeakPolarHBondContact CA-O 3.38Å; L353-G368 VanDerWaalsContact CD1-O 3.26Å; L353-G368 WeakPolarHBondContact CD1-O 3.44Å; F354-G368 WeakPolarHBondContact CD1-O 3.25Å; F354-G368 VanDerWaalsContact CE1-C 3.47Å; F354-G368 PolarHBondContact N-O 3.12Å; F354-G368 PolarHBondContact O-N 3.23Å; F354-G368 VanDerWaalsContact O-O 3.12Å
369D95.5Very high84.7Confident1 Ų141.2 Ų41.21%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-128.4158.3171.454.931000110.5Y15 S24 F25 L236 F352 Y371Y15-D369 WeakPolarHBondContact CE2-OD2 3.35Å; Y15-D369 PolarHBondContact OH-OD2 3.29Å; S24-D369 WeakPolarHBondContact CA-O 3.35Å; S24-D369 WeakPolarHBondContact CA-OD1 3.49Å; S24-D369 WeakPolarHBondContact CB-O 3.42Å; F25-D369 WeakPolarHBondContact CB-OD1 3.4Å; F25-D369 PolarHBondContact N-O 2.84Å; F25-D369 PolarHBondContact N-OD1 3.01Å; F25-D369 PolarHBondContact O-N 3.37Å; L236-D369 HydrophobicContact CD2-CB 3.91Å; F352-D369 VanDerWaalsContact O-CA 3.24Å; F352-D369 WeakPolarHBondContact O-CA 3.36Å; F352-D369 WeakPolarHBondContact O-CB 3.41Å; D369-Y371 HydrophobicContact CB-CD2 4.35Å; D369-Y371 HydrophobicContact CB-CE2 4.07Å; D369-Y371 WeakPolarHBondContact OD2-CE2 3.3Å
370Y95.7Very high84.3Confident6 Ų637.2 Ų37.22%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-122.5117.7177-178.5-106.4000109.4F184 P265 F267 P351 F352 A374F184-Y370 HydrophobicContact CD2-CD1 4.44Å; F184-Y370 HydrophobicContact CD2-CE1 4.01Å; F184-Y370 HydrophobicContact CE1-CD1 4.36Å; F184-Y370 HydrophobicContact CE1-CE1 4.31Å; F184-Y370 AromaticContact CE2-CD1 3.64Å; F184-Y370 HydrophobicContact CE2-CD1 3.64Å; F184-Y370 AromaticContact CE2-CE1 3.67Å; F184-Y370 HydrophobicContact CE2-CE1 3.67Å; F184-Y370 HydrophobicContact CG-CE1 4.46Å; F184-Y370 AromaticContact CZ-CD1 3.58Å; F184-Y370 HydrophobicContact CZ-CD1 3.58Å; F184-Y370 AromaticContact CZ-CE1 3.81Å; F184-Y370 HydrophobicContact CZ-CE1 3.81Å; P265-Y370 HydrophobicContact CB-CD1 4.36Å; P265-Y370 HydrophobicContact CB-CE1 3.65Å; P265-Y370 HydrophobicContact CG-CD1 4.21Å; P265-Y370 HydrophobicContact CG-CE1 3.76Å; F267-Y370 HydrophobicContact CB-CD2 3.92Å; F267-Y370 HydrophobicContact CB-CE2 3.39Å; F267-Y370 AromaticContact CD1-CD2 4Å; F267-Y370 HydrophobicContact CD1-CD2 4Å; F267-Y370 HydrophobicContact CD1-CE2 4.12Å; F267-Y370 HydrophobicContact CD1-CG 4.19Å; F267-Y370 HydrophobicContact CD2-CD2 4.04Å; F267-Y370 HydrophobicContact CD2-CE2 4.38Å; F267-Y370 HydrophobicContact CE1-CG 4.43Å; F267-Y370 AromaticContact CG-CD2 3.72Å; F267-Y370 HydrophobicContact CG-CD2 3.72Å; F267-Y370 AromaticContact CG-CE2 3.73Å; F267-Y370 HydrophobicContact CG-CE2 3.73Å; F267-Y370 HydrophobicContact CG-CG 4.36Å; P351-Y370 VanDerWaalsContact CA-O 3.27Å; P351-Y370 WeakPolarHBondContact CA-O 3.31Å; F352-Y370 HydrophobicContact CD1-CD1 4.46Å; F352-Y370 AromaticContact CE1-CD1 3.55Å; F352-Y370 HydrophobicContact CE1-CD1 3.55Å; F352-Y370 HydrophobicContact CE1-CG 4.14Å; F352-Y370 AromaticContact CZ-CD1 3.75Å; F352-Y370 HydrophobicContact CZ-CD1 3.75Å; F352-Y370 AromaticContact CZ-CG 3.94Å; F352-Y370 HydrophobicContact CZ-CG 3.94Å; F352-Y370 PolarHBondContact N-O 3.42Å; F352-Y370 PolarHBondContact O-N 3.22Å; Y370-A374 HydrophobicContact CE2-CB 4.36Å
371Y94.8Very high84.1Confident19 Ų1934.1 Ų34.18%0.07521%0.205CC..  trans-108.622.8176.6-79.2-92.6000111.7N22 S24 F184 V186 L236 P351 D369 N373N22-Y371 HydrophobicContact CB-CD1 4.22Å; N22-Y371 HydrophobicContact CB-CE1 4.27Å; S24-Y371 PolarHBondContact OG-N 3.09Å; F184-Y371 VanDerWaalsContact CE1-C 3.47Å; V186-Y371 WeakPolarHBondContact CG1-O 3.43Å; V186-Y371 WeakPolarHBondContact CG2-O 3.5Å; L236-Y371 HydrophobicContact CD2-CE2 4.01Å; P351-Y371 HydrophobicContact CB-CD1 3.6Å; P351-Y371 HydrophobicContact CB-CE1 3.56Å; P351-Y371 HydrophobicContact CB-CG 4.14Å; P351-Y371 HydrophobicContact CG-CD1 3.34Å; P351-Y371 HydrophobicContact CG-CE1 3.63Å; P351-Y371 HydrophobicContact CG-CG 4.12Å; D369-Y371 HydrophobicContact CB-CD2 4.35Å; D369-Y371 HydrophobicContact CB-CE2 4.07Å; D369-Y371 WeakPolarHBondContact OD2-CE2 3.3Å; Y371-N373 PolarHBondContact O-N 2.74Å
372G90.9Very high83.9Confident10 Ų1034.7 Ų34.710%0.10321%0.207CC..SBendtrans77.2-18.7-17700000114.6F184 A374F184-G372 VanDerWaalsContact CE1-N 3.34Å; G372-A374 PolarHBondContact O-N 2.91Å
373N80.5Confident83.5Confident54 Ų5431.6 Ų31.629%0.28920%0.201SC..  trans-86.4100.7175.8-62.7-26.8000108.7S24 K192 Y371S24-N373 WeakPolarHBondContact CB-O 3.33Å; S24-N373 PolarHBondContact OG-O 3.4Å; K192-N373 PolarHBondContact NZ-OD1 3.08Å; Y371-N373 PolarHBondContact O-N 2.74Å
374A61.1Low82.9Confident45 Ų4534 Ų3437%0.37222%0.216SC..  trans-109.4147.9169.900000109.4K268 L269 Y370 G372 A376K268-A374 WeakPolarHBondContact O-CB 3.46Å; L269-A374 HydrophobicContact CD2-CB 4.35Å; Y370-A374 HydrophobicContact CE2-CB 4.36Å; G372-A374 PolarHBondContact O-N 2.91Å; A374-A376 PolarHBondContact O-N 3.19Å
375F51.8Low82Confident152 Ų15236.7 Ų36.767%0.66723%0.233SC*.  trans-65.2127.8164.3-76-82.9000108.1
376A34.1Very low81Confident153 Ų15340 Ų40100%1.26425%0.254SS*.  trans-67.40175.600000111.3A374A374-A376 PolarHBondContact O-N 3.19Å

Retrieved 376 of 376 residues in 112.9 ms (Link to these results)

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