A0A077ZBD5_TRITR Loading...

acetyl-CoA C-acyltransferase

AlphaFold DB , UniProt , Accession A0A077ZBD5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 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
1M87Confident96Very high87 Ų8724.5 Ų24.543%0.42915%0.149SC..  0610-161.9173.5-173.800110.3C3 I4 S5 Q8 Y209 L330M1-C3 PolarHBondContact O-N 2.91Å; M1-I4 HydrophobicContact CB-CG1 4.21Å; M1-I4 HydrophobicContact CE-CD1 4.08Å; M1-I4 HydrophobicContact CG-CD1 4.08Å; M1-I4 HydrophobicContact CG-CG1 3.85Å; M1-I4 CarbonylContact O-C 3.43Å; M1-I4 WeakPolarHBondContact O-CG1 3.44Å; M1-I4 PolarHBondContact O-N 3.23Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-I4 HydrophobicContact SD-CD1 4Å; M1-I4 HydrophobicContact SD-CG1 4.19Å; M1-S5 WeakPolarHBondContact CA-OG 3.26Å; M1-S5 PolarHBondContact N-OG 3.25Å; M1-S5 PolarHBondContact O-N 3.09Å; M1-Q8 HydrophobicContact CB-CB 4.43Å; M1-Q8 HydrophobicContact SD-CB 4.37Å; M1-Q8 HydrophobicContact SD-CG 4.48Å; M1-Y209 HydrophobicContact CE-CD1 4.05Å; M1-Y209 HydrophobicContact SD-CD1 4.27Å; M1-Y209 HydrophobicContact SD-CE1 4.24Å; M1-L330 HydrophobicContact CE-CD1 3.79Å; M1-L330 HydrophobicContact CE-CD2 4.25Å; M1-L330 HydrophobicContact CE-CG 4.47Å; M1-L330 HydrophobicContact CG-CD1 3.76Å
2A90Very high96.2Very high41 Ų4127.2 Ų27.234%0.33917%0.17SC..G310 helixtrans45-135.7-178.500000113.9I4 S5 A326 A327A2-I4 PolarHBondContact O-N 3.31Å; A2-I4 VanDerWaalsContact O-N 3.12Å; A2-S5 PolarHBondContact N-OG 2.94Å; A2-S5 WeakPolarHBondContact O-CB 3.43Å; A2-S5 PolarHBondContact O-N 3.33Å; A2-S5 VanDerWaalsContact O-N 3.14Å; A2-S5 PolarHBondContact O-OG 2.77Å; A2-A326 HydrophobicContact CB-CB 4.1Å; A2-A327 HydrophobicContact CB-CB 3.91Å; A2-A327 WeakPolarHBondContact CB-O 3.31Å
3C93.8Very high96.4Very high11 Ų1126.6 Ų26.67%0.07417%0.167CC..G310 helixtrans-62.5-17.5-178.4-500000114.2M1 H295 F297 C325 A326M1-C3 PolarHBondContact O-N 2.91Å; C3-H295 PolarHBondContact SG-NE2 3.19Å; C3-F297 CarbonylContact C-O 3.42Å; C3-C325 WeakPolarHBondContact CB-O 3.47Å; C3-A326 HydrophobicContact CB-CB 3.93Å
4I97.1Very high96.5Very high0 Ų026.1 Ų26.10%016%0.162CC..G310 helixtrans-10318.2179.860.8179.2000112.5M1 A2 S6 N7 Q8 Y209 A324 A326 L330 H332M1-I4 HydrophobicContact CB-CG1 4.21Å; M1-I4 HydrophobicContact CE-CD1 4.08Å; M1-I4 HydrophobicContact CG-CD1 4.08Å; M1-I4 HydrophobicContact CG-CG1 3.85Å; M1-I4 CarbonylContact O-C 3.43Å; M1-I4 WeakPolarHBondContact O-CG1 3.44Å; M1-I4 PolarHBondContact O-N 3.23Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-I4 HydrophobicContact SD-CD1 4Å; M1-I4 HydrophobicContact SD-CG1 4.19Å; A2-I4 PolarHBondContact O-N 3.31Å; A2-I4 VanDerWaalsContact O-N 3.12Å; I4-S6 PolarHBondContact O-N 2.76Å; I4-N7 HydrophobicContact CB-CB 4.18Å; I4-N7 WeakPolarHBondContact O-CB 3.42Å; I4-N7 PolarHBondContact O-N 3.43Å; I4-N7 VanDerWaalsContact O-N 3.15Å; I4-Q8 PolarHBondContact O-N 3.11Å; I4-Y209 HydrophobicContact CD1-CD1 3.87Å; I4-Y209 HydrophobicContact CD1-CE1 3.91Å; I4-A324 HydrophobicContact CG2-CB 3.6Å; I4-A326 HydrophobicContact CB-CB 4.31Å; I4-A326 HydrophobicContact CD1-CB 4.02Å; I4-A326 HydrophobicContact CG1-CB 3.74Å; I4-A326 HydrophobicContact CG2-CB 3.95Å; I4-L330 HydrophobicContact CD1-CB 3.93Å; I4-H332 HydrophobicContact CB-CB 4.41Å; I4-H332 HydrophobicContact CD1-CB 4.26Å; I4-H332 HydrophobicContact CG2-CB 4Å
5S98.1Very high96.5Very high38 Ų3827.6 Ų27.627%0.26617%0.166SC..Hα-helixtrans-60.4-44.4-179.9-60.10000113.1M1 A2 N7 Q8 A9M1-S5 WeakPolarHBondContact CA-OG 3.26Å; M1-S5 PolarHBondContact N-OG 3.25Å; M1-S5 PolarHBondContact O-N 3.09Å; A2-S5 PolarHBondContact N-OG 2.94Å; A2-S5 WeakPolarHBondContact O-CB 3.43Å; A2-S5 PolarHBondContact O-N 3.33Å; A2-S5 VanDerWaalsContact O-N 3.14Å; A2-S5 PolarHBondContact O-OG 2.77Å; S5-N7 VanDerWaalsContact C-N 3.34Å; S5-Q8 WeakPolarHBondContact O-CB 3.33Å; S5-Q8 PolarHBondContact O-N 3.32Å; S5-A9 PolarHBondContact O-N 2.94Å
6S98Very high96.6Very high0 Ų028.9 Ų28.90%017%0.174CC..Hα-helixtrans-72.4-25.217550.30000113.4I4 Q8 A9 I10 G298 A299 G301 V302I4-S6 PolarHBondContact O-N 2.76Å; S6-Q8 VanDerWaalsContact C-N 3.35Å; S6-A9 WeakPolarHBondContact O-CB 3.46Å; S6-A9 PolarHBondContact O-N 3.46Å; S6-I10 WeakPolarHBondContact O-CG1 3.38Å; S6-I10 PolarHBondContact O-N 3.23Å; S6-G298 WeakPolarHBondContact CB-O 3.49Å; S6-G298 PolarHBondContact N-O 2.92Å; S6-G298 PolarHBondContact OG-O 3.04Å; S6-A299 PolarHBondContact OG-O 2.96Å; S6-G301 VanDerWaalsContact OG-CA 3.23Å; S6-G301 WeakPolarHBondContact OG-CA 3.27Å; S6-G301 PolarHBondContact OG-N 3.36Å; S6-V302 PolarHBondContact OG-N 3.47Å
7N98.5Very high96.7Very high1 Ų127.9 Ų27.91%0.00517%0.168CC..Hα-helixtrans-64.3-43.5168-65.9-79.6000110.3I4 S5 A9 I10 T11 Y209 G301 H332I4-N7 HydrophobicContact CB-CB 4.18Å; I4-N7 WeakPolarHBondContact O-CB 3.42Å; I4-N7 PolarHBondContact O-N 3.43Å; I4-N7 VanDerWaalsContact O-N 3.15Å; S5-N7 VanDerWaalsContact C-N 3.34Å; N7-A9 VanDerWaalsContact C-N 3.28Å; N7-A9 PolarHBondContact O-N 2.73Å; N7-I10 WeakPolarHBondContact O-CB 3.46Å; N7-I10 PolarHBondContact O-N 2.99Å; N7-I10 VanDerWaalsContact O-N 3.14Å; N7-T11 PolarHBondContact O-N 3.12Å; N7-T11 PolarHBondContact O-OG1 2.94Å; N7-Y209 PolarHBondContact O-OH 3.43Å; N7-G301 VanDerWaalsContact ND2-CA 3.31Å; N7-G301 WeakPolarHBondContact ND2-CA 3.4Å; N7-H332 PolarHBondContact OD1-CE1 3.45Å; N7-H332 PolarHBondContact OD1-ND1 3.33Å
8Q98.3Very high96.6Very high63 Ų6336.1 Ų36.129%0.29420%0.196SC..Hα-helixtrans-60.5-40.4175-175.659.553.100111.2M1 I4 S5 S6 T11 S12 Y209M1-Q8 HydrophobicContact CB-CB 4.43Å; M1-Q8 HydrophobicContact SD-CB 4.37Å; M1-Q8 HydrophobicContact SD-CG 4.48Å; I4-Q8 PolarHBondContact O-N 3.11Å; S5-Q8 WeakPolarHBondContact O-CB 3.33Å; S5-Q8 PolarHBondContact O-N 3.32Å; S6-Q8 VanDerWaalsContact C-N 3.35Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.42Å; Q8-T11 PolarHBondContact O-N 3.02Å; Q8-T11 PolarHBondContact O-OG1 3.01Å; Q8-T11 VanDerWaalsContact O-OG1 3.08Å; Q8-S12 PolarHBondContact NE2-OG 3.2Å; Q8-S12 VanDerWaalsContact O-CB 3.28Å; Q8-S12 WeakPolarHBondContact O-CB 3.25Å; Q8-S12 PolarHBondContact O-N 3.21Å; Q8-S12 PolarHBondContact O-OG 3.2Å; Q8-S12 VanDerWaalsContact O-OG 3.13Å; Q8-Y209 WeakPolarHBondContact CA-OH 3.19Å; Q8-Y209 PolarHBondContact N-OH 3.08Å
9A98.5Very high96.7Very high28 Ų2838.2 Ų38.223%0.23121%0.213CC..Hα-helixtrans-59.5-45.8173.500000112.1S5 S6 N7 C13 A27 A28S5-A9 PolarHBondContact O-N 2.94Å; S6-A9 WeakPolarHBondContact O-CB 3.46Å; S6-A9 PolarHBondContact O-N 3.46Å; N7-A9 VanDerWaalsContact C-N 3.28Å; N7-A9 PolarHBondContact O-N 2.73Å; A9-C13 WeakPolarHBondContact O-CB 3.08Å; A9-C13 PolarHBondContact O-N 3.17Å; A9-C13 PolarHBondContact O-SG 3.4Å; A9-A27 HydrophobicContact CB-CB 4.41Å; A9-A28 WeakPolarHBondContact CB-O 3.24Å
10I98.6Very high96.7Very high1 Ų139.4 Ų39.41%0.00523%0.234CC..Hα-helixtrans-56.7-54.2174.4-69.6157.6000110.2S6 N7 S12 C13 M14 A27 I187 L204 V302 L305 L334S6-I10 WeakPolarHBondContact O-CG1 3.38Å; S6-I10 PolarHBondContact O-N 3.23Å; N7-I10 WeakPolarHBondContact O-CB 3.46Å; N7-I10 PolarHBondContact O-N 2.99Å; N7-I10 VanDerWaalsContact O-N 3.14Å; I10-S12 PolarHBondContact O-N 2.79Å; I10-C13 WeakPolarHBondContact O-CB 3.25Å; I10-C13 PolarHBondContact O-N 2.82Å; I10-M14 HydrophobicContact CG2-CG 4.23Å; I10-M14 HydrophobicContact CG2-SD 3.79Å; I10-M14 VanDerWaalsContact O-CG 3.31Å; I10-M14 WeakPolarHBondContact O-CG 3.36Å; I10-M14 PolarHBondContact O-N 2.85Å; I10-A27 HydrophobicContact CB-CB 4.41Å; I10-A27 HydrophobicContact CG1-CB 3.98Å; I10-I187 HydrophobicContact CG2-CD1 4.08Å; I10-L204 HydrophobicContact CG2-CD1 3.94Å; I10-V302 HydrophobicContact CD1-CB 4.32Å; I10-V302 HydrophobicContact CD1-CG2 3.51Å; I10-V302 HydrophobicContact CG1-CG2 3.66Å; I10-L305 HydrophobicContact CD1-CB 4.15Å; I10-L305 HydrophobicContact CD1-CD2 3.57Å; I10-L305 HydrophobicContact CG1-CD2 4.08Å; I10-L305 HydrophobicContact CG2-CD2 4.17Å; I10-L334 HydrophobicContact CG2-CD2 4.37Å
11T98.3Very high96.7Very high0 Ų042 Ų420%025%0.251CS..Hα-helixtrans-67.5-37-17554.80000112.1N7 Q8 C13 M14 E15 Y207 Y209N7-T11 PolarHBondContact O-N 3.12Å; N7-T11 PolarHBondContact O-OG1 2.94Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.42Å; Q8-T11 PolarHBondContact O-N 3.02Å; Q8-T11 PolarHBondContact O-OG1 3.01Å; Q8-T11 VanDerWaalsContact O-OG1 3.08Å; T11-C13 VanDerWaalsContact C-N 3.33Å; T11-C13 PolarHBondContact O-N 3.14Å; T11-M14 HydrophobicContact CG2-SD 4.37Å; T11-M14 WeakPolarHBondContact O-CB 3.43Å; T11-M14 PolarHBondContact O-N 3.01Å; T11-E15 WeakPolarHBondContact O-CG 3.28Å; T11-E15 PolarHBondContact O-N 3.24Å; T11-Y207 HydrophobicContact CG2-CD1 3.87Å; T11-Y207 HydrophobicContact CG2-CD2 3.45Å; T11-Y207 VanDerWaalsContact CG2-CD2 3.45Å; T11-Y207 HydrophobicContact CG2-CE1 4.15Å; T11-Y207 HydrophobicContact CG2-CE2 3.79Å; T11-Y207 HydrophobicContact CG2-CG 3.5Å; T11-Y209 HydrophobicContact CG2-CE2 3.91Å; T11-Y209 WeakPolarHBondContact CG2-OH 3.3Å; T11-Y209 WeakPolarHBondContact OG1-CE2 3.4Å; T11-Y209 PolarHBondContact OG1-OH 3.43Å
12S98.3Very high97.2Very high56 Ų5643.7 Ų43.739%0.39226%0.256SS..Hα-helixtrans-62.8-40.6173.2-72.50000111.6Q8 I10 E15 V16Q8-S12 PolarHBondContact NE2-OG 3.2Å; Q8-S12 VanDerWaalsContact O-CB 3.28Å; Q8-S12 WeakPolarHBondContact O-CB 3.25Å; Q8-S12 PolarHBondContact O-N 3.21Å; Q8-S12 PolarHBondContact O-OG 3.2Å; Q8-S12 VanDerWaalsContact O-OG 3.13Å; I10-S12 PolarHBondContact O-N 2.79Å; S12-E15 PolarHBondContact O-N 3.36Å; S12-V16 PolarHBondContact O-N 3.44Å; S12-V16 VanDerWaalsContact O-N 3.13Å
13C98.2Very high97.5Very high20 Ų2046.6 Ų46.614%0.13526%0.262CS..Hα-helixtrans-66-41.5173.4-69.70000112A9 I10 T11 E15 V16 V17 A25 A27 I187A9-C13 WeakPolarHBondContact O-CB 3.08Å; A9-C13 PolarHBondContact O-N 3.17Å; A9-C13 PolarHBondContact O-SG 3.4Å; I10-C13 WeakPolarHBondContact O-CB 3.25Å; I10-C13 PolarHBondContact O-N 2.82Å; T11-C13 VanDerWaalsContact C-N 3.33Å; T11-C13 PolarHBondContact O-N 3.14Å; C13-E15 VanDerWaalsContact C-N 3.28Å; C13-E15 PolarHBondContact O-N 2.89Å; C13-V16 VanDerWaalsContact O-CG2 3.28Å; C13-V16 WeakPolarHBondContact O-CG2 3.31Å; C13-V16 PolarHBondContact O-N 3.45Å; C13-V17 WeakPolarHBondContact O-CB 3.35Å; C13-V17 VanDerWaalsContact O-CG2 3.28Å; C13-V17 WeakPolarHBondContact O-CG2 3.35Å; C13-V17 PolarHBondContact O-N 3.26Å; C13-A25 HydrophobicContact CB-CB 3.84Å; C13-A27 HydrophobicContact CB-CB 4.06Å; C13-I187 HydrophobicContact CB-CD1 3.85Å
14M97.7Very high97.7Very high20 Ų2048.8 Ų48.810%0.09928%0.275CS..Hα-helixtrans-56.8-43.8174-71.8170.462.200111.2I10 T11 V17 R18 I187 L204 Y207 L334I10-M14 HydrophobicContact CG2-CG 4.23Å; I10-M14 HydrophobicContact CG2-SD 3.79Å; I10-M14 VanDerWaalsContact O-CG 3.31Å; I10-M14 WeakPolarHBondContact O-CG 3.36Å; I10-M14 PolarHBondContact O-N 2.85Å; T11-M14 HydrophobicContact CG2-SD 4.37Å; T11-M14 WeakPolarHBondContact O-CB 3.43Å; T11-M14 PolarHBondContact O-N 3.01Å; M14-V17 PolarHBondContact O-N 3.23Å; M14-R18 WeakPolarHBondContact O-CB 3.45Å; M14-R18 PolarHBondContact O-N 3.41Å; M14-I187 HydrophobicContact CG-CD1 4.41Å; M14-L204 HydrophobicContact CE-CB 3.54Å; M14-L204 HydrophobicContact CG-CB 4.12Å; M14-L204 HydrophobicContact CG-CD1 3.54Å; M14-L204 HydrophobicContact CG-CG 4.48Å; M14-L204 HydrophobicContact SD-CB 3.66Å; M14-L204 HydrophobicContact SD-CD1 3.69Å; M14-L204 HydrophobicContact SD-CG 4.27Å; M14-Y207 HydrophobicContact CE-CD1 3.94Å; M14-Y207 HydrophobicContact CE-CE1 4.45Å; M14-L334 HydrophobicContact CE-CD1 4.12Å; M14-L334 HydrophobicContact SD-CD1 4.14Å
15E97.8Very high97.8Very high48 Ų4849.4 Ų49.422%0.22428%0.28CS..Hα-helixtrans-69.5-42.1-178.1-70.7-52.7139.900113.1T11 S12 C13 V17 R18 S19 Y207T11-E15 WeakPolarHBondContact O-CG 3.28Å; T11-E15 PolarHBondContact O-N 3.24Å; S12-E15 PolarHBondContact O-N 3.36Å; C13-E15 VanDerWaalsContact C-N 3.28Å; C13-E15 PolarHBondContact O-N 2.89Å; E15-V17 VanDerWaalsContact C-N 3.29Å; E15-V17 PolarHBondContact O-N 3.36Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 IonicContact OE1-CZ 3.65Å; E15-R18 IonicContact OE1-NE 3.82Å; E15-R18 PolarHBondContact OE1-NE 2.86Å; E15-R18 IonicContact OE1-NH1 2.75Å; E15-R18 IonicContact OE1-NH2 2.81Å; E15-R18 PolarHBondContact OE1-NH2 3.39Å; E15-R18 IonicContact OE2-CZ 3.76Å; E15-R18 VanDerWaalsContact OE2-CZ 3.23Å; E15-R18 IonicContact OE2-NE 2.68Å; E15-R18 PolarHBondContact OE2-NE 2.65Å; E15-R18 VanDerWaalsContact OE2-NE 3.11Å; E15-R18 IonicContact OE2-NH2 3.62Å; E15-R18 PolarHBondContact OE2-NH2 3.24Å; E15-S19 VanDerWaalsContact O-CB 3.26Å; E15-S19 WeakPolarHBondContact O-CB 3.22Å; E15-S19 PolarHBondContact O-N 3.32Å; E15-S19 PolarHBondContact O-OG 3.25Å; E15-Y207 WeakPolarHBondContact CG-OH 3.47Å; E15-Y207 VanDerWaalsContact OE1-CE1 3.31Å; E15-Y207 WeakPolarHBondContact OE1-CE1 3.4Å; E15-Y207 PolarHBondContact OE1-OH 3.43Å
16V97.8Very high97.8Very high48 Ų4852.2 Ų52.229%0.29130%0.295SS..Hα-helixtrans-68.7-30176.3-59.80000112.4S12 C13 S19 V21 F22S12-V16 PolarHBondContact O-N 3.44Å; S12-V16 VanDerWaalsContact O-N 3.13Å; C13-V16 VanDerWaalsContact O-CG2 3.28Å; C13-V16 WeakPolarHBondContact O-CG2 3.31Å; C13-V16 PolarHBondContact O-N 3.45Å; V16-S19 WeakPolarHBondContact CA-OG 3.4Å; V16-S19 PolarHBondContact O-OG 3.32Å; V16-V21 PolarHBondContact O-N 2.83Å; V16-V21 VanDerWaalsContact O-N 3.14Å; V16-F22 HydrophobicContact CB-CD2 3.94Å; V16-F22 HydrophobicContact CG2-CD2 3.89Å; V16-F22 PolarHBondContact O-N 3.39Å
17V97.8Very high97.8Very high13 Ų1352.2 Ų52.28%0.07930%0.296CS..Hα-helixtrans-73.3-44.4172.6173.30000111.6C13 M14 E15 G20 F22 A25 I187 T189C13-V17 WeakPolarHBondContact O-CB 3.35Å; C13-V17 VanDerWaalsContact O-CG2 3.28Å; C13-V17 WeakPolarHBondContact O-CG2 3.35Å; C13-V17 PolarHBondContact O-N 3.26Å; M14-V17 PolarHBondContact O-N 3.23Å; E15-V17 VanDerWaalsContact C-N 3.29Å; E15-V17 PolarHBondContact O-N 3.36Å; V17-G20 PolarHBondContact O-N 2.92Å; V17-F22 VanDerWaalsContact CA-O 3.3Å; V17-F22 WeakPolarHBondContact CA-O 3.29Å; V17-A25 HydrophobicContact CG2-CB 3.82Å; V17-I187 HydrophobicContact CG2-CG2 4.43Å; V17-T189 HydrophobicContact CG1-CG2 3.65Å
18R95.8Very high97.8Very high175 Ų17554.6 Ų54.666%0.6632%0.316SS*.Hα-helixtrans-66.2-36.7179.4-176.2174.573.2160.54.6112.8M14 E15 G20M14-R18 WeakPolarHBondContact O-CB 3.45Å; M14-R18 PolarHBondContact O-N 3.41Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 IonicContact OE1-CZ 3.65Å; E15-R18 IonicContact OE1-NE 3.82Å; E15-R18 PolarHBondContact OE1-NE 2.86Å; E15-R18 IonicContact OE1-NH1 2.75Å; E15-R18 IonicContact OE1-NH2 2.81Å; E15-R18 PolarHBondContact OE1-NH2 3.39Å; E15-R18 IonicContact OE2-CZ 3.76Å; E15-R18 VanDerWaalsContact OE2-CZ 3.23Å; E15-R18 IonicContact OE2-NE 2.68Å; E15-R18 PolarHBondContact OE2-NE 2.65Å; E15-R18 VanDerWaalsContact OE2-NE 3.11Å; E15-R18 IonicContact OE2-NH2 3.62Å; E15-R18 PolarHBondContact OE2-NH2 3.24Å; R18-G20 PolarHBondContact O-N 3.29Å
19S97.3Very high97.8Very high76 Ų7652.3 Ų52.353%0.53131%0.309SS..THydrogen-bonded Turntrans-74.6-7.9176.355.40000113.7E15 V16 V21E15-S19 VanDerWaalsContact O-CB 3.26Å; E15-S19 WeakPolarHBondContact O-CB 3.22Å; E15-S19 PolarHBondContact O-N 3.32Å; E15-S19 PolarHBondContact O-OG 3.25Å; V16-S19 WeakPolarHBondContact CA-OG 3.4Å; V16-S19 PolarHBondContact O-OG 3.32Å; S19-V21 VanDerWaalsContact C-N 3.28Å; S19-V21 PolarHBondContact O-N 2.92Å
20G97.1Very high97.7Very high61 Ų6155.8 Ų55.863%0.62933%0.327SS*.THydrogen-bonded Turntrans77.97.9179.700000114.6V17 R18 F22V17-G20 PolarHBondContact O-N 2.92Å; R18-G20 PolarHBondContact O-N 3.29Å; G20-F22 VanDerWaalsContact C-N 3.33Å
21V97.3Very high97.6Very high96 Ų9658.4 Ų58.458%0.58234%0.339SS*.SBendtrans-65.9-39.1175.4176.10000110.7V16 S19V16-V21 PolarHBondContact O-N 2.83Å; V16-V21 VanDerWaalsContact O-N 3.14Å; S19-V21 VanDerWaalsContact C-N 3.28Å; S19-V21 PolarHBondContact O-N 2.92Å
22F97.2Very high97.4Very high122 Ų12262.7 Ų62.754%0.53536%0.362SS..  trans-132149.2173.3-62.2-65.5000110.5V16 V17 G20V16-F22 HydrophobicContact CB-CD2 3.94Å; V16-F22 HydrophobicContact CG2-CD2 3.89Å; V16-F22 PolarHBondContact O-N 3.39Å; V17-F22 VanDerWaalsContact CA-O 3.3Å; V17-F22 WeakPolarHBondContact CA-O 3.29Å; G20-F22 VanDerWaalsContact C-N 3.33Å
23E97Very high97.1Very high102 Ų10261.9 Ų61.948%0.47735%0.352SS..SBendtrans-89.3-25.5172.8-61.3-172.7102.900112.8T188 T189 K192E23-T188 VanDerWaalsContact O-CA 3.25Å; E23-T188 WeakPolarHBondContact O-CA 3.3Å; E23-T188 PolarHBondContact O-OG1 3.34Å; E23-T188 VanDerWaalsContact O-OG1 3.11Å; E23-T189 PolarHBondContact O-N 2.89Å; E23-T189 VanDerWaalsContact O-N 3.12Å; E23-K192 HydrophobicContact CB-CB 4.2Å; E23-K192 HydrophobicContact CB-CD 4.37Å; E23-K192 HydrophobicContact CB-CG 3.99Å; E23-K192 WeakPolarHBondContact OE2-CE 3.32Å; E23-K192 IonicContact OE2-NZ 2.77Å; E23-K192 PolarHBondContact OE2-NZ 3.34Å
24V97.8Very high96.6Very high57 Ų5765.6 Ų65.635%0.34538%0.378SS..EExtended strand (participates in β ladder)trans-137.3133.7-174.8-174.30000108.7L186 I187 K192 L196V24-L186 HydrophobicContact CG1-CD1 3.55Å; V24-L186 HydrophobicContact CG1-CG 4.39Å; V24-I187 CarbonylContact C-O 3.6Å; V24-I187 WeakPolarHBondContact CA-O 3.47Å; V24-K192 HydrophobicContact CG2-CG 3.67Å; V24-L196 HydrophobicContact CG2-CD1 4.44Å
25A98Very high96.1Very high13 Ų1370.5 Ų70.511%0.10741%0.405CS..EExtended strand (participates in β ladder)trans-141.1148.7177.500000110.9C13 V17 I187C13-A25 HydrophobicContact CB-CB 3.84Å; V17-A25 HydrophobicContact CG2-CB 3.82Å; A25-I187 PolarHBondContact N-O 2.96Å; A25-I187 PolarHBondContact O-N 3.04Å; A25-I187 VanDerWaalsContact O-O 3.11Å
26V98.3Very high95.4Very high96 Ų9670.8 Ų70.858%0.58241%0.41SS*.EExtended strand (participates in β ladder)trans-108.3115172.1179.40000108.3A184 C185 L186V26-A184 HydrophobicContact CG1-CB 4.34Å; V26-C185 WeakPolarHBondContact CA-O 3.43Å; V26-L186 HydrophobicContact CG2-CD1 3.92Å
27A98.4Very high94.7Very high1 Ų172.5 Ų72.51%0.00842%0.422CS..EExtended strand (participates in β ladder)trans-93127.7170.100000108.8A9 I10 C13 A184 C185 I187A9-A27 HydrophobicContact CB-CB 4.41Å; I10-A27 HydrophobicContact CB-CB 4.41Å; I10-A27 HydrophobicContact CG1-CB 3.98Å; C13-A27 HydrophobicContact CB-CB 4.06Å; A27-A184 CarbonylContact O-C 3.43Å; A27-A184 VanDerWaalsContact O-CA 3.29Å; A27-A184 WeakPolarHBondContact O-CA 3.3Å; A27-C185 PolarHBondContact N-O 3.5Å; A27-C185 PolarHBondContact O-N 3.13Å; A27-I187 HydrophobicContact CB-CD1 3.91Å
28A98.1Very high93.9Very high51 Ų5176.8 Ų76.842%0.42144%0.443SS..EExtended strand (participates in β ladder)trans-140.7165.9-177.900000111.8A9 S183 A184A9-A28 WeakPolarHBondContact CB-O 3.24Å; A28-S183 CarbonylContact C-O 3.54Å; A28-S183 WeakPolarHBondContact CA-O 3.46Å; A28-S183 WeakPolarHBondContact CB-O 3.31Å; A28-A184 HydrophobicContact CB-CB 3.93Å
29G97.8Very high93.3Very high14 Ų1475.6 Ų75.614%0.14444%0.439CS..EExtended strand (participates in β ladder)trans-155.8150.5174.300000110.8A182 S183 G298 A299G29-A182 CarbonylContact O-C 3.57Å; G29-A182 VanDerWaalsContact O-CA 3.29Å; G29-A182 WeakPolarHBondContact O-CA 3.43Å; G29-S183 PolarHBondContact N-O 3.09Å; G29-S183 PolarHBondContact O-N 2.76Å; G29-G298 VanDerWaalsContact CA-O 3.26Å; G29-G298 WeakPolarHBondContact CA-O 3.39Å; G29-A299 WeakPolarHBondContact O-CB 3.34Å
30V97.5Very high92.7Very high102 Ų10275.4 Ų75.462%0.61843%0.431SS*.EExtended strand (participates in β ladder)trans-144148.2-179.861.40000109.3G181 A182V30-G181 WeakPolarHBondContact CA-O 3.49Å; V30-A182 HydrophobicContact CB-CB 4.16Å; V30-A182 HydrophobicContact CG2-CB 4.01Å
31E96.1Very high92.1Very high56 Ų5673 Ų7326%0.26241%0.405SS..EExtended strand (participates in β ladder)trans-145.2140.4167.1-162.563.2-99.100110M33 D180 G181 P296 F297 G298E31-M33 VanDerWaalsContact CD-CE 3.48Å; E31-M33 HydrophobicContact CG-CE 3.51Å; E31-M33 HydrophobicContact CG-CG 4.07Å; E31-M33 HydrophobicContact CG-SD 4.45Å; E31-M33 VanDerWaalsContact OE1-CE 3.24Å; E31-M33 WeakPolarHBondContact OE1-CE 3.31Å; E31-D180 WeakPolarHBondContact O-CA 3.4Å; E31-G181 PolarHBondContact N-O 2.72Å; E31-G181 PolarHBondContact O-N 3.03Å; E31-P296 HydrophobicContact CB-CB 3.8Å; E31-F297 HydrophobicContact CG-CB 4.18Å; E31-G298 PolarHBondContact OE2-N 3.41Å
32L94.4Very high91.5Very high90 Ų9078.3 Ų78.347%0.47142%0.415SS..  trans-130.893.6176.2-177.165.7000108.3D35 D180L32-D35 HydrophobicContact CD2-CB 3.8Å; L32-D35 HydrophobicContact CG-CB 4.07Å; L32-D180 WeakPolarHBondContact CA-OD1 3.13Å; L32-D180 HydrophobicContact CD1-CB 3.97Å
33M91.4Very high90.9Very high38 Ų3876.7 Ų76.719%0.18741%0.407CS..SBendtrans-85.1-16.3178.8-70.7-66.3100.800112.9E31 D35 V36 L178 D180 F297E31-M33 VanDerWaalsContact CD-CE 3.48Å; E31-M33 HydrophobicContact CG-CE 3.51Å; E31-M33 HydrophobicContact CG-CG 4.07Å; E31-M33 HydrophobicContact CG-SD 4.45Å; E31-M33 VanDerWaalsContact OE1-CE 3.24Å; E31-M33 WeakPolarHBondContact OE1-CE 3.31Å; M33-D35 VanDerWaalsContact C-N 3.3Å; M33-V36 HydrophobicContact CE-CG2 4.13Å; M33-V36 WeakPolarHBondContact O-CG2 3.45Å; M33-V36 HydrophobicContact SD-CG2 4.26Å; M33-L178 HydrophobicContact CB-CB 4.25Å; M33-D180 WeakPolarHBondContact CA-OD1 3.29Å; M33-D180 PolarHBondContact N-OD1 3.21Å; M33-F297 HydrophobicContact CE-CD2 4.36Å; M33-F297 HydrophobicContact SD-CD2 4.16Å; M33-F297 HydrophobicContact SD-CE2 3.78Å; M33-F297 HydrophobicContact SD-CZ 4.49Å
34S89.2Confident90.3Very high98 Ų9871.9 Ų71.969%0.68539%0.385SS*.THydrogen-bonded Turntrans-73.2-19.5174.6-66.80000113.8D180S34-D180 WeakPolarHBondContact CB-OD2 3.44Å; S34-D180 PolarHBondContact N-OD1 3.21Å; S34-D180 PolarHBondContact OG-OD1 2.74Å; S34-D180 PolarHBondContact OG-OD2 3.01Å
35D87.3Confident89.8Confident123 Ų12374.7 Ų74.766%0.65839%0.389SS*.THydrogen-bonded Turntrans-130.154.8-177.6-16927.7000111.8L32 M33L32-D35 HydrophobicContact CD2-CB 3.8Å; L32-D35 HydrophobicContact CG-CB 4.07Å; M33-D35 VanDerWaalsContact C-N 3.3Å
36V83Confident89.3Confident54 Ų5482.4 Ų82.433%0.32742%0.416SS..PPolyproline II helixtrans-76.3123.7178-168.60000109.6M33 I38 P78M33-V36 HydrophobicContact CE-CG2 4.13Å; M33-V36 WeakPolarHBondContact O-CG2 3.45Å; M33-V36 HydrophobicContact SD-CG2 4.26Å; V36-I38 PolarHBondContact O-N 3.3Å; V36-P78 HydrophobicContact CB-CB 4.41Å; V36-P78 HydrophobicContact CB-CG 3.93Å; V36-P78 HydrophobicContact CG1-CB 3.45Å; V36-P78 VanDerWaalsContact CG1-CB 3.45Å; V36-P78 HydrophobicContact CG1-CG 3.46Å; V36-P78 VanDerWaalsContact CG1-CG 3.46Å
37P82.1Confident88.6Confident84 Ų8478.4 Ų78.455%0.54539%0.391SS..PPolyproline II helixtrans-67.1130.5-175.125.8-34.7000111.8
38I81.8Confident88Confident103 Ų10381.5 Ų81.553%0.52841%0.407SS..PPolyproline II helixtrans-72.3128.9169.9-56.3172.9000108.4V36 L75 F77V36-I38 PolarHBondContact O-N 3.3Å; I38-L75 HydrophobicContact CG2-CB 4.08Å; I38-L75 HydrophobicContact CG2-CD1 4.2Å; I38-L75 HydrophobicContact CG2-CD2 4.33Å; I38-L75 HydrophobicContact CG2-CG 4.43Å; I38-F77 HydrophobicContact CD1-CE1 4.3Å; I38-F77 HydrophobicContact CG2-CE1 4.44Å
39R82.3Confident87.5Confident150 Ų15084.1 Ų84.157%0.56641%0.414SS*.EExtended strand (participates in β ladder)trans-100.7142.5-176.8-68.8178.2179.8176.22.6110.6E76R39-E76 HydrophobicContact CB-CB 4.16Å; R39-E76 PolarHBondContact N-O 3.07Å; R39-E76 VanDerWaalsContact N-O 3.09Å; R39-E76 PolarHBondContact O-N 3.26Å
40L84.1Confident86.9Confident72 Ų7286.2 Ų86.238%0.37742%0.422SS..EExtended strand (participates in β ladder)trans-68.2140.9160.9-60.1-175.6000109L44 R45 L48 L75L40-L44 HydrophobicContact CB-CD2 4.12Å; L40-L44 HydrophobicContact CD1-CD2 4.12Å; L40-L44 HydrophobicContact CD1-CG 4.48Å; L40-L44 HydrophobicContact CD2-CD2 3.88Å; L40-L44 HydrophobicContact CG-CD2 4.25Å; L40-R45 PolarHBondContact O-NH2 2.76Å; L40-L48 HydrophobicContact CD1-CD1 4.02Å; L40-L75 HydrophobicContact CD2-CD2 3.83Å
41S84.5Confident86.2Confident11 Ų1182.5 Ų82.58%0.07740%0.401CS..PPolyproline II helixtrans-54.2150.4177.365.60000112.4F43 L44 R45 A74 E76S41-F43 PolarHBondContact O-N 3.37Å; S41-L44 PolarHBondContact O-N 3.4Å; S41-L44 VanDerWaalsContact O-N 3.13Å; S41-L44 WeakPolarHBondContact OG-CB 3.28Å; S41-L44 PolarHBondContact OG-N 2.9Å; S41-R45 WeakPolarHBondContact O-CB 3.14Å; S41-R45 PolarHBondContact O-N 2.88Å; S41-A74 WeakPolarHBondContact CB-O 3.23Å; S41-A74 PolarHBondContact N-O 3.13Å; S41-A74 PolarHBondContact OG-O 2.97Å; S41-E76 WeakPolarHBondContact CA-OE1 3.07Å
42R84.5Confident85.6Confident208 Ų20886.6 Ų86.679%0.78543%0.425SS*.Hα-helixtrans-56.6-36.8178.9-169.3176.4-177.7177.31112R46 E76R42-R46 WeakPolarHBondContact O-CB 3.42Å; R42-R46 PolarHBondContact O-N 2.75Å; R42-R46 VanDerWaalsContact O-N 3.08Å; R42-E76 PolarHBondContact N-OE1 2.9Å
43F84.8Confident85.1Confident87 Ų8791.6 Ų91.638%0.38244%0.438SS..Hα-helixtrans-61.8-53.6175-178.8-88000111.2S41 R45 R46 N47 K66 N72S41-F43 PolarHBondContact O-N 3.37Å; F43-R45 PolarHBondContact O-N 2.81Å; F43-R46 PolarHBondContact O-N 2.76Å; F43-N47 VanDerWaalsContact CD1-ND2 3.32Å; F43-N47 WeakPolarHBondContact CD1-ND2 3.26Å; F43-N47 WeakPolarHBondContact CE1-ND2 3.13Å; F43-N47 WeakPolarHBondContact CE2-ND2 3.32Å; F43-N47 WeakPolarHBondContact CZ-ND2 3.42Å; F43-N47 PolarHBondContact O-N 3.39Å; F43-N47 PolarHBondContact O-ND2 3.45Å; F43-K66 HydrophobicContact CZ-CB 4.31Å; F43-N72 HydrophobicContact CD1-CB 3.66Å; F43-N72 HydrophobicContact CE1-CB 3.45Å; F43-N72 VanDerWaalsContact CE1-CB 3.45Å; F43-N72 VanDerWaalsContact CE1-ND2 3.29Å; F43-N72 WeakPolarHBondContact CE1-ND2 3.41Å; F43-N72 WeakPolarHBondContact CE1-OD1 3.37Å
44L85.7Confident84.7Confident2 Ų291 Ų911%0.0144%0.436CS..Hα-helixtrans-59.4-49.3-179.2-176.657.1000111.3L40 S41 R46 N47 L48 L67 N72 W73L40-L44 HydrophobicContact CB-CD2 4.12Å; L40-L44 HydrophobicContact CD1-CD2 4.12Å; L40-L44 HydrophobicContact CD1-CG 4.48Å; L40-L44 HydrophobicContact CD2-CD2 3.88Å; L40-L44 HydrophobicContact CG-CD2 4.25Å; S41-L44 PolarHBondContact O-N 3.4Å; S41-L44 VanDerWaalsContact O-N 3.13Å; S41-L44 WeakPolarHBondContact OG-CB 3.28Å; S41-L44 PolarHBondContact OG-N 2.9Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.22Å; L44-N47 PolarHBondContact O-N 3.39Å; L44-L48 HydrophobicContact CD1-CD1 4.03Å; L44-L48 HydrophobicContact CD1-CG 4.06Å; L44-L48 HydrophobicContact CG-CD1 3.88Å; L44-L48 HydrophobicContact CG-CG 4.33Å; L44-L48 WeakPolarHBondContact O-CG 3.39Å; L44-L48 PolarHBondContact O-N 3.46Å; L44-L67 HydrophobicContact CD1-CD2 3.83Å; L44-N72 WeakPolarHBondContact CB-O 3.4Å; L44-W73 HydrophobicContact CD1-CD2 4.4Å; L44-W73 HydrophobicContact CD2-CE3 4.25Å
45R86.1Confident84.3Confident115 Ų11595.2 Ų95.243%0.43444%0.442SS..Hα-helixtrans-57.9-44.5-179.1-167.6-176.8-49.3175.39.5112L40 S41 F43 L49L40-R45 PolarHBondContact O-NH2 2.76Å; S41-R45 WeakPolarHBondContact O-CB 3.14Å; S41-R45 PolarHBondContact O-N 2.88Å; F43-R45 PolarHBondContact O-N 2.81Å; R45-L49 HydrophobicContact CG-CD1 4.43Å; R45-L49 VanDerWaalsContact O-CG 3.32Å; R45-L49 WeakPolarHBondContact O-CG 3.28Å; R45-L49 PolarHBondContact O-N 2.8Å
46R87.3Confident84Confident176 Ų17692.3 Ų92.366%0.66443%0.429SS*.Hα-helixtrans-63.2-48.3177.4-179.5179.2171.1-179.41111.4R42 F43 L44 L48 L49 D50R42-R46 WeakPolarHBondContact O-CB 3.42Å; R42-R46 PolarHBondContact O-N 2.75Å; R42-R46 VanDerWaalsContact O-N 3.08Å; F43-R46 PolarHBondContact O-N 2.76Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.22Å; R46-L48 VanDerWaalsContact C-N 3.33Å; R46-L48 PolarHBondContact O-N 2.98Å; R46-L49 PolarHBondContact O-N 3.38Å; R46-D50 IonicContact NE-OD2 3.54Å; R46-D50 WeakPolarHBondContact O-CB 3.35Å; R46-D50 PolarHBondContact O-N 3.2Å
47N85Confident83.7Confident11 Ų1196.8 Ų96.86%0.05945%0.45CS..Hα-helixtrans-65.9-34.9-178.8-72.9-77.7000112.4F43 L44 D50 A51 K66 L67F43-N47 VanDerWaalsContact CD1-ND2 3.32Å; F43-N47 WeakPolarHBondContact CD1-ND2 3.26Å; F43-N47 WeakPolarHBondContact CE1-ND2 3.13Å; F43-N47 WeakPolarHBondContact CE2-ND2 3.32Å; F43-N47 WeakPolarHBondContact CZ-ND2 3.42Å; F43-N47 PolarHBondContact O-N 3.39Å; F43-N47 PolarHBondContact O-ND2 3.45Å; L44-N47 PolarHBondContact O-N 3.39Å; N47-D50 PolarHBondContact O-N 2.93Å; N47-A51 WeakPolarHBondContact O-CB 3.49Å; N47-A51 PolarHBondContact O-N 3.25Å; N47-K66 WeakPolarHBondContact OD1-CD 3.4Å; N47-L67 HydrophobicContact CB-CD2 4.03Å
48L85.5Confident83.7Confident66 Ų6697.3 Ų97.335%0.34646%0.456SS..Hα-helixtrans-66.8-39.1173.4-70.2175.1000112.4L40 L44 R46 A51L40-L48 HydrophobicContact CD1-CD1 4.02Å; L44-L48 HydrophobicContact CD1-CD1 4.03Å; L44-L48 HydrophobicContact CD1-CG 4.06Å; L44-L48 HydrophobicContact CG-CD1 3.88Å; L44-L48 HydrophobicContact CG-CG 4.33Å; L44-L48 WeakPolarHBondContact O-CG 3.39Å; L44-L48 PolarHBondContact O-N 3.46Å; R46-L48 VanDerWaalsContact C-N 3.33Å; R46-L48 PolarHBondContact O-N 2.98Å; L48-A51 WeakPolarHBondContact O-CB 3.42Å; L48-A51 PolarHBondContact O-N 3.13Å
49L86.7Confident83.7Confident107 Ų10797 Ų9756%0.5645%0.452SS*.Hα-helixtrans-67.5-41174.1-72.1171.8000111.9R45 R46 A51 N52R45-L49 HydrophobicContact CG-CD1 4.43Å; R45-L49 VanDerWaalsContact O-CG 3.32Å; R45-L49 WeakPolarHBondContact O-CG 3.28Å; R45-L49 PolarHBondContact O-N 2.8Å; R46-L49 PolarHBondContact O-N 3.38Å; L49-A51 VanDerWaalsContact C-N 3.28Å; L49-A51 PolarHBondContact O-N 2.71Å; L49-N52 PolarHBondContact O-N 3.45Å
50D86Confident83.5Confident58 Ų5896.3 Ų96.331%0.3145%0.449SS..Hα-helixtrans-66-32.9176.5-72.7-25.1000111R46 N47 N52 R53 V54R46-D50 IonicContact NE-OD2 3.54Å; R46-D50 WeakPolarHBondContact O-CB 3.35Å; R46-D50 PolarHBondContact O-N 3.2Å; N47-D50 PolarHBondContact O-N 2.93Å; D50-N52 VanDerWaalsContact C-N 3.26Å; D50-N52 PolarHBondContact O-N 2.98Å; D50-R53 WeakPolarHBondContact O-CB 3.05Å; D50-R53 PolarHBondContact O-N 3.45Å; D50-V54 PolarHBondContact O-N 2.87Å
51A83.5Confident83.5Confident23 Ų2398.4 Ų98.419%0.1946%0.459CS..Hα-helixtrans-57.1-37.5176.300000113.5N47 L48 L49 R53 V54 M63N47-A51 WeakPolarHBondContact O-CB 3.49Å; N47-A51 PolarHBondContact O-N 3.25Å; L48-A51 WeakPolarHBondContact O-CB 3.42Å; L48-A51 PolarHBondContact O-N 3.13Å; L49-A51 VanDerWaalsContact C-N 3.28Å; L49-A51 PolarHBondContact O-N 2.71Å; A51-R53 PolarHBondContact O-N 2.95Å; A51-V54 PolarHBondContact O-N 3.27Å; A51-M63 WeakPolarHBondContact CA-SD 3.38Å; A51-M63 HydrophobicContact CB-CE 3.75Å; A51-M63 HydrophobicContact CB-CG 4.28Å; A51-M63 HydrophobicContact CB-SD 3.18Å; A51-M63 WeakPolarHBondContact CB-SD 3.34Å
52N82.4Confident83.3Confident143 Ų143100.9 Ų100.977%0.76548%0.475SS*.THydrogen-bonded Turntrans-67.7-18177.1-72.6-23.3000113.3L49 D50L49-N52 PolarHBondContact O-N 3.45Å; D50-N52 VanDerWaalsContact C-N 3.26Å; D50-N52 PolarHBondContact O-N 2.98Å
53R83.8Confident83.1Confident195 Ų19592.6 Ų92.674%0.73645%0.445SS*.THydrogen-bonded Turntrans-90.9-14.2178.7-62.7179.2173.4-179-4113.1D50 A51 K55D50-R53 WeakPolarHBondContact O-CB 3.05Å; D50-R53 PolarHBondContact O-N 3.45Å; A51-R53 PolarHBondContact O-N 2.95Å; R53-K55 PolarHBondContact O-N 3.47Å
54V82.5Confident82.9Confident26 Ų2693.3 Ų93.316%0.15845%0.452CS..  trans-76.4116.3-174.9170.70000110.8D50 A51 Q59 R60 M63D50-V54 PolarHBondContact O-N 2.87Å; A51-V54 PolarHBondContact O-N 3.27Å; V54-Q59 HydrophobicContact CB-CB 4.37Å; V54-Q59 HydrophobicContact CG1-CB 3.46Å; V54-Q59 VanDerWaalsContact CG1-CB 3.46Å; V54-Q59 HydrophobicContact CG2-CB 4.24Å; V54-R60 HydrophobicContact CB-CG 4.48Å; V54-R60 HydrophobicContact CG1-CB 4.18Å; V54-R60 HydrophobicContact CG1-CG 3.32Å; V54-M63 HydrophobicContact CG2-SD 4.19Å
55K81Confident82.7Confident186 Ų18699 Ų9981%0.80948%0.482SS*.  trans-102.1-30.2-179.1-64.7-173-179.6-176.80113.7R53R53-K55 PolarHBondContact O-N 3.47Å
56T81.2Confident82.4Confident61 Ų6198.7 Ų98.737%0.37448%0.484SS..SBendtrans-104.1150.7-173.565.70000112.2S58 Q59 R60T56-S58 PolarHBondContact O-N 3.18Å; T56-S58 PolarHBondContact OG1-OG 3.08Å; T56-Q59 PolarHBondContact O-N 2.8Å; T56-Q59 VanDerWaalsContact O-N 3.12Å; T56-Q59 VanDerWaalsContact OG1-CD 3.32Å; T56-Q59 VanDerWaalsContact OG1-CG 3.26Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.33Å; T56-Q59 PolarHBondContact OG1-N 3.24Å; T56-R60 PolarHBondContact O-N 3.39Å; T56-R60 VanDerWaalsContact O-N 3.15Å
57L77Confident82Confident148 Ų14891.4 Ų91.478%0.77546%0.458SS*.Hα-helixtrans-57.2-37.9174.2-96.2122.6000112.6Q59 R60 M61L57-Q59 PolarHBondContact O-N 2.89Å; L57-R60 PolarHBondContact O-N 2.68Å; L57-R60 VanDerWaalsContact O-N 3.1Å; L57-M61 PolarHBondContact O-N 3.47Å
58S81.6Confident81.8Confident95 Ų9594.3 Ų94.366%0.66448%0.484SS*.Hα-helixtrans-60.7-31.2177.757.30000113.2T56 P62T56-S58 PolarHBondContact O-N 3.18Å; T56-S58 PolarHBondContact OG1-OG 3.08Å; S58-P62 WeakPolarHBondContact O-CD 3.18Å
59Q81.6Confident81.6Confident97 Ų9794.9 Ų94.945%0.45349%0.487SS..Hα-helixtrans-84.3-26.6176.4-72.8171.6-3.800112.4V54 T56 L57 P62V54-Q59 HydrophobicContact CB-CB 4.37Å; V54-Q59 HydrophobicContact CG1-CB 3.46Å; V54-Q59 VanDerWaalsContact CG1-CB 3.46Å; V54-Q59 HydrophobicContact CG2-CB 4.24Å; T56-Q59 PolarHBondContact O-N 2.8Å; T56-Q59 VanDerWaalsContact O-N 3.12Å; T56-Q59 VanDerWaalsContact OG1-CD 3.32Å; T56-Q59 VanDerWaalsContact OG1-CG 3.26Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.33Å; T56-Q59 PolarHBondContact OG1-N 3.24Å; L57-Q59 PolarHBondContact O-N 2.89Å; Q59-P62 WeakPolarHBondContact O-CD 3.49Å; Q59-P62 WeakPolarHBondContact O-CG 3.18Å
60R78.7Confident81.3Confident135 Ų13594.9 Ų94.951%0.50949%0.494SS..Hα-helixtrans-70.8-37.7179.3-71.4-173.1178.7173.3-0.3112.8V54 T56 L57 M63 L64V54-R60 HydrophobicContact CB-CG 4.48Å; V54-R60 HydrophobicContact CG1-CB 4.18Å; V54-R60 HydrophobicContact CG1-CG 3.32Å; T56-R60 PolarHBondContact O-N 3.39Å; T56-R60 VanDerWaalsContact O-N 3.15Å; L57-R60 PolarHBondContact O-N 2.68Å; L57-R60 VanDerWaalsContact O-N 3.1Å; R60-M63 WeakPolarHBondContact O-CB 3.41Å; R60-M63 PolarHBondContact O-N 2.82Å; R60-L64 WeakPolarHBondContact O-CG 3.41Å; R60-L64 PolarHBondContact O-N 2.95Å
61M83.5Confident80.9Confident117 Ų11798 Ų9858%0.57651%0.509SS*.Hα-helixtrans-58.1-53.3-177.6-169.664.472.800113.9L57 M63 L64 L65L57-M61 PolarHBondContact O-N 3.47Å; M61-M63 PolarHBondContact O-N 2.96Å; M61-L64 PolarHBondContact O-N 2.71Å; M61-L65 HydrophobicContact CG-CD1 4.44Å; M61-L65 WeakPolarHBondContact O-CG 3.26Å; M61-L65 PolarHBondContact O-N 2.54Å
62P81.8Confident80.6Confident63 Ų6398.3 Ų98.341%0.40951%0.508SS..Hα-helixtrans-64.5-28.9178.725.1-34.6000112.7S58 Q59 K66S58-P62 WeakPolarHBondContact O-CD 3.18Å; Q59-P62 WeakPolarHBondContact O-CD 3.49Å; Q59-P62 WeakPolarHBondContact O-CG 3.18Å; P62-K66 WeakPolarHBondContact O-CG 3.28Å; P62-K66 PolarHBondContact O-N 2.9Å; P62-K66 VanDerWaalsContact O-N 3.08Å
63M79.2Confident80.5Confident34 Ų3498.5 Ų98.517%0.16750%0.497CS..Hα-helixtrans-69.2-44.9175.3-177.3-15696.100111.7A51 V54 R60 M61 L65 K66 L67A51-M63 WeakPolarHBondContact CA-SD 3.38Å; A51-M63 HydrophobicContact CB-CE 3.75Å; A51-M63 HydrophobicContact CB-CG 4.28Å; A51-M63 HydrophobicContact CB-SD 3.18Å; A51-M63 WeakPolarHBondContact CB-SD 3.34Å; V54-M63 HydrophobicContact CG2-SD 4.19Å; R60-M63 WeakPolarHBondContact O-CB 3.41Å; R60-M63 PolarHBondContact O-N 2.82Å; M61-M63 PolarHBondContact O-N 2.96Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 PolarHBondContact O-N 2.95Å; M63-K66 WeakPolarHBondContact O-CB 3.44Å; M63-K66 PolarHBondContact O-N 3.47Å; M63-L67 HydrophobicContact CE-CD1 4.07Å; M63-L67 HydrophobicContact CG-CD1 4.29Å; M63-L67 WeakPolarHBondContact O-CG 3.45Å; M63-L67 PolarHBondContact O-N 3.18Å
64L80.2Confident80.2Confident101 Ų10191.4 Ų91.453%0.52948%0.481SS..Hα-helixtrans-60.5-42174.5-76168.3000111.2R60 M61 K66 L67 A68R60-L64 WeakPolarHBondContact O-CG 3.41Å; R60-L64 PolarHBondContact O-N 2.95Å; M61-L64 PolarHBondContact O-N 2.71Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.89Å; L64-L67 CarbonylContact O-C 3.59Å; L64-L67 PolarHBondContact O-N 3.43Å; L64-L67 VanDerWaalsContact O-N 3.17Å; L64-A68 WeakPolarHBondContact O-CB 3.33Å; L64-A68 PolarHBondContact O-N 2.83Å
65L83Confident80.1Confident121 Ų12194.3 Ų94.363%0.63450%0.495SS*.Hα-helixtrans-61.1-39.7175.3-72169.9000112.5M61 M63 A68M61-L65 HydrophobicContact CG-CD1 4.44Å; M61-L65 WeakPolarHBondContact O-CG 3.26Å; M61-L65 PolarHBondContact O-N 2.54Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 PolarHBondContact O-N 2.95Å; L65-A68 PolarHBondContact O-N 3.28Å
66K79.5Confident79.7Confident109 Ų10989.6 Ų89.647%0.47448%0.476SS..Hα-helixtrans-64.8-41.2173.7-74176.1-175.21790111.8F43 N47 P62 M63 L64 A68 N72F43-K66 HydrophobicContact CZ-CB 4.31Å; N47-K66 WeakPolarHBondContact OD1-CD 3.4Å; P62-K66 WeakPolarHBondContact O-CG 3.28Å; P62-K66 PolarHBondContact O-N 2.9Å; P62-K66 VanDerWaalsContact O-N 3.08Å; M63-K66 WeakPolarHBondContact O-CB 3.44Å; M63-K66 PolarHBondContact O-N 3.47Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.89Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-N72 PolarHBondContact O-ND2 3.39Å
67L79.2Confident79.1Confident23 Ų2393.5 Ų93.512%0.1249%0.488CS..Hα-helixtrans-78.4-15.4179.7-65.4173.2000113.1L44 N47 M63 L64 N69 W73L44-L67 HydrophobicContact CD1-CD2 3.83Å; N47-L67 HydrophobicContact CB-CD2 4.03Å; M63-L67 HydrophobicContact CE-CD1 4.07Å; M63-L67 HydrophobicContact CG-CD1 4.29Å; M63-L67 WeakPolarHBondContact O-CG 3.45Å; M63-L67 PolarHBondContact O-N 3.18Å; L64-L67 CarbonylContact O-C 3.59Å; L64-L67 PolarHBondContact O-N 3.43Å; L64-L67 VanDerWaalsContact O-N 3.17Å; L67-N69 VanDerWaalsContact C-N 3.31Å; L67-N69 PolarHBondContact O-N 3.26Å; L67-W73 PolarHBondContact O-NE1 2.91Å
68A81Confident78.6Confident73 Ų7389.8 Ų89.860%0.60347%0.473SS*.Hα-helixtrans-72.2-21.7-179.900000113.5L64 L65 K66 P70L64-A68 WeakPolarHBondContact O-CB 3.33Å; L64-A68 PolarHBondContact O-N 2.83Å; L65-A68 PolarHBondContact O-N 3.28Å; K66-A68 VanDerWaalsContact C-N 3.32Å; A68-P70 WeakPolarHBondContact O-CD 3.43Å
69N80.5Confident77.9Confident78 Ų7888.7 Ų88.742%0.41747%0.469SS..SBendtrans-78.6119179.3-172.7-20.1000110.7L67 I71 N72L67-N69 VanDerWaalsContact C-N 3.31Å; L67-N69 PolarHBondContact O-N 3.26Å; N69-I71 HydrophobicContact CB-CG2 4.5Å; N69-I71 PolarHBondContact O-N 3.24Å; N69-I71 VanDerWaalsContact O-N 3.11Å; N69-I71 VanDerWaalsContact OD1-CG2 3.26Å; N69-I71 WeakPolarHBondContact OD1-CG2 3.29Å; N69-I71 PolarHBondContact OD1-N 2.94Å; N69-N72 VanDerWaalsContact O-CB 3.31Å; N69-N72 WeakPolarHBondContact O-CB 3.43Å; N69-N72 PolarHBondContact O-N 3.5Å
70P79.6Confident77.4Confident107 Ų10788 Ų8870%0.69547%0.468SS*.G310 helixtrans-56.5-29.5-179.5-25.534.7000114A68 N72 W73A68-P70 WeakPolarHBondContact O-CD 3.43Å; P70-N72 PolarHBondContact O-N 3.47Å; P70-W73 WeakPolarHBondContact O-CB 3.45Å; P70-W73 PolarHBondContact O-N 2.98Å
71I78.1Confident77.3Confident123 Ų12384.5 Ų84.563%0.63146%0.461SS*.G310 helixtrans-62.5-27178-151.2167.8000112.1N69 W73 A74N69-I71 HydrophobicContact CB-CG2 4.5Å; N69-I71 PolarHBondContact O-N 3.24Å; N69-I71 VanDerWaalsContact O-N 3.11Å; N69-I71 VanDerWaalsContact OD1-CG2 3.26Å; N69-I71 WeakPolarHBondContact OD1-CG2 3.29Å; N69-I71 PolarHBondContact OD1-N 2.94Å; I71-W73 PolarHBondContact O-N 3.03Å; I71-A74 WeakPolarHBondContact O-CB 3.43Å; I71-A74 PolarHBondContact O-N 2.82Å
72N78Confident77Confident30 Ų3079.8 Ų79.816%0.1644%0.438CS..G310 helixtrans-77.7-7.7179.5-67.5-23.8000112.7F43 L44 K66 N69 P70 A74F43-N72 HydrophobicContact CD1-CB 3.66Å; F43-N72 HydrophobicContact CE1-CB 3.45Å; F43-N72 VanDerWaalsContact CE1-CB 3.45Å; F43-N72 VanDerWaalsContact CE1-ND2 3.29Å; F43-N72 WeakPolarHBondContact CE1-ND2 3.41Å; F43-N72 WeakPolarHBondContact CE1-OD1 3.37Å; L44-N72 WeakPolarHBondContact CB-O 3.4Å; K66-N72 PolarHBondContact O-ND2 3.39Å; N69-N72 VanDerWaalsContact O-CB 3.31Å; N69-N72 WeakPolarHBondContact O-CB 3.43Å; N69-N72 PolarHBondContact O-N 3.5Å; P70-N72 PolarHBondContact O-N 3.47Å; N72-A74 VanDerWaalsContact C-N 3.3Å
73W79.3Confident76.5Confident146 Ų14686 Ų8655%0.55346%0.459SS*.G310 helixtrans-92.411172-68.179.6000113L44 L67 P70 I71 L75L44-W73 HydrophobicContact CD1-CD2 4.4Å; L44-W73 HydrophobicContact CD2-CE3 4.25Å; L67-W73 PolarHBondContact O-NE1 2.91Å; P70-W73 WeakPolarHBondContact O-CB 3.45Å; P70-W73 PolarHBondContact O-N 2.98Å; I71-W73 PolarHBondContact O-N 3.03Å; W73-L75 PolarHBondContact O-N 2.92Å
74A77.7Confident76.4Confident47 Ų4787.9 Ų87.939%0.38848%0.475SS..  trans-55.7132.7177.700000111.7S41 I71 N72S41-A74 WeakPolarHBondContact CB-O 3.23Å; S41-A74 PolarHBondContact N-O 3.13Å; S41-A74 PolarHBondContact OG-O 2.97Å; I71-A74 WeakPolarHBondContact O-CB 3.43Å; I71-A74 PolarHBondContact O-N 2.82Å; N72-A74 VanDerWaalsContact C-N 3.3Å
75L79.5Confident76.3Confident86 Ų8684.5 Ų84.545%0.4546%0.46SS..EExtended strand (participates in β ladder)trans-83.6136.7168.7-60.9175.3000108.7I38 L40 W73 F77I38-L75 HydrophobicContact CG2-CB 4.08Å; I38-L75 HydrophobicContact CG2-CD1 4.2Å; I38-L75 HydrophobicContact CG2-CD2 4.33Å; I38-L75 HydrophobicContact CG2-CG 4.43Å; L40-L75 HydrophobicContact CD2-CD2 3.83Å; W73-L75 PolarHBondContact O-N 2.92Å; L75-F77 HydrophobicContact CB-CE2 4.14Å; L75-F77 HydrophobicContact CB-CZ 4.37Å; L75-F77 HydrophobicContact CD1-CZ 4.4Å
76E74.3Confident76.2Confident87 Ų8785 Ų8541%0.40746%0.464SS..EExtended strand (participates in β ladder)trans-92104.7168-81.4173.6-157.900107.7R39 S41 R42R39-E76 HydrophobicContact CB-CB 4.16Å; R39-E76 PolarHBondContact N-O 3.07Å; R39-E76 VanDerWaalsContact N-O 3.09Å; R39-E76 PolarHBondContact O-N 3.26Å; S41-E76 WeakPolarHBondContact CA-OE1 3.07Å; R42-E76 PolarHBondContact N-OE1 2.9Å
77F67.8Low76.3Confident143 Ų14382 Ų8263%0.62745%0.451SS*.  trans-73.9141.8170.6-67.1-83.6000109.8I38 L75 A79I38-F77 HydrophobicContact CD1-CE1 4.3Å; I38-F77 HydrophobicContact CG2-CE1 4.44Å; L75-F77 HydrophobicContact CB-CE2 4.14Å; L75-F77 HydrophobicContact CB-CZ 4.37Å; L75-F77 HydrophobicContact CD1-CZ 4.4Å; F77-A79 PolarHBondContact O-N 3.32Å; F77-A79 VanDerWaalsContact O-N 3.08Å
78P65.9Low76.7Confident71 Ų7183.6 Ų83.646%0.46146%0.462SS..  trans-60.9115.217326.7-34.1000109.4V36V36-P78 HydrophobicContact CB-CB 4.41Å; V36-P78 HydrophobicContact CB-CG 3.93Å; V36-P78 HydrophobicContact CG1-CB 3.45Å; V36-P78 VanDerWaalsContact CG1-CB 3.45Å; V36-P78 HydrophobicContact CG1-CG 3.46Å; V36-P78 VanDerWaalsContact CG1-CG 3.46Å
79A67.4Low77.1Confident71 Ų7181.3 Ų81.359%0.58744%0.439SS*.  trans-100.6131.317400000109.7F77 T81F77-A79 PolarHBondContact O-N 3.32Å; F77-A79 VanDerWaalsContact O-N 3.08Å; A79-T81 HydrophobicContact CB-CG2 4.29Å; A79-T81 PolarHBondContact O-N 2.88Å; A79-T81 VanDerWaalsContact O-N 3.08Å
80I71.8Confident77.6Confident83 Ų8377.7 Ų77.743%0.42642%0.42SS..  trans-86.554.9172.3-46.6175.5000108.7M89 L178I80-M89 HydrophobicContact CG2-CG 4.48Å; I80-L178 HydrophobicContact CD1-CD1 4.31Å; I80-L178 HydrophobicContact CD1-CD2 3.47Å; I80-L178 VanDerWaalsContact CD1-CD2 3.47Å
81T76.5Confident78.2Confident61 Ų6175.4 Ų75.437%0.37440%0.4SS..BIsolated β-bridgetrans-109.3139.9176.549.60000109.2A79 F83 E87 T88A79-T81 HydrophobicContact CB-CG2 4.29Å; A79-T81 PolarHBondContact O-N 2.88Å; A79-T81 VanDerWaalsContact O-N 3.08Å; T81-F83 PolarHBondContact O-N 3.27Å; T81-E87 WeakPolarHBondContact CA-O 3.44Å; T81-T88 HydrophobicContact CG2-CG2 3.83Å
82E76.3Confident78.9Confident19 Ų1969.9 Ų69.99%0.08937%0.372CS..  trans-61.9129.3169.6-136.3-51.214600109.1S84 S85 N86 E87 L218 G328E82-S84 VanDerWaalsContact C-N 3.33Å; E82-S84 PolarHBondContact O-N 2.97Å; E82-S84 WeakPolarHBondContact OE2-CA 3.26Å; E82-S84 WeakPolarHBondContact OE2-CB 3.42Å; E82-S84 PolarHBondContact OE2-N 2.95Å; E82-S84 PolarHBondContact OE2-OG 2.89Å; E82-S85 VanDerWaalsContact CB-OG 3.29Å; E82-S85 WeakPolarHBondContact CB-OG 3.44Å; E82-N86 VanDerWaalsContact O-CA 3.24Å; E82-N86 WeakPolarHBondContact O-CA 3.48Å; E82-N86 PolarHBondContact O-N 2.93Å; E82-E87 PolarHBondContact N-O 3.14Å; E82-L218 HydrophobicContact CB-CD1 4.49Å; E82-L218 HydrophobicContact CG-CD1 3.28Å; E82-G328 WeakPolarHBondContact OE1-CA 3.29Å; E82-G328 PolarHBondContact OE1-N 2.98Å
83F72.1Confident79.7Confident193 Ų19368.4 Ų68.485%0.84637%0.365SS*.THydrogen-bonded Turntrans-60-36.6179.3-178-98000114.5T81T81-F83 PolarHBondContact O-N 3.27Å
84S76Confident80.4Confident73 Ų7361.5 Ų61.551%0.5134%0.338SS..THydrogen-bonded Turntrans-86.8-35.9-174.161.40000113.6E82 P214E82-S84 VanDerWaalsContact C-N 3.33Å; E82-S84 PolarHBondContact O-N 2.97Å; E82-S84 WeakPolarHBondContact OE2-CA 3.26Å; E82-S84 WeakPolarHBondContact OE2-CB 3.42Å; E82-S84 PolarHBondContact OE2-N 2.95Å; E82-S84 PolarHBondContact OE2-OG 2.89Å; S84-P214 WeakPolarHBondContact OG-CB 3.45Å
85S78.5Confident81.1Confident31 Ų3162.1 Ų62.122%0.21733%0.331CS..THydrogen-bonded Turntrans-101.2-15.5-179.669.30000113.9E82 E87E82-S85 VanDerWaalsContact CB-OG 3.29Å; E82-S85 WeakPolarHBondContact CB-OG 3.44Å; S85-E87 PolarHBondContact O-N 3.28Å; S85-E87 VanDerWaalsContact O-N 3.11Å; S85-E87 PolarHBondContact OG-N 2.98Å
86N81Confident81.9Confident131 Ų13158.4 Ų58.470%0.70131%0.311SS*.  trans55.913.9-168-70.6-37.3000114.2E82E82-N86 VanDerWaalsContact O-CA 3.24Å; E82-N86 WeakPolarHBondContact O-CA 3.48Å; E82-N86 PolarHBondContact O-N 2.93Å
87E82.5Confident82.9Confident46 Ų4654.2 Ų54.222%0.21529%0.292CS..  trans-87.7147.3173.7-66-173.8167.700110.6T81 E82 S85 H91 S92 R95T81-E87 WeakPolarHBondContact CA-O 3.44Å; E82-E87 PolarHBondContact N-O 3.14Å; S85-E87 PolarHBondContact O-N 3.28Å; S85-E87 VanDerWaalsContact O-N 3.11Å; S85-E87 PolarHBondContact OG-N 2.98Å; E87-H91 HydrophobicContact CB-CB 4.49Å; E87-H91 IonicContact OE1-CD2 3.16Å; E87-H91 IonicContact OE2-CD2 3.44Å; E87-S92 PolarHBondContact OE2-OG 3.2Å; E87-R95 IonicContact OE1-CZ 3.69Å; E87-R95 IonicContact OE1-NE 3.8Å; E87-R95 IonicContact OE1-NH2 3.64Å; E87-R95 IonicContact OE2-CZ 3.88Å; E87-R95 IonicContact OE2-NE 2.65Å; E87-R95 IonicContact OE2-NH2 2.78Å; E87-R95 PolarHBondContact OE2-NH2 3.35Å
88T86.8Confident84.1Confident56 Ų5649.8 Ų49.834%0.34428%0.279SS..BIsolated β-bridgetrans-72.7149.9165.6610000109.7T81 G90 H91 S92T81-T88 HydrophobicContact CG2-CG2 3.83Å; T88-G90 PolarHBondContact O-N 3.45Å; T88-G90 VanDerWaalsContact O-N 3.15Å; T88-H91 WeakPolarHBondContact O-CB 3.36Å; T88-H91 PolarHBondContact O-N 3.22Å; T88-H91 WeakPolarHBondContact OG1-CB 3.44Å; T88-H91 PolarHBondContact OG1-N 2.9Å; T88-S92 PolarHBondContact O-N 2.99Å; T88-S92 VanDerWaalsContact O-N 3.16Å
89M90.3Very high85.5Confident26 Ų2650 Ų5013%0.12828%0.282CS..Hα-helixtrans-54.4-37.8-179.2-70.2-64.7-73.300113.1I80 S92 A93 L218 L219 F249 A327I80-M89 HydrophobicContact CG2-CG 4.48Å; M89-S92 PolarHBondContact O-N 3.36Å; M89-A93 WeakPolarHBondContact O-CB 3.28Å; M89-A93 PolarHBondContact O-N 3.39Å; M89-L218 HydrophobicContact CE-CD2 3.62Å; M89-L218 HydrophobicContact SD-CD2 3.79Å; M89-L219 HydrophobicContact CE-CD2 3.64Å; M89-F249 HydrophobicContact CB-CE2 4.27Å; M89-F249 HydrophobicContact CB-CZ 4.4Å; M89-A327 HydrophobicContact CE-CB 4.07Å; M89-A327 HydrophobicContact SD-CB 3.93Å
90G90.2Very high86.9Confident2 Ų248.5 Ų48.52%0.02126%0.262CS..Hα-helixtrans-72-29.2177.300000113.9T88 A93 D94 F163 F249T88-G90 PolarHBondContact O-N 3.45Å; T88-G90 VanDerWaalsContact O-N 3.15Å; G90-A93 PolarHBondContact O-N 2.81Å; G90-D94 WeakPolarHBondContact O-CB 3.47Å; G90-D94 PolarHBondContact O-N 3.17Å; G90-F163 VanDerWaalsContact C-CG 3.44Å; G90-F249 VanDerWaalsContact CA-CZ 3.44Å
91H91.9Very high88Confident59 Ų5951 Ų5127%0.27328%0.276SS..Hα-helixtrans-66.4-45173-164.996.9000111E87 T88 A93 D94 R95 R164E87-H91 HydrophobicContact CB-CB 4.49Å; E87-H91 IonicContact OE1-CD2 3.16Å; E87-H91 IonicContact OE2-CD2 3.44Å; T88-H91 WeakPolarHBondContact O-CB 3.36Å; T88-H91 PolarHBondContact O-N 3.22Å; T88-H91 WeakPolarHBondContact OG1-CB 3.44Å; T88-H91 PolarHBondContact OG1-N 2.9Å; H91-A93 VanDerWaalsContact C-N 3.33Å; H91-A93 PolarHBondContact O-N 3.13Å; H91-D94 PolarHBondContact O-N 3.08Å; H91-R95 PolarHBondContact O-N 3.44Å; H91-R164 WeakPolarHBondContact CE1-CG 3.18Å; H91-R164 VanDerWaalsContact ND1-CG 3.29Å; H91-R164 WeakPolarHBondContact ND1-CG 3.39Å
92S92.7Very high89.1Confident6 Ų648.3 Ų48.34%0.04226%0.26CS..Hα-helixtrans-65.7-36.1175.1-50.10000111.8E87 T88 M89 L96E87-S92 PolarHBondContact OE2-OG 3.2Å; T88-S92 PolarHBondContact O-N 2.99Å; T88-S92 VanDerWaalsContact O-N 3.16Å; M89-S92 PolarHBondContact O-N 3.36Å; S92-L96 VanDerWaalsContact O-CB 3.27Å; S92-L96 WeakPolarHBondContact O-CB 3.4Å; S92-L96 PolarHBondContact O-N 3.03Å
93A94.6Very high90.1Very high0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-63.2-41.2174.100000112.7M89 G90 H91 L96 A97 I170 L219 F249M89-A93 WeakPolarHBondContact O-CB 3.28Å; M89-A93 PolarHBondContact O-N 3.39Å; G90-A93 PolarHBondContact O-N 2.81Å; H91-A93 VanDerWaalsContact C-N 3.33Å; H91-A93 PolarHBondContact O-N 3.13Å; A93-L96 PolarHBondContact O-N 3Å; A93-A97 WeakPolarHBondContact O-CB 3.4Å; A93-A97 PolarHBondContact O-N 2.82Å; A93-I170 HydrophobicContact CB-CD1 4.3Å; A93-I170 HydrophobicContact CB-CG1 4.4Å; A93-L219 VanDerWaalsContact CA-CD1 3.41Å; A93-L219 HydrophobicContact CB-CD1 3.55Å; A93-F249 HydrophobicContact CB-CB 4.06Å; A93-F249 HydrophobicContact CB-CD1 4.19Å; A93-F249 HydrophobicContact CB-CD2 3.36Å; A93-F249 HydrophobicContact CB-CE2 3.82Å; A93-F249 HydrophobicContact CB-CG 3.6Å; A93-F249 HydrophobicContact CB-CZ 4.41Å
94D94.3Very high91.2Very high0 Ų043.1 Ų43.10%024%0.242CC..Hα-helixtrans-66.4-44.1178.7-167.1-76.7000112G90 H91 A97 S98 R164 G168 T169 I170G90-D94 WeakPolarHBondContact O-CB 3.47Å; G90-D94 PolarHBondContact O-N 3.17Å; H91-D94 PolarHBondContact O-N 3.08Å; D94-A97 PolarHBondContact O-N 2.85Å; D94-S98 PolarHBondContact O-N 3.14Å; D94-S98 PolarHBondContact O-OG 2.87Å; D94-R164 HydrophobicContact CB-CG 4.49Å; D94-R164 WeakPolarHBondContact OD1-CD 3.32Å; D94-R164 IonicContact OD1-CZ 2.67Å; D94-R164 IonicContact OD1-NE 3.11Å; D94-R164 IonicContact OD1-NH1 3.23Å; D94-R164 PolarHBondContact OD1-NH1 3.46Å; D94-G168 WeakPolarHBondContact OD1-CA 3.3Å; D94-G168 VanDerWaalsContact OD2-C 3.3Å; D94-G168 WeakPolarHBondContact OD2-CA 3.42Å; D94-T169 PolarHBondContact OD2-N 2.89Å; D94-I170 HydrophobicContact CB-CB 4.29Å; D94-I170 HydrophobicContact CB-CG1 3.73Å; D94-I170 PolarHBondContact OD2-N 3.25Å
95R93Very high92.3Very high61 Ų6147.8 Ų47.823%0.2325%0.248CC..Hα-helixtrans-64.4-41.5174.6-177.6167.453.784.77.7112E87 H91 S98 S99 K215 D216E87-R95 IonicContact OE1-CZ 3.69Å; E87-R95 IonicContact OE1-NE 3.8Å; E87-R95 IonicContact OE1-NH2 3.64Å; E87-R95 IonicContact OE2-CZ 3.88Å; E87-R95 IonicContact OE2-NE 2.65Å; E87-R95 IonicContact OE2-NH2 2.78Å; E87-R95 PolarHBondContact OE2-NH2 3.35Å; H91-R95 PolarHBondContact O-N 3.44Å; R95-S98 WeakPolarHBondContact O-CB 3.44Å; R95-S98 PolarHBondContact O-N 3.42Å; R95-S99 PolarHBondContact O-N 2.99Å; R95-K215 VanDerWaalsContact CZ-O 3.24Å; R95-K215 PolarHBondContact NH1-O 2.88Å; R95-K215 VanDerWaalsContact NH1-O 3.1Å; R95-K215 PolarHBondContact NH2-O 3.35Å; R95-D216 IonicContact CZ-OD1 3.87Å; R95-D216 IonicContact NH1-OD1 2.74Å; R95-D216 PolarHBondContact NH1-OD1 3.08Å
96L95.2Very high93.2Very high7 Ų749.2 Ų49.24%0.03725%0.251CS..Hα-helixtrans-61.7-44.9174.1178.368.6000111.4S92 A93 S98 S99 F100 L219 L220 A255S92-L96 VanDerWaalsContact O-CB 3.27Å; S92-L96 WeakPolarHBondContact O-CB 3.4Å; S92-L96 PolarHBondContact O-N 3.03Å; A93-L96 PolarHBondContact O-N 3Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 2.67Å; L96-S99 PolarHBondContact O-N 3.11Å; L96-S99 PolarHBondContact O-OG 2.65Å; L96-F100 HydrophobicContact CD1-CD2 3.65Å; L96-F100 HydrophobicContact CD1-CE2 3.53Å; L96-F100 HydrophobicContact CG-CD2 4.32Å; L96-F100 PolarHBondContact O-N 3.31Å; L96-L219 HydrophobicContact CD2-CB 3.57Å; L96-L220 HydrophobicContact CD1-CD1 4.03Å; L96-L220 HydrophobicContact CD1-CD2 3.9Å; L96-L220 HydrophobicContact CD1-CG 3.79Å; L96-L220 HydrophobicContact CD2-CD2 4.18Å; L96-L220 HydrophobicContact CD2-CG 4.31Å; L96-A255 HydrophobicContact CD1-CB 4.39Å; L96-A255 HydrophobicContact CD2-CB 3.93Å; L96-A255 HydrophobicContact CG-CB 3.79Å
97A96.1Very high94Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-58.7-44.1176.800000110.8A93 D94 F100 N101 V102A93-A97 WeakPolarHBondContact O-CB 3.4Å; A93-A97 PolarHBondContact O-N 2.82Å; D94-A97 PolarHBondContact O-N 2.85Å; A97-F100 PolarHBondContact O-N 2.84Å; A97-N101 PolarHBondContact O-N 3.49Å; A97-V102 HydrophobicContact CB-CB 4.1Å; A97-V102 PolarHBondContact O-N 3.43Å
98S94Very high94.8Very high50 Ų5040.8 Ų40.835%0.3521%0.208SC..Hα-helixtrans-61.8-43.2174.3-61.50000112.5D94 R95 L96 F100 N101D94-S98 PolarHBondContact O-N 3.14Å; D94-S98 PolarHBondContact O-OG 2.87Å; R95-S98 WeakPolarHBondContact O-CB 3.44Å; R95-S98 PolarHBondContact O-N 3.42Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 2.67Å; S98-F100 PolarHBondContact O-N 2.99Å; S98-N101 PolarHBondContact O-N 3.48Å
99S94.2Very high95.3Very high76 Ų7641.7 Ų41.753%0.53121%0.208SC..Hα-helixtrans-66.6-23.3-177.772.70000113.7R95 L96R95-S99 PolarHBondContact O-N 2.99Å; L96-S99 PolarHBondContact O-N 3.11Å; L96-S99 PolarHBondContact O-OG 2.65Å
100F96.5Very high95.7Very high38 Ų3841 Ų4117%0.16720%0.204CC..THydrogen-bonded Turntrans-101.812.1173.9-76.6-89.8000113.3L96 A97 S98 V102 L220 A255 K258 A259 F265L96-F100 HydrophobicContact CD1-CD2 3.65Å; L96-F100 HydrophobicContact CD1-CE2 3.53Å; L96-F100 HydrophobicContact CG-CD2 4.32Å; L96-F100 PolarHBondContact O-N 3.31Å; A97-F100 PolarHBondContact O-N 2.84Å; S98-F100 PolarHBondContact O-N 2.99Å; F100-V102 HydrophobicContact CB-CG2 4.04Å; F100-V102 PolarHBondContact O-N 3.21Å; F100-L220 HydrophobicContact CE2-CD1 3.92Å; F100-L220 HydrophobicContact CE2-CD2 3.99Å; F100-L220 HydrophobicContact CE2-CG 4.47Å; F100-L220 HydrophobicContact CZ-CD1 4.02Å; F100-L220 HydrophobicContact CZ-CD2 4.14Å; F100-A255 HydrophobicContact CB-CB 3.96Å; F100-A255 HydrophobicContact CD2-CB 3.9Å; F100-A255 HydrophobicContact CG-CB 3.99Å; F100-K258 HydrophobicContact CD1-CB 4.07Å; F100-K258 VanDerWaalsContact O-CD 3.27Å; F100-K258 WeakPolarHBondContact O-CD 3.46Å; F100-A259 HydrophobicContact CD1-CB 4.41Å; F100-A259 HydrophobicContact CE1-CB 3.56Å; F100-A259 HydrophobicContact CZ-CB 3.85Å; F100-F265 HydrophobicContact CE1-CD2 4.16Å; F100-F265 AromaticContact CZ-CD2 3.86Å; F100-F265 HydrophobicContact CZ-CD2 3.86Å; F100-F265 HydrophobicContact CZ-CE2 4.01Å
101N96.4Very high96.1Very high136 Ų13641 Ų4173%0.72720%0.203SC*.THydrogen-bonded Turntrans49.745.6-177.1-60.4-50.1000112.2A97 S98 S103 K258A97-N101 PolarHBondContact O-N 3.49Å; S98-N101 PolarHBondContact O-N 3.48Å; N101-S103 PolarHBondContact O-N 3.26Å; N101-K258 PolarHBondContact O-NZ 3.23Å
102V97.6Very high96.4Very high4 Ų441.9 Ų41.92%0.02421%0.207CC..  trans-85.2107.2173.3-174.40000108.3A97 F100 E106 Q107 I254 A255 K258A97-V102 HydrophobicContact CB-CB 4.1Å; A97-V102 PolarHBondContact O-N 3.43Å; F100-V102 HydrophobicContact CB-CG2 4.04Å; F100-V102 PolarHBondContact O-N 3.21Å; V102-E106 HydrophobicContact CG1-CB 4.29Å; V102-Q107 HydrophobicContact CG1-CG 3.69Å; V102-Q107 PolarHBondContact O-NE2 3.11Å; V102-Q107 VanDerWaalsContact O-NE2 3.15Å; V102-I254 HydrophobicContact CB-CG2 4.44Å; V102-I254 HydrophobicContact CG1-CB 3.84Å; V102-I254 HydrophobicContact CG1-CD1 3.94Å; V102-I254 HydrophobicContact CG1-CG2 3.69Å; V102-I254 HydrophobicContact CG2-CB 4.25Å; V102-I254 HydrophobicContact CG2-CG2 3.89Å; V102-A255 HydrophobicContact CG2-CB 4.21Å; V102-K258 HydrophobicContact CG2-CD 4.1Å
103S97.4Very high96.7Very high51 Ų5143.8 Ų43.836%0.35721%0.213SC..  trans-66.9155.9-178.8680000112N101 R105 E106 Q107N101-S103 PolarHBondContact O-N 3.26Å; S103-R105 PolarHBondContact O-N 3.15Å; S103-E106 WeakPolarHBondContact CB-OE2 3.17Å; S103-E106 PolarHBondContact N-OE2 2.81Å; S103-E106 PolarHBondContact O-N 3.21Å; S103-E106 WeakPolarHBondContact OG-CB 3.35Å; S103-E106 VanDerWaalsContact OG-CG 3.25Å; S103-E106 WeakPolarHBondContact OG-CG 3.4Å; S103-E106 PolarHBondContact OG-N 2.94Å; S103-E106 PolarHBondContact OG-OE2 2.96Å; S103-Q107 WeakPolarHBondContact O-CG 3.4Å; S103-Q107 PolarHBondContact O-N 2.87Å
104R97.2Very high96.9Very high53 Ų5343.8 Ų43.820%0.221%0.213CC..Hα-helixtrans-54.3-41.7172.3171.158.9-177.4-77.7-4.4112.1Q107 D108 L156 S157 L159 T169R104-Q107 PolarHBondContact O-N 2.75Å; R104-D108 IonicContact CZ-OD1 3.36Å; R104-D108 IonicContact CZ-OD2 3.97Å; R104-D108 IonicContact NE-OD1 2.81Å; R104-D108 PolarHBondContact NE-OD1 3.44Å; R104-D108 IonicContact NE-OD2 3.82Å; R104-D108 PolarHBondContact NE-OD2 2.87Å; R104-D108 IonicContact NH2-OD2 3.71Å; R104-D108 PolarHBondContact O-N 3.27Å; R104-L156 PolarHBondContact NH2-O 3.4Å; R104-S157 VanDerWaalsContact NH2-C 3.32Å; R104-S157 PolarHBondContact NH2-O 3.4Å; R104-L159 PolarHBondContact NH1-O 3.46Å; R104-L159 VanDerWaalsContact NH1-O 3.08Å; R104-L159 PolarHBondContact NH2-O 3.44Å; R104-T169 HydrophobicContact CB-CG2 4.48Å; R104-T169 VanDerWaalsContact CD-O 3.24Å; R104-T169 WeakPolarHBondContact CD-O 3.31Å
105R97.5Very high97.1Very high171 Ų17144.5 Ų44.565%0.64522%0.216SC*.Hα-helixtrans-62-47.7-179.9-179.8176.4172.4171.40.1111.9S103 Q107 D108 E109S103-R105 PolarHBondContact O-N 3.15Å; R105-Q107 PolarHBondContact O-N 3.01Å; R105-D108 PolarHBondContact O-N 3.28Å; R105-E109 HydrophobicContact CG-CG 4.3Å; R105-E109 WeakPolarHBondContact CG-OE1 3.47Å; R105-E109 IonicContact CZ-OE1 2.82Å; R105-E109 IonicContact NE-OE1 3.97Å; R105-E109 PolarHBondContact NE-OE1 3.29Å; R105-E109 IonicContact NH2-OE1 2.87Å; R105-E109 PolarHBondContact NH2-OE1 3.2Å; R105-E109 WeakPolarHBondContact O-CB 3.35Å; R105-E109 WeakPolarHBondContact O-CG 3.41Å; R105-E109 PolarHBondContact O-N 2.69Å
106E98Very high97.3Very high61 Ų6143.9 Ų43.929%0.28522%0.219SC..Hα-helixtrans-57.4-39.3176.3-74.9166.1109.600111.6V102 S103 F110 I254 K258V102-E106 HydrophobicContact CG1-CB 4.29Å; S103-E106 WeakPolarHBondContact CB-OE2 3.17Å; S103-E106 PolarHBondContact N-OE2 2.81Å; S103-E106 PolarHBondContact O-N 3.21Å; S103-E106 WeakPolarHBondContact OG-CB 3.35Å; S103-E106 VanDerWaalsContact OG-CG 3.25Å; S103-E106 WeakPolarHBondContact OG-CG 3.4Å; S103-E106 PolarHBondContact OG-N 2.94Å; S103-E106 PolarHBondContact OG-OE2 2.96Å; E106-F110 WeakPolarHBondContact O-CB 3.47Å; E106-F110 PolarHBondContact O-N 3.05Å; E106-I254 HydrophobicContact CB-CD1 4.13Å; E106-I254 WeakPolarHBondContact O-CD1 3.28Å; E106-K258 VanDerWaalsContact OE1-CE 3.25Å; E106-K258 WeakPolarHBondContact OE1-CE 3.4Å; E106-K258 IonicContact OE1-NZ 3.85Å; E106-K258 PolarHBondContact OE1-NZ 3.32Å; E106-K258 IonicContact OE2-NZ 3.63Å; E106-K258 PolarHBondContact OE2-NZ 3.1Å
107Q98.4Very high97.5Very high0 Ų045.4 Ų45.40%023%0.227CC..Hα-helixtrans-67.7-44.6179.1-63.3177.14600112.3V102 S103 R104 R105 F110 A111 T169 N174 A250 I254V102-Q107 HydrophobicContact CG1-CG 3.69Å; V102-Q107 PolarHBondContact O-NE2 3.11Å; V102-Q107 VanDerWaalsContact O-NE2 3.15Å; S103-Q107 WeakPolarHBondContact O-CG 3.4Å; S103-Q107 PolarHBondContact O-N 2.87Å; R104-Q107 PolarHBondContact O-N 2.75Å; R105-Q107 PolarHBondContact O-N 3.01Å; Q107-F110 PolarHBondContact O-N 2.92Å; Q107-A111 WeakPolarHBondContact O-CB 3.35Å; Q107-A111 PolarHBondContact O-N 3.4Å; Q107-T169 PolarHBondContact NE2-OG1 2.86Å; Q107-T169 PolarHBondContact OE1-O 2.95Å; Q107-N174 HydrophobicContact CB-CB 4.24Å; Q107-A250 HydrophobicContact CB-CB 3.99Å; Q107-A250 HydrophobicContact CG-CB 4.47Å; Q107-A250 VanDerWaalsContact O-CB 3.3Å; Q107-A250 WeakPolarHBondContact O-CB 3.37Å; Q107-I254 HydrophobicContact CG-CD1 4.42Å
108D98.3Very high97.6Very high0 Ų045.4 Ų45.40%023%0.227CC..Hα-helixtrans-68.4-39.2179-67-12.1000111.6R104 R105 F110 A111 F112 L153 L156 S157 N174R104-D108 IonicContact CZ-OD1 3.36Å; R104-D108 IonicContact CZ-OD2 3.97Å; R104-D108 IonicContact NE-OD1 2.81Å; R104-D108 PolarHBondContact NE-OD1 3.44Å; R104-D108 IonicContact NE-OD2 3.82Å; R104-D108 PolarHBondContact NE-OD2 2.87Å; R104-D108 IonicContact NH2-OD2 3.71Å; R104-D108 PolarHBondContact O-N 3.27Å; R105-D108 PolarHBondContact O-N 3.28Å; D108-F110 VanDerWaalsContact C-N 3.35Å; D108-A111 PolarHBondContact O-N 3.23Å; D108-F112 WeakPolarHBondContact O-CB 3.28Å; D108-F112 PolarHBondContact O-N 2.81Å; D108-L153 HydrophobicContact CB-CD1 4.12Å; D108-L156 HydrophobicContact CB-CB 4.09Å; D108-S157 WeakPolarHBondContact OD2-CA 3.41Å; D108-S157 PolarHBondContact OD2-N 3.42Å; D108-S157 PolarHBondContact OD2-OG 3.17Å; D108-N174 PolarHBondContact OD1-ND2 3.27Å
109E98.2Very high97.8Very high74 Ų7444.3 Ų44.335%0.34622%0.217SC..Hα-helixtrans-62.6-41.6174.7-74.9175.2175.200111.3R105 R113 L153R105-E109 HydrophobicContact CG-CG 4.3Å; R105-E109 WeakPolarHBondContact CG-OE1 3.47Å; R105-E109 IonicContact CZ-OE1 2.82Å; R105-E109 IonicContact NE-OE1 3.97Å; R105-E109 PolarHBondContact NE-OE1 3.29Å; R105-E109 IonicContact NH2-OE1 2.87Å; R105-E109 PolarHBondContact NH2-OE1 3.2Å; R105-E109 WeakPolarHBondContact O-CB 3.35Å; R105-E109 WeakPolarHBondContact O-CG 3.41Å; R105-E109 PolarHBondContact O-N 2.69Å; E109-R113 WeakPolarHBondContact O-CB 3.4Å; E109-R113 PolarHBondContact O-N 2.76Å; E109-L153 HydrophobicContact CB-CD1 4.4Å; E109-L153 HydrophobicContact CG-CD1 3.83Å; E109-L153 HydrophobicContact CG-CD2 3.97Å
110F98.4Very high98Very high13 Ų1346.6 Ų46.66%0.05722%0.218CC..Hα-helixtrans-66.5-42.1175.3-173.1-85.6000112.3E106 Q107 D108 R113 S114 E247 A250 L253 I254 I281E106-F110 WeakPolarHBondContact O-CB 3.47Å; E106-F110 PolarHBondContact O-N 3.05Å; Q107-F110 PolarHBondContact O-N 2.92Å; D108-F110 VanDerWaalsContact C-N 3.35Å; F110-R113 WeakPolarHBondContact O-CB 3.12Å; F110-R113 PolarHBondContact O-N 2.76Å; F110-S114 PolarHBondContact O-N 3.38Å; F110-E247 HydrophobicContact CE1-CG 4.2Å; F110-E247 HydrophobicContact CZ-CG 4.47Å; F110-E247 WeakPolarHBondContact CZ-OE1 3.45Å; F110-A250 HydrophobicContact CB-CB 4.27Å; F110-A250 HydrophobicContact CD1-CB 3.96Å; F110-A250 HydrophobicContact CG-CB 4.5Å; F110-L253 HydrophobicContact CD1-CD2 4.22Å; F110-L253 HydrophobicContact CD2-CD2 4.14Å; F110-L253 HydrophobicContact CE1-CD2 3.43Å; F110-L253 VanDerWaalsContact CE1-CD2 3.43Å; F110-L253 HydrophobicContact CE2-CD2 3.32Å; F110-L253 HydrophobicContact CZ-CD2 2.93Å; F110-L253 HydrophobicContact CZ-CG 4.4Å; F110-I254 HydrophobicContact CB-CD1 3.85Å; F110-I254 HydrophobicContact CB-CG1 4.42Å; F110-I254 HydrophobicContact CG-CD1 4.35Å; F110-I254 HydrophobicContact CG-CG1 4.42Å; F110-I281 HydrophobicContact CD2-CD1 4.43Å; F110-I281 HydrophobicContact CE2-CD1 4.08Å
111A98.4Very high98.1Very high0 Ų045 Ų450%021%0.212CC..Hα-helixtrans-62.1-45176.600000111.8Q107 D108 R113 S114 H115 G173 N174 L291Q107-A111 WeakPolarHBondContact O-CB 3.35Å; Q107-A111 PolarHBondContact O-N 3.4Å; D108-A111 PolarHBondContact O-N 3.23Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.42Å; A111-S114 PolarHBondContact O-N 3.27Å; A111-H115 PolarHBondContact O-CD2 3.2Å; A111-H115 VanDerWaalsContact O-CD2 3.3Å; A111-H115 PolarHBondContact O-N 2.92Å; A111-G173 WeakPolarHBondContact CB-O 3.49Å; A111-N174 HydrophobicContact CB-CB 3.81Å; A111-L291 HydrophobicContact CB-CD1 4.2Å; A111-L291 HydrophobicContact CB-CD2 3.94Å
112F98.3Very high98.1Very high78 Ų7841.6 Ų41.634%0.34219%0.19SC..Hα-helixtrans-55.7-47.4172.9176.1-100.9000111.6D108 T116 V150 S151 L153 L156D108-F112 WeakPolarHBondContact O-CB 3.28Å; D108-F112 PolarHBondContact O-N 2.81Å; F112-T116 VanDerWaalsContact O-CB 3.3Å; F112-T116 WeakPolarHBondContact O-CB 3.46Å; F112-T116 PolarHBondContact O-N 2.84Å; F112-T116 PolarHBondContact O-OG1 3.45Å; F112-V150 HydrophobicContact CE2-CG1 4.12Å; F112-S151 WeakPolarHBondContact CD2-O 3.26Å; F112-S151 WeakPolarHBondContact CE2-O 3.5Å; F112-L153 HydrophobicContact CB-CD1 4.18Å; F112-L156 HydrophobicContact CB-CD1 3.86Å
113R98.4Very high98.1Very high47 Ų4748.2 Ų48.218%0.17722%0.219CC..Hα-helixtrans-57.6-51175.9177.3-171.3174.5-76.5-2.1111.3E109 F110 A111 H115 T116 L117 I281 L284E109-R113 WeakPolarHBondContact O-CB 3.4Å; E109-R113 PolarHBondContact O-N 2.76Å; F110-R113 WeakPolarHBondContact O-CB 3.12Å; F110-R113 PolarHBondContact O-N 2.76Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.42Å; R113-H115 PolarHBondContact O-N 2.96Å; R113-T116 PolarHBondContact O-N 2.96Å; R113-L117 HydrophobicContact CG-CD1 3.68Å; R113-L117 HydrophobicContact CG-CG 4.24Å; R113-L117 WeakPolarHBondContact O-CB 3.39Å; R113-L117 VanDerWaalsContact O-CG 3.3Å; R113-L117 WeakPolarHBondContact O-CG 3.38Å; R113-L117 PolarHBondContact O-N 2.63Å; R113-I281 PolarHBondContact NH2-O 2.88Å; R113-L284 PolarHBondContact NH1-O 2.94Å; R113-L284 PolarHBondContact NH2-O 2.85Å
114S98.5Very high98.1Very high0 Ų050.4 Ų50.40%023%0.227CC..Hα-helixtrans-59.6-47.8-177.2-175.40000111.4F110 A111 T116 L117 A118 E247 G289 S292F110-S114 PolarHBondContact O-N 3.38Å; A111-S114 PolarHBondContact O-N 3.27Å; S114-T116 PolarHBondContact O-N 2.85Å; S114-L117 PolarHBondContact O-N 3.31Å; S114-A118 WeakPolarHBondContact O-CB 3.25Å; S114-A118 PolarHBondContact O-N 2.75Å; S114-E247 PolarHBondContact OG-OE1 3.22Å; S114-E247 PolarHBondContact OG-OE2 2.91Å; S114-G289 PolarHBondContact OG-N 3.44Å; S114-S292 WeakPolarHBondContact O-CB 3.49Å; S114-S292 PolarHBondContact O-OG 3.49Å; S114-S292 WeakPolarHBondContact OG-CB 3.36Å; S114-S292 PolarHBondContact OG-OG 3.48Å
115H98.5Very high98Very high14 Ų1450.3 Ų50.37%0.06524%0.242CC..Hα-helixtrans-64-41.4177-76.7-70.4000113.1A111 R113 A118 D119 G147 R149 V150 S292A111-H115 PolarHBondContact O-CD2 3.2Å; A111-H115 VanDerWaalsContact O-CD2 3.3Å; A111-H115 PolarHBondContact O-N 2.92Å; R113-H115 PolarHBondContact O-N 2.96Å; H115-A118 PolarHBondContact O-N 3.39Å; H115-D119 WeakPolarHBondContact O-CB 3.45Å; H115-D119 PolarHBondContact O-N 3.14Å; H115-G147 PolarHBondContact CE1-O 3.47Å; H115-G147 PolarHBondContact ND1-O 3.46Å; H115-R149 PolarHBondContact ND1-N 3.3Å; H115-V150 HydrophobicContact CB-CG2 4.37Å; H115-S292 WeakPolarHBondContact ND1-CB 3.43Å
116T98.4Very high98Very high48 Ų4845 Ų4529%0.29422%0.224SC..Hα-helixtrans-65.3-42.4179.5-58.40000111.6F112 R113 S114 D119 K120F112-T116 VanDerWaalsContact O-CB 3.3Å; F112-T116 WeakPolarHBondContact O-CB 3.46Å; F112-T116 PolarHBondContact O-N 2.84Å; F112-T116 PolarHBondContact O-OG1 3.45Å; R113-T116 PolarHBondContact O-N 2.96Å; S114-T116 PolarHBondContact O-N 2.85Å; T116-D119 PolarHBondContact O-N 3.3Å; T116-K120 WeakPolarHBondContact O-CB 3.48Å; T116-K120 PolarHBondContact O-N 3.12Å
117L98.5Very high97.9Very high39 Ų3942.8 Ų42.820%0.20421%0.214CC..Hα-helixtrans-69.7-38.6177.9-68.9178.1000112.2R113 S114 K120 A121R113-L117 HydrophobicContact CG-CD1 3.68Å; R113-L117 HydrophobicContact CG-CG 4.24Å; R113-L117 WeakPolarHBondContact O-CB 3.39Å; R113-L117 VanDerWaalsContact O-CG 3.3Å; R113-L117 WeakPolarHBondContact O-CG 3.38Å; R113-L117 PolarHBondContact O-N 2.63Å; S114-L117 PolarHBondContact O-N 3.31Å; L117-K120 PolarHBondContact O-N 2.91Å; L117-A121 VanDerWaalsContact O-CB 3.28Å; L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 3.15Å
118A98.4Very high97.7Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-60.6-46172.800000111.8S114 H115 K120 A121 F122 I148 L293S114-A118 WeakPolarHBondContact O-CB 3.25Å; S114-A118 PolarHBondContact O-N 2.75Å; H115-A118 PolarHBondContact O-N 3.39Å; A118-K120 PolarHBondContact O-N 3.03Å; A118-A121 PolarHBondContact O-N 3.33Å; A118-F122 WeakPolarHBondContact O-CB 3.45Å; A118-F122 PolarHBondContact O-N 2.83Å; A118-I148 HydrophobicContact CB-CD1 4.21Å; A118-I148 HydrophobicContact CB-CG1 4.01Å; A118-I148 HydrophobicContact CB-CG2 4.35Å; A118-L293 HydrophobicContact CB-CD2 3.78Å; A118-L293 HydrophobicContact CB-CG 4.38Å
119D98.2Very high97.4Very high27 Ų2749.3 Ų49.314%0.14425%0.252CS..Hα-helixtrans-63.8-41.9178.1-173.264.6000112H115 T116 F122 K123 K144 I148 V150H115-D119 WeakPolarHBondContact O-CB 3.45Å; H115-D119 PolarHBondContact O-N 3.14Å; T116-D119 PolarHBondContact O-N 3.3Å; D119-F122 PolarHBondContact O-N 3.38Å; D119-K123 WeakPolarHBondContact O-CB 3.39Å; D119-K123 VanDerWaalsContact O-CG 3.32Å; D119-K123 WeakPolarHBondContact O-CG 3.44Å; D119-K123 PolarHBondContact O-N 3.14Å; D119-K123 IonicContact OD1-NZ 3.59Å; D119-K123 WeakPolarHBondContact OD2-CE 3.35Å; D119-K123 IonicContact OD2-NZ 3.97Å; D119-K123 PolarHBondContact OD2-NZ 3.23Å; D119-K144 IonicContact OD1-NZ 3.71Å; D119-I148 VanDerWaalsContact CA-CG2 3.48Å; D119-I148 HydrophobicContact CB-CG2 3.52Å; D119-V150 HydrophobicContact CB-CG2 3.67Å
120K98.3Very high97.2Very high125 Ų12548.2 Ų48.254%0.54325%0.248SC..Hα-helixtrans-63.4-44.5174.2-174.7178.2-179.9-179.60111.9T116 L117 A118 K123 N124T116-K120 WeakPolarHBondContact O-CB 3.48Å; T116-K120 PolarHBondContact O-N 3.12Å; L117-K120 PolarHBondContact O-N 2.91Å; A118-K120 PolarHBondContact O-N 3.03Å; K120-K123 PolarHBondContact O-N 3.41Å; K120-N124 VanDerWaalsContact O-CB 3.28Å; K120-N124 WeakPolarHBondContact O-CB 3.37Å; K120-N124 PolarHBondContact O-N 3.06Å
121A98.1Very high96.9Very high4 Ų454.3 Ų54.33%0.03328%0.28CS..Hα-helixtrans-63.4-42.1178.400000111.7L117 A118 N124 G125 K126 L127 W287L117-A121 VanDerWaalsContact O-CB 3.28Å; L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 3.15Å; A118-A121 PolarHBondContact O-N 3.33Å; A121-N124 PolarHBondContact O-N 3.25Å; A121-G125 PolarHBondContact O-N 3.28Å; A121-K126 HydrophobicContact CB-CB 4.22Å; A121-K126 PolarHBondContact O-N 3.25Å; A121-L127 HydrophobicContact CB-CD2 3.9Å; A121-L127 HydrophobicContact CB-CG 4.2Å; A121-W287 HydrophobicContact CB-CB 3.76Å; A121-W287 HydrophobicContact CB-CG 4.12Å
122F97.1Very high96.6Very high64 Ų6460.8 Ų60.828%0.28131%0.31SS..Hα-helixtrans-60.9-52.5174.3177.8-100.4000111.7A118 D119 N124 G125 L127 V143 K144 I148A118-F122 WeakPolarHBondContact O-CB 3.45Å; A118-F122 PolarHBondContact O-N 2.83Å; D119-F122 PolarHBondContact O-N 3.38Å; F122-N124 PolarHBondContact O-N 2.95Å; F122-G125 PolarHBondContact O-N 3.38Å; F122-L127 HydrophobicContact CB-CD1 3.96Å; F122-L127 HydrophobicContact CD2-CD1 4.38Å; F122-V143 WeakPolarHBondContact CE2-O 3.46Å; F122-K144 HydrophobicContact CD1-CD 3.99Å; F122-K144 HydrophobicContact CD1-CG 4.29Å; F122-K144 HydrophobicContact CD2-CG 4.02Å; F122-K144 HydrophobicContact CE1-CB 4.4Å; F122-K144 HydrophobicContact CE1-CD 3.58Å; F122-K144 HydrophobicContact CE1-CG 3.93Å; F122-K144 HydrophobicContact CE2-CB 3.73Å; F122-K144 HydrophobicContact CE2-CD 4.24Å; F122-K144 HydrophobicContact CE2-CG 3.62Å; F122-K144 HydrophobicContact CG-CD 4.48Å; F122-K144 HydrophobicContact CG-CG 4.34Å; F122-K144 HydrophobicContact CZ-CB 3.64Å; F122-K144 HydrophobicContact CZ-CD 3.72Å; F122-K144 HydrophobicContact CZ-CG 3.57Å; F122-I148 HydrophobicContact CB-CD1 4.01Å; F122-I148 HydrophobicContact CG-CD1 4.41Å
123K97.2Very high96.3Very high144 Ų14462.1 Ų62.163%0.62632%0.32SS*.Hα-helixtrans-61.1-32.2179.7-74.5171.1175.8169.20113.3D119 K120 G125D119-K123 WeakPolarHBondContact O-CB 3.39Å; D119-K123 VanDerWaalsContact O-CG 3.32Å; D119-K123 WeakPolarHBondContact O-CG 3.44Å; D119-K123 PolarHBondContact O-N 3.14Å; D119-K123 IonicContact OD1-NZ 3.59Å; D119-K123 WeakPolarHBondContact OD2-CE 3.35Å; D119-K123 IonicContact OD2-NZ 3.97Å; D119-K123 PolarHBondContact OD2-NZ 3.23Å; K120-K123 PolarHBondContact O-N 3.41Å; K123-G125 VanDerWaalsContact C-N 3.3Å
124N97.3Very high96Very high97 Ų9764.7 Ų64.752%0.51934%0.34SS..THydrogen-bonded Turntrans-86.34.2177.5-68.2-7.6000113.5K120 A121 F122 K126K120-N124 VanDerWaalsContact O-CB 3.28Å; K120-N124 WeakPolarHBondContact O-CB 3.37Å; K120-N124 PolarHBondContact O-N 3.06Å; A121-N124 PolarHBondContact O-N 3.25Å; F122-N124 PolarHBondContact O-N 2.95Å; N124-K126 VanDerWaalsContact C-N 3.3Å; N124-K126 HydrophobicContact CB-CG 4.1Å; N124-K126 PolarHBondContact O-N 3.47Å
125G96.1Very high95.6Very high51 Ų5168.1 Ų68.153%0.52636%0.358SS..THydrogen-bonded Turntrans69.221.7178.600000114.8A121 F122 K123A121-G125 PolarHBondContact O-N 3.28Å; F122-G125 PolarHBondContact O-N 3.38Å; K123-G125 VanDerWaalsContact C-N 3.3Å
126K96.9Very high95.2Very high59 Ų5973.4 Ų73.426%0.25739%0.394SS..  trans-79.2-25.3-176.4-62.2-161.8172.9-156.90113.9A121 N124 T128 W287 D314A121-K126 HydrophobicContact CB-CB 4.22Å; A121-K126 PolarHBondContact O-N 3.25Å; N124-K126 VanDerWaalsContact C-N 3.3Å; N124-K126 HydrophobicContact CB-CG 4.1Å; N124-K126 PolarHBondContact O-N 3.47Å; K126-T128 PolarHBondContact O-N 3.44Å; K126-W287 HydrophobicContact CB-CD2 4.05Å; K126-W287 HydrophobicContact CB-CE3 4.08Å; K126-W287 HydrophobicContact CB-CH2 4.19Å; K126-W287 HydrophobicContact CB-CZ2 4.19Å; K126-W287 HydrophobicContact CB-CZ3 4.13Å; K126-W287 HydrophobicContact CD-CD2 4.23Å; K126-W287 HydrophobicContact CD-CZ2 3.8Å; K126-W287 HydrophobicContact CG-CZ2 4.45Å; K126-W287 VanDerWaalsContact O-CZ3 3.25Å; K126-W287 WeakPolarHBondContact O-CZ3 3.12Å; K126-D314 IonicContact NZ-OD1 2.76Å; K126-D314 IonicContact NZ-OD2 3.52Å; K126-D314 PolarHBondContact NZ-OD2 3.47Å
127L95.6Very high94.8Very high15 Ų1575.1 Ų75.18%0.07942%0.421CS..  trans-7757.6-179.2-54.2-174.7000111.7A121 F122 D129 M130 I148 W287 L293A121-L127 HydrophobicContact CB-CD2 3.9Å; A121-L127 HydrophobicContact CB-CG 4.2Å; F122-L127 HydrophobicContact CB-CD1 3.96Å; F122-L127 HydrophobicContact CD2-CD1 4.38Å; L127-D129 PolarHBondContact O-N 3.38Å; L127-M130 HydrophobicContact CB-CE 4.43Å; L127-M130 HydrophobicContact CD1-CE 4.1Å; L127-M130 PolarHBondContact O-N 3.37Å; L127-I148 HydrophobicContact CD1-CD1 4.3Å; L127-W287 HydrophobicContact CD2-CB 4.35Å; L127-L293 HydrophobicContact CD1-CD2 4.05Å
128T93.8Very high94.3Very high91 Ų9177.4 Ų77.456%0.55843%0.433SS*.THydrogen-bonded Turntrans-71.2-8.6-174.4560000114.1K126 N310K126-T128 PolarHBondContact O-N 3.44Å; T128-N310 PolarHBondContact OG1-ND2 3.33Å
129D92.4Very high93.7Very high46 Ų4686.9 Ų86.925%0.24647%0.474CS..THydrogen-bonded Turntrans-85.9-13.317660.3-45.9000113.5L127 L131 S306 H307L127-D129 PolarHBondContact O-N 3.38Å; D129-L131 PolarHBondContact O-N 2.84Å; D129-S306 WeakPolarHBondContact CB-OG 3.41Å; D129-H307 IonicContact OD1-CD2 2.94Å; D129-H307 IonicContact OD1-NE2 3.75Å; D129-H307 IonicContact OD2-CD2 3.22Å; D129-H307 PolarHBondContact OD2-CD2 3.15Å; D129-H307 VanDerWaalsContact OD2-CD2 3.24Å; D129-H307 IonicContact OD2-NE2 3.74Å
130M93.9Very high93.3Very high50 Ų5092.5 Ų92.525%0.24650%0.5CS..  trans-79.1108.3173.5-170.3-172.8-50.800110.3L127 D145L127-M130 HydrophobicContact CB-CE 4.43Å; L127-M130 HydrophobicContact CD1-CE 4.1Å; L127-M130 PolarHBondContact O-N 3.37Å; M130-D145 HydrophobicContact CE-CB 4.14Å; M130-D145 WeakPolarHBondContact CE-OD2 3.24Å
131L93.2Very high93.1Very high141 Ų14188.6 Ų88.674%0.73849%0.487SS*.  trans-85.1139.9170-58.4-178.9000109.7D129D129-L131 PolarHBondContact O-N 2.84Å
132Q92.7Very high92.8Very high137 Ų13791.7 Ų91.764%0.6450%0.502SS*.  trans-68.9133.2173.6-60.3-175.88.100109.7P141 I142 V143Q132-P141 HydrophobicContact CB-CB 4.4Å; Q132-I142 WeakPolarHBondContact CA-O 3.31Å; Q132-V143 HydrophobicContact CG-CB 4.41Å; Q132-V143 HydrophobicContact CG-CG1 3.9Å
133I91.7Very high92.6Very high106 Ų10692 Ų9254%0.54451%0.509SS..BIsolated β-bridgetrans-119.3130.1-179.4-60.2174.6000109I135 I142I133-I135 HydrophobicContact CG2-CG1 4.33Å; I133-I142 PolarHBondContact N-O 2.96Å; I133-I142 PolarHBondContact O-N 3.29Å
134V91.4Very high92.4Very high100 Ų10088.4 Ų88.461%0.60649%0.494SS*.  trans-96.4114.2169.3-178.30000108P141V134-P141 HydrophobicContact CG2-CB 4.02Å
135I89.2Confident92.3Very high73 Ų7386.4 Ų86.437%0.37448%0.483SS..  trans-85.5133.6175.9-59.3-173.2000108.8I133 G137 N138 I142I133-I135 HydrophobicContact CG2-CG1 4.33Å; I135-G137 PolarHBondContact O-N 2.9Å; I135-N138 HydrophobicContact CB-CB 4.47Å; I135-N138 PolarHBondContact O-N 3.46Å; I135-I142 HydrophobicContact CD1-CD1 3.4Å; I135-I142 HydrophobicContact CG1-CD1 3.96Å
136P90.4Very high92.3Very high125 Ų12590.6 Ų90.681%0.81249%0.494SS*.THydrogen-bonded Turntrans-51.4124.9171.5-26.735000111.8
137G90.2Very high92.2Very high83 Ų8387.8 Ų87.886%0.85648%0.481SS*.THydrogen-bonded Turntrans97.4-15.2-178.100000115I135I135-G137 PolarHBondContact O-N 2.9Å
138N87.9Confident92.3Very high88 Ų8887.7 Ų87.747%0.47148%0.481SS..  trans-93.2138.1172.7-72.59.4000110.6I135I135-N138 HydrophobicContact CB-CB 4.47Å; I135-N138 PolarHBondContact O-N 3.46Å
139K85.4Confident92.3Very high199 Ų19990.7 Ų90.787%0.86548%0.482SS*.SBendtrans-74.7-38.5176.6-68.2-175.2178.3-178.60112.6
140E91.3Very high92.5Very high145 Ų14591.9 Ų91.968%0.67849%0.49SS*.SBendtrans-105.6144.4-174.6-61.3-56.6139.600111.5
141P93.3Very high92.5Very high43 Ų4391.4 Ų91.428%0.27949%0.492SS..  trans-65.5148.1172.627.4-32.7000111.2Q132 V134 V143Q132-P141 HydrophobicContact CB-CB 4.4Å; V134-P141 HydrophobicContact CG2-CB 4.02Å; P141-V143 HydrophobicContact CB-CG1 4.16Å; P141-V143 HydrophobicContact CG-CG1 3.94Å; P141-V143 PolarHBondContact O-N 2.77Å
142I92.7Very high92.7Very high68 Ų6887.4 Ų87.435%0.34948%0.476SS..BIsolated β-bridgetrans-76.7117.3166.3-60.6178.5000107.7Q132 I133 I135Q132-I142 WeakPolarHBondContact CA-O 3.31Å; I133-I142 PolarHBondContact N-O 2.96Å; I133-I142 PolarHBondContact O-N 3.29Å; I135-I142 HydrophobicContact CD1-CD1 3.4Å; I135-I142 HydrophobicContact CG1-CD1 3.96Å
143V92.3Very high92.9Very high71 Ų7183.3 Ų83.343%0.4346%0.458SS..  trans-118.1-2.6-175.2-56.10000113.9F122 Q132 P141F122-V143 WeakPolarHBondContact CE2-O 3.46Å; Q132-V143 HydrophobicContact CG-CB 4.41Å; Q132-V143 HydrophobicContact CG-CG1 3.9Å; P141-V143 HydrophobicContact CB-CG1 4.16Å; P141-V143 HydrophobicContact CG-CG1 3.94Å; P141-V143 PolarHBondContact O-N 2.77Å
144K92.8Very high93.1Very high69 Ų6984.7 Ų84.730%0.346%0.463SS..SBendtrans-146.4143-176.5-174178.9-177178.30111D119 F122D119-K144 IonicContact OD1-NZ 3.71Å; F122-K144 HydrophobicContact CD1-CD 3.99Å; F122-K144 HydrophobicContact CD1-CG 4.29Å; F122-K144 HydrophobicContact CD2-CG 4.02Å; F122-K144 HydrophobicContact CE1-CB 4.4Å; F122-K144 HydrophobicContact CE1-CD 3.58Å; F122-K144 HydrophobicContact CE1-CG 3.93Å; F122-K144 HydrophobicContact CE2-CB 3.73Å; F122-K144 HydrophobicContact CE2-CD 4.24Å; F122-K144 HydrophobicContact CE2-CG 3.62Å; F122-K144 HydrophobicContact CG-CD 4.48Å; F122-K144 HydrophobicContact CG-CG 4.34Å; F122-K144 HydrophobicContact CZ-CB 3.64Å; F122-K144 HydrophobicContact CZ-CD 3.72Å; F122-K144 HydrophobicContact CZ-CG 3.57Å
145D95.7Very high93.4Very high54 Ų5485.9 Ų85.929%0.28946%0.459SS..  trans-65.2131168.8-69.4-33.8000112.1M130 G147 I148M130-D145 HydrophobicContact CE-CB 4.14Å; M130-D145 WeakPolarHBondContact CE-OD2 3.24Å; D145-G147 PolarHBondContact O-N 3.49Å; D145-I148 HydrophobicContact CB-CD1 4.21Å; D145-I148 HydrophobicContact CB-CG1 4.21Å
146N94.8Very high93.8Very high140 Ų14082.9 Ų82.975%0.74944%0.444SS*.THydrogen-bonded Turntrans-66.5-22.7-179.3-67.2-31.9000113.8I148N146-I148 VanDerWaalsContact C-N 3.31Å; N146-I148 PolarHBondContact O-N 3.07Å
147G96Very high94Very high0 Ų079.6 Ų79.60%042%0.424CS..THydrogen-bonded Turntrans-70.7-24.9-174.300000114.6H115 D145 R149 S292H115-G147 PolarHBondContact CE1-O 3.47Å; H115-G147 PolarHBondContact ND1-O 3.46Å; D145-G147 PolarHBondContact O-N 3.49Å; G147-R149 PolarHBondContact O-N 2.71Å; G147-S292 CarbonylContact C-O 3.53Å; G147-S292 WeakPolarHBondContact CA-O 3.45Å
148I96.6Very high94.3Very high13 Ų1379.2 Ų79.27%0.06741%0.408CS..  trans-7191.2-171.5-55.6179.8000110A118 D119 F122 L127 D145 N146 S292 L293A118-I148 HydrophobicContact CB-CD1 4.21Å; A118-I148 HydrophobicContact CB-CG1 4.01Å; A118-I148 HydrophobicContact CB-CG2 4.35Å; D119-I148 VanDerWaalsContact CA-CG2 3.48Å; D119-I148 HydrophobicContact CB-CG2 3.52Å; F122-I148 HydrophobicContact CB-CD1 4.01Å; F122-I148 HydrophobicContact CG-CD1 4.41Å; L127-I148 HydrophobicContact CD1-CD1 4.3Å; D145-I148 HydrophobicContact CB-CD1 4.21Å; D145-I148 HydrophobicContact CB-CG1 4.21Å; N146-I148 VanDerWaalsContact C-N 3.31Å; N146-I148 PolarHBondContact O-N 3.07Å; I148-S292 PolarHBondContact N-O 3.18Å; I148-L293 HydrophobicContact CD1-CD2 3.93Å; I148-L293 HydrophobicContact CG1-CD2 4.05Å
149R95.5Very high94.7Very high153 Ų15377.7 Ų77.758%0.57740%0.4SS*.  trans-134.490.7-175.6-62.3177.2-64.2172.51.2110H115 G147 S151H115-R149 PolarHBondContact ND1-N 3.3Å; G147-R149 PolarHBondContact O-N 2.71Å; R149-S151 PolarHBondContact O-N 3.18Å
150V96.1Very high95.2Very high71 Ų7176.4 Ų76.443%0.4339%0.394SS..  trans-73.2119.8177.1-172.70000109.1F112 H115 D119F112-V150 HydrophobicContact CE2-CG1 4.12Å; H115-V150 HydrophobicContact CB-CG2 4.37Å; D119-V150 HydrophobicContact CB-CG2 3.67Å
151S94.4Very high95.5Very high41 Ų4170.8 Ų70.829%0.28737%0.37SS..  trans-113.3167.4176.2179.60000109.9F112 R149 K155F112-S151 WeakPolarHBondContact CD2-O 3.26Å; F112-S151 WeakPolarHBondContact CE2-O 3.5Å; R149-S151 PolarHBondContact O-N 3.18Å; S151-K155 WeakPolarHBondContact OG-CB 3.41Å; S151-K155 WeakPolarHBondContact OG-CG 3.35Å
152S96.7Very high95.5Very high57 Ų5771 Ų7140%0.39938%0.375SS..  trans-75.8155.7168.793.60000111.3E154 K155 L156S152-E154 VanDerWaalsContact C-N 3.31Å; S152-E154 WeakPolarHBondContact CB-OE2 3.41Å; S152-E154 PolarHBondContact O-N 3.06Å; S152-E154 PolarHBondContact OG-N 3.38Å; S152-E154 PolarHBondContact OG-OE2 3.26Å; S152-K155 PolarHBondContact O-N 2.91Å; S152-K155 PolarHBondContact OG-N 2.69Å; S152-K155 VanDerWaalsContact OG-N 3.15Å; S152-L156 PolarHBondContact O-N 3.15Å
153L96.4Very high95.5Very high51 Ų5171.2 Ų71.227%0.26737%0.374SS..Hα-helixtrans-64.8-37.6178.2-163.972.1000111.1D108 E109 F112 K155 L156 S157D108-L153 HydrophobicContact CB-CD1 4.12Å; E109-L153 HydrophobicContact CB-CD1 4.4Å; E109-L153 HydrophobicContact CG-CD1 3.83Å; E109-L153 HydrophobicContact CG-CD2 3.97Å; F112-L153 HydrophobicContact CB-CD1 4.18Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 2.73Å; L153-L156 PolarHBondContact O-N 3.35Å; L153-S157 WeakPolarHBondContact O-CB 3.4Å; L153-S157 PolarHBondContact O-N 3.13Å; L153-S157 PolarHBondContact O-OG 3.26Å
154E96.8Very high95.4Very high135 Ų13570.4 Ų70.463%0.63136%0.363SS*.Hα-helixtrans-60.2-42.6175.9-55.372.5-156.600110.8S152 S157 S158S152-E154 VanDerWaalsContact C-N 3.31Å; S152-E154 WeakPolarHBondContact CB-OE2 3.41Å; S152-E154 PolarHBondContact O-N 3.06Å; S152-E154 PolarHBondContact OG-N 3.38Å; S152-E154 PolarHBondContact OG-OE2 3.26Å; E154-S157 PolarHBondContact O-N 2.63Å; E154-S158 PolarHBondContact O-N 3.47Å
155K97.2Very high95Very high124 Ų12473.5 Ų73.554%0.53938%0.379SS..Hα-helixtrans-67.3-42.5177.9-176.962.9177.6-179.60111.3S151 S152 L153 S157 S158S151-K155 WeakPolarHBondContact OG-CB 3.41Å; S151-K155 WeakPolarHBondContact OG-CG 3.35Å; S152-K155 PolarHBondContact O-N 2.91Å; S152-K155 PolarHBondContact OG-N 2.69Å; S152-K155 VanDerWaalsContact OG-N 3.15Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 2.73Å; K155-S157 VanDerWaalsContact C-N 3.34Å; K155-S158 PolarHBondContact O-N 3.19Å; K155-S158 PolarHBondContact O-OG 2.97Å
156L97.1Very high94.4Very high11 Ų1174.7 Ų74.76%0.05840%0.404CS..Hα-helixtrans-59.5-45.7174.4-71.2172.9000111.1R104 D108 F112 S152 L153 S158 L159R104-L156 PolarHBondContact NH2-O 3.4Å; D108-L156 HydrophobicContact CB-CB 4.09Å; F112-L156 HydrophobicContact CB-CD1 3.86Å; S152-L156 PolarHBondContact O-N 3.15Å; L153-L156 PolarHBondContact O-N 3.35Å; L156-S158 VanDerWaalsContact C-N 3.29Å; L156-S158 PolarHBondContact O-N 3.02Å; L156-L159 HydrophobicContact CD2-CD1 4.4Å; L156-L159 WeakPolarHBondContact O-CB 3.24Å; L156-L159 WeakPolarHBondContact O-CG 3.14Å; L156-L159 PolarHBondContact O-N 3.24Å
157S95.4Very high94.2Very high56 Ų5673.4 Ų73.439%0.39240%0.395SS..Hα-helixtrans-68.7-23.3178.8-64.10000114.2R104 D108 L153 E154 K155 L159R104-S157 VanDerWaalsContact NH2-C 3.32Å; R104-S157 PolarHBondContact NH2-O 3.4Å; D108-S157 WeakPolarHBondContact OD2-CA 3.41Å; D108-S157 PolarHBondContact OD2-N 3.42Å; D108-S157 PolarHBondContact OD2-OG 3.17Å; L153-S157 WeakPolarHBondContact O-CB 3.4Å; L153-S157 PolarHBondContact O-N 3.13Å; L153-S157 PolarHBondContact O-OG 3.26Å; E154-S157 PolarHBondContact O-N 2.63Å; K155-S157 VanDerWaalsContact C-N 3.34Å; S157-L159 VanDerWaalsContact C-N 3.26Å; S157-L159 PolarHBondContact O-N 3.24Å
158S96.2Very high94Very high74 Ų7473.9 Ų73.952%0.51740%0.401SS..THydrogen-bonded Turntrans-72.2-15.7173.677.80000114.3E154 K155 L156E154-S158 PolarHBondContact O-N 3.47Å; K155-S158 PolarHBondContact O-N 3.19Å; K155-S158 PolarHBondContact O-OG 2.97Å; L156-S158 VanDerWaalsContact C-N 3.29Å; L156-S158 PolarHBondContact O-N 3.02Å
159L96.4Very high94Very high56 Ų5674.4 Ų74.429%0.29341%0.405SS..SBendtrans-68.8140.7-177.3-61.5176.7000111.4R104 L156 S157 T171R104-L159 PolarHBondContact NH1-O 3.46Å; R104-L159 VanDerWaalsContact NH1-O 3.08Å; R104-L159 PolarHBondContact NH2-O 3.44Å; L156-L159 HydrophobicContact CD2-CD1 4.4Å; L156-L159 WeakPolarHBondContact O-CB 3.24Å; L156-L159 WeakPolarHBondContact O-CG 3.14Å; L156-L159 PolarHBondContact O-N 3.24Å; S157-L159 VanDerWaalsContact C-N 3.26Å; S157-L159 PolarHBondContact O-N 3.24Å; L159-T171 HydrophobicContact CB-CG2 4.16Å
160K96.1Very high94.1Very high173 Ų17367.1 Ų67.175%0.75238%0.377SS*.PPolyproline II helixtrans-73.2149173.9-64.7-176.9-179.2-179.50110.6A162K160-A162 PolarHBondContact O-N 2.76Å
161P96.5Very high94.1Very high26 Ų2663.8 Ų63.817%0.16936%0.357CS..BIsolated β-bridgetrans-55.5135.9170.7-25.536.1000111.9R164 Q165 G168 I170P161-R164 WeakPolarHBondContact CB-O 3.37Å; P161-Q165 PolarHBondContact O-NE2 3.36Å; P161-G168 WeakPolarHBondContact CG-O 3.41Å; P161-I170 CarbonylContact C-O 3.4Å; P161-I170 WeakPolarHBondContact CA-O 3.3Å
162A94.2Very high94.2Very high47 Ų4765.6 Ų65.639%0.38837%0.374SS..SBendtrans-89.2-31.9-174.500000113.1K160 I170K160-A162 PolarHBondContact O-N 2.76Å; A162-I170 PolarHBondContact N-O 3.23Å
163F91.8Very high94.2Very high73 Ų7363.4 Ų63.432%0.3236%0.361SS..SBendtrans-114-37-168.8-58.9-80000114.5G90 I170 F249G90-F163 VanDerWaalsContact C-CG 3.44Å; F163-I170 HydrophobicContact CD2-CB 4.02Å; F163-I170 HydrophobicContact CD2-CG2 3.54Å; F163-I170 HydrophobicContact CE2-CB 4.49Å; F163-I170 HydrophobicContact CE2-CG2 3.53Å; F163-F249 HydrophobicContact CE2-CD1 4.46Å; F163-F249 AromaticContact CE2-CE1 3.73Å; F163-F249 HydrophobicContact CE2-CE1 3.73Å; F163-F249 AromaticContact CZ-CE1 3.88Å; F163-F249 HydrophobicContact CZ-CE1 3.88Å; F163-F249 HydrophobicContact CZ-CZ 4.37Å
164R90Very high94.2Very high54 Ų5461 Ų6120%0.20435%0.348CS..SBendtrans-122.399.8177.9-73.6175.867.2-144.111.2109.4H91 D94 P161 I167 G168H91-R164 WeakPolarHBondContact CE1-CG 3.18Å; H91-R164 VanDerWaalsContact ND1-CG 3.29Å; H91-R164 WeakPolarHBondContact ND1-CG 3.39Å; D94-R164 HydrophobicContact CB-CG 4.49Å; D94-R164 WeakPolarHBondContact OD1-CD 3.32Å; D94-R164 IonicContact OD1-CZ 2.67Å; D94-R164 IonicContact OD1-NE 3.11Å; D94-R164 IonicContact OD1-NH1 3.23Å; D94-R164 PolarHBondContact OD1-NH1 3.46Å; P161-R164 WeakPolarHBondContact CB-O 3.37Å; R164-I167 HydrophobicContact CB-CG1 4.19Å; R164-G168 WeakPolarHBondContact O-CA 3.3Å; R164-G168 PolarHBondContact O-N 2.87Å
165Q84.7Confident94.3Very high135 Ų13554.9 Ų54.963%0.63132%0.321SS*.THydrogen-bonded Turntrans-63.5138.7-177.8-63.6-57.5-37.700111.1P161 I167P161-Q165 PolarHBondContact O-NE2 3.36Å; Q165-I167 PolarHBondContact O-N 2.79Å
166G84.4Confident94.3Very high78 Ų7850.1 Ų50.180%0.80430%0.303SS*.THydrogen-bonded Turntrans78.7-35.9177.100000116.2
167I90.4Very high94.2Very high113 Ų11352.5 Ų52.558%0.57931%0.313SS*.THydrogen-bonded Turntrans-118.7-10.6-175.864.1-178.4000114.2R164 Q165R164-I167 HydrophobicContact CB-CG1 4.19Å; Q165-I167 PolarHBondContact O-N 2.79Å
168G91.4Very high94.1Very high11 Ų1155 Ų5511%0.11332%0.321CS..  trans-73.3153-176.900000113.3D94 P161 R164D94-G168 WeakPolarHBondContact OD1-CA 3.3Å; D94-G168 VanDerWaalsContact OD2-C 3.3Å; D94-G168 WeakPolarHBondContact OD2-CA 3.42Å; P161-G168 WeakPolarHBondContact CG-O 3.41Å; R164-G168 WeakPolarHBondContact O-CA 3.3Å; R164-G168 PolarHBondContact O-N 2.87Å
169T96.6Very high94.1Very high24 Ų2452.1 Ų52.115%0.14730%0.301CS..  trans-112.3-20.3176.657.30000112.4D94 R104 Q107 N174D94-T169 PolarHBondContact OD2-N 2.89Å; R104-T169 HydrophobicContact CB-CG2 4.48Å; R104-T169 VanDerWaalsContact CD-O 3.24Å; R104-T169 WeakPolarHBondContact CD-O 3.31Å; Q107-T169 PolarHBondContact NE2-OG1 2.86Å; Q107-T169 PolarHBondContact OE1-O 2.95Å; T169-N174 PolarHBondContact O-ND2 3.03Å
170I97Very high94Very high0 Ų052.9 Ų52.90%031%0.305CS..  trans-81.3129.2178-57.1-76.7000109.8A93 D94 P161 A162 F163 N174 A175 F249A93-I170 HydrophobicContact CB-CD1 4.3Å; A93-I170 HydrophobicContact CB-CG1 4.4Å; D94-I170 HydrophobicContact CB-CB 4.29Å; D94-I170 HydrophobicContact CB-CG1 3.73Å; D94-I170 PolarHBondContact OD2-N 3.25Å; P161-I170 CarbonylContact C-O 3.4Å; P161-I170 WeakPolarHBondContact CA-O 3.3Å; A162-I170 PolarHBondContact N-O 3.23Å; F163-I170 HydrophobicContact CD2-CB 4.02Å; F163-I170 HydrophobicContact CD2-CG2 3.54Å; F163-I170 HydrophobicContact CE2-CB 4.49Å; F163-I170 HydrophobicContact CE2-CG2 3.53Å; I170-N174 WeakPolarHBondContact CA-OD1 3.49Å; I170-A175 HydrophobicContact CG2-CB 4.24Å; I170-F249 HydrophobicContact CD1-CB 3.97Å; I170-F249 HydrophobicContact CD1-CD1 4.46Å; I170-F249 HydrophobicContact CD1-CG 4.48Å; I170-F249 HydrophobicContact CG2-CD1 3.66Å; I170-F249 HydrophobicContact CG2-CE1 4.15Å
171T97.1Very high94.1Very high0 Ų046 Ų460%028%0.283CS..BIsolated β-bridgetrans-124.7168.2177.8730000111L159 G173 N174 A175L159-T171 HydrophobicContact CB-CG2 4.16Å; T171-G173 PolarHBondContact O-N 2.89Å; T171-G173 PolarHBondContact OG1-N 2.93Å; T171-N174 PolarHBondContact N-OD1 3.22Å; T171-N174 PolarHBondContact O-N 3.5Å; T171-N174 PolarHBondContact O-OD1 3.22Å; T171-N174 PolarHBondContact OG1-N 3.2Å; T171-N174 PolarHBondContact OG1-ND2 3.19Å; T171-A175 VanDerWaalsContact O-CB 3.26Å; T171-A175 WeakPolarHBondContact O-CB 3.34Å; T171-A175 PolarHBondContact O-N 3.19Å
172A95.6Very high94.1Very high79 Ų7948.4 Ų48.465%0.65331%0.306SS*.THydrogen-bonded Turntrans-61.1-21.6172.800000113.4
173G96.5Very high94.3Very high11 Ų1147.3 Ų47.311%0.11330%0.295CS..THydrogen-bonded Turntrans-85.3-19179.100000114.1A111 T171A111-G173 WeakPolarHBondContact CB-O 3.49Å; T171-G173 PolarHBondContact O-N 2.89Å; T171-G173 PolarHBondContact OG1-N 2.93Å
174N97.9Very high94.6Very high0 Ų047.1 Ų47.10%031%0.307CS..SBendtrans-117.618.4-179.968.730.1000113Q107 D108 A111 T169 I170 T171 A250 L291Q107-N174 HydrophobicContact CB-CB 4.24Å; D108-N174 PolarHBondContact OD1-ND2 3.27Å; A111-N174 HydrophobicContact CB-CB 3.81Å; T169-N174 PolarHBondContact O-ND2 3.03Å; I170-N174 WeakPolarHBondContact CA-OD1 3.49Å; T171-N174 PolarHBondContact N-OD1 3.22Å; T171-N174 PolarHBondContact O-N 3.5Å; T171-N174 PolarHBondContact O-OD1 3.22Å; T171-N174 PolarHBondContact OG1-N 3.2Å; T171-N174 PolarHBondContact OG1-ND2 3.19Å; N174-A250 HydrophobicContact CB-CB 4.05Å; N174-A250 WeakPolarHBondContact O-CB 3.37Å; N174-A250 PolarHBondContact O-N 3.24Å; N174-L291 WeakPolarHBondContact O-CD1 3.37Å
175A97.4Very high95Very high7 Ų746 Ų466%0.05831%0.307CS..BIsolated β-bridgetrans-117.3151.1175.400000110.5I170 T171 F249I170-A175 HydrophobicContact CG2-CB 4.24Å; T171-A175 VanDerWaalsContact O-CB 3.26Å; T171-A175 WeakPolarHBondContact O-CB 3.34Å; T171-A175 PolarHBondContact O-N 3.19Å; A175-F249 HydrophobicContact CB-CD1 3.43Å; A175-F249 VanDerWaalsContact CB-CD1 3.43Å; A175-F249 HydrophobicContact CB-CE1 3.65Å
176S97Very high95.6Very high25 Ų2544.4 Ų44.418%0.17530%0.302CS..  trans-65.8164.7160.864.50000110.7A248S176-A248 VanDerWaalsContact CB-O 3.31Å; S176-A248 WeakPolarHBondContact CB-O 3.23Å; S176-A248 PolarHBondContact N-O 3.04Å; S176-A248 PolarHBondContact OG-O 3.44Å
177F95Very high96.3Very high60 Ų6041.5 Ų41.526%0.26327%0.268SS..  trans-123.9165.5-175.757.7-76.2000110.5T179F177-T179 HydrophobicContact CD2-CG2 3.39Å; F177-T179 HydrophobicContact CE1-CG2 4.29Å; F177-T179 HydrophobicContact CE2-CG2 3.08Å; F177-T179 HydrophobicContact CG-CG2 4.13Å; F177-T179 HydrophobicContact CZ-CG2 3.53Å; F177-T179 PolarHBondContact O-N 3.3Å
178L93.5Very high96.6Very high108 Ų10837.9 Ų37.957%0.56525%0.251SS*.  trans-67.8128176.2-58.1-179.4000109.3M33 I80 F297M33-L178 HydrophobicContact CB-CB 4.25Å; I80-L178 HydrophobicContact CD1-CD1 4.31Å; I80-L178 HydrophobicContact CD1-CD2 3.47Å; I80-L178 VanDerWaalsContact CD1-CD2 3.47Å; L178-F297 HydrophobicContact CD2-CZ 4.49Å
179T95.8Very high96.9Very high15 Ų1539.4 Ų39.49%0.09226%0.258CS..  trans-141.6146-173.851.80000112.3F177 H295 P296F177-T179 HydrophobicContact CD2-CG2 3.39Å; F177-T179 HydrophobicContact CE1-CG2 4.29Å; F177-T179 HydrophobicContact CE2-CG2 3.08Å; F177-T179 HydrophobicContact CG-CG2 4.13Å; F177-T179 HydrophobicContact CZ-CG2 3.53Å; F177-T179 PolarHBondContact O-N 3.3Å; T179-H295 WeakPolarHBondContact OG1-CA 3.29Å; T179-H295 PolarHBondContact OG1-N 3.22Å; T179-H295 PolarHBondContact OG1-O 2.84Å; T179-P296 VanDerWaalsContact OG1-CD 3.25Å; T179-P296 WeakPolarHBondContact OG1-CD 3.37Å
180D96Very high96.8Very high71 Ų7141.9 Ų41.938%0.3827%0.268SS..  trans-95.7144.2169.2-50.5-39.5000109.5E31 L32 M33 S34E31-D180 WeakPolarHBondContact O-CA 3.4Å; L32-D180 WeakPolarHBondContact CA-OD1 3.13Å; L32-D180 HydrophobicContact CD1-CB 3.97Å; M33-D180 WeakPolarHBondContact CA-OD1 3.29Å; M33-D180 PolarHBondContact N-OD1 3.21Å; S34-D180 WeakPolarHBondContact CB-OD2 3.44Å; S34-D180 PolarHBondContact N-OD1 3.21Å; S34-D180 PolarHBondContact OG-OD1 2.74Å; S34-D180 PolarHBondContact OG-OD2 3.01Å
181G96.7Very high96.7Very high28 Ų2845.3 Ų45.329%0.28930%0.297SS..EExtended strand (participates in β ladder)trans173.7157.7175.700000113.6V30 E31V30-G181 WeakPolarHBondContact CA-O 3.49Å; E31-G181 PolarHBondContact N-O 2.72Å; E31-G181 PolarHBondContact O-N 3.03Å
182A97.7Very high96.7Very high78 Ų7848 Ų4865%0.64531%0.309SS*.EExtended strand (participates in β ladder)trans-130.5156.8174.700000110.1G29 V30G29-A182 CarbonylContact O-C 3.57Å; G29-A182 VanDerWaalsContact O-CA 3.29Å; G29-A182 WeakPolarHBondContact O-CA 3.43Å; V30-A182 HydrophobicContact CB-CB 4.16Å; V30-A182 HydrophobicContact CG2-CB 4.01Å
183S98.2Very high96.7Very high24 Ų2444.4 Ų44.417%0.16828%0.278CS..EExtended strand (participates in β ladder)trans-153.2148.6178.857.70000109.9A28 G29 A299 V302A28-S183 CarbonylContact C-O 3.54Å; A28-S183 WeakPolarHBondContact CA-O 3.46Å; A28-S183 WeakPolarHBondContact CB-O 3.31Å; G29-S183 PolarHBondContact N-O 3.09Å; G29-S183 PolarHBondContact O-N 2.76Å; S183-A299 WeakPolarHBondContact OG-CA 3.41Å; S183-A299 WeakPolarHBondContact OG-CB 3.36Å; S183-A299 PolarHBondContact OG-O 3.4Å; S183-V302 WeakPolarHBondContact OG-CB 3.24Å
184A98.3Very high96.7Very high68 Ų6850.5 Ų50.556%0.56230%0.302SS*.EExtended strand (participates in β ladder)trans-146.5150.5177.700000111.1V26 A27 A28V26-A184 HydrophobicContact CG1-CB 4.34Å; A27-A184 CarbonylContact O-C 3.43Å; A27-A184 VanDerWaalsContact O-CA 3.29Å; A27-A184 WeakPolarHBondContact O-CA 3.3Å; A28-A184 HydrophobicContact CB-CB 3.93Å
185C97.8Very high96.6Very high30 Ų3054.4 Ų54.420%0.20333%0.334CS..EExtended strand (participates in β ladder)trans-137.4148.4168.765.90000111.1V26 A27 V302V26-C185 WeakPolarHBondContact CA-O 3.43Å; A27-C185 PolarHBondContact N-O 3.5Å; A27-C185 PolarHBondContact O-N 3.13Å; C185-V302 HydrophobicContact CB-CG1 4.07Å
186L98Very high96.6Very high102 Ų10258.7 Ų58.753%0.53436%0.356SS..EExtended strand (participates in β ladder)trans-94.1124174.8-174.668.8000109.1V24 V26 L198V24-L186 HydrophobicContact CG1-CD1 3.55Å; V24-L186 HydrophobicContact CG1-CG 4.39Å; V26-L186 HydrophobicContact CG2-CD1 3.92Å; L186-L198 HydrophobicContact CD2-CD1 4.28Å
187I98Very high96.6Very high17 Ų1760.9 Ų60.99%0.08738%0.382CS..EExtended strand (participates in β ladder)trans-117.1133.7178.8-57.9172.1000107.4I10 C13 M14 V17 V24 A25 A27 L204I10-I187 HydrophobicContact CG2-CD1 4.08Å; C13-I187 HydrophobicContact CB-CD1 3.85Å; M14-I187 HydrophobicContact CG-CD1 4.41Å; V17-I187 HydrophobicContact CG2-CG2 4.43Å; V24-I187 CarbonylContact C-O 3.6Å; V24-I187 WeakPolarHBondContact CA-O 3.47Å; A25-I187 PolarHBondContact N-O 2.96Å; A25-I187 PolarHBondContact O-N 3.04Å; A25-I187 VanDerWaalsContact O-O 3.11Å; A27-I187 HydrophobicContact CB-CD1 3.91Å; I187-L204 HydrophobicContact CD1-CD1 3.74Å; I187-L204 HydrophobicContact CG1-CD1 3.98Å; I187-L204 HydrophobicContact CG2-CD1 4.22Å
188T97.8Very high96.6Very high38 Ų3861.7 Ų61.723%0.23339%0.389CS..EExtended strand (participates in β ladder)trans-151.3161.8-178.1178.20000110.1E23 K192 A193E23-T188 VanDerWaalsContact O-CA 3.25Å; E23-T188 WeakPolarHBondContact O-CA 3.3Å; E23-T188 PolarHBondContact O-OG1 3.34Å; E23-T188 VanDerWaalsContact O-OG1 3.11Å; T188-K192 WeakPolarHBondContact OG1-CB 3.4Å; T188-A193 HydrophobicContact CG2-CB 3.81Å
189T96.9Very high96.7Very high42 Ų4263.8 Ų63.826%0.25839%0.393SS..  trans-66.4153.5166.871.70000110.8V17 E23 A191 K192 A193V17-T189 HydrophobicContact CG1-CG2 3.65Å; E23-T189 PolarHBondContact O-N 2.89Å; E23-T189 VanDerWaalsContact O-N 3.12Å; T189-A191 VanDerWaalsContact C-N 3.3Å; T189-A191 PolarHBondContact O-N 3.32Å; T189-K192 PolarHBondContact O-N 2.95Å; T189-K192 WeakPolarHBondContact OG1-CB 3.35Å; T189-K192 PolarHBondContact OG1-N 3.1Å; T189-K192 VanDerWaalsContact OG1-N 3.08Å; T189-A193 WeakPolarHBondContact O-CB 3.4Å; T189-A193 PolarHBondContact O-N 3.44Å
190E94.5Very high96.7Very high76 Ų7665.1 Ų65.136%0.35540%0.402SS..Hα-helixtrans-62.4-39176.1-175.2175.815300111.6A193 K194 R203E190-A193 PolarHBondContact O-N 3.27Å; E190-K194 HydrophobicContact CG-CD 4.46Å; E190-K194 WeakPolarHBondContact O-CG 3.44Å; E190-K194 PolarHBondContact O-N 2.88Å; E190-K194 VanDerWaalsContact OE1-CE 3.27Å; E190-K194 WeakPolarHBondContact OE1-CE 3.23Å; E190-K194 IonicContact OE1-NZ 2.73Å; E190-K194 PolarHBondContact OE1-NZ 2.92Å; E190-R203 IonicContact OE1-NH2 3.58Å; E190-R203 IonicContact OE2-CZ 3.45Å; E190-R203 IonicContact OE2-NE 3.68Å; E190-R203 PolarHBondContact OE2-NE 3.13Å; E190-R203 IonicContact OE2-NH2 2.79Å; E190-R203 PolarHBondContact OE2-NH2 2.89Å
191A95.1Very high96.7Very high73 Ų7366.6 Ų66.660%0.60341%0.405SS*.Hα-helixtrans-61.6-45.6176.800000111.5T189 K194 A195T189-A191 VanDerWaalsContact C-N 3.3Å; T189-A191 PolarHBondContact O-N 3.32Å; A191-K194 PolarHBondContact O-N 3.4Å; A191-A195 WeakPolarHBondContact O-CB 3.3Å; A191-A195 PolarHBondContact O-N 3.49Å
192K97.4Very high96.7Very high57 Ų5766.4 Ų66.425%0.24840%0.401CS..Hα-helixtrans-69.3-38.4178.9-173.462.9165.8-148.10112.3E23 V24 T188 T189 K194 A195 L196E23-K192 HydrophobicContact CB-CB 4.2Å; E23-K192 HydrophobicContact CB-CD 4.37Å; E23-K192 HydrophobicContact CB-CG 3.99Å; E23-K192 WeakPolarHBondContact OE2-CE 3.32Å; E23-K192 IonicContact OE2-NZ 2.77Å; E23-K192 PolarHBondContact OE2-NZ 3.34Å; V24-K192 HydrophobicContact CG2-CG 3.67Å; T188-K192 WeakPolarHBondContact OG1-CB 3.4Å; T189-K192 PolarHBondContact O-N 2.95Å; T189-K192 WeakPolarHBondContact OG1-CB 3.35Å; T189-K192 PolarHBondContact OG1-N 3.1Å; T189-K192 VanDerWaalsContact OG1-N 3.08Å; K192-K194 VanDerWaalsContact C-N 3.32Å; K192-K194 PolarHBondContact O-N 3.4Å; K192-A195 PolarHBondContact O-N 3.19Å; K192-L196 HydrophobicContact CD-CD1 4.29Å; K192-L196 HydrophobicContact CD-CG 4.25Å; K192-L196 HydrophobicContact CG-CD1 3.97Å; K192-L196 HydrophobicContact CG-CG 4.35Å; K192-L196 WeakPolarHBondContact O-CB 3.49Å; K192-L196 VanDerWaalsContact O-CG 3.31Å; K192-L196 WeakPolarHBondContact O-CG 3.48Å; K192-L196 PolarHBondContact O-N 3.27Å
193A96.2Very high96.7Very high2 Ų267 Ų672%0.01739%0.386CS..Hα-helixtrans-58-45.5173.400000111.8T188 T189 E190 L196 G197 L198 P200T188-A193 HydrophobicContact CG2-CB 3.81Å; T189-A193 WeakPolarHBondContact O-CB 3.4Å; T189-A193 PolarHBondContact O-N 3.44Å; E190-A193 PolarHBondContact O-N 3.27Å; A193-L196 PolarHBondContact O-N 3.08Å; A193-G197 PolarHBondContact O-N 2.91Å; A193-L198 HydrophobicContact CB-CB 4.34Å; A193-L198 PolarHBondContact O-N 3.32Å; A193-P200 HydrophobicContact CB-CG 3.56Å
194K94.7Very high96.7Very high139 Ų13968 Ų6860%0.60439%0.39SS*.Hα-helixtrans-62-45.6174.9-72174.8-175170.20111.9E190 A191 K192 L196 G197E190-K194 HydrophobicContact CG-CD 4.46Å; E190-K194 WeakPolarHBondContact O-CG 3.44Å; E190-K194 PolarHBondContact O-N 2.88Å; E190-K194 VanDerWaalsContact OE1-CE 3.27Å; E190-K194 WeakPolarHBondContact OE1-CE 3.23Å; E190-K194 IonicContact OE1-NZ 2.73Å; E190-K194 PolarHBondContact OE1-NZ 2.92Å; A191-K194 PolarHBondContact O-N 3.4Å; K192-K194 VanDerWaalsContact C-N 3.32Å; K192-K194 PolarHBondContact O-N 3.4Å; K194-L196 PolarHBondContact O-N 3.48Å; K194-G197 PolarHBondContact O-N 2.79Å; K194-G197 VanDerWaalsContact O-N 3.09Å
195A97.3Very high96.7Very high83 Ų8371 Ų7169%0.68639%0.387SS*.Hα-helixtrans-61.8-31.7178.400000113.1A191 K192A191-A195 WeakPolarHBondContact O-CB 3.3Å; A191-A195 PolarHBondContact O-N 3.49Å; K192-A195 PolarHBondContact O-N 3.19Å
196L96.8Very high96.7Very high97 Ų9772.4 Ų72.451%0.50839%0.39SS..THydrogen-bonded Turntrans-87.60.9177.1-66.2175.4000113.7V24 K192 A193 K194 L198V24-L196 HydrophobicContact CG2-CD1 4.44Å; K192-L196 HydrophobicContact CD-CD1 4.29Å; K192-L196 HydrophobicContact CD-CG 4.25Å; K192-L196 HydrophobicContact CG-CD1 3.97Å; K192-L196 HydrophobicContact CG-CG 4.35Å; K192-L196 WeakPolarHBondContact O-CB 3.49Å; K192-L196 VanDerWaalsContact O-CG 3.31Å; K192-L196 WeakPolarHBondContact O-CG 3.48Å; K192-L196 PolarHBondContact O-N 3.27Å; A193-L196 PolarHBondContact O-N 3.08Å; K194-L196 PolarHBondContact O-N 3.48Å; L196-L198 HydrophobicContact CB-CD1 4.05Å; L196-L198 HydrophobicContact CB-CG 3.88Å; L196-L198 HydrophobicContact CD1-CD1 4.09Å; L196-L198 PolarHBondContact O-N 3.46Å
197G96.6Very high96.7Very high70 Ų7070 Ų7072%0.72237%0.374SS*.THydrogen-bonded Turntrans66.819.9-176.100000114.1A193 K194A193-G197 PolarHBondContact O-N 2.91Å; K194-G197 PolarHBondContact O-N 2.79Å; K194-G197 VanDerWaalsContact O-N 3.09Å
198L95.8Very high96.7Very high78 Ų7869.2 Ų69.241%0.40837%0.371SS..  trans-80.4150.4177.1-59.8175.5000110.1L186 A193 L196 P200L186-L198 HydrophobicContact CD2-CD1 4.28Å; A193-L198 HydrophobicContact CB-CB 4.34Å; A193-L198 PolarHBondContact O-N 3.32Å; L196-L198 HydrophobicContact CB-CD1 4.05Å; L196-L198 HydrophobicContact CB-CG 3.88Å; L196-L198 HydrophobicContact CD1-CD1 4.09Å; L196-L198 PolarHBondContact O-N 3.46Å; L198-P200 VanDerWaalsContact O-CD 3.26Å; L198-P200 WeakPolarHBondContact O-CD 3.1Å
199K94.9Very high96.7Very high152 Ų15269.6 Ų69.666%0.66137%0.368SS*.  trans-102.498.7169.8-173.4171.6-174.2162.50109.8K201 G341K199-K201 PolarHBondContact O-N 2.92Å; K199-G341 WeakPolarHBondContact CE-OXT 3.34Å; K199-G341 PolarHBondContact NZ-OXT 3.21Å
200P95.7Very high96.8Very high43 Ų4368.4 Ų68.428%0.27936%0.361SS..  trans-55.7135.9175.8-29.338000112.5A193 L198 I339A193-P200 HydrophobicContact CB-CG 3.56Å; L198-P200 VanDerWaalsContact O-CD 3.26Å; L198-P200 WeakPolarHBondContact O-CD 3.1Å; P200-I339 HydrophobicContact CB-CD1 3.34Å; P200-I339 HydrophobicContact CG-CD1 4.39Å
201K96Very high96.9Very high102 Ų10268.4 Ų68.444%0.44337%0.373SS..  trans-85.5-40.2179.1-62.7179.371.41750112.3K199 V309 N310 I313 I339K199-K201 PolarHBondContact O-N 2.92Å; K201-V309 HydrophobicContact CB-CG1 3.49Å; K201-V309 VanDerWaalsContact CB-CG1 3.49Å; K201-V309 HydrophobicContact CD-CG1 4.41Å; K201-N310 WeakPolarHBondContact CE-OD1 3.36Å; K201-N310 PolarHBondContact NZ-OD1 3.43Å; K201-I313 HydrophobicContact CB-CD1 4Å; K201-I313 HydrophobicContact CG-CD1 4.31Å; K201-I339 PolarHBondContact O-N 2.74Å
202A97.7Very high96.8Very high24 Ų2465.8 Ų65.820%0.19835%0.349CS..EExtended strand (participates in β ladder)trans-155.8160.7-177.500000111.6V309 V336 E337A202-V309 HydrophobicContact CB-CB 4.45Å; A202-V309 HydrophobicContact CB-CG1 3.95Å; A202-V309 HydrophobicContact CB-CG2 3.72Å; A202-V336 HydrophobicContact CB-CG1 3.62Å; A202-E337 CarbonylContact C-O 3.54Å; A202-E337 VanDerWaalsContact CA-O 3.24Å; A202-E337 WeakPolarHBondContact CA-O 3.43Å; A202-E337 WeakPolarHBondContact CB-O 3.41Å
203R97.6Very high96.5Very high89 Ų8967.2 Ų67.234%0.33636%0.359SS..EExtended strand (participates in β ladder)trans-96.2130.3166.1-61.8-173.6178.9107.8-1.3109.2E190 E337 I339E190-R203 IonicContact OE1-NH2 3.58Å; E190-R203 IonicContact OE2-CZ 3.45Å; E190-R203 IonicContact OE2-NE 3.68Å; E190-R203 PolarHBondContact OE2-NE 3.13Å; E190-R203 IonicContact OE2-NH2 2.79Å; E190-R203 PolarHBondContact OE2-NH2 2.89Å; R203-E337 HydrophobicContact CB-CB 4.42Å; R203-E337 PolarHBondContact N-O 2.78Å; R203-E337 PolarHBondContact O-N 2.83Å; R203-I339 HydrophobicContact CG-CD1 3.61Å; R203-I339 HydrophobicContact CG-CG1 3.62Å
204L97.9Very high96.1Very high46 Ų4668.6 Ų68.624%0.24137%0.368CS..EExtended strand (participates in β ladder)trans-80.6122.4166.1-52.1179.2000107.4I10 M14 I187 L305 L334 V336I10-L204 HydrophobicContact CG2-CD1 3.94Å; M14-L204 HydrophobicContact CE-CB 3.54Å; M14-L204 HydrophobicContact CG-CB 4.12Å; M14-L204 HydrophobicContact CG-CD1 3.54Å; M14-L204 HydrophobicContact CG-CG 4.48Å; M14-L204 HydrophobicContact SD-CB 3.66Å; M14-L204 HydrophobicContact SD-CD1 3.69Å; M14-L204 HydrophobicContact SD-CG 4.27Å; I187-L204 HydrophobicContact CD1-CD1 3.74Å; I187-L204 HydrophobicContact CG1-CD1 3.98Å; I187-L204 HydrophobicContact CG2-CD1 4.22Å; L204-L305 HydrophobicContact CD2-CD1 3.76Å; L204-L305 HydrophobicContact CD2-CD2 3.96Å; L204-L305 HydrophobicContact CD2-CG 4.49Å; L204-L334 HydrophobicContact CD2-CD2 4.34Å; L204-V336 HydrophobicContact CD2-CG2 4.39Å
205R97.2Very high95.6Very high131 Ų13168.3 Ų68.349%0.49437%0.367SS..EExtended strand (participates in β ladder)trans-102.4-110.7-169.9-61.3-66.9-62.2-152.99111.2L335 E337R205-L335 HydrophobicContact CB-CB 4.07Å; R205-L335 HydrophobicContact CB-CD2 3.72Å; R205-L335 HydrophobicContact CB-CG 3.96Å; R205-L335 WeakPolarHBondContact CB-O 3.49Å; R205-L335 HydrophobicContact CG-CD2 4.09Å; R205-L335 HydrophobicContact CG-CG 4.3Å; R205-L335 PolarHBondContact N-O 2.85Å; R205-E337 WeakPolarHBondContact CD-OE2 3.48Å; R205-E337 HydrophobicContact CG-CB 3.8Å; R205-E337 IonicContact CZ-OE2 3.69Å; R205-E337 IonicContact NE-OE2 3.32Å; R205-E337 IonicContact NH1-OE2 3.51Å; R205-E337 PolarHBondContact NH1-OE2 3.03Å
206E97.9Very high95Very high60 Ų6068.6 Ų68.628%0.2836%0.357SS..EExtended strand (participates in β ladder)trans-98146.6179.1-177.963.1-147.600109.5L229 R232 I233 L335E206-L229 HydrophobicContact CB-CD1 3.8Å; E206-L229 HydrophobicContact CG-CD1 3.59Å; E206-L229 WeakPolarHBondContact O-CD1 3.25Å; E206-R232 HydrophobicContact CG-CB 4.47Å; E206-R232 IonicContact OE1-NH1 2.78Å; E206-R232 PolarHBondContact OE1-NH1 3.46Å; E206-R232 VanDerWaalsContact OE1-NH1 3.14Å; E206-I233 HydrophobicContact CB-CG2 3.51Å; E206-I233 HydrophobicContact CG-CG2 3.78Å; E206-L335 PolarHBondContact O-N 3.02Å
207Y98.6Very high94.6Very high50 Ų5065.5 Ų65.520%0.19634%0.34CS..EExtended strand (participates in β ladder)trans-136157.5174.170.7-88.8000110.8T11 M14 E15 Y209 A333T11-Y207 HydrophobicContact CG2-CD1 3.87Å; T11-Y207 HydrophobicContact CG2-CD2 3.45Å; T11-Y207 VanDerWaalsContact CG2-CD2 3.45Å; T11-Y207 HydrophobicContact CG2-CE1 4.15Å; T11-Y207 HydrophobicContact CG2-CE2 3.79Å; T11-Y207 HydrophobicContact CG2-CG 3.5Å; M14-Y207 HydrophobicContact CE-CD1 3.94Å; M14-Y207 HydrophobicContact CE-CE1 4.45Å; E15-Y207 WeakPolarHBondContact CG-OH 3.47Å; E15-Y207 VanDerWaalsContact OE1-CE1 3.31Å; E15-Y207 WeakPolarHBondContact OE1-CE1 3.4Å; E15-Y207 PolarHBondContact OE1-OH 3.43Å; Y207-Y209 AromaticContact CD2-CD2 3.91Å; Y207-Y209 HydrophobicContact CD2-CD2 3.91Å; Y207-Y209 AromaticContact CD2-CE2 3.67Å; Y207-Y209 HydrophobicContact CD2-CE2 3.67Å; Y207-Y209 AromaticContact CE2-CD2 3.86Å; Y207-Y209 HydrophobicContact CE2-CD2 3.86Å; Y207-Y209 AromaticContact CE2-CE2 3.66Å; Y207-Y209 HydrophobicContact CE2-CE2 3.66Å; Y207-A333 CarbonylContact C-O 3.52Å; Y207-A333 VanDerWaalsContact CA-O 3.24Å; Y207-A333 WeakPolarHBondContact CA-O 3.29Å
208V98.5Very high94.3Very high2 Ų262.4 Ų62.41%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-137.5142.7174.3-55.50000110.7A225 K228 L229 H332 A333V208-A225 HydrophobicContact CG2-CB 4.05Å; V208-A225 VanDerWaalsContact CG2-O 3.25Å; V208-A225 WeakPolarHBondContact CG2-O 3.34Å; V208-K228 HydrophobicContact CG1-CG 4.39Å; V208-L229 HydrophobicContact CG1-CB 4.15Å; V208-L229 HydrophobicContact CG1-CD1 4.24Å; V208-L229 HydrophobicContact CG2-CB 3.93Å; V208-H332 WeakPolarHBondContact O-CA 3.42Å; V208-H332 PolarHBondContact O-CD2 3.5Å; V208-A333 HydrophobicContact CG2-CB 4.07Å; V208-A333 PolarHBondContact N-O 2.79Å; V208-A333 PolarHBondContact O-N 3.43Å
209Y98.5Very high94.3Very high46 Ų4658.9 Ų58.918%0.1829%0.288CS..EExtended strand (participates in β ladder)trans-108.6145.6161.5-69.1-79.6000109.7M1 I4 N7 Q8 T11 Y207 G331 H332M1-Y209 HydrophobicContact CE-CD1 4.05Å; M1-Y209 HydrophobicContact SD-CD1 4.27Å; M1-Y209 HydrophobicContact SD-CE1 4.24Å; I4-Y209 HydrophobicContact CD1-CD1 3.87Å; I4-Y209 HydrophobicContact CD1-CE1 3.91Å; N7-Y209 PolarHBondContact O-OH 3.43Å; Q8-Y209 WeakPolarHBondContact CA-OH 3.19Å; Q8-Y209 PolarHBondContact N-OH 3.08Å; T11-Y209 HydrophobicContact CG2-CE2 3.91Å; T11-Y209 WeakPolarHBondContact CG2-OH 3.3Å; T11-Y209 WeakPolarHBondContact OG1-CE2 3.4Å; T11-Y209 PolarHBondContact OG1-OH 3.43Å; Y207-Y209 AromaticContact CD2-CD2 3.91Å; Y207-Y209 HydrophobicContact CD2-CD2 3.91Å; Y207-Y209 AromaticContact CD2-CE2 3.67Å; Y207-Y209 HydrophobicContact CD2-CE2 3.67Å; Y207-Y209 AromaticContact CE2-CD2 3.86Å; Y207-Y209 HydrophobicContact CE2-CD2 3.86Å; Y207-Y209 AromaticContact CE2-CE2 3.66Å; Y207-Y209 HydrophobicContact CE2-CE2 3.66Å; Y209-G331 WeakPolarHBondContact CA-O 3.2Å; Y209-H332 HydrophobicContact CD1-CB 3.9Å; Y209-H332 AromaticContact CD1-CD2 3.85Å; Y209-H332 HydrophobicContact CE1-CB 3.72Å; Y209-H332 AromaticContact CE1-CD2 3.35Å; Y209-H332 WeakPolarHBondContact CE1-CD2 3.05Å; Y209-H332 AromaticContact CE1-CG 3.74Å; Y209-H332 AromaticContact CE2-CD2 3.93Å; Y209-H332 AromaticContact CZ-CD2 3.38Å
210V98Very high94.4Very high17 Ų1751.8 Ų51.810%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-138158179.5-660000109.9A225 K228 L330 G331V210-A225 HydrophobicContact CG1-CB 4.44Å; V210-A225 HydrophobicContact CG2-CB 3.74Å; V210-K228 HydrophobicContact CG1-CD 3.61Å; V210-L330 WeakPolarHBondContact O-CA 3.13Å; V210-G331 PolarHBondContact N-O 3.07Å; V210-G331 PolarHBondContact O-N 3.38Å
211A96.5Very high94.5Very high75 Ų7549.7 Ų49.762%0.6224%0.244SC*.EExtended strand (participates in β ladder)trans-130.5150.1172.500000110G329 L330A211-G329 CarbonylContact C-O 3.48Å; A211-G329 WeakPolarHBondContact CA-O 3.18Å; A211-L330 HydrophobicContact CB-CD2 3.86Å
212Q93.4Very high94.6Very high18 Ų1844.9 Ų44.98%0.08422%0.223CC..  trans-133.3165.1-176.3-65.470.55100108.7P214 Q217 Y224 G329Q212-P214 WeakPolarHBondContact O-CD 3.35Å; Q212-Q217 HydrophobicContact CB-CB 3.97Å; Q212-Q217 HydrophobicContact CG-CB 4.47Å; Q212-Y224 HydrophobicContact CG-CD2 3.55Å; Q212-Y224 HydrophobicContact CG-CE2 3.7Å; Q212-Y224 HydrophobicContact CG-CG 4.14Å; Q212-G329 PolarHBondContact N-O 3.35Å; Q212-G329 PolarHBondContact OE1-O 2.9Å; Q212-G329 VanDerWaalsContact OE1-O 3.12Å
213D91.4Very high94.6Very high87 Ų8743.7 Ų43.747%0.46521%0.213SC..  trans-62.7116.6168.9-171-25.2000109.8K215 D216 Q217 L218D213-K215 PolarHBondContact O-N 3.21Å; D213-K215 VanDerWaalsContact O-N 3.17Å; D213-K215 WeakPolarHBondContact OD1-CB 3.42Å; D213-K215 PolarHBondContact OD1-N 3.05Å; D213-D216 PolarHBondContact O-N 3.36Å; D213-Q217 CarbonylContact O-C 3.55Å; D213-Q217 PolarHBondContact O-N 2.91Å; D213-L218 PolarHBondContact O-N 3.26Å
214P87.7Confident94.7Very high31 Ų3141.1 Ų41.120%0.20120%0.204CC..THydrogen-bonded Turntrans-61.1-21.7177.9-23.936.3000113.4S84 Q212 L218S84-P214 WeakPolarHBondContact OG-CB 3.45Å; Q212-P214 WeakPolarHBondContact O-CD 3.35Å; P214-L218 HydrophobicContact CB-CD1 4.09Å; P214-L218 WeakPolarHBondContact O-CB 3.4Å
215K83.6Confident94.7Very high133 Ų13338.9 Ų38.958%0.57819%0.192SC*.THydrogen-bonded Turntrans-71.7-49-178.2-169.3177.4178.6-1790111.7R95 D213R95-K215 VanDerWaalsContact CZ-O 3.24Å; R95-K215 PolarHBondContact NH1-O 2.88Å; R95-K215 VanDerWaalsContact NH1-O 3.1Å; R95-K215 PolarHBondContact NH2-O 3.35Å; D213-K215 PolarHBondContact O-N 3.21Å; D213-K215 VanDerWaalsContact O-N 3.17Å; D213-K215 WeakPolarHBondContact OD1-CB 3.42Å; D213-K215 PolarHBondContact OD1-N 3.05Å
216D85.1Confident94.8Very high90 Ų9032.7 Ų32.748%0.48117%0.169SC..THydrogen-bonded Turntrans-117.5-15.8-171.6-68.3-33.6000114.7R95 D213R95-D216 IonicContact CZ-OD1 3.87Å; R95-D216 IonicContact NH1-OD1 2.74Å; R95-D216 PolarHBondContact NH1-OD1 3.08Å; D213-D216 PolarHBondContact O-N 3.36Å
217Q87.5Confident94.8Very high32 Ų3230 Ų3015%0.1516%0.157CC..  trans-132.912.2-166-61.7-178.4-12.400113.1Q212 D213 L219 L220 Y224Q212-Q217 HydrophobicContact CB-CB 3.97Å; Q212-Q217 HydrophobicContact CG-CB 4.47Å; D213-Q217 CarbonylContact O-C 3.55Å; D213-Q217 PolarHBondContact O-N 2.91Å; Q217-L219 PolarHBondContact O-N 3.32Å; Q217-L220 HydrophobicContact CB-CD1 4.17Å; Q217-L220 HydrophobicContact CG-CD1 4.2Å; Q217-L220 WeakPolarHBondContact O-CB 3.4Å; Q217-L220 PolarHBondContact O-N 3.28Å; Q217-Y224 PolarHBondContact OE1-OH 3.05Å
218L90.8Very high94.8Very high5 Ų531.8 Ų31.83%0.02617%0.165CC..G310 helixtrans-50.1-40.9-171.6-176.8145.3000114E82 M89 D213 P214E82-L218 HydrophobicContact CB-CD1 4.49Å; E82-L218 HydrophobicContact CG-CD1 3.28Å; M89-L218 HydrophobicContact CE-CD2 3.62Å; M89-L218 HydrophobicContact SD-CD2 3.79Å; D213-L218 PolarHBondContact O-N 3.26Å; P214-L218 HydrophobicContact CB-CD1 4.09Å; P214-L218 WeakPolarHBondContact O-CB 3.4Å
219L95.7Very high94.8Very high3 Ų331.7 Ų31.72%0.01617%0.165CC..G310 helixtrans-93.65.4-173.1-70.8175.4000113.6M89 A93 L96 Q217 G221 Q252 N256 C325M89-L219 HydrophobicContact CE-CD2 3.64Å; A93-L219 VanDerWaalsContact CA-CD1 3.41Å; A93-L219 HydrophobicContact CB-CD1 3.55Å; L96-L219 HydrophobicContact CD2-CB 3.57Å; Q217-L219 PolarHBondContact O-N 3.32Å; L219-G221 VanDerWaalsContact C-N 3.34Å; L219-Q252 HydrophobicContact CB-CG 3.74Å; L219-Q252 HydrophobicContact CD1-CB 4.31Å; L219-Q252 HydrophobicContact CD1-CG 4.24Å; L219-Q252 HydrophobicContact CD2-CG 4.25Å; L219-Q252 HydrophobicContact CG-CG 4.3Å; L219-N256 PolarHBondContact O-ND2 3.1Å; L219-C325 HydrophobicContact CD2-CB 4.43Å
220L97.5Very high94.8Very high3 Ų329.8 Ų29.82%0.01616%0.158CC..G310 helixtrans-9111.2179.3-71.1176.1000113.8L96 F100 Q217 P222 A223 Y224 N256 A259 F265L96-L220 HydrophobicContact CD1-CD1 4.03Å; L96-L220 HydrophobicContact CD1-CD2 3.9Å; L96-L220 HydrophobicContact CD1-CG 3.79Å; L96-L220 HydrophobicContact CD2-CD2 4.18Å; L96-L220 HydrophobicContact CD2-CG 4.31Å; F100-L220 HydrophobicContact CE2-CD1 3.92Å; F100-L220 HydrophobicContact CE2-CD2 3.99Å; F100-L220 HydrophobicContact CE2-CG 4.47Å; F100-L220 HydrophobicContact CZ-CD1 4.02Å; F100-L220 HydrophobicContact CZ-CD2 4.14Å; Q217-L220 HydrophobicContact CB-CD1 4.17Å; Q217-L220 HydrophobicContact CG-CD1 4.2Å; Q217-L220 WeakPolarHBondContact O-CB 3.4Å; Q217-L220 PolarHBondContact O-N 3.28Å; L220-P222 VanDerWaalsContact C-N 3.32Å; L220-P222 VanDerWaalsContact O-N 3.15Å; L220-A223 HydrophobicContact CB-CB 4.41Å; L220-A223 HydrophobicContact CD2-CB 4.27Å; L220-A223 WeakPolarHBondContact O-CB 3.46Å; L220-A223 PolarHBondContact O-N 3.43Å; L220-Y224 HydrophobicContact CB-CD2 4.14Å; L220-Y224 HydrophobicContact CB-CE2 3.96Å; L220-Y224 HydrophobicContact CD1-CE2 4.46Å; L220-Y224 WeakPolarHBondContact O-CD2 3.46Å; L220-Y224 PolarHBondContact O-N 2.95Å; L220-N256 WeakPolarHBondContact CA-OD1 3.32Å; L220-N256 PolarHBondContact O-OD1 3.36Å; L220-A259 HydrophobicContact CD2-CB 4.24Å; L220-F265 HydrophobicContact CD1-CE2 3.85Å; L220-F265 HydrophobicContact CD1-CZ 4.19Å
221G97.7Very high94.7Very high0 Ų033.2 Ų33.20%018%0.176CC..Hα-helixtrans-40.4-52.9178.900000114.3L219 A223 Y224 A225L219-G221 VanDerWaalsContact C-N 3.34Å; G221-A223 PolarHBondContact O-N 3.26Å; G221-Y224 PolarHBondContact O-N 3.15Å; G221-A225 VanDerWaalsContact O-CB 3.24Å; G221-A225 WeakPolarHBondContact O-CB 3.34Å; G221-A225 PolarHBondContact O-N 3.12Å
222P98.4Very high94.7Very high0 Ų036.2 Ų36.20%017%0.171CC..Hα-helixtrans-59-41176.1-26.734.5000115.2L220 Y224 A225 I226 M245 N256 S323 C325L220-P222 VanDerWaalsContact C-N 3.32Å; L220-P222 VanDerWaalsContact O-N 3.15Å; P222-Y224 PolarHBondContact O-N 3.46Å; P222-A225 PolarHBondContact O-N 2.97Å; P222-I226 HydrophobicContact CB-CD1 4.18Å; P222-I226 WeakPolarHBondContact O-CB 3.26Å; P222-I226 WeakPolarHBondContact O-CG1 3.42Å; P222-I226 PolarHBondContact O-N 2.97Å; P222-M245 HydrophobicContact CB-CE 3.69Å; P222-M245 HydrophobicContact CG-CE 4.23Å; P222-N256 HydrophobicContact CB-CB 4.45Å; P222-N256 WeakPolarHBondContact CB-OD1 3.39Å; P222-N256 VanDerWaalsContact CD-OD1 3.3Å; P222-N256 WeakPolarHBondContact CD-OD1 3.38Å; P222-S323 WeakPolarHBondContact CA-OG 3.42Å; P222-S323 WeakPolarHBondContact CB-OG 3.3Å; P222-C325 HydrophobicContact CG-CB 4.44Å
223A98.2Very high94.9Very high0 Ų037.3 Ų37.30%018%0.177CC..Hα-helixtrans-63.2-21.8178.600000113.4L220 G221 P227 N256 A259 F265L220-A223 HydrophobicContact CB-CB 4.41Å; L220-A223 HydrophobicContact CD2-CB 4.27Å; L220-A223 WeakPolarHBondContact O-CB 3.46Å; L220-A223 PolarHBondContact O-N 3.43Å; G221-A223 PolarHBondContact O-N 3.26Å; A223-P227 VanDerWaalsContact O-CD 3.29Å; A223-P227 WeakPolarHBondContact O-CD 3.12Å; A223-P227 VanDerWaalsContact O-CG 3.24Å; A223-P227 WeakPolarHBondContact O-CG 3.13Å; A223-N256 WeakPolarHBondContact CB-OD1 3.43Å; A223-N256 PolarHBondContact N-OD1 2.88Å; A223-A259 HydrophobicContact CB-CB 3.71Å; A223-F265 HydrophobicContact CB-CE1 4.05Å; A223-F265 HydrophobicContact CB-CZ 4.16Å
224Y98.4Very high95.2Very high34 Ų3442.4 Ų42.413%0.13320%0.195CC..Hα-helixtrans-97-36.8171.2-71.5-93.1000113Q212 Q217 L220 G221 P222 K228 F265 Y269 L270Q212-Y224 HydrophobicContact CG-CD2 3.55Å; Q212-Y224 HydrophobicContact CG-CE2 3.7Å; Q212-Y224 HydrophobicContact CG-CG 4.14Å; Q217-Y224 PolarHBondContact OE1-OH 3.05Å; L220-Y224 HydrophobicContact CB-CD2 4.14Å; L220-Y224 HydrophobicContact CB-CE2 3.96Å; L220-Y224 HydrophobicContact CD1-CE2 4.46Å; L220-Y224 WeakPolarHBondContact O-CD2 3.46Å; L220-Y224 PolarHBondContact O-N 2.95Å; G221-Y224 PolarHBondContact O-N 3.15Å; P222-Y224 PolarHBondContact O-N 3.46Å; Y224-K228 WeakPolarHBondContact O-CB 3.49Å; Y224-K228 PolarHBondContact O-N 3.42Å; Y224-F265 HydrophobicContact CD2-CZ 4.29Å; Y224-F265 HydrophobicContact CE2-CE1 4.47Å; Y224-F265 HydrophobicContact CE2-CE2 4.43Å; Y224-F265 AromaticContact CE2-CZ 3.61Å; Y224-F265 HydrophobicContact CE2-CZ 3.61Å; Y224-F265 AromaticContact CZ-CZ 3.75Å; Y224-Y269 WeakPolarHBondContact OH-CB 3.46Å; Y224-L270 HydrophobicContact CD1-CD2 3.57Å; Y224-L270 HydrophobicContact CE1-CD2 3.89Å; Y224-L270 HydrophobicContact CG-CD2 4.15Å
225A98.5Very high95.7Very high0 Ų042.7 Ų42.70%019%0.194CC..Hα-helixtrans-72.3-47.2-175.100000112.2V208 V210 G221 P222 K228 L229 A333V208-A225 HydrophobicContact CG2-CB 4.05Å; V208-A225 VanDerWaalsContact CG2-O 3.25Å; V208-A225 WeakPolarHBondContact CG2-O 3.34Å; V210-A225 HydrophobicContact CG1-CB 4.44Å; V210-A225 HydrophobicContact CG2-CB 3.74Å; G221-A225 VanDerWaalsContact O-CB 3.24Å; G221-A225 WeakPolarHBondContact O-CB 3.34Å; G221-A225 PolarHBondContact O-N 3.12Å; P222-A225 PolarHBondContact O-N 2.97Å; A225-K228 PolarHBondContact O-N 3.23Å; A225-L229 WeakPolarHBondContact O-CB 3.41Å; A225-L229 PolarHBondContact O-N 3.49Å; A225-A333 HydrophobicContact CB-CB 3.65Å
226I98.7Very high96.3Very high0 Ų043.2 Ų43.20%020%0.196CC..Hα-helixtrans-60.4-49.4-176.9-64.8173000111.3P222 K228 L229 L230 L237 M245 L260 I279 I321 A333P222-I226 HydrophobicContact CB-CD1 4.18Å; P222-I226 WeakPolarHBondContact O-CB 3.26Å; P222-I226 WeakPolarHBondContact O-CG1 3.42Å; P222-I226 PolarHBondContact O-N 2.97Å; I226-K228 VanDerWaalsContact C-N 3.35Å; I226-K228 PolarHBondContact O-N 2.7Å; I226-L229 PolarHBondContact O-N 3.01Å; I226-L230 HydrophobicContact CG2-CD1 3.8Å; I226-L230 HydrophobicContact CG2-CG 4.31Å; I226-L230 WeakPolarHBondContact O-CB 3.44Å; I226-L230 VanDerWaalsContact O-CG 3.3Å; I226-L230 WeakPolarHBondContact O-CG 3.33Å; I226-L230 PolarHBondContact O-N 2.92Å; I226-L237 HydrophobicContact CG2-CD2 3.9Å; I226-M245 HydrophobicContact CD1-CE 4.27Å; I226-M245 HydrophobicContact CD1-SD 4.24Å; I226-L260 HydrophobicContact CD1-CD1 4.25Å; I226-I279 HydrophobicContact CD1-CD1 4.24Å; I226-I321 HydrophobicContact CD1-CG2 4.41Å; I226-I321 HydrophobicContact CG1-CG2 4.07Å; I226-I321 HydrophobicContact CG2-CD1 4.21Å; I226-A333 HydrophobicContact CG1-CB 4.24Å
227P98.3Very high96.9Very high4 Ų439.6 Ų39.63%0.02618%0.177CC..Hα-helixtrans-64.2-40.6179.6-21.835.8000112.1A223 L229 L230 D231 L260 L270 V276A223-P227 VanDerWaalsContact O-CD 3.29Å; A223-P227 WeakPolarHBondContact O-CD 3.12Å; A223-P227 VanDerWaalsContact O-CG 3.24Å; A223-P227 WeakPolarHBondContact O-CG 3.13Å; P227-L229 VanDerWaalsContact C-N 3.32Å; P227-L229 PolarHBondContact O-N 3.05Å; P227-L230 PolarHBondContact O-N 3.45Å; P227-D231 WeakPolarHBondContact O-CB 3.42Å; P227-D231 PolarHBondContact O-N 3.25Å; P227-L260 HydrophobicContact CG-CD2 3.59Å; P227-L270 HydrophobicContact CB-CD1 4.3Å; P227-L270 HydrophobicContact CG-CD1 3.95Å; P227-V276 HydrophobicContact CB-CG1 4.2Å; P227-V276 HydrophobicContact CB-CG2 3.81Å; P227-V276 HydrophobicContact CG-CB 4.32Å; P227-V276 HydrophobicContact CG-CG1 4.01Å; P227-V276 HydrophobicContact CG-CG2 3.52Å
228K98.2Very high97.4Very high87 Ų8742.1 Ų42.138%0.37820%0.198SC..Hα-helixtrans-62.5-39.7177.4-173.6178.9-176.5179.20112.1V208 V210 Y224 A225 I226 R232V208-K228 HydrophobicContact CG1-CG 4.39Å; V210-K228 HydrophobicContact CG1-CD 3.61Å; Y224-K228 WeakPolarHBondContact O-CB 3.49Å; Y224-K228 PolarHBondContact O-N 3.42Å; A225-K228 PolarHBondContact O-N 3.23Å; I226-K228 VanDerWaalsContact C-N 3.35Å; I226-K228 PolarHBondContact O-N 2.7Å; K228-R232 WeakPolarHBondContact O-CG 3.42Å; K228-R232 PolarHBondContact O-N 3.19Å
229L98.5Very high97.7Very high0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-63.3-53.2174.317562.9000110.6E206 V208 A225 I226 P227 D231 R232 I233 I321 A333 L335E206-L229 HydrophobicContact CB-CD1 3.8Å; E206-L229 HydrophobicContact CG-CD1 3.59Å; E206-L229 WeakPolarHBondContact O-CD1 3.25Å; V208-L229 HydrophobicContact CG1-CB 4.15Å; V208-L229 HydrophobicContact CG1-CD1 4.24Å; V208-L229 HydrophobicContact CG2-CB 3.93Å; A225-L229 WeakPolarHBondContact O-CB 3.41Å; A225-L229 PolarHBondContact O-N 3.49Å; I226-L229 PolarHBondContact O-N 3.01Å; P227-L229 VanDerWaalsContact C-N 3.32Å; P227-L229 PolarHBondContact O-N 3.05Å; L229-D231 VanDerWaalsContact C-N 3.31Å; L229-D231 PolarHBondContact O-N 3.13Å; L229-R232 WeakPolarHBondContact O-CB 3.17Å; L229-R232 PolarHBondContact O-N 3.38Å; L229-R232 VanDerWaalsContact O-N 3.1Å; L229-I233 HydrophobicContact CD1-CG2 4.46Å; L229-I233 HydrophobicContact CG-CD1 4.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.36Å; L229-I233 PolarHBondContact O-N 2.96Å; L229-I321 HydrophobicContact CD2-CD1 4.37Å; L229-I321 HydrophobicContact CD2-CG1 4.38Å; L229-A333 HydrophobicContact CB-CB 4.24Å; L229-A333 HydrophobicContact CD2-CB 3.8Å; L229-L335 HydrophobicContact CD1-CB 4.42Å; L229-L335 HydrophobicContact CD2-CB 4.21Å
230L98.3Very high97.8Very high6 Ų644.9 Ų44.93%0.03121%0.213CC..Hα-helixtrans-56.7-41.9-179.2-73.2173.2000112.5I226 P227 R232 I233 K234 M235 L237 I240 V276 I321I226-L230 HydrophobicContact CG2-CD1 3.8Å; I226-L230 HydrophobicContact CG2-CG 4.31Å; I226-L230 WeakPolarHBondContact O-CB 3.44Å; I226-L230 VanDerWaalsContact O-CG 3.3Å; I226-L230 WeakPolarHBondContact O-CG 3.33Å; I226-L230 PolarHBondContact O-N 2.92Å; P227-L230 PolarHBondContact O-N 3.45Å; L230-R232 PolarHBondContact O-N 2.92Å; L230-I233 HydrophobicContact CD2-CD1 4.37Å; L230-I233 WeakPolarHBondContact O-CG1 3.34Å; L230-I233 PolarHBondContact O-N 3.38Å; L230-K234 WeakPolarHBondContact O-CA 3.12Å; L230-K234 PolarHBondContact O-N 2.92Å; L230-M235 WeakPolarHBondContact CB-O 3.26Å; L230-M235 HydrophobicContact CD2-CB 4.06Å; L230-M235 PolarHBondContact O-N 2.83Å; L230-M235 VanDerWaalsContact O-N 3.08Å; L230-L237 HydrophobicContact CD1-CD2 3.69Å; L230-L237 HydrophobicContact CD1-CG 3.89Å; L230-I240 HydrophobicContact CD2-CD1 4.48Å; L230-I240 HydrophobicContact CD2-CG1 4.42Å; L230-V276 HydrophobicContact CD1-CG1 4.37Å; L230-I321 HydrophobicContact CD2-CD1 3.9Å; L230-I321 HydrophobicContact CG-CD1 4.27Å
231D96.9Very high97.9Very high90 Ų9047.2 Ų47.248%0.48123%0.225SC..Hα-helixtrans-62-41.9176.3-71.7-23.8000112.5P227 L229 I233 K234 K272P227-D231 WeakPolarHBondContact O-CB 3.42Å; P227-D231 PolarHBondContact O-N 3.25Å; L229-D231 VanDerWaalsContact C-N 3.31Å; L229-D231 PolarHBondContact O-N 3.13Å; D231-I233 VanDerWaalsContact C-N 3.34Å; D231-I233 PolarHBondContact O-N 3.08Å; D231-K234 PolarHBondContact O-N 2.85Å; D231-K272 IonicContact OD1-NZ 2.76Å; D231-K272 PolarHBondContact OD1-NZ 3.2Å; D231-K272 WeakPolarHBondContact OD2-CE 3.42Å; D231-K272 IonicContact OD2-NZ 3.46Å; D231-K272 PolarHBondContact OD2-NZ 3.08Å
232R97.1Very high97.9Very high137 Ų13747.2 Ų47.252%0.51723%0.225SC..Hα-helixtrans-63.6-40.2179.2-76.8179.9175.9-166.1-1.3112.4E206 K228 L229 L230E206-R232 HydrophobicContact CG-CB 4.47Å; E206-R232 IonicContact OE1-NH1 2.78Å; E206-R232 PolarHBondContact OE1-NH1 3.46Å; E206-R232 VanDerWaalsContact OE1-NH1 3.14Å; K228-R232 WeakPolarHBondContact O-CG 3.42Å; K228-R232 PolarHBondContact O-N 3.19Å; L229-R232 WeakPolarHBondContact O-CB 3.17Å; L229-R232 PolarHBondContact O-N 3.38Å; L229-R232 VanDerWaalsContact O-N 3.1Å; L230-R232 PolarHBondContact O-N 2.92Å
233I96.6Very high98Very high42 Ų4247.2 Ų47.222%0.21523%0.225CC..Hα-helixtrans-92.6-2.6-177.765.3-175.5000113.3E206 L229 L230 D231 M235 L335E206-I233 HydrophobicContact CB-CG2 3.51Å; E206-I233 HydrophobicContact CG-CG2 3.78Å; L229-I233 HydrophobicContact CD1-CG2 4.46Å; L229-I233 HydrophobicContact CG-CD1 4.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.36Å; L229-I233 PolarHBondContact O-N 2.96Å; L230-I233 HydrophobicContact CD2-CD1 4.37Å; L230-I233 WeakPolarHBondContact O-CG1 3.34Å; L230-I233 PolarHBondContact O-N 3.38Å; D231-I233 VanDerWaalsContact C-N 3.34Å; D231-I233 PolarHBondContact O-N 3.08Å; I233-M235 VanDerWaalsContact C-N 3.29Å; I233-M235 HydrophobicContact CB-CG 4.46Å; I233-M235 HydrophobicContact CD1-CB 3.97Å; I233-M235 HydrophobicContact CD1-CG 4.02Å; I233-M235 HydrophobicContact CD1-SD 3.71Å; I233-M235 HydrophobicContact CG1-CB 3.87Å; I233-M235 HydrophobicContact CG1-CG 3.85Å; I233-M235 HydrophobicContact CG1-SD 4.12Å; I233-M235 PolarHBondContact O-N 3.14Å; I233-L335 HydrophobicContact CD1-CB 4.47Å; I233-L335 HydrophobicContact CD1-CD1 4.23Å; I233-L335 HydrophobicContact CD1-CD2 3.7Å; I233-L335 HydrophobicContact CD1-CG 4.35Å; I233-L335 HydrophobicContact CG2-CD2 4.43Å
234K97.1Very high98Very high193 Ų19347.2 Ų47.284%0.83923%0.225SC*.THydrogen-bonded Turntrans55.240.4-177.7-54.7179.3-179.5178.50113.3L230 D231L230-K234 WeakPolarHBondContact O-CA 3.12Å; L230-K234 PolarHBondContact O-N 2.92Å; D231-K234 PolarHBondContact O-N 2.85Å
235M97.7Very high98Very high37 Ų3745.6 Ų45.618%0.18222%0.219CC..  trans-111.8165.2175.7-65.2179.766.200111L230 I233 D239 I240 Y319 L335L230-M235 WeakPolarHBondContact CB-O 3.26Å; L230-M235 HydrophobicContact CD2-CB 4.06Å; L230-M235 PolarHBondContact O-N 2.83Å; L230-M235 VanDerWaalsContact O-N 3.08Å; I233-M235 VanDerWaalsContact C-N 3.29Å; I233-M235 HydrophobicContact CB-CG 4.46Å; I233-M235 HydrophobicContact CD1-CB 3.97Å; I233-M235 HydrophobicContact CD1-CG 4.02Å; I233-M235 HydrophobicContact CD1-SD 3.71Å; I233-M235 HydrophobicContact CG1-CB 3.87Å; I233-M235 HydrophobicContact CG1-CG 3.85Å; I233-M235 HydrophobicContact CG1-SD 4.12Å; I233-M235 PolarHBondContact O-N 3.14Å; M235-D239 HydrophobicContact CB-CB 4.46Å; M235-D239 HydrophobicContact CE-CB 3.49Å; M235-D239 VanDerWaalsContact CE-CB 3.49Å; M235-I240 HydrophobicContact CE-CD1 3.9Å; M235-Y319 HydrophobicContact CE-CD1 4.44Å; M235-Y319 HydrophobicContact CE-CD2 3.57Å; M235-Y319 HydrophobicContact CE-CE2 3.9Å; M235-Y319 HydrophobicContact CE-CG 3.87Å; M235-L335 HydrophobicContact SD-CD2 4.24Å
236K97.4Very high98Very high145 Ų14545.6 Ų45.663%0.6322%0.219SC*.  trans-112.7163.5174.7-62.8176.9-176.7175.80110.2S238 D239K236-S238 WeakPolarHBondContact CB-OG 3.44Å; K236-S238 PolarHBondContact O-N 3.12Å; K236-D239 PolarHBondContact N-OD2 3.22Å; K236-D239 WeakPolarHBondContact O-CB 3.34Å; K236-D239 PolarHBondContact O-N 3.44Å
237L97.8Very high98Very high13 Ų1345.6 Ų45.67%0.06822%0.219CC..G310 helixtrans-56.3-31.9172.7-71.4174.2000112.6I226 L230 D239 I240 F243 V276 G277 I279I226-L237 HydrophobicContact CG2-CD2 3.9Å; L230-L237 HydrophobicContact CD1-CD2 3.69Å; L230-L237 HydrophobicContact CD1-CG 3.89Å; L237-D239 PolarHBondContact O-N 3.33Å; L237-I240 PolarHBondContact O-N 2.68Å; L237-F243 HydrophobicContact CD2-CE1 3.77Å; L237-F243 HydrophobicContact CD2-CZ 3.81Å; L237-V276 HydrophobicContact CD1-CG1 3.97Å; L237-V276 HydrophobicContact CG-CG1 4.27Å; L237-G277 WeakPolarHBondContact CD1-O 3.39Å; L237-I279 HydrophobicContact CD1-CG1 4.31Å; L237-I279 HydrophobicContact CD2-CD1 4.47Å; L237-I279 HydrophobicContact CD2-CG1 4.04Å
238S97.2Very high97.9Very high85 Ų8545.7 Ų45.759%0.59422%0.22SC*.G310 helixtrans-63.6-22.4177.3540000114K236 I240K236-S238 WeakPolarHBondContact CB-OG 3.44Å; K236-S238 PolarHBondContact O-N 3.12Å; S238-I240 VanDerWaalsContact C-N 3.26Å; S238-I240 PolarHBondContact O-N 3.43Å
239D97.9Very high97.9Very high67 Ų6742.2 Ų42.236%0.35821%0.205SC..G310 helixtrans-85.6-3.2-177.8-50.7-31.4000112.1M235 K236 L237M235-D239 HydrophobicContact CB-CB 4.46Å; M235-D239 HydrophobicContact CE-CB 3.49Å; M235-D239 VanDerWaalsContact CE-CB 3.49Å; K236-D239 PolarHBondContact N-OD2 3.22Å; K236-D239 WeakPolarHBondContact O-CB 3.34Å; K236-D239 PolarHBondContact O-N 3.44Å; L237-D239 PolarHBondContact O-N 3.33Å
240I98.6Very high97.9Very high0 Ų042.2 Ų42.20%021%0.205CC..  trans-104130.7-176.8-49.2-57.7000109.4L230 M235 L237 S238 V242 F243 K283 I321 L335L230-I240 HydrophobicContact CD2-CD1 4.48Å; L230-I240 HydrophobicContact CD2-CG1 4.42Å; M235-I240 HydrophobicContact CE-CD1 3.9Å; L237-I240 PolarHBondContact O-N 2.68Å; S238-I240 VanDerWaalsContact C-N 3.26Å; S238-I240 PolarHBondContact O-N 3.43Å; I240-V242 WeakPolarHBondContact CG2-O 3.4Å; I240-F243 HydrophobicContact CB-CE1 4.15Å; I240-F243 HydrophobicContact CB-CE2 3.72Å; I240-F243 HydrophobicContact CB-CZ 3.46Å; I240-F243 VanDerWaalsContact CB-CZ 3.46Å; I240-F243 HydrophobicContact CG1-CE1 4.46Å; I240-F243 HydrophobicContact CG1-CZ 4.05Å; I240-F243 HydrophobicContact CG2-CD1 4.26Å; I240-F243 HydrophobicContact CG2-CD2 4.05Å; I240-F243 HydrophobicContact CG2-CE1 3.86Å; I240-F243 HydrophobicContact CG2-CE2 3.63Å; I240-F243 HydrophobicContact CG2-CG 4.36Å; I240-F243 HydrophobicContact CG2-CZ 3.54Å; I240-K283 WeakPolarHBondContact O-CD 3.5Å; I240-K283 PolarHBondContact O-NZ 2.71Å; I240-I321 HydrophobicContact CD1-CD1 3.92Å; I240-I321 HydrophobicContact CD1-CG1 3.95Å; I240-I321 HydrophobicContact CG1-CD1 3.74Å; I240-I321 HydrophobicContact CG1-CG1 4.05Å; I240-I321 HydrophobicContact CG2-CB 4.26Å; I240-I321 HydrophobicContact CG2-CD1 4.43Å; I240-I321 HydrophobicContact CG2-CG1 3.98Å; I240-L335 HydrophobicContact CD1-CD1 3.99Å
241D98.6Very high97.9Very high51 Ų5141.9 Ų41.927%0.27320%0.203SC..SBendtrans-95.6-34.8-176.4-58.2-53.2000111.9K283 L312 K318 Y319D241-K283 WeakPolarHBondContact O-CB 3.3Å; D241-K283 WeakPolarHBondContact O-CD 3.38Å; D241-K283 VanDerWaalsContact O-CG 3.28Å; D241-K283 WeakPolarHBondContact O-CG 3.43Å; D241-K283 IonicContact OD1-NZ 3.51Å; D241-L312 HydrophobicContact CB-CD2 4.41Å; D241-K318 PolarHBondContact OD2-N 3.27Å; D241-Y319 PolarHBondContact N-O 3.11Å; D241-Y319 PolarHBondContact OD2-N 3.35Å
242V98.7Very high97.9Very high0 Ų037.6 Ų37.60%018%0.18CC..EExtended strand (participates in β ladder)trans-128.2129.6-175.2169.60000110.2I240 E244 A308 R311 L312 Y319 A320 I321I240-V242 WeakPolarHBondContact CG2-O 3.4Å; V242-E244 HydrophobicContact CG1-CG 4.28Å; V242-A308 HydrophobicContact CG1-CB 4.47Å; V242-R311 HydrophobicContact CG1-CB 3.9Å; V242-R311 HydrophobicContact CG2-CB 4.01Å; V242-L312 HydrophobicContact CB-CD2 4.02Å; V242-L312 HydrophobicContact CB-CG 4.36Å; V242-L312 HydrophobicContact CG2-CD2 3.79Å; V242-L312 HydrophobicContact CG2-CG 4.22Å; V242-Y319 PolarHBondContact N-O 3.02Å; V242-A320 HydrophobicContact CB-CB 3.77Å; V242-A320 HydrophobicContact CG1-CB 3.97Å; V242-A320 CarbonylContact O-C 3.46Å; V242-A320 WeakPolarHBondContact O-CA 3.24Å; V242-A320 WeakPolarHBondContact O-CB 3.2Å; V242-I321 PolarHBondContact O-N 3.1Å
243F98.8Very high98Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-115.7123169.6-66.7-94.8000109.1L237 I240 I279 K283 L284 N285 R311 I321L237-F243 HydrophobicContact CD2-CE1 3.77Å; L237-F243 HydrophobicContact CD2-CZ 3.81Å; I240-F243 HydrophobicContact CB-CE1 4.15Å; I240-F243 HydrophobicContact CB-CE2 3.72Å; I240-F243 HydrophobicContact CB-CZ 3.46Å; I240-F243 VanDerWaalsContact CB-CZ 3.46Å; I240-F243 HydrophobicContact CG1-CE1 4.46Å; I240-F243 HydrophobicContact CG1-CZ 4.05Å; I240-F243 HydrophobicContact CG2-CD1 4.26Å; I240-F243 HydrophobicContact CG2-CD2 4.05Å; I240-F243 HydrophobicContact CG2-CE1 3.86Å; I240-F243 HydrophobicContact CG2-CE2 3.63Å; I240-F243 HydrophobicContact CG2-CG 4.36Å; I240-F243 HydrophobicContact CG2-CZ 3.54Å; F243-I279 HydrophobicContact CB-CG2 4.19Å; F243-I279 HydrophobicContact CD1-CD1 3.84Å; F243-I279 HydrophobicContact CD1-CG1 4.29Å; F243-I279 HydrophobicContact CD1-CG2 4.11Å; F243-I279 HydrophobicContact CD2-CG2 3.64Å; F243-I279 HydrophobicContact CE1-CD1 3.89Å; F243-I279 HydrophobicContact CE1-CG1 4.01Å; F243-I279 HydrophobicContact CE1-CG2 4.38Å; F243-I279 HydrophobicContact CE2-CG2 3.94Å; F243-I279 HydrophobicContact CG-CD1 4.47Å; F243-I279 HydrophobicContact CG-CG2 3.72Å; F243-I279 HydrophobicContact CZ-CG1 4.2Å; F243-I279 HydrophobicContact CZ-CG2 4.28Å; F243-K283 HydrophobicContact CD2-CB 3.96Å; F243-K283 PolarHBondContact N-O 3.42Å; F243-L284 HydrophobicContact CB-CD1 3.84Å; F243-L284 WeakPolarHBondContact O-CA 3.47Å; F243-N285 PolarHBondContact O-N 3.36Å; F243-N285 PolarHBondContact O-OD1 3.42Å; F243-R311 PolarHBondContact O-NH1 3.21Å; F243-I321 HydrophobicContact CD1-CB 4.06Å; F243-I321 HydrophobicContact CE1-CB 4.23Å; F243-I321 HydrophobicContact CE1-CD1 4.22Å
244E98.8Very high98.1Very high0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-116101.6170.1-76.1-63134.400108.8V242 N285 L304 H307 A308 R311 I321 V322 S323V242-E244 HydrophobicContact CG1-CG 4.28Å; E244-N285 VanDerWaalsContact CA-OD1 3.29Å; E244-N285 WeakPolarHBondContact CA-OD1 3.47Å; E244-N285 WeakPolarHBondContact OE1-CA 3.34Å; E244-L304 HydrophobicContact CB-CD2 4.18Å; E244-H307 HydrophobicContact CG-CB 4.05Å; E244-H307 IonicContact OE2-ND1 3.24Å; E244-A308 HydrophobicContact CB-CB 4.1Å; E244-A308 HydrophobicContact CG-CB 3.76Å; E244-R311 WeakPolarHBondContact OE1-CD 3.17Å; E244-R311 IonicContact OE1-CZ 2.97Å; E244-R311 IonicContact OE1-NE 3.25Å; E244-R311 IonicContact OE1-NH1 2.77Å; E244-R311 PolarHBondContact OE1-NH1 3.23Å; E244-I321 PolarHBondContact N-O 2.99Å; E244-V322 HydrophobicContact CB-CG2 4.42Å; E244-V322 CarbonylContact O-C 3.51Å; E244-V322 VanDerWaalsContact O-CA 3.3Å; E244-V322 WeakPolarHBondContact O-CA 3.29Å; E244-S323 PolarHBondContact O-N 3.34Å
245M98.6Very high98.1Very high0 Ų020.7 Ų20.70%011%0.11CC..EExtended strand (participates in β ladder)trans-111.5138.1-177.2-66179.362.400111.2P222 I226 E247 L253 N256 L257 I279 L284 N285 S323P222-M245 HydrophobicContact CB-CE 3.69Å; P222-M245 HydrophobicContact CG-CE 4.23Å; I226-M245 HydrophobicContact CD1-CE 4.27Å; I226-M245 HydrophobicContact CD1-SD 4.24Å; M245-E247 PolarHBondContact O-N 2.75Å; M245-L253 HydrophobicContact CB-CD1 3.59Å; M245-L253 HydrophobicContact CE-CD1 4.06Å; M245-L253 HydrophobicContact SD-CD1 4.48Å; M245-N256 HydrophobicContact CE-CB 4.23Å; M245-L257 HydrophobicContact CE-CD2 4.44Å; M245-L257 HydrophobicContact SD-CD2 4.21Å; M245-I279 HydrophobicContact SD-CD1 3.82Å; M245-L284 HydrophobicContact CB-CD1 3.88Å; M245-L284 HydrophobicContact CG-CD1 3.71Å; M245-L284 HydrophobicContact SD-CD1 3.63Å; M245-N285 PolarHBondContact N-OD1 3.28Å; M245-N285 PolarHBondContact O-ND2 2.89Å; M245-N285 PolarHBondContact O-OD1 3.09Å; M245-S323 CarbonylContact C-O 3.5Å; M245-S323 VanDerWaalsContact CA-O 3.24Å; M245-S323 WeakPolarHBondContact CA-O 3.24Å
246H98.4Very high98.1Very high1 Ų119 Ų191%0.00510%0.101CC..  trans-60.8117.8174.5-178.5-155.1000111.4A248 Q252 S290 H295 L304 S323 A324 C325H246-A248 PolarHBondContact O-N 2.81Å; H246-Q252 PolarHBondContact O-OE1 3.28Å; H246-S290 PolarHBondContact CD2-OG 3.47Å; H246-H295 AromaticContact CE1-CD2 3.53Å; H246-H295 AromaticContact CE1-CE1 3.22Å; H246-H295 PolarHBondContact CE1-CE1 3.11Å; H246-H295 AromaticContact CE1-CG 3.95Å; H246-H295 AromaticContact CE1-ND1 3.76Å; H246-H295 AromaticContact CE1-NE2 3.04Å; H246-H295 PolarHBondContact CE1-NE2 2.66Å; H246-H295 AromaticContact NE2-CD2 3.23Å; H246-H295 PolarHBondContact NE2-CD2 3.28Å; H246-H295 AromaticContact NE2-CE1 3.22Å; H246-H295 PolarHBondContact NE2-CE1 2.85Å; H246-H295 AromaticContact NE2-CG 3.27Å; H246-H295 VanDerWaalsContact NE2-CG 3.27Å; H246-H295 AromaticContact NE2-ND1 3.25Å; H246-H295 PolarHBondContact NE2-ND1 3.07Å; H246-H295 AromaticContact NE2-NE2 3.22Å; H246-H295 PolarHBondContact NE2-NE2 2.75Å; H246-L304 HydrophobicContact CB-CD1 3.99Å; H246-S323 PolarHBondContact N-O 3.26Å; H246-A324 HydrophobicContact CB-CB 3.58Å; H246-C325 PolarHBondContact ND1-O 3.45Å
247E98.1Very high98.2Very high0 Ų013.5 Ų13.50%08%0.078CC..  trans-92.671.2175.9-54178.4165.200111.1F110 S114 M245 F249 L253 N285 G289 S290 L291F110-E247 HydrophobicContact CE1-CG 4.2Å; F110-E247 HydrophobicContact CZ-CG 4.47Å; F110-E247 WeakPolarHBondContact CZ-OE1 3.45Å; S114-E247 PolarHBondContact OG-OE1 3.22Å; S114-E247 PolarHBondContact OG-OE2 2.91Å; M245-E247 PolarHBondContact O-N 2.75Å; E247-F249 VanDerWaalsContact C-N 3.3Å; E247-F249 PolarHBondContact O-N 3.29Å; E247-L253 HydrophobicContact CG-CD1 4.4Å; E247-L253 HydrophobicContact CG-CD2 4.4Å; E247-N285 VanDerWaalsContact CD-ND2 3.31Å; E247-N285 WeakPolarHBondContact CG-ND2 3.47Å; E247-N285 WeakPolarHBondContact OE1-CB 3.18Å; E247-N285 PolarHBondContact OE1-ND2 3.41Å; E247-G289 VanDerWaalsContact CD-CA 3.47Å; E247-G289 VanDerWaalsContact OE2-C 3.23Å; E247-G289 VanDerWaalsContact OE2-CA 3.23Å; E247-G289 WeakPolarHBondContact OE2-CA 3.37Å; E247-G289 PolarHBondContact OE2-N 3.39Å; E247-S290 PolarHBondContact OE2-N 3.42Å; E247-L291 HydrophobicContact CB-CB 3.78Å; E247-L291 PolarHBondContact O-N 3.15Å; E247-L291 VanDerWaalsContact OE2-CB 3.29Å; E247-L291 WeakPolarHBondContact OE2-CB 3.33Å; E247-L291 PolarHBondContact OE2-N 3.16Å
248A97Very high98.2Very high5 Ų515.9 Ų15.94%0.0419%0.088CC..SBendtrans-62.8-43.7176.700000110.6S176 H246S176-A248 VanDerWaalsContact CB-O 3.31Å; S176-A248 WeakPolarHBondContact CB-O 3.23Å; S176-A248 PolarHBondContact N-O 3.04Å; S176-A248 PolarHBondContact OG-O 3.44Å; H246-A248 PolarHBondContact O-N 2.81Å
249F98.1Very high98.3Very high14 Ų1411.9 Ų11.96%0.0616%0.06CC..BIsolated β-bridgetrans-147.6149.5173.2-57.4-91.2000108.7M89 G90 A93 F163 I170 A175 E247 G251 Q252 L253M89-F249 HydrophobicContact CB-CE2 4.27Å; M89-F249 HydrophobicContact CB-CZ 4.4Å; G90-F249 VanDerWaalsContact CA-CZ 3.44Å; A93-F249 HydrophobicContact CB-CB 4.06Å; A93-F249 HydrophobicContact CB-CD1 4.19Å; A93-F249 HydrophobicContact CB-CD2 3.36Å; A93-F249 HydrophobicContact CB-CE2 3.82Å; A93-F249 HydrophobicContact CB-CG 3.6Å; A93-F249 HydrophobicContact CB-CZ 4.41Å; F163-F249 HydrophobicContact CE2-CD1 4.46Å; F163-F249 AromaticContact CE2-CE1 3.73Å; F163-F249 HydrophobicContact CE2-CE1 3.73Å; F163-F249 AromaticContact CZ-CE1 3.88Å; F163-F249 HydrophobicContact CZ-CE1 3.88Å; F163-F249 HydrophobicContact CZ-CZ 4.37Å; I170-F249 HydrophobicContact CD1-CB 3.97Å; I170-F249 HydrophobicContact CD1-CD1 4.46Å; I170-F249 HydrophobicContact CD1-CG 4.48Å; I170-F249 HydrophobicContact CG2-CD1 3.66Å; I170-F249 HydrophobicContact CG2-CE1 4.15Å; A175-F249 HydrophobicContact CB-CD1 3.43Å; A175-F249 VanDerWaalsContact CB-CD1 3.43Å; A175-F249 HydrophobicContact CB-CE1 3.65Å; E247-F249 VanDerWaalsContact C-N 3.3Å; E247-F249 PolarHBondContact O-N 3.29Å; F249-G251 VanDerWaalsContact C-N 3.3Å; F249-G251 PolarHBondContact O-N 3.08Å; F249-Q252 HydrophobicContact CB-CB 4.03Å; F249-Q252 HydrophobicContact CD2-CB 4.5Å; F249-Q252 WeakPolarHBondContact O-CB 3.14Å; F249-Q252 PolarHBondContact O-N 2.89Å; F249-Q252 VanDerWaalsContact O-N 3.13Å; F249-L253 PolarHBondContact O-N 3.17Å
250A98.3Very high98.3Very high0 Ų08.7 Ų8.70%04%0.043CC..Hα-helixtrans-57.9-45.3176.100000111.2Q107 F110 N174 Q252 L253 I254 L291Q107-A250 HydrophobicContact CB-CB 3.99Å; Q107-A250 HydrophobicContact CG-CB 4.47Å; Q107-A250 VanDerWaalsContact O-CB 3.3Å; Q107-A250 WeakPolarHBondContact O-CB 3.37Å; F110-A250 HydrophobicContact CB-CB 4.27Å; F110-A250 HydrophobicContact CD1-CB 3.96Å; F110-A250 HydrophobicContact CG-CB 4.5Å; N174-A250 HydrophobicContact CB-CB 4.05Å; N174-A250 WeakPolarHBondContact O-CB 3.37Å; N174-A250 PolarHBondContact O-N 3.24Å; A250-Q252 VanDerWaalsContact C-N 3.3Å; A250-Q252 PolarHBondContact O-N 2.97Å; A250-L253 PolarHBondContact O-N 3.42Å; A250-I254 WeakPolarHBondContact O-CD1 3.2Å; A250-I254 VanDerWaalsContact O-CG1 3.27Å; A250-I254 WeakPolarHBondContact O-CG1 3.48Å; A250-I254 PolarHBondContact O-N 3.2Å; A250-L291 HydrophobicContact CB-CD1 3.86Å
251G97.8Very high98.3Very high0 Ų011.2 Ų11.20%06%0.056CC..Hα-helixtrans-60-37.3176.200000113.6F249 A255F249-G251 VanDerWaalsContact C-N 3.3Å; F249-G251 PolarHBondContact O-N 3.08Å; G251-A255 WeakPolarHBondContact O-CB 3.33Å; G251-A255 PolarHBondContact O-N 3.46Å
252Q97.7Very high98.2Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-64.6-47.2175.6169-86.6-48.200111.7L219 H246 F249 A250 A255 N256L219-Q252 HydrophobicContact CB-CG 3.74Å; L219-Q252 HydrophobicContact CD1-CB 4.31Å; L219-Q252 HydrophobicContact CD1-CG 4.24Å; L219-Q252 HydrophobicContact CD2-CG 4.25Å; L219-Q252 HydrophobicContact CG-CG 4.3Å; H246-Q252 PolarHBondContact O-OE1 3.28Å; F249-Q252 HydrophobicContact CB-CB 4.03Å; F249-Q252 HydrophobicContact CD2-CB 4.5Å; F249-Q252 WeakPolarHBondContact O-CB 3.14Å; F249-Q252 PolarHBondContact O-N 2.89Å; F249-Q252 VanDerWaalsContact O-N 3.13Å; A250-Q252 VanDerWaalsContact C-N 3.3Å; A250-Q252 PolarHBondContact O-N 2.97Å; Q252-A255 PolarHBondContact O-N 3.02Å; Q252-N256 PolarHBondContact NE2-ND2 3.27Å; Q252-N256 PolarHBondContact O-N 2.77Å; Q252-N256 VanDerWaalsContact O-N 3.1Å; Q252-N256 PolarHBondContact O-ND2 3.23Å
253L98.3Very high98.2Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-63.7-50.4-178.8-171.289.4000110.5F110 M245 E247 F249 A250 A255 N256 L257 L284F110-L253 HydrophobicContact CD1-CD2 4.22Å; F110-L253 HydrophobicContact CD2-CD2 4.14Å; F110-L253 HydrophobicContact CE1-CD2 3.43Å; F110-L253 VanDerWaalsContact CE1-CD2 3.43Å; F110-L253 HydrophobicContact CE2-CD2 3.32Å; F110-L253 HydrophobicContact CZ-CD2 2.93Å; F110-L253 HydrophobicContact CZ-CG 4.4Å; M245-L253 HydrophobicContact CB-CD1 3.59Å; M245-L253 HydrophobicContact CE-CD1 4.06Å; M245-L253 HydrophobicContact SD-CD1 4.48Å; E247-L253 HydrophobicContact CG-CD1 4.4Å; E247-L253 HydrophobicContact CG-CD2 4.4Å; F249-L253 PolarHBondContact O-N 3.17Å; A250-L253 PolarHBondContact O-N 3.42Å; L253-A255 VanDerWaalsContact C-N 3.3Å; L253-A255 PolarHBondContact O-N 3.15Å; L253-N256 WeakPolarHBondContact O-CB 3.16Å; L253-N256 PolarHBondContact O-N 3.48Å; L253-L257 WeakPolarHBondContact O-CG 3.31Å; L253-L257 PolarHBondContact O-N 2.69Å; L253-L284 HydrophobicContact CD2-CD2 4.03Å
254I98.5Very high98.1Very high17 Ų1719.8 Ų19.89%0.08710%0.101CC..Hα-helixtrans-62.2-39.1-179.3-60.3163.4000110.7V102 E106 Q107 F110 A250 N256 L257 K258V102-I254 HydrophobicContact CB-CG2 4.44Å; V102-I254 HydrophobicContact CG1-CB 3.84Å; V102-I254 HydrophobicContact CG1-CD1 3.94Å; V102-I254 HydrophobicContact CG1-CG2 3.69Å; V102-I254 HydrophobicContact CG2-CB 4.25Å; V102-I254 HydrophobicContact CG2-CG2 3.89Å; E106-I254 HydrophobicContact CB-CD1 4.13Å; E106-I254 WeakPolarHBondContact O-CD1 3.28Å; Q107-I254 HydrophobicContact CG-CD1 4.42Å; F110-I254 HydrophobicContact CB-CD1 3.85Å; F110-I254 HydrophobicContact CB-CG1 4.42Å; F110-I254 HydrophobicContact CG-CD1 4.35Å; F110-I254 HydrophobicContact CG-CG1 4.42Å; A250-I254 WeakPolarHBondContact O-CD1 3.2Å; A250-I254 VanDerWaalsContact O-CG1 3.27Å; A250-I254 WeakPolarHBondContact O-CG1 3.48Å; A250-I254 PolarHBondContact O-N 3.2Å; I254-N256 VanDerWaalsContact C-N 3.31Å; I254-N256 PolarHBondContact O-N 3.48Å; I254-L257 WeakPolarHBondContact O-CB 3.21Å; I254-L257 PolarHBondContact O-N 3.24Å; I254-L257 VanDerWaalsContact O-N 3.14Å; I254-K258 HydrophobicContact CG2-CD 4.47Å; I254-K258 HydrophobicContact CG2-CG 4.41Å; I254-K258 WeakPolarHBondContact O-CG 3.5Å; I254-K258 PolarHBondContact O-N 3.4Å
255A98.2Very high98Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-60.6-38.9174.100000112.3L96 F100 V102 G251 Q252 L253 K258 A259L96-A255 HydrophobicContact CD1-CB 4.39Å; L96-A255 HydrophobicContact CD2-CB 3.93Å; L96-A255 HydrophobicContact CG-CB 3.79Å; F100-A255 HydrophobicContact CB-CB 3.96Å; F100-A255 HydrophobicContact CD2-CB 3.9Å; F100-A255 HydrophobicContact CG-CB 3.99Å; V102-A255 HydrophobicContact CG2-CB 4.21Å; G251-A255 WeakPolarHBondContact O-CB 3.33Å; G251-A255 PolarHBondContact O-N 3.46Å; Q252-A255 PolarHBondContact O-N 3.02Å; L253-A255 VanDerWaalsContact C-N 3.3Å; L253-A255 PolarHBondContact O-N 3.15Å; A255-K258 PolarHBondContact O-N 3.27Å; A255-A259 WeakPolarHBondContact O-CB 3.35Å; A255-A259 PolarHBondContact O-N 2.7Å
256N98.5Very high98Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-64.2-40.4173.4-82.9-93.9000111.9L219 L220 P222 A223 M245 Q252 L253 I254 A259 L260L219-N256 PolarHBondContact O-ND2 3.1Å; L220-N256 WeakPolarHBondContact CA-OD1 3.32Å; L220-N256 PolarHBondContact O-OD1 3.36Å; P222-N256 HydrophobicContact CB-CB 4.45Å; P222-N256 WeakPolarHBondContact CB-OD1 3.39Å; P222-N256 VanDerWaalsContact CD-OD1 3.3Å; P222-N256 WeakPolarHBondContact CD-OD1 3.38Å; A223-N256 WeakPolarHBondContact CB-OD1 3.43Å; A223-N256 PolarHBondContact N-OD1 2.88Å; M245-N256 HydrophobicContact CE-CB 4.23Å; Q252-N256 PolarHBondContact NE2-ND2 3.27Å; Q252-N256 PolarHBondContact O-N 2.77Å; Q252-N256 VanDerWaalsContact O-N 3.1Å; Q252-N256 PolarHBondContact O-ND2 3.23Å; L253-N256 WeakPolarHBondContact O-CB 3.16Å; L253-N256 PolarHBondContact O-N 3.48Å; I254-N256 VanDerWaalsContact C-N 3.31Å; I254-N256 PolarHBondContact O-N 3.48Å; N256-A259 PolarHBondContact O-N 3.05Å; N256-L260 WeakPolarHBondContact O-CG 3.08Å; N256-L260 PolarHBondContact O-N 3.19Å
257L98.4Very high98Very high30 Ų3026 Ų2616%0.15713%0.128CC..Hα-helixtrans-62.9-46.2175.5-57.8-177.2000111.5M245 L253 I254 A259 L260 D261 I279 L284M245-L257 HydrophobicContact CE-CD2 4.44Å; M245-L257 HydrophobicContact SD-CD2 4.21Å; L253-L257 WeakPolarHBondContact O-CG 3.31Å; L253-L257 PolarHBondContact O-N 2.69Å; I254-L257 WeakPolarHBondContact O-CB 3.21Å; I254-L257 PolarHBondContact O-N 3.24Å; I254-L257 VanDerWaalsContact O-N 3.14Å; L257-A259 VanDerWaalsContact C-N 3.3Å; L257-A259 PolarHBondContact O-N 2.67Å; L257-L260 PolarHBondContact O-N 3.27Å; L257-D261 PolarHBondContact O-N 2.87Å; L257-D261 VanDerWaalsContact O-N 3.09Å; L257-I279 HydrophobicContact CD2-CB 4.03Å; L257-I279 HydrophobicContact CD2-CD1 3.95Å; L257-I279 HydrophobicContact CD2-CG1 4.39Å; L257-L284 HydrophobicContact CD1-CD2 3.75Å; L257-L284 HydrophobicContact CD2-CD2 4.02Å; L257-L284 HydrophobicContact CG-CD2 4.43Å
258K98.1Very high97.9Very high64 Ų6432 Ų3228%0.27815%0.154SC..Hα-helixtrans-63-35.9176.3-69.8-169.5-177.4-1720112.1F100 N101 V102 E106 I254 A255 D261 S262F100-K258 HydrophobicContact CD1-CB 4.07Å; F100-K258 VanDerWaalsContact O-CD 3.27Å; F100-K258 WeakPolarHBondContact O-CD 3.46Å; N101-K258 PolarHBondContact O-NZ 3.23Å; V102-K258 HydrophobicContact CG2-CD 4.1Å; E106-K258 VanDerWaalsContact OE1-CE 3.25Å; E106-K258 WeakPolarHBondContact OE1-CE 3.4Å; E106-K258 IonicContact OE1-NZ 3.85Å; E106-K258 PolarHBondContact OE1-NZ 3.32Å; E106-K258 IonicContact OE2-NZ 3.63Å; E106-K258 PolarHBondContact OE2-NZ 3.1Å; I254-K258 HydrophobicContact CG2-CD 4.47Å; I254-K258 HydrophobicContact CG2-CG 4.41Å; I254-K258 WeakPolarHBondContact O-CG 3.5Å; I254-K258 PolarHBondContact O-N 3.4Å; A255-K258 PolarHBondContact O-N 3.27Å; K258-D261 CarbonylContact O-C 3.25Å; K258-D261 PolarHBondContact O-N 2.91Å; K258-S262 VanDerWaalsContact O-CB 3.27Å; K258-S262 WeakPolarHBondContact O-CB 3.36Å; K258-S262 PolarHBondContact O-N 3.37Å
259A98.1Very high97.8Very high0 Ų035.8 Ų35.80%017%0.168CC..Hα-helixtrans-64.4-44.2175.500000112.2F100 L220 A223 A255 N256 L257 D261 S262 F265F100-A259 HydrophobicContact CD1-CB 4.41Å; F100-A259 HydrophobicContact CE1-CB 3.56Å; F100-A259 HydrophobicContact CZ-CB 3.85Å; L220-A259 HydrophobicContact CD2-CB 4.24Å; A223-A259 HydrophobicContact CB-CB 3.71Å; A255-A259 WeakPolarHBondContact O-CB 3.35Å; A255-A259 PolarHBondContact O-N 2.7Å; N256-A259 PolarHBondContact O-N 3.05Å; L257-A259 VanDerWaalsContact C-N 3.3Å; L257-A259 PolarHBondContact O-N 2.67Å; A259-D261 VanDerWaalsContact C-N 3.28Å; A259-D261 PolarHBondContact O-N 3.32Å; A259-S262 PolarHBondContact O-N 3.31Å; A259-F265 HydrophobicContact CB-CD1 3.92Å; A259-F265 HydrophobicContact CB-CD2 4.05Å; A259-F265 HydrophobicContact CB-CE1 3.99Å; A259-F265 HydrophobicContact CB-CE2 4.13Å; A259-F265 HydrophobicContact CB-CG 3.95Å; A259-F265 HydrophobicContact CB-CZ 4.1Å; A259-F265 WeakPolarHBondContact O-CD1 3.34Å
260L98.3Very high97.7Very high0 Ų036.7 Ų36.70%017%0.173CC..Hα-helixtrans-63.7-33.8176.2-68.8172000112.3I226 P227 N256 L257 V276 G277 I279I226-L260 HydrophobicContact CD1-CD1 4.25Å; P227-L260 HydrophobicContact CG-CD2 3.59Å; N256-L260 WeakPolarHBondContact O-CG 3.08Å; N256-L260 PolarHBondContact O-N 3.19Å; L257-L260 PolarHBondContact O-N 3.27Å; L260-V276 HydrophobicContact CB-CB 4.49Å; L260-V276 HydrophobicContact CD2-CB 4.1Å; L260-V276 HydrophobicContact CD2-CG1 4.21Å; L260-V276 HydrophobicContact CD2-CG2 4.16Å; L260-V276 PolarHBondContact O-N 2.72Å; L260-G277 CarbonylContact C-O 3.5Å; L260-G277 PolarHBondContact O-N 2.84Å; L260-I279 HydrophobicContact CD1-CD1 3.62Å; L260-I279 HydrophobicContact CD1-CG1 4.22Å
261D98.3Very high97.6Very high53 Ų5343.9 Ų43.928%0.28321%0.212SC..THydrogen-bonded Turntrans-90.913.8178.8-157.657.2000114.4L257 K258 A259 K275 S278L257-D261 PolarHBondContact O-N 2.87Å; L257-D261 VanDerWaalsContact O-N 3.09Å; K258-D261 CarbonylContact O-C 3.25Å; K258-D261 PolarHBondContact O-N 2.91Å; A259-D261 VanDerWaalsContact C-N 3.28Å; A259-D261 PolarHBondContact O-N 3.32Å; D261-K275 WeakPolarHBondContact O-CD 3.2Å; D261-K275 WeakPolarHBondContact OD1-CD 3.45Å; D261-K275 WeakPolarHBondContact OD1-CE 3.39Å; D261-K275 IonicContact OD1-NZ 3.08Å; D261-K275 PolarHBondContact OD1-NZ 3.21Å; D261-K275 IonicContact OD2-NZ 3.69Å; D261-K275 PolarHBondContact OD2-NZ 3.18Å; D261-K275 VanDerWaalsContact OD2-NZ 3.08Å; D261-S278 PolarHBondContact OD1-N 3.1Å; D261-S278 PolarHBondContact OD1-OG 3.47Å; D261-S278 PolarHBondContact OD2-OG 2.95Å
262S98Very high97.5Very high35 Ų3546.2 Ų46.225%0.24522%0.222CC..  trans-110.6120.1-177.91780000112.9K258 A259 H264 F265 A266K258-S262 VanDerWaalsContact O-CB 3.27Å; K258-S262 WeakPolarHBondContact O-CB 3.36Å; K258-S262 PolarHBondContact O-N 3.37Å; A259-S262 PolarHBondContact O-N 3.31Å; S262-H264 VanDerWaalsContact C-N 3.26Å; S262-H264 PolarHBondContact O-N 3.43Å; S262-H264 PolarHBondContact OG-N 3.22Å; S262-F265 PolarHBondContact O-N 2.9Å; S262-F265 PolarHBondContact OG-N 3.03Å; S262-A266 WeakPolarHBondContact O-CB 3.44Å; S262-A266 PolarHBondContact O-N 3.2Å
263D97.9Very high97.3Very high75 Ų7554.2 Ų54.240%0.40126%0.259SS..Hα-helixtrans-62.9-35.8172-69.4-61.3000111.8A266 K267 G274 K275D263-A266 PolarHBondContact O-N 2.97Å; D263-K267 WeakPolarHBondContact O-CB 3.39Å; D263-K267 WeakPolarHBondContact O-CG 3.48Å; D263-K267 PolarHBondContact O-N 3.42Å; D263-G274 WeakPolarHBondContact OD1-CA 3.43Å; D263-K275 PolarHBondContact OD1-N 3.29Å
264H97.1Very high97.2Very high121 Ų12155.5 Ų55.556%0.5627%0.272SS*.Hα-helixtrans-62-48.9176.3177.878.2000110.9S262 A266 K267 K268S262-H264 VanDerWaalsContact C-N 3.26Å; S262-H264 PolarHBondContact O-N 3.43Å; S262-H264 PolarHBondContact OG-N 3.22Å; H264-A266 PolarHBondContact O-N 3.3Å; H264-K267 PolarHBondContact O-N 3.23Å; H264-K268 WeakPolarHBondContact NE2-CD 3.3Å; H264-K268 WeakPolarHBondContact O-CB 3.4Å; H264-K268 PolarHBondContact O-N 2.78Å
265F97.1Very high97.2Very high4 Ų459 Ų592%0.01829%0.287CS..Hα-helixtrans-62.3-45.3179.2-172.7-92.8000111.3F100 L220 A223 Y224 A259 S262 K267 K268 Y269 L270F100-F265 HydrophobicContact CE1-CD2 4.16Å; F100-F265 AromaticContact CZ-CD2 3.86Å; F100-F265 HydrophobicContact CZ-CD2 3.86Å; F100-F265 HydrophobicContact CZ-CE2 4.01Å; L220-F265 HydrophobicContact CD1-CE2 3.85Å; L220-F265 HydrophobicContact CD1-CZ 4.19Å; A223-F265 HydrophobicContact CB-CE1 4.05Å; A223-F265 HydrophobicContact CB-CZ 4.16Å; Y224-F265 HydrophobicContact CD2-CZ 4.29Å; Y224-F265 HydrophobicContact CE2-CE1 4.47Å; Y224-F265 HydrophobicContact CE2-CE2 4.43Å; Y224-F265 AromaticContact CE2-CZ 3.61Å; Y224-F265 HydrophobicContact CE2-CZ 3.61Å; Y224-F265 AromaticContact CZ-CZ 3.75Å; A259-F265 HydrophobicContact CB-CD1 3.92Å; A259-F265 HydrophobicContact CB-CD2 4.05Å; A259-F265 HydrophobicContact CB-CE1 3.99Å; A259-F265 HydrophobicContact CB-CE2 4.13Å; A259-F265 HydrophobicContact CB-CG 3.95Å; A259-F265 HydrophobicContact CB-CZ 4.1Å; A259-F265 WeakPolarHBondContact O-CD1 3.34Å; S262-F265 PolarHBondContact O-N 2.9Å; S262-F265 PolarHBondContact OG-N 3.03Å; F265-K267 PolarHBondContact O-N 3.26Å; F265-K268 PolarHBondContact O-N 3.01Å; F265-Y269 AromaticContact CD2-CD2 3.44Å; F265-Y269 HydrophobicContact CD2-CD2 3.44Å; F265-Y269 VanDerWaalsContact CD2-CD2 3.44Å; F265-Y269 HydrophobicContact CD2-CE2 4.05Å; F265-Y269 HydrophobicContact CD2-CG 4.31Å; F265-Y269 AromaticContact CE2-CD2 3.65Å; F265-Y269 HydrophobicContact CE2-CD2 3.65Å; F265-Y269 HydrophobicContact CE2-CE2 4.32Å; F265-Y269 HydrophobicContact CE2-CG 4.15Å; F265-Y269 HydrophobicContact CG-CD2 4.09Å; F265-Y269 HydrophobicContact CZ-CD2 4.45Å; F265-Y269 WeakPolarHBondContact O-CB 3.37Å; F265-Y269 PolarHBondContact O-N 2.89Å; F265-L270 HydrophobicContact CD1-CD1 3.98Å; F265-L270 HydrophobicContact CD1-CG 4.05Å; F265-L270 HydrophobicContact CE1-CD1 3.97Å; F265-L270 HydrophobicContact CE1-CD2 3.98Å; F265-L270 HydrophobicContact CE1-CG 3.86Å
266A97.8Very high97.1Very high1 Ų160.8 Ų60.81%0.00830%0.298CS..Hα-helixtrans-60.1-46.2179.500000112.9S262 D263 H264 L270 N271 K272 G274S262-A266 WeakPolarHBondContact O-CB 3.44Å; S262-A266 PolarHBondContact O-N 3.2Å; D263-A266 PolarHBondContact O-N 2.97Å; H264-A266 PolarHBondContact O-N 3.3Å; A266-L270 CarbonylContact O-C 3.53Å; A266-L270 WeakPolarHBondContact O-CA 3.38Å; A266-L270 WeakPolarHBondContact O-CB 3.41Å; A266-L270 PolarHBondContact O-N 3.37Å; A266-L270 VanDerWaalsContact O-N 3.12Å; A266-N271 PolarHBondContact O-N 3.25Å; A266-N271 VanDerWaalsContact O-N 3.07Å; A266-K272 CarbonylContact C-O 3.5Å; A266-K272 HydrophobicContact CB-CB 4.08Å; A266-K272 PolarHBondContact O-N 3.23Å; A266-G274 WeakPolarHBondContact CB-O 3.16Å
267K97.5Very high97.1Very high127 Ų12761.5 Ų61.555%0.55231%0.306SS*.Hα-helixtrans-66.8-48.1177.7-71.8174.8-178.2179.70112.1D263 H264 F265 K272 Q273D263-K267 WeakPolarHBondContact O-CB 3.39Å; D263-K267 WeakPolarHBondContact O-CG 3.48Å; D263-K267 PolarHBondContact O-N 3.42Å; H264-K267 PolarHBondContact O-N 3.23Å; F265-K267 PolarHBondContact O-N 3.26Å; K267-K272 VanDerWaalsContact CA-O 3.3Å; K267-K272 WeakPolarHBondContact CA-O 3.42Å; K267-K272 VanDerWaalsContact CG-O 3.29Å; K267-K272 WeakPolarHBondContact CG-O 3.5Å; K267-K272 PolarHBondContact N-O 3.16Å; K267-Q273 WeakPolarHBondContact CE-O 3.27Å
268K96.2Very high97.1Very high125 Ų12563.6 Ų63.654%0.54332%0.323SS..Hα-helixtrans-74.5-38.1-172.1-173.9173.7178.1-167.90113.3H264 F265H264-K268 WeakPolarHBondContact NE2-CD 3.3Å; H264-K268 WeakPolarHBondContact O-CB 3.4Å; H264-K268 PolarHBondContact O-N 2.78Å; F265-K268 PolarHBondContact O-N 3.01Å
269Y96Very high97Very high86 Ų8661.2 Ų61.234%0.33731%0.313SS..Hα-helixtrans-119.7-22.4-167.4-61.7-67.1000114.7Y224 F265Y224-Y269 WeakPolarHBondContact OH-CB 3.46Å; F265-Y269 AromaticContact CD2-CD2 3.44Å; F265-Y269 HydrophobicContact CD2-CD2 3.44Å; F265-Y269 VanDerWaalsContact CD2-CD2 3.44Å; F265-Y269 HydrophobicContact CD2-CE2 4.05Å; F265-Y269 HydrophobicContact CD2-CG 4.31Å; F265-Y269 AromaticContact CE2-CD2 3.65Å; F265-Y269 HydrophobicContact CE2-CD2 3.65Å; F265-Y269 HydrophobicContact CE2-CE2 4.32Å; F265-Y269 HydrophobicContact CE2-CG 4.15Å; F265-Y269 HydrophobicContact CG-CD2 4.09Å; F265-Y269 HydrophobicContact CZ-CD2 4.45Å; F265-Y269 WeakPolarHBondContact O-CB 3.37Å; F265-Y269 PolarHBondContact O-N 2.89Å
270L96Very high97Very high32 Ų3263.3 Ų63.317%0.16833%0.327CS..SBendtrans-107.5-4.6-179.4-54.5-179.8000113.3Y224 P227 F265 A266 K272 V276Y224-L270 HydrophobicContact CD1-CD2 3.57Å; Y224-L270 HydrophobicContact CE1-CD2 3.89Å; Y224-L270 HydrophobicContact CG-CD2 4.15Å; P227-L270 HydrophobicContact CB-CD1 4.3Å; P227-L270 HydrophobicContact CG-CD1 3.95Å; F265-L270 HydrophobicContact CD1-CD1 3.98Å; F265-L270 HydrophobicContact CD1-CG 4.05Å; F265-L270 HydrophobicContact CE1-CD1 3.97Å; F265-L270 HydrophobicContact CE1-CD2 3.98Å; F265-L270 HydrophobicContact CE1-CG 3.86Å; A266-L270 CarbonylContact O-C 3.53Å; A266-L270 WeakPolarHBondContact O-CA 3.38Å; A266-L270 WeakPolarHBondContact O-CB 3.41Å; A266-L270 PolarHBondContact O-N 3.37Å; A266-L270 VanDerWaalsContact O-N 3.12Å; L270-K272 HydrophobicContact CB-CB 4.44Å; L270-K272 HydrophobicContact CB-CD 4.3Å; L270-K272 HydrophobicContact CB-CG 4.16Å; L270-K272 PolarHBondContact O-N 3.35Å; L270-V276 HydrophobicContact CD1-CG2 3.74Å
271N95.2Very high97Very high151 Ų15167 Ų6781%0.80735%0.345SS*.  trans52.642.3-172.6-167.132000112.5A266A266-N271 PolarHBondContact O-N 3.25Å; A266-N271 VanDerWaalsContact O-N 3.07Å
272K95.9Very high96.9Very high49 Ų4970.7 Ų70.721%0.21336%0.361CS..  trans-114145.6179.4-74.5-173.3173.1-62.40111.1D231 A266 K267 L270 G274 V276D231-K272 IonicContact OD1-NZ 2.76Å; D231-K272 PolarHBondContact OD1-NZ 3.2Å; D231-K272 WeakPolarHBondContact OD2-CE 3.42Å; D231-K272 IonicContact OD2-NZ 3.46Å; D231-K272 PolarHBondContact OD2-NZ 3.08Å; A266-K272 CarbonylContact C-O 3.5Å; A266-K272 HydrophobicContact CB-CB 4.08Å; A266-K272 PolarHBondContact O-N 3.23Å; K267-K272 VanDerWaalsContact CA-O 3.3Å; K267-K272 WeakPolarHBondContact CA-O 3.42Å; K267-K272 VanDerWaalsContact CG-O 3.29Å; K267-K272 WeakPolarHBondContact CG-O 3.5Å; K267-K272 PolarHBondContact N-O 3.16Å; L270-K272 HydrophobicContact CB-CB 4.44Å; L270-K272 HydrophobicContact CB-CD 4.3Å; L270-K272 HydrophobicContact CB-CG 4.16Å; L270-K272 PolarHBondContact O-N 3.35Å; K272-G274 VanDerWaalsContact C-N 3.31Å; K272-G274 PolarHBondContact O-N 2.99Å; K272-V276 HydrophobicContact CD-CG2 4.27Å
273Q94.6Very high96.9Very high168 Ų16871.5 Ų71.579%0.78536%0.36SS*.SBendtrans-70.5-26.4-177.2-66.9-59.5-26.900113.8K267K267-Q273 WeakPolarHBondContact CE-O 3.27Å
274G95.7Very high97Very high27 Ų2767.9 Ų67.928%0.27834%0.341SS..SBendtrans-148.1172.1175.900000111D263 A266 K272D263-G274 WeakPolarHBondContact OD1-CA 3.43Å; A266-G274 WeakPolarHBondContact CB-O 3.16Å; K272-G274 VanDerWaalsContact C-N 3.31Å; K272-G274 PolarHBondContact O-N 2.99Å
275K97.7Very high97.1Very high92 Ų9262.1 Ų62.140%0.431%0.314SS..  trans-53.2153.2177.564-178.8-177.4167.50112.6D261 D263D261-K275 WeakPolarHBondContact O-CD 3.2Å; D261-K275 WeakPolarHBondContact OD1-CD 3.45Å; D261-K275 WeakPolarHBondContact OD1-CE 3.39Å; D261-K275 IonicContact OD1-NZ 3.08Å; D261-K275 PolarHBondContact OD1-NZ 3.21Å; D261-K275 IonicContact OD2-NZ 3.69Å; D261-K275 PolarHBondContact OD2-NZ 3.18Å; D261-K275 VanDerWaalsContact OD2-NZ 3.08Å; D263-K275 PolarHBondContact OD1-N 3.29Å
276V97.7Very high97.1Very high36 Ų3663 Ų6322%0.21832%0.321CS..  trans-72.1-40.7177.5-175.10000109.5P227 L230 L237 L260 L270 K272P227-V276 HydrophobicContact CB-CG1 4.2Å; P227-V276 HydrophobicContact CB-CG2 3.81Å; P227-V276 HydrophobicContact CG-CB 4.32Å; P227-V276 HydrophobicContact CG-CG1 4.01Å; P227-V276 HydrophobicContact CG-CG2 3.52Å; L230-V276 HydrophobicContact CD1-CG1 4.37Å; L237-V276 HydrophobicContact CD1-CG1 3.97Å; L237-V276 HydrophobicContact CG-CG1 4.27Å; L260-V276 HydrophobicContact CB-CB 4.49Å; L260-V276 HydrophobicContact CD2-CB 4.1Å; L260-V276 HydrophobicContact CD2-CG1 4.21Å; L260-V276 HydrophobicContact CD2-CG2 4.16Å; L260-V276 PolarHBondContact O-N 2.72Å; L270-V276 HydrophobicContact CD1-CG2 3.74Å; K272-V276 HydrophobicContact CD-CG2 4.27Å
277G97.5Very high97.2Very high16 Ų1663.5 Ų63.517%0.16532%0.322CS..  trans131171.417500000112.7L237 L260L237-G277 WeakPolarHBondContact CD1-O 3.39Å; L260-G277 CarbonylContact C-O 3.5Å; L260-G277 PolarHBondContact O-N 2.84Å
278S97.4Very high97.2Very high74 Ų7457.5 Ų57.552%0.51730%0.296SS..PPolyproline II helixtrans-82.4133.2175.7-68.70000111D261D261-S278 PolarHBondContact OD1-N 3.1Å; D261-S278 PolarHBondContact OD1-OG 3.47Å; D261-S278 PolarHBondContact OD2-OG 2.95Å
279I98Very high97.3Very high14 Ų1451.5 Ų51.57%0.07227%0.27CS..PPolyproline II helixtrans-82.1123166.3-65.4174.8000107.9I226 L237 F243 M245 L257 L260 I281 L284I226-I279 HydrophobicContact CD1-CD1 4.24Å; L237-I279 HydrophobicContact CD1-CG1 4.31Å; L237-I279 HydrophobicContact CD2-CD1 4.47Å; L237-I279 HydrophobicContact CD2-CG1 4.04Å; F243-I279 HydrophobicContact CB-CG2 4.19Å; F243-I279 HydrophobicContact CD1-CD1 3.84Å; F243-I279 HydrophobicContact CD1-CG1 4.29Å; F243-I279 HydrophobicContact CD1-CG2 4.11Å; F243-I279 HydrophobicContact CD2-CG2 3.64Å; F243-I279 HydrophobicContact CE1-CD1 3.89Å; F243-I279 HydrophobicContact CE1-CG1 4.01Å; F243-I279 HydrophobicContact CE1-CG2 4.38Å; F243-I279 HydrophobicContact CE2-CG2 3.94Å; F243-I279 HydrophobicContact CG-CD1 4.47Å; F243-I279 HydrophobicContact CG-CG2 3.72Å; F243-I279 HydrophobicContact CZ-CG1 4.2Å; F243-I279 HydrophobicContact CZ-CG2 4.28Å; M245-I279 HydrophobicContact SD-CD1 3.82Å; L257-I279 HydrophobicContact CD2-CB 4.03Å; L257-I279 HydrophobicContact CD2-CD1 3.95Å; L257-I279 HydrophobicContact CD2-CG1 4.39Å; L260-I279 HydrophobicContact CD1-CD1 3.62Å; L260-I279 HydrophobicContact CD1-CG1 4.22Å; I279-I281 PolarHBondContact O-N 3.14Å; I279-L284 HydrophobicContact CG2-CB 4.29Å
280P97.2Very high97.4Very high44 Ų4447.4 Ų47.429%0.28625%0.254SS..PPolyproline II helixtrans-65.1130.8178.1-1830.7000111.7E282 K283P280-E282 HydrophobicContact CB-CG 4.43Å; P280-E282 WeakPolarHBondContact CB-OE1 3.39Å; P280-E282 WeakPolarHBondContact CB-OE2 3.34Å; P280-E282 PolarHBondContact O-N 3.41Å; P280-K283 HydrophobicContact CB-CD 4.44Å; P280-K283 HydrophobicContact CB-CG 4.37Å; P280-K283 HydrophobicContact CG-CD 4.23Å; P280-K283 PolarHBondContact O-N 3.04Å
281I97.2Very high97.5Very high77 Ų7746 Ų4640%0.39525%0.246SC..THydrogen-bonded Turntrans-65.7-26.1-173-167.557.8000112.3F110 R113 I279 K283 L284F110-I281 HydrophobicContact CD2-CD1 4.43Å; F110-I281 HydrophobicContact CE2-CD1 4.08Å; R113-I281 PolarHBondContact NH2-O 2.88Å; I279-I281 PolarHBondContact O-N 3.14Å; I281-K283 PolarHBondContact O-N 2.89Å; I281-L284 HydrophobicContact CD1-CD2 4.13Å; I281-L284 PolarHBondContact O-N 3.05Å
282E97.6Very high97.6Very high131 Ų13138.8 Ų38.861%0.61221%0.208SC*.THydrogen-bonded Turntrans-74.2-9.1175.870.8-80.7-170.300113.8P280 C286P280-E282 HydrophobicContact CB-CG 4.43Å; P280-E282 WeakPolarHBondContact CB-OE1 3.39Å; P280-E282 WeakPolarHBondContact CB-OE2 3.34Å; P280-E282 PolarHBondContact O-N 3.41Å; E282-C286 PolarHBondContact O-SG 3.07Å
283K98.4Very high97.7Very high51 Ų5137 Ų3722%0.22220%0.201CC..THydrogen-bonded Turntrans-103.5-14.4173.6-64.9-174.2165.7-169.70113I240 D241 F243 P280 I281 R311I240-K283 WeakPolarHBondContact O-CD 3.5Å; I240-K283 PolarHBondContact O-NZ 2.71Å; D241-K283 WeakPolarHBondContact O-CB 3.3Å; D241-K283 WeakPolarHBondContact O-CD 3.38Å; D241-K283 VanDerWaalsContact O-CG 3.28Å; D241-K283 WeakPolarHBondContact O-CG 3.43Å; D241-K283 IonicContact OD1-NZ 3.51Å; F243-K283 HydrophobicContact CD2-CB 3.96Å; F243-K283 PolarHBondContact N-O 3.42Å; P280-K283 HydrophobicContact CB-CD 4.44Å; P280-K283 HydrophobicContact CB-CG 4.37Å; P280-K283 HydrophobicContact CG-CD 4.23Å; P280-K283 PolarHBondContact O-N 3.04Å; I281-K283 PolarHBondContact O-N 2.89Å; K283-R311 PolarHBondContact O-NH1 3.39Å; K283-R311 VanDerWaalsContact O-NH1 3.11Å; K283-R311 PolarHBondContact O-NH2 3.18Å
284L98.7Very high97.8Very high0 Ų029.2 Ų29.20%017%0.165CC..BIsolated β-bridgetrans-95.3119.5-171.1179.562.2000112.9R113 F243 M245 L253 L257 I279 I281 C286R113-L284 PolarHBondContact NH1-O 2.94Å; R113-L284 PolarHBondContact NH2-O 2.85Å; F243-L284 HydrophobicContact CB-CD1 3.84Å; F243-L284 WeakPolarHBondContact O-CA 3.47Å; M245-L284 HydrophobicContact CB-CD1 3.88Å; M245-L284 HydrophobicContact CG-CD1 3.71Å; M245-L284 HydrophobicContact SD-CD1 3.63Å; L253-L284 HydrophobicContact CD2-CD2 4.03Å; L257-L284 HydrophobicContact CD1-CD2 3.75Å; L257-L284 HydrophobicContact CD2-CD2 4.02Å; L257-L284 HydrophobicContact CG-CD2 4.43Å; I279-L284 HydrophobicContact CG2-CB 4.29Å; I281-L284 HydrophobicContact CD1-CD2 4.13Å; I281-L284 PolarHBondContact O-N 3.05Å; L284-C286 VanDerWaalsContact C-N 3.3Å; L284-C286 PolarHBondContact O-N 3.34Å
285N98.7Very high97.9Very high0 Ų028.1 Ų28.10%015%0.153CC..SBendtrans47.149172.9-60-3000113.3F243 E244 M245 E247 W287 G288F243-N285 PolarHBondContact O-N 3.36Å; F243-N285 PolarHBondContact O-OD1 3.42Å; E244-N285 VanDerWaalsContact CA-OD1 3.29Å; E244-N285 WeakPolarHBondContact CA-OD1 3.47Å; E244-N285 WeakPolarHBondContact OE1-CA 3.34Å; M245-N285 PolarHBondContact N-OD1 3.28Å; M245-N285 PolarHBondContact O-ND2 2.89Å; M245-N285 PolarHBondContact O-OD1 3.09Å; E247-N285 VanDerWaalsContact CD-ND2 3.31Å; E247-N285 WeakPolarHBondContact CG-ND2 3.47Å; E247-N285 WeakPolarHBondContact OE1-CB 3.18Å; E247-N285 PolarHBondContact OE1-ND2 3.41Å; N285-W287 PolarHBondContact O-N 2.99Å; N285-G288 PolarHBondContact O-N 2.77Å; N285-G288 VanDerWaalsContact O-N 3.15Å
286C98.6Very high97.8Very high23 Ų2324.7 Ų24.716%0.15514%0.14CC..THydrogen-bonded Turntrans-73.9-8.5-169.6-63.30000113.8E282 L284 R311E282-C286 PolarHBondContact O-SG 3.07Å; L284-C286 VanDerWaalsContact C-N 3.3Å; L284-C286 PolarHBondContact O-N 3.34Å; C286-R311 VanDerWaalsContact CB-CZ 3.49Å; C286-R311 VanDerWaalsContact N-NH1 3.13Å; C286-R311 PolarHBondContact SG-NH2 3.2Å; C286-R311 VanDerWaalsContact SG-NH2 3.35Å
287W98.4Very high97.6Very high11 Ų1125.4 Ų25.44%0.04214%0.14CC..THydrogen-bonded Turntrans-109.720.9174.2-61.80.6000112.1A121 K126 L127 N285 N310 R311 D314A121-W287 HydrophobicContact CB-CB 3.76Å; A121-W287 HydrophobicContact CB-CG 4.12Å; K126-W287 HydrophobicContact CB-CD2 4.05Å; K126-W287 HydrophobicContact CB-CE3 4.08Å; K126-W287 HydrophobicContact CB-CH2 4.19Å; K126-W287 HydrophobicContact CB-CZ2 4.19Å; K126-W287 HydrophobicContact CB-CZ3 4.13Å; K126-W287 HydrophobicContact CD-CD2 4.23Å; K126-W287 HydrophobicContact CD-CZ2 3.8Å; K126-W287 HydrophobicContact CG-CZ2 4.45Å; K126-W287 VanDerWaalsContact O-CZ3 3.25Å; K126-W287 WeakPolarHBondContact O-CZ3 3.12Å; L127-W287 HydrophobicContact CD2-CB 4.35Å; N285-W287 PolarHBondContact O-N 2.99Å; W287-N310 HydrophobicContact CH2-CB 3.64Å; W287-N310 HydrophobicContact CZ3-CB 3.41Å; W287-N310 VanDerWaalsContact CZ3-CB 3.41Å; W287-R311 HydrophobicContact CD2-CG 3.46Å; W287-R311 VanDerWaalsContact CD2-CG 3.46Å; W287-R311 HydrophobicContact CE3-CG 3.79Å; W287-R311 HydrophobicContact CG-CG 3.98Å; W287-R311 HydrophobicContact CH2-CG 3.97Å; W287-R311 HydrophobicContact CZ2-CB 4.35Å; W287-R311 HydrophobicContact CZ2-CG 3.62Å; W287-R311 HydrophobicContact CZ3-CG 4.05Å; W287-D314 HydrophobicContact CH2-CB 3.97Å; W287-D314 HydrophobicContact CZ2-CB 3.6Å; W287-D314 WeakPolarHBondContact CZ2-OD2 3.39Å
288G98Very high97.3Very high0 Ų025 Ų250%014%0.136CC..  trans79.8167.5-168.900000112.2N285N285-G288 PolarHBondContact O-N 2.77Å; N285-G288 VanDerWaalsContact O-N 3.15Å
289G98Very high97.4Very high0 Ų021.5 Ų21.50%011%0.112CC..  trans-140.8-160.7-178.300000112.1S114 E247 L291 S292 L293S114-G289 PolarHBondContact OG-N 3.44Å; E247-G289 VanDerWaalsContact CD-CA 3.47Å; E247-G289 VanDerWaalsContact OE2-C 3.23Å; E247-G289 VanDerWaalsContact OE2-CA 3.23Å; E247-G289 WeakPolarHBondContact OE2-CA 3.37Å; E247-G289 PolarHBondContact OE2-N 3.39Å; G289-L291 PolarHBondContact O-N 2.93Å; G289-S292 PolarHBondContact N-OG 2.98Å; G289-S292 PolarHBondContact O-N 2.95Å; G289-S292 VanDerWaalsContact O-N 3.13Å; G289-S292 PolarHBondContact O-OG 2.83Å; G289-L293 WeakPolarHBondContact O-CB 3.49Å; G289-L293 WeakPolarHBondContact O-CG 3.43Å; G289-L293 PolarHBondContact O-N 3.38Å
290S98.1Very high97.4Very high0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-63.6-25-171.5-51.30000114.4H246 E247 S292 G294 T300 R303H246-S290 PolarHBondContact CD2-OG 3.47Å; E247-S290 PolarHBondContact OE2-N 3.42Å; S290-S292 VanDerWaalsContact C-N 3.32Å; S290-G294 WeakPolarHBondContact CA-O 3.35Å; S290-G294 CarbonylContact O-C 3.53Å; S290-G294 VanDerWaalsContact O-C 3.25Å; S290-G294 WeakPolarHBondContact O-CA 3.46Å; S290-G294 PolarHBondContact O-N 2.96Å; S290-G294 VanDerWaalsContact O-N 3.1Å; S290-T300 WeakPolarHBondContact OG-CG2 3.49Å; S290-R303 PolarHBondContact OG-NH2 3.36Å
291L97.9Very high97.4Very high1 Ų118.9 Ų18.91%0.00510%0.096CC..Hα-helixtrans-67.2-38.9178.1-175.2156.8000110.4A111 N174 E247 A250 G289A111-L291 HydrophobicContact CB-CD1 4.2Å; A111-L291 HydrophobicContact CB-CD2 3.94Å; N174-L291 WeakPolarHBondContact O-CD1 3.37Å; E247-L291 HydrophobicContact CB-CB 3.78Å; E247-L291 PolarHBondContact O-N 3.15Å; E247-L291 VanDerWaalsContact OE2-CB 3.29Å; E247-L291 WeakPolarHBondContact OE2-CB 3.33Å; E247-L291 PolarHBondContact OE2-N 3.16Å; A250-L291 HydrophobicContact CB-CD1 3.86Å; G289-L291 PolarHBondContact O-N 2.93Å
292S98.1Very high97.4Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-95.8-33.7-176.750.40000114.7S114 H115 G147 I148 G289 S290S114-S292 WeakPolarHBondContact O-CB 3.49Å; S114-S292 PolarHBondContact O-OG 3.49Å; S114-S292 WeakPolarHBondContact OG-CB 3.36Å; S114-S292 PolarHBondContact OG-OG 3.48Å; H115-S292 WeakPolarHBondContact ND1-CB 3.43Å; G147-S292 CarbonylContact C-O 3.53Å; G147-S292 WeakPolarHBondContact CA-O 3.45Å; I148-S292 PolarHBondContact N-O 3.18Å; G289-S292 PolarHBondContact N-OG 2.98Å; G289-S292 PolarHBondContact O-N 2.95Å; G289-S292 VanDerWaalsContact O-N 3.13Å; G289-S292 PolarHBondContact O-OG 2.83Å; S290-S292 VanDerWaalsContact C-N 3.32Å
293L97.9Very high97.5Very high12 Ų1210.7 Ų10.76%0.0636%0.055CC..Hα-helixtrans-90.8-43.2-177.1-58.6169.2000111.4A118 L127 I148 G289 H307A118-L293 HydrophobicContact CB-CD2 3.78Å; A118-L293 HydrophobicContact CB-CG 4.38Å; L127-L293 HydrophobicContact CD1-CD2 4.05Å; I148-L293 HydrophobicContact CD1-CD2 3.93Å; I148-L293 HydrophobicContact CG1-CD2 4.05Å; G289-L293 WeakPolarHBondContact O-CB 3.49Å; G289-L293 WeakPolarHBondContact O-CG 3.43Å; G289-L293 PolarHBondContact O-N 3.38Å; L293-H307 WeakPolarHBondContact CD1-CE1 3.5Å
294G97.4Very high97.5Very high4 Ų48.2 Ų8.24%0.0414%0.044CC..  trans137.9157.8-173.900000113.3S290S290-G294 WeakPolarHBondContact CA-O 3.35Å; S290-G294 CarbonylContact O-C 3.53Å; S290-G294 VanDerWaalsContact O-C 3.25Å; S290-G294 WeakPolarHBondContact O-CA 3.46Å; S290-G294 PolarHBondContact O-N 2.96Å; S290-G294 VanDerWaalsContact O-N 3.1Å
295H96.7Very high97.5Very high5 Ų58.7 Ų8.72%0.0235%0.046CC..  trans-128.269.1177.8-175.527000112.6C3 T179 H246 F297 T300C3-H295 PolarHBondContact SG-NE2 3.19Å; T179-H295 WeakPolarHBondContact OG1-CA 3.29Å; T179-H295 PolarHBondContact OG1-N 3.22Å; T179-H295 PolarHBondContact OG1-O 2.84Å; H246-H295 AromaticContact CE1-CD2 3.53Å; H246-H295 AromaticContact CE1-CE1 3.22Å; H246-H295 PolarHBondContact CE1-CE1 3.11Å; H246-H295 AromaticContact CE1-CG 3.95Å; H246-H295 AromaticContact CE1-ND1 3.76Å; H246-H295 AromaticContact CE1-NE2 3.04Å; H246-H295 PolarHBondContact CE1-NE2 2.66Å; H246-H295 AromaticContact NE2-CD2 3.23Å; H246-H295 PolarHBondContact NE2-CD2 3.28Å; H246-H295 AromaticContact NE2-CE1 3.22Å; H246-H295 PolarHBondContact NE2-CE1 2.85Å; H246-H295 AromaticContact NE2-CG 3.27Å; H246-H295 VanDerWaalsContact NE2-CG 3.27Å; H246-H295 AromaticContact NE2-ND1 3.25Å; H246-H295 PolarHBondContact NE2-ND1 3.07Å; H246-H295 AromaticContact NE2-NE2 3.22Å; H246-H295 PolarHBondContact NE2-NE2 2.75Å; H295-F297 AromaticContact CD2-CD1 3.46Å; H295-F297 VanDerWaalsContact CD2-CD1 3.46Å; H295-F297 WeakPolarHBondContact CD2-CD1 3.43Å; H295-F297 AromaticContact CD2-CE1 3.59Å; H295-F297 AromaticContact CE1-CD1 3.86Å; H295-F297 AromaticContact NE2-CD1 3.3Å; H295-F297 VanDerWaalsContact NE2-CD1 3.3Å; H295-F297 WeakPolarHBondContact NE2-CD1 3.39Å; H295-F297 AromaticContact NE2-CE1 3.82Å; H295-F297 WeakPolarHBondContact O-CD1 3.29Å; H295-F297 PolarHBondContact O-N 3.05Å; H295-T300 WeakPolarHBondContact CA-OG1 3.18Å; H295-T300 WeakPolarHBondContact ND1-CB 3.41Å; H295-T300 PolarHBondContact ND1-OG1 2.78Å
296P96.4Very high97.4Very high19 Ų1910.2 Ų10.212%0.1236%0.057CC..  trans-67.1109.5168.725.9-32000107.6E31 T179 G298 A299 T300E31-P296 HydrophobicContact CB-CB 3.8Å; T179-P296 VanDerWaalsContact OG1-CD 3.25Å; T179-P296 WeakPolarHBondContact OG1-CD 3.37Å; P296-G298 VanDerWaalsContact C-N 3.3Å; P296-G298 PolarHBondContact O-N 2.6Å; P296-A299 HydrophobicContact CB-CB 4Å; P296-A299 HydrophobicContact CG-CB 3.87Å; P296-A299 PolarHBondContact O-N 2.7Å; P296-T300 WeakPolarHBondContact CD-OG1 3.22Å; P296-T300 PolarHBondContact O-N 3.06Å; P296-T300 PolarHBondContact O-OG1 2.76Å
297F92.5Very high97.4Very high51 Ų519.3 Ų9.322%0.2245%0.051CC..THydrogen-bonded Turntrans-53.2-47.3-165-58.3-28.2000112.4C3 E31 M33 L178 H295 A299C3-F297 CarbonylContact C-O 3.42Å; E31-F297 HydrophobicContact CG-CB 4.18Å; M33-F297 HydrophobicContact CE-CD2 4.36Å; M33-F297 HydrophobicContact SD-CD2 4.16Å; M33-F297 HydrophobicContact SD-CE2 3.78Å; M33-F297 HydrophobicContact SD-CZ 4.49Å; L178-F297 HydrophobicContact CD2-CZ 4.49Å; H295-F297 AromaticContact CD2-CD1 3.46Å; H295-F297 VanDerWaalsContact CD2-CD1 3.46Å; H295-F297 WeakPolarHBondContact CD2-CD1 3.43Å; H295-F297 AromaticContact CD2-CE1 3.59Å; H295-F297 AromaticContact CE1-CD1 3.86Å; H295-F297 AromaticContact NE2-CD1 3.3Å; H295-F297 VanDerWaalsContact NE2-CD1 3.3Å; H295-F297 WeakPolarHBondContact NE2-CD1 3.39Å; H295-F297 AromaticContact NE2-CE1 3.82Å; H295-F297 WeakPolarHBondContact O-CD1 3.29Å; H295-F297 PolarHBondContact O-N 3.05Å; F297-A299 VanDerWaalsContact C-N 3.33Å; F297-A299 PolarHBondContact O-N 2.95Å
298G93.2Very high97.4Very high7 Ų78.8 Ų8.87%0.0725%0.049CC..THydrogen-bonded Turntrans-70.4-19.4178.600000115.7S6 G29 E31 P296S6-G298 WeakPolarHBondContact CB-O 3.49Å; S6-G298 PolarHBondContact N-O 2.92Å; S6-G298 PolarHBondContact OG-O 3.04Å; G29-G298 VanDerWaalsContact CA-O 3.26Å; G29-G298 WeakPolarHBondContact CA-O 3.39Å; E31-G298 PolarHBondContact OE2-N 3.41Å; P296-G298 VanDerWaalsContact C-N 3.3Å; P296-G298 PolarHBondContact O-N 2.6Å
299A97.7Very high97.4Very high2 Ų29.4 Ų9.42%0.0175%0.053CC..THydrogen-bonded Turntrans-111.8-29.8-168.700000113.8S6 G29 S183 P296 F297 G301 V302S6-A299 PolarHBondContact OG-O 2.96Å; G29-A299 WeakPolarHBondContact O-CB 3.34Å; S183-A299 WeakPolarHBondContact OG-CA 3.41Å; S183-A299 WeakPolarHBondContact OG-CB 3.36Å; S183-A299 PolarHBondContact OG-O 3.4Å; P296-A299 HydrophobicContact CB-CB 4Å; P296-A299 HydrophobicContact CG-CB 3.87Å; P296-A299 PolarHBondContact O-N 2.7Å; F297-A299 VanDerWaalsContact C-N 3.33Å; F297-A299 PolarHBondContact O-N 2.95Å; A299-G301 VanDerWaalsContact C-N 3.28Å; A299-G301 PolarHBondContact O-N 3.25Å; A299-V302 PolarHBondContact O-N 3.4Å
300T98Very high97.4Very high2 Ų210 Ų101%0.0126%0.056CC..Hα-helixtrans-51.2-36.8-168.4-63.70000115.9S290 H295 P296 V302 R303 L304S290-T300 WeakPolarHBondContact OG-CG2 3.49Å; H295-T300 WeakPolarHBondContact CA-OG1 3.18Å; H295-T300 WeakPolarHBondContact ND1-CB 3.41Å; H295-T300 PolarHBondContact ND1-OG1 2.78Å; P296-T300 WeakPolarHBondContact CD-OG1 3.22Å; P296-T300 PolarHBondContact O-N 3.06Å; P296-T300 PolarHBondContact O-OG1 2.76Å; T300-V302 PolarHBondContact O-N 2.91Å; T300-R303 PolarHBondContact O-N 3.2Å; T300-L304 HydrophobicContact CG2-CD1 3.98Å; T300-L304 HydrophobicContact CG2-CG 4.23Å; T300-L304 WeakPolarHBondContact O-CG 3.47Å; T300-L304 PolarHBondContact O-N 2.77Å
301G98Very high97.4Very high1 Ų110 Ų101%0.016%0.056CC..Hα-helixtrans-58.1-40.2178.100000115.4S6 N7 A299 L304 L305S6-G301 VanDerWaalsContact OG-CA 3.23Å; S6-G301 WeakPolarHBondContact OG-CA 3.27Å; S6-G301 PolarHBondContact OG-N 3.36Å; N7-G301 VanDerWaalsContact ND2-CA 3.31Å; N7-G301 WeakPolarHBondContact ND2-CA 3.4Å; A299-G301 VanDerWaalsContact C-N 3.28Å; A299-G301 PolarHBondContact O-N 3.25Å; G301-L304 PolarHBondContact O-N 2.81Å; G301-L305 PolarHBondContact O-N 2.93Å
302V98.3Very high97.4Very high3 Ų310 Ų102%0.0186%0.055CC..Hα-helixtrans-73.2-36177.3167.50000110.8S6 I10 S183 C185 A299 T300 L305 S306S6-V302 PolarHBondContact OG-N 3.47Å; I10-V302 HydrophobicContact CD1-CB 4.32Å; I10-V302 HydrophobicContact CD1-CG2 3.51Å; I10-V302 HydrophobicContact CG1-CG2 3.66Å; S183-V302 WeakPolarHBondContact OG-CB 3.24Å; C185-V302 HydrophobicContact CB-CG1 4.07Å; A299-V302 PolarHBondContact O-N 3.4Å; T300-V302 PolarHBondContact O-N 2.91Å; V302-L305 PolarHBondContact O-N 2.89Å; V302-S306 WeakPolarHBondContact O-CB 3.29Å; V302-S306 PolarHBondContact O-N 3.08Å
303R98.2Very high97.3Very high32 Ų3213.8 Ų13.812%0.1218%0.075CC..Hα-helixtrans-61.7-45.1171.8-170.6-84.1-61.7149.70.8111.6S290 T300 L305 S306 H307S290-R303 PolarHBondContact OG-NH2 3.36Å; T300-R303 PolarHBondContact O-N 3.2Å; R303-L305 VanDerWaalsContact C-N 3.33Å; R303-L305 PolarHBondContact O-N 3.31Å; R303-S306 WeakPolarHBondContact O-CB 3.26Å; R303-S306 PolarHBondContact O-N 3.32Å; R303-H307 PolarHBondContact O-N 2.75Å
304L98.5Very high97.3Very high0 Ų017.2 Ų17.20%09%0.094CC..Hα-helixtrans-58.2-43.8174-73.9166.2000111.8E244 H246 T300 G301 H307 A308 V322 A324E244-L304 HydrophobicContact CB-CD2 4.18Å; H246-L304 HydrophobicContact CB-CD1 3.99Å; T300-L304 HydrophobicContact CG2-CD1 3.98Å; T300-L304 HydrophobicContact CG2-CG 4.23Å; T300-L304 WeakPolarHBondContact O-CG 3.47Å; T300-L304 PolarHBondContact O-N 2.77Å; G301-L304 PolarHBondContact O-N 2.81Å; L304-H307 PolarHBondContact O-N 2.88Å; L304-A308 WeakPolarHBondContact O-CB 3.18Å; L304-A308 PolarHBondContact O-N 3.46Å; L304-V322 HydrophobicContact CB-CG1 3.75Å; L304-A324 HydrophobicContact CD1-CB 4.5Å
305L98.4Very high97.2Very high9 Ų920.5 Ų20.55%0.04711%0.108CC..Hα-helixtrans-61.8-44.4174.5174.561.7000112I10 L204 G301 V302 R303 A308 V309 V322 L334 V336I10-L305 HydrophobicContact CD1-CB 4.15Å; I10-L305 HydrophobicContact CD1-CD2 3.57Å; I10-L305 HydrophobicContact CG1-CD2 4.08Å; I10-L305 HydrophobicContact CG2-CD2 4.17Å; L204-L305 HydrophobicContact CD2-CD1 3.76Å; L204-L305 HydrophobicContact CD2-CD2 3.96Å; L204-L305 HydrophobicContact CD2-CG 4.49Å; G301-L305 PolarHBondContact O-N 2.93Å; V302-L305 PolarHBondContact O-N 2.89Å; R303-L305 VanDerWaalsContact C-N 3.33Å; R303-L305 PolarHBondContact O-N 3.31Å; L305-A308 PolarHBondContact O-N 2.91Å; L305-V309 HydrophobicContact CD1-CG2 4.02Å; L305-V309 WeakPolarHBondContact O-CG2 3.35Å; L305-V309 PolarHBondContact O-N 2.88Å; L305-V322 HydrophobicContact CD1-CG2 4.39Å; L305-L334 HydrophobicContact CD1-CD2 4.11Å; L305-V336 HydrophobicContact CD1-CG1 4.38Å; L305-V336 HydrophobicContact CD1-CG2 3.54Å
306S97.8Very high97.2Very high33 Ų3325.9 Ų25.923%0.23114%0.137CC..Hα-helixtrans-59.9-48.1178.8-165.70000111.5D129 V302 R303 A308 V309 N310D129-S306 WeakPolarHBondContact CB-OG 3.41Å; V302-S306 WeakPolarHBondContact O-CB 3.29Å; V302-S306 PolarHBondContact O-N 3.08Å; R303-S306 WeakPolarHBondContact O-CB 3.26Å; R303-S306 PolarHBondContact O-N 3.32Å; S306-A308 PolarHBondContact O-N 3.08Å; S306-V309 PolarHBondContact O-N 2.96Å; S306-N310 WeakPolarHBondContact O-CB 3.25Å; S306-N310 VanDerWaalsContact O-CG 3.23Å; S306-N310 PolarHBondContact O-N 3.06Å; S306-N310 PolarHBondContact O-ND2 3.31Å
307H97.9Very high97.2Very high3 Ų325.3 Ų25.31%0.01413%0.134CC..Hα-helixtrans-56.1-48.8172.5-85-143.9000111.8D129 E244 L293 R303 L304 V309 N310 R311D129-H307 IonicContact OD1-CD2 2.94Å; D129-H307 IonicContact OD1-NE2 3.75Å; D129-H307 IonicContact OD2-CD2 3.22Å; D129-H307 PolarHBondContact OD2-CD2 3.15Å; D129-H307 VanDerWaalsContact OD2-CD2 3.24Å; D129-H307 IonicContact OD2-NE2 3.74Å; E244-H307 HydrophobicContact CG-CB 4.05Å; E244-H307 IonicContact OE2-ND1 3.24Å; L293-H307 WeakPolarHBondContact CD1-CE1 3.5Å; R303-H307 PolarHBondContact O-N 2.75Å; L304-H307 PolarHBondContact O-N 2.88Å; H307-V309 VanDerWaalsContact C-N 3.35Å; H307-V309 PolarHBondContact O-N 3.37Å; H307-N310 PolarHBondContact O-N 3.15Å; H307-R311 VanDerWaalsContact O-CB 3.28Å; H307-R311 WeakPolarHBondContact O-CB 3.24Å; H307-R311 VanDerWaalsContact O-CG 3.26Å; H307-R311 WeakPolarHBondContact O-CG 3.25Å; H307-R311 PolarHBondContact O-N 2.69Å
308A98.5Very high97.5Very high0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-59.9-45.9-178.400000111.8V242 E244 L304 L305 S306 R311 L312 A320 V322V242-A308 HydrophobicContact CG1-CB 4.47Å; E244-A308 HydrophobicContact CB-CB 4.1Å; E244-A308 HydrophobicContact CG-CB 3.76Å; L304-A308 WeakPolarHBondContact O-CB 3.18Å; L304-A308 PolarHBondContact O-N 3.46Å; L305-A308 PolarHBondContact O-N 2.91Å; S306-A308 PolarHBondContact O-N 3.08Å; A308-R311 PolarHBondContact O-N 2.86Å; A308-L312 WeakPolarHBondContact O-CG 3.38Å; A308-L312 PolarHBondContact O-N 3.4Å; A308-A320 HydrophobicContact CB-CB 4Å; A308-V322 HydrophobicContact CB-CG2 3.49Å; A308-V322 VanDerWaalsContact CB-CG2 3.49Å
309V98.1Very high97.8Very high14 Ų1429.8 Ų29.89%0.08515%0.151CC..Hα-helixtrans-64.5-45.7178.2172.80000111.3K201 A202 L305 S306 H307 R311 L312 I313 V336K201-V309 HydrophobicContact CB-CG1 3.49Å; K201-V309 VanDerWaalsContact CB-CG1 3.49Å; K201-V309 HydrophobicContact CD-CG1 4.41Å; A202-V309 HydrophobicContact CB-CB 4.45Å; A202-V309 HydrophobicContact CB-CG1 3.95Å; A202-V309 HydrophobicContact CB-CG2 3.72Å; L305-V309 HydrophobicContact CD1-CG2 4.02Å; L305-V309 WeakPolarHBondContact O-CG2 3.35Å; L305-V309 PolarHBondContact O-N 2.88Å; S306-V309 PolarHBondContact O-N 2.96Å; H307-V309 VanDerWaalsContact C-N 3.35Å; H307-V309 PolarHBondContact O-N 3.37Å; V309-R311 VanDerWaalsContact C-N 3.34Å; V309-L312 PolarHBondContact O-N 3.41Å; V309-I313 HydrophobicContact CG1-CD1 4.17Å; V309-I313 WeakPolarHBondContact O-CG1 3.4Å; V309-I313 PolarHBondContact O-N 2.97Å; V309-V336 HydrophobicContact CG2-CG1 3.79Å
310N97.6Very high97.8Very high12 Ų1229.7 Ų29.76%0.06415%0.15CC..Hα-helixtrans-64.3-40.9179.4-72.4-22000111.7T128 K201 W287 S306 H307 I313 D314T128-N310 PolarHBondContact OG1-ND2 3.33Å; K201-N310 WeakPolarHBondContact CE-OD1 3.36Å; K201-N310 PolarHBondContact NZ-OD1 3.43Å; W287-N310 HydrophobicContact CH2-CB 3.64Å; W287-N310 HydrophobicContact CZ3-CB 3.41Å; W287-N310 VanDerWaalsContact CZ3-CB 3.41Å; S306-N310 WeakPolarHBondContact O-CB 3.25Å; S306-N310 VanDerWaalsContact O-CG 3.23Å; S306-N310 PolarHBondContact O-N 3.06Å; S306-N310 PolarHBondContact O-ND2 3.31Å; H307-N310 PolarHBondContact O-N 3.15Å; N310-I313 PolarHBondContact O-N 2.97Å; N310-D314 WeakPolarHBondContact O-CB 3.27Å; N310-D314 PolarHBondContact O-N 3.21Å
311R98.1Very high97.9Very high0 Ų029.6 Ų29.60%015%0.149CC..Hα-helixtrans-64.4-43.2175.5-76.4-173.965.4-147.2-17.7112.5V242 F243 E244 K283 C286 W287 H307 A308 V309 I313 D314 E315V242-R311 HydrophobicContact CG1-CB 3.9Å; V242-R311 HydrophobicContact CG2-CB 4.01Å; F243-R311 PolarHBondContact O-NH1 3.21Å; E244-R311 WeakPolarHBondContact OE1-CD 3.17Å; E244-R311 IonicContact OE1-CZ 2.97Å; E244-R311 IonicContact OE1-NE 3.25Å; E244-R311 IonicContact OE1-NH1 2.77Å; E244-R311 PolarHBondContact OE1-NH1 3.23Å; K283-R311 PolarHBondContact O-NH1 3.39Å; K283-R311 VanDerWaalsContact O-NH1 3.11Å; K283-R311 PolarHBondContact O-NH2 3.18Å; C286-R311 VanDerWaalsContact CB-CZ 3.49Å; C286-R311 VanDerWaalsContact N-NH1 3.13Å; C286-R311 PolarHBondContact SG-NH2 3.2Å; C286-R311 VanDerWaalsContact SG-NH2 3.35Å; W287-R311 HydrophobicContact CD2-CG 3.46Å; W287-R311 VanDerWaalsContact CD2-CG 3.46Å; W287-R311 HydrophobicContact CE3-CG 3.79Å; W287-R311 HydrophobicContact CG-CG 3.98Å; W287-R311 HydrophobicContact CH2-CG 3.97Å; W287-R311 HydrophobicContact CZ2-CB 4.35Å; W287-R311 HydrophobicContact CZ2-CG 3.62Å; W287-R311 HydrophobicContact CZ3-CG 4.05Å; H307-R311 VanDerWaalsContact O-CB 3.28Å; H307-R311 WeakPolarHBondContact O-CB 3.24Å; H307-R311 VanDerWaalsContact O-CG 3.26Å; H307-R311 WeakPolarHBondContact O-CG 3.25Å; H307-R311 PolarHBondContact O-N 2.69Å; A308-R311 PolarHBondContact O-N 2.86Å; V309-R311 VanDerWaalsContact C-N 3.34Å; R311-I313 PolarHBondContact O-N 2.92Å; R311-D314 PolarHBondContact O-N 3.29Å; R311-E315 IonicContact CZ-OE1 2.68Å; R311-E315 IonicContact CZ-OE2 3.95Å; R311-E315 IonicContact NE-OE1 3.93Å; R311-E315 PolarHBondContact NE-OE1 3.42Å; R311-E315 IonicContact NE-OE2 3.72Å; R311-E315 IonicContact NH2-OE1 2.71Å; R311-E315 PolarHBondContact NH2-OE1 3Å; R311-E315 IonicContact NH2-OE2 3.14Å; R311-E315 PolarHBondContact NH2-OE2 3.33Å; R311-E315 WeakPolarHBondContact O-CA 3.34Å; R311-E315 WeakPolarHBondContact O-CB 3.27Å; R311-E315 WeakPolarHBondContact O-CG 3.15Å; R311-E315 PolarHBondContact O-N 2.75Å
312L98.1Very high97.9Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-57.9-36.7174.7-74.2174.3000112.3D241 V242 A308 V309 N316 G317 A320 V336 R338D241-L312 HydrophobicContact CB-CD2 4.41Å; V242-L312 HydrophobicContact CB-CD2 4.02Å; V242-L312 HydrophobicContact CB-CG 4.36Å; V242-L312 HydrophobicContact CG2-CD2 3.79Å; V242-L312 HydrophobicContact CG2-CG 4.22Å; A308-L312 WeakPolarHBondContact O-CG 3.38Å; A308-L312 PolarHBondContact O-N 3.4Å; V309-L312 PolarHBondContact O-N 3.41Å; L312-N316 CarbonylContact O-C 3.5Å; L312-N316 WeakPolarHBondContact O-CA 3.27Å; L312-N316 PolarHBondContact O-N 2.79Å; L312-G317 PolarHBondContact O-N 2.82Å; L312-A320 HydrophobicContact CD1-CB 3.61Å; L312-A320 HydrophobicContact CD2-CB 4.01Å; L312-A320 HydrophobicContact CG-CB 3.81Å; L312-V336 HydrophobicContact CD1-CG1 4.31Å; L312-R338 HydrophobicContact CB-CB 4.05Å; L312-R338 HydrophobicContact CD1-CB 4.22Å; L312-R338 VanDerWaalsContact O-CD 3.31Å; L312-R338 WeakPolarHBondContact O-CD 3.22Å; L312-R338 PolarHBondContact O-NE 3.3Å
313I96.7Very high97.9Very high80 Ų8029.4 Ų29.441%0.4115%0.148SC..Hα-helixtrans-72.5-50.8178.5-66.2166.3000110.7K201 V309 N310 R311 N316 R338K201-I313 HydrophobicContact CB-CD1 4Å; K201-I313 HydrophobicContact CG-CD1 4.31Å; V309-I313 HydrophobicContact CG1-CD1 4.17Å; V309-I313 WeakPolarHBondContact O-CG1 3.4Å; V309-I313 PolarHBondContact O-N 2.97Å; N310-I313 PolarHBondContact O-N 2.97Å; R311-I313 PolarHBondContact O-N 2.92Å; I313-N316 PolarHBondContact O-N 3.17Å; I313-R338 HydrophobicContact CG1-CG 4.23Å
314D96.5Very high97.9Very high85 Ų8527.9 Ų27.946%0.45514%0.143SC..Hα-helixtrans-66.2-39.5-177.8-175.475.8000112.7K126 W287 N310 R311 N316K126-D314 IonicContact NZ-OD1 2.76Å; K126-D314 IonicContact NZ-OD2 3.52Å; K126-D314 PolarHBondContact NZ-OD2 3.47Å; W287-D314 HydrophobicContact CH2-CB 3.97Å; W287-D314 HydrophobicContact CZ2-CB 3.6Å; W287-D314 WeakPolarHBondContact CZ2-OD2 3.39Å; N310-D314 WeakPolarHBondContact O-CB 3.27Å; N310-D314 PolarHBondContact O-N 3.21Å; R311-D314 PolarHBondContact O-N 3.29Å; D314-N316 VanDerWaalsContact C-N 3.35Å
315E96.3Very high97.8Very high73 Ų7328 Ų2834%0.34114%0.143SC..THydrogen-bonded Turntrans-92.53.8-177.6-57170.7-161.200112.1R311 G317R311-E315 IonicContact CZ-OE1 2.68Å; R311-E315 IonicContact CZ-OE2 3.95Å; R311-E315 IonicContact NE-OE1 3.93Å; R311-E315 PolarHBondContact NE-OE1 3.42Å; R311-E315 IonicContact NE-OE2 3.72Å; R311-E315 IonicContact NH2-OE1 2.71Å; R311-E315 PolarHBondContact NH2-OE1 3Å; R311-E315 IonicContact NH2-OE2 3.14Å; R311-E315 PolarHBondContact NH2-OE2 3.33Å; R311-E315 WeakPolarHBondContact O-CA 3.34Å; R311-E315 WeakPolarHBondContact O-CB 3.27Å; R311-E315 WeakPolarHBondContact O-CG 3.15Å; R311-E315 PolarHBondContact O-N 2.75Å; E315-G317 PolarHBondContact O-N 2.89Å; E315-G317 VanDerWaalsContact O-N 3.08Å
316N96.3Very high97.7Very high118 Ų11827.5 Ų27.563%0.63114%0.141SC*.THydrogen-bonded Turntrans53.623.4-176.4-166.536000114.7L312 I313 D314 R338L312-N316 CarbonylContact O-C 3.5Å; L312-N316 WeakPolarHBondContact O-CA 3.27Å; L312-N316 PolarHBondContact O-N 2.79Å; I313-N316 PolarHBondContact O-N 3.17Å; D314-N316 VanDerWaalsContact C-N 3.35Å; N316-R338 PolarHBondContact O-NH2 3.4Å; N316-R338 VanDerWaalsContact O-NH2 3.13Å; N316-R338 PolarHBondContact OD1-NH2 2.98Å
317G97.5Very high97.4Very high7 Ų727.2 Ų27.27%0.07214%0.14CC..  trans-69.9161.3176.300000112.9L312 E315 R338L312-G317 PolarHBondContact O-N 2.82Å; E315-G317 PolarHBondContact O-N 2.89Å; E315-G317 VanDerWaalsContact O-N 3.08Å; G317-R338 PolarHBondContact O-NE 3.18Å; G317-R338 PolarHBondContact O-NH2 3.48Å
318K98.1Very high97.1Very high109 Ų10928.7 Ų28.747%0.47416%0.156SC..SBendtrans-101.4-46.9179.1-170.2178.4-177.9-163.40112.4D241 E337 R338D241-K318 PolarHBondContact OD2-N 3.27Å; K318-E337 WeakPolarHBondContact O-CA 3.39Å; K318-R338 PolarHBondContact O-N 3.24Å
319Y98.6Very high96.9Very high42 Ų4228.7 Ų28.717%0.16516%0.156CC..EExtended strand (participates in β ladder)trans-123136-174.3-64.8-65.7000112.5M235 D241 V242 L335 V336 E337M235-Y319 HydrophobicContact CE-CD1 4.44Å; M235-Y319 HydrophobicContact CE-CD2 3.57Å; M235-Y319 HydrophobicContact CE-CE2 3.9Å; M235-Y319 HydrophobicContact CE-CG 3.87Å; D241-Y319 PolarHBondContact N-O 3.11Å; D241-Y319 PolarHBondContact OD2-N 3.35Å; V242-Y319 PolarHBondContact N-O 3.02Å; Y319-L335 HydrophobicContact CD1-CD1 4.17Å; Y319-V336 WeakPolarHBondContact CA-O 3.4Å; Y319-E337 HydrophobicContact CD1-CB 3.91Å; Y319-E337 HydrophobicContact CD1-CG 4.11Å; Y319-E337 HydrophobicContact CE1-CB 3.74Å; Y319-E337 HydrophobicContact CE1-CG 3.57Å; Y319-E337 WeakPolarHBondContact CE1-OE1 3.32Å; Y319-E337 PolarHBondContact OH-OE1 2.91Å
320A98.8Very high96.8Very high0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-122.4149.2171.400000111.8V242 A308 L312 V336V242-A320 HydrophobicContact CB-CB 3.77Å; V242-A320 HydrophobicContact CG1-CB 3.97Å; V242-A320 CarbonylContact O-C 3.46Å; V242-A320 WeakPolarHBondContact O-CA 3.24Å; V242-A320 WeakPolarHBondContact O-CB 3.2Å; A308-A320 HydrophobicContact CB-CB 4Å; L312-A320 HydrophobicContact CD1-CB 3.61Å; L312-A320 HydrophobicContact CD2-CB 4.01Å; L312-A320 HydrophobicContact CG-CB 3.81Å; A320-V336 HydrophobicContact CB-CB 4.34Å; A320-V336 PolarHBondContact N-O 2.62Å; A320-V336 PolarHBondContact O-N 3.27Å
321I98.8Very high96.8Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-111.7123.4165.1-69.7-178.1000109.1I226 L229 L230 I240 V242 F243 E244 L334 L335I226-I321 HydrophobicContact CD1-CG2 4.41Å; I226-I321 HydrophobicContact CG1-CG2 4.07Å; I226-I321 HydrophobicContact CG2-CD1 4.21Å; L229-I321 HydrophobicContact CD2-CD1 4.37Å; L229-I321 HydrophobicContact CD2-CG1 4.38Å; L230-I321 HydrophobicContact CD2-CD1 3.9Å; L230-I321 HydrophobicContact CG-CD1 4.27Å; I240-I321 HydrophobicContact CD1-CD1 3.92Å; I240-I321 HydrophobicContact CD1-CG1 3.95Å; I240-I321 HydrophobicContact CG1-CD1 3.74Å; I240-I321 HydrophobicContact CG1-CG1 4.05Å; I240-I321 HydrophobicContact CG2-CB 4.26Å; I240-I321 HydrophobicContact CG2-CD1 4.43Å; I240-I321 HydrophobicContact CG2-CG1 3.98Å; V242-I321 PolarHBondContact O-N 3.1Å; F243-I321 HydrophobicContact CD1-CB 4.06Å; F243-I321 HydrophobicContact CE1-CB 4.23Å; F243-I321 HydrophobicContact CE1-CD1 4.22Å; E244-I321 PolarHBondContact N-O 2.99Å; I321-L334 WeakPolarHBondContact CA-O 3.29Å; I321-L335 HydrophobicContact CG1-CD1 4.43Å
322V98.8Very high96.8Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-98.2124.5167.3177.60000107.9E244 L304 L305 A308 A333 L334 V336E244-V322 HydrophobicContact CB-CG2 4.42Å; E244-V322 CarbonylContact O-C 3.51Å; E244-V322 VanDerWaalsContact O-CA 3.3Å; E244-V322 WeakPolarHBondContact O-CA 3.29Å; L304-V322 HydrophobicContact CB-CG1 3.75Å; L305-V322 HydrophobicContact CD1-CG2 4.39Å; A308-V322 HydrophobicContact CB-CG2 3.49Å; A308-V322 VanDerWaalsContact CB-CG2 3.49Å; V322-A333 CarbonylContact O-C 2.87Å; V322-A333 VanDerWaalsContact O-CA 3.26Å; V322-A333 WeakPolarHBondContact O-CA 3.22Å; V322-L334 HydrophobicContact CB-CB 4.5Å; V322-L334 PolarHBondContact N-O 3.17Å; V322-L334 PolarHBondContact O-N 3.49Å; V322-V336 HydrophobicContact CG2-CG2 4.26Å
323S98.7Very high96.8Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-141.7145.9-179.8-170.50000113.5P222 E244 M245 H246 H332P222-S323 WeakPolarHBondContact CA-OG 3.42Å; P222-S323 WeakPolarHBondContact CB-OG 3.3Å; E244-S323 PolarHBondContact O-N 3.34Å; M245-S323 CarbonylContact C-O 3.5Å; M245-S323 VanDerWaalsContact CA-O 3.24Å; M245-S323 WeakPolarHBondContact CA-O 3.24Å; H246-S323 PolarHBondContact N-O 3.26Å; S323-H332 VanDerWaalsContact CA-O 3.23Å; S323-H332 WeakPolarHBondContact CA-O 3.24Å; S323-H332 WeakPolarHBondContact CB-O 3.34Å; S323-H332 PolarHBondContact OG-O 2.87Å
324A98.4Very high96.9Very high1 Ų125.5 Ų25.51%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-146.4143.1-176.600000112.5I4 H246 L304 G331 H332I4-A324 HydrophobicContact CG2-CB 3.6Å; H246-A324 HydrophobicContact CB-CB 3.58Å; L304-A324 HydrophobicContact CD1-CB 4.5Å; A324-G331 WeakPolarHBondContact O-CA 2.99Å; A324-H332 PolarHBondContact N-O 3.12Å; A324-H332 PolarHBondContact O-N 2.88Å
325C97Very high97Very high1 Ų121.7 Ų21.71%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-86.1158.216263.20000110.2C3 L219 P222 H246C3-C325 WeakPolarHBondContact CB-O 3.47Å; L219-C325 HydrophobicContact CD2-CB 4.43Å; P222-C325 HydrophobicContact CG-CB 4.44Å; H246-C325 PolarHBondContact ND1-O 3.45Å
326A95.4Very high97.1Very high0 Ų018.2 Ų18.20%010%0.103CC..EExtended strand (participates in β ladder)trans-149.1151.1177.300000112.1A2 C3 I4 L330A2-A326 HydrophobicContact CB-CB 4.1Å; C3-A326 HydrophobicContact CB-CB 3.93Å; I4-A326 HydrophobicContact CB-CB 4.31Å; I4-A326 HydrophobicContact CD1-CB 4.02Å; I4-A326 HydrophobicContact CG1-CB 3.74Å; I4-A326 HydrophobicContact CG2-CB 3.95Å; A326-L330 HydrophobicContact CB-CB 4.03Å; A326-L330 PolarHBondContact N-O 3.48Å; A326-L330 PolarHBondContact O-N 3.47Å; A326-L330 VanDerWaalsContact O-N 3.14Å
327A92.4Very high97.2Very high27 Ų2713.5 Ų13.522%0.2238%0.077CC..THydrogen-bonded Turntrans-55.2156.8166.100000111.4A2 M89 G329A2-A327 HydrophobicContact CB-CB 3.91Å; A2-A327 WeakPolarHBondContact CB-O 3.31Å; M89-A327 HydrophobicContact CE-CB 4.07Å; M89-A327 HydrophobicContact SD-CB 3.93Å; A327-G329 VanDerWaalsContact C-N 3.31Å
328G91.3Very high97.2Very high33 Ų3315.8 Ų15.834%0.348%0.083SC..THydrogen-bonded Turntrans82.17.5-16700000114E82E82-G328 WeakPolarHBondContact OE1-CA 3.29Å; E82-G328 PolarHBondContact OE1-N 2.98Å
329G92.8Very high97Very high0 Ų012.1 Ų12.10%07%0.068CC..THydrogen-bonded Turntrans63.446.9-174.300000111.8A211 Q212 A327A211-G329 CarbonylContact C-O 3.48Å; A211-G329 WeakPolarHBondContact CA-O 3.18Å; Q212-G329 PolarHBondContact N-O 3.35Å; Q212-G329 PolarHBondContact OE1-O 2.9Å; Q212-G329 VanDerWaalsContact OE1-O 3.12Å; A327-G329 VanDerWaalsContact C-N 3.31Å
330L96Very high95.9Very high39 Ų3914.1 Ų14.120%0.2049%0.093CC..EExtended strand (participates in β ladder)trans-114.6153.5-175.7-61.4173.1000111M1 I4 V210 A211 A326M1-L330 HydrophobicContact CE-CD1 3.79Å; M1-L330 HydrophobicContact CE-CD2 4.25Å; M1-L330 HydrophobicContact CE-CG 4.47Å; M1-L330 HydrophobicContact CG-CD1 3.76Å; I4-L330 HydrophobicContact CD1-CB 3.93Å; V210-L330 WeakPolarHBondContact O-CA 3.13Å; A211-L330 HydrophobicContact CB-CD2 3.86Å; A326-L330 HydrophobicContact CB-CB 4.03Å; A326-L330 PolarHBondContact N-O 3.48Å; A326-L330 PolarHBondContact O-N 3.47Å; A326-L330 VanDerWaalsContact O-N 3.14Å
331G97.7Very high94.3Very high0 Ų019 Ų190%014%0.144CC..EExtended strand (participates in β ladder)trans-144.6156.7175.700000112.7Y209 V210 A324Y209-G331 WeakPolarHBondContact CA-O 3.2Å; V210-G331 PolarHBondContact N-O 3.07Å; V210-G331 PolarHBondContact O-N 3.38Å; A324-G331 WeakPolarHBondContact O-CA 2.99Å
332H98.5Very high94.1Very high0 Ų019.9 Ų19.90%015%0.151CC..EExtended strand (participates in β ladder)trans-138.6145.9177.6172.2-105.7000111I4 N7 V208 Y209 S323 A324 L334I4-H332 HydrophobicContact CB-CB 4.41Å; I4-H332 HydrophobicContact CD1-CB 4.26Å; I4-H332 HydrophobicContact CG2-CB 4Å; N7-H332 PolarHBondContact OD1-CE1 3.45Å; N7-H332 PolarHBondContact OD1-ND1 3.33Å; V208-H332 WeakPolarHBondContact O-CA 3.42Å; V208-H332 PolarHBondContact O-CD2 3.5Å; Y209-H332 HydrophobicContact CD1-CB 3.9Å; Y209-H332 AromaticContact CD1-CD2 3.85Å; Y209-H332 HydrophobicContact CE1-CB 3.72Å; Y209-H332 AromaticContact CE1-CD2 3.35Å; Y209-H332 WeakPolarHBondContact CE1-CD2 3.05Å; Y209-H332 AromaticContact CE1-CG 3.74Å; Y209-H332 AromaticContact CE2-CD2 3.93Å; Y209-H332 AromaticContact CZ-CD2 3.38Å; S323-H332 VanDerWaalsContact CA-O 3.23Å; S323-H332 WeakPolarHBondContact CA-O 3.24Å; S323-H332 WeakPolarHBondContact CB-O 3.34Å; S323-H332 PolarHBondContact OG-O 2.87Å; A324-H332 PolarHBondContact N-O 3.12Å; A324-H332 PolarHBondContact O-N 2.88Å; H332-L334 VanDerWaalsContact CE1-CB 3.41Å; H332-L334 WeakPolarHBondContact CE1-CB 3.39Å
333A98.8Very high93.9Very high0 Ų020.9 Ų20.90%016%0.159CC..EExtended strand (participates in β ladder)trans-141.1139.7163.200000110.3Y207 V208 A225 I226 L229 V322Y207-A333 CarbonylContact C-O 3.52Å; Y207-A333 VanDerWaalsContact CA-O 3.24Å; Y207-A333 WeakPolarHBondContact CA-O 3.29Å; V208-A333 HydrophobicContact CG2-CB 4.07Å; V208-A333 PolarHBondContact N-O 2.79Å; V208-A333 PolarHBondContact O-N 3.43Å; A225-A333 HydrophobicContact CB-CB 3.65Å; I226-A333 HydrophobicContact CG1-CB 4.24Å; L229-A333 HydrophobicContact CB-CB 4.24Å; L229-A333 HydrophobicContact CD2-CB 3.8Å; V322-A333 CarbonylContact O-C 2.87Å; V322-A333 VanDerWaalsContact O-CA 3.26Å; V322-A333 WeakPolarHBondContact O-CA 3.22Å
334L98.8Very high93.6Very high0 Ų022.1 Ų22.10%017%0.168CC..EExtended strand (participates in β ladder)trans-131.3129.9179.2166.569.7000109.7I10 M14 L204 L305 I321 V322 H332 V336I10-L334 HydrophobicContact CG2-CD2 4.37Å; M14-L334 HydrophobicContact CE-CD1 4.12Å; M14-L334 HydrophobicContact SD-CD1 4.14Å; L204-L334 HydrophobicContact CD2-CD2 4.34Å; L305-L334 HydrophobicContact CD1-CD2 4.11Å; I321-L334 WeakPolarHBondContact CA-O 3.29Å; V322-L334 HydrophobicContact CB-CB 4.5Å; V322-L334 PolarHBondContact N-O 3.17Å; V322-L334 PolarHBondContact O-N 3.49Å; H332-L334 VanDerWaalsContact CE1-CB 3.41Å; H332-L334 WeakPolarHBondContact CE1-CB 3.39Å; L334-V336 HydrophobicContact CD2-CG2 4.13Å; L334-V336 HydrophobicContact CG-CG2 4.01Å
335L98.7Very high93.3Very high6 Ų623.4 Ų23.43%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-84.9131.8169.3179.773.3000109.6R205 E206 L229 I233 M235 I240 Y319 I321R205-L335 HydrophobicContact CB-CB 4.07Å; R205-L335 HydrophobicContact CB-CD2 3.72Å; R205-L335 HydrophobicContact CB-CG 3.96Å; R205-L335 WeakPolarHBondContact CB-O 3.49Å; R205-L335 HydrophobicContact CG-CD2 4.09Å; R205-L335 HydrophobicContact CG-CG 4.3Å; R205-L335 PolarHBondContact N-O 2.85Å; E206-L335 PolarHBondContact O-N 3.02Å; L229-L335 HydrophobicContact CD1-CB 4.42Å; L229-L335 HydrophobicContact CD2-CB 4.21Å; I233-L335 HydrophobicContact CD1-CB 4.47Å; I233-L335 HydrophobicContact CD1-CD1 4.23Å; I233-L335 HydrophobicContact CD1-CD2 3.7Å; I233-L335 HydrophobicContact CD1-CG 4.35Å; I233-L335 HydrophobicContact CG2-CD2 4.43Å; M235-L335 HydrophobicContact SD-CD2 4.24Å; I240-L335 HydrophobicContact CD1-CD1 3.99Å; Y319-L335 HydrophobicContact CD1-CD1 4.17Å; I321-L335 HydrophobicContact CG1-CD1 4.43Å
336V98.5Very high93.1Very high0 Ų024.8 Ų24.80%019%0.188CC..EExtended strand (participates in β ladder)trans-123.1134.4176.4-174.30000108.7A202 L204 L305 V309 L312 Y319 A320 V322 L334A202-V336 HydrophobicContact CB-CG1 3.62Å; L204-V336 HydrophobicContact CD2-CG2 4.39Å; L305-V336 HydrophobicContact CD1-CG1 4.38Å; L305-V336 HydrophobicContact CD1-CG2 3.54Å; V309-V336 HydrophobicContact CG2-CG1 3.79Å; L312-V336 HydrophobicContact CD1-CG1 4.31Å; Y319-V336 WeakPolarHBondContact CA-O 3.4Å; A320-V336 HydrophobicContact CB-CB 4.34Å; A320-V336 PolarHBondContact N-O 2.62Å; A320-V336 PolarHBondContact O-N 3.27Å; V322-V336 HydrophobicContact CG2-CG2 4.26Å; L334-V336 HydrophobicContact CD2-CG2 4.13Å; L334-V336 HydrophobicContact CG-CG2 4.01Å
337E98.4Very high92.9Very high19 Ų1926.4 Ų26.49%0.08920%0.2CC..EExtended strand (participates in β ladder)trans-116.9125178.5175.6176.9-137.200109.5A202 R203 R205 K318 Y319A202-E337 CarbonylContact C-O 3.54Å; A202-E337 VanDerWaalsContact CA-O 3.24Å; A202-E337 WeakPolarHBondContact CA-O 3.43Å; A202-E337 WeakPolarHBondContact CB-O 3.41Å; R203-E337 HydrophobicContact CB-CB 4.42Å; R203-E337 PolarHBondContact N-O 2.78Å; R203-E337 PolarHBondContact O-N 2.83Å; R205-E337 WeakPolarHBondContact CD-OE2 3.48Å; R205-E337 HydrophobicContact CG-CB 3.8Å; R205-E337 IonicContact CZ-OE2 3.69Å; R205-E337 IonicContact NE-OE2 3.32Å; R205-E337 IonicContact NH1-OE2 3.51Å; R205-E337 PolarHBondContact NH1-OE2 3.03Å; K318-E337 WeakPolarHBondContact O-CA 3.39Å; Y319-E337 HydrophobicContact CD1-CB 3.91Å; Y319-E337 HydrophobicContact CD1-CG 4.11Å; Y319-E337 HydrophobicContact CE1-CB 3.74Å; Y319-E337 HydrophobicContact CE1-CG 3.57Å; Y319-E337 WeakPolarHBondContact CE1-OE1 3.32Å; Y319-E337 PolarHBondContact OH-OE1 2.91Å
338R97.7Very high93Very high55 Ų5526.4 Ų26.421%0.20820%0.198CC..EExtended strand (participates in β ladder)trans-66.1139174.2-177.117359.495.9-4.9110.4L312 I313 N316 G317 K318L312-R338 HydrophobicContact CB-CB 4.05Å; L312-R338 HydrophobicContact CD1-CB 4.22Å; L312-R338 VanDerWaalsContact O-CD 3.31Å; L312-R338 WeakPolarHBondContact O-CD 3.22Å; L312-R338 PolarHBondContact O-NE 3.3Å; I313-R338 HydrophobicContact CG1-CG 4.23Å; N316-R338 PolarHBondContact O-NH2 3.4Å; N316-R338 VanDerWaalsContact O-NH2 3.13Å; N316-R338 PolarHBondContact OD1-NH2 2.98Å; G317-R338 PolarHBondContact O-NE 3.18Å; G317-R338 PolarHBondContact O-NH2 3.48Å; K318-R338 PolarHBondContact O-N 3.24Å
339I93.4Very high93.1Very high31 Ų3125.8 Ų25.816%0.15919%0.187CC..PPolyproline II helixtrans-86121.8170.6-66.1167.7000107.5P200 K201 R203 G341P200-I339 HydrophobicContact CB-CD1 3.34Å; P200-I339 HydrophobicContact CG-CD1 4.39Å; K201-I339 PolarHBondContact O-N 2.74Å; R203-I339 HydrophobicContact CG-CD1 3.61Å; R203-I339 HydrophobicContact CG-CG1 3.62Å; I339-G341 PolarHBondContact O-N 2.96Å
340A75.3Confident93.1Very high84 Ų8428 Ų2869%0.69420%0.203SC*.PPolyproline II helixtrans-59.1123.1170.900000108.2
341G65.8Low92.9Very high102 Ų10227 Ų27100%1.05220%0.203SC*.  trans-87.70-166.600000114.9K199 I339K199-G341 WeakPolarHBondContact CE-OXT 3.34Å; K199-G341 PolarHBondContact NZ-OXT 3.21Å; I339-G341 PolarHBondContact O-N 2.96Å

Retrieved 341 of 341 residues in 317.8 ms (Link to these results)

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