A0A077ZJA5_TRITR Loading...

2-Hacid dh and 2-Hacid dh C domain containing pro tein

AlphaFold DB , UniProt , Accession A0A077ZJA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 329 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
1M95.9Very high97.6Very high34 Ų3433.7 Ų33.717%0.16716%0.155CC..  0145.30168.3168.447.600112.9F25 E26 E46 A47 Y71 L315 E319M1-F25 HydrophobicContact CB-CD1 3.98Å; M1-F25 HydrophobicContact CB-CE1 4.17Å; M1-F25 HydrophobicContact CE-CD1 3.91Å; M1-F25 HydrophobicContact CE-CE1 3.33Å; M1-F25 HydrophobicContact CE-CE2 4.15Å; M1-F25 HydrophobicContact CE-CZ 3.45Å; M1-F25 VanDerWaalsContact CE-CZ 3.45Å; M1-E26 PolarHBondContact O-N 3.3Å; M1-E46 HydrophobicContact CG-CB 4.2Å; M1-A47 HydrophobicContact CG-CB 4.38Å; M1-A47 HydrophobicContact SD-CB 3.71Å; M1-Y71 HydrophobicContact SD-CD2 3.73Å; M1-Y71 HydrophobicContact SD-CE2 4.01Å; M1-L315 HydrophobicContact CE-CB 3.77Å; M1-E319 WeakPolarHBondContact CA-OE1 3.33Å; M1-E319 HydrophobicContact CB-CG 4.45Å; M1-E319 WeakPolarHBondContact CB-OE1 3.47Å; M1-E319 HydrophobicContact CE-CB 3.88Å; M1-E319 HydrophobicContact CE-CG 4.38Å; M1-E319 PolarHBondContact N-OE1 2.77Å
2K98.3Very high97.6Very high49 Ų4931.8 Ų31.821%0.21315%0.147CC..EExtended strand (participates in β ladder)trans-102.8134169.6-173.8177-177.81720110.7E26 E28 E46 A47K2-E26 CarbonylContact C-O 3.59Å; K2-E26 WeakPolarHBondContact CA-O 3.33Å; K2-E26 HydrophobicContact CB-CB 4.21Å; K2-E26 HydrophobicContact CD-CG 4.35Å; K2-E26 WeakPolarHBondContact CD-OE1 3.43Å; K2-E26 WeakPolarHBondContact CE-OE1 3.5Å; K2-E26 HydrophobicContact CG-CB 4.04Å; K2-E26 HydrophobicContact CG-CG 4.06Å; K2-E26 IonicContact NZ-OE1 2.64Å; K2-E26 PolarHBondContact NZ-OE1 3.39Å; K2-E26 VanDerWaalsContact NZ-OE1 3.13Å; K2-E28 WeakPolarHBondContact CE-OE2 3.42Å; K2-E28 IonicContact NZ-OE2 3.6Å; K2-E28 PolarHBondContact NZ-OE2 2.96Å; K2-E46 PolarHBondContact O-N 2.85Å; K2-A47 PolarHBondContact O-N 3.4Å
3L98.7Very high97.6Very high0 Ų035.1 Ų35.10%016%0.161CC..EExtended strand (participates in β ladder)trans-122.9120.1-173177.764.1000111.3V5 E26 L27 E28 A47 C49 L312 L315L3-V5 HydrophobicContact CD2-CG2 4.24Å; L3-V5 HydrophobicContact CG-CG2 4.14Å; L3-E26 PolarHBondContact N-O 2.82Å; L3-L27 HydrophobicContact CB-CD2 4.03Å; L3-L27 HydrophobicContact CD2-CD2 3.86Å; L3-L27 HydrophobicContact CG-CD2 4.4Å; L3-E28 PolarHBondContact O-N 3.08Å; L3-A47 HydrophobicContact CD1-CB 3.55Å; L3-C49 HydrophobicContact CD1-CB 3.93Å; L3-C49 HydrophobicContact CD2-CB 4.19Å; L3-C49 HydrophobicContact CG-CB 4.26Å; L3-L312 HydrophobicContact CD2-CD2 4.04Å; L3-L315 HydrophobicContact CD1-CD1 3.7Å; L3-L315 HydrophobicContact CD2-CD1 3.6Å; L3-L315 HydrophobicContact CG-CD1 4.27Å
4A98.8Very high97.7Very high0 Ų041.3 Ų41.30%019%0.187CC..EExtended strand (participates in β ladder)trans-90.4121.9170.300000110.8Y6 E28 F30 C45 A47 V48 C49A4-Y6 HydrophobicContact CB-CE2 3.86Å; A4-E28 CarbonylContact C-O 3.52Å; A4-E28 WeakPolarHBondContact CA-O 3.4Å; A4-F30 HydrophobicContact CB-CD2 4.27Å; A4-F30 HydrophobicContact CB-CE2 3.83Å; A4-C45 HydrophobicContact CB-CB 4.13Å; A4-A47 PolarHBondContact N-O 2.95Å; A4-A47 VanDerWaalsContact N-O 3.08Å; A4-V48 HydrophobicContact CB-CG1 4.34Å; A4-V48 CarbonylContact O-C 3.56Å; A4-V48 VanDerWaalsContact O-CA 3.24Å; A4-V48 WeakPolarHBondContact O-CA 3.38Å; A4-C49 PolarHBondContact O-N 3.46Å
5V98.8Very high97.7Very high0 Ų040.6 Ų40.60%018%0.183CC..EExtended strand (participates in β ladder)trans-105.8117-179.4-170.50000109.2L3 T8 L16 E28 F29 F30 C49L3-V5 HydrophobicContact CD2-CG2 4.24Å; L3-V5 HydrophobicContact CG-CG2 4.14Å; V5-T8 PolarHBondContact O-OG1 3.36Å; V5-L16 HydrophobicContact CG1-CD1 3.95Å; V5-L16 HydrophobicContact CG2-CD1 4.25Å; V5-E28 PolarHBondContact N-O 3.29Å; V5-F29 HydrophobicContact CB-CD1 3.72Å; V5-F29 HydrophobicContact CB-CE1 4.1Å; V5-F29 HydrophobicContact CG1-CD1 4.09Å; V5-F29 HydrophobicContact CG1-CE1 4.29Å; V5-F29 HydrophobicContact CG2-CD1 3.93Å; V5-F29 HydrophobicContact CG2-CE1 3.86Å; V5-F30 PolarHBondContact O-N 2.9Å; V5-C49 WeakPolarHBondContact CA-O 3.44Å; V5-C49 HydrophobicContact CB-CB 4.36Å; V5-C49 HydrophobicContact CG1-CB 4.14Å; V5-C49 HydrophobicContact CG2-CB 4.08Å
6Y98.6Very high97.8Very high0 Ų038.3 Ų38.30%017%0.172CC..  trans-97.7161.6-179.5-67.6-91.8000111.9A4 T8 F30 F32 L34 T41 A42 V48 C49 I50 R75A4-Y6 HydrophobicContact CB-CE2 3.86Å; Y6-T8 PolarHBondContact O-N 3.47Å; Y6-F30 CarbonylContact C-O 3.57Å; Y6-F30 HydrophobicContact CD1-CB 4.28Å; Y6-F30 HydrophobicContact CD1-CD2 4.25Å; Y6-F30 AromaticContact CE1-CD2 3.92Å; Y6-F30 HydrophobicContact CE1-CD2 3.92Å; Y6-F32 HydrophobicContact CD1-CD2 4.31Å; Y6-F32 HydrophobicContact CD1-CE2 4.07Å; Y6-F32 HydrophobicContact CE1-CD2 4.5Å; Y6-F32 AromaticContact CE1-CE2 3.86Å; Y6-F32 HydrophobicContact CE1-CE2 3.86Å; Y6-L34 HydrophobicContact CD1-CB 3.8Å; Y6-L34 HydrophobicContact CD1-CD1 4.26Å; Y6-L34 HydrophobicContact CD2-CB 4.18Å; Y6-L34 HydrophobicContact CD2-CD1 4.43Å; Y6-L34 HydrophobicContact CE1-CB 4.32Å; Y6-L34 HydrophobicContact CE1-CD1 3.9Å; Y6-L34 HydrophobicContact CE2-CD1 4.1Å; Y6-L34 HydrophobicContact CG-CB 3.72Å; Y6-T41 WeakPolarHBondContact CE1-OG1 3.33Å; Y6-T41 PolarHBondContact OH-OG1 3.44Å; Y6-A42 WeakPolarHBondContact OH-CB 3.45Å; Y6-A42 PolarHBondContact OH-N 3.24Å; Y6-A42 VanDerWaalsContact OH-N 3.09Å; Y6-V48 HydrophobicContact CD2-CB 4.32Å; Y6-V48 HydrophobicContact CE2-CB 4.05Å; Y6-V48 HydrophobicContact CE2-CG1 3.8Å; Y6-C49 PolarHBondContact N-O 3.39Å; Y6-I50 HydrophobicContact CD2-CG2 4.33Å; Y6-R75 VanDerWaalsContact O-CZ 3.29Å; Y6-R75 PolarHBondContact O-NH1 3.4Å; Y6-R75 PolarHBondContact O-NH2 3.34Å
7S97Very high97.8Very high9 Ų941.5 Ų41.56%0.06319%0.188CC..SBendtrans5433.8-178-650000113K9 F30 F32 L33 D54 R75S7-K9 PolarHBondContact O-N 3.27Å; S7-F30 PolarHBondContact N-O 2.92Å; S7-F32 PolarHBondContact N-O 2.85Å; S7-L33 VanDerWaalsContact OG-CD2 3.25Å; S7-L33 WeakPolarHBondContact OG-CD2 3.44Å; S7-D54 VanDerWaalsContact OG-CG 3.28Å; S7-D54 PolarHBondContact OG-OD1 3.11Å; S7-D54 PolarHBondContact OG-OD2 2.91Å; S7-R75 PolarHBondContact O-NH2 3Å
8T97.5Very high97.8Very high15 Ų1544.6 Ų44.69%0.09220%0.203CC..  trans-68.9123.3-172.4-60.10000110.6V5 Y6 D12 K13 F29 F30V5-T8 PolarHBondContact O-OG1 3.36Å; Y6-T8 PolarHBondContact O-N 3.47Å; T8-D12 HydrophobicContact CG2-CB 4.23Å; T8-K13 HydrophobicContact CG2-CB 3.96Å; T8-F29 HydrophobicContact CG2-CB 4.06Å; T8-F29 HydrophobicContact CG2-CD1 3.56Å; T8-F29 HydrophobicContact CG2-CE1 4.41Å; T8-F29 HydrophobicContact CG2-CG 4.16Å; T8-F30 WeakPolarHBondContact CB-O 3.42Å; T8-F30 PolarHBondContact N-O 3.28Å; T8-F30 PolarHBondContact OG1-O 3.41Å
9K96.2Very high97.9Very high47 Ų4742.9 Ų42.920%0.20420%0.196CC..  trans-97.7166.1162.1-56.3-55.2-169.9-117.30110.5S7 Y11 D12 K13 F268 E269S7-K9 PolarHBondContact O-N 3.27Å; K9-Y11 HydrophobicContact CB-CD1 3.8Å; K9-Y11 HydrophobicContact CB-CD2 4.35Å; K9-Y11 HydrophobicContact CB-CE1 3.34Å; K9-Y11 HydrophobicContact CB-CE2 3.93Å; K9-Y11 HydrophobicContact CB-CG 4.28Å; K9-Y11 VanDerWaalsContact CB-CZ 3.42Å; K9-Y11 HydrophobicContact CG-CE1 3.8Å; K9-Y11 HydrophobicContact CG-CE2 4.4Å; K9-Y11 WeakPolarHBondContact CG-OH 3.41Å; K9-Y11 PolarHBondContact O-N 3.32Å; K9-D12 WeakPolarHBondContact CB-OD2 3.45Å; K9-D12 PolarHBondContact N-OD2 2.95Å; K9-D12 WeakPolarHBondContact O-CB 3.28Å; K9-D12 PolarHBondContact O-N 3.06Å; K9-D12 VanDerWaalsContact O-N 3.08Å; K9-K13 PolarHBondContact O-N 3.07Å; K9-K13 VanDerWaalsContact O-N 3.11Å; K9-F268 WeakPolarHBondContact CE-O 3.16Å; K9-F268 PolarHBondContact NZ-O 3.14Å; K9-E269 IonicContact NZ-OE1 3.24Å; K9-E269 PolarHBondContact NZ-OE1 3.2Å; K9-E269 IonicContact NZ-OE2 3.52Å
10Q97.1Very high97.9Very high155 Ų15541.8 Ų41.872%0.72419%0.191SC*.Hα-helixtrans-60.8-33.9-177.9-67.6-58.8-38.200112.9K14Q10-K14 WeakPolarHBondContact O-CB 3.41Å; Q10-K14 PolarHBondContact O-N 3.32Å
11Y97.1Very high97.9Very high62 Ų6247.8 Ų47.824%0.24322%0.22CC..Hα-helixtrans-67.5-40.917556.2-103.4000111.7K9 K13 K14 Y15 L299 L304K9-Y11 HydrophobicContact CB-CD1 3.8Å; K9-Y11 HydrophobicContact CB-CD2 4.35Å; K9-Y11 HydrophobicContact CB-CE1 3.34Å; K9-Y11 HydrophobicContact CB-CE2 3.93Å; K9-Y11 HydrophobicContact CB-CG 4.28Å; K9-Y11 VanDerWaalsContact CB-CZ 3.42Å; K9-Y11 HydrophobicContact CG-CE1 3.8Å; K9-Y11 HydrophobicContact CG-CE2 4.4Å; K9-Y11 WeakPolarHBondContact CG-OH 3.41Å; K9-Y11 PolarHBondContact O-N 3.32Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.27Å; Y11-K14 PolarHBondContact O-N 2.89Å; Y11-Y15 WeakPolarHBondContact O-CD2 3.36Å; Y11-Y15 PolarHBondContact O-N 3.04Å; Y11-Y15 VanDerWaalsContact O-N 3.13Å; Y11-L299 HydrophobicContact CD1-CD1 4.23Å; Y11-L299 HydrophobicContact CD2-CD1 3.95Å; Y11-L299 HydrophobicContact CE1-CD1 4.16Å; Y11-L299 HydrophobicContact CE2-CD1 3.92Å; Y11-L299 HydrophobicContact CG-CD1 4.13Å; Y11-L304 HydrophobicContact CD2-CD1 4.28Å; Y11-L304 HydrophobicContact CD2-CD2 4.05Å; Y11-L304 HydrophobicContact CG-CD1 4.46Å
12D97.5Very high98Very high10 Ų1051.4 Ų51.45%0.05325%0.248CC..Hα-helixtrans-57.5-50.8175.8-63-59.5000109.8T8 K9 K14 Y15 L16 R75T8-D12 HydrophobicContact CG2-CB 4.23Å; K9-D12 WeakPolarHBondContact CB-OD2 3.45Å; K9-D12 PolarHBondContact N-OD2 2.95Å; K9-D12 WeakPolarHBondContact O-CB 3.28Å; K9-D12 PolarHBondContact O-N 3.06Å; K9-D12 VanDerWaalsContact O-N 3.08Å; D12-K14 PolarHBondContact O-N 2.95Å; D12-Y15 PolarHBondContact O-N 3.27Å; D12-L16 VanDerWaalsContact O-CB 3.25Å; D12-L16 WeakPolarHBondContact O-CB 3.5Å; D12-L16 WeakPolarHBondContact O-CG 3.4Å; D12-L16 PolarHBondContact O-N 3.47Å; D12-R75 IonicContact OD1-NE 3.16Å; D12-R75 PolarHBondContact OD1-NE 3.33Å; D12-R75 VanDerWaalsContact OD1-NE 3.13Å; D12-R75 IonicContact OD2-NE 2.75Å; D12-R75 IonicContact OD2-NH2 3.46Å
13K98Very high98Very high75 Ų7551.6 Ų51.633%0.32625%0.249SC..Hα-helixtrans-57.4-49.2179.6-179.2172.1-179.8177.20111.8T8 K9 Y11 Q17 F29T8-K13 HydrophobicContact CG2-CB 3.96Å; K9-K13 PolarHBondContact O-N 3.07Å; K9-K13 VanDerWaalsContact O-N 3.11Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.27Å; K13-Q17 HydrophobicContact CG-CG 4.33Å; K13-Q17 VanDerWaalsContact O-CB 3.26Å; K13-Q17 WeakPolarHBondContact O-CB 3.22Å; K13-Q17 WeakPolarHBondContact O-CG 3.34Å; K13-Q17 PolarHBondContact O-N 3.44Å; K13-F29 HydrophobicContact CB-CD1 4.2Å; K13-F29 HydrophobicContact CB-CE1 4.12Å; K13-F29 HydrophobicContact CB-CZ 4.35Å; K13-F29 HydrophobicContact CD-CD2 4.23Å; K13-F29 HydrophobicContact CD-CG 4.38Å; K13-F29 HydrophobicContact CG-CD1 4.33Å; K13-F29 HydrophobicContact CG-CD2 4.02Å; K13-F29 HydrophobicContact CG-CE1 4.23Å; K13-F29 HydrophobicContact CG-CE2 3.92Å; K13-F29 HydrophobicContact CG-CG 4.21Å; K13-F29 HydrophobicContact CG-CZ 4.02Å
14K98.4Very high97.9Very high122 Ų12254.7 Ų54.753%0.5328%0.281SS..Hα-helixtrans-56.7-55-178.8177.1-179.6175.9178.50112Q10 Y11 D12 Q18Q10-K14 WeakPolarHBondContact O-CB 3.41Å; Q10-K14 PolarHBondContact O-N 3.32Å; Y11-K14 PolarHBondContact O-N 2.89Å; D12-K14 PolarHBondContact O-N 2.95Å; K14-Q18 WeakPolarHBondContact O-CB 3.27Å; K14-Q18 PolarHBondContact O-N 3.4Å
15Y98.5Very high97.9Very high31 Ų3155.3 Ų55.312%0.12228%0.284CS..Hα-helixtrans-76.2-34.6-173-65.6-72.5000112.4Y11 D12 Q18 V19 A301 L304 T305Y11-Y15 WeakPolarHBondContact O-CD2 3.36Å; Y11-Y15 PolarHBondContact O-N 3.04Å; Y11-Y15 VanDerWaalsContact O-N 3.13Å; D12-Y15 PolarHBondContact O-N 3.27Å; Y15-Q18 PolarHBondContact O-N 3.31Å; Y15-V19 WeakPolarHBondContact O-CB 3.39Å; Y15-V19 WeakPolarHBondContact O-CG2 3.29Å; Y15-V19 PolarHBondContact O-N 3.49Å; Y15-A301 HydrophobicContact CE1-CB 3.89Å; Y15-A301 WeakPolarHBondContact OH-CA 3.46Å; Y15-A301 VanDerWaalsContact OH-CB 3.23Å; Y15-A301 WeakPolarHBondContact OH-CB 3.31Å; Y15-L304 HydrophobicContact CD1-CB 4.41Å; Y15-L304 HydrophobicContact CD2-CB 3.46Å; Y15-L304 VanDerWaalsContact CD2-CB 3.46Å; Y15-L304 HydrophobicContact CD2-CD1 3.56Å; Y15-L304 HydrophobicContact CD2-CG 4.11Å; Y15-L304 HydrophobicContact CE2-CB 3.92Å; Y15-L304 HydrophobicContact CE2-CD1 3.38Å; Y15-L304 HydrophobicContact CE2-CG 4.3Å; Y15-L304 HydrophobicContact CG-CB 3.77Å; Y15-T305 WeakPolarHBondContact CD1-OG1 3.38Å
16L98.6Very high97.9Very high3 Ų360.9 Ų60.92%0.01631%0.31CS..Hα-helixtrans-63.1-45.6171.9-77.8167000111.4V5 D12 V19 N20 L27 F29 L312V5-L16 HydrophobicContact CG1-CD1 3.95Å; V5-L16 HydrophobicContact CG2-CD1 4.25Å; D12-L16 VanDerWaalsContact O-CB 3.25Å; D12-L16 WeakPolarHBondContact O-CB 3.5Å; D12-L16 WeakPolarHBondContact O-CG 3.4Å; D12-L16 PolarHBondContact O-N 3.47Å; L16-V19 PolarHBondContact O-N 2.78Å; L16-N20 WeakPolarHBondContact O-CB 3.17Å; L16-N20 PolarHBondContact O-N 2.77Å; L16-L27 HydrophobicContact CB-CD1 4.3Å; L16-F29 HydrophobicContact CB-CE1 4.2Å; L16-F29 HydrophobicContact CB-CZ 4.15Å; L16-F29 HydrophobicContact CD1-CE1 3.96Å; L16-L312 HydrophobicContact CD2-CD2 4.01Å; L16-L312 HydrophobicContact CD2-CG 4.24Å
17Q98.5Very high97.9Very high94 Ų9462.5 Ų62.544%0.43932%0.318SS..Hα-helixtrans-61.8-46.1177.4-74.6-178.4-44.700111.9K13 V19 N20 E21 L27 F29K13-Q17 HydrophobicContact CG-CG 4.33Å; K13-Q17 VanDerWaalsContact O-CB 3.26Å; K13-Q17 WeakPolarHBondContact O-CB 3.22Å; K13-Q17 WeakPolarHBondContact O-CG 3.34Å; K13-Q17 PolarHBondContact O-N 3.44Å; Q17-V19 PolarHBondContact O-N 3.39Å; Q17-N20 PolarHBondContact O-N 3.36Å; Q17-E21 PolarHBondContact O-N 2.75Å; Q17-L27 HydrophobicContact CG-CD1 4.33Å; Q17-F29 HydrophobicContact CG-CE2 3.74Å; Q17-F29 HydrophobicContact CG-CZ 3.83Å
18Q98.1Very high97.9Very high97 Ų9765.1 Ų65.145%0.45333%0.33SS..Hα-helixtrans-58.7-48.7178.5-179.1-175.9-24.200111.8K14 Y15 N20K14-Q18 WeakPolarHBondContact O-CB 3.27Å; K14-Q18 PolarHBondContact O-N 3.4Å; Y15-Q18 PolarHBondContact O-N 3.31Å; Q18-N20 VanDerWaalsContact C-N 3.34Å
19V98.3Very high98Very high12 Ų1266.4 Ų66.47%0.07333%0.334CS..Hα-helixtrans-70.2-34.2-179.7174.70000111.5Y15 L16 Q17 E21 S22 F23 T305 Q309 L312Y15-V19 WeakPolarHBondContact O-CB 3.39Å; Y15-V19 WeakPolarHBondContact O-CG2 3.29Å; Y15-V19 PolarHBondContact O-N 3.49Å; L16-V19 PolarHBondContact O-N 2.78Å; Q17-V19 PolarHBondContact O-N 3.39Å; V19-E21 PolarHBondContact O-N 3.43Å; V19-E21 VanDerWaalsContact O-N 3.15Å; V19-S22 PolarHBondContact O-N 2.88Å; V19-S22 VanDerWaalsContact O-N 3.17Å; V19-F23 HydrophobicContact CG1-CD2 4.21Å; V19-F23 HydrophobicContact CG1-CE2 3.81Å; V19-F23 WeakPolarHBondContact O-CD2 3.36Å; V19-T305 HydrophobicContact CG2-CG2 3.87Å; V19-Q309 HydrophobicContact CB-CG 4.47Å; V19-Q309 HydrophobicContact CG1-CB 4.25Å; V19-Q309 HydrophobicContact CG1-CG 3.56Å; V19-Q309 HydrophobicContact CG2-CG 3.97Å; V19-L312 HydrophobicContact CB-CD1 4.38Å; V19-L312 HydrophobicContact CG1-CD1 4.06Å
20N98.5Very high98.1Very high20 Ų2065.4 Ų65.411%0.10733%0.33CS..Hα-helixtrans-65.3-15.2-178.7-172.959.6000114L16 Q17 Q18 S22 F23 G24 F25 L27 L312L16-N20 WeakPolarHBondContact O-CB 3.17Å; L16-N20 PolarHBondContact O-N 2.77Å; Q17-N20 PolarHBondContact O-N 3.36Å; Q18-N20 VanDerWaalsContact C-N 3.34Å; N20-S22 PolarHBondContact O-N 2.92Å; N20-S22 VanDerWaalsContact O-N 3.09Å; N20-F23 PolarHBondContact O-N 3.09Å; N20-G24 PolarHBondContact O-N 3.38Å; N20-F25 PolarHBondContact ND2-O 3.11Å; N20-F25 WeakPolarHBondContact OD1-CB 3.47Å; N20-F25 PolarHBondContact OD1-N 3.24Å; N20-L27 HydrophobicContact CB-CD1 3.75Å; N20-L27 HydrophobicContact CB-CG 4.43Å; N20-L312 HydrophobicContact CB-CD1 3.67Å
21E97.7Very high98.1Very high169 Ų16963.8 Ų63.879%0.7933%0.326SS*.THydrogen-bonded Turntrans-53.4-29170.5-67.3-177.7-17800112.5Q17 V19Q17-E21 PolarHBondContact O-N 2.75Å; V19-E21 PolarHBondContact O-N 3.43Å; V19-E21 VanDerWaalsContact O-N 3.15Å
22S97.3Very high98.1Very high110 Ų11064.3 Ų64.377%0.76933%0.33SS*.THydrogen-bonded Turntrans-88.8-13177-59.60000114.7V19 N20V19-S22 PolarHBondContact O-N 2.88Å; V19-S22 VanDerWaalsContact O-N 3.17Å; N20-S22 PolarHBondContact O-N 2.92Å; N20-S22 VanDerWaalsContact O-N 3.09Å
23F98Very high98Very high53 Ų5367.1 Ų67.123%0.23234%0.344CS..THydrogen-bonded Turntrans-109.5-34.6-175.2-69.8-88.7000113.1V19 N20 F25 L312 Q313V19-F23 HydrophobicContact CG1-CD2 4.21Å; V19-F23 HydrophobicContact CG1-CE2 3.81Å; V19-F23 WeakPolarHBondContact O-CD2 3.36Å; N20-F23 PolarHBondContact O-N 3.09Å; F23-F25 HydrophobicContact CB-CD2 3.95Å; F23-F25 HydrophobicContact CB-CE2 3.92Å; F23-F25 HydrophobicContact CB-CG 4.47Å; F23-F25 HydrophobicContact CB-CZ 4.38Å; F23-F25 HydrophobicContact CD1-CE2 4.12Å; F23-F25 HydrophobicContact CD1-CZ 4.35Å; F23-F25 HydrophobicContact CG-CE2 4.25Å; F23-L312 HydrophobicContact CD1-CB 4.08Å; F23-L312 HydrophobicContact CD2-CB 3.75Å; F23-L312 HydrophobicContact CD2-CD1 3.82Å; F23-L312 HydrophobicContact CD2-CG 4.46Å; F23-L312 HydrophobicContact CE1-CB 4.13Å; F23-L312 HydrophobicContact CE2-CB 3.8Å; F23-L312 HydrophobicContact CE2-CD1 4.38Å; F23-L312 HydrophobicContact CG-CB 3.9Å; F23-L312 HydrophobicContact CG-CD1 4.29Å; F23-L312 HydrophobicContact CZ-CB 3.99Å; F23-Q313 HydrophobicContact CE1-CB 4.27Å; F23-Q313 HydrophobicContact CZ-CB 4.16Å
24G97.6Very high98.1Very high65 Ų6563.7 Ų63.767%0.6733%0.329SS*.  trans72.324.7177.600000114.9N20N20-G24 PolarHBondContact O-N 3.38Å
25F98.3Very high98Very high13 Ų1360 Ų606%0.05732%0.317CS..  trans-71.7149.1172.2-58.1-44.2000111.5M1 N20 F23 L27 L312 L315 E319M1-F25 HydrophobicContact CB-CD1 3.98Å; M1-F25 HydrophobicContact CB-CE1 4.17Å; M1-F25 HydrophobicContact CE-CD1 3.91Å; M1-F25 HydrophobicContact CE-CE1 3.33Å; M1-F25 HydrophobicContact CE-CE2 4.15Å; M1-F25 HydrophobicContact CE-CZ 3.45Å; M1-F25 VanDerWaalsContact CE-CZ 3.45Å; N20-F25 PolarHBondContact ND2-O 3.11Å; N20-F25 WeakPolarHBondContact OD1-CB 3.47Å; N20-F25 PolarHBondContact OD1-N 3.24Å; F23-F25 HydrophobicContact CB-CD2 3.95Å; F23-F25 HydrophobicContact CB-CE2 3.92Å; F23-F25 HydrophobicContact CB-CG 4.47Å; F23-F25 HydrophobicContact CB-CZ 4.38Å; F23-F25 HydrophobicContact CD1-CE2 4.12Å; F23-F25 HydrophobicContact CD1-CZ 4.35Å; F23-F25 HydrophobicContact CG-CE2 4.25Å; F25-L27 HydrophobicContact CB-CD2 3.97Å; F25-L27 PolarHBondContact O-N 3.1Å; F25-L312 HydrophobicContact CD2-CD2 3.99Å; F25-L312 HydrophobicContact CE2-CB 4.12Å; F25-L312 HydrophobicContact CE2-CD2 4.26Å; F25-L315 HydrophobicContact CE2-CB 4.19Å; F25-L315 HydrophobicContact CZ-CB 4.36Å; F25-E319 WeakPolarHBondContact CE1-OE2 3.39Å
26E98.5Very high98Very high117 Ų11764.1 Ų64.155%0.54734%0.338SS..EExtended strand (participates in β ladder)trans-81.2111.6167.9-175.2-172.8153.500108.5M1 K2 L3M1-E26 PolarHBondContact O-N 3.3Å; K2-E26 CarbonylContact C-O 3.59Å; K2-E26 WeakPolarHBondContact CA-O 3.33Å; K2-E26 HydrophobicContact CB-CB 4.21Å; K2-E26 HydrophobicContact CD-CG 4.35Å; K2-E26 WeakPolarHBondContact CD-OE1 3.43Å; K2-E26 WeakPolarHBondContact CE-OE1 3.5Å; K2-E26 HydrophobicContact CG-CB 4.04Å; K2-E26 HydrophobicContact CG-CG 4.06Å; K2-E26 IonicContact NZ-OE1 2.64Å; K2-E26 PolarHBondContact NZ-OE1 3.39Å; K2-E26 VanDerWaalsContact NZ-OE1 3.13Å; L3-E26 PolarHBondContact N-O 2.82Å
27L98.6Very high98Very high33 Ų3372.3 Ų72.317%0.17337%0.373CS..EExtended strand (participates in β ladder)trans-98.5123.6-176.7-54.9-174.7000111.1L3 L16 Q17 N20 F25 F29L3-L27 HydrophobicContact CB-CD2 4.03Å; L3-L27 HydrophobicContact CD2-CD2 3.86Å; L3-L27 HydrophobicContact CG-CD2 4.4Å; L16-L27 HydrophobicContact CB-CD1 4.3Å; Q17-L27 HydrophobicContact CG-CD1 4.33Å; N20-L27 HydrophobicContact CB-CD1 3.75Å; N20-L27 HydrophobicContact CB-CG 4.43Å; F25-L27 HydrophobicContact CB-CD2 3.97Å; F25-L27 PolarHBondContact O-N 3.1Å; L27-F29 HydrophobicContact CB-CD2 4.35Å; L27-F29 HydrophobicContact CB-CE2 3.6Å; L27-F29 HydrophobicContact CB-CZ 3.88Å; L27-F29 HydrophobicContact CD1-CE2 4.09Å; L27-F29 HydrophobicContact CD1-CZ 3.69Å; L27-F29 HydrophobicContact CG-CZ 4.43Å
28E98.5Very high98Very high64 Ų6469.3 Ų69.330%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-113.6125171.8-169.1163.5167.700109.4K2 L3 A4 V5 F30K2-E28 WeakPolarHBondContact CE-OE2 3.42Å; K2-E28 IonicContact NZ-OE2 3.6Å; K2-E28 PolarHBondContact NZ-OE2 2.96Å; L3-E28 PolarHBondContact O-N 3.08Å; A4-E28 CarbonylContact C-O 3.52Å; A4-E28 WeakPolarHBondContact CA-O 3.4Å; V5-E28 PolarHBondContact N-O 3.29Å; E28-F30 HydrophobicContact CG-CE1 4.1Å; E28-F30 HydrophobicContact CG-CE2 4.1Å; E28-F30 HydrophobicContact CG-CZ 3.65Å; E28-F30 WeakPolarHBondContact OE1-CZ 3.31Å
29F98.7Very high98Very high42 Ų4264.7 Ų64.718%0.18434%0.34CS..EExtended strand (participates in β ladder)trans-111.9125.1-171.6-67.8-81000111.4V5 T8 K13 L16 Q17 L27V5-F29 HydrophobicContact CB-CD1 3.72Å; V5-F29 HydrophobicContact CB-CE1 4.1Å; V5-F29 HydrophobicContact CG1-CD1 4.09Å; V5-F29 HydrophobicContact CG1-CE1 4.29Å; V5-F29 HydrophobicContact CG2-CD1 3.93Å; V5-F29 HydrophobicContact CG2-CE1 3.86Å; T8-F29 HydrophobicContact CG2-CB 4.06Å; T8-F29 HydrophobicContact CG2-CD1 3.56Å; T8-F29 HydrophobicContact CG2-CE1 4.41Å; T8-F29 HydrophobicContact CG2-CG 4.16Å; K13-F29 HydrophobicContact CB-CD1 4.2Å; K13-F29 HydrophobicContact CB-CE1 4.12Å; K13-F29 HydrophobicContact CB-CZ 4.35Å; K13-F29 HydrophobicContact CD-CD2 4.23Å; K13-F29 HydrophobicContact CD-CG 4.38Å; K13-F29 HydrophobicContact CG-CD1 4.33Å; K13-F29 HydrophobicContact CG-CD2 4.02Å; K13-F29 HydrophobicContact CG-CE1 4.23Å; K13-F29 HydrophobicContact CG-CE2 3.92Å; K13-F29 HydrophobicContact CG-CG 4.21Å; K13-F29 HydrophobicContact CG-CZ 4.02Å; L16-F29 HydrophobicContact CB-CE1 4.2Å; L16-F29 HydrophobicContact CB-CZ 4.15Å; L16-F29 HydrophobicContact CD1-CE1 3.96Å; Q17-F29 HydrophobicContact CG-CE2 3.74Å; Q17-F29 HydrophobicContact CG-CZ 3.83Å; L27-F29 HydrophobicContact CB-CD2 4.35Å; L27-F29 HydrophobicContact CB-CE2 3.6Å; L27-F29 HydrophobicContact CB-CZ 3.88Å; L27-F29 HydrophobicContact CD1-CE2 4.09Å; L27-F29 HydrophobicContact CD1-CZ 3.69Å; L27-F29 HydrophobicContact CG-CZ 4.43Å
30F98.4Very high98Very high27 Ų2770.4 Ų70.412%0.11836%0.364CS..  trans-117130.9175-57.5-59.5000109.9A4 V5 Y6 S7 T8 E28 F32A4-F30 HydrophobicContact CB-CD2 4.27Å; A4-F30 HydrophobicContact CB-CE2 3.83Å; V5-F30 PolarHBondContact O-N 2.9Å; Y6-F30 CarbonylContact C-O 3.57Å; Y6-F30 HydrophobicContact CD1-CB 4.28Å; Y6-F30 HydrophobicContact CD1-CD2 4.25Å; Y6-F30 AromaticContact CE1-CD2 3.92Å; Y6-F30 HydrophobicContact CE1-CD2 3.92Å; S7-F30 PolarHBondContact N-O 2.92Å; T8-F30 WeakPolarHBondContact CB-O 3.42Å; T8-F30 PolarHBondContact N-O 3.28Å; T8-F30 PolarHBondContact OG1-O 3.41Å; E28-F30 HydrophobicContact CG-CE1 4.1Å; E28-F30 HydrophobicContact CG-CE2 4.1Å; E28-F30 HydrophobicContact CG-CZ 3.65Å; E28-F30 WeakPolarHBondContact OE1-CZ 3.31Å; F30-F32 HydrophobicContact CB-CD1 4.18Å; F30-F32 HydrophobicContact CB-CD2 4.32Å; F30-F32 HydrophobicContact CB-CE1 3.76Å; F30-F32 HydrophobicContact CB-CE2 3.92Å; F30-F32 HydrophobicContact CB-CG 4.45Å; F30-F32 HydrophobicContact CB-CZ 3.61Å; F30-F32 AromaticContact CD1-CE1 3.66Å; F30-F32 HydrophobicContact CD1-CE1 3.66Å; F30-F32 HydrophobicContact CD1-CE2 4.47Å; F30-F32 AromaticContact CD1-CZ 3.48Å; F30-F32 HydrophobicContact CD1-CZ 3.48Å; F30-F32 VanDerWaalsContact CD1-CZ 3.48Å; F30-F32 HydrophobicContact CD2-CZ 4.31Å; F30-F32 HydrophobicContact CE1-CZ 4.2Å; F30-F32 AromaticContact CG-CE1 3.96Å; F30-F32 HydrophobicContact CG-CE1 3.96Å; F30-F32 HydrophobicContact CG-CE2 4.11Å; F30-F32 AromaticContact CG-CZ 3.54Å; F30-F32 HydrophobicContact CG-CZ 3.54Å
31D96.7Very high98Very high121 Ų12171.6 Ų71.665%0.64737%0.372SS*.SBendtrans-82.7-20.517957.40.6000112.9
32F96.7Very high98Very high73 Ų7363.5 Ų63.532%0.3233%0.334SS..SBendtrans-81.1158.1176.955.3-98.5000113.3Y6 S7 F30 T38 T41Y6-F32 HydrophobicContact CD1-CD2 4.31Å; Y6-F32 HydrophobicContact CD1-CE2 4.07Å; Y6-F32 HydrophobicContact CE1-CD2 4.5Å; Y6-F32 AromaticContact CE1-CE2 3.86Å; Y6-F32 HydrophobicContact CE1-CE2 3.86Å; S7-F32 PolarHBondContact N-O 2.85Å; F30-F32 HydrophobicContact CB-CD1 4.18Å; F30-F32 HydrophobicContact CB-CD2 4.32Å; F30-F32 HydrophobicContact CB-CE1 3.76Å; F30-F32 HydrophobicContact CB-CE2 3.92Å; F30-F32 HydrophobicContact CB-CG 4.45Å; F30-F32 HydrophobicContact CB-CZ 3.61Å; F30-F32 AromaticContact CD1-CE1 3.66Å; F30-F32 HydrophobicContact CD1-CE1 3.66Å; F30-F32 HydrophobicContact CD1-CE2 4.47Å; F30-F32 AromaticContact CD1-CZ 3.48Å; F30-F32 HydrophobicContact CD1-CZ 3.48Å; F30-F32 VanDerWaalsContact CD1-CZ 3.48Å; F30-F32 HydrophobicContact CD2-CZ 4.31Å; F30-F32 HydrophobicContact CE1-CZ 4.2Å; F30-F32 AromaticContact CG-CE1 3.96Å; F30-F32 HydrophobicContact CG-CE1 3.96Å; F30-F32 HydrophobicContact CG-CE2 4.11Å; F30-F32 AromaticContact CG-CZ 3.54Å; F30-F32 HydrophobicContact CG-CZ 3.54Å; F32-T38 HydrophobicContact CD2-CG2 3.72Å; F32-T38 HydrophobicContact CE2-CG2 3.92Å; F32-T41 HydrophobicContact CE2-CG2 4.37Å; F32-T41 HydrophobicContact CZ-CG2 4.03Å
33L97.1Very high98Very high69 Ų6963.2 Ų63.236%0.36132%0.324SS..PPolyproline II helixtrans-64.9142.3176.2-71160.8000111.8S7 T35 T38 N53S7-L33 VanDerWaalsContact OG-CD2 3.25Å; S7-L33 WeakPolarHBondContact OG-CD2 3.44Å; L33-T35 HydrophobicContact CB-CG2 4.13Å; L33-T35 PolarHBondContact O-N 3.3Å; L33-T38 PolarHBondContact O-OG1 3.41Å; L33-N53 HydrophobicContact CD2-CB 3.66Å
34L98.3Very high98Very high2 Ų263.2 Ų63.21%0.0134%0.339CS..PPolyproline II helixtrans-69.4126.4160.4178.466.5000109.2Y6 A39 I50 D54 D55 V60 L64Y6-L34 HydrophobicContact CD1-CB 3.8Å; Y6-L34 HydrophobicContact CD1-CD1 4.26Å; Y6-L34 HydrophobicContact CD2-CB 4.18Å; Y6-L34 HydrophobicContact CD2-CD1 4.43Å; Y6-L34 HydrophobicContact CE1-CB 4.32Å; Y6-L34 HydrophobicContact CE1-CD1 3.9Å; Y6-L34 HydrophobicContact CE2-CD1 4.1Å; Y6-L34 HydrophobicContact CG-CB 3.72Å; L34-A39 HydrophobicContact CD1-CB 4.06Å; L34-I50 HydrophobicContact CB-CG2 4.42Å; L34-I50 HydrophobicContact CD2-CG2 3.7Å; L34-D54 HydrophobicContact CB-CB 4.03Å; L34-D54 PolarHBondContact N-OD1 2.8Å; L34-D55 WeakPolarHBondContact O-CB 3.46Å; L34-D55 PolarHBondContact O-N 2.95Å; L34-V60 HydrophobicContact CD1-CG1 3.98Å; L34-V60 HydrophobicContact CD2-CG1 3.98Å; L34-V60 HydrophobicContact CG-CG1 3.79Å; L34-L64 HydrophobicContact CD1-CD2 4.1Å; L34-L64 HydrophobicContact CD2-CD1 4.08Å
35T98.2Very high98Very high45 Ų4560.2 Ų60.228%0.27631%0.307SS..  trans-145.8170.8178.967.20000108.1L33 K37 T38 A39L33-T35 HydrophobicContact CB-CG2 4.13Å; L33-T35 PolarHBondContact O-N 3.3Å; T35-K37 PolarHBondContact O-N 3.2Å; T35-K37 VanDerWaalsContact O-N 3.16Å; T35-K37 PolarHBondContact OG1-N 3.42Å; T35-T38 PolarHBondContact N-OG1 3.14Å; T35-T38 PolarHBondContact O-N 3.38Å; T35-T38 VanDerWaalsContact O-N 3.12Å; T35-T38 PolarHBondContact O-OG1 3.5Å; T35-T38 PolarHBondContact OG1-N 2.89Å; T35-T38 PolarHBondContact OG1-OG1 3.28Å; T35-A39 PolarHBondContact O-N 3.21Å
36E98.3Very high98Very high118 Ų11862.6 Ų62.655%0.55132%0.319SS*.THydrogen-bonded Turntrans-53.3-38.6174.4-170-174.1174.100112.2P59 V60E36-P59 HydrophobicContact CG-CB 4.33Å; E36-V60 HydrophobicContact CB-CG2 4.27Å
37K97.7Very high98Very high175 Ų17557 Ų5776%0.76129%0.293SS*.THydrogen-bonded Turntrans-75.9-29.6-178.4-66179.4-177.5173.70113.6T35 K40T35-K37 PolarHBondContact O-N 3.2Å; T35-K37 VanDerWaalsContact O-N 3.16Å; T35-K37 PolarHBondContact OG1-N 3.42Å; K37-K40 VanDerWaalsContact O-CE 3.3Å; K37-K40 WeakPolarHBondContact O-CE 3.37Å
38T98.4Very high98Very high31 Ų3155.5 Ų55.519%0.1929%0.285CS..THydrogen-bonded Turntrans-94.7-17.5-176.952.80000112.2F32 L33 T35 K40 T41F32-T38 HydrophobicContact CD2-CG2 3.72Å; F32-T38 HydrophobicContact CE2-CG2 3.92Å; L33-T38 PolarHBondContact O-OG1 3.41Å; T35-T38 PolarHBondContact N-OG1 3.14Å; T35-T38 PolarHBondContact O-N 3.38Å; T35-T38 VanDerWaalsContact O-N 3.12Å; T35-T38 PolarHBondContact O-OG1 3.5Å; T35-T38 PolarHBondContact OG1-N 2.89Å; T35-T38 PolarHBondContact OG1-OG1 3.28Å; T38-K40 PolarHBondContact O-N 3.34Å; T38-T41 WeakPolarHBondContact O-CB 3.42Å; T38-T41 PolarHBondContact O-N 3.13Å; T38-T41 PolarHBondContact O-OG1 3.15Å
39A98.5Very high98.1Very high0 Ų052.4 Ų52.40%027%0.27CS..G310 helixtrans-50.6-32178.600000114.3L34 T35 T41 A42 V60 E63 L64L34-A39 HydrophobicContact CD1-CB 4.06Å; T35-A39 PolarHBondContact O-N 3.21Å; A39-T41 PolarHBondContact O-N 2.83Å; A39-T41 VanDerWaalsContact O-N 3.14Å; A39-A42 VanDerWaalsContact O-CB 3.27Å; A39-A42 WeakPolarHBondContact O-CB 3.38Å; A39-A42 PolarHBondContact O-N 2.9Å; A39-V60 HydrophobicContact CB-CG1 4.16Å; A39-E63 HydrophobicContact CB-CB 3.8Å; A39-E63 HydrophobicContact CB-CG 3.77Å; A39-L64 HydrophobicContact CB-CD2 4.08Å; A39-L64 HydrophobicContact CB-CG 4.35Å
40K98.1Very high98Very high131 Ų13150.5 Ų50.557%0.5726%0.262SS*.G310 helixtrans-58-22.5174.468.6-176.1175.4-175.50115.3K37 T38 A42 N43 H67K37-K40 VanDerWaalsContact O-CE 3.3Å; K37-K40 WeakPolarHBondContact O-CE 3.37Å; T38-K40 PolarHBondContact O-N 3.34Å; K40-A42 PolarHBondContact O-N 3.4Å; K40-N43 WeakPolarHBondContact O-CB 3.48Å; K40-N43 PolarHBondContact O-N 3.18Å; K40-H67 WeakPolarHBondContact CA-NE2 3.43Å; K40-H67 WeakPolarHBondContact CB-NE2 3.42Å
41T98.4Very high97.9Very high45 Ų4549.7 Ų49.728%0.27626%0.258SS..G310 helixtrans-72.4-13.6176.262.40000112.2Y6 F32 T38 A39 N43Y6-T41 WeakPolarHBondContact CE1-OG1 3.33Å; Y6-T41 PolarHBondContact OH-OG1 3.44Å; F32-T41 HydrophobicContact CE2-CG2 4.37Å; F32-T41 HydrophobicContact CZ-CG2 4.03Å; T38-T41 WeakPolarHBondContact O-CB 3.42Å; T38-T41 PolarHBondContact O-N 3.13Å; T38-T41 PolarHBondContact O-OG1 3.15Å; A39-T41 PolarHBondContact O-N 2.83Å; A39-T41 VanDerWaalsContact O-N 3.14Å; T41-N43 PolarHBondContact O-N 3.46Å
42A98.2Very high97.7Very high0 Ų045.2 Ų45.20%024%0.235CC..G310 helixtrans-75.6-2.8171.900000113.4Y6 A39 K40 G44 C45 V48 L64 V69Y6-A42 WeakPolarHBondContact OH-CB 3.45Å; Y6-A42 PolarHBondContact OH-N 3.24Å; Y6-A42 VanDerWaalsContact OH-N 3.09Å; A39-A42 VanDerWaalsContact O-CB 3.27Å; A39-A42 WeakPolarHBondContact O-CB 3.38Å; A39-A42 PolarHBondContact O-N 2.9Å; K40-A42 PolarHBondContact O-N 3.4Å; A42-G44 PolarHBondContact O-N 2.98Å; A42-C45 VanDerWaalsContact O-CB 3.29Å; A42-C45 WeakPolarHBondContact O-CB 3.49Å; A42-C45 PolarHBondContact O-N 3.45Å; A42-V48 HydrophobicContact CB-CG1 3.8Å; A42-L64 HydrophobicContact CB-CD2 3.84Å; A42-V69 HydrophobicContact CB-CG2 3.66Å
43N97.9Very high97.4Very high104 Ų10442.9 Ų42.956%0.55623%0.226SC*.THydrogen-bonded Turntrans-54.4127-179.2-169.6-61.9000111.3K40 T41 C45 H67K40-N43 WeakPolarHBondContact O-CB 3.48Å; K40-N43 PolarHBondContact O-N 3.18Å; T41-N43 PolarHBondContact O-N 3.46Å; N43-C45 VanDerWaalsContact C-N 3.29Å; N43-H67 PolarHBondContact ND2-ND1 3.04Å; N43-H67 VanDerWaalsContact ND2-ND1 3.12Å
44G97Very high97.4Very high53 Ų5339.6 Ų39.655%0.54621%0.209SC..THydrogen-bonded Turntrans84.2-2.7-177.200000114.7A42A42-G44 PolarHBondContact O-N 2.98Å
45C98.2Very high97.3Very high2 Ų241.8 Ų41.81%0.01422%0.221CC..  trans-95.8132.5169.3-57.60000109.8A4 A42 N43 A47A4-C45 HydrophobicContact CB-CB 4.13Å; A42-C45 VanDerWaalsContact O-CB 3.29Å; A42-C45 WeakPolarHBondContact O-CB 3.49Å; A42-C45 PolarHBondContact O-N 3.45Å; N43-C45 VanDerWaalsContact C-N 3.29Å; C45-A47 VanDerWaalsContact C-N 3.31Å
46E98.2Very high97.3Very high63 Ų6339.7 Ų39.729%0.29421%0.208SC..SBendtrans-80-20.4174.4-62.6-173.7-71.300111.8M1 K2 K70 Y71M1-E46 HydrophobicContact CG-CB 4.2Å; K2-E46 PolarHBondContact O-N 2.85Å; E46-K70 PolarHBondContact O-N 3.02Å; E46-K70 IonicContact OE2-NZ 3.94Å; E46-K70 PolarHBondContact OE2-NZ 3.08Å; E46-Y71 PolarHBondContact O-N 3.13Å; E46-Y71 VanDerWaalsContact O-N 3.14Å
47A98.7Very high97.2Very high0 Ų035.9 Ų35.90%020%0.195CC..EExtended strand (participates in β ladder)trans-133.3152.2-178.200000112.2M1 K2 L3 A4 C45 Y71 L315M1-A47 HydrophobicContact CG-CB 4.38Å; M1-A47 HydrophobicContact SD-CB 3.71Å; K2-A47 PolarHBondContact O-N 3.4Å; L3-A47 HydrophobicContact CD1-CB 3.55Å; A4-A47 PolarHBondContact N-O 2.95Å; A4-A47 VanDerWaalsContact N-O 3.08Å; C45-A47 VanDerWaalsContact C-N 3.31Å; A47-Y71 CarbonylContact C-O 3.38Å; A47-Y71 VanDerWaalsContact CA-O 3.26Å; A47-Y71 WeakPolarHBondContact CA-O 3.36Å; A47-Y71 HydrophobicContact CB-CD2 4.21Å; A47-L315 HydrophobicContact CB-CD2 3.7Å
48V98.8Very high97.3Very high0 Ų031.2 Ų31.20%017%0.172CC..EExtended strand (participates in β ladder)trans-121.1143.8166.7-59.40000110.7A4 Y6 A42 I50 L64 V69 Y71 I72 A73A4-V48 HydrophobicContact CB-CG1 4.34Å; A4-V48 CarbonylContact O-C 3.56Å; A4-V48 VanDerWaalsContact O-CA 3.24Å; A4-V48 WeakPolarHBondContact O-CA 3.38Å; Y6-V48 HydrophobicContact CD2-CB 4.32Å; Y6-V48 HydrophobicContact CE2-CB 4.05Å; Y6-V48 HydrophobicContact CE2-CG1 3.8Å; A42-V48 HydrophobicContact CB-CG1 3.8Å; V48-I50 HydrophobicContact CG2-CG2 4.34Å; V48-L64 HydrophobicContact CG1-CD2 3.93Å; V48-L64 HydrophobicContact CG2-CD1 4.04Å; V48-V69 HydrophobicContact CG1-CG1 4.03Å; V48-V69 HydrophobicContact CG1-CG2 4Å; V48-V69 HydrophobicContact CG2-CG1 4.24Å; V48-Y71 PolarHBondContact N-O 3.01Å; V48-I72 HydrophobicContact CG2-CB 4.24Å; V48-I72 HydrophobicContact CG2-CG1 3.84Å; V48-I72 HydrophobicContact CG2-CG2 4.16Å; V48-A73 PolarHBondContact O-N 2.98Å
49C98.8Very high97.3Very high0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-114.51211731780000109.5L3 A4 V5 Y6 A73 R75L3-C49 HydrophobicContact CD1-CB 3.93Å; L3-C49 HydrophobicContact CD2-CB 4.19Å; L3-C49 HydrophobicContact CG-CB 4.26Å; A4-C49 PolarHBondContact O-N 3.46Å; V5-C49 WeakPolarHBondContact CA-O 3.44Å; V5-C49 HydrophobicContact CB-CB 4.36Å; V5-C49 HydrophobicContact CG1-CB 4.14Å; V5-C49 HydrophobicContact CG2-CB 4.08Å; Y6-C49 PolarHBondContact N-O 3.39Å; C49-A73 CarbonylContact C-O 3.48Å; C49-A73 VanDerWaalsContact CA-O 3.25Å; C49-A73 WeakPolarHBondContact CA-O 3.22Å; C49-R75 PolarHBondContact O-NH1 3.42Å
50I98.5Very high97.3Very high1 Ų132.4 Ų32.41%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-126.2163.6-172.664.4169.2000111.3Y6 L34 V48 D54 I72 A73 L74 R75 V82Y6-I50 HydrophobicContact CD2-CG2 4.33Å; L34-I50 HydrophobicContact CB-CG2 4.42Å; L34-I50 HydrophobicContact CD2-CG2 3.7Å; V48-I50 HydrophobicContact CG2-CG2 4.34Å; I50-D54 WeakPolarHBondContact CA-OD2 3.31Å; I50-D54 HydrophobicContact CB-CB 3.79Å; I50-D54 WeakPolarHBondContact CB-OD2 3.31Å; I50-D54 HydrophobicContact CG2-CB 4.14Å; I50-I72 HydrophobicContact CD1-CG2 3.73Å; I50-I72 HydrophobicContact CG1-CG2 4.05Å; I50-A73 PolarHBondContact N-O 2.95Å; I50-L74 HydrophobicContact CD1-CG 4.21Å; I50-L74 HydrophobicContact CG1-CG 4.02Å; I50-L74 WeakPolarHBondContact O-CA 3.25Å; I50-R75 VanDerWaalsContact C-NH1 3.29Å; I50-R75 PolarHBondContact O-N 3.15Å; I50-V82 HydrophobicContact CD1-CG2 3.83Å
51F96.2Very high97.3Very high11 Ų1126.2 Ų26.25%0.04815%0.154CC..  trans-123.9-173.4176-157.3-127.6000111.2N53 D54 R75 C76 N81 F268 F298F51-N53 VanDerWaalsContact C-N 3.28Å; F51-N53 PolarHBondContact O-N 3.04Å; F51-D54 PolarHBondContact N-OD2 2.85Å; F51-D54 PolarHBondContact O-N 3.49Å; F51-R75 HydrophobicContact CB-CG 4.39Å; F51-R75 HydrophobicContact CD2-CG 3.6Å; F51-R75 HydrophobicContact CE2-CG 4.33Å; F51-R75 HydrophobicContact CG-CG 4.38Å; F51-C76 HydrophobicContact CD2-CB 3.69Å; F51-C76 HydrophobicContact CE2-CB 3.55Å; F51-N81 PolarHBondContact O-ND2 2.82Å; F51-F268 HydrophobicContact CE1-CD1 4.18Å; F51-F268 AromaticContact CE1-CE1 3.68Å; F51-F268 HydrophobicContact CE1-CE1 3.68Å; F51-F268 HydrophobicContact CE1-CE2 4.12Å; F51-F268 AromaticContact CE1-CZ 3.61Å; F51-F268 HydrophobicContact CE1-CZ 3.61Å; F51-F268 HydrophobicContact CZ-CE1 4.37Å; F51-F268 HydrophobicContact CZ-CZ 4.31Å; F51-F298 HydrophobicContact CE1-CZ 4.42Å; F51-F298 HydrophobicContact CE2-CZ 4.33Å; F51-F298 HydrophobicContact CZ-CE1 4Å; F51-F298 HydrophobicContact CZ-CE2 4.45Å; F51-F298 AromaticContact CZ-CZ 3.58Å; F51-F298 HydrophobicContact CZ-CZ 3.58Å
52V91.4Very high97.3Very high27 Ų2727.7 Ų27.716%0.16416%0.157CC..THydrogen-bonded Turntrans-65.8-24.6-167.9-62.30000114.8C76 F268V52-C76 HydrophobicContact CG1-CB 3.84Å; V52-F268 HydrophobicContact CG2-CD2 4.34Å; V52-F268 HydrophobicContact CG2-CE2 3.54Å; V52-F268 HydrophobicContact CG2-CZ 4.05Å
53N90.7Very high97.4Very high24 Ų2429.8 Ų29.813%0.12817%0.167CC..THydrogen-bonded Turntrans-89.7-19.3-178.4-742.3000113.5L33 F51 R264 F267L33-N53 HydrophobicContact CD2-CB 3.66Å; F51-N53 VanDerWaalsContact C-N 3.28Å; F51-N53 PolarHBondContact O-N 3.04Å; N53-R264 PolarHBondContact ND2-O 3.4Å; N53-F267 PolarHBondContact ND2-O 3.12Å
54D96.2Very high97.4Very high0 Ų024.9 Ų24.90%014%0.141CC..SBendtrans-62.9148.9177.9-70.5-53.6000111.1S7 L34 I50 F51 N81S7-D54 VanDerWaalsContact OG-CG 3.28Å; S7-D54 PolarHBondContact OG-OD1 3.11Å; S7-D54 PolarHBondContact OG-OD2 2.91Å; L34-D54 HydrophobicContact CB-CB 4.03Å; L34-D54 PolarHBondContact N-OD1 2.8Å; I50-D54 WeakPolarHBondContact CA-OD2 3.31Å; I50-D54 HydrophobicContact CB-CB 3.79Å; I50-D54 WeakPolarHBondContact CB-OD2 3.31Å; I50-D54 HydrophobicContact CG2-CB 4.14Å; F51-D54 PolarHBondContact N-OD2 2.85Å; F51-D54 PolarHBondContact O-N 3.49Å; D54-N81 WeakPolarHBondContact O-CB 3.29Å; D54-N81 PolarHBondContact O-ND2 3.03Å
55D96.7Very high97.5Very high47 Ų4727.1 Ų27.125%0.25114%0.135SC..  trans-91.5114.6178.6-1741.3000110.7L34 S57 V60L34-D55 WeakPolarHBondContact O-CB 3.46Å; L34-D55 PolarHBondContact O-N 2.95Å; D55-S57 WeakPolarHBondContact OD1-CB 3.12Å; D55-S57 PolarHBondContact OD1-N 3.32Å; D55-S57 PolarHBondContact OD1-OG 3.33Å; D55-S57 PolarHBondContact OD2-OG 3Å; D55-V60 HydrophobicContact CB-CG2 4.05Å; D55-V60 WeakPolarHBondContact O-CG1 3.36Å; D55-V60 WeakPolarHBondContact OD2-CG2 3.35Å
56G97.5Very high97.4Very high1 Ų133.9 Ų33.91%0.0117%0.165CC..BIsolated β-bridgetrans-111.226173.400000112.8L61 N81 V82 D83G56-L61 WeakPolarHBondContact O-CD1 3.36Å; G56-L61 WeakPolarHBondContact O-CG 3.3Å; G56-N81 CarbonylContact C-O 3.59Å; G56-N81 VanDerWaalsContact C-O 3.28Å; G56-N81 WeakPolarHBondContact CA-O 3.34Å; G56-N81 PolarHBondContact N-O 3.11Å; G56-V82 WeakPolarHBondContact O-CA 3.25Å; G56-D83 PolarHBondContact O-N 3.41Å
57S98.1Very high97.4Very high39 Ų3932.9 Ų32.927%0.27316%0.16SC..SBendtrans-68.5161.6174.663.40000112.5D55 V60 L61D55-S57 WeakPolarHBondContact OD1-CB 3.12Å; D55-S57 PolarHBondContact OD1-N 3.32Å; D55-S57 PolarHBondContact OD1-OG 3.33Å; D55-S57 PolarHBondContact OD2-OG 3Å; S57-V60 WeakPolarHBondContact O-CB 3.15Å; S57-V60 PolarHBondContact O-N 2.85Å; S57-L61 WeakPolarHBondContact O-CG 3.48Å; S57-L61 PolarHBondContact O-N 3.05Å
58R98.6Very high97.4Very high77 Ų7734.9 Ų34.929%0.29118%0.18SC..Hα-helixtrans-44.7-49.2-178.6175.2176.7-64.9-93.54.7115.1V60 L61 E62 A86 E89R58-V60 VanDerWaalsContact C-N 3.27Å; R58-V60 PolarHBondContact O-N 3.09Å; R58-L61 PolarHBondContact O-N 3.49Å; R58-E62 HydrophobicContact CG-CG 4.29Å; R58-E62 WeakPolarHBondContact CG-OE1 3.45Å; R58-E62 WeakPolarHBondContact O-CG 3.49Å; R58-E62 PolarHBondContact O-N 2.73Å; R58-A86 HydrophobicContact CB-CB 3.78Å; R58-A86 HydrophobicContact CG-CB 4Å; R58-A86 VanDerWaalsContact CZ-CB 3.46Å; R58-E89 IonicContact CZ-OE2 3.13Å; R58-E89 VanDerWaalsContact CZ-OE2 3.24Å; R58-E89 IonicContact NH1-OE2 2.74Å; R58-E89 PolarHBondContact NH1-OE2 2.98Å; R58-E89 IonicContact NH2-OE1 3.77Å; R58-E89 PolarHBondContact NH2-OE1 3.27Å; R58-E89 IonicContact NH2-OE2 2.73Å; R58-E89 PolarHBondContact NH2-OE2 2.91Å
59P98.5Very high97.4Very high56 Ų5635.1 Ų35.136%0.36418%0.182SC..Hα-helixtrans-58.1-39.1179.8-25.335.7000113.2E36 E63E36-P59 HydrophobicContact CG-CB 4.33Å; P59-E63 PolarHBondContact O-N 3.48Å
60V98.7Very high97.3Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-69.5-43.9177.6-169.60000110.9L34 E36 A39 D55 S57 R58 E62 E63 L64L34-V60 HydrophobicContact CD1-CG1 3.98Å; L34-V60 HydrophobicContact CD2-CG1 3.98Å; L34-V60 HydrophobicContact CG-CG1 3.79Å; E36-V60 HydrophobicContact CB-CG2 4.27Å; A39-V60 HydrophobicContact CB-CG1 4.16Å; D55-V60 HydrophobicContact CB-CG2 4.05Å; D55-V60 WeakPolarHBondContact O-CG1 3.36Å; D55-V60 WeakPolarHBondContact OD2-CG2 3.35Å; S57-V60 WeakPolarHBondContact O-CB 3.15Å; S57-V60 PolarHBondContact O-N 2.85Å; R58-V60 VanDerWaalsContact C-N 3.27Å; R58-V60 PolarHBondContact O-N 3.09Å; V60-E62 VanDerWaalsContact C-N 3.32Å; V60-E62 PolarHBondContact O-N 3.44Å; V60-E63 PolarHBondContact O-N 3.35Å; V60-E63 VanDerWaalsContact O-N 3.16Å; V60-L64 HydrophobicContact CG1-CG 4.43Å; V60-L64 WeakPolarHBondContact O-CG 3.48Å; V60-L64 PolarHBondContact O-N 3.16Å
61L98.8Very high97.4Very high1 Ų141.1 Ų41.11%0.00521%0.207CC..Hα-helixtrans-61.2-40.6178.1-62177.4000112.1G56 S57 R58 E63 L64 K65 I72 D83 A86 A87 L90 L92G56-L61 WeakPolarHBondContact O-CD1 3.36Å; G56-L61 WeakPolarHBondContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.48Å; S57-L61 PolarHBondContact O-N 3.05Å; R58-L61 PolarHBondContact O-N 3.49Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-L64 HydrophobicContact CD2-CD1 4.47Å; L61-L64 PolarHBondContact O-N 3Å; L61-K65 WeakPolarHBondContact O-CB 3.42Å; L61-K65 PolarHBondContact O-N 2.88Å; L61-I72 HydrophobicContact CD2-CD1 3.21Å; L61-D83 HydrophobicContact CD1-CB 4.16Å; L61-D83 VanDerWaalsContact CD1-O 3.26Å; L61-D83 WeakPolarHBondContact CD1-O 3.49Å; L61-A86 HydrophobicContact CD1-CB 3.91Å; L61-A87 HydrophobicContact CD1-CB 4.01Å; L61-L90 HydrophobicContact CB-CD1 3.55Å; L61-L92 HydrophobicContact CB-CD1 3.92Å; L61-L92 HydrophobicContact CD2-CD1 4.14Å
62E98.6Very high97.5Very high75 Ų7540.6 Ų40.635%0.3521%0.205SC..Hα-helixtrans-61.1-43.1174.1-73.9176.6-177.100111.5R58 V60 K65 K66 L90R58-E62 HydrophobicContact CG-CG 4.29Å; R58-E62 WeakPolarHBondContact CG-OE1 3.45Å; R58-E62 WeakPolarHBondContact O-CG 3.49Å; R58-E62 PolarHBondContact O-N 2.73Å; V60-E62 VanDerWaalsContact C-N 3.32Å; V60-E62 PolarHBondContact O-N 3.44Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-K66 WeakPolarHBondContact O-CG 3.09Å; E62-K66 PolarHBondContact O-N 3.1Å; E62-L90 HydrophobicContact CG-CD1 3.92Å; E62-L90 HydrophobicContact CG-CD2 4Å
63E98.5Very high97.8Very high45 Ų4539.4 Ų39.421%0.2120%0.198CC..Hα-helixtrans-67.8-43178.9-159.761.7-163.500112A39 P59 V60 L61 K65 K66 H67A39-E63 HydrophobicContact CB-CB 3.8Å; A39-E63 HydrophobicContact CB-CG 3.77Å; P59-E63 PolarHBondContact O-N 3.48Å; V60-E63 PolarHBondContact O-N 3.35Å; V60-E63 VanDerWaalsContact O-N 3.16Å; L61-E63 VanDerWaalsContact C-N 3.33Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.16Å; E63-K66 WeakPolarHBondContact O-CB 3.47Å; E63-K66 PolarHBondContact O-N 3.18Å; E63-K66 WeakPolarHBondContact OE2-CD 3.46Å; E63-K66 IonicContact OE2-NZ 3.92Å; E63-K66 PolarHBondContact OE2-NZ 3.29Å; E63-H67 PolarHBondContact O-CD2 3.13Å; E63-H67 PolarHBondContact O-N 3.34Å; E63-H67 VanDerWaalsContact O-N 3.09Å; E63-H67 IonicContact OE1-CD2 3.85Å; E63-H67 IonicContact OE1-NE2 3.49Å; E63-H67 PolarHBondContact OE1-NE2 3.24Å
64L98.7Very high98.2Very high1 Ų138.2 Ų38.21%0.00519%0.192CC..Hα-helixtrans-56.2-46.2172.8-72.3179.1000111.5L34 A39 A42 V48 V60 L61 K66 H67 G68 V69 I72L34-L64 HydrophobicContact CD1-CD2 4.1Å; L34-L64 HydrophobicContact CD2-CD1 4.08Å; A39-L64 HydrophobicContact CB-CD2 4.08Å; A39-L64 HydrophobicContact CB-CG 4.35Å; A42-L64 HydrophobicContact CB-CD2 3.84Å; V48-L64 HydrophobicContact CG1-CD2 3.93Å; V48-L64 HydrophobicContact CG2-CD1 4.04Å; V60-L64 HydrophobicContact CG1-CG 4.43Å; V60-L64 WeakPolarHBondContact O-CG 3.48Å; V60-L64 PolarHBondContact O-N 3.16Å; L61-L64 HydrophobicContact CD2-CD1 4.47Å; L61-L64 PolarHBondContact O-N 3Å; L64-K66 PolarHBondContact O-N 3.04Å; L64-H67 CarbonylContact O-C 3.52Å; L64-H67 WeakPolarHBondContact O-CA 3.42Å; L64-H67 PolarHBondContact O-N 3.17Å; L64-H67 VanDerWaalsContact O-N 3.1Å; L64-G68 PolarHBondContact O-N 2.62Å; L64-V69 HydrophobicContact CB-CB 4.04Å; L64-V69 HydrophobicContact CB-CG1 4.41Å; L64-V69 HydrophobicContact CB-CG2 4.25Å; L64-V69 HydrophobicContact CD2-CG2 4.08Å; L64-V69 WeakPolarHBondContact O-CB 3.46Å; L64-V69 PolarHBondContact O-N 3.33Å; L64-V69 VanDerWaalsContact O-N 3.11Å; L64-I72 HydrophobicContact CD1-CD1 4.1Å; L64-I72 HydrophobicContact CD1-CG1 4.49Å
65K98.4Very high98.3Very high99 Ų9938.4 Ų38.443%0.4319%0.192SC..Hα-helixtrans-61.6-43.1177.3-179.3175.9-179.3172.40112L61 E62 E63 H67 G68 L90 L92L61-K65 WeakPolarHBondContact O-CB 3.42Å; L61-K65 PolarHBondContact O-N 2.88Å; E62-K65 PolarHBondContact O-N 2.93Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.16Å; K65-H67 PolarHBondContact O-N 3.49Å; K65-G68 PolarHBondContact O-N 3.35Å; K65-L90 HydrophobicContact CD-CB 3.91Å; K65-L90 HydrophobicContact CD-CD2 3.78Å; K65-L90 HydrophobicContact CD-CG 4.41Å; K65-L90 VanDerWaalsContact CD-O 3.29Å; K65-L90 WeakPolarHBondContact CD-O 3.41Å; K65-L90 WeakPolarHBondContact CE-O 3.41Å; K65-L90 PolarHBondContact NZ-O 3.4Å; K65-L92 HydrophobicContact CB-CD2 4.5Å
66K98Very high98.2Very high144 Ų14436.2 Ų36.263%0.62618%0.18SC*.Hα-helixtrans-58.5-31.9175.2-70.7173.5-152.7157.60112E62 E63 L64 G68E62-K66 WeakPolarHBondContact O-CG 3.09Å; E62-K66 PolarHBondContact O-N 3.1Å; E63-K66 WeakPolarHBondContact O-CB 3.47Å; E63-K66 PolarHBondContact O-N 3.18Å; E63-K66 WeakPolarHBondContact OE2-CD 3.46Å; E63-K66 IonicContact OE2-NZ 3.92Å; E63-K66 PolarHBondContact OE2-NZ 3.29Å; L64-K66 PolarHBondContact O-N 3.04Å; K66-G68 VanDerWaalsContact C-N 3.32Å
67H97.8Very high97.9Very high42 Ų4236.8 Ų36.819%0.19419%0.185CC..THydrogen-bonded Turntrans-87.37178-75.6-61.9000115.1K40 N43 E63 L64 K65K40-H67 WeakPolarHBondContact CA-NE2 3.43Å; K40-H67 WeakPolarHBondContact CB-NE2 3.42Å; N43-H67 PolarHBondContact ND2-ND1 3.04Å; N43-H67 VanDerWaalsContact ND2-ND1 3.12Å; E63-H67 PolarHBondContact O-CD2 3.13Å; E63-H67 PolarHBondContact O-N 3.34Å; E63-H67 VanDerWaalsContact O-N 3.09Å; E63-H67 IonicContact OE1-CD2 3.85Å; E63-H67 IonicContact OE1-NE2 3.49Å; E63-H67 PolarHBondContact OE1-NE2 3.24Å; L64-H67 CarbonylContact O-C 3.52Å; L64-H67 WeakPolarHBondContact O-CA 3.42Å; L64-H67 PolarHBondContact O-N 3.17Å; L64-H67 VanDerWaalsContact O-N 3.1Å; K65-H67 PolarHBondContact O-N 3.49Å
68G97.8Very high97.3Very high42 Ų4235.6 Ų35.643%0.43318%0.179SC..THydrogen-bonded Turntrans86.98.6172.400000115L64 K65 K66L64-G68 PolarHBondContact O-N 2.62Å; K65-G68 PolarHBondContact O-N 3.35Å; K66-G68 VanDerWaalsContact C-N 3.32Å
69V98.7Very high97Very high5 Ų534.9 Ų34.93%0.0318%0.178CC..  trans-68.4137.5173.61790000109.5A42 V48 L64 L92A42-V69 HydrophobicContact CB-CG2 3.66Å; V48-V69 HydrophobicContact CG1-CG1 4.03Å; V48-V69 HydrophobicContact CG1-CG2 4Å; V48-V69 HydrophobicContact CG2-CG1 4.24Å; L64-V69 HydrophobicContact CB-CB 4.04Å; L64-V69 HydrophobicContact CB-CG1 4.41Å; L64-V69 HydrophobicContact CB-CG2 4.25Å; L64-V69 HydrophobicContact CD2-CG2 4.08Å; L64-V69 WeakPolarHBondContact O-CB 3.46Å; L64-V69 PolarHBondContact O-N 3.33Å; L64-V69 VanDerWaalsContact O-N 3.11Å; V69-L92 WeakPolarHBondContact O-CD2 3.02Å
70K98.2Very high96.5Very high95 Ų9539.2 Ų39.241%0.41320%0.198SC..  trans-115.8-32.6179.1-59.3172.9-172.1162.80112.1E46 K93E46-K70 PolarHBondContact O-N 3.02Å; E46-K70 IonicContact OE2-NZ 3.94Å; E46-K70 PolarHBondContact OE2-NZ 3.08Å; K70-K93 PolarHBondContact O-N 3.43Å
71Y98.5Very high96.2Very high32 Ų3240 Ų4013%0.12520%0.203CC..EExtended strand (participates in β ladder)trans-124.6137.6-170.4-43-46.4000111.9M1 E46 A47 V48 K93 L318M1-Y71 HydrophobicContact SD-CD2 3.73Å; M1-Y71 HydrophobicContact SD-CE2 4.01Å; E46-Y71 PolarHBondContact O-N 3.13Å; E46-Y71 VanDerWaalsContact O-N 3.14Å; A47-Y71 CarbonylContact C-O 3.38Å; A47-Y71 VanDerWaalsContact CA-O 3.26Å; A47-Y71 WeakPolarHBondContact CA-O 3.36Å; A47-Y71 HydrophobicContact CB-CD2 4.21Å; V48-Y71 PolarHBondContact N-O 3.01Å; Y71-K93 HydrophobicContact CD1-CB 4.19Å; Y71-K93 HydrophobicContact CD1-CD 4.38Å; Y71-K93 HydrophobicContact CE1-CD 4.32Å; Y71-L318 HydrophobicContact CD1-CB 4.14Å; Y71-L318 HydrophobicContact CD1-CD1 3.88Å; Y71-L318 HydrophobicContact CD2-CB 4.43Å; Y71-L318 HydrophobicContact CE1-CB 4.19Å; Y71-L318 HydrophobicContact CE2-CB 4.46Å; Y71-L318 HydrophobicContact CG-CB 4.28Å; Y71-L318 HydrophobicContact CG-CD1 3.97Å
72I98.7Very high96.1Very high1 Ų140.6 Ų40.61%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-121.2115.6174.3-57.5176000107.7V48 I50 L61 L64 L74 L92 K93 V94 V95V48-I72 HydrophobicContact CG2-CB 4.24Å; V48-I72 HydrophobicContact CG2-CG1 3.84Å; V48-I72 HydrophobicContact CG2-CG2 4.16Å; I50-I72 HydrophobicContact CD1-CG2 3.73Å; I50-I72 HydrophobicContact CG1-CG2 4.05Å; L61-I72 HydrophobicContact CD2-CD1 3.21Å; L64-I72 HydrophobicContact CD1-CD1 4.1Å; L64-I72 HydrophobicContact CD1-CG1 4.49Å; I72-L74 HydrophobicContact CG2-CD1 4.22Å; I72-L92 HydrophobicContact CD1-CD1 4.19Å; I72-K93 PolarHBondContact N-O 3.05Å; I72-V94 HydrophobicContact CB-CG2 4.3Å; I72-V94 HydrophobicContact CD1-CG2 4.48Å; I72-V94 WeakPolarHBondContact O-CA 3.29Å; I72-V95 PolarHBondContact O-N 3.33Å
73A98.8Very high96.1Very high1 Ų139.6 Ų39.61%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-106.9121.3176.500000110.8V48 C49 I50 V95 T311 L315V48-A73 PolarHBondContact O-N 2.98Å; C49-A73 CarbonylContact C-O 3.48Å; C49-A73 VanDerWaalsContact CA-O 3.25Å; C49-A73 WeakPolarHBondContact CA-O 3.22Å; I50-A73 PolarHBondContact N-O 2.95Å; A73-V95 CarbonylContact C-O 3.54Å; A73-V95 WeakPolarHBondContact CA-O 3.22Å; A73-V95 HydrophobicContact CB-CG2 3.79Å; A73-T311 HydrophobicContact CB-CG2 3.98Å; A73-L315 HydrophobicContact CB-CD1 4.01Å; A73-L315 HydrophobicContact CB-CD2 3.9Å; A73-L315 HydrophobicContact CB-CG 3.88Å
74L98.6Very high96Very high0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-90.1115.9173.4-69.284.4000108.8I50 I72 C76 G78 F79 V82 V94 V95 R96 V97I50-L74 HydrophobicContact CD1-CG 4.21Å; I50-L74 HydrophobicContact CG1-CG 4.02Å; I50-L74 WeakPolarHBondContact O-CA 3.25Å; I72-L74 HydrophobicContact CG2-CD1 4.22Å; L74-C76 PolarHBondContact O-N 3.26Å; L74-G78 WeakPolarHBondContact CD2-O 3.19Å; L74-F79 HydrophobicContact CD2-CB 3.64Å; L74-V82 HydrophobicContact CD1-CG2 4.26Å; L74-V82 HydrophobicContact CD2-CG2 3.98Å; L74-V82 HydrophobicContact CG-CG2 4.43Å; L74-V94 HydrophobicContact CD1-CG1 3.34Å; L74-V95 WeakPolarHBondContact CD1-O 3.45Å; L74-V95 PolarHBondContact N-O 3.09Å; L74-R96 HydrophobicContact CB-CB 3.96Å; L74-R96 WeakPolarHBondContact O-CA 3.49Å; L74-V97 PolarHBondContact O-N 2.9Å
75R97.9Very high96Very high4 Ų444.7 Ų44.72%0.01523%0.232CC..SBendtrans-78.330.9173.870.9-175.1179.5-85.24.5112.7Y6 S7 D12 C49 I50 F51 I307Y6-R75 VanDerWaalsContact O-CZ 3.29Å; Y6-R75 PolarHBondContact O-NH1 3.4Å; Y6-R75 PolarHBondContact O-NH2 3.34Å; S7-R75 PolarHBondContact O-NH2 3Å; D12-R75 IonicContact OD1-NE 3.16Å; D12-R75 PolarHBondContact OD1-NE 3.33Å; D12-R75 VanDerWaalsContact OD1-NE 3.13Å; D12-R75 IonicContact OD2-NE 2.75Å; D12-R75 IonicContact OD2-NH2 3.46Å; C49-R75 PolarHBondContact O-NH1 3.42Å; I50-R75 VanDerWaalsContact C-NH1 3.29Å; I50-R75 PolarHBondContact O-N 3.15Å; F51-R75 HydrophobicContact CB-CG 4.39Å; F51-R75 HydrophobicContact CD2-CG 3.6Å; F51-R75 HydrophobicContact CE2-CG 4.33Å; F51-R75 HydrophobicContact CG-CG 4.38Å; R75-I307 HydrophobicContact CB-CG2 3.95Å; R75-I307 WeakPolarHBondContact O-CG2 3.4Å
76C94.9Very high96Very high0 Ų040 Ų400%021%0.211CC..SBendtrans-148.7167.4-177.152.20000110.8F51 V52 L74 G78 V97 Y100F51-C76 HydrophobicContact CD2-CB 3.69Å; F51-C76 HydrophobicContact CE2-CB 3.55Å; V52-C76 HydrophobicContact CG1-CB 3.84Å; L74-C76 PolarHBondContact O-N 3.26Å; C76-G78 PolarHBondContact SG-O 2.96Å; C76-V97 CarbonylContact C-O 3.49Å; C76-V97 PolarHBondContact O-N 3.44Å; C76-Y100 VanDerWaalsContact CB-OH 3.31Å; C76-Y100 WeakPolarHBondContact CB-OH 3.26Å
77A91.3Very high96Very high14 Ų1433.1 Ų33.112%0.11618%0.181CC..SBendtrans-83.7-34.9175.200000113.5R96 V97 Y100A77-R96 WeakPolarHBondContact O-CD 3.44Å; A77-R96 PolarHBondContact O-NH1 2.89Å; A77-V97 WeakPolarHBondContact CA-O 3.44Å; A77-V97 WeakPolarHBondContact CB-O 3.45Å; A77-V97 PolarHBondContact N-O 3.42Å; A77-Y100 HydrophobicContact CB-CE2 4.15Å; A77-Y100 PolarHBondContact N-OH 2.98Å
78G86.4Confident96Very high13 Ų1338.2 Ų38.213%0.13420%0.203CC..  trans-71.6139.2176.500000111.5L74 C76L74-G78 WeakPolarHBondContact CD2-O 3.19Å; C76-G78 PolarHBondContact SG-O 2.96Å
79F91.7Very high96.1Very high62 Ų6242.4 Ų42.427%0.27221%0.211SC..  trans-132.212.118061.1-90.5000113L74 N81 V82 L84 R96 L328L74-F79 HydrophobicContact CD2-CB 3.64Å; F79-N81 PolarHBondContact O-N 3.32Å; F79-V82 PolarHBondContact O-N 3.06Å; F79-L84 HydrophobicContact CD2-CD1 3.76Å; F79-L84 HydrophobicContact CD2-CG 4.38Å; F79-L84 HydrophobicContact CE2-CD1 3.76Å; F79-R96 VanDerWaalsContact CD1-NH1 3.28Å; F79-R96 VanDerWaalsContact CE1-NH1 3.27Å; F79-L328 HydrophobicContact CB-CD1 3.85Å; F79-L328 HydrophobicContact CD1-CD1 4.15Å; F79-L328 HydrophobicContact CD2-CD1 4.18Å; F79-L328 HydrophobicContact CG-CD1 3.8Å
80N88.1Confident96Very high148 Ų14843.4 Ų43.479%0.79122%0.216SC*.THydrogen-bonded Turntrans-61.1-18.6-177.1-62.5-20.8000113.3V82N80-V82 VanDerWaalsContact C-N 3.28Å
81N91.7Very high96Very high17 Ų1741.8 Ų41.89%0.09123%0.226CC..THydrogen-bonded Turntrans-81.8-3177.562.9-44.5000113.6F51 D54 G56 F79F51-N81 PolarHBondContact O-ND2 2.82Å; D54-N81 WeakPolarHBondContact O-CB 3.29Å; D54-N81 PolarHBondContact O-ND2 3.03Å; G56-N81 CarbonylContact C-O 3.59Å; G56-N81 VanDerWaalsContact C-O 3.28Å; G56-N81 WeakPolarHBondContact CA-O 3.34Å; G56-N81 PolarHBondContact N-O 3.11Å; F79-N81 PolarHBondContact O-N 3.32Å
82V97.2Very high96Very high12 Ų1240.4 Ų40.47%0.07322%0.221CC..BIsolated β-bridgetrans-115126.4-178.5-174.40000111.1I50 G56 L74 F79 N80 L84 V94I50-V82 HydrophobicContact CD1-CG2 3.83Å; G56-V82 WeakPolarHBondContact O-CA 3.25Å; L74-V82 HydrophobicContact CD1-CG2 4.26Å; L74-V82 HydrophobicContact CD2-CG2 3.98Å; L74-V82 HydrophobicContact CG-CG2 4.43Å; F79-V82 PolarHBondContact O-N 3.06Å; N80-V82 VanDerWaalsContact C-N 3.28Å; V82-L84 HydrophobicContact CB-CD2 4.46Å; V82-L84 HydrophobicContact CG1-CD2 4.09Å; V82-L84 PolarHBondContact O-N 2.97Å; V82-L84 VanDerWaalsContact O-N 3.12Å; V82-V94 HydrophobicContact CG1-CG1 4.39Å; V82-V94 HydrophobicContact CG1-CG2 4.3Å
83D97.7Very high96Very high55 Ų5543.9 Ų43.929%0.29424%0.236SC..  trans-7792.7171.2-176.2-17.1000109.6G56 L61 D85 A86 A87G56-D83 PolarHBondContact O-N 3.41Å; L61-D83 HydrophobicContact CD1-CB 4.16Å; L61-D83 VanDerWaalsContact CD1-O 3.26Å; L61-D83 WeakPolarHBondContact CD1-O 3.49Å; D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 2.73Å; D83-D85 PolarHBondContact OD1-N 2.91Å; D83-A86 HydrophobicContact CB-CB 3.93Å; D83-A86 PolarHBondContact O-N 3Å; D83-A86 WeakPolarHBondContact OD1-CB 3.33Å; D83-A86 PolarHBondContact OD1-N 3.28Å; D83-A86 WeakPolarHBondContact OD2-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.28Å; D83-A87 PolarHBondContact O-N 2.96Å
84L98Very high96Very high36 Ų3643.9 Ų43.919%0.18824%0.236CC..Hα-helixtrans-65.3-33.2-177-64.2-177.5000112.7F79 V82 A87 K88 V94 L328 V329F79-L84 HydrophobicContact CD2-CD1 3.76Å; F79-L84 HydrophobicContact CD2-CG 4.38Å; F79-L84 HydrophobicContact CE2-CD1 3.76Å; V82-L84 HydrophobicContact CB-CD2 4.46Å; V82-L84 HydrophobicContact CG1-CD2 4.09Å; V82-L84 PolarHBondContact O-N 2.97Å; V82-L84 VanDerWaalsContact O-N 3.12Å; L84-A87 PolarHBondContact O-N 3.08Å; L84-K88 WeakPolarHBondContact O-CB 3.44Å; L84-K88 PolarHBondContact O-N 3.5Å; L84-V94 HydrophobicContact CD2-CB 4.16Å; L84-V94 HydrophobicContact CD2-CG1 4.03Å; L84-V94 HydrophobicContact CD2-CG2 4.26Å; L84-L328 HydrophobicContact CD1-CB 4.2Å; L84-L328 HydrophobicContact CD1-CD1 4.34Å; L84-L328 HydrophobicContact CD2-CB 4.03Å; L84-L328 HydrophobicContact CD2-CD1 4.09Å; L84-V329 HydrophobicContact CB-CG1 3.95Å; L84-V329 HydrophobicContact CD2-CG2 4.37Å
85D98Very high96Very high117 Ų11743.9 Ų43.963%0.62624%0.236SC*.Hα-helixtrans-67.3-45.1178-71.7-32.3000110.3D83 K88 E89D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 2.73Å; D83-D85 PolarHBondContact OD1-N 2.91Å; D85-K88 PolarHBondContact O-N 3.33Å; D85-E89 WeakPolarHBondContact O-CG 3.25Å; D85-E89 PolarHBondContact O-N 2.97Å
86A98.4Very high96Very high0 Ų046.8 Ų46.80%025%0.247CC..Hα-helixtrans-62.6-43.417300000112.3R58 L61 D83 K88 E89 L90R58-A86 HydrophobicContact CB-CB 3.78Å; R58-A86 HydrophobicContact CG-CB 4Å; R58-A86 VanDerWaalsContact CZ-CB 3.46Å; L61-A86 HydrophobicContact CD1-CB 3.91Å; D83-A86 HydrophobicContact CB-CB 3.93Å; D83-A86 PolarHBondContact O-N 3Å; D83-A86 WeakPolarHBondContact OD1-CB 3.33Å; D83-A86 PolarHBondContact OD1-N 3.28Å; D83-A86 WeakPolarHBondContact OD2-CB 3.29Å; A86-K88 VanDerWaalsContact C-N 3.3Å; A86-K88 PolarHBondContact O-N 2.67Å; A86-E89 PolarHBondContact O-N 2.87Å; A86-L90 VanDerWaalsContact O-CB 3.27Å; A86-L90 WeakPolarHBondContact O-CB 3.44Å; A86-L90 WeakPolarHBondContact O-CD1 3.33Å; A86-L90 WeakPolarHBondContact O-CG 3.27Å; A86-L90 PolarHBondContact O-N 3.2Å
87A98.5Very high96.1Very high0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-57.7-44.6177.700000111.3L61 D83 L84 L90 G91 L92 V94 V329L61-A87 HydrophobicContact CD1-CB 4.01Å; D83-A87 WeakPolarHBondContact O-CB 3.28Å; D83-A87 PolarHBondContact O-N 2.96Å; L84-A87 PolarHBondContact O-N 3.08Å; A87-L90 CarbonylContact O-C 3.57Å; A87-L90 PolarHBondContact O-N 2.89Å; A87-G91 PolarHBondContact O-N 2.83Å; A87-L92 HydrophobicContact CB-CB 4.27Å; A87-L92 PolarHBondContact O-N 2.99Å; A87-V94 HydrophobicContact CB-CG2 3.7Å; A87-V329 HydrophobicContact CB-CG2 3.85Å
88K98.1Very high96.1Very high148 Ų14849.3 Ų49.364%0.64326%0.262SS*.Hα-helixtrans-62.3-47.4176.2-174.6178.3-179.8178.40112.8L84 D85 A86 L90 G91 V329L84-K88 WeakPolarHBondContact O-CB 3.44Å; L84-K88 PolarHBondContact O-N 3.5Å; D85-K88 PolarHBondContact O-N 3.33Å; A86-K88 VanDerWaalsContact C-N 3.3Å; A86-K88 PolarHBondContact O-N 2.67Å; K88-L90 PolarHBondContact O-N 2.88Å; K88-G91 PolarHBondContact O-N 2.84Å; K88-V329 HydrophobicContact CB-CB 4.15Å; K88-V329 HydrophobicContact CB-CG1 4.21Å
89E98.2Very high96.3Very high131 Ų13151.5 Ų51.561%0.61228%0.279SS*.Hα-helixtrans-60-36.2176-73.7173.1-168.200112.3R58 D85 A86 G91R58-E89 IonicContact CZ-OE2 3.13Å; R58-E89 VanDerWaalsContact CZ-OE2 3.24Å; R58-E89 IonicContact NH1-OE2 2.74Å; R58-E89 PolarHBondContact NH1-OE2 2.98Å; R58-E89 IonicContact NH2-OE1 3.77Å; R58-E89 PolarHBondContact NH2-OE1 3.27Å; R58-E89 IonicContact NH2-OE2 2.73Å; R58-E89 PolarHBondContact NH2-OE2 2.91Å; D85-E89 WeakPolarHBondContact O-CG 3.25Å; D85-E89 PolarHBondContact O-N 2.97Å; A86-E89 PolarHBondContact O-N 2.87Å; E89-G91 VanDerWaalsContact C-N 3.26Å; E89-G91 PolarHBondContact O-N 3.42Å
90L98.2Very high96.2Very high26 Ų2649.8 Ų49.814%0.13627%0.271CS..Hα-helixtrans-78.8-8.6177.9-68.1171.2000112.5L61 E62 K65 A86 A87 K88 L92L61-L90 HydrophobicContact CB-CD1 3.55Å; E62-L90 HydrophobicContact CG-CD1 3.92Å; E62-L90 HydrophobicContact CG-CD2 4Å; K65-L90 HydrophobicContact CD-CB 3.91Å; K65-L90 HydrophobicContact CD-CD2 3.78Å; K65-L90 HydrophobicContact CD-CG 4.41Å; K65-L90 VanDerWaalsContact CD-O 3.29Å; K65-L90 WeakPolarHBondContact CD-O 3.41Å; K65-L90 WeakPolarHBondContact CE-O 3.41Å; K65-L90 PolarHBondContact NZ-O 3.4Å; A86-L90 VanDerWaalsContact O-CB 3.27Å; A86-L90 WeakPolarHBondContact O-CB 3.44Å; A86-L90 WeakPolarHBondContact O-CD1 3.33Å; A86-L90 WeakPolarHBondContact O-CG 3.27Å; A86-L90 PolarHBondContact O-N 3.2Å; A87-L90 CarbonylContact O-C 3.57Å; A87-L90 PolarHBondContact O-N 2.89Å; K88-L90 PolarHBondContact O-N 2.88Å; L90-L92 HydrophobicContact CB-CD1 4.04Å; L90-L92 HydrophobicContact CB-CG 4.09Å; L90-L92 HydrophobicContact CD1-CD1 4.18Å; L90-L92 PolarHBondContact O-N 3.18Å
91G97.6Very high96.5Very high60 Ų6045 Ų4562%0.61925%0.245SC*.THydrogen-bonded Turntrans67.225.4-17600000112.9A87 K88 E89A87-G91 PolarHBondContact O-N 2.83Å; K88-G91 PolarHBondContact O-N 2.84Å; E89-G91 VanDerWaalsContact C-N 3.26Å; E89-G91 PolarHBondContact O-N 3.42Å
92L98.2Very high96.8Very high3 Ų345.3 Ų45.32%0.01625%0.248CC..  trans-86.6134.5171.2-66.8169.1000108.5L61 K65 V69 I72 A87 L90L61-L92 HydrophobicContact CB-CD1 3.92Å; L61-L92 HydrophobicContact CD2-CD1 4.14Å; K65-L92 HydrophobicContact CB-CD2 4.5Å; V69-L92 WeakPolarHBondContact O-CD2 3.02Å; I72-L92 HydrophobicContact CD1-CD1 4.19Å; A87-L92 HydrophobicContact CB-CB 4.27Å; A87-L92 PolarHBondContact O-N 2.99Å; L90-L92 HydrophobicContact CB-CD1 4.04Å; L90-L92 HydrophobicContact CB-CG 4.09Å; L90-L92 HydrophobicContact CD1-CD1 4.18Å; L90-L92 PolarHBondContact O-N 3.18Å
93K98.2Very high96.8Very high75 Ų7548.5 Ų48.533%0.32626%0.262SS..EExtended strand (participates in β ladder)trans-92.7135.9174.3-63.7-176163.1-121.70110.6K70 Y71 I72 L318 E327 V329K70-K93 PolarHBondContact O-N 3.43Å; Y71-K93 HydrophobicContact CD1-CB 4.19Å; Y71-K93 HydrophobicContact CD1-CD 4.38Å; Y71-K93 HydrophobicContact CE1-CD 4.32Å; I72-K93 PolarHBondContact N-O 3.05Å; K93-L318 HydrophobicContact CB-CD1 4.03Å; K93-L318 HydrophobicContact CB-CD2 4.49Å; K93-L318 HydrophobicContact CD-CD1 4.5Å; K93-L318 HydrophobicContact CD-CD2 3.76Å; K93-E327 WeakPolarHBondContact CD-OE1 3.48Å; K93-E327 WeakPolarHBondContact CE-OE1 3.43Å; K93-E327 IonicContact NZ-OE1 2.76Å; K93-E327 PolarHBondContact NZ-OE1 3.33Å; K93-E327 IonicContact NZ-OE2 2.85Å; K93-V329 WeakPolarHBondContact CA-O 3.32Å
94V98.5Very high96.9Very high0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-119.6125.1-178.6-174.20000109.8I72 L74 V82 L84 A87 E327 L328 V329I72-V94 HydrophobicContact CB-CG2 4.3Å; I72-V94 HydrophobicContact CD1-CG2 4.48Å; I72-V94 WeakPolarHBondContact O-CA 3.29Å; L74-V94 HydrophobicContact CD1-CG1 3.34Å; V82-V94 HydrophobicContact CG1-CG1 4.39Å; V82-V94 HydrophobicContact CG1-CG2 4.3Å; L84-V94 HydrophobicContact CD2-CB 4.16Å; L84-V94 HydrophobicContact CD2-CG1 4.03Å; L84-V94 HydrophobicContact CD2-CG2 4.26Å; A87-V94 HydrophobicContact CB-CG2 3.7Å; V94-E327 CarbonylContact O-C 3.59Å; V94-E327 WeakPolarHBondContact O-CA 3.36Å; V94-L328 HydrophobicContact CB-CB 4.43Å; V94-L328 HydrophobicContact CG1-CD1 4.16Å; V94-L328 PolarHBondContact O-N 2.87Å; V94-V329 HydrophobicContact CB-CG2 3.84Å; V94-V329 HydrophobicContact CG2-CG2 3.59Å; V94-V329 PolarHBondContact N-O 3.48Å; V94-V329 VanDerWaalsContact N-O 3.08Å
95V98.5Very high96.8Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-126153.4178.4-68.80000110.8I72 A73 L74 N314 L318 C324 N326 E327I72-V95 PolarHBondContact O-N 3.33Å; A73-V95 CarbonylContact C-O 3.54Å; A73-V95 WeakPolarHBondContact CA-O 3.22Å; A73-V95 HydrophobicContact CB-CG2 3.79Å; L74-V95 WeakPolarHBondContact CD1-O 3.45Å; L74-V95 PolarHBondContact N-O 3.09Å; V95-N314 HydrophobicContact CB-CB 3.92Å; V95-N314 HydrophobicContact CG1-CB 4.32Å; V95-N314 HydrophobicContact CG2-CB 3.73Å; V95-L318 HydrophobicContact CG1-CD1 3.7Å; V95-L318 HydrophobicContact CG1-CD2 4.26Å; V95-L318 HydrophobicContact CG1-CG 4.11Å; V95-L318 HydrophobicContact CG2-CD1 4.13Å; V95-C324 HydrophobicContact CG1-CB 4.3Å; V95-N326 WeakPolarHBondContact CA-O 3.33Å; V95-E327 HydrophobicContact CG1-CB 4.17Å
96R98.2Very high96.9Very high66 Ų6639 Ų3925%0.24921%0.212CC..EExtended strand (participates in β ladder)trans-138.1171.6-179.968.3166.5176.6170.7-4.3114.2L74 A77 F79 N314 N326 L328L74-R96 HydrophobicContact CB-CB 3.96Å; L74-R96 WeakPolarHBondContact O-CA 3.49Å; A77-R96 WeakPolarHBondContact O-CD 3.44Å; A77-R96 PolarHBondContact O-NH1 2.89Å; F79-R96 VanDerWaalsContact CD1-NH1 3.28Å; F79-R96 VanDerWaalsContact CE1-NH1 3.27Å; R96-N314 PolarHBondContact O-ND2 3.43Å; R96-N326 PolarHBondContact N-O 3.25Å; R96-N326 VanDerWaalsContact O-CB 3.29Å; R96-N326 WeakPolarHBondContact O-CB 3.16Å; R96-L328 HydrophobicContact CG-CD1 4.3Å; R96-L328 HydrophobicContact CG-CD2 4.44Å; R96-L328 HydrophobicContact CG-CG 4.42Å
97V97.4Very high96.9Very high2 Ų244.5 Ų44.51%0.01224%0.238CC..  trans-87.6112.2162.9-179.80000108.1L74 C76 A77 A99 I307 T310 T311L74-V97 PolarHBondContact O-N 2.9Å; C76-V97 CarbonylContact C-O 3.49Å; C76-V97 PolarHBondContact O-N 3.44Å; A77-V97 WeakPolarHBondContact CA-O 3.44Å; A77-V97 WeakPolarHBondContact CB-O 3.45Å; A77-V97 PolarHBondContact N-O 3.42Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 WeakPolarHBondContact CG1-O 3.41Å; V97-A99 PolarHBondContact O-N 3.42Å; V97-I307 HydrophobicContact CG1-CG1 4.29Å; V97-I307 HydrophobicContact CG2-CG2 4.16Å; V97-T310 HydrophobicContact CB-CG2 4.43Å; V97-T310 HydrophobicContact CG1-CG2 4.35Å; V97-T310 HydrophobicContact CG2-CG2 4.06Å; V97-T311 WeakPolarHBondContact CG2-OG1 3.38Å
98P91.8Very high96.9Very high65 Ų6546.2 Ų46.242%0.42225%0.246SC..  trans-69.7-27.9-166.728.5-37.2000113.9N326P98-N326 WeakPolarHBondContact CD-OD1 3.44Å; P98-N326 WeakPolarHBondContact CG-OD1 3.38Å
99A90.1Very high96.9Very high58 Ų5839.2 Ų39.248%0.47922%0.215SC..  trans-152.5146.7179.500000110.3V97V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 WeakPolarHBondContact CG1-O 3.41Å; V97-A99 PolarHBondContact O-N 3.42Å
100Y90.4Very high97Very high27 Ų2733.8 Ų33.811%0.10619%0.191CC..  trans-74.9163.8166.4-55.7-59.6000110.6C76 A77 P102 F298 I307C76-Y100 VanDerWaalsContact CB-OH 3.31Å; C76-Y100 WeakPolarHBondContact CB-OH 3.26Å; A77-Y100 HydrophobicContact CB-CE2 4.15Å; A77-Y100 PolarHBondContact N-OH 2.98Å; Y100-P102 WeakPolarHBondContact O-CD 3.42Å; Y100-F298 HydrophobicContact CD1-CB 3.81Å; Y100-F298 HydrophobicContact CD1-CG 4.11Å; Y100-F298 HydrophobicContact CE1-CB 4.36Å; Y100-F298 HydrophobicContact CE1-CD1 4.28Å; Y100-F298 HydrophobicContact CE1-CG 4.17Å; Y100-F298 HydrophobicContact CG-CB 3.89Å; Y100-I307 HydrophobicContact CD1-CD1 3.92Å; Y100-I307 HydrophobicContact CD1-CG1 4.34Å; Y100-I307 HydrophobicContact CE1-CD1 4.13Å
101D94.5Very high97Very high47 Ų4734.1 Ų34.125%0.25120%0.2SC..  trans-58.8119.1173-174.4-82.4000110E103 A104 V105 A303D101-E103 VanDerWaalsContact C-N 3.32Å; D101-E103 PolarHBondContact O-N 3.11Å; D101-E103 WeakPolarHBondContact OD1-CB 3.14Å; D101-E103 PolarHBondContact OD1-N 3.46Å; D101-A104 HydrophobicContact CB-CB 3.97Å; D101-A104 PolarHBondContact O-N 2.94Å; D101-A104 PolarHBondContact OD1-N 2.81Å; D101-V105 WeakPolarHBondContact O-CG2 3.48Å; D101-V105 PolarHBondContact O-N 2.88Å; D101-A303 HydrophobicContact CB-CB 3.8Å
102P96.9Very high97Very high24 Ų2431.5 Ų31.516%0.15617%0.172CC..Hα-helixtrans-71-30.5-171.422.8-25.4000112.7Y100 A106 K154 I155Y100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-A106 VanDerWaalsContact O-CB 3.3Å; P102-A106 WeakPolarHBondContact O-CB 3.16Å; P102-A106 PolarHBondContact O-N 3.45Å; P102-A106 VanDerWaalsContact O-N 3.1Å; P102-K154 HydrophobicContact CB-CB 3.88Å; P102-K154 HydrophobicContact CG-CB 4.14Å; P102-I155 HydrophobicContact CB-CG1 3.95Å
103E98.4Very high97Very high78 Ų7831.4 Ų31.436%0.36417%0.171SC..Hα-helixtrans-66.1-49.2174.5-70.566.8-147.200110.5D101 V105 A106 E107 R161D101-E103 VanDerWaalsContact C-N 3.32Å; D101-E103 PolarHBondContact O-N 3.11Å; D101-E103 WeakPolarHBondContact OD1-CB 3.14Å; D101-E103 PolarHBondContact OD1-N 3.46Å; E103-V105 VanDerWaalsContact C-N 3.32Å; E103-V105 PolarHBondContact O-N 3.36Å; E103-A106 PolarHBondContact O-N 3.17Å; E103-E107 VanDerWaalsContact O-CB 3.32Å; E103-E107 WeakPolarHBondContact O-CB 3.48Å; E103-E107 VanDerWaalsContact O-CG 3.26Å; E103-E107 WeakPolarHBondContact O-CG 3.49Å; E103-E107 PolarHBondContact O-N 3.4Å; E103-R161 IonicContact OE1-NH1 2.9Å
104A98.1Very high97.1Very high4 Ų430 Ų303%0.03317%0.166CC..Hα-helixtrans-55-46.2178.100000112.4D101 E107 H108 A297 T300 A303D101-A104 HydrophobicContact CB-CB 3.97Å; D101-A104 PolarHBondContact O-N 2.94Å; D101-A104 PolarHBondContact OD1-N 2.81Å; A104-E107 PolarHBondContact O-N 2.93Å; A104-H108 WeakPolarHBondContact O-CB 3.43Å; A104-H108 PolarHBondContact O-N 3.27Å; A104-A297 CarbonylContact C-O 3.6Å; A104-A297 VanDerWaalsContact C-O 3.26Å; A104-T300 HydrophobicContact CB-CG2 3.97Å; A104-A303 HydrophobicContact CB-CB 3.98Å
105V97.9Very high97.1Very high5 Ų531.6 Ų31.63%0.0318%0.176CC..Hα-helixtrans-68.5-40.2-179.2177.60000111.9D101 E103 A109 I155 A297D101-V105 WeakPolarHBondContact O-CG2 3.48Å; D101-V105 PolarHBondContact O-N 2.88Å; E103-V105 VanDerWaalsContact C-N 3.32Å; E103-V105 PolarHBondContact O-N 3.36Å; V105-A109 PolarHBondContact O-N 3.02Å; V105-A109 VanDerWaalsContact O-N 3.16Å; V105-I155 HydrophobicContact CB-CD1 4.32Å; V105-I155 HydrophobicContact CB-CG2 3.99Å; V105-I155 HydrophobicContact CG1-CD1 4.09Å; V105-I155 HydrophobicContact CG1-CG2 3.68Å; V105-A297 WeakPolarHBondContact CA-O 3.44Å; V105-A297 HydrophobicContact CB-CB 4.27Å; V105-A297 HydrophobicContact CG1-CB 3.92Å; V105-A297 HydrophobicContact CG2-CB 4.16Å; V105-A297 PolarHBondContact N-O 3.04Å
106A98.5Very high97Very high0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-67.9-42176.900000111.9P102 E103 H108 A109 I110 I155 A158 M159 I162P102-A106 VanDerWaalsContact O-CB 3.3Å; P102-A106 WeakPolarHBondContact O-CB 3.16Å; P102-A106 PolarHBondContact O-N 3.45Å; P102-A106 VanDerWaalsContact O-N 3.1Å; E103-A106 PolarHBondContact O-N 3.17Å; A106-H108 VanDerWaalsContact C-N 3.34Å; A106-H108 PolarHBondContact O-N 3.06Å; A106-A109 WeakPolarHBondContact O-CB 3.28Å; A106-A109 PolarHBondContact O-N 2.99Å; A106-I110 WeakPolarHBondContact O-CG1 3.42Å; A106-I110 PolarHBondContact O-N 3.46Å; A106-I155 HydrophobicContact CB-CG2 4.45Å; A106-A158 HydrophobicContact CB-CB 3.79Å; A106-M159 HydrophobicContact CB-CB 4.14Å; A106-I162 HydrophobicContact CB-CD1 4.29Å
107E98.7Very high97.1Very high115 Ų11528.6 Ų28.654%0.53717%0.165SC..Hα-helixtrans-63.4-39.6176.8-74.3177.1-169.400111.8E103 A104 I110 G111 I162E103-E107 VanDerWaalsContact O-CB 3.32Å; E103-E107 WeakPolarHBondContact O-CB 3.48Å; E103-E107 VanDerWaalsContact O-CG 3.26Å; E103-E107 WeakPolarHBondContact O-CG 3.49Å; E103-E107 PolarHBondContact O-N 3.4Å; A104-E107 PolarHBondContact O-N 2.93Å; E107-I110 PolarHBondContact O-N 3.46Å; E107-G111 PolarHBondContact O-N 2.91Å; E107-I162 HydrophobicContact CG-CD1 3.93Å
108H98.7Very high97.1Very high37 Ų3735.3 Ų35.317%0.17119%0.19CC..Hα-helixtrans-61.4-45.4173.1-172.675.4000111.8A104 A106 I110 G111 M112 D258 T293 A297A104-H108 WeakPolarHBondContact O-CB 3.43Å; A104-H108 PolarHBondContact O-N 3.27Å; A106-H108 VanDerWaalsContact C-N 3.34Å; A106-H108 PolarHBondContact O-N 3.06Å; H108-I110 VanDerWaalsContact C-N 3.32Å; H108-I110 PolarHBondContact O-N 2.93Å; H108-G111 CarbonylContact O-C 3.51Å; H108-G111 WeakPolarHBondContact O-CA 3.41Å; H108-G111 PolarHBondContact O-N 3.27Å; H108-M112 WeakPolarHBondContact O-CG 3.27Å; H108-M112 PolarHBondContact O-N 3.37Å; H108-D258 IonicContact CD2-OD1 3.13Å; H108-D258 IonicContact NE2-OD1 3.87Å; H108-D258 PolarHBondContact NE2-OD1 2.8Å; H108-T293 PolarHBondContact NE2-OG1 3.49Å; H108-A297 HydrophobicContact CB-CB 3.94Å
109A98.7Very high97.4Very high0 Ų034.4 Ų34.40%018%0.179CC..Hα-helixtrans-57.9-44175.800000111.8V105 A106 M112 M113 M159 V230 T232V105-A109 PolarHBondContact O-N 3.02Å; V105-A109 VanDerWaalsContact O-N 3.16Å; A106-A109 WeakPolarHBondContact O-CB 3.28Å; A106-A109 PolarHBondContact O-N 2.99Å; A109-M112 WeakPolarHBondContact O-CB 3.29Å; A109-M112 PolarHBondContact O-N 3.24Å; A109-M113 WeakPolarHBondContact O-CG 3.26Å; A109-M113 PolarHBondContact O-N 3.13Å; A109-M159 HydrophobicContact CB-CE 4.4Å; A109-M159 HydrophobicContact CB-SD 4.24Å; A109-V230 HydrophobicContact CB-CG1 4.01Å; A109-T232 HydrophobicContact CB-CG2 3.82Å
110I98.7Very high97.7Very high18 Ų1835.7 Ų35.79%0.09218%0.177CC..Hα-helixtrans-62.6-41173.5-67.2-72.3000111.5A106 E107 H108 M112 M113 M114 M159 I162 L163 F166A106-I110 WeakPolarHBondContact O-CG1 3.42Å; A106-I110 PolarHBondContact O-N 3.46Å; E107-I110 PolarHBondContact O-N 3.46Å; H108-I110 VanDerWaalsContact C-N 3.32Å; H108-I110 PolarHBondContact O-N 2.93Å; I110-M112 VanDerWaalsContact C-N 3.32Å; I110-M112 PolarHBondContact O-N 2.85Å; I110-M113 HydrophobicContact CD1-SD 4.2Å; I110-M113 WeakPolarHBondContact O-CB 3.23Å; I110-M113 PolarHBondContact O-N 3.06Å; I110-M114 HydrophobicContact CG2-CG 4.38Å; I110-M114 WeakPolarHBondContact O-CG 3.3Å; I110-M114 PolarHBondContact O-N 3Å; I110-M159 HydrophobicContact CD1-CE 3.37Å; I110-M159 HydrophobicContact CD1-SD 3.58Å; I110-M159 VanDerWaalsContact CD1-SD 3.58Å; I110-M159 HydrophobicContact CG1-CE 3.9Å; I110-M159 HydrophobicContact CG1-SD 3.57Å; I110-M159 VanDerWaalsContact CG1-SD 3.57Å; I110-I162 HydrophobicContact CB-CG2 4.47Å; I110-I162 HydrophobicContact CD1-CB 4.2Å; I110-I162 HydrophobicContact CD1-CG2 3.8Å; I110-I162 HydrophobicContact CG1-CB 4.1Å; I110-I162 HydrophobicContact CG1-CD1 4.01Å; I110-I162 HydrophobicContact CG1-CG2 3.72Å; I110-I162 HydrophobicContact CG2-CG2 4.13Å; I110-L163 HydrophobicContact CD1-CD2 3.84Å; I110-L163 HydrophobicContact CD1-CG 4.15Å; I110-F166 HydrophobicContact CD1-CE2 4.45Å; I110-F166 HydrophobicContact CG2-CE2 4.02Å; I110-F166 HydrophobicContact CG2-CZ 4.42Å
111G98.7Very high98Very high33 Ų3336.4 Ų36.434%0.3418%0.181SC..Hα-helixtrans-57.9-43.5174.700000112.2E107 H108 T115E107-G111 PolarHBondContact O-N 2.91Å; H108-G111 CarbonylContact O-C 3.51Å; H108-G111 WeakPolarHBondContact O-CA 3.41Å; H108-G111 PolarHBondContact O-N 3.27Å; G111-T115 WeakPolarHBondContact O-CB 3.38Å; G111-T115 PolarHBondContact O-N 2.95Å; G111-T115 PolarHBondContact O-OG1 3.48Å
112M98.5Very high98Very high4 Ų436.8 Ų36.82%0.0218%0.179CC..Hα-helixtrans-63-47.8174.1-63.2-171.787.300111.3H108 A109 I110 M114 T115 L116 V230 T232 M257 D258 L291 T293H108-M112 WeakPolarHBondContact O-CG 3.27Å; H108-M112 PolarHBondContact O-N 3.37Å; A109-M112 WeakPolarHBondContact O-CB 3.29Å; A109-M112 PolarHBondContact O-N 3.24Å; I110-M112 VanDerWaalsContact C-N 3.32Å; I110-M112 PolarHBondContact O-N 2.85Å; M112-M114 PolarHBondContact O-N 2.66Å; M112-T115 PolarHBondContact O-N 3.29Å; M112-L116 WeakPolarHBondContact O-CB 3.31Å; M112-L116 WeakPolarHBondContact O-CG 3.35Å; M112-L116 PolarHBondContact O-N 3.28Å; M112-V230 HydrophobicContact CB-CG1 4.46Å; M112-V230 HydrophobicContact SD-CG1 4.4Å; M112-T232 HydrophobicContact SD-CG2 4.31Å; M112-M257 VanDerWaalsContact CE-N 3.3Å; M112-D258 HydrophobicContact SD-CB 4.27Å; M112-L291 HydrophobicContact CB-CD2 4.29Å; M112-L291 HydrophobicContact CE-CB 4.41Å; M112-L291 HydrophobicContact CE-CD2 4.1Å; M112-L291 HydrophobicContact CE-CG 4Å; M112-L291 VanDerWaalsContact CE-O 3.28Å; M112-L291 WeakPolarHBondContact CE-O 3.46Å; M112-L291 HydrophobicContact CG-CD2 4.3Å; M112-T293 HydrophobicContact CE-CG2 4.23Å
113M98.7Very high98Very high1 Ų137 Ų371%0.00518%0.182CC..Hα-helixtrans-55.4-49.5177.9-70.9-178.1178.600111.7A109 I110 L116 N117 M159 L163 V200 M228 V230A109-M113 WeakPolarHBondContact O-CG 3.26Å; A109-M113 PolarHBondContact O-N 3.13Å; I110-M113 HydrophobicContact CD1-SD 4.2Å; I110-M113 WeakPolarHBondContact O-CB 3.23Å; I110-M113 PolarHBondContact O-N 3.06Å; M113-L116 PolarHBondContact O-N 3.31Å; M113-N117 WeakPolarHBondContact O-CB 3.43Å; M113-N117 PolarHBondContact O-N 2.85Å; M113-M159 HydrophobicContact CE-CE 3.12Å; M113-M159 HydrophobicContact SD-CE 3.39Å; M113-M159 WeakPolarHBondContact SD-CE 3.25Å; M113-L163 HydrophobicContact SD-CD2 4.42Å; M113-V200 HydrophobicContact CE-CG1 3.45Å; M113-V200 VanDerWaalsContact CE-CG1 3.45Å; M113-V200 HydrophobicContact CG-CG1 4.33Å; M113-V200 HydrophobicContact SD-CG1 3.64Å; M113-M228 HydrophobicContact CB-SD 3.92Å; M113-M228 HydrophobicContact CG-SD 4.01Å; M113-V230 HydrophobicContact CE-CB 3.86Å; M113-V230 HydrophobicContact CE-CG2 3.85Å; M113-V230 HydrophobicContact CG-CB 4.38Å; M113-V230 HydrophobicContact CG-CG2 3.49Å; M113-V230 VanDerWaalsContact CG-CG2 3.49Å
114M98.7Very high98Very high45 Ų4540.6 Ų40.622%0.22219%0.193CC..Hα-helixtrans-71.2-35.5-177.3-66.4-53.8-65.200112.2I110 M112 R118 M142 F166I110-M114 HydrophobicContact CG2-CG 4.38Å; I110-M114 WeakPolarHBondContact O-CG 3.3Å; I110-M114 PolarHBondContact O-N 3Å; M112-M114 PolarHBondContact O-N 2.66Å; M114-R118 HydrophobicContact CE-CG 4.28Å; M114-R118 WeakPolarHBondContact O-CB 3.5Å; M114-R118 PolarHBondContact O-N 2.83Å; M114-M142 HydrophobicContact SD-CG 3.84Å; M114-M142 HydrophobicContact SD-SD 4.32Å; M114-F166 HydrophobicContact CE-CE1 4.22Å; M114-F166 HydrophobicContact CG-CZ 4.2Å; M114-F166 HydrophobicContact SD-CE1 4.01Å; M114-F166 HydrophobicContact SD-CZ 3.97Å
115T98.4Very high97.9Very high35 Ų3545.6 Ų45.622%0.21522%0.216CC..Hα-helixtrans-63.8-41.8174.4-65.40000112G111 M112 R119 I120 H121 L291G111-T115 WeakPolarHBondContact O-CB 3.38Å; G111-T115 PolarHBondContact O-N 2.95Å; G111-T115 PolarHBondContact O-OG1 3.48Å; M112-T115 PolarHBondContact O-N 3.29Å; T115-R119 CarbonylContact O-C 3.53Å; T115-R119 VanDerWaalsContact O-CA 3.3Å; T115-R119 WeakPolarHBondContact O-CA 3.41Å; T115-R119 PolarHBondContact O-N 2.84Å; T115-R119 VanDerWaalsContact O-N 3.11Å; T115-I120 HydrophobicContact CG2-CB 4.32Å; T115-I120 PolarHBondContact O-N 3.12Å; T115-H121 HydrophobicContact CG2-CB 3.86Å; T115-H121 PolarHBondContact O-ND1 2.97Å; T115-H121 VanDerWaalsContact O-ND1 3.09Å; T115-L291 HydrophobicContact CG2-CD2 3.8Å
116L98.2Very high97.9Very high1 Ų148 Ų481%0.00523%0.225CC..Hα-helixtrans-70.3-48.7175-75.6164.8000111.3M112 M113 R118 R119 M228 L291M112-L116 WeakPolarHBondContact O-CB 3.31Å; M112-L116 WeakPolarHBondContact O-CG 3.35Å; M112-L116 PolarHBondContact O-N 3.28Å; M113-L116 PolarHBondContact O-N 3.31Å; L116-R118 PolarHBondContact O-N 2.88Å; L116-R119 VanDerWaalsContact O-CD 3.25Å; L116-R119 WeakPolarHBondContact O-CD 3.24Å; L116-R119 PolarHBondContact O-N 2.84Å; L116-R119 PolarHBondContact O-NE 3Å; L116-R119 PolarHBondContact O-NH1 2.86Å; L116-M228 HydrophobicContact CB-CE 3.78Å; L116-L291 HydrophobicContact CD1-CB 4.23Å; L116-L291 HydrophobicContact CD2-CB 3.68Å; L116-L291 HydrophobicContact CG-CB 3.94Å; L116-L291 HydrophobicContact CG-CD2 4.43Å
117N98.4Very high97.8Very high1 Ų151 Ų511%0.00524%0.243CC..Hα-helixtrans-55.7-53-179.6-179.4-9.1000111M113 R119 G139 F140 M142 M228M113-N117 WeakPolarHBondContact O-CB 3.43Å; M113-N117 PolarHBondContact O-N 2.85Å; N117-R119 VanDerWaalsContact C-N 3.3Å; N117-R119 WeakPolarHBondContact O-CD 3.24Å; N117-R119 PolarHBondContact O-N 3Å; N117-R119 PolarHBondContact O-NH1 2.95Å; N117-G139 WeakPolarHBondContact O-CA 3.41Å; N117-G139 VanDerWaalsContact OD1-CA 3.27Å; N117-G139 WeakPolarHBondContact OD1-CA 3.47Å; N117-F140 HydrophobicContact CB-CE1 4.21Å; N117-F140 PolarHBondContact ND2-O 2.85Å; N117-F140 PolarHBondContact OD1-N 2.79Å; N117-F140 PolarHBondContact OD1-O 3.24Å; N117-M142 PolarHBondContact ND2-SD 2.83Å; N117-M142 VanDerWaalsContact ND2-SD 3.43Å; N117-M228 HydrophobicContact CB-CE 3.97Å
118R98Very high97.8Very high143 Ų14352.9 Ų52.954%0.5425%0.245SC..THydrogen-bonded Turntrans-91.15.4-174.9-51.8-52.8-59.5-81.7-2.2113.3M114 L116 I120M114-R118 HydrophobicContact CE-CG 4.28Å; M114-R118 WeakPolarHBondContact O-CB 3.5Å; M114-R118 PolarHBondContact O-N 2.83Å; L116-R118 PolarHBondContact O-N 2.88Å; R118-I120 HydrophobicContact CB-CD1 4.24Å; R118-I120 HydrophobicContact CB-CG1 3.74Å; R118-I120 PolarHBondContact O-N 3.34Å; R118-I120 VanDerWaalsContact O-N 3.17Å
119R97.4Very high97.7Very high47 Ų4756.6 Ų56.618%0.17727%0.266CS..THydrogen-bonded Turntrans49.739.5-177.2-75.377.2-171.6162.23.8111.6T115 L116 N117 H121 R122 A123 L137 T138 S254T115-R119 CarbonylContact O-C 3.53Å; T115-R119 VanDerWaalsContact O-CA 3.3Å; T115-R119 WeakPolarHBondContact O-CA 3.41Å; T115-R119 PolarHBondContact O-N 2.84Å; T115-R119 VanDerWaalsContact O-N 3.11Å; L116-R119 VanDerWaalsContact O-CD 3.25Å; L116-R119 WeakPolarHBondContact O-CD 3.24Å; L116-R119 PolarHBondContact O-N 2.84Å; L116-R119 PolarHBondContact O-NE 3Å; L116-R119 PolarHBondContact O-NH1 2.86Å; N117-R119 VanDerWaalsContact C-N 3.3Å; N117-R119 WeakPolarHBondContact O-CD 3.24Å; N117-R119 PolarHBondContact O-N 3Å; N117-R119 PolarHBondContact O-NH1 2.95Å; R119-H121 VanDerWaalsContact C-N 3.29Å; R119-H121 PolarHBondContact O-N 3.21Å; R119-R122 HydrophobicContact CB-CB 4.31Å; R119-R122 WeakPolarHBondContact O-CB 3.49Å; R119-R122 PolarHBondContact O-N 3.2Å; R119-A123 PolarHBondContact O-N 3.29Å; R119-L137 HydrophobicContact CB-CB 4.39Å; R119-L137 HydrophobicContact CB-CD2 3.68Å; R119-L137 HydrophobicContact CG-CD2 4.49Å; R119-T138 PolarHBondContact NH1-O 3.03Å; R119-S254 PolarHBondContact NH2-OG 2.97Å
120I97.9Very high97.6Very high85 Ų8559.9 Ų59.944%0.43629%0.294SS..Hα-helixtrans-60.6-42.5-173.8-55.2-179.6000110.5T115 R118 R122 A123 Y124T115-I120 HydrophobicContact CG2-CB 4.32Å; T115-I120 PolarHBondContact O-N 3.12Å; R118-I120 HydrophobicContact CB-CD1 4.24Å; R118-I120 HydrophobicContact CB-CG1 3.74Å; R118-I120 PolarHBondContact O-N 3.34Å; R118-I120 VanDerWaalsContact O-N 3.17Å; I120-R122 VanDerWaalsContact C-N 3.27Å; I120-R122 PolarHBondContact O-N 3.36Å; I120-A123 WeakPolarHBondContact O-CB 3.28Å; I120-A123 PolarHBondContact O-N 2.95Å; I120-A123 VanDerWaalsContact O-N 3.16Å; I120-Y124 PolarHBondContact O-N 3.23Å
121H95.7Very high97.5Very high42 Ų4262.7 Ų62.719%0.19431%0.309CS..Hα-helixtrans-55.5-38.9175.359.7-72.7000112.7T115 R119 Q125T115-H121 HydrophobicContact CG2-CB 3.86Å; T115-H121 PolarHBondContact O-ND1 2.97Å; T115-H121 VanDerWaalsContact O-ND1 3.09Å; R119-H121 VanDerWaalsContact C-N 3.29Å; R119-H121 PolarHBondContact O-N 3.21Å; H121-Q125 WeakPolarHBondContact O-CG 3.23Å; H121-Q125 PolarHBondContact O-N 3.33Å
122R95.4Very high97.5Very high55 Ų5568.4 Ų68.421%0.20832%0.324CS..Hα-helixtrans-76.5-41.2174.6-69.4167.8168.2-98-59.9112.6R119 I120 Y124 Q125 R126 L137 H288R119-R122 HydrophobicContact CB-CB 4.31Å; R119-R122 WeakPolarHBondContact O-CB 3.49Å; R119-R122 PolarHBondContact O-N 3.2Å; I120-R122 VanDerWaalsContact C-N 3.27Å; I120-R122 PolarHBondContact O-N 3.36Å; R122-Y124 VanDerWaalsContact C-N 3.26Å; R122-Y124 PolarHBondContact O-N 2.51Å; R122-Q125 PolarHBondContact O-N 2.93Å; R122-R126 WeakPolarHBondContact O-CG 3.39Å; R122-R126 PolarHBondContact O-N 3.04Å; R122-R126 VanDerWaalsContact O-N 3.1Å; R122-L137 HydrophobicContact CB-CD2 3.83Å; R122-H288 PolarHBondContact NE-O 3.46Å; R122-H288 PolarHBondContact NH2-CD2 2.93Å; R122-H288 VanDerWaalsContact NH2-CD2 3.27Å; R122-H288 PolarHBondContact NH2-CE1 3.13Å; R122-H288 PolarHBondContact NH2-ND1 2.88Å
123A97.5Very high97.5Very high27 Ų2770.5 Ų70.522%0.22334%0.34CS..Hα-helixtrans-56.2-45.8176.500000110.2R119 I120 Q125 R126 T127 L137R119-A123 PolarHBondContact O-N 3.29Å; I120-A123 WeakPolarHBondContact O-CB 3.28Å; I120-A123 PolarHBondContact O-N 2.95Å; I120-A123 VanDerWaalsContact O-N 3.16Å; A123-Q125 PolarHBondContact O-N 3.44Å; A123-R126 PolarHBondContact O-N 2.8Å; A123-R126 VanDerWaalsContact O-N 3.11Å; A123-T127 WeakPolarHBondContact O-CG2 3.34Å; A123-T127 PolarHBondContact O-N 2.98Å; A123-T127 PolarHBondContact O-OG1 3.04Å; A123-T127 VanDerWaalsContact O-OG1 3.13Å; A123-L137 HydrophobicContact CB-CD1 4.03Å
124Y97.8Very high97.4Very high155 Ų15576.8 Ų76.861%0.60837%0.372SS*.Hα-helixtrans-60.3-43.8175.3177.8-107.5000113I120 R122 R126 T127 R128I120-Y124 PolarHBondContact O-N 3.23Å; R122-Y124 VanDerWaalsContact C-N 3.26Å; R122-Y124 PolarHBondContact O-N 2.51Å; Y124-R126 PolarHBondContact O-N 2.92Å; Y124-T127 PolarHBondContact O-N 3.31Å; Y124-R128 WeakPolarHBondContact O-CB 3.46Å; Y124-R128 WeakPolarHBondContact O-CG 3.33Å; Y124-R128 PolarHBondContact O-N 3.4Å
125Q96Very high97.3Very high109 Ų10981.9 Ų81.951%0.50940%0.396SS..Hα-helixtrans-59.8-29.5175-74.8-17918.600113.2H121 R122 A123 R128H121-Q125 WeakPolarHBondContact O-CG 3.23Å; H121-Q125 PolarHBondContact O-N 3.33Å; R122-Q125 PolarHBondContact O-N 2.93Å; A123-Q125 PolarHBondContact O-N 3.44Å; Q125-R128 WeakPolarHBondContact O-CG 3.33Å; Q125-R128 PolarHBondContact O-NE 2.89Å
126R96.7Very high97.2Very high56 Ų5682.9 Ų82.921%0.21141%0.413CS..Hα-helixtrans-81.8-51.2176.3-65178.9-179.81751.3111.7R122 A123 Y124 R128 D129 A130 N131 S133 E135R122-R126 WeakPolarHBondContact O-CG 3.39Å; R122-R126 PolarHBondContact O-N 3.04Å; R122-R126 VanDerWaalsContact O-N 3.1Å; A123-R126 PolarHBondContact O-N 2.8Å; A123-R126 VanDerWaalsContact O-N 3.11Å; Y124-R126 PolarHBondContact O-N 2.92Å; R126-R128 VanDerWaalsContact C-N 3.3Å; R126-R128 PolarHBondContact O-N 2.85Å; R126-D129 CarbonylContact O-C 3.46Å; R126-D129 PolarHBondContact O-N 3.34Å; R126-D129 VanDerWaalsContact O-N 3.09Å; R126-A130 PolarHBondContact O-N 3.37Å; R126-N131 CarbonylContact C-O 3.21Å; R126-N131 HydrophobicContact CB-CB 3.97Å; R126-N131 VanDerWaalsContact CB-O 3.22Å; R126-N131 WeakPolarHBondContact CB-O 3.47Å; R126-N131 WeakPolarHBondContact O-CB 3.11Å; R126-N131 PolarHBondContact O-N 2.61Å; R126-S133 WeakPolarHBondContact CD-O 3.41Å; R126-S133 PolarHBondContact NH1-O 2.9Å; R126-E135 VanDerWaalsContact CZ-O 3.23Å; R126-E135 PolarHBondContact NH1-O 3.32Å; R126-E135 PolarHBondContact NH2-O 3.34Å
127T97.9Very high97.1Very high63 Ų6383.9 Ų83.939%0.38742%0.418SS..Hα-helixtrans-71.4-25.2-171.558.30000112.9A123 Y124 D129 A130 N131 F132A123-T127 WeakPolarHBondContact O-CG2 3.34Å; A123-T127 PolarHBondContact O-N 2.98Å; A123-T127 PolarHBondContact O-OG1 3.04Å; A123-T127 VanDerWaalsContact O-OG1 3.13Å; Y124-T127 PolarHBondContact O-N 3.31Å; T127-D129 PolarHBondContact O-N 3.13Å; T127-A130 PolarHBondContact O-N 3.3Å; T127-A130 VanDerWaalsContact O-N 3.08Å; T127-N131 PolarHBondContact N-O 3.1Å; T127-F132 HydrophobicContact CG2-CD1 4.01Å; T127-F132 HydrophobicContact CG2-CE1 4.16Å
128R97.4Very high97.1Very high153 Ų15389.6 Ų89.658%0.57745%0.453SS*.THydrogen-bonded Turntrans-61.2-27.9171.375.5-176.9-172.3172.50.9113Y124 Q125 R126Y124-R128 WeakPolarHBondContact O-CB 3.46Å; Y124-R128 WeakPolarHBondContact O-CG 3.33Å; Y124-R128 PolarHBondContact O-N 3.4Å; Q125-R128 WeakPolarHBondContact O-CG 3.33Å; Q125-R128 PolarHBondContact O-NE 2.89Å; R126-R128 VanDerWaalsContact C-N 3.3Å; R126-R128 PolarHBondContact O-N 2.85Å
129D97.5Very high97.1Very high115 Ų11584.1 Ų84.162%0.61544%0.441SS*.THydrogen-bonded Turntrans-106.422.9177.6-61.4-48.8000111R126 T127 N131R126-D129 CarbonylContact O-C 3.46Å; R126-D129 PolarHBondContact O-N 3.34Å; R126-D129 VanDerWaalsContact O-N 3.09Å; T127-D129 PolarHBondContact O-N 3.13Å; D129-N131 PolarHBondContact O-N 2.85Å; D129-N131 VanDerWaalsContact O-N 3.1Å
130A96Very high97.2Very high70 Ų7084.7 Ų84.758%0.57945%0.445SS*.THydrogen-bonded Turntrans55.723.2-179.700000115.6R126 T127 F132R126-A130 PolarHBondContact O-N 3.37Å; T127-A130 PolarHBondContact O-N 3.3Å; T127-A130 VanDerWaalsContact O-N 3.08Å; A130-F132 HydrophobicContact CB-CE2 4.26Å; A130-F132 VanDerWaalsContact O-CD2 3.27Å; A130-F132 WeakPolarHBondContact O-CD2 3.43Å; A130-F132 WeakPolarHBondContact O-CE2 3.49Å
131N97.8Very high97.2Very high77 Ų7785.3 Ų85.341%0.41245%0.453SS..  trans-87.6118.4168.9177.90.4000109.9R126 T127 D129 S133R126-N131 CarbonylContact C-O 3.21Å; R126-N131 HydrophobicContact CB-CB 3.97Å; R126-N131 VanDerWaalsContact CB-O 3.22Å; R126-N131 WeakPolarHBondContact CB-O 3.47Å; R126-N131 WeakPolarHBondContact O-CB 3.11Å; R126-N131 PolarHBondContact O-N 2.61Å; T127-N131 PolarHBondContact N-O 3.1Å; D129-N131 PolarHBondContact O-N 2.85Å; D129-N131 VanDerWaalsContact O-N 3.1Å; N131-S133 WeakPolarHBondContact OD1-CB 3.3Å; N131-S133 PolarHBondContact OD1-N 3.2Å
132F97.7Very high97.4Very high152 Ų15283.7 Ų83.767%0.66745%0.446SS*.  trans-10713.3-178.5-60.5-78.4000113.8T127 A130 L134T127-F132 HydrophobicContact CG2-CD1 4.01Å; T127-F132 HydrophobicContact CG2-CE1 4.16Å; A130-F132 HydrophobicContact CB-CE2 4.26Å; A130-F132 VanDerWaalsContact O-CD2 3.27Å; A130-F132 WeakPolarHBondContact O-CD2 3.43Å; A130-F132 WeakPolarHBondContact O-CE2 3.49Å; F132-L134 PolarHBondContact O-N 2.85Å
133S98Very high97.5Very high48 Ų4889.2 Ų89.234%0.33647%0.468SS..  trans-61.5134.4175.5175.80000111.1R126 N131 E135R126-S133 WeakPolarHBondContact CD-O 3.41Å; R126-S133 PolarHBondContact NH1-O 2.9Å; N131-S133 WeakPolarHBondContact OD1-CB 3.3Å; N131-S133 PolarHBondContact OD1-N 3.2Å; S133-E135 PolarHBondContact OG-N 2.64Å
134L97.8Very high97.6Very high133 Ų13390.6 Ų90.670%0.69649%0.485SS*.  trans-99.10.1178.9-58.3-176.7000113.5F132 G136 L137F132-L134 PolarHBondContact O-N 2.85Å; L134-G136 PolarHBondContact O-N 2.89Å; L134-L137 HydrophobicContact CD2-CD1 4.18Å; L134-L137 WeakPolarHBondContact O-CB 3.42Å; L134-L137 PolarHBondContact O-N 2.92Å
135E97.1Very high97.6Very high153 Ų15386.1 Ų86.172%0.71547%0.468SS*.THydrogen-bonded Turntrans-59129.1-178.3-68.1-172.9174.800111.3R126 S133 L137R126-E135 VanDerWaalsContact CZ-O 3.23Å; R126-E135 PolarHBondContact NH1-O 3.32Å; R126-E135 PolarHBondContact NH2-O 3.34Å; S133-E135 PolarHBondContact OG-N 2.64Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 2.8Å
136G95.1Very high97.8Very high55 Ų5581.7 Ų81.757%0.56745%0.449SS*.THydrogen-bonded Turntrans74.58.8-177.800000115.6L134L134-G136 PolarHBondContact O-N 2.89Å
137L96.9Very high97.9Very high23 Ų2379 Ų7912%0.1244%0.439CS..  trans-100.22.8176.3-52.1-174.9000113.7R119 R122 A123 L134 E135 G139R119-L137 HydrophobicContact CB-CB 4.39Å; R119-L137 HydrophobicContact CB-CD2 3.68Å; R119-L137 HydrophobicContact CG-CD2 4.49Å; R122-L137 HydrophobicContact CB-CD2 3.83Å; A123-L137 HydrophobicContact CB-CD1 4.03Å; L134-L137 HydrophobicContact CD2-CD1 4.18Å; L134-L137 WeakPolarHBondContact O-CB 3.42Å; L134-L137 PolarHBondContact O-N 2.92Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 2.8Å; L137-G139 PolarHBondContact O-N 2.83Å
138T98Very high97.9Very high121 Ų12176.1 Ų76.174%0.74242%0.421SS*.  trans-59.4122.7177.3-54.20000110.4R119R119-T138 PolarHBondContact NH1-O 3.03Å
139G98Very high98Very high28 Ų2868.9 Ų68.929%0.28939%0.394SS..  trans-102.5-163.9173.100000112.2N117 L137N117-G139 WeakPolarHBondContact O-CA 3.41Å; N117-G139 VanDerWaalsContact OD1-CA 3.27Å; N117-G139 WeakPolarHBondContact OD1-CA 3.47Å; L137-G139 PolarHBondContact O-N 2.83Å
140F98.6Very high98Very high58 Ų5863.5 Ų63.525%0.25437%0.365SS..  trans-126.1150171.163.8-89.8000110.7N117 M142 K145 V200 M228N117-F140 HydrophobicContact CB-CE1 4.21Å; N117-F140 PolarHBondContact ND2-O 2.85Å; N117-F140 PolarHBondContact OD1-N 2.79Å; N117-F140 PolarHBondContact OD1-O 3.24Å; F140-M142 HydrophobicContact CD2-SD 4.2Å; F140-M142 HydrophobicContact CE2-SD 3.33Å; F140-M142 WeakPolarHBondContact CE2-SD 3.29Å; F140-M142 HydrophobicContact CZ-SD 3.78Å; F140-M142 PolarHBondContact O-N 2.95Å; F140-K145 HydrophobicContact CD2-CG 4.11Å; F140-K145 HydrophobicContact CE2-CG 4.33Å; F140-V200 HydrophobicContact CE2-CG2 4.18Å; F140-V200 HydrophobicContact CZ-CG2 3.94Å; F140-M228 HydrophobicContact CE1-CE 3.89Å; F140-M228 HydrophobicContact CZ-CE 4.14Å; F140-M228 HydrophobicContact CZ-SD 4.43Å
141T98.8Very high98.2Very high99 Ų9960.4 Ų60.461%0.60734%0.34SS*.  trans-71.8123.7171.9-57.20000109.6K145T141-K145 VanDerWaalsContact O-CG 3.24Å; T141-K145 WeakPolarHBondContact O-CG 3.26Å; T141-K145 PolarHBondContact O-NZ 3.41Å
142M98.8Very high98.2Very high8 Ų857 Ų574%0.03932%0.322CS..  trans-66.1-40.8177.3-62.1-66.4-79.400111.8M114 N117 F140 G144 K145 F166 M168 V200M114-M142 HydrophobicContact SD-CG 3.84Å; M114-M142 HydrophobicContact SD-SD 4.32Å; N117-M142 PolarHBondContact ND2-SD 2.83Å; N117-M142 VanDerWaalsContact ND2-SD 3.43Å; F140-M142 HydrophobicContact CD2-SD 4.2Å; F140-M142 HydrophobicContact CE2-SD 3.33Å; F140-M142 WeakPolarHBondContact CE2-SD 3.29Å; F140-M142 HydrophobicContact CZ-SD 3.78Å; F140-M142 PolarHBondContact O-N 2.95Å; M142-G144 PolarHBondContact O-N 2.96Å; M142-K145 VanDerWaalsContact O-CB 3.24Å; M142-K145 WeakPolarHBondContact O-CB 3.44Å; M142-K145 WeakPolarHBondContact O-CG 3.14Å; M142-K145 PolarHBondContact O-N 2.76Å; M142-F166 HydrophobicContact CB-CB 4.3Å; M142-F166 HydrophobicContact CB-CD1 3.89Å; M142-F166 HydrophobicContact CB-CG 4.3Å; M142-F166 HydrophobicContact CG-CD1 4.19Å; M142-F166 HydrophobicContact CG-CE1 4.42Å; M142-M168 HydrophobicContact CB-SD 4.34Å; M142-M168 HydrophobicContact CE-CE 3.99Å; M142-M168 HydrophobicContact CE-SD 3.65Å; M142-M168 WeakPolarHBondContact O-CG 3.49Å; M142-V200 HydrophobicContact CE-CG2 4.31Å
143Y98.7Very high98.1Very high171 Ų17151.7 Ų51.767%0.67131%0.31SS*.THydrogen-bonded Turntrans-51.9130.8178.3-179.9-94.3000111.8K145 F166Y143-K145 PolarHBondContact O-N 2.83Å; Y143-F166 WeakPolarHBondContact CA-O 3.39Å; Y143-F166 WeakPolarHBondContact CD2-O 3.34Å
144G98.6Very high98Very high56 Ų5657.2 Ų57.258%0.57733%0.328SS*.THydrogen-bonded Turntrans74.41.6-178.900000115.7M142 G167M142-G144 PolarHBondContact O-N 2.96Å; G144-G167 PolarHBondContact N-O 2.7Å
145K98.8Very high98Very high60 Ų6053.3 Ų53.326%0.26131%0.307SS..  trans-80.6166.9168.9-62.6-66.5178.9-57.80111.1F140 T141 M142 Y143 M168 R169 D199F140-K145 HydrophobicContact CD2-CG 4.11Å; F140-K145 HydrophobicContact CE2-CG 4.33Å; T141-K145 VanDerWaalsContact O-CG 3.24Å; T141-K145 WeakPolarHBondContact O-CG 3.26Å; T141-K145 PolarHBondContact O-NZ 3.41Å; M142-K145 VanDerWaalsContact O-CB 3.24Å; M142-K145 WeakPolarHBondContact O-CB 3.44Å; M142-K145 WeakPolarHBondContact O-CG 3.14Å; M142-K145 PolarHBondContact O-N 2.76Å; Y143-K145 PolarHBondContact O-N 2.83Å; K145-M168 HydrophobicContact CB-CE 3.66Å; K145-M168 CarbonylContact O-C 3.55Å; K145-M168 VanDerWaalsContact O-CA 3.26Å; K145-M168 WeakPolarHBondContact O-CA 3.33Å; K145-M168 WeakPolarHBondContact O-CB 3.43Å; K145-R169 PolarHBondContact O-N 2.85Å; K145-D199 WeakPolarHBondContact CA-OD2 3.21Å; K145-D199 HydrophobicContact CB-CB 4.08Å; K145-D199 WeakPolarHBondContact CB-OD2 3.42Å; K145-D199 HydrophobicContact CD-CB 4.2Å; K145-D199 WeakPolarHBondContact CD-OD2 3.33Å; K145-D199 HydrophobicContact CG-CB 4.49Å
146T98.9Very high98.1Very high16 Ų1646 Ų4610%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-100.7126.8175.5-54.20000110.4R169 L171 E197 D199 V200T146-R169 CarbonylContact C-O 3.26Å; T146-R169 WeakPolarHBondContact CA-O 3.14Å; T146-R169 HydrophobicContact CG2-CB 4.43Å; T146-R169 HydrophobicContact CG2-CG 4.35Å; T146-L171 HydrophobicContact CG2-CD1 3.57Å; T146-L171 HydrophobicContact CG2-CG 3.68Å; T146-E197 WeakPolarHBondContact CB-O 3.11Å; T146-D199 PolarHBondContact N-OD2 3.38Å; T146-D199 WeakPolarHBondContact O-CB 3.42Å; T146-D199 PolarHBondContact O-N 2.68Å; T146-V200 PolarHBondContact O-N 3.27Å
147A98.9Very high98.2Very high1 Ų143.7 Ų43.71%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-108.4127.9172.300000110.4L163 M168 R169 L170 L171 V200A147-L163 HydrophobicContact CB-CD1 3.76Å; A147-L163 HydrophobicContact CB-CD2 4.13Å; A147-L163 HydrophobicContact CB-CG 4.39Å; A147-M168 HydrophobicContact CB-CB 4.44Å; A147-M168 HydrophobicContact CB-CE 3.71Å; A147-M168 HydrophobicContact CB-SD 4Å; A147-R169 PolarHBondContact N-O 2.98Å; A147-L170 HydrophobicContact CB-CD2 4.44Å; A147-L171 PolarHBondContact O-N 3.11Å; A147-V200 CarbonylContact C-O 3.28Å; A147-V200 WeakPolarHBondContact CA-O 3.34Å
148G98.9Very high98.3Very high1 Ų142.9 Ų42.91%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-102.6121172.700000111.1L171 S198 V200 I201 S202G148-L171 WeakPolarHBondContact CA-O 3.1Å; G148-S198 VanDerWaalsContact CA-OG 3.29Å; G148-S198 WeakPolarHBondContact CA-OG 3.41Å; G148-S198 PolarHBondContact N-OG 2.74Å; G148-V200 PolarHBondContact N-O 2.88Å; G148-I201 CarbonylContact O-C 3.54Å; G148-I201 VanDerWaalsContact O-CA 3.28Å; G148-I201 WeakPolarHBondContact O-CA 3.31Å; G148-S202 PolarHBondContact O-N 3.06Å
149V98.9Very high98.4Very high1 Ų137.1 Ų37.11%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-109120.7176.3171.30000109.9G151 M159 L160 L163 L171 A172 F173V149-G151 WeakPolarHBondContact CG1-O 3.39Å; V149-M159 HydrophobicContact CG2-CG 4.26Å; V149-L160 HydrophobicContact CB-CD1 4.48Å; V149-L160 HydrophobicContact CB-CD2 3.9Å; V149-L160 HydrophobicContact CB-CG 4.14Å; V149-L160 HydrophobicContact CG1-CD1 4.32Å; V149-L160 HydrophobicContact CG1-CG 4.23Å; V149-L160 HydrophobicContact CG2-CD2 3.6Å; V149-L160 HydrophobicContact CG2-CG 3.94Å; V149-L163 HydrophobicContact CG2-CD1 3.79Å; V149-L171 PolarHBondContact N-O 2.88Å; V149-A172 CarbonylContact O-C 3.56Å; V149-A172 WeakPolarHBondContact O-CA 3.49Å; V149-F173 PolarHBondContact O-N 3.35Å
150I98.8Very high98.4Very high3 Ų335.8 Ų35.82%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-100.8112.4177.9-61.1178.2000108.2F173 L191 L194 F195 I201 S202 L203 H204 C205 L214 L215I150-F173 HydrophobicContact CG2-CD1 4.24Å; I150-L191 HydrophobicContact CD1-CD2 3.84Å; I150-L191 HydrophobicContact CG1-CD2 4.22Å; I150-L194 HydrophobicContact CD1-CD2 4.1Å; I150-L194 HydrophobicContact CG1-CD1 3.97Å; I150-L194 HydrophobicContact CG1-CD2 4.05Å; I150-F195 HydrophobicContact CD1-CE1 3.84Å; I150-I201 HydrophobicContact CD1-CG2 4.04Å; I150-I201 HydrophobicContact CG1-CG2 4.48Å; I150-S202 PolarHBondContact N-O 3.28Å; I150-L203 HydrophobicContact CB-CD2 3.85Å; I150-L203 HydrophobicContact CD1-CD2 3.7Å; I150-L203 HydrophobicContact CG1-CD2 4.22Å; I150-L203 HydrophobicContact CG2-CD2 4.2Å; I150-H204 CarbonylContact O-C 3.59Å; I150-H204 WeakPolarHBondContact O-CA 3.33Å; I150-H204 PolarHBondContact O-N 3.2Å; I150-C205 PolarHBondContact O-N 2.8Å; I150-L214 HydrophobicContact CD1-CD2 4.31Å; I150-L214 HydrophobicContact CG2-CD2 3.74Å; I150-L215 HydrophobicContact CD1-CD2 4.37Å
151G98.3Very high98.4Very high5 Ų538.7 Ų38.75%0.05220%0.204CC..  trans92.9119.1-170.500000111.9V149 G156 F173V149-G151 WeakPolarHBondContact CG1-O 3.39Å; G151-G156 WeakPolarHBondContact O-CA 3.49Å; G151-F173 PolarHBondContact N-O 2.67Å
152T98.3Very high98.4Very high5 Ų536.3 Ų36.33%0.03119%0.188CC..  trans-118.831.5-176.362.80000112.2V157 L160 A172 D174 Y188T152-V157 WeakPolarHBondContact O-CG2 3.39Å; T152-L160 HydrophobicContact CG2-CD1 4.14Å; T152-A172 HydrophobicContact CG2-CB 3.64Å; T152-D174 HydrophobicContact CG2-CB 4.21Å; T152-D174 PolarHBondContact N-OD2 3.05Å; T152-D174 WeakPolarHBondContact OG1-CB 3.14Å; T152-D174 VanDerWaalsContact OG1-CG 3.3Å; T152-D174 PolarHBondContact OG1-OD2 3.27Å; T152-Y188 VanDerWaalsContact CB-OH 3.31Å; T152-Y188 WeakPolarHBondContact CB-OH 3.47Å; T152-Y188 HydrophobicContact CG2-CE1 3.72Å; T152-Y188 WeakPolarHBondContact CG2-OH 3.41Å; T152-Y188 PolarHBondContact OG1-OH 3.16Å
153G96.1Very high98.4Very high40 Ų4036 Ų3641%0.41219%0.186SC..SBendtrans-64-169.9162.300000112I155 G156 V157G153-I155 VanDerWaalsContact C-N 3.32Å; G153-I155 PolarHBondContact O-N 3.32Å; G153-G156 PolarHBondContact O-N 3.48Å; G153-G156 VanDerWaalsContact O-N 3.16Å; G153-V157 WeakPolarHBondContact O-CG2 3.41Å; G153-V157 PolarHBondContact O-N 3.48Å
154K96.6Very high98.4Very high165 Ų16532.5 Ų32.572%0.71717%0.174SC*.Hα-helixtrans-53.5-45.7-175.5-65.2-177.9178.1-179.90113.3P102 A158P102-K154 HydrophobicContact CB-CB 3.88Å; P102-K154 HydrophobicContact CG-CB 4.14Å; K154-A158 PolarHBondContact O-N 3.43Å
155I97.4Very high98.4Very high51 Ų5133.3 Ų33.326%0.26218%0.183SC..Hα-helixtrans-66.6-46.9179.9-53.9173.6000110.7P102 V105 A106 G153 V157 A158 M159 H204P102-I155 HydrophobicContact CB-CG1 3.95Å; V105-I155 HydrophobicContact CB-CD1 4.32Å; V105-I155 HydrophobicContact CB-CG2 3.99Å; V105-I155 HydrophobicContact CG1-CD1 4.09Å; V105-I155 HydrophobicContact CG1-CG2 3.68Å; A106-I155 HydrophobicContact CB-CG2 4.45Å; G153-I155 VanDerWaalsContact C-N 3.32Å; G153-I155 PolarHBondContact O-N 3.32Å; I155-V157 VanDerWaalsContact C-N 3.33Å; I155-V157 PolarHBondContact O-N 2.88Å; I155-A158 WeakPolarHBondContact O-CB 3.45Å; I155-A158 PolarHBondContact O-N 3.38Å; I155-M159 WeakPolarHBondContact O-CB 3.47Å; I155-M159 PolarHBondContact O-N 3.33Å; I155-H204 WeakPolarHBondContact CG2-ND1 3.38Å
156G98.3Very high98.4Very high0 Ų033.5 Ų33.50%018%0.184CC..Hα-helixtrans-60.6-40.3178.300000112.8G151 G153 M159 L160G151-G156 WeakPolarHBondContact O-CA 3.49Å; G153-G156 PolarHBondContact O-N 3.48Å; G153-G156 VanDerWaalsContact O-N 3.16Å; G156-M159 WeakPolarHBondContact O-CB 3.48Å; G156-M159 PolarHBondContact O-N 3.39Å; G156-L160 WeakPolarHBondContact O-CB 3.09Å; G156-L160 WeakPolarHBondContact O-CD1 3.5Å; G156-L160 VanDerWaalsContact O-CG 3.23Å; G156-L160 WeakPolarHBondContact O-CG 3.17Å; G156-L160 PolarHBondContact O-N 3.24Å
157V98.5Very high98.4Very high6 Ų634 Ų344%0.03619%0.193CC..Hα-helixtrans-66.9-41.8174.6177.10000111.5T152 G153 I155 M159 L160 R161 A180 A181 L184T152-V157 WeakPolarHBondContact O-CG2 3.39Å; G153-V157 WeakPolarHBondContact O-CG2 3.41Å; G153-V157 PolarHBondContact O-N 3.48Å; I155-V157 VanDerWaalsContact C-N 3.33Å; I155-V157 PolarHBondContact O-N 2.88Å; V157-M159 VanDerWaalsContact C-N 3.31Å; V157-M159 PolarHBondContact O-N 3.03Å; V157-L160 PolarHBondContact O-N 3.06Å; V157-R161 WeakPolarHBondContact O-CG 2.95Å; V157-R161 PolarHBondContact O-N 3.38Å; V157-A180 HydrophobicContact CG1-CB 4.06Å; V157-A181 HydrophobicContact CG2-CB 4.42Å; V157-L184 HydrophobicContact CG1-CD1 4.28Å
158A98.6Very high98.3Very high5 Ų534.6 Ų34.64%0.04120%0.195CC..Hα-helixtrans-59.1-43.6174.400000111.4A106 K154 I155 L160 R161 I162A106-A158 HydrophobicContact CB-CB 3.79Å; K154-A158 PolarHBondContact O-N 3.43Å; I155-A158 WeakPolarHBondContact O-CB 3.45Å; I155-A158 PolarHBondContact O-N 3.38Å; A158-L160 PolarHBondContact O-N 2.82Å; A158-R161 WeakPolarHBondContact O-CB 3.43Å; A158-R161 PolarHBondContact O-N 3.31Å; A158-I162 PolarHBondContact O-N 2.72Å
159M98.6Very high98.3Very high0 Ų039.5 Ų39.50%021%0.213CC..Hα-helixtrans-57.8-48.8173.5-176.665.4176.500112.2A106 A109 I110 M113 V149 I155 G156 V157 R161 I162 L163 H204A106-M159 HydrophobicContact CB-CB 4.14Å; A109-M159 HydrophobicContact CB-CE 4.4Å; A109-M159 HydrophobicContact CB-SD 4.24Å; I110-M159 HydrophobicContact CD1-CE 3.37Å; I110-M159 HydrophobicContact CD1-SD 3.58Å; I110-M159 VanDerWaalsContact CD1-SD 3.58Å; I110-M159 HydrophobicContact CG1-CE 3.9Å; I110-M159 HydrophobicContact CG1-SD 3.57Å; I110-M159 VanDerWaalsContact CG1-SD 3.57Å; M113-M159 HydrophobicContact CE-CE 3.12Å; M113-M159 HydrophobicContact SD-CE 3.39Å; M113-M159 WeakPolarHBondContact SD-CE 3.25Å; V149-M159 HydrophobicContact CG2-CG 4.26Å; I155-M159 WeakPolarHBondContact O-CB 3.47Å; I155-M159 PolarHBondContact O-N 3.33Å; G156-M159 WeakPolarHBondContact O-CB 3.48Å; G156-M159 PolarHBondContact O-N 3.39Å; V157-M159 VanDerWaalsContact C-N 3.31Å; V157-M159 PolarHBondContact O-N 3.03Å; M159-R161 VanDerWaalsContact C-N 3.29Å; M159-R161 PolarHBondContact O-N 2.85Å; M159-I162 PolarHBondContact O-N 3.35Å; M159-I162 VanDerWaalsContact O-N 3.12Å; M159-L163 HydrophobicContact CE-CD1 3.92Å; M159-L163 HydrophobicContact CE-CD2 4.09Å; M159-L163 HydrophobicContact CE-CG 4.07Å; M159-L163 HydrophobicContact CG-CD1 3.82Å; M159-L163 HydrophobicContact CG-CG 4.38Å; M159-L163 WeakPolarHBondContact O-CG 3.49Å; M159-L163 PolarHBondContact O-N 2.74Å; M159-L163 HydrophobicContact SD-CD1 4.47Å; M159-H204 WeakPolarHBondContact CG-NE2 3.47Å
160L98.8Very high98.3Very high0 Ų039.9 Ų39.90%022%0.215CC..Hα-helixtrans-59.8-36.5179.3-74.2162.6000112.4V149 T152 G156 V157 A158 I162 L163 K164 L170 A181 L184 V186V149-L160 HydrophobicContact CB-CD1 4.48Å; V149-L160 HydrophobicContact CB-CD2 3.9Å; V149-L160 HydrophobicContact CB-CG 4.14Å; V149-L160 HydrophobicContact CG1-CD1 4.32Å; V149-L160 HydrophobicContact CG1-CG 4.23Å; V149-L160 HydrophobicContact CG2-CD2 3.6Å; V149-L160 HydrophobicContact CG2-CG 3.94Å; T152-L160 HydrophobicContact CG2-CD1 4.14Å; G156-L160 WeakPolarHBondContact O-CB 3.09Å; G156-L160 WeakPolarHBondContact O-CD1 3.5Å; G156-L160 VanDerWaalsContact O-CG 3.23Å; G156-L160 WeakPolarHBondContact O-CG 3.17Å; G156-L160 PolarHBondContact O-N 3.24Å; V157-L160 PolarHBondContact O-N 3.06Å; A158-L160 PolarHBondContact O-N 2.82Å; L160-I162 PolarHBondContact O-N 2.68Å; L160-L163 PolarHBondContact O-N 3.36Å; L160-K164 WeakPolarHBondContact O-CB 3.34Å; L160-K164 PolarHBondContact O-N 2.77Å; L160-L170 HydrophobicContact CD2-CB 4.13Å; L160-L170 HydrophobicContact CD2-CD1 4.33Å; L160-L170 HydrophobicContact CD2-CD2 4.43Å; L160-A181 HydrophobicContact CD1-CB 4.03Å; L160-L184 HydrophobicContact CB-CD1 3.96Å; L160-V186 HydrophobicContact CB-CG2 4.41Å; L160-V186 HydrophobicContact CD1-CG1 4.48Å; L160-V186 HydrophobicContact CD1-CG2 4.04Å; L160-V186 HydrophobicContact CD2-CG1 4.35Å; L160-V186 HydrophobicContact CD2-CG2 3.83Å; L160-V186 HydrophobicContact CG-CG2 4.31Å
161R98.7Very high98.3Very high119 Ų11939.8 Ų39.845%0.44922%0.215SC..Hα-helixtrans-61.3-43.7174.7-68.3178.5-166.6125.6-0.4111.8E103 V157 A158 M159 K164 G165 L184E103-R161 IonicContact OE1-NH1 2.9Å; V157-R161 WeakPolarHBondContact O-CG 2.95Å; V157-R161 PolarHBondContact O-N 3.38Å; A158-R161 WeakPolarHBondContact O-CB 3.43Å; A158-R161 PolarHBondContact O-N 3.31Å; M159-R161 VanDerWaalsContact C-N 3.29Å; M159-R161 PolarHBondContact O-N 2.85Å; R161-K164 WeakPolarHBondContact O-CB 3.48Å; R161-K164 PolarHBondContact O-N 2.76Å; R161-G165 PolarHBondContact O-N 2.97Å; R161-L184 HydrophobicContact CB-CD1 4.46Å; R161-L184 HydrophobicContact CG-CD1 3.56Å; R161-L184 HydrophobicContact CG-CD2 3.89Å; R161-L184 HydrophobicContact CG-CG 4.37Å
162I98.7Very high98.4Very high49 Ų4939.5 Ų39.525%0.25121%0.212SC..Hα-helixtrans-69-45-179.6-56.9165.7000110.2A106 E107 I110 A158 M159 L160 K164 G165 F166A106-I162 HydrophobicContact CB-CD1 4.29Å; E107-I162 HydrophobicContact CG-CD1 3.93Å; I110-I162 HydrophobicContact CB-CG2 4.47Å; I110-I162 HydrophobicContact CD1-CB 4.2Å; I110-I162 HydrophobicContact CD1-CG2 3.8Å; I110-I162 HydrophobicContact CG1-CB 4.1Å; I110-I162 HydrophobicContact CG1-CD1 4.01Å; I110-I162 HydrophobicContact CG1-CG2 3.72Å; I110-I162 HydrophobicContact CG2-CG2 4.13Å; A158-I162 PolarHBondContact O-N 2.72Å; M159-I162 PolarHBondContact O-N 3.35Å; M159-I162 VanDerWaalsContact O-N 3.12Å; L160-I162 PolarHBondContact O-N 2.68Å; I162-K164 VanDerWaalsContact C-N 3.28Å; I162-K164 PolarHBondContact O-N 2.84Å; I162-G165 WeakPolarHBondContact O-CA 3.36Å; I162-G165 PolarHBondContact O-N 2.96Å; I162-F166 HydrophobicContact CG2-CD2 4.22Å; I162-F166 HydrophobicContact CG2-CE2 3.92Å; I162-F166 WeakPolarHBondContact O-CD2 3.15Å; I162-F166 PolarHBondContact O-N 2.93Å; I162-F166 VanDerWaalsContact O-N 3.16Å
163L98.7Very high98.4Very high1 Ų142 Ų421%0.00522%0.223CC..Hα-helixtrans-61.2-35.9176.9-67.4168.6000112.4I110 M113 A147 V149 M159 L160 G165 F166 G167 M168 L170I110-L163 HydrophobicContact CD1-CD2 3.84Å; I110-L163 HydrophobicContact CD1-CG 4.15Å; M113-L163 HydrophobicContact SD-CD2 4.42Å; A147-L163 HydrophobicContact CB-CD1 3.76Å; A147-L163 HydrophobicContact CB-CD2 4.13Å; A147-L163 HydrophobicContact CB-CG 4.39Å; V149-L163 HydrophobicContact CG2-CD1 3.79Å; M159-L163 HydrophobicContact CE-CD1 3.92Å; M159-L163 HydrophobicContact CE-CD2 4.09Å; M159-L163 HydrophobicContact CE-CG 4.07Å; M159-L163 HydrophobicContact CG-CD1 3.82Å; M159-L163 HydrophobicContact CG-CG 4.38Å; M159-L163 WeakPolarHBondContact O-CG 3.49Å; M159-L163 PolarHBondContact O-N 2.74Å; M159-L163 HydrophobicContact SD-CD1 4.47Å; L160-L163 PolarHBondContact O-N 3.36Å; L163-G165 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 3.2Å; L163-F166 WeakPolarHBondContact O-CB 3.32Å; L163-F166 PolarHBondContact O-N 3.42Å; L163-G167 PolarHBondContact O-N 3.06Å; L163-M168 HydrophobicContact CD2-SD 3.61Å; L163-M168 PolarHBondContact O-N 3.2Å; L163-L170 HydrophobicContact CB-CD2 3.57Å
164K98.6Very high98.5Very high98 Ų9841.7 Ų41.743%0.42621%0.212SC..Hα-helixtrans-58.5-43.7169.6-171.1175.2178.4162.50111.4L160 R161 I162 F166 G167 L170 L184L160-K164 WeakPolarHBondContact O-CB 3.34Å; L160-K164 PolarHBondContact O-N 2.77Å; R161-K164 WeakPolarHBondContact O-CB 3.48Å; R161-K164 PolarHBondContact O-N 2.76Å; I162-K164 VanDerWaalsContact C-N 3.28Å; I162-K164 PolarHBondContact O-N 2.84Å; K164-F166 PolarHBondContact O-N 3.25Å; K164-G167 WeakPolarHBondContact O-CA 3.35Å; K164-G167 PolarHBondContact O-N 3.49Å; K164-L170 HydrophobicContact CB-CD1 3.89Å; K164-L170 HydrophobicContact CG-CD1 4.44Å; K164-L184 HydrophobicContact CD-CB 4.2Å; K164-L184 HydrophobicContact CD-CD2 3.94Å; K164-L184 WeakPolarHBondContact CD-O 3.5Å; K164-L184 VanDerWaalsContact CE-O 3.31Å; K164-L184 WeakPolarHBondContact CE-O 3.38Å; K164-L184 PolarHBondContact NZ-O 3.2Å
165G98.5Very high98.5Very high73 Ų7338.4 Ų38.475%0.75321%0.207SC*.Hα-helixtrans-60.5-29.8176.600000113.8R161 I162 L163 G167R161-G165 PolarHBondContact O-N 2.97Å; I162-G165 WeakPolarHBondContact O-CA 3.36Å; I162-G165 PolarHBondContact O-N 2.96Å; L163-G165 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 3.2Å; G165-G167 PolarHBondContact O-N 2.8Å
166F98.6Very high98.5Very high64 Ų6445.1 Ų45.128%0.28123%0.231SC..THydrogen-bonded Turntrans-73.9-10.6170.8-80.4-79.7000114I110 M114 M142 Y143 I162 L163 K164 M168I110-F166 HydrophobicContact CD1-CE2 4.45Å; I110-F166 HydrophobicContact CG2-CE2 4.02Å; I110-F166 HydrophobicContact CG2-CZ 4.42Å; M114-F166 HydrophobicContact CE-CE1 4.22Å; M114-F166 HydrophobicContact CG-CZ 4.2Å; M114-F166 HydrophobicContact SD-CE1 4.01Å; M114-F166 HydrophobicContact SD-CZ 3.97Å; M142-F166 HydrophobicContact CB-CB 4.3Å; M142-F166 HydrophobicContact CB-CD1 3.89Å; M142-F166 HydrophobicContact CB-CG 4.3Å; M142-F166 HydrophobicContact CG-CD1 4.19Å; M142-F166 HydrophobicContact CG-CE1 4.42Å; Y143-F166 WeakPolarHBondContact CA-O 3.39Å; Y143-F166 WeakPolarHBondContact CD2-O 3.34Å; I162-F166 HydrophobicContact CG2-CD2 4.22Å; I162-F166 HydrophobicContact CG2-CE2 3.92Å; I162-F166 WeakPolarHBondContact O-CD2 3.15Å; I162-F166 PolarHBondContact O-N 2.93Å; I162-F166 VanDerWaalsContact O-N 3.16Å; L163-F166 WeakPolarHBondContact O-CB 3.32Å; L163-F166 PolarHBondContact O-N 3.42Å; K164-F166 PolarHBondContact O-N 3.25Å; F166-M168 HydrophobicContact CB-CG 4.11Å; F166-M168 HydrophobicContact CB-SD 4.47Å
167G98.5Very high98.4Very high28 Ų2848.9 Ų48.929%0.28926%0.255SS..THydrogen-bonded Turntrans71.436.8-175.300000113.2G144 L163 K164 G165G144-G167 PolarHBondContact N-O 2.7Å; L163-G167 PolarHBondContact O-N 3.06Å; K164-G167 WeakPolarHBondContact O-CA 3.35Å; K164-G167 PolarHBondContact O-N 3.49Å; G165-G167 PolarHBondContact O-N 2.8Å
168M98.8Very high98.4Very high13 Ų1350 Ų506%0.06426%0.263CS..  trans-85.3153.5173.6-64.7-177.484.400111.4M142 K145 A147 L163 F166 L170 V200M142-M168 HydrophobicContact CB-SD 4.34Å; M142-M168 HydrophobicContact CE-CE 3.99Å; M142-M168 HydrophobicContact CE-SD 3.65Å; M142-M168 WeakPolarHBondContact O-CG 3.49Å; K145-M168 HydrophobicContact CB-CE 3.66Å; K145-M168 CarbonylContact O-C 3.55Å; K145-M168 VanDerWaalsContact O-CA 3.26Å; K145-M168 WeakPolarHBondContact O-CA 3.33Å; K145-M168 WeakPolarHBondContact O-CB 3.43Å; A147-M168 HydrophobicContact CB-CB 4.44Å; A147-M168 HydrophobicContact CB-CE 3.71Å; A147-M168 HydrophobicContact CB-SD 4Å; L163-M168 HydrophobicContact CD2-SD 3.61Å; L163-M168 PolarHBondContact O-N 3.2Å; F166-M168 HydrophobicContact CB-CG 4.11Å; F166-M168 HydrophobicContact CB-SD 4.47Å; M168-L170 HydrophobicContact CB-CD2 4.18Å; M168-V200 HydrophobicContact CE-CB 4.32Å; M168-V200 HydrophobicContact CE-CG2 3.97Å
169R98.8Very high98.3Very high103 Ų10353 Ų5339%0.38929%0.287SS..EExtended strand (participates in β ladder)trans-71.7131.6161.3177.6178.3173.6-143.5-1.1108.2K145 T146 A147 E187 E197K145-R169 PolarHBondContact O-N 2.85Å; T146-R169 CarbonylContact C-O 3.26Å; T146-R169 WeakPolarHBondContact CA-O 3.14Å; T146-R169 HydrophobicContact CG2-CB 4.43Å; T146-R169 HydrophobicContact CG2-CG 4.35Å; A147-R169 PolarHBondContact N-O 2.98Å; R169-E187 IonicContact CZ-OE2 3.57Å; R169-E187 IonicContact NE-OE2 2.8Å; R169-E187 IonicContact NH2-OE1 2.99Å; R169-E187 IonicContact NH2-OE2 3.05Å; R169-E187 PolarHBondContact NH2-OE2 2.99Å; R169-E197 IonicContact CZ-OE2 3.63Å; R169-E197 IonicContact NH1-OE2 2.74Å; R169-E197 PolarHBondContact NH1-OE2 2.83Å; R169-E197 IonicContact NH2-OE2 3.88Å; R169-E197 PolarHBondContact NH2-OE2 3.36Å
170L98.9Very high98.3Very high10 Ų1054.7 Ų54.75%0.05230%0.301CS..EExtended strand (participates in β ladder)trans-109.3115.2-173.5-52.9180000110.6A147 L160 L163 K164 M168 V186 E187A147-L170 HydrophobicContact CB-CD2 4.44Å; L160-L170 HydrophobicContact CD2-CB 4.13Å; L160-L170 HydrophobicContact CD2-CD1 4.33Å; L160-L170 HydrophobicContact CD2-CD2 4.43Å; L163-L170 HydrophobicContact CB-CD2 3.57Å; K164-L170 HydrophobicContact CB-CD1 3.89Å; K164-L170 HydrophobicContact CG-CD1 4.44Å; M168-L170 HydrophobicContact CB-CD2 4.18Å; L170-V186 HydrophobicContact CB-CB 4.42Å; L170-V186 HydrophobicContact CB-CG1 4.48Å; L170-V186 HydrophobicContact CB-CG2 3.88Å; L170-V186 HydrophobicContact CD1-CG2 3.88Å; L170-E187 PolarHBondContact O-N 3.5Å
171L98.9Very high98.2Very high0 Ų054.7 Ų54.70%030%0.301CS..EExtended strand (participates in β ladder)trans-105.5146.6168.6-58.6-175.1000109.3T146 A147 G148 V149 E187 V189 E197T146-L171 HydrophobicContact CG2-CD1 3.57Å; T146-L171 HydrophobicContact CG2-CG 3.68Å; A147-L171 PolarHBondContact O-N 3.11Å; G148-L171 WeakPolarHBondContact CA-O 3.1Å; V149-L171 PolarHBondContact N-O 2.88Å; L171-E187 CarbonylContact C-O 3.49Å; L171-E187 WeakPolarHBondContact CA-O 3.3Å; L171-E187 HydrophobicContact CD2-CB 3.89Å; L171-E187 HydrophobicContact CD2-CG 4.23Å; L171-E187 WeakPolarHBondContact CD2-OE2 3.34Å; L171-V189 HydrophobicContact CB-CG2 4.19Å; L171-V189 HydrophobicContact CD1-CG2 4.4Å; L171-V189 HydrophobicContact CD2-CG1 4.21Å; L171-E197 HydrophobicContact CD1-CB 3.72Å
172A98.9Very high98.2Very high0 Ų053.7 Ų53.70%031%0.305CS..EExtended strand (participates in β ladder)trans-140.5152.4171.900000113V149 T152 V186 E187 Y188 V189V149-A172 CarbonylContact O-C 3.56Å; V149-A172 WeakPolarHBondContact O-CA 3.49Å; T152-A172 HydrophobicContact CG2-CB 3.64Å; A172-V186 HydrophobicContact CB-CG1 3.46Å; A172-V186 VanDerWaalsContact CB-CG1 3.46Å; A172-E187 PolarHBondContact N-O 3.33Å; A172-Y188 HydrophobicContact CB-CD1 4.08Å; A172-Y188 HydrophobicContact CB-CE1 3.93Å; A172-Y188 VanDerWaalsContact O-CA 3.32Å; A172-Y188 WeakPolarHBondContact O-CA 3.45Å; A172-V189 PolarHBondContact O-N 3.45Å
173F98.8Very high98.2Very high57 Ų5758.9 Ų58.925%0.2533%0.328CS..EExtended strand (participates in β ladder)trans-124.6127.3166.9174.5-93.8000109.3V149 I150 G151 V189 L191 L194V149-F173 PolarHBondContact O-N 3.35Å; I150-F173 HydrophobicContact CG2-CD1 4.24Å; G151-F173 PolarHBondContact N-O 2.67Å; F173-V189 WeakPolarHBondContact CD2-O 3.19Å; F173-L191 HydrophobicContact CB-CD2 3.97Å; F173-L191 HydrophobicContact CB-CG 4.47Å; F173-L191 HydrophobicContact CD1-CD1 4.27Å; F173-L191 HydrophobicContact CD1-CD2 3.59Å; F173-L191 HydrophobicContact CD1-CG 3.81Å; F173-L191 HydrophobicContact CD2-CD2 4.18Å; F173-L191 HydrophobicContact CD2-CG 3.76Å; F173-L191 HydrophobicContact CE1-CD1 3.89Å; F173-L191 HydrophobicContact CE1-CD2 4.09Å; F173-L191 HydrophobicContact CE1-CG 3.89Å; F173-L191 HydrophobicContact CE2-CD1 4.29Å; F173-L191 HydrophobicContact CE2-CG 3.85Å; F173-L191 HydrophobicContact CG-CD2 3.63Å; F173-L191 HydrophobicContact CG-CG 3.73Å; F173-L191 HydrophobicContact CZ-CD1 3.9Å; F173-L191 HydrophobicContact CZ-CG 3.9Å; F173-L194 HydrophobicContact CB-CD1 3.85Å
174D98.2Very high98.1Very high34 Ų3460.3 Ų60.318%0.18234%0.335CS..  trans-154.6137.7169.9-161.4-61.6000108.1T152 Y176 Y188T152-D174 HydrophobicContact CG2-CB 4.21Å; T152-D174 PolarHBondContact N-OD2 3.05Å; T152-D174 WeakPolarHBondContact OG1-CB 3.14Å; T152-D174 VanDerWaalsContact OG1-CG 3.3Å; T152-D174 PolarHBondContact OG1-OD2 3.27Å; D174-Y176 PolarHBondContact O-N 3.49Å; D174-Y176 VanDerWaalsContact O-N 3.14Å; D174-Y176 PolarHBondContact OD1-N 2.93Å; D174-Y188 HydrophobicContact CB-CE1 3.9Å
175P96.7Very high98.1Very high95 Ų9558.6 Ų58.662%0.61735%0.346SS*.SBendtrans-55-25.9170.4-2635.1000113.6
176Y97Very high98.1Very high193 Ų19355.5 Ų55.576%0.75731%0.312SS*.SBendtrans-127.389.3-179.2-53-72.4000110.9D174 S178D174-Y176 PolarHBondContact O-N 3.49Å; D174-Y176 VanDerWaalsContact O-N 3.14Å; D174-Y176 PolarHBondContact OD1-N 2.93Å; Y176-S178 PolarHBondContact O-N 3.49Å
177P97Very high98.1Very high79 Ų7956.9 Ų56.951%0.51332%0.319SS..  trans-53.2126.1179.5-29.636.5000113.6Y188P177-Y188 HydrophobicContact CB-CD1 4.02Å; P177-Y188 HydrophobicContact CB-CD2 3.94Å; P177-Y188 HydrophobicContact CB-CE1 3.91Å; P177-Y188 HydrophobicContact CB-CE2 3.83Å; P177-Y188 HydrophobicContact CB-CG 4.02Å; P177-Y188 HydrophobicContact CG-CD1 4.05Å; P177-Y188 HydrophobicContact CG-CE1 4.3Å; P177-Y188 HydrophobicContact CG-CG 4.19Å
178S97.1Very high98.1Very high29 Ų2957.9 Ų57.920%0.20332%0.315CS..  trans-81.8128.8178.5174.60000112.4Y176 A180 A181 L182 Y188Y176-S178 PolarHBondContact O-N 3.49Å; S178-A180 VanDerWaalsContact C-N 3.27Å; S178-A180 PolarHBondContact O-N 3.23Å; S178-A180 PolarHBondContact OG-N 2.96Å; S178-A181 WeakPolarHBondContact O-CB 3.42Å; S178-A181 PolarHBondContact O-N 3.25Å; S178-A181 VanDerWaalsContact O-N 3.12Å; S178-L182 PolarHBondContact O-N 2.93Å; S178-L182 VanDerWaalsContact O-N 3.14Å; S178-Y188 WeakPolarHBondContact CB-OH 3.39Å; S178-Y188 PolarHBondContact N-OH 2.98Å
179A97.7Very high98.1Very high67 Ų6758.4 Ų58.455%0.55432%0.319SS*.Hα-helixtrans-57.7-39.2172.900000112.3A181 L182 E183A179-A181 VanDerWaalsContact C-N 3.26Å; A179-A181 PolarHBondContact O-N 2.82Å; A179-L182 WeakPolarHBondContact O-CB 3.48Å; A179-L182 PolarHBondContact O-N 3.49Å; A179-L182 VanDerWaalsContact O-N 3.14Å; A179-E183 WeakPolarHBondContact O-CG 3.14Å; A179-E183 PolarHBondContact O-N 3.1Å
180A97.9Very high98.1Very high36 Ų3657.8 Ų57.830%0.29832%0.323SS..Hα-helixtrans-64.7-29.9178.200000112.7V157 S178 L184V157-A180 HydrophobicContact CG1-CB 4.06Å; S178-A180 VanDerWaalsContact C-N 3.27Å; S178-A180 PolarHBondContact O-N 3.23Å; S178-A180 PolarHBondContact OG-N 2.96Å; A180-L184 WeakPolarHBondContact O-CG 3.41Å
181A98.1Very high98Very high0 Ų058.7 Ų58.70%033%0.328CS..Hα-helixtrans-74.5-40.6172.800000111.4V157 L160 S178 A179 E183 L184 V186 Y188V157-A181 HydrophobicContact CG2-CB 4.42Å; L160-A181 HydrophobicContact CD1-CB 4.03Å; S178-A181 WeakPolarHBondContact O-CB 3.42Å; S178-A181 PolarHBondContact O-N 3.25Å; S178-A181 VanDerWaalsContact O-N 3.12Å; A179-A181 VanDerWaalsContact C-N 3.26Å; A179-A181 PolarHBondContact O-N 2.82Å; A181-E183 VanDerWaalsContact C-N 3.3Å; A181-E183 PolarHBondContact O-N 3.31Å; A181-L184 WeakPolarHBondContact O-CA 3.41Å; A181-L184 WeakPolarHBondContact O-CB 3.23Å; A181-L184 PolarHBondContact O-N 3.16Å; A181-V186 HydrophobicContact CB-CB 4.28Å; A181-V186 HydrophobicContact CB-CG2 4.25Å; A181-V186 VanDerWaalsContact O-CB 3.29Å; A181-V186 WeakPolarHBondContact O-CB 3.5Å; A181-V186 WeakPolarHBondContact O-CG2 3.48Å; A181-V186 PolarHBondContact O-N 3.35Å; A181-Y188 HydrophobicContact CB-CE2 4.05Å; A181-Y188 WeakPolarHBondContact CB-OH 3.36Å
182L97.9Very high98Very high98 Ų9861.7 Ų61.751%0.51335%0.347SS..Hα-helixtrans-60.2-39.8176.8-68.3173.2000111.9S178 A179 L184 G185 Y188S178-L182 PolarHBondContact O-N 2.93Å; S178-L182 VanDerWaalsContact O-N 3.14Å; A179-L182 WeakPolarHBondContact O-CB 3.48Å; A179-L182 PolarHBondContact O-N 3.49Å; A179-L182 VanDerWaalsContact O-N 3.14Å; L182-L184 PolarHBondContact O-N 3Å; L182-G185 PolarHBondContact O-N 3.25Å; L182-Y188 HydrophobicContact CD2-CD2 3.72Å; L182-Y188 HydrophobicContact CD2-CE2 3.87Å; L182-Y188 HydrophobicContact CG-CD2 4.38Å; L182-Y188 HydrophobicContact CG-CE2 4.05Å
183E97.8Very high98Very high159 Ų15963.6 Ų63.674%0.74336%0.359SS*.THydrogen-bonded Turntrans-60.6-25174-72.4174.9-17600113.3A179 A181 G185A179-E183 WeakPolarHBondContact O-CG 3.14Å; A179-E183 PolarHBondContact O-N 3.1Å; A181-E183 VanDerWaalsContact C-N 3.3Å; A181-E183 PolarHBondContact O-N 3.31Å; E183-G185 PolarHBondContact O-N 3.12Å
184L97.5Very high98Very high31 Ų3160.9 Ų60.916%0.16235%0.347CS..THydrogen-bonded Turntrans-77.8-10.2174.4-64.4170.7000112.8V157 L160 R161 K164 A180 A181 L182 V186V157-L184 HydrophobicContact CG1-CD1 4.28Å; L160-L184 HydrophobicContact CB-CD1 3.96Å; R161-L184 HydrophobicContact CB-CD1 4.46Å; R161-L184 HydrophobicContact CG-CD1 3.56Å; R161-L184 HydrophobicContact CG-CD2 3.89Å; R161-L184 HydrophobicContact CG-CG 4.37Å; K164-L184 HydrophobicContact CD-CB 4.2Å; K164-L184 HydrophobicContact CD-CD2 3.94Å; K164-L184 WeakPolarHBondContact CD-O 3.5Å; K164-L184 VanDerWaalsContact CE-O 3.31Å; K164-L184 WeakPolarHBondContact CE-O 3.38Å; K164-L184 PolarHBondContact NZ-O 3.2Å; A180-L184 WeakPolarHBondContact O-CG 3.41Å; A181-L184 WeakPolarHBondContact O-CA 3.41Å; A181-L184 WeakPolarHBondContact O-CB 3.23Å; A181-L184 PolarHBondContact O-N 3.16Å; L182-L184 PolarHBondContact O-N 3Å; L184-V186 HydrophobicContact CB-CG2 4.07Å
185G97.7Very high98Very high62 Ų6259.7 Ų59.764%0.63934%0.34SS*.THydrogen-bonded Turntrans85.626-17400000112.9L182 E183L182-G185 PolarHBondContact O-N 3.25Å; E183-G185 PolarHBondContact O-N 3.12Å
186V98.5Very high98.1Very high8 Ų858 Ų585%0.04833%0.331CS..PPolyproline II helixtrans-76.2134.8178.2178.70000110.2L160 L170 A172 A181 L184 Y188L160-V186 HydrophobicContact CB-CG2 4.41Å; L160-V186 HydrophobicContact CD1-CG1 4.48Å; L160-V186 HydrophobicContact CD1-CG2 4.04Å; L160-V186 HydrophobicContact CD2-CG1 4.35Å; L160-V186 HydrophobicContact CD2-CG2 3.83Å; L160-V186 HydrophobicContact CG-CG2 4.31Å; L170-V186 HydrophobicContact CB-CB 4.42Å; L170-V186 HydrophobicContact CB-CG1 4.48Å; L170-V186 HydrophobicContact CB-CG2 3.88Å; L170-V186 HydrophobicContact CD1-CG2 3.88Å; A172-V186 HydrophobicContact CB-CG1 3.46Å; A172-V186 VanDerWaalsContact CB-CG1 3.46Å; A181-V186 HydrophobicContact CB-CB 4.28Å; A181-V186 HydrophobicContact CB-CG2 4.25Å; A181-V186 VanDerWaalsContact O-CB 3.29Å; A181-V186 WeakPolarHBondContact O-CB 3.5Å; A181-V186 WeakPolarHBondContact O-CG2 3.48Å; A181-V186 PolarHBondContact O-N 3.35Å; L184-V186 HydrophobicContact CB-CG2 4.07Å; V186-Y188 HydrophobicContact CG1-CE2 4.48Å
187E98.7Very high98.2Very high92 Ų9252 Ų5243%0.4331%0.31SS..EExtended strand (participates in β ladder)trans-94.7116.6172.7-174.8-176.2-175.900109.2R169 L170 L171 A172 V189R169-E187 IonicContact CZ-OE2 3.57Å; R169-E187 IonicContact NE-OE2 2.8Å; R169-E187 IonicContact NH2-OE1 2.99Å; R169-E187 IonicContact NH2-OE2 3.05Å; R169-E187 PolarHBondContact NH2-OE2 2.99Å; L170-E187 PolarHBondContact O-N 3.5Å; L171-E187 CarbonylContact C-O 3.49Å; L171-E187 WeakPolarHBondContact CA-O 3.3Å; L171-E187 HydrophobicContact CD2-CB 3.89Å; L171-E187 HydrophobicContact CD2-CG 4.23Å; L171-E187 WeakPolarHBondContact CD2-OE2 3.34Å; A172-E187 PolarHBondContact N-O 3.33Å; E187-V189 HydrophobicContact CG-CG1 3.92Å
188Y98.8Very high98.3Very high50 Ų5048.3 Ų48.320%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-80.9128.7172.3-78.5-91.9000110.1T152 A172 D174 P177 S178 A181 L182 V186T152-Y188 VanDerWaalsContact CB-OH 3.31Å; T152-Y188 WeakPolarHBondContact CB-OH 3.47Å; T152-Y188 HydrophobicContact CG2-CE1 3.72Å; T152-Y188 WeakPolarHBondContact CG2-OH 3.41Å; T152-Y188 PolarHBondContact OG1-OH 3.16Å; A172-Y188 HydrophobicContact CB-CD1 4.08Å; A172-Y188 HydrophobicContact CB-CE1 3.93Å; A172-Y188 VanDerWaalsContact O-CA 3.32Å; A172-Y188 WeakPolarHBondContact O-CA 3.45Å; D174-Y188 HydrophobicContact CB-CE1 3.9Å; P177-Y188 HydrophobicContact CB-CD1 4.02Å; P177-Y188 HydrophobicContact CB-CD2 3.94Å; P177-Y188 HydrophobicContact CB-CE1 3.91Å; P177-Y188 HydrophobicContact CB-CE2 3.83Å; P177-Y188 HydrophobicContact CB-CG 4.02Å; P177-Y188 HydrophobicContact CG-CD1 4.05Å; P177-Y188 HydrophobicContact CG-CE1 4.3Å; P177-Y188 HydrophobicContact CG-CG 4.19Å; S178-Y188 WeakPolarHBondContact CB-OH 3.39Å; S178-Y188 PolarHBondContact N-OH 2.98Å; A181-Y188 HydrophobicContact CB-CE2 4.05Å; A181-Y188 WeakPolarHBondContact CB-OH 3.36Å; L182-Y188 HydrophobicContact CD2-CD2 3.72Å; L182-Y188 HydrophobicContact CD2-CE2 3.87Å; L182-Y188 HydrophobicContact CG-CD2 4.38Å; L182-Y188 HydrophobicContact CG-CE2 4.05Å; V186-Y188 HydrophobicContact CG1-CE2 4.48Å
189V98.8Very high98.4Very high24 Ų2448.5 Ų48.515%0.14528%0.284CS..  trans-134.7167.2-178.5-61.30000110.2L171 A172 F173 E187 T193 L194L171-V189 HydrophobicContact CB-CG2 4.19Å; L171-V189 HydrophobicContact CD1-CG2 4.4Å; L171-V189 HydrophobicContact CD2-CG1 4.21Å; A172-V189 PolarHBondContact O-N 3.45Å; F173-V189 WeakPolarHBondContact CD2-O 3.19Å; E187-V189 HydrophobicContact CG-CG1 3.92Å; V189-T193 HydrophobicContact CB-CG2 3.85Å; V189-T193 HydrophobicContact CG1-CG2 3.98Å; V189-T193 HydrophobicContact CG2-CG2 4.13Å; V189-L194 HydrophobicContact CG2-CB 3.88Å
190D98.5Very high98.5Very high89 Ų8945.4 Ų45.448%0.47626%0.259SS..  trans-72.3164.6169.864.326.2000111.9P192 T193 L194D190-P192 WeakPolarHBondContact OD1-CD 3.3Å; D190-T193 PolarHBondContact O-N 2.91Å; D190-T193 WeakPolarHBondContact OD1-CB 3.41Å; D190-T193 PolarHBondContact OD1-N 3.48Å; D190-T193 PolarHBondContact OD1-OG1 2.96Å; D190-L194 PolarHBondContact O-N 2.88Å
191L98.5Very high98.5Very high30 Ų3043.7 Ų43.716%0.15724%0.244CC..Hα-helixtrans-59.1-45.7-179.6-75.6168.6000113.4I150 F173 T193 L194 F195 L214I150-L191 HydrophobicContact CD1-CD2 3.84Å; I150-L191 HydrophobicContact CG1-CD2 4.22Å; F173-L191 HydrophobicContact CB-CD2 3.97Å; F173-L191 HydrophobicContact CB-CG 4.47Å; F173-L191 HydrophobicContact CD1-CD1 4.27Å; F173-L191 HydrophobicContact CD1-CD2 3.59Å; F173-L191 HydrophobicContact CD1-CG 3.81Å; F173-L191 HydrophobicContact CD2-CD2 4.18Å; F173-L191 HydrophobicContact CD2-CG 3.76Å; F173-L191 HydrophobicContact CE1-CD1 3.89Å; F173-L191 HydrophobicContact CE1-CD2 4.09Å; F173-L191 HydrophobicContact CE1-CG 3.89Å; F173-L191 HydrophobicContact CE2-CD1 4.29Å; F173-L191 HydrophobicContact CE2-CG 3.85Å; F173-L191 HydrophobicContact CG-CD2 3.63Å; F173-L191 HydrophobicContact CG-CG 3.73Å; F173-L191 HydrophobicContact CZ-CD1 3.9Å; F173-L191 HydrophobicContact CZ-CG 3.9Å; L191-T193 VanDerWaalsContact C-N 3.32Å; L191-T193 PolarHBondContact O-N 2.9Å; L191-L194 PolarHBondContact O-N 2.8Å; L191-F195 HydrophobicContact CB-CD2 4.45Å; L191-F195 HydrophobicContact CB-CE2 3.91Å; L191-F195 HydrophobicContact CB-CZ 4.06Å; L191-F195 HydrophobicContact CD2-CE1 4.1Å; L191-F195 HydrophobicContact CD2-CZ 3.88Å; L191-F195 HydrophobicContact CG-CZ 4.41Å; L191-F195 WeakPolarHBondContact O-CB 3.32Å; L191-F195 VanDerWaalsContact O-CD2 3.26Å; L191-F195 WeakPolarHBondContact O-CD2 3.47Å; L191-F195 WeakPolarHBondContact O-CG 3.15Å; L191-F195 PolarHBondContact O-N 3.12Å; L191-L214 HydrophobicContact CD1-CD1 3.72Å
192P98.5Very high98.5Very high62 Ų6243.8 Ų43.840%0.40325%0.245SC..Hα-helixtrans-55.4-44175.9-28.637.1000113.6D190 F195 S196D190-P192 WeakPolarHBondContact OD1-CD 3.3Å; P192-F195 PolarHBondContact O-N 3.19Å; P192-S196 WeakPolarHBondContact O-CB 3.47Å; P192-S196 PolarHBondContact O-N 3.36Å; P192-S196 PolarHBondContact O-OG 3.46Å
193T98.7Very high98.6Very high40 Ų4039.1 Ų39.125%0.24522%0.22CC..Hα-helixtrans-63.4-48.1176.2-56.30000110.5V189 D190 L191 F195 S196 E197V189-T193 HydrophobicContact CB-CG2 3.85Å; V189-T193 HydrophobicContact CG1-CG2 3.98Å; V189-T193 HydrophobicContact CG2-CG2 4.13Å; D190-T193 PolarHBondContact O-N 2.91Å; D190-T193 WeakPolarHBondContact OD1-CB 3.41Å; D190-T193 PolarHBondContact OD1-N 3.48Å; D190-T193 PolarHBondContact OD1-OG1 2.96Å; L191-T193 VanDerWaalsContact C-N 3.32Å; L191-T193 PolarHBondContact O-N 2.9Å; T193-F195 VanDerWaalsContact C-N 3.34Å; T193-F195 PolarHBondContact O-N 3.38Å; T193-S196 PolarHBondContact O-N 2.89Å; T193-S196 PolarHBondContact O-OG 3.46Å; T193-S196 VanDerWaalsContact O-OG 3.06Å; T193-E197 HydrophobicContact CG2-CG 4.39Å; T193-E197 WeakPolarHBondContact CG2-OE1 3.38Å; T193-E197 WeakPolarHBondContact O-CB 3.44Å; T193-E197 WeakPolarHBondContact O-CG 3.33Å; T193-E197 PolarHBondContact O-N 3.32Å
194L98.8Very high98.6Very high0 Ų032.1 Ų32.10%019%0.188CC..Hα-helixtrans-56.7-46.9177.5-170.4152.5000111.6I150 F173 V189 D190 L191 S198 I201I150-L194 HydrophobicContact CD1-CD2 4.1Å; I150-L194 HydrophobicContact CG1-CD1 3.97Å; I150-L194 HydrophobicContact CG1-CD2 4.05Å; F173-L194 HydrophobicContact CB-CD1 3.85Å; V189-L194 HydrophobicContact CG2-CB 3.88Å; D190-L194 PolarHBondContact O-N 2.88Å; L191-L194 PolarHBondContact O-N 2.8Å; L194-S198 WeakPolarHBondContact O-CB 3.26Å; L194-S198 PolarHBondContact O-N 2.76Å; L194-S198 VanDerWaalsContact O-N 3.13Å; L194-S198 PolarHBondContact O-OG 3.27Å; L194-I201 HydrophobicContact CD2-CD1 4.14Å; L194-I201 HydrophobicContact CD2-CG1 4.06Å; L194-I201 HydrophobicContact CD2-CG2 4.28Å
195F98.8Very high98.5Very high9 Ų931.4 Ų31.44%0.03919%0.185CC..Hα-helixtrans-61.3-46.5179.2-63.1-27.4000112I150 L191 P192 T193 E197 I201 L215 A219 Q222 M223I150-F195 HydrophobicContact CD1-CE1 3.84Å; L191-F195 HydrophobicContact CB-CD2 4.45Å; L191-F195 HydrophobicContact CB-CE2 3.91Å; L191-F195 HydrophobicContact CB-CZ 4.06Å; L191-F195 HydrophobicContact CD2-CE1 4.1Å; L191-F195 HydrophobicContact CD2-CZ 3.88Å; L191-F195 HydrophobicContact CG-CZ 4.41Å; L191-F195 WeakPolarHBondContact O-CB 3.32Å; L191-F195 VanDerWaalsContact O-CD2 3.26Å; L191-F195 WeakPolarHBondContact O-CD2 3.47Å; L191-F195 WeakPolarHBondContact O-CG 3.15Å; L191-F195 PolarHBondContact O-N 3.12Å; P192-F195 PolarHBondContact O-N 3.19Å; T193-F195 VanDerWaalsContact C-N 3.34Å; T193-F195 PolarHBondContact O-N 3.38Å; F195-E197 PolarHBondContact O-N 3.16Å; F195-I201 HydrophobicContact CD1-CD1 4.08Å; F195-L215 HydrophobicContact CE1-CD2 3.51Å; F195-L215 HydrophobicContact CZ-CD2 3.71Å; F195-A219 HydrophobicContact CD2-CB 4.19Å; F195-A219 HydrophobicContact CE2-CB 3.69Å; F195-A219 HydrophobicContact CZ-CB 3.96Å; F195-Q222 HydrophobicContact CB-CB 4.03Å; F195-Q222 HydrophobicContact CD2-CB 4.5Å; F195-M223 HydrophobicContact CB-CG 4Å; F195-M223 HydrophobicContact CD1-CE 3.74Å; F195-M223 HydrophobicContact CE1-CE 3.99Å; F195-M223 HydrophobicContact CG-CE 4.25Å; F195-M223 HydrophobicContact CG-CG 4.48Å; F195-M223 WeakPolarHBondContact O-CA 3.11Å
196S98.6Very high98.3Very high61 Ų6133 Ų3343%0.42718%0.184SC..Hα-helixtrans-71.8-27.8-175.568.40000114.4P192 T193 Q222 K224P192-S196 WeakPolarHBondContact O-CB 3.47Å; P192-S196 PolarHBondContact O-N 3.36Å; P192-S196 PolarHBondContact O-OG 3.46Å; T193-S196 PolarHBondContact O-N 2.89Å; T193-S196 PolarHBondContact O-OG 3.46Å; T193-S196 VanDerWaalsContact O-OG 3.06Å; S196-Q222 VanDerWaalsContact CA-O 3.29Å; S196-Q222 WeakPolarHBondContact CA-O 3.4Å; S196-K224 WeakPolarHBondContact O-CG 3.44Å
197E98.8Very high98Very high67 Ų6736.2 Ų36.231%0.31320%0.2SC..Hα-helixtrans-100-25.6-173.5-65.4-168.4-163.500114.3T146 R169 L171 T193 F195T146-E197 WeakPolarHBondContact CB-O 3.11Å; R169-E197 IonicContact CZ-OE2 3.63Å; R169-E197 IonicContact NH1-OE2 2.74Å; R169-E197 PolarHBondContact NH1-OE2 2.83Å; R169-E197 IonicContact NH2-OE2 3.88Å; R169-E197 PolarHBondContact NH2-OE2 3.36Å; L171-E197 HydrophobicContact CD1-CB 3.72Å; T193-E197 HydrophobicContact CG2-CG 4.39Å; T193-E197 WeakPolarHBondContact CG2-OE1 3.38Å; T193-E197 WeakPolarHBondContact O-CB 3.44Å; T193-E197 WeakPolarHBondContact O-CG 3.33Å; T193-E197 PolarHBondContact O-N 3.32Å; F195-E197 PolarHBondContact O-N 3.16Å
198S98.9Very high97.7Very high0 Ų034 Ų340%019%0.193CC..  trans-76.9129.6-171.8-60.30000113.2G148 L194 K224G148-S198 VanDerWaalsContact CA-OG 3.29Å; G148-S198 WeakPolarHBondContact CA-OG 3.41Å; G148-S198 PolarHBondContact N-OG 2.74Å; L194-S198 WeakPolarHBondContact O-CB 3.26Å; L194-S198 PolarHBondContact O-N 2.76Å; L194-S198 VanDerWaalsContact O-N 3.13Å; L194-S198 PolarHBondContact O-OG 3.27Å; S198-K224 WeakPolarHBondContact O-CD 3.39Å
199D98.8Very high97.5Very high34 Ų3437 Ų3718%0.18222%0.219CC..SBendtrans-80.1-30.7167.6-61.5-69.9000111.5K145 T146 K224 M228K145-D199 WeakPolarHBondContact CA-OD2 3.21Å; K145-D199 HydrophobicContact CB-CB 4.08Å; K145-D199 WeakPolarHBondContact CB-OD2 3.42Å; K145-D199 HydrophobicContact CD-CB 4.2Å; K145-D199 WeakPolarHBondContact CD-OD2 3.33Å; K145-D199 HydrophobicContact CG-CB 4.49Å; T146-D199 PolarHBondContact N-OD2 3.38Å; T146-D199 WeakPolarHBondContact O-CB 3.42Å; T146-D199 PolarHBondContact O-N 2.68Å; D199-K224 VanDerWaalsContact CG-NZ 3.35Å; D199-K224 WeakPolarHBondContact OD1-CE 3.45Å; D199-K224 IonicContact OD1-NZ 3.36Å; D199-K224 PolarHBondContact OD1-NZ 3.38Å; D199-K224 IonicContact OD2-NZ 3.64Å; D199-M228 PolarHBondContact O-N 2.74Å
200V98.9Very high97.3Very high2 Ų243.4 Ų43.41%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-132.2130.2179.2-1750000108.8M113 F140 M142 T146 A147 G148 M168 M228M113-V200 HydrophobicContact CE-CG1 3.45Å; M113-V200 VanDerWaalsContact CE-CG1 3.45Å; M113-V200 HydrophobicContact CG-CG1 4.33Å; M113-V200 HydrophobicContact SD-CG1 3.64Å; F140-V200 HydrophobicContact CE2-CG2 4.18Å; F140-V200 HydrophobicContact CZ-CG2 3.94Å; M142-V200 HydrophobicContact CE-CG2 4.31Å; T146-V200 PolarHBondContact O-N 3.27Å; A147-V200 CarbonylContact C-O 3.28Å; A147-V200 WeakPolarHBondContact CA-O 3.34Å; G148-V200 PolarHBondContact N-O 2.88Å; M168-V200 HydrophobicContact CE-CB 4.32Å; M168-V200 HydrophobicContact CE-CG2 3.97Å; V200-M228 CarbonylContact C-O 3.54Å; V200-M228 VanDerWaalsContact CA-O 3.31Å; V200-M228 WeakPolarHBondContact CA-O 3.38Å; V200-M228 HydrophobicContact CB-CB 4.48Å; V200-M228 HydrophobicContact CG1-CB 4.27Å; V200-M228 HydrophobicContact CG1-CG 4.21Å; V200-M228 HydrophobicContact CG1-SD 4.31Å; V200-M228 HydrophobicContact CG2-CB 4.17Å
201I98.9Very high97.2Very high0 Ų040.3 Ų40.30%023%0.231CC..EExtended strand (participates in β ladder)trans-118.4132.2176-62.5172.9000109.2G148 I150 L194 F195 M223 V227 M228 I229 V230G148-I201 CarbonylContact O-C 3.54Å; G148-I201 VanDerWaalsContact O-CA 3.28Å; G148-I201 WeakPolarHBondContact O-CA 3.31Å; I150-I201 HydrophobicContact CD1-CG2 4.04Å; I150-I201 HydrophobicContact CG1-CG2 4.48Å; L194-I201 HydrophobicContact CD2-CD1 4.14Å; L194-I201 HydrophobicContact CD2-CG1 4.06Å; L194-I201 HydrophobicContact CD2-CG2 4.28Å; F195-I201 HydrophobicContact CD1-CD1 4.08Å; I201-M223 HydrophobicContact CD1-CE 3.78Å; I201-M223 HydrophobicContact CD1-CG 4.12Å; I201-M223 HydrophobicContact CD1-SD 3.85Å; I201-V227 HydrophobicContact CD1-CG2 4.15Å; I201-V227 HydrophobicContact CG1-CG2 4.28Å; I201-M228 PolarHBondContact N-O 3.43Å; I201-I229 HydrophobicContact CB-CG1 4.49Å; I201-I229 CarbonylContact O-C 3.4Å; I201-I229 WeakPolarHBondContact O-CA 3.43Å; I201-V230 PolarHBondContact O-N 3.16Å
202S98.9Very high97.1Very high1 Ų145.5 Ų45.51%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-125.8129176.4-153.60000111.5G148 I150 H204 V230G148-S202 PolarHBondContact O-N 3.06Å; I150-S202 PolarHBondContact N-O 3.28Å; S202-H204 WeakPolarHBondContact CB-NE2 3.19Å; S202-H204 PolarHBondContact OG-NE2 3.3Å; S202-V230 WeakPolarHBondContact CA-O 3.36Å
203L98.7Very high97.1Very high0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-93.5120.4179.4-59.2-179.7000110.9I150 L215 V230 N231 S233 L237 I238I150-L203 HydrophobicContact CB-CD2 3.85Å; I150-L203 HydrophobicContact CD1-CD2 3.7Å; I150-L203 HydrophobicContact CG1-CD2 4.22Å; I150-L203 HydrophobicContact CG2-CD2 4.2Å; L203-L215 HydrophobicContact CD1-CD1 3.93Å; L203-L215 HydrophobicContact CD1-CG 4.29Å; L203-L215 HydrophobicContact CD2-CD1 4.16Å; L203-L215 HydrophobicContact CD2-CG 4.37Å; L203-L215 HydrophobicContact CG-CD1 4.32Å; L203-V230 PolarHBondContact N-O 3.18Å; L203-N231 HydrophobicContact CD1-CB 4.04Å; L203-S233 PolarHBondContact O-OG 2.98Å; L203-L237 HydrophobicContact CB-CD1 4.32Å; L203-L237 HydrophobicContact CD1-CB 3.84Å; L203-L237 HydrophobicContact CD1-CD1 4.26Å; L203-I238 HydrophobicContact CD1-CD1 3.94Å; L203-I238 HydrophobicContact CD1-CG1 3.73Å
204H97.9Very high97.1Very high13 Ų1343.8 Ų43.86%0.0623%0.234CC..  trans-136.738.8179.5-61.6-63.2000112.1I150 I155 M159 S202 T232 S233I150-H204 CarbonylContact O-C 3.59Å; I150-H204 WeakPolarHBondContact O-CA 3.33Å; I150-H204 PolarHBondContact O-N 3.2Å; I155-H204 WeakPolarHBondContact CG2-ND1 3.38Å; M159-H204 WeakPolarHBondContact CG-NE2 3.47Å; S202-H204 WeakPolarHBondContact CB-NE2 3.19Å; S202-H204 PolarHBondContact OG-NE2 3.3Å; H204-T232 PolarHBondContact CE1-OG1 3.48Å; H204-S233 WeakPolarHBondContact CA-OG 3.31Å; H204-S233 PolarHBondContact N-OG 3.39Å
205C95.9Very high97Very high16 Ų1643.8 Ų43.811%0.10823%0.234CC..SBendtrans-117.8151.2-179.859.20000111.6I150 S233I150-C205 PolarHBondContact O-N 2.8Å; C205-S233 PolarHBondContact N-OG 3.01Å; C205-S233 WeakPolarHBondContact O-CB 3.46Å; C205-S233 PolarHBondContact O-OG 2.85Å
206P92.6Very high97Very high95 Ų9546.2 Ų46.262%0.61725%0.247SC*.  trans-65.4153.6171.529.8-35.1000110.4T208 N211P206-T208 HydrophobicContact CG-CG2 4.41Å; P206-N211 PolarHBondContact O-ND2 2.96Å
207L92.8Very high97Very high75 Ų7549.9 Ų49.939%0.39326%0.258SS..  trans-75.7128167.118068.1000109.6N211 Y212 R234 A236 L237L207-N211 WeakPolarHBondContact CA-OD1 3.35Å; L207-Y212 HydrophobicContact CD1-CD2 4.49Å; L207-R234 HydrophobicContact CB-CB 3.97Å; L207-R234 HydrophobicContact CB-CG 3.99Å; L207-A236 HydrophobicContact CD1-CB 3.87Å; L207-A236 HydrophobicContact CD2-CB 3.77Å; L207-A236 HydrophobicContact CG-CB 4.49Å; L207-L237 HydrophobicContact CD1-CD2 4.08Å; L207-L237 HydrophobicContact CD1-CG 4.38Å
208T92.3Very high96.9Very high45 Ų4549.3 Ų49.328%0.27627%0.265SS..  trans-134.5163.2173.978.90000109.5P206 E210 N211 Y212P206-T208 HydrophobicContact CG-CG2 4.41Å; T208-E210 WeakPolarHBondContact CB-OE2 3.17Å; T208-E210 PolarHBondContact O-N 3.18Å; T208-E210 PolarHBondContact OG1-N 3.34Å; T208-E210 PolarHBondContact OG1-OE2 2.98Å; T208-N211 PolarHBondContact N-OD1 2.76Å; T208-N211 PolarHBondContact O-N 3.25Å; T208-N211 PolarHBondContact O-OD1 2.94Å; T208-N211 VanDerWaalsContact O-OD1 3.06Å; T208-Y212 PolarHBondContact O-N 2.83Å; T208-Y212 VanDerWaalsContact O-N 3.1Å
209P94Very high96.9Very high114 Ų11449.5 Ų49.574%0.7427%0.266SS*.G310 helixtrans-54.9-33.2174.4-2736.6000113.4
210E95.6Very high96.9Very high159 Ų15948 Ų4874%0.74326%0.258SS*.G310 helixtrans-74.3-23.2-177.5-57.672.3-154.500113.6T208T208-E210 WeakPolarHBondContact CB-OE2 3.17Å; T208-E210 PolarHBondContact O-N 3.18Å; T208-E210 PolarHBondContact OG1-N 3.34Å; T208-E210 PolarHBondContact OG1-OE2 2.98Å
211N96.5Very high96.9Very high23 Ų2353.1 Ų53.112%0.12329%0.285CS..G310 helixtrans-117.914-179.273.616.4000113.5P206 L207 T208 H213 L214 L237P206-N211 PolarHBondContact O-ND2 2.96Å; L207-N211 WeakPolarHBondContact CA-OD1 3.35Å; T208-N211 PolarHBondContact N-OD1 2.76Å; T208-N211 PolarHBondContact O-N 3.25Å; T208-N211 PolarHBondContact O-OD1 2.94Å; T208-N211 VanDerWaalsContact O-OD1 3.06Å; N211-H213 PolarHBondContact O-N 2.91Å; N211-L214 HydrophobicContact CB-CB 4.27Å; N211-L214 HydrophobicContact CB-CD1 4.37Å; N211-L214 VanDerWaalsContact O-CB 3.3Å; N211-L214 WeakPolarHBondContact O-CB 3.29Å; N211-L214 PolarHBondContact O-N 3.14Å; N211-L237 HydrophobicContact CB-CD2 4.28Å; N211-L237 WeakPolarHBondContact OD1-CD2 3.5Å
212Y96.6Very high96.9Very high139 Ų13957.1 Ų57.155%0.54530%0.304SS..THydrogen-bonded Turntrans-58.2126167.4179.2-100.9000109.6L207 T208 L214 A236L207-Y212 HydrophobicContact CD1-CD2 4.49Å; T208-Y212 PolarHBondContact O-N 2.83Å; T208-Y212 VanDerWaalsContact O-N 3.1Å; Y212-L214 PolarHBondContact O-N 2.98Å; Y212-A236 HydrophobicContact CD2-CB 3.99Å; Y212-A236 HydrophobicContact CE2-CB 3.91Å
213H97.6Very high96.8Very high36 Ų3657.3 Ų57.317%0.16730%0.304CS..THydrogen-bonded Turntrans52.340.9-172.5-68.4-157.3000112.7N211 L215 N216 A236 D239 E261N211-H213 PolarHBondContact O-N 2.91Å; H213-L215 PolarHBondContact O-N 3.08Å; H213-N216 WeakPolarHBondContact O-CB 3.39Å; H213-N216 PolarHBondContact O-N 3.24Å; H213-N216 PolarHBondContact O-ND2 3Å; H213-A236 PolarHBondContact N-O 3.11Å; H213-D239 HydrophobicContact CB-CB 4.16Å; H213-D239 IonicContact CE1-OD2 3.24Å; H213-D239 WeakPolarHBondContact ND1-CB 3.41Å; H213-D239 IonicContact ND1-OD2 3.89Å; H213-D239 PolarHBondContact ND1-OD2 2.98Å; H213-D239 VanDerWaalsContact ND1-OD2 3.11Å; H213-E261 IonicContact CD2-OE1 2.67Å; H213-E261 PolarHBondContact CD2-OE1 3.01Å; H213-E261 IonicContact CE1-OE1 3.11Å; H213-E261 IonicContact NE2-OE1 3.72Å; H213-E261 PolarHBondContact NE2-OE1 2.82Å
214L98.2Very high96.8Very high30 Ų3061 Ų6116%0.15732%0.321CS..SBendtrans-49.9-44.2175.2-177.266.6000112I150 L191 N211 Y212 N216 L237I150-L214 HydrophobicContact CD1-CD2 4.31Å; I150-L214 HydrophobicContact CG2-CD2 3.74Å; L191-L214 HydrophobicContact CD1-CD1 3.72Å; N211-L214 HydrophobicContact CB-CB 4.27Å; N211-L214 HydrophobicContact CB-CD1 4.37Å; N211-L214 VanDerWaalsContact O-CB 3.3Å; N211-L214 WeakPolarHBondContact O-CB 3.29Å; N211-L214 PolarHBondContact O-N 3.14Å; Y212-L214 PolarHBondContact O-N 2.98Å; L214-N216 PolarHBondContact O-N 3.36Å; L214-L237 PolarHBondContact N-O 2.72Å; L214-L237 VanDerWaalsContact N-O 3.13Å
215L98.4Very high96.9Very high0 Ų066.6 Ų66.60%035%0.351CS..BIsolated β-bridgetrans-94.486.6171.1-53.2-166.1000109.3I150 F195 L203 H213 A219 F220 M223 I229 L237 I238 D239I150-L215 HydrophobicContact CD1-CD2 4.37Å; F195-L215 HydrophobicContact CE1-CD2 3.51Å; F195-L215 HydrophobicContact CZ-CD2 3.71Å; L203-L215 HydrophobicContact CD1-CD1 3.93Å; L203-L215 HydrophobicContact CD1-CG 4.29Å; L203-L215 HydrophobicContact CD2-CD1 4.16Å; L203-L215 HydrophobicContact CD2-CG 4.37Å; L203-L215 HydrophobicContact CG-CD1 4.32Å; H213-L215 PolarHBondContact O-N 3.08Å; L215-A219 HydrophobicContact CD2-CB 4.42Å; L215-F220 HydrophobicContact CB-CE1 3.85Å; L215-F220 HydrophobicContact CB-CZ 3.86Å; L215-F220 HydrophobicContact CD1-CE1 4.46Å; L215-F220 WeakPolarHBondContact O-CZ 3.4Å; L215-M223 HydrophobicContact CD1-CE 4.32Å; L215-M223 HydrophobicContact CD2-CE 3.85Å; L215-I229 HydrophobicContact CD1-CD1 4.45Å; L215-I229 HydrophobicContact CD1-CG2 3.89Å; L215-L237 PolarHBondContact N-O 3Å; L215-I238 HydrophobicContact CB-CG1 4.19Å; L215-I238 HydrophobicContact CD1-CD1 4.3Å; L215-I238 HydrophobicContact CD1-CG1 4.12Å; L215-I238 HydrophobicContact CG-CG1 4.38Å; L215-D239 PolarHBondContact O-N 2.83Å
216N98Very high97Very high60 Ų6067.9 Ų67.932%0.32137%0.367SS..  trans-105.2-174.9173.760.135.4000111.4H213 L214 A218 A219 F220 D239H213-N216 WeakPolarHBondContact O-CB 3.39Å; H213-N216 PolarHBondContact O-N 3.24Å; H213-N216 PolarHBondContact O-ND2 3Å; L214-N216 PolarHBondContact O-N 3.36Å; N216-A218 VanDerWaalsContact C-N 3.34Å; N216-A218 PolarHBondContact O-N 3.29Å; N216-A218 PolarHBondContact OD1-N 3.04Å; N216-A218 VanDerWaalsContact OD1-N 3.13Å; N216-A219 WeakPolarHBondContact O-CB 3.49Å; N216-A219 PolarHBondContact O-N 2.93Å; N216-A219 VanDerWaalsContact O-N 3.08Å; N216-A219 PolarHBondContact OD1-N 2.91Å; N216-F220 WeakPolarHBondContact O-CD2 3.34Å; N216-F220 WeakPolarHBondContact O-CG 3.42Å; N216-F220 PolarHBondContact O-N 3.39Å; N216-D239 HydrophobicContact CB-CB 4.35Å
217E98Very high97.2Very high139 Ų13963.4 Ų63.465%0.6534%0.338SS*.Hα-helixtrans-50.2-49.6177.8-173.3175.6-16800112.8A219 F220 D221 A242E217-A219 VanDerWaalsContact C-N 3.31Å; E217-A219 PolarHBondContact O-N 3.12Å; E217-F220 PolarHBondContact O-N 2.91Å; E217-F220 VanDerWaalsContact O-N 3.15Å; E217-D221 PolarHBondContact O-N 3.18Å; E217-A242 HydrophobicContact CB-CB 4.11Å
218A98.4Very high97.5Very high55 Ų5559.9 Ų59.946%0.45532%0.319SS..Hα-helixtrans-65.2-32.5179.800000113.1N216 Q222N216-A218 VanDerWaalsContact C-N 3.34Å; N216-A218 PolarHBondContact O-N 3.29Å; N216-A218 PolarHBondContact OD1-N 3.04Å; N216-A218 VanDerWaalsContact OD1-N 3.13Å; A218-Q222 WeakPolarHBondContact O-CG 3.38Å; A218-Q222 PolarHBondContact O-NE2 2.99Å
219A98.6Very high97.8Very high3 Ų357.7 Ų57.73%0.02531%0.306CS..Hα-helixtrans-67.4-45.4172.600000110.9F195 L215 N216 E217 D221 Q222 M223F195-A219 HydrophobicContact CD2-CB 4.19Å; F195-A219 HydrophobicContact CE2-CB 3.69Å; F195-A219 HydrophobicContact CZ-CB 3.96Å; L215-A219 HydrophobicContact CD2-CB 4.42Å; N216-A219 WeakPolarHBondContact O-CB 3.49Å; N216-A219 PolarHBondContact O-N 2.93Å; N216-A219 VanDerWaalsContact O-N 3.08Å; N216-A219 PolarHBondContact OD1-N 2.91Å; E217-A219 VanDerWaalsContact C-N 3.31Å; E217-A219 PolarHBondContact O-N 3.12Å; A219-D221 VanDerWaalsContact C-N 3.32Å; A219-D221 PolarHBondContact O-N 2.76Å; A219-Q222 PolarHBondContact O-N 3.16Å; A219-M223 HydrophobicContact CB-CE 4.38Å; A219-M223 WeakPolarHBondContact O-CG 3.47Å; A219-M223 PolarHBondContact O-N 2.99Å
220F98.5Very high98.1Very high3 Ų352.3 Ų52.31%0.01327%0.271CS..Hα-helixtrans-63-36.7178.4-61.9-46.8000112.8L215 N216 E217 Q222 M223 I229 I238 A242 A243 A246 K251 I252L215-F220 HydrophobicContact CB-CE1 3.85Å; L215-F220 HydrophobicContact CB-CZ 3.86Å; L215-F220 HydrophobicContact CD1-CE1 4.46Å; L215-F220 WeakPolarHBondContact O-CZ 3.4Å; N216-F220 WeakPolarHBondContact O-CD2 3.34Å; N216-F220 WeakPolarHBondContact O-CG 3.42Å; N216-F220 PolarHBondContact O-N 3.39Å; E217-F220 PolarHBondContact O-N 2.91Å; E217-F220 VanDerWaalsContact O-N 3.15Å; F220-Q222 VanDerWaalsContact C-N 3.25Å; F220-Q222 PolarHBondContact O-N 3.23Å; F220-M223 HydrophobicContact CD1-CE 3.97Å; F220-M223 HydrophobicContact CD1-SD 3.85Å; F220-M223 HydrophobicContact CE1-CE 4.34Å; F220-M223 WeakPolarHBondContact O-CB 3.41Å; F220-M223 PolarHBondContact O-N 2.86Å; F220-M223 VanDerWaalsContact O-N 3.08Å; F220-I229 HydrophobicContact CD1-CD1 4.06Å; F220-I229 HydrophobicContact CE1-CD1 3.69Å; F220-I238 HydrophobicContact CZ-CG2 4.16Å; F220-A242 HydrophobicContact CD2-CB 3.99Å; F220-A242 HydrophobicContact CE2-CB 3.77Å; F220-A243 HydrophobicContact CE2-CB 4.08Å; F220-A243 HydrophobicContact CZ-CB 3.96Å; F220-A246 HydrophobicContact CB-CB 4Å; F220-A246 HydrophobicContact CD2-CB 3.98Å; F220-A246 HydrophobicContact CG-CB 3.94Å; F220-K251 HydrophobicContact CB-CG 4.4Å; F220-K251 WeakPolarHBondContact O-CD 3.37Å; F220-K251 WeakPolarHBondContact O-CE 3.48Å; F220-K251 VanDerWaalsContact O-CG 3.29Å; F220-K251 WeakPolarHBondContact O-CG 3.48Å; F220-I252 HydrophobicContact CD1-CD1 3.9Å; F220-I252 HydrophobicContact CD1-CG1 4.27Å; F220-I252 HydrophobicContact CE1-CD1 3.74Å; F220-I252 HydrophobicContact CG-CD1 4.45Å; F220-I252 HydrophobicContact CZ-CD1 4.14Å
221D98.2Very high98.2Very high109 Ų10944.7 Ų44.758%0.58324%0.235SC*.Hα-helixtrans-61.2-35.1177.6-78.6-17.3000113E217 A219 M223 K251E217-D221 PolarHBondContact O-N 3.18Å; A219-D221 VanDerWaalsContact C-N 3.32Å; A219-D221 PolarHBondContact O-N 2.76Å; D221-M223 VanDerWaalsContact C-N 3.27Å; D221-M223 PolarHBondContact O-N 2.93Å; D221-K251 PolarHBondContact O-NZ 3.4Å
222Q98.5Very high98.2Very high84 Ų8444.2 Ų44.239%0.39323%0.233SC..Hα-helixtrans-74.1-16.5177.6-69.3171.279.300113.1F195 S196 A218 A219 F220F195-Q222 HydrophobicContact CB-CB 4.03Å; F195-Q222 HydrophobicContact CD2-CB 4.5Å; S196-Q222 VanDerWaalsContact CA-O 3.29Å; S196-Q222 WeakPolarHBondContact CA-O 3.4Å; A218-Q222 WeakPolarHBondContact O-CG 3.38Å; A218-Q222 PolarHBondContact O-NE2 2.99Å; A219-Q222 PolarHBondContact O-N 3.16Å; F220-Q222 VanDerWaalsContact C-N 3.25Å; F220-Q222 PolarHBondContact O-N 3.23Å
223M98.7Very high98.1Very high5 Ų538.3 Ų38.33%0.02521%0.212CC..SBendtrans-78.8157.4-176.4-65174.7-168.700113.2F195 I201 L215 A219 F220 D221 V227 I229 K251F195-M223 HydrophobicContact CB-CG 4Å; F195-M223 HydrophobicContact CD1-CE 3.74Å; F195-M223 HydrophobicContact CE1-CE 3.99Å; F195-M223 HydrophobicContact CG-CE 4.25Å; F195-M223 HydrophobicContact CG-CG 4.48Å; F195-M223 WeakPolarHBondContact O-CA 3.11Å; I201-M223 HydrophobicContact CD1-CE 3.78Å; I201-M223 HydrophobicContact CD1-CG 4.12Å; I201-M223 HydrophobicContact CD1-SD 3.85Å; L215-M223 HydrophobicContact CD1-CE 4.32Å; L215-M223 HydrophobicContact CD2-CE 3.85Å; A219-M223 HydrophobicContact CB-CE 4.38Å; A219-M223 WeakPolarHBondContact O-CG 3.47Å; A219-M223 PolarHBondContact O-N 2.99Å; F220-M223 HydrophobicContact CD1-CE 3.97Å; F220-M223 HydrophobicContact CD1-SD 3.85Å; F220-M223 HydrophobicContact CE1-CE 4.34Å; F220-M223 WeakPolarHBondContact O-CB 3.41Å; F220-M223 PolarHBondContact O-N 2.86Å; F220-M223 VanDerWaalsContact O-N 3.08Å; D221-M223 VanDerWaalsContact C-N 3.27Å; D221-M223 PolarHBondContact O-N 2.93Å; M223-V227 HydrophobicContact CB-CB 4.42Å; M223-V227 HydrophobicContact CB-CG1 3.95Å; M223-V227 HydrophobicContact CG-CG1 4.5Å; M223-V227 HydrophobicContact SD-CG1 3.91Å; M223-I229 HydrophobicContact CE-CD1 4.35Å; M223-I229 HydrophobicContact SD-CD1 3.81Å; M223-I229 HydrophobicContact SD-CG1 4.46Å; M223-K251 HydrophobicContact CB-CD 4.37Å; M223-K251 WeakPolarHBondContact O-CD 3.48Å; M223-K251 PolarHBondContact O-NZ 3.21Å
224K98.7Very high97.8Very high78 Ų7840.2 Ų40.234%0.33922%0.218SC..PPolyproline II helixtrans-60.7144.1170.4-60.3174.277.2174.80110.5S196 S198 D199 G226 V227S196-K224 WeakPolarHBondContact O-CG 3.44Å; S198-K224 WeakPolarHBondContact O-CD 3.39Å; D199-K224 VanDerWaalsContact CG-NZ 3.35Å; D199-K224 WeakPolarHBondContact OD1-CE 3.45Å; D199-K224 IonicContact OD1-NZ 3.36Å; D199-K224 PolarHBondContact OD1-NZ 3.38Å; D199-K224 IonicContact OD2-NZ 3.64Å; K224-G226 PolarHBondContact O-N 3.46Å; K224-V227 WeakPolarHBondContact O-CB 3.31Å; K224-V227 PolarHBondContact O-N 2.86Å
225N98.3Very high97.6Very high130 Ų13039 Ų3970%0.69521%0.212SC*.THydrogen-bonded Turntrans-64.9131.8171.5-68-16.2000109.9K251N225-K251 VanDerWaalsContact OD1-CE 3.31Å; N225-K251 WeakPolarHBondContact OD1-CE 3.34Å; N225-K251 PolarHBondContact OD1-NZ 3.43Å
226G97.9Very high97.3Very high43 Ų4339.7 Ų39.744%0.44322%0.218SC..THydrogen-bonded Turntrans82.114.7-177.100000114.9K224 Q250 K251K224-G226 PolarHBondContact O-N 3.46Å; G226-Q250 PolarHBondContact N-O 2.96Å; G226-K251 PolarHBondContact N-O 3.25Å
227V98.7Very high97.3Very high1 Ų136.8 Ų36.81%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-56.3143.4178.766.10000111.8I201 M223 K224 I229 K251 G253 S254I201-V227 HydrophobicContact CD1-CG2 4.15Å; I201-V227 HydrophobicContact CG1-CG2 4.28Å; M223-V227 HydrophobicContact CB-CB 4.42Å; M223-V227 HydrophobicContact CB-CG1 3.95Å; M223-V227 HydrophobicContact CG-CG1 4.5Å; M223-V227 HydrophobicContact SD-CG1 3.91Å; K224-V227 WeakPolarHBondContact O-CB 3.31Å; K224-V227 PolarHBondContact O-N 2.86Å; V227-I229 HydrophobicContact CG1-CD1 4.25Å; V227-I229 HydrophobicContact CG1-CG1 4.28Å; V227-I229 HydrophobicContact CG2-CG1 4.45Å; V227-K251 PolarHBondContact N-O 3.42Å; V227-G253 PolarHBondContact O-N 3.43Å; V227-S254 PolarHBondContact O-N 3.49Å
228M98.8Very high97.3Very high1 Ų130.3 Ų30.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-95.4131.1168.9178.6173.9-73.400110.2M113 L116 N117 F140 D199 V200 I201 V230 S254M113-M228 HydrophobicContact CB-SD 3.92Å; M113-M228 HydrophobicContact CG-SD 4.01Å; L116-M228 HydrophobicContact CB-CE 3.78Å; N117-M228 HydrophobicContact CB-CE 3.97Å; F140-M228 HydrophobicContact CE1-CE 3.89Å; F140-M228 HydrophobicContact CZ-CE 4.14Å; F140-M228 HydrophobicContact CZ-SD 4.43Å; D199-M228 PolarHBondContact O-N 2.74Å; V200-M228 CarbonylContact C-O 3.54Å; V200-M228 VanDerWaalsContact CA-O 3.31Å; V200-M228 WeakPolarHBondContact CA-O 3.38Å; V200-M228 HydrophobicContact CB-CB 4.48Å; V200-M228 HydrophobicContact CG1-CB 4.27Å; V200-M228 HydrophobicContact CG1-CG 4.21Å; V200-M228 HydrophobicContact CG1-SD 4.31Å; V200-M228 HydrophobicContact CG2-CB 4.17Å; I201-M228 PolarHBondContact N-O 3.43Å; M228-V230 HydrophobicContact CG-CG2 4.48Å; M228-S254 CarbonylContact C-O 3.56Å; M228-S254 WeakPolarHBondContact CA-O 3.21Å
229I98.8Very high97.1Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-121.3134177.3-62169000108.8I201 L215 F220 M223 V227 I238 I252 S254 L255 G256I201-I229 HydrophobicContact CB-CG1 4.49Å; I201-I229 CarbonylContact O-C 3.4Å; I201-I229 WeakPolarHBondContact O-CA 3.43Å; L215-I229 HydrophobicContact CD1-CD1 4.45Å; L215-I229 HydrophobicContact CD1-CG2 3.89Å; F220-I229 HydrophobicContact CD1-CD1 4.06Å; F220-I229 HydrophobicContact CE1-CD1 3.69Å; M223-I229 HydrophobicContact CE-CD1 4.35Å; M223-I229 HydrophobicContact SD-CD1 3.81Å; M223-I229 HydrophobicContact SD-CG1 4.46Å; V227-I229 HydrophobicContact CG1-CD1 4.25Å; V227-I229 HydrophobicContact CG1-CG1 4.28Å; V227-I229 HydrophobicContact CG2-CG1 4.45Å; I229-I238 HydrophobicContact CG2-CD1 4.08Å; I229-I252 HydrophobicContact CD1-CD1 3.87Å; I229-I252 HydrophobicContact CD1-CG1 3.87Å; I229-I252 HydrophobicContact CD1-CG2 4.46Å; I229-S254 PolarHBondContact N-O 3.13Å; I229-L255 HydrophobicContact CB-CD1 3.93Å; I229-L255 HydrophobicContact CG2-CD1 3.89Å; I229-L255 CarbonylContact O-C 3.54Å; I229-L255 WeakPolarHBondContact O-CA 3.4Å; I229-G256 PolarHBondContact O-N 2.88Å
230V98.7Very high96.9Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-127.1130.8173.2177.50000110.5A109 M112 M113 I201 S202 L203 M228 T232 G256A109-V230 HydrophobicContact CB-CG1 4.01Å; M112-V230 HydrophobicContact CB-CG1 4.46Å; M112-V230 HydrophobicContact SD-CG1 4.4Å; M113-V230 HydrophobicContact CE-CB 3.86Å; M113-V230 HydrophobicContact CE-CG2 3.85Å; M113-V230 HydrophobicContact CG-CB 4.38Å; M113-V230 HydrophobicContact CG-CG2 3.49Å; M113-V230 VanDerWaalsContact CG-CG2 3.49Å; I201-V230 PolarHBondContact O-N 3.16Å; S202-V230 WeakPolarHBondContact CA-O 3.36Å; L203-V230 PolarHBondContact N-O 3.18Å; M228-V230 HydrophobicContact CG-CG2 4.48Å; V230-T232 HydrophobicContact CG1-CG2 4.2Å; V230-G256 CarbonylContact C-O 3.57Å; V230-G256 VanDerWaalsContact CA-O 3.3Å; V230-G256 WeakPolarHBondContact CA-O 3.33Å
231N98.3Very high96.5Very high0 Ų035.9 Ų35.90%019%0.191CC..EExtended strand (participates in β ladder)trans-125.3109.7176.9-172.96.7000110.7L203 S233 R234 I238 G256 D258L203-N231 HydrophobicContact CD1-CB 4.04Å; N231-S233 WeakPolarHBondContact OD1-CB 3.36Å; N231-S233 PolarHBondContact OD1-N 3.37Å; N231-R234 PolarHBondContact ND2-O 3.29Å; N231-I238 HydrophobicContact CB-CD1 3.7Å; N231-G256 PolarHBondContact N-O 3.25Å; N231-D258 PolarHBondContact O-N 3.04Å
232T97.2Very high96.4Very high13 Ų1331.5 Ų31.58%0.0817%0.169CC..  trans-115.316.7169.761.40000112A109 M112 H204 V230 D258A109-T232 HydrophobicContact CB-CG2 3.82Å; M112-T232 HydrophobicContact SD-CG2 4.31Å; H204-T232 PolarHBondContact CE1-OG1 3.48Å; V230-T232 HydrophobicContact CG1-CG2 4.2Å; T232-D258 HydrophobicContact CG2-CB 3.9Å
233S94.2Very high96.3Very high15 Ų1527.5 Ų27.511%0.10515%0.151CC..SBendtrans-95.5-88.2-177.5-71.30000111.6L203 H204 C205 N231 L237L203-S233 PolarHBondContact O-OG 2.98Å; H204-S233 WeakPolarHBondContact CA-OG 3.31Å; H204-S233 PolarHBondContact N-OG 3.39Å; C205-S233 PolarHBondContact N-OG 3.01Å; C205-S233 WeakPolarHBondContact O-CB 3.46Å; C205-S233 PolarHBondContact O-OG 2.85Å; N231-S233 WeakPolarHBondContact OD1-CB 3.36Å; N231-S233 PolarHBondContact OD1-N 3.37Å; S233-L237 VanDerWaalsContact CB-CD1 3.44Å
234R91.6Very high96Very high76 Ų7627.8 Ų27.829%0.28715%0.152SC..  trans-142.7145.2174.4-70.6-65.8179.3-105.89109.4L207 N231 A236 L237 V259L207-R234 HydrophobicContact CB-CB 3.97Å; L207-R234 HydrophobicContact CB-CG 3.99Å; N231-R234 PolarHBondContact ND2-O 3.29Å; R234-A236 VanDerWaalsContact C-N 3.3Å; R234-A236 PolarHBondContact O-N 3.03Å; R234-L237 PolarHBondContact O-N 3.28Å; R234-V259 VanDerWaalsContact C-CG2 3.49Å
235G92.4Very high95.8Very high3 Ų327.6 Ų27.63%0.03115%0.152CC..G310 helixtrans-54.9-44.9-178.500000113.1L237 I238 E261G235-L237 PolarHBondContact O-N 3.18Å; G235-I238 PolarHBondContact O-N 3.04Å; G235-E261 VanDerWaalsContact C-CG 3.42Å
236A94Very high95.7Very high15 Ų1521.8 Ų21.812%0.12412%0.123CC..G310 helixtrans-70.86-173.800000116L207 Y212 H213 R234 I238 E261L207-A236 HydrophobicContact CD1-CB 3.87Å; L207-A236 HydrophobicContact CD2-CB 3.77Å; L207-A236 HydrophobicContact CG-CB 4.49Å; Y212-A236 HydrophobicContact CD2-CB 3.99Å; Y212-A236 HydrophobicContact CE2-CB 3.91Å; H213-A236 PolarHBondContact N-O 3.11Å; R234-A236 VanDerWaalsContact C-N 3.3Å; R234-A236 PolarHBondContact O-N 3.03Å; A236-I238 VanDerWaalsContact C-N 3.26Å; A236-E261 WeakPolarHBondContact CA-OE1 3.46Å; A236-E261 HydrophobicContact CB-CG 4.17Å
237L97.1Very high95.6Very high0 Ų020.3 Ų20.30%010%0.104CC..G310 helixtrans-78-16.8165.4-65.8169.6000112L203 L207 N211 L214 L215 S233 R234 G235L203-L237 HydrophobicContact CB-CD1 4.32Å; L203-L237 HydrophobicContact CD1-CB 3.84Å; L203-L237 HydrophobicContact CD1-CD1 4.26Å; L207-L237 HydrophobicContact CD1-CD2 4.08Å; L207-L237 HydrophobicContact CD1-CG 4.38Å; N211-L237 HydrophobicContact CB-CD2 4.28Å; N211-L237 WeakPolarHBondContact OD1-CD2 3.5Å; L214-L237 PolarHBondContact N-O 2.72Å; L214-L237 VanDerWaalsContact N-O 3.13Å; L215-L237 PolarHBondContact N-O 3Å; S233-L237 VanDerWaalsContact CB-CD1 3.44Å; R234-L237 PolarHBondContact O-N 3.28Å; G235-L237 PolarHBondContact O-N 3.18Å
238I97.1Very high95.4Very high2 Ų226.9 Ų26.91%0.0113%0.133CC..BIsolated β-bridgetrans-119.8122.6-178-62-172.7000108.3L203 L215 F220 I229 N231 G235 A236 S240 A243 L255 E261L203-I238 HydrophobicContact CD1-CD1 3.94Å; L203-I238 HydrophobicContact CD1-CG1 3.73Å; L215-I238 HydrophobicContact CB-CG1 4.19Å; L215-I238 HydrophobicContact CD1-CD1 4.3Å; L215-I238 HydrophobicContact CD1-CG1 4.12Å; L215-I238 HydrophobicContact CG-CG1 4.38Å; F220-I238 HydrophobicContact CZ-CG2 4.16Å; I229-I238 HydrophobicContact CG2-CD1 4.08Å; N231-I238 HydrophobicContact CB-CD1 3.7Å; G235-I238 PolarHBondContact O-N 3.04Å; A236-I238 VanDerWaalsContact C-N 3.26Å; I238-S240 PolarHBondContact O-N 3Å; I238-A243 HydrophobicContact CG2-CB 3.93Å; I238-L255 HydrophobicContact CD1-CD1 4.34Å; I238-E261 VanDerWaalsContact O-OE1 3.07Å
239D95.7Very high95.2Very high35 Ų3532.3 Ų32.319%0.18716%0.162CC..  trans-66.9103.7165.7-173.4-42.1000108.7H213 L215 N216 Q241 A242 A243H213-D239 HydrophobicContact CB-CB 4.16Å; H213-D239 IonicContact CE1-OD2 3.24Å; H213-D239 WeakPolarHBondContact ND1-CB 3.41Å; H213-D239 IonicContact ND1-OD2 3.89Å; H213-D239 PolarHBondContact ND1-OD2 2.98Å; H213-D239 VanDerWaalsContact ND1-OD2 3.11Å; L215-D239 PolarHBondContact O-N 2.83Å; N216-D239 HydrophobicContact CB-CB 4.35Å; D239-Q241 VanDerWaalsContact C-N 3.26Å; D239-Q241 PolarHBondContact O-N 2.91Å; D239-Q241 PolarHBondContact OD1-N 3.42Å; D239-A242 HydrophobicContact CB-CB 3.91Å; D239-A242 PolarHBondContact O-N 2.97Å; D239-A242 PolarHBondContact OD1-N 2.85Å; D239-A243 WeakPolarHBondContact O-CB 3.5Å; D239-A243 PolarHBondContact O-N 3.26Å
240S92.6Very high95Very high8 Ų839.7 Ų39.76%0.05620%0.197CC..Hα-helixtrans-63.8-30.9-174.155.70000112.8I238 I244 E261I238-S240 PolarHBondContact O-N 3Å; S240-I244 WeakPolarHBondContact O-CG1 3.5Å; S240-I244 PolarHBondContact O-N 3.36Å; S240-E261 WeakPolarHBondContact CB-OE2 3.05Å; S240-E261 PolarHBondContact OG-OE2 3.14Å
241Q92Very high95Very high136 Ų13641.3 Ų41.364%0.63620%0.204SC*.Hα-helixtrans-73.3-45.6177.1-62.5-17616.500111.2D239 A243 I244 E245 V280D239-Q241 VanDerWaalsContact C-N 3.26Å; D239-Q241 PolarHBondContact O-N 2.91Å; D239-Q241 PolarHBondContact OD1-N 3.42Å; Q241-A243 VanDerWaalsContact C-N 3.28Å; Q241-A243 PolarHBondContact O-N 3Å; Q241-I244 WeakPolarHBondContact O-CB 3.27Å; Q241-I244 PolarHBondContact O-N 3.09Å; Q241-E245 PolarHBondContact O-N 2.81Å; Q241-V280 HydrophobicContact CG-CG2 4.38Å
242A95.4Very high95Very high16 Ų1641.4 Ų41.413%0.13220%0.204CC..Hα-helixtrans-63-37.3175.400000111.5E217 F220 D239 I244 E245 A246E217-A242 HydrophobicContact CB-CB 4.11Å; F220-A242 HydrophobicContact CD2-CB 3.99Å; F220-A242 HydrophobicContact CE2-CB 3.77Å; D239-A242 HydrophobicContact CB-CB 3.91Å; D239-A242 PolarHBondContact O-N 2.97Å; D239-A242 PolarHBondContact OD1-N 2.85Å; A242-I244 VanDerWaalsContact C-N 3.32Å; A242-I244 PolarHBondContact O-N 3.45Å; A242-E245 PolarHBondContact O-N 3.18Å; A242-A246 WeakPolarHBondContact O-CB 3.46Å; A242-A246 PolarHBondContact O-N 3.47Å
243A95.7Very high95Very high0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-62-38175.800000112.4F220 I238 D239 Q241 A246 L247 I252F220-A243 HydrophobicContact CE2-CB 4.08Å; F220-A243 HydrophobicContact CZ-CB 3.96Å; I238-A243 HydrophobicContact CG2-CB 3.93Å; D239-A243 WeakPolarHBondContact O-CB 3.5Å; D239-A243 PolarHBondContact O-N 3.26Å; Q241-A243 VanDerWaalsContact C-N 3.28Å; Q241-A243 PolarHBondContact O-N 3Å; A243-A246 PolarHBondContact O-N 2.88Å; A243-L247 WeakPolarHBondContact O-CB 3.42Å; A243-L247 VanDerWaalsContact O-CG 3.31Å; A243-L247 WeakPolarHBondContact O-CG 3.48Å; A243-L247 PolarHBondContact O-N 2.92Å; A243-I252 HydrophobicContact CB-CD1 4.27Å
244I93.1Very high95.2Very high12 Ų1241.1 Ų41.16%0.06221%0.205CC..Hα-helixtrans-61.1-47.8175.2-72.5169.2000111.1S240 Q241 A242 L247 K248 V280 R283 L284S240-I244 WeakPolarHBondContact O-CG1 3.5Å; S240-I244 PolarHBondContact O-N 3.36Å; Q241-I244 WeakPolarHBondContact O-CB 3.27Å; Q241-I244 PolarHBondContact O-N 3.09Å; A242-I244 VanDerWaalsContact C-N 3.32Å; A242-I244 PolarHBondContact O-N 3.45Å; I244-L247 PolarHBondContact O-N 3.37Å; I244-K248 WeakPolarHBondContact O-CB 3.42Å; I244-K248 PolarHBondContact O-N 2.98Å; I244-V280 HydrophobicContact CD1-CB 4.2Å; I244-V280 HydrophobicContact CD1-CG1 3.67Å; I244-V280 HydrophobicContact CD1-CG2 4.4Å; I244-R283 HydrophobicContact CD1-CB 4.05Å; I244-L284 HydrophobicContact CD1-CD2 4.41Å; I244-L284 HydrophobicContact CD1-CG 4.08Å; I244-L284 HydrophobicContact CG1-CD1 4.42Å; I244-L284 HydrophobicContact CG1-CD2 3.46Å; I244-L284 VanDerWaalsContact CG1-CD2 3.46Å; I244-L284 HydrophobicContact CG1-CG 3.66Å
245E94.5Very high95.5Very high73 Ų7337.5 Ų37.534%0.34119%0.192SC..Hα-helixtrans-68.5-36.8179.8-67.6-56.4125.900111.4Q241 A242 L247 K248 N249 R283Q241-E245 PolarHBondContact O-N 2.81Å; A242-E245 PolarHBondContact O-N 3.18Å; E245-L247 PolarHBondContact O-N 2.98Å; E245-K248 PolarHBondContact O-N 2.8Å; E245-K248 IonicContact OE1-NZ 3.85Å; E245-K248 WeakPolarHBondContact OE2-CD 3.26Å; E245-K248 IonicContact OE2-NZ 3.11Å; E245-K248 PolarHBondContact OE2-NZ 3.35Å; E245-N249 WeakPolarHBondContact O-CB 3.35Å; E245-N249 VanDerWaalsContact O-CG 3.28Å; E245-N249 PolarHBondContact O-N 3.13Å; E245-N249 PolarHBondContact O-ND2 3.45Å; E245-R283 IonicContact OE1-NH2 2.82Å; E245-R283 PolarHBondContact OE1-NH2 2.79Å
246A96.5Very high95.7Very high9 Ų937.4 Ų37.47%0.07419%0.19CC..Hα-helixtrans-65.3-36.3174.500000113F220 A242 A243 Q250 K251 I252F220-A246 HydrophobicContact CB-CB 4Å; F220-A246 HydrophobicContact CD2-CB 3.98Å; F220-A246 HydrophobicContact CG-CB 3.94Å; A242-A246 WeakPolarHBondContact O-CB 3.46Å; A242-A246 PolarHBondContact O-N 3.47Å; A243-A246 PolarHBondContact O-N 2.88Å; A246-Q250 PolarHBondContact O-N 3.3Å; A246-K251 HydrophobicContact CB-CB 4.21Å; A246-K251 HydrophobicContact CB-CG 4.47Å; A246-K251 WeakPolarHBondContact O-CB 3.46Å; A246-K251 PolarHBondContact O-N 2.87Å; A246-I252 HydrophobicContact CB-CD1 3.66Å; A246-I252 HydrophobicContact CB-CG1 3.79Å; A246-I252 PolarHBondContact O-N 2.96Å; A246-I252 VanDerWaalsContact O-N 3.14Å
247L95.9Very high95.9Very high11 Ų1136.8 Ų36.86%0.05819%0.185CC..Hα-helixtrans-64.2-46.7171-79.4162.8000111.5A243 I244 E245 N249 Q250 I252 L255 L284 N289 V290A243-L247 WeakPolarHBondContact O-CB 3.42Å; A243-L247 VanDerWaalsContact O-CG 3.31Å; A243-L247 WeakPolarHBondContact O-CG 3.48Å; A243-L247 PolarHBondContact O-N 2.92Å; I244-L247 PolarHBondContact O-N 3.37Å; E245-L247 PolarHBondContact O-N 2.98Å; L247-N249 VanDerWaalsContact C-N 3.29Å; L247-N249 PolarHBondContact O-N 2.79Å; L247-Q250 PolarHBondContact O-N 2.95Å; L247-I252 HydrophobicContact CD2-CB 3.87Å; L247-I252 HydrophobicContact CD2-CG2 3.59Å; L247-I252 HydrophobicContact CG-CB 4.05Å; L247-I252 HydrophobicContact CG-CD1 4.46Å; L247-I252 HydrophobicContact CG-CG2 4.13Å; L247-L255 HydrophobicContact CD1-CD2 4Å; L247-L255 HydrophobicContact CD2-CB 4.4Å; L247-L284 HydrophobicContact CD1-CD2 3.55Å; L247-N289 WeakPolarHBondContact CD2-ND2 3.43Å; L247-V290 HydrophobicContact CD1-CG2 3.61Å; L247-V290 HydrophobicContact CD2-CG2 3.99Å; L247-V290 HydrophobicContact CG-CG2 4.49Å
248K93.6Very high95.8Very high139 Ų13936.8 Ų36.860%0.60419%0.185SC*.Hα-helixtrans-60.5-39178.2174.8-178.2156.3-154.70112.1I244 E245 Q250I244-K248 WeakPolarHBondContact O-CB 3.42Å; I244-K248 PolarHBondContact O-N 2.98Å; E245-K248 PolarHBondContact O-N 2.8Å; E245-K248 IonicContact OE1-NZ 3.85Å; E245-K248 WeakPolarHBondContact OE2-CD 3.26Å; E245-K248 IonicContact OE2-NZ 3.11Å; E245-K248 PolarHBondContact OE2-NZ 3.35Å; K248-Q250 PolarHBondContact O-N 2.78Å
249N94.8Very high95.4Very high116 Ų11636.7 Ų36.762%0.6219%0.185SC*.THydrogen-bonded Turntrans-81.35.8177.4-65.9-24.8000113.5E245 L247 K251E245-N249 WeakPolarHBondContact O-CB 3.35Å; E245-N249 VanDerWaalsContact O-CG 3.28Å; E245-N249 PolarHBondContact O-N 3.13Å; E245-N249 PolarHBondContact O-ND2 3.45Å; L247-N249 VanDerWaalsContact C-N 3.29Å; L247-N249 PolarHBondContact O-N 2.79Å; N249-K251 PolarHBondContact O-N 2.98Å
250Q95.2Very high94.9Very high155 Ų15535.2 Ų35.272%0.72418%0.176SC*.THydrogen-bonded Turntrans57.218.6-176.7-53.9-176.4-1.300114.2G226 A246 L247 K248G226-Q250 PolarHBondContact N-O 2.96Å; A246-Q250 PolarHBondContact O-N 3.3Å; L247-Q250 PolarHBondContact O-N 2.95Å; K248-Q250 PolarHBondContact O-N 2.78Å
251K97.7Very high94.3Very high34 Ų3437.3 Ų37.315%0.14819%0.185CC..SBendtrans-65.8-52.9169.9174.563.374.8175.40108.9F220 D221 M223 N225 G226 V227 A246 N249 G253F220-K251 HydrophobicContact CB-CG 4.4Å; F220-K251 WeakPolarHBondContact O-CD 3.37Å; F220-K251 WeakPolarHBondContact O-CE 3.48Å; F220-K251 VanDerWaalsContact O-CG 3.29Å; F220-K251 WeakPolarHBondContact O-CG 3.48Å; D221-K251 PolarHBondContact O-NZ 3.4Å; M223-K251 HydrophobicContact CB-CD 4.37Å; M223-K251 WeakPolarHBondContact O-CD 3.48Å; M223-K251 PolarHBondContact O-NZ 3.21Å; N225-K251 VanDerWaalsContact OD1-CE 3.31Å; N225-K251 WeakPolarHBondContact OD1-CE 3.34Å; N225-K251 PolarHBondContact OD1-NZ 3.43Å; G226-K251 PolarHBondContact N-O 3.25Å; V227-K251 PolarHBondContact N-O 3.42Å; A246-K251 HydrophobicContact CB-CB 4.21Å; A246-K251 HydrophobicContact CB-CG 4.47Å; A246-K251 WeakPolarHBondContact O-CB 3.46Å; A246-K251 PolarHBondContact O-N 2.87Å; N249-K251 PolarHBondContact O-N 2.98Å; K251-G253 PolarHBondContact O-N 3.47Å
252I98Very high93.7Very high1 Ų135.3 Ų35.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-83.2115.4171-60.4173.5000108.4F220 I229 A243 A246 L247 S254 L255 N289F220-I252 HydrophobicContact CD1-CD1 3.9Å; F220-I252 HydrophobicContact CD1-CG1 4.27Å; F220-I252 HydrophobicContact CE1-CD1 3.74Å; F220-I252 HydrophobicContact CG-CD1 4.45Å; F220-I252 HydrophobicContact CZ-CD1 4.14Å; I229-I252 HydrophobicContact CD1-CD1 3.87Å; I229-I252 HydrophobicContact CD1-CG1 3.87Å; I229-I252 HydrophobicContact CD1-CG2 4.46Å; A243-I252 HydrophobicContact CB-CD1 4.27Å; A246-I252 HydrophobicContact CB-CD1 3.66Å; A246-I252 HydrophobicContact CB-CG1 3.79Å; A246-I252 PolarHBondContact O-N 2.96Å; A246-I252 VanDerWaalsContact O-N 3.14Å; L247-I252 HydrophobicContact CD2-CB 3.87Å; L247-I252 HydrophobicContact CD2-CG2 3.59Å; L247-I252 HydrophobicContact CG-CB 4.05Å; L247-I252 HydrophobicContact CG-CD1 4.46Å; L247-I252 HydrophobicContact CG-CG2 4.13Å; I252-S254 WeakPolarHBondContact CG2-O 3.17Å; I252-L255 HydrophobicContact CG2-CB 4.16Å; I252-N289 PolarHBondContact O-ND2 2.89Å
253G97.5Very high93Very high17 Ų1736 Ų3618%0.17518%0.18CC..EExtended strand (participates in β ladder)trans-81.4-32176.100000112.6V227 K251 N289V227-G253 PolarHBondContact O-N 3.43Å; K251-G253 PolarHBondContact O-N 3.47Å; G253-N289 WeakPolarHBondContact O-CB 3.24Å; G253-N289 PolarHBondContact O-ND2 3.43Å
254S98.1Very high91.9Very high5 Ų542 Ų424%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-155.5141.1177.3-67.30000111.8R119 V227 M228 I229 I252 N289R119-S254 PolarHBondContact NH2-OG 2.97Å; V227-S254 PolarHBondContact O-N 3.49Å; M228-S254 CarbonylContact C-O 3.56Å; M228-S254 WeakPolarHBondContact CA-O 3.21Å; I229-S254 PolarHBondContact N-O 3.13Å; I252-S254 WeakPolarHBondContact CG2-O 3.17Å; S254-N289 VanDerWaalsContact CA-O 3.29Å; S254-N289 WeakPolarHBondContact CA-O 3.32Å
255L98.1Very high91.1Very high1 Ų147.7 Ų47.71%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-130.7121-179.8-179.861.4000110.4I229 I238 L247 I252 M257 L284 N289 V290 L291I229-L255 HydrophobicContact CB-CD1 3.93Å; I229-L255 HydrophobicContact CG2-CD1 3.89Å; I229-L255 CarbonylContact O-C 3.54Å; I229-L255 WeakPolarHBondContact O-CA 3.4Å; I238-L255 HydrophobicContact CD1-CD1 4.34Å; L247-L255 HydrophobicContact CD1-CD2 4Å; L247-L255 HydrophobicContact CD2-CB 4.4Å; I252-L255 HydrophobicContact CG2-CB 4.16Å; L255-M257 HydrophobicContact CD1-CG 3.99Å; L255-M257 HydrophobicContact CD1-SD 4.26Å; L255-M257 HydrophobicContact CD2-CG 4.33Å; L255-M257 HydrophobicContact CD2-SD 3.73Å; L255-M257 HydrophobicContact CG-CG 3.91Å; L255-M257 HydrophobicContact CG-SD 4Å; L255-L284 HydrophobicContact CD2-CD2 4.22Å; L255-N289 PolarHBondContact N-O 3.33Å; L255-V290 HydrophobicContact CB-CG1 4.4Å; L255-V290 HydrophobicContact CB-CG2 4.19Å; L255-V290 HydrophobicContact CD2-CG1 4.44Å; L255-V290 HydrophobicContact CG-CG1 4.49Å; L255-V290 CarbonylContact O-C 3.57Å; L255-V290 VanDerWaalsContact O-CA 3.25Å; L255-V290 WeakPolarHBondContact O-CA 3.24Å; L255-L291 PolarHBondContact O-N 2.89Å
256G97.9Very high90.3Very high0 Ų045.5 Ų45.50%022%0.223CC..EExtended strand (participates in β ladder)trans-109.5124.5171.800000110.3I229 V230 N231 L291I229-G256 PolarHBondContact O-N 2.88Å; V230-G256 CarbonylContact C-O 3.57Å; V230-G256 VanDerWaalsContact CA-O 3.3Å; V230-G256 WeakPolarHBondContact CA-O 3.33Å; N231-G256 PolarHBondContact N-O 3.25Å; G256-L291 WeakPolarHBondContact CA-O 3.29Å
257M96.5Very high89.7Confident2 Ų245.7 Ų45.71%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-131.2115-179.8-68.3-178.670.700110.5M112 L255 V259 Y260 L291 F292 T293M112-M257 VanDerWaalsContact CE-N 3.3Å; L255-M257 HydrophobicContact CD1-CG 3.99Å; L255-M257 HydrophobicContact CD1-SD 4.26Å; L255-M257 HydrophobicContact CD2-CG 4.33Å; L255-M257 HydrophobicContact CD2-SD 3.73Å; L255-M257 HydrophobicContact CG-CG 3.91Å; L255-M257 HydrophobicContact CG-SD 4Å; M257-V259 VanDerWaalsContact C-N 3.34Å; M257-V259 VanDerWaalsContact CE-O 3.26Å; M257-V259 WeakPolarHBondContact CE-O 3.26Å; M257-Y260 HydrophobicContact CE-CD2 4.07Å; M257-L291 PolarHBondContact N-O 3.48Å; M257-F292 HydrophobicContact CB-CD1 3.64Å; M257-F292 HydrophobicContact CB-CE1 3.54Å; M257-F292 HydrophobicContact CB-CZ 4.5Å; M257-F292 HydrophobicContact CE-CE1 4.22Å; M257-F292 HydrophobicContact CG-CE1 4.14Å; M257-F292 VanDerWaalsContact O-CA 3.28Å; M257-F292 WeakPolarHBondContact O-CA 3.25Å; M257-F292 HydrophobicContact SD-CE1 3.7Å; M257-F292 HydrophobicContact SD-CZ 4.02Å; M257-T293 PolarHBondContact O-N 2.68Å
258D95.8Very high88.8Confident1 Ų146.9 Ų46.91%0.00523%0.227CC..SBendtrans-89.5-10.1169.4-167.454.7000112.2H108 M112 N231 T232 F267 T293 H295 Q296 A297H108-D258 IonicContact CD2-OD1 3.13Å; H108-D258 IonicContact NE2-OD1 3.87Å; H108-D258 PolarHBondContact NE2-OD1 2.8Å; M112-D258 HydrophobicContact SD-CB 4.27Å; N231-D258 PolarHBondContact O-N 3.04Å; T232-D258 HydrophobicContact CG2-CB 3.9Å; D258-F267 WeakPolarHBondContact O-CE2 3.46Å; D258-T293 CarbonylContact C-O 3.47Å; D258-T293 WeakPolarHBondContact CA-O 3.13Å; D258-T293 WeakPolarHBondContact CA-OG1 3.28Å; D258-T293 VanDerWaalsContact O-O 3.11Å; D258-T293 VanDerWaalsContact OD1-CB 3.23Å; D258-T293 WeakPolarHBondContact OD1-CB 3.45Å; D258-T293 PolarHBondContact OD1-OG1 3.48Å; D258-H295 WeakPolarHBondContact O-CA 3.4Å; D258-H295 PolarHBondContact O-N 3.25Å; D258-H295 PolarHBondContact OD1-N 3.29Å; D258-H295 WeakPolarHBondContact OD2-CA 3.23Å; D258-Q296 VanDerWaalsContact CG-N 3.26Å; D258-Q296 PolarHBondContact OD1-N 3.37Å; D258-Q296 PolarHBondContact OD2-N 2.75Å; D258-A297 WeakPolarHBondContact OD2-CB 3.46Å; D258-A297 PolarHBondContact OD2-N 3.49Å
259V89.2Confident88.1Confident0 Ų044.8 Ų44.80%022%0.22CC..  trans-136.9150.3-173.7-69.60000109.7R234 M257 E263R234-V259 VanDerWaalsContact C-CG2 3.49Å; M257-V259 VanDerWaalsContact C-N 3.34Å; M257-V259 VanDerWaalsContact CE-O 3.26Å; M257-V259 WeakPolarHBondContact CE-O 3.26Å; V259-E263 WeakPolarHBondContact CA-OE2 3.48Å; V259-E263 VanDerWaalsContact CB-OE2 3.29Å; V259-E263 WeakPolarHBondContact CB-OE2 3.19Å
260Y85.3Confident87.5Confident3 Ų345.3 Ų45.31%0.01222%0.222CC..  trans-142.4151.1-179.7-178.6-116.1000111.6M257 N262 E263 L266 D278 V280 F281 L284M257-Y260 HydrophobicContact CE-CD2 4.07Å; Y260-N262 VanDerWaalsContact C-N 3.27Å; Y260-N262 HydrophobicContact CD1-CB 4.21Å; Y260-N262 HydrophobicContact CE1-CB 3.85Å; Y260-N262 PolarHBondContact O-N 3.4Å; Y260-E263 PolarHBondContact N-OE2 2.92Å; Y260-E263 VanDerWaalsContact O-CB 3.23Å; Y260-E263 WeakPolarHBondContact O-CB 3.38Å; Y260-E263 VanDerWaalsContact O-CG 3.27Å; Y260-E263 WeakPolarHBondContact O-CG 3.43Å; Y260-E263 PolarHBondContact O-N 3.44Å; Y260-E263 VanDerWaalsContact O-N 3.12Å; Y260-L266 HydrophobicContact CD1-CD1 3.83Å; Y260-L266 HydrophobicContact CE1-CD1 3.86Å; Y260-D278 WeakPolarHBondContact CE1-OD2 3.26Å; Y260-D278 VanDerWaalsContact OH-CG 3.31Å; Y260-D278 PolarHBondContact OH-OD1 3.19Å; Y260-D278 PolarHBondContact OH-OD2 2.8Å; Y260-V280 HydrophobicContact CE2-CG1 4.32Å; Y260-V280 WeakPolarHBondContact OH-CB 3.5Å; Y260-V280 VanDerWaalsContact OH-CG1 3.29Å; Y260-V280 WeakPolarHBondContact OH-CG1 3.41Å; Y260-F281 HydrophobicContact CD1-CD2 4.1Å; Y260-F281 HydrophobicContact CE1-CB 3.99Å; Y260-F281 HydrophobicContact CE1-CD2 4.22Å; Y260-F281 HydrophobicContact CG-CD2 4.32Å; Y260-F281 PolarHBondContact OH-N 3.09Å; Y260-L284 HydrophobicContact CE2-CD1 4.37Å
261E80.2Confident86.8Confident52 Ų5241.4 Ų41.424%0.24320%0.203CC..THydrogen-bonded Turntrans-57.7-42.7-173.7-69.2-179.3137.400112H213 G235 A236 I238 S240H213-E261 IonicContact CD2-OE1 2.67Å; H213-E261 PolarHBondContact CD2-OE1 3.01Å; H213-E261 IonicContact CE1-OE1 3.11Å; H213-E261 IonicContact NE2-OE1 3.72Å; H213-E261 PolarHBondContact NE2-OE1 2.82Å; G235-E261 VanDerWaalsContact C-CG 3.42Å; A236-E261 WeakPolarHBondContact CA-OE1 3.46Å; A236-E261 HydrophobicContact CB-CG 4.17Å; I238-E261 VanDerWaalsContact O-OE1 3.07Å; S240-E261 WeakPolarHBondContact CB-OE2 3.05Å; S240-E261 PolarHBondContact OG-OE2 3.14Å
262N79.6Confident85.8Confident94 Ų9444 Ų4450%0.50323%0.225SC..THydrogen-bonded Turntrans-105.337178.5-52-42.6000111.2Y260 R264 D278Y260-N262 VanDerWaalsContact C-N 3.27Å; Y260-N262 HydrophobicContact CD1-CB 4.21Å; Y260-N262 HydrophobicContact CE1-CB 3.85Å; Y260-N262 PolarHBondContact O-N 3.4Å; N262-R264 VanDerWaalsContact C-N 3.27Å; N262-R264 PolarHBondContact O-N 3.28Å; N262-D278 PolarHBondContact ND2-OD2 3.3Å
263E79.9Confident84.8Confident31 Ų3151.1 Ų51.115%0.14526%0.263CS..G310 helixtrans-64.7-26.3-173.564.9-177-144.500114.5V259 Y260 D265 L266 F267 H295V259-E263 WeakPolarHBondContact CA-OE2 3.48Å; V259-E263 VanDerWaalsContact CB-OE2 3.29Å; V259-E263 WeakPolarHBondContact CB-OE2 3.19Å; Y260-E263 PolarHBondContact N-OE2 2.92Å; Y260-E263 VanDerWaalsContact O-CB 3.23Å; Y260-E263 WeakPolarHBondContact O-CB 3.38Å; Y260-E263 VanDerWaalsContact O-CG 3.27Å; Y260-E263 WeakPolarHBondContact O-CG 3.43Å; Y260-E263 PolarHBondContact O-N 3.44Å; Y260-E263 VanDerWaalsContact O-N 3.12Å; E263-D265 VanDerWaalsContact C-N 3.31Å; E263-D265 PolarHBondContact O-N 3.39Å; E263-L266 PolarHBondContact O-N 3.35Å; E263-F267 HydrophobicContact CB-CB 4.49Å; E263-F267 HydrophobicContact CB-CD1 4.35Å; E263-F267 HydrophobicContact CB-CD2 3.61Å; E263-F267 HydrophobicContact CB-CE2 3.81Å; E263-F267 HydrophobicContact CB-CG 3.9Å; E263-F267 HydrophobicContact CB-CZ 4.27Å; E263-F267 HydrophobicContact CG-CD2 4.43Å; E263-F267 WeakPolarHBondContact O-CB 3.49Å; E263-F267 PolarHBondContact O-N 2.99Å; E263-H295 IonicContact OE1-CE1 3.42Å; E263-H295 IonicContact OE1-ND1 3.92Å; E263-H295 PolarHBondContact OE1-ND1 3.03Å; E263-H295 VanDerWaalsContact OE1-ND1 3.11Å
264R73.3Confident84Confident126 Ų12654.5 Ų54.548%0.47528%0.277SS..G310 helixtrans-53.6-44-172-173.4-179.5-177.2174.21.9113.3N53 N262 L266N53-R264 PolarHBondContact ND2-O 3.4Å; N262-R264 VanDerWaalsContact C-N 3.27Å; N262-R264 PolarHBondContact O-N 3.28Å; R264-L266 VanDerWaalsContact C-N 3.35Å
265D76.2Confident83.2Confident132 Ų13259.1 Ų59.171%0.70631%0.305SS*.G310 helixtrans-88-6.6-176.6-63.5-31.4000113.2E263E263-D265 VanDerWaalsContact C-N 3.31Å; E263-D265 PolarHBondContact O-N 3.39Å
266L77.5Confident82.5Confident26 Ų2661 Ų6114%0.13632%0.315CS..THydrogen-bonded Turntrans-109.4-40.1-173-64.7175.6000112.9Y260 E263 R264 I276 D278 F281Y260-L266 HydrophobicContact CD1-CD1 3.83Å; Y260-L266 HydrophobicContact CE1-CD1 3.86Å; E263-L266 PolarHBondContact O-N 3.35Å; R264-L266 VanDerWaalsContact C-N 3.35Å; L266-I276 HydrophobicContact CD2-CG2 3.71Å; L266-D278 HydrophobicContact CD1-CB 4.36Å; L266-F281 HydrophobicContact CD1-CB 4.11Å; L266-F281 HydrophobicContact CD1-CD1 4.36Å; L266-F281 HydrophobicContact CD1-CD2 3.99Å; L266-F281 HydrophobicContact CD1-CG 3.87Å
267F82.5Confident81.8Confident13 Ų1368.2 Ų68.26%0.05735%0.349CS..SBendtrans-90.9160.1-168.3-72.69.4000112.5N53 D258 E263 E269 F281 H295N53-F267 PolarHBondContact ND2-O 3.12Å; D258-F267 WeakPolarHBondContact O-CE2 3.46Å; E263-F267 HydrophobicContact CB-CB 4.49Å; E263-F267 HydrophobicContact CB-CD1 4.35Å; E263-F267 HydrophobicContact CB-CD2 3.61Å; E263-F267 HydrophobicContact CB-CE2 3.81Å; E263-F267 HydrophobicContact CB-CG 3.9Å; E263-F267 HydrophobicContact CB-CZ 4.27Å; E263-F267 HydrophobicContact CG-CD2 4.43Å; E263-F267 WeakPolarHBondContact O-CB 3.49Å; E263-F267 PolarHBondContact O-N 2.99Å; F267-E269 PolarHBondContact O-N 3.02Å; F267-F281 AromaticContact CE1-CE2 3.97Å; F267-F281 HydrophobicContact CE1-CE2 3.97Å; F267-F281 HydrophobicContact CE1-CZ 4.45Å; F267-H295 HydrophobicContact CD2-CB 3.97Å; F267-H295 HydrophobicContact CE2-CB 4.5Å
268F78Confident81.4Confident37 Ų3769.5 Ų69.516%0.16236%0.355CS..SBendtrans68.3-2.4179.7-45.5-73.7000117.2K9 F51 V52 H295K9-F268 WeakPolarHBondContact CE-O 3.16Å; K9-F268 PolarHBondContact NZ-O 3.14Å; F51-F268 HydrophobicContact CE1-CD1 4.18Å; F51-F268 AromaticContact CE1-CE1 3.68Å; F51-F268 HydrophobicContact CE1-CE1 3.68Å; F51-F268 HydrophobicContact CE1-CE2 4.12Å; F51-F268 AromaticContact CE1-CZ 3.61Å; F51-F268 HydrophobicContact CE1-CZ 3.61Å; F51-F268 HydrophobicContact CZ-CE1 4.37Å; F51-F268 HydrophobicContact CZ-CZ 4.31Å; V52-F268 HydrophobicContact CG2-CD2 4.34Å; V52-F268 HydrophobicContact CG2-CE2 3.54Å; V52-F268 HydrophobicContact CG2-CZ 4.05Å; F268-H295 HydrophobicContact CE1-CB 3.83Å; F268-H295 HydrophobicContact CE2-CB 4.31Å; F268-H295 HydrophobicContact CZ-CB 3.44Å; F268-H295 VanDerWaalsContact CZ-CB 3.44Å; F268-H295 AromaticContact CZ-CG 3.72Å; F268-H295 AromaticContact CZ-ND1 3.96Å
269E79.4Confident81Confident95 Ų9574.4 Ų74.444%0.44438%0.382SS..SBendtrans-119.8152.7176.1-63.8-56141.700111.5K9 F267 K271K9-E269 IonicContact NZ-OE1 3.24Å; K9-E269 PolarHBondContact NZ-OE1 3.2Å; K9-E269 IonicContact NZ-OE2 3.52Å; F267-E269 PolarHBondContact O-N 3.02Å; E269-K271 PolarHBondContact O-N 2.91Å
270D81.3Confident80.9Confident126 Ų12675.9 Ų75.967%0.67439%0.39SS*.  trans-80.3103.6171.5-176.3-1.4000110.1S272D270-S272 WeakPolarHBondContact OD1-CB 3.27Å; D270-S272 PolarHBondContact OD1-N 2.91Å; D270-S272 PolarHBondContact OD1-OG 3.38Å
271K80.7Confident81Confident74 Ų7477 Ų7732%0.32240%0.395SS..  trans-100.513.2178.1-63.5-66.2-174.6176.30113.3E269 N273 D274E269-K271 PolarHBondContact O-N 2.91Å; K271-N273 PolarHBondContact O-N 3.14Å; K271-N273 VanDerWaalsContact O-N 3.16Å; K271-D274 HydrophobicContact CB-CB 4.37Å; K271-D274 HydrophobicContact CD-CB 4.13Å; K271-D274 WeakPolarHBondContact CD-OD2 3.48Å; K271-D274 IonicContact NZ-OD2 2.72Å; K271-D274 PolarHBondContact NZ-OD2 2.94Å; K271-D274 PolarHBondContact O-N 3.32Å
272S77Confident81.3Confident87 Ų8778.6 Ų78.661%0.60840%0.399SS*.THydrogen-bonded Turntrans-62.3-24.6-173.159.20000114.6D270D270-S272 WeakPolarHBondContact OD1-CB 3.27Å; D270-S272 PolarHBondContact OD1-N 2.91Å; D270-S272 PolarHBondContact OD1-OG 3.38Å
273N77.9Confident81.7Confident152 Ų15280.4 Ų80.481%0.81340%0.399SS*.THydrogen-bonded Turntrans-101.61.1176.5-62.6-59.5000113.5K271K271-N273 PolarHBondContact O-N 3.14Å; K271-N273 VanDerWaalsContact O-N 3.16Å
274D79.7Confident82.1Confident87 Ų8778.9 Ų78.947%0.46539%0.392SS..SBendtrans-96.8148.3-178.4-74-6.5000111.4K271 I276K271-D274 HydrophobicContact CB-CB 4.37Å; K271-D274 HydrophobicContact CD-CB 4.13Å; K271-D274 WeakPolarHBondContact CD-OD2 3.48Å; K271-D274 IonicContact NZ-OD2 2.72Å; K271-D274 PolarHBondContact NZ-OD2 2.94Å; K271-D274 PolarHBondContact O-N 3.32Å; D274-I276 PolarHBondContact O-N 3.02Å; D274-I276 VanDerWaalsContact O-N 3.11Å
275V81.8Confident82.6Confident102 Ų10275.4 Ų75.462%0.61839%0.387SS*.  trans-81.591.4170.3-176.70000108.5Q277 R282V275-Q277 VanDerWaalsContact CG1-NE2 3.31Å; V275-Q277 PolarHBondContact O-N 3.2Å; V275-Q277 PolarHBondContact O-NE2 3.4Å; V275-R282 VanDerWaalsContact C-NH2 3.3Å
276I82.1Confident83Confident41 Ų4172.6 Ų72.621%0.2138%0.382CS..  trans-54.5102.9175.6-61173.4000112L266 D274 D278 F281 R282L266-I276 HydrophobicContact CD2-CG2 3.71Å; D274-I276 PolarHBondContact O-N 3.02Å; D274-I276 VanDerWaalsContact O-N 3.11Å; I276-D278 HydrophobicContact CG2-CB 4.27Å; I276-D278 PolarHBondContact O-N 3Å; I276-D278 VanDerWaalsContact O-N 3.15Å; I276-F281 HydrophobicContact CD1-CD1 4.4Å; I276-F281 HydrophobicContact CD1-CE1 4.23Å; I276-F281 HydrophobicContact CG2-CD1 4.14Å; I276-R282 HydrophobicContact CB-CG 4.38Å; I276-R282 HydrophobicContact CG2-CG 4.28Å; I276-R282 PolarHBondContact O-NE 2.94Å; I276-R282 PolarHBondContact O-NH1 2.85Å; I276-R282 PolarHBondContact O-NH2 2.7Å
277Q84.9Confident83.4Confident152 Ų15273.2 Ų73.271%0.7139%0.388SS*.  trans-70.7-11.3-175.2-60.4-62.3-49.300114.5V275 D279V275-Q277 VanDerWaalsContact CG1-NE2 3.31Å; V275-Q277 PolarHBondContact O-N 3.2Å; V275-Q277 PolarHBondContact O-NE2 3.4Å; Q277-D279 PolarHBondContact O-N 3.48Å
278D86.6Confident83.2Confident28 Ų2878.7 Ų78.715%0.1541%0.413CS..  trans-78.698.5177.4-168.4-40.9000111.1Y260 N262 L266 I276 V280 F281 R282Y260-D278 WeakPolarHBondContact CE1-OD2 3.26Å; Y260-D278 VanDerWaalsContact OH-CG 3.31Å; Y260-D278 PolarHBondContact OH-OD1 3.19Å; Y260-D278 PolarHBondContact OH-OD2 2.8Å; N262-D278 PolarHBondContact ND2-OD2 3.3Å; L266-D278 HydrophobicContact CD1-CB 4.36Å; I276-D278 HydrophobicContact CG2-CB 4.27Å; I276-D278 PolarHBondContact O-N 3Å; I276-D278 VanDerWaalsContact O-N 3.15Å; D278-V280 VanDerWaalsContact C-N 3.3Å; D278-V280 PolarHBondContact O-N 3.39Å; D278-V280 WeakPolarHBondContact OD1-CA 3.34Å; D278-V280 WeakPolarHBondContact OD1-CB 3.35Å; D278-V280 PolarHBondContact OD1-N 3.19Å; D278-F281 HydrophobicContact CB-CB 3.98Å; D278-F281 PolarHBondContact O-N 3.47Å; D278-F281 PolarHBondContact OD1-N 3.25Å; D278-R282 PolarHBondContact O-N 2.91Å; D278-R282 VanDerWaalsContact O-N 3.13Å
279D87.6Confident83.7Confident105 Ų10578.9 Ų78.956%0.56142%0.416SS*.Hα-helixtrans-66.1-29.7179.8-75.5-23.4000113.2Q277 R282 R283Q277-D279 PolarHBondContact O-N 3.48Å; D279-R282 IonicContact OD1-NH1 3.7Å; D279-R283 WeakPolarHBondContact O-CB 3.45Å; D279-R283 VanDerWaalsContact O-CG 3.28Å; D279-R283 WeakPolarHBondContact O-CG 3.48Å; D279-R283 PolarHBondContact O-N 3.12Å
280V87.7Confident84.4Confident30 Ų3074.9 Ų74.918%0.18240%0.398CS..Hα-helixtrans-67.9-48.8177.9171.60000109.1Q241 I244 Y260 D278 R282 R283 L284Q241-V280 HydrophobicContact CG-CG2 4.38Å; I244-V280 HydrophobicContact CD1-CB 4.2Å; I244-V280 HydrophobicContact CD1-CG1 3.67Å; I244-V280 HydrophobicContact CD1-CG2 4.4Å; Y260-V280 HydrophobicContact CE2-CG1 4.32Å; Y260-V280 WeakPolarHBondContact OH-CB 3.5Å; Y260-V280 VanDerWaalsContact OH-CG1 3.29Å; Y260-V280 WeakPolarHBondContact OH-CG1 3.41Å; D278-V280 VanDerWaalsContact C-N 3.3Å; D278-V280 PolarHBondContact O-N 3.39Å; D278-V280 WeakPolarHBondContact OD1-CA 3.34Å; D278-V280 WeakPolarHBondContact OD1-CB 3.35Å; D278-V280 PolarHBondContact OD1-N 3.19Å; V280-R282 VanDerWaalsContact C-N 3.34Å; V280-R282 PolarHBondContact O-N 2.9Å; V280-R283 PolarHBondContact O-N 2.9Å; V280-L284 HydrophobicContact CG1-CD1 4.11Å; V280-L284 WeakPolarHBondContact O-CG 3.38Å; V280-L284 PolarHBondContact O-N 3.2Å
281F86.6Confident85.1Confident26 Ų2670.4 Ų70.411%0.11437%0.374CS..Hα-helixtrans-58.7-44.4176.3-178.4-95.5000111.9Y260 L266 F267 I276 D278 L284 S285 F292Y260-F281 HydrophobicContact CD1-CD2 4.1Å; Y260-F281 HydrophobicContact CE1-CB 3.99Å; Y260-F281 HydrophobicContact CE1-CD2 4.22Å; Y260-F281 HydrophobicContact CG-CD2 4.32Å; Y260-F281 PolarHBondContact OH-N 3.09Å; L266-F281 HydrophobicContact CD1-CB 4.11Å; L266-F281 HydrophobicContact CD1-CD1 4.36Å; L266-F281 HydrophobicContact CD1-CD2 3.99Å; L266-F281 HydrophobicContact CD1-CG 3.87Å; F267-F281 AromaticContact CE1-CE2 3.97Å; F267-F281 HydrophobicContact CE1-CE2 3.97Å; F267-F281 HydrophobicContact CE1-CZ 4.45Å; I276-F281 HydrophobicContact CD1-CD1 4.4Å; I276-F281 HydrophobicContact CD1-CE1 4.23Å; I276-F281 HydrophobicContact CG2-CD1 4.14Å; D278-F281 HydrophobicContact CB-CB 3.98Å; D278-F281 PolarHBondContact O-N 3.47Å; D278-F281 PolarHBondContact OD1-N 3.25Å; F281-L284 PolarHBondContact O-N 3.41Å; F281-S285 WeakPolarHBondContact CE1-OG 3.39Å; F281-S285 WeakPolarHBondContact CZ-OG 3.49Å; F281-S285 VanDerWaalsContact O-CB 3.25Å; F281-S285 WeakPolarHBondContact O-CB 3.4Å; F281-S285 PolarHBondContact O-N 3.1Å; F281-S285 PolarHBondContact O-OG 2.83Å; F281-F292 HydrophobicContact CD2-CE1 4.41Å; F281-F292 HydrophobicContact CD2-CZ 4.47Å; F281-F292 AromaticContact CE2-CD1 4Å; F281-F292 HydrophobicContact CE2-CD1 4Å; F281-F292 HydrophobicContact CE2-CD2 4.34Å; F281-F292 HydrophobicContact CE2-CE1 4.18Å; F281-F292 HydrophobicContact CE2-CG 4.07Å; F281-F292 HydrophobicContact CE2-CZ 4.44Å
282R86.6Confident85.8Confident87 Ų8768.8 Ų68.833%0.32837%0.367SS..Hα-helixtrans-61.1-46.4176.2-78.3177.9165.5154.41112.5V275 I276 D278 D279 V280 S285 A286V275-R282 VanDerWaalsContact C-NH2 3.3Å; I276-R282 HydrophobicContact CB-CG 4.38Å; I276-R282 HydrophobicContact CG2-CG 4.28Å; I276-R282 PolarHBondContact O-NE 2.94Å; I276-R282 PolarHBondContact O-NH1 2.85Å; I276-R282 PolarHBondContact O-NH2 2.7Å; D278-R282 PolarHBondContact O-N 2.91Å; D278-R282 VanDerWaalsContact O-N 3.13Å; D279-R282 IonicContact OD1-NH1 3.7Å; V280-R282 VanDerWaalsContact C-N 3.34Å; V280-R282 PolarHBondContact O-N 2.9Å; R282-S285 PolarHBondContact O-N 3.11Å; R282-A286 WeakPolarHBondContact O-CB 3.38Å; R282-A286 PolarHBondContact O-N 3.27Å
283R88.7Confident86.6Confident131 Ų13165.6 Ų65.649%0.49434%0.344SS..Hα-helixtrans-61.1-46.5179.2-78.2177.168.9177.5-2.8110.8I244 E245 D279 V280 A286 C287I244-R283 HydrophobicContact CD1-CB 4.05Å; E245-R283 IonicContact OE1-NH2 2.82Å; E245-R283 PolarHBondContact OE1-NH2 2.79Å; D279-R283 WeakPolarHBondContact O-CB 3.45Å; D279-R283 VanDerWaalsContact O-CG 3.28Å; D279-R283 WeakPolarHBondContact O-CG 3.48Å; D279-R283 PolarHBondContact O-N 3.12Å; V280-R283 PolarHBondContact O-N 2.9Å; R283-A286 PolarHBondContact O-N 3.24Å; R283-C287 PolarHBondContact O-N 3.08Å; R283-C287 PolarHBondContact O-SG 3.22Å
284L87.8Confident87.3Confident0 Ų060 Ų600%032%0.323CS..Hα-helixtrans-62.4-45.1175.9-70.7170.9000111.6I244 L247 L255 Y260 V280 F281 A286 C287 V290 F292I244-L284 HydrophobicContact CD1-CD2 4.41Å; I244-L284 HydrophobicContact CD1-CG 4.08Å; I244-L284 HydrophobicContact CG1-CD1 4.42Å; I244-L284 HydrophobicContact CG1-CD2 3.46Å; I244-L284 VanDerWaalsContact CG1-CD2 3.46Å; I244-L284 HydrophobicContact CG1-CG 3.66Å; L247-L284 HydrophobicContact CD1-CD2 3.55Å; L255-L284 HydrophobicContact CD2-CD2 4.22Å; Y260-L284 HydrophobicContact CE2-CD1 4.37Å; V280-L284 HydrophobicContact CG1-CD1 4.11Å; V280-L284 WeakPolarHBondContact O-CG 3.38Å; V280-L284 PolarHBondContact O-N 3.2Å; F281-L284 PolarHBondContact O-N 3.41Å; L284-A286 VanDerWaalsContact C-N 3.27Å; L284-A286 PolarHBondContact O-N 3.48Å; L284-C287 VanDerWaalsContact O-CB 3.31Å; L284-C287 WeakPolarHBondContact O-CB 3.29Å; L284-C287 PolarHBondContact O-N 3.48Å; L284-V290 VanDerWaalsContact O-CB 3.31Å; L284-V290 WeakPolarHBondContact O-CB 3.47Å; L284-F292 HydrophobicContact CB-CE2 3.58Å; L284-F292 HydrophobicContact CB-CZ 3.53Å; L284-F292 HydrophobicContact CD1-CZ 3.96Å; L284-F292 HydrophobicContact CG-CZ 4.34Å
285S83Confident87.9Confident53 Ų5356.4 Ų56.437%0.37130%0.303SS..Hα-helixtrans-66.8-27.6-178.4-64.10000113.2F281 R282 C287 F292F281-S285 WeakPolarHBondContact CE1-OG 3.39Å; F281-S285 WeakPolarHBondContact CZ-OG 3.49Å; F281-S285 VanDerWaalsContact O-CB 3.25Å; F281-S285 WeakPolarHBondContact O-CB 3.4Å; F281-S285 PolarHBondContact O-N 3.1Å; F281-S285 PolarHBondContact O-OG 2.83Å; R282-S285 PolarHBondContact O-N 3.11Å; S285-C287 VanDerWaalsContact C-N 3.31Å; S285-F292 WeakPolarHBondContact OG-CD2 3.47Å
286A85.6Confident88.5Confident72 Ų7255.7 Ų55.760%0.59529%0.293SS*.Hα-helixtrans-73.7-23.9173.800000112.5R282 R283 L284 H288R282-A286 WeakPolarHBondContact O-CB 3.38Å; R282-A286 PolarHBondContact O-N 3.27Å; R283-A286 PolarHBondContact O-N 3.24Å; L284-A286 VanDerWaalsContact C-N 3.27Å; L284-A286 PolarHBondContact O-N 3.48Å; A286-H288 PolarHBondContact O-N 2.94Å
287C85.9Confident89.2Confident40 Ų4054 Ų5427%0.2729%0.285SS..  trans-68.1121.1179.5-69.70000111.1R283 L284 S285 N289 V290R283-C287 PolarHBondContact O-N 3.08Å; R283-C287 PolarHBondContact O-SG 3.22Å; L284-C287 VanDerWaalsContact O-CB 3.31Å; L284-C287 WeakPolarHBondContact O-CB 3.29Å; L284-C287 PolarHBondContact O-N 3.48Å; S285-C287 VanDerWaalsContact C-N 3.31Å; C287-N289 PolarHBondContact O-N 2.73Å; C287-N289 VanDerWaalsContact O-N 3.09Å; C287-V290 HydrophobicContact CB-CB 4.14Å; C287-V290 HydrophobicContact CB-CG2 3.41Å; C287-V290 VanDerWaalsContact CB-CG2 3.41Å; C287-V290 WeakPolarHBondContact O-CB 3.25Å; C287-V290 PolarHBondContact O-N 2.97Å
288H77.9Confident89.7Confident127 Ų12747 Ų4759%0.58825%0.252SS*.THydrogen-bonded Turntrans-60.7-19.4-175.5-79.6-12.2000116.7R122 A286R122-H288 PolarHBondContact NE-O 3.46Å; R122-H288 PolarHBondContact NH2-CD2 2.93Å; R122-H288 VanDerWaalsContact NH2-CD2 3.27Å; R122-H288 PolarHBondContact NH2-CE1 3.13Å; R122-H288 PolarHBondContact NH2-ND1 2.88Å; A286-H288 PolarHBondContact O-N 2.94Å
289N88.3Confident90.2Very high41 Ų4148.4 Ų48.422%0.21926%0.26CS..THydrogen-bonded Turntrans-10919.1178.961.9-32.3000112L247 I252 G253 S254 L255 C287L247-N289 WeakPolarHBondContact CD2-ND2 3.43Å; I252-N289 PolarHBondContact O-ND2 2.89Å; G253-N289 WeakPolarHBondContact O-CB 3.24Å; G253-N289 PolarHBondContact O-ND2 3.43Å; S254-N289 VanDerWaalsContact CA-O 3.29Å; S254-N289 WeakPolarHBondContact CA-O 3.32Å; L255-N289 PolarHBondContact N-O 3.33Å; C287-N289 PolarHBondContact O-N 2.73Å; C287-N289 VanDerWaalsContact O-N 3.09Å
290V95Very high90.8Very high12 Ų1245.5 Ų45.57%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-114.8139174.8-175.50000109L247 L255 L284 C287 F292L247-V290 HydrophobicContact CD1-CG2 3.61Å; L247-V290 HydrophobicContact CD2-CG2 3.99Å; L247-V290 HydrophobicContact CG-CG2 4.49Å; L255-V290 HydrophobicContact CB-CG1 4.4Å; L255-V290 HydrophobicContact CB-CG2 4.19Å; L255-V290 HydrophobicContact CD2-CG1 4.44Å; L255-V290 HydrophobicContact CG-CG1 4.49Å; L255-V290 CarbonylContact O-C 3.57Å; L255-V290 VanDerWaalsContact O-CA 3.25Å; L255-V290 WeakPolarHBondContact O-CA 3.24Å; L284-V290 VanDerWaalsContact O-CB 3.31Å; L284-V290 WeakPolarHBondContact O-CB 3.47Å; C287-V290 HydrophobicContact CB-CB 4.14Å; C287-V290 HydrophobicContact CB-CG2 3.41Å; C287-V290 VanDerWaalsContact CB-CG2 3.41Å; C287-V290 WeakPolarHBondContact O-CB 3.25Å; C287-V290 PolarHBondContact O-N 2.97Å; V290-F292 HydrophobicContact CG1-CD2 3.9Å; V290-F292 HydrophobicContact CG1-CE2 3.39Å; V290-F292 HydrophobicContact CG1-CZ 3.93Å
291L95.8Very high91.3Very high32 Ų3245.8 Ų45.817%0.16825%0.251CS..EExtended strand (participates in β ladder)trans-128.1121.6173.917666.6000108.9M112 T115 L116 L255 G256 M257M112-L291 HydrophobicContact CB-CD2 4.29Å; M112-L291 HydrophobicContact CE-CB 4.41Å; M112-L291 HydrophobicContact CE-CD2 4.1Å; M112-L291 HydrophobicContact CE-CG 4Å; M112-L291 VanDerWaalsContact CE-O 3.28Å; M112-L291 WeakPolarHBondContact CE-O 3.46Å; M112-L291 HydrophobicContact CG-CD2 4.3Å; T115-L291 HydrophobicContact CG2-CD2 3.8Å; L116-L291 HydrophobicContact CD1-CB 4.23Å; L116-L291 HydrophobicContact CD2-CB 3.68Å; L116-L291 HydrophobicContact CG-CB 3.94Å; L116-L291 HydrophobicContact CG-CD2 4.43Å; L255-L291 PolarHBondContact O-N 2.89Å; G256-L291 WeakPolarHBondContact CA-O 3.29Å; M257-L291 PolarHBondContact N-O 3.48Å
292F94.7Very high91.8Very high39 Ų3950.9 Ų50.917%0.17128%0.275CS..EExtended strand (participates in β ladder)trans-101.9139.2168.6-71-80.6000110.9M257 F281 L284 S285 V290M257-F292 HydrophobicContact CB-CD1 3.64Å; M257-F292 HydrophobicContact CB-CE1 3.54Å; M257-F292 HydrophobicContact CB-CZ 4.5Å; M257-F292 HydrophobicContact CE-CE1 4.22Å; M257-F292 HydrophobicContact CG-CE1 4.14Å; M257-F292 VanDerWaalsContact O-CA 3.28Å; M257-F292 WeakPolarHBondContact O-CA 3.25Å; M257-F292 HydrophobicContact SD-CE1 3.7Å; M257-F292 HydrophobicContact SD-CZ 4.02Å; F281-F292 HydrophobicContact CD2-CE1 4.41Å; F281-F292 HydrophobicContact CD2-CZ 4.47Å; F281-F292 AromaticContact CE2-CD1 4Å; F281-F292 HydrophobicContact CE2-CD1 4Å; F281-F292 HydrophobicContact CE2-CD2 4.34Å; F281-F292 HydrophobicContact CE2-CE1 4.18Å; F281-F292 HydrophobicContact CE2-CG 4.07Å; F281-F292 HydrophobicContact CE2-CZ 4.44Å; L284-F292 HydrophobicContact CB-CE2 3.58Å; L284-F292 HydrophobicContact CB-CZ 3.53Å; L284-F292 HydrophobicContact CD1-CZ 3.96Å; L284-F292 HydrophobicContact CG-CZ 4.34Å; S285-F292 WeakPolarHBondContact OG-CD2 3.47Å; V290-F292 HydrophobicContact CG1-CD2 3.9Å; V290-F292 HydrophobicContact CG1-CE2 3.39Å; V290-F292 HydrophobicContact CG1-CZ 3.93Å
293T95.1Very high92.3Very high20 Ų2046.8 Ų46.812%0.12326%0.26CS..  trans-124144.2162.248.20000108H108 M112 M257 D258 H295H108-T293 PolarHBondContact NE2-OG1 3.49Å; M112-T293 HydrophobicContact CE-CG2 4.23Å; M257-T293 PolarHBondContact O-N 2.68Å; D258-T293 CarbonylContact C-O 3.47Å; D258-T293 WeakPolarHBondContact CA-O 3.13Å; D258-T293 WeakPolarHBondContact CA-OG1 3.28Å; D258-T293 VanDerWaalsContact O-O 3.11Å; D258-T293 VanDerWaalsContact OD1-CB 3.23Å; D258-T293 WeakPolarHBondContact OD1-CB 3.45Å; D258-T293 PolarHBondContact OD1-OG1 3.48Å; T293-H295 VanDerWaalsContact C-N 3.34Å; T293-H295 PolarHBondContact O-N 2.99Å
294G91.5Very high92.8Very high36 Ų3640.9 Ų40.937%0.37124%0.239SC..SBendtrans-84.971.8-172.300000112.2Q296G294-Q296 VanDerWaalsContact C-N 3.29Å; G294-Q296 PolarHBondContact O-N 3.44Å
295H92.4Very high93.3Very high10 Ų1042.2 Ų42.25%0.04625%0.246CC..SBendtrans49.651.4-178.4-159.4145.2000111.6D258 E263 F267 F268 T293 F298D258-H295 WeakPolarHBondContact O-CA 3.4Å; D258-H295 PolarHBondContact O-N 3.25Å; D258-H295 PolarHBondContact OD1-N 3.29Å; D258-H295 WeakPolarHBondContact OD2-CA 3.23Å; E263-H295 IonicContact OE1-CE1 3.42Å; E263-H295 IonicContact OE1-ND1 3.92Å; E263-H295 PolarHBondContact OE1-ND1 3.03Å; E263-H295 VanDerWaalsContact OE1-ND1 3.11Å; F267-H295 HydrophobicContact CD2-CB 3.97Å; F267-H295 HydrophobicContact CE2-CB 4.5Å; F268-H295 HydrophobicContact CE1-CB 3.83Å; F268-H295 HydrophobicContact CE2-CB 4.31Å; F268-H295 HydrophobicContact CZ-CB 3.44Å; F268-H295 VanDerWaalsContact CZ-CB 3.44Å; F268-H295 AromaticContact CZ-CG 3.72Å; F268-H295 AromaticContact CZ-ND1 3.96Å; T293-H295 VanDerWaalsContact C-N 3.34Å; T293-H295 PolarHBondContact O-N 2.99Å; H295-F298 AromaticContact CD2-CD1 3.92Å; H295-F298 AromaticContact CD2-CE1 3.74Å; H295-F298 WeakPolarHBondContact O-CE1 3.29Å
296Q95.7Very high94Very high87 Ų8741.7 Ų41.741%0.40724%0.243SC..  trans-96.4-5.5-171.7-166.4175.81.400112.8D258 G294 F298 L299D258-Q296 VanDerWaalsContact CG-N 3.26Å; D258-Q296 PolarHBondContact OD1-N 3.37Å; D258-Q296 PolarHBondContact OD2-N 2.75Å; G294-Q296 VanDerWaalsContact C-N 3.29Å; G294-Q296 PolarHBondContact O-N 3.44Å; Q296-F298 PolarHBondContact O-N 2.71Å; Q296-L299 HydrophobicContact CG-CB 3.74Å; Q296-L299 HydrophobicContact CG-CD2 3.78Å; Q296-L299 HydrophobicContact CG-CG 4.41Å; Q296-L299 WeakPolarHBondContact O-CB 3.35Å; Q296-L299 PolarHBondContact O-N 3.47Å
297A96.8Very high94.6Very high6 Ų638.8 Ų38.85%0.0522%0.217CC..THydrogen-bonded Turntrans-60.9-23.2-171.200000115.1A104 V105 H108 D258A104-A297 CarbonylContact C-O 3.6Å; A104-A297 VanDerWaalsContact C-O 3.26Å; V105-A297 WeakPolarHBondContact CA-O 3.44Å; V105-A297 HydrophobicContact CB-CB 4.27Å; V105-A297 HydrophobicContact CG1-CB 3.92Å; V105-A297 HydrophobicContact CG2-CB 4.16Å; V105-A297 PolarHBondContact N-O 3.04Å; H108-A297 HydrophobicContact CB-CB 3.94Å; D258-A297 WeakPolarHBondContact OD2-CB 3.46Å; D258-A297 PolarHBondContact OD2-N 3.49Å
298F95.5Very high95.2Very high5 Ų537.1 Ų37.12%0.02221%0.206CC..THydrogen-bonded Turntrans-93.2-0.2175.170.5-92.1000113.5F51 Y100 H295 Q296 T300 A303 L304 I307F51-F298 HydrophobicContact CE1-CZ 4.42Å; F51-F298 HydrophobicContact CE2-CZ 4.33Å; F51-F298 HydrophobicContact CZ-CE1 4Å; F51-F298 HydrophobicContact CZ-CE2 4.45Å; F51-F298 AromaticContact CZ-CZ 3.58Å; F51-F298 HydrophobicContact CZ-CZ 3.58Å; Y100-F298 HydrophobicContact CD1-CB 3.81Å; Y100-F298 HydrophobicContact CD1-CG 4.11Å; Y100-F298 HydrophobicContact CE1-CB 4.36Å; Y100-F298 HydrophobicContact CE1-CD1 4.28Å; Y100-F298 HydrophobicContact CE1-CG 4.17Å; Y100-F298 HydrophobicContact CG-CB 3.89Å; H295-F298 AromaticContact CD2-CD1 3.92Å; H295-F298 AromaticContact CD2-CE1 3.74Å; H295-F298 WeakPolarHBondContact O-CE1 3.29Å; Q296-F298 PolarHBondContact O-N 2.71Å; F298-T300 PolarHBondContact O-N 3.03Å; F298-A303 WeakPolarHBondContact O-CB 3.33Å; F298-L304 HydrophobicContact CD2-CD2 4.15Å; F298-L304 HydrophobicContact CE2-CD2 3.92Å; F298-I307 HydrophobicContact CD2-CD1 3.62Å; F298-I307 HydrophobicContact CE2-CD1 4.24Å; F298-I307 HydrophobicContact CG-CD1 4.33Å
299L97.3Very high96.1Very high58 Ų5835.9 Ų35.930%0.30420%0.201SC..  trans-84.855.6-164.9-158.476.5000113Y11 Q296 L304Y11-L299 HydrophobicContact CD1-CD1 4.23Å; Y11-L299 HydrophobicContact CD2-CD1 3.95Å; Y11-L299 HydrophobicContact CE1-CD1 4.16Å; Y11-L299 HydrophobicContact CE2-CD1 3.92Å; Y11-L299 HydrophobicContact CG-CD1 4.13Å; Q296-L299 HydrophobicContact CG-CB 3.74Å; Q296-L299 HydrophobicContact CG-CD2 3.78Å; Q296-L299 HydrophobicContact CG-CG 4.41Å; Q296-L299 WeakPolarHBondContact O-CB 3.35Å; Q296-L299 PolarHBondContact O-N 3.47Å; L299-L304 HydrophobicContact CD1-CD1 3.95Å; L299-L304 HydrophobicContact CD1-CD2 4.2Å; L299-L304 HydrophobicContact CD1-CG 4.47Å; L299-L304 HydrophobicContact CG-CD1 4.42Å
300T98.3Very high96.6Very high43 Ų4335.6 Ų35.626%0.26420%0.2SC..SBendtrans-110.4161.1170.3690000110.6A104 F298 E302 A303 L304A104-T300 HydrophobicContact CB-CG2 3.97Å; F298-T300 PolarHBondContact O-N 3.03Å; T300-E302 VanDerWaalsContact C-N 3.3Å; T300-E302 PolarHBondContact O-N 3.46Å; T300-A303 PolarHBondContact O-N 3.35Å; T300-A303 WeakPolarHBondContact OG1-CB 3.1Å; T300-A303 PolarHBondContact OG1-N 2.89Å; T300-L304 VanDerWaalsContact O-CB 3.32Å; T300-L304 WeakPolarHBondContact O-CB 3.04Å; T300-L304 WeakPolarHBondContact O-CD1 3.41Å; T300-L304 VanDerWaalsContact O-CG 3.24Å; T300-L304 WeakPolarHBondContact O-CG 3.48Å; T300-L304 PolarHBondContact O-N 3.04Å
301A98.3Very high96.8Very high36 Ų3635 Ų3530%0.29820%0.197SC..Hα-helixtrans-62.1-41.6-179.100000111.6Y15 T305Y15-A301 HydrophobicContact CE1-CB 3.89Å; Y15-A301 WeakPolarHBondContact OH-CA 3.46Å; Y15-A301 VanDerWaalsContact OH-CB 3.23Å; Y15-A301 WeakPolarHBondContact OH-CB 3.31Å; A301-T305 VanDerWaalsContact O-CB 3.28Å; A301-T305 WeakPolarHBondContact O-CB 3.49Å; A301-T305 PolarHBondContact O-N 2.83Å; A301-T305 PolarHBondContact O-OG1 3.27Å
302E98.2Very high96.9Very high133 Ų13333.5 Ų33.562%0.62119%0.189SC*.Hα-helixtrans-66-47.9-179.9-64.273.1-163.200110.8T300 T305 S306T300-E302 VanDerWaalsContact C-N 3.3Å; T300-E302 PolarHBondContact O-N 3.46Å; E302-T305 WeakPolarHBondContact O-CB 2.93Å; E302-T305 PolarHBondContact O-N 3.05Å; E302-S306 WeakPolarHBondContact O-CB 3.35Å; E302-S306 PolarHBondContact O-N 3.14Å
303A97.6Very high97.1Very high1 Ų135.6 Ų35.61%0.00820%0.199CC..Hα-helixtrans-66.2-42.5179.200000112D101 A104 F298 T300 T305 S306 I307D101-A303 HydrophobicContact CB-CB 3.8Å; A104-A303 HydrophobicContact CB-CB 3.98Å; F298-A303 WeakPolarHBondContact O-CB 3.33Å; T300-A303 PolarHBondContact O-N 3.35Å; T300-A303 WeakPolarHBondContact OG1-CB 3.1Å; T300-A303 PolarHBondContact OG1-N 2.89Å; A303-T305 VanDerWaalsContact C-N 3.32Å; A303-T305 PolarHBondContact O-N 3.05Å; A303-S306 PolarHBondContact O-N 3.08Å; A303-I307 WeakPolarHBondContact O-CB 3.3Å; A303-I307 VanDerWaalsContact O-CG1 3.26Å; A303-I307 WeakPolarHBondContact O-CG1 3.41Å; A303-I307 PolarHBondContact O-N 2.78Å
304L98.1Very high97.3Very high8 Ų834.8 Ų34.84%0.04219%0.194CC..Hα-helixtrans-65-35.5175.1-71.4168.4000112.5Y11 Y15 F298 L299 T300 I307 S308Y11-L304 HydrophobicContact CD2-CD1 4.28Å; Y11-L304 HydrophobicContact CD2-CD2 4.05Å; Y11-L304 HydrophobicContact CG-CD1 4.46Å; Y15-L304 HydrophobicContact CD1-CB 4.41Å; Y15-L304 HydrophobicContact CD2-CB 3.46Å; Y15-L304 VanDerWaalsContact CD2-CB 3.46Å; Y15-L304 HydrophobicContact CD2-CD1 3.56Å; Y15-L304 HydrophobicContact CD2-CG 4.11Å; Y15-L304 HydrophobicContact CE2-CB 3.92Å; Y15-L304 HydrophobicContact CE2-CD1 3.38Å; Y15-L304 HydrophobicContact CE2-CG 4.3Å; Y15-L304 HydrophobicContact CG-CB 3.77Å; F298-L304 HydrophobicContact CD2-CD2 4.15Å; F298-L304 HydrophobicContact CE2-CD2 3.92Å; L299-L304 HydrophobicContact CD1-CD1 3.95Å; L299-L304 HydrophobicContact CD1-CD2 4.2Å; L299-L304 HydrophobicContact CD1-CG 4.47Å; L299-L304 HydrophobicContact CG-CD1 4.42Å; T300-L304 VanDerWaalsContact O-CB 3.32Å; T300-L304 WeakPolarHBondContact O-CB 3.04Å; T300-L304 WeakPolarHBondContact O-CD1 3.41Å; T300-L304 VanDerWaalsContact O-CG 3.24Å; T300-L304 WeakPolarHBondContact O-CG 3.48Å; T300-L304 PolarHBondContact O-N 3.04Å; L304-I307 HydrophobicContact CD2-CD1 4.48Å; L304-S308 WeakPolarHBondContact O-CB 3.34Å; L304-S308 PolarHBondContact O-N 2.86Å; L304-S308 PolarHBondContact O-OG 3.15Å
305T98.1Very high97.6Very high27 Ų2733.1 Ų33.117%0.16618%0.177CC..Hα-helixtrans-65.1-45.5172.9-60.40000110.6Y15 V19 A301 E302 A303 S308 Q309Y15-T305 WeakPolarHBondContact CD1-OG1 3.38Å; V19-T305 HydrophobicContact CG2-CG2 3.87Å; A301-T305 VanDerWaalsContact O-CB 3.28Å; A301-T305 WeakPolarHBondContact O-CB 3.49Å; A301-T305 PolarHBondContact O-N 2.83Å; A301-T305 PolarHBondContact O-OG1 3.27Å; E302-T305 WeakPolarHBondContact O-CB 2.93Å; E302-T305 PolarHBondContact O-N 3.05Å; A303-T305 VanDerWaalsContact C-N 3.32Å; A303-T305 PolarHBondContact O-N 3.05Å; T305-S308 PolarHBondContact O-N 3.38Å; T305-Q309 HydrophobicContact CG2-CG 4.43Å; T305-Q309 WeakPolarHBondContact O-CB 3.29Å; T305-Q309 WeakPolarHBondContact O-CG 3.17Å; T305-Q309 PolarHBondContact O-N 2.89Å
306S97.6Very high97.8Very high43 Ų4333 Ų3330%0.30118%0.177SC..Hα-helixtrans-62.7-42.7177.2-179.50000112.8E302 A303 S308 Q309 T310E302-S306 WeakPolarHBondContact O-CB 3.35Å; E302-S306 PolarHBondContact O-N 3.14Å; A303-S306 PolarHBondContact O-N 3.08Å; S306-S308 VanDerWaalsContact C-N 3.34Å; S306-S308 PolarHBondContact O-N 3.18Å; S306-Q309 PolarHBondContact O-N 3.39Å; S306-T310 WeakPolarHBondContact O-CB 3.35Å; S306-T310 PolarHBondContact O-N 2.8Å; S306-T310 PolarHBondContact O-OG1 3.32Å
307I98.2Very high97.9Very high10 Ų1029.8 Ų29.85%0.05116%0.163CC..Hα-helixtrans-57.7-48.3172.3-72.9163.7000110R75 V97 Y100 F298 A303 L304 T310 T311R75-I307 HydrophobicContact CB-CG2 3.95Å; R75-I307 WeakPolarHBondContact O-CG2 3.4Å; V97-I307 HydrophobicContact CG1-CG1 4.29Å; V97-I307 HydrophobicContact CG2-CG2 4.16Å; Y100-I307 HydrophobicContact CD1-CD1 3.92Å; Y100-I307 HydrophobicContact CD1-CG1 4.34Å; Y100-I307 HydrophobicContact CE1-CD1 4.13Å; F298-I307 HydrophobicContact CD2-CD1 3.62Å; F298-I307 HydrophobicContact CE2-CD1 4.24Å; F298-I307 HydrophobicContact CG-CD1 4.33Å; A303-I307 WeakPolarHBondContact O-CB 3.3Å; A303-I307 VanDerWaalsContact O-CG1 3.26Å; A303-I307 WeakPolarHBondContact O-CG1 3.41Å; A303-I307 PolarHBondContact O-N 2.78Å; L304-I307 HydrophobicContact CD2-CD1 4.48Å; I307-T310 PolarHBondContact O-N 3.42Å; I307-T311 VanDerWaalsContact O-CB 3.29Å; I307-T311 WeakPolarHBondContact O-CB 3.26Å; I307-T311 PolarHBondContact O-N 2.91Å; I307-T311 PolarHBondContact O-OG1 3.45Å
308S98.5Very high98Very high5 Ų529.8 Ų29.84%0.03516%0.162CC..Hα-helixtrans-63.9-46.1-179.6-60.70000111.4L304 T305 S306 T310 T311 L312L304-S308 WeakPolarHBondContact O-CB 3.34Å; L304-S308 PolarHBondContact O-N 2.86Å; L304-S308 PolarHBondContact O-OG 3.15Å; T305-S308 PolarHBondContact O-N 3.38Å; S306-S308 VanDerWaalsContact C-N 3.34Å; S306-S308 PolarHBondContact O-N 3.18Å; S308-T310 PolarHBondContact O-N 3.32Å; S308-T311 PolarHBondContact O-N 3.45Å; S308-L312 WeakPolarHBondContact O-CG 3.16Å; S308-L312 PolarHBondContact O-N 3.45Å
309Q98.2Very high98Very high102 Ų10233.3 Ų33.348%0.47718%0.179SC..Hα-helixtrans-57.7-49.8176.1-76.1173.6-7.500111.7V19 T305 S306 T311 L312 Q313V19-Q309 HydrophobicContact CB-CG 4.47Å; V19-Q309 HydrophobicContact CG1-CB 4.25Å; V19-Q309 HydrophobicContact CG1-CG 3.56Å; V19-Q309 HydrophobicContact CG2-CG 3.97Å; T305-Q309 HydrophobicContact CG2-CG 4.43Å; T305-Q309 WeakPolarHBondContact O-CB 3.29Å; T305-Q309 WeakPolarHBondContact O-CG 3.17Å; T305-Q309 PolarHBondContact O-N 2.89Å; S306-Q309 PolarHBondContact O-N 3.39Å; Q309-T311 PolarHBondContact O-N 2.99Å; Q309-L312 PolarHBondContact O-N 3.17Å; Q309-Q313 WeakPolarHBondContact O-CB 3.32Å; Q309-Q313 PolarHBondContact O-N 3.49Å
310T98.3Very high97.9Very high35 Ų3536.7 Ų36.722%0.21519%0.191CC..Hα-helixtrans-62.8-44.1179.2-59.20000111.2V97 S306 I307 S308 Q313 N314V97-T310 HydrophobicContact CB-CG2 4.43Å; V97-T310 HydrophobicContact CG1-CG2 4.35Å; V97-T310 HydrophobicContact CG2-CG2 4.06Å; S306-T310 WeakPolarHBondContact O-CB 3.35Å; S306-T310 PolarHBondContact O-N 2.8Å; S306-T310 PolarHBondContact O-OG1 3.32Å; I307-T310 PolarHBondContact O-N 3.42Å; S308-T310 PolarHBondContact O-N 3.32Å; T310-Q313 PolarHBondContact O-N 3.48Å; T310-N314 WeakPolarHBondContact O-CB 3.5Å; T310-N314 PolarHBondContact O-N 2.85Å; T310-N314 PolarHBondContact O-ND2 3.3Å; T310-N314 PolarHBondContact O-OD1 3.17Å
311T98.6Very high97.7Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-60.9-49.8179.9-59.10000111.4A73 V97 I307 S308 Q309 N314 L315A73-T311 HydrophobicContact CB-CG2 3.98Å; V97-T311 WeakPolarHBondContact CG2-OG1 3.38Å; I307-T311 VanDerWaalsContact O-CB 3.29Å; I307-T311 WeakPolarHBondContact O-CB 3.26Å; I307-T311 PolarHBondContact O-N 2.91Å; I307-T311 PolarHBondContact O-OG1 3.45Å; S308-T311 PolarHBondContact O-N 3.45Å; Q309-T311 PolarHBondContact O-N 2.99Å; T311-N314 PolarHBondContact O-N 3.18Å; T311-L315 WeakPolarHBondContact O-CG 3.48Å; T311-L315 PolarHBondContact O-N 3.15Å
312L98.5Very high97.5Very high0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-71.3-35.7-179.2-61.2-168.9000112.2L3 L16 V19 N20 F23 F25 S308 Q309 L315 S316L3-L312 HydrophobicContact CD2-CD2 4.04Å; L16-L312 HydrophobicContact CD2-CD2 4.01Å; L16-L312 HydrophobicContact CD2-CG 4.24Å; V19-L312 HydrophobicContact CB-CD1 4.38Å; V19-L312 HydrophobicContact CG1-CD1 4.06Å; N20-L312 HydrophobicContact CB-CD1 3.67Å; F23-L312 HydrophobicContact CD1-CB 4.08Å; F23-L312 HydrophobicContact CD2-CB 3.75Å; F23-L312 HydrophobicContact CD2-CD1 3.82Å; F23-L312 HydrophobicContact CD2-CG 4.46Å; F23-L312 HydrophobicContact CE1-CB 4.13Å; F23-L312 HydrophobicContact CE2-CB 3.8Å; F23-L312 HydrophobicContact CE2-CD1 4.38Å; F23-L312 HydrophobicContact CG-CB 3.9Å; F23-L312 HydrophobicContact CG-CD1 4.29Å; F23-L312 HydrophobicContact CZ-CB 3.99Å; F25-L312 HydrophobicContact CD2-CD2 3.99Å; F25-L312 HydrophobicContact CE2-CB 4.12Å; F25-L312 HydrophobicContact CE2-CD2 4.26Å; S308-L312 WeakPolarHBondContact O-CG 3.16Å; S308-L312 PolarHBondContact O-N 3.45Å; Q309-L312 PolarHBondContact O-N 3.17Å; L312-L315 HydrophobicContact CD2-CD1 4.49Å; L312-L315 PolarHBondContact O-N 2.79Å; L312-S316 WeakPolarHBondContact O-CB 3.43Å; L312-S316 PolarHBondContact O-N 2.88Å
313Q98.4Very high97.3Very high82 Ų8240.5 Ų40.538%0.38323%0.226SC..Hα-helixtrans-63.8-43.7173.9-172.763.158.700111.8F23 Q309 T310 L315 S316 N317F23-Q313 HydrophobicContact CE1-CB 4.27Å; F23-Q313 HydrophobicContact CZ-CB 4.16Å; Q309-Q313 WeakPolarHBondContact O-CB 3.32Å; Q309-Q313 PolarHBondContact O-N 3.49Å; T310-Q313 PolarHBondContact O-N 3.48Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 2.86Å; Q313-S316 PolarHBondContact O-N 2.88Å; Q313-N317 PolarHBondContact NE2-OD1 2.91Å; Q313-N317 PolarHBondContact O-N 2.74Å; Q313-N317 PolarHBondContact O-OD1 2.76Å; Q313-N317 VanDerWaalsContact O-OD1 3.11Å
314N98.4Very high97.2Very high4 Ų440.7 Ų40.72%0.02123%0.228CC..Hα-helixtrans-56.8-48.5175.5-71-17.9000110.9V95 R96 T310 T311 S316 N317 L318 C324 N326V95-N314 HydrophobicContact CB-CB 3.92Å; V95-N314 HydrophobicContact CG1-CB 4.32Å; V95-N314 HydrophobicContact CG2-CB 3.73Å; R96-N314 PolarHBondContact O-ND2 3.43Å; T310-N314 WeakPolarHBondContact O-CB 3.5Å; T310-N314 PolarHBondContact O-N 2.85Å; T310-N314 PolarHBondContact O-ND2 3.3Å; T310-N314 PolarHBondContact O-OD1 3.17Å; T311-N314 PolarHBondContact O-N 3.18Å; N314-S316 PolarHBondContact O-N 3.02Å; N314-N317 PolarHBondContact O-N 3.36Å; N314-L318 WeakPolarHBondContact O-CG 3.41Å; N314-L318 PolarHBondContact O-N 3.43Å; N314-C324 PolarHBondContact OD1-SG 3.12Å; N314-C324 VanDerWaalsContact OD1-SG 3.36Å; N314-N326 PolarHBondContact OD1-ND2 3.36Å
315L98.4Very high97.1Very high0 Ų045.6 Ų45.60%026%0.26CS..Hα-helixtrans-61.7-41.1177.2-74.4173.3000112.2M1 L3 F25 A47 A73 T311 L312 Q313 N317 L318 E319M1-L315 HydrophobicContact CE-CB 3.77Å; L3-L315 HydrophobicContact CD1-CD1 3.7Å; L3-L315 HydrophobicContact CD2-CD1 3.6Å; L3-L315 HydrophobicContact CG-CD1 4.27Å; F25-L315 HydrophobicContact CE2-CB 4.19Å; F25-L315 HydrophobicContact CZ-CB 4.36Å; A47-L315 HydrophobicContact CB-CD2 3.7Å; A73-L315 HydrophobicContact CB-CD1 4.01Å; A73-L315 HydrophobicContact CB-CD2 3.9Å; A73-L315 HydrophobicContact CB-CG 3.88Å; T311-L315 WeakPolarHBondContact O-CG 3.48Å; T311-L315 PolarHBondContact O-N 3.15Å; L312-L315 HydrophobicContact CD2-CD1 4.49Å; L312-L315 PolarHBondContact O-N 2.79Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 2.86Å; L315-N317 PolarHBondContact O-N 3.29Å; L315-L318 PolarHBondContact O-N 3.04Å; L315-E319 PolarHBondContact O-N 3.27Å
316S98Very high97Very high9 Ų945.9 Ų45.96%0.06326%0.261CS..Hα-helixtrans-62.2-42.4175.9-169.80000112.3L312 Q313 N314 L318 E319 K320L312-S316 WeakPolarHBondContact O-CB 3.43Å; L312-S316 PolarHBondContact O-N 2.88Å; Q313-S316 PolarHBondContact O-N 2.88Å; N314-S316 PolarHBondContact O-N 3.02Å; S316-L318 VanDerWaalsContact C-N 3.33Å; S316-L318 PolarHBondContact O-N 3.49Å; S316-E319 PolarHBondContact O-N 3.11Å; S316-K320 WeakPolarHBondContact O-CG 3.16Å; S316-K320 PolarHBondContact O-N 3.29Å; S316-K320 VanDerWaalsContact O-N 3.12Å; S316-K320 WeakPolarHBondContact OG-CE 3.38Å; S316-K320 PolarHBondContact OG-NZ 3.09Å
317N97.7Very high97Very high19 Ų1946.6 Ų46.610%0.10226%0.259CS..Hα-helixtrans-61.3-44.8175.7-67.410.4000110.5Q313 N314 L315 K320 G321 E322 C324Q313-N317 PolarHBondContact NE2-OD1 2.91Å; Q313-N317 PolarHBondContact O-N 2.74Å; Q313-N317 PolarHBondContact O-OD1 2.76Å; Q313-N317 VanDerWaalsContact O-OD1 3.11Å; N314-N317 PolarHBondContact O-N 3.36Å; L315-N317 PolarHBondContact O-N 3.29Å; N317-K320 PolarHBondContact O-N 2.92Å; N317-G321 PolarHBondContact O-N 3.47Å; N317-G321 VanDerWaalsContact O-N 3.13Å; N317-E322 HydrophobicContact CB-CB 4.2Å; N317-E322 PolarHBondContact O-N 2.82Å; N317-C324 HydrophobicContact CB-CB 4.26Å
318L97.1Very high96.8Very high6 Ų648.5 Ų48.53%0.03127%0.269CS..Hα-helixtrans-62.6-44.9178-67.9-171.3000112.8Y71 K93 V95 N314 L315 S316 K320 G321 C324Y71-L318 HydrophobicContact CD1-CB 4.14Å; Y71-L318 HydrophobicContact CD1-CD1 3.88Å; Y71-L318 HydrophobicContact CD2-CB 4.43Å; Y71-L318 HydrophobicContact CE1-CB 4.19Å; Y71-L318 HydrophobicContact CE2-CB 4.46Å; Y71-L318 HydrophobicContact CG-CB 4.28Å; Y71-L318 HydrophobicContact CG-CD1 3.97Å; K93-L318 HydrophobicContact CB-CD1 4.03Å; K93-L318 HydrophobicContact CB-CD2 4.49Å; K93-L318 HydrophobicContact CD-CD1 4.5Å; K93-L318 HydrophobicContact CD-CD2 3.76Å; V95-L318 HydrophobicContact CG1-CD1 3.7Å; V95-L318 HydrophobicContact CG1-CD2 4.26Å; V95-L318 HydrophobicContact CG1-CG 4.11Å; V95-L318 HydrophobicContact CG2-CD1 4.13Å; N314-L318 WeakPolarHBondContact O-CG 3.41Å; N314-L318 PolarHBondContact O-N 3.43Å; L315-L318 PolarHBondContact O-N 3.04Å; S316-L318 VanDerWaalsContact C-N 3.33Å; S316-L318 PolarHBondContact O-N 3.49Å; L318-K320 VanDerWaalsContact C-N 3.27Å; L318-K320 PolarHBondContact O-N 3.5Å; L318-G321 PolarHBondContact O-N 3.2Å; L318-G321 VanDerWaalsContact O-N 3.12Å; L318-C324 HydrophobicContact CD2-CB 4.03Å
319E96.1Very high96.5Very high79 Ų7950.8 Ų50.837%0.36928%0.283SS..Hα-helixtrans-60-37.6177.6-174.2-176.8-14900111.8M1 F25 L315 S316 G321M1-E319 WeakPolarHBondContact CA-OE1 3.33Å; M1-E319 HydrophobicContact CB-CG 4.45Å; M1-E319 WeakPolarHBondContact CB-OE1 3.47Å; M1-E319 HydrophobicContact CE-CB 3.88Å; M1-E319 HydrophobicContact CE-CG 4.38Å; M1-E319 PolarHBondContact N-OE1 2.77Å; F25-E319 WeakPolarHBondContact CE1-OE2 3.39Å; L315-E319 PolarHBondContact O-N 3.27Å; S316-E319 PolarHBondContact O-N 3.11Å; E319-G321 VanDerWaalsContact C-N 3.31Å
320K95.8Very high96.5Very high128 Ų12848.2 Ų48.256%0.55727%0.273SS*.Hα-helixtrans-81-7.6178.6-67171.7-175.1162.60114.1S316 N317 L318 E322S316-K320 WeakPolarHBondContact O-CG 3.16Å; S316-K320 PolarHBondContact O-N 3.29Å; S316-K320 VanDerWaalsContact O-N 3.12Å; S316-K320 WeakPolarHBondContact OG-CE 3.38Å; S316-K320 PolarHBondContact OG-NZ 3.09Å; N317-K320 PolarHBondContact O-N 2.92Å; L318-K320 VanDerWaalsContact C-N 3.27Å; L318-K320 PolarHBondContact O-N 3.5Å; K320-E322 VanDerWaalsContact C-N 3.25Å; K320-E322 HydrophobicContact CB-CG 3.87Å; K320-E322 WeakPolarHBondContact CD-OE1 3.32Å; K320-E322 PolarHBondContact O-N 3.17Å
321G94.2Very high96.4Very high68 Ų6848.9 Ų48.970%0.70128%0.276SS*.THydrogen-bonded Turntrans69.622.4-17300000113.7N317 L318 E319N317-G321 PolarHBondContact O-N 3.47Å; N317-G321 VanDerWaalsContact O-N 3.13Å; L318-G321 PolarHBondContact O-N 3.2Å; L318-G321 VanDerWaalsContact O-N 3.12Å; E319-G321 VanDerWaalsContact C-N 3.31Å
322E94.4Very high96.2Very high96 Ų9651.6 Ų51.645%0.44929%0.292SS..  trans-82.9155.3175.6-65.9173.6-174.700110.9N317 K320 C324N317-E322 HydrophobicContact CB-CB 4.2Å; N317-E322 PolarHBondContact O-N 2.82Å; K320-E322 VanDerWaalsContact C-N 3.25Å; K320-E322 HydrophobicContact CB-CG 3.87Å; K320-E322 WeakPolarHBondContact CD-OE1 3.32Å; K320-E322 PolarHBondContact O-N 3.17Å; E322-C324 PolarHBondContact O-N 2.94Å
323T92.5Very high96.1Very high128 Ų12854.6 Ų54.679%0.78531%0.309SS*.  trans-62.7124.7174.1-54.60000110.5
324C95.7Very high96Very high6 Ų652.9 Ų52.94%0.04130%0.304CS..  trans-102.4114.2173.5-175.40000110V95 N314 N317 L318 E322 N326 E327V95-C324 HydrophobicContact CG1-CB 4.3Å; N314-C324 PolarHBondContact OD1-SG 3.12Å; N314-C324 VanDerWaalsContact OD1-SG 3.36Å; N317-C324 HydrophobicContact CB-CB 4.26Å; L318-C324 HydrophobicContact CD2-CB 4.03Å; E322-C324 PolarHBondContact O-N 2.94Å; C324-N326 PolarHBondContact O-N 3.13Å; C324-E327 HydrophobicContact CB-CB 4.2Å; C324-E327 WeakPolarHBondContact O-CB 3.14Å; C324-E327 PolarHBondContact O-N 3.12Å; C324-E327 VanDerWaalsContact O-N 3.15Å
325P95.8Very high95.8Very high110 Ų11056.2 Ų56.271%0.71432%0.323SS*.THydrogen-bonded Turntrans-66.2-11.9-179.128.2-35.8000113.5
326N97.1Very high95.6Very high34 Ų3460.2 Ų60.218%0.18235%0.346CS..THydrogen-bonded Turntrans-104.711.6-179.3-58.7-46.4000113.1V95 R96 P98 N314 C324V95-N326 WeakPolarHBondContact CA-O 3.33Å; R96-N326 PolarHBondContact N-O 3.25Å; R96-N326 VanDerWaalsContact O-CB 3.29Å; R96-N326 WeakPolarHBondContact O-CB 3.16Å; P98-N326 WeakPolarHBondContact CD-OD1 3.44Å; P98-N326 WeakPolarHBondContact CG-OD1 3.38Å; N314-N326 PolarHBondContact OD1-ND2 3.36Å; C324-N326 PolarHBondContact O-N 3.13Å
327E96.7Very high95.4Very high57 Ų5764.2 Ų64.227%0.26637%0.368SS..BIsolated β-bridgetrans-72.5131.7174.7-168.5168.6-164.800110.4K93 V94 V95 C324 V329K93-E327 WeakPolarHBondContact CD-OE1 3.48Å; K93-E327 WeakPolarHBondContact CE-OE1 3.43Å; K93-E327 IonicContact NZ-OE1 2.76Å; K93-E327 PolarHBondContact NZ-OE1 3.33Å; K93-E327 IonicContact NZ-OE2 2.85Å; V94-E327 CarbonylContact O-C 3.59Å; V94-E327 WeakPolarHBondContact O-CA 3.36Å; V95-E327 HydrophobicContact CG1-CB 4.17Å; C324-E327 HydrophobicContact CB-CB 4.2Å; C324-E327 WeakPolarHBondContact O-CB 3.14Å; C324-E327 PolarHBondContact O-N 3.12Å; C324-E327 VanDerWaalsContact O-N 3.15Å; E327-V329 VanDerWaalsContact CG-O 3.3Å; E327-V329 WeakPolarHBondContact CG-O 3.4Å
328L95.3Very high95.2Very high50 Ų5067.9 Ų67.926%0.26239%0.39SS..  trans-97.7-37.4177.6-63.3178.9000111.3F79 L84 V94 R96F79-L328 HydrophobicContact CB-CD1 3.85Å; F79-L328 HydrophobicContact CD1-CD1 4.15Å; F79-L328 HydrophobicContact CD2-CD1 4.18Å; F79-L328 HydrophobicContact CG-CD1 3.8Å; L84-L328 HydrophobicContact CD1-CB 4.2Å; L84-L328 HydrophobicContact CD1-CD1 4.34Å; L84-L328 HydrophobicContact CD2-CB 4.03Å; L84-L328 HydrophobicContact CD2-CD1 4.09Å; V94-L328 HydrophobicContact CB-CB 4.43Å; V94-L328 HydrophobicContact CG1-CD1 4.16Å; V94-L328 PolarHBondContact O-N 2.87Å; R96-L328 HydrophobicContact CG-CD1 4.3Å; R96-L328 HydrophobicContact CG-CD2 4.44Å; R96-L328 HydrophobicContact CG-CG 4.42Å
329V92.2Very high95.1Very high53 Ų5373.5 Ų73.532%0.32142%0.422SS..  trans-148.80175-64.10000110.8L84 A87 K88 K93 V94 E327L84-V329 HydrophobicContact CB-CG1 3.95Å; L84-V329 HydrophobicContact CD2-CG2 4.37Å; A87-V329 HydrophobicContact CB-CG2 3.85Å; K88-V329 HydrophobicContact CB-CB 4.15Å; K88-V329 HydrophobicContact CB-CG1 4.21Å; K93-V329 WeakPolarHBondContact CA-O 3.32Å; V94-V329 HydrophobicContact CB-CG2 3.84Å; V94-V329 HydrophobicContact CG2-CG2 3.59Å; V94-V329 PolarHBondContact N-O 3.48Å; V94-V329 VanDerWaalsContact N-O 3.08Å; E327-V329 VanDerWaalsContact CG-O 3.3Å; E327-V329 WeakPolarHBondContact CG-O 3.4Å

Retrieved 329 of 329 residues in 605.1 ms (Link to these results)

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