A0A3B3VK24_9TELE Loading...

5-aminolevulinate synthase

Catalyzes the pyridoxal 5'-phosphate (PLP)-dependent condensation of succinyl-CoA and glycine to form aminolevulinic acid (ALA), with CoA and CO2 as by-products.

AlphaFold DB , UniProt , Accession A0A3B3VK24, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 623 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
1M50.3Low55.9Low141 Ų14189.3 Ų89.370%0.69543%0.429SS*.  0-38.70-70.9-162.9-147.100113.9V3 I4 V27M1-V3 PolarHBondContact O-N 2.88Å; M1-I4 PolarHBondContact O-N 3.34Å; M1-V27 HydrophobicContact SD-CG1 3.69Å
2E53.1Low56.1Low97 Ų9788.1 Ų88.145%0.45345%0.445SS..Hα-helixtrans-58.8-31-179.3-65-163.2146.400114.6I4 V5 R6 R23E2-I4 VanDerWaalsContact C-N 3.33Å; E2-I4 PolarHBondContact O-N 3.03Å; E2-V5 PolarHBondContact O-N 2.67Å; E2-R6 PolarHBondContact O-N 3.31Å; E2-R6 IonicContact OE2-NH2 3.38Å; E2-R23 IonicContact OE1-CZ 2.7Å; E2-R23 IonicContact OE1-NH2 3.23Å; E2-R23 PolarHBondContact OE1-NH2 2.99Å
3V54.5Low56Low69 Ų6990.1 Ų90.142%0.41847%0.47SS..Hα-helixtrans-61-37.2-179.9-176.70000112.8M1 R7 M44M1-V3 PolarHBondContact O-N 2.88Å; V3-R7 HydrophobicContact CG1-CG 4.45Å; V3-R7 WeakPolarHBondContact O-CB 3.42Å; V3-R7 VanDerWaalsContact O-CG 3.32Å; V3-R7 WeakPolarHBondContact O-CG 3.33Å; V3-R7 PolarHBondContact O-N 3.4Å; V3-R7 VanDerWaalsContact O-N 3.14Å; V3-M44 HydrophobicContact CG1-SD 4.16Å; V3-M44 HydrophobicContact CG2-SD 4.42Å
4I57.8Low56.3Low39 Ų3986.3 Ų86.320%0.245%0.452CS..Hα-helixtrans-67.3-43.6180-58.9-179.2000110M1 E2 R7 A30 M36 A40M1-I4 PolarHBondContact O-N 3.34Å; E2-I4 VanDerWaalsContact C-N 3.33Å; E2-I4 PolarHBondContact O-N 3.03Å; I4-R7 PolarHBondContact O-N 3.37Å; I4-A30 HydrophobicContact CG2-CB 4.13Å; I4-M36 HydrophobicContact CG2-CB 4.43Å; I4-M36 HydrophobicContact CG2-CE 3.67Å; I4-M36 WeakPolarHBondContact O-CE 3.12Å; I4-A40 HydrophobicContact CD1-CB 3.87Å; I4-A40 HydrophobicContact CG1-CB 3.89Å
5V58.3Low57.1Low24 Ų2486.8 Ų86.815%0.14546%0.463CS..Hα-helixtrans-68.2-39-178.1179.90000111.5E2 L11 F19 V27E2-V5 PolarHBondContact O-N 2.67Å; V5-L11 HydrophobicContact CG1-CD1 4.35Å; V5-F19 HydrophobicContact CG1-CD1 4.21Å; V5-F19 HydrophobicContact CG1-CE1 3.31Å; V5-F19 HydrophobicContact CG1-CZ 3.92Å; V5-V27 HydrophobicContact CG2-CG2 4.12Å
6R56Low57.3Low187 Ų18791.1 Ų91.171%0.70648%0.479SS*.Hα-helixtrans-77-14.4177.3-68.1-173.5-176.5168.17.3114.6E2E2-R6 PolarHBondContact O-N 3.31Å; E2-R6 IonicContact OE2-NH2 3.38Å
7R58.1Low57.8Low88 Ų8889.6 Ų89.633%0.33248%0.484SS..THydrogen-bonded Turntrans-86.7-9.1176.5-82.4-177.8172.1-171.9-3.5114.1V3 I4 P9 L39 K42 M44V3-R7 HydrophobicContact CG1-CG 4.45Å; V3-R7 WeakPolarHBondContact O-CB 3.42Å; V3-R7 VanDerWaalsContact O-CG 3.32Å; V3-R7 WeakPolarHBondContact O-CG 3.33Å; V3-R7 PolarHBondContact O-N 3.4Å; V3-R7 VanDerWaalsContact O-N 3.14Å; I4-R7 PolarHBondContact O-N 3.37Å; R7-P9 WeakPolarHBondContact O-CD 3.16Å; R7-L39 PolarHBondContact NH1-O 3.11Å; R7-K42 PolarHBondContact NH1-O 3.27Å; R7-M44 VanDerWaalsContact NH2-CG 3.3Å
8C60.7Low58.1Low20 Ų2091.2 Ų91.214%0.13549%0.486CS..  trans-85.3119.6177.3-172.40000110.9F10 L11 A12 M36C8-F10 VanDerWaalsContact C-N 3.27Å; C8-F10 PolarHBondContact O-N 2.78Å; C8-L11 HydrophobicContact CB-CB 3.97Å; C8-L11 HydrophobicContact CB-CD1 3.84Å; C8-L11 HydrophobicContact CB-CG 3.78Å; C8-L11 PolarHBondContact O-N 2.91Å; C8-A12 PolarHBondContact O-N 3.1Å; C8-A12 VanDerWaalsContact O-N 3.1Å; C8-M36 HydrophobicContact CB-CE 3.78Å; C8-M36 HydrophobicContact CB-SD 4.01Å
9P54.8Low58.4Low100 Ų10088.8 Ų88.865%0.64947%0.471SS*.Hα-helixtrans-58.6-37.1-178.4-24.734.2000113.3R7 L11R7-P9 WeakPolarHBondContact O-CD 3.16Å; P9-L11 VanDerWaalsContact C-N 3.34Å; P9-L11 PolarHBondContact O-N 3.33Å
10F53.9Low58.5Low177 Ų17791.6 Ų91.678%0.77648%0.48SS*.Hα-helixtrans-67.6-32.6177.5-77.7-85.5000113.3C8C8-F10 VanDerWaalsContact C-N 3.27Å; C8-F10 PolarHBondContact O-N 2.78Å
11L57.9Low58.8Low40 Ų4095.7 Ų95.721%0.20950%0.497CS..Hα-helixtrans-85.4-25.9-177.3-56.6-176.6000111.9V5 C8 P9 C13 V14 F19 M26V5-L11 HydrophobicContact CG1-CD1 4.35Å; C8-L11 HydrophobicContact CB-CB 3.97Å; C8-L11 HydrophobicContact CB-CD1 3.84Å; C8-L11 HydrophobicContact CB-CG 3.78Å; C8-L11 PolarHBondContact O-N 2.91Å; P9-L11 VanDerWaalsContact C-N 3.34Å; P9-L11 PolarHBondContact O-N 3.33Å; L11-C13 PolarHBondContact O-N 3Å; L11-V14 HydrophobicContact CD2-CG2 4.35Å; L11-V14 WeakPolarHBondContact O-CB 3.31Å; L11-V14 PolarHBondContact O-N 3.38Å; L11-V14 VanDerWaalsContact O-N 3.1Å; L11-F19 HydrophobicContact CB-CE1 4.37Å; L11-F19 HydrophobicContact CB-CZ 3.86Å; L11-F19 WeakPolarHBondContact O-CE2 3.35Å; L11-F19 WeakPolarHBondContact O-CZ 3.38Å; L11-M26 HydrophobicContact CB-CE 4.46Å; L11-M26 HydrophobicContact CD1-CE 3.56Å; L11-M26 HydrophobicContact CD2-CE 3.45Å; L11-M26 VanDerWaalsContact CD2-CE 3.45Å; L11-M26 HydrophobicContact CG-CE 3.99Å
12A58.1Low59.2Low75 Ų7590 Ų9062%0.6247%0.471SS*.Hα-helixtrans-59.5-25.9174.300000113.4C8C8-A12 PolarHBondContact O-N 3.1Å; C8-A12 VanDerWaalsContact O-N 3.1Å
13C54.7Low59.6Low114 Ų11492.1 Ų92.177%0.7748%0.475SS*.THydrogen-bonded Turntrans-900.6178.5-59.40000114.3L11L11-C13 PolarHBondContact O-N 3Å
14V60Low60Low37 Ų3797.7 Ų97.722%0.22449%0.494CS..SBendtrans-86.2130.4-174.4174.20000111L11 Q16 F18 F19L11-V14 HydrophobicContact CD2-CG2 4.35Å; L11-V14 WeakPolarHBondContact O-CB 3.31Å; L11-V14 PolarHBondContact O-N 3.38Å; L11-V14 VanDerWaalsContact O-N 3.1Å; V14-Q16 PolarHBondContact O-N 3.35Å; V14-F18 HydrophobicContact CG1-CB 3.94Å; V14-F18 HydrophobicContact CG1-CD1 3.53Å; V14-F18 HydrophobicContact CG1-CE1 4.41Å; V14-F18 HydrophobicContact CG1-CG 4.05Å; V14-F19 HydrophobicContact CB-CD2 4.14Å; V14-F19 HydrophobicContact CB-CE2 3.78Å; V14-F19 HydrophobicContact CB-CZ 4.3Å; V14-F19 HydrophobicContact CG1-CD2 4.07Å; V14-F19 HydrophobicContact CG1-CE2 4.19Å; V14-F19 WeakPolarHBondContact O-CD2 3.44Å; V14-F19 WeakPolarHBondContact O-CE2 3.19Å
15P68.2Low60.4Low94 Ų9499.5 Ų99.561%0.6151%0.51SS*.  trans-55.7138.2178.9-2835.5000113.6A17 F18 F19P15-A17 PolarHBondContact O-N 2.9Å; P15-A17 VanDerWaalsContact O-N 3.1Å; P15-F18 WeakPolarHBondContact O-CB 3.47Å; P15-F18 PolarHBondContact O-N 3.46Å; P15-F19 PolarHBondContact O-N 3.22Å
16Q61.3Low60.6Low155 Ų155100 Ų10072%0.72451%0.511SS*.Hα-helixtrans-60.6-26.8-172.3-166.8165.3-9.400113.9V14 F19 Q20V14-Q16 PolarHBondContact O-N 3.35Å; Q16-F19 WeakPolarHBondContact O-CB 3.43Å; Q16-Q20 WeakPolarHBondContact O-CG 3.44Å; Q16-Q20 PolarHBondContact O-N 3.05Å
17A65.1Low61Low67 Ų6792.5 Ų92.555%0.55449%0.486SS*.Hα-helixtrans-66.1-42.8172.900000112.8P15 F19 Q20 Q21P15-A17 PolarHBondContact O-N 2.9Å; P15-A17 VanDerWaalsContact O-N 3.1Å; A17-F19 VanDerWaalsContact C-N 3.32Å; A17-F19 PolarHBondContact O-N 3.45Å; A17-Q20 PolarHBondContact O-N 2.93Å; A17-Q21 PolarHBondContact O-N 2.98Å
18F63.4Low61.4Low118 Ų11891.4 Ų91.452%0.51849%0.489SS..Hα-helixtrans-64.7-39.8177.4-173.8-87.1000111V14 P15 Q20 Q21 S22 M26V14-F18 HydrophobicContact CG1-CB 3.94Å; V14-F18 HydrophobicContact CG1-CD1 3.53Å; V14-F18 HydrophobicContact CG1-CE1 4.41Å; V14-F18 HydrophobicContact CG1-CG 4.05Å; P15-F18 WeakPolarHBondContact O-CB 3.47Å; P15-F18 PolarHBondContact O-N 3.46Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 3.36Å; F18-Q21 PolarHBondContact O-N 2.73Å; F18-S22 WeakPolarHBondContact O-CB 3.26Å; F18-S22 PolarHBondContact O-N 3.33Å; F18-S22 PolarHBondContact O-OG 2.67Å; F18-M26 HydrophobicContact CE1-SD 4.31Å
19F63.1Low61.5Low46 Ų4699 Ų9920%0.20252%0.516CS..Hα-helixtrans-57.6-39.5173.4-95.7-61.3000114.1V5 L11 V14 P15 Q16 A17 R23 M26V5-F19 HydrophobicContact CG1-CD1 4.21Å; V5-F19 HydrophobicContact CG1-CE1 3.31Å; V5-F19 HydrophobicContact CG1-CZ 3.92Å; L11-F19 HydrophobicContact CB-CE1 4.37Å; L11-F19 HydrophobicContact CB-CZ 3.86Å; L11-F19 WeakPolarHBondContact O-CE2 3.35Å; L11-F19 WeakPolarHBondContact O-CZ 3.38Å; V14-F19 HydrophobicContact CB-CD2 4.14Å; V14-F19 HydrophobicContact CB-CE2 3.78Å; V14-F19 HydrophobicContact CB-CZ 4.3Å; V14-F19 HydrophobicContact CG1-CD2 4.07Å; V14-F19 HydrophobicContact CG1-CE2 4.19Å; V14-F19 WeakPolarHBondContact O-CD2 3.44Å; V14-F19 WeakPolarHBondContact O-CE2 3.19Å; P15-F19 PolarHBondContact O-N 3.22Å; Q16-F19 WeakPolarHBondContact O-CB 3.43Å; A17-F19 VanDerWaalsContact C-N 3.32Å; A17-F19 PolarHBondContact O-N 3.45Å; F19-R23 WeakPolarHBondContact O-CA 2.97Å; F19-R23 VanDerWaalsContact O-CB 3.24Å; F19-R23 WeakPolarHBondContact O-CB 3.35Å; F19-R23 PolarHBondContact O-N 3.46Å; F19-R23 VanDerWaalsContact O-N 3.11Å; F19-M26 HydrophobicContact CD1-CE 3.94Å; F19-M26 HydrophobicContact CD1-SD 4.39Å; F19-M26 HydrophobicContact CE1-CE 3.48Å; F19-M26 VanDerWaalsContact CE1-CE 3.48Å; F19-M26 HydrophobicContact CE1-SD 4.48Å; F19-M26 HydrophobicContact CZ-CE 4.36Å
20Q60.3Low62Low143 Ų14394.7 Ų94.767%0.66849%0.49SS*.Hα-helixtrans-67.9-39.6-179-74.6177.9-10.400111.8Q16 A17 F18Q16-Q20 WeakPolarHBondContact O-CG 3.44Å; Q16-Q20 PolarHBondContact O-N 3.05Å; A17-Q20 PolarHBondContact O-N 2.93Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 3.36Å
21Q66Low62.3Low178 Ų17891.1 Ų91.183%0.83248%0.475SS*.Hα-helixtrans-74.8-40.1179.5-68.8179.4-1600113A17 F18A17-Q21 PolarHBondContact O-N 2.98Å; F18-Q21 PolarHBondContact O-N 2.73Å
22S58.5Low62.6Low22 Ų2298.9 Ų98.915%0.15450%0.502CS..Hα-helixtrans-93.5-1.7-173.561.60000114.9F18 K24 S25 M26F18-S22 WeakPolarHBondContact O-CB 3.26Å; F18-S22 PolarHBondContact O-N 3.33Å; F18-S22 PolarHBondContact O-OG 2.67Å; S22-K24 VanDerWaalsContact C-N 3.32Å; S22-K24 PolarHBondContact O-N 2.87Å; S22-K24 VanDerWaalsContact O-N 3.08Å; S22-S25 PolarHBondContact O-N 3.35Å; S22-S25 VanDerWaalsContact O-N 3.14Å; S22-M26 PolarHBondContact O-N 2.66Å; S22-M26 VanDerWaalsContact O-N 3.13Å; S22-M26 PolarHBondContact OG-SD 2.93Å
23R61.7Low62.9Low142 Ų14297.5 Ų97.554%0.53649%0.487SS..Hα-helixtrans-46.4-46-167.7-156.6177.6-174.6177.34.8114.8E2 F19 V27E2-R23 IonicContact OE1-CZ 2.7Å; E2-R23 IonicContact OE1-NH2 3.23Å; E2-R23 PolarHBondContact OE1-NH2 2.99Å; F19-R23 WeakPolarHBondContact O-CA 2.97Å; F19-R23 VanDerWaalsContact O-CB 3.24Å; F19-R23 WeakPolarHBondContact O-CB 3.35Å; F19-R23 PolarHBondContact O-N 3.46Å; F19-R23 VanDerWaalsContact O-N 3.11Å; R23-V27 VanDerWaalsContact O-CG2 3.31Å; R23-V27 WeakPolarHBondContact O-CG2 3.23Å; R23-V27 PolarHBondContact O-N 3.02Å
24K63Low63.2Low186 Ų18697 Ų9781%0.80948%0.483SS*.Hα-helixtrans-67.7-51.2-176.2-68.4-175.9179179.80111.2S22 M26 V27 T28S22-K24 VanDerWaalsContact C-N 3.32Å; S22-K24 PolarHBondContact O-N 2.87Å; S22-K24 VanDerWaalsContact O-N 3.08Å; K24-M26 PolarHBondContact O-N 2.65Å; K24-V27 PolarHBondContact O-N 3.18Å; K24-T28 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-OG1 2.8Å
25S65.5Low63.5Low77 Ų77100.8 Ų100.854%0.53850%0.5SS..Hα-helixtrans-62.6-43.1-178.1-48.80000112.3S22 V27 T28 Y29S22-S25 PolarHBondContact O-N 3.35Å; S22-S25 VanDerWaalsContact O-N 3.14Å; S25-V27 VanDerWaalsContact C-N 3.35Å; S25-V27 PolarHBondContact O-N 2.77Å; S25-T28 PolarHBondContact O-N 2.92Å; S25-Y29 WeakPolarHBondContact O-CD2 3.09Å; S25-Y29 PolarHBondContact O-N 3.38Å
26M63.2Low63.4Low33 Ų3397.1 Ų97.116%0.16348%0.475CS..Hα-helixtrans-63.9-36.9179.3-75.5178.852.900113.2L11 F18 F19 S22 K24 Y29 A30L11-M26 HydrophobicContact CB-CE 4.46Å; L11-M26 HydrophobicContact CD1-CE 3.56Å; L11-M26 HydrophobicContact CD2-CE 3.45Å; L11-M26 VanDerWaalsContact CD2-CE 3.45Å; L11-M26 HydrophobicContact CG-CE 3.99Å; F18-M26 HydrophobicContact CE1-SD 4.31Å; F19-M26 HydrophobicContact CD1-CE 3.94Å; F19-M26 HydrophobicContact CD1-SD 4.39Å; F19-M26 HydrophobicContact CE1-CE 3.48Å; F19-M26 VanDerWaalsContact CE1-CE 3.48Å; F19-M26 HydrophobicContact CE1-SD 4.48Å; F19-M26 HydrophobicContact CZ-CE 4.36Å; S22-M26 PolarHBondContact O-N 2.66Å; S22-M26 VanDerWaalsContact O-N 3.13Å; S22-M26 PolarHBondContact OG-SD 2.93Å; K24-M26 PolarHBondContact O-N 2.65Å; M26-Y29 PolarHBondContact O-N 3.16Å; M26-A30 WeakPolarHBondContact O-CB 3.41Å; M26-A30 PolarHBondContact O-N 3.12Å
27V64.4Low63.7Low31 Ų3194.3 Ų94.319%0.18846%0.463CS..Hα-helixtrans-64.5-41.6175.3168.10000111M1 V5 R23 K24 S25 Y29 A30 Q31M1-V27 HydrophobicContact SD-CG1 3.69Å; V5-V27 HydrophobicContact CG2-CG2 4.12Å; R23-V27 VanDerWaalsContact O-CG2 3.31Å; R23-V27 WeakPolarHBondContact O-CG2 3.23Å; R23-V27 PolarHBondContact O-N 3.02Å; K24-V27 PolarHBondContact O-N 3.18Å; S25-V27 VanDerWaalsContact C-N 3.35Å; S25-V27 PolarHBondContact O-N 2.77Å; V27-Y29 PolarHBondContact O-N 2.86Å; V27-A30 PolarHBondContact O-N 3.23Å; V27-Q31 WeakPolarHBondContact O-CG 3.43Å; V27-Q31 PolarHBondContact O-N 2.72Å; V27-Q31 VanDerWaalsContact O-N 3.08Å
28T65.5Low63.8Low65 Ų6596.5 Ų96.540%0.39946%0.462SS..Hα-helixtrans-63.9-38.3176.3-51.40000112.5K24 S25K24-T28 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-OG1 2.8Å; S25-T28 PolarHBondContact O-N 2.92Å
29Y63.5Low63.8Low178 Ų17894 Ų9470%0.69845%0.454SS*.Hα-helixtrans-68.5-43173.9-86.8-74.3000112.5S25 M26 V27 Q31 R32 C33S25-Y29 WeakPolarHBondContact O-CD2 3.09Å; S25-Y29 PolarHBondContact O-N 3.38Å; M26-Y29 PolarHBondContact O-N 3.16Å; V27-Y29 PolarHBondContact O-N 2.86Å; Y29-Q31 VanDerWaalsContact C-N 3.28Å; Y29-Q31 PolarHBondContact O-N 3.36Å; Y29-R32 PolarHBondContact O-N 3.29Å; Y29-C33 PolarHBondContact O-N 2.94Å
30A64.1Low63.7Low11 Ų1194 Ų949%0.09146%0.462CS..Hα-helixtrans-60.4-36.917800000112.5I4 M26 V27 R32 C33 M36I4-A30 HydrophobicContact CG2-CB 4.13Å; M26-A30 WeakPolarHBondContact O-CB 3.41Å; M26-A30 PolarHBondContact O-N 3.12Å; V27-A30 PolarHBondContact O-N 3.23Å; A30-R32 PolarHBondContact O-N 3.04Å; A30-C33 PolarHBondContact O-N 3.05Å; A30-M36 WeakPolarHBondContact O-CB 3.45Å
31Q60.4Low63.5Low101 Ų10191.5 Ų91.547%0.47246%0.461SS..Hα-helixtrans-67.2-20.6175.2-73.7171.6-24.600114.2V27 Y29V27-Q31 WeakPolarHBondContact O-CG 3.43Å; V27-Q31 PolarHBondContact O-N 2.72Å; V27-Q31 VanDerWaalsContact O-N 3.08Å; Y29-Q31 VanDerWaalsContact C-N 3.28Å; Y29-Q31 PolarHBondContact O-N 3.36Å
32R65.4Low63.2Low203 Ų20388.5 Ų88.577%0.76645%0.445SS*.Hα-helixtrans-96.8-4.2178.5-67.3178.9179.4-171.6-0.4113.2Y29 A30Y29-R32 PolarHBondContact O-N 3.29Å; A30-R32 PolarHBondContact O-N 3.04Å
33C63.3Low62.6Low46 Ų4693.3 Ų93.331%0.31148%0.476SS..  trans-93.2117.2179.7-179.40000110.5Y29 A30 I35 M36 M37Y29-C33 PolarHBondContact O-N 2.94Å; A30-C33 PolarHBondContact O-N 3.05Å; C33-I35 VanDerWaalsContact C-N 3.32Å; C33-I35 PolarHBondContact O-N 2.67Å; C33-M36 HydrophobicContact CB-CB 3.97Å; C33-M36 HydrophobicContact CB-CG 3.86Å; C33-M36 PolarHBondContact O-N 3.23Å; C33-M36 VanDerWaalsContact O-N 3.16Å; C33-M37 PolarHBondContact O-N 2.91Å; C33-M37 VanDerWaalsContact O-N 3.14Å
34P61Low61.7Low105 Ų10591.2 Ų91.268%0.68247%0.473SS*.Hα-helixtrans-57.2-42.8-177.6-2635000113.2M36 M37 E38P34-M36 VanDerWaalsContact C-N 3.33Å; P34-M36 PolarHBondContact O-N 2.88Å; P34-M37 PolarHBondContact O-N 3Å; P34-E38 PolarHBondContact O-N 2.89Å
35I65.6Low60.9Low115 Ų11586.1 Ų86.159%0.5947%0.465SS*.Hα-helixtrans-62.4-39.8180-58.4172.1000111.2C33 M37 E38 L39C33-I35 VanDerWaalsContact C-N 3.32Å; C33-I35 PolarHBondContact O-N 2.67Å; I35-M37 VanDerWaalsContact C-N 3.35Å; I35-E38 PolarHBondContact O-N 2.68Å; I35-L39 HydrophobicContact CG2-CD1 4.21Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 3.23Å
36M66.8Low59.4Low18 Ų1889 Ų899%0.08948%0.483CS..Hα-helixtrans-71.3-31.2178.4-67.6-57.4-55.200112.5I4 C8 A30 C33 P34 L39 A40I4-M36 HydrophobicContact CG2-CB 4.43Å; I4-M36 HydrophobicContact CG2-CE 3.67Å; I4-M36 WeakPolarHBondContact O-CE 3.12Å; C8-M36 HydrophobicContact CB-CE 3.78Å; C8-M36 HydrophobicContact CB-SD 4.01Å; A30-M36 WeakPolarHBondContact O-CB 3.45Å; C33-M36 HydrophobicContact CB-CB 3.97Å; C33-M36 HydrophobicContact CB-CG 3.86Å; C33-M36 PolarHBondContact O-N 3.23Å; C33-M36 VanDerWaalsContact O-N 3.16Å; P34-M36 VanDerWaalsContact C-N 3.33Å; P34-M36 PolarHBondContact O-N 2.88Å; M36-L39 HydrophobicContact SD-CD1 4.28Å; M36-A40 WeakPolarHBondContact O-CB 3.37Å; M36-A40 PolarHBondContact O-N 2.92Å
37M68Low58.2Low96 Ų9691.5 Ų91.547%0.47350%0.503SS..Hα-helixtrans-72.1-36.6174.1-67.7-63-67.700111.7C33 P34 I35 A40 S41C33-M37 PolarHBondContact O-N 2.91Å; C33-M37 VanDerWaalsContact O-N 3.14Å; P34-M37 PolarHBondContact O-N 3Å; I35-M37 VanDerWaalsContact C-N 3.35Å; M37-A40 WeakPolarHBondContact O-CB 3.45Å; M37-A40 PolarHBondContact O-N 3.06Å; M37-S41 PolarHBondContact O-N 3.24Å
38E66.9Low56.8Low113 Ų11398.2 Ų98.253%0.52854%0.535SS..Hα-helixtrans-68.6-36.8172.9-162.3-161.814100112.6P34 I35 A40 S41 K42P34-E38 PolarHBondContact O-N 2.89Å; I35-E38 PolarHBondContact O-N 2.68Å; E38-A40 PolarHBondContact O-N 3.3Å; E38-S41 PolarHBondContact O-N 3.08Å; E38-S41 PolarHBondContact O-OG 3.41Å; E38-K42 IonicContact OE1-NZ 3.66Å
39L63Low55Low65 Ų6599.8 Ų99.834%0.3455%0.554SS.*Hα-helixtrans-69.4-17.7171.7-74.1169000113.2R7 I35 M36R7-L39 PolarHBondContact NH1-O 3.11Å; I35-L39 HydrophobicContact CG2-CD1 4.21Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 3.23Å; M36-L39 HydrophobicContact SD-CD1 4.28Å
40A61.6Low53.4Low45 Ų45103.4 Ų103.437%0.37257%0.566SS.*Hα-helixtrans-87-23.9175.800000113.3I4 M36 M37 E38I4-A40 HydrophobicContact CD1-CB 3.87Å; I4-A40 HydrophobicContact CG1-CB 3.89Å; M36-A40 WeakPolarHBondContact O-CB 3.37Å; M36-A40 PolarHBondContact O-N 2.92Å; M37-A40 WeakPolarHBondContact O-CB 3.45Å; M37-A40 PolarHBondContact O-N 3.06Å; E38-A40 PolarHBondContact O-N 3.3Å
41S55.8Low51.6Low92 Ų92107.4 Ų107.464%0.64360%0.6SS**Hα-helixtrans-85.1-10.8-178.560.80000114.5M37 E38M37-S41 PolarHBondContact O-N 3.24Å; E38-S41 PolarHBondContact O-N 3.08Å; E38-S41 PolarHBondContact O-OG 3.41Å
42K60.8Low49.9Very low114 Ų114110 Ų11050%0.49662%0.616SS.*SBendtrans-80126.6175.2-66.3-179.8-174.5174.50111.5R7 E38R7-K42 PolarHBondContact NH1-O 3.27Å; E38-K42 IonicContact OE1-NZ 3.66Å
43P45.3Very low47.9Very low124 Ų124106.3 Ų106.381%0.80562%0.62SS**PPolyproline II helixtrans-60.7151.1-176.824.7-33.7000112.4
44M43.6Very low46.2Very low97 Ų97109.2 Ų109.248%0.47864%0.641SS.*PPolyproline II helixtrans-80.7137.3176.8-82178.46300111.3V3 R7 S47 M48V3-M44 HydrophobicContact CG1-SD 4.16Å; V3-M44 HydrophobicContact CG2-SD 4.42Å; R7-M44 VanDerWaalsContact NH2-CG 3.3Å; M44-S47 WeakPolarHBondContact CE-O 3.4Å; M44-M48 HydrophobicContact CE-CB 4.5Å
45A44.8Very low44.6Very low79 Ų79109.2 Ų109.265%0.65364%0.643SS**PPolyproline II helixtrans-62.2151.5157.400000109.9S47A45-S47 VanDerWaalsContact C-N 3.34Å; A45-S47 PolarHBondContact O-N 2.88Å
46P35Very low42.7Very low139 Ų139109.6 Ų109.690%0.90365%0.651SS**SBendtrans-76.877.5-16731.4-36.9000113.3
47S36.8Very low40.7Very low85 Ų85113.8 Ų113.859%0.59468%0.682SS**SBendtrans-146.914715466.10000110.2M44 A45M44-S47 WeakPolarHBondContact CE-O 3.4Å; A45-S47 VanDerWaalsContact C-N 3.34Å; A45-S47 PolarHBondContact O-N 2.88Å
48M36.3Very low38.6Very low172 Ų172115.4 Ų115.485%0.84769%0.693SS**  trans7072.9178.7-53.6-66.5164.700116.5M44M44-M48 HydrophobicContact CE-CB 4.5Å
49A28.1Very low36.6Very low97 Ų97118.4 Ų118.480%0.80271%0.707SS**  trans-123.8107.716200000111.6
50R28.8Very low34.7Very low254 Ų254124.9 Ų124.996%0.95873%0.732SS**  trans-165.7151.6150.4-120.6172.9-180164.90.9113.8
51A26.4Very low32.8Very low96 Ų96130 Ų13079%0.79376%0.759SS**  trans71.987.616600000119.3
52L25Very low31.3Very low155 Ų155134.3 Ų134.381%0.81277%0.769SS**  trans-148.1123.5151.1-92.1174.7000109.6
53C24.2Very low29.6Very low125 Ų125137.3 Ų137.385%0.84579%0.788SS**  trans-144.7148167.4-77.90000111.1
54S26.3Very low28.6Very low108 Ų108141 Ų14176%0.75579%0.792SS**  trans53.3119.1172.746.30000119.1
55S27.4Very low27.6Very low104 Ų104143.6 Ų143.673%0.72781%0.813SS**  cis84.7142.440.5840000113.2
56T26Very low26.6Very low124 Ų124143.4 Ų143.476%0.76182%0.819SS**  cis-170.6170.20.16.60000113.6
57S25.4Very low26.1Very low105 Ų105144.7 Ų144.773%0.73482%0.818SS**  trans86.3159.3150.390.10000118.3
58N23.9Very low25.4Very low131 Ų131149.5 Ų149.570%0.70183%0.831SS**  cis-157.6169.2-6.8-138.9-14.6000115.7
59Q24.3Very low24.8Very low176 Ų176145.7 Ų145.782%0.82283%0.827SS**  trans65.4157.7147.9-80.8172.9-3.100124.6
60K22.6Very low24.9Very low200 Ų200147 Ų14787%0.8783%0.828SS**  trans-135.6158-177.5-82.7-177.7171-176.10109.7
61T22.4Very low24.6Very low152 Ų152141.6 Ų141.693%0.93382%0.822SS**  trans-154.2166.1154-2.40000113
62E24.8Very low24.6Very low183 Ų183143.7 Ų143.786%0.85583%0.825SS**  trans-102.6168-166.8-49.8167.7134.200114.2
63I24.4Very low24.5Very low177 Ų177139.4 Ų139.491%0.90882%0.818SS**  trans-140.3152.7164.7-64.7-172.2000112
64K23.6Very low24.5Very low203 Ų203140.5 Ų140.588%0.88382%0.821SS**  trans-97.9178.6-165.9-64.2175.7174.1177.90116.3
65T24.3Very low24.4Very low151 Ų151143.6 Ų143.693%0.92682%0.823SS**  trans-89.9168.4174.645.60000115.2
66G23Very low24.3Very low74 Ų74144.3 Ų144.376%0.76383%0.828SS**  trans-170.4155171.700000113.6
67N23.7Very low24.3Very low167 Ų167147.6 Ų147.689%0.89383%0.832SS**  trans-110.3177.9-162.8-947.8000116.6
68E22.5Very low24.5Very low186 Ų186150.6 Ų150.687%0.86984%0.839SS**  trans-59.8177.9175.4-44.7169.1126.500114.4
69A23.6Very low24.7Very low91 Ų91150.3 Ų150.375%0.75284%0.844SS**  cis-158.7-159.213.300000108.3
70P30.6Very low24.8Very low126 Ų126147.1 Ų147.182%0.81885%0.848SS**  cis-132.3-168-11.242.5-23.9000114.6
71V23.4Very low25.4Very low140 Ų140141 Ų14185%0.84884%0.841SS**  trans-112.4145.7-175.4174.30000112.4
72V26.1Very low25.5Very low139 Ų139142.6 Ų142.684%0.84284%0.838SS**  trans-130.5138.1168.8179.70000109.7
73G22.8Very low25.7Very low66 Ų66139.6 Ų139.668%0.6884%0.835SS**  trans-96.4160.8-178.400000114.5
74V24.2Very low26.1Very low148 Ų148137.4 Ų137.490%0.89783%0.829SS**  trans-141.2139.5172.2-179.10000109.8
75E22.7Very low26.3Very low172 Ų172133.5 Ų133.580%0.80482%0.824SS**  trans-74.5150.6-176.6-55.1169.9129.300113.3
76S25.5Very low26.4Very low120 Ų120133 Ų13384%0.83982%0.821SS**  trans-97.6110173.658.30000112.2
77K27.2Very low26.6Very low193 Ų193136.3 Ų136.384%0.83983%0.827SS**PPolyproline II helixtrans-89134.6167.7-70.9-179.1178.4175.40110.9
78L30Very low26.7Very low167 Ų167131.7 Ų131.787%0.87482%0.819SS**PPolyproline II helixtrans-89.4143.1172.5-73.7165.7000111.1
79P27.8Very low26.9Very low125 Ų125132.7 Ų132.781%0.81282%0.824SS**PPolyproline II helixtrans-73147.1170.1-14.630.3000112.3
80A25.3Very low27.2Very low109 Ų109132.9 Ų132.990%0.90183%0.825SS**PPolyproline II helixtrans-85.7146.5175.200000111.8
81G35.7Very low27Very low71 Ų71134 Ų13473%0.73283%0.829SS**  trans154.6-0.5168.300000120
82H25.4Very low27.1Very low186 Ų186131.4 Ų131.486%0.86182%0.823SS**  trans-119133.9-179-80.1-72.6000113.7
83P28.1Very low27.5Very low121 Ų121130 Ų13079%0.78682%0.819SS**PPolyproline II helixtrans-80.3145.7-179.932.4-34.6000112.8
84V31.9Very low28Very low130 Ų130136.7 Ų136.779%0.78883%0.829SS**PPolyproline II helixtrans-95130.8176.6179.90000109.8
85P28.1Very low28.3Very low121 Ų121133.2 Ų133.279%0.78681%0.811SS**PPolyproline II helixtrans-74.7135.2172.3-14.329.8000112.1
86T27Very low28.8Very low141 Ų141131 Ų13187%0.86581%0.811SS**PPolyproline II helixtrans-82.9160.7177.239.70000113.2G88T86-G88 PolarHBondContact O-N 3.01Å
87T26.8Very low29.2Very low143 Ų143132.6 Ų132.688%0.87780%0.803SS**PPolyproline II helixtrans-77.4116.8-176.746.70000113.8
88G27Very low29.5Very low71 Ų71129.1 Ų129.173%0.73279%0.793SS**  trans47.1125.514100000122.2T86T86-G88 PolarHBondContact O-N 3.01Å
89Q25.8Very low29.8Very low207 Ų207125.3 Ų125.397%0.96779%0.786SS**  -166.9167.8119.5-108.2179.75.400112
90A29.7Very low30.2Very low95 Ų95123.1 Ų123.179%0.78578%0.778SS**  trans-91.8147.4-167.300000114.1
91V26.6Very low30.7Very low148 Ų148124.7 Ų124.790%0.89777%0.767SS**  trans-132.8113.1155.2-179.40000108.4
92A26Very low30.7Very low86 Ų86129.5 Ų129.571%0.71177%0.772SS**  trans-96.2159.6172.300000111.1
93S34.7Very low31.3Very low109 Ų109130 Ų13076%0.76277%0.772SS**  trans74.6116.4170.779.10000118.2
94K33Very low31.7Very low208 Ų208133.1 Ų133.190%0.90478%0.776SS**  -177.292.7116.6-97.1169.3-176179.30110.5
95C30Very low31.9Very low75 Ų75136.2 Ų136.251%0.50778%0.779SS.*  trans-143.9120.8160.6-176.50000108.6F97 L98C95-F97 PolarHBondContact O-N 3.38Å; C95-F97 VanDerWaalsContact O-N 3.16Å; C95-L98 HydrophobicContact CB-CD1 4.49Å; C95-L98 PolarHBondContact O-N 3.04Å
96P34.3Very low32.5Very low124 Ų124138.2 Ų138.281%0.80578%0.783SS**G310 helixtrans-65.4-15.7-177.1-20.332.1000114.6
97F32.1Very low33.2Very low154 Ų154135 Ų13568%0.67577%0.767SS**G310 helixtrans-70-34.3-179-164.6-103.1000112.9C95 A99C95-F97 PolarHBondContact O-N 3.38Å; C95-F97 VanDerWaalsContact O-N 3.16Å; F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 3.26Å
98L35.3Very low33.6Very low121 Ų121131 Ų13163%0.63475%0.753SS**G310 helixtrans-79.5-5.5-173.9-76.2165.3000114.8C95C95-L98 HydrophobicContact CB-CD1 4.49Å; C95-L98 PolarHBondContact O-N 3.04Å
99A36.3Very low34.1Very low87 Ų87132.3 Ų132.372%0.71975%0.747SS**G310 helixtrans-84.2-18.2177.200000113.4F97F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 3.26Å
100A34.6Very low34.5Very low78 Ų78126.9 Ų126.965%0.64573%0.728SS**THydrogen-bonded Turntrans-85.2-34.5-17600000113.4M102A100-M102 PolarHBondContact O-N 3.1Å
101E35.3Very low34.9Very low142 Ų142132.2 Ų132.266%0.66473%0.728SS**G310 helixtrans-82.7-8.1-173.4-69.2-162.3131.100115.2K103E101-K103 PolarHBondContact O-N 3.5Å; E101-K103 VanDerWaalsContact O-N 3.13Å
102M35.8Very low35.5Very low173 Ų173131.6 Ų131.685%0.85272%0.715SS**G310 helixtrans-74.64.7175.8-80.5-161.1161.200114.8A100A100-M102 PolarHBondContact O-N 3.1Å
103K38.1Very low36Very low197 Ų197131 Ų13186%0.85770%0.702SS**G310 helixtrans-106.8-1.6-178.6-102.4-176.4176.5-178.90116.7E101E101-K103 PolarHBondContact O-N 3.5Å; E101-K103 VanDerWaalsContact O-N 3.13Å
104Q37.4Very low36Very low185 Ų185129.5 Ų129.586%0.86469%0.689SS**  trans-125.587.3174.2-72.8-169.4-10.900112.3N106Q104-N106 PolarHBondContact O-N 2.94Å
105K36.7Very low36.2Very low195 Ų195125 Ų12585%0.84867%0.672SS**  trans-82.196.3166.7-72.6-177177.3179.40110
106N40.4Very low36.8Very low164 Ų164126.7 Ų126.788%0.87767%0.672SS**  trans163.494.7138.2-85.2-12.8000111.7Q104Q104-N106 PolarHBondContact O-N 2.94Å
107S40.4Very low36.9Very low74 Ų74126 Ų12652%0.51766%0.657SS.*  trans-136.5135150.478.80000109.1V109S107-V109 PolarHBondContact O-N 3.08Å
108G35.8Very low37.2Very low58 Ų58124.6 Ų124.660%0.59865%0.653SS**Hα-helixtrans-65.4-29.4-17900000112.8V110 R111 Q112G108-V110 PolarHBondContact O-N 2.98Å; G108-R111 WeakPolarHBondContact O-CB 3.32Å; G108-R111 PolarHBondContact O-N 3.45Å; G108-R111 VanDerWaalsContact O-N 3.13Å; G108-Q112 PolarHBondContact O-N 3.5Å
109V36.8Very low37.6Very low99 Ų99122.2 Ų122.260%0.664%0.638SS**Hα-helixtrans-58.3-46.2-176.2-176.30000112.1S107 R111 Q112 V113S107-V109 PolarHBondContact O-N 3.08Å; V109-R111 PolarHBondContact O-N 3.07Å; V109-Q112 PolarHBondContact O-N 2.89Å; V109-Q112 VanDerWaalsContact O-N 3.17Å; V109-V113 HydrophobicContact CG1-CG2 4.42Å; V109-V113 WeakPolarHBondContact O-CG2 3.47Å; V109-V113 PolarHBondContact O-N 3.13Å; V109-V113 VanDerWaalsContact O-N 3.08Å
110V36Very low37.6Very low92 Ų92123 Ų12356%0.55863%0.631SS**Hα-helixtrans-63.6-31.3-179.3177.20000111.6G108 T114G108-V110 PolarHBondContact O-N 2.98Å; V110-T114 WeakPolarHBondContact O-CB 3.35Å; V110-T114 PolarHBondContact O-N 2.98Å; V110-T114 VanDerWaalsContact O-N 3.12Å; V110-T114 PolarHBondContact O-OG1 3.32Å
111R37Very low37.7Very low208 Ų208122.7 Ų122.779%0.78562%0.62SS**Hα-helixtrans-73.4-30.9179.7-152.3175.6-171.6-179.61.1112.3G108 V109 M115G108-R111 WeakPolarHBondContact O-CB 3.32Å; G108-R111 PolarHBondContact O-N 3.45Å; G108-R111 VanDerWaalsContact O-N 3.13Å; V109-R111 PolarHBondContact O-N 3.07Å; R111-M115 WeakPolarHBondContact O-CG 3.44Å
112Q40Very low37.8Very low134 Ų134122 Ų12263%0.62662%0.617SS**Hα-helixtrans-72.5-52.3175.5-132.9159.1-17.900110.6G108 V109 T114 M115 E116G108-Q112 PolarHBondContact O-N 3.5Å; V109-Q112 PolarHBondContact O-N 2.89Å; V109-Q112 VanDerWaalsContact O-N 3.17Å; Q112-T114 PolarHBondContact O-N 3.35Å; Q112-T114 VanDerWaalsContact O-N 3.17Å; Q112-M115 PolarHBondContact O-N 2.87Å; Q112-E116 WeakPolarHBondContact O-CG 3.35Å; Q112-E116 PolarHBondContact O-N 3.43Å
113V35.1Very low38.1Very low74 Ų74118.1 Ų118.145%0.44860%0.597SS.*Hα-helixtrans-61.7-26.2178.9177.30000113.2V109V109-V113 HydrophobicContact CG1-CG2 4.42Å; V109-V113 WeakPolarHBondContact O-CG2 3.47Å; V109-V113 PolarHBondContact O-N 3.13Å; V109-V113 VanDerWaalsContact O-N 3.08Å
114T35.3Very low38Very low78 Ų78113.3 Ų113.348%0.47958%0.584SS.*Hα-helixtrans-76.4-31.7176.1-53.80000112.7V110 Q112V110-T114 WeakPolarHBondContact O-CB 3.35Å; V110-T114 PolarHBondContact O-N 2.98Å; V110-T114 VanDerWaalsContact O-N 3.12Å; V110-T114 PolarHBondContact O-OG1 3.32Å; Q112-T114 PolarHBondContact O-N 3.35Å; Q112-T114 VanDerWaalsContact O-N 3.17Å
115M38.3Very low37.8Very low114 Ų114112.9 Ų112.956%0.56257%0.574SS**Hα-helixtrans-72.4-41.5174.9-59.5-130.9-46.100111.3R111 Q112 F117 Q118 E119R111-M115 WeakPolarHBondContact O-CG 3.44Å; Q112-M115 PolarHBondContact O-N 2.87Å; M115-F117 PolarHBondContact O-N 3.36Å; M115-Q118 PolarHBondContact O-N 2.65Å; M115-E119 PolarHBondContact O-N 3.31Å
116E41.2Very low37.8Very low109 Ų109107.5 Ų107.551%0.50956%0.558SS.*Hα-helixtrans-53.5-22.6176.7-70.2165-169.100113.7Q112Q112-E116 WeakPolarHBondContact O-CG 3.35Å; Q112-E116 PolarHBondContact O-N 3.43Å
117F37.8Very low37.6Very low109 Ų109104.4 Ų104.448%0.47855%0.545SS..Hα-helixtrans-94.9-19.8177.6-175.4-117.2000114.8M115M115-F117 PolarHBondContact O-N 3.36Å
118Q37.2Very low37.4Very low126 Ų126108.6 Ų108.659%0.58956%0.556SS**Hα-helixtrans-81.8-33.6177.9-70.8-173.8-38.200111.7M115 D120 V121 E122M115-Q118 PolarHBondContact O-N 2.65Å; Q118-D120 PolarHBondContact O-N 3.15Å; Q118-V121 PolarHBondContact O-N 2.75Å; Q118-E122 PolarHBondContact O-N 3.43Å
119E44.5Very low37.3Very low70 Ų70114.4 Ų114.433%0.32757%0.565SS.*Hα-helixtrans-61.4-44.2-179.7-66.2177.2-174.100112.4M115 V121 E122 E123 R485M115-E119 PolarHBondContact O-N 3.31Å; E119-V121 VanDerWaalsContact C-N 3.25Å; E119-V121 PolarHBondContact O-N 3.44Å; E119-E122 PolarHBondContact O-N 2.97Å; E119-E123 PolarHBondContact O-N 2.71Å; E119-E123 VanDerWaalsContact O-N 3.17Å; E119-R485 IonicContact OE2-NH2 3.65Å
120D35.5Very low37.4Very low105 Ų105118.3 Ų118.356%0.56158%0.577SS**Hα-helixtrans-61.5-27.9177.6-80-6.6000113.7Q118Q118-D120 PolarHBondContact O-N 3.15Å
121V37.9Very low37.3Very low71 Ų71120 Ų12043%0.4358%0.581SS.*Hα-helixtrans-89.8-23.6-178.9-178.50000111.8Q118 E119Q118-V121 PolarHBondContact O-N 2.75Å; E119-V121 VanDerWaalsContact C-N 3.25Å; E119-V121 PolarHBondContact O-N 3.44Å
122E36.9Very low36.9Very low127 Ų127115.5 Ų115.559%0.59358%0.582SS**Hα-helixtrans-83.2-26.2175.4-69.9-160.5144.200113.7Q118 E119 V124 R125 T126Q118-E122 PolarHBondContact O-N 3.43Å; E119-E122 PolarHBondContact O-N 2.97Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.07Å; E122-R125 PolarHBondContact O-N 3Å; E122-T126 PolarHBondContact O-N 3.16Å; E122-T126 PolarHBondContact O-OG1 3.47Å
123E42.5Very low36.6Very low92 Ų92115 Ų11543%0.4359%0.59SS.*Hα-helixtrans-54.3-45.7174.4-171.9179.4-170.700111.2E119 R125 V127E119-E123 PolarHBondContact O-N 2.71Å; E119-E123 VanDerWaalsContact O-N 3.17Å; E123-R125 PolarHBondContact O-N 2.78Å; E123-V127 WeakPolarHBondContact O-CG2 3.44Å; E123-V127 PolarHBondContact O-N 3.16Å
124V36.2Very low36.3Very low96 Ų96115.8 Ų115.858%0.58260%0.604SS**Hα-helixtrans-64.8-27.1179-177.30000112.6E122E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.07Å
125R32.7Very low36Very low175 Ų175122.1 Ų122.166%0.6663%0.625SS**Hα-helixtrans-99.3-26-172.7-70.8-180169.8-176.4-0.8114.5E122 E123E122-R125 PolarHBondContact O-N 3Å; E123-R125 PolarHBondContact O-N 2.78Å
126T35.3Very low35.4Very low82 Ų82124.8 Ų124.850%0.50364%0.641SS.*Hα-helixtrans-84.7-43.6179.945.20000111.8E122 Q128 K129E122-T126 PolarHBondContact O-N 3.16Å; E122-T126 PolarHBondContact O-OG1 3.47Å; T126-Q128 PolarHBondContact O-N 3.45Å; T126-K129 PolarHBondContact O-N 2.73Å
127V38.1Very low34.8Very low100 Ų100129.2 Ų129.261%0.60666%0.658SS**THydrogen-bonded Turntrans-61.5-28.4178.5178.90000112.3E123E123-V127 WeakPolarHBondContact O-CG2 3.44Å; E123-V127 PolarHBondContact O-N 3.16Å
128Q36.1Very low34.3Very low161 Ų161133.1 Ų133.175%0.75268%0.678SS**THydrogen-bonded Turntrans-79.9-13.4175.1-70.5-172.1-9.400114.8T126T126-Q128 PolarHBondContact O-N 3.45Å
129K33.4Very low33.8Very low181 Ų181132.6 Ų132.679%0.78769%0.686SS**THydrogen-bonded Turntrans-97.3-18.5-170-96.4-175.6174-177.90116T126T126-K129 PolarHBondContact O-N 2.73Å
130E37.7Very low32.9Very low181 Ų181134.9 Ų134.985%0.84671%0.71SS**SBendtrans-109.410-171.9-63.3-158.5152.300115.5
131I34.5Very low32.5Very low126 Ų126137.8 Ų137.865%0.64672%0.724SS**  trans-125.8102-179.7-53.8-179.2000111.4
132S29.1Very low31.8Very low114 Ų114140.5 Ų140.580%0.79774%0.741SS**  trans-67.3124166.1-61.50000110.2A134S132-A134 PolarHBondContact O-N 2.83Å
133P32.6Very low31.3Very low125 Ų125141.8 Ų141.881%0.81275%0.75SS**  trans-75.6109.4-172.628.1-34.2000112.6
134A29.2Very low30.5Very low90 Ų90143.8 Ų143.874%0.74477%0.769SS**  trans-76.5132.3166.700000110.6S132 L136S132-A134 PolarHBondContact O-N 2.83Å; A134-L136 PolarHBondContact O-N 2.92Å; A134-L136 VanDerWaalsContact O-N 3.17Å
135K28.5Very low30.1Very low211 Ų211144.3 Ų144.392%0.91778%0.777SS**  trans-67.7109.5-174.2-65.7177.9177.8176.20112.3
136L27.5Very low29.8Very low169 Ų169145.8 Ų145.889%0.88579%0.788SS**PPolyproline II helixtrans-98.1132.9163.3-88142.6000110A134A134-L136 PolarHBondContact O-N 2.92Å; A134-L136 VanDerWaalsContact O-N 3.17Å
137K27.1Very low29.7Very low202 Ų202149.3 Ų149.388%0.87881%0.809SS**PPolyproline II helixtrans-84130.7178.9-67.7179.6177.3179.80110.1
138Q27Very low29.2Very low192 Ų192147.6 Ų147.690%0.89781%0.811SS**PPolyproline II helixtrans-74.7139.7168.1-69.6179.7-19.900111
139P28.2Very low29Very low115 Ų115149.4 Ų149.475%0.74782%0.82SS**PPolyproline II helixtrans-93.7134.7155.933.1-26.8000110.9
140S25.1Very low29.4Very low118 Ų118149.7 Ų149.783%0.82582%0.824SS**PPolyproline II helixtrans-74.5129.5172.151.10000111.4
141L26.8Very low29.4Very low166 Ų166143.8 Ų143.887%0.86981%0.811SS**  trans-104.2122.2174-82.9163.1000111
142T23Very low29.9Very low127 Ų127143 Ų14378%0.77981%0.809SS**  trans-98.5114.1169.7-49.60000108.7
143I27Very low30.7Very low154 Ų154139.2 Ų139.279%0.7978%0.779SS**  trans-78.1127.9179.6-61.4169.3000109.6
144T24.7Very low31.2Very low135 Ų135138.9 Ų138.983%0.82877%0.769SS**  trans-124.7118.1160.2480000109.3
145S28.7Very low32Very low106 Ų106142 Ų14274%0.74177%0.765SS**  trans-87.9127.8-177.845.40000111.2
146K27.1Very low33.1Very low207 Ų207133.9 Ų133.990%0.973%0.733SS**  trans-132.3110.4156.6-78.5-167.1174.7-177.30109.3G148K146-G148 PolarHBondContact O-N 3.3Å
147V32.4Very low33.9Very low155 Ų155127.2 Ų127.294%0.93970%0.698SS**  trans-71.6120.6172.3177.90000107.9
148G28.4Very low34.8Very low64 Ų64121.9 Ų121.966%0.6668%0.679SS**  trans-121145.1176.600000110.9K146K146-G148 PolarHBondContact O-N 3.3Å
149E31.4Very low35.8Very low199 Ų199119.8 Ų119.893%0.9367%0.667SS**  trans-50.7144.1-165.9-61.7170.212600116.1G151E149-G151 PolarHBondContact O-N 2.68Å
150Q42.6Very low36.8Very low188 Ų188119.7 Ų119.788%0.87966%0.657SS**  trans-68.286.2176-73.3178.7-20.500112N152Q150-N152 PolarHBondContact O-N 2.91Å
151G36.6Very low38.2Very low56 Ų56120.6 Ų120.658%0.57764%0.642SS**  trans-73.3110.8172.500000112.6E149 L153E149-G151 PolarHBondContact O-N 2.68Å; G151-L153 PolarHBondContact O-N 2.77Å
152N45.5Very low39.6Very low110 Ų110117.5 Ų117.559%0.58863%0.631SS**  trans-34118.8175.9-174-22.9000113.5Q150 M154 K155Q150-N152 PolarHBondContact O-N 2.91Å; N152-M154 PolarHBondContact O-N 3.16Å; N152-M154 VanDerWaalsContact O-N 3.11Å; N152-M154 PolarHBondContact OD1-N 2.76Å; N152-K155 WeakPolarHBondContact O-CB 3.47Å; N152-K155 PolarHBondContact O-N 3.31Å
153L44.6Very low41.5Very low35 Ų35121.9 Ų121.918%0.18364%0.64CS.*Hα-helixtrans-54.7-36.8-169.6-165.873.1000112.8G151 K155 T156 L157 D528G151-L153 PolarHBondContact O-N 2.77Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 3.5Å; L153-T156 PolarHBondContact O-N 3.15Å; L153-L157 HydrophobicContact CD2-CD1 3.97Å; L153-L157 HydrophobicContact CG-CD1 3.73Å; L153-L157 HydrophobicContact CG-CG 4.16Å; L153-L157 WeakPolarHBondContact O-CG 3.25Å; L153-L157 PolarHBondContact O-N 3.48Å; L153-D528 WeakPolarHBondContact CD2-OD2 3.47Å
154M43.6Very low43.3Very low118 Ų118124.5 Ų124.558%0.58164%0.64SS**Hα-helixtrans-53-42.8173.3-104.8-79.4-172.500112.8N152 L157 L158N152-M154 PolarHBondContact O-N 3.16Å; N152-M154 VanDerWaalsContact O-N 3.11Å; N152-M154 PolarHBondContact OD1-N 2.76Å; M154-L157 PolarHBondContact O-N 2.86Å; M154-L158 WeakPolarHBondContact O-CB 3.23Å; M154-L158 WeakPolarHBondContact O-CD1 3.46Å; M154-L158 VanDerWaalsContact O-CG 3.25Å; M154-L158 WeakPolarHBondContact O-CG 3.47Å; M154-L158 PolarHBondContact O-N 3.04Å
155K46.8Very low45.8Very low156 Ų156122.7 Ų122.768%0.67863%0.628SS**Hα-helixtrans-69.1-32.1178-78.1-175.5174.4177.90112.7N152 L153N152-K155 WeakPolarHBondContact O-CB 3.47Å; N152-K155 PolarHBondContact O-N 3.31Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 3.5Å
156T50.5Low48.3Very low40 Ų40123.7 Ų123.725%0.24563%0.63CS.*Hα-helixtrans-76-39.1177.8-59.10000111L153 K159L153-T156 PolarHBondContact O-N 3.15Å; T156-K159 WeakPolarHBondContact O-CB 3.43Å; T156-K159 WeakPolarHBondContact O-CG 3.45Å; T156-K159 PolarHBondContact O-N 2.8Å; T156-K159 VanDerWaalsContact O-N 3.12Å
157L44.3Very low51.1Low28 Ų28119 Ų11915%0.14761%0.611CS.*Hα-helixtrans-74.9-28.1179.2-63.4176.9000113L153 M154 K159 Q160 V201L153-L157 HydrophobicContact CD2-CD1 3.97Å; L153-L157 HydrophobicContact CG-CD1 3.73Å; L153-L157 HydrophobicContact CG-CG 4.16Å; L153-L157 WeakPolarHBondContact O-CG 3.25Å; L153-L157 PolarHBondContact O-N 3.48Å; M154-L157 PolarHBondContact O-N 2.86Å; L157-K159 PolarHBondContact O-N 3.45Å; L157-K159 VanDerWaalsContact O-N 3.15Å; L157-Q160 WeakPolarHBondContact O-CB 3.5Å; L157-Q160 WeakPolarHBondContact O-CG 3.22Å; L157-Q160 PolarHBondContact O-N 3.44Å; L157-V201 HydrophobicContact CB-CG1 4.06Å; L157-V201 HydrophobicContact CB-CG2 4.42Å; L157-V201 HydrophobicContact CD1-CB 3.84Å; L157-V201 HydrophobicContact CD1-CG1 3.69Å; L157-V201 HydrophobicContact CD1-CG2 4.12Å; L157-V201 HydrophobicContact CD2-CG1 3.61Å; L157-V201 HydrophobicContact CG-CG1 3.94Å
158L46.6Very low53.7Low90 Ų90114.4 Ų114.447%0.47158%0.581SS.*G310 helixtrans-60.1-18.7166.8-78.2165.1000113.4M154 Q160 R161M154-L158 WeakPolarHBondContact O-CB 3.23Å; M154-L158 WeakPolarHBondContact O-CD1 3.46Å; M154-L158 VanDerWaalsContact O-CG 3.25Å; M154-L158 WeakPolarHBondContact O-CG 3.47Å; M154-L158 PolarHBondContact O-N 3.04Å; L158-Q160 PolarHBondContact O-N 2.9Å; L158-R161 PolarHBondContact O-N 3.25Å
159K47.5Very low56.5Low148 Ų148115 Ų11564%0.64357%0.569SS**G310 helixtrans-73.3-2.8171.8-54.2171.9-178168.50113.8T156 L157 R161T156-K159 WeakPolarHBondContact O-CB 3.43Å; T156-K159 WeakPolarHBondContact O-CG 3.45Å; T156-K159 PolarHBondContact O-N 2.8Å; T156-K159 VanDerWaalsContact O-N 3.12Å; L157-K159 PolarHBondContact O-N 3.45Å; L157-K159 VanDerWaalsContact O-N 3.15Å; K159-R161 PolarHBondContact O-N 2.8Å
160Q50.1Low59.1Low114 Ų114109.9 Ų109.953%0.53355%0.545SS..G310 helixtrans-70.5-17.9170.6-70-172.9-6.500112.8L157 L158L157-Q160 WeakPolarHBondContact O-CB 3.5Å; L157-Q160 WeakPolarHBondContact O-CG 3.22Å; L157-Q160 PolarHBondContact O-N 3.44Å; L158-Q160 PolarHBondContact O-N 2.9Å
161R53.8Low61.2Low137 Ų137105.7 Ų105.752%0.51753%0.529SS..SBendtrans-65.1126.9162.1-79.2-171.7171-155.8-8.8108.3L158 K159 K163 E187L158-R161 PolarHBondContact O-N 3.25Å; K159-R161 PolarHBondContact O-N 2.8Å; R161-K163 PolarHBondContact O-N 2.89Å; R161-E187 IonicContact CZ-OE1 3.73Å; R161-E187 IonicContact NH1-OE1 2.74Å; R161-E187 PolarHBondContact NH1-OE1 2.95Å; R161-E187 IonicContact NH2-OE1 2.79Å; R161-E187 PolarHBondContact NH2-OE1 3.41Å
162P55.9Low63.7Low100 Ų100108.6 Ų108.665%0.64953%0.531SS*.  trans-56.4134.3174.424-32.9000108.9R164P162-R164 PolarHBondContact O-N 3.07Å
163K62.4Low65.5Low220 Ų220106.2 Ų106.296%0.95752%0.518SS*.SBendtrans-55.8-12.4-176.8-68.2-177.5-179.9175.90114.3R161R161-K163 PolarHBondContact O-N 2.89Å
164R65.8Low67.2Low208 Ų208111.6 Ų111.679%0.78555%0.546SS*.SBendtrans-136.9121.6175.9-171.7176-174.7179.53108.5P162 T166P162-R164 PolarHBondContact O-N 3.07Å; R164-T166 PolarHBondContact O-N 2.91Å
165V76.4Confident68.4Low98 Ų98109.9 Ų109.959%0.59456%0.558SS**  trans-64128164.7178.40000107.4H167 L168V165-H167 WeakPolarHBondContact CG1-O 3.45Å; V165-L168 HydrophobicContact CG1-CD2 3.8Å; V165-L168 HydrophobicContact CG1-CG 4.1Å
166T81.8Confident69Low127 Ų127114 Ų11478%0.77957%0.57SS**  trans-83.1-37.4-178.254.10000112.1R164R164-T166 PolarHBondContact O-N 2.91Å
167H85.7Confident69.6Low107 Ų107119.2 Ų119.250%0.49559%0.593SS.*  trans-166162.1170.965.4-60000108.5V165 D171V165-H167 WeakPolarHBondContact CG1-O 3.45Å; H167-D171 WeakPolarHBondContact CA-OD2 3.09Å
168L86.3Confident70.7Confident60 Ų60124 Ų12431%0.31463%0.629SS.*  trans-105.1160.5168.1-63.4172000110V165 Q170 D171 D183V165-L168 HydrophobicContact CG1-CD2 3.8Å; V165-L168 HydrophobicContact CG1-CG 4.1Å; L168-Q170 VanDerWaalsContact C-N 3.27Å; L168-Q170 HydrophobicContact CB-CG 3.79Å; L168-Q170 HydrophobicContact CD1-CG 4.28Å; L168-Q170 VanDerWaalsContact CD1-NE2 3.33Å; L168-Q170 PolarHBondContact O-N 3.27Å; L168-D171 PolarHBondContact N-OD2 3.39Å; L168-D171 WeakPolarHBondContact O-CB 3.38Å; L168-D171 PolarHBondContact O-N 2.85Å; L168-D183 HydrophobicContact CD2-CB 4.46Å
169L88.3Confident72.2Confident76 Ų76124.3 Ų124.340%0.39862%0.623SS.*G310 helixtrans-63.8-38176.5-66.2175.8000111D171 N172 D183 F186L169-D171 PolarHBondContact O-N 3.41Å; L169-N172 PolarHBondContact O-N 2.81Å; L169-D183 WeakPolarHBondContact CB-OD2 3.24Å; L169-D183 PolarHBondContact N-OD1 2.9Å; L169-D183 PolarHBondContact N-OD2 3.38Å; L169-D183 VanDerWaalsContact N-OD2 3.15Å; L169-F186 HydrophobicContact CD1-CD2 4.14Å; L169-F186 HydrophobicContact CD1-CE2 3.78Å
170Q85.5Confident74.1Confident92 Ų92122.7 Ų122.743%0.4362%0.617SS.*G310 helixtrans-58-27.5175.365.8-179.46.900114.6L168 N172 L173 D183L168-Q170 VanDerWaalsContact C-N 3.27Å; L168-Q170 HydrophobicContact CB-CG 3.79Å; L168-Q170 HydrophobicContact CD1-CG 4.28Å; L168-Q170 VanDerWaalsContact CD1-NE2 3.33Å; L168-Q170 PolarHBondContact O-N 3.27Å; Q170-N172 PolarHBondContact O-N 3.16Å; Q170-N172 VanDerWaalsContact O-N 3.16Å; Q170-L173 WeakPolarHBondContact O-CB 3.47Å; Q170-L173 PolarHBondContact O-N 3.25Å; Q170-D183 PolarHBondContact N-OD2 3.22Å
171D87.6Confident76.1Confident100 Ų100122.9 Ų122.954%0.53562%0.618SS.*G310 helixtrans-64-23.1-179.8-59.2-17.4000111.9H167 L168 L169H167-D171 WeakPolarHBondContact CA-OD2 3.09Å; L168-D171 PolarHBondContact N-OD2 3.39Å; L168-D171 WeakPolarHBondContact O-CB 3.38Å; L168-D171 PolarHBondContact O-N 2.85Å; L169-D171 PolarHBondContact O-N 3.41Å
172N87.9Confident77.8Confident117 Ų117121.5 Ų121.563%0.62661%0.613SS**G310 helixtrans-87.20.3177.3-62.9-66.5000113.5L169 Q170L169-N172 PolarHBondContact O-N 2.81Å; Q170-N172 PolarHBondContact O-N 3.16Å; Q170-N172 VanDerWaalsContact O-N 3.16Å
173L83.9Confident79.5Confident59 Ų59117.9 Ų117.931%0.30959%0.588SS.*SBendtrans-109.3113.5-169.2-54.3-179.1000112.7Q170 G175 R179 Y182Q170-L173 WeakPolarHBondContact O-CB 3.47Å; Q170-L173 PolarHBondContact O-N 3.25Å; L173-G175 PolarHBondContact O-N 3.32Å; L173-G175 VanDerWaalsContact O-N 3.07Å; L173-R179 VanDerWaalsContact C-NH1 3.29Å; L173-R179 PolarHBondContact O-NH1 2.94Å; L173-R179 VanDerWaalsContact O-NH1 3.16Å; L173-Y182 HydrophobicContact CD1-CD2 4.05Å; L173-Y182 HydrophobicContact CD1-CE2 4.15Å
174L80.1Confident80.9Confident149 Ų149110.9 Ų110.978%0.7856%0.561SS**  trans-51.7104.4-175.1-61.5170.5000114.7R176 R179L174-R176 VanDerWaalsContact C-N 3.31Å; L174-R176 PolarHBondContact O-N 3.46Å; L174-R179 VanDerWaalsContact C-NH1 3.26Å; L174-R179 PolarHBondContact O-NH1 3.35Å; L174-R179 PolarHBondContact O-NH2 2.87Å
175G68.8Low82.3Confident81 Ų81105 Ų10584%0.83554%0.542SS*.SBendtrans-64.441.1-163.500000121.3L173L173-G175 PolarHBondContact O-N 3.32Å; L173-G175 VanDerWaalsContact O-N 3.07Å
176R60.1Low83.1Confident244 Ų244105.5 Ų105.592%0.92154%0.536SS*.SBendtrans-107.93.9-179.7-70.7-168.4179.5-1690.7116.6L174L174-R176 VanDerWaalsContact C-N 3.31Å; L174-R176 PolarHBondContact O-N 3.46Å
177M62.4Low83.6Confident148 Ų148103.9 Ų103.973%0.72952%0.52SS*.SBendtrans-142.4151.3179.2-64.5-178.675.900110.7R179M177-R179 PolarHBondContact O-N 3.38Å
178S67.2Low84Confident129 Ų129105 Ų10590%0.90252%0.523SS*.  trans-59.7131.5162.3-175.70000108.8
179R78.6Confident84.3Confident96 Ų96106.2 Ų106.236%0.36253%0.526SS..  trans-127.9156-175-74.2-156.1177.785.36111.6L173 L174 M177 Q181L173-R179 VanDerWaalsContact C-NH1 3.29Å; L173-R179 PolarHBondContact O-NH1 2.94Å; L173-R179 VanDerWaalsContact O-NH1 3.16Å; L174-R179 VanDerWaalsContact C-NH1 3.26Å; L174-R179 PolarHBondContact O-NH1 3.35Å; L174-R179 PolarHBondContact O-NH2 2.87Å; M177-R179 PolarHBondContact O-N 3.38Å; R179-Q181 PolarHBondContact O-N 3.37Å
180F88.4Confident84.5Confident114 Ų114105.6 Ų105.650%0.552%0.522SS..  trans-57.9126.5163.4-172.1-92.7000110.1Y182 F185F180-Y182 HydrophobicContact CB-CE2 4.21Å; F180-Y182 AromaticContact CD1-CD1 3.6Å; F180-Y182 HydrophobicContact CD1-CD1 3.6Å; F180-Y182 HydrophobicContact CD1-CD2 4.05Å; F180-Y182 AromaticContact CD1-CE1 3.68Å; F180-Y182 HydrophobicContact CD1-CE1 3.68Å; F180-Y182 HydrophobicContact CD1-CE2 4.12Å; F180-Y182 AromaticContact CD1-CG 3.79Å; F180-Y182 HydrophobicContact CD1-CG 3.79Å; F180-Y182 AromaticContact CD1-CZ 3.95Å; F180-Y182 AromaticContact CE1-CD1 3.89Å; F180-Y182 HydrophobicContact CE1-CD1 3.89Å; F180-Y182 HydrophobicContact CE1-CE1 4.2Å; F180-Y182 HydrophobicContact CE1-CG 4.3Å; F180-Y182 VanDerWaalsContact O-CD2 3.23Å; F180-Y182 WeakPolarHBondContact O-CD2 3.45Å; F180-Y182 PolarHBondContact O-N 3.36Å; F180-Y182 VanDerWaalsContact O-N 3.13Å; F180-F185 HydrophobicContact CE1-CB 3.77Å; F180-F185 HydrophobicContact CE1-CD1 4.33Å; F180-F185 HydrophobicContact CE1-CD2 4.47Å; F180-F185 AromaticContact CE1-CG 3.95Å; F180-F185 HydrophobicContact CE1-CG 3.95Å; F180-F185 HydrophobicContact CZ-CB 3.77Å; F180-F185 HydrophobicContact CZ-CD1 4.27Å; F180-F185 AromaticContact CZ-CD2 3.71Å; F180-F185 HydrophobicContact CZ-CD2 3.71Å; F180-F185 HydrophobicContact CZ-CE2 4.37Å; F180-F185 AromaticContact CZ-CG 3.65Å; F180-F185 HydrophobicContact CZ-CG 3.65Å
181Q90.4Very high84.9Confident119 Ų119106.5 Ų106.556%0.55653%0.526SS*.  trans-83.585.6179.7-66.4167.2-72.600109.3R179 D184 F185R179-Q181 PolarHBondContact O-N 3.37Å; Q181-D184 HydrophobicContact CB-CB 3.86Å; Q181-D184 WeakPolarHBondContact CB-OD2 3.45Å; Q181-D184 PolarHBondContact NE2-OD2 3.29Å; Q181-F185 WeakPolarHBondContact O-CB 3.43Å; Q181-F185 PolarHBondContact O-N 3.08Å
182Y91.4Very high85Confident107 Ų107105.9 Ų105.942%0.4252%0.52SS..Hα-helixtrans-60-47.3-177-68.1-84.7000112.3L173 F180 F185 F186L173-Y182 HydrophobicContact CD1-CD2 4.05Å; L173-Y182 HydrophobicContact CD1-CE2 4.15Å; F180-Y182 HydrophobicContact CB-CE2 4.21Å; F180-Y182 AromaticContact CD1-CD1 3.6Å; F180-Y182 HydrophobicContact CD1-CD1 3.6Å; F180-Y182 HydrophobicContact CD1-CD2 4.05Å; F180-Y182 AromaticContact CD1-CE1 3.68Å; F180-Y182 HydrophobicContact CD1-CE1 3.68Å; F180-Y182 HydrophobicContact CD1-CE2 4.12Å; F180-Y182 AromaticContact CD1-CG 3.79Å; F180-Y182 HydrophobicContact CD1-CG 3.79Å; F180-Y182 AromaticContact CD1-CZ 3.95Å; F180-Y182 AromaticContact CE1-CD1 3.89Å; F180-Y182 HydrophobicContact CE1-CD1 3.89Å; F180-Y182 HydrophobicContact CE1-CE1 4.2Å; F180-Y182 HydrophobicContact CE1-CG 4.3Å; F180-Y182 VanDerWaalsContact O-CD2 3.23Å; F180-Y182 WeakPolarHBondContact O-CD2 3.45Å; F180-Y182 PolarHBondContact O-N 3.36Å; F180-Y182 VanDerWaalsContact O-N 3.13Å; Y182-F185 PolarHBondContact O-N 3.34Å; Y182-F186 WeakPolarHBondContact O-CD2 3.47Å; Y182-F186 WeakPolarHBondContact O-CG 3.44Å; Y182-F186 PolarHBondContact O-N 3.47Å
183D90.9Very high85Confident24 Ų24103.9 Ų103.913%0.12851%0.506CS..Hα-helixtrans-59.7-53-180-57.4-82.6000110.7L168 L169 Q170 F185 F186 E187L168-D183 HydrophobicContact CD2-CB 4.46Å; L169-D183 WeakPolarHBondContact CB-OD2 3.24Å; L169-D183 PolarHBondContact N-OD1 2.9Å; L169-D183 PolarHBondContact N-OD2 3.38Å; L169-D183 VanDerWaalsContact N-OD2 3.15Å; Q170-D183 PolarHBondContact N-OD2 3.22Å; D183-F185 VanDerWaalsContact C-N 3.32Å; D183-F185 PolarHBondContact O-N 2.92Å; D183-F186 PolarHBondContact O-N 2.6Å; D183-F186 VanDerWaalsContact O-N 3.1Å; D183-E187 WeakPolarHBondContact O-CG 3.23Å; D183-E187 PolarHBondContact O-N 2.79Å
184D91.8Very high85.1Confident73 Ų73103.9 Ų103.939%0.3950%0.504SS..Hα-helixtrans-58.8-39.3178-57.2-19.9000112.7Q181 E187 K188Q181-D184 HydrophobicContact CB-CB 3.86Å; Q181-D184 WeakPolarHBondContact CB-OD2 3.45Å; Q181-D184 PolarHBondContact NE2-OD2 3.29Å; D184-E187 PolarHBondContact O-N 2.96Å; D184-K188 WeakPolarHBondContact O-CB 3.28Å; D184-K188 PolarHBondContact O-N 2.89Å
185F94.4Very high85.5Confident84 Ų84102.2 Ų102.237%0.36850%0.496SS..Hα-helixtrans-62.2-44.1175.3172.6-95.1000112F180 Q181 Y182 D183 K188 K189F180-F185 HydrophobicContact CE1-CB 3.77Å; F180-F185 HydrophobicContact CE1-CD1 4.33Å; F180-F185 HydrophobicContact CE1-CD2 4.47Å; F180-F185 AromaticContact CE1-CG 3.95Å; F180-F185 HydrophobicContact CE1-CG 3.95Å; F180-F185 HydrophobicContact CZ-CB 3.77Å; F180-F185 HydrophobicContact CZ-CD1 4.27Å; F180-F185 AromaticContact CZ-CD2 3.71Å; F180-F185 HydrophobicContact CZ-CD2 3.71Å; F180-F185 HydrophobicContact CZ-CE2 4.37Å; F180-F185 AromaticContact CZ-CG 3.65Å; F180-F185 HydrophobicContact CZ-CG 3.65Å; Q181-F185 WeakPolarHBondContact O-CB 3.43Å; Q181-F185 PolarHBondContact O-N 3.08Å; Y182-F185 PolarHBondContact O-N 3.34Å; D183-F185 VanDerWaalsContact C-N 3.32Å; D183-F185 PolarHBondContact O-N 2.92Å; F185-K188 PolarHBondContact O-N 3.08Å; F185-K189 HydrophobicContact CD1-CG 4.45Å; F185-K189 HydrophobicContact CE1-CG 4.04Å; F185-K189 HydrophobicContact CE2-CG 4.33Å; F185-K189 HydrophobicContact CZ-CD 4.4Å; F185-K189 HydrophobicContact CZ-CG 3.98Å; F185-K189 WeakPolarHBondContact O-CG 3.33Å; F185-K189 PolarHBondContact O-N 2.8Å
186F93.8Very high86.1Confident110 Ų110100.8 Ų100.848%0.48247%0.469SS..Hα-helixtrans-70.4-38.2177.9-66.5-52.8000112.1L169 Y182 D183 K189 I190L169-F186 HydrophobicContact CD1-CD2 4.14Å; L169-F186 HydrophobicContact CD1-CE2 3.78Å; Y182-F186 WeakPolarHBondContact O-CD2 3.47Å; Y182-F186 WeakPolarHBondContact O-CG 3.44Å; Y182-F186 PolarHBondContact O-N 3.47Å; D183-F186 PolarHBondContact O-N 2.6Å; D183-F186 VanDerWaalsContact O-N 3.1Å; F186-K189 PolarHBondContact O-N 3Å; F186-I190 WeakPolarHBondContact O-CG1 3.38Å; F186-I190 PolarHBondContact O-N 3.12Å
187E92.1Very high87.2Confident93 Ų9393.4 Ų93.444%0.43545%0.445SS..Hα-helixtrans-59.6-47.1173.1-67.3-145.9122.300111.2R161 D183 D184 K189 I190 E191R161-E187 IonicContact CZ-OE1 3.73Å; R161-E187 IonicContact NH1-OE1 2.74Å; R161-E187 PolarHBondContact NH1-OE1 2.95Å; R161-E187 IonicContact NH2-OE1 2.79Å; R161-E187 PolarHBondContact NH2-OE1 3.41Å; D183-E187 WeakPolarHBondContact O-CG 3.23Å; D183-E187 PolarHBondContact O-N 2.79Å; D184-E187 PolarHBondContact O-N 2.96Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.15Å; E187-I190 PolarHBondContact O-N 3.3Å; E187-I190 VanDerWaalsContact O-N 3.08Å; E187-E191 PolarHBondContact O-N 2.88Å
188K94.8Very high88.1Confident129 Ų12986.6 Ų86.656%0.56141%0.411SS*.Hα-helixtrans-59.7-39.6175.4-174171.9-178172.70112.6D184 F185 I190 E191 E192D184-K188 WeakPolarHBondContact O-CB 3.28Å; D184-K188 PolarHBondContact O-N 2.89Å; F185-K188 PolarHBondContact O-N 3.08Å; K188-I190 VanDerWaalsContact C-N 3.3Å; K188-I190 PolarHBondContact O-N 3.22Å; K188-E191 PolarHBondContact O-N 3.43Å; K188-E192 WeakPolarHBondContact O-CG 3.39Å; K188-E192 PolarHBondContact O-N 3.19Å
189K93.1Very high89.1Confident86 Ų8684.9 Ų84.937%0.37439%0.386SS..Hα-helixtrans-66.9-27.8175.6-74.5-74.3166.3-128.50113.5F185 F186 E187 E192F185-K189 HydrophobicContact CD1-CG 4.45Å; F185-K189 HydrophobicContact CE1-CG 4.04Å; F185-K189 HydrophobicContact CE2-CG 4.33Å; F185-K189 HydrophobicContact CZ-CD 4.4Å; F185-K189 HydrophobicContact CZ-CG 3.98Å; F185-K189 WeakPolarHBondContact O-CG 3.33Å; F185-K189 PolarHBondContact O-N 2.8Å; F186-K189 PolarHBondContact O-N 3Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.15Å; K189-E192 WeakPolarHBondContact CD-OE2 3.37Å; K189-E192 IonicContact NZ-OE1 2.7Å; K189-E192 PolarHBondContact NZ-OE1 3.21Å; K189-E192 IonicContact NZ-OE2 3.64Å; K189-E192 PolarHBondContact NZ-OE2 2.8Å
190I92Very high89.5Confident64 Ų6486 Ų8633%0.32839%0.39SS..Hα-helixtrans-77.8-38.6171.1-64.7-59.7000111.2F186 E187 K188 K193 K194 Y199F186-I190 WeakPolarHBondContact O-CG1 3.38Å; F186-I190 PolarHBondContact O-N 3.12Å; E187-I190 PolarHBondContact O-N 3.3Å; E187-I190 VanDerWaalsContact O-N 3.08Å; K188-I190 VanDerWaalsContact C-N 3.3Å; K188-I190 PolarHBondContact O-N 3.22Å; I190-K193 PolarHBondContact O-N 3.46Å; I190-K194 HydrophobicContact CG2-CD 4.35Å; I190-K194 WeakPolarHBondContact O-CG 3.5Å; I190-K194 PolarHBondContact O-N 3.47Å; I190-K194 VanDerWaalsContact O-N 3.08Å; I190-Y199 HydrophobicContact CD1-CE2 4.35Å; I190-Y199 HydrophobicContact CG2-CD2 4.16Å; I190-Y199 HydrophobicContact CG2-CE2 3.83Å
191E92.4Very high89.5Confident110 Ų11082.3 Ų82.351%0.51438%0.377SS..Hα-helixtrans-61.8-43.7174.8-173.8172.5-142.900112E187 K188 K193 K194 N195E187-E191 PolarHBondContact O-N 2.88Å; K188-E191 PolarHBondContact O-N 3.43Å; E191-K193 VanDerWaalsContact C-N 3.25Å; E191-K193 PolarHBondContact O-N 2.85Å; E191-K194 PolarHBondContact O-N 2.83Å; E191-N195 PolarHBondContact O-N 3.18Å
192E91.3Very high89.6Confident87 Ų8784.2 Ų84.241%0.40738%0.383SS..Hα-helixtrans-49.4-45.4171.4-78.1171.4-151.900111.7K188 K189 D196K188-E192 WeakPolarHBondContact O-CG 3.39Å; K188-E192 PolarHBondContact O-N 3.19Å; K189-E192 WeakPolarHBondContact CD-OE2 3.37Å; K189-E192 IonicContact NZ-OE1 2.7Å; K189-E192 PolarHBondContact NZ-OE1 3.21Å; K189-E192 IonicContact NZ-OE2 3.64Å; K189-E192 PolarHBondContact NZ-OE2 2.8Å; E192-D196 WeakPolarHBondContact O-CB 3.39Å; E192-D196 PolarHBondContact O-N 3.23Å
193K86.2Confident89.7Confident75 Ų7580.2 Ų80.233%0.32637%0.368SS..Hα-helixtrans-72.6-30.1177.9-70.2-162.8129.8-64.90114.3I190 E191 H197 T198 Y199I190-K193 PolarHBondContact O-N 3.46Å; E191-K193 VanDerWaalsContact C-N 3.25Å; E191-K193 PolarHBondContact O-N 2.85Å; K193-H197 PolarHBondContact O-N 2.83Å; K193-T198 PolarHBondContact NZ-O 3.36Å; K193-T198 VanDerWaalsContact NZ-O 3.08Å; K193-T198 PolarHBondContact NZ-OG1 3.01Å; K193-T198 CarbonylContact O-C 3.5Å; K193-T198 PolarHBondContact O-N 2.95Å; K193-Y199 HydrophobicContact CB-CD2 4.41Å; K193-Y199 PolarHBondContact O-N 3.19Å
194K87.8Confident89.9Confident60 Ų6081.9 Ų81.926%0.26138%0.379SS..Hα-helixtrans-71.1-48.1178.2-74.8174.6175.4178.90110.9I190 E191 D196 H197 Y199I190-K194 HydrophobicContact CG2-CD 4.35Å; I190-K194 WeakPolarHBondContact O-CG 3.5Å; I190-K194 PolarHBondContact O-N 3.47Å; I190-K194 VanDerWaalsContact O-N 3.08Å; E191-K194 PolarHBondContact O-N 2.83Å; K194-D196 PolarHBondContact O-N 3.08Å; K194-H197 PolarHBondContact O-N 2.83Å; K194-Y199 HydrophobicContact CG-CD1 4.13Å; K194-Y199 HydrophobicContact CG-CD2 4.36Å; K194-Y199 HydrophobicContact CG-CG 3.87Å
195N87.2Confident90.1Very high114 Ų11480.3 Ų80.361%0.6137%0.372SS*.Hα-helixtrans-64.7-26.3178.5-62.8-8000112E191 H197E191-N195 PolarHBondContact O-N 3.18Å; N195-H197 PolarHBondContact O-CD2 2.84Å
196D81.6Confident90.3Very high50 Ų5080.8 Ų80.827%0.26738%0.378SS..THydrogen-bonded Turntrans-86.1-1.8176.2-176.150.2000114E192 K194 T198 R548E192-D196 WeakPolarHBondContact O-CB 3.39Å; E192-D196 PolarHBondContact O-N 3.23Å; K194-D196 PolarHBondContact O-N 3.08Å; D196-T198 PolarHBondContact O-N 3.32Å; D196-T198 WeakPolarHBondContact OD2-CB 3.4Å; D196-T198 WeakPolarHBondContact OD2-CG2 3.46Å; D196-T198 PolarHBondContact OD2-OG1 3.16Å; D196-R548 IonicContact OD1-CZ 2.67Å; D196-R548 IonicContact OD1-NH1 3.54Å; D196-R548 PolarHBondContact OD1-NH1 2.84Å; D196-R548 IonicContact OD1-NH2 2.93Å; D196-R548 PolarHBondContact OD1-NH2 2.9Å; D196-R548 IonicContact OD2-CZ 3.54Å; D196-R548 IonicContact OD2-NH1 3.59Å; D196-R548 PolarHBondContact OD2-NH1 3.46Å; D196-R548 IonicContact OD2-NH2 3.26Å; D196-R548 PolarHBondContact OD2-NH2 3.38Å
197H84Confident90.5Very high90 Ų9080 Ų8042%0.41737%0.372SS..THydrogen-bonded Turntrans54.620.9-174.3-56.1-108.5000114.3K193 K194 N195 A520 E521K193-H197 PolarHBondContact O-N 2.83Å; K194-H197 PolarHBondContact O-N 2.83Å; N195-H197 PolarHBondContact O-CD2 2.84Å; H197-A520 HydrophobicContact CB-CB 4.32Å; H197-E521 IonicContact CE1-OE1 3.51Å
198T80.6Confident90.8Very high5 Ų577.1 Ų77.13%0.03136%0.36CS..  trans-10810.1175.568.70000113.3K193 D196 R200 Y543K193-T198 PolarHBondContact NZ-O 3.36Å; K193-T198 VanDerWaalsContact NZ-O 3.08Å; K193-T198 PolarHBondContact NZ-OG1 3.01Å; K193-T198 CarbonylContact O-C 3.5Å; K193-T198 PolarHBondContact O-N 2.95Å; D196-T198 PolarHBondContact O-N 3.32Å; D196-T198 WeakPolarHBondContact OD2-CB 3.4Å; D196-T198 WeakPolarHBondContact OD2-CG2 3.46Å; D196-T198 PolarHBondContact OD2-OG1 3.16Å; T198-R200 PolarHBondContact O-N 3.43Å; T198-Y543 HydrophobicContact CG2-CD1 4.08Å; T198-Y543 HydrophobicContact CG2-CG 4.48Å
199Y87.9Confident90.9Very high93 Ų9373.9 Ų73.937%0.36536%0.357SS..  trans-72.3119166.7-175.7-107.2000109.2I190 K193 K194 V201I190-Y199 HydrophobicContact CD1-CE2 4.35Å; I190-Y199 HydrophobicContact CG2-CD2 4.16Å; I190-Y199 HydrophobicContact CG2-CE2 3.83Å; K193-Y199 HydrophobicContact CB-CD2 4.41Å; K193-Y199 PolarHBondContact O-N 3.19Å; K194-Y199 HydrophobicContact CG-CD1 4.13Å; K194-Y199 HydrophobicContact CG-CD2 4.36Å; K194-Y199 HydrophobicContact CG-CG 3.87Å; Y199-V201 HydrophobicContact CD1-CG2 3.85Å; Y199-V201 HydrophobicContact CE1-CG2 3.61Å
200R87.6Confident91.1Very high120 Ų12075.3 Ų75.345%0.45337%0.373SS..  trans-93.5129.4-175.9-64.6180179.3-169.7-7109.7T198 F202 N542 T545T198-R200 PolarHBondContact O-N 3.43Å; R200-F202 HydrophobicContact CB-CE1 4.17Å; R200-N542 PolarHBondContact NH2-O 2.98Å; R200-T545 PolarHBondContact NH1-OG1 3.39Å; R200-T545 PolarHBondContact NH2-OG1 2.88Å
201V88.6Confident91.3Very high36 Ų3677.3 Ų77.322%0.21838%0.381CS..  trans-118.4120.4166-167.20000108.6L157 Y199L157-V201 HydrophobicContact CB-CG1 4.06Å; L157-V201 HydrophobicContact CB-CG2 4.42Å; L157-V201 HydrophobicContact CD1-CB 3.84Å; L157-V201 HydrophobicContact CD1-CG1 3.69Å; L157-V201 HydrophobicContact CD1-CG2 4.12Å; L157-V201 HydrophobicContact CD2-CG1 3.61Å; L157-V201 HydrophobicContact CG-CG1 3.94Å; Y199-V201 HydrophobicContact CD1-CG2 3.85Å; Y199-V201 HydrophobicContact CE1-CG2 3.61Å
202F91.8Very high91.6Very high159 Ų15973 Ų7370%0.69736%0.36SS*.  trans-73.7142.1-172-53.5-46.6000111.6R200R200-F202 HydrophobicContact CB-CE1 4.17Å
203K93.1Very high91.9Very high23 Ų2369.1 Ų69.110%0.134%0.343CS..  trans-77.4128.3166.7-52.3-54.3-179.5-170.90108.4V205 T219 D528 Y537K203-V205 HydrophobicContact CB-CG1 4.37Å; K203-V205 PolarHBondContact O-N 2.91Å; K203-T219 WeakPolarHBondContact CA-OG1 3.21Å; K203-T219 HydrophobicContact CD-CG2 3.8Å; K203-D528 WeakPolarHBondContact CE-OD1 3.35Å; K203-D528 IonicContact NZ-OD1 3.73Å; K203-D528 PolarHBondContact NZ-OD1 3.36Å; K203-Y537 HydrophobicContact CB-CE2 4.05Å; K203-Y537 HydrophobicContact CG-CD2 4.32Å; K203-Y537 HydrophobicContact CG-CE2 3.66Å
204T95.6Very high92.5Very high58 Ų5867.4 Ų67.436%0.35634%0.337SS..  trans-90.898.4-177.8-51.90000108.3F218 T219 L222T204-F218 HydrophobicContact CG2-CB 3.9Å; T204-F218 PolarHBondContact O-N 3.15Å; T204-T219 PolarHBondContact N-OG1 2.83Å; T204-T219 VanDerWaalsContact N-OG1 3.08Å; T204-L222 HydrophobicContact CG2-CD2 4.46Å
205V96.7Very high93Very high40 Ų4064.6 Ų64.624%0.24232%0.324CS..EExtended strand (participates in β ladder)trans-126.6132.2-173.8-65.90000113K203 A215 D216 D217 M531 Y537K203-V205 HydrophobicContact CB-CG1 4.37Å; K203-V205 PolarHBondContact O-N 2.91Å; V205-A215 HydrophobicContact CB-CB 4.39Å; V205-D216 CarbonylContact C-O 3.31Å; V205-D216 VanDerWaalsContact CA-O 3.32Å; V205-D216 WeakPolarHBondContact CA-O 2.98Å; V205-D217 HydrophobicContact CG1-CB 4.46Å; V205-M531 HydrophobicContact CG1-CE 3.92Å; V205-Y537 HydrophobicContact CG1-CD1 4.2Å; V205-Y537 HydrophobicContact CG1-CE1 4.35Å; V205-Y537 HydrophobicContact CG2-CD1 4.26Å; V205-Y537 HydrophobicContact CG2-CE1 3.84Å
206N97.8Very high93.5Very high94 Ų9460 Ų6050%0.50330%0.3SS..EExtended strand (participates in β ladder)trans-108.1103173.2-70.3-18.6000109.1L208 A215 D216 F218N206-L208 PolarHBondContact O-N 3.3Å; N206-A215 CarbonylContact O-C 3.59Å; N206-A215 VanDerWaalsContact O-CA 3.28Å; N206-A215 WeakPolarHBondContact O-CA 3.34Å; N206-A215 WeakPolarHBondContact O-CB 3.19Å; N206-D216 HydrophobicContact CB-CB 4.32Å; N206-D216 PolarHBondContact N-O 2.86Å; N206-D216 PolarHBondContact O-N 3.33Å; N206-F218 HydrophobicContact CB-CE2 4.35Å; N206-F218 WeakPolarHBondContact ND2-CE2 3.45Å
207R98.3Very high94.2Very high94 Ų9457.8 Ų57.836%0.35529%0.288SS..EExtended strand (participates in β ladder)trans-64.2131.8179.6-68.6172.155.6-133-12.6111.2A215 D235 S240R207-A215 HydrophobicContact CG-CB 4.38Å; R207-D235 IonicContact CZ-OD2 3.95Å; R207-D235 IonicContact NH1-OD2 3.84Å; R207-D235 IonicContact NH2-OD2 2.74Å; R207-D235 PolarHBondContact NH2-OD2 2.73Å; R207-S240 PolarHBondContact NH1-OG 3.39Å; R207-S240 PolarHBondContact NH2-OG 2.92Å
208L98.1Very high94.7Very high32 Ų3255.2 Ų55.217%0.16828%0.276CS..  trans-84.3121.6-178.6-60.9178.2000110.5N206 E211 F212 M214N206-L208 PolarHBondContact O-N 3.3Å; L208-E211 HydrophobicContact CB-CB 4.25Å; L208-E211 HydrophobicContact CD1-CB 4.43Å; L208-F212 PolarHBondContact O-N 2.94Å; L208-M214 HydrophobicContact CD1-CB 4.25Å; L208-M214 PolarHBondContact N-O 3.13Å
209A97.8Very high95.1Very high61 Ų6155.6 Ų55.650%0.50428%0.278SS..SBendtrans-73.2-31.717900000112.8R241A209-R241 HydrophobicContact CB-CB 3.83Å; A209-R241 WeakPolarHBondContact O-CB 3.41Å
210T96.9Very high95Very high117 Ų11753.5 Ų53.572%0.71829%0.285SS*.SBendtrans-72.1-32.5177.446.10000112.8
211E97.1Very high94.9Very high106 Ų10649.3 Ų49.350%0.49527%0.274SS..SBendtrans-131.942.9-164.8-72.2164.5-105.300111.1L208 M214L208-E211 HydrophobicContact CB-CB 4.25Å; L208-E211 HydrophobicContact CD1-CB 4.43Å; E211-M214 WeakPolarHBondContact O-CA 3.21Å; E211-M214 WeakPolarHBondContact O-CB 3.35Å; E211-M214 VanDerWaalsContact O-CG 3.26Å; E211-M214 WeakPolarHBondContact O-CG 3.41Å; E211-M214 PolarHBondContact O-N 2.84Å
212F98Very high94.9Very high18 Ų1854.3 Ų54.38%0.07930%0.299CS..THydrogen-bonded Turntrans-63.6131176.4177.5-87.3000110.9L208 D235 R241 T558 H560L208-F212 PolarHBondContact O-N 2.94Å; F212-D235 WeakPolarHBondContact CZ-O 3.3Å; F212-R241 HydrophobicContact CB-CG 3.83Å; F212-R241 HydrophobicContact CD2-CG 4.41Å; F212-R241 HydrophobicContact CG-CG 4.19Å; F212-T558 HydrophobicContact CE1-CG2 4.36Å; F212-T558 HydrophobicContact CZ-CG2 4.08Å; F212-H560 HydrophobicContact CD1-CB 3.64Å; F212-H560 AromaticContact CD1-CD2 3.73Å; F212-H560 AromaticContact CD1-CG 3.73Å; F212-H560 HydrophobicContact CE1-CB 3.78Å; F212-H560 AromaticContact CE1-CD2 3.47Å; F212-H560 VanDerWaalsContact CE1-CD2 3.47Å; F212-H560 WeakPolarHBondContact CE1-CD2 3.36Å; F212-H560 AromaticContact CE1-CG 3.84Å
213P98.1Very high94.7Very high7 Ų755.3 Ų55.35%0.04531%0.306CS..THydrogen-bonded Turncis-102.630.319.439.2-34.8000115.9V230 H561 M565P213-V230 WeakPolarHBondContact O-CB 3.48Å; P213-V230 PolarHBondContact O-N 3.45Å; P213-H561 WeakPolarHBondContact CG-NE2 3.34Å; P213-M565 HydrophobicContact CG-CE 3.83Å
214M98.6Very high94.4Very high39 Ų3959.6 Ų59.619%0.19233%0.33CS..EExtended strand (participates in β ladder)trans-78.3160.9177.8-51-55.4-73.100113.2L208 E211 E227 V228 M565L208-M214 HydrophobicContact CD1-CB 4.25Å; L208-M214 PolarHBondContact N-O 3.13Å; E211-M214 WeakPolarHBondContact O-CA 3.21Å; E211-M214 WeakPolarHBondContact O-CB 3.35Å; E211-M214 VanDerWaalsContact O-CG 3.26Å; E211-M214 WeakPolarHBondContact O-CG 3.41Å; E211-M214 PolarHBondContact O-N 2.84Å; M214-E227 HydrophobicContact CB-CG 4.36Å; M214-E227 HydrophobicContact CE-CG 3.91Å; M214-V228 CarbonylContact C-O 3.56Å; M214-V228 VanDerWaalsContact CA-O 3.31Å; M214-V228 WeakPolarHBondContact CA-O 3.42Å; M214-M565 HydrophobicContact SD-CE 4.05Å
215A98.4Very high94.2Very high0 Ų062.5 Ų62.50%034%0.337CS..EExtended strand (participates in β ladder)trans-149.1152.9177.100000112V205 N206 R207 E227 V228 V230V205-A215 HydrophobicContact CB-CB 4.39Å; N206-A215 CarbonylContact O-C 3.59Å; N206-A215 VanDerWaalsContact O-CA 3.28Å; N206-A215 WeakPolarHBondContact O-CA 3.34Å; N206-A215 WeakPolarHBondContact O-CB 3.19Å; R207-A215 HydrophobicContact CG-CB 4.38Å; A215-E227 WeakPolarHBondContact O-CA 3.43Å; A215-V228 HydrophobicContact CB-CG2 4.18Å; A215-V228 PolarHBondContact N-O 3.38Å; A215-V228 PolarHBondContact O-N 3.29Å; A215-V230 HydrophobicContact CB-CG2 3.51Å
216D97.8Very high94.1Very high19 Ų1964.5 Ų64.510%0.10234%0.34CS..EExtended strand (participates in β ladder)trans-83.9120.7165.5-76.1-28.3000110.5V205 N206 F218 K225V205-D216 CarbonylContact C-O 3.31Å; V205-D216 VanDerWaalsContact CA-O 3.32Å; V205-D216 WeakPolarHBondContact CA-O 2.98Å; N206-D216 HydrophobicContact CB-CB 4.32Å; N206-D216 PolarHBondContact N-O 2.86Å; N206-D216 PolarHBondContact O-N 3.33Å; D216-F218 HydrophobicContact CB-CD2 4.33Å; D216-F218 HydrophobicContact CB-CE2 3.53Å; D216-F218 HydrophobicContact CB-CZ 4.09Å; D216-K225 HydrophobicContact CB-CB 4.36Å; D216-K225 HydrophobicContact CB-CD 4.49Å; D216-K225 IonicContact OD1-NZ 2.69Å; D216-K225 PolarHBondContact OD1-NZ 3.42Å; D216-K225 IonicContact OD2-NZ 3.69Å; D216-K225 PolarHBondContact OD2-NZ 2.99Å
217D96.1Very high94Very high2 Ų264.3 Ų64.31%0.01134%0.337CS..EExtended strand (participates in β ladder)trans-93127173.4171.547000112.1V205 T219 K225 R226 V228 M531V205-D217 HydrophobicContact CG1-CB 4.46Å; D217-T219 WeakPolarHBondContact OD1-CB 3.4Å; D217-T219 PolarHBondContact OD1-N 3.04Å; D217-T219 PolarHBondContact OD1-OG1 3.41Å; D217-K225 WeakPolarHBondContact O-CA 3.46Å; D217-R226 HydrophobicContact CB-CB 4.42Å; D217-R226 WeakPolarHBondContact CB-O 3.46Å; D217-R226 PolarHBondContact N-O 3.26Å; D217-R226 PolarHBondContact O-N 2.99Å; D217-R226 IonicContact OD2-CZ 2.66Å; D217-R226 IonicContact OD2-NE 2.68Å; D217-R226 PolarHBondContact OD2-NE 3.19Å; D217-R226 IonicContact OD2-NH2 2.67Å; D217-R226 PolarHBondContact OD2-NH2 3.48Å; D217-V228 HydrophobicContact CB-CG1 3.93Å; D217-V228 HydrophobicContact CB-CG2 4.18Å; D217-M531 HydrophobicContact CB-CE 3.58Å; D217-M531 VanDerWaalsContact OD1-CE 3.29Å; D217-M531 WeakPolarHBondContact OD1-CE 3.11Å
218F94.6Very high94Very high37 Ų3759.9 Ų59.916%0.16232%0.32CS..  trans-121.220.7176.5-62.4-85.4000111.9T204 N206 D216 G220 S221 L222 K225T204-F218 HydrophobicContact CG2-CB 3.9Å; T204-F218 PolarHBondContact O-N 3.15Å; N206-F218 HydrophobicContact CB-CE2 4.35Å; N206-F218 WeakPolarHBondContact ND2-CE2 3.45Å; D216-F218 HydrophobicContact CB-CD2 4.33Å; D216-F218 HydrophobicContact CB-CE2 3.53Å; D216-F218 HydrophobicContact CB-CZ 4.09Å; F218-G220 VanDerWaalsContact C-N 3.28Å; F218-G220 PolarHBondContact O-N 3.27Å; F218-S221 CarbonylContact C-O 3.12Å; F218-S221 VanDerWaalsContact C-O 3.31Å; F218-S221 WeakPolarHBondContact CA-O 3.41Å; F218-S221 VanDerWaalsContact CB-O 3.28Å; F218-S221 WeakPolarHBondContact CB-O 3.39Å; F218-L222 HydrophobicContact CB-CD2 4.26Å; F218-K225 HydrophobicContact CD1-CB 4.27Å; F218-K225 HydrophobicContact CE1-CB 3.61Å; F218-K225 HydrophobicContact CE2-CB 4.39Å; F218-K225 HydrophobicContact CZ-CB 3.68Å
219T88.3Confident94Very high12 Ų1258.9 Ų58.97%0.07432%0.316CS..SBendtrans-65.7-31.2-178.3-56.50000112.2K203 T204 D217K203-T219 WeakPolarHBondContact CA-OG1 3.21Å; K203-T219 HydrophobicContact CD-CG2 3.8Å; T204-T219 PolarHBondContact N-OG1 2.83Å; T204-T219 VanDerWaalsContact N-OG1 3.08Å; D217-T219 WeakPolarHBondContact OD1-CB 3.4Å; D217-T219 PolarHBondContact OD1-N 3.04Å; D217-T219 PolarHBondContact OD1-OG1 3.41Å
220G85.3Confident94.1Very high49 Ų4956.3 Ų56.351%0.50529%0.294SS..SBendtrans-87.5-3317800000114.7F218F218-G220 VanDerWaalsContact C-N 3.28Å; F218-G220 PolarHBondContact O-N 3.27Å
221S86.8Confident94.2Very high33 Ų3350.8 Ų50.823%0.23126%0.26CS..  trans-154.6146-173.5-177.20000109.1F218 E223 D224F218-S221 CarbonylContact C-O 3.12Å; F218-S221 VanDerWaalsContact C-O 3.31Å; F218-S221 WeakPolarHBondContact CA-O 3.41Å; F218-S221 VanDerWaalsContact CB-O 3.28Å; F218-S221 WeakPolarHBondContact CB-O 3.39Å; S221-E223 VanDerWaalsContact C-N 3.33Å; S221-E223 PolarHBondContact OG-N 3.13Å; S221-D224 VanDerWaalsContact CB-OD2 3.24Å; S221-D224 WeakPolarHBondContact CB-OD2 3.48Å; S221-D224 PolarHBondContact OG-N 3.46Å; S221-D224 VanDerWaalsContact OG-N 3.16Å; S221-D224 PolarHBondContact OG-OD2 3.03Å
222L87.6Confident94.2Very high141 Ų14146.7 Ų46.774%0.73824%0.243SC*.SBendtrans-86.9-8.6169.5-65.9-179.8000112.4T204 F218T204-L222 HydrophobicContact CG2-CD2 4.46Å; F218-L222 HydrophobicContact CB-CD2 4.26Å
223E87.4Confident94.2Very high180 Ų18046.7 Ų46.784%0.84125%0.245SC*.SBendtrans-100.5-39.6-178.6-64.9173-16600110.7S221S221-E223 VanDerWaalsContact C-N 3.33Å; S221-E223 PolarHBondContact OG-N 3.13Å
224D87.3Confident94.3Very high113 Ų11348.8 Ų48.860%0.60426%0.256SS*.SBendtrans-98123.4179.2-45.2-81.2000111.1S221S221-D224 VanDerWaalsContact CB-OD2 3.24Å; S221-D224 WeakPolarHBondContact CB-OD2 3.48Å; S221-D224 PolarHBondContact OG-N 3.46Å; S221-D224 VanDerWaalsContact OG-N 3.16Å; S221-D224 PolarHBondContact OG-OD2 3.03Å
225K91.6Very high94.3Very high118 Ų11847.3 Ų47.351%0.51325%0.248SC..  trans-99.9142.3174.884-165.6-163.6103.60111.5D216 D217 F218D216-K225 HydrophobicContact CB-CB 4.36Å; D216-K225 HydrophobicContact CB-CD 4.49Å; D216-K225 IonicContact OD1-NZ 2.69Å; D216-K225 PolarHBondContact OD1-NZ 3.42Å; D216-K225 IonicContact OD2-NZ 3.69Å; D216-K225 PolarHBondContact OD2-NZ 2.99Å; D217-K225 WeakPolarHBondContact O-CA 3.46Å; F218-K225 HydrophobicContact CD1-CB 4.27Å; F218-K225 HydrophobicContact CE1-CB 3.61Å; F218-K225 HydrophobicContact CE2-CB 4.39Å; F218-K225 HydrophobicContact CZ-CB 3.68Å
226R93.6Very high94.3Very high82 Ų8247.3 Ų47.331%0.30925%0.249SC..EExtended strand (participates in β ladder)trans-115.4138.9164.1-63.4-178.1-62.1-171.8-1.5109.2D217 N532D217-R226 HydrophobicContact CB-CB 4.42Å; D217-R226 WeakPolarHBondContact CB-O 3.46Å; D217-R226 PolarHBondContact N-O 3.26Å; D217-R226 PolarHBondContact O-N 2.99Å; D217-R226 IonicContact OD2-CZ 2.66Å; D217-R226 IonicContact OD2-NE 2.68Å; D217-R226 PolarHBondContact OD2-NE 3.19Å; D217-R226 IonicContact OD2-NH2 2.67Å; D217-R226 PolarHBondContact OD2-NH2 3.48Å; R226-N532 PolarHBondContact NH1-O 2.91Å; R226-N532 PolarHBondContact NH1-OD1 3.14Å; R226-N532 PolarHBondContact NH2-OD1 3.39Å
227E96.5Very high94.3Very high91 Ų9146.5 Ų46.543%0.42524%0.244SC..EExtended strand (participates in β ladder)trans-81.8133.6173.4-166.7-17999.100110.3M214 A215 N535M214-E227 HydrophobicContact CB-CG 4.36Å; M214-E227 HydrophobicContact CE-CG 3.91Å; A215-E227 WeakPolarHBondContact O-CA 3.43Å; E227-N535 WeakPolarHBondContact O-CB 3.44Å
228V98.2Very high94.5Very high0 Ų046.5 Ų46.50%025%0.245CC..EExtended strand (participates in β ladder)trans-136.2148-179.4-57.40000112.1M214 A215 D217 M531 N535M214-V228 CarbonylContact C-O 3.56Å; M214-V228 VanDerWaalsContact CA-O 3.31Å; M214-V228 WeakPolarHBondContact CA-O 3.42Å; A215-V228 HydrophobicContact CB-CG2 4.18Å; A215-V228 PolarHBondContact N-O 3.38Å; A215-V228 PolarHBondContact O-N 3.29Å; D217-V228 HydrophobicContact CB-CG1 3.93Å; D217-V228 HydrophobicContact CB-CG2 4.18Å; V228-M531 HydrophobicContact CB-CE 4.48Å; V228-M531 HydrophobicContact CG1-CE 4.05Å; V228-M531 HydrophobicContact CG1-SD 4.45Å; V228-M531 HydrophobicContact CG2-CE 3.96Å; V228-N535 CarbonylContact C-O 3.41Å; V228-N535 VanDerWaalsContact CA-O 3.29Å; V228-N535 WeakPolarHBondContact CA-O 3.48Å; V228-N535 HydrophobicContact CG1-CB 4.14Å
229S98.6Very high94.7Very high11 Ų1144.8 Ų44.88%0.07724%0.237CC..EExtended strand (participates in β ladder)trans-84.9135.4171.358.60000110.9W231 N535 Y537S229-W231 PolarHBondContact OG-NE1 2.58Å; S229-N535 PolarHBondContact N-O 3.03Å; S229-N535 PolarHBondContact OG-O 2.66Å; S229-Y537 PolarHBondContact O-N 3.45Å
230V98.8Very high95.2Very high7 Ų746.3 Ų46.34%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-108.1108-172.4-175.70000112.9P213 A215 Y537 H561P213-V230 WeakPolarHBondContact O-CB 3.48Å; P213-V230 PolarHBondContact O-N 3.45Å; A215-V230 HydrophobicContact CB-CG2 3.51Å; V230-Y537 HydrophobicContact CG1-CD1 3.89Å; V230-Y537 HydrophobicContact CG2-CD1 4.21Å; V230-H561 PolarHBondContact O-CE1 3.42Å; V230-H561 PolarHBondContact O-NE2 3.11Å
231W98.8Very high95.8Very high1 Ų147 Ų470%0.00424%0.235CC..SBendtrans-104.7-2.1-173.5-64.982.1000114.5S229 L494 I536 Y537 V538 I555 A556 H561 M565 M566 F569S229-W231 PolarHBondContact OG-NE1 2.58Å; W231-L494 HydrophobicContact CE3-CD2 4.19Å; W231-L494 HydrophobicContact CZ3-CD2 3.85Å; W231-I536 HydrophobicContact CG-CG2 4.41Å; W231-Y537 PolarHBondContact N-O 3.27Å; W231-V538 HydrophobicContact CB-CB 4.41Å; W231-I555 HydrophobicContact CB-CG2 4.45Å; W231-I555 HydrophobicContact CE3-CG2 4.3Å; W231-A556 PolarHBondContact O-N 2.99Å; W231-H561 AromaticContact CD2-CD2 3.62Å; W231-H561 AromaticContact CD2-NE2 3.57Å; W231-H561 AromaticContact CE2-CD2 3.54Å; W231-H561 AromaticContact CE2-NE2 3.79Å; W231-H561 AromaticContact CE3-CD2 3.54Å; W231-H561 AromaticContact CE3-NE2 3.72Å; W231-H561 AromaticContact CG-NE2 4Å; W231-H561 HydrophobicContact CH2-CB 4.01Å; W231-H561 AromaticContact CH2-CD2 3.36Å; W231-H561 WeakPolarHBondContact CH2-CD2 3.49Å; W231-H561 AromaticContact CH2-CG 3.93Å; W231-H561 AromaticContact CZ2-CD2 3.45Å; W231-H561 VanDerWaalsContact CZ2-CD2 3.45Å; W231-H561 WeakPolarHBondContact CZ2-CD2 3.43Å; W231-H561 HydrophobicContact CZ3-CB 4.02Å; W231-H561 AromaticContact CZ3-CD2 3.39Å; W231-H561 WeakPolarHBondContact CZ3-CD2 3.37Å; W231-H561 AromaticContact CZ3-CG 3.76Å; W231-M565 HydrophobicContact CH2-CB 4.05Å; W231-M565 HydrophobicContact CZ2-CB 3.88Å; W231-M565 WeakPolarHBondContact CZ2-O 3.29Å; W231-M566 HydrophobicContact CH2-CB 4.39Å; W231-M566 HydrophobicContact CH2-CG 3.91Å; W231-M566 HydrophobicContact CZ3-CG 4.1Å; W231-F569 HydrophobicContact CB-CD2 4.33Å; W231-F569 HydrophobicContact CB-CE2 3.87Å; W231-F569 AromaticContact CD1-CD2 3.74Å; W231-F569 HydrophobicContact CD2-CB 4.45Å; W231-F569 AromaticContact CD2-CD2 3.43Å; W231-F569 HydrophobicContact CD2-CD2 3.43Å; W231-F569 VanDerWaalsContact CD2-CD2 3.43Å; W231-F569 AromaticContact CD2-CE2 3.87Å; W231-F569 HydrophobicContact CD2-CE2 3.87Å; W231-F569 HydrophobicContact CD2-CG 4.02Å; W231-F569 AromaticContact CE2-CD2 3.49Å; W231-F569 VanDerWaalsContact CE2-CD2 3.49Å; W231-F569 AromaticContact CE2-CG 3.97Å; W231-F569 HydrophobicContact CE3-CD2 4.01Å; W231-F569 HydrophobicContact CE3-CE2 4.38Å; W231-F569 HydrophobicContact CE3-CG 4.22Å; W231-F569 AromaticContact CG-CD2 3.57Å; W231-F569 HydrophobicContact CG-CD2 3.57Å; W231-F569 AromaticContact CG-CE2 3.63Å; W231-F569 HydrophobicContact CG-CE2 3.63Å; W231-F569 HydrophobicContact CH2-CB 3.89Å; W231-F569 HydrophobicContact CH2-CG 4.31Å; W231-F569 HydrophobicContact CZ2-CB 3.61Å; W231-F569 HydrophobicContact CZ2-CD2 4.09Å; W231-F569 HydrophobicContact CZ2-CG 4.09Å; W231-F569 HydrophobicContact CZ3-CB 4.41Å; W231-F569 HydrophobicContact CZ3-CG 4.37Å; W231-F569 AromaticContact NE1-CD2 3.66Å
232C98.4Very high96.4Very high21 Ų2146.5 Ų46.514%0.14223%0.23CC..SBendtrans-119.718.2179.863.60000113.5Q539C232-Q539 HydrophobicContact CB-CB 4.12Å; C232-Q539 PolarHBondContact SG-N 3.03Å; C232-Q539 VanDerWaalsContact SG-N 3.44Å
233S98.5Very high96.9Very high18 Ų1844 Ų4413%0.12622%0.222CC..  trans-72.9144.2173.5-178.80000110.9D235 A556S233-D235 PolarHBondContact OG-N 3.08Å; S233-D235 VanDerWaalsContact OG-N 3.12Å; S233-A556 WeakPolarHBondContact O-CB 3.44Å
234N98.6Very high97.4Very high51 Ų5141 Ų4127%0.27320%0.202SC..SBendtrans-95.75.7170-63.2-31.7000113.3Y236 K428 R554N234-Y236 HydrophobicContact CB-CE1 4.2Å; N234-Y236 HydrophobicContact CB-CE2 4.09Å; N234-Y236 WeakPolarHBondContact O-CD2 3.33Å; N234-Y236 WeakPolarHBondContact O-CE2 3.46Å; N234-Y236 PolarHBondContact O-N 3.13Å; N234-Y236 PolarHBondContact OD1-OH 3.02Å; N234-K428 HydrophobicContact CB-CB 4.34Å; N234-K428 HydrophobicContact CB-CD 4.16Å; N234-K428 HydrophobicContact CB-CG 3.81Å; N234-K428 CarbonylContact O-C 3.48Å; N234-K428 WeakPolarHBondContact O-CA 3.41Å; N234-K428 WeakPolarHBondContact O-CB 3.34Å; N234-R554 PolarHBondContact OD1-NH1 3.42Å
235D98.7Very high98Very high7 Ų735.6 Ų35.64%0.03717%0.174CC..  trans-77.566.9164.4-178.320.7000109.6R207 F212 S233 L237 G238 M239 S240R207-D235 IonicContact CZ-OD2 3.95Å; R207-D235 IonicContact NH1-OD2 3.84Å; R207-D235 IonicContact NH2-OD2 2.74Å; R207-D235 PolarHBondContact NH2-OD2 2.73Å; F212-D235 WeakPolarHBondContact CZ-O 3.3Å; S233-D235 PolarHBondContact OG-N 3.08Å; S233-D235 VanDerWaalsContact OG-N 3.12Å; D235-L237 PolarHBondContact O-N 3.03Å; D235-L237 VanDerWaalsContact O-N 3.13Å; D235-G238 PolarHBondContact O-N 2.86Å; D235-G238 VanDerWaalsContact O-N 3.12Å; D235-G238 WeakPolarHBondContact OD1-CA 3.41Å; D235-G238 PolarHBondContact OD1-N 2.7Å; D235-G238 WeakPolarHBondContact OD2-CA 3.37Å; D235-M239 PolarHBondContact OD1-N 3.23Å; D235-S240 PolarHBondContact OD1-N 3.4Å; D235-S240 VanDerWaalsContact OD2-CB 3.23Å; D235-S240 WeakPolarHBondContact OD2-CB 3.2Å; D235-S240 PolarHBondContact OD2-N 3.16Å; D235-S240 VanDerWaalsContact OD2-N 3.14Å; D235-S240 PolarHBondContact OD2-OG 3.17Å
236Y98.8Very high98.3Very high1 Ų132.4 Ų32.40%0.00416%0.164CC..THydrogen-bonded Turntrans-60.3-25.9-165.5-58.1-64.8000114.7N234 H397 L401 K428 A429 H511 R554 A556 T558 P559N234-Y236 HydrophobicContact CB-CE1 4.2Å; N234-Y236 HydrophobicContact CB-CE2 4.09Å; N234-Y236 WeakPolarHBondContact O-CD2 3.33Å; N234-Y236 WeakPolarHBondContact O-CE2 3.46Å; N234-Y236 PolarHBondContact O-N 3.13Å; N234-Y236 PolarHBondContact OD1-OH 3.02Å; Y236-H397 AromaticContact CZ-ND1 3.99Å; Y236-H397 PolarHBondContact OH-CE1 3.37Å; Y236-H397 PolarHBondContact OH-ND1 3.48Å; Y236-L401 HydrophobicContact CD2-CD1 3.62Å; Y236-L401 HydrophobicContact CD2-CD2 4.43Å; Y236-L401 HydrophobicContact CD2-CG 4.46Å; Y236-L401 HydrophobicContact CE2-CD1 4.09Å; Y236-L401 HydrophobicContact CG-CD1 4.07Å; Y236-K428 HydrophobicContact CD2-CB 4.21Å; Y236-K428 HydrophobicContact CE2-CB 3.89Å; Y236-K428 HydrophobicContact CE2-CD 4.29Å; Y236-K428 HydrophobicContact CE2-CG 4.44Å; Y236-A429 HydrophobicContact CD2-CB 4.47Å; Y236-H511 AromaticContact CD1-CD2 3.71Å; Y236-H511 AromaticContact CD1-NE2 3.81Å; Y236-H511 AromaticContact CE1-CD2 3.67Å; Y236-H511 AromaticContact CE1-NE2 3.4Å; Y236-H511 WeakPolarHBondContact CE1-NE2 3.3Å; Y236-H511 AromaticContact CE2-NE2 3.64Å; Y236-H511 AromaticContact CZ-NE2 3.29Å; Y236-H511 VanDerWaalsContact CZ-NE2 3.29Å; Y236-R554 PolarHBondContact OH-NH2 2.56Å; Y236-A556 HydrophobicContact CD1-CB 4.04Å; Y236-A556 HydrophobicContact CE1-CB 3.79Å; Y236-T558 WeakPolarHBondContact O-CA 3.3Å; Y236-T558 WeakPolarHBondContact O-CB 3.45Å; Y236-T558 VanDerWaalsContact O-CG2 3.28Å; Y236-T558 WeakPolarHBondContact O-CG2 3.21Å; Y236-P559 WeakPolarHBondContact O-CD 3.26Å
237L98.8Very high98.5Very high2 Ų234.7 Ų34.71%0.0118%0.176CC..THydrogen-bonded Turntrans-109.5-1.7-178.8-58.6-176.2000113D235 M239 L401 A429 L475 L483 H487 P559 H560D235-L237 PolarHBondContact O-N 3.03Å; D235-L237 VanDerWaalsContact O-N 3.13Å; L237-M239 VanDerWaalsContact C-N 3.34Å; L237-M239 HydrophobicContact CB-CG 4.02Å; L237-L401 HydrophobicContact CD1-CD2 3.88Å; L237-L401 HydrophobicContact CD2-CD2 3.82Å; L237-L401 HydrophobicContact CG-CD2 3.66Å; L237-A429 HydrophobicContact CD1-CB 4.5Å; L237-L475 HydrophobicContact CD1-CD1 3.77Å; L237-L475 HydrophobicContact CD1-CD2 3.6Å; L237-L475 HydrophobicContact CD1-CG 4.37Å; L237-L483 HydrophobicContact CD1-CB 4.44Å; L237-L483 HydrophobicContact CD2-CB 4.39Å; L237-H487 HydrophobicContact CD2-CB 3.9Å; L237-P559 HydrophobicContact CD2-CG 3.82Å; L237-H560 PolarHBondContact O-CD2 2.99Å; L237-H560 PolarHBondContact O-NE2 2.84Å
238G98.5Very high98.6Very high2 Ų231.5 Ų31.52%0.02116%0.164CC..  trans72.723.7-17500000113.8D235 S240 R241D235-G238 PolarHBondContact O-N 2.86Å; D235-G238 VanDerWaalsContact O-N 3.12Å; D235-G238 WeakPolarHBondContact OD1-CA 3.41Å; D235-G238 PolarHBondContact OD1-N 2.7Å; D235-G238 WeakPolarHBondContact OD2-CA 3.37Å; G238-S240 PolarHBondContact O-N 3.24Å; G238-R241 WeakPolarHBondContact O-CD 3.48Å; G238-R241 WeakPolarHBondContact O-CG 3.35Å; G238-R241 PolarHBondContact O-N 3.35Å
239M98.8Very high98.7Very high1 Ų133.2 Ų33.21%0.00517%0.173CC..G310 helixtrans-70.5-20.7-175.6-67.6-54.5-68.900112.7D235 L237 R241 H242 V245 A429 S471 T474 L475 L483D235-M239 PolarHBondContact OD1-N 3.23Å; L237-M239 VanDerWaalsContact C-N 3.34Å; L237-M239 HydrophobicContact CB-CG 4.02Å; M239-R241 PolarHBondContact O-N 2.59Å; M239-R241 VanDerWaalsContact O-N 3.09Å; M239-H242 HydrophobicContact CE-CB 3.85Å; M239-H242 WeakPolarHBondContact O-CB 3.5Å; M239-H242 PolarHBondContact O-N 3.04Å; M239-H242 VanDerWaalsContact O-N 3.1Å; M239-H242 HydrophobicContact SD-CB 4.04Å; M239-V245 HydrophobicContact CE-CG2 3.94Å; M239-A429 WeakPolarHBondContact CB-O 3.39Å; M239-A429 WeakPolarHBondContact CG-O 3.21Å; M239-S471 VanDerWaalsContact CE-OG 3.31Å; M239-S471 WeakPolarHBondContact CE-OG 3.34Å; M239-T474 HydrophobicContact CE-CG2 3.76Å; M239-L475 HydrophobicContact CE-CD2 4.29Å; M239-L475 HydrophobicContact CE-CG 4.38Å; M239-L475 HydrophobicContact CG-CD1 4.24Å; M239-L475 HydrophobicContact CG-CD2 4.19Å; M239-L475 HydrophobicContact CG-CG 4.39Å; M239-L475 HydrophobicContact SD-CD2 3.93Å; M239-L475 HydrophobicContact SD-CG 4.49Å; M239-L483 HydrophobicContact SD-CD1 4.15Å
240S98.7Very high98.7Very high43 Ų4338.3 Ų38.330%0.30120%0.197SC..G310 helixtrans-67-12.2177.492.50000113.2R207 D235 G238 G431R207-S240 PolarHBondContact NH1-OG 3.39Å; R207-S240 PolarHBondContact NH2-OG 2.92Å; D235-S240 PolarHBondContact OD1-N 3.4Å; D235-S240 VanDerWaalsContact OD2-CB 3.23Å; D235-S240 WeakPolarHBondContact OD2-CB 3.2Å; D235-S240 PolarHBondContact OD2-N 3.16Å; D235-S240 VanDerWaalsContact OD2-N 3.14Å; D235-S240 PolarHBondContact OD2-OG 3.17Å; G238-S240 PolarHBondContact O-N 3.24Å; S240-G431 VanDerWaalsContact CA-O 3.26Å; S240-G431 WeakPolarHBondContact CA-O 3.42Å; S240-G431 WeakPolarHBondContact CB-O 3.34Å
241R98.6Very high98.7Very high63 Ų6342.4 Ų42.424%0.23822%0.219CC..G310 helixtrans-119.27.3174.463.767.5170.6-1432113.8A209 F212 G238 M239 H560A209-R241 HydrophobicContact CB-CB 3.83Å; A209-R241 WeakPolarHBondContact O-CB 3.41Å; F212-R241 HydrophobicContact CB-CG 3.83Å; F212-R241 HydrophobicContact CD2-CG 4.41Å; F212-R241 HydrophobicContact CG-CG 4.19Å; G238-R241 WeakPolarHBondContact O-CD 3.48Å; G238-R241 WeakPolarHBondContact O-CG 3.35Å; G238-R241 PolarHBondContact O-N 3.35Å; M239-R241 PolarHBondContact O-N 2.59Å; M239-R241 VanDerWaalsContact O-N 3.09Å; R241-H560 PolarHBondContact NH2-CE1 2.69Å; R241-H560 PolarHBondContact NH2-ND1 3.34Å
242H98.8Very high98.7Very high24 Ų2442.9 Ų42.911%0.11122%0.222CC..  trans-64.1129.2-175.7-177.3-79.8000110.5M239 R244 V245 V246 E479M239-H242 HydrophobicContact CE-CB 3.85Å; M239-H242 WeakPolarHBondContact O-CB 3.5Å; M239-H242 PolarHBondContact O-N 3.04Å; M239-H242 VanDerWaalsContact O-N 3.1Å; M239-H242 HydrophobicContact SD-CB 4.04Å; H242-R244 VanDerWaalsContact C-N 3.29Å; H242-R244 WeakPolarHBondContact CE1-CB 3.19Å; H242-R244 WeakPolarHBondContact CE1-CD 3.45Å; H242-R244 WeakPolarHBondContact CE1-CG 3.31Å; H242-R244 PolarHBondContact CE1-NE 3.03Å; H242-R244 PolarHBondContact ND1-N 2.88Å; H242-R244 VanDerWaalsContact ND1-N 3.14Å; H242-R244 PolarHBondContact O-N 2.72Å; H242-R244 VanDerWaalsContact O-N 3.16Å; H242-V245 HydrophobicContact CB-CB 4.12Å; H242-V245 HydrophobicContact CB-CG2 3.9Å; H242-V245 WeakPolarHBondContact O-CB 3.27Å; H242-V245 PolarHBondContact O-N 2.7Å; H242-V246 PolarHBondContact O-N 2.75Å; H242-E479 IonicContact CD2-OE1 3.13Å; H242-E479 PolarHBondContact CD2-OE1 3.37Å; H242-E479 IonicContact CE1-OE2 3.76Å; H242-E479 CovalentContact NE2-OE1 1.75Å; H242-E479 IonicContact NE2-OE1 2.8Å; H242-E479 PolarHBondContact NE2-OE1 2.88Å; H242-E479 IonicContact NE2-OE2 2.69Å; H242-E479 PolarHBondContact NE2-OE2 2.95Å
243P98.4Very high98.7Very high88 Ų8845.6 Ų45.657%0.57123%0.234SC*.Hα-helixtrans-56-38.4-170.7-2935.6000114.5K247P243-K247 VanDerWaalsContact O-CB 3.25Å; P243-K247 WeakPolarHBondContact O-CB 3.39Å; P243-K247 PolarHBondContact O-N 3.21Å
244R98.7Very high98.7Very high116 Ų11652.9 Ų52.944%0.43827%0.266SS..Hα-helixtrans-69.7-38178.2-60.4-167.7-81.8157.7-3.5111.4H242 S248 Q470 T474 E479H242-R244 VanDerWaalsContact C-N 3.29Å; H242-R244 WeakPolarHBondContact CE1-CB 3.19Å; H242-R244 WeakPolarHBondContact CE1-CD 3.45Å; H242-R244 WeakPolarHBondContact CE1-CG 3.31Å; H242-R244 PolarHBondContact CE1-NE 3.03Å; H242-R244 PolarHBondContact ND1-N 2.88Å; H242-R244 VanDerWaalsContact ND1-N 3.14Å; H242-R244 PolarHBondContact O-N 2.72Å; H242-R244 VanDerWaalsContact O-N 3.16Å; R244-S248 WeakPolarHBondContact O-CB 3.34Å; R244-S248 PolarHBondContact O-N 3.5Å; R244-Q470 HydrophobicContact CB-CG 3.96Å; R244-T474 PolarHBondContact NH2-OG1 2.79Å; R244-E479 IonicContact CZ-OE2 3.58Å; R244-E479 IonicContact NE-OE2 3.34Å; R244-E479 IonicContact NH2-OE2 3.47Å; R244-E479 PolarHBondContact NH2-OE2 2.9Å
245V98.8Very high98.7Very high1 Ų158.3 Ų58.31%0.00629%0.287CS..Hα-helixtrans-65.4-51176.2176.90000110.9M239 H242 K247 S248 I249 Q470M239-V245 HydrophobicContact CE-CG2 3.94Å; H242-V245 HydrophobicContact CB-CB 4.12Å; H242-V245 HydrophobicContact CB-CG2 3.9Å; H242-V245 WeakPolarHBondContact O-CB 3.27Å; H242-V245 PolarHBondContact O-N 2.7Å; V245-K247 VanDerWaalsContact C-N 3.34Å; V245-K247 PolarHBondContact O-N 3.23Å; V245-S248 WeakPolarHBondContact O-CB 3.1Å; V245-S248 PolarHBondContact O-N 3.21Å; V245-I249 HydrophobicContact CG1-CD1 4Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 3.42Å; V245-Q470 HydrophobicContact CG2-CG 4.38Å
246V98.7Very high98.7Very high50 Ų5062.3 Ų62.330%0.30331%0.306SS..Hα-helixtrans-59.5-44.4178.7176.20000110.9H242 I249 M250H242-V246 PolarHBondContact O-N 2.75Å; V246-I249 PolarHBondContact O-N 3.25Å; V246-M250 HydrophobicContact CG1-CG 4.42Å; V246-M250 HydrophobicContact CG1-SD 3.94Å; V246-M250 WeakPolarHBondContact O-CG 3.49Å; V246-M250 PolarHBondContact O-N 3.02Å
247K98.7Very high98.7Very high130 Ų13063.8 Ų63.857%0.56532%0.321SS*.Hα-helixtrans-60-47.1175.6-176.6176.2178.1-177.80112.3P243 V245 I249 M250 D251P243-K247 VanDerWaalsContact O-CB 3.25Å; P243-K247 WeakPolarHBondContact O-CB 3.39Å; P243-K247 PolarHBondContact O-N 3.21Å; V245-K247 VanDerWaalsContact C-N 3.34Å; V245-K247 PolarHBondContact O-N 3.23Å; K247-I249 VanDerWaalsContact C-N 3.29Å; K247-I249 PolarHBondContact O-N 3.08Å; K247-M250 PolarHBondContact O-N 3.35Å; K247-M250 VanDerWaalsContact O-N 3.14Å; K247-D251 WeakPolarHBondContact CE-OD2 3.33Å; K247-D251 WeakPolarHBondContact CG-OD2 3.38Å; K247-D251 WeakPolarHBondContact O-CB 3.29Å; K247-D251 PolarHBondContact O-N 2.97Å
248S98.8Very high98.6Very high24 Ų2467 Ų6717%0.16834%0.344CS..Hα-helixtrans-57.6-40.4177.2-175.50000112.5R244 V245 T252 A466R244-S248 WeakPolarHBondContact O-CB 3.34Å; R244-S248 PolarHBondContact O-N 3.5Å; V245-S248 WeakPolarHBondContact O-CB 3.1Å; V245-S248 PolarHBondContact O-N 3.21Å; S248-T252 VanDerWaalsContact O-CB 3.27Å; S248-T252 WeakPolarHBondContact O-CB 3.28Å; S248-T252 PolarHBondContact O-N 3.24Å; S248-T252 VanDerWaalsContact O-N 3.16Å; S248-T252 PolarHBondContact O-OG1 2.82Å; S248-A466 PolarHBondContact OG-O 3.32Å
249I98.8Very high98.5Very high37 Ų3769.4 Ų69.419%0.1937%0.368CS..Hα-helixtrans-64-49.6174.2-64.4164.8000110.4V245 V246 K247 T252 L253 M463V245-I249 HydrophobicContact CG1-CD1 4Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 3.42Å; V246-I249 PolarHBondContact O-N 3.25Å; K247-I249 VanDerWaalsContact C-N 3.29Å; K247-I249 PolarHBondContact O-N 3.08Å; I249-T252 PolarHBondContact O-N 3.15Å; I249-L253 VanDerWaalsContact O-CB 3.26Å; I249-L253 WeakPolarHBondContact O-CB 3.28Å; I249-L253 PolarHBondContact O-N 3.36Å; I249-M463 WeakPolarHBondContact CG1-O 3.15Å; I249-M463 HydrophobicContact CG2-CB 4.18Å; I249-M463 HydrophobicContact CG2-CG 4.38Å; I249-M463 HydrophobicContact CG2-SD 4.49Å
250M98.8Very high98.5Very high118 Ų11870.2 Ų70.258%0.58138%0.375SS*.Hα-helixtrans-62.7-48.2-178.6-71.8177.166.800112.8V246 K247 T252 L253 Q254V246-M250 HydrophobicContact CG1-CG 4.42Å; V246-M250 HydrophobicContact CG1-SD 3.94Å; V246-M250 WeakPolarHBondContact O-CG 3.49Å; V246-M250 PolarHBondContact O-N 3.02Å; K247-M250 PolarHBondContact O-N 3.35Å; K247-M250 VanDerWaalsContact O-N 3.14Å; M250-T252 VanDerWaalsContact C-N 3.28Å; M250-T252 PolarHBondContact O-N 2.89Å; M250-L253 PolarHBondContact O-N 3.32Å; M250-Q254 WeakPolarHBondContact O-CB 3.24Å; M250-Q254 PolarHBondContact O-N 3.1Å
251D98.8Very high98.4Very high93 Ų9371.5 Ų71.550%0.49740%0.396SS..Hα-helixtrans-61.2-39.3179.3-69.5-15.9000110.8K247 K255K247-D251 WeakPolarHBondContact CE-OD2 3.33Å; K247-D251 WeakPolarHBondContact CG-OD2 3.38Å; K247-D251 WeakPolarHBondContact O-CB 3.29Å; K247-D251 PolarHBondContact O-N 2.97Å; D251-K255 WeakPolarHBondContact O-CB 3.3Å; D251-K255 PolarHBondContact O-N 3.1Å
252T98.8Very high98.4Very high11 Ų1169.1 Ų69.17%0.06739%0.39CS..Hα-helixtrans-73.5-41.7178-56.30000112.2S248 I249 M250 K255 H256 F272 P462 M463 A466S248-T252 VanDerWaalsContact O-CB 3.27Å; S248-T252 WeakPolarHBondContact O-CB 3.28Å; S248-T252 PolarHBondContact O-N 3.24Å; S248-T252 VanDerWaalsContact O-N 3.16Å; S248-T252 PolarHBondContact O-OG1 2.82Å; I249-T252 PolarHBondContact O-N 3.15Å; M250-T252 VanDerWaalsContact C-N 3.28Å; M250-T252 PolarHBondContact O-N 2.89Å; T252-K255 PolarHBondContact O-N 2.83Å; T252-H256 WeakPolarHBondContact O-CB 3.38Å; T252-H256 PolarHBondContact O-N 3.3Å; T252-F272 HydrophobicContact CG2-CD1 4.47Å; T252-F272 HydrophobicContact CG2-CD2 4.48Å; T252-F272 HydrophobicContact CG2-CE1 3.94Å; T252-F272 HydrophobicContact CG2-CE2 3.96Å; T252-F272 HydrophobicContact CG2-CZ 3.65Å; T252-P462 HydrophobicContact CG2-CB 4.36Å; T252-M463 HydrophobicContact CG2-CB 4.18Å; T252-A466 HydrophobicContact CG2-CB 4.02Å; T252-A466 WeakPolarHBondContact OG1-CB 3.14Å
253L98.7Very high98.4Very high77 Ų7769.5 Ų69.540%0.40340%0.395SS..Hα-helixtrans-58.9-47174.4168.758000111.3I249 M250 K255 G257 M463I249-L253 VanDerWaalsContact O-CB 3.26Å; I249-L253 WeakPolarHBondContact O-CB 3.28Å; I249-L253 PolarHBondContact O-N 3.36Å; M250-L253 PolarHBondContact O-N 3.32Å; L253-K255 PolarHBondContact O-N 3.37Å; L253-G257 VanDerWaalsContact O-CA 3.3Å; L253-G257 WeakPolarHBondContact O-CA 3.44Å; L253-G257 PolarHBondContact O-N 2.9Å; L253-M463 HydrophobicContact CB-CB 4.15Å; L253-M463 HydrophobicContact CB-SD 3.86Å; L253-M463 HydrophobicContact CD1-SD 3.77Å; L253-M463 HydrophobicContact CD2-SD 4.18Å; L253-M463 HydrophobicContact CG-SD 4.13Å
254Q98.6Very high98.4Very high172 Ų17266.9 Ų66.980%0.80437%0.374SS*.Hα-helixtrans-63.2-30-179.5-17656.460.200112.7M250M250-Q254 WeakPolarHBondContact O-CB 3.24Å; M250-Q254 PolarHBondContact O-N 3.1Å
255K98.5Very high98.3Very high164 Ų16468.5 Ų68.571%0.71339%0.391SS*.Hα-helixtrans-94.3-32.7-177-172.1174.1177.1172.90114.3D251 T252 L253D251-K255 WeakPolarHBondContact O-CB 3.3Å; D251-K255 PolarHBondContact O-N 3.1Å; T252-K255 PolarHBondContact O-N 2.83Å; L253-K255 PolarHBondContact O-N 3.37Å
256H98.5Very high98.3Very high91 Ų9173.8 Ų73.842%0.42142%0.418SS..Hα-helixtrans-125.6-1.3-169.1-63.1-67.6000114.3T252 F272T252-H256 WeakPolarHBondContact O-CB 3.38Å; T252-H256 PolarHBondContact O-N 3.3Å; H256-F272 AromaticContact CD2-CE2 3.61Å; H256-F272 AromaticContact CD2-CZ 3.72Å; H256-F272 AromaticContact NE2-CE2 3.81Å; H256-F272 AromaticContact NE2-CZ 3.86Å
257G98.1Very high98.2Very high32 Ų3276.2 Ų76.233%0.3344%0.437SS..  trans76.3-166.2-179.400000113.5L253L253-G257 VanDerWaalsContact O-CA 3.3Å; L253-G257 WeakPolarHBondContact O-CA 3.44Å; L253-G257 PolarHBondContact O-N 2.9Å
258S97.1Very high98.2Very high70 Ų7070.1 Ų70.149%0.4941%0.411SS..SBendtrans-89.1-76.6-173176.70000112.7P461S258-P461 VanDerWaalsContact O-CB 3.27Å; S258-P461 WeakPolarHBondContact O-CB 3.2Å
259G97.4Very high98.2Very high52 Ų5271.8 Ų71.854%0.53642%0.42SS..SBendtrans-78.1151.2-174.700000113.9G261G259-G261 PolarHBondContact O-N 3.39Å
260A97.9Very high98.2Very high18 Ų1871.6 Ų71.615%0.14942%0.422CS..  trans-67-17.1173.700000114G262 S459A260-G262 VanDerWaalsContact C-N 3.29Å; A260-G262 PolarHBondContact O-N 3Å; A260-S459 WeakPolarHBondContact CB-O 3.27Å
261G97.6Very high98.2Very high71 Ų7171.4 Ų71.473%0.73242%0.418SS*.  trans81-8.9174.300000116.2G259G259-G261 PolarHBondContact O-N 3.39Å
262G97.8Very high98.2Very high12 Ų1268 Ų6812%0.12440%0.399CS..SBendtrans-172-172.817800000114A260 I266 S459A260-G262 VanDerWaalsContact C-N 3.29Å; A260-G262 PolarHBondContact O-N 3Å; G262-I266 CarbonylContact C-O 3.57Å; G262-I266 WeakPolarHBondContact CA-O 3.19Å; G262-S459 PolarHBondContact O-N 3.14Å
263T98.5Very high98.2Very high33 Ų3367.5 Ų67.520%0.20240%0.396CS..BIsolated β-bridgetrans-76.7167.9175.673.40000110.7N265 I266 G268 T457T263-N265 PolarHBondContact O-N 3.24Å; T263-N265 VanDerWaalsContact O-N 3.12Å; T263-I266 PolarHBondContact N-O 3.4Å; T263-I266 CarbonylContact O-C 3.12Å; T263-I266 PolarHBondContact O-N 3.39Å; T263-I266 PolarHBondContact OG1-N 2.74Å; T263-G268 WeakPolarHBondContact O-CA 3.25Å; T263-G268 PolarHBondContact O-N 2.99Å; T263-T457 WeakPolarHBondContact CA-O 3.29Å; T263-T457 WeakPolarHBondContact CB-O 3.41Å; T263-T457 WeakPolarHBondContact CG2-O 3.47Å
264R98.4Very high98.2Very high33 Ų3366.9 Ų66.913%0.12540%0.395CS..Iπ-helixtrans-51.1-38.6178-73.4-69.4-60.7-97.29.3113.3T269 E277 F454 S459R264-T269 WeakPolarHBondContact CA-OG1 3.3Å; R264-T269 WeakPolarHBondContact CD-OG1 3.49Å; R264-T269 PolarHBondContact NE-OG1 3.26Å; R264-T269 WeakPolarHBondContact O-CB 3.49Å; R264-T269 PolarHBondContact O-N 3.39Å; R264-T269 PolarHBondContact O-OG1 2.96Å; R264-E277 IonicContact CZ-OE1 3.66Å; R264-E277 IonicContact CZ-OE2 3.87Å; R264-E277 IonicContact NH1-OE1 3.26Å; R264-E277 PolarHBondContact NH1-OE1 3.25Å; R264-E277 IonicContact NH1-OE2 2.7Å; R264-E277 IonicContact NH2-OE1 3.95Å; R264-E277 PolarHBondContact NH2-OE1 3.47Å; R264-E277 IonicContact NH2-OE2 2.64Å; R264-E277 PolarHBondContact NH2-OE2 3.45Å; R264-F454 HydrophobicContact CB-CE1 4.3Å; R264-F454 HydrophobicContact CB-CZ 4.08Å; R264-F454 HydrophobicContact CG-CE1 4.28Å; R264-F454 HydrophobicContact CG-CE2 3.97Å; R264-F454 HydrophobicContact CG-CZ 3.67Å; R264-S459 WeakPolarHBondContact CD-OG 3.37Å
265N97.9Very high98.2Very high149 Ų14960.6 Ų60.680%0.79737%0.366SS*.Iπ-helixtrans-81.6-27.2179.9-166.860000113.8T263T263-N265 PolarHBondContact O-N 3.24Å; T263-N265 VanDerWaalsContact O-N 3.12Å
266I97.4Very high98.2Very high112 Ų11252.8 Ų52.857%0.57433%0.332SS*.Iπ-helixtrans-113.388.6-174.4-53.2174.8000108.1G262 T263 G268G262-I266 CarbonylContact C-O 3.57Å; G262-I266 WeakPolarHBondContact CA-O 3.19Å; T263-I266 PolarHBondContact N-O 3.4Å; T263-I266 CarbonylContact O-C 3.12Å; T263-I266 PolarHBondContact O-N 3.39Å; T263-I266 PolarHBondContact OG1-N 2.74Å; I266-G268 PolarHBondContact O-N 3.32Å
267S97.2Very high98.3Very high102 Ų10249.6 Ų49.671%0.71332%0.317SS*.Iπ-helixtrans54.2-4.9179.859.70000118.4
268G98.4Very high98.3Very high1 Ų154 Ų541%0.0133%0.329CS..Iπ-helixtrans-82-11.9-177.300000115.9T263 I266 S270 H273 S459T263-G268 WeakPolarHBondContact O-CA 3.25Å; T263-G268 PolarHBondContact O-N 2.99Å; I266-G268 PolarHBondContact O-N 3.32Å; G268-S270 PolarHBondContact O-N 2.8Å; G268-H273 PolarHBondContact O-CE1 2.89Å; G268-H273 PolarHBondContact O-NE2 2.88Å; G268-S459 WeakPolarHBondContact O-CB 3.47Å
269T98.8Very high98.4Very high59 Ų5951.8 Ų51.836%0.36231%0.311SS..  trans-82.7113.5170.8-620000110.3R264 H273 V274R264-T269 WeakPolarHBondContact CA-OG1 3.3Å; R264-T269 WeakPolarHBondContact CD-OG1 3.49Å; R264-T269 PolarHBondContact NE-OG1 3.26Å; R264-T269 WeakPolarHBondContact O-CB 3.49Å; R264-T269 PolarHBondContact O-N 3.39Å; R264-T269 PolarHBondContact O-OG1 2.96Å; T269-H273 HydrophobicContact CG2-CB 4.35Å; T269-V274 HydrophobicContact CG2-CG2 4.2Å
270S98.8Very high98.5Very high33 Ų3349.3 Ų49.323%0.23129%0.285CS..  trans-108.5166.9171.873.40000111.4G268 F272 H273G268-S270 PolarHBondContact O-N 2.8Å; S270-F272 PolarHBondContact O-N 2.97Å; S270-H273 PolarHBondContact N-ND1 2.89Å; S270-H273 VanDerWaalsContact N-ND1 3.16Å; S270-H273 WeakPolarHBondContact O-CB 3.34Å; S270-H273 PolarHBondContact O-N 3.48Å; S270-H273 PolarHBondContact O-ND1 3.46Å; S270-H273 PolarHBondContact OG-CE1 2.81Å; S270-H273 PolarHBondContact OG-ND1 3.44Å
271K98.6Very high98.5Very high115 Ų11548.9 Ų48.950%0.528%0.282SS..Hα-helixtrans-52-33.7176.478.6-179.2-161.485.70113.2H273 V274 E275K271-H273 PolarHBondContact O-N 3.4Å; K271-V274 PolarHBondContact O-N 3.39Å; K271-E275 WeakPolarHBondContact CD-OE1 3.2Å; K271-E275 WeakPolarHBondContact CG-OE1 3.34Å; K271-E275 IonicContact NZ-OE1 2.63Å; K271-E275 PolarHBondContact NZ-OE1 2.75Å; K271-E275 IonicContact NZ-OE2 3.29Å; K271-E275 PolarHBondContact NZ-OE2 3.04Å; K271-E275 VanDerWaalsContact O-CB 3.31Å; K271-E275 WeakPolarHBondContact O-CB 3.25Å; K271-E275 VanDerWaalsContact O-CG 3.24Å; K271-E275 WeakPolarHBondContact O-CG 3.17Å; K271-E275 PolarHBondContact O-N 2.84Å
272F98.8Very high98.5Very high21 Ų2149.5 Ų49.59%0.09227%0.268CS..Hα-helixtrans-67.5-21.4-179.9-55.7-84.5000113.4T252 H256 S270 L276 P462 L465 A466T252-F272 HydrophobicContact CG2-CD1 4.47Å; T252-F272 HydrophobicContact CG2-CD2 4.48Å; T252-F272 HydrophobicContact CG2-CE1 3.94Å; T252-F272 HydrophobicContact CG2-CE2 3.96Å; T252-F272 HydrophobicContact CG2-CZ 3.65Å; H256-F272 AromaticContact CD2-CE2 3.61Å; H256-F272 AromaticContact CD2-CZ 3.72Å; H256-F272 AromaticContact NE2-CE2 3.81Å; H256-F272 AromaticContact NE2-CZ 3.86Å; S270-F272 PolarHBondContact O-N 2.97Å; F272-L276 VanDerWaalsContact O-CB 3.23Å; F272-L276 WeakPolarHBondContact O-CB 3.47Å; F272-L276 PolarHBondContact O-N 3.41Å; F272-P462 HydrophobicContact CD2-CB 3.84Å; F272-P462 HydrophobicContact CE2-CB 4.39Å; F272-P462 HydrophobicContact CG-CB 4.42Å; F272-L465 HydrophobicContact CB-CB 4.05Å; F272-A466 HydrophobicContact CD1-CB 3.73Å; F272-A466 HydrophobicContact CE1-CB 3.93Å
273H98.9Very high98.6Very high1 Ų149 Ų491%0.00526%0.263CS..Hα-helixtrans-73.1-54170.3-63.471.9000109.9G268 T269 S270 K271 E275 L276 E277 L291 S459 L460 L465G268-H273 PolarHBondContact O-CE1 2.89Å; G268-H273 PolarHBondContact O-NE2 2.88Å; T269-H273 HydrophobicContact CG2-CB 4.35Å; S270-H273 PolarHBondContact N-ND1 2.89Å; S270-H273 VanDerWaalsContact N-ND1 3.16Å; S270-H273 WeakPolarHBondContact O-CB 3.34Å; S270-H273 PolarHBondContact O-N 3.48Å; S270-H273 PolarHBondContact O-ND1 3.46Å; S270-H273 PolarHBondContact OG-CE1 2.81Å; S270-H273 PolarHBondContact OG-ND1 3.44Å; K271-H273 PolarHBondContact O-N 3.4Å; H273-E275 PolarHBondContact O-N 2.87Å; H273-L276 PolarHBondContact O-N 2.96Å; H273-E277 WeakPolarHBondContact O-CB 3.42Å; H273-E277 WeakPolarHBondContact O-CG 3.26Å; H273-E277 PolarHBondContact O-N 3.4Å; H273-L291 HydrophobicContact CB-CD1 4.39Å; H273-S459 PolarHBondContact CD2-OG 2.69Å; H273-S459 VanDerWaalsContact CD2-OG 3.26Å; H273-S459 PolarHBondContact NE2-OG 2.97Å; H273-L460 PolarHBondContact CE1-O 3.3Å; H273-L460 PolarHBondContact NE2-O 2.86Å; H273-L465 HydrophobicContact CB-CD1 4.22Å; H273-L465 VanDerWaalsContact CD2-CD1 3.42Å; H273-L465 WeakPolarHBondContact CD2-CD1 3.3Å; H273-L465 VanDerWaalsContact CE1-CD1 3.46Å; H273-L465 WeakPolarHBondContact CE1-CD1 3.27Å; H273-L465 VanDerWaalsContact CG-CD1 3.46Å; H273-L465 WeakPolarHBondContact ND1-CD1 3.35Å; H273-L465 WeakPolarHBondContact NE2-CD1 3.36Å
274V98.9Very high98.6Very high63 Ų6347.4 Ų47.438%0.38225%0.253SS..Hα-helixtrans-60.7-47.5-178.1-1780000111.2T269 K271 L276 E277 Q278T269-V274 HydrophobicContact CG2-CG2 4.2Å; K271-V274 PolarHBondContact O-N 3.39Å; V274-L276 VanDerWaalsContact C-N 3.28Å; V274-L276 PolarHBondContact O-N 2.82Å; V274-E277 PolarHBondContact O-N 3.37Å; V274-Q278 WeakPolarHBondContact O-CB 3.47Å; V274-Q278 VanDerWaalsContact O-CG 3.29Å; V274-Q278 WeakPolarHBondContact O-CG 2.92Å; V274-Q278 PolarHBondContact O-N 3Å
275E98.9Very high98.6Very high41 Ų4150 Ų5019%0.19228%0.276CS..Hα-helixtrans-60.5-35.4177.6-74170.6-165.500112.6K271 H273 E279 R469K271-E275 WeakPolarHBondContact CD-OE1 3.2Å; K271-E275 WeakPolarHBondContact CG-OE1 3.34Å; K271-E275 IonicContact NZ-OE1 2.63Å; K271-E275 PolarHBondContact NZ-OE1 2.75Å; K271-E275 IonicContact NZ-OE2 3.29Å; K271-E275 PolarHBondContact NZ-OE2 3.04Å; K271-E275 VanDerWaalsContact O-CB 3.31Å; K271-E275 WeakPolarHBondContact O-CB 3.25Å; K271-E275 VanDerWaalsContact O-CG 3.24Å; K271-E275 WeakPolarHBondContact O-CG 3.17Å; K271-E275 PolarHBondContact O-N 2.84Å; H273-E275 PolarHBondContact O-N 2.87Å; E275-E279 WeakPolarHBondContact O-CB 3.28Å; E275-E279 PolarHBondContact O-N 3.43Å; E275-R469 VanDerWaalsContact CD-NH1 3.31Å; E275-R469 IonicContact OE2-CZ 2.73Å; E275-R469 IonicContact OE2-NH1 3.49Å; E275-R469 PolarHBondContact OE2-NH1 2.94Å
276L98.9Very high98.6Very high0 Ų044.4 Ų44.40%025%0.245CC..Hα-helixtrans-80.8-36.9178.8177.660.4000112.1F272 H273 V274 Q278 E279 L280 L291 L426 L465 A468 R469 I472F272-L276 VanDerWaalsContact O-CB 3.23Å; F272-L276 WeakPolarHBondContact O-CB 3.47Å; F272-L276 PolarHBondContact O-N 3.41Å; H273-L276 PolarHBondContact O-N 2.96Å; V274-L276 VanDerWaalsContact C-N 3.28Å; V274-L276 PolarHBondContact O-N 2.82Å; L276-Q278 VanDerWaalsContact C-N 3.29Å; L276-Q278 PolarHBondContact O-N 3.1Å; L276-E279 PolarHBondContact O-N 3.26Å; L276-L280 HydrophobicContact CD1-CD1 4.14Å; L276-L280 HydrophobicContact CD1-CG 4.08Å; L276-L280 HydrophobicContact CG-CD1 3.99Å; L276-L280 HydrophobicContact CG-CG 4.4Å; L276-L280 WeakPolarHBondContact O-CB 3.44Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 2.91Å; L276-L291 HydrophobicContact CB-CD1 4.23Å; L276-L291 HydrophobicContact CD2-CD1 3.91Å; L276-L291 HydrophobicContact CD2-CD2 3.81Å; L276-L291 HydrophobicContact CD2-CG 4.5Å; L276-L291 HydrophobicContact CG-CD1 4.16Å; L276-L291 HydrophobicContact CG-CD2 4.18Å; L276-L426 HydrophobicContact CD2-CD1 3.9Å; L276-L465 HydrophobicContact CD2-CB 3.97Å; L276-L465 HydrophobicContact CD2-CD2 3.83Å; L276-L465 HydrophobicContact CD2-CG 4.42Å; L276-A468 HydrophobicContact CD2-CB 4.07Å; L276-R469 HydrophobicContact CD1-CB 4.06Å; L276-I472 HydrophobicContact CD1-CD1 3.49Å; L276-I472 VanDerWaalsContact CD1-CD1 3.49Å
277E98.9Very high98.7Very high23 Ų2344.2 Ų44.211%0.10725%0.245CC..Hα-helixtrans-61.7-39.2172.5-74.6172.7155.400110.9R264 H273 V274 A281 A289 L291R264-E277 IonicContact CZ-OE1 3.66Å; R264-E277 IonicContact CZ-OE2 3.87Å; R264-E277 IonicContact NH1-OE1 3.26Å; R264-E277 PolarHBondContact NH1-OE1 3.25Å; R264-E277 IonicContact NH1-OE2 2.7Å; R264-E277 IonicContact NH2-OE1 3.95Å; R264-E277 PolarHBondContact NH2-OE1 3.47Å; R264-E277 IonicContact NH2-OE2 2.64Å; R264-E277 PolarHBondContact NH2-OE2 3.45Å; H273-E277 WeakPolarHBondContact O-CB 3.42Å; H273-E277 WeakPolarHBondContact O-CG 3.26Å; H273-E277 PolarHBondContact O-N 3.4Å; V274-E277 PolarHBondContact O-N 3.37Å; E277-A281 WeakPolarHBondContact O-CB 3.31Å; E277-A281 PolarHBondContact O-N 3.36Å; E277-A289 WeakPolarHBondContact O-CB 3.49Å; E277-L291 HydrophobicContact CG-CB 4.38Å; E277-L291 HydrophobicContact CG-CD1 3.77Å; E277-L291 HydrophobicContact CG-CG 3.7Å; E277-L291 PolarHBondContact OE1-N 3.47Å
278Q98.9Very high98.8Very high125 Ų12540.4 Ų40.458%0.58422%0.22SC*.Hα-helixtrans-65.9-44.4171.2-71.2170.2-16.100112.9V274 L276 L280 A281 D282V274-Q278 WeakPolarHBondContact O-CB 3.47Å; V274-Q278 VanDerWaalsContact O-CG 3.29Å; V274-Q278 WeakPolarHBondContact O-CG 2.92Å; V274-Q278 PolarHBondContact O-N 3Å; L276-Q278 VanDerWaalsContact C-N 3.29Å; L276-Q278 PolarHBondContact O-N 3.1Å; Q278-L280 VanDerWaalsContact C-N 3.28Å; Q278-L280 PolarHBondContact O-N 2.83Å; Q278-A281 PolarHBondContact O-N 2.97Å; Q278-D282 PolarHBondContact O-N 3.22Å
279E98.9Very high98.8Very high23 Ų2340.8 Ų40.811%0.10722%0.222CC..Hα-helixtrans-62.6-34.7178.1-169.178.9-133.500112.4E275 L276 L283 R469 I472 Q473 K476E275-E279 WeakPolarHBondContact O-CB 3.28Å; E275-E279 PolarHBondContact O-N 3.43Å; L276-E279 PolarHBondContact O-N 3.26Å; E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 PolarHBondContact O-N 3.12Å; E279-R469 HydrophobicContact CB-CG 4.32Å; E279-R469 HydrophobicContact CG-CG 4.12Å; E279-R469 IonicContact OE2-CZ 3.12Å; E279-R469 IonicContact OE2-NE 2.73Å; E279-R469 PolarHBondContact OE2-NE 2.96Å; E279-R469 IonicContact OE2-NH2 2.91Å; E279-I472 HydrophobicContact CG-CB 4.37Å; E279-I472 HydrophobicContact CG-CG2 3.77Å; E279-Q473 HydrophobicContact CG-CG 4.42Å; E279-Q473 WeakPolarHBondContact OE1-CG 3.42Å; E279-Q473 PolarHBondContact OE2-NE2 2.98Å; E279-K476 IonicContact OE1-NZ 3.26Å; E279-K476 PolarHBondContact OE1-NZ 2.84Å
280L98.9Very high98.8Very high0 Ų038.1 Ų38.10%021%0.206CC..Hα-helixtrans-74.8-39.8176.1-72.7168.6000112.3L276 Q278 L283 H284 A289 L291 L426 Y436 I472L276-L280 HydrophobicContact CD1-CD1 4.14Å; L276-L280 HydrophobicContact CD1-CG 4.08Å; L276-L280 HydrophobicContact CG-CD1 3.99Å; L276-L280 HydrophobicContact CG-CG 4.4Å; L276-L280 WeakPolarHBondContact O-CB 3.44Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 2.91Å; Q278-L280 VanDerWaalsContact C-N 3.28Å; Q278-L280 PolarHBondContact O-N 2.83Å; L280-L283 HydrophobicContact CD2-CD2 4.41Å; L280-L283 PolarHBondContact O-N 2.85Å; L280-H284 PolarHBondContact O-CD2 3.42Å; L280-H284 VanDerWaalsContact O-CD2 3.3Å; L280-H284 PolarHBondContact O-N 2.92Å; L280-H284 VanDerWaalsContact O-N 3.09Å; L280-A289 HydrophobicContact CB-CB 3.72Å; L280-L291 HydrophobicContact CD1-CD2 3.87Å; L280-L426 HydrophobicContact CD2-CD2 4.4Å; L280-Y436 HydrophobicContact CD1-CD1 3.75Å; L280-Y436 HydrophobicContact CD1-CD2 4.27Å; L280-Y436 HydrophobicContact CD1-CE1 4.33Å; L280-Y436 HydrophobicContact CD1-CG 3.71Å; L280-Y436 HydrophobicContact CD2-CD1 3.81Å; L280-Y436 HydrophobicContact CD2-CD2 4.24Å; L280-Y436 HydrophobicContact CD2-CE1 3.5Å; L280-Y436 VanDerWaalsContact CD2-CE1 3.5Å; L280-Y436 HydrophobicContact CD2-CE2 3.98Å; L280-Y436 HydrophobicContact CD2-CG 4.16Å; L280-Y436 HydrophobicContact CG-CD1 4.42Å; L280-Y436 HydrophobicContact CG-CG 4.46Å; L280-I472 HydrophobicContact CD2-CD1 3.67Å; L280-I472 HydrophobicContact CG-CD1 4.24Å
281A98.9Very high98.8Very high10 Ų1037 Ų378%0.08320%0.197CC..Hα-helixtrans-59.7-46172.300000111.4E277 Q278 H284 S285 K286 A289E277-A281 WeakPolarHBondContact O-CB 3.31Å; E277-A281 PolarHBondContact O-N 3.36Å; Q278-A281 PolarHBondContact O-N 2.97Å; A281-H284 CarbonylContact O-C 3.36Å; A281-H284 PolarHBondContact O-N 3.15Å; A281-S285 PolarHBondContact O-N 2.9Å; A281-K286 WeakPolarHBondContact CB-O 3.41Å; A281-K286 PolarHBondContact O-N 3.43Å; A281-A289 HydrophobicContact CB-CB 4.4Å
282D98.8Very high98.8Very high83 Ų8331.8 Ų31.844%0.44418%0.175SC..Hα-helixtrans-66.9-38.2173.7172.962.9000112.8Q278 H284 S285 R405 K476Q278-D282 PolarHBondContact O-N 3.22Å; D282-H284 PolarHBondContact O-N 3.2Å; D282-S285 PolarHBondContact O-N 2.92Å; D282-R405 PolarHBondContact O-NH2 3.36Å; D282-R405 IonicContact OD1-NH2 2.71Å; D282-R405 PolarHBondContact OD1-NH2 3.29Å; D282-R405 VanDerWaalsContact OD1-NH2 3.13Å; D282-R405 IonicContact OD2-CZ 3.73Å; D282-R405 IonicContact OD2-NH2 3.96Å; D282-R405 PolarHBondContact OD2-NH2 3.25Å; D282-K476 IonicContact OD2-NZ 3.91Å; D282-K476 PolarHBondContact OD2-NZ 3.23Å
283L98.8Very high98.8Very high1 Ų132.9 Ų32.91%0.00518%0.183CC..Hα-helixtrans-56.4-39.7174.2176.264.1000111.2E279 L280 R405 M416 F430 I472 K476E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 PolarHBondContact O-N 3.12Å; L280-L283 HydrophobicContact CD2-CD2 4.41Å; L280-L283 PolarHBondContact O-N 2.85Å; L283-R405 HydrophobicContact CD1-CB 4.42Å; L283-M416 WeakPolarHBondContact O-CE 3.49Å; L283-F430 HydrophobicContact CD2-CZ 3.92Å; L283-I472 HydrophobicContact CD2-CG2 4.21Å; L283-K476 HydrophobicContact CD1-CD 4.02Å; L283-K476 HydrophobicContact CD1-CG 3.83Å
284H98.8Very high98.8Very high0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-98-2-173.3-75.4-64.9000115.6L280 A281 D282 K286 G407 I422 Y436 A438L280-H284 PolarHBondContact O-CD2 3.42Å; L280-H284 VanDerWaalsContact O-CD2 3.3Å; L280-H284 PolarHBondContact O-N 2.92Å; L280-H284 VanDerWaalsContact O-N 3.09Å; A281-H284 CarbonylContact O-C 3.36Å; A281-H284 PolarHBondContact O-N 3.15Å; D282-H284 PolarHBondContact O-N 3.2Å; H284-K286 VanDerWaalsContact C-N 3.3Å; H284-K286 HydrophobicContact CB-CG 3.96Å; H284-K286 PolarHBondContact O-N 3.1Å; H284-G407 PolarHBondContact CE1-O 3.29Å; H284-I422 HydrophobicContact CB-CD1 4.16Å; H284-Y436 AromaticContact CD2-CE2 3.67Å; H284-Y436 AromaticContact NE2-CE2 3.37Å; H284-Y436 WeakPolarHBondContact NE2-CE2 3.31Å; H284-Y436 AromaticContact NE2-CZ 3.56Å; H284-Y436 PolarHBondContact NE2-OH 2.93Å; H284-A438 HydrophobicContact CB-CB 3.89Å
285S98.1Very high98.8Very high87 Ų8732 Ų3261%0.60818%0.18SC*.THydrogen-bonded Turntrans51.348.2-172.1-57.40000112.4A281 D282A281-S285 PolarHBondContact O-N 2.9Å; D282-S285 PolarHBondContact O-N 2.92Å
286K98.8Very high98.8Very high32 Ų3233.7 Ų33.714%0.13919%0.187CC..  trans-121.1156.7177.9-59.7-63164.1-179.60110.8A281 H284 A288 M416 M419 A438A281-K286 WeakPolarHBondContact CB-O 3.41Å; A281-K286 PolarHBondContact O-N 3.43Å; H284-K286 VanDerWaalsContact C-N 3.3Å; H284-K286 HydrophobicContact CB-CG 3.96Å; H284-K286 PolarHBondContact O-N 3.1Å; K286-A288 VanDerWaalsContact C-N 3.26Å; K286-A288 PolarHBondContact O-N 3.02Å; K286-M416 WeakPolarHBondContact CE-O 3.46Å; K286-M416 PolarHBondContact NZ-O 3.09Å; K286-M419 WeakPolarHBondContact CE-O 3.27Å; K286-M419 PolarHBondContact NZ-O 2.97Å; K286-A438 HydrophobicContact CB-CB 4.2Å; K286-A438 HydrophobicContact CG-CB 4.05Å
287D98.8Very high98.8Very high109 Ų10935.3 Ų35.358%0.58320%0.197SC*.SBendtrans-57.3-39.6179-53-2000112.8T440 S441D287-T440 WeakPolarHBondContact OD2-CA 3.48Å; D287-S441 PolarHBondContact OD2-N 2.95Å; D287-S441 PolarHBondContact OD2-OG 3.29Å; D287-S441 VanDerWaalsContact OD2-OG 3.06Å
288A98.9Very high98.8Very high22 Ų2234.2 Ų34.218%0.18219%0.192CC..EExtended strand (participates in β ladder)trans-152.8159.9-171.700000112.1K286 A438 S439 V444K286-A288 VanDerWaalsContact C-N 3.26Å; K286-A288 PolarHBondContact O-N 3.02Å; A288-A438 WeakPolarHBondContact O-CA 3.01Å; A288-S439 PolarHBondContact N-O 3.39Å; A288-S439 PolarHBondContact O-N 3.33Å; A288-S439 VanDerWaalsContact O-N 3.08Å; A288-V444 HydrophobicContact CB-CB 3.87Å; A288-V444 HydrophobicContact CB-CG1 3.78Å; A288-V444 HydrophobicContact CB-CG2 3.99Å
289A98.9Very high98.8Very high8 Ų828.3 Ų28.37%0.06616%0.164CC..EExtended strand (participates in β ladder)trans-137160.5168.400000110.9E277 L280 A281 I437 A438E277-A289 WeakPolarHBondContact O-CB 3.49Å; L280-A289 HydrophobicContact CB-CB 3.72Å; A281-A289 HydrophobicContact CB-CB 4.4Å; A289-I437 CarbonylContact C-O 3.56Å; A289-I437 WeakPolarHBondContact CA-O 3.31Å; A289-I437 VanDerWaalsContact CB-O 3.27Å; A289-I437 WeakPolarHBondContact CB-O 3.31Å; A289-A438 HydrophobicContact CB-CB 4.01Å
290L98.9Very high98.8Very high3 Ų328.6 Ų28.62%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-136.7125.5-175.7-16867.4000111.6F292 Y436 I437 V444 V447 R448 F454L290-F292 HydrophobicContact CB-CE2 4.27Å; L290-F292 HydrophobicContact CD2-CE2 3.94Å; L290-F292 HydrophobicContact CD2-CZ 3.9Å; L290-F292 HydrophobicContact CG-CE2 4.14Å; L290-F292 WeakPolarHBondContact O-CD2 3.12Å; L290-Y436 WeakPolarHBondContact O-CA 3.43Å; L290-Y436 VanDerWaalsContact O-CB 3.3Å; L290-Y436 WeakPolarHBondContact O-CB 3.39Å; L290-I437 HydrophobicContact CB-CG1 4.05Å; L290-I437 PolarHBondContact N-O 2.57Å; L290-I437 PolarHBondContact O-N 2.82Å; L290-I437 VanDerWaalsContact O-N 3.16Å; L290-V444 HydrophobicContact CB-CG1 4.03Å; L290-V447 HydrophobicContact CD2-CB 4.23Å; L290-V447 HydrophobicContact CD2-CG1 3.91Å; L290-R448 HydrophobicContact CD1-CB 3.86Å; L290-R448 HydrophobicContact CD1-CG 3.86Å; L290-R448 HydrophobicContact CD2-CB 3.95Å; L290-F454 HydrophobicContact CD1-CD2 4.21Å; L290-F454 HydrophobicContact CD1-CE1 4.4Å; L290-F454 HydrophobicContact CD1-CE2 3.46Å; L290-F454 VanDerWaalsContact CD1-CE2 3.46Å; L290-F454 HydrophobicContact CD1-CZ 3.58Å; L290-F454 HydrophobicContact CD2-CD2 4.05Å; L290-F454 HydrophobicContact CD2-CE2 4.14Å; L290-F454 HydrophobicContact CD2-CG 4.4Å; L290-F454 HydrophobicContact CG-CD2 3.99Å; L290-F454 HydrophobicContact CG-CE2 3.69Å; L290-F454 HydrophobicContact CG-CZ 4.27Å
291L98.9Very high98.8Very high9 Ų929 Ų295%0.04717%0.169CC..EExtended strand (participates in β ladder)trans-84.2137.4-179.4-72.4165.7000113.6H273 L276 E277 L280 L426 F454 L465H273-L291 HydrophobicContact CB-CD1 4.39Å; L276-L291 HydrophobicContact CB-CD1 4.23Å; L276-L291 HydrophobicContact CD2-CD1 3.91Å; L276-L291 HydrophobicContact CD2-CD2 3.81Å; L276-L291 HydrophobicContact CD2-CG 4.5Å; L276-L291 HydrophobicContact CG-CD1 4.16Å; L276-L291 HydrophobicContact CG-CD2 4.18Å; E277-L291 HydrophobicContact CG-CB 4.38Å; E277-L291 HydrophobicContact CG-CD1 3.77Å; E277-L291 HydrophobicContact CG-CG 3.7Å; E277-L291 PolarHBondContact OE1-N 3.47Å; L280-L291 HydrophobicContact CD1-CD2 3.87Å; L291-L426 HydrophobicContact CD2-CD1 3.91Å; L291-F454 WeakPolarHBondContact O-CD2 3.35Å; L291-F454 VanDerWaalsContact O-CE2 3.31Å; L291-F454 WeakPolarHBondContact O-CE2 3.48Å; L291-L465 HydrophobicContact CD1-CD1 4.24Å; L291-L465 HydrophobicContact CD1-CD2 4.32Å
292F98.9Very high98.8Very high6 Ų628.6 Ų28.63%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-126.7161.2172.9-65-99000111L290 S294 V297 A298 G435 I437 V447 F454 L460L290-F292 HydrophobicContact CB-CE2 4.27Å; L290-F292 HydrophobicContact CD2-CE2 3.94Å; L290-F292 HydrophobicContact CD2-CZ 3.9Å; L290-F292 HydrophobicContact CG-CE2 4.14Å; L290-F292 WeakPolarHBondContact O-CD2 3.12Å; F292-S294 PolarHBondContact O-N 3.5Å; F292-V297 HydrophobicContact CD1-CG1 4.04Å; F292-A298 HydrophobicContact CB-CB 4.01Å; F292-A298 HydrophobicContact CD2-CB 3.55Å; F292-A298 HydrophobicContact CE2-CB 4.07Å; F292-A298 HydrophobicContact CG-CB 3.81Å; F292-G435 PolarHBondContact N-O 2.94Å; F292-G435 PolarHBondContact O-N 2.95Å; F292-I437 HydrophobicContact CE2-CG1 4.27Å; F292-I437 HydrophobicContact CE2-CG2 4.38Å; F292-V447 HydrophobicContact CZ-CG1 3.78Å; F292-F454 HydrophobicContact CD1-CB 4.14Å; F292-F454 HydrophobicContact CD1-CD2 4.42Å; F292-F454 HydrophobicContact CE1-CB 3.72Å; F292-F454 HydrophobicContact CE1-CD2 4.37Å; F292-F454 HydrophobicContact CE1-CG 4.49Å; F292-F454 HydrophobicContact CZ-CB 4.44Å; F292-L460 WeakPolarHBondContact O-CD1 3.31Å
293T98.5Very high98.8Very high44 Ų4424.6 Ų24.627%0.2714%0.144SC..SBendtrans-60.5-26.7-18056.10000114G434 T457T293-G434 WeakPolarHBondContact O-CA 3.48Å; T293-T457 HydrophobicContact CG2-CG2 3.98Å
294S98.7Very high98.8Very high37 Ų3728.1 Ų28.126%0.25916%0.16SC..  trans-159.5164.7171.1650000110.1F292 F296 V297 A298F292-S294 PolarHBondContact O-N 3.5Å; S294-F296 PolarHBondContact O-N 2.85Å; S294-F296 PolarHBondContact OG-N 3.32Å; S294-V297 PolarHBondContact O-N 2.73Å; S294-V297 VanDerWaalsContact O-N 3.16Å; S294-V297 PolarHBondContact OG-N 2.96Å; S294-A298 PolarHBondContact O-N 2.72Å
295C98.7Very high98.8Very high9 Ų928.4 Ų28.46%0.06116%0.162CC..Hα-helixtrans-71.1-19.1173.6-1520000112.5V297 A298 N299 V396 G424C295-V297 VanDerWaalsContact C-N 3.32Å; C295-V297 PolarHBondContact O-N 2.94Å; C295-A298 PolarHBondContact O-N 3.18Å; C295-N299 WeakPolarHBondContact O-CB 3.45Å; C295-N299 PolarHBondContact O-N 3.39Å; C295-N299 PolarHBondContact O-OD1 3.28Å; C295-N299 PolarHBondContact SG-OD1 3.05Å; C295-V396 HydrophobicContact CB-CG2 3.64Å; C295-V396 WeakPolarHBondContact SG-CG2 3.46Å; C295-G424 VanDerWaalsContact SG-C 3.52Å; C295-G424 PolarHBondContact SG-O 2.95Å
296F98.6Very high98.8Very high77 Ų7724.9 Ų24.934%0.33814%0.136SC..Hα-helixtrans-58-49.8167.6-172.8-71.5000110.1S294 D300 S324S294-F296 PolarHBondContact O-N 2.85Å; S294-F296 PolarHBondContact OG-N 3.32Å; F296-D300 HydrophobicContact CE1-CB 4.42Å; F296-D300 VanDerWaalsContact O-CB 3.27Å; F296-D300 WeakPolarHBondContact O-CB 3.36Å; F296-D300 PolarHBondContact O-N 2.91Å; F296-S324 WeakPolarHBondContact O-CB 3.34Å
297V98.8Very high98.8Very high34 Ų3423.7 Ų23.721%0.20613%0.132CC..Hα-helixtrans-70.8-35179.4-1800000111.5F292 S294 C295 S301F292-V297 HydrophobicContact CD1-CG1 4.04Å; S294-V297 PolarHBondContact O-N 2.73Å; S294-V297 VanDerWaalsContact O-N 3.16Å; S294-V297 PolarHBondContact OG-N 2.96Å; C295-V297 VanDerWaalsContact C-N 3.32Å; C295-V297 PolarHBondContact O-N 2.94Å; V297-S301 WeakPolarHBondContact O-CB 3.31Å; V297-S301 PolarHBondContact O-N 3.5Å; V297-S301 PolarHBondContact O-OG 3.02Å
298A98.8Very high98.7Very high0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-59.4-51.1174.700000111.7F292 S294 C295 T302 I437F292-A298 HydrophobicContact CB-CB 4.01Å; F292-A298 HydrophobicContact CD2-CB 3.55Å; F292-A298 HydrophobicContact CE2-CB 4.07Å; F292-A298 HydrophobicContact CG-CB 3.81Å; S294-A298 PolarHBondContact O-N 2.72Å; C295-A298 PolarHBondContact O-N 3.18Å; A298-T302 WeakPolarHBondContact O-CB 3.29Å; A298-T302 PolarHBondContact O-N 2.93Å; A298-T302 PolarHBondContact O-OG1 3.44Å; A298-I437 HydrophobicContact CB-CG2 4.37Å
299N98.9Very high98.7Very high1 Ų127.7 Ų27.71%0.00514%0.142CC..Hα-helixtrans-66.3-51.2-179.3-6114.3000111.3C295 S301 T302 L303 S324 M325 F392 D394 S423C295-N299 WeakPolarHBondContact O-CB 3.45Å; C295-N299 PolarHBondContact O-N 3.39Å; C295-N299 PolarHBondContact O-OD1 3.28Å; C295-N299 PolarHBondContact SG-OD1 3.05Å; N299-S301 PolarHBondContact O-N 3.24Å; N299-T302 PolarHBondContact O-N 3.42Å; N299-L303 VanDerWaalsContact O-CB 3.32Å; N299-L303 WeakPolarHBondContact O-CB 3.32Å; N299-L303 PolarHBondContact O-N 3.29Å; N299-S324 PolarHBondContact ND2-OG 2.8Å; N299-S324 VanDerWaalsContact ND2-OG 3.13Å; N299-M325 HydrophobicContact CB-CG 3.89Å; N299-M325 WeakPolarHBondContact ND2-CG 3.44Å; N299-F392 HydrophobicContact CB-CE1 4.47Å; N299-F392 HydrophobicContact CB-CZ 4.23Å; N299-D394 PolarHBondContact ND2-OD2 3.4Å; N299-S423 VanDerWaalsContact OD1-CB 3.29Å; N299-S423 WeakPolarHBondContact OD1-CB 3.38Å; N299-S423 PolarHBondContact OD1-OG 2.79Å
300D98.8Very high98.6Very high28 Ų2829.9 Ų29.915%0.1515%0.153CC..Hα-helixtrans-56.3-53.3-180-175.216.7000110.3F296 T302 F304 Q327 G328F296-D300 HydrophobicContact CE1-CB 4.42Å; F296-D300 VanDerWaalsContact O-CB 3.27Å; F296-D300 WeakPolarHBondContact O-CB 3.36Å; F296-D300 PolarHBondContact O-N 2.91Å; D300-T302 PolarHBondContact O-N 2.74Å; D300-F304 WeakPolarHBondContact O-CB 3.45Å; D300-F304 PolarHBondContact O-N 3.07Å; D300-Q327 PolarHBondContact OD2-NE2 2.81Å; D300-G328 WeakPolarHBondContact O-CA 3.44Å; D300-G328 WeakPolarHBondContact OD1-CA 3.14Å; D300-G328 PolarHBondContact OD1-N 3.4Å; D300-G328 VanDerWaalsContact OD1-N 3.12Å
301S98.8Very high98.6Very high10 Ų1034.8 Ų34.87%0.0718%0.184CC..Hα-helixtrans-66.3-40.8-177.4-52.70000112.9V297 N299 T305V297-S301 WeakPolarHBondContact O-CB 3.31Å; V297-S301 PolarHBondContact O-N 3.5Å; V297-S301 PolarHBondContact O-OG 3.02Å; N299-S301 PolarHBondContact O-N 3.24Å; S301-T305 WeakPolarHBondContact O-CB 3.46Å; S301-T305 PolarHBondContact O-N 2.86Å; S301-T305 PolarHBondContact O-OG1 3.07Å
302T98.9Very high98.4Very high0 Ų036.8 Ų36.80%021%0.207CC..Hα-helixtrans-72.2-51-176.4-56.70000111A298 N299 D300 F304 T305 L306 F392 I421 I437 V447A298-T302 WeakPolarHBondContact O-CB 3.29Å; A298-T302 PolarHBondContact O-N 2.93Å; A298-T302 PolarHBondContact O-OG1 3.44Å; N299-T302 PolarHBondContact O-N 3.42Å; D300-T302 PolarHBondContact O-N 2.74Å; T302-F304 VanDerWaalsContact C-N 3.35Å; T302-F304 PolarHBondContact O-N 2.68Å; T302-T305 PolarHBondContact O-N 2.8Å; T302-L306 HydrophobicContact CG2-CD1 3.75Å; T302-L306 HydrophobicContact CG2-CG 4.32Å; T302-L306 WeakPolarHBondContact O-CB 3.48Å; T302-L306 WeakPolarHBondContact O-CG 3.46Å; T302-L306 PolarHBondContact O-N 3.39Å; T302-F392 HydrophobicContact CG2-CD2 4.36Å; T302-F392 HydrophobicContact CG2-CE2 3.81Å; T302-I421 HydrophobicContact CG2-CG2 4.46Å; T302-I437 HydrophobicContact CG2-CD1 3.9Å; T302-I437 HydrophobicContact CG2-CG2 4.27Å; T302-I437 WeakPolarHBondContact OG1-CG2 3.29Å; T302-V447 HydrophobicContact CG2-CG2 4.01Å
303L98.9Very high98.4Very high0 Ų036.7 Ų36.70%021%0.207CC..Hα-helixtrans-62.9-42.1177.9-74.4161.3000111.1N299 A307 M325 I329 I361 A363 F392N299-L303 VanDerWaalsContact O-CB 3.32Å; N299-L303 WeakPolarHBondContact O-CB 3.32Å; N299-L303 PolarHBondContact O-N 3.29Å; L303-A307 WeakPolarHBondContact O-CB 3.43Å; L303-A307 PolarHBondContact O-N 3.44Å; L303-M325 HydrophobicContact CD1-CB 3.63Å; L303-M325 HydrophobicContact CD1-CG 3.63Å; L303-M325 HydrophobicContact CD1-SD 4.38Å; L303-I329 HydrophobicContact CB-CG1 4.24Å; L303-I329 HydrophobicContact CD1-CD1 4.27Å; L303-I329 HydrophobicContact CD1-CG1 4.17Å; L303-I329 HydrophobicContact CD2-CG1 4.33Å; L303-I329 HydrophobicContact CG-CG1 4.49Å; L303-I361 HydrophobicContact CD2-CG2 4.33Å; L303-A363 HydrophobicContact CD2-CB 4.32Å; L303-F392 HydrophobicContact CD1-CD1 3.96Å; L303-F392 HydrophobicContact CD1-CE1 3.84Å; L303-F392 HydrophobicContact CD1-CE2 4.49Å; L303-F392 HydrophobicContact CD1-CG 4.38Å; L303-F392 HydrophobicContact CD1-CZ 4.12Å; L303-F392 HydrophobicContact CD2-CB 4.06Å; L303-F392 HydrophobicContact CD2-CD1 4.1Å; L303-F392 HydrophobicContact CD2-CD2 3.89Å; L303-F392 HydrophobicContact CD2-CE2 4.43Å; L303-F392 HydrophobicContact CD2-CG 3.72Å; L303-F392 HydrophobicContact CG-CD1 4.18Å; L303-F392 HydrophobicContact CG-CD2 3.99Å; L303-F392 HydrophobicContact CG-CE1 4.22Å; L303-F392 HydrophobicContact CG-CE2 4.01Å; L303-F392 HydrophobicContact CG-CG 4.09Å; L303-F392 HydrophobicContact CG-CZ 4.15Å
304F98.8Very high98.4Very high74 Ų7434.9 Ų34.933%0.32520%0.196SC..Hα-helixtrans-57.5-52.2173.6175.6-92.3000111.8D300 T302 K308 N331D300-F304 WeakPolarHBondContact O-CB 3.45Å; D300-F304 PolarHBondContact O-N 3.07Å; T302-F304 VanDerWaalsContact C-N 3.35Å; T302-F304 PolarHBondContact O-N 2.68Å; F304-K308 WeakPolarHBondContact O-CB 3.49Å; F304-K308 PolarHBondContact O-N 2.84Å; F304-N331 HydrophobicContact CD2-CB 3.74Å; F304-N331 HydrophobicContact CE2-CB 4.1Å; F304-N331 WeakPolarHBondContact CE2-O 3.45Å
305T98.8Very high98.4Very high7 Ų733.1 Ų33.14%0.04318%0.183CC..Hα-helixtrans-64.4-49.9-173.8-57.70000111S301 T302 K308 M309 A451S301-T305 WeakPolarHBondContact O-CB 3.46Å; S301-T305 PolarHBondContact O-N 2.86Å; S301-T305 PolarHBondContact O-OG1 3.07Å; T302-T305 PolarHBondContact O-N 2.8Å; T305-K308 PolarHBondContact O-N 3.18Å; T305-M309 HydrophobicContact CG2-CG 4.43Å; T305-M309 HydrophobicContact CG2-SD 3.6Å; T305-M309 WeakPolarHBondContact O-CB 3.45Å; T305-M309 VanDerWaalsContact O-CG 3.27Å; T305-M309 WeakPolarHBondContact O-CG 3.48Å; T305-M309 PolarHBondContact O-N 2.8Å; T305-A451 WeakPolarHBondContact OG1-CA 3.46Å
306L98.8Very high98.4Very high12 Ų1232.7 Ų32.76%0.06318%0.18CC..Hα-helixtrans-64.4-48.3179.9-64.1175.6000111.7T302 K308 M309 L310 I361 I421 L443 V447T302-L306 HydrophobicContact CG2-CD1 3.75Å; T302-L306 HydrophobicContact CG2-CG 4.32Å; T302-L306 WeakPolarHBondContact O-CB 3.48Å; T302-L306 WeakPolarHBondContact O-CG 3.46Å; T302-L306 PolarHBondContact O-N 3.39Å; L306-K308 PolarHBondContact O-N 2.9Å; L306-M309 PolarHBondContact O-N 3.31Å; L306-L310 HydrophobicContact CB-CD1 4.35Å; L306-L310 VanDerWaalsContact O-CB 3.3Å; L306-L310 WeakPolarHBondContact O-CB 3.18Å; L306-L310 VanDerWaalsContact O-CG 3.31Å; L306-L310 WeakPolarHBondContact O-CG 3.38Å; L306-L310 PolarHBondContact O-N 3.29Å; L306-I361 HydrophobicContact CB-CD1 3.88Å; L306-I361 HydrophobicContact CD1-CD1 4.49Å; L306-I421 HydrophobicContact CD1-CD1 3.45Å; L306-I421 VanDerWaalsContact CD1-CD1 3.45Å; L306-L443 HydrophobicContact CD1-CD1 4.38Å; L306-L443 HydrophobicContact CD1-CD2 4.26Å; L306-L443 HydrophobicContact CD2-CD2 4.49Å; L306-L443 HydrophobicContact CD2-CG 4.21Å; L306-V447 HydrophobicContact CD2-CG2 4.25Å; L306-V447 HydrophobicContact CG-CG2 4.41Å
307A98.2Very high98.4Very high7 Ų729.4 Ų29.46%0.05817%0.167CC..Hα-helixtrans-64.3-27179.500000113.1L303 I315 A334L303-A307 WeakPolarHBondContact O-CB 3.43Å; L303-A307 PolarHBondContact O-N 3.44Å; A307-I315 HydrophobicContact CB-CD1 3.77Å; A307-I315 HydrophobicContact CB-CG1 4.2Å; A307-A334 HydrophobicContact CB-CB 3.96Å
308K97.8Very high98.3Very high133 Ų13328 Ų2858%0.57816%0.158SC*.Hα-helixtrans-82.5-34.4176.6-161.972.3-174.21750113.6F304 T305 L306 S332F304-K308 WeakPolarHBondContact O-CB 3.49Å; F304-K308 PolarHBondContact O-N 2.84Å; T305-K308 PolarHBondContact O-N 3.18Å; L306-K308 PolarHBondContact O-N 2.9Å; K308-S332 WeakPolarHBondContact CD-O 3.42Å; K308-S332 PolarHBondContact NZ-O 3.28Å
309M97.6Very high98Very high82 Ų8230.8 Ų30.840%0.40418%0.182SC..Hα-helixtrans-85.1-33-177.5-70-18071.400113.2T305 L306 T446 Y450T305-M309 HydrophobicContact CG2-CG 4.43Å; T305-M309 HydrophobicContact CG2-SD 3.6Å; T305-M309 WeakPolarHBondContact O-CB 3.45Å; T305-M309 VanDerWaalsContact O-CG 3.27Å; T305-M309 WeakPolarHBondContact O-CG 3.48Å; T305-M309 PolarHBondContact O-N 2.8Å; L306-M309 PolarHBondContact O-N 3.31Å; M309-T446 HydrophobicContact CE-CG2 3.8Å; M309-T446 HydrophobicContact SD-CG2 3.98Å; M309-Y450 HydrophobicContact CE-CD1 3.93Å; M309-Y450 HydrophobicContact CE-CD2 3.63Å; M309-Y450 HydrophobicContact CE-CE1 4.08Å; M309-Y450 HydrophobicContact CE-CE2 3.8Å; M309-Y450 HydrophobicContact CE-CG 3.7Å; M309-Y450 HydrophobicContact SD-CD1 4.15Å; M309-Y450 HydrophobicContact SD-CD2 4.04Å; M309-Y450 HydrophobicContact SD-CG 3.7Å
310L98.3Very high97.5Very high55 Ų5531.8 Ų31.829%0.28819%0.192SC..SBendtrans-72.9123.6-179.8-72.4168.7000110.7L306 G312 C313 P359 I361L306-L310 HydrophobicContact CB-CD1 4.35Å; L306-L310 VanDerWaalsContact O-CB 3.3Å; L306-L310 WeakPolarHBondContact O-CB 3.18Å; L306-L310 VanDerWaalsContact O-CG 3.31Å; L306-L310 WeakPolarHBondContact O-CG 3.38Å; L306-L310 PolarHBondContact O-N 3.29Å; L310-G312 PolarHBondContact O-N 3.06Å; L310-C313 HydrophobicContact CB-CB 3.79Å; L310-C313 WeakPolarHBondContact O-CB 3.34Å; L310-C313 PolarHBondContact O-N 3.47Å; L310-P359 HydrophobicContact CB-CB 4.12Å; L310-P359 HydrophobicContact CB-CG 3.81Å; L310-P359 HydrophobicContact CD1-CB 4.36Å; L310-P359 HydrophobicContact CD2-CB 4.17Å; L310-P359 HydrophobicContact CD2-CG 4.5Å; L310-P359 HydrophobicContact CG-CB 4.45Å; L310-I361 HydrophobicContact CD1-CD1 4.26Å
311P97.5Very high97.2Very high105 Ų10530.7 Ų30.768%0.68219%0.186SC*.THydrogen-bonded Turntrans-69.6108.7-16826.4-34.9000112.2P359P311-P359 WeakPolarHBondContact O-CD 3.45Å
312G96.4Very high97Very high51 Ų5133.6 Ų33.653%0.52620%0.198SC..THydrogen-bonded Turntrans7132.6-177.700000113.5L310L310-G312 PolarHBondContact O-N 3.06Å
313C98.4Very high96.4Very high4 Ų436.4 Ų36.43%0.02722%0.222CC..  trans-52.8136.2-179-1620000113.4L310 P359L310-C313 HydrophobicContact CB-CB 3.79Å; L310-C313 WeakPolarHBondContact O-CB 3.34Å; L310-C313 PolarHBondContact O-N 3.47Å; C313-P359 WeakPolarHBondContact CA-O 3.42Å
314E98.4Very high96.2Very high6 Ų636.4 Ų36.43%0.02822%0.222CC..EExtended strand (participates in β ladder)trans-109.3132.9170.9-61.5-167.3137.300110.6Y316 K335 F337 K358 P359 K360 I361E314-Y316 HydrophobicContact CB-CE2 3.68Å; E314-Y316 PolarHBondContact OE2-OH 2.94Å; E314-K335 CarbonylContact C-O 3.55Å; E314-K335 WeakPolarHBondContact CA-O 3.27Å; E314-K335 HydrophobicContact CG-CD 4.3Å; E314-K335 WeakPolarHBondContact OE1-CD 3.1Å; E314-K335 WeakPolarHBondContact OE1-CE 3.36Å; E314-K335 IonicContact OE1-NZ 2.77Å; E314-K335 PolarHBondContact OE1-NZ 3.24Å; E314-F337 HydrophobicContact CB-CE2 4.07Å; E314-F337 HydrophobicContact CG-CE2 4.21Å; E314-K358 HydrophobicContact CG-CB 4.43Å; E314-P359 PolarHBondContact N-O 3.14Å; E314-K360 HydrophobicContact CB-CG 4.32Å; E314-K360 CarbonylContact O-C 3.49Å; E314-K360 VanDerWaalsContact O-CA 3.23Å; E314-K360 WeakPolarHBondContact O-CA 3.4Å; E314-I361 PolarHBondContact O-N 3.43Å
315I98.6Very high96.2Very high0 Ų032.9 Ų32.90%021%0.207CC..EExtended strand (participates in β ladder)trans-112.1124.4-179.7-49-61.4000110.3A307 I329 A334 K335 K336 F337 I361A307-I315 HydrophobicContact CB-CD1 3.77Å; A307-I315 HydrophobicContact CB-CG1 4.2Å; I315-I329 HydrophobicContact CB-CG2 4.11Å; I315-I329 HydrophobicContact CG1-CG2 4.3Å; I315-I329 HydrophobicContact CG2-CD1 3.75Å; I315-I329 HydrophobicContact CG2-CG1 3.9Å; I315-I329 HydrophobicContact CG2-CG2 3.92Å; I315-A334 HydrophobicContact CG1-CB 4.03Å; I315-K335 PolarHBondContact N-O 2.99Å; I315-K336 HydrophobicContact CB-CB 4.47Å; I315-K336 CarbonylContact O-C 3.25Å; I315-K336 VanDerWaalsContact O-CA 3.24Å; I315-K336 WeakPolarHBondContact O-CA 3.47Å; I315-F337 PolarHBondContact O-N 3.22Å; I315-I361 WeakPolarHBondContact CA-O 3.38Å; I315-I361 HydrophobicContact CD1-CB 3.75Å; I315-I361 HydrophobicContact CD1-CD1 3.85Å; I315-I361 HydrophobicContact CD1-CG1 3.88Å
316Y98.7Very high95.8Very high0 Ų035 Ų350%022%0.217CC..EExtended strand (participates in β ladder)trans-105.8108175.7-62-99.7000106.7E314 F337 L347 L350 L351 G354 K360 I361 V362 A363E314-Y316 HydrophobicContact CB-CE2 3.68Å; E314-Y316 PolarHBondContact OE2-OH 2.94Å; Y316-F337 HydrophobicContact CD1-CB 3.94Å; Y316-F337 AromaticContact CD1-CD2 3.93Å; Y316-F337 HydrophobicContact CD1-CD2 3.93Å; Y316-F337 HydrophobicContact CD1-CG 4.23Å; Y316-F337 HydrophobicContact CD2-CD2 4.46Å; Y316-F337 HydrophobicContact CE1-CB 4.16Å; Y316-F337 AromaticContact CE1-CD2 3.47Å; Y316-F337 HydrophobicContact CE1-CD2 3.47Å; Y316-F337 VanDerWaalsContact CE1-CD2 3.47Å; Y316-F337 AromaticContact CE1-CE2 3.9Å; Y316-F337 HydrophobicContact CE1-CE2 3.9Å; Y316-F337 AromaticContact CE1-CG 3.94Å; Y316-F337 HydrophobicContact CE1-CG 3.94Å; Y316-F337 HydrophobicContact CE2-CD2 4.04Å; Y316-F337 HydrophobicContact CE2-CE2 4.22Å; Y316-F337 HydrophobicContact CG-CD2 4.39Å; Y316-F337 AromaticContact CZ-CD2 3.52Å; Y316-F337 AromaticContact CZ-CE2 3.58Å; Y316-F337 WeakPolarHBondContact OH-CE2 3.42Å; Y316-L347 HydrophobicContact CD1-CD1 4.28Å; Y316-L347 HydrophobicContact CG-CD1 4.41Å; Y316-L350 HydrophobicContact CD1-CB 4.04Å; Y316-L350 HydrophobicContact CE1-CB 4.02Å; Y316-L351 HydrophobicContact CD1-CD2 3.84Å; Y316-L351 HydrophobicContact CD1-CG 4.14Å; Y316-L351 HydrophobicContact CD2-CD2 3.92Å; Y316-L351 HydrophobicContact CE1-CD2 3.8Å; Y316-L351 HydrophobicContact CE1-CG 4.19Å; Y316-L351 HydrophobicContact CE2-CD2 3.91Å; Y316-L351 HydrophobicContact CG-CD2 3.92Å; Y316-G354 WeakPolarHBondContact OH-CA 3.16Å; Y316-K360 HydrophobicContact CD2-CB 4.26Å; Y316-K360 HydrophobicContact CE2-CB 3.96Å; Y316-K360 HydrophobicContact CE2-CD 3.83Å; Y316-K360 HydrophobicContact CE2-CG 3.91Å; Y316-I361 PolarHBondContact N-O 3.12Å; Y316-V362 CarbonylContact O-C 3.43Å; Y316-V362 WeakPolarHBondContact O-CA 3.48Å; Y316-A363 PolarHBondContact O-N 2.93Å
317S98.3Very high95.4Very high9 Ų937.8 Ų37.86%0.06323%0.23CC..EExtended strand (participates in β ladder)trans-113.7128-169.7175.20000110.4N321 F337 I338 F339S317-N321 PolarHBondContact OG-ND2 3.41Å; S317-F337 PolarHBondContact N-O 3.39Å; S317-I338 VanDerWaalsContact O-CA 3.28Å; S317-I338 WeakPolarHBondContact O-CA 3.13Å; S317-F339 VanDerWaalsContact C-CD1 3.45Å; S317-F339 WeakPolarHBondContact O-CD1 3.43Å; S317-F339 PolarHBondContact O-N 3.19Å; S317-F339 VanDerWaalsContact O-N 3.1Å
318D97.9Very high95.3Very high3 Ų337.4 Ų37.42%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-57.4140.7168-172.7-74.2000110.4G320 N321 F339 H341 N342 A363 F364D318-G320 VanDerWaalsContact C-N 3.28Å; D318-G320 PolarHBondContact O-N 2.94Å; D318-G320 WeakPolarHBondContact OD1-CA 3.25Å; D318-G320 PolarHBondContact OD1-N 3.26Å; D318-N321 PolarHBondContact N-ND2 2.6Å; D318-N321 VanDerWaalsContact N-ND2 3.18Å; D318-N321 WeakPolarHBondContact O-CB 3.31Å; D318-N321 PolarHBondContact O-N 3.12Å; D318-N321 PolarHBondContact O-ND2 3.25Å; D318-F339 HydrophobicContact CB-CD2 4.44Å; D318-F339 HydrophobicContact CB-CE1 4.18Å; D318-F339 HydrophobicContact CB-CE2 3.7Å; D318-F339 HydrophobicContact CB-CZ 3.56Å; D318-F339 WeakPolarHBondContact OD2-CE2 3.11Å; D318-H341 IonicContact OD1-CE1 3.01Å; D318-H341 IonicContact OD1-CG 2.68Å; D318-H341 IonicContact OD1-ND1 3.31Å; D318-H341 PolarHBondContact OD1-ND1 2.96Å; D318-H341 WeakPolarHBondContact OD2-CA 3.45Å; D318-H341 IonicContact OD2-ND1 2.9Å; D318-H341 PolarHBondContact OD2-ND1 3.35Å; D318-N342 PolarHBondContact OD2-N 2.76Å; D318-A363 PolarHBondContact N-O 2.94Å; D318-F364 HydrophobicContact CB-CB 3.97Å
319A90.4Very high95.2Very high60 Ų6031.3 Ų31.350%0.49620%0.201SC..THydrogen-bonded Turntrans-65.5-25.7-179.400000114.5I338 F339A319-I338 HydrophobicContact CB-CG2 3.82Å; A319-F339 VanDerWaalsContact CB-O 3.27Å; A319-F339 WeakPolarHBondContact CB-O 3.42Å; A319-F339 PolarHBondContact N-O 3.44Å; A319-F339 VanDerWaalsContact N-O 3.1Å
320G88.6Confident94.9Very high21 Ų2134.7 Ų34.722%0.21621%0.209CC..THydrogen-bonded Turntrans-84-5.517700000114.5D318 H322 H368D318-G320 VanDerWaalsContact C-N 3.28Å; D318-G320 PolarHBondContact O-N 2.94Å; D318-G320 WeakPolarHBondContact OD1-CA 3.25Å; D318-G320 PolarHBondContact OD1-N 3.26Å; G320-H322 PolarHBondContact O-N 3.44Å; G320-H368 PolarHBondContact O-NE2 3.14Å
321N92.6Very high94.6Very high5 Ų536.4 Ų36.43%0.02722%0.218CC..  trans-51132-173.5-90.1-27.1000114.6S317 D318 M325 I326 A363 F364S317-N321 PolarHBondContact OG-ND2 3.41Å; D318-N321 PolarHBondContact N-ND2 2.6Å; D318-N321 VanDerWaalsContact N-ND2 3.18Å; D318-N321 WeakPolarHBondContact O-CB 3.31Å; D318-N321 PolarHBondContact O-N 3.12Å; D318-N321 PolarHBondContact O-ND2 3.25Å; N321-M325 HydrophobicContact CB-CB 4.44Å; N321-M325 HydrophobicContact CB-CE 4.04Å; N321-M325 WeakPolarHBondContact OD1-CE 3.49Å; N321-I326 HydrophobicContact CB-CG1 4.31Å; N321-I326 WeakPolarHBondContact O-CD1 3.37Å; N321-A363 PolarHBondContact ND2-O 2.94Å; N321-F364 VanDerWaalsContact OD1-CA 3.27Å; N321-F364 WeakPolarHBondContact OD1-CA 3.26Å
322H94.4Very high94.5Very high71 Ų7131.5 Ų31.533%0.32919%0.187SC..  trans-51.9146.8175.6-173.4-105.6000113.5G320 S324 M325 I326 E365G320-H322 PolarHBondContact O-N 3.44Å; H322-S324 PolarHBondContact ND1-N 3.25Å; H322-S324 PolarHBondContact ND1-OG 2.8Å; H322-S324 PolarHBondContact O-N 2.98Å; H322-M325 HydrophobicContact CB-CE 4.26Å; H322-M325 PolarHBondContact O-N 2.78Å; H322-I326 PolarHBondContact O-N 3.23Å; H322-E365 WeakPolarHBondContact CA-OE1 3.19Å; H322-E365 WeakPolarHBondContact CB-OE1 3.32Å; H322-E365 PolarHBondContact N-OE1 3.25Å
323A86.7Confident94.4Very high59 Ų5932.1 Ų32.149%0.48819%0.193SC..Hα-helixtrans-53.4-28.2-175.500000114.8Q327A323-Q327 VanDerWaalsContact O-CB 3.3Å; A323-Q327 WeakPolarHBondContact O-CB 3.09Å; A323-Q327 PolarHBondContact O-N 3.45Å
324S95.3Very high94.2Very high1 Ų133 Ų331%0.00720%0.2CC..Hα-helixtrans-66.1-40.9175.554.70000113.2F296 N299 H322 Q327 G328F296-S324 WeakPolarHBondContact O-CB 3.34Å; N299-S324 PolarHBondContact ND2-OG 2.8Å; N299-S324 VanDerWaalsContact ND2-OG 3.13Å; H322-S324 PolarHBondContact ND1-N 3.25Å; H322-S324 PolarHBondContact ND1-OG 2.8Å; H322-S324 PolarHBondContact O-N 2.98Å; S324-Q327 PolarHBondContact O-N 2.91Å; S324-G328 PolarHBondContact O-N 2.89Å
325M98.2Very high94.1Very high0 Ų038.2 Ų38.20%022%0.223CC..Hα-helixtrans-68.7-48175.6-65.8-169.3-87.100110.3N299 L303 N321 H322 Q327 G328 I329 E365 F392 D394N299-M325 HydrophobicContact CB-CG 3.89Å; N299-M325 WeakPolarHBondContact ND2-CG 3.44Å; L303-M325 HydrophobicContact CD1-CB 3.63Å; L303-M325 HydrophobicContact CD1-CG 3.63Å; L303-M325 HydrophobicContact CD1-SD 4.38Å; N321-M325 HydrophobicContact CB-CB 4.44Å; N321-M325 HydrophobicContact CB-CE 4.04Å; N321-M325 WeakPolarHBondContact OD1-CE 3.49Å; H322-M325 HydrophobicContact CB-CE 4.26Å; H322-M325 PolarHBondContact O-N 2.78Å; M325-Q327 PolarHBondContact O-N 2.78Å; M325-G328 PolarHBondContact O-N 3.2Å; M325-I329 HydrophobicContact CB-CD1 4.46Å; M325-I329 WeakPolarHBondContact O-CB 3.33Å; M325-I329 WeakPolarHBondContact O-CD1 3.28Å; M325-I329 WeakPolarHBondContact O-CG1 3.11Å; M325-I329 PolarHBondContact O-N 3.29Å; M325-E365 HydrophobicContact CE-CG 3.49Å; M325-E365 VanDerWaalsContact CE-CG 3.49Å; M325-F392 HydrophobicContact CG-CE1 4.14Å; M325-F392 HydrophobicContact SD-CD1 3.93Å; M325-F392 HydrophobicContact SD-CE1 3.77Å; M325-D394 HydrophobicContact CE-CB 3.84Å; M325-D394 HydrophobicContact SD-CB 4.05Å
326I90.5Very high94Very high52 Ų5243 Ų4327%0.26724%0.243SC..Hα-helixtrans-55.3-37.7175.6-64.4178.9000111.3N321 H322 R330N321-I326 HydrophobicContact CB-CG1 4.31Å; N321-I326 WeakPolarHBondContact O-CD1 3.37Å; H322-I326 PolarHBondContact O-N 3.23Å; I326-R330 HydrophobicContact CG2-CG 4.27Å; I326-R330 VanDerWaalsContact CG2-CZ 3.45Å; I326-R330 VanDerWaalsContact O-CB 3.31Å; I326-R330 WeakPolarHBondContact O-CB 3.4Å; I326-R330 VanDerWaalsContact O-CG 3.29Å; I326-R330 WeakPolarHBondContact O-CG 3.44Å; I326-R330 PolarHBondContact O-N 3.33Å
327Q90.9Very high93.9Very high69 Ų6944.8 Ų44.832%0.32225%0.252SS..Hα-helixtrans-64.8-54.2178.1-174.8163.7-6200111.9D300 A323 S324 M325 I329 R330 N331D300-Q327 PolarHBondContact OD2-NE2 2.81Å; A323-Q327 VanDerWaalsContact O-CB 3.3Å; A323-Q327 WeakPolarHBondContact O-CB 3.09Å; A323-Q327 PolarHBondContact O-N 3.45Å; S324-Q327 PolarHBondContact O-N 2.91Å; M325-Q327 PolarHBondContact O-N 2.78Å; Q327-I329 VanDerWaalsContact C-N 3.33Å; Q327-I329 PolarHBondContact O-N 3.31Å; Q327-R330 PolarHBondContact O-N 3.36Å; Q327-N331 VanDerWaalsContact CG-ND2 3.3Å; Q327-N331 WeakPolarHBondContact CG-ND2 3.39Å; Q327-N331 VanDerWaalsContact O-CB 3.27Å; Q327-N331 WeakPolarHBondContact O-CB 3.24Å; Q327-N331 PolarHBondContact O-N 3.43Å; Q327-N331 PolarHBondContact O-ND2 3.16Å
328G95.6Very high93.8Very high0 Ų048.9 Ų48.90%027%0.272CS..Hα-helixtrans-59.5-43.8179.700000112.5D300 S324 M325 N331 S332D300-G328 WeakPolarHBondContact O-CA 3.44Å; D300-G328 WeakPolarHBondContact OD1-CA 3.14Å; D300-G328 PolarHBondContact OD1-N 3.4Å; D300-G328 VanDerWaalsContact OD1-N 3.12Å; S324-G328 PolarHBondContact O-N 2.89Å; M325-G328 PolarHBondContact O-N 3.2Å; G328-N331 PolarHBondContact O-N 3.44Å; G328-S332 PolarHBondContact O-N 3.49Å; G328-S332 VanDerWaalsContact O-N 3.08Å
329I96.4Very high93.8Very high5 Ų548.8 Ų48.83%0.02627%0.271CS..Hα-helixtrans-60.7-52177-63.4168.5000110.6L303 I315 M325 Q327 N331 S332 K336 A363L303-I329 HydrophobicContact CB-CG1 4.24Å; L303-I329 HydrophobicContact CD1-CD1 4.27Å; L303-I329 HydrophobicContact CD1-CG1 4.17Å; L303-I329 HydrophobicContact CD2-CG1 4.33Å; L303-I329 HydrophobicContact CG-CG1 4.49Å; I315-I329 HydrophobicContact CB-CG2 4.11Å; I315-I329 HydrophobicContact CG1-CG2 4.3Å; I315-I329 HydrophobicContact CG2-CD1 3.75Å; I315-I329 HydrophobicContact CG2-CG1 3.9Å; I315-I329 HydrophobicContact CG2-CG2 3.92Å; M325-I329 HydrophobicContact CB-CD1 4.46Å; M325-I329 WeakPolarHBondContact O-CB 3.33Å; M325-I329 WeakPolarHBondContact O-CD1 3.28Å; M325-I329 WeakPolarHBondContact O-CG1 3.11Å; M325-I329 PolarHBondContact O-N 3.29Å; Q327-I329 VanDerWaalsContact C-N 3.33Å; Q327-I329 PolarHBondContact O-N 3.31Å; I329-N331 PolarHBondContact O-N 3.08Å; I329-S332 PolarHBondContact O-N 3.47Å; I329-S332 PolarHBondContact O-OG 3.02Å; I329-K336 HydrophobicContact CG2-CB 4.13Å; I329-K336 HydrophobicContact CG2-CD 4.35Å; I329-A363 HydrophobicContact CD1-CB 4.38Å
330R90.4Very high94Very high152 Ų15252.5 Ų52.557%0.57427%0.272SS*.Hα-helixtrans-64.9-40.6-179.8-74.3-165.6-57.6-143.21.7112.7I326 Q327 S332 G333I326-R330 HydrophobicContact CG2-CG 4.27Å; I326-R330 VanDerWaalsContact CG2-CZ 3.45Å; I326-R330 VanDerWaalsContact O-CB 3.31Å; I326-R330 WeakPolarHBondContact O-CB 3.4Å; I326-R330 VanDerWaalsContact O-CG 3.29Å; I326-R330 WeakPolarHBondContact O-CG 3.44Å; I326-R330 PolarHBondContact O-N 3.33Å; Q327-R330 PolarHBondContact O-N 3.36Å; R330-S332 VanDerWaalsContact C-N 3.3Å; R330-S332 PolarHBondContact O-N 2.88Å; R330-G333 PolarHBondContact O-N 2.96Å
331N92.4Very high94.2Very high92 Ų9253.8 Ų53.849%0.49227%0.273SS..Hα-helixtrans-68-29.7-177.6-71.2-11.8000112.4F304 Q327 G328 I329 G333F304-N331 HydrophobicContact CD2-CB 3.74Å; F304-N331 HydrophobicContact CE2-CB 4.1Å; F304-N331 WeakPolarHBondContact CE2-O 3.45Å; Q327-N331 VanDerWaalsContact CG-ND2 3.3Å; Q327-N331 WeakPolarHBondContact CG-ND2 3.39Å; Q327-N331 VanDerWaalsContact O-CB 3.27Å; Q327-N331 WeakPolarHBondContact O-CB 3.24Å; Q327-N331 PolarHBondContact O-N 3.43Å; Q327-N331 PolarHBondContact O-ND2 3.16Å; G328-N331 PolarHBondContact O-N 3.44Å; I329-N331 PolarHBondContact O-N 3.08Å; N331-G333 PolarHBondContact O-N 2.7Å
332S96Very high94.2Very high2 Ų254.9 Ų54.91%0.01428%0.279CS..Hα-helixtrans-61.1-33.8177.573.90000112.9K308 G328 I329 R330 A334K308-S332 WeakPolarHBondContact CD-O 3.42Å; K308-S332 PolarHBondContact NZ-O 3.28Å; G328-S332 PolarHBondContact O-N 3.49Å; G328-S332 VanDerWaalsContact O-N 3.08Å; I329-S332 PolarHBondContact O-N 3.47Å; I329-S332 PolarHBondContact O-OG 3.02Å; R330-S332 VanDerWaalsContact C-N 3.3Å; R330-S332 PolarHBondContact O-N 2.88Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 VanDerWaalsContact OG-CB 3.3Å; S332-A334 WeakPolarHBondContact OG-CB 3.24Å; S332-A334 PolarHBondContact OG-N 3.38Å
333G93.2Very high94.3Very high64 Ų6453.2 Ų53.266%0.6627%0.272SS*.THydrogen-bonded Turntrans75.39.5-168.800000114.3R330 N331R330-G333 PolarHBondContact O-N 2.96Å; N331-G333 PolarHBondContact O-N 2.7Å
334A95.3Very high94.7Very high22 Ų2252.9 Ų52.918%0.18226%0.262CS..  trans-64.2154.9174.400000112A307 I315 S332 K336A307-A334 HydrophobicContact CB-CB 3.96Å; I315-A334 HydrophobicContact CG1-CB 4.03Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 VanDerWaalsContact OG-CB 3.3Å; S332-A334 WeakPolarHBondContact OG-CB 3.24Å; S332-A334 PolarHBondContact OG-N 3.38Å; A334-K336 PolarHBondContact O-N 3.12Å
335K95.8Very high94.8Very high116 Ų11656.1 Ų56.150%0.50429%0.289SS..EExtended strand (participates in β ladder)trans-67128174.3-174.8-179.6173.1-154.70107.8E314 I315 F337E314-K335 CarbonylContact C-O 3.55Å; E314-K335 WeakPolarHBondContact CA-O 3.27Å; E314-K335 HydrophobicContact CG-CD 4.3Å; E314-K335 WeakPolarHBondContact OE1-CD 3.1Å; E314-K335 WeakPolarHBondContact OE1-CE 3.36Å; E314-K335 IonicContact OE1-NZ 2.77Å; E314-K335 PolarHBondContact OE1-NZ 3.24Å; I315-K335 PolarHBondContact N-O 2.99Å; K335-F337 HydrophobicContact CD-CE2 4.3Å; K335-F337 HydrophobicContact CD-CZ 4.08Å; K335-F337 HydrophobicContact CG-CE2 4.26Å; K335-F337 HydrophobicContact CG-CZ 4.31Å
336K96.6Very high94.8Very high99 Ų9957.7 Ų57.743%0.4330%0.296SS..EExtended strand (participates in β ladder)trans-123.8143-176.873.8-176.7-175.4177.60111.7I315 I329 A334I315-K336 HydrophobicContact CB-CB 4.47Å; I315-K336 CarbonylContact O-C 3.25Å; I315-K336 VanDerWaalsContact O-CA 3.24Å; I315-K336 WeakPolarHBondContact O-CA 3.47Å; I329-K336 HydrophobicContact CG2-CB 4.13Å; I329-K336 HydrophobicContact CG2-CD 4.35Å; A334-K336 PolarHBondContact O-N 3.12Å
337F97.2Very high95.2Very high39 Ų3955.2 Ų55.217%0.17128%0.283CS..EExtended strand (participates in β ladder)trans-123142.4172.2-53.8-87.6000108.1E314 I315 Y316 S317 K335 L350E314-F337 HydrophobicContact CB-CE2 4.07Å; E314-F337 HydrophobicContact CG-CE2 4.21Å; I315-F337 PolarHBondContact O-N 3.22Å; Y316-F337 HydrophobicContact CD1-CB 3.94Å; Y316-F337 AromaticContact CD1-CD2 3.93Å; Y316-F337 HydrophobicContact CD1-CD2 3.93Å; Y316-F337 HydrophobicContact CD1-CG 4.23Å; Y316-F337 HydrophobicContact CD2-CD2 4.46Å; Y316-F337 HydrophobicContact CE1-CB 4.16Å; Y316-F337 AromaticContact CE1-CD2 3.47Å; Y316-F337 HydrophobicContact CE1-CD2 3.47Å; Y316-F337 VanDerWaalsContact CE1-CD2 3.47Å; Y316-F337 AromaticContact CE1-CE2 3.9Å; Y316-F337 HydrophobicContact CE1-CE2 3.9Å; Y316-F337 AromaticContact CE1-CG 3.94Å; Y316-F337 HydrophobicContact CE1-CG 3.94Å; Y316-F337 HydrophobicContact CE2-CD2 4.04Å; Y316-F337 HydrophobicContact CE2-CE2 4.22Å; Y316-F337 HydrophobicContact CG-CD2 4.39Å; Y316-F337 AromaticContact CZ-CD2 3.52Å; Y316-F337 AromaticContact CZ-CE2 3.58Å; Y316-F337 WeakPolarHBondContact OH-CE2 3.42Å; S317-F337 PolarHBondContact N-O 3.39Å; K335-F337 HydrophobicContact CD-CE2 4.3Å; K335-F337 HydrophobicContact CD-CZ 4.08Å; K335-F337 HydrophobicContact CG-CE2 4.26Å; K335-F337 HydrophobicContact CG-CZ 4.31Å; F337-L350 HydrophobicContact CB-CD1 4.19Å; F337-L350 HydrophobicContact CB-CD2 4.4Å; F337-L350 HydrophobicContact CD1-CD2 4.33Å
338I96.4Very high95.5Very high95 Ų9556 Ų5649%0.48728%0.283SS..EExtended strand (participates in β ladder)trans-115.9112.3-178.2-59175.5000108S317 A319 H346S317-I338 VanDerWaalsContact O-CA 3.28Å; S317-I338 WeakPolarHBondContact O-CA 3.13Å; A319-I338 HydrophobicContact CB-CG2 3.82Å; I338-H346 PolarHBondContact O-CE1 3.15Å
339F97.6Very high95.7Very high1 Ų160 Ų600%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-85.6160.6172.661.6-87.2000110.6S317 D318 A319 H346 L347 L350 V362 F364 M380S317-F339 VanDerWaalsContact C-CD1 3.45Å; S317-F339 WeakPolarHBondContact O-CD1 3.43Å; S317-F339 PolarHBondContact O-N 3.19Å; S317-F339 VanDerWaalsContact O-N 3.1Å; D318-F339 HydrophobicContact CB-CD2 4.44Å; D318-F339 HydrophobicContact CB-CE1 4.18Å; D318-F339 HydrophobicContact CB-CE2 3.7Å; D318-F339 HydrophobicContact CB-CZ 3.56Å; D318-F339 WeakPolarHBondContact OD2-CE2 3.11Å; A319-F339 VanDerWaalsContact CB-O 3.27Å; A319-F339 WeakPolarHBondContact CB-O 3.42Å; A319-F339 PolarHBondContact N-O 3.44Å; A319-F339 VanDerWaalsContact N-O 3.1Å; F339-H346 WeakPolarHBondContact CA-ND1 3.36Å; F339-L347 HydrophobicContact CB-CB 4.13Å; F339-L347 HydrophobicContact CD1-CB 4.43Å; F339-L347 HydrophobicContact CD1-CD1 3.74Å; F339-L347 HydrophobicContact CD2-CB 4.13Å; F339-L347 HydrophobicContact CE1-CD1 3.96Å; F339-L347 HydrophobicContact CE1-CD2 4.44Å; F339-L347 HydrophobicContact CG-CB 4.03Å; F339-L347 HydrophobicContact CG-CD1 4.2Å; F339-L347 HydrophobicContact CZ-CD2 4.33Å; F339-L350 HydrophobicContact CB-CD1 3.9Å; F339-V362 HydrophobicContact CE1-CG1 4.1Å; F339-V362 HydrophobicContact CZ-CG1 4.27Å; F339-F364 HydrophobicContact CZ-CB 4.37Å; F339-M380 HydrophobicContact CE2-CE 3.95Å; F339-M380 HydrophobicContact CE2-SD 3.86Å; F339-M380 HydrophobicContact CZ-CE 4.49Å; F339-M380 HydrophobicContact CZ-SD 4.02Å
340R93.9Very high95.7Very high138 Ų13860.8 Ų60.852%0.52131%0.306SS..PPolyproline II helixtrans-72148.3-179.9-76.6178.4-56.7-118.74.9108N342 D343 H346R340-N342 PolarHBondContact O-N 2.91Å; R340-N342 VanDerWaalsContact O-N 3.15Å; R340-D343 HydrophobicContact CB-CB 3.61Å; R340-D343 IonicContact CZ-OD2 2.65Å; R340-D343 IonicContact NE-OD2 3.39Å; R340-D343 PolarHBondContact NE-OD2 2.81Å; R340-D343 IonicContact NH2-OD2 2.75Å; R340-D343 PolarHBondContact NH2-OD2 3.35Å; R340-D343 VanDerWaalsContact O-CB 3.3Å; R340-D343 WeakPolarHBondContact O-CB 3.22Å; R340-D343 PolarHBondContact O-N 2.82Å; R340-H346 PolarHBondContact N-ND1 2.68Å
341H93.7Very high96.1Very high48 Ų4853.7 Ų53.722%0.22228%0.279CS..THydrogen-bonded Turntrans-55.4121.4-172.5-176.148.8000111.5D318 D343 H368 D371D318-H341 IonicContact OD1-CE1 3.01Å; D318-H341 IonicContact OD1-CG 2.68Å; D318-H341 IonicContact OD1-ND1 3.31Å; D318-H341 PolarHBondContact OD1-ND1 2.96Å; D318-H341 WeakPolarHBondContact OD2-CA 3.45Å; D318-H341 IonicContact OD2-ND1 2.9Å; D318-H341 PolarHBondContact OD2-ND1 3.35Å; H341-D343 PolarHBondContact O-N 2.84Å; H341-H368 AromaticContact NE2-ND1 3.92Å; H341-D371 IonicContact CD2-OD2 3.12Å; H341-D371 IonicContact NE2-OD2 2.91Å
342N92.4Very high96.3Very high28 Ų2854.7 Ų54.715%0.1528%0.281CS..THydrogen-bonded Turntrans56.420.9-175.2-66.3-46.2000116.2D318 R340 L344 C375D318-N342 PolarHBondContact OD2-N 2.76Å; R340-N342 PolarHBondContact O-N 2.91Å; R340-N342 VanDerWaalsContact O-N 3.15Å; N342-L344 PolarHBondContact O-N 2.86Å; N342-C375 VanDerWaalsContact OD1-CA 3.24Å; N342-C375 WeakPolarHBondContact OD1-CA 3.17Å; N342-C375 WeakPolarHBondContact OD1-CB 3.42Å
343D95.1Very high96.3Very high36 Ų3660.8 Ų60.819%0.19331%0.307CS..  trans-95.597.6-177.3-172.6-21.6000112.7R340 H341 A345 H346 L347R340-D343 HydrophobicContact CB-CB 3.61Å; R340-D343 IonicContact CZ-OD2 2.65Å; R340-D343 IonicContact NE-OD2 3.39Å; R340-D343 PolarHBondContact NE-OD2 2.81Å; R340-D343 IonicContact NH2-OD2 2.75Å; R340-D343 PolarHBondContact NH2-OD2 3.35Å; R340-D343 VanDerWaalsContact O-CB 3.3Å; R340-D343 WeakPolarHBondContact O-CB 3.22Å; R340-D343 PolarHBondContact O-N 2.82Å; H341-D343 PolarHBondContact O-N 2.84Å; D343-A345 VanDerWaalsContact C-N 3.32Å; D343-A345 PolarHBondContact O-N 2.6Å; D343-A345 WeakPolarHBondContact OD1-CA 3.18Å; D343-A345 WeakPolarHBondContact OD1-CB 3.37Å; D343-A345 PolarHBondContact OD1-N 2.8Å; D343-H346 HydrophobicContact CB-CB 4.16Å; D343-H346 PolarHBondContact O-N 2.96Å; D343-H346 PolarHBondContact OD1-N 2.92Å; D343-L347 PolarHBondContact O-N 3.41Å
344L96.3Very high96.2Very high51 Ų5158.3 Ų58.327%0.26728%0.282SS..Hα-helixtrans-60.9-35.6176-64.6167.4000113.2N342 L347 R348 P376 E379 M380 L383N342-L344 PolarHBondContact O-N 2.86Å; L344-L347 PolarHBondContact O-N 3.03Å; L344-R348 WeakPolarHBondContact O-CB 3.3Å; L344-R348 PolarHBondContact O-N 3.11Å; L344-P376 HydrophobicContact CD1-CB 4.13Å; L344-P376 HydrophobicContact CD1-CG 3.9Å; L344-P376 HydrophobicContact CD2-CG 4.18Å; L344-P376 HydrophobicContact CG-CG 3.96Å; L344-E379 HydrophobicContact CD1-CB 3.57Å; L344-E379 HydrophobicContact CD1-CG 4.32Å; L344-E379 HydrophobicContact CD2-CB 4.03Å; L344-E379 HydrophobicContact CG-CB 4.47Å; L344-M380 HydrophobicContact CD2-CB 4.09Å; L344-M380 HydrophobicContact CD2-CE 4.2Å; L344-M380 HydrophobicContact CD2-SD 3.89Å; L344-L383 HydrophobicContact CB-CD2 4.31Å; L344-L383 HydrophobicContact CD2-CD2 4.17Å; L344-L383 VanDerWaalsContact O-CD2 3.25Å; L344-L383 WeakPolarHBondContact O-CD2 3.46Å
345A97.8Very high95.9Very high70 Ų7060 Ų6058%0.57929%0.288SS*.Hα-helixtrans-70.6-41.5-177.500000111D343 R348 E349D343-A345 VanDerWaalsContact C-N 3.32Å; D343-A345 PolarHBondContact O-N 2.6Å; D343-A345 WeakPolarHBondContact OD1-CA 3.18Å; D343-A345 WeakPolarHBondContact OD1-CB 3.37Å; D343-A345 PolarHBondContact OD1-N 2.8Å; A345-R348 PolarHBondContact O-N 3.49Å; A345-E349 WeakPolarHBondContact O-CB 3.38Å; A345-E349 PolarHBondContact O-N 3.29Å
346H97.8Very high95.7Very high32 Ų3259.9 Ų59.915%0.14830%0.299CS..Hα-helixtrans-70.3-35.5173.9-169.3-154.9000112.2I338 F339 R340 D343 E349 L350I338-H346 PolarHBondContact O-CE1 3.15Å; F339-H346 WeakPolarHBondContact CA-ND1 3.36Å; R340-H346 PolarHBondContact N-ND1 2.68Å; D343-H346 HydrophobicContact CB-CB 4.16Å; D343-H346 PolarHBondContact O-N 2.96Å; D343-H346 PolarHBondContact OD1-N 2.92Å; H346-E349 IonicContact CD2-OE2 3.64Å; H346-E349 PolarHBondContact O-N 2.7Å; H346-L350 VanDerWaalsContact O-CG 3.31Å; H346-L350 WeakPolarHBondContact O-CG 3.39Å; H346-L350 PolarHBondContact O-N 3.42Å; H346-L350 VanDerWaalsContact O-N 3.1Å
347L98.3Very high95.5Very high0 Ų060.5 Ų60.50%031%0.311CS..Hα-helixtrans-60.8-46.3172.4175.758.1000111Y316 F339 D343 L344 L350 L351 V362 M380 L383Y316-L347 HydrophobicContact CD1-CD1 4.28Å; Y316-L347 HydrophobicContact CG-CD1 4.41Å; F339-L347 HydrophobicContact CB-CB 4.13Å; F339-L347 HydrophobicContact CD1-CB 4.43Å; F339-L347 HydrophobicContact CD1-CD1 3.74Å; F339-L347 HydrophobicContact CD2-CB 4.13Å; F339-L347 HydrophobicContact CE1-CD1 3.96Å; F339-L347 HydrophobicContact CE1-CD2 4.44Å; F339-L347 HydrophobicContact CG-CB 4.03Å; F339-L347 HydrophobicContact CG-CD1 4.2Å; F339-L347 HydrophobicContact CZ-CD2 4.33Å; D343-L347 PolarHBondContact O-N 3.41Å; L344-L347 PolarHBondContact O-N 3.03Å; L347-L350 PolarHBondContact O-N 2.89Å; L347-L351 HydrophobicContact CD1-CD1 3.78Å; L347-L351 HydrophobicContact CD1-CG 3.91Å; L347-L351 HydrophobicContact CD2-CD1 4.39Å; L347-L351 HydrophobicContact CG-CD1 3.75Å; L347-L351 HydrophobicContact CG-CG 4.33Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.18Å; L347-V362 HydrophobicContact CD1-CG1 4.23Å; L347-V362 HydrophobicContact CD1-CG2 4.4Å; L347-V362 HydrophobicContact CD2-CG1 3.79Å; L347-M380 HydrophobicContact CD2-CG 4.32Å; L347-M380 HydrophobicContact CD2-SD 3.38Å; L347-M380 WeakPolarHBondContact CD2-SD 3.27Å; L347-L383 HydrophobicContact CB-CD2 4.02Å; L347-L383 HydrophobicContact CD2-CD2 3.89Å; L347-L383 HydrophobicContact CD2-CG 4.32Å; L347-L383 HydrophobicContact CG-CD2 3.86Å; L347-L383 HydrophobicContact CG-CG 4.38Å
348R98.6Very high95.5Very high86 Ų8662.4 Ų62.433%0.32532%0.319SS..Hα-helixtrans-57.7-49.7175.1178.9175.7-71.4-81.1-1.3111.5L344 A345 L350 L351 E352 L383 E386 F387L344-R348 WeakPolarHBondContact O-CB 3.3Å; L344-R348 PolarHBondContact O-N 3.11Å; A345-R348 PolarHBondContact O-N 3.49Å; R348-L350 PolarHBondContact O-N 2.96Å; R348-L350 VanDerWaalsContact O-N 3.15Å; R348-L351 PolarHBondContact O-N 3.34Å; R348-L351 VanDerWaalsContact O-N 3.12Å; R348-E352 WeakPolarHBondContact CD-OE1 3.48Å; R348-E352 HydrophobicContact CG-CG 4.19Å; R348-E352 WeakPolarHBondContact CG-OE1 3.3Å; R348-E352 WeakPolarHBondContact O-CB 3.42Å; R348-E352 WeakPolarHBondContact O-CG 3.42Å; R348-E352 PolarHBondContact O-N 2.71Å; R348-L383 HydrophobicContact CB-CD1 3.89Å; R348-L383 HydrophobicContact CB-CD2 4.09Å; R348-L383 HydrophobicContact CG-CD1 4.21Å; R348-E386 IonicContact CZ-OE1 3.57Å; R348-E386 IonicContact CZ-OE2 3.63Å; R348-E386 IonicContact NH1-OE1 2.7Å; R348-E386 PolarHBondContact NH1-OE1 3.26Å; R348-E386 IonicContact NH1-OE2 3.85Å; R348-E386 PolarHBondContact NH1-OE2 3.31Å; R348-E386 IonicContact NH2-OE1 2.83Å; R348-E386 PolarHBondContact NH2-OE1 2.73Å; R348-E386 IonicContact NH2-OE2 3.91Å; R348-E386 PolarHBondContact NH2-OE2 3.49Å; R348-F387 HydrophobicContact CG-CE2 4.49Å; R348-F387 HydrophobicContact CG-CZ 4.47Å
349E98.3Very high95.6Very high84 Ų8459.6 Ų59.639%0.39331%0.307SS..Hα-helixtrans-56.5-32.1178.4-163.4-154144.200113.1A345 H346 K353A345-E349 WeakPolarHBondContact O-CB 3.38Å; A345-E349 PolarHBondContact O-N 3.29Å; H346-E349 IonicContact CD2-OE2 3.64Å; H346-E349 PolarHBondContact O-N 2.7Å; E349-K353 VanDerWaalsContact O-CD 3.25Å; E349-K353 WeakPolarHBondContact O-CD 3.45Å; E349-K353 WeakPolarHBondContact O-CE 3.28Å; E349-K353 WeakPolarHBondContact O-CG 3.31Å; E349-K353 IonicContact OE1-NZ 3.12Å; E349-K353 PolarHBondContact OE1-NZ 2.91Å
350L97.8Very high95.6Very high22 Ų2259.8 Ų59.812%0.11531%0.308CS..Hα-helixtrans-81.1-42176.6-68.1169.9000112Y316 F337 F339 H346 L347 R348 K353 G354Y316-L350 HydrophobicContact CD1-CB 4.04Å; Y316-L350 HydrophobicContact CE1-CB 4.02Å; F337-L350 HydrophobicContact CB-CD1 4.19Å; F337-L350 HydrophobicContact CB-CD2 4.4Å; F337-L350 HydrophobicContact CD1-CD2 4.33Å; F339-L350 HydrophobicContact CB-CD1 3.9Å; H346-L350 VanDerWaalsContact O-CG 3.31Å; H346-L350 WeakPolarHBondContact O-CG 3.39Å; H346-L350 PolarHBondContact O-N 3.42Å; H346-L350 VanDerWaalsContact O-N 3.1Å; L347-L350 PolarHBondContact O-N 2.89Å; R348-L350 PolarHBondContact O-N 2.96Å; R348-L350 VanDerWaalsContact O-N 3.15Å; L350-K353 PolarHBondContact O-N 3.07Å; L350-G354 PolarHBondContact O-N 2.66Å
351L97.9Very high95.8Very high2 Ų253.2 Ų53.21%0.0128%0.283CS..Hα-helixtrans-65.3-37.8178.3-73.8169000112.3Y316 L347 R348 K353 G354 K360 V362 L383 F387Y316-L351 HydrophobicContact CD1-CD2 3.84Å; Y316-L351 HydrophobicContact CD1-CG 4.14Å; Y316-L351 HydrophobicContact CD2-CD2 3.92Å; Y316-L351 HydrophobicContact CE1-CD2 3.8Å; Y316-L351 HydrophobicContact CE1-CG 4.19Å; Y316-L351 HydrophobicContact CE2-CD2 3.91Å; Y316-L351 HydrophobicContact CG-CD2 3.92Å; L347-L351 HydrophobicContact CD1-CD1 3.78Å; L347-L351 HydrophobicContact CD1-CG 3.91Å; L347-L351 HydrophobicContact CD2-CD1 4.39Å; L347-L351 HydrophobicContact CG-CD1 3.75Å; L347-L351 HydrophobicContact CG-CG 4.33Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.18Å; R348-L351 PolarHBondContact O-N 3.34Å; R348-L351 VanDerWaalsContact O-N 3.12Å; L351-K353 PolarHBondContact O-N 3.46Å; L351-G354 PolarHBondContact O-N 2.94Å; L351-K360 HydrophobicContact CD2-CD 4.19Å; L351-V362 HydrophobicContact CD2-CG2 4.4Å; L351-L383 HydrophobicContact CD1-CD1 4.28Å; L351-L383 HydrophobicContact CD1-CG 4.02Å; L351-F387 HydrophobicContact CB-CB 4.01Å; L351-F387 HydrophobicContact CB-CD1 3.85Å; L351-F387 HydrophobicContact CB-CD2 3.98Å; L351-F387 HydrophobicContact CB-CE1 4.33Å; L351-F387 HydrophobicContact CB-CE2 4.45Å; L351-F387 HydrophobicContact CB-CG 3.66Å; L351-F387 HydrophobicContact CD1-CB 4.2Å; L351-F387 HydrophobicContact CD1-CD2 4.02Å; L351-F387 HydrophobicContact CD1-CG 4.23Å; L351-F387 HydrophobicContact CD2-CB 4.11Å; L351-F387 HydrophobicContact CG-CB 4.34Å; L351-F387 HydrophobicContact CG-CG 4.41Å
352E97.4Very high96.1Very high114 Ų11450.9 Ų50.953%0.53327%0.273SS..THydrogen-bonded Turntrans-61.7-23.9174.5-74.6173.8178.800113.3R348 F387R348-E352 WeakPolarHBondContact CD-OE1 3.48Å; R348-E352 HydrophobicContact CG-CG 4.19Å; R348-E352 WeakPolarHBondContact CG-OE1 3.3Å; R348-E352 WeakPolarHBondContact O-CB 3.42Å; R348-E352 WeakPolarHBondContact O-CG 3.42Å; R348-E352 PolarHBondContact O-N 2.71Å; E352-F387 HydrophobicContact CB-CE1 4.3Å; E352-F387 HydrophobicContact CG-CE1 3.58Å; E352-F387 HydrophobicContact CG-CZ 3.53Å
353K95.1Very high96.4Very high129 Ų12949.6 Ų49.656%0.56127%0.265SS*.THydrogen-bonded Turntrans-92.9-4.6175.3-61.8168.5-166.71680112.9E349 L350 L351E349-K353 VanDerWaalsContact O-CD 3.25Å; E349-K353 WeakPolarHBondContact O-CD 3.45Å; E349-K353 WeakPolarHBondContact O-CE 3.28Å; E349-K353 WeakPolarHBondContact O-CG 3.31Å; E349-K353 IonicContact OE1-NZ 3.12Å; E349-K353 PolarHBondContact OE1-NZ 2.91Å; L350-K353 PolarHBondContact O-N 3.07Å; L351-K353 PolarHBondContact O-N 3.46Å
354G90.9Very high96.6Very high12 Ų1247.9 Ų47.912%0.12426%0.256CS..SBendtrans-76.9156.1177.100000112.4Y316 L350 L351 P356Y316-G354 WeakPolarHBondContact OH-CA 3.16Å; L350-G354 PolarHBondContact O-N 2.66Å; L351-G354 PolarHBondContact O-N 2.94Å; G354-P356 WeakPolarHBondContact O-CD 3.44Å
355D89.4Confident96.7Very high59 Ų5945.9 Ų45.932%0.31625%0.246SC..  trans-80.2117.7173.9173.7-9.4000109.1T357 K358 K360D355-T357 VanDerWaalsContact CG-OG1 3.27Å; D355-T357 PolarHBondContact O-N 2.9Å; D355-T357 VanDerWaalsContact O-N 3.12Å; D355-T357 WeakPolarHBondContact OD1-CB 3.26Å; D355-T357 PolarHBondContact OD1-N 2.93Å; D355-T357 PolarHBondContact OD1-OG1 3.23Å; D355-T357 PolarHBondContact OD2-OG1 2.66Å; D355-K358 HydrophobicContact CB-CB 4.4Å; D355-K358 HydrophobicContact CB-CG 3.68Å; D355-K358 PolarHBondContact O-N 2.87Å; D355-K358 VanDerWaalsContact OD2-CE 3.22Å; D355-K358 WeakPolarHBondContact OD2-CE 3.44Å; D355-K358 IonicContact OD2-NZ 2.66Å; D355-K360 WeakPolarHBondContact O-CE 3.46Å; D355-K360 PolarHBondContact O-NZ 3.12Å
356P90.8Very high96.7Very high113 Ų11342.6 Ų42.673%0.73422%0.218SC*.THydrogen-bonded Turntrans-61.5-23.5-177.325.5-34.3000112.6G354 K358 K360G354-P356 WeakPolarHBondContact O-CD 3.44Å; P356-K358 VanDerWaalsContact C-N 3.35Å; P356-K360 PolarHBondContact O-NZ 2.85Å
357T93.3Very high96.7Very high111 Ų11141.1 Ų41.168%0.68121%0.211SC*.THydrogen-bonded Turntrans-80.4-12.4178.5740000113.9D355D355-T357 VanDerWaalsContact CG-OG1 3.27Å; D355-T357 PolarHBondContact O-N 2.9Å; D355-T357 VanDerWaalsContact O-N 3.12Å; D355-T357 WeakPolarHBondContact OD1-CB 3.26Å; D355-T357 PolarHBondContact OD1-N 2.93Å; D355-T357 PolarHBondContact OD1-OG1 3.23Å; D355-T357 PolarHBondContact OD2-OG1 2.66Å
358K96.1Very high96.6Very high80 Ų8042 Ų4235%0.34822%0.216SC..SBendtrans-85.6142.3178-60.3-59.5175.1-154.50111.6E314 D355 P356 K360E314-K358 HydrophobicContact CG-CB 4.43Å; D355-K358 HydrophobicContact CB-CB 4.4Å; D355-K358 HydrophobicContact CB-CG 3.68Å; D355-K358 PolarHBondContact O-N 2.87Å; D355-K358 VanDerWaalsContact OD2-CE 3.22Å; D355-K358 WeakPolarHBondContact OD2-CE 3.44Å; D355-K358 IonicContact OD2-NZ 2.66Å; P356-K358 VanDerWaalsContact C-N 3.35Å; K358-K360 WeakPolarHBondContact O-CG 3.45Å; K358-K360 PolarHBondContact O-NZ 3.05Å
359P98.3Very high96.2Very high35 Ų3538.2 Ų38.223%0.22720%0.202CC..  trans-65.4138.1166.628.1-31.3000109.5L310 P311 C313 E314L310-P359 HydrophobicContact CB-CB 4.12Å; L310-P359 HydrophobicContact CB-CG 3.81Å; L310-P359 HydrophobicContact CD1-CB 4.36Å; L310-P359 HydrophobicContact CD2-CB 4.17Å; L310-P359 HydrophobicContact CD2-CG 4.5Å; L310-P359 HydrophobicContact CG-CB 4.45Å; P311-P359 WeakPolarHBondContact O-CD 3.45Å; C313-P359 WeakPolarHBondContact CA-O 3.42Å; E314-P359 PolarHBondContact N-O 3.14Å
360K98.6Very high95.8Very high5 Ų535.7 Ų35.72%0.02219%0.191CC..EExtended strand (participates in β ladder)trans-130.1146.1-176.7-54.5175.5-163.968.60110.3E314 Y316 L351 D355 P356 K358 F387 A389 I390E314-K360 HydrophobicContact CB-CG 4.32Å; E314-K360 CarbonylContact O-C 3.49Å; E314-K360 VanDerWaalsContact O-CA 3.23Å; E314-K360 WeakPolarHBondContact O-CA 3.4Å; Y316-K360 HydrophobicContact CD2-CB 4.26Å; Y316-K360 HydrophobicContact CE2-CB 3.96Å; Y316-K360 HydrophobicContact CE2-CD 3.83Å; Y316-K360 HydrophobicContact CE2-CG 3.91Å; L351-K360 HydrophobicContact CD2-CD 4.19Å; D355-K360 WeakPolarHBondContact O-CE 3.46Å; D355-K360 PolarHBondContact O-NZ 3.12Å; P356-K360 PolarHBondContact O-NZ 2.85Å; K358-K360 WeakPolarHBondContact O-CG 3.45Å; K358-K360 PolarHBondContact O-NZ 3.05Å; K360-F387 PolarHBondContact NZ-O 2.96Å; K360-A389 HydrophobicContact CB-CB 3.51Å; K360-A389 HydrophobicContact CD-CB 4.48Å; K360-A389 WeakPolarHBondContact O-CA 3.35Å; K360-I390 PolarHBondContact O-N 3.03Å
361I98.9Very high95.3Very high0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-123.7123.1170.4-49.7-178.2000108.8L303 L306 L310 E314 I315 Y316 I390 F392L303-I361 HydrophobicContact CD2-CG2 4.33Å; L306-I361 HydrophobicContact CB-CD1 3.88Å; L306-I361 HydrophobicContact CD1-CD1 4.49Å; L310-I361 HydrophobicContact CD1-CD1 4.26Å; E314-I361 PolarHBondContact O-N 3.43Å; I315-I361 WeakPolarHBondContact CA-O 3.38Å; I315-I361 HydrophobicContact CD1-CB 3.75Å; I315-I361 HydrophobicContact CD1-CD1 3.85Å; I315-I361 HydrophobicContact CD1-CG1 3.88Å; Y316-I361 PolarHBondContact N-O 3.12Å; I361-I390 CarbonylContact C-O 3.48Å; I361-I390 VanDerWaalsContact CA-O 3.31Å; I361-I390 WeakPolarHBondContact CA-O 3.24Å; I361-I390 HydrophobicContact CB-CG1 4.42Å; I361-I390 HydrophobicContact CD1-CD1 4.48Å; I361-I390 HydrophobicContact CG1-CD1 4.18Å; I361-I390 HydrophobicContact CG1-CG1 3.92Å; I361-I390 HydrophobicContact CG2-CG1 4.4Å; I361-F392 HydrophobicContact CG2-CB 3.77Å
362V98.9Very high94.8Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-94.4119.8168-1770000108.1Y316 F339 L347 L351 F364 A384 A389 I390 T391 F392Y316-V362 CarbonylContact O-C 3.43Å; Y316-V362 WeakPolarHBondContact O-CA 3.48Å; F339-V362 HydrophobicContact CE1-CG1 4.1Å; F339-V362 HydrophobicContact CZ-CG1 4.27Å; L347-V362 HydrophobicContact CD1-CG1 4.23Å; L347-V362 HydrophobicContact CD1-CG2 4.4Å; L347-V362 HydrophobicContact CD2-CG1 3.79Å; L351-V362 HydrophobicContact CD2-CG2 4.4Å; V362-F364 HydrophobicContact CG1-CD1 4Å; V362-F364 HydrophobicContact CG1-CE1 4.18Å; V362-A384 HydrophobicContact CB-CB 3.93Å; V362-A384 HydrophobicContact CG1-CB 4.49Å; V362-A384 HydrophobicContact CG2-CB 3.6Å; V362-A389 HydrophobicContact CG2-CB 3.76Å; V362-I390 PolarHBondContact N-O 2.89Å; V362-T391 WeakPolarHBondContact O-CA 3.34Å; V362-F392 PolarHBondContact O-N 2.72Å
363A98.9Very high94.5Very high0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans-119.7125.1-173.700000112L303 Y316 D318 N321 I329 F392L303-A363 HydrophobicContact CD2-CB 4.32Å; Y316-A363 PolarHBondContact O-N 2.93Å; D318-A363 PolarHBondContact N-O 2.94Å; N321-A363 PolarHBondContact ND2-O 2.94Å; I329-A363 HydrophobicContact CD1-CB 4.38Å; A363-F392 VanDerWaalsContact CA-O 3.32Å; A363-F392 WeakPolarHBondContact CA-O 3.43Å; A363-F392 HydrophobicContact CB-CB 4.17Å; A363-F392 HydrophobicContact CB-CD1 4.44Å
364F98.8Very high94.4Very high0 Ų025.3 Ų25.30%015%0.146CC..EExtended strand (participates in β ladder)trans-156.1162.3-176.958.4-81.2000113.1D318 N321 F339 V362 C375 L377 M380 T391 F392 V393 D394D318-F364 HydrophobicContact CB-CB 3.97Å; N321-F364 VanDerWaalsContact OD1-CA 3.27Å; N321-F364 WeakPolarHBondContact OD1-CA 3.26Å; F339-F364 HydrophobicContact CZ-CB 4.37Å; V362-F364 HydrophobicContact CG1-CD1 4Å; V362-F364 HydrophobicContact CG1-CE1 4.18Å; F364-C375 HydrophobicContact CD2-CB 4.26Å; F364-L377 HydrophobicContact CE2-CD1 3.7Å; F364-L377 HydrophobicContact CZ-CD1 4.01Å; F364-M380 HydrophobicContact CD1-CG 3.76Å; F364-M380 HydrophobicContact CD2-CG 4.11Å; F364-M380 HydrophobicContact CE1-CB 4.27Å; F364-M380 HydrophobicContact CE1-CG 3.44Å; F364-M380 VanDerWaalsContact CE1-CG 3.44Å; F364-M380 HydrophobicContact CE2-CB 4.1Å; F364-M380 HydrophobicContact CE2-CG 3.82Å; F364-M380 HydrophobicContact CG-CG 4.08Å; F364-M380 HydrophobicContact CZ-CB 3.83Å; F364-M380 HydrophobicContact CZ-CG 3.47Å; F364-M380 VanDerWaalsContact CZ-CG 3.47Å; F364-T391 HydrophobicContact CE1-CG2 4.39Å; F364-F392 PolarHBondContact N-O 3.06Å; F364-F392 VanDerWaalsContact N-O 3.13Å; F364-V393 HydrophobicContact CD2-CG1 4.47Å; F364-V393 HydrophobicContact CE1-CG2 3.95Å; F364-V393 HydrophobicContact CE2-CG1 3.98Å; F364-V393 HydrophobicContact CE2-CG2 4.16Å; F364-V393 HydrophobicContact CZ-CG1 4.3Å; F364-V393 HydrophobicContact CZ-CG2 3.64Å; F364-D394 PolarHBondContact O-N 2.99Å
365E98.6Very high94.6Very high10 Ų1025 Ų255%0.04714%0.142CC..EExtended strand (participates in β ladder)trans-92.2146.3170.2-63.8-179.8-140.900110.9H322 M325 H368 S369 D394H322-E365 WeakPolarHBondContact CA-OE1 3.19Å; H322-E365 WeakPolarHBondContact CB-OE1 3.32Å; H322-E365 PolarHBondContact N-OE1 3.25Å; M325-E365 HydrophobicContact CE-CG 3.49Å; M325-E365 VanDerWaalsContact CE-CG 3.49Å; E365-H368 IonicContact OE1-CD2 2.6Å; E365-H368 WeakPolarHBondContact OE2-CA 3.42Å; E365-H368 IonicContact OE2-CD2 3.64Å; E365-H368 PolarHBondContact OE2-CD2 3.45Å; E365-S369 PolarHBondContact OE2-N 3.17Å; E365-D394 WeakPolarHBondContact CA-O 3.4Å; E365-D394 HydrophobicContact CG-CB 4.13Å
366T98.3Very high94.9Very high0 Ų023.8 Ų23.80%014%0.137CC..SBendtrans-79-55.3171.962.90000112.2V374 C375 L377 V393 D394 E395 I409 M419T366-V374 CarbonylContact O-C 3.38Å; T366-V374 WeakPolarHBondContact O-CA 3.35Å; T366-C375 PolarHBondContact O-N 3.09Å; T366-L377 HydrophobicContact CG2-CD1 4.25Å; T366-V393 HydrophobicContact CG2-CG1 3.28Å; T366-D394 PolarHBondContact N-O 3.16Å; T366-E395 VanDerWaalsContact CB-OE2 3.31Å; T366-E395 WeakPolarHBondContact CB-OE2 3.48Å; T366-E395 VanDerWaalsContact CG2-CD 3.47Å; T366-E395 HydrophobicContact CG2-CG 3.82Å; T366-E395 VanDerWaalsContact CG2-OE2 3.31Å; T366-E395 WeakPolarHBondContact CG2-OE2 3.45Å; T366-E395 PolarHBondContact OG1-OE2 2.92Å; T366-I409 HydrophobicContact CG2-CB 4.28Å; T366-M419 HydrophobicContact CG2-CE 4.45Å
367V98Very high95.2Very high1 Ų118.5 Ų18.51%0.00610%0.103CC..BIsolated β-bridgetrans-106.6107.4170.8176.50000107S369 A373 V374 H397 A398 Y402 I409 I512V367-S369 PolarHBondContact O-N 3.11Å; V367-A373 WeakPolarHBondContact CA-O 3.22Å; V367-V374 HydrophobicContact CG2-CG2 4.11Å; V367-H397 HydrophobicContact CB-CB 3.78Å; V367-H397 HydrophobicContact CG1-CB 3.8Å; V367-H397 VanDerWaalsContact O-CB 3.3Å; V367-H397 WeakPolarHBondContact O-CB 3.46Å; V367-A398 HydrophobicContact CB-CB 4.49Å; V367-A398 HydrophobicContact CG2-CB 3.82Å; V367-Y402 HydrophobicContact CG2-CD2 4.3Å; V367-Y402 HydrophobicContact CG2-CE2 3.78Å; V367-I409 HydrophobicContact CG2-CD1 3.88Å; V367-I409 HydrophobicContact CG2-CG1 3.85Å; V367-I512 HydrophobicContact CG1-CD1 4.08Å
368H95.8Very high95.4Very high20 Ų2017.2 Ų17.29%0.0939%0.089CC..  trans-68.5134.1-176.3173.6-129.2000111.5G320 H341 E365 M370 D371 G372 A373 I512G320-H368 PolarHBondContact O-NE2 3.14Å; H341-H368 AromaticContact NE2-ND1 3.92Å; E365-H368 IonicContact OE1-CD2 2.6Å; E365-H368 WeakPolarHBondContact OE2-CA 3.42Å; E365-H368 IonicContact OE2-CD2 3.64Å; E365-H368 PolarHBondContact OE2-CD2 3.45Å; H368-M370 VanDerWaalsContact C-N 3.29Å; H368-M370 PolarHBondContact O-N 2.82Å; H368-M370 VanDerWaalsContact O-N 3.14Å; H368-D371 IonicContact CE1-OD1 2.75Å; H368-D371 IonicContact CE1-OD2 2.88Å; H368-D371 PolarHBondContact CE1-OD2 3.13Å; H368-D371 IonicContact CG-OD1 3.13Å; H368-D371 IonicContact ND1-OD1 3.79Å; H368-D371 PolarHBondContact ND1-OD1 2.81Å; H368-D371 IonicContact ND1-OD2 3.83Å; H368-D371 PolarHBondContact ND1-OD2 2.89Å; H368-G372 PolarHBondContact O-N 2.95Å; H368-A373 HydrophobicContact CB-CB 4.49Å; H368-A373 PolarHBondContact N-O 2.94Å; H368-I512 WeakPolarHBondContact O-CD1 3.15Å
369S89.6Confident95.5Very high6 Ų618.2 Ų18.24%0.04210%0.095CC..THydrogen-bonded Turntrans-58.1-29.1-167.869.20000116.5E365 V367 H397 R554E365-S369 PolarHBondContact OE2-N 3.17Å; V367-S369 PolarHBondContact O-N 3.11Å; S369-H397 WeakPolarHBondContact CB-NE2 3.03Å; S369-R554 PolarHBondContact O-NE 3.41Å; S369-R554 PolarHBondContact O-NH2 3.04Å
370M90.4Very high95.5Very high30 Ų3016.5 Ų16.515%0.1488%0.084CC..THydrogen-bonded Turntrans-114-48.9-169.6-66.9-58128.700115.6H368 P514 I541 T545 V546H368-M370 VanDerWaalsContact C-N 3.29Å; H368-M370 PolarHBondContact O-N 2.82Å; H368-M370 VanDerWaalsContact O-N 3.14Å; M370-P514 WeakPolarHBondContact O-CG 3.09Å; M370-I541 HydrophobicContact SD-CG2 3.92Å; M370-T545 HydrophobicContact CE-CG2 3.85Å; M370-T545 HydrophobicContact CG-CG2 4.08Å; M370-T545 HydrophobicContact SD-CG2 3.56Å; M370-T545 VanDerWaalsContact SD-CG2 3.56Å; M370-V546 HydrophobicContact CB-CG1 3.99Å; M370-V546 HydrophobicContact CG-CG1 4.01Å
371D87.3Confident95.5Very high27 Ų2716.3 Ų16.314%0.1448%0.083CC..THydrogen-bonded Turntrans-88.6-7.8-179.460.128.7000113.7H341 H368 A373 C508 P514 F594H341-D371 IonicContact CD2-OD2 3.12Å; H341-D371 IonicContact NE2-OD2 2.91Å; H368-D371 IonicContact CE1-OD1 2.75Å; H368-D371 IonicContact CE1-OD2 2.88Å; H368-D371 PolarHBondContact CE1-OD2 3.13Å; H368-D371 IonicContact CG-OD1 3.13Å; H368-D371 IonicContact ND1-OD1 3.79Å; H368-D371 PolarHBondContact ND1-OD1 2.81Å; H368-D371 IonicContact ND1-OD2 3.83Å; H368-D371 PolarHBondContact ND1-OD2 2.89Å; D371-A373 VanDerWaalsContact C-N 3.26Å; D371-A373 PolarHBondContact O-N 2.94Å; D371-A373 VanDerWaalsContact OD1-CB 3.25Å; D371-A373 WeakPolarHBondContact OD1-CB 3.3Å; D371-A373 PolarHBondContact OD1-N 2.88Å; D371-C508 WeakPolarHBondContact O-CB 3.38Å; D371-C508 PolarHBondContact O-SG 2.82Å; D371-P514 WeakPolarHBondContact O-CG 3.17Å; D371-F594 HydrophobicContact CB-CE2 3.98Å; D371-F594 HydrophobicContact CB-CZ 3.59Å; D371-F594 VanDerWaalsContact CG-CZ 3.46Å
372G88.2Confident95.5Very high0 Ų019.5 Ų19.50%010%0.1CC..  trans71.213.2178.100000115.1H368 C508 S510H368-G372 PolarHBondContact O-N 2.95Å; G372-C508 VanDerWaalsContact C-CB 3.49Å; G372-C508 WeakPolarHBondContact O-CB 3.32Å; G372-S510 VanDerWaalsContact C-OG 3.32Å; G372-S510 WeakPolarHBondContact CA-OG 3.41Å; G372-S510 WeakPolarHBondContact O-CB 3.25Å; G372-S510 PolarHBondContact O-N 3.42Å; G372-S510 PolarHBondContact O-OG 3.12Å
373A90.1Very high95.5Very high1 Ų119.9 Ų19.91%0.00810%0.102CC..  trans-58.2155.6171.500000111.5V367 H368 D371 F594V367-A373 WeakPolarHBondContact CA-O 3.22Å; H368-A373 HydrophobicContact CB-CB 4.49Å; H368-A373 PolarHBondContact N-O 2.94Å; D371-A373 VanDerWaalsContact C-N 3.26Å; D371-A373 PolarHBondContact O-N 2.94Å; D371-A373 VanDerWaalsContact OD1-CB 3.25Å; D371-A373 WeakPolarHBondContact OD1-CB 3.3Å; D371-A373 PolarHBondContact OD1-N 2.88Å; A373-F594 HydrophobicContact CB-CB 4.4Å; A373-F594 HydrophobicContact CB-CD1 4.16Å; A373-F594 HydrophobicContact CB-CD2 3.93Å; A373-F594 HydrophobicContact CB-CE1 4.45Å; A373-F594 HydrophobicContact CB-CE2 4.23Å; A373-F594 HydrophobicContact CB-CG 3.89Å; A373-F594 HydrophobicContact CB-CZ 4.49Å
374V94.5Very high95.5Very high22 Ų2219.9 Ų19.913%0.13310%0.102CC..BIsolated β-bridgetrans-122.7129.61701780000108T366 V367 I409 P509T366-V374 CarbonylContact O-C 3.38Å; T366-V374 WeakPolarHBondContact O-CA 3.35Å; V367-V374 HydrophobicContact CG2-CG2 4.11Å; V374-I409 HydrophobicContact CG1-CD1 4.05Å; V374-I409 HydrophobicContact CG1-CG1 4.25Å; V374-I409 HydrophobicContact CG1-CG2 4.28Å; V374-P509 HydrophobicContact CB-CG 3.91Å; V374-P509 HydrophobicContact CG2-CG 3.85Å
375C94.4Very high95.5Very high6 Ų623.3 Ų23.34%0.04112%0.118CC..  trans-69.2153.1-177.473.40000112.5N342 F364 T366 L377N342-C375 VanDerWaalsContact OD1-CA 3.24Å; N342-C375 WeakPolarHBondContact OD1-CA 3.17Å; N342-C375 WeakPolarHBondContact OD1-CB 3.42Å; F364-C375 HydrophobicContact CD2-CB 4.26Å; T366-C375 PolarHBondContact O-N 3.09Å; C375-L377 PolarHBondContact O-N 3.21Å
376P95.3Very high95.4Very high32 Ų3228.4 Ų28.421%0.20814%0.142CC..  trans-71.479.4163.231.5-33.5000109L344 E379 M380L344-P376 HydrophobicContact CD1-CB 4.13Å; L344-P376 HydrophobicContact CD1-CG 3.9Å; L344-P376 HydrophobicContact CD2-CG 4.18Å; L344-P376 HydrophobicContact CG-CG 3.96Å; P376-E379 WeakPolarHBondContact CA-OE2 3.14Å; P376-E379 HydrophobicContact CB-CB 4.42Å; P376-E379 WeakPolarHBondContact CB-OE2 3.49Å; P376-M380 HydrophobicContact CG-CE 4.25Å; P376-M380 WeakPolarHBondContact O-CB 3.39Å; P376-M380 PolarHBondContact O-N 3.44Å
377L97.1Very high95.4Very high2 Ų230.6 Ų30.61%0.0115%0.151CC..Hα-helixtrans-63.2-45.6-165.4175.860.5000112.7F364 T366 C375 C381 V393 I409 V415 M419F364-L377 HydrophobicContact CE2-CD1 3.7Å; F364-L377 HydrophobicContact CZ-CD1 4.01Å; T366-L377 HydrophobicContact CG2-CD1 4.25Å; C375-L377 PolarHBondContact O-N 3.21Å; L377-C381 PolarHBondContact O-N 2.85Å; L377-C381 VanDerWaalsContact O-N 3.08Å; L377-C381 PolarHBondContact O-SG 3.04Å; L377-V393 HydrophobicContact CD1-CG1 3.98Å; L377-I409 HydrophobicContact CB-CG2 4.24Å; L377-I409 HydrophobicContact CD2-CB 4.17Å; L377-I409 HydrophobicContact CD2-CG2 3.77Å; L377-V415 HydrophobicContact CD2-CG2 3.75Å; L377-V415 HydrophobicContact CG-CG2 3.94Å; L377-M419 HydrophobicContact CD1-CG 4.25Å; L377-M419 HydrophobicContact CD2-SD 4.05Å
378E98.1Very high95.4Very high85 Ų8533.3 Ų33.340%0.39718%0.18SC..Hα-helixtrans-64.3-48.5-177.3177.4154.2-138.900110.6M380 C381 D382 V415 K418E378-M380 VanDerWaalsContact C-N 3.35Å; E378-M380 PolarHBondContact O-N 3.43Å; E378-C381 PolarHBondContact O-N 3.17Å; E378-D382 WeakPolarHBondContact O-CB 3.46Å; E378-D382 PolarHBondContact O-N 2.72Å; E378-V415 HydrophobicContact CB-CG1 4.1Å; E378-V415 HydrophobicContact CG-CG1 4.08Å; E378-K418 HydrophobicContact CG-CD 4.34Å; E378-K418 IonicContact OE1-NZ 3.32Å; E378-K418 PolarHBondContact OE1-NZ 3.29Å
379E98.2Very high95.6Very high100 Ų10032.5 Ų32.547%0.46718%0.176SC..Hα-helixtrans-67.6-34.8-178.7-53.394.4142.100112.1L344 P376 L383L344-E379 HydrophobicContact CD1-CB 3.57Å; L344-E379 HydrophobicContact CD1-CG 4.32Å; L344-E379 HydrophobicContact CD2-CB 4.03Å; L344-E379 HydrophobicContact CG-CB 4.47Å; P376-E379 WeakPolarHBondContact CA-OE2 3.14Å; P376-E379 HydrophobicContact CB-CB 4.42Å; P376-E379 WeakPolarHBondContact CB-OE2 3.49Å; E379-L383 WeakPolarHBondContact O-CB 3.45Å; E379-L383 PolarHBondContact O-N 3.36Å
380M98.1Very high96Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-67.8-39.6176-164.67972.200111.4F339 L344 L347 F364 P376 E378 A384F339-M380 HydrophobicContact CE2-CE 3.95Å; F339-M380 HydrophobicContact CE2-SD 3.86Å; F339-M380 HydrophobicContact CZ-CE 4.49Å; F339-M380 HydrophobicContact CZ-SD 4.02Å; L344-M380 HydrophobicContact CD2-CB 4.09Å; L344-M380 HydrophobicContact CD2-CE 4.2Å; L344-M380 HydrophobicContact CD2-SD 3.89Å; L347-M380 HydrophobicContact CD2-CG 4.32Å; L347-M380 HydrophobicContact CD2-SD 3.38Å; L347-M380 WeakPolarHBondContact CD2-SD 3.27Å; F364-M380 HydrophobicContact CD1-CG 3.76Å; F364-M380 HydrophobicContact CD2-CG 4.11Å; F364-M380 HydrophobicContact CE1-CB 4.27Å; F364-M380 HydrophobicContact CE1-CG 3.44Å; F364-M380 VanDerWaalsContact CE1-CG 3.44Å; F364-M380 HydrophobicContact CE2-CB 4.1Å; F364-M380 HydrophobicContact CE2-CG 3.82Å; F364-M380 HydrophobicContact CG-CG 4.08Å; F364-M380 HydrophobicContact CZ-CB 3.83Å; F364-M380 HydrophobicContact CZ-CG 3.47Å; F364-M380 VanDerWaalsContact CZ-CG 3.47Å; P376-M380 HydrophobicContact CG-CE 4.25Å; P376-M380 WeakPolarHBondContact O-CB 3.39Å; P376-M380 PolarHBondContact O-N 3.44Å; E378-M380 VanDerWaalsContact C-N 3.35Å; E378-M380 PolarHBondContact O-N 3.43Å; M380-A384 WeakPolarHBondContact O-CB 3.2Å; M380-A384 PolarHBondContact O-N 3.45Å; M380-A384 VanDerWaalsContact O-N 3.09Å
381C98.8Very high96.4Very high0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-70.8-47175.3-68.20000111.9L377 E378 L383 A384 H385 T391 K418L377-C381 PolarHBondContact O-N 2.85Å; L377-C381 VanDerWaalsContact O-N 3.08Å; L377-C381 PolarHBondContact O-SG 3.04Å; E378-C381 PolarHBondContact O-N 3.17Å; C381-L383 VanDerWaalsContact C-N 3.31Å; C381-L383 PolarHBondContact O-N 2.92Å; C381-A384 WeakPolarHBondContact O-CB 3.35Å; C381-A384 PolarHBondContact O-N 3.06Å; C381-A384 VanDerWaalsContact O-N 3.1Å; C381-H385 PolarHBondContact O-N 3.01Å; C381-T391 HydrophobicContact CB-CG2 4.26Å; C381-K418 HydrophobicContact CB-CB 3.77Å; C381-K418 HydrophobicContact CB-CD 4.48Å
382D98.7Very high97Very high68 Ų6832 Ų3236%0.36417%0.173SC..Hα-helixtrans-60.1-42.3179-74.5-16.8000111.4E378 H385 E386 K418E378-D382 WeakPolarHBondContact O-CB 3.46Å; E378-D382 PolarHBondContact O-N 2.72Å; D382-H385 PolarHBondContact O-N 2.97Å; D382-E386 WeakPolarHBondContact O-CB 3.32Å; D382-E386 PolarHBondContact O-N 3.22Å; D382-K418 VanDerWaalsContact OD1-CD 3.31Å; D382-K418 WeakPolarHBondContact OD1-CD 3.47Å; D382-K418 WeakPolarHBondContact OD1-CE 3.13Å; D382-K418 IonicContact OD1-NZ 2.8Å; D382-K418 PolarHBondContact OD1-NZ 3.08Å; D382-K418 IonicContact OD2-NZ 3.32Å; D382-K418 PolarHBondContact OD2-NZ 3.46Å
383L98.6Very high97.5Very high8 Ų832 Ų324%0.04217%0.173CC..Hα-helixtrans-65.2-37.8174.217758.9000112.7L344 L347 R348 L351 E379 C381 F387L344-L383 HydrophobicContact CB-CD2 4.31Å; L344-L383 HydrophobicContact CD2-CD2 4.17Å; L344-L383 VanDerWaalsContact O-CD2 3.25Å; L344-L383 WeakPolarHBondContact O-CD2 3.46Å; L347-L383 HydrophobicContact CB-CD2 4.02Å; L347-L383 HydrophobicContact CD2-CD2 3.89Å; L347-L383 HydrophobicContact CD2-CG 4.32Å; L347-L383 HydrophobicContact CG-CD2 3.86Å; L347-L383 HydrophobicContact CG-CG 4.38Å; R348-L383 HydrophobicContact CB-CD1 3.89Å; R348-L383 HydrophobicContact CB-CD2 4.09Å; R348-L383 HydrophobicContact CG-CD1 4.21Å; L351-L383 HydrophobicContact CD1-CD1 4.28Å; L351-L383 HydrophobicContact CD1-CG 4.02Å; E379-L383 WeakPolarHBondContact O-CB 3.45Å; E379-L383 PolarHBondContact O-N 3.36Å; C381-L383 VanDerWaalsContact C-N 3.31Å; C381-L383 PolarHBondContact O-N 2.92Å; L383-F387 HydrophobicContact CD1-CD2 3.94Å; L383-F387 HydrophobicContact CD1-CE2 3.7Å; L383-F387 WeakPolarHBondContact O-CD2 3.48Å
384A98.6Very high97.9Very high0 Ų032.2 Ų32.20%017%0.174CC..Hα-helixtrans-63.7-45.7174.300000111.3V362 M380 C381 F387 G388 A389 T391V362-A384 HydrophobicContact CB-CB 3.93Å; V362-A384 HydrophobicContact CG1-CB 4.49Å; V362-A384 HydrophobicContact CG2-CB 3.6Å; M380-A384 WeakPolarHBondContact O-CB 3.2Å; M380-A384 PolarHBondContact O-N 3.45Å; M380-A384 VanDerWaalsContact O-N 3.09Å; C381-A384 WeakPolarHBondContact O-CB 3.35Å; C381-A384 PolarHBondContact O-N 3.06Å; C381-A384 VanDerWaalsContact O-N 3.1Å; A384-F387 PolarHBondContact O-N 2.93Å; A384-G388 PolarHBondContact O-N 2.94Å; A384-A389 HydrophobicContact CB-CB 4.29Å; A384-A389 WeakPolarHBondContact O-CB 3.23Å; A384-A389 PolarHBondContact O-N 2.89Å; A384-T391 HydrophobicContact CB-CG2 3.57Å
385H98.6Very high98.1Very high72 Ų7231.2 Ų31.233%0.33317%0.168SC..Hα-helixtrans-68.3-36.8-179.1-67.3166.4000112.9C381 D382 F387 G388 A389 K418 D420C381-H385 PolarHBondContact O-N 3.01Å; D382-H385 PolarHBondContact O-N 2.97Å; H385-F387 PolarHBondContact O-N 2.86Å; H385-G388 PolarHBondContact O-N 3.46Å; H385-A389 PolarHBondContact CD2-O 3.48Å; H385-K418 PolarHBondContact CE1-O 3.3Å; H385-D420 IonicContact CD2-OD2 2.71Å; H385-D420 IonicContact CE1-OD2 3.46Å; H385-D420 IonicContact NE2-OD1 3.59Å; H385-D420 IonicContact NE2-OD2 1.75Å; H385-D420 PolarHBondContact NE2-OD2 3.39Å
386E98.1Very high98.3Very high117 Ų11731.5 Ų31.555%0.54717%0.17SC..Hα-helixtrans-52.7-37.7174.1-174.8-174.1152.700112.3R348 D382R348-E386 IonicContact CZ-OE1 3.57Å; R348-E386 IonicContact CZ-OE2 3.63Å; R348-E386 IonicContact NH1-OE1 2.7Å; R348-E386 PolarHBondContact NH1-OE1 3.26Å; R348-E386 IonicContact NH1-OE2 3.85Å; R348-E386 PolarHBondContact NH1-OE2 3.31Å; R348-E386 IonicContact NH2-OE1 2.83Å; R348-E386 PolarHBondContact NH2-OE1 2.73Å; R348-E386 IonicContact NH2-OE2 3.91Å; R348-E386 PolarHBondContact NH2-OE2 3.49Å; D382-E386 WeakPolarHBondContact O-CB 3.32Å; D382-E386 PolarHBondContact O-N 3.22Å
387F98.2Very high98.5Very high45 Ų4530.3 Ų30.320%0.19716%0.161CC..THydrogen-bonded Turntrans-99.113.2-179.5-70.6-93.6000114.1R348 L351 E352 K360 L383 A384 H385 A389R348-F387 HydrophobicContact CG-CE2 4.49Å; R348-F387 HydrophobicContact CG-CZ 4.47Å; L351-F387 HydrophobicContact CB-CB 4.01Å; L351-F387 HydrophobicContact CB-CD1 3.85Å; L351-F387 HydrophobicContact CB-CD2 3.98Å; L351-F387 HydrophobicContact CB-CE1 4.33Å; L351-F387 HydrophobicContact CB-CE2 4.45Å; L351-F387 HydrophobicContact CB-CG 3.66Å; L351-F387 HydrophobicContact CD1-CB 4.2Å; L351-F387 HydrophobicContact CD1-CD2 4.02Å; L351-F387 HydrophobicContact CD1-CG 4.23Å; L351-F387 HydrophobicContact CD2-CB 4.11Å; L351-F387 HydrophobicContact CG-CB 4.34Å; L351-F387 HydrophobicContact CG-CG 4.41Å; E352-F387 HydrophobicContact CB-CE1 4.3Å; E352-F387 HydrophobicContact CG-CE1 3.58Å; E352-F387 HydrophobicContact CG-CZ 3.53Å; K360-F387 PolarHBondContact NZ-O 2.96Å; L383-F387 HydrophobicContact CD1-CD2 3.94Å; L383-F387 HydrophobicContact CD1-CE2 3.7Å; L383-F387 WeakPolarHBondContact O-CD2 3.48Å; A384-F387 PolarHBondContact O-N 2.93Å; H385-F387 PolarHBondContact O-N 2.86Å; F387-A389 VanDerWaalsContact C-N 3.32Å; F387-A389 PolarHBondContact O-N 2.99Å
388G97.8Very high98.6Very high58 Ų5830.2 Ų30.260%0.59816%0.161SC*.THydrogen-bonded Turntrans67.727.6177.800000114.2A384 H385A384-G388 PolarHBondContact O-N 2.94Å; H385-G388 PolarHBondContact O-N 3.46Å
389A98.6Very high98.6Very high3 Ų326.2 Ų26.23%0.02514%0.142CC..EExtended strand (participates in β ladder)trans-92.8147.9172.400000111.2K360 V362 A384 H385 F387K360-A389 HydrophobicContact CB-CB 3.51Å; K360-A389 HydrophobicContact CD-CB 4.48Å; K360-A389 WeakPolarHBondContact O-CA 3.35Å; V362-A389 HydrophobicContact CG2-CB 3.76Å; A384-A389 HydrophobicContact CB-CB 4.29Å; A384-A389 WeakPolarHBondContact O-CB 3.23Å; A384-A389 PolarHBondContact O-N 2.89Å; H385-A389 PolarHBondContact CD2-O 3.48Å; F387-A389 VanDerWaalsContact C-N 3.32Å; F387-A389 PolarHBondContact O-N 2.99Å
390I98.8Very high98.6Very high52 Ų5221.4 Ų21.427%0.26712%0.12SC..EExtended strand (participates in β ladder)trans-89.4152.8165.963.1173.7000110.4K360 I361 V362 D420 I421 L443K360-I390 PolarHBondContact O-N 3.03Å; I361-I390 CarbonylContact C-O 3.48Å; I361-I390 VanDerWaalsContact CA-O 3.31Å; I361-I390 WeakPolarHBondContact CA-O 3.24Å; I361-I390 HydrophobicContact CB-CG1 4.42Å; I361-I390 HydrophobicContact CD1-CD1 4.48Å; I361-I390 HydrophobicContact CG1-CD1 4.18Å; I361-I390 HydrophobicContact CG1-CG1 3.92Å; I361-I390 HydrophobicContact CG2-CG1 4.4Å; V362-I390 PolarHBondContact N-O 2.89Å; I390-D420 WeakPolarHBondContact CA-OD2 3.46Å; I390-D420 HydrophobicContact CB-CB 4.08Å; I390-I421 HydrophobicContact CD1-CD1 4.05Å; I390-L443 HydrophobicContact CD1-CD1 4.47Å
391T98.9Very high98.6Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-97.3130.7-180550000111.9V362 F364 C381 A384 K418 D420 I421V362-T391 WeakPolarHBondContact O-CA 3.34Å; F364-T391 HydrophobicContact CE1-CG2 4.39Å; C381-T391 HydrophobicContact CB-CG2 4.26Å; A384-T391 HydrophobicContact CB-CG2 3.57Å; T391-K418 PolarHBondContact OG1-O 3.43Å; T391-D420 PolarHBondContact N-OD2 3.32Å; T391-D420 PolarHBondContact OG1-N 3.47Å; T391-D420 PolarHBondContact OG1-OD2 3.13Å; T391-I421 PolarHBondContact O-N 2.97Å
392F98.9Very high98.6Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans-109.4106.8166-175.5-79.5000108.1N299 T302 L303 M325 I361 V362 A363 F364 I421N299-F392 HydrophobicContact CB-CE1 4.47Å; N299-F392 HydrophobicContact CB-CZ 4.23Å; T302-F392 HydrophobicContact CG2-CD2 4.36Å; T302-F392 HydrophobicContact CG2-CE2 3.81Å; L303-F392 HydrophobicContact CD1-CD1 3.96Å; L303-F392 HydrophobicContact CD1-CE1 3.84Å; L303-F392 HydrophobicContact CD1-CE2 4.49Å; L303-F392 HydrophobicContact CD1-CG 4.38Å; L303-F392 HydrophobicContact CD1-CZ 4.12Å; L303-F392 HydrophobicContact CD2-CB 4.06Å; L303-F392 HydrophobicContact CD2-CD1 4.1Å; L303-F392 HydrophobicContact CD2-CD2 3.89Å; L303-F392 HydrophobicContact CD2-CE2 4.43Å; L303-F392 HydrophobicContact CD2-CG 3.72Å; L303-F392 HydrophobicContact CG-CD1 4.18Å; L303-F392 HydrophobicContact CG-CD2 3.99Å; L303-F392 HydrophobicContact CG-CE1 4.22Å; L303-F392 HydrophobicContact CG-CE2 4.01Å; L303-F392 HydrophobicContact CG-CG 4.09Å; L303-F392 HydrophobicContact CG-CZ 4.15Å; M325-F392 HydrophobicContact CG-CE1 4.14Å; M325-F392 HydrophobicContact SD-CD1 3.93Å; M325-F392 HydrophobicContact SD-CE1 3.77Å; I361-F392 HydrophobicContact CG2-CB 3.77Å; V362-F392 PolarHBondContact O-N 2.72Å; A363-F392 VanDerWaalsContact CA-O 3.32Å; A363-F392 WeakPolarHBondContact CA-O 3.43Å; A363-F392 HydrophobicContact CB-CB 4.17Å; A363-F392 HydrophobicContact CB-CD1 4.44Å; F364-F392 PolarHBondContact N-O 3.06Å; F364-F392 VanDerWaalsContact N-O 3.13Å; F392-I421 HydrophobicContact CD2-CB 4.04Å; F392-I421 HydrophobicContact CD2-CD1 4.02Å; F392-I421 HydrophobicContact CD2-CG2 3.74Å; F392-I421 HydrophobicContact CE2-CG2 3.87Å
393V98.9Very high98.6Very high0 Ų019.9 Ų19.90%011%0.114CC..EExtended strand (participates in β ladder)trans-116.8116.2-167.7-172.20000110F364 T366 L377 E395 M419 I421 I422 S423F364-V393 HydrophobicContact CD2-CG1 4.47Å; F364-V393 HydrophobicContact CE1-CG2 3.95Å; F364-V393 HydrophobicContact CE2-CG1 3.98Å; F364-V393 HydrophobicContact CE2-CG2 4.16Å; F364-V393 HydrophobicContact CZ-CG1 4.3Å; F364-V393 HydrophobicContact CZ-CG2 3.64Å; T366-V393 HydrophobicContact CG2-CG1 3.28Å; L377-V393 HydrophobicContact CD1-CG1 3.98Å; V393-E395 PolarHBondContact O-N 3.12Å; V393-M419 HydrophobicContact CB-CE 3.88Å; V393-M419 HydrophobicContact CG1-CE 3.48Å; V393-M419 VanDerWaalsContact CG1-CE 3.48Å; V393-M419 HydrophobicContact CG2-CB 4.23Å; V393-M419 HydrophobicContact CG2-CG 4.21Å; V393-I421 PolarHBondContact N-O 2.87Å; V393-I422 WeakPolarHBondContact O-CA 3.47Å; V393-S423 PolarHBondContact O-N 2.98Å
394D98.9Very high98.4Very high6 Ų622.4 Ų22.43%0.03214%0.136CC..EExtended strand (participates in β ladder)trans-91.2104-179.4-167-11.7000111.7N299 M325 F364 E365 T366 V396 S423N299-D394 PolarHBondContact ND2-OD2 3.4Å; M325-D394 HydrophobicContact CE-CB 3.84Å; M325-D394 HydrophobicContact SD-CB 4.05Å; F364-D394 PolarHBondContact O-N 2.99Å; E365-D394 WeakPolarHBondContact CA-O 3.4Å; E365-D394 HydrophobicContact CG-CB 4.13Å; T366-D394 PolarHBondContact N-O 3.16Å; D394-V396 WeakPolarHBondContact OD1-CB 3.43Å; D394-V396 WeakPolarHBondContact OD1-CG2 3.31Å; D394-V396 PolarHBondContact OD1-N 3.49Å; D394-S423 WeakPolarHBondContact CA-OG 3.47Å; D394-S423 WeakPolarHBondContact CB-OG 3.3Å; D394-S423 VanDerWaalsContact CG-OG 3.31Å; D394-S423 PolarHBondContact OD1-OG 2.98Å
395E98.8Very high98.3Very high1 Ų126.4 Ų26.41%0.00515%0.151CC..  trans-94.615.1177.5-68.5-95-135.400112.1T366 V393 H397 A398 V399 G408 I409 G410 M419 I422 S423T366-E395 VanDerWaalsContact CB-OE2 3.31Å; T366-E395 WeakPolarHBondContact CB-OE2 3.48Å; T366-E395 VanDerWaalsContact CG2-CD 3.47Å; T366-E395 HydrophobicContact CG2-CG 3.82Å; T366-E395 VanDerWaalsContact CG2-OE2 3.31Å; T366-E395 WeakPolarHBondContact CG2-OE2 3.45Å; T366-E395 PolarHBondContact OG1-OE2 2.92Å; V393-E395 PolarHBondContact O-N 3.12Å; E395-H397 PolarHBondContact O-N 3.3Å; E395-A398 HydrophobicContact CB-CB 4.36Å; E395-A398 WeakPolarHBondContact O-CA 3.43Å; E395-A398 PolarHBondContact O-N 3.07Å; E395-A398 WeakPolarHBondContact OE2-CB 2.91Å; E395-V399 HydrophobicContact CB-CG1 3.82Å; E395-V399 WeakPolarHBondContact O-CG1 3.33Å; E395-V399 PolarHBondContact O-N 3.49Å; E395-G408 WeakPolarHBondContact OE1-CA 3.45Å; E395-I409 VanDerWaalsContact CD-N 3.3Å; E395-I409 PolarHBondContact OE1-N 3.1Å; E395-I409 PolarHBondContact OE2-N 3.12Å; E395-G410 PolarHBondContact OE1-N 2.68Å; E395-M419 HydrophobicContact CG-CE 3.47Å; E395-M419 VanDerWaalsContact CG-CE 3.47Å; E395-M419 WeakPolarHBondContact OE1-CE 3.3Å; E395-I422 HydrophobicContact CB-CG2 4.12Å; E395-I422 HydrophobicContact CG-CG2 3.84Å; E395-S423 PolarHBondContact N-O 3.12Å
396V98.8Very high98.3Very high12 Ų1223 Ų237%0.07314%0.135CC..THydrogen-bonded Turntrans-52.8-31.8-176.2154.70000114.6C295 D394 T425 K428C295-V396 HydrophobicContact CB-CG2 3.64Å; C295-V396 WeakPolarHBondContact SG-CG2 3.46Å; D394-V396 WeakPolarHBondContact OD1-CB 3.43Å; D394-V396 WeakPolarHBondContact OD1-CG2 3.31Å; D394-V396 PolarHBondContact OD1-N 3.49Å; V396-T425 HydrophobicContact CB-CG2 4.34Å; V396-T425 HydrophobicContact CG1-CG2 3.85Å; V396-T425 HydrophobicContact CG2-CG2 4.25Å; V396-K428 HydrophobicContact CG1-CD 3.89Å
397H98.7Very high98.3Very high7 Ų717.4 Ų17.43%0.03211%0.11CC..THydrogen-bonded Turntrans-97.76.8176.9-81.3-93.7000113.6Y236 V367 S369 E395 K428 H511 R554Y236-H397 AromaticContact CZ-ND1 3.99Å; Y236-H397 PolarHBondContact OH-CE1 3.37Å; Y236-H397 PolarHBondContact OH-ND1 3.48Å; V367-H397 HydrophobicContact CB-CB 3.78Å; V367-H397 HydrophobicContact CG1-CB 3.8Å; V367-H397 VanDerWaalsContact O-CB 3.3Å; V367-H397 WeakPolarHBondContact O-CB 3.46Å; S369-H397 WeakPolarHBondContact CB-NE2 3.03Å; E395-H397 PolarHBondContact O-N 3.3Å; H397-K428 PolarHBondContact CD2-NZ 3.16Å; H397-K428 PolarHBondContact NE2-NZ 3.06Å; H397-H511 PolarHBondContact O-CE1 3.4Å; H397-R554 PolarHBondContact CE1-NH2 3.19Å; H397-R554 PolarHBondContact ND1-NH2 3.14Å
398A98.8Very high98.3Very high0 Ų015.3 Ų15.30%010%0.101CC..THydrogen-bonded Turntrans-122.4-33.6-17600000114V367 E395 G400 L401 Y402 I409V367-A398 HydrophobicContact CB-CB 4.49Å; V367-A398 HydrophobicContact CG2-CB 3.82Å; E395-A398 HydrophobicContact CB-CB 4.36Å; E395-A398 WeakPolarHBondContact O-CA 3.43Å; E395-A398 PolarHBondContact O-N 3.07Å; E395-A398 WeakPolarHBondContact OE2-CB 2.91Å; A398-G400 PolarHBondContact O-N 3.33Å; A398-L401 WeakPolarHBondContact O-CA 3.01Å; A398-L401 WeakPolarHBondContact O-CB 3.42Å; A398-L401 PolarHBondContact O-N 3.1Å; A398-Y402 HydrophobicContact CB-CD2 3.87Å; A398-Y402 HydrophobicContact CB-CE2 4.45Å; A398-Y402 PolarHBondContact O-N 3.1Å; A398-I409 HydrophobicContact CB-CG1 3.95Å
399V98.8Very high98.4Very high1 Ų112.5 Ų12.51%0.0067%0.072CC..THydrogen-bonded Turntrans-54.8133.2177.5-66.60000111.2E395 L401 G407 A429 F430 Y436E395-V399 HydrophobicContact CB-CG1 3.82Å; E395-V399 WeakPolarHBondContact O-CG1 3.33Å; E395-V399 PolarHBondContact O-N 3.49Å; V399-L401 PolarHBondContact O-N 3.19Å; V399-G407 WeakPolarHBondContact CG1-O 3.15Å; V399-A429 WeakPolarHBondContact O-CB 3.44Å; V399-F430 HydrophobicContact CB-CE2 3.77Å; V399-F430 HydrophobicContact CB-CZ 4.05Å; V399-F430 HydrophobicContact CG2-CD2 4.4Å; V399-F430 HydrophobicContact CG2-CE2 3.75Å; V399-F430 HydrophobicContact CG2-CZ 4.47Å; V399-Y436 VanDerWaalsContact CG1-OH 3.32Å; V399-Y436 WeakPolarHBondContact CG1-OH 3.44Å
400G98.6Very high98.3Very high0 Ų012.4 Ų12.40%07%0.071CC..THydrogen-bonded Turntrans80.3-21-171.300000115.5A398 G406 R484A398-G400 PolarHBondContact O-N 3.33Å; G400-G406 WeakPolarHBondContact CA-O 3.15Å; G400-G406 PolarHBondContact N-O 3.2Å; G400-R484 WeakPolarHBondContact O-CD 3.36Å; G400-R484 WeakPolarHBondContact O-CG 3.47Å; G400-R484 PolarHBondContact O-NH1 3.02Å
401L98.8Very high98.3Very high2 Ų211.1 Ų11.11%0.017%0.065CC..THydrogen-bonded Turntrans-106.1-23.9-168.1-56-177000115.5Y236 L237 A398 V399 A429 R484 H511Y236-L401 HydrophobicContact CD2-CD1 3.62Å; Y236-L401 HydrophobicContact CD2-CD2 4.43Å; Y236-L401 HydrophobicContact CD2-CG 4.46Å; Y236-L401 HydrophobicContact CE2-CD1 4.09Å; Y236-L401 HydrophobicContact CG-CD1 4.07Å; L237-L401 HydrophobicContact CD1-CD2 3.88Å; L237-L401 HydrophobicContact CD2-CD2 3.82Å; L237-L401 HydrophobicContact CG-CD2 3.66Å; A398-L401 WeakPolarHBondContact O-CA 3.01Å; A398-L401 WeakPolarHBondContact O-CB 3.42Å; A398-L401 PolarHBondContact O-N 3.1Å; V399-L401 PolarHBondContact O-N 3.19Å; L401-A429 HydrophobicContact CD2-CB 3.61Å; L401-A429 HydrophobicContact CG-CB 3.83Å; L401-R484 WeakPolarHBondContact O-CD 3.4Å; L401-R484 WeakPolarHBondContact O-CG 3.26Å; L401-H511 VanDerWaalsContact CD1-CE1 3.43Å; L401-H511 WeakPolarHBondContact CD1-CE1 3.11Å
402Y98.5Very high98.2Very high17 Ų1716.6 Ų16.67%0.0679%0.085CC..SBendtrans-129.9153.9-178.6-59.1-88.9000111.1V367 A398 G406 G407 G408 I409 S510 H511V367-Y402 HydrophobicContact CG2-CD2 4.3Å; V367-Y402 HydrophobicContact CG2-CE2 3.78Å; A398-Y402 HydrophobicContact CB-CD2 3.87Å; A398-Y402 HydrophobicContact CB-CE2 4.45Å; A398-Y402 PolarHBondContact O-N 3.1Å; Y402-G406 CarbonylContact O-C 3.54Å; Y402-G406 WeakPolarHBondContact O-CA 3.15Å; Y402-G407 PolarHBondContact O-N 3.29Å; Y402-G408 CarbonylContact C-O 3.55Å; Y402-G408 VanDerWaalsContact C-O 3.25Å; Y402-G408 WeakPolarHBondContact CB-O 3.09Å; Y402-G408 PolarHBondContact O-N 2.84Å; Y402-I409 HydrophobicContact CD1-CD1 3.79Å; Y402-I409 HydrophobicContact CD2-CD1 3.85Å; Y402-I409 HydrophobicContact CE1-CD1 4.26Å; Y402-I409 HydrophobicContact CE2-CD1 4.33Å; Y402-I409 HydrophobicContact CG-CD1 3.57Å; Y402-S510 WeakPolarHBondContact OH-CA 3.4Å; Y402-H511 AromaticContact CE2-ND1 3.75Å; Y402-H511 AromaticContact CZ-ND1 3.83Å; Y402-H511 PolarHBondContact OH-N 3.13Å; Y402-H511 PolarHBondContact OH-ND1 3.46Å
403G97.2Very high98.1Very high16 Ų1619.6 Ų19.617%0.16510%0.101CC..SBendtrans82.7168.6-176.800000115.2D411 R484G403-D411 VanDerWaalsContact CA-C 3.5Å; G403-D411 VanDerWaalsContact CA-CG 3.46Å; G403-D411 WeakPolarHBondContact CA-OD2 3.28Å; G403-R484 PolarHBondContact O-NE 3.14Å
404A95.1Very high98Very high61 Ų6122.1 Ų22.150%0.50413%0.127SC..SBendtrans-69.4-35.5-173.700000112.1D411 R481 R484A404-D411 PolarHBondContact N-OD1 3.44Å; A404-D411 PolarHBondContact N-OD2 3.08Å; A404-D411 VanDerWaalsContact N-OD2 3.12Å; A404-R481 WeakPolarHBondContact O-CG 3Å; A404-R484 PolarHBondContact O-NH2 3.34Å
405R97.6Very high98Very high84 Ų8422 Ų2232%0.31713%0.127SC..SBendtrans-99-8178.5-71.5163.360.893-9.7112.7D282 L283 D411 K476D282-R405 PolarHBondContact O-NH2 3.36Å; D282-R405 IonicContact OD1-NH2 2.71Å; D282-R405 PolarHBondContact OD1-NH2 3.29Å; D282-R405 VanDerWaalsContact OD1-NH2 3.13Å; D282-R405 IonicContact OD2-CZ 3.73Å; D282-R405 IonicContact OD2-NH2 3.96Å; D282-R405 PolarHBondContact OD2-NH2 3.25Å; L283-R405 HydrophobicContact CD1-CB 4.42Å; R405-D411 WeakPolarHBondContact CA-OD2 3.03Å; R405-D411 PolarHBondContact N-OD2 3.4Å; R405-K476 HydrophobicContact CB-CG 4.38Å; R405-K476 VanDerWaalsContact O-CA 3.31Å; R405-K476 WeakPolarHBondContact O-CA 3.12Å; R405-K476 WeakPolarHBondContact O-CG 3.46Å
406G98.3Very high97.9Very high0 Ų023 Ų230%013%0.132CC..SBendtrans80.726.2-172.700000112.2G400 Y402 G408 D411G400-G406 WeakPolarHBondContact CA-O 3.15Å; G400-G406 PolarHBondContact N-O 3.2Å; Y402-G406 CarbonylContact O-C 3.54Å; Y402-G406 WeakPolarHBondContact O-CA 3.15Å; G406-G408 VanDerWaalsContact C-N 3.33Å; G406-D411 PolarHBondContact N-OD2 3.06Å
407G97.8Very high97.8Very high1 Ų128.9 Ų28.91%0.0116%0.158CC..  trans-70.2-27.5178.100000113.2H284 V399 Y402 D411H284-G407 PolarHBondContact CE1-O 3.29Å; V399-G407 WeakPolarHBondContact CG1-O 3.15Å; Y402-G407 PolarHBondContact O-N 3.29Å; G407-D411 PolarHBondContact N-OD2 3.37Å
408G98.5Very high97.8Very high0 Ų030 Ų300%016%0.163CC..  trans132.4-159.9-176.200000112.3E395 Y402 G406 G410 D411 R412E395-G408 WeakPolarHBondContact OE1-CA 3.45Å; Y402-G408 CarbonylContact C-O 3.55Å; Y402-G408 VanDerWaalsContact C-O 3.25Å; Y402-G408 WeakPolarHBondContact CB-O 3.09Å; Y402-G408 PolarHBondContact O-N 2.84Å; G406-G408 VanDerWaalsContact C-N 3.33Å; G408-G410 VanDerWaalsContact C-N 3.32Å; G408-D411 PolarHBondContact O-N 3Å; G408-R412 PolarHBondContact O-N 3.02Å; G408-R412 VanDerWaalsContact O-N 3.14Å
409I98.4Very high97.8Very high0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-67.1-35.4174.5-61.2-60.1000110.4T366 V367 V374 L377 E395 A398 Y402 D411 R412 D413T366-I409 HydrophobicContact CG2-CB 4.28Å; V367-I409 HydrophobicContact CG2-CD1 3.88Å; V367-I409 HydrophobicContact CG2-CG1 3.85Å; V374-I409 HydrophobicContact CG1-CD1 4.05Å; V374-I409 HydrophobicContact CG1-CG1 4.25Å; V374-I409 HydrophobicContact CG1-CG2 4.28Å; L377-I409 HydrophobicContact CB-CG2 4.24Å; L377-I409 HydrophobicContact CD2-CB 4.17Å; L377-I409 HydrophobicContact CD2-CG2 3.77Å; E395-I409 VanDerWaalsContact CD-N 3.3Å; E395-I409 PolarHBondContact OE1-N 3.1Å; E395-I409 PolarHBondContact OE2-N 3.12Å; A398-I409 HydrophobicContact CB-CG1 3.95Å; Y402-I409 HydrophobicContact CD1-CD1 3.79Å; Y402-I409 HydrophobicContact CD2-CD1 3.85Å; Y402-I409 HydrophobicContact CE1-CD1 4.26Å; Y402-I409 HydrophobicContact CE2-CD1 4.33Å; Y402-I409 HydrophobicContact CG-CD1 3.57Å; I409-D411 VanDerWaalsContact C-N 3.3Å; I409-D411 PolarHBondContact O-N 3.33Å; I409-R412 WeakPolarHBondContact O-CB 3.4Å; I409-R412 PolarHBondContact O-N 3.36Å; I409-D413 WeakPolarHBondContact CG2-OD2 3.32Å; I409-D413 PolarHBondContact O-N 3.21Å
410G97.5Very high97.8Very high0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-59.2-37.5173.100000113.9E395 G408 G414 V415 M416E395-G410 PolarHBondContact OE1-N 2.68Å; G408-G410 VanDerWaalsContact C-N 3.32Å; G410-G414 CarbonylContact O-C 3.59Å; G410-G414 PolarHBondContact O-N 2.88Å; G410-V415 PolarHBondContact O-N 2.9Å; G410-V415 VanDerWaalsContact O-N 3.14Å; G410-M416 WeakPolarHBondContact O-CG 3.13Å; G410-M416 PolarHBondContact O-N 3.1Å
411D97.8Very high97.8Very high25 Ų2532.2 Ų32.213%0.13418%0.175CC..Hα-helixtrans-75.4-26.2175.6175.233.7000111.7G403 A404 R405 G406 G407 G408 I409 M416G403-D411 VanDerWaalsContact CA-C 3.5Å; G403-D411 VanDerWaalsContact CA-CG 3.46Å; G403-D411 WeakPolarHBondContact CA-OD2 3.28Å; A404-D411 PolarHBondContact N-OD1 3.44Å; A404-D411 PolarHBondContact N-OD2 3.08Å; A404-D411 VanDerWaalsContact N-OD2 3.12Å; R405-D411 WeakPolarHBondContact CA-OD2 3.03Å; R405-D411 PolarHBondContact N-OD2 3.4Å; G406-D411 PolarHBondContact N-OD2 3.06Å; G407-D411 PolarHBondContact N-OD2 3.37Å; G408-D411 PolarHBondContact O-N 3Å; I409-D411 VanDerWaalsContact C-N 3.3Å; I409-D411 PolarHBondContact O-N 3.33Å; D411-M416 HydrophobicContact CB-CE 4.12Å; D411-M416 HydrophobicContact CB-CG 4.36Å; D411-M416 HydrophobicContact CB-SD 3.79Å
412R97.8Very high97.9Very high115 Ų11532.1 Ų32.143%0.43417%0.174SC..Hα-helixtrans-70.2-43.8171.6-173-166.468.4174.5-0.1111.3G408 I409G408-R412 PolarHBondContact O-N 3.02Å; G408-R412 VanDerWaalsContact O-N 3.14Å; I409-R412 WeakPolarHBondContact O-CB 3.4Å; I409-R412 PolarHBondContact O-N 3.36Å
413D96.6Very high97.9Very high63 Ų6331.3 Ų31.334%0.33717%0.171SC..Hα-helixtrans-96.5-6.7-168.8-61.6-15.1000112.9I409 V415I409-D413 WeakPolarHBondContact CG2-OD2 3.32Å; I409-D413 PolarHBondContact O-N 3.21Å; D413-V415 HydrophobicContact CB-CG2 4Å; D413-V415 PolarHBondContact O-N 3.36Å
414G97.1Very high98Very high53 Ų5330.5 Ų30.555%0.54616%0.163SC..THydrogen-bonded Turntrans78.71.4-179.400000114.7G410 H417G410-G414 CarbonylContact O-C 3.59Å; G410-G414 PolarHBondContact O-N 2.88Å; G414-H417 PolarHBondContact O-ND1 3.38Å
415V97.8Very high98.1Very high4 Ų428.3 Ų28.32%0.02414%0.143CC..  trans-9817-172.5-59.10000114.5L377 E378 G410 D413 H417 K418L377-V415 HydrophobicContact CD2-CG2 3.75Å; L377-V415 HydrophobicContact CG-CG2 3.94Å; E378-V415 HydrophobicContact CB-CG1 4.1Å; E378-V415 HydrophobicContact CG-CG1 4.08Å; G410-V415 PolarHBondContact O-N 2.9Å; G410-V415 VanDerWaalsContact O-N 3.14Å; D413-V415 HydrophobicContact CB-CG2 4Å; D413-V415 PolarHBondContact O-N 3.36Å; V415-H417 PolarHBondContact O-N 2.9Å; V415-K418 HydrophobicContact CB-CB 4.47Å; V415-K418 HydrophobicContact CB-CD 4.13Å; V415-K418 HydrophobicContact CB-CG 4.25Å; V415-K418 HydrophobicContact CG1-CD 4.25Å; V415-K418 WeakPolarHBondContact O-CB 3.42Å; V415-K418 PolarHBondContact O-N 2.99Å
416M97.1Very high98.2Very high23 Ų2324.3 Ų24.311%0.11313%0.128CC..G310 helixtrans-48.5-33176.8-54.7-179.179.700113.6L283 K286 G410 D411 K418 M419L283-M416 WeakPolarHBondContact O-CE 3.49Å; K286-M416 WeakPolarHBondContact CE-O 3.46Å; K286-M416 PolarHBondContact NZ-O 3.09Å; G410-M416 WeakPolarHBondContact O-CG 3.13Å; G410-M416 PolarHBondContact O-N 3.1Å; D411-M416 HydrophobicContact CB-CE 4.12Å; D411-M416 HydrophobicContact CB-CG 4.36Å; D411-M416 HydrophobicContact CB-SD 3.79Å; M416-K418 VanDerWaalsContact C-N 3.31Å; M416-K418 PolarHBondContact O-N 2.88Å; M416-M419 PolarHBondContact O-N 3.28Å
417H98Very high98.2Very high135 Ų13525.9 Ų25.963%0.62514%0.144SC*.G310 helixtrans-66.9-29178.765.8-85.8000113G414 V415 M419G414-H417 PolarHBondContact O-ND1 3.38Å; V415-H417 PolarHBondContact O-N 2.9Å; H417-M419 VanDerWaalsContact C-N 3.3Å; H417-M419 PolarHBondContact O-N 3.5Å
418K98.6Very high98.3Very high31 Ų3127.5 Ų27.514%0.13515%0.151CC..G310 helixtrans-75.6-12.8176.6-57.9-170.6169.2-178.70113.9E378 C381 D382 H385 T391 V415 M416E378-K418 HydrophobicContact CG-CD 4.34Å; E378-K418 IonicContact OE1-NZ 3.32Å; E378-K418 PolarHBondContact OE1-NZ 3.29Å; C381-K418 HydrophobicContact CB-CB 3.77Å; C381-K418 HydrophobicContact CB-CD 4.48Å; D382-K418 VanDerWaalsContact OD1-CD 3.31Å; D382-K418 WeakPolarHBondContact OD1-CD 3.47Å; D382-K418 WeakPolarHBondContact OD1-CE 3.13Å; D382-K418 IonicContact OD1-NZ 2.8Å; D382-K418 PolarHBondContact OD1-NZ 3.08Å; D382-K418 IonicContact OD2-NZ 3.32Å; D382-K418 PolarHBondContact OD2-NZ 3.46Å; H385-K418 PolarHBondContact CE1-O 3.3Å; T391-K418 PolarHBondContact OG1-O 3.43Å; V415-K418 HydrophobicContact CB-CB 4.47Å; V415-K418 HydrophobicContact CB-CD 4.13Å; V415-K418 HydrophobicContact CB-CG 4.25Å; V415-K418 HydrophobicContact CG1-CD 4.25Å; V415-K418 WeakPolarHBondContact O-CB 3.42Å; V415-K418 PolarHBondContact O-N 2.99Å; M416-K418 VanDerWaalsContact C-N 3.31Å; M416-K418 PolarHBondContact O-N 2.88Å
419M98.8Very high98.3Very high0 Ų027.6 Ų27.60%015%0.152CC..  trans-91.7106.6-179.7-56.7158.277.500110.1K286 T366 L377 V393 E395 M416 H417 I422K286-M419 WeakPolarHBondContact CE-O 3.27Å; K286-M419 PolarHBondContact NZ-O 2.97Å; T366-M419 HydrophobicContact CG2-CE 4.45Å; L377-M419 HydrophobicContact CD1-CG 4.25Å; L377-M419 HydrophobicContact CD2-SD 4.05Å; V393-M419 HydrophobicContact CB-CE 3.88Å; V393-M419 HydrophobicContact CG1-CE 3.48Å; V393-M419 VanDerWaalsContact CG1-CE 3.48Å; V393-M419 HydrophobicContact CG2-CB 4.23Å; V393-M419 HydrophobicContact CG2-CG 4.21Å; E395-M419 HydrophobicContact CG-CE 3.47Å; E395-M419 VanDerWaalsContact CG-CE 3.47Å; E395-M419 WeakPolarHBondContact OE1-CE 3.3Å; M416-M419 PolarHBondContact O-N 3.28Å; H417-M419 VanDerWaalsContact C-N 3.3Å; H417-M419 PolarHBondContact O-N 3.5Å; M419-I422 HydrophobicContact CB-CD1 4.06Å; M419-I422 HydrophobicContact CB-CG1 3.77Å; M419-I422 HydrophobicContact CE-CD1 3.87Å; M419-I422 HydrophobicContact CE-CG1 3.77Å; M419-I422 HydrophobicContact CE-CG2 4.32Å; M419-I422 HydrophobicContact SD-CD1 4.02Å; M419-I422 HydrophobicContact SD-CG1 4.35Å
420D98.9Very high98.3Very high46 Ų4627.7 Ų27.725%0.24615%0.152CC..SBendtrans-69.2-45-173.8-58.6-77.3000111.8H385 I390 T391 S439H385-D420 IonicContact CD2-OD2 2.71Å; H385-D420 IonicContact CE1-OD2 3.46Å; H385-D420 IonicContact NE2-OD1 3.59Å; H385-D420 IonicContact NE2-OD2 1.75Å; H385-D420 PolarHBondContact NE2-OD2 3.39Å; I390-D420 WeakPolarHBondContact CA-OD2 3.46Å; I390-D420 HydrophobicContact CB-CB 4.08Å; T391-D420 PolarHBondContact N-OD2 3.32Å; T391-D420 PolarHBondContact OG1-N 3.47Å; T391-D420 PolarHBondContact OG1-OD2 3.13Å; D420-S439 VanDerWaalsContact O-CB 3.3Å; D420-S439 WeakPolarHBondContact O-CB 3.11Å; D420-S439 PolarHBondContact O-OG 2.95Å
421I98.9Very high98.3Very high0 Ų028.3 Ų28.30%016%0.159CC..EExtended strand (participates in β ladder)trans-127.5119.7177.2-48.9159.9000108.1T302 L306 I390 T391 F392 V393 I437 L443T302-I421 HydrophobicContact CG2-CG2 4.46Å; L306-I421 HydrophobicContact CD1-CD1 3.45Å; L306-I421 VanDerWaalsContact CD1-CD1 3.45Å; I390-I421 HydrophobicContact CD1-CD1 4.05Å; T391-I421 PolarHBondContact O-N 2.97Å; F392-I421 HydrophobicContact CD2-CB 4.04Å; F392-I421 HydrophobicContact CD2-CD1 4.02Å; F392-I421 HydrophobicContact CD2-CG2 3.74Å; F392-I421 HydrophobicContact CE2-CG2 3.87Å; V393-I421 PolarHBondContact N-O 2.87Å; I421-I437 HydrophobicContact CG2-CB 4.28Å; I421-I437 HydrophobicContact CG2-CG2 4.45Å; I421-L443 HydrophobicContact CD1-CD1 3.86Å; I421-L443 HydrophobicContact CD1-CD2 4.3Å; I421-L443 HydrophobicContact CG1-CD1 3.73Å; I421-L443 HydrophobicContact CG1-CD2 4.06Å
422I98.9Very high98.4Very high0 Ų028.4 Ų28.40%016%0.161CC..EExtended strand (participates in β ladder)trans-103.8123.8173.7-55.7178.5000108.4H284 V393 E395 M419 I437 A438H284-I422 HydrophobicContact CB-CD1 4.16Å; V393-I422 WeakPolarHBondContact O-CA 3.47Å; E395-I422 HydrophobicContact CB-CG2 4.12Å; E395-I422 HydrophobicContact CG-CG2 3.84Å; M419-I422 HydrophobicContact CB-CD1 4.06Å; M419-I422 HydrophobicContact CB-CG1 3.77Å; M419-I422 HydrophobicContact CE-CD1 3.87Å; M419-I422 HydrophobicContact CE-CG1 3.77Å; M419-I422 HydrophobicContact CE-CG2 4.32Å; M419-I422 HydrophobicContact SD-CD1 4.02Å; M419-I422 HydrophobicContact SD-CG1 4.35Å; I422-I437 CarbonylContact O-C 3.54Å; I422-I437 WeakPolarHBondContact O-CA 3.11Å; I422-A438 PolarHBondContact N-O 2.89Å; I422-A438 PolarHBondContact O-N 3.2Å
423S98.9Very high98.4Very high0 Ų026 Ų260%016%0.159CC..EExtended strand (participates in β ladder)trans-101.8142.3167.6650000111.7N299 V393 D394 E395 Y436N299-S423 VanDerWaalsContact OD1-CB 3.29Å; N299-S423 WeakPolarHBondContact OD1-CB 3.38Å; N299-S423 PolarHBondContact OD1-OG 2.79Å; V393-S423 PolarHBondContact O-N 2.98Å; D394-S423 WeakPolarHBondContact CA-OG 3.47Å; D394-S423 WeakPolarHBondContact CB-OG 3.3Å; D394-S423 VanDerWaalsContact CG-OG 3.31Å; D394-S423 PolarHBondContact OD1-OG 2.98Å; E395-S423 PolarHBondContact N-O 3.12Å; S423-Y436 WeakPolarHBondContact CA-O 3.31Å
424G98.9Very high98.5Very high0 Ų023 Ų230%014%0.144CC..EExtended strand (participates in β ladder)trans-151162.7-178.100000113.6C295 G435 Y436C295-G424 VanDerWaalsContact SG-C 3.52Å; C295-G424 PolarHBondContact SG-O 2.95Å; G424-G435 CarbonylContact O-C 3.55Å; G424-G435 VanDerWaalsContact O-CA 3.24Å; G424-G435 WeakPolarHBondContact O-CA 3.39Å; G424-Y436 VanDerWaalsContact C-CE1 3.5Å; G424-Y436 PolarHBondContact N-O 2.87Å; G424-Y436 WeakPolarHBondContact O-CD1 3.46Å; G424-Y436 PolarHBondContact O-N 3.39Å
425T98.9Very high98.6Very high14 Ų1420.5 Ų20.59%0.08612%0.117CC..EExtended strand (participates in β ladder)trans-114.3150.5178.7-169.80000112.4V396 G427 K428 F430 G434V396-T425 HydrophobicContact CB-CG2 4.34Å; V396-T425 HydrophobicContact CG1-CG2 3.85Å; V396-T425 HydrophobicContact CG2-CG2 4.25Å; T425-G427 PolarHBondContact OG1-N 3.03Å; T425-K428 HydrophobicContact CG2-CB 3.79Å; T425-K428 HydrophobicContact CG2-CD 3.88Å; T425-K428 HydrophobicContact CG2-CG 3.66Å; T425-F430 WeakPolarHBondContact O-CD2 3.34Å; T425-G434 PolarHBondContact OG1-O 2.95Å
426L98.9Very high98.6Very high0 Ų020.3 Ų20.30%012%0.116CC..SBendtrans-90.8-10.2167.3-53.5179.4000112.5L276 L280 L291 F430 C432 G434 Y436 A468 I472L276-L426 HydrophobicContact CD2-CD1 3.9Å; L280-L426 HydrophobicContact CD2-CD2 4.4Å; L291-L426 HydrophobicContact CD2-CD1 3.91Å; L426-F430 HydrophobicContact CD2-CD2 4.31Å; L426-C432 HydrophobicContact CB-CB 4.42Å; L426-C432 CarbonylContact O-C 3.53Å; L426-C432 WeakPolarHBondContact O-CA 3.34Å; L426-C432 PolarHBondContact O-N 3.4Å; L426-G434 PolarHBondContact N-O 3.47Å; L426-Y436 HydrophobicContact CD2-CD1 3.96Å; L426-Y436 HydrophobicContact CD2-CE1 3.96Å; L426-Y436 HydrophobicContact CG-CD1 4.39Å; L426-A468 HydrophobicContact CB-CB 4.4Å; L426-A468 HydrophobicContact CD1-CB 3.91Å; L426-A468 HydrophobicContact CD2-CB 4.29Å; L426-A468 HydrophobicContact CG-CB 4.43Å; L426-I472 HydrophobicContact CD2-CD1 4.16Å
427G98.3Very high98.7Very high33 Ų3319.2 Ų19.234%0.3411%0.111SC..SBendtrans-100.518.9-170.100000116.5T425 C432T425-G427 PolarHBondContact OG1-N 3.03Å; G427-C432 VanDerWaalsContact CA-O 3.26Å; G427-C432 WeakPolarHBondContact CA-O 3.44Å
428K98.8Very high98.8Very high36 Ų3612.8 Ų12.816%0.1578%0.081CC..SBendtrans-121.4-107.3175.1-65-176.4-178.2161.40110.6N234 Y236 V396 H397 T425 F430 G431N234-K428 HydrophobicContact CB-CB 4.34Å; N234-K428 HydrophobicContact CB-CD 4.16Å; N234-K428 HydrophobicContact CB-CG 3.81Å; N234-K428 CarbonylContact O-C 3.48Å; N234-K428 WeakPolarHBondContact O-CA 3.41Å; N234-K428 WeakPolarHBondContact O-CB 3.34Å; Y236-K428 HydrophobicContact CD2-CB 4.21Å; Y236-K428 HydrophobicContact CE2-CB 3.89Å; Y236-K428 HydrophobicContact CE2-CD 4.29Å; Y236-K428 HydrophobicContact CE2-CG 4.44Å; V396-K428 HydrophobicContact CG1-CD 3.89Å; H397-K428 PolarHBondContact CD2-NZ 3.16Å; H397-K428 PolarHBondContact NE2-NZ 3.06Å; T425-K428 HydrophobicContact CG2-CB 3.79Å; T425-K428 HydrophobicContact CG2-CD 3.88Å; T425-K428 HydrophobicContact CG2-CG 3.66Å; K428-F430 PolarHBondContact O-N 3.31Å; K428-F430 VanDerWaalsContact O-N 3.15Å; K428-G431 PolarHBondContact O-N 3.49Å
429A98.8Very high98.8Very high1 Ų111.4 Ų11.41%0.0088%0.075CC..THydrogen-bonded Turntrans-58.6-29.8-17900000114.3Y236 L237 M239 V399 L401 G431 L475Y236-A429 HydrophobicContact CD2-CB 4.47Å; L237-A429 HydrophobicContact CD1-CB 4.5Å; M239-A429 WeakPolarHBondContact CB-O 3.39Å; M239-A429 WeakPolarHBondContact CG-O 3.21Å; V399-A429 WeakPolarHBondContact O-CB 3.44Å; L401-A429 HydrophobicContact CD2-CB 3.61Å; L401-A429 HydrophobicContact CG-CB 3.83Å; A429-G431 VanDerWaalsContact C-N 3.31Å; A429-L475 HydrophobicContact CB-CD1 4.49Å
430F98.9Very high98.8Very high2 Ų214.8 Ų14.81%0.00910%0.096CC..THydrogen-bonded Turntrans-80.1-4.5175-56-58.1000114.5L283 V399 T425 L426 K428 C432 S471 I472 L475L283-F430 HydrophobicContact CD2-CZ 3.92Å; V399-F430 HydrophobicContact CB-CE2 3.77Å; V399-F430 HydrophobicContact CB-CZ 4.05Å; V399-F430 HydrophobicContact CG2-CD2 4.4Å; V399-F430 HydrophobicContact CG2-CE2 3.75Å; V399-F430 HydrophobicContact CG2-CZ 4.47Å; T425-F430 WeakPolarHBondContact O-CD2 3.34Å; L426-F430 HydrophobicContact CD2-CD2 4.31Å; K428-F430 PolarHBondContact O-N 3.31Å; K428-F430 VanDerWaalsContact O-N 3.15Å; F430-C432 PolarHBondContact O-N 2.97Å; F430-C432 PolarHBondContact O-SG 2.86Å; F430-S471 WeakPolarHBondContact CA-OG 3.23Å; F430-S471 WeakPolarHBondContact O-CB 3.37Å; F430-S471 PolarHBondContact O-OG 3.14Å; F430-S471 VanDerWaalsContact O-OG 3.1Å; F430-I472 HydrophobicContact CD1-CB 4.41Å; F430-I472 HydrophobicContact CD1-CG1 3.55Å; F430-I472 HydrophobicContact CD2-CG1 4.25Å; F430-I472 HydrophobicContact CE1-CB 4.2Å; F430-I472 HydrophobicContact CE1-CG1 3.48Å; F430-I472 VanDerWaalsContact CE1-CG1 3.48Å; F430-I472 HydrophobicContact CE2-CG1 4.17Å; F430-I472 HydrophobicContact CG-CG1 3.98Å; F430-I472 HydrophobicContact CZ-CG1 3.81Å; F430-L475 HydrophobicContact CD1-CD1 3.68Å; F430-L475 HydrophobicContact CD1-CG 4.49Å; F430-L475 HydrophobicContact CE1-CB 4.36Å; F430-L475 HydrophobicContact CE1-CD1 3.85Å
431G98.3Very high98.8Very high14 Ų1415.9 Ų15.914%0.14411%0.107CC..  trans64.512.617000000117.4S240 K428 A429S240-G431 VanDerWaalsContact CA-O 3.26Å; S240-G431 WeakPolarHBondContact CA-O 3.42Å; S240-G431 WeakPolarHBondContact CB-O 3.34Å; K428-G431 PolarHBondContact O-N 3.49Å; A429-G431 VanDerWaalsContact C-N 3.31Å
432C98.4Very high98.8Very high26 Ų2618.9 Ų18.918%0.17613%0.132CC..SBendtrans-111.3-137.5-175.4-66.60000110.9L426 G427 F430 A468L426-C432 HydrophobicContact CB-CB 4.42Å; L426-C432 CarbonylContact O-C 3.53Å; L426-C432 WeakPolarHBondContact O-CA 3.34Å; L426-C432 PolarHBondContact O-N 3.4Å; G427-C432 VanDerWaalsContact CA-O 3.26Å; G427-C432 WeakPolarHBondContact CA-O 3.44Å; F430-C432 PolarHBondContact O-N 2.97Å; F430-C432 PolarHBondContact O-SG 2.86Å; C432-A468 HydrophobicContact CB-CB 3.92Å; C432-A468 VanDerWaalsContact SG-CA 3.57Å; C432-A468 PolarHBondContact SG-N 3.37Å; C432-A468 VanDerWaalsContact SG-N 3.4Å
433V98.4Very high98.8Very high65 Ų6520.1 Ų20.139%0.39414%0.138SC..  trans-152.4148.8170.767.90000110L464V433-L464 HydrophobicContact CG1-CD1 3.67Å
434G98.7Very high98.8Very high1 Ų120.5 Ų20.51%0.0114%0.141CC..  trans132.7172.8-175.600000112.7T293 T425 L426T293-G434 WeakPolarHBondContact O-CA 3.48Å; T425-G434 PolarHBondContact OG1-O 2.95Å; L426-G434 PolarHBondContact N-O 3.47Å
435G98.8Very high98.8Very high0 Ų024 Ų240%016%0.159CC..EExtended strand (participates in β ladder)trans-141170.9166.700000110.7F292 G424F292-G435 PolarHBondContact N-O 2.94Å; F292-G435 PolarHBondContact O-N 2.95Å; G424-G435 CarbonylContact O-C 3.55Å; G424-G435 VanDerWaalsContact O-CA 3.24Å; G424-G435 WeakPolarHBondContact O-CA 3.39Å
436Y98.9Very high98.8Very high0 Ų025.6 Ų25.60%017%0.17CC..EExtended strand (participates in β ladder)trans-153.5164.5176.960.6-91000111.5L280 H284 L290 V399 S423 G424 L426L280-Y436 HydrophobicContact CD1-CD1 3.75Å; L280-Y436 HydrophobicContact CD1-CD2 4.27Å; L280-Y436 HydrophobicContact CD1-CE1 4.33Å; L280-Y436 HydrophobicContact CD1-CG 3.71Å; L280-Y436 HydrophobicContact CD2-CD1 3.81Å; L280-Y436 HydrophobicContact CD2-CD2 4.24Å; L280-Y436 HydrophobicContact CD2-CE1 3.5Å; L280-Y436 VanDerWaalsContact CD2-CE1 3.5Å; L280-Y436 HydrophobicContact CD2-CE2 3.98Å; L280-Y436 HydrophobicContact CD2-CG 4.16Å; L280-Y436 HydrophobicContact CG-CD1 4.42Å; L280-Y436 HydrophobicContact CG-CG 4.46Å; H284-Y436 AromaticContact CD2-CE2 3.67Å; H284-Y436 AromaticContact NE2-CE2 3.37Å; H284-Y436 WeakPolarHBondContact NE2-CE2 3.31Å; H284-Y436 AromaticContact NE2-CZ 3.56Å; H284-Y436 PolarHBondContact NE2-OH 2.93Å; L290-Y436 WeakPolarHBondContact O-CA 3.43Å; L290-Y436 VanDerWaalsContact O-CB 3.3Å; L290-Y436 WeakPolarHBondContact O-CB 3.39Å; V399-Y436 VanDerWaalsContact CG1-OH 3.32Å; V399-Y436 WeakPolarHBondContact CG1-OH 3.44Å; S423-Y436 WeakPolarHBondContact CA-O 3.31Å; G424-Y436 VanDerWaalsContact C-CE1 3.5Å; G424-Y436 PolarHBondContact N-O 2.87Å; G424-Y436 WeakPolarHBondContact O-CD1 3.46Å; G424-Y436 PolarHBondContact O-N 3.39Å; L426-Y436 HydrophobicContact CD2-CD1 3.96Å; L426-Y436 HydrophobicContact CD2-CE1 3.96Å; L426-Y436 HydrophobicContact CG-CD1 4.39Å
437I98.9Very high98.8Very high0 Ų025.6 Ų25.60%017%0.17CC..EExtended strand (participates in β ladder)trans-115.6153.8155.667174.8000109.6A289 L290 F292 A298 T302 I421 I422 L443 V447A289-I437 CarbonylContact C-O 3.56Å; A289-I437 WeakPolarHBondContact CA-O 3.31Å; A289-I437 VanDerWaalsContact CB-O 3.27Å; A289-I437 WeakPolarHBondContact CB-O 3.31Å; L290-I437 HydrophobicContact CB-CG1 4.05Å; L290-I437 PolarHBondContact N-O 2.57Å; L290-I437 PolarHBondContact O-N 2.82Å; L290-I437 VanDerWaalsContact O-N 3.16Å; F292-I437 HydrophobicContact CE2-CG1 4.27Å; F292-I437 HydrophobicContact CE2-CG2 4.38Å; A298-I437 HydrophobicContact CB-CG2 4.37Å; T302-I437 HydrophobicContact CG2-CD1 3.9Å; T302-I437 HydrophobicContact CG2-CG2 4.27Å; T302-I437 WeakPolarHBondContact OG1-CG2 3.29Å; I421-I437 HydrophobicContact CG2-CB 4.28Å; I421-I437 HydrophobicContact CG2-CG2 4.45Å; I422-I437 CarbonylContact O-C 3.54Å; I422-I437 WeakPolarHBondContact O-CA 3.11Å; I437-L443 HydrophobicContact CD1-CD2 4.4Å; I437-V447 HydrophobicContact CD1-CB 4.04Å; I437-V447 HydrophobicContact CD1-CG1 3.97Å; I437-V447 HydrophobicContact CD1-CG2 3.96Å
438A98.9Very high98.8Very high0 Ų028.8 Ų28.80%017%0.171CC..EExtended strand (participates in β ladder)trans-130.5133166.700000109.3H284 K286 A288 A289 I422H284-A438 HydrophobicContact CB-CB 3.89Å; K286-A438 HydrophobicContact CB-CB 4.2Å; K286-A438 HydrophobicContact CG-CB 4.05Å; A288-A438 WeakPolarHBondContact O-CA 3.01Å; A289-A438 HydrophobicContact CB-CB 4.01Å; I422-A438 PolarHBondContact N-O 2.89Å; I422-A438 PolarHBondContact O-N 3.2Å
439S98.9Very high98.8Very high1 Ų129.5 Ų29.51%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-167.2-167.9-173.7-168.40000110.6A288 D420A288-S439 PolarHBondContact N-O 3.39Å; A288-S439 PolarHBondContact O-N 3.33Å; A288-S439 VanDerWaalsContact O-N 3.08Å; D420-S439 VanDerWaalsContact O-CB 3.3Å; D420-S439 WeakPolarHBondContact O-CB 3.11Å; D420-S439 PolarHBondContact O-OG 2.95Å
440T98.9Very high98.8Very high72 Ų7236.6 Ų36.644%0.44221%0.208SC..  trans-60.8151171.666.30000111.3D287 A442 L443 V444D287-T440 WeakPolarHBondContact OD2-CA 3.48Å; T440-A442 VanDerWaalsContact C-N 3.35Å; T440-A442 PolarHBondContact O-N 2.86Å; T440-L443 PolarHBondContact O-N 3.26Å; T440-L443 WeakPolarHBondContact OG1-CB 3.21Å; T440-V444 PolarHBondContact O-N 3.07Å
441S98.8Very high98.8Very high68 Ų6836.5 Ų36.548%0.47621%0.208SC..Hα-helixtrans-55.3-48-177.1450000111.8D287 L443 V444 D445D287-S441 PolarHBondContact OD2-N 2.95Å; D287-S441 PolarHBondContact OD2-OG 3.29Å; D287-S441 VanDerWaalsContact OD2-OG 3.06Å; S441-L443 PolarHBondContact O-N 3.02Å; S441-V444 PolarHBondContact O-N 3.23Å; S441-D445 VanDerWaalsContact O-CB 3.31Å; S441-D445 WeakPolarHBondContact O-CB 3.47Å; S441-D445 PolarHBondContact O-N 2.88Å
442A98.8Very high98.8Very high64 Ų6438.6 Ų38.653%0.52922%0.224SC..Hα-helixtrans-65.2-36.7179.400000113.6T440 T446T440-A442 VanDerWaalsContact C-N 3.35Å; T440-A442 PolarHBondContact O-N 2.86Å; A442-T446 WeakPolarHBondContact O-CB 3.49Å; A442-T446 PolarHBondContact O-N 2.96Å; A442-T446 PolarHBondContact O-OG1 2.97Å
443L98.8Very high98.7Very high25 Ų2538.7 Ų38.713%0.13123%0.229CC..Hα-helixtrans-69.3-48176.9-171153000110.6L306 I390 I421 I437 T440 S441 D445 T446 V447L306-L443 HydrophobicContact CD1-CD1 4.38Å; L306-L443 HydrophobicContact CD1-CD2 4.26Å; L306-L443 HydrophobicContact CD2-CD2 4.49Å; L306-L443 HydrophobicContact CD2-CG 4.21Å; I390-L443 HydrophobicContact CD1-CD1 4.47Å; I421-L443 HydrophobicContact CD1-CD1 3.86Å; I421-L443 HydrophobicContact CD1-CD2 4.3Å; I421-L443 HydrophobicContact CG1-CD1 3.73Å; I421-L443 HydrophobicContact CG1-CD2 4.06Å; I437-L443 HydrophobicContact CD1-CD2 4.4Å; T440-L443 PolarHBondContact O-N 3.26Å; T440-L443 WeakPolarHBondContact OG1-CB 3.21Å; S441-L443 PolarHBondContact O-N 3.02Å; L443-D445 VanDerWaalsContact C-N 3.29Å; L443-D445 PolarHBondContact O-N 3.48Å; L443-T446 WeakPolarHBondContact O-CB 3.12Å; L443-T446 PolarHBondContact O-N 2.96Å; L443-V447 HydrophobicContact CD2-CG2 4.08Å; L443-V447 WeakPolarHBondContact O-CG2 3.39Å; L443-V447 PolarHBondContact O-N 2.95Å
444V98.9Very high98.7Very high8 Ų836.2 Ų36.25%0.04821%0.213CC..Hα-helixtrans-57.3-43.6174.7165.90000111.2A288 L290 T440 S441 T446 V447 R448A288-V444 HydrophobicContact CB-CB 3.87Å; A288-V444 HydrophobicContact CB-CG1 3.78Å; A288-V444 HydrophobicContact CB-CG2 3.99Å; L290-V444 HydrophobicContact CB-CG1 4.03Å; T440-V444 PolarHBondContact O-N 3.07Å; S441-V444 PolarHBondContact O-N 3.23Å; V444-T446 VanDerWaalsContact C-N 3.34Å; V444-T446 PolarHBondContact O-N 3.33Å; V444-V447 PolarHBondContact O-N 2.63Å; V444-R448 VanDerWaalsContact O-CB 3.3Å; V444-R448 WeakPolarHBondContact O-CB 3.41Å; V444-R448 PolarHBondContact O-N 3.13Å
445D98.8Very high98.7Very high73 Ų7338.4 Ų38.439%0.3922%0.224SC..Hα-helixtrans-69.7-32.6-179.3-149.162.9000112.8S441 L443 R448 S449S441-D445 VanDerWaalsContact O-CB 3.31Å; S441-D445 WeakPolarHBondContact O-CB 3.47Å; S441-D445 PolarHBondContact O-N 2.88Å; L443-D445 VanDerWaalsContact C-N 3.29Å; L443-D445 PolarHBondContact O-N 3.48Å; D445-R448 IonicContact OD1-CZ 3.31Å; D445-R448 IonicContact OD1-NE 2.8Å; D445-R448 PolarHBondContact OD1-NE 3.17Å; D445-R448 IonicContact OD1-NH2 3.63Å; D445-R448 PolarHBondContact OD1-NH2 2.88Å; D445-R448 IonicContact OD2-CZ 3.93Å; D445-R448 IonicContact OD2-NH2 2.81Å; D445-R448 PolarHBondContact OD2-NH2 3.23Å; D445-S449 VanDerWaalsContact O-CB 3.22Å; D445-S449 WeakPolarHBondContact O-CB 3.47Å; D445-S449 PolarHBondContact O-N 2.98Å; D445-S449 PolarHBondContact O-OG 2.91Å
446T98.8Very high98.7Very high49 Ų4946.3 Ų46.330%0.30126%0.259SS..Hα-helixtrans-63.1-51.2170.2-590000110.3M309 A442 L443 V444 R448 S449 Y450M309-T446 HydrophobicContact CE-CG2 3.8Å; M309-T446 HydrophobicContact SD-CG2 3.98Å; A442-T446 WeakPolarHBondContact O-CB 3.49Å; A442-T446 PolarHBondContact O-N 2.96Å; A442-T446 PolarHBondContact O-OG1 2.97Å; L443-T446 WeakPolarHBondContact O-CB 3.12Å; L443-T446 PolarHBondContact O-N 2.96Å; V444-T446 VanDerWaalsContact C-N 3.34Å; V444-T446 PolarHBondContact O-N 3.33Å; T446-R448 VanDerWaalsContact C-N 3.34Å; T446-R448 PolarHBondContact O-N 2.96Å; T446-S449 PolarHBondContact O-N 3.28Å; T446-S449 VanDerWaalsContact O-N 3.13Å; T446-Y450 HydrophobicContact CG2-CD2 4.07Å; T446-Y450 WeakPolarHBondContact O-CD2 3.46Å; T446-Y450 PolarHBondContact O-N 3.04Å
447V98.9Very high98.6Very high0 Ų048.7 Ų48.70%027%0.274CS..Hα-helixtrans-61.3-43.8178179.40000110.6L290 F292 T302 L306 I437 L443 V444 S449 Y450 A451L290-V447 HydrophobicContact CD2-CB 4.23Å; L290-V447 HydrophobicContact CD2-CG1 3.91Å; F292-V447 HydrophobicContact CZ-CG1 3.78Å; T302-V447 HydrophobicContact CG2-CG2 4.01Å; L306-V447 HydrophobicContact CD2-CG2 4.25Å; L306-V447 HydrophobicContact CG-CG2 4.41Å; I437-V447 HydrophobicContact CD1-CB 4.04Å; I437-V447 HydrophobicContact CD1-CG1 3.97Å; I437-V447 HydrophobicContact CD1-CG2 3.96Å; L443-V447 HydrophobicContact CD2-CG2 4.08Å; L443-V447 WeakPolarHBondContact O-CG2 3.39Å; L443-V447 PolarHBondContact O-N 2.95Å; V444-V447 PolarHBondContact O-N 2.63Å; V447-S449 PolarHBondContact O-N 2.7Å; V447-Y450 PolarHBondContact O-N 3.15Å; V447-A451 HydrophobicContact CG1-CB 3.89Å; V447-A451 WeakPolarHBondContact O-CB 3.31Å; V447-A451 PolarHBondContact O-N 2.89Å
448R98.8Very high98.6Very high100 Ų10052.7 Ų52.738%0.37730%0.298SS..Hα-helixtrans-55.8-37.1175-174.4-174.666.766.33.9112.9L290 V444 D445 T446 F454L290-R448 HydrophobicContact CD1-CB 3.86Å; L290-R448 HydrophobicContact CD1-CG 3.86Å; L290-R448 HydrophobicContact CD2-CB 3.95Å; V444-R448 VanDerWaalsContact O-CB 3.3Å; V444-R448 WeakPolarHBondContact O-CB 3.41Å; V444-R448 PolarHBondContact O-N 3.13Å; D445-R448 IonicContact OD1-CZ 3.31Å; D445-R448 IonicContact OD1-NE 2.8Å; D445-R448 PolarHBondContact OD1-NE 3.17Å; D445-R448 IonicContact OD1-NH2 3.63Å; D445-R448 PolarHBondContact OD1-NH2 2.88Å; D445-R448 IonicContact OD2-CZ 3.93Å; D445-R448 IonicContact OD2-NH2 2.81Å; D445-R448 PolarHBondContact OD2-NH2 3.23Å; T446-R448 VanDerWaalsContact C-N 3.34Å; T446-R448 PolarHBondContact O-N 2.96Å; R448-F454 HydrophobicContact CB-CE1 4.35Å; R448-F454 HydrophobicContact CG-CD1 4.42Å; R448-F454 HydrophobicContact CG-CE1 3.59Å; R448-F454 HydrophobicContact CG-CZ 3.9Å; R448-F454 WeakPolarHBondContact O-CD1 3.24Å
449S98.8Very high98.6Very high50 Ų5053.4 Ų53.435%0.3530%0.303SS..Hα-helixtrans-90.3-21.6-172.8-58.40000114.3D445 T446 V447 I455D445-S449 VanDerWaalsContact O-CB 3.22Å; D445-S449 WeakPolarHBondContact O-CB 3.47Å; D445-S449 PolarHBondContact O-N 2.98Å; D445-S449 PolarHBondContact O-OG 2.91Å; T446-S449 PolarHBondContact O-N 3.28Å; T446-S449 VanDerWaalsContact O-N 3.13Å; V447-S449 PolarHBondContact O-N 2.7Å; S449-I455 WeakPolarHBondContact O-CD1 3.23Å
450Y98.8Very high98.6Very high151 Ų15154.2 Ų54.259%0.59231%0.307SS*.Hα-helixtrans-121.2-19.4-174.1-69.1-86.8000115.1M309 T446 V447 A452M309-Y450 HydrophobicContact CE-CD1 3.93Å; M309-Y450 HydrophobicContact CE-CD2 3.63Å; M309-Y450 HydrophobicContact CE-CE1 4.08Å; M309-Y450 HydrophobicContact CE-CE2 3.8Å; M309-Y450 HydrophobicContact CE-CG 3.7Å; M309-Y450 HydrophobicContact SD-CD1 4.15Å; M309-Y450 HydrophobicContact SD-CD2 4.04Å; M309-Y450 HydrophobicContact SD-CG 3.7Å; T446-Y450 HydrophobicContact CG2-CD2 4.07Å; T446-Y450 WeakPolarHBondContact O-CD2 3.46Å; T446-Y450 PolarHBondContact O-N 3.04Å; V447-Y450 PolarHBondContact O-N 3.15Å; Y450-A452 PolarHBondContact O-N 2.86Å; Y450-A452 VanDerWaalsContact O-N 3.15Å
451A98.6Very high98.6Very high0 Ų052.1 Ų52.10%030%0.295CS..  trans-75.1106.4-175.400000112.7T305 V447 G453 F454 I455T305-A451 WeakPolarHBondContact OG1-CA 3.46Å; V447-A451 HydrophobicContact CG1-CB 3.89Å; V447-A451 WeakPolarHBondContact O-CB 3.31Å; V447-A451 PolarHBondContact O-N 2.89Å; A451-G453 VanDerWaalsContact C-N 3.27Å; A451-G453 PolarHBondContact O-N 3.3Å; A451-F454 HydrophobicContact CB-CB 4.1Å; A451-F454 WeakPolarHBondContact O-CB 3.3Å; A451-F454 PolarHBondContact O-N 3.32Å; A451-I455 WeakPolarHBondContact O-CG1 3.33Å; A451-I455 PolarHBondContact O-N 2.97Å
452A98.4Very high98.6Very high57 Ų5749.4 Ų49.447%0.47128%0.276SS..Hα-helixtrans-55.8-38.1-179.800000113.6Y450 F454 I455 F456Y450-A452 PolarHBondContact O-N 2.86Å; Y450-A452 VanDerWaalsContact O-N 3.15Å; A452-F454 PolarHBondContact O-N 3.35Å; A452-I455 PolarHBondContact O-N 3.36Å; A452-F456 HydrophobicContact CB-CD2 4.01Å; A452-F456 HydrophobicContact CB-CE2 4.35Å; A452-F456 PolarHBondContact O-N 2.84Å
453G97.1Very high98.6Very high29 Ų2947.6 Ų47.630%0.29926%0.257SS..Hα-helixtrans-68.7-12.6176.700000115.1A451 T457A451-G453 VanDerWaalsContact C-N 3.27Å; A451-G453 PolarHBondContact O-N 3.3Å; G453-T457 WeakPolarHBondContact O-CG2 3.16Å
454F98.8Very high98.5Very high13 Ų1348.4 Ų48.46%0.05726%0.261CS..Hα-helixtrans-93.1-45.4168.7173.7-96.8000111.8R264 L290 L291 F292 R448 A451 A452R264-F454 HydrophobicContact CB-CE1 4.3Å; R264-F454 HydrophobicContact CB-CZ 4.08Å; R264-F454 HydrophobicContact CG-CE1 4.28Å; R264-F454 HydrophobicContact CG-CE2 3.97Å; R264-F454 HydrophobicContact CG-CZ 3.67Å; L290-F454 HydrophobicContact CD1-CD2 4.21Å; L290-F454 HydrophobicContact CD1-CE1 4.4Å; L290-F454 HydrophobicContact CD1-CE2 3.46Å; L290-F454 VanDerWaalsContact CD1-CE2 3.46Å; L290-F454 HydrophobicContact CD1-CZ 3.58Å; L290-F454 HydrophobicContact CD2-CD2 4.05Å; L290-F454 HydrophobicContact CD2-CE2 4.14Å; L290-F454 HydrophobicContact CD2-CG 4.4Å; L290-F454 HydrophobicContact CG-CD2 3.99Å; L290-F454 HydrophobicContact CG-CE2 3.69Å; L290-F454 HydrophobicContact CG-CZ 4.27Å; L291-F454 WeakPolarHBondContact O-CD2 3.35Å; L291-F454 VanDerWaalsContact O-CE2 3.31Å; L291-F454 WeakPolarHBondContact O-CE2 3.48Å; F292-F454 HydrophobicContact CD1-CB 4.14Å; F292-F454 HydrophobicContact CD1-CD2 4.42Å; F292-F454 HydrophobicContact CE1-CB 3.72Å; F292-F454 HydrophobicContact CE1-CD2 4.37Å; F292-F454 HydrophobicContact CE1-CG 4.49Å; F292-F454 HydrophobicContact CZ-CB 4.44Å; R448-F454 HydrophobicContact CB-CE1 4.35Å; R448-F454 HydrophobicContact CG-CD1 4.42Å; R448-F454 HydrophobicContact CG-CE1 3.59Å; R448-F454 HydrophobicContact CG-CZ 3.9Å; R448-F454 WeakPolarHBondContact O-CD1 3.24Å; A451-F454 HydrophobicContact CB-CB 4.1Å; A451-F454 WeakPolarHBondContact O-CB 3.3Å; A451-F454 PolarHBondContact O-N 3.32Å; A452-F454 PolarHBondContact O-N 3.35Å
455I98.6Very high98.5Very high47 Ų4748 Ų4824%0.24126%0.258CS..Hα-helixtrans-74.2-45.2-169.6-61.5166.5000112.1S449 A451 A452 T457S449-I455 WeakPolarHBondContact O-CD1 3.23Å; A451-I455 WeakPolarHBondContact O-CG1 3.33Å; A451-I455 PolarHBondContact O-N 2.97Å; A452-I455 PolarHBondContact O-N 3.36Å; I455-T457 PolarHBondContact O-N 2.7Å
456F98.1Very high98.5Very high166 Ų16644.9 Ų44.973%0.72824%0.243SC*.THydrogen-bonded Turntrans-99.537.3-168.2-57.2-69.9000113.1A452A452-F456 HydrophobicContact CB-CD2 4.01Å; A452-F456 HydrophobicContact CB-CE2 4.35Å; A452-F456 PolarHBondContact O-N 2.84Å
457T98.2Very high98.6Very high50 Ų5042.6 Ų42.631%0.30723%0.228SC..SBendtrans-135.1150.5176.2-170.10000111.7T263 T293 G453 I455T263-T457 WeakPolarHBondContact CA-O 3.29Å; T263-T457 WeakPolarHBondContact CB-O 3.41Å; T263-T457 WeakPolarHBondContact CG2-O 3.47Å; T293-T457 HydrophobicContact CG2-CG2 3.98Å; G453-T457 WeakPolarHBondContact O-CG2 3.16Å; I455-T457 PolarHBondContact O-N 2.7Å
458T98.5Very high98.6Very high84 Ų8442.6 Ų42.652%0.51523%0.228SC..BIsolated β-bridgetrans-63.5136.8171.8-55.10000109.5
459S98.3Very high98.6Very high14 Ų1441.3 Ų41.310%0.09822%0.223CC..PPolyproline II helixtrans-71.3159.5-178.3-148.40000112.8A260 G262 R264 G268 H273A260-S459 WeakPolarHBondContact CB-O 3.27Å; G262-S459 PolarHBondContact O-N 3.14Å; R264-S459 WeakPolarHBondContact CD-OG 3.37Å; G268-S459 WeakPolarHBondContact O-CB 3.47Å; H273-S459 PolarHBondContact CD2-OG 2.69Å; H273-S459 VanDerWaalsContact CD2-OG 3.26Å; H273-S459 PolarHBondContact NE2-OG 2.97Å
460L98.5Very high98.6Very high18 Ų1841 Ų419%0.09422%0.217CC..PPolyproline II helixtrans-63.4141-179.4-79.4173.1000112H273 F292 L465H273-L460 PolarHBondContact CE1-O 3.3Å; H273-L460 PolarHBondContact NE2-O 2.86Å; F292-L460 WeakPolarHBondContact O-CD1 3.31Å; L460-L465 HydrophobicContact CB-CD1 4.33Å; L460-L465 HydrophobicContact CB-CD2 3.7Å; L460-L465 HydrophobicContact CB-CG 4.19Å; L460-L465 HydrophobicContact CD1-CD2 3.73Å; L460-L465 HydrophobicContact CG-CD2 4.37Å
461P98.8Very high98.6Very high29 Ų2933.9 Ų33.919%0.18819%0.189CC..PPolyproline II helixtrans-47.6123.5172.5-34.639.9000113.5S258 M463 L464 L465S258-P461 VanDerWaalsContact O-CB 3.27Å; S258-P461 WeakPolarHBondContact O-CB 3.2Å; P461-M463 HydrophobicContact CB-CE 4.07Å; P461-M463 HydrophobicContact CB-CG 4.08Å; P461-M463 PolarHBondContact O-N 2.95Å; P461-M463 VanDerWaalsContact O-N 3.11Å; P461-L464 HydrophobicContact CB-CB 4.37Å; P461-L464 HydrophobicContact CB-CD1 3.79Å; P461-L464 HydrophobicContact CB-CG 3.91Å; P461-L464 HydrophobicContact CG-CD1 3.79Å; P461-L464 HydrophobicContact CG-CG 4.47Å; P461-L464 PolarHBondContact O-N 3.18Å; P461-L465 PolarHBondContact O-N 3.09Å
462P98.8Very high98.6Very high11 Ų1133.9 Ų33.97%0.07119%0.189CC..Hα-helixtrans-54.2-35.3-179-28.936.1000114T252 F272 L464 L465 A466T252-P462 HydrophobicContact CG2-CB 4.36Å; F272-P462 HydrophobicContact CD2-CB 3.84Å; F272-P462 HydrophobicContact CE2-CB 4.39Å; F272-P462 HydrophobicContact CG-CB 4.42Å; P462-L464 VanDerWaalsContact C-N 3.31Å; P462-L464 PolarHBondContact O-N 3.28Å; P462-L465 PolarHBondContact O-N 2.94Å; P462-A466 PolarHBondContact O-N 3.2Å
463M98.7Very high98.6Very high26 Ų2634.5 Ų34.513%0.12818%0.182CC..Hα-helixtrans-59-37.6175.766179.6177.800113.4I249 T252 L253 P461 G467I249-M463 WeakPolarHBondContact CG1-O 3.15Å; I249-M463 HydrophobicContact CG2-CB 4.18Å; I249-M463 HydrophobicContact CG2-CG 4.38Å; I249-M463 HydrophobicContact CG2-SD 4.49Å; T252-M463 HydrophobicContact CG2-CB 4.18Å; L253-M463 HydrophobicContact CB-CB 4.15Å; L253-M463 HydrophobicContact CB-SD 3.86Å; L253-M463 HydrophobicContact CD1-SD 3.77Å; L253-M463 HydrophobicContact CD2-SD 4.18Å; L253-M463 HydrophobicContact CG-SD 4.13Å; P461-M463 HydrophobicContact CB-CE 4.07Å; P461-M463 HydrophobicContact CB-CG 4.08Å; P461-M463 PolarHBondContact O-N 2.95Å; P461-M463 VanDerWaalsContact O-N 3.11Å; M463-G467 PolarHBondContact O-N 3.04Å; M463-G467 VanDerWaalsContact O-N 3.11Å
464L98.5Very high98.7Very high42 Ų4233.3 Ų33.322%0.2217%0.169CC..Hα-helixtrans-76-30.6-179.2-60.3175.4000111.1V433 P461 P462 A468V433-L464 HydrophobicContact CG1-CD1 3.67Å; P461-L464 HydrophobicContact CB-CB 4.37Å; P461-L464 HydrophobicContact CB-CD1 3.79Å; P461-L464 HydrophobicContact CB-CG 3.91Å; P461-L464 HydrophobicContact CG-CD1 3.79Å; P461-L464 HydrophobicContact CG-CG 4.47Å; P461-L464 PolarHBondContact O-N 3.18Å; P462-L464 VanDerWaalsContact C-N 3.31Å; P462-L464 PolarHBondContact O-N 3.28Å; L464-A468 WeakPolarHBondContact O-CB 3.24Å; L464-A468 PolarHBondContact O-N 3.25Å
465L98.9Very high98.7Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-72.2-39.2174.9-53.5-173.5000111.8F272 H273 L276 L291 L460 P461 P462 G467 A468 R469F272-L465 HydrophobicContact CB-CB 4.05Å; H273-L465 HydrophobicContact CB-CD1 4.22Å; H273-L465 VanDerWaalsContact CD2-CD1 3.42Å; H273-L465 WeakPolarHBondContact CD2-CD1 3.3Å; H273-L465 VanDerWaalsContact CE1-CD1 3.46Å; H273-L465 WeakPolarHBondContact CE1-CD1 3.27Å; H273-L465 VanDerWaalsContact CG-CD1 3.46Å; H273-L465 WeakPolarHBondContact ND1-CD1 3.35Å; H273-L465 WeakPolarHBondContact NE2-CD1 3.36Å; L276-L465 HydrophobicContact CD2-CB 3.97Å; L276-L465 HydrophobicContact CD2-CD2 3.83Å; L276-L465 HydrophobicContact CD2-CG 4.42Å; L291-L465 HydrophobicContact CD1-CD1 4.24Å; L291-L465 HydrophobicContact CD1-CD2 4.32Å; L460-L465 HydrophobicContact CB-CD1 4.33Å; L460-L465 HydrophobicContact CB-CD2 3.7Å; L460-L465 HydrophobicContact CB-CG 4.19Å; L460-L465 HydrophobicContact CD1-CD2 3.73Å; L460-L465 HydrophobicContact CG-CD2 4.37Å; P461-L465 PolarHBondContact O-N 3.09Å; P462-L465 PolarHBondContact O-N 2.94Å; L465-G467 VanDerWaalsContact C-N 3.34Å; L465-A468 PolarHBondContact O-N 3.48Å; L465-R469 WeakPolarHBondContact O-CB 3.38Å; L465-R469 PolarHBondContact O-N 3.24Å
466A98.9Very high98.7Very high7 Ų731.7 Ų31.76%0.05816%0.16CC..Hα-helixtrans-62.1-41.2172.300000112.1S248 T252 F272 P462 Q470S248-A466 PolarHBondContact OG-O 3.32Å; T252-A466 HydrophobicContact CG2-CB 4.02Å; T252-A466 WeakPolarHBondContact OG1-CB 3.14Å; F272-A466 HydrophobicContact CD1-CB 3.73Å; F272-A466 HydrophobicContact CE1-CB 3.93Å; P462-A466 PolarHBondContact O-N 3.2Å; A466-Q470 WeakPolarHBondContact O-CB 3.45Å; A466-Q470 PolarHBondContact O-N 3.48Å; A466-Q470 VanDerWaalsContact O-N 3.11Å
467G98.9Very high98.7Very high0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-60.9-50.1171.100000112.6M463 L465 R469 Q470 S471M463-G467 PolarHBondContact O-N 3.04Å; M463-G467 VanDerWaalsContact O-N 3.11Å; L465-G467 VanDerWaalsContact C-N 3.34Å; G467-R469 PolarHBondContact O-N 3.43Å; G467-Q470 PolarHBondContact O-N 3.39Å; G467-S471 PolarHBondContact O-N 3.35Å
468A98.9Very high98.6Very high0 Ų026.4 Ų26.40%014%0.141CC..Hα-helixtrans-61.3-44.2-179.400000112.3L276 L426 C432 L464 L465 Q470 S471 I472L276-A468 HydrophobicContact CD2-CB 4.07Å; L426-A468 HydrophobicContact CB-CB 4.4Å; L426-A468 HydrophobicContact CD1-CB 3.91Å; L426-A468 HydrophobicContact CD2-CB 4.29Å; L426-A468 HydrophobicContact CG-CB 4.43Å; C432-A468 HydrophobicContact CB-CB 3.92Å; C432-A468 VanDerWaalsContact SG-CA 3.57Å; C432-A468 PolarHBondContact SG-N 3.37Å; C432-A468 VanDerWaalsContact SG-N 3.4Å; L464-A468 WeakPolarHBondContact O-CB 3.24Å; L464-A468 PolarHBondContact O-N 3.25Å; L465-A468 PolarHBondContact O-N 3.48Å; A468-Q470 PolarHBondContact O-N 3.06Å; A468-S471 WeakPolarHBondContact O-CB 3.13Å; A468-S471 PolarHBondContact O-N 3.07Å; A468-I472 WeakPolarHBondContact O-CD1 3.37Å; A468-I472 WeakPolarHBondContact O-CG1 3.46Å; A468-I472 PolarHBondContact O-N 2.82Å
469R98.9Very high98.6Very high73 Ų7325.4 Ų25.428%0.27513%0.131SC..Hα-helixtrans-58.9-47.3174.9-172.5179.4177.6-151-6.7111.4E275 L276 E279 L465 G467 S471 I472 Q473E275-R469 VanDerWaalsContact CD-NH1 3.31Å; E275-R469 IonicContact OE2-CZ 2.73Å; E275-R469 IonicContact OE2-NH1 3.49Å; E275-R469 PolarHBondContact OE2-NH1 2.94Å; L276-R469 HydrophobicContact CD1-CB 4.06Å; E279-R469 HydrophobicContact CB-CG 4.32Å; E279-R469 HydrophobicContact CG-CG 4.12Å; E279-R469 IonicContact OE2-CZ 3.12Å; E279-R469 IonicContact OE2-NE 2.73Å; E279-R469 PolarHBondContact OE2-NE 2.96Å; E279-R469 IonicContact OE2-NH2 2.91Å; L465-R469 WeakPolarHBondContact O-CB 3.38Å; L465-R469 PolarHBondContact O-N 3.24Å; G467-R469 PolarHBondContact O-N 3.43Å; R469-S471 VanDerWaalsContact C-N 3.29Å; R469-S471 PolarHBondContact O-N 3.34Å; R469-I472 PolarHBondContact O-N 2.79Å; R469-Q473 WeakPolarHBondContact O-CG 3.34Å; R469-Q473 PolarHBondContact O-N 3.37Å
470Q98.9Very high98.6Very high45 Ų4524.7 Ų24.721%0.2113%0.126CC..Hα-helixtrans-62.2-37.1176.6-179.658.682.600112.1R244 V245 A466 G467 A468 T474R244-Q470 HydrophobicContact CB-CG 3.96Å; V245-Q470 HydrophobicContact CG2-CG 4.38Å; A466-Q470 WeakPolarHBondContact O-CB 3.45Å; A466-Q470 PolarHBondContact O-N 3.48Å; A466-Q470 VanDerWaalsContact O-N 3.11Å; G467-Q470 PolarHBondContact O-N 3.39Å; A468-Q470 PolarHBondContact O-N 3.06Å; Q470-T474 PolarHBondContact NE2-OG1 3.07Å; Q470-T474 PolarHBondContact O-N 2.92Å; Q470-T474 PolarHBondContact O-OG1 3.08Å; Q470-T474 VanDerWaalsContact O-OG1 3.13Å
471S98.9Very high98.6Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-66.4-44.1175.9-169.10000112M239 F430 G467 A468 R469 T474 L475M239-S471 VanDerWaalsContact CE-OG 3.31Å; M239-S471 WeakPolarHBondContact CE-OG 3.34Å; F430-S471 WeakPolarHBondContact CA-OG 3.23Å; F430-S471 WeakPolarHBondContact O-CB 3.37Å; F430-S471 PolarHBondContact O-OG 3.14Å; F430-S471 VanDerWaalsContact O-OG 3.1Å; G467-S471 PolarHBondContact O-N 3.35Å; A468-S471 WeakPolarHBondContact O-CB 3.13Å; A468-S471 PolarHBondContact O-N 3.07Å; R469-S471 VanDerWaalsContact C-N 3.29Å; R469-S471 PolarHBondContact O-N 3.34Å; S471-T474 PolarHBondContact O-N 2.82Å; S471-L475 WeakPolarHBondContact O-CG 3.33Å; S471-L475 PolarHBondContact O-N 3.47Å
472I98.9Very high98.5Very high0 Ų029.6 Ų29.60%014%0.143CC..Hα-helixtrans-60.8-47.4176.7-70.2157.6000110.3L276 E279 L280 L283 L426 F430 A468 R469 T474 L475 K476L276-I472 HydrophobicContact CD1-CD1 3.49Å; L276-I472 VanDerWaalsContact CD1-CD1 3.49Å; E279-I472 HydrophobicContact CG-CB 4.37Å; E279-I472 HydrophobicContact CG-CG2 3.77Å; L280-I472 HydrophobicContact CD2-CD1 3.67Å; L280-I472 HydrophobicContact CG-CD1 4.24Å; L283-I472 HydrophobicContact CD2-CG2 4.21Å; L426-I472 HydrophobicContact CD2-CD1 4.16Å; F430-I472 HydrophobicContact CD1-CB 4.41Å; F430-I472 HydrophobicContact CD1-CG1 3.55Å; F430-I472 HydrophobicContact CD2-CG1 4.25Å; F430-I472 HydrophobicContact CE1-CB 4.2Å; F430-I472 HydrophobicContact CE1-CG1 3.48Å; F430-I472 VanDerWaalsContact CE1-CG1 3.48Å; F430-I472 HydrophobicContact CE2-CG1 4.17Å; F430-I472 HydrophobicContact CG-CG1 3.98Å; F430-I472 HydrophobicContact CZ-CG1 3.81Å; A468-I472 WeakPolarHBondContact O-CD1 3.37Å; A468-I472 WeakPolarHBondContact O-CG1 3.46Å; A468-I472 PolarHBondContact O-N 2.82Å; R469-I472 PolarHBondContact O-N 2.79Å; I472-T474 VanDerWaalsContact C-N 3.33Å; I472-T474 PolarHBondContact O-N 2.74Å; I472-L475 PolarHBondContact O-N 2.69Å; I472-L475 VanDerWaalsContact O-N 3.14Å; I472-K476 HydrophobicContact CG2-CD 3.58Å; I472-K476 HydrophobicContact CG2-CG 4.31Å; I472-K476 VanDerWaalsContact O-CG 3.3Å; I472-K476 WeakPolarHBondContact O-CG 3.38Å; I472-K476 PolarHBondContact O-N 3.14Å
473Q98.8Very high98.5Very high71 Ų7130 Ų3033%0.33215%0.145SC..Hα-helixtrans-60.2-40.6177.7-72.1175.5-11.900112.6E279 R469 G477E279-Q473 HydrophobicContact CG-CG 4.42Å; E279-Q473 WeakPolarHBondContact OE1-CG 3.42Å; E279-Q473 PolarHBondContact OE2-NE2 2.98Å; R469-Q473 WeakPolarHBondContact O-CG 3.34Å; R469-Q473 PolarHBondContact O-N 3.37Å; Q473-G477 PolarHBondContact O-N 3.39Å
474T98.8Very high98.5Very high3 Ų329.5 Ų29.52%0.01814%0.141CC..Hα-helixtrans-63-45.8172.7-66.60000111.8M239 R244 Q470 S471 I472 K476 G477 E479 G480M239-T474 HydrophobicContact CE-CG2 3.76Å; R244-T474 PolarHBondContact NH2-OG1 2.79Å; Q470-T474 PolarHBondContact NE2-OG1 3.07Å; Q470-T474 PolarHBondContact O-N 2.92Å; Q470-T474 PolarHBondContact O-OG1 3.08Å; Q470-T474 VanDerWaalsContact O-OG1 3.13Å; S471-T474 PolarHBondContact O-N 2.82Å; I472-T474 VanDerWaalsContact C-N 3.33Å; I472-T474 PolarHBondContact O-N 2.74Å; T474-K476 VanDerWaalsContact C-N 3.33Å; T474-K476 PolarHBondContact O-N 3.33Å; T474-G477 PolarHBondContact O-N 2.97Å; T474-E479 HydrophobicContact CG2-CB 4.27Å; T474-E479 HydrophobicContact CG2-CG 4.16Å; T474-E479 VanDerWaalsContact CG2-OE2 3.28Å; T474-E479 WeakPolarHBondContact CG2-OE2 3.49Å; T474-G480 PolarHBondContact O-N 3.31Å
475L98.8Very high98.4Very high1 Ų133.4 Ų33.41%0.00515%0.153CC..Hα-helixtrans-73.6-19.1-177.6-66.5-168.8000114.6L237 M239 A429 F430 S471 I472 G480 L483 R484L237-L475 HydrophobicContact CD1-CD1 3.77Å; L237-L475 HydrophobicContact CD1-CD2 3.6Å; L237-L475 HydrophobicContact CD1-CG 4.37Å; M239-L475 HydrophobicContact CE-CD2 4.29Å; M239-L475 HydrophobicContact CE-CG 4.38Å; M239-L475 HydrophobicContact CG-CD1 4.24Å; M239-L475 HydrophobicContact CG-CD2 4.19Å; M239-L475 HydrophobicContact CG-CG 4.39Å; M239-L475 HydrophobicContact SD-CD2 3.93Å; M239-L475 HydrophobicContact SD-CG 4.49Å; A429-L475 HydrophobicContact CB-CD1 4.49Å; F430-L475 HydrophobicContact CD1-CD1 3.68Å; F430-L475 HydrophobicContact CD1-CG 4.49Å; F430-L475 HydrophobicContact CE1-CB 4.36Å; F430-L475 HydrophobicContact CE1-CD1 3.85Å; S471-L475 WeakPolarHBondContact O-CG 3.33Å; S471-L475 PolarHBondContact O-N 3.47Å; I472-L475 PolarHBondContact O-N 2.69Å; I472-L475 VanDerWaalsContact O-N 3.14Å; L475-G480 WeakPolarHBondContact O-CA 3.08Å; L475-L483 HydrophobicContact CD2-CD1 4.01Å; L475-R484 PolarHBondContact O-NH1 2.84Å; L475-R484 PolarHBondContact O-NH2 3.48Å
476K98.5Very high98.3Very high26 Ų2636.5 Ų36.511%0.11317%0.167CC..Hα-helixtrans-75.2-24.6169.5-72.8164.671.2172.60113.3E279 D282 L283 R405 I472 T474 R481E279-K476 IonicContact OE1-NZ 3.26Å; E279-K476 PolarHBondContact OE1-NZ 2.84Å; D282-K476 IonicContact OD2-NZ 3.91Å; D282-K476 PolarHBondContact OD2-NZ 3.23Å; L283-K476 HydrophobicContact CD1-CD 4.02Å; L283-K476 HydrophobicContact CD1-CG 3.83Å; R405-K476 HydrophobicContact CB-CG 4.38Å; R405-K476 VanDerWaalsContact O-CA 3.31Å; R405-K476 WeakPolarHBondContact O-CA 3.12Å; R405-K476 WeakPolarHBondContact O-CG 3.46Å; I472-K476 HydrophobicContact CG2-CD 3.58Å; I472-K476 HydrophobicContact CG2-CG 4.31Å; I472-K476 VanDerWaalsContact O-CG 3.3Å; I472-K476 WeakPolarHBondContact O-CG 3.38Å; I472-K476 PolarHBondContact O-N 3.14Å; T474-K476 VanDerWaalsContact C-N 3.33Å; T474-K476 PolarHBondContact O-N 3.33Å; K476-R481 PolarHBondContact O-NH1 3.47Å
477G97.7Very high98.3Very high28 Ų2836.1 Ų36.129%0.28916%0.164SC..SBendtrans-82.1-171.9-179.300000114.6Q473 T474 G480 R481Q473-G477 PolarHBondContact O-N 3.39Å; T474-G477 PolarHBondContact O-N 2.97Å; G477-G480 PolarHBondContact O-N 3.06Å; G477-R481 PolarHBondContact O-N 3.14Å
478E97.4Very high98.1Very high76 Ų7638.1 Ų38.136%0.35517%0.173SC..Hα-helixtrans-64.2-39.4176.9-172.256.3-12900112.3G480 R481 M482 R485E478-G480 PolarHBondContact O-N 3.23Å; E478-R481 WeakPolarHBondContact O-CA 3.46Å; E478-R481 WeakPolarHBondContact O-CB 3.48Å; E478-R481 PolarHBondContact O-N 2.66Å; E478-R481 IonicContact OE1-NE 2.68Å; E478-R481 IonicContact OE2-CZ 3.72Å; E478-R481 IonicContact OE2-NE 2.73Å; E478-R481 PolarHBondContact OE2-NE 3.12Å; E478-R481 IonicContact OE2-NH2 2.73Å; E478-R481 PolarHBondContact OE2-NH2 3.32Å; E478-M482 PolarHBondContact O-N 3.46Å; E478-R485 IonicContact OE1-CZ 3.68Å; E478-R485 IonicContact OE1-NH1 2.6Å; E478-R485 PolarHBondContact OE1-NH1 2.93Å; E478-R485 IonicContact OE1-NH2 3.47Å; E478-R485 PolarHBondContact OE1-NH2 2.83Å
479E98.4Very high97.9Very high63 Ų6341.3 Ų41.329%0.29419%0.185SC..Hα-helixtrans-54.8-41.4175.7-173-179.9175.700111.2H242 R244 T474 M482 L483H242-E479 IonicContact CD2-OE1 3.13Å; H242-E479 PolarHBondContact CD2-OE1 3.37Å; H242-E479 IonicContact CE1-OE2 3.76Å; H242-E479 CovalentContact NE2-OE1 1.75Å; H242-E479 IonicContact NE2-OE1 2.8Å; H242-E479 PolarHBondContact NE2-OE1 2.88Å; H242-E479 IonicContact NE2-OE2 2.69Å; H242-E479 PolarHBondContact NE2-OE2 2.95Å; R244-E479 IonicContact CZ-OE2 3.58Å; R244-E479 IonicContact NE-OE2 3.34Å; R244-E479 IonicContact NH2-OE2 3.47Å; R244-E479 PolarHBondContact NH2-OE2 2.9Å; T474-E479 HydrophobicContact CG2-CB 4.27Å; T474-E479 HydrophobicContact CG2-CG 4.16Å; T474-E479 VanDerWaalsContact CG2-OE2 3.28Å; T474-E479 WeakPolarHBondContact CG2-OE2 3.49Å; E479-M482 PolarHBondContact O-N 2.8Å; E479-L483 HydrophobicContact CG-CD1 4.14Å; E479-L483 WeakPolarHBondContact O-CB 3.26Å; E479-L483 VanDerWaalsContact O-CG 3.27Å; E479-L483 WeakPolarHBondContact O-CG 3.23Å; E479-L483 PolarHBondContact O-N 2.75Å
480G98.4Very high97.8Very high0 Ų038.1 Ų38.10%017%0.173CC..Hα-helixtrans-61.1-44.417300000114T474 L475 G477 E478 R484T474-G480 PolarHBondContact O-N 3.31Å; L475-G480 WeakPolarHBondContact O-CA 3.08Å; G477-G480 PolarHBondContact O-N 3.06Å; E478-G480 PolarHBondContact O-N 3.23Å; G480-R484 WeakPolarHBondContact O-CB 3.42Å; G480-R484 WeakPolarHBondContact O-CG 3.43Å; G480-R484 PolarHBondContact O-N 2.61Å; G480-R484 PolarHBondContact O-NH1 2.92Å
481R97.8Very high97.6Very high86 Ų8636 Ų3633%0.32516%0.164SC..Hα-helixtrans-63.4-44175.9-69.9-173.8-73-87.87.2111.3A404 K476 G477 E478 R484 R485A404-R481 WeakPolarHBondContact O-CG 3Å; K476-R481 PolarHBondContact O-NH1 3.47Å; G477-R481 PolarHBondContact O-N 3.14Å; E478-R481 WeakPolarHBondContact O-CA 3.46Å; E478-R481 WeakPolarHBondContact O-CB 3.48Å; E478-R481 PolarHBondContact O-N 2.66Å; E478-R481 IonicContact OE1-NE 2.68Å; E478-R481 IonicContact OE2-CZ 3.72Å; E478-R481 IonicContact OE2-NE 2.73Å; E478-R481 PolarHBondContact OE2-NE 3.12Å; E478-R481 IonicContact OE2-NH2 2.73Å; E478-R481 PolarHBondContact OE2-NH2 3.32Å; R481-R484 WeakPolarHBondContact O-CB 3.26Å; R481-R484 PolarHBondContact O-N 3.2Å; R481-R485 WeakPolarHBondContact O-CG 3.32Å; R481-R485 PolarHBondContact O-N 2.86Å
482M97.4Very high97.3Very high64 Ų6438.8 Ų38.832%0.31518%0.177SC..Hα-helixtrans-66.1-41.7179.2-163.3-116.7-80.200111.8E478 E479 R484 R485 K486E478-M482 PolarHBondContact O-N 3.46Å; E479-M482 PolarHBondContact O-N 2.8Å; M482-R484 PolarHBondContact O-N 2.89Å; M482-R485 PolarHBondContact O-N 3.39Å; M482-K486 WeakPolarHBondContact O-CB 3.39Å; M482-K486 PolarHBondContact O-N 3.3Å
483L98.4Very high97Very high19 Ų1938.8 Ų38.810%0.09918%0.177CC..Hα-helixtrans-60.2-42.2170.3-75.4170.4000112.1L237 M239 L475 E479 K486 H487 P559L237-L483 HydrophobicContact CD1-CB 4.44Å; L237-L483 HydrophobicContact CD2-CB 4.39Å; M239-L483 HydrophobicContact SD-CD1 4.15Å; L475-L483 HydrophobicContact CD2-CD1 4.01Å; E479-L483 HydrophobicContact CG-CD1 4.14Å; E479-L483 WeakPolarHBondContact O-CB 3.26Å; E479-L483 VanDerWaalsContact O-CG 3.27Å; E479-L483 WeakPolarHBondContact O-CG 3.23Å; E479-L483 PolarHBondContact O-N 2.75Å; L483-K486 PolarHBondContact O-N 2.91Å; L483-H487 VanDerWaalsContact O-CB 3.24Å; L483-H487 WeakPolarHBondContact O-CB 3.14Å; L483-H487 PolarHBondContact O-N 3.31Å; L483-P559 HydrophobicContact CD2-CB 4.11Å; L483-P559 HydrophobicContact CD2-CG 4.14Å; L483-P559 WeakPolarHBondContact O-CG 3.47Å
484R98.3Very high96.8Very high16 Ų1635.4 Ų35.46%0.0616%0.161CC..Hα-helixtrans-61.8-46.4174.3-76.8-171.8-75.3-72.92.9111.8G400 L401 G403 A404 L475 G480 R481 M482 H487 Q488G400-R484 WeakPolarHBondContact O-CD 3.36Å; G400-R484 WeakPolarHBondContact O-CG 3.47Å; G400-R484 PolarHBondContact O-NH1 3.02Å; L401-R484 WeakPolarHBondContact O-CD 3.4Å; L401-R484 WeakPolarHBondContact O-CG 3.26Å; G403-R484 PolarHBondContact O-NE 3.14Å; A404-R484 PolarHBondContact O-NH2 3.34Å; L475-R484 PolarHBondContact O-NH1 2.84Å; L475-R484 PolarHBondContact O-NH2 3.48Å; G480-R484 WeakPolarHBondContact O-CB 3.42Å; G480-R484 WeakPolarHBondContact O-CG 3.43Å; G480-R484 PolarHBondContact O-N 2.61Å; G480-R484 PolarHBondContact O-NH1 2.92Å; R481-R484 WeakPolarHBondContact O-CB 3.26Å; R481-R484 PolarHBondContact O-N 3.2Å; M482-R484 PolarHBondContact O-N 2.89Å; R484-H487 WeakPolarHBondContact O-CB 3.38Å; R484-H487 PolarHBondContact O-N 3.31Å; R484-Q488 WeakPolarHBondContact O-CG 3.31Å; R484-Q488 PolarHBondContact O-N 3.16Å
485R96Very high96.5Very high123 Ų12335.6 Ų35.646%0.46416%0.161SC..Hα-helixtrans-56.2-52174.9-68.5-171.8-64.3-94.810.1111.1E119 E478 R481 M482 H487 Q488 R489E119-R485 IonicContact OE2-NH2 3.65Å; E478-R485 IonicContact OE1-CZ 3.68Å; E478-R485 IonicContact OE1-NH1 2.6Å; E478-R485 PolarHBondContact OE1-NH1 2.93Å; E478-R485 IonicContact OE1-NH2 3.47Å; E478-R485 PolarHBondContact OE1-NH2 2.83Å; R481-R485 WeakPolarHBondContact O-CG 3.32Å; R481-R485 PolarHBondContact O-N 2.86Å; M482-R485 PolarHBondContact O-N 3.39Å; R485-H487 VanDerWaalsContact C-N 3.33Å; R485-H487 PolarHBondContact O-N 2.84Å; R485-Q488 PolarHBondContact O-N 3.1Å; R485-R489 PolarHBondContact O-N 3.32Å; R485-R489 VanDerWaalsContact O-N 3.11Å
486K96.9Very high96Very high65 Ų6536.8 Ų36.828%0.28317%0.167SC..Hα-helixtrans-63.1-36.5179.6-165.5170.5-176.2175.40112.6M482 L483 N490 P559M482-K486 WeakPolarHBondContact O-CB 3.39Å; M482-K486 PolarHBondContact O-N 3.3Å; L483-K486 PolarHBondContact O-N 2.91Å; K486-N490 WeakPolarHBondContact O-CB 3.4Å; K486-N490 VanDerWaalsContact O-CG 3.3Å; K486-N490 PolarHBondContact O-N 3.15Å; K486-N490 VanDerWaalsContact O-N 3.14Å; K486-N490 PolarHBondContact O-OD1 2.92Å; K486-P559 HydrophobicContact CB-CB 4.13Å; K486-P559 HydrophobicContact CD-CB 4.05Å; K486-P559 VanDerWaalsContact CE-O 3.23Å; K486-P559 WeakPolarHBondContact CE-O 3.2Å; K486-P559 HydrophobicContact CG-CB 3.94Å
487H98.6Very high95.8Very high0 Ų036.2 Ų36.20%017%0.165CC..Hα-helixtrans-62.6-54.4175-176.9-147.3000111.9L237 L483 R484 R485 R489 N490 V491 H511 P557 P559L237-H487 HydrophobicContact CD2-CB 3.9Å; L483-H487 VanDerWaalsContact O-CB 3.24Å; L483-H487 WeakPolarHBondContact O-CB 3.14Å; L483-H487 PolarHBondContact O-N 3.31Å; R484-H487 WeakPolarHBondContact O-CB 3.38Å; R484-H487 PolarHBondContact O-N 3.31Å; R485-H487 VanDerWaalsContact C-N 3.33Å; R485-H487 PolarHBondContact O-N 2.84Å; H487-R489 VanDerWaalsContact C-N 3.34Å; H487-R489 PolarHBondContact O-N 3.06Å; H487-N490 PolarHBondContact O-N 3Å; H487-N490 VanDerWaalsContact O-N 3.17Å; H487-V491 WeakPolarHBondContact O-CG2 3.34Å; H487-V491 PolarHBondContact O-N 3.25Å; H487-H511 WeakPolarHBondContact CE1-CB 3.27Å; H487-H511 AromaticContact CE1-CD2 3.75Å; H487-H511 AromaticContact CE1-CG 3.55Å; H487-P557 PolarHBondContact CD2-O 2.95Å; H487-P557 PolarHBondContact NE2-O 2.9Å; H487-P559 HydrophobicContact CB-CG 3.82Å
488Q95.6Very high95.6Very high42 Ų4234.9 Ų34.920%0.19615%0.151CC..Hα-helixtrans-63.7-39-177.2-61.4-59.3-18.500111.9R484 R485 N490 V491 Q492R484-Q488 WeakPolarHBondContact O-CG 3.31Å; R484-Q488 PolarHBondContact O-N 3.16Å; R485-Q488 PolarHBondContact O-N 3.1Å; Q488-N490 PolarHBondContact O-N 3.44Å; Q488-V491 WeakPolarHBondContact O-CB 3.19Å; Q488-V491 PolarHBondContact O-N 2.81Å; Q488-Q492 VanDerWaalsContact O-CG 3.3Å; Q488-Q492 WeakPolarHBondContact O-CG 3.21Å; Q488-Q492 PolarHBondContact O-N 2.91Å
489R93.9Very high95.3Very high66 Ų6631.6 Ų31.625%0.24914%0.136CC..Hα-helixtrans-59-44173.3-174.4172.462.3114.9-5112.3R485 H487 Q492 L493 E608 F612R485-R489 PolarHBondContact O-N 3.32Å; R485-R489 VanDerWaalsContact O-N 3.11Å; H487-R489 VanDerWaalsContact C-N 3.34Å; H487-R489 PolarHBondContact O-N 3.06Å; R489-Q492 PolarHBondContact O-N 3.4Å; R489-L493 WeakPolarHBondContact O-CB 3.4Å; R489-L493 PolarHBondContact O-N 3.33Å; R489-E608 VanDerWaalsContact CD-OE1 3.23Å; R489-E608 WeakPolarHBondContact CD-OE1 3.36Å; R489-F612 HydrophobicContact CG-CE2 4.01Å; R489-F612 HydrophobicContact CG-CZ 4.06Å
490N96.8Very high94.7Very high6 Ų631.4 Ų31.43%0.03214%0.137CC..Hα-helixtrans-67.9-36.1177-75.88.5000112.7K486 H487 Q488 L494 T558 H561 M566K486-N490 WeakPolarHBondContact O-CB 3.4Å; K486-N490 VanDerWaalsContact O-CG 3.3Å; K486-N490 PolarHBondContact O-N 3.15Å; K486-N490 VanDerWaalsContact O-N 3.14Å; K486-N490 PolarHBondContact O-OD1 2.92Å; H487-N490 PolarHBondContact O-N 3Å; H487-N490 VanDerWaalsContact O-N 3.17Å; Q488-N490 PolarHBondContact O-N 3.44Å; N490-L494 WeakPolarHBondContact O-CB 3.49Å; N490-L494 PolarHBondContact O-N 3.13Å; N490-L494 VanDerWaalsContact O-N 3.07Å; N490-T558 PolarHBondContact ND2-O 3.41Å; N490-H561 PolarHBondContact ND2-O 3.35Å; N490-M566 HydrophobicContact CB-CE 3.67Å; N490-M566 VanDerWaalsContact CG-CE 3.48Å
491V96.1Very high94.4Very high1 Ų132.8 Ų32.81%0.00615%0.148CC..Hα-helixtrans-61.3-51.2172.6170.10000110.6H487 Q488 L494 R495 H511 I513 P557H487-V491 WeakPolarHBondContact O-CG2 3.34Å; H487-V491 PolarHBondContact O-N 3.25Å; Q488-V491 WeakPolarHBondContact O-CB 3.19Å; Q488-V491 PolarHBondContact O-N 2.81Å; V491-L494 PolarHBondContact O-N 2.87Å; V491-R495 VanDerWaalsContact O-CB 3.28Å; V491-R495 WeakPolarHBondContact O-CB 3.3Å; V491-R495 PolarHBondContact O-N 3.16Å; V491-H511 HydrophobicContact CG2-CB 3.76Å; V491-I513 HydrophobicContact CG1-CD1 4.27Å; V491-I513 HydrophobicContact CG1-CG1 4.32Å; V491-P557 HydrophobicContact CB-CG 4.37Å; V491-P557 HydrophobicContact CG2-CG 3.79Å
492Q91.3Very high94.2Very high58 Ų5829.1 Ų29.127%0.27114%0.137SC..Hα-helixtrans-60.1-48.7-178.5-72167.9-5.100111.3Q488 R489 R495 Q496 F601Q488-Q492 VanDerWaalsContact O-CG 3.3Å; Q488-Q492 WeakPolarHBondContact O-CG 3.21Å; Q488-Q492 PolarHBondContact O-N 2.91Å; R489-Q492 PolarHBondContact O-N 3.4Å; Q492-R495 PolarHBondContact O-N 3.1Å; Q492-Q496 PolarHBondContact O-N 3.37Å; Q492-F601 HydrophobicContact CG-CD1 4.31Å; Q492-F601 HydrophobicContact CG-CE1 4.35Å
493L92.2Very high94Very high0 Ų026.1 Ų26.10%012%0.122CC..Hα-helixtrans-57.4-53.7177.1178.864.5000111.5R489 R495 Q496 M497 P563 M566 F612R489-L493 WeakPolarHBondContact O-CB 3.4Å; R489-L493 PolarHBondContact O-N 3.33Å; L493-R495 VanDerWaalsContact C-N 3.33Å; L493-R495 PolarHBondContact O-N 3.06Å; L493-Q496 PolarHBondContact O-N 3.11Å; L493-M497 HydrophobicContact CD1-CG 4.32Å; L493-M497 HydrophobicContact CD1-SD 4.08Å; L493-M497 HydrophobicContact CG-SD 3.88Å; L493-M497 VanDerWaalsContact O-CG 3.26Å; L493-M497 WeakPolarHBondContact O-CG 3.36Å; L493-M497 PolarHBondContact O-N 3.38Å; L493-P563 HydrophobicContact CD2-CB 4.31Å; L493-P563 HydrophobicContact CD2-CG 4.39Å; L493-M566 HydrophobicContact CB-SD 4.46Å; L493-M566 HydrophobicContact CD2-CE 4.44Å; L493-M566 HydrophobicContact CD2-SD 3.92Å; L493-M566 HydrophobicContact CG-SD 4.22Å; L493-F612 HydrophobicContact CD1-CD1 4.25Å; L493-F612 HydrophobicContact CD1-CG 4.35Å; L493-F612 HydrophobicContact CD2-CD1 3.84Å; L493-F612 HydrophobicContact CD2-CE1 3.55Å; L493-F612 HydrophobicContact CD2-CZ 4.11Å
494L95.7Very high93.7Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-62.9-39.8-178.7-178.658.4000112W231 N490 V491 M497 L498 I513 I555 P557 M566 F569 V570W231-L494 HydrophobicContact CE3-CD2 4.19Å; W231-L494 HydrophobicContact CZ3-CD2 3.85Å; N490-L494 WeakPolarHBondContact O-CB 3.49Å; N490-L494 PolarHBondContact O-N 3.13Å; N490-L494 VanDerWaalsContact O-N 3.07Å; V491-L494 PolarHBondContact O-N 2.87Å; L494-M497 PolarHBondContact O-N 2.92Å; L494-L498 HydrophobicContact CD1-CD1 4.05Å; L494-L498 HydrophobicContact CD1-CG 4.1Å; L494-L498 HydrophobicContact CG-CD1 3.82Å; L494-L498 HydrophobicContact CG-CG 4.36Å; L494-L498 WeakPolarHBondContact O-CB 3.47Å; L494-L498 WeakPolarHBondContact O-CD1 3.49Å; L494-L498 WeakPolarHBondContact O-CG 3.17Å; L494-L498 PolarHBondContact O-N 2.99Å; L494-I513 HydrophobicContact CB-CD1 4.13Å; L494-I513 HydrophobicContact CD2-CD1 4.18Å; L494-I513 HydrophobicContact CG-CD1 4.12Å; L494-I555 HydrophobicContact CD2-CG2 3.84Å; L494-P557 HydrophobicContact CD2-CB 3.78Å; L494-P557 HydrophobicContact CD2-CG 3.99Å; L494-M566 HydrophobicContact CB-CG 4.39Å; L494-M566 HydrophobicContact CB-SD 3.89Å; L494-M566 HydrophobicContact CD1-CB 4.08Å; L494-M566 HydrophobicContact CD1-CG 4.21Å; L494-F569 HydrophobicContact CD1-CD1 4.25Å; L494-V570 HydrophobicContact CD1-CG2 3.7Å
495R93.2Very high93.4Very high7 Ų726.2 Ų26.23%0.02613%0.126CC..Hα-helixtrans-59.3-47.6176-179.2174.6-64.91444.7111V491 Q492 L493 L498 M499 V505 C508 S510 I512 I513V491-R495 VanDerWaalsContact O-CB 3.28Å; V491-R495 WeakPolarHBondContact O-CB 3.3Å; V491-R495 PolarHBondContact O-N 3.16Å; Q492-R495 PolarHBondContact O-N 3.1Å; L493-R495 VanDerWaalsContact C-N 3.33Å; L493-R495 PolarHBondContact O-N 3.06Å; R495-L498 PolarHBondContact O-N 2.69Å; R495-M499 HydrophobicContact CG-SD 3.86Å; R495-M499 WeakPolarHBondContact O-CG 3.4Å; R495-M499 PolarHBondContact O-N 2.89Å; R495-V505 HydrophobicContact CG-CG1 4.37Å; R495-C508 PolarHBondContact NH1-O 3.21Å; R495-C508 PolarHBondContact NH2-O 3.33Å; R495-S510 PolarHBondContact NH2-O 3.17Å; R495-I512 PolarHBondContact NH2-O 3.26Å; R495-I512 VanDerWaalsContact NH2-O 3.07Å; R495-I513 HydrophobicContact CB-CD1 4.06Å
496Q88.3Confident92.8Very high26 Ų2621.4 Ų21.412%0.12111%0.11CC..Hα-helixtrans-60.3-49.7178.1-168.162.948.700110.9Q492 L493 L498 M499 D500 H617 I619Q492-Q496 PolarHBondContact O-N 3.37Å; L493-Q496 PolarHBondContact O-N 3.11Å; Q496-L498 VanDerWaalsContact C-N 3.28Å; Q496-L498 PolarHBondContact O-N 2.94Å; Q496-M499 PolarHBondContact O-N 3.38Å; Q496-M499 VanDerWaalsContact O-N 3.08Å; Q496-D500 PolarHBondContact NE2-OD1 3.41Å; Q496-D500 WeakPolarHBondContact O-CB 3.35Å; Q496-D500 PolarHBondContact O-N 3.28Å; Q496-H617 PolarHBondContact NE2-O 3.3Å; Q496-I619 VanDerWaalsContact NE2-CD1 3.33Å
497M93.1Very high91.9Very high14 Ų1418.4 Ų18.47%0.06910%0.098CC..Hα-helixtrans-57.9-37.5178.6-64.5171.874.800113.1L493 L494 A501 M566 K567 V570 L615L493-M497 HydrophobicContact CD1-CG 4.32Å; L493-M497 HydrophobicContact CD1-SD 4.08Å; L493-M497 HydrophobicContact CG-SD 3.88Å; L493-M497 VanDerWaalsContact O-CG 3.26Å; L493-M497 WeakPolarHBondContact O-CG 3.36Å; L493-M497 PolarHBondContact O-N 3.38Å; L494-M497 PolarHBondContact O-N 2.92Å; M497-A501 VanDerWaalsContact O-CB 3.29Å; M497-A501 WeakPolarHBondContact O-CB 3.47Å; M497-A501 PolarHBondContact O-N 3.33Å; M497-A501 VanDerWaalsContact O-N 3.16Å; M497-M566 HydrophobicContact CE-CB 4.42Å; M497-M566 HydrophobicContact SD-CB 4.13Å; M497-K567 HydrophobicContact CE-CB 3.9Å; M497-V570 HydrophobicContact CB-CG2 3.98Å; M497-L615 WeakPolarHBondContact CG-O 3.47Å
498L94.1Very high90.9Very high0 Ų018.4 Ų18.40%010%0.098CC..Hα-helixtrans-70.8-38176.6-69.5164.7000112.4L494 R495 Q496 L503 V505 I513 I515 I555 F569 V570 L573L494-L498 HydrophobicContact CD1-CD1 4.05Å; L494-L498 HydrophobicContact CD1-CG 4.1Å; L494-L498 HydrophobicContact CG-CD1 3.82Å; L494-L498 HydrophobicContact CG-CG 4.36Å; L494-L498 WeakPolarHBondContact O-CB 3.47Å; L494-L498 WeakPolarHBondContact O-CD1 3.49Å; L494-L498 WeakPolarHBondContact O-CG 3.17Å; L494-L498 PolarHBondContact O-N 2.99Å; R495-L498 PolarHBondContact O-N 2.69Å; Q496-L498 VanDerWaalsContact C-N 3.28Å; Q496-L498 PolarHBondContact O-N 2.94Å; L498-L503 HydrophobicContact CB-CD1 4.49Å; L498-L503 HydrophobicContact CD2-CD1 3.49Å; L498-L503 VanDerWaalsContact CD2-CD1 3.49Å; L498-L503 WeakPolarHBondContact O-CB 3.33Å; L498-L503 PolarHBondContact O-N 3.04Å; L498-L503 VanDerWaalsContact O-N 3.15Å; L498-V505 HydrophobicContact CB-CG2 3.59Å; L498-I513 HydrophobicContact CD1-CG2 3.8Å; L498-I515 HydrophobicContact CD1-CD1 4.12Å; L498-I515 HydrophobicContact CD2-CD1 3.9Å; L498-I555 HydrophobicContact CD1-CD1 3.89Å; L498-F569 HydrophobicContact CD2-CE1 4.2Å; L498-V570 HydrophobicContact CD2-CG1 4.49Å; L498-V570 HydrophobicContact CD2-CG2 3.77Å; L498-V570 HydrophobicContact CG-CG2 4.05Å; L498-L573 HydrophobicContact CD2-CD2 3.98Å
499M90.3Very high90.4Very high7 Ų719.4 Ų19.43%0.03411%0.107CC..Hα-helixtrans-70.4-43.8176.5-69.817465.800111.7R495 Q496 A501 G502 V505 H507 H587 I619R495-M499 HydrophobicContact CG-SD 3.86Å; R495-M499 WeakPolarHBondContact O-CG 3.4Å; R495-M499 PolarHBondContact O-N 2.89Å; Q496-M499 PolarHBondContact O-N 3.38Å; Q496-M499 VanDerWaalsContact O-N 3.08Å; M499-A501 PolarHBondContact O-N 3.17Å; M499-G502 WeakPolarHBondContact O-CA 3.49Å; M499-G502 PolarHBondContact O-N 3.35Å; M499-V505 HydrophobicContact CG-CB 4.06Å; M499-V505 HydrophobicContact CG-CG2 3.99Å; M499-H507 WeakPolarHBondContact CE-ND1 3.19Å; M499-H507 VanDerWaalsContact SD-CE1 3.56Å; M499-H507 PolarHBondContact SD-ND1 2.79Å; M499-H507 VanDerWaalsContact SD-ND1 3.42Å; M499-H587 HydrophobicContact CE-CB 4.03Å; M499-I619 HydrophobicContact CB-CD1 3.85Å; M499-I619 HydrophobicContact CE-CD1 3.88Å
500D87.1Confident90.4Very high59 Ų5916.2 Ų16.232%0.31610%0.095SC..Hα-helixtrans-58.6-35.9174.9-66.3-6.2000111.7Q496 G502 S616 H617Q496-D500 PolarHBondContact NE2-OD1 3.41Å; Q496-D500 WeakPolarHBondContact O-CB 3.35Å; Q496-D500 PolarHBondContact O-N 3.28Å; D500-G502 PolarHBondContact O-N 3.3Å; D500-S616 WeakPolarHBondContact OD2-CA 3.47Å; D500-S616 VanDerWaalsContact OD2-CB 3.3Å; D500-S616 WeakPolarHBondContact OD2-CB 3.48Å; D500-H617 VanDerWaalsContact OD1-O 3.1Å; D500-H617 PolarHBondContact OD2-N 3.29Å
501A92Very high90.4Very high30 Ų3016 Ų1625%0.2489%0.094CC..THydrogen-bonded Turntrans-73.1-3.9174.900000114.4M497 M499 V570 V574M497-A501 VanDerWaalsContact O-CB 3.29Å; M497-A501 WeakPolarHBondContact O-CB 3.47Å; M497-A501 PolarHBondContact O-N 3.33Å; M497-A501 VanDerWaalsContact O-N 3.16Å; M499-A501 PolarHBondContact O-N 3.17Å; A501-V570 HydrophobicContact CB-CG1 3.86Å; A501-V574 HydrophobicContact CB-CG2 3.68Å
502G92.4Very high90.4Very high9 Ų915.9 Ų15.99%0.0939%0.094CC..THydrogen-bonded Turntrans73.724.218000000114.5M499 D500 L584 K585M499-G502 WeakPolarHBondContact O-CA 3.49Å; M499-G502 PolarHBondContact O-N 3.35Å; D500-G502 PolarHBondContact O-N 3.3Å; G502-L584 CarbonylContact O-C 3.5Å; G502-L584 VanDerWaalsContact O-CA 3.31Å; G502-L584 WeakPolarHBondContact O-CA 3.42Å; G502-L584 WeakPolarHBondContact O-CB 3.39Å; G502-L584 WeakPolarHBondContact O-CD2 3.3Å; G502-K585 CarbonylContact C-O 3.56Å; G502-K585 PolarHBondContact O-N 3.14Å; G502-K585 VanDerWaalsContact O-O 3.09Å
503L93.8Very high90.7Very high0 Ų013.1 Ų13.10%08%0.081CC..  trans-79.1147.3173.5-70.8161.3000110.7L498 V505 I515 L573 V574 W577 L584L498-L503 HydrophobicContact CB-CD1 4.49Å; L498-L503 HydrophobicContact CD2-CD1 3.49Å; L498-L503 VanDerWaalsContact CD2-CD1 3.49Å; L498-L503 WeakPolarHBondContact O-CB 3.33Å; L498-L503 PolarHBondContact O-N 3.04Å; L498-L503 VanDerWaalsContact O-N 3.15Å; L503-V505 HydrophobicContact CB-CG2 4.48Å; L503-V505 PolarHBondContact O-N 3.35Å; L503-I515 HydrophobicContact CB-CG2 4.44Å; L503-I515 HydrophobicContact CD1-CD1 4.4Å; L503-L573 HydrophobicContact CD1-CD2 3.79Å; L503-L573 HydrophobicContact CD1-CG 4.05Å; L503-L573 HydrophobicContact CD2-CG 4.48Å; L503-V574 HydrophobicContact CD1-CG2 4.04Å; L503-V574 HydrophobicContact CG-CG2 4.36Å; L503-W577 HydrophobicContact CD2-CB 4.19Å; L503-W577 HydrophobicContact CD2-CD2 3.57Å; L503-W577 HydrophobicContact CD2-CE3 3.85Å; L503-W577 HydrophobicContact CD2-CG 3.73Å; L503-W577 HydrophobicContact CD2-CZ3 4.49Å; L503-L584 HydrophobicContact CD2-CD2 3.7Å; L503-L584 HydrophobicContact CG-CD2 4.05Å
504P92.1Very high90.8Very high33 Ų3313.1 Ų13.121%0.2148%0.081CC..  trans-78.765.317933.9-36.6000111.5I515 R516 W577P504-I515 HydrophobicContact CG-CG2 4Å; P504-I515 WeakPolarHBondContact O-CA 3.49Å; P504-R516 VanDerWaalsContact CG-O 3.22Å; P504-R516 WeakPolarHBondContact CG-O 3.27Å; P504-R516 PolarHBondContact O-N 3.33Å; P504-W577 HydrophobicContact CG-CH2 3.83Å; P504-W577 HydrophobicContact CG-CZ2 3.42Å; P504-W577 VanDerWaalsContact CG-CZ2 3.42Å
505V91.1Very high90.8Very high4 Ų413.1 Ų13.12%0.0248%0.081CC..BIsolated β-bridgetrans-61.6134170.5-175.80000109.3R495 L498 M499 L503 I513 P514 I515 H587R495-V505 HydrophobicContact CG-CG1 4.37Å; L498-V505 HydrophobicContact CB-CG2 3.59Å; M499-V505 HydrophobicContact CG-CB 4.06Å; M499-V505 HydrophobicContact CG-CG2 3.99Å; L503-V505 HydrophobicContact CB-CG2 4.48Å; L503-V505 PolarHBondContact O-N 3.35Å; V505-I513 HydrophobicContact CG1-CG2 3.77Å; V505-P514 CarbonylContact C-O 3.38Å; V505-P514 WeakPolarHBondContact CA-O 3.37Å; V505-I515 HydrophobicContact CG2-CG1 4.27Å; V505-H587 PolarHBondContact O-CE1 3.38Å; V505-H587 PolarHBondContact O-NE2 2.97Å
506V85.3Confident90.8Very high22 Ų2217.6 Ų17.613%0.13310%0.098CC..  trans-78.7120.7168.7176.90000107.5C508 P514 R516 F594V506-C508 PolarHBondContact O-N 3.19Å; V506-P514 HydrophobicContact CB-CB 4Å; V506-P514 HydrophobicContact CB-CG 3.94Å; V506-P514 HydrophobicContact CG1-CG 4.46Å; V506-P514 HydrophobicContact CG2-CB 4.06Å; V506-P514 PolarHBondContact N-O 3.21Å; V506-R516 HydrophobicContact CG2-CB 4.3Å; V506-F594 HydrophobicContact CG1-CE2 3.92Å; V506-F594 HydrophobicContact CG1-CZ 4.5Å
507H76.8Confident91.2Very high3 Ų317 Ų171%0.01410%0.096CC..  trans-81.7107.2-174.7-151.399.5000112.1M499 C592 N593 L599 F601M499-H507 WeakPolarHBondContact CE-ND1 3.19Å; M499-H507 VanDerWaalsContact SD-CE1 3.56Å; M499-H507 PolarHBondContact SD-ND1 2.79Å; M499-H507 VanDerWaalsContact SD-ND1 3.42Å; H507-C592 PolarHBondContact O-SG 3.18Å; H507-N593 WeakPolarHBondContact CB-OD1 3.43Å; H507-N593 PolarHBondContact N-ND2 3.13Å; H507-N593 PolarHBondContact O-N 3.32Å; H507-L599 WeakPolarHBondContact CD2-CD2 3.38Å; H507-L599 WeakPolarHBondContact CE1-CD1 3.45Å; H507-L599 WeakPolarHBondContact NE2-CD2 3.43Å; H507-F601 AromaticContact CE1-CZ 3.89Å; H507-F601 AromaticContact NE2-CZ 3.87Å
508C78.1Confident91.1Very high0 Ų018.5 Ų18.50%011%0.11CC..  trans-139.5147.8-173.664.30000112.1D371 G372 R495 V506 S510 I512D371-C508 WeakPolarHBondContact O-CB 3.38Å; D371-C508 PolarHBondContact O-SG 2.82Å; G372-C508 VanDerWaalsContact C-CB 3.49Å; G372-C508 WeakPolarHBondContact O-CB 3.32Å; R495-C508 PolarHBondContact NH1-O 3.21Å; R495-C508 PolarHBondContact NH2-O 3.33Å; V506-C508 PolarHBondContact O-N 3.19Å; C508-S510 PolarHBondContact O-N 3.08Å; C508-I512 PolarHBondContact SG-O 3.16Å
509P83.9Confident91.1Very high62 Ų6221.9 Ų21.940%0.40313%0.128SC..SBendtrans-81.9-8.9-169.731.3-34.3000115V374V374-P509 HydrophobicContact CB-CG 3.91Å; V374-P509 HydrophobicContact CG2-CG 3.85Å
510S94.3Very high91.2Very high0 Ų022.2 Ų22.20%013%0.132CC..SBendtrans-80.4-175.1-178.676.80000114.2G372 Y402 R495 C508 I512G372-S510 VanDerWaalsContact C-OG 3.32Å; G372-S510 WeakPolarHBondContact CA-OG 3.41Å; G372-S510 WeakPolarHBondContact O-CB 3.25Å; G372-S510 PolarHBondContact O-N 3.42Å; G372-S510 PolarHBondContact O-OG 3.12Å; Y402-S510 WeakPolarHBondContact OH-CA 3.4Å; R495-S510 PolarHBondContact NH2-O 3.17Å; C508-S510 PolarHBondContact O-N 3.08Å; S510-I512 VanDerWaalsContact C-N 3.26Å; S510-I512 PolarHBondContact O-N 3.25Å; S510-I512 PolarHBondContact OG-N 3.17Å
511H96.8Very high91.5Very high0 Ų024.6 Ų24.60%014%0.141CC..SBendtrans-76.9-7.7174.165.6-76.9000114.3Y236 H397 L401 Y402 H487 V491Y236-H511 AromaticContact CD1-CD2 3.71Å; Y236-H511 AromaticContact CD1-NE2 3.81Å; Y236-H511 AromaticContact CE1-CD2 3.67Å; Y236-H511 AromaticContact CE1-NE2 3.4Å; Y236-H511 WeakPolarHBondContact CE1-NE2 3.3Å; Y236-H511 AromaticContact CE2-NE2 3.64Å; Y236-H511 AromaticContact CZ-NE2 3.29Å; Y236-H511 VanDerWaalsContact CZ-NE2 3.29Å; H397-H511 PolarHBondContact O-CE1 3.4Å; L401-H511 VanDerWaalsContact CD1-CE1 3.43Å; L401-H511 WeakPolarHBondContact CD1-CE1 3.11Å; Y402-H511 AromaticContact CE2-ND1 3.75Å; Y402-H511 AromaticContact CZ-ND1 3.83Å; Y402-H511 PolarHBondContact OH-N 3.13Å; Y402-H511 PolarHBondContact OH-ND1 3.46Å; H487-H511 WeakPolarHBondContact CE1-CB 3.27Å; H487-H511 AromaticContact CE1-CD2 3.75Å; H487-H511 AromaticContact CE1-CG 3.55Å; V491-H511 HydrophobicContact CG2-CB 3.76Å
512I97.3Very high91.7Very high0 Ų026.1 Ų26.10%014%0.142CC..  trans-84.5139.7178.6-56.3166.9000107.6V367 H368 R495 C508 S510 P514 R554V367-I512 HydrophobicContact CG1-CD1 4.08Å; H368-I512 WeakPolarHBondContact O-CD1 3.15Å; R495-I512 PolarHBondContact NH2-O 3.26Å; R495-I512 VanDerWaalsContact NH2-O 3.07Å; C508-I512 PolarHBondContact SG-O 3.16Å; S510-I512 VanDerWaalsContact C-N 3.26Å; S510-I512 PolarHBondContact O-N 3.25Å; S510-I512 PolarHBondContact OG-N 3.17Å; I512-P514 HydrophobicContact CG2-CG 4.37Å; I512-R554 VanDerWaalsContact CD1-NH2 3.28Å; I512-R554 HydrophobicContact CG2-CG 3.86Å
513I96.4Very high91.9Very high0 Ų025.7 Ų25.70%014%0.138CC..EExtended strand (participates in β ladder)trans-124.694.9176.2-52.9173000108V491 L494 R495 L498 V505 I555 P557V491-I513 HydrophobicContact CG1-CD1 4.27Å; V491-I513 HydrophobicContact CG1-CG1 4.32Å; L494-I513 HydrophobicContact CB-CD1 4.13Å; L494-I513 HydrophobicContact CD2-CD1 4.18Å; L494-I513 HydrophobicContact CG-CD1 4.12Å; R495-I513 HydrophobicContact CB-CD1 4.06Å; L498-I513 HydrophobicContact CD1-CG2 3.8Å; V505-I513 HydrophobicContact CG1-CG2 3.77Å; I513-I555 HydrophobicContact CB-CB 4.26Å; I513-I555 PolarHBondContact N-O 2.73Å; I513-I555 WeakPolarHBondContact O-CB 3.39Å; I513-I555 PolarHBondContact O-N 3.05Å; I513-P557 HydrophobicContact CD1-CG 4.01Å
514P95.3Very high92Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-80.9140.4174.5-0.418.5000110.2M370 D371 V505 V506 I512 L552 L553M370-P514 WeakPolarHBondContact O-CG 3.09Å; D371-P514 WeakPolarHBondContact O-CG 3.17Å; V505-P514 CarbonylContact C-O 3.38Å; V505-P514 WeakPolarHBondContact CA-O 3.37Å; V506-P514 HydrophobicContact CB-CB 4Å; V506-P514 HydrophobicContact CB-CG 3.94Å; V506-P514 HydrophobicContact CG1-CG 4.46Å; V506-P514 HydrophobicContact CG2-CB 4.06Å; V506-P514 PolarHBondContact N-O 3.21Å; I512-P514 HydrophobicContact CG2-CG 4.37Å; P514-L552 HydrophobicContact CB-CD1 4.27Å; P514-L552 HydrophobicContact CB-CD2 4.08Å; P514-L553 CarbonylContact C-O 3.59Å; P514-L553 WeakPolarHBondContact CA-O 3.41Å
515I95.5Very high92.2Very high0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-121.5117.7169.9-57.4-179.9000108.2L498 L503 P504 V505 V517 L552 L553 I555 L573 W577L498-I515 HydrophobicContact CD1-CD1 4.12Å; L498-I515 HydrophobicContact CD2-CD1 3.9Å; L503-I515 HydrophobicContact CB-CG2 4.44Å; L503-I515 HydrophobicContact CD1-CD1 4.4Å; P504-I515 HydrophobicContact CG-CG2 4Å; P504-I515 WeakPolarHBondContact O-CA 3.49Å; V505-I515 HydrophobicContact CG2-CG1 4.27Å; I515-V517 PolarHBondContact O-N 2.75Å; I515-L552 CarbonylContact O-C 3.57Å; I515-L552 WeakPolarHBondContact O-CA 3.45Å; I515-L552 VanDerWaalsContact O-CB 3.3Å; I515-L552 WeakPolarHBondContact O-CB 3.35Å; I515-L553 HydrophobicContact CB-CB 4.43Å; I515-L553 PolarHBondContact N-O 3.37Å; I515-L553 PolarHBondContact O-N 3.22Å; I515-I555 HydrophobicContact CD1-CD1 3.43Å; I515-I555 VanDerWaalsContact CD1-CD1 3.43Å; I515-I555 HydrophobicContact CG1-CD1 4.01Å; I515-L573 HydrophobicContact CD1-CD2 3.62Å; I515-W577 HydrophobicContact CG2-CH2 3.72Å; I515-W577 HydrophobicContact CG2-CZ3 3.83Å
516R94Very high92.6Very high101 Ų10129.5 Ų29.538%0.38116%0.156SC..EExtended strand (participates in β ladder)trans-77121.6-172.9-175.4174.5178.6145.67111.2P504 V506 A518 G549 E550P504-R516 VanDerWaalsContact CG-O 3.22Å; P504-R516 WeakPolarHBondContact CG-O 3.27Å; P504-R516 PolarHBondContact O-N 3.33Å; V506-R516 HydrophobicContact CG2-CB 4.3Å; R516-A518 HydrophobicContact CG-CB 4.22Å; R516-G549 PolarHBondContact NE-O 2.98Å; R516-G549 PolarHBondContact NH2-O 3.33Å; R516-E550 IonicContact CZ-OE1 2.69Å; R516-E550 IonicContact CZ-OE2 3.13Å; R516-E550 IonicContact NE-OE2 3.38Å; R516-E550 IonicContact NH1-OE1 3.83Å; R516-E550 PolarHBondContact NH1-OE1 2.97Å; R516-E550 IonicContact NH1-OE2 2.92Å; R516-E550 PolarHBondContact NH1-OE2 2.77Å; R516-E550 IonicContact NH2-OE1 2.82Å; R516-E550 PolarHBondContact NH2-OE1 3.28Å; R516-E550 IonicContact NH2-OE2 2.77Å; R516-E550 PolarHBondContact NH2-OE2 3.12Å
517V94.7Very high93.1Very high13 Ų1328.5 Ų28.58%0.07915%0.15CC..  trans-101.2-31.7174-1730000111.5I515 N519 K522 N523 E551 L553 W577 L582I515-V517 PolarHBondContact O-N 2.75Å; V517-N519 PolarHBondContact O-N 2.93Å; V517-N519 VanDerWaalsContact O-N 3.1Å; V517-K522 HydrophobicContact CG1-CB 3.97Å; V517-N523 HydrophobicContact CB-CB 3.99Å; V517-N523 HydrophobicContact CG1-CB 3.94Å; V517-N523 HydrophobicContact CG2-CB 4.17Å; V517-N523 WeakPolarHBondContact CG2-OD1 3.45Å; V517-E551 CarbonylContact C-O 3.44Å; V517-E551 WeakPolarHBondContact CA-O 3.36Å; V517-E551 PolarHBondContact N-O 2.92Å; V517-L553 HydrophobicContact CG2-CG 4.24Å; V517-W577 HydrophobicContact CB-CH2 4.43Å; V517-W577 HydrophobicContact CG2-CH2 3.74Å; V517-W577 HydrophobicContact CG2-CZ3 3.85Å; V517-L582 HydrophobicContact CG1-CD1 4.01Å; V517-L582 HydrophobicContact CG1-CD2 4.46Å
518A92.6Very high94.1Very high45 Ų4530 Ų3037%0.37216%0.158SC..  trans56.919.3178.400000115.7R516 G549 E551R516-A518 HydrophobicContact CG-CB 4.22Å; A518-G549 WeakPolarHBondContact CA-O 3.33Å; A518-G549 WeakPolarHBondContact CB-O 3.38Å; A518-E551 PolarHBondContact N-O 3.4Å
519N94Very high95Very high71 Ų7131.3 Ų31.338%0.3817%0.165SC..  trans-153.2122.5175.1178.9-69.7000110V517 E521 K522 N523 E551V517-N519 PolarHBondContact O-N 2.93Å; V517-N519 VanDerWaalsContact O-N 3.1Å; N519-E521 PolarHBondContact O-N 2.9Å; N519-E521 WeakPolarHBondContact OD1-CB 3.38Å; N519-E521 PolarHBondContact OD1-N 3.49Å; N519-K522 HydrophobicContact CB-CB 4.17Å; N519-K522 HydrophobicContact CB-CG 4.38Å; N519-K522 PolarHBondContact OD1-N 3.37Å; N519-N523 VanDerWaalsContact O-CB 3.26Å; N519-N523 WeakPolarHBondContact O-CB 3.31Å; N519-N523 PolarHBondContact O-N 2.69Å; N519-E551 PolarHBondContact N-OE2 2.88Å
520A91.3Very high95.7Very high14 Ų1428.3 Ų28.312%0.11615%0.146CC..Hα-helixtrans-65.4-35.9-174.300000114.5H197 T524 N542 E551H197-A520 HydrophobicContact CB-CB 4.32Å; A520-T524 WeakPolarHBondContact O-CB 3.49Å; A520-T524 PolarHBondContact O-N 2.96Å; A520-T524 VanDerWaalsContact O-N 3.16Å; A520-T524 PolarHBondContact O-OG1 3.19Å; A520-N542 HydrophobicContact CB-CB 4.34Å; A520-N542 PolarHBondContact O-ND2 3.24Å; A520-E551 HydrophobicContact CB-CG 4.02Å
521E94.1Very high95.8Very high109 Ų10928.4 Ų28.451%0.50915%0.146SC..Hα-helixtrans-68.9-52178.3-177.8175.4-138.500110.2H197 N519 N523 T524 E525H197-E521 IonicContact CE1-OE1 3.51Å; N519-E521 PolarHBondContact O-N 2.9Å; N519-E521 WeakPolarHBondContact OD1-CB 3.38Å; N519-E521 PolarHBondContact OD1-N 3.49Å; E521-N523 VanDerWaalsContact C-N 3.33Å; E521-N523 PolarHBondContact O-N 2.87Å; E521-T524 WeakPolarHBondContact O-CB 3.46Å; E521-T524 PolarHBondContact O-N 2.95Å; E521-T524 VanDerWaalsContact O-N 3.12Å; E521-E525 PolarHBondContact O-N 3.17Å
522K95.8Very high95.7Very high63 Ų6330.9 Ų30.927%0.27416%0.159SC..Hα-helixtrans-61.7-36.9176.6-68.4-52.5-162.81790113.2V517 N519 T524 E525 V526 S580 L582V517-K522 HydrophobicContact CG1-CB 3.97Å; N519-K522 HydrophobicContact CB-CB 4.17Å; N519-K522 HydrophobicContact CB-CG 4.38Å; N519-K522 PolarHBondContact OD1-N 3.37Å; K522-T524 VanDerWaalsContact C-N 3.31Å; K522-T524 PolarHBondContact O-N 3.47Å; K522-E525 WeakPolarHBondContact CD-OE2 3.03Å; K522-E525 WeakPolarHBondContact CE-OE2 3.31Å; K522-E525 IonicContact NZ-OE1 3.77Å; K522-E525 IonicContact NZ-OE2 2.67Å; K522-E525 PolarHBondContact NZ-OE2 3.31Å; K522-E525 PolarHBondContact O-N 3.42Å; K522-V526 WeakPolarHBondContact O-CG2 3.33Å; K522-V526 PolarHBondContact O-N 3.28Å; K522-S580 WeakPolarHBondContact CE-O 3.35Å; K522-S580 PolarHBondContact NZ-O 3.09Å; K522-L582 HydrophobicContact CB-CD2 4.13Å; K522-L582 HydrophobicContact CG-CD2 4.21Å
523N96.9Very high95.6Very high0 Ų036.7 Ų36.70%018%0.181CC..Hα-helixtrans-62.2-42.6175.1-163.917.6000110.9V517 N519 E521 C527 A540 I541 N542 E551 L552 L553V517-N523 HydrophobicContact CB-CB 3.99Å; V517-N523 HydrophobicContact CG1-CB 3.94Å; V517-N523 HydrophobicContact CG2-CB 4.17Å; V517-N523 WeakPolarHBondContact CG2-OD1 3.45Å; N519-N523 VanDerWaalsContact O-CB 3.26Å; N519-N523 WeakPolarHBondContact O-CB 3.31Å; N519-N523 PolarHBondContact O-N 2.69Å; E521-N523 VanDerWaalsContact C-N 3.33Å; E521-N523 PolarHBondContact O-N 2.87Å; N523-C527 WeakPolarHBondContact O-CB 3.09Å; N523-C527 PolarHBondContact O-N 2.97Å; N523-C527 VanDerWaalsContact O-N 3.08Å; N523-A540 HydrophobicContact CB-CB 4.14Å; N523-A540 WeakPolarHBondContact O-CB 3.36Å; N523-I541 PolarHBondContact ND2-N 3.28Å; N523-I541 PolarHBondContact ND2-O 3.29Å; N523-I541 VanDerWaalsContact ND2-O 3.16Å; N523-N542 PolarHBondContact ND2-OD1 3.45Å; N523-E551 HydrophobicContact CB-CB 4.38Å; N523-L552 PolarHBondContact ND2-N 3.18Å; N523-L552 PolarHBondContact ND2-O 3.45Å; N523-L552 PolarHBondContact OD1-O 2.98Å; N523-L553 VanDerWaalsContact OD1-CD2 3.28Å; N523-L553 WeakPolarHBondContact OD1-CD2 3.42Å
524T95.8Very high95.7Very high49 Ų4937.3 Ų37.330%0.30118%0.184SC..Hα-helixtrans-67.5-42.1176.6-50.30000111.7A520 E521 K522 C527 D528 N542A520-T524 WeakPolarHBondContact O-CB 3.49Å; A520-T524 PolarHBondContact O-N 2.96Å; A520-T524 VanDerWaalsContact O-N 3.16Å; A520-T524 PolarHBondContact O-OG1 3.19Å; E521-T524 WeakPolarHBondContact O-CB 3.46Å; E521-T524 PolarHBondContact O-N 2.95Å; E521-T524 VanDerWaalsContact O-N 3.12Å; K522-T524 VanDerWaalsContact C-N 3.31Å; K522-T524 PolarHBondContact O-N 3.47Å; T524-C527 WeakPolarHBondContact O-CB 3.41Å; T524-C527 PolarHBondContact O-N 3.23Å; T524-D528 WeakPolarHBondContact O-CB 3.41Å; T524-D528 PolarHBondContact O-N 3.31Å; T524-N542 PolarHBondContact OG1-ND2 3.49Å
525E96.7Very high95.8Very high68 Ų6840.9 Ų40.932%0.31820%0.203SC..Hα-helixtrans-57.6-49.3175.2-178.1179.7-150.600111.9E521 K522 D528 I529E521-E525 PolarHBondContact O-N 3.17Å; K522-E525 WeakPolarHBondContact CD-OE2 3.03Å; K522-E525 WeakPolarHBondContact CE-OE2 3.31Å; K522-E525 IonicContact NZ-OE1 3.77Å; K522-E525 IonicContact NZ-OE2 2.67Å; K522-E525 PolarHBondContact NZ-OE2 3.31Å; K522-E525 PolarHBondContact O-N 3.42Å; E525-D528 PolarHBondContact O-N 3.25Å; E525-I529 HydrophobicContact CG-CD1 3.85Å; E525-I529 WeakPolarHBondContact O-CG1 3.38Å; E525-I529 PolarHBondContact O-N 2.97Å
526V98Very high95.9Very high0 Ų040.9 Ų40.90%020%0.203CC..Hα-helixtrans-61.7-47.1177.8173.90000111.1K522 D528 I529 M530 L553 L573 T576 S580 L582K522-V526 WeakPolarHBondContact O-CG2 3.33Å; K522-V526 PolarHBondContact O-N 3.28Å; V526-D528 VanDerWaalsContact C-N 3.3Å; V526-D528 PolarHBondContact O-N 3.19Å; V526-I529 PolarHBondContact O-N 3.3Å; V526-M530 HydrophobicContact CG1-CG 4.25Å; V526-M530 WeakPolarHBondContact O-CB 3.39Å; V526-M530 WeakPolarHBondContact O-CG 3.34Å; V526-M530 PolarHBondContact O-N 3.23Å; V526-L553 HydrophobicContact CG1-CD1 3.8Å; V526-L573 HydrophobicContact CG1-CD1 3.83Å; V526-T576 HydrophobicContact CB-CG2 4.18Å; V526-T576 HydrophobicContact CG1-CG2 3.86Å; V526-T576 HydrophobicContact CG2-CG2 4.25Å; V526-S580 WeakPolarHBondContact CG2-OG 3.17Å; V526-L582 HydrophobicContact CG2-CD1 3.8Å
527C97.6Very high96.2Very high1 Ų137.6 Ų37.61%0.00719%0.191CC..Hα-helixtrans-55.2-44.4174.3169.60000111.9N523 T524 M531 V538 A540N523-C527 WeakPolarHBondContact O-CB 3.09Å; N523-C527 PolarHBondContact O-N 2.97Å; N523-C527 VanDerWaalsContact O-N 3.08Å; T524-C527 WeakPolarHBondContact O-CB 3.41Å; T524-C527 PolarHBondContact O-N 3.23Å; C527-M531 VanDerWaalsContact O-CB 3.27Å; C527-M531 WeakPolarHBondContact O-CB 3.39Å; C527-M531 PolarHBondContact O-N 3.32Å; C527-V538 PolarHBondContact SG-O 2.91Å; C527-A540 HydrophobicContact CB-CB 3.78Å
528D96.4Very high96.3Very high33 Ų3337 Ų3718%0.17619%0.187CC..Hα-helixtrans-71.9-36.2-178-77.8-8.3000112.9L153 K203 T524 E525 V526 N532L153-D528 WeakPolarHBondContact CD2-OD2 3.47Å; K203-D528 WeakPolarHBondContact CE-OD1 3.35Å; K203-D528 IonicContact NZ-OD1 3.73Å; K203-D528 PolarHBondContact NZ-OD1 3.36Å; T524-D528 WeakPolarHBondContact O-CB 3.41Å; T524-D528 PolarHBondContact O-N 3.31Å; E525-D528 PolarHBondContact O-N 3.25Å; V526-D528 VanDerWaalsContact C-N 3.3Å; V526-D528 PolarHBondContact O-N 3.19Å; D528-N532 WeakPolarHBondContact O-CB 3.37Å; D528-N532 PolarHBondContact O-N 3.48Å; D528-N532 PolarHBondContact O-ND2 2.9Å
529I97.6Very high96.6Very high28 Ų2837.4 Ų37.414%0.14418%0.181CC..Hα-helixtrans-68.6-48.6174.9-68.7166.1000110.4E525 V526 M531 N532 R533 T576E525-I529 HydrophobicContact CG-CD1 3.85Å; E525-I529 WeakPolarHBondContact O-CG1 3.38Å; E525-I529 PolarHBondContact O-N 2.97Å; V526-I529 PolarHBondContact O-N 3.3Å; I529-M531 VanDerWaalsContact C-N 3.29Å; I529-M531 PolarHBondContact O-N 3.08Å; I529-N532 PolarHBondContact O-N 2.98Å; I529-R533 HydrophobicContact CG2-CB 4.49Å; I529-R533 WeakPolarHBondContact O-CB 3.49Å; I529-R533 PolarHBondContact O-N 3.32Å; I529-T576 HydrophobicContact CB-CG2 3.59Å; I529-T576 HydrophobicContact CD1-CG2 4.09Å; I529-T576 HydrophobicContact CG1-CG2 4.45Å; I529-T576 HydrophobicContact CG2-CG2 3.49Å; I529-T576 VanDerWaalsContact CG2-CG2 3.49Å
530M98.4Very high96.8Very high0 Ų034.4 Ų34.40%017%0.166CC..Hα-helixtrans-56-44.8177.5-69.5-65.4-77.700111.3V526 H534 N535 I536 V538 F569 K572 L573 T576V526-M530 HydrophobicContact CG1-CG 4.25Å; V526-M530 WeakPolarHBondContact O-CB 3.39Å; V526-M530 WeakPolarHBondContact O-CG 3.34Å; V526-M530 PolarHBondContact O-N 3.23Å; M530-H534 CarbonylContact O-C 3.54Å; M530-H534 WeakPolarHBondContact O-CA 3.27Å; M530-H534 WeakPolarHBondContact O-CB 3.46Å; M530-H534 PolarHBondContact O-N 3.42Å; M530-N535 PolarHBondContact O-N 2.94Å; M530-I536 CarbonylContact C-O 3.58Å; M530-I536 HydrophobicContact CB-CB 4.33Å; M530-I536 HydrophobicContact CB-CG2 4.42Å; M530-I536 HydrophobicContact CE-CB 4.02Å; M530-I536 HydrophobicContact CE-CD1 3.59Å; M530-I536 HydrophobicContact CE-CG1 4.41Å; M530-I536 HydrophobicContact CE-CG2 3.67Å; M530-I536 PolarHBondContact O-N 2.74Å; M530-V538 HydrophobicContact CB-CG1 4.25Å; M530-V538 HydrophobicContact CG-CG1 4.35Å; M530-F569 HydrophobicContact CE-CD2 4.38Å; M530-F569 HydrophobicContact CE-CE2 4.27Å; M530-K572 HydrophobicContact CE-CB 4.27Å; M530-K572 VanDerWaalsContact SD-C 3.55Å; M530-K572 HydrophobicContact SD-CB 4.21Å; M530-K572 VanDerWaalsContact SD-O 3.41Å; M530-L573 HydrophobicContact CE-CB 3.79Å; M530-L573 HydrophobicContact CE-CD1 4.33Å; M530-L573 HydrophobicContact SD-CB 4.33Å; M530-L573 HydrophobicContact SD-CD1 4.39Å; M530-T576 HydrophobicContact CG-CG2 4.22Å; M530-T576 HydrophobicContact SD-CG2 4.44Å; M530-T576 PolarHBondContact SD-OG1 3.12Å; M530-T576 VanDerWaalsContact SD-OG1 3.32Å
531M95.9Very high96.9Very high1 Ų135 Ų351%0.00517%0.167CC..Hα-helixtrans-64.9-52.5177.2-169.176.3-177.100112V205 D217 V228 C527 I529 N535 I536 Y537V205-M531 HydrophobicContact CG1-CE 3.92Å; D217-M531 HydrophobicContact CB-CE 3.58Å; D217-M531 VanDerWaalsContact OD1-CE 3.29Å; D217-M531 WeakPolarHBondContact OD1-CE 3.11Å; V228-M531 HydrophobicContact CB-CE 4.48Å; V228-M531 HydrophobicContact CG1-CE 4.05Å; V228-M531 HydrophobicContact CG1-SD 4.45Å; V228-M531 HydrophobicContact CG2-CE 3.96Å; C527-M531 VanDerWaalsContact O-CB 3.27Å; C527-M531 WeakPolarHBondContact O-CB 3.39Å; C527-M531 PolarHBondContact O-N 3.32Å; I529-M531 VanDerWaalsContact C-N 3.29Å; I529-M531 PolarHBondContact O-N 3.08Å; M531-N535 PolarHBondContact O-N 3.35Å; M531-I536 VanDerWaalsContact CA-O 3.31Å; M531-I536 WeakPolarHBondContact CA-O 3.39Å; M531-I536 PolarHBondContact N-O 3.46Å; M531-I536 VanDerWaalsContact N-O 3.13Å; M531-Y537 HydrophobicContact CE-CG 4.43Å; M531-Y537 VanDerWaalsContact SD-CB 3.52Å; M531-Y537 HydrophobicContact SD-CD2 3.77Å; M531-Y537 HydrophobicContact SD-CG 3.83Å
532N94.8Very high96.8Very high52 Ų5230.4 Ų30.428%0.27815%0.146SC..Hα-helixtrans-85.9-26.6-165.9-70.3-59000115.2R226 D528 I529R226-N532 PolarHBondContact NH1-O 2.91Å; R226-N532 PolarHBondContact NH1-OD1 3.14Å; R226-N532 PolarHBondContact NH2-OD1 3.39Å; D528-N532 WeakPolarHBondContact O-CB 3.37Å; D528-N532 PolarHBondContact O-N 3.48Å; D528-N532 PolarHBondContact O-ND2 2.9Å; I529-N532 PolarHBondContact O-N 2.98Å
533R96Very high96.2Very high123 Ų12332 Ų3246%0.46415%0.151SC..Hα-helixtrans-111.1-18.8-176.1-71.2173.559.7-152.4-2.3113.5I529 E579I529-R533 HydrophobicContact CG2-CB 4.49Å; I529-R533 WeakPolarHBondContact O-CB 3.49Å; I529-R533 PolarHBondContact O-N 3.32Å; R533-E579 IonicContact CZ-OE2 2.7Å; R533-E579 VanDerWaalsContact CZ-OE2 3.26Å; R533-E579 IonicContact NH1-OE2 3.53Å; R533-E579 PolarHBondContact NH1-OE2 2.88Å; R533-E579 IonicContact NH2-OE1 3.98Å; R533-E579 IonicContact NH2-OE2 3.42Å; R533-E579 PolarHBondContact NH2-OE2 3.28Å
534H97.9Very high95.6Very high13 Ų1336 Ų366%0.0618%0.177CC..Hα-helixtrans-125.80.7-174.1-55.9-40.2000113.9M530 I536 Y568 K572 T576M530-H534 CarbonylContact O-C 3.54Å; M530-H534 WeakPolarHBondContact O-CA 3.27Å; M530-H534 WeakPolarHBondContact O-CB 3.46Å; M530-H534 PolarHBondContact O-N 3.42Å; H534-I536 HydrophobicContact CB-CD1 4.08Å; H534-I536 PolarHBondContact O-N 1.75Å; H534-Y568 PolarHBondContact O-OH 3.43Å; H534-K572 HydrophobicContact CB-CB 4.05Å; H534-K572 HydrophobicContact CB-CG 4.09Å; H534-T576 PolarHBondContact CD2-OG1 3.49Å; H534-T576 PolarHBondContact NE2-OG1 2.93Å
535N97.9Very high94.8Very high74 Ų7436.3 Ų36.340%0.39618%0.179SC..  trans54.437.6-179.7-61.4-14.2000112.9E227 V228 S229 M530 M531E227-N535 WeakPolarHBondContact O-CB 3.44Å; V228-N535 CarbonylContact C-O 3.41Å; V228-N535 VanDerWaalsContact CA-O 3.29Å; V228-N535 WeakPolarHBondContact CA-O 3.48Å; V228-N535 HydrophobicContact CG1-CB 4.14Å; S229-N535 PolarHBondContact N-O 3.03Å; S229-N535 PolarHBondContact OG-O 2.66Å; M530-N535 PolarHBondContact O-N 2.94Å; M531-N535 PolarHBondContact O-N 3.35Å
536I98.6Very high94.1Very high0 Ų034 Ų340%017%0.169CC..EExtended strand (participates in β ladder)trans-118.6114.2178.9-69.7161.9000108.9W231 M530 M531 H534 V538 Y568 F569 K572W231-I536 HydrophobicContact CG-CG2 4.41Å; M530-I536 CarbonylContact C-O 3.58Å; M530-I536 HydrophobicContact CB-CB 4.33Å; M530-I536 HydrophobicContact CB-CG2 4.42Å; M530-I536 HydrophobicContact CE-CB 4.02Å; M530-I536 HydrophobicContact CE-CD1 3.59Å; M530-I536 HydrophobicContact CE-CG1 4.41Å; M530-I536 HydrophobicContact CE-CG2 3.67Å; M530-I536 PolarHBondContact O-N 2.74Å; M531-I536 VanDerWaalsContact CA-O 3.31Å; M531-I536 WeakPolarHBondContact CA-O 3.39Å; M531-I536 PolarHBondContact N-O 3.46Å; M531-I536 VanDerWaalsContact N-O 3.13Å; H534-I536 HydrophobicContact CB-CD1 4.08Å; H534-I536 PolarHBondContact O-N 1.75Å; I536-V538 HydrophobicContact CG2-CG1 4.29Å; I536-V538 PolarHBondContact O-N 2.82Å; I536-Y568 HydrophobicContact CD1-CD1 3.9Å; I536-Y568 HydrophobicContact CD1-CE1 3.73Å; I536-Y568 HydrophobicContact CG1-CD1 4.47Å; I536-Y568 HydrophobicContact CG1-CE1 4.18Å; I536-F569 HydrophobicContact CD1-CD2 4.37Å; I536-F569 HydrophobicContact CG2-CD2 3.53Å; I536-F569 HydrophobicContact CG2-CE2 3.58Å; I536-K572 HydrophobicContact CD1-CB 3.89Å; I536-K572 HydrophobicContact CD1-CG 4.37Å
537Y98.6Very high93.4Very high32 Ų3236.8 Ų36.813%0.12519%0.193CC..EExtended strand (participates in β ladder)trans-90103.1171.9-176.1-151.3000110.9K203 V205 S229 V230 W231 M531 Q539K203-Y537 HydrophobicContact CB-CE2 4.05Å; K203-Y537 HydrophobicContact CG-CD2 4.32Å; K203-Y537 HydrophobicContact CG-CE2 3.66Å; V205-Y537 HydrophobicContact CG1-CD1 4.2Å; V205-Y537 HydrophobicContact CG1-CE1 4.35Å; V205-Y537 HydrophobicContact CG2-CD1 4.26Å; V205-Y537 HydrophobicContact CG2-CE1 3.84Å; S229-Y537 PolarHBondContact O-N 3.45Å; V230-Y537 HydrophobicContact CG1-CD1 3.89Å; V230-Y537 HydrophobicContact CG2-CD1 4.21Å; W231-Y537 PolarHBondContact N-O 3.27Å; M531-Y537 HydrophobicContact CE-CG 4.43Å; M531-Y537 VanDerWaalsContact SD-CB 3.52Å; M531-Y537 HydrophobicContact SD-CD2 3.77Å; M531-Y537 HydrophobicContact SD-CG 3.83Å; Y537-Q539 HydrophobicContact CE2-CB 4.07Å; Y537-Q539 PolarHBondContact OH-OE1 3.34Å
538V98.3Very high92.7Very high0 Ų043 Ų430%022%0.216CC..  trans-127.3118165.858.10000108.8W231 C527 M530 I536 L553 I555 F569W231-V538 HydrophobicContact CB-CB 4.41Å; C527-V538 PolarHBondContact SG-O 2.91Å; M530-V538 HydrophobicContact CB-CG1 4.25Å; M530-V538 HydrophobicContact CG-CG1 4.35Å; I536-V538 HydrophobicContact CG2-CG1 4.29Å; I536-V538 PolarHBondContact O-N 2.82Å; V538-L553 HydrophobicContact CG1-CD2 4.42Å; V538-L553 HydrophobicContact CG2-CB 4.18Å; V538-L553 HydrophobicContact CG2-CD2 4.31Å; V538-I555 HydrophobicContact CG2-CG1 3.97Å; V538-F569 HydrophobicContact CB-CE2 4.2Å; V538-F569 HydrophobicContact CB-CZ 4.49Å; V538-F569 HydrophobicContact CG1-CE2 4.22Å; V538-F569 HydrophobicContact CG1-CZ 4.46Å
539Q98Very high92.2Very high54 Ų5442.7 Ų42.725%0.25222%0.221SC..  trans-79.5131-172179.657.858.900112.4C232 Y537 I541C232-Q539 HydrophobicContact CB-CB 4.12Å; C232-Q539 PolarHBondContact SG-N 3.03Å; C232-Q539 VanDerWaalsContact SG-N 3.44Å; Y537-Q539 HydrophobicContact CE2-CB 4.07Å; Y537-Q539 PolarHBondContact OH-OE1 3.34Å; Q539-I541 HydrophobicContact CG-CD1 4.08Å; Q539-I541 PolarHBondContact O-N 2.74Å
540A97.3Very high91.7Very high8 Ų845 Ų457%0.06623%0.231CC..EExtended strand (participates in β ladder)trans-64.2119.8164.800000111.3N523 C527N523-A540 HydrophobicContact CB-CB 4.14Å; N523-A540 WeakPolarHBondContact O-CB 3.36Å; C527-A540 HydrophobicContact CB-CB 3.78Å
541I95.3Very high91.5Very high26 Ų2645.4 Ų45.413%0.13323%0.233CC..EExtended strand (participates in β ladder)trans-98.7110.2174.6-51.1-57.1000109.6M370 N523 Q539 T545 V546 E551 L552 R554M370-I541 HydrophobicContact SD-CG2 3.92Å; N523-I541 PolarHBondContact ND2-N 3.28Å; N523-I541 PolarHBondContact ND2-O 3.29Å; N523-I541 VanDerWaalsContact ND2-O 3.16Å; Q539-I541 HydrophobicContact CG-CD1 4.08Å; Q539-I541 PolarHBondContact O-N 2.74Å; I541-T545 HydrophobicContact CG2-CG2 3.54Å; I541-V546 HydrophobicContact CG2-CG1 3.88Å; I541-V546 HydrophobicContact CG2-CG2 4.15Å; I541-V546 WeakPolarHBondContact O-CG2 3.48Å; I541-E551 WeakPolarHBondContact O-CA 3.39Å; I541-L552 WeakPolarHBondContact CA-O 3.3Å; I541-L552 HydrophobicContact CB-CD1 3.87Å; I541-L552 HydrophobicContact CB-CG 4.32Å; I541-L552 WeakPolarHBondContact CB-O 3.28Å; I541-L552 HydrophobicContact CG1-CD1 3.95Å; I541-L552 HydrophobicContact CG2-CD1 4.47Å; I541-L552 PolarHBondContact N-O 3.13Å; I541-L552 PolarHBondContact O-N 2.88Å; I541-L552 VanDerWaalsContact O-N 3.13Å; I541-R554 HydrophobicContact CD1-CB 4.4Å; I541-R554 HydrophobicContact CG1-CB 3.69Å
542N90.3Very high91.5Very high14 Ų1445.9 Ų45.98%0.07524%0.235CC..  trans-120.3169.4179.1-60.6-16.2000110.8R200 A520 N523 T524 T545 E551R200-N542 PolarHBondContact NH2-O 2.98Å; A520-N542 HydrophobicContact CB-CB 4.34Å; A520-N542 PolarHBondContact O-ND2 3.24Å; N523-N542 PolarHBondContact ND2-OD1 3.45Å; T524-N542 PolarHBondContact OG1-ND2 3.49Å; N542-T545 PolarHBondContact O-N 3.24Å; N542-T545 VanDerWaalsContact O-N 3.15Å; N542-E551 HydrophobicContact CB-CG 4.27Å
543Y84Confident91.6Very high97 Ų9743.4 Ų43.438%0.3822%0.222SC..THydrogen-bonded Turntrans-46.2140.3172.7-179.2-90.8000112.8T198 V546 R548T198-Y543 HydrophobicContact CG2-CD1 4.08Å; T198-Y543 HydrophobicContact CG2-CG 4.48Å; Y543-V546 WeakPolarHBondContact CA-O 3.38Å; Y543-R548 HydrophobicContact CD2-CG 4.15Å; Y543-R548 HydrophobicContact CG-CG 4.28Å
544P83.7Confident91.7Very high82 Ų8238 Ų3853%0.53220%0.202SC..THydrogen-bonded Turncis-90.4154.338.2-38.8000115.4
545T80.3Confident91.7Very high56 Ų5637.3 Ų37.334%0.34420%0.199SC..SBendtrans-77-28.6180-63.60000112.4R200 M370 I541 N542R200-T545 PolarHBondContact NH1-OG1 3.39Å; R200-T545 PolarHBondContact NH2-OG1 2.88Å; M370-T545 HydrophobicContact CE-CG2 3.85Å; M370-T545 HydrophobicContact CG-CG2 4.08Å; M370-T545 HydrophobicContact SD-CG2 3.56Å; M370-T545 VanDerWaalsContact SD-CG2 3.56Å; I541-T545 HydrophobicContact CG2-CG2 3.54Å; N542-T545 PolarHBondContact O-N 3.24Å; N542-T545 VanDerWaalsContact O-N 3.15Å
546V82.3Confident91.7Very high19 Ų1933.8 Ų33.812%0.11518%0.18CC..SBendtrans-130.7165.2169.1-67.50000108.9M370 I541 Y543 E550 L552M370-V546 HydrophobicContact CB-CG1 3.99Å; M370-V546 HydrophobicContact CG-CG1 4.01Å; I541-V546 HydrophobicContact CG2-CG1 3.88Å; I541-V546 HydrophobicContact CG2-CG2 4.15Å; I541-V546 WeakPolarHBondContact O-CG2 3.48Å; Y543-V546 WeakPolarHBondContact CA-O 3.38Å; V546-E550 HydrophobicContact CB-CB 4.41Å; V546-E550 WeakPolarHBondContact CG2-O 3.37Å; V546-L552 HydrophobicContact CG1-CD2 4.1Å; V546-L552 HydrophobicContact CG1-CG 4.42Å
547A82.6Confident91.7Very high60 Ų6033.8 Ų33.850%0.49618%0.18SC..  trans-65.3161.4173.700000111.7E550A547-E550 HydrophobicContact CB-CB 4.26Å; A547-E550 HydrophobicContact CB-CG 4.01Å; A547-E550 WeakPolarHBondContact O-CB 3.31Å; A547-E550 PolarHBondContact O-N 3.26Å; A547-E550 VanDerWaalsContact O-N 3.16Å
548R82.5Confident91.7Very high131 Ų13132.3 Ų32.349%0.49417%0.174SC..THydrogen-bonded Turntrans-69.7135.7174.2-62.9-179.5178.7-77.63.7109.8D196 Y543 E550 E551D196-R548 IonicContact OD1-CZ 2.67Å; D196-R548 IonicContact OD1-NH1 3.54Å; D196-R548 PolarHBondContact OD1-NH1 2.84Å; D196-R548 IonicContact OD1-NH2 2.93Å; D196-R548 PolarHBondContact OD1-NH2 2.9Å; D196-R548 IonicContact OD2-CZ 3.54Å; D196-R548 IonicContact OD2-NH1 3.59Å; D196-R548 PolarHBondContact OD2-NH1 3.46Å; D196-R548 IonicContact OD2-NH2 3.26Å; D196-R548 PolarHBondContact OD2-NH2 3.38Å; Y543-R548 HydrophobicContact CD2-CG 4.15Å; Y543-R548 HydrophobicContact CG-CG 4.28Å; R548-E550 PolarHBondContact O-N 2.87Å; R548-E551 WeakPolarHBondContact CA-OE1 3.43Å
549G86Confident91.7Very high27 Ų2732.6 Ų32.628%0.27818%0.176SC..THydrogen-bonded Turntrans81.1-5.4-171.100000114R516 A518 E551R516-G549 PolarHBondContact NE-O 2.98Å; R516-G549 PolarHBondContact NH2-O 3.33Å; A518-G549 WeakPolarHBondContact CA-O 3.33Å; A518-G549 WeakPolarHBondContact CB-O 3.38Å; G549-E551 VanDerWaalsContact C-OE2 3.3Å; G549-E551 WeakPolarHBondContact CA-OE2 3.43Å; G549-E551 VanDerWaalsContact N-CD 3.3Å; G549-E551 PolarHBondContact N-OE1 3.49Å; G549-E551 VanDerWaalsContact N-OE1 3.07Å; G549-E551 PolarHBondContact N-OE2 3.18Å
550E87.9Confident91.7Very high75 Ų7532.5 Ų32.535%0.3518%0.175SC..  trans-106.518.5172.7-60.3-60.2150.800111.5R516 V546 A547 R548 L552R516-E550 IonicContact CZ-OE1 2.69Å; R516-E550 IonicContact CZ-OE2 3.13Å; R516-E550 IonicContact NE-OE2 3.38Å; R516-E550 IonicContact NH1-OE1 3.83Å; R516-E550 PolarHBondContact NH1-OE1 2.97Å; R516-E550 IonicContact NH1-OE2 2.92Å; R516-E550 PolarHBondContact NH1-OE2 2.77Å; R516-E550 IonicContact NH2-OE1 2.82Å; R516-E550 PolarHBondContact NH2-OE1 3.28Å; R516-E550 IonicContact NH2-OE2 2.77Å; R516-E550 PolarHBondContact NH2-OE2 3.12Å; V546-E550 HydrophobicContact CB-CB 4.41Å; V546-E550 WeakPolarHBondContact CG2-O 3.37Å; A547-E550 HydrophobicContact CB-CB 4.26Å; A547-E550 HydrophobicContact CB-CG 4.01Å; A547-E550 WeakPolarHBondContact O-CB 3.31Å; A547-E550 PolarHBondContact O-N 3.26Å; A547-E550 VanDerWaalsContact O-N 3.16Å; R548-E550 PolarHBondContact O-N 2.87Å; E550-L552 PolarHBondContact O-N 3.47Å
551E93.3Very high91.8Very high9 Ų932.2 Ų32.24%0.04217%0.172CC..  trans-60.6134.5177.6-61.282.6-174.900111V517 A518 N519 A520 N523 I541 N542 R548 G549V517-E551 CarbonylContact C-O 3.44Å; V517-E551 WeakPolarHBondContact CA-O 3.36Å; V517-E551 PolarHBondContact N-O 2.92Å; A518-E551 PolarHBondContact N-O 3.4Å; N519-E551 PolarHBondContact N-OE2 2.88Å; A520-E551 HydrophobicContact CB-CG 4.02Å; N523-E551 HydrophobicContact CB-CB 4.38Å; I541-E551 WeakPolarHBondContact O-CA 3.39Å; N542-E551 HydrophobicContact CB-CG 4.27Å; R548-E551 WeakPolarHBondContact CA-OE1 3.43Å; G549-E551 VanDerWaalsContact C-OE2 3.3Å; G549-E551 WeakPolarHBondContact CA-OE2 3.43Å; G549-E551 VanDerWaalsContact N-CD 3.3Å; G549-E551 PolarHBondContact N-OE1 3.49Å; G549-E551 VanDerWaalsContact N-OE1 3.07Å; G549-E551 PolarHBondContact N-OE2 3.18Å
552L95.7Very high91.9Very high11 Ų1133.6 Ų33.66%0.05818%0.182CC..EExtended strand (participates in β ladder)trans-145.6156.9-170.659.884.4000112.7P514 I515 N523 I541 V546 E550 R554P514-L552 HydrophobicContact CB-CD1 4.27Å; P514-L552 HydrophobicContact CB-CD2 4.08Å; I515-L552 CarbonylContact O-C 3.57Å; I515-L552 WeakPolarHBondContact O-CA 3.45Å; I515-L552 VanDerWaalsContact O-CB 3.3Å; I515-L552 WeakPolarHBondContact O-CB 3.35Å; N523-L552 PolarHBondContact ND2-N 3.18Å; N523-L552 PolarHBondContact ND2-O 3.45Å; N523-L552 PolarHBondContact OD1-O 2.98Å; I541-L552 WeakPolarHBondContact CA-O 3.3Å; I541-L552 HydrophobicContact CB-CD1 3.87Å; I541-L552 HydrophobicContact CB-CG 4.32Å; I541-L552 WeakPolarHBondContact CB-O 3.28Å; I541-L552 HydrophobicContact CG1-CD1 3.95Å; I541-L552 HydrophobicContact CG2-CD1 4.47Å; I541-L552 PolarHBondContact N-O 3.13Å; I541-L552 PolarHBondContact O-N 2.88Å; I541-L552 VanDerWaalsContact O-N 3.13Å; V546-L552 HydrophobicContact CG1-CD2 4.1Å; V546-L552 HydrophobicContact CG1-CG 4.42Å; E550-L552 PolarHBondContact O-N 3.47Å; L552-R554 HydrophobicContact CD1-CB 3.77Å
553L97.8Very high92.1Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-86.2131.7158.9-64.3173000107.8P514 I515 V517 N523 V526 V538 L573 W577P514-L553 CarbonylContact C-O 3.59Å; P514-L553 WeakPolarHBondContact CA-O 3.41Å; I515-L553 HydrophobicContact CB-CB 4.43Å; I515-L553 PolarHBondContact N-O 3.37Å; I515-L553 PolarHBondContact O-N 3.22Å; V517-L553 HydrophobicContact CG2-CG 4.24Å; N523-L553 VanDerWaalsContact OD1-CD2 3.28Å; N523-L553 WeakPolarHBondContact OD1-CD2 3.42Å; V526-L553 HydrophobicContact CG1-CD1 3.8Å; V538-L553 HydrophobicContact CG1-CD2 4.42Å; V538-L553 HydrophobicContact CG2-CB 4.18Å; V538-L553 HydrophobicContact CG2-CD2 4.31Å; L553-L573 HydrophobicContact CD1-CD1 3.73Å; L553-W577 HydrophobicContact CD1-CZ3 4.31Å
554R97.6Very high92.8Very high9 Ų935.6 Ų35.63%0.03420%0.196CC..EExtended strand (participates in β ladder)trans-108.5105.9177.5-173.7-178.4175.5-780.1110.3N234 Y236 S369 H397 I512 I541 L552N234-R554 PolarHBondContact OD1-NH1 3.42Å; Y236-R554 PolarHBondContact OH-NH2 2.56Å; S369-R554 PolarHBondContact O-NE 3.41Å; S369-R554 PolarHBondContact O-NH2 3.04Å; H397-R554 PolarHBondContact CE1-NH2 3.19Å; H397-R554 PolarHBondContact ND1-NH2 3.14Å; I512-R554 VanDerWaalsContact CD1-NH2 3.28Å; I512-R554 HydrophobicContact CG2-CG 3.86Å; I541-R554 HydrophobicContact CD1-CB 4.4Å; I541-R554 HydrophobicContact CG1-CB 3.69Å; L552-R554 HydrophobicContact CD1-CB 3.77Å
555I98.3Very high93.5Very high0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-96.6136.8179.8-51.5162.5000109.1W231 L494 L498 I513 I515 V538 F569W231-I555 HydrophobicContact CB-CG2 4.45Å; W231-I555 HydrophobicContact CE3-CG2 4.3Å; L494-I555 HydrophobicContact CD2-CG2 3.84Å; L498-I555 HydrophobicContact CD1-CD1 3.89Å; I513-I555 HydrophobicContact CB-CB 4.26Å; I513-I555 PolarHBondContact N-O 2.73Å; I513-I555 WeakPolarHBondContact O-CB 3.39Å; I513-I555 PolarHBondContact O-N 3.05Å; I515-I555 HydrophobicContact CD1-CD1 3.43Å; I515-I555 VanDerWaalsContact CD1-CD1 3.43Å; I515-I555 HydrophobicContact CG1-CD1 4.01Å; V538-I555 HydrophobicContact CG2-CG1 3.97Å; I555-F569 HydrophobicContact CD1-CE1 3.58Å; I555-F569 HydrophobicContact CD1-CZ 3.58Å; I555-F569 HydrophobicContact CG1-CE1 4.31Å; I555-F569 HydrophobicContact CG1-CZ 3.85Å; I555-F569 HydrophobicContact CG2-CZ 4.33Å
556A98.1Very high94.4Very high0 Ų031 Ų310%017%0.165CC..  trans-134.182.4178.800000108.2W231 S233 Y236W231-A556 PolarHBondContact O-N 2.99Å; S233-A556 WeakPolarHBondContact O-CB 3.44Å; Y236-A556 HydrophobicContact CD1-CB 4.04Å; Y236-A556 HydrophobicContact CE1-CB 3.79Å
557P97.9Very high95.1Very high0 Ų034.8 Ų34.80%018%0.179CC..  trans-64.9164173.931.3-33.8000109.9H487 V491 L494 I513H487-P557 PolarHBondContact CD2-O 2.95Å; H487-P557 PolarHBondContact NE2-O 2.9Å; V491-P557 HydrophobicContact CB-CG 4.37Å; V491-P557 HydrophobicContact CG2-CG 3.79Å; L494-P557 HydrophobicContact CD2-CB 3.78Å; L494-P557 HydrophobicContact CD2-CG 3.99Å; I513-P557 HydrophobicContact CD1-CG 4.01Å
558T98.7Very high95.9Very high1 Ų136.6 Ų36.61%0.00617%0.174CC..  trans-137.6166.7-175.671.80000109.3F212 Y236 N490 H560 H561F212-T558 HydrophobicContact CE1-CG2 4.36Å; F212-T558 HydrophobicContact CZ-CG2 4.08Å; Y236-T558 WeakPolarHBondContact O-CA 3.3Å; Y236-T558 WeakPolarHBondContact O-CB 3.45Å; Y236-T558 VanDerWaalsContact O-CG2 3.28Å; Y236-T558 WeakPolarHBondContact O-CG2 3.21Å; N490-T558 PolarHBondContact ND2-O 3.41Å; T558-H560 PolarHBondContact O-N 2.73Å; T558-H560 PolarHBondContact OG1-N 2.71Å; T558-H561 PolarHBondContact N-ND1 3.19Å; T558-H561 VanDerWaalsContact N-ND1 3.2Å; T558-H561 PolarHBondContact O-N 2.86Å; T558-H561 PolarHBondContact OG1-ND1 3.48Å
559P98.4Very high96.6Very high5 Ų530.3 Ų30.33%0.03215%0.151CC..THydrogen-bonded Turntrans-54.1-14171.1-2835.9000115.6Y236 L237 L483 K486 H487Y236-P559 WeakPolarHBondContact O-CD 3.26Å; L237-P559 HydrophobicContact CD2-CG 3.82Å; L483-P559 HydrophobicContact CD2-CB 4.11Å; L483-P559 HydrophobicContact CD2-CG 4.14Å; L483-P559 WeakPolarHBondContact O-CG 3.47Å; K486-P559 HydrophobicContact CB-CB 4.13Å; K486-P559 HydrophobicContact CD-CB 4.05Å; K486-P559 VanDerWaalsContact CE-O 3.23Å; K486-P559 WeakPolarHBondContact CE-O 3.2Å; K486-P559 HydrophobicContact CG-CB 3.94Å; H487-P559 HydrophobicContact CB-CG 3.82Å
560H98.2Very high97.2Very high52 Ų5229.7 Ų29.724%0.24114%0.141CC..THydrogen-bonded Turntrans-109.5-5.6-172.1-50.6-85000113.3F212 L237 R241 T558F212-H560 HydrophobicContact CD1-CB 3.64Å; F212-H560 AromaticContact CD1-CD2 3.73Å; F212-H560 AromaticContact CD1-CG 3.73Å; F212-H560 HydrophobicContact CE1-CB 3.78Å; F212-H560 AromaticContact CE1-CD2 3.47Å; F212-H560 VanDerWaalsContact CE1-CD2 3.47Å; F212-H560 WeakPolarHBondContact CE1-CD2 3.36Å; F212-H560 AromaticContact CE1-CG 3.84Å; L237-H560 PolarHBondContact O-CD2 2.99Å; L237-H560 PolarHBondContact O-NE2 2.84Å; R241-H560 PolarHBondContact NH2-CE1 2.69Å; R241-H560 PolarHBondContact NH2-ND1 3.34Å; T558-H560 PolarHBondContact O-N 2.73Å; T558-H560 PolarHBondContact OG1-N 2.71Å
561H98.6Very high97.7Very high2 Ų230.6 Ų30.61%0.00915%0.145CC..SBendtrans-76.2120.6164.1-71.392000108.1P213 V230 W231 N490 T558 M566P213-H561 WeakPolarHBondContact CG-NE2 3.34Å; V230-H561 PolarHBondContact O-CE1 3.42Å; V230-H561 PolarHBondContact O-NE2 3.11Å; W231-H561 AromaticContact CD2-CD2 3.62Å; W231-H561 AromaticContact CD2-NE2 3.57Å; W231-H561 AromaticContact CE2-CD2 3.54Å; W231-H561 AromaticContact CE2-NE2 3.79Å; W231-H561 AromaticContact CE3-CD2 3.54Å; W231-H561 AromaticContact CE3-NE2 3.72Å; W231-H561 AromaticContact CG-NE2 4Å; W231-H561 HydrophobicContact CH2-CB 4.01Å; W231-H561 AromaticContact CH2-CD2 3.36Å; W231-H561 WeakPolarHBondContact CH2-CD2 3.49Å; W231-H561 AromaticContact CH2-CG 3.93Å; W231-H561 AromaticContact CZ2-CD2 3.45Å; W231-H561 VanDerWaalsContact CZ2-CD2 3.45Å; W231-H561 WeakPolarHBondContact CZ2-CD2 3.43Å; W231-H561 HydrophobicContact CZ3-CB 4.02Å; W231-H561 AromaticContact CZ3-CD2 3.39Å; W231-H561 WeakPolarHBondContact CZ3-CD2 3.37Å; W231-H561 AromaticContact CZ3-CG 3.76Å; N490-H561 PolarHBondContact ND2-O 3.35Å; T558-H561 PolarHBondContact N-ND1 3.19Å; T558-H561 VanDerWaalsContact N-ND1 3.2Å; T558-H561 PolarHBondContact O-N 2.86Å; T558-H561 PolarHBondContact OG1-ND1 3.48Å; H561-M566 HydrophobicContact CB-CE 4.38Å; H561-M566 WeakPolarHBondContact O-CE 3.49Å
562T97.6Very high98Very high56 Ų5632.4 Ų32.434%0.34415%0.153SC..  trans-83.2161.9-179.481.10000111.6E564 M565 M566T562-E564 WeakPolarHBondContact CB-OE2 3.07Å; T562-E564 PolarHBondContact O-N 2.89Å; T562-E564 PolarHBondContact OG1-N 3.45Å; T562-E564 PolarHBondContact OG1-OE2 3.11Å; T562-M565 HydrophobicContact CG2-SD 4.23Å; T562-M565 WeakPolarHBondContact O-CB 2.87Å; T562-M565 PolarHBondContact O-N 3.23Å; T562-M565 VanDerWaalsContact O-N 3.12Å; T562-M565 WeakPolarHBondContact OG1-CG 3.22Å; T562-M565 PolarHBondContact OG1-N 2.87Å; T562-M566 WeakPolarHBondContact O-CG 3.4Å; T562-M566 PolarHBondContact O-N 3.04Å
563P95.8Very high98.1Very high21 Ų2131.9 Ų31.914%0.13615%0.15CC..Hα-helixtrans-57-33.3175.3-25.336.2000113.5L493 M566 K567 F612 L615L493-P563 HydrophobicContact CD2-CB 4.31Å; L493-P563 HydrophobicContact CD2-CG 4.39Å; P563-M566 PolarHBondContact O-N 3.22Å; P563-K567 WeakPolarHBondContact O-CB 3.23Å; P563-K567 PolarHBondContact O-N 3.01Å; P563-F612 HydrophobicContact CG-CE1 4.2Å; P563-L615 HydrophobicContact CB-CD1 3.94Å
564E97.4Very high98.1Very high131 Ų13133 Ų3361%0.61216%0.157SC*.Hα-helixtrans-68.2-41.9176.3-54.370-149.100111.1T562 M566 K567 Y568T562-E564 WeakPolarHBondContact CB-OE2 3.07Å; T562-E564 PolarHBondContact O-N 2.89Å; T562-E564 PolarHBondContact OG1-N 3.45Å; T562-E564 PolarHBondContact OG1-OE2 3.11Å; E564-M566 VanDerWaalsContact C-N 3.34Å; E564-K567 PolarHBondContact O-N 2.99Å; E564-Y568 WeakPolarHBondContact O-CB 3.21Å; E564-Y568 PolarHBondContact O-N 2.63Å
565M98.4Very high98.2Very high43 Ų4335.8 Ų35.821%0.21217%0.17CC..Hα-helixtrans-62.3-42.1172.9-63.1179.176.400111.2P213 M214 W231 T562 Y568 F569P213-M565 HydrophobicContact CG-CE 3.83Å; M214-M565 HydrophobicContact SD-CE 4.05Å; W231-M565 HydrophobicContact CH2-CB 4.05Å; W231-M565 HydrophobicContact CZ2-CB 3.88Å; W231-M565 WeakPolarHBondContact CZ2-O 3.29Å; T562-M565 HydrophobicContact CG2-SD 4.23Å; T562-M565 WeakPolarHBondContact O-CB 2.87Å; T562-M565 PolarHBondContact O-N 3.23Å; T562-M565 VanDerWaalsContact O-N 3.12Å; T562-M565 WeakPolarHBondContact OG1-CG 3.22Å; T562-M565 PolarHBondContact OG1-N 2.87Å; M565-Y568 PolarHBondContact O-N 3.39Å; M565-F569 VanDerWaalsContact O-CB 3.31Å; M565-F569 WeakPolarHBondContact O-CB 3.44Å; M565-F569 PolarHBondContact O-N 3.1Å
566M98.6Very high98.1Very high0 Ų035.8 Ų35.80%017%0.17CC..Hα-helixtrans-63.3-45.1176.7-68.4-179.9-137.800111.4W231 N490 L493 L494 M497 H561 T562 P563 E564 F569 V570W231-M566 HydrophobicContact CH2-CB 4.39Å; W231-M566 HydrophobicContact CH2-CG 3.91Å; W231-M566 HydrophobicContact CZ3-CG 4.1Å; N490-M566 HydrophobicContact CB-CE 3.67Å; N490-M566 VanDerWaalsContact CG-CE 3.48Å; L493-M566 HydrophobicContact CB-SD 4.46Å; L493-M566 HydrophobicContact CD2-CE 4.44Å; L493-M566 HydrophobicContact CD2-SD 3.92Å; L493-M566 HydrophobicContact CG-SD 4.22Å; L494-M566 HydrophobicContact CB-CG 4.39Å; L494-M566 HydrophobicContact CB-SD 3.89Å; L494-M566 HydrophobicContact CD1-CB 4.08Å; L494-M566 HydrophobicContact CD1-CG 4.21Å; M497-M566 HydrophobicContact CE-CB 4.42Å; M497-M566 HydrophobicContact SD-CB 4.13Å; H561-M566 HydrophobicContact CB-CE 4.38Å; H561-M566 WeakPolarHBondContact O-CE 3.49Å; T562-M566 WeakPolarHBondContact O-CG 3.4Å; T562-M566 PolarHBondContact O-N 3.04Å; P563-M566 PolarHBondContact O-N 3.22Å; E564-M566 VanDerWaalsContact C-N 3.34Å; M566-F569 WeakPolarHBondContact O-CB 3.37Å; M566-F569 PolarHBondContact O-N 3.41Å; M566-V570 VanDerWaalsContact O-CG2 3.31Å; M566-V570 WeakPolarHBondContact O-CG2 3.5Å; M566-V570 PolarHBondContact O-N 3.49Å
567K97.8Very high98.1Very high97 Ų9736 Ų3642%0.42217%0.171SC..Hα-helixtrans-59.1-49.8176.2-179.1171176.3172.10111.6M497 P563 E564 F569 V570 E571 L615M497-K567 HydrophobicContact CE-CB 3.9Å; P563-K567 WeakPolarHBondContact O-CB 3.23Å; P563-K567 PolarHBondContact O-N 3.01Å; E564-K567 PolarHBondContact O-N 2.99Å; K567-F569 VanDerWaalsContact C-N 3.32Å; K567-F569 PolarHBondContact O-N 2.89Å; K567-V570 PolarHBondContact O-N 3.48Å; K567-E571 WeakPolarHBondContact CE-OE1 3.4Å; K567-E571 HydrophobicContact CG-CG 4.49Å; K567-E571 WeakPolarHBondContact CG-OE1 3.45Å; K567-E571 WeakPolarHBondContact O-CB 3.41Å; K567-E571 WeakPolarHBondContact O-CG 3.25Å; K567-E571 PolarHBondContact O-N 3.01Å; K567-L615 HydrophobicContact CD-CD2 4.31Å
568Y98.5Very high98.1Very high98 Ų9842.3 Ų42.338%0.38420%0.199SC..Hα-helixtrans-59.8-42.2176.1-178.5-99.6000112.1H534 I536 E564 M565 K572H534-Y568 PolarHBondContact O-OH 3.43Å; I536-Y568 HydrophobicContact CD1-CD1 3.9Å; I536-Y568 HydrophobicContact CD1-CE1 3.73Å; I536-Y568 HydrophobicContact CG1-CD1 4.47Å; I536-Y568 HydrophobicContact CG1-CE1 4.18Å; E564-Y568 WeakPolarHBondContact O-CB 3.21Å; E564-Y568 PolarHBondContact O-N 2.63Å; M565-Y568 PolarHBondContact O-N 3.39Å; Y568-K572 HydrophobicContact CD1-CG 4.36Å; Y568-K572 HydrophobicContact CD2-CG 4.25Å; Y568-K572 HydrophobicContact CE1-CG 3.96Å; Y568-K572 HydrophobicContact CE2-CD 4.38Å; Y568-K572 HydrophobicContact CE2-CG 3.86Å; Y568-K572 HydrophobicContact CG-CG 4.49Å; Y568-K572 WeakPolarHBondContact O-CB 3.45Å; Y568-K572 WeakPolarHBondContact O-CG 3.44Å; Y568-K572 PolarHBondContact O-N 3.25Å
569F98.8Very high98Very high0 Ų046.5 Ų46.50%022%0.218CC..Hα-helixtrans-58.4-50.2175.8176.9-84.9000112W231 L494 L498 M530 I536 V538 I555 M565 M566 K567 K572 L573W231-F569 HydrophobicContact CB-CD2 4.33Å; W231-F569 HydrophobicContact CB-CE2 3.87Å; W231-F569 AromaticContact CD1-CD2 3.74Å; W231-F569 HydrophobicContact CD2-CB 4.45Å; W231-F569 AromaticContact CD2-CD2 3.43Å; W231-F569 HydrophobicContact CD2-CD2 3.43Å; W231-F569 VanDerWaalsContact CD2-CD2 3.43Å; W231-F569 AromaticContact CD2-CE2 3.87Å; W231-F569 HydrophobicContact CD2-CE2 3.87Å; W231-F569 HydrophobicContact CD2-CG 4.02Å; W231-F569 AromaticContact CE2-CD2 3.49Å; W231-F569 VanDerWaalsContact CE2-CD2 3.49Å; W231-F569 AromaticContact CE2-CG 3.97Å; W231-F569 HydrophobicContact CE3-CD2 4.01Å; W231-F569 HydrophobicContact CE3-CE2 4.38Å; W231-F569 HydrophobicContact CE3-CG 4.22Å; W231-F569 AromaticContact CG-CD2 3.57Å; W231-F569 HydrophobicContact CG-CD2 3.57Å; W231-F569 AromaticContact CG-CE2 3.63Å; W231-F569 HydrophobicContact CG-CE2 3.63Å; W231-F569 HydrophobicContact CH2-CB 3.89Å; W231-F569 HydrophobicContact CH2-CG 4.31Å; W231-F569 HydrophobicContact CZ2-CB 3.61Å; W231-F569 HydrophobicContact CZ2-CD2 4.09Å; W231-F569 HydrophobicContact CZ2-CG 4.09Å; W231-F569 HydrophobicContact CZ3-CB 4.41Å; W231-F569 HydrophobicContact CZ3-CG 4.37Å; W231-F569 AromaticContact NE1-CD2 3.66Å; L494-F569 HydrophobicContact CD1-CD1 4.25Å; L498-F569 HydrophobicContact CD2-CE1 4.2Å; M530-F569 HydrophobicContact CE-CD2 4.38Å; M530-F569 HydrophobicContact CE-CE2 4.27Å; I536-F569 HydrophobicContact CD1-CD2 4.37Å; I536-F569 HydrophobicContact CG2-CD2 3.53Å; I536-F569 HydrophobicContact CG2-CE2 3.58Å; V538-F569 HydrophobicContact CB-CE2 4.2Å; V538-F569 HydrophobicContact CB-CZ 4.49Å; V538-F569 HydrophobicContact CG1-CE2 4.22Å; V538-F569 HydrophobicContact CG1-CZ 4.46Å; I555-F569 HydrophobicContact CD1-CE1 3.58Å; I555-F569 HydrophobicContact CD1-CZ 3.58Å; I555-F569 HydrophobicContact CG1-CE1 4.31Å; I555-F569 HydrophobicContact CG1-CZ 3.85Å; I555-F569 HydrophobicContact CG2-CZ 4.33Å; M565-F569 VanDerWaalsContact O-CB 3.31Å; M565-F569 WeakPolarHBondContact O-CB 3.44Å; M565-F569 PolarHBondContact O-N 3.1Å; M566-F569 WeakPolarHBondContact O-CB 3.37Å; M566-F569 PolarHBondContact O-N 3.41Å; K567-F569 VanDerWaalsContact C-N 3.32Å; K567-F569 PolarHBondContact O-N 2.89Å; F569-K572 PolarHBondContact O-N 3.48Å; F569-L573 HydrophobicContact CE1-CB 4.45Å; F569-L573 HydrophobicContact CE1-CD2 3.75Å; F569-L573 HydrophobicContact CZ-CD2 4.09Å; F569-L573 VanDerWaalsContact O-CB 3.26Å; F569-L573 WeakPolarHBondContact O-CB 3.46Å; F569-L573 PolarHBondContact O-N 3.14Å
570V98.5Very high97.8Very high13 Ų1346.3 Ų46.38%0.07922%0.217CC..Hα-helixtrans-64.4-46.7-179.2175.90000110.7L494 M497 L498 A501 M566 K567 K572 L573 V574L494-V570 HydrophobicContact CD1-CG2 3.7Å; M497-V570 HydrophobicContact CB-CG2 3.98Å; L498-V570 HydrophobicContact CD2-CG1 4.49Å; L498-V570 HydrophobicContact CD2-CG2 3.77Å; L498-V570 HydrophobicContact CG-CG2 4.05Å; A501-V570 HydrophobicContact CB-CG1 3.86Å; M566-V570 VanDerWaalsContact O-CG2 3.31Å; M566-V570 WeakPolarHBondContact O-CG2 3.5Å; M566-V570 PolarHBondContact O-N 3.49Å; K567-V570 PolarHBondContact O-N 3.48Å; V570-K572 VanDerWaalsContact C-N 3.35Å; V570-K572 PolarHBondContact O-N 3.16Å; V570-L573 PolarHBondContact O-N 2.92Å; V570-V574 HydrophobicContact CG1-CG2 4.3Å; V570-V574 WeakPolarHBondContact O-CB 3.48Å; V570-V574 VanDerWaalsContact O-CG2 3.24Å; V570-V574 WeakPolarHBondContact O-CG2 3.42Å; V570-V574 PolarHBondContact O-N 3.3Å
571E98.3Very high97.7Very high94 Ų9447.1 Ų47.144%0.43924%0.239SC..Hα-helixtrans-56.8-45.5177.2-74.5175.7-170.800112.3K567 Q575K567-E571 WeakPolarHBondContact CE-OE1 3.4Å; K567-E571 HydrophobicContact CG-CG 4.49Å; K567-E571 WeakPolarHBondContact CG-OE1 3.45Å; K567-E571 WeakPolarHBondContact O-CB 3.41Å; K567-E571 WeakPolarHBondContact O-CG 3.25Å; K567-E571 PolarHBondContact O-N 3.01Å; E571-Q575 WeakPolarHBondContact O-CB 3.35Å; E571-Q575 PolarHBondContact O-N 2.77Å
572K98.7Very high97.5Very high47 Ų4748.5 Ų48.520%0.20425%0.247CC..Hα-helixtrans-75.4-32.3-179.8-65.6-40.1-176.2-165.30113.7M530 H534 I536 Y568 F569 V570 T576M530-K572 HydrophobicContact CE-CB 4.27Å; M530-K572 VanDerWaalsContact SD-C 3.55Å; M530-K572 HydrophobicContact SD-CB 4.21Å; M530-K572 VanDerWaalsContact SD-O 3.41Å; H534-K572 HydrophobicContact CB-CB 4.05Å; H534-K572 HydrophobicContact CB-CG 4.09Å; I536-K572 HydrophobicContact CD1-CB 3.89Å; I536-K572 HydrophobicContact CD1-CG 4.37Å; Y568-K572 HydrophobicContact CD1-CG 4.36Å; Y568-K572 HydrophobicContact CD2-CG 4.25Å; Y568-K572 HydrophobicContact CE1-CG 3.96Å; Y568-K572 HydrophobicContact CE2-CD 4.38Å; Y568-K572 HydrophobicContact CE2-CG 3.86Å; Y568-K572 HydrophobicContact CG-CG 4.49Å; Y568-K572 WeakPolarHBondContact O-CB 3.45Å; Y568-K572 WeakPolarHBondContact O-CG 3.44Å; Y568-K572 PolarHBondContact O-N 3.25Å; F569-K572 PolarHBondContact O-N 3.48Å; V570-K572 VanDerWaalsContact C-N 3.35Å; V570-K572 PolarHBondContact O-N 3.16Å; K572-T576 WeakPolarHBondContact O-CB 3.34Å; K572-T576 PolarHBondContact O-N 3.18Å; K572-T576 PolarHBondContact O-OG1 3.48Å
573L98.5Very high97.2Very high0 Ų048.6 Ų48.60%026%0.259CS..Hα-helixtrans-65.7-46.9172.2-177.557.5000110.9L498 L503 I515 V526 M530 L553 F569 V570 Q575 T576 W577L498-L573 HydrophobicContact CD2-CD2 3.98Å; L503-L573 HydrophobicContact CD1-CD2 3.79Å; L503-L573 HydrophobicContact CD1-CG 4.05Å; L503-L573 HydrophobicContact CD2-CG 4.48Å; I515-L573 HydrophobicContact CD1-CD2 3.62Å; V526-L573 HydrophobicContact CG1-CD1 3.83Å; M530-L573 HydrophobicContact CE-CB 3.79Å; M530-L573 HydrophobicContact CE-CD1 4.33Å; M530-L573 HydrophobicContact SD-CB 4.33Å; M530-L573 HydrophobicContact SD-CD1 4.39Å; L553-L573 HydrophobicContact CD1-CD1 3.73Å; F569-L573 HydrophobicContact CE1-CB 4.45Å; F569-L573 HydrophobicContact CE1-CD2 3.75Å; F569-L573 HydrophobicContact CZ-CD2 4.09Å; F569-L573 VanDerWaalsContact O-CB 3.26Å; F569-L573 WeakPolarHBondContact O-CB 3.46Å; F569-L573 PolarHBondContact O-N 3.14Å; V570-L573 PolarHBondContact O-N 2.92Å; L573-Q575 VanDerWaalsContact C-N 3.34Å; L573-Q575 PolarHBondContact O-N 3.16Å; L573-T576 PolarHBondContact O-N 2.94Å; L573-W577 HydrophobicContact CD1-CE3 4.33Å; L573-W577 VanDerWaalsContact O-CB 3.23Å; L573-W577 WeakPolarHBondContact O-CB 3.18Å; L573-W577 PolarHBondContact O-N 3.33Å
574V98.1Very high97Very high23 Ų2350.4 Ų50.414%0.13927%0.267CS..Hα-helixtrans-60.6-42.4176.6170.80000111.9A501 L503 V570 K578 L584A501-V574 HydrophobicContact CB-CG2 3.68Å; L503-V574 HydrophobicContact CD1-CG2 4.04Å; L503-V574 HydrophobicContact CG-CG2 4.36Å; V570-V574 HydrophobicContact CG1-CG2 4.3Å; V570-V574 WeakPolarHBondContact O-CB 3.48Å; V570-V574 VanDerWaalsContact O-CG2 3.24Å; V570-V574 WeakPolarHBondContact O-CG2 3.42Å; V570-V574 PolarHBondContact O-N 3.3Å; V574-K578 HydrophobicContact CG1-CD 4.46Å; V574-K578 WeakPolarHBondContact O-CG 3.27Å; V574-K578 PolarHBondContact O-N 2.85Å; V574-L584 HydrophobicContact CG1-CD1 4.25Å
575Q98Very high96.1Very high68 Ų6851.5 Ų51.532%0.31827%0.269SS..Hα-helixtrans-58.1-54173.9177.8176.6-600110.6E571 L573 W577 K578 E579E571-Q575 WeakPolarHBondContact O-CB 3.35Å; E571-Q575 PolarHBondContact O-N 2.77Å; L573-Q575 VanDerWaalsContact C-N 3.34Å; L573-Q575 PolarHBondContact O-N 3.16Å; Q575-W577 VanDerWaalsContact C-N 3.33Å; Q575-W577 PolarHBondContact O-N 2.85Å; Q575-K578 PolarHBondContact O-N 3.29Å; Q575-E579 VanDerWaalsContact CG-OE1 3.23Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.44Å; Q575-E579 PolarHBondContact NE2-OE1 2.92Å; Q575-E579 WeakPolarHBondContact O-CG 3.45Å; Q575-E579 PolarHBondContact O-N 3.4Å
576T98.2Very high94.7Very high0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-61.5-38.8-179.2-58.90000112.7V526 I529 M530 H534 K572 L573 E579 S580V526-T576 HydrophobicContact CB-CG2 4.18Å; V526-T576 HydrophobicContact CG1-CG2 3.86Å; V526-T576 HydrophobicContact CG2-CG2 4.25Å; I529-T576 HydrophobicContact CB-CG2 3.59Å; I529-T576 HydrophobicContact CD1-CG2 4.09Å; I529-T576 HydrophobicContact CG1-CG2 4.45Å; I529-T576 HydrophobicContact CG2-CG2 3.49Å; I529-T576 VanDerWaalsContact CG2-CG2 3.49Å; M530-T576 HydrophobicContact CG-CG2 4.22Å; M530-T576 HydrophobicContact SD-CG2 4.44Å; M530-T576 PolarHBondContact SD-OG1 3.12Å; M530-T576 VanDerWaalsContact SD-OG1 3.32Å; H534-T576 PolarHBondContact CD2-OG1 3.49Å; H534-T576 PolarHBondContact NE2-OG1 2.93Å; K572-T576 WeakPolarHBondContact O-CB 3.34Å; K572-T576 PolarHBondContact O-N 3.18Å; K572-T576 PolarHBondContact O-OG1 3.48Å; L573-T576 PolarHBondContact O-N 2.94Å; T576-E579 PolarHBondContact O-N 3.04Å; T576-S580 WeakPolarHBondContact O-CB 3.35Å; T576-S580 PolarHBondContact O-N 2.97Å; T576-S580 PolarHBondContact O-OG 3.41Å
577W97.6Very high93.1Very high6 Ų657.2 Ų57.22%0.02331%0.306CS..Hα-helixtrans-59.7-48.6179.4-162.2-92.5000111.1L503 P504 I515 V517 L553 L573 Q575 S580 G581 L582 G583 L584L503-W577 HydrophobicContact CD2-CB 4.19Å; L503-W577 HydrophobicContact CD2-CD2 3.57Å; L503-W577 HydrophobicContact CD2-CE3 3.85Å; L503-W577 HydrophobicContact CD2-CG 3.73Å; L503-W577 HydrophobicContact CD2-CZ3 4.49Å; P504-W577 HydrophobicContact CG-CH2 3.83Å; P504-W577 HydrophobicContact CG-CZ2 3.42Å; P504-W577 VanDerWaalsContact CG-CZ2 3.42Å; I515-W577 HydrophobicContact CG2-CH2 3.72Å; I515-W577 HydrophobicContact CG2-CZ3 3.83Å; V517-W577 HydrophobicContact CB-CH2 4.43Å; V517-W577 HydrophobicContact CG2-CH2 3.74Å; V517-W577 HydrophobicContact CG2-CZ3 3.85Å; L553-W577 HydrophobicContact CD1-CZ3 4.31Å; L573-W577 HydrophobicContact CD1-CE3 4.33Å; L573-W577 VanDerWaalsContact O-CB 3.23Å; L573-W577 WeakPolarHBondContact O-CB 3.18Å; L573-W577 PolarHBondContact O-N 3.33Å; Q575-W577 VanDerWaalsContact C-N 3.33Å; Q575-W577 PolarHBondContact O-N 2.85Å; W577-S580 PolarHBondContact O-N 2.82Å; W577-G581 PolarHBondContact O-N 3.32Å; W577-L582 HydrophobicContact CD2-CB 3.93Å; W577-L582 HydrophobicContact CD2-CD1 3.82Å; W577-L582 HydrophobicContact CE3-CD1 3.92Å; W577-L582 HydrophobicContact CG-CB 3.88Å; W577-L582 HydrophobicContact CG-CD1 4.39Å; W577-L582 HydrophobicContact CH2-CD1 4.09Å; W577-L582 HydrophobicContact CZ2-CB 4.15Å; W577-L582 HydrophobicContact CZ2-CD1 3.98Å; W577-L582 HydrophobicContact CZ3-CD1 4.07Å; W577-L582 VanDerWaalsContact NE1-CB 3.32Å; W577-L582 WeakPolarHBondContact O-CB 3.26Å; W577-L582 PolarHBondContact O-N 3.41Å; W577-G583 PolarHBondContact NE1-O 3.31Å; W577-L584 HydrophobicContact CG-CD2 4.25Å
578K96.7Very high90.9Very high132 Ų13258.4 Ų58.457%0.57433%0.326SS*.Hα-helixtrans-65.6-44.7175.7-67.4176.3-175.5178.60112V574 Q575 S580 G581V574-K578 HydrophobicContact CG1-CD 4.46Å; V574-K578 WeakPolarHBondContact O-CG 3.27Å; V574-K578 PolarHBondContact O-N 2.85Å; Q575-K578 PolarHBondContact O-N 3.29Å; K578-S580 PolarHBondContact O-N 2.84Å; K578-G581 PolarHBondContact O-N 3.38Å
579E96.6Very high89.1Confident88 Ų8855.9 Ų55.941%0.41132%0.323SS..Hα-helixtrans-60.3-34.3177-73.9-177.5-154.300112.1R533 Q575 T576 G581R533-E579 IonicContact CZ-OE2 2.7Å; R533-E579 VanDerWaalsContact CZ-OE2 3.26Å; R533-E579 IonicContact NH1-OE2 3.53Å; R533-E579 PolarHBondContact NH1-OE2 2.88Å; R533-E579 IonicContact NH2-OE1 3.98Å; R533-E579 IonicContact NH2-OE2 3.42Å; R533-E579 PolarHBondContact NH2-OE2 3.28Å; Q575-E579 VanDerWaalsContact CG-OE1 3.23Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.44Å; Q575-E579 PolarHBondContact NE2-OE1 2.92Å; Q575-E579 WeakPolarHBondContact O-CG 3.45Å; Q575-E579 PolarHBondContact O-N 3.4Å; T576-E579 PolarHBondContact O-N 3.04Å; E579-G581 PolarHBondContact O-N 3.16Å
580S95.6Very high87.3Confident2 Ų257.7 Ų57.71%0.01434%0.338CS..THydrogen-bonded Turntrans-77.9-0.2176.7-50.50000113.6K522 V526 T576 W577 K578 L582K522-S580 WeakPolarHBondContact CE-O 3.35Å; K522-S580 PolarHBondContact NZ-O 3.09Å; V526-S580 WeakPolarHBondContact CG2-OG 3.17Å; T576-S580 WeakPolarHBondContact O-CB 3.35Å; T576-S580 PolarHBondContact O-N 2.97Å; T576-S580 PolarHBondContact O-OG 3.41Å; W577-S580 PolarHBondContact O-N 2.82Å; K578-S580 PolarHBondContact O-N 2.84Å; S580-L582 VanDerWaalsContact C-N 3.35Å
581G95.7Very high85.8Confident68 Ų6861.3 Ų61.370%0.70135%0.354SS*.THydrogen-bonded Turntrans7617.1-178.400000114.7W577 K578 E579W577-G581 PolarHBondContact O-N 3.32Å; K578-G581 PolarHBondContact O-N 3.38Å; E579-G581 PolarHBondContact O-N 3.16Å
582L94.9Very high84.2Confident32 Ų3257.1 Ų57.117%0.16834%0.335CS..PPolyproline II helixtrans-87.1134.6178.4-60.7171.7000110.6V517 K522 V526 W577 S580V517-L582 HydrophobicContact CG1-CD1 4.01Å; V517-L582 HydrophobicContact CG1-CD2 4.46Å; K522-L582 HydrophobicContact CB-CD2 4.13Å; K522-L582 HydrophobicContact CG-CD2 4.21Å; V526-L582 HydrophobicContact CG2-CD1 3.8Å; W577-L582 HydrophobicContact CD2-CB 3.93Å; W577-L582 HydrophobicContact CD2-CD1 3.82Å; W577-L582 HydrophobicContact CE3-CD1 3.92Å; W577-L582 HydrophobicContact CG-CB 3.88Å; W577-L582 HydrophobicContact CG-CD1 4.39Å; W577-L582 HydrophobicContact CH2-CD1 4.09Å; W577-L582 HydrophobicContact CZ2-CB 4.15Å; W577-L582 HydrophobicContact CZ2-CD1 3.98Å; W577-L582 HydrophobicContact CZ3-CD1 4.07Å; W577-L582 VanDerWaalsContact NE1-CB 3.32Å; W577-L582 WeakPolarHBondContact O-CB 3.26Å; W577-L582 PolarHBondContact O-N 3.41Å; S580-L582 VanDerWaalsContact C-N 3.35Å
583G91.3Very high82.9Confident58 Ų5859.3 Ų59.360%0.59835%0.349SS*.PPolyproline II helixtrans-74.1141.1177.900000112.5W577W577-G583 PolarHBondContact NE1-O 3.31Å
584L90.8Very high81.5Confident58 Ų5863.2 Ų63.230%0.30437%0.366SS..PPolyproline II helixtrans-84.7144.5162.4-63.6176000109.2G502 L503 V574 W577G502-L584 CarbonylContact O-C 3.5Å; G502-L584 VanDerWaalsContact O-CA 3.31Å; G502-L584 WeakPolarHBondContact O-CA 3.42Å; G502-L584 WeakPolarHBondContact O-CB 3.39Å; G502-L584 WeakPolarHBondContact O-CD2 3.3Å; L503-L584 HydrophobicContact CD2-CD2 3.7Å; L503-L584 HydrophobicContact CG-CD2 4.05Å; V574-L584 HydrophobicContact CG1-CD1 4.25Å; W577-L584 HydrophobicContact CG-CD2 4.25Å
585K79.4Confident79.8Confident154 Ų15465.1 Ų65.167%0.6738%0.38SS*.  trans-132.8119.8176.3-67.5-174.5179.3-177.50108.5G502 H587G502-K585 CarbonylContact C-O 3.56Å; G502-K585 PolarHBondContact O-N 3.14Å; G502-K585 VanDerWaalsContact O-O 3.09Å; K585-H587 PolarHBondContact O-N 2.98Å
586P67.3Low78.3Confident118 Ų11868.9 Ų68.977%0.76640%0.397SS*.  trans-54.4137.6169.5-2333.7000110.2S588P586-S588 PolarHBondContact O-N 3.23Å
587H65.6Low76.3Confident46 Ų4674.9 Ų74.921%0.21343%0.425CS..  trans-73.2124.6172.4-10673.1000109.7M499 V505 K585M499-H587 HydrophobicContact CE-CB 4.03Å; V505-H587 PolarHBondContact O-CE1 3.38Å; V505-H587 PolarHBondContact O-NE2 2.97Å; K585-H587 PolarHBondContact O-N 2.98Å
588S52.8Low74.1Confident121 Ų12178.4 Ų78.485%0.84645%0.449SS*.  trans-105.53.5-178.7650000113.9P586P586-S588 PolarHBondContact O-N 3.23Å
589S60.1Low72Confident46 Ų4674.2 Ų74.232%0.32243%0.433SS..  trans-119.3136.6179.8-178.30000111.2E591S589-E591 PolarHBondContact OG-N 3.48Å
590A61.5Low69.5Low37 Ų3776.5 Ų76.531%0.30644%0.443SS..SBendtrans-103.731.1172.100000111.6L599 A621A590-L599 VanDerWaalsContact C-CG 3.45Å; A590-L599 WeakPolarHBondContact O-CB 3.37Å; A590-L599 VanDerWaalsContact O-CG 3.3Å; A590-L599 WeakPolarHBondContact O-CG 3.41Å; A590-L599 PolarHBondContact O-N 3.13Å; A590-A621 HydrophobicContact CB-CB 3.73Å
591E67.1Low67.2Low89 Ų8980.2 Ų80.242%0.41646%0.459SS..BIsolated β-bridgetrans-132.7159.1-179.6-67173-177.100111.9S589 Q597S589-E591 PolarHBondContact OG-N 3.48Å; E591-Q597 WeakPolarHBondContact CA-O 3.44Å
592C64.8Low64.4Low7 Ų783.4 Ų83.45%0.04746%0.456CS..  trans-74.7135.3173.4175.20000112.5H507 F594 C595 Q596 Q597H507-C592 PolarHBondContact O-SG 3.18Å; C592-F594 PolarHBondContact O-N 3.38Å; C592-F594 PolarHBondContact SG-N 2.68Å; C592-C595 VanDerWaalsContact SG-SG 3.66Å; C592-Q596 WeakPolarHBondContact O-CA 3.44Å; C592-Q596 PolarHBondContact O-N 3.01Å; C592-Q597 PolarHBondContact N-O 3.43Å
593N70.8Confident61.7Low92 Ų9289 Ų8949%0.49249%0.485SS..THydrogen-bonded Turntrans-60.1-18.3-179-68.113.3000115H507H507-N593 WeakPolarHBondContact CB-OD1 3.43Å; H507-N593 PolarHBondContact N-ND2 3.13Å; H507-N593 PolarHBondContact O-N 3.32Å
594F68.1Low59.3Low83 Ų8388.4 Ų88.436%0.36447%0.467SS..THydrogen-bonded Turntrans-109.3-51.1-174.1-68.6-82000113.3D371 A373 V506 C592D371-F594 HydrophobicContact CB-CE2 3.98Å; D371-F594 HydrophobicContact CB-CZ 3.59Å; D371-F594 VanDerWaalsContact CG-CZ 3.46Å; A373-F594 HydrophobicContact CB-CB 4.4Å; A373-F594 HydrophobicContact CB-CD1 4.16Å; A373-F594 HydrophobicContact CB-CD2 3.93Å; A373-F594 HydrophobicContact CB-CE1 4.45Å; A373-F594 HydrophobicContact CB-CE2 4.23Å; A373-F594 HydrophobicContact CB-CG 3.89Å; A373-F594 HydrophobicContact CB-CZ 4.49Å; V506-F594 HydrophobicContact CG1-CE2 3.92Å; V506-F594 HydrophobicContact CG1-CZ 4.5Å; C592-F594 PolarHBondContact O-N 3.38Å; C592-F594 PolarHBondContact SG-N 2.68Å
595C61.9Low57.2Low63 Ų6388.2 Ų88.243%0.42647%0.471SS..THydrogen-bonded Turntrans-100.5-0.5-176.6610000114.4C592 Q597C592-C595 VanDerWaalsContact SG-SG 3.66Å; C595-Q597 HydrophobicContact CB-CG 4.19Å; C595-Q597 PolarHBondContact O-N 2.72Å
596Q66.6Low55.8Low147 Ų14788.6 Ų88.669%0.68748%0.475SS*.  trans53.714-177.4-62.3-178-21.300114.8C592C592-Q596 WeakPolarHBondContact O-CA 3.44Å; C592-Q596 PolarHBondContact O-N 3.01Å
597Q56.9Low54.6Low125 Ų12589.9 Ų89.958%0.58447%0.465SS*.  trans-69.4137.5176.6-68.5-62-4100110E591 C592 C595E591-Q597 WeakPolarHBondContact CA-O 3.44Å; C592-Q597 PolarHBondContact N-O 3.43Å; C595-Q597 HydrophobicContact CB-CG 4.19Å; C595-Q597 PolarHBondContact O-N 2.72Å
598P52.5Low53.6Low81 Ų8190.3 Ų90.353%0.52647%0.467SS..BIsolated β-bridgetrans-55.3145.5173.9-26.234.7000111.9H600P598-H600 PolarHBondContact O-N 2.8Å
599L52.6Low53.5Low44 Ų4490.3 Ų90.323%0.2345%0.451CS..  trans-78.266.4176.3-60.7-178.4000111.1H507 A590 F601H507-L599 WeakPolarHBondContact CD2-CD2 3.38Å; H507-L599 WeakPolarHBondContact CE1-CD1 3.45Å; H507-L599 WeakPolarHBondContact NE2-CD2 3.43Å; A590-L599 VanDerWaalsContact C-CG 3.45Å; A590-L599 WeakPolarHBondContact O-CB 3.37Å; A590-L599 VanDerWaalsContact O-CG 3.3Å; A590-L599 WeakPolarHBondContact O-CG 3.41Å; A590-L599 PolarHBondContact O-N 3.13Å; L599-F601 HydrophobicContact CB-CD2 4.14Å; L599-F601 HydrophobicContact CB-CE2 3.86Å; L599-F601 HydrophobicContact CD1-CE2 4.21Å; L599-F601 HydrophobicContact CG-CE2 4.43Å; L599-F601 PolarHBondContact O-N 2.83Å
600H42.7Very low53Low136 Ų13692 Ų9263%0.6346%0.464SS*.  trans-71.277.6166.7-123.9-97.7000109.4P598 E602P598-H600 PolarHBondContact O-N 2.8Å; H600-E602 IonicContact CE1-OE1 3.63Å; H600-E602 PolarHBondContact CE1-OE1 3.06Å; H600-E602 VanDerWaalsContact CE1-OE1 3.26Å; H600-E602 IonicContact CE1-OE2 2.59Å; H600-E602 WeakPolarHBondContact ND1-CG 3.31Å; H600-E602 IonicContact ND1-OE1 2.72Å; H600-E602 IonicContact ND1-OE2 3.13Å; H600-E602 PolarHBondContact ND1-OE2 3.49Å; H600-E602 PolarHBondContact O-N 3.13Å
601F47Very low52.1Low80 Ų8098.1 Ų98.135%0.35148%0.48SS..  trans-72.153.9158.5-62-66.6000109.8Q492 H507 L599Q492-F601 HydrophobicContact CG-CD1 4.31Å; Q492-F601 HydrophobicContact CG-CE1 4.35Å; H507-F601 AromaticContact CE1-CZ 3.89Å; H507-F601 AromaticContact NE2-CZ 3.87Å; L599-F601 HydrophobicContact CB-CD2 4.14Å; L599-F601 HydrophobicContact CB-CE2 3.86Å; L599-F601 HydrophobicContact CD1-CE2 4.21Å; L599-F601 HydrophobicContact CG-CE2 4.43Å; L599-F601 PolarHBondContact O-N 2.83Å
602E37.3Very low51.2Low135 Ų13594.1 Ų94.163%0.63146%0.461SS*.  trans-64.1144164.2-121.7170.8-167.400108.4H600H600-E602 IonicContact CE1-OE1 3.63Å; H600-E602 PolarHBondContact CE1-OE1 3.06Å; H600-E602 VanDerWaalsContact CE1-OE1 3.26Å; H600-E602 IonicContact CE1-OE2 2.59Å; H600-E602 WeakPolarHBondContact ND1-CG 3.31Å; H600-E602 IonicContact ND1-OE1 2.72Å; H600-E602 IonicContact ND1-OE2 3.13Å; H600-E602 PolarHBondContact ND1-OE2 3.49Å; H600-E602 PolarHBondContact O-N 3.13Å
603L38.8Very low50.3Low150 Ų15098.5 Ų98.579%0.78549%0.492SS*.  trans74.351.7178.5-45.3170.7000116.2
604M41.8Very low49.6Very low45 Ų4597.1 Ų97.122%0.22250%0.499CS..  -86.7118.1119.9-71.9-168.4-161.900107.8E608 K609 F612M604-E608 HydrophobicContact CB-CB 4.09Å; M604-E608 HydrophobicContact CG-CB 4.39Å; M604-K609 HydrophobicContact CB-CG 3.92Å; M604-K609 WeakPolarHBondContact O-CE 3.46Å; M604-F612 HydrophobicContact CE-CD2 4.45Å; M604-F612 HydrophobicContact SD-CD2 4.03Å
605S45.6Very low48.7Very low54 Ų5495.7 Ų95.738%0.37850%0.495SS..  trans-56.2156.7167.661.40000110.7R607 E608 K609S605-R607 PolarHBondContact O-N 2.97Å; S605-R607 VanDerWaalsContact O-N 3.1Å; S605-E608 WeakPolarHBondContact CB-OE2 3.29Å; S605-E608 PolarHBondContact N-OE2 3.31Å; S605-E608 PolarHBondContact O-N 2.98Å; S605-E608 WeakPolarHBondContact OG-CG 3.47Å; S605-E608 PolarHBondContact OG-N 2.64Å; S605-E608 VanDerWaalsContact OG-N 3.12Å; S605-E608 PolarHBondContact OG-OE2 2.7Å; S605-K609 WeakPolarHBondContact O-CG 3.41Å; S605-K609 PolarHBondContact O-N 2.73Å
606E49.1Very low48.1Very low162 Ų16294 Ų9476%0.75748%0.484SS*.Hα-helixtrans-57-29.4174.8-66.4-134.7131.300112.3K609 S610E606-K609 PolarHBondContact O-N 3.26Å; E606-S610 PolarHBondContact O-N 2.91Å
607R42.6Very low47.3Very low145 Ų14593.7 Ų93.755%0.54748%0.482SS..Hα-helixtrans-66.1-46.3173.5-162.5178.8-169.5-173.53.7111.8S605 S610 Y611S605-R607 PolarHBondContact O-N 2.97Å; S605-R607 VanDerWaalsContact O-N 3.1Å; R607-S610 PolarHBondContact O-N 2.73Å; R607-S610 PolarHBondContact O-OG 3.23Å; R607-Y611 PolarHBondContact O-N 2.85Å
608E45.8Very low46.6Very low54 Ų5493.5 Ų93.525%0.25249%0.491SS..Hα-helixtrans-64-39.7173.7-74.1162.7118.700112.4R489 M604 S605 S610 Y611 F612R489-E608 VanDerWaalsContact CD-OE1 3.23Å; R489-E608 WeakPolarHBondContact CD-OE1 3.36Å; M604-E608 HydrophobicContact CB-CB 4.09Å; M604-E608 HydrophobicContact CG-CB 4.39Å; S605-E608 WeakPolarHBondContact CB-OE2 3.29Å; S605-E608 PolarHBondContact N-OE2 3.31Å; S605-E608 PolarHBondContact O-N 2.98Å; S605-E608 WeakPolarHBondContact OG-CG 3.47Å; S605-E608 PolarHBondContact OG-N 2.64Å; S605-E608 VanDerWaalsContact OG-N 3.12Å; S605-E608 PolarHBondContact OG-OE2 2.7Å; E608-S610 PolarHBondContact O-N 3.35Å; E608-Y611 PolarHBondContact O-N 3.06Å; E608-Y611 VanDerWaalsContact O-N 3.12Å; E608-F612 HydrophobicContact CB-CD2 4.27Å; E608-F612 HydrophobicContact CB-CE2 4.37Å; E608-F612 VanDerWaalsContact O-CD2 3.25Å; E608-F612 WeakPolarHBondContact O-CD2 3.24Å; E608-F612 PolarHBondContact O-N 2.81Å
609K49.6Very low46.1Very low121 Ų12192.8 Ų92.853%0.52648%0.483SS..Hα-helixtrans-58.3-38172-66.2177.4-175.6172.60111.6M604 S605 E606 S613M604-K609 HydrophobicContact CB-CG 3.92Å; M604-K609 WeakPolarHBondContact O-CE 3.46Å; S605-K609 WeakPolarHBondContact O-CG 3.41Å; S605-K609 PolarHBondContact O-N 2.73Å; E606-K609 PolarHBondContact O-N 3.26Å; K609-S613 WeakPolarHBondContact O-CA 3.31Å; K609-S613 PolarHBondContact O-N 2.98Å; K609-S613 VanDerWaalsContact O-N 3.07Å
610S50.7Low45.3Very low83 Ų8395.1 Ų95.158%0.5850%0.503SS*.Hα-helixtrans-70-38.6173.980.30000113.2E606 R607 E608 S613E606-S610 PolarHBondContact O-N 2.91Å; R607-S610 PolarHBondContact O-N 2.73Å; R607-S610 PolarHBondContact O-OG 3.23Å; E608-S610 PolarHBondContact O-N 3.35Å; S610-S613 VanDerWaalsContact O-CB 3.26Å; S610-S613 WeakPolarHBondContact O-CB 3.45Å; S610-S613 PolarHBondContact O-N 2.92Å
611Y42.3Very low44.8Very low164 Ų16492.3 Ų92.364%0.64350%0.503SS*.Hα-helixtrans-70.4-33.9179.6-172.7-93.5000112.8R607 E608R607-Y611 PolarHBondContact O-N 2.85Å; E608-Y611 PolarHBondContact O-N 3.06Å; E608-Y611 VanDerWaalsContact O-N 3.12Å
612F47.5Very low43.8Very low6 Ų693.7 Ų93.73%0.02652%0.521CS..THydrogen-bonded Turntrans-97.810.6176.1-60.2-56.9000113.7R489 L493 P563 M604 E608 G614 L615R489-F612 HydrophobicContact CG-CE2 4.01Å; R489-F612 HydrophobicContact CG-CZ 4.06Å; L493-F612 HydrophobicContact CD1-CD1 4.25Å; L493-F612 HydrophobicContact CD1-CG 4.35Å; L493-F612 HydrophobicContact CD2-CD1 3.84Å; L493-F612 HydrophobicContact CD2-CE1 3.55Å; L493-F612 HydrophobicContact CD2-CZ 4.11Å; P563-F612 HydrophobicContact CG-CE1 4.2Å; M604-F612 HydrophobicContact CE-CD2 4.45Å; M604-F612 HydrophobicContact SD-CD2 4.03Å; E608-F612 HydrophobicContact CB-CD2 4.27Å; E608-F612 HydrophobicContact CB-CE2 4.37Å; E608-F612 VanDerWaalsContact O-CD2 3.25Å; E608-F612 WeakPolarHBondContact O-CD2 3.24Å; E608-F612 PolarHBondContact O-N 2.81Å; F612-G614 PolarHBondContact O-N 3.29Å; F612-L615 HydrophobicContact CD1-CD1 4.09Å; F612-L615 WeakPolarHBondContact O-CB 3.44Å; F612-L615 PolarHBondContact O-N 3.06Å
613S47Very low43.5Very low99 Ų9995.5 Ų95.569%0.69256%0.559SS**THydrogen-bonded Turntrans-57119.7-179.4-176.80000111.1K609 S610K609-S613 WeakPolarHBondContact O-CA 3.31Å; K609-S613 PolarHBondContact O-N 2.98Å; K609-S613 VanDerWaalsContact O-N 3.07Å; S610-S613 VanDerWaalsContact O-CB 3.26Å; S610-S613 WeakPolarHBondContact O-CB 3.45Å; S610-S613 PolarHBondContact O-N 2.92Å
614G54.8Low43.8Very low62 Ų6292.8 Ų92.864%0.63955%0.548SS*.THydrogen-bonded Turntrans86.37.4-178.500000116F612F612-G614 PolarHBondContact O-N 3.29Å
615L49.3Very low43.9Very low53 Ų5395.3 Ų95.328%0.27757%0.565SS.*THydrogen-bonded Turntrans-98.5-22.2173.2-67.2175000114.1M497 P563 K567 F612M497-L615 WeakPolarHBondContact CG-O 3.47Å; P563-L615 HydrophobicContact CB-CD1 3.94Å; K567-L615 HydrophobicContact CD-CD2 4.31Å; F612-L615 HydrophobicContact CD1-CD1 4.09Å; F612-L615 WeakPolarHBondContact O-CB 3.44Å; F612-L615 PolarHBondContact O-N 3.06Å
616S49.3Very low43.8Very low27 Ų2797.6 Ų97.619%0.18958%0.575CS.*  trans-152.9160.6174.654.50000110.5D500D500-S616 WeakPolarHBondContact OD2-CA 3.47Å; D500-S616 VanDerWaalsContact OD2-CB 3.3Å; D500-S616 WeakPolarHBondContact OD2-CB 3.48Å
617H50.1Low43.5Very low142 Ų14293.8 Ų93.866%0.65757%0.565SS**  trans-117136.7173.9-67.6-54.1000110Q496 D500 I619Q496-H617 PolarHBondContact NE2-O 3.3Å; D500-H617 VanDerWaalsContact OD1-O 3.1Å; D500-H617 PolarHBondContact OD2-N 3.29Å; H617-I619 PolarHBondContact O-N 3.32Å
618P43.3Very low43.5Very low120 Ų12090.6 Ų90.678%0.77957%0.566SS**  trans-65.4123.8177.326.6-33000110.1S620P618-S620 PolarHBondContact O-N 3.31Å; P618-S620 VanDerWaalsContact O-N 3.13Å
619I41.1Very low43.4Very low67 Ų6793 Ų9334%0.34459%0.587SS.*  trans-65.3112.7170.6-68.5164.5000107.9Q496 M499 H617Q496-I619 VanDerWaalsContact NE2-CD1 3.33Å; M499-I619 HydrophobicContact CB-CD1 3.85Å; M499-I619 HydrophobicContact CE-CD1 3.88Å; H617-I619 PolarHBondContact O-N 3.32Å
620S35.2Very low42.9Very low93 Ų9391 Ų9165%0.6559%0.591SS**  trans-72.8128169.3-170.90000108.8P618 C622P618-S620 PolarHBondContact O-N 3.31Å; P618-S620 VanDerWaalsContact O-N 3.13Å; S620-C622 PolarHBondContact O-N 2.63Å
621A32.1Very low42.3Very low77 Ų7791.6 Ų91.664%0.63659%0.592SS**SBendtrans-7560.7174.500000111.3A590A590-A621 HydrophobicContact CB-CB 3.73Å
622C27.4Very low42.3Very low108 Ų10885.6 Ų85.673%0.7359%0.588SS**  trans-151.591.1-177.9-88.90000111.8S620S620-C622 PolarHBondContact O-N 2.63Å
623A30.8Very low41.8Very low173 Ų17392.8 Ų92.8100%1.4364%0.639SS**  trans-169.50146.900000109.9

Retrieved 623 of 623 residues in 267.5 ms (Link to these results)

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