A0A5K4FDV2_SCHMA Loading...

Protein pelota homolog

Component of the Pelota-HBS1L complex, a complex that recognizes stalled ribosomes and triggers the No-Go Decay (NGD) pathway. In the Pelota-HBS1L complex, pelo recognizes ribosomes stalled at the 3' end of an mRNA and engages stalled ribosomes by destabilizing mRNA in the mRNA channel.

AlphaFold DB , UniProt , Accession A0A5K4FDV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 388 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M84.1Confident86.7Confident7 Ų796.5 Ų96.53%0.03447%0.47CS..  0133.30-170.6175.2-78.300110.2L18 I19 E21 D25 L28 T29 A128 S129M1-L18 HydrophobicContact CG-CB 4.48Å; M1-L18 HydrophobicContact CG-CD2 4.33Å; M1-L18 HydrophobicContact SD-CB 4.32Å; M1-L18 HydrophobicContact SD-CD1 3.8Å; M1-L18 HydrophobicContact SD-CD2 3.98Å; M1-L18 HydrophobicContact SD-CG 4.24Å; M1-I19 WeakPolarHBondContact CG-O 3.43Å; M1-E21 PolarHBondContact N-OE2 2.93Å; M1-D25 WeakPolarHBondContact CA-OD1 3.18Å; M1-D25 WeakPolarHBondContact CA-OD2 3.35Å; M1-D25 HydrophobicContact CB-CB 4.15Å; M1-D25 VanDerWaalsContact CB-CG 3.47Å; M1-D25 VanDerWaalsContact CB-OD1 3.29Å; M1-D25 WeakPolarHBondContact CB-OD1 3.29Å; M1-D25 HydrophobicContact CE-CB 3.79Å; M1-D25 WeakPolarHBondContact CE-O 3.27Å; M1-D25 PolarHBondContact N-OD1 3.44Å; M1-D25 PolarHBondContact N-OD2 3.48Å; M1-L28 HydrophobicContact CE-CB 4.19Å; M1-T29 WeakPolarHBondContact CE-OG1 3.01Å; M1-A128 HydrophobicContact CB-CB 3.63Å; M1-A128 WeakPolarHBondContact CB-O 3.35Å; M1-A128 HydrophobicContact CG-CB 4.41Å; M1-A128 PolarHBondContact N-O 3.05Å; M1-A128 HydrophobicContact SD-CB 4.02Å; M1-S129 WeakPolarHBondContact O-CA 3.4Å
2K87.3Confident86.4Confident121 Ų12192.4 Ų92.453%0.52646%0.459SS..EExtended strand (participates in β ladder)trans-105.2120.7180-172.1173-177.1172.60112.2L18 I19K2-L18 CarbonylContact O-C 3.55Å; K2-L18 WeakPolarHBondContact O-CA 3.41Å; K2-I19 HydrophobicContact CB-CB 4.44Å; K2-I19 PolarHBondContact N-O 3.49Å; K2-I19 PolarHBondContact O-N 3.34Å
3V90.3Very high86.6Confident57 Ų5787.6 Ų87.635%0.34544%0.44SS..EExtended strand (participates in β ladder)trans-82.7117172-172.70000109.5I16 L18 V125V3-I16 HydrophobicContact CG1-CG2 4.14Å; V3-L18 HydrophobicContact CB-CD2 4.18Å; V3-L18 HydrophobicContact CG1-CD2 4.28Å; V3-L18 HydrophobicContact CG2-CD2 3.71Å; V3-V125 HydrophobicContact CG2-CG1 3.8Å
4I91.8Very high87.1Confident79 Ų7982.2 Ų82.241%0.40542%0.417SS..EExtended strand (participates in β ladder)trans-87.6-38.3178.3-63.5163.7000111.1T17 I19 K109I4-T17 HydrophobicContact CB-CG2 4.07Å; I4-T17 HydrophobicContact CD1-CG2 4.01Å; I4-T17 HydrophobicContact CG2-CG2 4.48Å; I4-T17 PolarHBondContact N-O 3.27Å; I4-I19 HydrophobicContact CD1-CD1 3.55Å; I4-I19 HydrophobicContact CD1-CG1 3.6Å; I4-I19 HydrophobicContact CG1-CD1 4.16Å; I4-I19 HydrophobicContact CG1-CG1 4.39Å; I4-K109 HydrophobicContact CD1-CB 4.41Å; I4-K109 HydrophobicContact CD1-CD 3.76Å; I4-K109 HydrophobicContact CD1-CG 3.71Å
5G89.6Confident87.5Confident28 Ų2882.9 Ų82.929%0.28941%0.414SS..EExtended strand (participates in β ladder)trans-172.3147.7-177.800000111.4T17G5-T17 PolarHBondContact N-O 3.12Å; G5-T17 PolarHBondContact O-N 3.41Å
6R90.9Very high88Confident158 Ų15878.1 Ų78.160%0.59639%0.39SS*.EExtended strand (participates in β ladder)trans-137140.8175.764.2-179.4-177.2-1750.6109.8Y15 I16 E126R6-Y15 WeakPolarHBondContact CA-O 3.41Å; R6-I16 HydrophobicContact CB-CG1 4Å; R6-I16 HydrophobicContact CB-CG2 4.37Å; R6-E126 IonicContact NH1-OE1 2.9Å
7E91.2Very high88.4Confident107 Ų10774.2 Ų74.250%0.537%0.371SS..EExtended strand (participates in β ladder)trans-134.5108.3169.7-172.3176.1175.700107.1G14 Y15E7-G14 CarbonylContact O-C 3.6Å; E7-G14 WeakPolarHBondContact O-CA 3.47Å; E7-Y15 HydrophobicContact CB-CD1 4.02Å; E7-Y15 HydrophobicContact CB-CE1 3.52Å; E7-Y15 HydrophobicContact CB-CE2 4.37Å; E7-Y15 HydrophobicContact CG-CE1 4.32Å; E7-Y15 PolarHBondContact N-O 3.15Å; E7-Y15 PolarHBondContact O-N 3.13Å; E7-Y15 WeakPolarHBondContact OE2-CE1 3.03Å; E7-Y15 PolarHBondContact OE2-OH 3.05Å
8L88.3Confident88.8Confident62 Ų6270.1 Ų70.133%0.32535%0.35SS..EExtended strand (participates in β ladder)trans-117.7125.2-179.5-59.7178.9000108.2I16 W117L8-I16 HydrophobicContact CD2-CG1 4.34Å; L8-W117 HydrophobicContact CD2-CB 4.36Å; L8-W117 HydrophobicContact CD2-CD2 4.39Å; L8-W117 HydrophobicContact CD2-CG 3.77Å
9N86.4Confident89.1Confident96 Ų9668.4 Ų68.451%0.51334%0.342SS..  trans-74.7170.6174.3-65.6-33.5000110.7N11 S12 S13N9-N11 PolarHBondContact O-N 3.21Å; N9-S12 PolarHBondContact O-N 3.16Å; N9-S13 WeakPolarHBondContact CB-O 3.32Å; N9-S13 WeakPolarHBondContact CB-OG 3.38Å; N9-S13 PolarHBondContact N-O 3.08Å; N9-S13 PolarHBondContact ND2-OG 2.79Å; N9-S13 VanDerWaalsContact ND2-OG 3.13Å
10K77.8Confident89.2Confident211 Ų21165 Ų6592%0.91733%0.325SS*.THydrogen-bonded Turntrans-54.7-27.1176-66.4-174.3178.2-177.10114.2S12K10-S12 VanDerWaalsContact C-N 3.26Å; K10-S12 PolarHBondContact O-N 3.18Å
11N76.3Confident89.2Confident135 Ų13566.3 Ų66.372%0.72233%0.33SS*.THydrogen-bonded Turntrans-90.518.4180-61.15.2000112.5N9 S13N9-N11 PolarHBondContact O-N 3.21Å; N11-S13 PolarHBondContact O-N 2.6Å
12S82.4Confident89.1Confident48 Ų4867.9 Ų67.934%0.33634%0.339SS..SBendtrans57.58.7-172.7-56.50000115.1N9 K10 W117N9-S12 PolarHBondContact O-N 3.16Å; K10-S12 VanDerWaalsContact C-N 3.26Å; K10-S12 PolarHBondContact O-N 3.18Å; S12-W117 WeakPolarHBondContact CB-O 3.37Å; S12-W117 WeakPolarHBondContact O-CB 3.26Å; S12-W117 VanDerWaalsContact O-CD1 3.26Å; S12-W117 PolarHBondContact O-N 3.1Å
13S89.5Confident88.9Confident30 Ų3065.5 Ų65.521%0.2133%0.33CS..  trans-78.7141.5172.372.50000110N9 N11 T115N9-S13 WeakPolarHBondContact CB-O 3.32Å; N9-S13 WeakPolarHBondContact CB-OG 3.38Å; N9-S13 PolarHBondContact N-O 3.08Å; N9-S13 PolarHBondContact ND2-OG 2.79Å; N9-S13 VanDerWaalsContact ND2-OG 3.13Å; N11-S13 PolarHBondContact O-N 2.6Å; S13-T115 WeakPolarHBondContact CA-O 3.49Å; S13-T115 WeakPolarHBondContact CB-O 3.25Å
14G93Very high88.5Confident12 Ų1263.4 Ų63.412%0.12432%0.316CS..EExtended strand (participates in β ladder)trans160.3-161.7176.300000113.7E7 T113 K114 W117E7-G14 CarbonylContact O-C 3.6Å; E7-G14 WeakPolarHBondContact O-CA 3.47Å; G14-T113 WeakPolarHBondContact O-CA 3.42Å; G14-K114 PolarHBondContact N-O 3.07Å; G14-K114 VanDerWaalsContact N-O 3.15Å; G14-K114 PolarHBondContact O-N 3.26Å; G14-W117 PolarHBondContact O-NE1 3.32Å
15Y94.1Very high88.4Confident93 Ų9359.8 Ų59.837%0.36530%0.297SS..EExtended strand (participates in β ladder)trans-127.6149.5-179.374.1-98000112.8R6 E7 T111 I112 T113R6-Y15 WeakPolarHBondContact CA-O 3.41Å; E7-Y15 HydrophobicContact CB-CD1 4.02Å; E7-Y15 HydrophobicContact CB-CE1 3.52Å; E7-Y15 HydrophobicContact CB-CE2 4.37Å; E7-Y15 HydrophobicContact CG-CE1 4.32Å; E7-Y15 PolarHBondContact N-O 3.15Å; E7-Y15 PolarHBondContact O-N 3.13Å; E7-Y15 WeakPolarHBondContact OE2-CE1 3.03Å; E7-Y15 PolarHBondContact OE2-OH 3.05Å; Y15-T111 HydrophobicContact CD2-CG2 3.82Å; Y15-T111 HydrophobicContact CG-CG2 4.15Å; Y15-I112 CarbonylContact C-O 3.55Å; Y15-I112 WeakPolarHBondContact CA-O 3.32Å; Y15-I112 WeakPolarHBondContact CB-O 3.43Å; Y15-T113 WeakPolarHBondContact CB-OG1 3.49Å
16I94.7Very high88.4Confident5 Ų558.4 Ų58.43%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-128.7130.8170.3-54.3-175000107.9V3 R6 L8 L18 T111 I112 W117V3-I16 HydrophobicContact CG1-CG2 4.14Å; R6-I16 HydrophobicContact CB-CG1 4Å; R6-I16 HydrophobicContact CB-CG2 4.37Å; L8-I16 HydrophobicContact CD2-CG1 4.34Å; I16-L18 HydrophobicContact CG2-CD1 4.3Å; I16-L18 HydrophobicContact CG2-CD2 3.62Å; I16-L18 HydrophobicContact CG2-CG 3.85Å; I16-T111 WeakPolarHBondContact O-CA 3.33Å; I16-I112 PolarHBondContact N-O 2.95Å; I16-I112 PolarHBondContact O-N 3.17Å; I16-W117 HydrophobicContact CB-CH2 3.92Å; I16-W117 HydrophobicContact CB-CZ2 3.84Å; I16-W117 HydrophobicContact CD1-CD2 3.85Å; I16-W117 HydrophobicContact CD1-CE3 3.7Å; I16-W117 HydrophobicContact CD1-CH2 3.72Å; I16-W117 HydrophobicContact CD1-CZ2 3.85Å; I16-W117 HydrophobicContact CD1-CZ3 3.64Å; I16-W117 HydrophobicContact CG1-CD2 4.26Å; I16-W117 HydrophobicContact CG1-CE3 4.47Å; I16-W117 HydrophobicContact CG1-CH2 3.86Å; I16-W117 HydrophobicContact CG1-CZ2 3.58Å; I16-W117 HydrophobicContact CG1-CZ3 4.3Å
17T95.5Very high88.3Confident12 Ų1251.5 Ų51.57%0.07426%0.258CS..EExtended strand (participates in β ladder)trans-107124.9178-58.90000109.5I4 G5 K109 F110 T111I4-T17 HydrophobicContact CB-CG2 4.07Å; I4-T17 HydrophobicContact CD1-CG2 4.01Å; I4-T17 HydrophobicContact CG2-CG2 4.48Å; I4-T17 PolarHBondContact N-O 3.27Å; G5-T17 PolarHBondContact N-O 3.12Å; G5-T17 PolarHBondContact O-N 3.41Å; T17-K109 HydrophobicContact CG2-CD 4.2Å; T17-K109 HydrophobicContact CG2-CG 3.93Å; T17-F110 CarbonylContact C-O 3.55Å; T17-F110 WeakPolarHBondContact CA-O 3.32Å; T17-T111 WeakPolarHBondContact OG1-CG2 3.35Å; T17-T111 PolarHBondContact OG1-OG1 3.19Å
18L94.8Very high88.1Confident0 Ų047.2 Ų47.20%024%0.238CC..EExtended strand (participates in β ladder)trans-131.5158.2-167-59.9168.5000110.6M1 K2 V3 I16 L32 F110 I112 V125M1-L18 HydrophobicContact CG-CB 4.48Å; M1-L18 HydrophobicContact CG-CD2 4.33Å; M1-L18 HydrophobicContact SD-CB 4.32Å; M1-L18 HydrophobicContact SD-CD1 3.8Å; M1-L18 HydrophobicContact SD-CD2 3.98Å; M1-L18 HydrophobicContact SD-CG 4.24Å; K2-L18 CarbonylContact O-C 3.55Å; K2-L18 WeakPolarHBondContact O-CA 3.41Å; V3-L18 HydrophobicContact CB-CD2 4.18Å; V3-L18 HydrophobicContact CG1-CD2 4.28Å; V3-L18 HydrophobicContact CG2-CD2 3.71Å; I16-L18 HydrophobicContact CG2-CD1 4.3Å; I16-L18 HydrophobicContact CG2-CD2 3.62Å; I16-L18 HydrophobicContact CG2-CG 3.85Å; L18-L32 HydrophobicContact CD1-CD1 4.46Å; L18-F110 HydrophobicContact CB-CD2 4.43Å; L18-F110 HydrophobicContact CB-CE1 3.96Å; L18-F110 HydrophobicContact CB-CE2 3.79Å; L18-F110 HydrophobicContact CB-CZ 3.54Å; L18-F110 HydrophobicContact CD1-CE2 3.87Å; L18-F110 HydrophobicContact CD1-CZ 4.08Å; L18-F110 HydrophobicContact CG-CE2 4.37Å; L18-F110 HydrophobicContact CG-CZ 4.43Å; L18-F110 PolarHBondContact N-O 3.27Å; L18-F110 WeakPolarHBondContact O-CD1 3.18Å; L18-F110 PolarHBondContact O-N 2.9Å; L18-I112 HydrophobicContact CD1-CD1 4.29Å; L18-V125 HydrophobicContact CD2-CG1 4.24Å
19I94.4Very high88.3Confident38 Ų3844.3 Ų44.320%0.19522%0.223CC..EExtended strand (participates in β ladder)trans-125.1128159.9-66.2163.3000107.4M1 K2 I4 E21 K109M1-I19 WeakPolarHBondContact CG-O 3.43Å; K2-I19 HydrophobicContact CB-CB 4.44Å; K2-I19 PolarHBondContact N-O 3.49Å; K2-I19 PolarHBondContact O-N 3.34Å; I4-I19 HydrophobicContact CD1-CD1 3.55Å; I4-I19 HydrophobicContact CD1-CG1 3.6Å; I4-I19 HydrophobicContact CG1-CD1 4.16Å; I4-I19 HydrophobicContact CG1-CG1 4.39Å; I19-E21 HydrophobicContact CG2-CG 4.38Å; I19-K109 HydrophobicContact CG1-CB 4.18Å
20A91.9Very high88.5Confident0 Ų041.8 Ų41.80%021%0.206CC..  trans-85.5114.6170.500000108.7D25 M26 T106 D107 F110A20-D25 HydrophobicContact CB-CB 3.61Å; A20-M26 HydrophobicContact CB-CG 4.17Å; A20-M26 HydrophobicContact CB-SD 3.59Å; A20-M26 VanDerWaalsContact CB-SD 3.59Å; A20-T106 CarbonylContact O-C 3.49Å; A20-T106 WeakPolarHBondContact O-CA 3.15Å; A20-D107 PolarHBondContact O-N 3.04Å; A20-F110 HydrophobicContact CB-CE1 4.09Å
21E88Confident89.1Confident93 Ų9332.4 Ų32.444%0.43517%0.166SC..  trans-90.4-20.5-173.6-64.1171.1137.300111.7M1 I19 D25M1-E21 PolarHBondContact N-OE2 2.93Å; I19-E21 HydrophobicContact CG2-CG 4.38Å; E21-D25 PolarHBondContact N-OD2 3.21Å
22N83.3Confident89.8Confident40 Ų4026.1 Ų26.121%0.21413%0.132CC..SBendtrans-146.1178.6-177.164.131000112.6E24 D25 M26 Q134N22-E24 VanDerWaalsContact C-N 3.3Å; N22-E24 PolarHBondContact O-N 3.05Å; N22-E24 WeakPolarHBondContact OD1-CB 3.44Å; N22-E24 PolarHBondContact OD1-N 2.91Å; N22-E24 VanDerWaalsContact OD1-N 3.1Å; N22-D25 PolarHBondContact O-N 3Å; N22-D25 PolarHBondContact OD1-N 3.31Å; N22-D25 PolarHBondContact OD1-OD1 3.29Å; N22-M26 PolarHBondContact O-N 3.03Å; N22-Q134 PolarHBondContact ND2-NE2 2.93Å; N22-Q134 VanDerWaalsContact ND2-NE2 3.18Å
23E83.4Confident90.3Very high72 Ų7224 Ų2434%0.33612%0.118SC..Hα-helixtrans-63.6-32.9179.8-55.8-174.5172.400112.4M26 W27 S79 R160E23-M26 WeakPolarHBondContact O-CB 3.33Å; E23-M26 PolarHBondContact O-N 3.34Å; E23-W27 PolarHBondContact O-N 3.24Å; E23-S79 WeakPolarHBondContact CB-OG 3.43Å; E23-S79 WeakPolarHBondContact CG-OG 3.42Å; E23-R160 IonicContact OE1-NH1 3.8Å; E23-R160 IonicContact OE1-NH2 2.76Å; E23-R160 PolarHBondContact OE1-NH2 3.1Å; E23-R160 IonicContact OE2-CZ 2.64Å; E23-R160 IonicContact OE2-NH1 3.54Å; E23-R160 IonicContact OE2-NH2 3.7Å; E23-R160 PolarHBondContact OE2-NH2 3.1Å
24E82Confident90.4Very high13 Ų1324.4 Ų24.46%0.06112%0.116CC..Hα-helixtrans-67.1-41.2177.2-58.8-155.4111.500111.6N22 M26 W27 L28 T153 S154 T155N22-E24 VanDerWaalsContact C-N 3.3Å; N22-E24 PolarHBondContact O-N 3.05Å; N22-E24 WeakPolarHBondContact OD1-CB 3.44Å; N22-E24 PolarHBondContact OD1-N 2.91Å; N22-E24 VanDerWaalsContact OD1-N 3.1Å; E24-M26 PolarHBondContact O-N 2.84Å; E24-W27 WeakPolarHBondContact O-CB 3.1Å; E24-W27 PolarHBondContact O-N 2.86Å; E24-W27 VanDerWaalsContact O-N 3.1Å; E24-L28 WeakPolarHBondContact O-CG 3.17Å; E24-L28 PolarHBondContact O-N 2.83Å; E24-T153 HydrophobicContact CG-CG2 4.44Å; E24-T153 WeakPolarHBondContact OE1-CB 3.36Å; E24-T153 PolarHBondContact OE1-OG1 3.31Å; E24-S154 VanDerWaalsContact CD-OG 3.25Å; E24-S154 PolarHBondContact OE1-N 3.24Å; E24-S154 PolarHBondContact OE1-OG 3.28Å; E24-S154 PolarHBondContact OE2-OG 2.99Å; E24-T155 PolarHBondContact OE1-N 3.2Å; E24-T155 PolarHBondContact OE1-OG1 3.02Å
25D88.1Confident90.4Very high2 Ų227.9 Ų27.91%0.01114%0.135CC..Hα-helixtrans-61.8-34.1176.4-66.8-21.4000111.5M1 A20 E21 N22 L28 T29M1-D25 WeakPolarHBondContact CA-OD1 3.18Å; M1-D25 WeakPolarHBondContact CA-OD2 3.35Å; M1-D25 HydrophobicContact CB-CB 4.15Å; M1-D25 VanDerWaalsContact CB-CG 3.47Å; M1-D25 VanDerWaalsContact CB-OD1 3.29Å; M1-D25 WeakPolarHBondContact CB-OD1 3.29Å; M1-D25 HydrophobicContact CE-CB 3.79Å; M1-D25 WeakPolarHBondContact CE-O 3.27Å; M1-D25 PolarHBondContact N-OD1 3.44Å; M1-D25 PolarHBondContact N-OD2 3.48Å; A20-D25 HydrophobicContact CB-CB 3.61Å; E21-D25 PolarHBondContact N-OD2 3.21Å; N22-D25 PolarHBondContact O-N 3Å; N22-D25 PolarHBondContact OD1-N 3.31Å; N22-D25 PolarHBondContact OD1-OD1 3.29Å; D25-L28 PolarHBondContact O-N 3.35Å; D25-T29 WeakPolarHBondContact O-CB 3.19Å; D25-T29 PolarHBondContact O-N 3.14Å; D25-T29 PolarHBondContact O-OG1 3.33Å
26M90.2Very high90.3Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-66-40.7174.6-70.7-59-5800111.5A20 N22 E23 E24 T29 Y30 F74 L81 L104 T106A20-M26 HydrophobicContact CB-CG 4.17Å; A20-M26 HydrophobicContact CB-SD 3.59Å; A20-M26 VanDerWaalsContact CB-SD 3.59Å; N22-M26 PolarHBondContact O-N 3.03Å; E23-M26 WeakPolarHBondContact O-CB 3.33Å; E23-M26 PolarHBondContact O-N 3.34Å; E24-M26 PolarHBondContact O-N 2.84Å; M26-T29 PolarHBondContact O-N 2.95Å; M26-Y30 PolarHBondContact O-N 2.77Å; M26-F74 HydrophobicContact CB-CE2 3.96Å; M26-F74 HydrophobicContact CB-CZ 4.19Å; M26-L81 HydrophobicContact CE-CB 3.65Å; M26-L104 HydrophobicContact CE-CB 4.11Å; M26-L104 HydrophobicContact CE-CD2 4.04Å; M26-L104 HydrophobicContact CE-CG 3.88Å; M26-L104 WeakPolarHBondContact CE-O 3.09Å; M26-L104 HydrophobicContact SD-CD2 4.22Å; M26-L104 HydrophobicContact SD-CG 4.15Å; M26-T106 HydrophobicContact CG-CG2 3.87Å
27W88.3Confident90.3Very high13 Ų1325.3 Ų25.35%0.04914%0.136CC..Hα-helixtrans-64-42.9172.5178-111.9000112.3E23 E24 T29 Y30 N31 F74 T156 D316 R320 S348 L350E23-W27 PolarHBondContact O-N 3.24Å; E24-W27 WeakPolarHBondContact O-CB 3.1Å; E24-W27 PolarHBondContact O-N 2.86Å; E24-W27 VanDerWaalsContact O-N 3.1Å; W27-T29 VanDerWaalsContact C-N 3.31Å; W27-T29 PolarHBondContact O-N 3.42Å; W27-Y30 HydrophobicContact CD2-CD1 4.34Å; W27-Y30 AromaticContact CE3-CD1 3.58Å; W27-Y30 HydrophobicContact CE3-CD1 3.58Å; W27-Y30 HydrophobicContact CE3-CE1 4.18Å; W27-Y30 AromaticContact CH2-CD1 3.88Å; W27-Y30 HydrophobicContact CH2-CD1 3.88Å; W27-Y30 AromaticContact CH2-CE1 3.73Å; W27-Y30 HydrophobicContact CH2-CE1 3.73Å; W27-Y30 AromaticContact CZ3-CD1 3.31Å; W27-Y30 HydrophobicContact CZ3-CD1 3.31Å; W27-Y30 AromaticContact CZ3-CE1 3.43Å; W27-Y30 HydrophobicContact CZ3-CE1 3.43Å; W27-Y30 VanDerWaalsContact CZ3-CE1 3.43Å; W27-Y30 HydrophobicContact CZ3-CG 4.49Å; W27-Y30 WeakPolarHBondContact O-CB 3.43Å; W27-Y30 PolarHBondContact O-N 3.01Å; W27-N31 PolarHBondContact NE1-ND2 3.37Å; W27-N31 PolarHBondContact O-N 3.44Å; W27-F74 HydrophobicContact CB-CZ 4.41Å; W27-F74 AromaticContact CE3-CD1 3.69Å; W27-F74 HydrophobicContact CE3-CD1 3.69Å; W27-F74 AromaticContact CE3-CE1 3.55Å; W27-F74 HydrophobicContact CE3-CE1 3.55Å; W27-F74 HydrophobicContact CE3-CZ 4.3Å; W27-F74 AromaticContact CZ3-CD1 3.86Å; W27-F74 HydrophobicContact CZ3-CD1 3.86Å; W27-F74 HydrophobicContact CZ3-CE1 4.16Å; W27-T156 HydrophobicContact CG-CG2 4.19Å; W27-D316 WeakPolarHBondContact CZ2-OD2 3.47Å; W27-D316 PolarHBondContact NE1-OD2 2.69Å; W27-R320 VanDerWaalsContact CZ2-NH2 3.33Å; W27-S348 PolarHBondContact NE1-OG 2.9Å; W27-L350 HydrophobicContact CD2-CD1 3.61Å; W27-L350 HydrophobicContact CD2-CG 4.4Å; W27-L350 HydrophobicContact CE3-CD1 3.41Å; W27-L350 VanDerWaalsContact CE3-CD1 3.41Å; W27-L350 HydrophobicContact CE3-CG 4.37Å; W27-L350 HydrophobicContact CG-CD1 4.46Å; W27-L350 HydrophobicContact CH2-CD1 3.39Å; W27-L350 HydrophobicContact CH2-CD2 4.12Å; W27-L350 HydrophobicContact CH2-CG 3.43Å; W27-L350 VanDerWaalsContact CH2-CG 3.43Å; W27-L350 HydrophobicContact CZ2-CB 4.33Å; W27-L350 HydrophobicContact CZ2-CD1 3.61Å; W27-L350 HydrophobicContact CZ2-CG 3.49Å; W27-L350 VanDerWaalsContact CZ2-CG 3.49Å; W27-L350 HydrophobicContact CZ3-CD1 3.3Å; W27-L350 HydrophobicContact CZ3-CG 3.91Å
28L88.2Confident90.3Very high16 Ų1629.2 Ų29.28%0.08415%0.152CC..Hα-helixtrans-63-40.8175.8-66.8170000111M1 E24 D25 Y30 N31 L32 L124 A128M1-L28 HydrophobicContact CE-CB 4.19Å; E24-L28 WeakPolarHBondContact O-CG 3.17Å; E24-L28 PolarHBondContact O-N 2.83Å; D25-L28 PolarHBondContact O-N 3.35Å; L28-Y30 VanDerWaalsContact C-N 3.3Å; L28-Y30 PolarHBondContact O-N 3.45Å; L28-N31 PolarHBondContact O-N 3.36Å; L28-N31 VanDerWaalsContact O-N 3.12Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.12Å; L28-L32 PolarHBondContact O-N 3.41Å; L28-L124 HydrophobicContact CD2-CD2 4.46Å; L28-A128 HydrophobicContact CD1-CB 3.47Å; L28-A128 VanDerWaalsContact CD1-CB 3.47Å
29T91.8Very high90.4Very high1 Ų129.3 Ų29.31%0.00615%0.152CC..Hα-helixtrans-61-41.2175.2-54.10000111.4M1 D25 M26 W27 N31 L32 V33 L81 L104 F110 I112M1-T29 WeakPolarHBondContact CE-OG1 3.01Å; D25-T29 WeakPolarHBondContact O-CB 3.19Å; D25-T29 PolarHBondContact O-N 3.14Å; D25-T29 PolarHBondContact O-OG1 3.33Å; M26-T29 PolarHBondContact O-N 2.95Å; W27-T29 VanDerWaalsContact C-N 3.31Å; W27-T29 PolarHBondContact O-N 3.42Å; T29-N31 VanDerWaalsContact C-N 3.32Å; T29-N31 PolarHBondContact O-N 3.37Å; T29-L32 PolarHBondContact O-N 2.74Å; T29-L32 VanDerWaalsContact O-N 3.16Å; T29-V33 HydrophobicContact CG2-CG2 4.21Å; T29-V33 WeakPolarHBondContact O-CG2 3.42Å; T29-V33 PolarHBondContact O-N 3.4Å; T29-L81 HydrophobicContact CG2-CD2 3.76Å; T29-L104 HydrophobicContact CG2-CD2 3.73Å; T29-F110 HydrophobicContact CG2-CD2 4.4Å; T29-F110 HydrophobicContact CG2-CE2 3.51Å; T29-F110 HydrophobicContact CG2-CZ 3.59Å; T29-F110 WeakPolarHBondContact OG1-CZ 3.5Å; T29-I112 HydrophobicContact CG2-CD1 4.43Å
30Y91.7Very high90.5Very high44 Ų4433.8 Ų33.817%0.17317%0.167CC..Hα-helixtrans-60.5-39.6174.2169.7-118.6000112.8M26 W27 L28 L32 I72 F74 L81 R320M26-Y30 PolarHBondContact O-N 2.77Å; W27-Y30 HydrophobicContact CD2-CD1 4.34Å; W27-Y30 AromaticContact CE3-CD1 3.58Å; W27-Y30 HydrophobicContact CE3-CD1 3.58Å; W27-Y30 HydrophobicContact CE3-CE1 4.18Å; W27-Y30 AromaticContact CH2-CD1 3.88Å; W27-Y30 HydrophobicContact CH2-CD1 3.88Å; W27-Y30 AromaticContact CH2-CE1 3.73Å; W27-Y30 HydrophobicContact CH2-CE1 3.73Å; W27-Y30 AromaticContact CZ3-CD1 3.31Å; W27-Y30 HydrophobicContact CZ3-CD1 3.31Å; W27-Y30 AromaticContact CZ3-CE1 3.43Å; W27-Y30 HydrophobicContact CZ3-CE1 3.43Å; W27-Y30 VanDerWaalsContact CZ3-CE1 3.43Å; W27-Y30 HydrophobicContact CZ3-CG 4.49Å; W27-Y30 WeakPolarHBondContact O-CB 3.43Å; W27-Y30 PolarHBondContact O-N 3.01Å; L28-Y30 VanDerWaalsContact C-N 3.3Å; L28-Y30 PolarHBondContact O-N 3.45Å; Y30-L32 VanDerWaalsContact C-N 3.34Å; Y30-I72 HydrophobicContact CD2-CG2 3.53Å; Y30-I72 HydrophobicContact CE2-CG2 3.57Å; Y30-F74 HydrophobicContact CD1-CB 4.21Å; Y30-F74 HydrophobicContact CD1-CG 4.31Å; Y30-F74 HydrophobicContact CD2-CB 3.76Å; Y30-F74 HydrophobicContact CD2-CG 4.4Å; Y30-F74 HydrophobicContact CE1-CB 4.31Å; Y30-F74 HydrophobicContact CE2-CB 3.97Å; Y30-F74 HydrophobicContact CG-CB 3.88Å; Y30-F74 HydrophobicContact CG-CD2 4.32Å; Y30-F74 HydrophobicContact CG-CG 4.05Å; Y30-L81 HydrophobicContact CD2-CD1 3.71Å; Y30-L81 HydrophobicContact CG-CD1 4.29Å; Y30-R320 PolarHBondContact OH-NH1 3.42Å
31N89.5Confident90.6Very high14 Ų1434 Ų348%0.07517%0.168CC..Hα-helixtrans-70.7-28.7174.9-74.1-23000113.1W27 L28 T29 D316 R320W27-N31 PolarHBondContact NE1-ND2 3.37Å; W27-N31 PolarHBondContact O-N 3.44Å; L28-N31 PolarHBondContact O-N 3.36Å; L28-N31 VanDerWaalsContact O-N 3.12Å; T29-N31 VanDerWaalsContact C-N 3.32Å; T29-N31 PolarHBondContact O-N 3.37Å; N31-D316 PolarHBondContact ND2-OD2 3.32Å; N31-R320 PolarHBondContact OD1-NE 3.1Å; N31-R320 PolarHBondContact OD1-NH2 3.45Å
32L91.3Very high90.9Very high2 Ų231.1 Ų31.11%0.0116%0.158CC..Hα-helixtrans-77.2-41.7179.4-72.3169.8000112.6L18 L28 T29 Y30 I112 K114 A121 L124 V125L18-L32 HydrophobicContact CD1-CD1 4.46Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.12Å; L28-L32 PolarHBondContact O-N 3.41Å; T29-L32 PolarHBondContact O-N 2.74Å; T29-L32 VanDerWaalsContact O-N 3.16Å; Y30-L32 VanDerWaalsContact C-N 3.34Å; L32-I112 HydrophobicContact CB-CD1 4.29Å; L32-K114 WeakPolarHBondContact O-CE 3.22Å; L32-K114 PolarHBondContact O-NZ 2.57Å; L32-A121 HydrophobicContact CD2-CB 3.95Å; L32-A121 WeakPolarHBondContact CD2-O 3.4Å; L32-L124 HydrophobicContact CD2-CB 4.01Å; L32-L124 HydrophobicContact CD2-CD1 4.4Å; L32-V125 HydrophobicContact CD1-CG2 3.64Å; L32-V125 HydrophobicContact CD2-CG2 3.9Å; L32-V125 HydrophobicContact CG-CG2 4.45Å
33V92.6Very high91.4Very high5 Ų530.1 Ų30.13%0.0315%0.154CC..  trans-76.8134.5-173.7-179.10000111.4T29 V69 I72 L83 I112T29-V33 HydrophobicContact CG2-CG2 4.21Å; T29-V33 WeakPolarHBondContact O-CG2 3.42Å; T29-V33 PolarHBondContact O-N 3.4Å; V33-V69 HydrophobicContact CG1-CG1 4.27Å; V33-V69 HydrophobicContact CG1-CG2 4.05Å; V33-I72 HydrophobicContact CB-CD1 4.27Å; V33-I72 HydrophobicContact CG1-CD1 3.84Å; V33-I72 VanDerWaalsContact O-CD1 3.24Å; V33-I72 WeakPolarHBondContact O-CD1 3.48Å; V33-L83 HydrophobicContact CG1-CD1 4.46Å; V33-L83 HydrophobicContact CG1-CD2 3.9Å; V33-I112 HydrophobicContact CG2-CD1 3.66Å; V33-I112 HydrophobicContact CG2-CG1 4.16Å
34Q91.2Very high91.9Very high37 Ų3729.8 Ų29.817%0.17316%0.156CC..  trans-122.9159.9177.1-62.2-175.517.800111.6G36 D37 R327Q34-G36 PolarHBondContact O-N 3.33Å; Q34-D37 WeakPolarHBondContact CA-OD2 3.25Å; Q34-D37 WeakPolarHBondContact CB-OD2 3.15Å; Q34-D37 PolarHBondContact N-OD2 2.93Å; Q34-D37 WeakPolarHBondContact O-CB 3.37Å; Q34-D37 PolarHBondContact O-N 3.34Å; Q34-R327 VanDerWaalsContact CD-NH1 3.32Å
35V92.5Very high92.3Very high86 Ų8632 Ų3252%0.52116%0.164SC..THydrogen-bonded Turntrans-63.7130.5171.4176.60000109.1V69V35-V69 CarbonylContact C-O 3.56Å; V35-V69 WeakPolarHBondContact CA-O 3.49Å
36G92.7Very high92.5Very high35 Ų3538.9 Ų38.936%0.36119%0.194SC..THydrogen-bonded Turntrans95.1-15.2-173.700000114.3Q34 V69Q34-G36 PolarHBondContact O-N 3.33Å; G36-V69 PolarHBondContact N-O 3.44Å
37D94.5Very high92.4Very high9 Ų939.8 Ų39.85%0.04820%0.2CC..  trans-68.7153172.7-66.9-22.8000110.7Q34 E68 V69 K114Q34-D37 WeakPolarHBondContact CA-OD2 3.25Å; Q34-D37 WeakPolarHBondContact CB-OD2 3.15Å; Q34-D37 PolarHBondContact N-OD2 2.93Å; Q34-D37 WeakPolarHBondContact O-CB 3.37Å; Q34-D37 PolarHBondContact O-N 3.34Å; D37-E68 WeakPolarHBondContact O-CA 3.34Å; D37-V69 WeakPolarHBondContact O-CG2 3.41Å; D37-V69 PolarHBondContact O-N 3.48Å; D37-K114 IonicContact OD1-NZ 3.78Å; D37-K114 WeakPolarHBondContact OD2-CE 3.47Å; D37-K114 IonicContact OD2-NZ 2.7Å; D37-K114 PolarHBondContact OD2-NZ 3.26Å
38K96.4Very high92.4Very high94 Ų9446.1 Ų46.141%0.40923%0.23SC..EExtended strand (participates in β ladder)trans-97.9129.4172.3-61.4172.7-176.8176.60109.3T66 I67 V88 T113K38-T66 HydrophobicContact CB-CG2 4.33Å; K38-I67 CarbonylContact C-O 3.55Å; K38-I67 VanDerWaalsContact CA-O 3.25Å; K38-I67 WeakPolarHBondContact CA-O 3.46Å; K38-V88 HydrophobicContact CD-CG2 4.07Å; K38-V88 HydrophobicContact CG-CG2 4.19Å; K38-T113 PolarHBondContact N-O 3.17Å; K38-T113 PolarHBondContact O-N 3.15Å
39M96.5Very high92.1Very high2 Ų250.1 Ų50.11%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-120.5129.6177.3-154.6-68.7-93.500110.3C41 T66 I67 V69 L83 L102 F110 T111M39-C41 HydrophobicContact CE-CB 3.42Å; M39-C41 VanDerWaalsContact CE-CB 3.42Å; M39-C41 HydrophobicContact SD-CB 3.72Å; M39-T66 CarbonylContact O-C 3.6Å; M39-T66 VanDerWaalsContact O-CA 3.32Å; M39-T66 WeakPolarHBondContact O-CA 3.31Å; M39-I67 PolarHBondContact N-O 2.98Å; M39-I67 PolarHBondContact O-N 3.28Å; M39-V69 HydrophobicContact CB-CG2 4.13Å; M39-L83 HydrophobicContact CB-CD1 4.22Å; M39-L83 HydrophobicContact CE-CD1 3.59Å; M39-L83 HydrophobicContact CG-CD1 3.82Å; M39-L102 HydrophobicContact CE-CB 3.94Å; M39-L102 HydrophobicContact CE-CD1 3.46Å; M39-L102 VanDerWaalsContact CE-CD1 3.46Å; M39-L102 HydrophobicContact CE-CG 4.33Å; M39-L102 HydrophobicContact SD-CD1 4.17Å; M39-F110 HydrophobicContact SD-CB 3.9Å; M39-T111 WeakPolarHBondContact CA-O 3.06Å
40R95.9Very high91.8Very high132 Ų13257.3 Ų57.350%0.49828%0.284SS..EExtended strand (participates in β ladder)trans-114120.6174.3-175.5-178-177.5-155.74111.7L65 T66 F110 T111R40-L65 VanDerWaalsContact CA-O 3.28Å; R40-L65 WeakPolarHBondContact CA-O 3.46Å; R40-T66 HydrophobicContact CB-CG2 4.25Å; R40-T66 WeakPolarHBondContact CG-OG1 3.46Å; R40-F110 WeakPolarHBondContact O-CA 3.21Å; R40-T111 PolarHBondContact N-O 3.33Å; R40-T111 PolarHBondContact O-N 3.06Å
41C94.6Very high91.3Very high4 Ų457.2 Ų57.23%0.02729%0.291CS..EExtended strand (participates in β ladder)trans-147.9164.3175.8-172.40000111.4M39 N64 L65 L102 F110M39-C41 HydrophobicContact CE-CB 3.42Å; M39-C41 VanDerWaalsContact CE-CB 3.42Å; M39-C41 HydrophobicContact SD-CB 3.72Å; C41-N64 WeakPolarHBondContact O-CA 3.48Å; C41-L65 PolarHBondContact N-O 3.11Å; C41-L65 PolarHBondContact O-N 3.02Å; C41-L65 VanDerWaalsContact O-N 3.07Å; C41-L102 HydrophobicContact CB-CD1 4.27Å; C41-F110 HydrophobicContact CB-CB 4.22Å
42S94Very high90.8Very high32 Ų3262.2 Ų62.222%0.22433%0.333CS..EExtended strand (participates in β ladder)trans-71.4141.2169-149.80000110.9R62 N64S42-R62 WeakPolarHBondContact OG-CG 3.44Å; S42-N64 VanDerWaalsContact CA-OD1 3.22Å; S42-N64 WeakPolarHBondContact CA-OD1 3.49Å; S42-N64 VanDerWaalsContact CB-OD1 3.31Å; S42-N64 WeakPolarHBondContact CB-OD1 3.08Å; S42-N64 PolarHBondContact OG-OD1 3.06Å; S42-N64 VanDerWaalsContact OG-OD1 3.13Å
43T94.3Very high90.5Very high20 Ų2068 Ų6812%0.12337%0.369CS..EExtended strand (participates in β ladder)trans-147.9158.2175.9-176.50000110.5R62 T63 L65 H100 L102T43-R62 CarbonylContact O-C 3.52Å; T43-R62 WeakPolarHBondContact O-CA 3.28Å; T43-T63 HydrophobicContact CG2-CG2 4.34Å; T43-T63 PolarHBondContact N-O 3.14Å; T43-T63 PolarHBondContact O-N 3.47Å; T43-T63 VanDerWaalsContact O-O 3.1Å; T43-L65 HydrophobicContact CG2-CB 4.21Å; T43-L65 HydrophobicContact CG2-CD1 3.54Å; T43-L65 HydrophobicContact CG2-CG 3.61Å; T43-H100 WeakPolarHBondContact CG2-NE2 3.41Å; T43-H100 PolarHBondContact OG1-NE2 3.02Å; T43-L102 HydrophobicContact CG2-CD2 3.79Å
44V92.9Very high90Very high65 Ų6569.9 Ų69.939%0.39439%0.39SS..EExtended strand (participates in β ladder)trans-96.4135171-177.20000109.1Q60V44-Q60 HydrophobicContact CG1-CB 4Å; V44-Q60 HydrophobicContact CG1-CG 4.46Å
45R90.9Very high89.6Confident59 Ų5970.6 Ų70.622%0.22340%0.399CS..EExtended strand (participates in β ladder)trans-129138.7175.4-173.1172.5179.9121.2-9.5110.7Q60 V61 F93 V94R45-Q60 WeakPolarHBondContact O-CA 3.49Å; R45-V61 PolarHBondContact N-O 3.38Å; R45-V61 PolarHBondContact O-N 3.46Å; R45-F93 PolarHBondContact NE-O 3.45Å; R45-V94 VanDerWaalsContact CZ-CG2 3.47Å; R45-V94 VanDerWaalsContact NH1-CG2 3.32Å
46K92.2Very high89.3Confident147 Ų14770.8 Ų70.864%0.63940%0.4SS*.EExtended strand (participates in β ladder)trans-79.9119167.9-69178.5-176.9179.10108.5T58 Q60K46-T58 HydrophobicContact CB-CG2 4.1Å; K46-T58 HydrophobicContact CG-CG2 4.45Å; K46-Q60 HydrophobicContact CG-CG 4.01Å
47V89.1Confident89Confident19 Ų1975.6 Ų75.612%0.11541%0.413CS..EExtended strand (participates in β ladder)trans-110.7124.3177.1-174.20000107.4N49 T58 K59 V61 F93V47-N49 WeakPolarHBondContact CG1-OD1 3.32Å; V47-T58 WeakPolarHBondContact O-CA 3.48Å; V47-K59 PolarHBondContact N-O 3.09Å; V47-K59 PolarHBondContact O-N 2.88Å; V47-V61 HydrophobicContact CG2-CB 4.34Å; V47-V61 HydrophobicContact CG2-CG2 4.11Å; V47-F93 HydrophobicContact CG1-CD1 4.26Å; V47-F93 HydrophobicContact CG2-CB 3.86Å; V47-F93 HydrophobicContact CG2-CD1 3.91Å; V47-F93 HydrophobicContact CG2-CG 4.04Å
48Q87.8Confident88.7Confident146 Ų14679 Ų7968%0.68243%0.434SS*.EExtended strand (participates in β ladder)trans-95.1120.9173.6-71.4179.7-20.600108.1T58Q48-T58 HydrophobicContact CG-CG2 4.3Å
49N82.4Confident88.4Confident99 Ų9981.1 Ų81.153%0.52944%0.443SS..EExtended strand (participates in β ladder)trans-112.3127.7174.3-69.1-17.1000108.4V47 Q57V47-N49 WeakPolarHBondContact CG1-OD1 3.32Å; N49-Q57 PolarHBondContact N-O 3.38Å; N49-Q57 PolarHBondContact O-N 3.1Å
50E85.1Confident88.2Confident152 Ų15287.2 Ų87.271%0.7147%0.472SS*.EExtended strand (participates in β ladder)trans-95.8119.3171.9-164168.9-170.200108.5V56E50-V56 HydrophobicContact CG-CG2 4.28Å
51S80.4Confident88.1Confident43 Ų4382.3 Ų82.330%0.30146%0.456SS..  trans-73.6160.2177.358.50000111.1T53 G54 S55S51-T53 PolarHBondContact O-N 3.5Å; S51-T53 PolarHBondContact OG-OG1 3.03Å; S51-G54 PolarHBondContact O-N 3.36Å; S51-S55 PolarHBondContact N-O 2.79Å; S51-S55 WeakPolarHBondContact OG-CA 3Å; S51-S55 PolarHBondContact OG-N 3.25Å; S51-S55 PolarHBondContact OG-O 3.06Å; S51-S55 PolarHBondContact OG-OG 3.33Å
52A80.6Confident88Confident118 Ų11890 Ų9098%0.97549%0.485SS*.THydrogen-bonded Turntrans-59.2-17.717500000113.6G54A52-G54 VanDerWaalsContact C-N 3.35Å
53T83.6Confident88Confident124 Ų12489.3 Ų89.376%0.76148%0.479SS*.THydrogen-bonded Turntrans-88.63.6175.154.20000113.5S51 S55S51-T53 PolarHBondContact O-N 3.5Å; S51-T53 PolarHBondContact OG-OG1 3.03Å; T53-S55 VanDerWaalsContact C-N 3.28Å; T53-S55 PolarHBondContact O-N 3.03Å
54G82.1Confident88Confident45 Ų4592.2 Ų92.246%0.46449%0.494SS..SBendtrans78.63.3-178.200000114.7S51 A52S51-G54 PolarHBondContact O-N 3.36Å; A52-G54 VanDerWaalsContact C-N 3.35Å
55S83.1Confident88.1Confident52 Ų5289.1 Ų89.136%0.36448%0.475SS..  trans-78.4128.9174.275.50000110.7S51 T53S51-S55 PolarHBondContact N-O 2.79Å; S51-S55 WeakPolarHBondContact OG-CA 3Å; S51-S55 PolarHBondContact OG-N 3.25Å; S51-S55 PolarHBondContact OG-O 3.06Å; S51-S55 PolarHBondContact OG-OG 3.33Å; T53-S55 VanDerWaalsContact C-N 3.28Å; T53-S55 PolarHBondContact O-N 3.03Å
56V86.6Confident88.4Confident89 Ų8987.2 Ų87.254%0.53947%0.47SS..EExtended strand (participates in β ladder)trans-93.8119.1178.7-178.40000109.2E50E50-V56 HydrophobicContact CG-CG2 4.28Å
57Q85.5Confident88.6Confident137 Ų13780.2 Ų80.264%0.6444%0.44SS*.EExtended strand (participates in β ladder)trans-113131.2173.9-66.5-173.38.700110.2N49N49-Q57 PolarHBondContact N-O 3.38Å; N49-Q57 PolarHBondContact O-N 3.1Å
58T88.4Confident89Confident80 Ų8083.3 Ų83.349%0.49145%0.453SS..EExtended strand (participates in β ladder)trans-101.2119.9173.8-55.80000109.4K46 V47 Q48K46-T58 HydrophobicContact CB-CG2 4.1Å; K46-T58 HydrophobicContact CG-CG2 4.45Å; V47-T58 WeakPolarHBondContact O-CA 3.48Å; Q48-T58 HydrophobicContact CG-CG2 4.3Å
59K90.7Very high89.4Confident139 Ų13976.4 Ų76.460%0.60442%0.421SS*.EExtended strand (participates in β ladder)trans-115.9139175.9-173.3175.6179.3179.30110.3V47 V61V47-K59 PolarHBondContact N-O 3.09Å; V47-K59 PolarHBondContact O-N 2.88Å; K59-V61 HydrophobicContact CD-CG2 4.36Å; K59-V61 HydrophobicContact CG-CG2 4.19Å
60Q92.4Very high90Very high129 Ų12975.5 Ų75.560%0.60341%0.413SS*.EExtended strand (participates in β ladder)trans-86.6127.2168.7-67.9-172.39.700109.6V44 R45 K46V44-Q60 HydrophobicContact CG1-CB 4Å; V44-Q60 HydrophobicContact CG1-CG 4.46Å; R45-Q60 WeakPolarHBondContact O-CA 3.49Å; K46-Q60 HydrophobicContact CG-CG 4.01Å
61V92.9Very high90.5Very high29 Ų2973.1 Ų73.118%0.17640%0.401CS..EExtended strand (participates in β ladder)trans-126132.8-179.1-174.80000109.1R45 V47 K59 F93R45-V61 PolarHBondContact N-O 3.38Å; R45-V61 PolarHBondContact O-N 3.46Å; V47-V61 HydrophobicContact CG2-CB 4.34Å; V47-V61 HydrophobicContact CG2-CG2 4.11Å; K59-V61 HydrophobicContact CD-CG2 4.36Å; K59-V61 HydrophobicContact CG-CG2 4.19Å; V61-F93 HydrophobicContact CG1-CD2 3.97Å; V61-F93 HydrophobicContact CG1-CE1 4.38Å; V61-F93 HydrophobicContact CG1-CE2 3.53Å; V61-F93 HydrophobicContact CG1-CZ 3.77Å
62R93.6Very high91.1Very high166 Ų16672.7 Ų72.763%0.62640%0.395SS*.EExtended strand (participates in β ladder)trans-85.4127.1171-175.9170.1-78.5-145.6-6.8109S42 T43S42-R62 WeakPolarHBondContact OG-CG 3.44Å; T43-R62 CarbonylContact O-C 3.52Å; T43-R62 WeakPolarHBondContact O-CA 3.28Å
63T93.4Very high91.7Very high17 Ų1770.2 Ų70.210%0.10437%0.365CS..EExtended strand (participates in β ladder)trans-143.6157-178.2-175.10000109.8T43 L65 N91 F93T43-T63 HydrophobicContact CG2-CG2 4.34Å; T43-T63 PolarHBondContact N-O 3.14Å; T43-T63 PolarHBondContact O-N 3.47Å; T43-T63 VanDerWaalsContact O-O 3.1Å; T63-L65 HydrophobicContact CG2-CD2 3.82Å; T63-L65 HydrophobicContact CG2-CG 4.01Å; T63-N91 PolarHBondContact OG1-ND2 2.96Å; T63-N91 PolarHBondContact OG1-OD1 3.44Å; T63-F93 HydrophobicContact CG2-CD2 4.47Å
64N94.2Very high92.1Very high81 Ų8166.1 Ų66.143%0.43334%0.337SS..EExtended strand (participates in β ladder)trans-95.8118.1173.5-67.2-22.3000108.6C41 S42 N91C41-N64 WeakPolarHBondContact O-CA 3.48Å; S42-N64 VanDerWaalsContact CA-OD1 3.22Å; S42-N64 WeakPolarHBondContact CA-OD1 3.49Å; S42-N64 VanDerWaalsContact CB-OD1 3.31Å; S42-N64 WeakPolarHBondContact CB-OD1 3.08Å; S42-N64 PolarHBondContact OG-OD1 3.06Å; S42-N64 VanDerWaalsContact OG-OD1 3.13Å; N64-N91 PolarHBondContact O-ND2 3.48Å
65L95.3Very high92.4Very high0 Ų067.3 Ų67.30%033%0.332CS..EExtended strand (participates in β ladder)trans-107.8145.1177.3-59.3-175.9000110.1R40 C41 T43 T63 N91 V94 H100 L102R40-L65 VanDerWaalsContact CA-O 3.28Å; R40-L65 WeakPolarHBondContact CA-O 3.46Å; C41-L65 PolarHBondContact N-O 3.11Å; C41-L65 PolarHBondContact O-N 3.02Å; C41-L65 VanDerWaalsContact O-N 3.07Å; T43-L65 HydrophobicContact CG2-CB 4.21Å; T43-L65 HydrophobicContact CG2-CD1 3.54Å; T43-L65 HydrophobicContact CG2-CG 3.61Å; T63-L65 HydrophobicContact CG2-CD2 3.82Å; T63-L65 HydrophobicContact CG2-CG 4.01Å; L65-N91 HydrophobicContact CD2-CB 3.96Å; L65-N91 WeakPolarHBondContact CD2-ND2 3.47Å; L65-V94 HydrophobicContact CD1-CG2 3.8Å; L65-V94 HydrophobicContact CD2-CB 3.9Å; L65-V94 HydrophobicContact CD2-CG2 3.45Å; L65-V94 VanDerWaalsContact CD2-CG2 3.45Å; L65-V94 HydrophobicContact CG-CG2 4.28Å; L65-H100 HydrophobicContact CD1-CB 4.1Å; L65-L102 HydrophobicContact CB-CD2 4.36Å
66T96.8Very high92.3Very high20 Ų2067.6 Ų67.612%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-112110.7170.3-51.30000107.2K38 M39 R40 N87 V88 V89K38-T66 HydrophobicContact CB-CG2 4.33Å; M39-T66 CarbonylContact O-C 3.6Å; M39-T66 VanDerWaalsContact O-CA 3.32Å; M39-T66 WeakPolarHBondContact O-CA 3.31Å; R40-T66 HydrophobicContact CB-CG2 4.25Å; R40-T66 WeakPolarHBondContact CG-OG1 3.46Å; T66-N87 WeakPolarHBondContact O-CA 3.25Å; T66-N87 PolarHBondContact O-OD1 2.66Å; T66-N87 VanDerWaalsContact O-OD1 3.04Å; T66-V88 HydrophobicContact CG2-CG2 3.91Å; T66-V88 WeakPolarHBondContact O-CG2 3.3Å; T66-V88 PolarHBondContact O-N 3.35Å; T66-V89 HydrophobicContact CG2-CG2 4.01Å
67I97Very high92Very high0 Ų071 Ų710%034%0.34CS..EExtended strand (participates in β ladder)trans-107.1148.517967.9172.8000110.6K38 M39 L83 R86 H100 L102K38-I67 CarbonylContact C-O 3.55Å; K38-I67 VanDerWaalsContact CA-O 3.25Å; K38-I67 WeakPolarHBondContact CA-O 3.46Å; M39-I67 PolarHBondContact N-O 2.98Å; M39-I67 PolarHBondContact O-N 3.28Å; I67-L83 HydrophobicContact CD1-CB 4.12Å; I67-L83 WeakPolarHBondContact CD1-O 3.41Å; I67-R86 CarbonylContact C-O 3.52Å; I67-R86 WeakPolarHBondContact CA-O 3.41Å; I67-H100 HydrophobicContact CG2-CB 4.38Å; I67-L102 HydrophobicContact CD1-CB 4.22Å; I67-L102 HydrophobicContact CD1-CD1 3.66Å; I67-L102 HydrophobicContact CD1-CG 3.74Å; I67-L102 HydrophobicContact CG1-CD1 3.61Å; I67-L102 HydrophobicContact CG1-CG 4.19Å; I67-L102 HydrophobicContact CG2-CD1 4.28Å; I67-L102 HydrophobicContact CG2-CG 4.41Å
68E97.3Very high91.9Very high84 Ų8466.5 Ų66.539%0.39333%0.33SS..EExtended strand (participates in β ladder)trans-87.9121.3160.8180173.6-165.400108.7D37 E70 G85 R86 V88D37-E68 WeakPolarHBondContact O-CA 3.34Å; E68-E70 PolarHBondContact O-N 3.45Å; E68-G85 CarbonylContact O-C 3.57Å; E68-G85 WeakPolarHBondContact O-CA 3.36Å; E68-R86 PolarHBondContact N-O 2.97Å; E68-R86 PolarHBondContact O-N 3.01Å; E68-V88 HydrophobicContact CB-CG1 3.61Å
69V96.5Very high91.7Very high1 Ų163.1 Ų63.11%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-73.5121.1-169.8177.30000110.3V33 V35 G36 D37 M39 I72 L83V33-V69 HydrophobicContact CG1-CG1 4.27Å; V33-V69 HydrophobicContact CG1-CG2 4.05Å; V35-V69 CarbonylContact C-O 3.56Å; V35-V69 WeakPolarHBondContact CA-O 3.49Å; G36-V69 PolarHBondContact N-O 3.44Å; D37-V69 WeakPolarHBondContact O-CG2 3.41Å; D37-V69 PolarHBondContact O-N 3.48Å; M39-V69 HydrophobicContact CB-CG2 4.13Å; V69-I72 HydrophobicContact CG1-CD1 3.93Å; V69-I72 HydrophobicContact CG1-CG1 3.46Å; V69-I72 VanDerWaalsContact CG1-CG1 3.46Å; V69-L83 HydrophobicContact CG1-CD2 4.29Å
70E95.4Very high91.8Very high79 Ų7957.7 Ų57.737%0.36929%0.288SS..EExtended strand (participates in β ladder)trans-105.6-32.4174.6-70.5-172.8-169.100112.4E68 K84 R86 Y99E68-E70 PolarHBondContact O-N 3.45Å; E70-K84 PolarHBondContact N-O 2.98Å; E70-R86 VanDerWaalsContact OE1-CD 3.29Å; E70-R86 WeakPolarHBondContact OE1-CD 3.45Å; E70-R86 WeakPolarHBondContact OE1-CG 3.2Å; E70-R86 IonicContact OE1-CZ 3.86Å; E70-R86 IonicContact OE1-NE 2.83Å; E70-R86 PolarHBondContact OE1-NE 2.79Å; E70-R86 IonicContact OE1-NH2 3.91Å; E70-Y99 PolarHBondContact OE1-OH 3Å; E70-Y99 VanDerWaalsContact OE1-OH 3.11Å; E70-Y99 WeakPolarHBondContact OE2-CE1 3.49Å; E70-Y99 PolarHBondContact OE2-OH 3.32Å
71K94.3Very high91.9Very high103 Ų10351.6 Ų51.645%0.44826%0.259SS..EExtended strand (participates in β ladder)trans-142.3140.8179.2-168.7-172.7-175.8-130.40110.8D73 K84K71-D73 VanDerWaalsContact CE-OD1 3.29Å; K71-D73 WeakPolarHBondContact CE-OD1 3.41Å; K71-D73 WeakPolarHBondContact CE-OD2 3.38Å; K71-D73 IonicContact NZ-OD1 2.73Å; K71-D73 PolarHBondContact NZ-OD1 3.44Å; K71-D73 IonicContact NZ-OD2 3.78Å; K71-D73 PolarHBondContact NZ-OD2 3.5Å; K71-K84 HydrophobicContact CB-CB 4.2Å; K71-K84 PolarHBondContact N-O 3.14Å; K71-K84 PolarHBondContact O-N 3.36Å
72I94.3Very high92Very high33 Ų3353.1 Ų53.117%0.16926%0.264CS..EExtended strand (participates in β ladder)trans-124.7123.6-179.1-53.5176.5000107.5Y30 V33 V69 L81 L83Y30-I72 HydrophobicContact CD2-CG2 3.53Å; Y30-I72 HydrophobicContact CE2-CG2 3.57Å; V33-I72 HydrophobicContact CB-CD1 4.27Å; V33-I72 HydrophobicContact CG1-CD1 3.84Å; V33-I72 VanDerWaalsContact O-CD1 3.24Å; V33-I72 WeakPolarHBondContact O-CD1 3.48Å; V69-I72 HydrophobicContact CG1-CD1 3.93Å; V69-I72 HydrophobicContact CG1-CG1 3.46Å; V69-I72 VanDerWaalsContact CG1-CG1 3.46Å; I72-L81 HydrophobicContact CG2-CD1 3.68Å; I72-L83 HydrophobicContact CB-CD2 4.22Å; I72-L83 HydrophobicContact CG1-CD2 3.86Å; I72-L83 HydrophobicContact CG2-CD2 3.81Å
73D93Very high92.1Very high67 Ų6745.2 Ų45.236%0.35824%0.235SC..EExtended strand (participates in β ladder)trans-128.1135.5172.1-58-64000108.7K71 H82K71-D73 VanDerWaalsContact CE-OD1 3.29Å; K71-D73 WeakPolarHBondContact CE-OD1 3.41Å; K71-D73 WeakPolarHBondContact CE-OD2 3.38Å; K71-D73 IonicContact NZ-OD1 2.73Å; K71-D73 PolarHBondContact NZ-OD1 3.44Å; K71-D73 IonicContact NZ-OD2 3.78Å; K71-D73 PolarHBondContact NZ-OD2 3.5Å; D73-H82 HydrophobicContact CB-CB 4.25Å; D73-H82 PolarHBondContact N-O 3.3Å; D73-H82 PolarHBondContact O-N 3.06Å
74F90.9Very high92.3Very high38 Ų3848.9 Ų48.917%0.16725%0.249CC..EExtended strand (participates in β ladder)trans-120.2123.3-179.5-174.7-107.4000110.6M26 W27 Y30 L76 L81M26-F74 HydrophobicContact CB-CE2 3.96Å; M26-F74 HydrophobicContact CB-CZ 4.19Å; W27-F74 HydrophobicContact CB-CZ 4.41Å; W27-F74 AromaticContact CE3-CD1 3.69Å; W27-F74 HydrophobicContact CE3-CD1 3.69Å; W27-F74 AromaticContact CE3-CE1 3.55Å; W27-F74 HydrophobicContact CE3-CE1 3.55Å; W27-F74 HydrophobicContact CE3-CZ 4.3Å; W27-F74 AromaticContact CZ3-CD1 3.86Å; W27-F74 HydrophobicContact CZ3-CD1 3.86Å; W27-F74 HydrophobicContact CZ3-CE1 4.16Å; Y30-F74 HydrophobicContact CD1-CB 4.21Å; Y30-F74 HydrophobicContact CD1-CG 4.31Å; Y30-F74 HydrophobicContact CD2-CB 3.76Å; Y30-F74 HydrophobicContact CD2-CG 4.4Å; Y30-F74 HydrophobicContact CE1-CB 4.31Å; Y30-F74 HydrophobicContact CE2-CB 3.97Å; Y30-F74 HydrophobicContact CG-CB 3.88Å; Y30-F74 HydrophobicContact CG-CD2 4.32Å; Y30-F74 HydrophobicContact CG-CG 4.05Å; F74-L76 HydrophobicContact CE1-CB 4.31Å; F74-L76 HydrophobicContact CE1-CD1 3.78Å; F74-L81 HydrophobicContact CB-CD1 4.28Å; F74-L81 HydrophobicContact CD2-CB 4.05Å; F74-L81 HydrophobicContact CD2-CD1 3.98Å; F74-L81 HydrophobicContact CE2-CB 4.47Å
75D89.4Confident92.4Very high69 Ų6945 Ų4537%0.36923%0.229SC..EExtended strand (participates in β ladder)trans-92.5107.3170.8177.411.7000109.7Q77 G78 S79 V80D75-Q77 VanDerWaalsContact C-N 3.31Å; D75-Q77 PolarHBondContact O-N 2.88Å; D75-Q77 PolarHBondContact OD1-N 2.84Å; D75-G78 VanDerWaalsContact CG-N 3.33Å; D75-G78 PolarHBondContact OD1-N 3.08Å; D75-G78 WeakPolarHBondContact OD2-CA 3.43Å; D75-G78 PolarHBondContact OD2-N 3.33Å; D75-G78 VanDerWaalsContact OD2-N 3.15Å; D75-S79 VanDerWaalsContact O-CA 3.29Å; D75-S79 WeakPolarHBondContact O-CA 3.32Å; D75-S79 PolarHBondContact O-N 3.15Å; D75-V80 PolarHBondContact N-O 3.02Å; D75-V80 PolarHBondContact O-N 2.84Å
76L81.1Confident92.5Very high58 Ų5850.4 Ų50.430%0.30425%0.249SC..THydrogen-bonded Turntrans-66.5-30.5-179.6-172.564.1000113F74 L350F74-L76 HydrophobicContact CE1-CB 4.31Å; F74-L76 HydrophobicContact CE1-CD1 3.78Å; L76-L350 HydrophobicContact CD1-CD1 3.4Å; L76-L350 HydrophobicContact CD2-CD1 3.99Å; L76-L350 HydrophobicContact CD2-CD2 4.2Å; L76-L350 HydrophobicContact CG-CD1 4.33Å
77Q79.4Confident92.5Very high162 Ų16249.6 Ų49.676%0.75724%0.244SC*.THydrogen-bonded Turntrans-82.6-41.8-177.9-67.7-170.8-11.600111.6D75 S79D75-Q77 VanDerWaalsContact C-N 3.31Å; D75-Q77 PolarHBondContact O-N 2.88Å; D75-Q77 PolarHBondContact OD1-N 2.84Å; Q77-S79 VanDerWaalsContact C-N 3.32Å
78G83.3Confident92.5Very high41 Ų4151.2 Ų51.242%0.42325%0.254SS..THydrogen-bonded Turntrans-77.5-16.5175.400000114D75 V80D75-G78 VanDerWaalsContact CG-N 3.33Å; D75-G78 PolarHBondContact OD1-N 3.08Å; D75-G78 WeakPolarHBondContact OD2-CA 3.43Å; D75-G78 PolarHBondContact OD2-N 3.33Å; D75-G78 VanDerWaalsContact OD2-N 3.15Å; G78-V80 WeakPolarHBondContact O-CG2 3.27Å; G78-V80 PolarHBondContact O-N 3.43Å
79S85.3Confident92.3Very high9 Ų950.8 Ų50.86%0.06326%0.257CS..THydrogen-bonded Turntrans52.943-170-60.80000112.3E23 D75 Q77E23-S79 WeakPolarHBondContact CB-OG 3.43Å; E23-S79 WeakPolarHBondContact CG-OG 3.42Å; D75-S79 VanDerWaalsContact O-CA 3.29Å; D75-S79 WeakPolarHBondContact O-CA 3.32Å; D75-S79 PolarHBondContact O-N 3.15Å; Q77-S79 VanDerWaalsContact C-N 3.32Å
80V92.1Very high92.2Very high26 Ų2659 Ų5916%0.15830%0.295CS..EExtended strand (participates in β ladder)trans-115.7132.1-179.6-175.20000109.5D75 G78 D103D75-V80 PolarHBondContact N-O 3.02Å; D75-V80 PolarHBondContact O-N 2.84Å; G78-V80 WeakPolarHBondContact O-CG2 3.27Å; G78-V80 PolarHBondContact O-N 3.43Å; V80-D103 HydrophobicContact CG1-CB 4.2Å
81L94.2Very high92Very high0 Ų056.7 Ų56.70%029%0.285CS..EExtended strand (participates in β ladder)trans-104.2115.5175.4177.865000109.5M26 T29 Y30 I72 F74 L83 L104M26-L81 HydrophobicContact CE-CB 3.65Å; T29-L81 HydrophobicContact CG2-CD2 3.76Å; Y30-L81 HydrophobicContact CD2-CD1 3.71Å; Y30-L81 HydrophobicContact CG-CD1 4.29Å; I72-L81 HydrophobicContact CG2-CD1 3.68Å; F74-L81 HydrophobicContact CB-CD1 4.28Å; F74-L81 HydrophobicContact CD2-CB 4.05Å; F74-L81 HydrophobicContact CD2-CD1 3.98Å; F74-L81 HydrophobicContact CE2-CB 4.47Å; L81-L83 HydrophobicContact CD1-CD2 4.14Å; L81-L83 HydrophobicContact CD2-CD1 4.16Å; L81-L83 HydrophobicContact CD2-CD2 4.12Å; L81-L83 HydrophobicContact CD2-CG 4.24Å; L81-L83 HydrophobicContact CG-CD1 4.41Å; L81-L83 HydrophobicContact CG-CD2 3.94Å; L81-L83 HydrophobicContact CG-CG 3.99Å; L81-L104 HydrophobicContact CB-CB 4.27Å; L81-L104 HydrophobicContact CD2-CD2 4.31Å; L81-L104 PolarHBondContact N-O 2.83Å; L81-L104 PolarHBondContact O-N 3.15Å
82H95.2Very high91.9Very high61 Ų6160.2 Ų60.228%0.28230%0.303SS..EExtended strand (participates in β ladder)trans-96.4114.1178.8-57.8-71.5000110D73 T101 D103D73-H82 HydrophobicContact CB-CB 4.25Å; D73-H82 PolarHBondContact N-O 3.3Å; D73-H82 PolarHBondContact O-N 3.06Å; H82-T101 HydrophobicContact CB-CG2 4.25Å; H82-D103 IonicContact CE1-OD1 3.53Å; H82-D103 IonicContact CG-OD1 2.75Å; H82-D103 IonicContact ND1-OD1 3.8Å; H82-D103 PolarHBondContact ND1-OD1 2.83Å
83L96.3Very high91.7Very high0 Ų062.1 Ų62.10%031%0.31CS..EExtended strand (participates in β ladder)trans-113.4105.8-179.3-60.2174000109.3V33 M39 I67 V69 I72 L81 T101 L102V33-L83 HydrophobicContact CG1-CD1 4.46Å; V33-L83 HydrophobicContact CG1-CD2 3.9Å; M39-L83 HydrophobicContact CB-CD1 4.22Å; M39-L83 HydrophobicContact CE-CD1 3.59Å; M39-L83 HydrophobicContact CG-CD1 3.82Å; I67-L83 HydrophobicContact CD1-CB 4.12Å; I67-L83 WeakPolarHBondContact CD1-O 3.41Å; V69-L83 HydrophobicContact CG1-CD2 4.29Å; I72-L83 HydrophobicContact CB-CD2 4.22Å; I72-L83 HydrophobicContact CG1-CD2 3.86Å; I72-L83 HydrophobicContact CG2-CD2 3.81Å; L81-L83 HydrophobicContact CD1-CD2 4.14Å; L81-L83 HydrophobicContact CD2-CD1 4.16Å; L81-L83 HydrophobicContact CD2-CD2 4.12Å; L81-L83 HydrophobicContact CD2-CG 4.24Å; L81-L83 HydrophobicContact CG-CD1 4.41Å; L81-L83 HydrophobicContact CG-CD2 3.94Å; L81-L83 HydrophobicContact CG-CG 3.99Å; L83-T101 CarbonylContact O-C 3.57Å; L83-T101 WeakPolarHBondContact O-CA 3.38Å; L83-L102 HydrophobicContact CB-CB 4.37Å; L83-L102 PolarHBondContact N-O 3.38Å; L83-L102 PolarHBondContact O-N 2.9Å
84K96.9Very high91.6Very high95 Ų9559 Ų5941%0.41329%0.294SS..EExtended strand (participates in β ladder)trans-93.9134.6176.3-177.9-178177-176.40109.8E70 K71E70-K84 PolarHBondContact N-O 2.98Å; K71-K84 HydrophobicContact CB-CB 4.2Å; K71-K84 PolarHBondContact N-O 3.14Å; K71-K84 PolarHBondContact O-N 3.36Å
85G97.2Very high91.6Very high0 Ų065.8 Ų65.80%032%0.323CS..EExtended strand (participates in β ladder)trans-168.7-177.1-177.100000113.9E68 Y99 H100E68-G85 CarbonylContact O-C 3.57Å; E68-G85 WeakPolarHBondContact O-CA 3.36Å; G85-Y99 WeakPolarHBondContact O-CA 3.27Å; G85-Y99 WeakPolarHBondContact O-CD1 3.41Å; G85-H100 PolarHBondContact N-O 3.46Å; G85-H100 PolarHBondContact O-N 2.89Å; G85-H100 VanDerWaalsContact O-O 3.14Å
86R97.1Very high91.9Very high113 Ų11367.8 Ų67.843%0.42633%0.332SS..EExtended strand (participates in β ladder)trans-102.3140.2175.9-65.4179-169.8-167.8-4.4110.7I67 E68 E70 V88 Y99I67-R86 CarbonylContact C-O 3.52Å; I67-R86 WeakPolarHBondContact CA-O 3.41Å; E68-R86 PolarHBondContact N-O 2.97Å; E68-R86 PolarHBondContact O-N 3.01Å; E70-R86 VanDerWaalsContact OE1-CD 3.29Å; E70-R86 WeakPolarHBondContact OE1-CD 3.45Å; E70-R86 WeakPolarHBondContact OE1-CG 3.2Å; E70-R86 IonicContact OE1-CZ 3.86Å; E70-R86 IonicContact OE1-NE 2.83Å; E70-R86 PolarHBondContact OE1-NE 2.79Å; E70-R86 IonicContact OE1-NH2 3.91Å; R86-V88 PolarHBondContact O-N 3.23Å; R86-Y99 HydrophobicContact CG-CD1 4.03Å; R86-Y99 HydrophobicContact CG-CD2 4.49Å; R86-Y99 HydrophobicContact CG-CE1 3.69Å; R86-Y99 HydrophobicContact CG-CE2 4.18Å; R86-Y99 HydrophobicContact CG-CG 4.43Å; R86-Y99 VanDerWaalsContact NE-CZ 3.3Å; R86-Y99 PolarHBondContact NE-OH 2.75Å; R86-Y99 PolarHBondContact NH2-OH 3.01Å
87N96.9Very high92.5Very high2 Ų267 Ų671%0.01134%0.338CS..EExtended strand (participates in β ladder)trans-66.3124.6174.5-17542.3000111.2T66 V89 V94 K95 G97 A98T66-N87 WeakPolarHBondContact O-CA 3.25Å; T66-N87 PolarHBondContact O-OD1 2.66Å; T66-N87 VanDerWaalsContact O-OD1 3.04Å; N87-V89 VanDerWaalsContact CG-O 3.29Å; N87-V89 PolarHBondContact ND2-O 2.78Å; N87-V89 PolarHBondContact OD1-O 3.21Å; N87-V89 VanDerWaalsContact OD1-O 3.09Å; N87-V94 HydrophobicContact CB-CG1 3.82Å; N87-V94 PolarHBondContact ND2-O 3.39Å; N87-K95 PolarHBondContact ND2-O 3.42Å; N87-G97 PolarHBondContact O-N 3.22Å; N87-A98 PolarHBondContact N-O 3.44Å
88V95.9Very high93.3Very high35 Ų3560.5 Ų60.521%0.21231%0.312CS..  trans-113.40.2-177-65.20000114K38 T66 E68 R86 M96K38-V88 HydrophobicContact CD-CG2 4.07Å; K38-V88 HydrophobicContact CG-CG2 4.19Å; T66-V88 HydrophobicContact CG2-CG2 3.91Å; T66-V88 WeakPolarHBondContact O-CG2 3.3Å; T66-V88 PolarHBondContact O-N 3.35Å; E68-V88 HydrophobicContact CB-CG1 3.61Å; R86-V88 PolarHBondContact O-N 3.23Å; V88-M96 VanDerWaalsContact C-CE 3.48Å; V88-M96 VanDerWaalsContact O-CE 3.23Å; V88-M96 WeakPolarHBondContact O-CE 3.45Å
89V94.3Very high93.9Very high75 Ų7563.6 Ų63.646%0.45531%0.312SS..SBendtrans-126.7137174.3178.90000109.1T66 N87 N91 M96T66-V89 HydrophobicContact CG2-CG2 4.01Å; N87-V89 VanDerWaalsContact CG-O 3.29Å; N87-V89 PolarHBondContact ND2-O 2.78Å; N87-V89 PolarHBondContact OD1-O 3.21Å; N87-V89 VanDerWaalsContact OD1-O 3.09Å; V89-N91 PolarHBondContact O-N 2.76Å; V89-M96 PolarHBondContact N-SD 3.05Å; V89-M96 VanDerWaalsContact N-SD 3.44Å
90E92.8Very high94.4Very high172 Ų17264.5 Ų64.580%0.80432%0.315SS*.  trans-56.4133179.1-173.2173.1-166.500110.7M96E90-M96 PolarHBondContact N-SD 2.94Å
91N92.5Very high94.6Very high32 Ų3266.1 Ų66.117%0.17133%0.325CS..BIsolated β-bridgetrans-137.5143.8180-168.2-79.4000109.9T63 N64 L65 V89 F93 V94T63-N91 PolarHBondContact OG1-ND2 2.96Å; T63-N91 PolarHBondContact OG1-OD1 3.44Å; N64-N91 PolarHBondContact O-ND2 3.48Å; L65-N91 HydrophobicContact CD2-CB 3.96Å; L65-N91 WeakPolarHBondContact CD2-ND2 3.47Å; V89-N91 PolarHBondContact O-N 2.76Å; N91-F93 PolarHBondContact O-N 3Å; N91-F93 VanDerWaalsContact O-N 3.11Å; N91-F93 PolarHBondContact OD1-N 2.95Å; N91-F93 VanDerWaalsContact OD1-N 3.09Å; N91-V94 HydrophobicContact CB-CB 4.11Å; N91-V94 PolarHBondContact O-N 2.9Å
92Q90.9Very high94.6Very high176 Ų17666.1 Ų66.182%0.82233%0.325SS*.THydrogen-bonded Turntrans-55.4-32.4-178.9-64.8178.83.600113.5
93F90.4Very high94.6Very high73 Ų7366.4 Ų66.432%0.3233%0.328SS..THydrogen-bonded Turntrans-111.2-6.9-173.8-51.6-66.2000113.7R45 V47 V61 T63 N91R45-F93 PolarHBondContact NE-O 3.45Å; V47-F93 HydrophobicContact CG1-CD1 4.26Å; V47-F93 HydrophobicContact CG2-CB 3.86Å; V47-F93 HydrophobicContact CG2-CD1 3.91Å; V47-F93 HydrophobicContact CG2-CG 4.04Å; V61-F93 HydrophobicContact CG1-CD2 3.97Å; V61-F93 HydrophobicContact CG1-CE1 4.38Å; V61-F93 HydrophobicContact CG1-CE2 3.53Å; V61-F93 HydrophobicContact CG1-CZ 3.77Å; T63-F93 HydrophobicContact CG2-CD2 4.47Å; N91-F93 PolarHBondContact O-N 3Å; N91-F93 VanDerWaalsContact O-N 3.11Å; N91-F93 PolarHBondContact OD1-N 2.95Å; N91-F93 VanDerWaalsContact OD1-N 3.09Å
94V90.5Very high94.5Very high3 Ų366.4 Ų66.42%0.01833%0.328CS..BIsolated β-bridgetrans-135.3114-171.8-170.70000109.7R45 L65 N87 N91 A98R45-V94 VanDerWaalsContact CZ-CG2 3.47Å; R45-V94 VanDerWaalsContact NH1-CG2 3.32Å; L65-V94 HydrophobicContact CD1-CG2 3.8Å; L65-V94 HydrophobicContact CD2-CB 3.9Å; L65-V94 HydrophobicContact CD2-CG2 3.45Å; L65-V94 VanDerWaalsContact CD2-CG2 3.45Å; L65-V94 HydrophobicContact CG-CG2 4.28Å; N87-V94 HydrophobicContact CB-CG1 3.82Å; N87-V94 PolarHBondContact ND2-O 3.39Å; N91-V94 HydrophobicContact CB-CB 4.11Å; N91-V94 PolarHBondContact O-N 2.9Å; V94-A98 HydrophobicContact CG1-CB 3.9Å
95K92.8Very high94.2Very high179 Ų17968.8 Ų68.878%0.77834%0.335SS*.  trans-60148.7174.6-62-176-179.5-1780110.4N87 A98N87-K95 PolarHBondContact ND2-O 3.42Å; K95-A98 HydrophobicContact CB-CB 4.47Å; K95-A98 VanDerWaalsContact O-CB 3.24Å; K95-A98 WeakPolarHBondContact O-CB 3.49Å; K95-A98 PolarHBondContact O-N 2.84Å
96M94.8Very high93.9Very high111 Ų11171.4 Ų71.455%0.54735%0.351SS..THydrogen-bonded Turntrans-55.6138.5168.5-75.3-66.3-76.800110.7V88 V89 E90 A98V88-M96 VanDerWaalsContact C-CE 3.48Å; V88-M96 VanDerWaalsContact O-CE 3.23Å; V88-M96 WeakPolarHBondContact O-CE 3.45Å; V89-M96 PolarHBondContact N-SD 3.05Å; V89-M96 VanDerWaalsContact N-SD 3.44Å; E90-M96 PolarHBondContact N-SD 2.94Å; M96-A98 PolarHBondContact O-N 2.79Å
97G94.5Very high93.6Very high42 Ų4271.5 Ų71.543%0.43336%0.36SS..THydrogen-bonded Turntrans76-5.4-177.700000115.4N87N87-G97 PolarHBondContact O-N 3.22Å
98A94.9Very high93.3Very high26 Ų2673.7 Ų73.722%0.21537%0.37CS..  trans-70.2138.6177.600000111.3N87 V94 K95 M96N87-A98 PolarHBondContact N-O 3.44Å; V94-A98 HydrophobicContact CG1-CB 3.9Å; K95-A98 HydrophobicContact CB-CB 4.47Å; K95-A98 VanDerWaalsContact O-CB 3.24Å; K95-A98 WeakPolarHBondContact O-CB 3.49Å; K95-A98 PolarHBondContact O-N 2.84Å; M96-A98 PolarHBondContact O-N 2.79Å
99Y96.2Very high93.3Very high106 Ų10677.9 Ų77.942%0.41639%0.385SS..EExtended strand (participates in β ladder)trans-70.5142.4176.7-82-77.9000112.5E70 G85 R86E70-Y99 PolarHBondContact OE1-OH 3Å; E70-Y99 VanDerWaalsContact OE1-OH 3.11Å; E70-Y99 WeakPolarHBondContact OE2-CE1 3.49Å; E70-Y99 PolarHBondContact OE2-OH 3.32Å; G85-Y99 WeakPolarHBondContact O-CA 3.27Å; G85-Y99 WeakPolarHBondContact O-CD1 3.41Å; R86-Y99 HydrophobicContact CG-CD1 4.03Å; R86-Y99 HydrophobicContact CG-CD2 4.49Å; R86-Y99 HydrophobicContact CG-CE1 3.69Å; R86-Y99 HydrophobicContact CG-CE2 4.18Å; R86-Y99 HydrophobicContact CG-CG 4.43Å; R86-Y99 VanDerWaalsContact NE-CZ 3.3Å; R86-Y99 PolarHBondContact NE-OH 2.75Å; R86-Y99 PolarHBondContact NH2-OH 3.01Å
100H95.2Very high93.3Very high28 Ų2874.4 Ų74.413%0.1336%0.364CS..EExtended strand (participates in β ladder)trans-152.1153172.1-164.480.8000110.4T43 L65 I67 G85T43-H100 WeakPolarHBondContact CG2-NE2 3.41Å; T43-H100 PolarHBondContact OG1-NE2 3.02Å; L65-H100 HydrophobicContact CD1-CB 4.1Å; I67-H100 HydrophobicContact CG2-CB 4.38Å; G85-H100 PolarHBondContact N-O 3.46Å; G85-H100 PolarHBondContact O-N 2.89Å; G85-H100 VanDerWaalsContact O-O 3.14Å
101T96.1Very high93.5Very high59 Ų5967.1 Ų67.136%0.36233%0.331SS..EExtended strand (participates in β ladder)trans-111.6119.8170.7-54.70000108.6H82 L83H82-T101 HydrophobicContact CB-CG2 4.25Å; L83-T101 CarbonylContact O-C 3.57Å; L83-T101 WeakPolarHBondContact O-CA 3.38Å
102L95.8Very high93.7Very high1 Ų165.6 Ų65.61%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-88.7122.1171.5-65.2177.6000108.8M39 C41 T43 L65 I67 L83M39-L102 HydrophobicContact CE-CB 3.94Å; M39-L102 HydrophobicContact CE-CD1 3.46Å; M39-L102 VanDerWaalsContact CE-CD1 3.46Å; M39-L102 HydrophobicContact CE-CG 4.33Å; M39-L102 HydrophobicContact SD-CD1 4.17Å; C41-L102 HydrophobicContact CB-CD1 4.27Å; T43-L102 HydrophobicContact CG2-CD2 3.79Å; L65-L102 HydrophobicContact CB-CD2 4.36Å; I67-L102 HydrophobicContact CD1-CB 4.22Å; I67-L102 HydrophobicContact CD1-CD1 3.66Å; I67-L102 HydrophobicContact CD1-CG 3.74Å; I67-L102 HydrophobicContact CG1-CD1 3.61Å; I67-L102 HydrophobicContact CG1-CG 4.19Å; I67-L102 HydrophobicContact CG2-CD1 4.28Å; I67-L102 HydrophobicContact CG2-CG 4.41Å; L83-L102 HydrophobicContact CB-CB 4.37Å; L83-L102 PolarHBondContact N-O 3.38Å; L83-L102 PolarHBondContact O-N 2.9Å
103D94Very high93.9Very high67 Ų6759.7 Ų59.736%0.35830%0.299SS..EExtended strand (participates in β ladder)trans-99.499.1174.2-61.3-26.1000107.9V80 H82V80-D103 HydrophobicContact CG1-CB 4.2Å; H82-D103 IonicContact CE1-OD1 3.53Å; H82-D103 IonicContact CG-OD1 2.75Å; H82-D103 IonicContact ND1-OD1 3.8Å; H82-D103 PolarHBondContact ND1-OD1 2.83Å
104L94Very high94Very high0 Ų056.6 Ų56.60%029%0.286CS..EExtended strand (participates in β ladder)trans-80.7132.6178.7-17967.7000110.1M26 T29 L81 E108 F110M26-L104 HydrophobicContact CE-CB 4.11Å; M26-L104 HydrophobicContact CE-CD2 4.04Å; M26-L104 HydrophobicContact CE-CG 3.88Å; M26-L104 WeakPolarHBondContact CE-O 3.09Å; M26-L104 HydrophobicContact SD-CD2 4.22Å; M26-L104 HydrophobicContact SD-CG 4.15Å; T29-L104 HydrophobicContact CG2-CD2 3.73Å; L81-L104 HydrophobicContact CB-CB 4.27Å; L81-L104 HydrophobicContact CD2-CD2 4.31Å; L81-L104 PolarHBondContact N-O 2.83Å; L81-L104 PolarHBondContact O-N 3.15Å; L104-E108 HydrophobicContact CD1-CB 4.33Å; L104-F110 HydrophobicContact CD1-CB 3.81Å; L104-F110 HydrophobicContact CD1-CD1 3.49Å; L104-F110 VanDerWaalsContact CD1-CD1 3.49Å; L104-F110 HydrophobicContact CD1-CE1 4.24Å; L104-F110 HydrophobicContact CD1-CG 3.81Å; L104-F110 HydrophobicContact CD2-CD1 3.71Å; L104-F110 HydrophobicContact CD2-CD2 4.17Å; L104-F110 HydrophobicContact CD2-CE1 3.77Å; L104-F110 HydrophobicContact CD2-CE2 4.24Å; L104-F110 HydrophobicContact CD2-CG 3.91Å; L104-F110 HydrophobicContact CD2-CZ 4.03Å; L104-F110 HydrophobicContact CG-CD1 4.19Å
105R90.6Very high94Very high144 Ų14462.2 Ų62.254%0.54332%0.32SS..  trans-121167.1177.4-58.8179.4-177.8-157.9-2.8110.9E108R105-E108 HydrophobicContact CB-CG 4.33Å; R105-E108 PolarHBondContact O-N 3.29Å
106T91.2Very high93.8Very high55 Ų5558.8 Ų58.834%0.33731%0.307SS..THydrogen-bonded Turntrans-59.7150.4170.756.80000111A20 M26 E108A20-T106 CarbonylContact O-C 3.49Å; A20-T106 WeakPolarHBondContact O-CA 3.15Å; M26-T106 HydrophobicContact CG-CG2 3.87Å; T106-E108 PolarHBondContact O-N 3.07Å; T106-E108 VanDerWaalsContact O-N 3.1Å
107D91.2Very high93.6Very high116 Ų11653.6 Ų53.662%0.6228%0.281SS*.THydrogen-bonded Turntrans61.97.1-178.2-57.4-46000115.9A20A20-D107 PolarHBondContact O-N 3.04Å
108E91.3Very high93.3Very high47 Ų4753.2 Ų53.222%0.2227%0.269CS..  trans-91.8137.3172.1-64.1-169.7154.500111.2L104 R105 T106 F110L104-E108 HydrophobicContact CD1-CB 4.33Å; R105-E108 HydrophobicContact CB-CG 4.33Å; R105-E108 PolarHBondContact O-N 3.29Å; T106-E108 PolarHBondContact O-N 3.07Å; T106-E108 VanDerWaalsContact O-N 3.1Å; E108-F110 WeakPolarHBondContact O-CD1 3.4Å
109K94.5Very high93Very high123 Ų12353.8 Ų53.854%0.53527%0.271SS..EExtended strand (participates in β ladder)trans-79.2127.2175.7177.6179.5-179178.50110.1I4 T17 I19I4-K109 HydrophobicContact CD1-CB 4.41Å; I4-K109 HydrophobicContact CD1-CD 3.76Å; I4-K109 HydrophobicContact CD1-CG 3.71Å; T17-K109 HydrophobicContact CG2-CD 4.2Å; T17-K109 HydrophobicContact CG2-CG 3.93Å; I19-K109 HydrophobicContact CG1-CB 4.18Å
110F95.5Very high92.7Very high2 Ų248.9 Ų48.91%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-134.1154.5174.964.2-83.1000111.6T17 L18 A20 T29 M39 R40 C41 L104 E108 I112T17-F110 CarbonylContact C-O 3.55Å; T17-F110 WeakPolarHBondContact CA-O 3.32Å; L18-F110 HydrophobicContact CB-CD2 4.43Å; L18-F110 HydrophobicContact CB-CE1 3.96Å; L18-F110 HydrophobicContact CB-CE2 3.79Å; L18-F110 HydrophobicContact CB-CZ 3.54Å; L18-F110 HydrophobicContact CD1-CE2 3.87Å; L18-F110 HydrophobicContact CD1-CZ 4.08Å; L18-F110 HydrophobicContact CG-CE2 4.37Å; L18-F110 HydrophobicContact CG-CZ 4.43Å; L18-F110 PolarHBondContact N-O 3.27Å; L18-F110 WeakPolarHBondContact O-CD1 3.18Å; L18-F110 PolarHBondContact O-N 2.9Å; A20-F110 HydrophobicContact CB-CE1 4.09Å; T29-F110 HydrophobicContact CG2-CD2 4.4Å; T29-F110 HydrophobicContact CG2-CE2 3.51Å; T29-F110 HydrophobicContact CG2-CZ 3.59Å; T29-F110 WeakPolarHBondContact OG1-CZ 3.5Å; M39-F110 HydrophobicContact SD-CB 3.9Å; R40-F110 WeakPolarHBondContact O-CA 3.21Å; C41-F110 HydrophobicContact CB-CB 4.22Å; L104-F110 HydrophobicContact CD1-CB 3.81Å; L104-F110 HydrophobicContact CD1-CD1 3.49Å; L104-F110 VanDerWaalsContact CD1-CD1 3.49Å; L104-F110 HydrophobicContact CD1-CE1 4.24Å; L104-F110 HydrophobicContact CD1-CG 3.81Å; L104-F110 HydrophobicContact CD2-CD1 3.71Å; L104-F110 HydrophobicContact CD2-CD2 4.17Å; L104-F110 HydrophobicContact CD2-CE1 3.77Å; L104-F110 HydrophobicContact CD2-CE2 4.24Å; L104-F110 HydrophobicContact CD2-CG 3.91Å; L104-F110 HydrophobicContact CD2-CZ 4.03Å; L104-F110 HydrophobicContact CG-CD1 4.19Å; E108-F110 WeakPolarHBondContact O-CD1 3.4Å; F110-I112 HydrophobicContact CD2-CD1 4.34Å; F110-I112 HydrophobicContact CD2-CG1 3.96Å; F110-I112 HydrophobicContact CE2-CD1 3.85Å; F110-I112 HydrophobicContact CE2-CG1 3.99Å
111T96.6Very high92.4Very high19 Ų1947.8 Ų47.812%0.11725%0.248CC..EExtended strand (participates in β ladder)trans-122.4125.6175.6-57.30000109Y15 I16 T17 M39 R40Y15-T111 HydrophobicContact CD2-CG2 3.82Å; Y15-T111 HydrophobicContact CG-CG2 4.15Å; I16-T111 WeakPolarHBondContact O-CA 3.33Å; T17-T111 WeakPolarHBondContact OG1-CG2 3.35Å; T17-T111 PolarHBondContact OG1-OG1 3.19Å; M39-T111 WeakPolarHBondContact CA-O 3.06Å; R40-T111 PolarHBondContact N-O 3.33Å; R40-T111 PolarHBondContact O-N 3.06Å
112I96.1Very high92.1Very high1 Ų147 Ų471%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-99.3130.2170.9-55.7174000107.5Y15 I16 L18 T29 L32 V33 F110 K114 W117Y15-I112 CarbonylContact C-O 3.55Å; Y15-I112 WeakPolarHBondContact CA-O 3.32Å; Y15-I112 WeakPolarHBondContact CB-O 3.43Å; I16-I112 PolarHBondContact N-O 2.95Å; I16-I112 PolarHBondContact O-N 3.17Å; L18-I112 HydrophobicContact CD1-CD1 4.29Å; T29-I112 HydrophobicContact CG2-CD1 4.43Å; L32-I112 HydrophobicContact CB-CD1 4.29Å; V33-I112 HydrophobicContact CG2-CD1 3.66Å; V33-I112 HydrophobicContact CG2-CG1 4.16Å; F110-I112 HydrophobicContact CD2-CD1 4.34Å; F110-I112 HydrophobicContact CD2-CG1 3.96Å; F110-I112 HydrophobicContact CE2-CD1 3.85Å; F110-I112 HydrophobicContact CE2-CG1 3.99Å; I112-K114 HydrophobicContact CG2-CG 3.92Å; I112-W117 HydrophobicContact CB-CH2 3.99Å; I112-W117 HydrophobicContact CB-CZ2 4.05Å; I112-W117 HydrophobicContact CG2-CH2 3.91Å; I112-W117 HydrophobicContact CG2-CZ2 3.92Å
113T95.6Very high91.7Very high52 Ų5248.3 Ų48.332%0.31925%0.248SC..EExtended strand (participates in β ladder)trans-117.6121.4170.7-58.40000108.6G14 Y15 K38G14-T113 WeakPolarHBondContact O-CA 3.42Å; Y15-T113 WeakPolarHBondContact CB-OG1 3.49Å; K38-T113 PolarHBondContact N-O 3.17Å; K38-T113 PolarHBondContact O-N 3.15Å
114K93.3Very high91.3Very high7 Ų745.9 Ų45.93%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-115.1149.2178.8-61-175.2163.7-83.40110.6G14 L32 D37 I112 E116 W117G14-K114 PolarHBondContact N-O 3.07Å; G14-K114 VanDerWaalsContact N-O 3.15Å; G14-K114 PolarHBondContact O-N 3.26Å; L32-K114 WeakPolarHBondContact O-CE 3.22Å; L32-K114 PolarHBondContact O-NZ 2.57Å; D37-K114 IonicContact OD1-NZ 3.78Å; D37-K114 WeakPolarHBondContact OD2-CE 3.47Å; D37-K114 IonicContact OD2-NZ 2.7Å; D37-K114 PolarHBondContact OD2-NZ 3.26Å; I112-K114 HydrophobicContact CG2-CG 3.92Å; K114-E116 VanDerWaalsContact C-N 3.28Å; K114-W117 HydrophobicContact CB-CD2 4.32Å; K114-W117 HydrophobicContact CB-CG 4.3Å; K114-W117 HydrophobicContact CB-CZ2 4.42Å; K114-W117 HydrophobicContact CD-CD2 3.64Å; K114-W117 HydrophobicContact CD-CE3 3.73Å; K114-W117 HydrophobicContact CD-CG 4.19Å; K114-W117 HydrophobicContact CD-CH2 3.96Å; K114-W117 HydrophobicContact CD-CZ2 3.88Å; K114-W117 HydrophobicContact CD-CZ3 3.89Å; K114-W117 HydrophobicContact CG-CD2 4.17Å; K114-W117 HydrophobicContact CG-CH2 4.28Å; K114-W117 HydrophobicContact CG-CZ2 3.8Å
115T89.2Confident91Very high121 Ų12146.3 Ų46.374%0.74224%0.237SC*.SBendtrans-65-36.9167.947.50000111.2S13S13-T115 WeakPolarHBondContact CA-O 3.49Å; S13-T115 WeakPolarHBondContact CB-O 3.25Å
116E88.1Confident90.7Very high108 Ų10844.3 Ų44.351%0.50524%0.235SC..  trans-145.1121.6-180-175.9175.6-170.800108.8K114K114-E116 VanDerWaalsContact C-N 3.28Å
117W91Very high90Very high2 Ų245.3 Ų45.31%0.00824%0.235CC..  trans-90.4101.8167.1-73.388.1000108.3L8 S12 G14 I16 I112 K114 A121 I122 V125L8-W117 HydrophobicContact CD2-CB 4.36Å; L8-W117 HydrophobicContact CD2-CD2 4.39Å; L8-W117 HydrophobicContact CD2-CG 3.77Å; S12-W117 WeakPolarHBondContact CB-O 3.37Å; S12-W117 WeakPolarHBondContact O-CB 3.26Å; S12-W117 VanDerWaalsContact O-CD1 3.26Å; S12-W117 PolarHBondContact O-N 3.1Å; G14-W117 PolarHBondContact O-NE1 3.32Å; I16-W117 HydrophobicContact CB-CH2 3.92Å; I16-W117 HydrophobicContact CB-CZ2 3.84Å; I16-W117 HydrophobicContact CD1-CD2 3.85Å; I16-W117 HydrophobicContact CD1-CE3 3.7Å; I16-W117 HydrophobicContact CD1-CH2 3.72Å; I16-W117 HydrophobicContact CD1-CZ2 3.85Å; I16-W117 HydrophobicContact CD1-CZ3 3.64Å; I16-W117 HydrophobicContact CG1-CD2 4.26Å; I16-W117 HydrophobicContact CG1-CE3 4.47Å; I16-W117 HydrophobicContact CG1-CH2 3.86Å; I16-W117 HydrophobicContact CG1-CZ2 3.58Å; I16-W117 HydrophobicContact CG1-CZ3 4.3Å; I112-W117 HydrophobicContact CB-CH2 3.99Å; I112-W117 HydrophobicContact CB-CZ2 4.05Å; I112-W117 HydrophobicContact CG2-CH2 3.91Å; I112-W117 HydrophobicContact CG2-CZ2 3.92Å; K114-W117 HydrophobicContact CB-CD2 4.32Å; K114-W117 HydrophobicContact CB-CG 4.3Å; K114-W117 HydrophobicContact CB-CZ2 4.42Å; K114-W117 HydrophobicContact CD-CD2 3.64Å; K114-W117 HydrophobicContact CD-CE3 3.73Å; K114-W117 HydrophobicContact CD-CG 4.19Å; K114-W117 HydrophobicContact CD-CH2 3.96Å; K114-W117 HydrophobicContact CD-CZ2 3.88Å; K114-W117 HydrophobicContact CD-CZ3 3.89Å; K114-W117 HydrophobicContact CG-CD2 4.17Å; K114-W117 HydrophobicContact CG-CH2 4.28Å; K114-W117 HydrophobicContact CG-CZ2 3.8Å; W117-A121 HydrophobicContact CE3-CB 4.03Å; W117-A121 HydrophobicContact CZ3-CB 4.42Å; W117-I122 HydrophobicContact CB-CD1 4.33Å; W117-I122 HydrophobicContact CB-CG1 4.22Å; W117-V125 HydrophobicContact CZ3-CG2 4.29Å
118D88.3Confident89.4Confident34 Ų3440 Ų4018%0.18221%0.208CC..  trans-68.6163.3175.461.343.8000112.2V120 A121 I122 V331D118-V120 PolarHBondContact O-N 3.19Å; D118-V120 PolarHBondContact OD1-N 3.19Å; D118-A121 PolarHBondContact O-N 2.85Å; D118-A121 WeakPolarHBondContact OD1-CB 3.43Å; D118-A121 PolarHBondContact OD1-N 3.42Å; D118-I122 WeakPolarHBondContact O-CG1 3.44Å; D118-I122 PolarHBondContact O-N 3.4Å; D118-I122 VanDerWaalsContact O-N 3.1Å; D118-V331 HydrophobicContact CB-CG1 3.88Å; D118-V331 HydrophobicContact CB-CG2 4.33Å
119S88.7Confident88.7Confident37 Ų3740.6 Ų40.626%0.25922%0.217SC..Hα-helixtrans-60.1-32-178.668.70000112.2M123 D335S119-M123 VanDerWaalsContact O-CB 3.29Å; S119-M123 WeakPolarHBondContact O-CB 3.26Å; S119-M123 PolarHBondContact O-N 2.97Å; S119-D335 VanDerWaalsContact CB-OD1 3.23Å; S119-D335 WeakPolarHBondContact CB-OD1 3.37Å; S119-D335 PolarHBondContact OG-OD1 2.91Å; S119-D335 PolarHBondContact OG-OD2 2.95Å
120V89.6Confident87.5Confident3 Ų337.4 Ų37.42%0.01821%0.206CC..Hα-helixtrans-69.5-46.3179.7176.20000110.3D118 M123 L124 F319 V331 V334 I346D118-V120 PolarHBondContact O-N 3.19Å; D118-V120 PolarHBondContact OD1-N 3.19Å; V120-M123 PolarHBondContact O-N 2.82Å; V120-L124 HydrophobicContact CG1-CD1 4.16Å; V120-L124 HydrophobicContact CG1-CG 4.46Å; V120-L124 WeakPolarHBondContact O-CB 3.46Å; V120-L124 VanDerWaalsContact O-CG 3.28Å; V120-L124 WeakPolarHBondContact O-CG 3.32Å; V120-L124 PolarHBondContact O-N 2.85Å; V120-F319 HydrophobicContact CG1-CD1 4.34Å; V120-F319 HydrophobicContact CG1-CD2 4.35Å; V120-F319 HydrophobicContact CG1-CE1 4.24Å; V120-F319 HydrophobicContact CG1-CE2 4.27Å; V120-F319 HydrophobicContact CG1-CG 4.38Å; V120-F319 HydrophobicContact CG1-CZ 4.2Å; V120-F319 HydrophobicContact CG2-CE1 3.99Å; V120-F319 HydrophobicContact CG2-CZ 4.28Å; V120-V331 HydrophobicContact CG2-CG2 4.36Å; V120-V334 HydrophobicContact CG2-CB 4.24Å; V120-V334 HydrophobicContact CG2-CG1 3.91Å; V120-V334 HydrophobicContact CG2-CG2 4.43Å; V120-I346 HydrophobicContact CG1-CD1 3.61Å
121A90Very high86.1Confident5 Ų541.9 Ų41.94%0.04124%0.235CC..Hα-helixtrans-63.5-42.217800000111.2L32 W117 D118 L124 V125L32-A121 HydrophobicContact CD2-CB 3.95Å; L32-A121 WeakPolarHBondContact CD2-O 3.4Å; W117-A121 HydrophobicContact CE3-CB 4.03Å; W117-A121 HydrophobicContact CZ3-CB 4.42Å; D118-A121 PolarHBondContact O-N 2.85Å; D118-A121 WeakPolarHBondContact OD1-CB 3.43Å; D118-A121 PolarHBondContact OD1-N 3.42Å; A121-L124 PolarHBondContact O-N 2.9Å; A121-V125 WeakPolarHBondContact O-CG2 3.45Å; A121-V125 PolarHBondContact O-N 2.78Å
122I89.1Confident84.3Confident44 Ų4445.7 Ų45.723%0.22626%0.258CS..Hα-helixtrans-61.8-48.3174.9-65.9170.4000110.2W117 D118 L124 V125 E126W117-I122 HydrophobicContact CB-CD1 4.33Å; W117-I122 HydrophobicContact CB-CG1 4.22Å; D118-I122 WeakPolarHBondContact O-CG1 3.44Å; D118-I122 PolarHBondContact O-N 3.4Å; D118-I122 VanDerWaalsContact O-N 3.1Å; I122-L124 VanDerWaalsContact C-N 3.3Å; I122-L124 PolarHBondContact O-N 2.9Å; I122-V125 PolarHBondContact O-N 2.87Å; I122-V125 VanDerWaalsContact O-N 3.16Å; I122-E126 WeakPolarHBondContact O-CG 3.25Å; I122-E126 PolarHBondContact O-N 3.4Å
123M87.5Confident82.5Confident28 Ų2848.6 Ų48.614%0.13827%0.272CS..Hα-helixtrans-59.5-40.6178-174.5-167.57500112.1S119 V120 E126 Q127 K338 I346S119-M123 VanDerWaalsContact O-CB 3.29Å; S119-M123 WeakPolarHBondContact O-CB 3.26Å; S119-M123 PolarHBondContact O-N 2.97Å; V120-M123 PolarHBondContact O-N 2.82Å; M123-E126 PolarHBondContact O-N 2.93Å; M123-Q127 WeakPolarHBondContact O-CB 3.34Å; M123-Q127 VanDerWaalsContact O-CG 3.32Å; M123-Q127 WeakPolarHBondContact O-CG 3.43Å; M123-Q127 PolarHBondContact O-N 2.73Å; M123-K338 PolarHBondContact SD-NZ 2.88Å; M123-I346 HydrophobicContact CE-CD1 3.27Å; M123-I346 HydrophobicContact CE-CG1 3.85Å
124L85.7Confident80.8Confident15 Ų1550 Ų508%0.07928%0.275CS..Hα-helixtrans-63.7-41.5176.5-74.3173.2000111.9L28 L32 V120 A121 I122 A128L28-L124 HydrophobicContact CD2-CD2 4.46Å; L32-L124 HydrophobicContact CD2-CB 4.01Å; L32-L124 HydrophobicContact CD2-CD1 4.4Å; V120-L124 HydrophobicContact CG1-CD1 4.16Å; V120-L124 HydrophobicContact CG1-CG 4.46Å; V120-L124 WeakPolarHBondContact O-CB 3.46Å; V120-L124 VanDerWaalsContact O-CG 3.28Å; V120-L124 WeakPolarHBondContact O-CG 3.32Å; V120-L124 PolarHBondContact O-N 2.85Å; A121-L124 PolarHBondContact O-N 2.9Å; I122-L124 VanDerWaalsContact C-N 3.3Å; I122-L124 PolarHBondContact O-N 2.9Å; L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.33Å; L124-A128 PolarHBondContact O-N 2.94Å
125V87.3Confident79.3Confident9 Ų949.8 Ų49.86%0.05527%0.274CS..Hα-helixtrans-63.5-42.5175.4172.10000111.2V3 L18 L32 W117 A121 I122 A128 S129V3-V125 HydrophobicContact CG2-CG1 3.8Å; L18-V125 HydrophobicContact CD2-CG1 4.24Å; L32-V125 HydrophobicContact CD1-CG2 3.64Å; L32-V125 HydrophobicContact CD2-CG2 3.9Å; L32-V125 HydrophobicContact CG-CG2 4.45Å; W117-V125 HydrophobicContact CZ3-CG2 4.29Å; A121-V125 WeakPolarHBondContact O-CG2 3.45Å; A121-V125 PolarHBondContact O-N 2.78Å; I122-V125 PolarHBondContact O-N 2.87Å; I122-V125 VanDerWaalsContact O-N 3.16Å; V125-A128 PolarHBondContact O-N 2.94Å; V125-S129 PolarHBondContact O-N 3.39Å
126E84.5Confident78.6Confident103 Ų10345.6 Ų45.648%0.48125%0.247SC..Hα-helixtrans-65.8-44.9178.4-71177.317100111.6R6 I122 M123 A128 S129 D130R6-E126 IonicContact NH1-OE1 2.9Å; I122-E126 WeakPolarHBondContact O-CG 3.25Å; I122-E126 PolarHBondContact O-N 3.4Å; M123-E126 PolarHBondContact O-N 2.93Å; E126-A128 VanDerWaalsContact C-N 3.32Å; E126-A128 PolarHBondContact O-N 3.49Å; E126-S129 PolarHBondContact O-N 3.41Å; E126-S129 VanDerWaalsContact O-N 3.12Å; E126-S129 PolarHBondContact O-OG 3.33Å; E126-D130 PolarHBondContact O-N 2.84Å
127Q77.7Confident78.5Confident75 Ų7540.6 Ų40.635%0.3522%0.224SC..Hα-helixtrans-60.9-39.6174.4-74.3-177.76.900112.5M123 S129 D130M123-Q127 WeakPolarHBondContact O-CB 3.34Å; M123-Q127 VanDerWaalsContact O-CG 3.32Å; M123-Q127 WeakPolarHBondContact O-CG 3.43Å; M123-Q127 PolarHBondContact O-N 2.73Å; Q127-S129 PolarHBondContact O-N 2.92Å; Q127-D130 PolarHBondContact O-N 3.22Å
128A78.7Confident78.5Confident6 Ų640.5 Ų40.55%0.0522%0.224CC..Hα-helixtrans-65-25.7177.600000112.9M1 L28 L124 V125 E126M1-A128 HydrophobicContact CB-CB 3.63Å; M1-A128 WeakPolarHBondContact CB-O 3.35Å; M1-A128 HydrophobicContact CG-CB 4.41Å; M1-A128 PolarHBondContact N-O 3.05Å; M1-A128 HydrophobicContact SD-CB 4.02Å; L28-A128 HydrophobicContact CD1-CB 3.47Å; L28-A128 VanDerWaalsContact CD1-CB 3.47Å; L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.33Å; L124-A128 PolarHBondContact O-N 2.94Å; V125-A128 PolarHBondContact O-N 2.94Å; E126-A128 VanDerWaalsContact C-N 3.32Å; E126-A128 PolarHBondContact O-N 3.49Å
129S75.9Confident78.7Confident59 Ų5939 Ų3941%0.41322%0.216SC..Hα-helixtrans-84.8-14.4-178.174.30000114.1M1 V125 E126 Q127 P131M1-S129 WeakPolarHBondContact O-CA 3.4Å; V125-S129 PolarHBondContact O-N 3.39Å; E126-S129 PolarHBondContact O-N 3.41Å; E126-S129 VanDerWaalsContact O-N 3.12Å; E126-S129 PolarHBondContact O-OG 3.33Å; Q127-S129 PolarHBondContact O-N 2.92Å; S129-P131 VanDerWaalsContact O-CD 3.24Å; S129-P131 WeakPolarHBondContact O-CD 3.23Å
130D69.8Low79.1Confident56 Ų5637.2 Ų37.230%0.29920%0.203SC..  trans-82.2109.4-179.7-175.8-0.5000111E126 Q127 T132 Q133E126-D130 PolarHBondContact O-N 2.84Å; Q127-D130 PolarHBondContact O-N 3.22Å; D130-T132 PolarHBondContact O-N 2.83Å; D130-T132 WeakPolarHBondContact OD1-CB 3.46Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.38Å; D130-T132 PolarHBondContact OD1-N 3.5Å; D130-T132 PolarHBondContact OD1-OG1 3.02Å; D130-T132 PolarHBondContact OD2-OG1 3.02Å; D130-Q133 HydrophobicContact CB-CG 4.24Å
131P64.7Low79.4Confident96 Ų9637 Ų3762%0.62320%0.203SC*.G310 helixtrans-69-17.9-179.730.5-36.1000112.7S129 Q133 Q134S129-P131 VanDerWaalsContact O-CD 3.24Å; S129-P131 WeakPolarHBondContact O-CD 3.23Å; P131-Q133 PolarHBondContact O-N 3.32Å; P131-Q134 PolarHBondContact O-N 2.7Å
132T59.9Low79.7Confident98 Ų9836.8 Ų36.860%0.60120%0.201SC*.G310 helixtrans-70-20.8-175.767.80000113D130 Q134D130-T132 PolarHBondContact O-N 2.83Å; D130-T132 WeakPolarHBondContact OD1-CB 3.46Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.38Å; D130-T132 PolarHBondContact OD1-N 3.5Å; D130-T132 PolarHBondContact OD1-OG1 3.02Å; D130-T132 PolarHBondContact OD2-OG1 3.02Å; T132-Q134 VanDerWaalsContact C-N 3.3Å; T132-Q134 PolarHBondContact O-N 3.49Å
133Q57.7Low80Confident63 Ų6339 Ų3929%0.29421%0.21SC..G310 helixtrans-79.5-11.1-177.7-62.3-63-27.700113.7D130 P131 A135 S154D130-Q133 HydrophobicContact CB-CG 4.24Å; P131-Q133 PolarHBondContact O-N 3.32Å; Q133-A135 PolarHBondContact O-N 3.39Å; Q133-S154 WeakPolarHBondContact O-CB 3.38Å
134Q61.3Low80.2Confident80 Ų8042.3 Ų42.337%0.37423%0.225SC..  trans-81111.5-176.3-62.6-175.15.100110.3N22 P131 T132N22-Q134 PolarHBondContact ND2-NE2 2.93Å; N22-Q134 VanDerWaalsContact ND2-NE2 3.18Å; P131-Q134 PolarHBondContact O-N 2.7Å; T132-Q134 VanDerWaalsContact C-N 3.3Å; T132-Q134 PolarHBondContact O-N 3.49Å
135A60.8Low80.5Confident3 Ų342 Ų423%0.02523%0.225CC..  trans-145.5106.8172.200000109.2Q133 K204 T270Q133-A135 PolarHBondContact O-N 3.39Å; A135-K204 HydrophobicContact CB-CD 3.92Å; A135-K204 VanDerWaalsContact CB-NZ 3.32Å; A135-T270 HydrophobicContact CB-CG2 3.84Å
136D74Confident80.9Confident33 Ų3342.4 Ų42.418%0.17623%0.227CC..  trans-85.1128.5174.6-68.5-10.9000109.7L151 I202 V203 K204D136-L151 HydrophobicContact CB-CD1 4.36Å; D136-I202 HydrophobicContact CB-CG2 4.32Å; D136-V203 HydrophobicContact CB-CG2 4.18Å; D136-V203 WeakPolarHBondContact O-CA 3.35Å; D136-K204 PolarHBondContact O-N 2.94Å
137L86.6Confident81.5Confident4 Ų437.5 Ų37.52%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-105.7149.6165-65.7-178.9000109.8L151 I152 C205 I207 L258 L267L137-L151 WeakPolarHBondContact O-CD1 3.49Å; L137-I152 HydrophobicContact CB-CB 4.1Å; L137-I152 PolarHBondContact N-O 3.1Å; L137-I152 PolarHBondContact O-N 3.28Å; L137-C205 WeakPolarHBondContact CD2-SG 3.39Å; L137-I207 HydrophobicContact CD1-CD1 4.41Å; L137-L258 HydrophobicContact CD1-CD2 4.15Å; L137-L267 HydrophobicContact CD1-CD1 3.39Å; L137-L267 HydrophobicContact CD1-CD2 3.51Å; L137-L267 HydrophobicContact CD1-CG 3.88Å; L137-L267 HydrophobicContact CD2-CD2 3.42Å; L137-L267 VanDerWaalsContact CD2-CD2 3.42Å; L137-L267 HydrophobicContact CD2-CG 4.24Å; L137-L267 HydrophobicContact CG-CD1 4.45Å; L137-L267 HydrophobicContact CG-CD2 3.61Å; L137-L267 HydrophobicContact CG-CG 4.46Å
138A91.1Very high82.4Confident0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-109.8146.2159.300000110C150 I198 V203 C205 I206 I207A138-C150 CarbonylContact C-O 3.5Å; A138-C150 WeakPolarHBondContact CA-O 3.41Å; A138-I198 HydrophobicContact CB-CD1 3.48Å; A138-I198 VanDerWaalsContact CB-CD1 3.48Å; A138-I198 HydrophobicContact CB-CG1 3.81Å; A138-I198 HydrophobicContact CB-CG2 4.11Å; A138-V203 HydrophobicContact CB-CG1 4.02Å; A138-V203 HydrophobicContact CB-CG2 4.44Å; A138-C205 PolarHBondContact N-O 2.76Å; A138-C205 VanDerWaalsContact N-O 3.14Å; A138-I206 HydrophobicContact CB-CG1 4.19Å; A138-I206 HydrophobicContact CB-CG2 4.21Å; A138-I206 CarbonylContact O-C 3.58Å; A138-I206 WeakPolarHBondContact O-CA 3.39Å; A138-I207 PolarHBondContact O-N 3.04Å
139A93.1Very high83.1Confident1 Ų135.5 Ų35.51%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-135.7136.4173.400000109.9C150 I152 I207 L254A139-C150 PolarHBondContact N-O 3.12Å; A139-C150 PolarHBondContact O-N 3.11Å; A139-I152 HydrophobicContact CB-CD1 3.82Å; A139-I207 CarbonylContact C-O 3.57Å; A139-I207 WeakPolarHBondContact CA-O 3.47Å; A139-I207 HydrophobicContact CB-CB 4.2Å; A139-L254 HydrophobicContact CB-CD2 3.54Å
140V96.3Very high83.9Confident0 Ų032.7 Ų32.70%017%0.172CC..EExtended strand (participates in β ladder)trans-116.4109.9170.8-170.40000107.6M142 Y148 V149 I190 L194 I207 L208 A209V140-M142 HydrophobicContact CG1-CG 3.63Å; V140-M142 HydrophobicContact CG1-SD 3.95Å; V140-Y148 VanDerWaalsContact CA-O 3.28Å; V140-Y148 WeakPolarHBondContact CA-O 3.37Å; V140-V149 HydrophobicContact CG1-CG2 4.41Å; V140-V149 HydrophobicContact CG2-CG2 4.37Å; V140-I190 HydrophobicContact CG1-CG2 3.87Å; V140-L194 HydrophobicContact CG2-CD2 3.42Å; V140-L194 VanDerWaalsContact CG2-CD2 3.42Å; V140-L194 HydrophobicContact CG2-CG 4.24Å; V140-I207 PolarHBondContact N-O 3.27Å; V140-L208 HydrophobicContact CB-CD2 3.88Å; V140-L208 HydrophobicContact CG2-CD2 3.95Å; V140-A209 PolarHBondContact O-N 3.46Å
141I95.8Very high84.8Confident0 Ų030.7 Ų30.70%016%0.162CC..EExtended strand (participates in β ladder)trans-96.4129.9170.7-50.2-175.8000108.4A147 Y148 A209 S248 G249 H250 A253 L254I141-A147 CarbonylContact O-C 3.5Å; I141-A147 VanDerWaalsContact O-CA 3.25Å; I141-A147 WeakPolarHBondContact O-CA 3.48Å; I141-Y148 PolarHBondContact N-O 3.33Å; I141-Y148 PolarHBondContact O-N 3.43Å; I141-A209 CarbonylContact C-O 3.47Å; I141-A209 WeakPolarHBondContact CA-O 3.38Å; I141-A209 HydrophobicContact CG1-CB 4.39Å; I141-S248 VanDerWaalsContact CG2-O 3.27Å; I141-S248 WeakPolarHBondContact CG2-O 3.23Å; I141-G249 VanDerWaalsContact CG2-C 3.49Å; I141-H250 WeakPolarHBondContact CD1-O 3.37Å; I141-A253 HydrophobicContact CD1-CB 4.15Å; I141-A253 HydrophobicContact CG2-CB 4.34Å; I141-L254 HydrophobicContact CD1-CB 3.98Å; I141-L254 HydrophobicContact CD1-CD2 3.46Å; I141-L254 VanDerWaalsContact CD1-CD2 3.46Å; I141-L254 HydrophobicContact CD1-CG 3.31Å; I141-L254 HydrophobicContact CG1-CD2 3.7Å; I141-L254 HydrophobicContact CG1-CG 4.08Å
142M96.5Very high85.8Confident0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans-129145.2-173.1-55.8174.8-77.500111.3V140 L146 A147 I190 L208 A209 S210 P211 L214 R215 F218V140-M142 HydrophobicContact CG1-CG 3.63Å; V140-M142 HydrophobicContact CG1-SD 3.95Å; M142-L146 CarbonylContact C-O 3.54Å; M142-L146 WeakPolarHBondContact CA-O 3.05Å; M142-A147 HydrophobicContact CG-CB 4.05Å; M142-I190 HydrophobicContact CG-CD1 4.22Å; M142-I190 HydrophobicContact SD-CD1 3.87Å; M142-L208 HydrophobicContact CE-CB 4.05Å; M142-L208 HydrophobicContact CE-CD2 4.48Å; M142-A209 PolarHBondContact N-O 2.98Å; M142-S210 WeakPolarHBondContact O-CA 3.26Å; M142-S210 WeakPolarHBondContact O-CB 3.38Å; M142-P211 WeakPolarHBondContact O-CD 3.47Å; M142-L214 HydrophobicContact CB-CD2 3.9Å; M142-R215 HydrophobicContact CE-CB 4.06Å; M142-F218 HydrophobicContact CE-CB 4.28Å; M142-F218 HydrophobicContact CE-CD1 3.83Å; M142-F218 HydrophobicContact CE-CG 4.3Å; M142-F218 HydrophobicContact SD-CB 4.12Å; M142-F218 HydrophobicContact SD-CD1 3.68Å; M142-F218 HydrophobicContact SD-CE1 4.28Å; M142-F218 HydrophobicContact SD-CG 3.84Å
143H94.3Very high86.8Confident91 Ų9121.9 Ų21.942%0.42111%0.106SC..EExtended strand (participates in β ladder)trans-134.7163.6158.9-178.4-79.4000107G145 L146 F186H143-G145 PolarHBondContact O-N 2.84Å; H143-L146 PolarHBondContact N-O 3.04Å; H143-L146 PolarHBondContact O-N 3.3Å; H143-F186 WeakPolarHBondContact O-CE1 3.45Å; H143-F186 WeakPolarHBondContact O-CZ 3.42Å
144E91.7Very high87.8Confident97 Ų9719.2 Ų19.245%0.4539%0.094SC..THydrogen-bonded Turntrans-55.8114.8173.6-69-171.3-179.100109.8I167 H179 L214E144-I167 HydrophobicContact CB-CD1 4.43Å; E144-H179 IonicContact OE2-CE1 3.97Å; E144-L214 HydrophobicContact CG-CD1 4.3Å; E144-L214 HydrophobicContact CG-CD2 4.49Å
145G93.2Very high88.6Confident7 Ų715.7 Ų15.77%0.0728%0.078CC..THydrogen-bonded Turntrans88.9-7.7179.200000116H143 D164 T165 I167H143-G145 PolarHBondContact O-N 2.84Å; G145-D164 CarbonylContact O-C 3.54Å; G145-D164 WeakPolarHBondContact O-CA 3.34Å; G145-T165 CarbonylContact C-O 3.54Å; G145-T165 WeakPolarHBondContact CA-O 3.3Å; G145-T165 PolarHBondContact O-N 3.13Å; G145-T165 PolarHBondContact O-OG1 3.25Å; G145-I167 VanDerWaalsContact N-CD1 3.28Å
146L96Very high89.6Confident19 Ų1915.8 Ų15.810%0.0998%0.079CC..EExtended strand (participates in β ladder)trans-135.8126.9-178.3-179.765.8000111.1M142 H143 Y148 K162 I163 D164 H250M142-L146 CarbonylContact C-O 3.54Å; M142-L146 WeakPolarHBondContact CA-O 3.05Å; H143-L146 PolarHBondContact N-O 3.04Å; H143-L146 PolarHBondContact O-N 3.3Å; L146-Y148 HydrophobicContact CD1-CE2 3.83Å; L146-Y148 HydrophobicContact CD2-CE2 3.82Å; L146-Y148 HydrophobicContact CG-CD2 4.37Å; L146-Y148 HydrophobicContact CG-CE2 3.82Å; L146-K162 VanDerWaalsContact CD1-CE 3.44Å; L146-K162 HydrophobicContact CD1-CG 4.25Å; L146-I163 CarbonylContact C-O 3.58Å; L146-I163 WeakPolarHBondContact CA-O 3.44Å; L146-D164 HydrophobicContact CD1-CB 4.48Å; L146-H250 WeakPolarHBondContact CD2-CE1 3.38Å; L146-H250 WeakPolarHBondContact CD2-ND1 3.34Å
147A96.8Very high90.2Very high0 Ų014.6 Ų14.60%07%0.072CC..EExtended strand (participates in β ladder)trans-137.8144.4171.400000112.2I141 M142 K162 I163 F186 I190I141-A147 CarbonylContact O-C 3.5Å; I141-A147 VanDerWaalsContact O-CA 3.25Å; I141-A147 WeakPolarHBondContact O-CA 3.48Å; M142-A147 HydrophobicContact CG-CB 4.05Å; A147-K162 WeakPolarHBondContact O-CA 3.44Å; A147-I163 HydrophobicContact CB-CB 4.31Å; A147-I163 PolarHBondContact N-O 3.13Å; A147-I163 PolarHBondContact O-N 3.33Å; A147-F186 HydrophobicContact CB-CE2 3.97Å; A147-F186 HydrophobicContact CB-CZ 3.75Å; A147-I190 HydrophobicContact CB-CD1 3.72Å; A147-I190 HydrophobicContact CB-CG1 3.81Å
148Y96.3Very high90.2Very high38 Ų3815.1 Ų15.115%0.1498%0.075CC..EExtended strand (participates in β ladder)trans-118.2123.8171.7-69.5-89.2000109.3V140 I141 L146 V159 A161 K162 G249V140-Y148 VanDerWaalsContact CA-O 3.28Å; V140-Y148 WeakPolarHBondContact CA-O 3.37Å; I141-Y148 PolarHBondContact N-O 3.33Å; I141-Y148 PolarHBondContact O-N 3.43Å; L146-Y148 HydrophobicContact CD1-CE2 3.83Å; L146-Y148 HydrophobicContact CD2-CE2 3.82Å; L146-Y148 HydrophobicContact CG-CD2 4.37Å; L146-Y148 HydrophobicContact CG-CE2 3.82Å; Y148-V159 HydrophobicContact CD1-CG1 3.84Å; Y148-A161 WeakPolarHBondContact CA-O 3.25Å; Y148-K162 HydrophobicContact CD1-CB 4.17Å; Y148-K162 HydrophobicContact CD1-CG 4.09Å; Y148-K162 HydrophobicContact CE1-CB 4.03Å; Y148-K162 HydrophobicContact CE1-CD 3.86Å; Y148-K162 HydrophobicContact CE1-CG 3.61Å; Y148-K162 WeakPolarHBondContact OH-CE 3.35Å; Y148-G249 WeakPolarHBondContact CD2-O 3.35Å
149V94.2Very high90.1Very high0 Ų017.6 Ų17.60%09%0.09CC..EExtended strand (participates in β ladder)trans-97.6113.8169.3-176.40000107.8V140 R160 A161 A193 L194 I198V140-V149 HydrophobicContact CG1-CG2 4.41Å; V140-V149 HydrophobicContact CG2-CG2 4.37Å; V149-R160 PolarHBondContact O-N 2.84Å; V149-A161 HydrophobicContact CB-CB 4.17Å; V149-A161 HydrophobicContact CG2-CB 4.34Å; V149-A161 PolarHBondContact N-O 3.39Å; V149-A161 PolarHBondContact O-N 3.41Å; V149-A193 HydrophobicContact CG2-CB 3.95Å; V149-L194 HydrophobicContact CG1-CD2 4.42Å; V149-I198 HydrophobicContact CG1-CD1 3.65Å; V149-I198 HydrophobicContact CG1-CG1 4.33Å
150C91.6Very high90Very high0 Ų020.9 Ų20.90%010%0.102CC..EExtended strand (participates in β ladder)trans-116.2140.1-175.6-600000110.2A138 A139 I158 L254A138-C150 CarbonylContact C-O 3.5Å; A138-C150 WeakPolarHBondContact CA-O 3.41Å; A139-C150 PolarHBondContact N-O 3.12Å; A139-C150 PolarHBondContact O-N 3.11Å; C150-I158 CarbonylContact C-O 3.57Å; C150-I158 VanDerWaalsContact CA-O 3.29Å; C150-I158 WeakPolarHBondContact CA-O 3.23Å; C150-L254 HydrophobicContact CB-CD1 3.99Å
151L88.3Confident89.8Confident15 Ų1521.7 Ų21.78%0.07911%0.109CC..EExtended strand (participates in β ladder)trans-103.7122.6164.7-170.774.8000107.2D136 L137 T153 I158 R160 V203D136-L151 HydrophobicContact CB-CD1 4.36Å; L137-L151 WeakPolarHBondContact O-CD1 3.49Å; L151-T153 HydrophobicContact CD2-CG2 4.19Å; L151-T153 HydrophobicContact CG-CG2 4.25Å; L151-I158 PolarHBondContact N-O 3.03Å; L151-I158 PolarHBondContact O-N 3.18Å; L151-R160 HydrophobicContact CB-CG 4.3Å; L151-V203 HydrophobicContact CD1-CG2 4.04Å
152I86.2Confident89.8Confident2 Ų227 Ų271%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-111.1110.6179-55.3160.2000106.3L137 A139 T157 L254 L258L137-I152 HydrophobicContact CB-CB 4.1Å; L137-I152 PolarHBondContact N-O 3.1Å; L137-I152 PolarHBondContact O-N 3.28Å; A139-I152 HydrophobicContact CB-CD1 3.82Å; I152-T157 HydrophobicContact CG1-CG2 3.94Å; I152-L254 HydrophobicContact CD1-CD1 4.18Å; I152-L254 HydrophobicContact CD1-CD2 3.97Å; I152-L254 HydrophobicContact CG1-CD1 4.45Å; I152-L258 HydrophobicContact CD1-CD1 4.28Å; I152-L258 HydrophobicContact CD1-CD2 4.01Å; I152-L258 HydrophobicContact CD1-CG 4.43Å
153T80.9Confident89.8Confident6 Ų627.8 Ų27.84%0.03714%0.136CC..  trans-96.1-174.7177730000108.9E24 L151 T155 T156E24-T153 HydrophobicContact CG-CG2 4.44Å; E24-T153 WeakPolarHBondContact OE1-CB 3.36Å; E24-T153 PolarHBondContact OE1-OG1 3.31Å; L151-T153 HydrophobicContact CD2-CG2 4.19Å; L151-T153 HydrophobicContact CG-CG2 4.25Å; T153-T155 PolarHBondContact O-N 3.12Å; T153-T156 PolarHBondContact N-O 3.46Å; T153-T156 PolarHBondContact OG1-N 2.78Å; T153-T156 PolarHBondContact OG1-O 2.96Å; T153-T156 PolarHBondContact OG1-OG1 2.91Å
154S78.2Confident89.8Confident8 Ų828.5 Ų28.56%0.05614%0.143CC..SBendtrans-62.8-3018072.50000112.8E24 Q133E24-S154 VanDerWaalsContact CD-OG 3.25Å; E24-S154 PolarHBondContact OE1-N 3.24Å; E24-S154 PolarHBondContact OE1-OG 3.28Å; E24-S154 PolarHBondContact OE2-OG 2.99Å; Q133-S154 WeakPolarHBondContact O-CB 3.38Å
155T77.8Confident89.9Confident6 Ų625.7 Ų25.74%0.03713%0.132CC..SBendtrans-125.6-12.5-173.955.20000114.4E24 T153 K271 S348E24-T155 PolarHBondContact OE1-N 3.2Å; E24-T155 PolarHBondContact OE1-OG1 3.02Å; T153-T155 PolarHBondContact O-N 3.12Å; T155-K271 HydrophobicContact CG2-CD 4.19Å; T155-S348 WeakPolarHBondContact O-CB 3.2Å; T155-S348 PolarHBondContact O-OG 3.49Å
156T83Confident89.8Confident5 Ų532.2 Ų32.23%0.03117%0.171CC..  trans-136.1153.2-173.971.20000112.1W27 T153 L350W27-T156 HydrophobicContact CG-CG2 4.19Å; T153-T156 PolarHBondContact N-O 3.46Å; T153-T156 PolarHBondContact OG1-N 2.78Å; T153-T156 PolarHBondContact OG1-O 2.96Å; T153-T156 PolarHBondContact OG1-OG1 2.91Å; T156-L350 HydrophobicContact CG2-CB 4.15Å; T156-L350 HydrophobicContact CG2-CD1 4.18Å
157T86.8Confident89.6Confident7 Ų732.4 Ų32.44%0.04317%0.172CC..EExtended strand (participates in β ladder)trans-121.9105.2169-61.30000109.7I152 L254 L350 H351 V352I152-T157 HydrophobicContact CG1-CG2 3.94Å; T157-L254 HydrophobicContact CG2-CD1 3.56Å; T157-L350 PolarHBondContact N-O 2.8Å; T157-H351 PolarHBondContact OG1-CD2 3.47Å; T157-H351 VanDerWaalsContact OG1-CD2 3.25Å; T157-V352 HydrophobicContact CG2-CG2 3.69Å
158I85.2Confident89.2Confident15 Ų1534.9 Ų34.98%0.07719%0.188CC..EExtended strand (participates in β ladder)trans-103.2122.3-174-54.9173.5000109.2C150 L151 R160C150-I158 CarbonylContact C-O 3.57Å; C150-I158 VanDerWaalsContact CA-O 3.29Å; C150-I158 WeakPolarHBondContact CA-O 3.23Å; L151-I158 PolarHBondContact N-O 3.03Å; L151-I158 PolarHBondContact O-N 3.18Å; I158-R160 HydrophobicContact CG2-CG 4.48Å; I158-R160 PolarHBondContact O-N 3.38Å
159V90.4Very high88.8Confident52 Ų5243.8 Ų43.832%0.31522%0.221SC..EExtended strand (participates in β ladder)trans-80.5109.5170.1-179.20000108.2Y148 K251Y148-V159 HydrophobicContact CD1-CG1 3.84Å; V159-K251 HydrophobicContact CG2-CD 4.13Å; V159-K251 HydrophobicContact CG2-CG 4.43Å
160R89.9Confident88.3Confident71 Ų7150.2 Ų50.227%0.26825%0.249SC..EExtended strand (participates in β ladder)trans-86.7-31.8-179.3-67.4-67.7-171.4176.50112.8E23 V149 L151 I158 H197E23-R160 IonicContact OE1-NH1 3.8Å; E23-R160 IonicContact OE1-NH2 2.76Å; E23-R160 PolarHBondContact OE1-NH2 3.1Å; E23-R160 IonicContact OE2-CZ 2.64Å; E23-R160 IonicContact OE2-NH1 3.54Å; E23-R160 IonicContact OE2-NH2 3.7Å; E23-R160 PolarHBondContact OE2-NH2 3.1Å; V149-R160 PolarHBondContact O-N 2.84Å; L151-R160 HydrophobicContact CB-CG 4.3Å; I158-R160 HydrophobicContact CG2-CG 4.48Å; I158-R160 PolarHBondContact O-N 3.38Å; R160-H197 HydrophobicContact CB-CB 3.74Å; R160-H197 HydrophobicContact CG-CB 4.29Å
161A93Very high87.8Confident17 Ų1757.3 Ų57.314%0.1428%0.276CS..EExtended strand (participates in β ladder)trans-147.1140.4174.600000111.5Y148 V149 A193Y148-A161 WeakPolarHBondContact CA-O 3.25Å; V149-A161 HydrophobicContact CB-CB 4.17Å; V149-A161 HydrophobicContact CG2-CB 4.34Å; V149-A161 PolarHBondContact N-O 3.39Å; V149-A161 PolarHBondContact O-N 3.41Å; A161-A193 HydrophobicContact CB-CB 4Å
162K95.4Very high87.5Confident112 Ų11262.9 Ų62.949%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-113.4123.1164.1-178.1-168.8175.4-151.40107.6L146 A147 Y148 D164L146-K162 VanDerWaalsContact CD1-CE 3.44Å; L146-K162 HydrophobicContact CD1-CG 4.25Å; A147-K162 WeakPolarHBondContact O-CA 3.44Å; Y148-K162 HydrophobicContact CD1-CB 4.17Å; Y148-K162 HydrophobicContact CD1-CG 4.09Å; Y148-K162 HydrophobicContact CE1-CB 4.03Å; Y148-K162 HydrophobicContact CE1-CD 3.86Å; Y148-K162 HydrophobicContact CE1-CG 3.61Å; Y148-K162 WeakPolarHBondContact OH-CE 3.35Å; K162-D164 WeakPolarHBondContact CE-OD2 3.5Å; K162-D164 IonicContact NZ-OD2 3.32Å; K162-D164 PolarHBondContact NZ-OD2 3.04Å
163I96Very high87.2Confident16 Ų1666.9 Ų66.98%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-109120176.4-60.5163.2000106.9L146 A147 F186 Q189 I190 A193L146-I163 CarbonylContact C-O 3.58Å; L146-I163 WeakPolarHBondContact CA-O 3.44Å; A147-I163 HydrophobicContact CB-CB 4.31Å; A147-I163 PolarHBondContact N-O 3.13Å; A147-I163 PolarHBondContact O-N 3.33Å; I163-F186 HydrophobicContact CB-CE2 4.41Å; I163-F186 HydrophobicContact CG2-CD2 3.82Å; I163-F186 HydrophobicContact CG2-CE2 3.81Å; I163-Q189 HydrophobicContact CD1-CB 4.32Å; I163-Q189 HydrophobicContact CG2-CB 4.03Å; I163-Q189 VanDerWaalsContact CG2-OE1 3.3Å; I163-I190 VanDerWaalsContact CD1-CA 3.47Å; I163-I190 HydrophobicContact CD1-CB 4.11Å; I163-I190 HydrophobicContact CD1-CG1 3.62Å; I163-A193 HydrophobicContact CD1-CB 3.86Å
164D95Very high86.9Confident106 Ų10670.8 Ų70.857%0.56738%0.375SS*.EExtended strand (participates in β ladder)trans-129.5115-177.8-159.7-28.9000107.7G145 L146 K162G145-D164 CarbonylContact O-C 3.54Å; G145-D164 WeakPolarHBondContact O-CA 3.34Å; L146-D164 HydrophobicContact CD1-CB 4.48Å; K162-D164 WeakPolarHBondContact CE-OD2 3.5Å; K162-D164 IonicContact NZ-OD2 3.32Å; K162-D164 PolarHBondContact NZ-OD2 3.04Å
165T93.3Very high86.9Confident37 Ų3775.6 Ų75.623%0.22741%0.406CS..  trans-141.5132.8-174.739.90000110.8G145 I167 F186G145-T165 CarbonylContact C-O 3.54Å; G145-T165 WeakPolarHBondContact CA-O 3.3Å; G145-T165 PolarHBondContact O-N 3.13Å; G145-T165 PolarHBondContact O-OG1 3.25Å; T165-I167 PolarHBondContact O-N 3.23Å; T165-F186 WeakPolarHBondContact OG1-CD2 3.45Å
166T92.3Very high87.3Confident144 Ų14478.4 Ų78.488%0.88342%0.423SS*.  trans-77.1106.7174.7-49.20000110.1
167I90.5Very high87.5Confident23 Ų2381 Ų8112%0.11845%0.445CS..PPolyproline II helixtrans-88.8123.3173.5-57.6-176.5000109E144 G145 T165 R169 L183 F186E144-I167 HydrophobicContact CB-CD1 4.43Å; G145-I167 VanDerWaalsContact N-CD1 3.28Å; T165-I167 PolarHBondContact O-N 3.23Å; I167-R169 PolarHBondContact O-N 3.43Å; I167-L183 HydrophobicContact CD1-CD1 3.81Å; I167-F186 HydrophobicContact CD1-CB 4.13Å; I167-F186 HydrophobicContact CD1-CD1 4.07Å; I167-F186 HydrophobicContact CD1-CG 4.17Å
168P89.2Confident87.5Confident52 Ų5286.9 Ų86.934%0.33847%0.472SS..PPolyproline II helixtrans-57.6133176.7-24.233.8000111.5H179P168-H179 WeakPolarHBondContact O-CB 3.34Å; P168-H179 PolarHBondContact O-ND1 3Å
169R86.7Confident87.7Confident225 Ų22586.7 Ų86.785%0.84947%0.471SS*.PPolyproline II helixtrans-68.3145.4176.8-67.4-175.6177.8-177-0.8111.1I167 R171I167-R169 PolarHBondContact O-N 3.43Å; R169-R171 PolarHBondContact O-N 2.97Å
170K85.5Confident87.7Confident136 Ų13689 Ų8959%0.59148%0.479SS*.PPolyproline II helixtrans-63.7125.9167.6-62.5-179.4-174.6175.30108.5H179K170-H179 WeakPolarHBondContact CE-CD2 3.39Å; K170-H179 WeakPolarHBondContact CE-NE2 3.31Å; K170-H179 HydrophobicContact CG-CB 4.21Å
171R80.9Confident87.8Confident149 Ų14991.7 Ų91.756%0.56249%0.492SS*.  trans-110.8137.3175-74.7-175.4-76.7178.7-4.5109.2R169 G173 L174R169-R171 PolarHBondContact O-N 2.97Å; R171-G173 PolarHBondContact O-N 3.33Å; R171-L174 HydrophobicContact CB-CB 4.43Å; R171-L174 HydrophobicContact CB-CD1 4.14Å; R171-L174 PolarHBondContact O-N 2.86Å
172P81.1Confident87.7Confident131 Ų13191.7 Ų91.785%0.85149%0.494SS*.THydrogen-bonded Turntrans-55.8131.5171.1-2031.1000110L174P172-L174 PolarHBondContact O-N 2.9Å
173G79.3Confident87.7Confident87 Ų8787.2 Ų87.290%0.89748%0.475SS*.THydrogen-bonded Turntrans81.8-0.5175.500000116.9R171R171-G173 PolarHBondContact O-N 3.33Å
174L75.3Confident87.5Confident87 Ų8788.7 Ų88.746%0.45549%0.487SS..SBendtrans-108.9149.4170.7-82.389.5000111.7R171 P172 T176R171-L174 HydrophobicContact CB-CB 4.43Å; R171-L174 HydrophobicContact CB-CD1 4.14Å; R171-L174 PolarHBondContact O-N 2.86Å; P172-L174 PolarHBondContact O-N 2.9Å; L174-T176 PolarHBondContact O-N 3.22Å
175P78.1Confident87.5Confident109 Ų10990.6 Ų90.671%0.70849%0.486SS*.  trans-56.5133.1174.9-24.233.5000112.4A177P175-A177 HydrophobicContact CB-CB 4.5Å; P175-A177 PolarHBondContact O-N 3.42Å
176T85.9Confident87.7Confident65 Ų6588.9 Ų88.940%0.39948%0.475SS..THydrogen-bonded Turntrans-70-8.717753.50000113.5L174 Q178 H179 E180L174-T176 PolarHBondContact O-N 3.22Å; T176-Q178 VanDerWaalsContact C-N 3.26Å; T176-Q178 PolarHBondContact O-N 3.14Å; T176-Q178 VanDerWaalsContact O-N 3.12Å; T176-H179 WeakPolarHBondContact O-CB 3.22Å; T176-H179 PolarHBondContact O-N 2.9Å; T176-E180 WeakPolarHBondContact CB-OE1 3.39Å; T176-E180 PolarHBondContact O-N 2.9Å; T176-E180 PolarHBondContact OG1-OE1 2.91Å
177A87.1Confident87.9Confident60 Ų6082.3 Ų82.350%0.49644%0.435SS..Hα-helixtrans-53.4-35.6-175.800000114.3P175 K181P175-A177 HydrophobicContact CB-CB 4.5Å; P175-A177 PolarHBondContact O-N 3.42Å; A177-K181 VanDerWaalsContact O-CB 3.23Å; A177-K181 WeakPolarHBondContact O-CB 3.27Å; A177-K181 PolarHBondContact O-N 3.4Å
178Q87.7Confident88.1Confident130 Ų13084.8 Ų84.861%0.60745%0.446SS*.Hα-helixtrans-69.9-38.9177.2-70.5-174.2-3.500112.5T176 G182T176-Q178 VanDerWaalsContact C-N 3.26Å; T176-Q178 PolarHBondContact O-N 3.14Å; T176-Q178 VanDerWaalsContact O-N 3.12Å; Q178-G182 PolarHBondContact O-N 3.18Å
179H89.1Confident88.5Confident11 Ų1186 Ų865%0.05145%0.447CS..Hα-helixtrans-67.2-48.3177173.585.2000110.4E144 P168 K170 T176 K181 G182 L183E144-H179 IonicContact OE2-CE1 3.97Å; P168-H179 WeakPolarHBondContact O-CB 3.34Å; P168-H179 PolarHBondContact O-ND1 3Å; K170-H179 WeakPolarHBondContact CE-CD2 3.39Å; K170-H179 WeakPolarHBondContact CE-NE2 3.31Å; K170-H179 HydrophobicContact CG-CB 4.21Å; T176-H179 WeakPolarHBondContact O-CB 3.22Å; T176-H179 PolarHBondContact O-N 2.9Å; H179-K181 PolarHBondContact O-N 2.74Å; H179-G182 WeakPolarHBondContact O-CA 3.35Å; H179-G182 PolarHBondContact O-N 2.92Å; H179-G182 VanDerWaalsContact O-N 3.1Å; H179-L183 PolarHBondContact O-N 2.84Å
180E90.2Very high88.9Confident101 Ų10175.3 Ų75.347%0.47241%0.406SS..Hα-helixtrans-59.4-44.8177.8-71.5166.3-154.300111.8T176 G182 L183 S184T176-E180 WeakPolarHBondContact CB-OE1 3.39Å; T176-E180 PolarHBondContact O-N 2.9Å; T176-E180 PolarHBondContact OG1-OE1 2.91Å; E180-G182 VanDerWaalsContact C-N 3.3Å; E180-G182 PolarHBondContact O-N 3.02Å; E180-L183 PolarHBondContact O-N 2.8Å; E180-S184 PolarHBondContact O-N 3.36Å; E180-S184 PolarHBondContact O-OG 2.75Å; E180-S184 VanDerWaalsContact O-OG 3.14Å
181K91.7Very high89.4Confident127 Ų12769 Ų6955%0.55238%0.379SS*.Hα-helixtrans-63.2-35.6175.3-172.2174.9-175.9174.70112.7A177 H179 R185A177-K181 VanDerWaalsContact O-CB 3.23Å; A177-K181 WeakPolarHBondContact O-CB 3.27Å; A177-K181 PolarHBondContact O-N 3.4Å; H179-K181 PolarHBondContact O-N 2.74Å; K181-R185 WeakPolarHBondContact O-CG 3.37Å; K181-R185 PolarHBondContact O-N 3.34Å
182G92.3Very high90Very high17 Ų1766.7 Ų66.718%0.17538%0.375CS..Hα-helixtrans-63.6-45.3173.100000111.7Q178 H179 E180 R185 F186Q178-G182 PolarHBondContact O-N 3.18Å; H179-G182 WeakPolarHBondContact O-CA 3.35Å; H179-G182 PolarHBondContact O-N 2.92Å; H179-G182 VanDerWaalsContact O-N 3.1Å; E180-G182 VanDerWaalsContact C-N 3.3Å; E180-G182 PolarHBondContact O-N 3.02Å; G182-R185 PolarHBondContact O-N 3.22Å; G182-F186 PolarHBondContact O-N 3.03Å
183L93.7Very high90.7Very high18 Ų1860.9 Ų60.99%0.09434%0.338CS..Hα-helixtrans-65.1-43.5178.9-166.268.8000112.3I167 H179 E180 R185 F186 F187 L214I167-L183 HydrophobicContact CD1-CD1 3.81Å; H179-L183 PolarHBondContact O-N 2.84Å; E180-L183 PolarHBondContact O-N 2.8Å; L183-R185 VanDerWaalsContact C-N 3.34Å; L183-R185 PolarHBondContact O-N 3.09Å; L183-F186 HydrophobicContact CD1-CD1 4.33Å; L183-F186 WeakPolarHBondContact O-CB 3.18Å; L183-F186 PolarHBondContact O-N 2.76Å; L183-F187 HydrophobicContact CD1-CE1 3.96Å; L183-F187 HydrophobicContact CD1-CE2 4.34Å; L183-F187 HydrophobicContact CD1-CZ 3.8Å; L183-F187 HydrophobicContact CD2-CE2 3.88Å; L183-F187 HydrophobicContact CD2-CZ 3.9Å; L183-F187 HydrophobicContact CG-CD2 4.24Å; L183-F187 HydrophobicContact CG-CE1 4.18Å; L183-F187 HydrophobicContact CG-CE2 3.68Å; L183-F187 HydrophobicContact CG-CZ 3.66Å; L183-F187 WeakPolarHBondContact O-CG 3.28Å; L183-F187 PolarHBondContact O-N 3.25Å; L183-L214 HydrophobicContact CD1-CD1 3.98Å
184S93.7Very high91.3Very high47 Ų4756.7 Ų56.733%0.32930%0.295SS..Hα-helixtrans-60.6-42.2175.8-560000112.3E180 F187 E188E180-S184 PolarHBondContact O-N 3.36Å; E180-S184 PolarHBondContact O-OG 2.75Å; E180-S184 VanDerWaalsContact O-OG 3.14Å; S184-F187 PolarHBondContact O-N 3.3Å; S184-E188 WeakPolarHBondContact O-CG 3.38Å; S184-E188 PolarHBondContact O-N 3.25Å
185R94.6Very high92.1Very high147 Ų14757 Ų5756%0.55529%0.294SS*.Hα-helixtrans-63.3-41.6175.6-74.5173.6174.7-178.1-4.8112.1K181 G182 L183 E188 Q189K181-R185 WeakPolarHBondContact O-CG 3.37Å; K181-R185 PolarHBondContact O-N 3.34Å; G182-R185 PolarHBondContact O-N 3.22Å; L183-R185 VanDerWaalsContact C-N 3.34Å; L183-R185 PolarHBondContact O-N 3.09Å; R185-E188 PolarHBondContact O-N 2.75Å; R185-Q189 WeakPolarHBondContact O-CG 3.28Å; R185-Q189 PolarHBondContact O-N 3.02Å; R185-Q189 VanDerWaalsContact O-N 3.08Å
186F96.3Very high92.7Very high0 Ų060.6 Ų60.60%029%0.294CS..Hα-helixtrans-61-46.1175.6172.7-118.6000111.3H143 A147 I163 T165 I167 G182 L183 E188 Q189 I190H143-F186 WeakPolarHBondContact O-CE1 3.45Å; H143-F186 WeakPolarHBondContact O-CZ 3.42Å; A147-F186 HydrophobicContact CB-CE2 3.97Å; A147-F186 HydrophobicContact CB-CZ 3.75Å; I163-F186 HydrophobicContact CB-CE2 4.41Å; I163-F186 HydrophobicContact CG2-CD2 3.82Å; I163-F186 HydrophobicContact CG2-CE2 3.81Å; T165-F186 WeakPolarHBondContact OG1-CD2 3.45Å; I167-F186 HydrophobicContact CD1-CB 4.13Å; I167-F186 HydrophobicContact CD1-CD1 4.07Å; I167-F186 HydrophobicContact CD1-CG 4.17Å; G182-F186 PolarHBondContact O-N 3.03Å; L183-F186 HydrophobicContact CD1-CD1 4.33Å; L183-F186 WeakPolarHBondContact O-CB 3.18Å; L183-F186 PolarHBondContact O-N 2.76Å; F186-E188 PolarHBondContact O-N 2.83Å; F186-Q189 WeakPolarHBondContact O-CB 3.39Å; F186-Q189 PolarHBondContact O-N 3.36Å; F186-I190 HydrophobicContact CD1-CD1 4.06Å; F186-I190 HydrophobicContact CD2-CD1 4.39Å; F186-I190 HydrophobicContact CE1-CD1 3.67Å; F186-I190 HydrophobicContact CE2-CD1 4.04Å; F186-I190 HydrophobicContact CE2-CG1 4.39Å; F186-I190 HydrophobicContact CG-CD1 4.43Å; F186-I190 HydrophobicContact CZ-CD1 3.68Å; F186-I190 HydrophobicContact CZ-CG1 4.48Å; F186-I190 WeakPolarHBondContact O-CG1 3.41Å; F186-I190 PolarHBondContact O-N 3.32Å; F186-I190 VanDerWaalsContact O-N 3.1Å
187F96.9Very high92.7Very high7 Ų760.7 Ų60.73%0.03129%0.289CS..Hα-helixtrans-63.5-39.2175.9-66.3-20.2000113.2L183 S184 Q189 I190 M191 L214 Q217 F218 F221L183-F187 HydrophobicContact CD1-CE1 3.96Å; L183-F187 HydrophobicContact CD1-CE2 4.34Å; L183-F187 HydrophobicContact CD1-CZ 3.8Å; L183-F187 HydrophobicContact CD2-CE2 3.88Å; L183-F187 HydrophobicContact CD2-CZ 3.9Å; L183-F187 HydrophobicContact CG-CD2 4.24Å; L183-F187 HydrophobicContact CG-CE1 4.18Å; L183-F187 HydrophobicContact CG-CE2 3.68Å; L183-F187 HydrophobicContact CG-CZ 3.66Å; L183-F187 WeakPolarHBondContact O-CG 3.28Å; L183-F187 PolarHBondContact O-N 3.25Å; S184-F187 PolarHBondContact O-N 3.3Å; F187-Q189 VanDerWaalsContact C-N 3.32Å; F187-Q189 PolarHBondContact O-N 3.33Å; F187-I190 HydrophobicContact CD1-CD1 4.3Å; F187-I190 PolarHBondContact O-N 2.86Å; F187-M191 PolarHBondContact O-N 3.32Å; F187-L214 HydrophobicContact CE1-CD1 3.76Å; F187-L214 HydrophobicContact CE1-CG 4.32Å; F187-L214 HydrophobicContact CZ-CD1 3.66Å; F187-L214 HydrophobicContact CZ-CG 4.5Å; F187-Q217 HydrophobicContact CE2-CB 4.33Å; F187-Q217 HydrophobicContact CZ-CB 4.22Å; F187-F218 HydrophobicContact CB-CD2 3.82Å; F187-F218 HydrophobicContact CB-CE2 4.13Å; F187-F218 HydrophobicContact CD1-CB 4.11Å; F187-F218 AromaticContact CD1-CD2 3.54Å; F187-F218 HydrophobicContact CD1-CD2 3.54Å; F187-F218 HydrophobicContact CD1-CE2 4.44Å; F187-F218 HydrophobicContact CD1-CG 4.23Å; F187-F218 HydrophobicContact CD2-CD2 4.45Å; F187-F218 HydrophobicContact CE1-CB 3.82Å; F187-F218 HydrophobicContact CE1-CD2 4.14Å; F187-F218 HydrophobicContact CE1-CG 4.4Å; F187-F218 AromaticContact CG-CD2 3.71Å; F187-F218 HydrophobicContact CG-CD2 3.71Å; F187-F218 HydrophobicContact CG-CE2 4.49Å; F187-F218 HydrophobicContact CZ-CB 4.05Å; F187-F221 HydrophobicContact CB-CD1 3.42Å; F187-F221 VanDerWaalsContact CB-CD1 3.42Å; F187-F221 HydrophobicContact CB-CE1 3.52Å; F187-F221 HydrophobicContact CB-CG 4.04Å; F187-F221 HydrophobicContact CB-CZ 4.23Å; F187-F221 HydrophobicContact CD2-CB 3.85Å; F187-F221 HydrophobicContact CD2-CD1 4Å; F187-F221 HydrophobicContact CD2-CD2 4.14Å; F187-F221 AromaticContact CD2-CG 3.72Å; F187-F221 HydrophobicContact CD2-CG 3.72Å; F187-F221 HydrophobicContact CE2-CB 4.37Å; F187-F221 HydrophobicContact CG-CD1 4.16Å; F187-F221 HydrophobicContact CG-CG 4.34Å
188E95.4Very high92.7Very high75 Ų7558.2 Ų58.235%0.3527%0.268SS..Hα-helixtrans-59.9-41.4173.6-75.6175.3178.300112S184 R185 F186 I190 M191 Q192 F221S184-E188 WeakPolarHBondContact O-CG 3.38Å; S184-E188 PolarHBondContact O-N 3.25Å; R185-E188 PolarHBondContact O-N 2.75Å; F186-E188 PolarHBondContact O-N 2.83Å; E188-I190 VanDerWaalsContact C-N 3.35Å; E188-M191 PolarHBondContact O-N 3.41Å; E188-Q192 WeakPolarHBondContact O-CG 3.31Å; E188-Q192 PolarHBondContact O-N 2.85Å; E188-F221 HydrophobicContact CG-CE1 4.04Å; E188-F221 HydrophobicContact CG-CZ 3.83Å
189Q96.4Very high92.5Very high77 Ų7759.8 Ų59.836%0.3627%0.268SS..Hα-helixtrans-63.6-39.6175.8-71.3177.2-800112.1I163 R185 F186 F187 Q192 A193I163-Q189 HydrophobicContact CD1-CB 4.32Å; I163-Q189 HydrophobicContact CG2-CB 4.03Å; I163-Q189 VanDerWaalsContact CG2-OE1 3.3Å; R185-Q189 WeakPolarHBondContact O-CG 3.28Å; R185-Q189 PolarHBondContact O-N 3.02Å; R185-Q189 VanDerWaalsContact O-N 3.08Å; F186-Q189 WeakPolarHBondContact O-CB 3.39Å; F186-Q189 PolarHBondContact O-N 3.36Å; F187-Q189 VanDerWaalsContact C-N 3.32Å; F187-Q189 PolarHBondContact O-N 3.33Å; Q189-Q192 PolarHBondContact O-N 3.32Å; Q189-A193 WeakPolarHBondContact O-CB 3.48Å; Q189-A193 PolarHBondContact O-N 3.1Å
190I96.5Very high92.3Very high0 Ų059.8 Ų59.80%027%0.268CS..Hα-helixtrans-64.1-45.6175.7-62167.5000110.6V140 M142 A147 I163 F186 F187 E188 Q192 A193 L194 F218V140-I190 HydrophobicContact CG1-CG2 3.87Å; M142-I190 HydrophobicContact CG-CD1 4.22Å; M142-I190 HydrophobicContact SD-CD1 3.87Å; A147-I190 HydrophobicContact CB-CD1 3.72Å; A147-I190 HydrophobicContact CB-CG1 3.81Å; I163-I190 VanDerWaalsContact CD1-CA 3.47Å; I163-I190 HydrophobicContact CD1-CB 4.11Å; I163-I190 HydrophobicContact CD1-CG1 3.62Å; F186-I190 HydrophobicContact CD1-CD1 4.06Å; F186-I190 HydrophobicContact CD2-CD1 4.39Å; F186-I190 HydrophobicContact CE1-CD1 3.67Å; F186-I190 HydrophobicContact CE2-CD1 4.04Å; F186-I190 HydrophobicContact CE2-CG1 4.39Å; F186-I190 HydrophobicContact CG-CD1 4.43Å; F186-I190 HydrophobicContact CZ-CD1 3.68Å; F186-I190 HydrophobicContact CZ-CG1 4.48Å; F186-I190 WeakPolarHBondContact O-CG1 3.41Å; F186-I190 PolarHBondContact O-N 3.32Å; F186-I190 VanDerWaalsContact O-N 3.1Å; F187-I190 HydrophobicContact CD1-CD1 4.3Å; F187-I190 PolarHBondContact O-N 2.86Å; E188-I190 VanDerWaalsContact C-N 3.35Å; I190-Q192 VanDerWaalsContact C-N 3.32Å; I190-Q192 PolarHBondContact O-N 2.91Å; I190-A193 PolarHBondContact O-N 2.94Å; I190-L194 HydrophobicContact CG2-CD1 4.34Å; I190-L194 HydrophobicContact CG2-CG 4.49Å; I190-L194 WeakPolarHBondContact O-CG 3.26Å; I190-L194 PolarHBondContact O-N 3.04Å; I190-F218 HydrophobicContact CB-CE2 3.79Å; I190-F218 HydrophobicContact CB-CZ 3.91Å; I190-F218 HydrophobicContact CD1-CD2 4.49Å; I190-F218 HydrophobicContact CD1-CE2 4.43Å; I190-F218 HydrophobicContact CG2-CE1 3.93Å; I190-F218 HydrophobicContact CG2-CE2 3.76Å; I190-F218 HydrophobicContact CG2-CZ 3.35Å
191M95.1Very high92Very high4 Ų461 Ų612%0.0228%0.278CS..Hα-helixtrans-59-42.5176.1-72.9-175.369.900112.3F187 E188 A193 L194 E195 F218 F221 M222 T225 F234F187-M191 PolarHBondContact O-N 3.32Å; E188-M191 PolarHBondContact O-N 3.41Å; M191-A193 VanDerWaalsContact C-N 3.35Å; M191-L194 PolarHBondContact O-N 3.14Å; M191-E195 PolarHBondContact O-N 2.67Å; M191-F218 HydrophobicContact CG-CE2 3.99Å; M191-F218 HydrophobicContact CG-CZ 4.12Å; M191-F221 HydrophobicContact SD-CD1 4.14Å; M191-F221 HydrophobicContact SD-CE1 4.02Å; M191-M222 HydrophobicContact CE-CB 4.45Å; M191-M222 HydrophobicContact CE-CG 3.88Å; M191-M222 HydrophobicContact CG-CB 4.37Å; M191-M222 HydrophobicContact CG-CG 4.1Å; M191-M222 HydrophobicContact SD-CB 4.14Å; M191-M222 HydrophobicContact SD-CG 4.1Å; M191-T225 HydrophobicContact CE-CG2 4.02Å; M191-T225 HydrophobicContact SD-CG2 4.04Å; M191-F234 HydrophobicContact CE-CD2 4.35Å; M191-F234 HydrophobicContact CE-CE2 4.22Å; M191-F234 HydrophobicContact CE-CZ 4.49Å
192Q94.5Very high91.5Very high100 Ų10058.3 Ų58.347%0.46727%0.269SS..Hα-helixtrans-64.8-38.4176.4-71.7174.118.600112.2E188 Q189 I190 E195 R196E188-Q192 WeakPolarHBondContact O-CG 3.31Å; E188-Q192 PolarHBondContact O-N 2.85Å; Q189-Q192 PolarHBondContact O-N 3.32Å; I190-Q192 VanDerWaalsContact C-N 3.32Å; I190-Q192 PolarHBondContact O-N 2.91Å; Q192-E195 PolarHBondContact O-N 2.93Å; Q192-R196 WeakPolarHBondContact O-CB 3.24Å; Q192-R196 PolarHBondContact O-N 3.46Å
193A94.3Very high91Very high9 Ų957.6 Ų57.67%0.07426%0.261CS..Hα-helixtrans-67.5-41.1176.400000112V149 A161 I163 Q189 I190 M191 R196 H197V149-A193 HydrophobicContact CG2-CB 3.95Å; A161-A193 HydrophobicContact CB-CB 4Å; I163-A193 HydrophobicContact CD1-CB 3.86Å; Q189-A193 WeakPolarHBondContact O-CB 3.48Å; Q189-A193 PolarHBondContact O-N 3.1Å; I190-A193 PolarHBondContact O-N 2.94Å; M191-A193 VanDerWaalsContact C-N 3.35Å; A193-R196 PolarHBondContact O-N 3.38Å; A193-H197 WeakPolarHBondContact O-CB 3.34Å; A193-H197 PolarHBondContact O-CD2 2.82Å; A193-H197 VanDerWaalsContact O-CD2 3.23Å; A193-H197 PolarHBondContact O-N 3.25Å
194L93.3Very high90.5Very high0 Ų062.2 Ų62.20%028%0.28CS..Hα-helixtrans-57.2-50173.4-75.1171.4000110.9V140 V149 I190 M191 R196 H197 I198 F200 I206 F218 M222 F234 F241V140-L194 HydrophobicContact CG2-CD2 3.42Å; V140-L194 VanDerWaalsContact CG2-CD2 3.42Å; V140-L194 HydrophobicContact CG2-CG 4.24Å; V149-L194 HydrophobicContact CG1-CD2 4.42Å; I190-L194 HydrophobicContact CG2-CD1 4.34Å; I190-L194 HydrophobicContact CG2-CG 4.49Å; I190-L194 WeakPolarHBondContact O-CG 3.26Å; I190-L194 PolarHBondContact O-N 3.04Å; M191-L194 PolarHBondContact O-N 3.14Å; L194-R196 VanDerWaalsContact C-N 3.32Å; L194-R196 PolarHBondContact O-N 3.47Å; L194-H197 PolarHBondContact O-N 3.31Å; L194-I198 HydrophobicContact CD2-CD1 3.23Å; L194-I198 HydrophobicContact CG-CD1 4.43Å; L194-I198 WeakPolarHBondContact O-CB 3.3Å; L194-I198 PolarHBondContact O-N 2.86Å; L194-F200 HydrophobicContact CB-CZ 4.47Å; L194-I206 HydrophobicContact CD2-CG2 4.4Å; L194-F218 HydrophobicContact CD1-CE1 4.21Å; L194-F218 HydrophobicContact CD1-CZ 3.98Å; L194-M222 HydrophobicContact CD1-SD 4.29Å; L194-F234 HydrophobicContact CB-CE1 4.2Å; L194-F234 HydrophobicContact CB-CZ 4.21Å; L194-F234 HydrophobicContact CD1-CE1 4.1Å; L194-F241 HydrophobicContact CD1-CE1 4.48Å
195E90.9Very high90.3Very high94 Ų9460.2 Ų60.244%0.43927%0.266SS..Hα-helixtrans-63.8-35.3-179.5-172.9171.8-167.100113M191 Q192 K231 F234M191-E195 PolarHBondContact O-N 2.67Å; Q192-E195 PolarHBondContact O-N 2.93Å; E195-K231 IonicContact OE1-NZ 3.81Å; E195-K231 IonicContact OE2-NZ 2.7Å; E195-K231 PolarHBondContact OE2-NZ 3.01Å; E195-F234 HydrophobicContact CB-CE2 4.49Å; E195-F234 HydrophobicContact CB-CZ 4.4Å
196R90.1Very high90.1Very high184 Ų18453.2 Ų53.269%0.69424%0.24SC*.Hα-helixtrans-77.1-36.9-179.4-174.1178.2-63.6163.12.9113.4Q192 A193 L194Q192-R196 WeakPolarHBondContact O-CB 3.24Å; Q192-R196 PolarHBondContact O-N 3.46Å; A193-R196 PolarHBondContact O-N 3.38Å; L194-R196 VanDerWaalsContact C-N 3.32Å; L194-R196 PolarHBondContact O-N 3.47Å
197H87.2Confident90Very high66 Ų6653.2 Ų53.231%0.30624%0.24SC..Hα-helixtrans-111.5-15.8-165.5-63.6-63.9000114.5R160 A193 L194R160-H197 HydrophobicContact CB-CB 3.74Å; R160-H197 HydrophobicContact CG-CB 4.29Å; A193-H197 WeakPolarHBondContact O-CB 3.34Å; A193-H197 PolarHBondContact O-CD2 2.82Å; A193-H197 VanDerWaalsContact O-CD2 3.23Å; A193-H197 PolarHBondContact O-N 3.25Å; L194-H197 PolarHBondContact O-N 3.31Å
198I86.3Confident90Very high8 Ų852.9 Ų52.94%0.04124%0.238CC..  trans-112.7124.2-177.9-68157.8000110.3A138 V149 L194 F200 V203 I206A138-I198 HydrophobicContact CB-CD1 3.48Å; A138-I198 VanDerWaalsContact CB-CD1 3.48Å; A138-I198 HydrophobicContact CB-CG1 3.81Å; A138-I198 HydrophobicContact CB-CG2 4.11Å; V149-I198 HydrophobicContact CG1-CD1 3.65Å; V149-I198 HydrophobicContact CG1-CG1 4.33Å; L194-I198 HydrophobicContact CD2-CD1 3.23Å; L194-I198 HydrophobicContact CG-CD1 4.43Å; L194-I198 WeakPolarHBondContact O-CB 3.3Å; L194-I198 PolarHBondContact O-N 2.86Å; I198-F200 HydrophobicContact CG2-CD2 4.4Å; I198-F200 HydrophobicContact CG2-CE2 4.41Å; I198-F200 WeakPolarHBondContact O-CD2 3.43Å; I198-F200 PolarHBondContact O-N 3.12Å; I198-V203 HydrophobicContact CG2-CB 4.47Å; I198-V203 HydrophobicContact CG2-CG2 4.02Å; I198-I206 HydrophobicContact CG2-CD1 4.27Å
199R84.4Confident90Very high163 Ų16349.4 Ų49.462%0.61522%0.222SC*.  trans-87.5101.2169.9-73.5-169-61.5-174.64.8109.2D201 I202 V203R199-D201 WeakPolarHBondContact CB-OD1 3.09Å; R199-D201 PolarHBondContact O-N 2.99Å; R199-I202 HydrophobicContact CB-CB 4.48Å; R199-I202 HydrophobicContact CB-CD1 4.27Å; R199-I202 HydrophobicContact CB-CG1 4.36Å; R199-I202 VanDerWaalsContact NE-CD1 3.29Å; R199-I202 PolarHBondContact O-N 2.98Å; R199-V203 PolarHBondContact O-N 2.85Å
200F85.6Confident90.1Very high11 Ų1145.7 Ų45.75%0.04821%0.205CC..THydrogen-bonded Turntrans-66.3-21-174.4-70.1-98.6000113.4L194 I198 I206 V233 F234 N237 K240 F241L194-F200 HydrophobicContact CB-CZ 4.47Å; I198-F200 HydrophobicContact CG2-CD2 4.4Å; I198-F200 HydrophobicContact CG2-CE2 4.41Å; I198-F200 WeakPolarHBondContact O-CD2 3.43Å; I198-F200 PolarHBondContact O-N 3.12Å; F200-I206 HydrophobicContact CD1-CD1 3.45Å; F200-I206 VanDerWaalsContact CD1-CD1 3.45Å; F200-I206 HydrophobicContact CE1-CD1 3.22Å; F200-I206 HydrophobicContact CZ-CD1 4.15Å; F200-V233 HydrophobicContact CB-CG1 4.1Å; F200-V233 HydrophobicContact CD1-CG1 4.22Å; F200-V233 HydrophobicContact CD2-CG1 3.24Å; F200-V233 HydrophobicContact CE1-CG1 4.49Å; F200-V233 HydrophobicContact CE2-CG1 3.61Å; F200-V233 HydrophobicContact CG-CG1 3.59Å; F200-V233 HydrophobicContact CZ-CG1 4.22Å; F200-F234 HydrophobicContact CE1-CD1 4.33Å; F200-F234 HydrophobicContact CE1-CE1 4.29Å; F200-F234 HydrophobicContact CZ-CD1 4.15Å; F200-F234 AromaticContact CZ-CE1 3.72Å; F200-F234 HydrophobicContact CZ-CE1 3.72Å; F200-F234 HydrophobicContact CZ-CZ 4.17Å; F200-N237 HydrophobicContact CD1-CB 3.91Å; F200-K240 PolarHBondContact O-NZ 2.87Å; F200-F241 HydrophobicContact CE1-CE2 4.25Å; F200-F241 AromaticContact CE1-CZ 3.82Å; F200-F241 HydrophobicContact CE1-CZ 3.82Å
201D82.6Confident90Very high128 Ų12847.5 Ų47.568%0.68422%0.216SC*.THydrogen-bonded Turntrans-69.9-36.9174.954.7-45.8000112.7R199R199-D201 WeakPolarHBondContact CB-OD1 3.09Å; R199-D201 PolarHBondContact O-N 2.99Å
202I81.5Confident89.9Confident70 Ų7049.1 Ų49.136%0.35924%0.235SC..THydrogen-bonded Turntrans-88.5-41.2-176.3-58.4-179.7000111.6D136 R199 K204D136-I202 HydrophobicContact CB-CG2 4.32Å; R199-I202 HydrophobicContact CB-CB 4.48Å; R199-I202 HydrophobicContact CB-CD1 4.27Å; R199-I202 HydrophobicContact CB-CG1 4.36Å; R199-I202 VanDerWaalsContact NE-CD1 3.29Å; R199-I202 PolarHBondContact O-N 2.98Å; I202-K204 PolarHBondContact O-N 3.38Å
203V82.4Confident89.9Confident2 Ų252 Ų521%0.01225%0.246CC..  trans-69.1130.4-174.3171.80000111.1D136 A138 L151 I198 R199 C205 I206 K240D136-V203 HydrophobicContact CB-CG2 4.18Å; D136-V203 WeakPolarHBondContact O-CA 3.35Å; A138-V203 HydrophobicContact CB-CG1 4.02Å; A138-V203 HydrophobicContact CB-CG2 4.44Å; L151-V203 HydrophobicContact CD1-CG2 4.04Å; I198-V203 HydrophobicContact CG2-CB 4.47Å; I198-V203 HydrophobicContact CG2-CG2 4.02Å; R199-V203 PolarHBondContact O-N 2.85Å; V203-C205 WeakPolarHBondContact CG1-O 3.28Å; V203-I206 HydrophobicContact CG1-CG1 4.04Å; V203-K240 PolarHBondContact O-NZ 3.01Å
204K82.9Confident89.9Confident115 Ų11552 Ų5250%0.525%0.245SC..SBendtrans-72.1-45.9178.8-68-172.7-174.5173.60111.8A135 D136 I202A135-K204 HydrophobicContact CB-CD 3.92Å; A135-K204 VanDerWaalsContact CB-NZ 3.32Å; D136-K204 PolarHBondContact O-N 2.94Å; I202-K204 PolarHBondContact O-N 3.38Å
205C88.2Confident90.1Very high5 Ų553.6 Ų53.63%0.03425%0.251CS..  trans-149.3156.9175.261.40000112.9L137 A138 V203 K240 M242L137-C205 WeakPolarHBondContact CD2-SG 3.39Å; A138-C205 PolarHBondContact N-O 2.76Å; A138-C205 VanDerWaalsContact N-O 3.14Å; V203-C205 WeakPolarHBondContact CG1-O 3.28Å; C205-K240 WeakPolarHBondContact CA-O 3.17Å; C205-K240 WeakPolarHBondContact CB-O 3.33Å; C205-M242 HydrophobicContact CB-CE 3.95Å; C205-M242 HydrophobicContact CB-SD 4.44Å; C205-M242 WeakPolarHBondContact SG-CE 3.41Å
206I92.2Very high90.3Very high0 Ų051.6 Ų51.60%024%0.241CC..EExtended strand (participates in β ladder)trans-118.4113.4-178.7-53.5178.7000108.1A138 L194 I198 F200 V203 L208 K240 F241 M242A138-I206 HydrophobicContact CB-CG1 4.19Å; A138-I206 HydrophobicContact CB-CG2 4.21Å; A138-I206 CarbonylContact O-C 3.58Å; A138-I206 WeakPolarHBondContact O-CA 3.39Å; L194-I206 HydrophobicContact CD2-CG2 4.4Å; I198-I206 HydrophobicContact CG2-CD1 4.27Å; F200-I206 HydrophobicContact CD1-CD1 3.45Å; F200-I206 VanDerWaalsContact CD1-CD1 3.45Å; F200-I206 HydrophobicContact CE1-CD1 3.22Å; F200-I206 HydrophobicContact CZ-CD1 4.15Å; V203-I206 HydrophobicContact CG1-CG1 4.04Å; I206-L208 HydrophobicContact CG2-CD2 4.46Å; I206-K240 PolarHBondContact N-O 3.16Å; I206-F241 HydrophobicContact CB-CD1 3.91Å; I206-F241 HydrophobicContact CB-CE1 4.04Å; I206-F241 HydrophobicContact CB-CG 4.48Å; I206-F241 HydrophobicContact CD1-CE1 4Å; I206-F241 HydrophobicContact CD1-CE2 4.35Å; I206-F241 HydrophobicContact CD1-CZ 3.88Å; I206-F241 HydrophobicContact CG2-CD1 3.84Å; I206-F241 HydrophobicContact CG2-CE1 3.71Å; I206-F241 CarbonylContact O-C 3.53Å; I206-F241 VanDerWaalsContact O-CA 3.28Å; I206-F241 WeakPolarHBondContact O-CA 3.4Å; I206-M242 PolarHBondContact O-N 2.83Å
207I93.7Very high90.6Very high0 Ų047 Ų470%023%0.228CC..EExtended strand (participates in β ladder)trans-88.6129.6-179.4-56.6165.3000109.2L137 A138 A139 V140 A209 M242 V244 V257 V263L137-I207 HydrophobicContact CD1-CD1 4.41Å; A138-I207 PolarHBondContact O-N 3.04Å; A139-I207 CarbonylContact C-O 3.57Å; A139-I207 WeakPolarHBondContact CA-O 3.47Å; A139-I207 HydrophobicContact CB-CB 4.2Å; V140-I207 PolarHBondContact N-O 3.27Å; I207-A209 HydrophobicContact CG2-CB 4.42Å; I207-M242 CarbonylContact C-O 3.53Å; I207-M242 HydrophobicContact CD1-CE 4.47Å; I207-M242 HydrophobicContact CG1-CE 3.79Å; I207-V244 HydrophobicContact CG2-CB 3.99Å; I207-V244 HydrophobicContact CG2-CG2 3.66Å; I207-V257 HydrophobicContact CD1-CG1 4.3Å; I207-V257 HydrophobicContact CG2-CG1 3.53Å; I207-V263 HydrophobicContact CD1-CG1 3.59Å; I207-V263 HydrophobicContact CD1-CG2 4.12Å; I207-V263 HydrophobicContact CG1-CG2 4.46Å
208L96.3Very high91.1Very high0 Ų043.9 Ų43.90%021%0.213CC..EExtended strand (participates in β ladder)trans-110.4109.4170.7-57.3-179.6000107.8V140 M142 I206 R215 F218 F219 F241 M242 L243 V244V140-L208 HydrophobicContact CB-CD2 3.88Å; V140-L208 HydrophobicContact CG2-CD2 3.95Å; M142-L208 HydrophobicContact CE-CB 4.05Å; M142-L208 HydrophobicContact CE-CD2 4.48Å; I206-L208 HydrophobicContact CG2-CD2 4.46Å; L208-R215 HydrophobicContact CB-CB 4.36Å; L208-F218 HydrophobicContact CD1-CD1 4.01Å; L208-F218 HydrophobicContact CD1-CE1 4.2Å; L208-F218 HydrophobicContact CD2-CD1 4.18Å; L208-F218 HydrophobicContact CD2-CE1 3.89Å; L208-F219 HydrophobicContact CD1-CB 4.13Å; L208-F219 HydrophobicContact CD1-CD2 3.85Å; L208-F219 HydrophobicContact CD1-CG 4.45Å; L208-F241 HydrophobicContact CD1-CD1 3.82Å; L208-F241 HydrophobicContact CD2-CD1 4.2Å; L208-F241 HydrophobicContact CD2-CE1 4.44Å; L208-F241 HydrophobicContact CG-CD1 4.01Å; L208-M242 PolarHBondContact N-O 3.34Å; L208-L243 HydrophobicContact CB-CD2 3.94Å; L208-L243 HydrophobicContact CD1-CD2 3.75Å; L208-L243 HydrophobicContact CG-CD2 4.33Å; L208-V244 PolarHBondContact O-N 3Å
209A96.5Very high91.6Very high1 Ų145.3 Ų45.31%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-117.6133.4-174.900000111.3V140 I141 M142 I207 V244 V257V140-A209 PolarHBondContact O-N 3.46Å; I141-A209 CarbonylContact C-O 3.47Å; I141-A209 WeakPolarHBondContact CA-O 3.38Å; I141-A209 HydrophobicContact CG1-CB 4.39Å; M142-A209 PolarHBondContact N-O 2.98Å; I207-A209 HydrophobicContact CG2-CB 4.42Å; A209-V244 WeakPolarHBondContact CA-O 3.39Å; A209-V257 HydrophobicContact CB-CG1 4.25Å; A209-V257 HydrophobicContact CB-CG2 3.56Å
210S96.7Very high92.1Very high0 Ų043.2 Ų43.20%022%0.216CC..EExtended strand (participates in β ladder)trans-157.8156.6173.672.60000111.9M142 R215 S246M142-S210 WeakPolarHBondContact O-CA 3.26Å; M142-S210 WeakPolarHBondContact O-CB 3.38Å; S210-R215 PolarHBondContact O-NH1 3.33Å; S210-R215 WeakPolarHBondContact OG-CB 3.47Å; S210-R215 WeakPolarHBondContact OG-CG 3.39Å; S210-R215 PolarHBondContact OG-N 3.16Å; S210-S246 CarbonylContact C-O 3.24Å; S210-S246 WeakPolarHBondContact CA-OG 3.05Å; S210-S246 PolarHBondContact N-OG 3.02Å; S210-S246 PolarHBondContact O-N 3.19Å
211P95.1Very high92.6Very high37 Ų3744.2 Ų44.224%0.2422%0.221CC..SBendtrans-69.1144.6161.128.9-29.6000110.2M142 S246M142-P211 WeakPolarHBondContact O-CD 3.47Å; P211-S246 WeakPolarHBondContact CA-O 3.44Å; P211-S246 WeakPolarHBondContact CB-O 3.41Å; P211-S246 VanDerWaalsContact N-O 3.14Å
212G93.7Very high93.3Very high39 Ų3938.1 Ų38.140%0.40219%0.188SC..THydrogen-bonded Turntrans63.4-139.5179.600000113.5R215G212-R215 PolarHBondContact O-NH1 2.83Å; G212-R215 VanDerWaalsContact O-NH1 3.17Å
213F94.1Very high94Very high160 Ų16036 Ų3670%0.70218%0.177SC*.THydrogen-bonded Turntrans-101.78.9-169.1-54.7-75.5000114.7R215 E216 Q217F213-R215 PolarHBondContact O-N 2.53Å; F213-E216 WeakPolarHBondContact CA-OE2 3.04Å; F213-E216 PolarHBondContact O-N 2.89Å; F213-Q217 WeakPolarHBondContact O-CG 3.29Å; F213-Q217 PolarHBondContact O-N 2.87Å; F213-Q217 VanDerWaalsContact O-N 3.14Å
214L95.2Very high94.6Very high10 Ų1042.2 Ų42.25%0.05221%0.206CC..Hα-helixtrans-67.4-36.5-171.1-174.970.6000112.2M142 E144 L183 F187 Q217 F218M142-L214 HydrophobicContact CB-CD2 3.9Å; E144-L214 HydrophobicContact CG-CD1 4.3Å; E144-L214 HydrophobicContact CG-CD2 4.49Å; L183-L214 HydrophobicContact CD1-CD1 3.98Å; F187-L214 HydrophobicContact CE1-CD1 3.76Å; F187-L214 HydrophobicContact CE1-CG 4.32Å; F187-L214 HydrophobicContact CZ-CD1 3.66Å; F187-L214 HydrophobicContact CZ-CG 4.5Å; L214-Q217 PolarHBondContact O-N 3.22Å; L214-F218 WeakPolarHBondContact O-CB 3.48Å; L214-F218 PolarHBondContact O-N 3.08Å
215R95.7Very high95.1Very high33 Ų3337 Ų3713%0.12518%0.184CC..Hα-helixtrans-63.8-39176.864.7-174.4-177-100.4-11112.2M142 L208 S210 G212 F213 F219 L243 V244 H245M142-R215 HydrophobicContact CE-CB 4.06Å; L208-R215 HydrophobicContact CB-CB 4.36Å; S210-R215 PolarHBondContact O-NH1 3.33Å; S210-R215 WeakPolarHBondContact OG-CB 3.47Å; S210-R215 WeakPolarHBondContact OG-CG 3.39Å; S210-R215 PolarHBondContact OG-N 3.16Å; G212-R215 PolarHBondContact O-NH1 2.83Å; G212-R215 VanDerWaalsContact O-NH1 3.17Å; F213-R215 PolarHBondContact O-N 2.53Å; R215-F219 VanDerWaalsContact O-CB 3.26Å; R215-F219 WeakPolarHBondContact O-CB 3.43Å; R215-F219 PolarHBondContact O-N 3.39Å; R215-L243 HydrophobicContact CG-CB 4.42Å; R215-V244 WeakPolarHBondContact CD-O 3.45Å; R215-V244 PolarHBondContact NE-O 2.64Å; R215-H245 VanDerWaalsContact NH1-CA 3.31Å
216E96.9Very high95.3Very high51 Ų5136.8 Ų36.824%0.23818%0.182CC..Hα-helixtrans-66.6-48.2175.8-6778.7-173.300109.8F213 F218 F219 E220 L243F213-E216 WeakPolarHBondContact CA-OE2 3.04Å; F213-E216 PolarHBondContact O-N 2.89Å; E216-F218 PolarHBondContact O-N 3.34Å; E216-F219 PolarHBondContact O-N 2.93Å; E216-E220 WeakPolarHBondContact O-CG 3.49Å; E216-E220 PolarHBondContact O-N 2.82Å; E216-L243 HydrophobicContact CG-CD1 4.21Å
217Q95.9Very high95.4Very high88 Ų8841 Ų4141%0.41121%0.208SC..Hα-helixtrans-59.5-44.2177.2-70.4177.17.400112.3F187 F213 L214 F221F187-Q217 HydrophobicContact CE2-CB 4.33Å; F187-Q217 HydrophobicContact CZ-CB 4.22Å; F213-Q217 WeakPolarHBondContact O-CG 3.29Å; F213-Q217 PolarHBondContact O-N 2.87Å; F213-Q217 VanDerWaalsContact O-N 3.14Å; L214-Q217 PolarHBondContact O-N 3.22Å; Q217-F221 WeakPolarHBondContact O-CB 3.47Å; Q217-F221 PolarHBondContact O-N 3.43Å
218F96.9Very high95.4Very high0 Ų049 Ų490%024%0.238CC..Hα-helixtrans-64.4-43.9176.6173.9-112.3000111.5M142 F187 I190 M191 L194 L208 L214 E216 E220 F221 M222M142-F218 HydrophobicContact CE-CB 4.28Å; M142-F218 HydrophobicContact CE-CD1 3.83Å; M142-F218 HydrophobicContact CE-CG 4.3Å; M142-F218 HydrophobicContact SD-CB 4.12Å; M142-F218 HydrophobicContact SD-CD1 3.68Å; M142-F218 HydrophobicContact SD-CE1 4.28Å; M142-F218 HydrophobicContact SD-CG 3.84Å; F187-F218 HydrophobicContact CB-CD2 3.82Å; F187-F218 HydrophobicContact CB-CE2 4.13Å; F187-F218 HydrophobicContact CD1-CB 4.11Å; F187-F218 AromaticContact CD1-CD2 3.54Å; F187-F218 HydrophobicContact CD1-CD2 3.54Å; F187-F218 HydrophobicContact CD1-CE2 4.44Å; F187-F218 HydrophobicContact CD1-CG 4.23Å; F187-F218 HydrophobicContact CD2-CD2 4.45Å; F187-F218 HydrophobicContact CE1-CB 3.82Å; F187-F218 HydrophobicContact CE1-CD2 4.14Å; F187-F218 HydrophobicContact CE1-CG 4.4Å; F187-F218 AromaticContact CG-CD2 3.71Å; F187-F218 HydrophobicContact CG-CD2 3.71Å; F187-F218 HydrophobicContact CG-CE2 4.49Å; F187-F218 HydrophobicContact CZ-CB 4.05Å; I190-F218 HydrophobicContact CB-CE2 3.79Å; I190-F218 HydrophobicContact CB-CZ 3.91Å; I190-F218 HydrophobicContact CD1-CD2 4.49Å; I190-F218 HydrophobicContact CD1-CE2 4.43Å; I190-F218 HydrophobicContact CG2-CE1 3.93Å; I190-F218 HydrophobicContact CG2-CE2 3.76Å; I190-F218 HydrophobicContact CG2-CZ 3.35Å; M191-F218 HydrophobicContact CG-CE2 3.99Å; M191-F218 HydrophobicContact CG-CZ 4.12Å; L194-F218 HydrophobicContact CD1-CE1 4.21Å; L194-F218 HydrophobicContact CD1-CZ 3.98Å; L208-F218 HydrophobicContact CD1-CD1 4.01Å; L208-F218 HydrophobicContact CD1-CE1 4.2Å; L208-F218 HydrophobicContact CD2-CD1 4.18Å; L208-F218 HydrophobicContact CD2-CE1 3.89Å; L214-F218 WeakPolarHBondContact O-CB 3.48Å; L214-F218 PolarHBondContact O-N 3.08Å; E216-F218 PolarHBondContact O-N 3.34Å; F218-E220 PolarHBondContact O-N 3.33Å; F218-F221 PolarHBondContact O-N 3.1Å; F218-M222 HydrophobicContact CE1-SD 4.29Å; F218-M222 HydrophobicContact CZ-CB 4.47Å; F218-M222 HydrophobicContact CZ-SD 4.34Å; F218-M222 VanDerWaalsContact O-CB 3.26Å; F218-M222 WeakPolarHBondContact O-CB 3.18Å; F218-M222 PolarHBondContact O-N 3.47Å
219F96.8Very high95.3Very high38 Ų3853.6 Ų53.617%0.16726%0.26CS..Hα-helixtrans-61.7-45178.9-176.5-108.2000111.7L208 R215 E216 M222 I223 K238 F241 L243L208-F219 HydrophobicContact CD1-CB 4.13Å; L208-F219 HydrophobicContact CD1-CD2 3.85Å; L208-F219 HydrophobicContact CD1-CG 4.45Å; R215-F219 VanDerWaalsContact O-CB 3.26Å; R215-F219 WeakPolarHBondContact O-CB 3.43Å; R215-F219 PolarHBondContact O-N 3.39Å; E216-F219 PolarHBondContact O-N 2.93Å; F219-M222 HydrophobicContact CD2-CE 3.53Å; F219-M222 HydrophobicContact CE2-CE 3.76Å; F219-M222 PolarHBondContact O-N 3.28Å; F219-I223 HydrophobicContact CE1-CG1 4.24Å; F219-I223 HydrophobicContact CE2-CD1 4.26Å; F219-I223 HydrophobicContact CE2-CG1 4.22Å; F219-I223 HydrophobicContact CZ-CD1 4.27Å; F219-I223 HydrophobicContact CZ-CG1 4.06Å; F219-I223 WeakPolarHBondContact O-CG1 3.4Å; F219-I223 PolarHBondContact O-N 3.24Å; F219-K238 HydrophobicContact CZ-CG 4.12Å; F219-F241 HydrophobicContact CD2-CB 4.12Å; F219-F241 HydrophobicContact CD2-CG 4.42Å; F219-F241 HydrophobicContact CE2-CB 3.56Å; F219-F241 HydrophobicContact CE2-CD2 4.35Å; F219-F241 AromaticContact CE2-CG 3.97Å; F219-F241 HydrophobicContact CE2-CG 3.97Å; F219-F241 HydrophobicContact CZ-CB 4.48Å; F219-L243 HydrophobicContact CB-CD1 4.49Å; F219-L243 HydrophobicContact CB-CD2 3.81Å; F219-L243 HydrophobicContact CD1-CD1 4.35Å; F219-L243 HydrophobicContact CD2-CD2 4.18Å; F219-L243 HydrophobicContact CG-CD1 4.47Å; F219-L243 HydrophobicContact CG-CD2 3.94Å
220E96.2Very high95Very high120 Ų12061 Ų6156%0.56129%0.294SS*.Hα-helixtrans-61-47.8174.6-72.4-180-177.200111.9E216 F218 M222 I223 Q224E216-E220 WeakPolarHBondContact O-CG 3.49Å; E216-E220 PolarHBondContact O-N 2.82Å; F218-E220 PolarHBondContact O-N 3.33Å; E220-M222 VanDerWaalsContact C-N 3.29Å; E220-M222 PolarHBondContact O-N 3.5Å; E220-I223 PolarHBondContact O-N 3.25Å; E220-Q224 WeakPolarHBondContact O-CB 3.38Å; E220-Q224 VanDerWaalsContact O-CG 3.31Å; E220-Q224 WeakPolarHBondContact O-CG 3.35Å; E220-Q224 PolarHBondContact O-N 3.03Å
221F96.2Very high94.6Very high32 Ų3263.1 Ų63.114%0.1430%0.304CS..Hα-helixtrans-57.5-42.7176.5178.5-90.3000112F187 E188 M191 Q217 F218 T225F187-F221 HydrophobicContact CB-CD1 3.42Å; F187-F221 VanDerWaalsContact CB-CD1 3.42Å; F187-F221 HydrophobicContact CB-CE1 3.52Å; F187-F221 HydrophobicContact CB-CG 4.04Å; F187-F221 HydrophobicContact CB-CZ 4.23Å; F187-F221 HydrophobicContact CD2-CB 3.85Å; F187-F221 HydrophobicContact CD2-CD1 4Å; F187-F221 HydrophobicContact CD2-CD2 4.14Å; F187-F221 AromaticContact CD2-CG 3.72Å; F187-F221 HydrophobicContact CD2-CG 3.72Å; F187-F221 HydrophobicContact CE2-CB 4.37Å; F187-F221 HydrophobicContact CG-CD1 4.16Å; F187-F221 HydrophobicContact CG-CG 4.34Å; E188-F221 HydrophobicContact CG-CE1 4.04Å; E188-F221 HydrophobicContact CG-CZ 3.83Å; M191-F221 HydrophobicContact SD-CD1 4.14Å; M191-F221 HydrophobicContact SD-CE1 4.02Å; Q217-F221 WeakPolarHBondContact O-CB 3.47Å; Q217-F221 PolarHBondContact O-N 3.43Å; F218-F221 PolarHBondContact O-N 3.1Å; F221-T225 VanDerWaalsContact O-CB 3.24Å; F221-T225 WeakPolarHBondContact O-CB 3.41Å; F221-T225 PolarHBondContact O-N 3.43Å; F221-T225 PolarHBondContact O-OG1 3.18Å
222M96.1Very high94.4Very high0 Ų069.9 Ų69.90%032%0.324CS..Hα-helixtrans-63.5-46.7179.5-179.2-174.669.300111.4M191 L194 F218 F219 E220 T225 A226 F234 F241M191-M222 HydrophobicContact CE-CB 4.45Å; M191-M222 HydrophobicContact CE-CG 3.88Å; M191-M222 HydrophobicContact CG-CB 4.37Å; M191-M222 HydrophobicContact CG-CG 4.1Å; M191-M222 HydrophobicContact SD-CB 4.14Å; M191-M222 HydrophobicContact SD-CG 4.1Å; L194-M222 HydrophobicContact CD1-SD 4.29Å; F218-M222 HydrophobicContact CE1-SD 4.29Å; F218-M222 HydrophobicContact CZ-CB 4.47Å; F218-M222 HydrophobicContact CZ-SD 4.34Å; F218-M222 VanDerWaalsContact O-CB 3.26Å; F218-M222 WeakPolarHBondContact O-CB 3.18Å; F218-M222 PolarHBondContact O-N 3.47Å; F219-M222 HydrophobicContact CD2-CE 3.53Å; F219-M222 HydrophobicContact CE2-CE 3.76Å; F219-M222 PolarHBondContact O-N 3.28Å; E220-M222 VanDerWaalsContact C-N 3.29Å; E220-M222 PolarHBondContact O-N 3.5Å; M222-T225 PolarHBondContact O-N 3.35Å; M222-A226 WeakPolarHBondContact O-CB 3.37Å; M222-A226 PolarHBondContact O-N 3.06Å; M222-F234 HydrophobicContact CG-CD1 3.96Å; M222-F234 HydrophobicContact CG-CE1 4.29Å; M222-F234 HydrophobicContact CG-CG 4.5Å; M222-F234 HydrophobicContact SD-CD1 3.62Å; M222-F234 HydrophobicContact SD-CE1 3.84Å; M222-F241 HydrophobicContact CE-CD1 3.79Å; M222-F241 HydrophobicContact CE-CD2 3.97Å; M222-F241 HydrophobicContact CE-CE1 3.59Å; M222-F241 HydrophobicContact CE-CE2 3.79Å; M222-F241 HydrophobicContact CE-CG 3.96Å; M222-F241 HydrophobicContact CE-CZ 3.59Å; M222-F241 HydrophobicContact SD-CD1 4.4Å; M222-F241 HydrophobicContact SD-CE1 3.67Å; M222-F241 HydrophobicContact SD-CE2 4.37Å; M222-F241 HydrophobicContact SD-CZ 3.64Å
223I95.5Very high94.2Very high26 Ų2670.9 Ų70.913%0.13332%0.322CS..Hα-helixtrans-67.3-42.7179-63.1-58.4000111.4F219 E220 A226 T227 K238F219-I223 HydrophobicContact CE1-CG1 4.24Å; F219-I223 HydrophobicContact CE2-CD1 4.26Å; F219-I223 HydrophobicContact CE2-CG1 4.22Å; F219-I223 HydrophobicContact CZ-CD1 4.27Å; F219-I223 HydrophobicContact CZ-CG1 4.06Å; F219-I223 WeakPolarHBondContact O-CG1 3.4Å; F219-I223 PolarHBondContact O-N 3.24Å; E220-I223 PolarHBondContact O-N 3.25Å; I223-A226 PolarHBondContact O-N 3.31Å; I223-T227 PolarHBondContact O-N 3.35Å; I223-T227 PolarHBondContact O-OG1 3.26Å; I223-K238 HydrophobicContact CD1-CB 4.47Å; I223-K238 HydrophobicContact CD1-CD 3.99Å; I223-K238 HydrophobicContact CD1-CG 3.91Å
224Q95.1Very high94.2Very high131 Ų13163.3 Ų63.361%0.61229%0.289SS*.Hα-helixtrans-62.4-44.3176.7-71.1175.910.100111.7E220 T227 R228E220-Q224 WeakPolarHBondContact O-CB 3.38Å; E220-Q224 VanDerWaalsContact O-CG 3.31Å; E220-Q224 WeakPolarHBondContact O-CG 3.35Å; E220-Q224 PolarHBondContact O-N 3.03Å; Q224-T227 PolarHBondContact O-N 3.19Å; Q224-R228 WeakPolarHBondContact O-CB 3.44Å; Q224-R228 PolarHBondContact O-N 3.43Å
225T93.6Very high94Very high6 Ų666 Ų664%0.03730%0.304CS..Hα-helixtrans-67.9-40.1178.5-60.40000111.5M191 F221 M222 R228 Q229M191-T225 HydrophobicContact CE-CG2 4.02Å; M191-T225 HydrophobicContact SD-CG2 4.04Å; F221-T225 VanDerWaalsContact O-CB 3.24Å; F221-T225 WeakPolarHBondContact O-CB 3.41Å; F221-T225 PolarHBondContact O-N 3.43Å; F221-T225 PolarHBondContact O-OG1 3.18Å; M222-T225 PolarHBondContact O-N 3.35Å; T225-R228 PolarHBondContact O-N 2.6Å; T225-Q229 HydrophobicContact CG2-CG 4.35Å; T225-Q229 WeakPolarHBondContact O-CB 3.14Å; T225-Q229 PolarHBondContact O-N 2.66Å
226A93.5Very high93.8Very high0 Ų070.9 Ų70.90%033%0.327CS..Hα-helixtrans-63.6-39.8176.500000112.3M222 I223 E230 K231 F234 L235M222-A226 WeakPolarHBondContact O-CB 3.37Å; M222-A226 PolarHBondContact O-N 3.06Å; I223-A226 PolarHBondContact O-N 3.31Å; A226-E230 CarbonylContact O-C 3.55Å; A226-E230 WeakPolarHBondContact O-CA 3.29Å; A226-E230 PolarHBondContact O-N 3.11Å; A226-K231 HydrophobicContact CB-CB 4.3Å; A226-K231 PolarHBondContact O-N 2.79Å; A226-F234 HydrophobicContact CB-CB 3.78Å; A226-F234 HydrophobicContact CB-CG 4.48Å; A226-L235 HydrophobicContact CB-CD2 4.05Å; A226-L235 HydrophobicContact CB-CG 4.19Å
227T94.2Very high93.6Very high88 Ų8869.8 Ų69.854%0.5432%0.323SS..Hα-helixtrans-65.6-45.2173.4-57.70000111.3I223 Q224 Q229 E230I223-T227 PolarHBondContact O-N 3.35Å; I223-T227 PolarHBondContact O-OG1 3.26Å; Q224-T227 PolarHBondContact O-N 3.19Å; T227-Q229 PolarHBondContact O-N 2.82Å; T227-E230 PolarHBondContact O-N 3.29Å
228R93.9Very high93.4Very high169 Ų16970.6 Ų70.664%0.63833%0.325SS*.Hα-helixtrans-64.8-36.3-179.8-177.3-178.864.5-174.2-1.9113.4Q224 T225Q224-R228 WeakPolarHBondContact O-CB 3.44Å; Q224-R228 PolarHBondContact O-N 3.43Å; T225-R228 PolarHBondContact O-N 2.6Å
229Q93.1Very high93.2Very high96 Ų9675.1 Ų75.145%0.44936%0.357SS..THydrogen-bonded Turntrans-99.87.6-178-64.7180-4.300113T225 T227 K231T225-Q229 HydrophobicContact CG2-CG 4.35Å; T225-Q229 WeakPolarHBondContact O-CB 3.14Å; T225-Q229 PolarHBondContact O-N 2.66Å; T227-Q229 PolarHBondContact O-N 2.82Å; Q229-K231 HydrophobicContact CB-CG 4.06Å; Q229-K231 PolarHBondContact O-N 2.9Å; Q229-K231 VanDerWaalsContact O-N 3.14Å; Q229-K231 VanDerWaalsContact OE1-CE 3.25Å
230E90.2Very high92.9Very high156 Ų15675.4 Ų75.473%0.72936%0.359SS*.THydrogen-bonded Turntrans50.435.5-177.3-59-175179.600114.2A226 T227 R232A226-E230 CarbonylContact O-C 3.55Å; A226-E230 WeakPolarHBondContact O-CA 3.29Å; A226-E230 PolarHBondContact O-N 3.11Å; T227-E230 PolarHBondContact O-N 3.29Å; E230-R232 PolarHBondContact O-N 3.18Å
231K89.9Confident92.8Very high46 Ų4670.5 Ų70.520%0.234%0.335CS..  trans-75.886179.1-68.6-165.7171.4-166.70111.1E195 A226 Q229 V233 F234 L235E195-K231 IonicContact OE1-NZ 3.81Å; E195-K231 IonicContact OE2-NZ 2.7Å; E195-K231 PolarHBondContact OE2-NZ 3.01Å; A226-K231 HydrophobicContact CB-CB 4.3Å; A226-K231 PolarHBondContact O-N 2.79Å; Q229-K231 HydrophobicContact CB-CG 4.06Å; Q229-K231 PolarHBondContact O-N 2.9Å; Q229-K231 VanDerWaalsContact O-N 3.14Å; Q229-K231 VanDerWaalsContact OE1-CE 3.25Å; K231-V233 PolarHBondContact O-N 3.4Å; K231-F234 HydrophobicContact CB-CD2 4.01Å; K231-F234 HydrophobicContact CD-CD2 4.14Å; K231-F234 HydrophobicContact CD-CE2 4.11Å; K231-F234 PolarHBondContact O-N 3.36Å; K231-L235 PolarHBondContact O-N 2.96Å
232R90.4Very high92.6Very high178 Ų17869.5 Ų69.567%0.67233%0.331SS*.Hα-helixtrans-51.4-39.1-178.3-65.9-169.7-178.4-174.8-0114E230 F234 L235 E236E230-R232 PolarHBondContact O-N 3.18Å; R232-F234 VanDerWaalsContact C-N 3.26Å; R232-F234 PolarHBondContact O-N 3.22Å; R232-L235 PolarHBondContact O-N 3.31Å; R232-E236 WeakPolarHBondContact O-CB 3.34Å; R232-E236 WeakPolarHBondContact O-CG 3.35Å; R232-E236 PolarHBondContact O-N 2.99Å
233V90Very high92.5Very high60 Ų6072.7 Ų72.736%0.36435%0.348SS..Hα-helixtrans-52.4-43.3-178.7-178.40000112.3F200 K231 N237F200-V233 HydrophobicContact CB-CG1 4.1Å; F200-V233 HydrophobicContact CD1-CG1 4.22Å; F200-V233 HydrophobicContact CD2-CG1 3.24Å; F200-V233 HydrophobicContact CE1-CG1 4.49Å; F200-V233 HydrophobicContact CE2-CG1 3.61Å; F200-V233 HydrophobicContact CG-CG1 3.59Å; F200-V233 HydrophobicContact CZ-CG1 4.22Å; K231-V233 PolarHBondContact O-N 3.4Å; V233-N237 WeakPolarHBondContact O-CB 3.4Å; V233-N237 PolarHBondContact O-N 3.02Å; V233-N237 PolarHBondContact O-ND2 3.45Å
234F92.2Very high92.5Very high1 Ų171.7 Ų71.70%0.00434%0.343CS..Hα-helixtrans-77.7-38.1178.5-68.9-79.4000112.6M191 L194 E195 F200 M222 A226 K231 R232 K238 F241M191-F234 HydrophobicContact CE-CD2 4.35Å; M191-F234 HydrophobicContact CE-CE2 4.22Å; M191-F234 HydrophobicContact CE-CZ 4.49Å; L194-F234 HydrophobicContact CB-CE1 4.2Å; L194-F234 HydrophobicContact CB-CZ 4.21Å; L194-F234 HydrophobicContact CD1-CE1 4.1Å; E195-F234 HydrophobicContact CB-CE2 4.49Å; E195-F234 HydrophobicContact CB-CZ 4.4Å; F200-F234 HydrophobicContact CE1-CD1 4.33Å; F200-F234 HydrophobicContact CE1-CE1 4.29Å; F200-F234 HydrophobicContact CZ-CD1 4.15Å; F200-F234 AromaticContact CZ-CE1 3.72Å; F200-F234 HydrophobicContact CZ-CE1 3.72Å; F200-F234 HydrophobicContact CZ-CZ 4.17Å; M222-F234 HydrophobicContact CG-CD1 3.96Å; M222-F234 HydrophobicContact CG-CE1 4.29Å; M222-F234 HydrophobicContact CG-CG 4.5Å; M222-F234 HydrophobicContact SD-CD1 3.62Å; M222-F234 HydrophobicContact SD-CE1 3.84Å; A226-F234 HydrophobicContact CB-CB 3.78Å; A226-F234 HydrophobicContact CB-CG 4.48Å; K231-F234 HydrophobicContact CB-CD2 4.01Å; K231-F234 HydrophobicContact CD-CD2 4.14Å; K231-F234 HydrophobicContact CD-CE2 4.11Å; K231-F234 PolarHBondContact O-N 3.36Å; R232-F234 VanDerWaalsContact C-N 3.26Å; R232-F234 PolarHBondContact O-N 3.22Å; F234-K238 PolarHBondContact O-N 3.44Å; F234-K238 VanDerWaalsContact O-N 3.16Å; F234-F241 HydrophobicContact CD1-CE2 4.32Å; F234-F241 AromaticContact CD1-CZ 3.83Å; F234-F241 HydrophobicContact CD1-CZ 3.83Å; F234-F241 HydrophobicContact CE1-CZ 4.22Å
235L91.4Very high92.5Very high68 Ų6869.9 Ų69.936%0.35633%0.334SS..Hα-helixtrans-68.1-42.7-178.3-64.1175.7000111.9A226 K231 R232A226-L235 HydrophobicContact CB-CD2 4.05Å; A226-L235 HydrophobicContact CB-CG 4.19Å; K231-L235 PolarHBondContact O-N 2.96Å; R232-L235 PolarHBondContact O-N 3.31Å
236E92.7Very high92.5Very high134 Ų13469.6 Ų69.663%0.62633%0.333SS*.Hα-helixtrans-70.2-33.1179.1-69.1172.1-175.900112R232R232-E236 WeakPolarHBondContact O-CB 3.34Å; R232-E236 WeakPolarHBondContact O-CG 3.35Å; R232-E236 PolarHBondContact O-N 2.99Å
237N92.1Very high92.5Very high28 Ų2873.1 Ų73.115%0.1536%0.357CS..THydrogen-bonded Turntrans-99.217-178.6-65.5-76.3000113.6F200 V233 S239 K240 F241F200-N237 HydrophobicContact CD1-CB 3.91Å; V233-N237 WeakPolarHBondContact O-CB 3.4Å; V233-N237 PolarHBondContact O-N 3.02Å; V233-N237 PolarHBondContact O-ND2 3.45Å; N237-S239 PolarHBondContact O-N 3.19Å; N237-S239 VanDerWaalsContact O-N 3.16Å; N237-K240 HydrophobicContact CB-CD 4.19Å; N237-K240 HydrophobicContact CB-CG 4.36Å; N237-K240 WeakPolarHBondContact O-CB 3.35Å; N237-K240 PolarHBondContact O-N 3.02Å; N237-K240 VanDerWaalsContact OD1-CE 3.29Å; N237-K240 WeakPolarHBondContact OD1-CE 2.84Å; N237-F241 WeakPolarHBondContact O-CD2 3.17Å
238K92Very high92.5Very high105 Ų10569.9 Ų69.946%0.45734%0.338SS..G310 helixtrans-54-38-178.1-177.8177.9179.1-176.20113.1F219 I223 F234 K240 F241F219-K238 HydrophobicContact CZ-CG 4.12Å; I223-K238 HydrophobicContact CD1-CB 4.47Å; I223-K238 HydrophobicContact CD1-CD 3.99Å; I223-K238 HydrophobicContact CD1-CG 3.91Å; F234-K238 PolarHBondContact O-N 3.44Å; F234-K238 VanDerWaalsContact O-N 3.16Å; K238-K240 PolarHBondContact O-N 3.4Å; K238-F241 PolarHBondContact O-N 2.85Å
239S91.6Very high92.4Very high96 Ų9661.9 Ų61.967%0.67131%0.308SS*.G310 helixtrans-69.8-16.8-179.757.30000114.3N237 F241N237-S239 PolarHBondContact O-N 3.19Å; N237-S239 VanDerWaalsContact O-N 3.16Å; S239-F241 VanDerWaalsContact C-N 3.35Å
240K91.1Very high92.4Very high44 Ų4461.5 Ų61.519%0.19131%0.306CS..G310 helixtrans-77.5-22.2177.1-62.8-166176.2-167.70112.6F200 V203 C205 I206 N237 K238F200-K240 PolarHBondContact O-NZ 2.87Å; V203-K240 PolarHBondContact O-NZ 3.01Å; C205-K240 WeakPolarHBondContact CA-O 3.17Å; C205-K240 WeakPolarHBondContact CB-O 3.33Å; I206-K240 PolarHBondContact N-O 3.16Å; N237-K240 HydrophobicContact CB-CD 4.19Å; N237-K240 HydrophobicContact CB-CG 4.36Å; N237-K240 WeakPolarHBondContact O-CB 3.35Å; N237-K240 PolarHBondContact O-N 3.02Å; N237-K240 VanDerWaalsContact OD1-CE 3.29Å; N237-K240 WeakPolarHBondContact OD1-CE 2.84Å; K238-K240 PolarHBondContact O-N 3.4Å
241F93.4Very high92.3Very high17 Ų1756.7 Ų56.78%0.07528%0.283CS..EExtended strand (participates in β ladder)trans-75.1132-179.6-70.7-87.1000111.4L194 F200 I206 L208 F219 M222 F234 N237 K238 S239L194-F241 HydrophobicContact CD1-CE1 4.48Å; F200-F241 HydrophobicContact CE1-CE2 4.25Å; F200-F241 AromaticContact CE1-CZ 3.82Å; F200-F241 HydrophobicContact CE1-CZ 3.82Å; I206-F241 HydrophobicContact CB-CD1 3.91Å; I206-F241 HydrophobicContact CB-CE1 4.04Å; I206-F241 HydrophobicContact CB-CG 4.48Å; I206-F241 HydrophobicContact CD1-CE1 4Å; I206-F241 HydrophobicContact CD1-CE2 4.35Å; I206-F241 HydrophobicContact CD1-CZ 3.88Å; I206-F241 HydrophobicContact CG2-CD1 3.84Å; I206-F241 HydrophobicContact CG2-CE1 3.71Å; I206-F241 CarbonylContact O-C 3.53Å; I206-F241 VanDerWaalsContact O-CA 3.28Å; I206-F241 WeakPolarHBondContact O-CA 3.4Å; L208-F241 HydrophobicContact CD1-CD1 3.82Å; L208-F241 HydrophobicContact CD2-CD1 4.2Å; L208-F241 HydrophobicContact CD2-CE1 4.44Å; L208-F241 HydrophobicContact CG-CD1 4.01Å; F219-F241 HydrophobicContact CD2-CB 4.12Å; F219-F241 HydrophobicContact CD2-CG 4.42Å; F219-F241 HydrophobicContact CE2-CB 3.56Å; F219-F241 HydrophobicContact CE2-CD2 4.35Å; F219-F241 AromaticContact CE2-CG 3.97Å; F219-F241 HydrophobicContact CE2-CG 3.97Å; F219-F241 HydrophobicContact CZ-CB 4.48Å; M222-F241 HydrophobicContact CE-CD1 3.79Å; M222-F241 HydrophobicContact CE-CD2 3.97Å; M222-F241 HydrophobicContact CE-CE1 3.59Å; M222-F241 HydrophobicContact CE-CE2 3.79Å; M222-F241 HydrophobicContact CE-CG 3.96Å; M222-F241 HydrophobicContact CE-CZ 3.59Å; M222-F241 HydrophobicContact SD-CD1 4.4Å; M222-F241 HydrophobicContact SD-CE1 3.67Å; M222-F241 HydrophobicContact SD-CE2 4.37Å; M222-F241 HydrophobicContact SD-CZ 3.64Å; F234-F241 HydrophobicContact CD1-CE2 4.32Å; F234-F241 AromaticContact CD1-CZ 3.83Å; F234-F241 HydrophobicContact CD1-CZ 3.83Å; F234-F241 HydrophobicContact CE1-CZ 4.22Å; N237-F241 WeakPolarHBondContact O-CD2 3.17Å; K238-F241 PolarHBondContact O-N 2.85Å; S239-F241 VanDerWaalsContact C-N 3.35Å
242M92.3Very high92.3Very high11 Ų1159.3 Ų59.35%0.05430%0.296CS..EExtended strand (participates in β ladder)trans-124.7132.1176.8-60.8-165.3-59.500109.6C205 I206 I207 L208 V244 V263 K266C205-M242 HydrophobicContact CB-CE 3.95Å; C205-M242 HydrophobicContact CB-SD 4.44Å; C205-M242 WeakPolarHBondContact SG-CE 3.41Å; I206-M242 PolarHBondContact O-N 2.83Å; I207-M242 CarbonylContact C-O 3.53Å; I207-M242 HydrophobicContact CD1-CE 4.47Å; I207-M242 HydrophobicContact CG1-CE 3.79Å; L208-M242 PolarHBondContact N-O 3.34Å; M242-V244 HydrophobicContact CB-CG2 4.48Å; M242-V263 HydrophobicContact CE-CG2 4.32Å; M242-K266 HydrophobicContact CE-CB 4.48Å; M242-K266 HydrophobicContact CE-CD 4.41Å; M242-K266 HydrophobicContact SD-CB 4.33Å; M242-K266 HydrophobicContact SD-CD 3.37Å; M242-K266 WeakPolarHBondContact SD-CD 3.29Å; M242-K266 WeakPolarHBondContact SD-CE 3.45Å; M242-K266 HydrophobicContact SD-CG 3.8Å
243L94.7Very high92.4Very high66 Ų6650.9 Ų50.935%0.34626%0.264SS..EExtended strand (participates in β ladder)trans-96.4122.3177.8-50.1-178000108.2L208 R215 E216 F219L208-L243 HydrophobicContact CB-CD2 3.94Å; L208-L243 HydrophobicContact CD1-CD2 3.75Å; L208-L243 HydrophobicContact CG-CD2 4.33Å; R215-L243 HydrophobicContact CG-CB 4.42Å; E216-L243 HydrophobicContact CG-CD1 4.21Å; F219-L243 HydrophobicContact CB-CD1 4.49Å; F219-L243 HydrophobicContact CB-CD2 3.81Å; F219-L243 HydrophobicContact CD1-CD1 4.35Å; F219-L243 HydrophobicContact CD2-CD2 4.18Å; F219-L243 HydrophobicContact CG-CD1 4.47Å; F219-L243 HydrophobicContact CG-CD2 3.94Å
244V94.5Very high92.3Very high5 Ų548.1 Ų48.13%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-131.9144.3-174.9-174.60000110.2I207 L208 A209 R215 M242 V257 D260 V263I207-V244 HydrophobicContact CG2-CB 3.99Å; I207-V244 HydrophobicContact CG2-CG2 3.66Å; L208-V244 PolarHBondContact O-N 3Å; A209-V244 WeakPolarHBondContact CA-O 3.39Å; R215-V244 WeakPolarHBondContact CD-O 3.45Å; R215-V244 PolarHBondContact NE-O 2.64Å; M242-V244 HydrophobicContact CB-CG2 4.48Å; V244-V257 HydrophobicContact CB-CG1 4.37Å; V244-V257 HydrophobicContact CG1-CG1 4.06Å; V244-D260 HydrophobicContact CG1-CB 3.99Å; V244-V263 HydrophobicContact CB-CG2 4.48Å; V244-V263 HydrophobicContact CG1-CG2 4.17Å; V244-V263 HydrophobicContact CG2-CG2 3.54Å
245H94.8Very high92.1Very high94 Ų9450.4 Ų50.444%0.43526%0.257SS..EExtended strand (participates in β ladder)trans-71.7141.9173.4-179.2-90000111.7R215 E256R215-H245 VanDerWaalsContact NH1-CA 3.31Å; H245-E256 IonicContact ND1-OE1 2.69Å
246S94.6Very high92Very high0 Ų050.4 Ų50.40%026%0.255CS..  trans-135.9143165.6670000111S210 P211 S248S210-S246 CarbonylContact C-O 3.24Å; S210-S246 WeakPolarHBondContact CA-OG 3.05Å; S210-S246 PolarHBondContact N-OG 3.02Å; S210-S246 PolarHBondContact O-N 3.19Å; P211-S246 WeakPolarHBondContact CA-O 3.44Å; P211-S246 WeakPolarHBondContact CB-O 3.41Å; P211-S246 VanDerWaalsContact N-O 3.14Å; S246-S248 VanDerWaalsContact C-N 3.26Å; S246-S248 PolarHBondContact O-N 3.3Å; S246-S248 PolarHBondContact OG-O 2.89Å
247S94.4Very high92Very high74 Ų7444 Ų4452%0.51723%0.226SC..SBendtrans-63.9-29174530000113.7E256S247-E256 WeakPolarHBondContact CB-OE2 3.37Å; S247-E256 PolarHBondContact N-OE2 3.4Å; S247-E256 PolarHBondContact OG-OE2 2.85Å
248S93.8Very high91.8Very high19 Ų1943 Ų4313%0.13322%0.22CC..  trans-144.2169.3-178.692.10000113I141 S246 H250 H252 A253I141-S248 VanDerWaalsContact CG2-O 3.27Å; I141-S248 WeakPolarHBondContact CG2-O 3.23Å; S246-S248 VanDerWaalsContact C-N 3.26Å; S246-S248 PolarHBondContact O-N 3.3Å; S246-S248 PolarHBondContact OG-O 2.89Å; S248-H250 PolarHBondContact OG-N 2.82Å; S248-H252 PolarHBondContact OG-CE1 3.48Å; S248-H252 PolarHBondContact OG-NE2 2.92Å; S248-A253 WeakPolarHBondContact O-CB 3.32Å
249G92.1Very high91.5Very high1 Ų140.4 Ų40.41%0.0121%0.213CC..SBendtrans-89.34.1173.400000115.3I141 Y148I141-G249 VanDerWaalsContact CG2-C 3.49Å; Y148-G249 WeakPolarHBondContact CD2-O 3.35Å
250H92.8Very high91.4Very high88 Ų8838.2 Ų38.241%0.40719%0.194SC..SBendtrans-98.4162-171.9-65.4-76.8000112.1I141 L146 S248 H252 A253I141-H250 WeakPolarHBondContact CD1-O 3.37Å; L146-H250 WeakPolarHBondContact CD2-CE1 3.38Å; L146-H250 WeakPolarHBondContact CD2-ND1 3.34Å; S248-H250 PolarHBondContact OG-N 2.82Å; H250-H252 VanDerWaalsContact CB-CE1 3.43Å; H250-H252 WeakPolarHBondContact CB-CE1 3.34Å; H250-H252 PolarHBondContact O-N 2.86Å; H250-A253 WeakPolarHBondContact O-CB 3.29Å; H250-A253 PolarHBondContact O-N 2.85Å
251K88.4Confident91.2Very high56 Ų5640.6 Ų40.624%0.24322%0.216CC..G310 helixtrans-48.4-39-179.4-171.8-168.1178.7-1660113.5V159 A253 L254 E355V159-K251 HydrophobicContact CG2-CD 4.13Å; V159-K251 HydrophobicContact CG2-CG 4.43Å; K251-A253 PolarHBondContact O-N 3.32Å; K251-L254 WeakPolarHBondContact O-CB 3.4Å; K251-L254 PolarHBondContact O-N 3.45Å; K251-E355 IonicContact NZ-OE1 3.82Å; K251-E355 PolarHBondContact NZ-OE1 2.99Å; K251-E355 IonicContact NZ-OE2 3.96Å
252H88.3Confident90.8Very high101 Ų10143.4 Ų43.447%0.46824%0.235SC..G310 helixtrans-63-23.7-178.164-103.3000113.3S248 H250 L254 K255S248-H252 PolarHBondContact OG-CE1 3.48Å; S248-H252 PolarHBondContact OG-NE2 2.92Å; H250-H252 VanDerWaalsContact CB-CE1 3.43Å; H250-H252 WeakPolarHBondContact CB-CE1 3.34Å; H250-H252 PolarHBondContact O-N 2.86Å; H252-L254 PolarHBondContact O-N 3.41Å; H252-K255 WeakPolarHBondContact O-CB 3.43Å; H252-K255 WeakPolarHBondContact O-CD 3.32Å; H252-K255 WeakPolarHBondContact O-CG 3.48Å; H252-K255 PolarHBondContact O-N 3.28Å; H252-K255 VanDerWaalsContact O-N 3.17Å
253A92.6Very high90.4Very high1 Ų142.9 Ų42.91%0.00823%0.232CC..G310 helixtrans-70.3-12.917700000112.9I141 S248 H250 K251 K255 E256 V257I141-A253 HydrophobicContact CD1-CB 4.15Å; I141-A253 HydrophobicContact CG2-CB 4.34Å; S248-A253 WeakPolarHBondContact O-CB 3.32Å; H250-A253 WeakPolarHBondContact O-CB 3.29Å; H250-A253 PolarHBondContact O-N 2.85Å; K251-A253 PolarHBondContact O-N 3.32Å; A253-K255 PolarHBondContact O-N 2.84Å; A253-K255 VanDerWaalsContact O-N 3.15Å; A253-E256 PolarHBondContact O-N 2.91Å; A253-V257 VanDerWaalsContact O-CG2 3.32Å; A253-V257 WeakPolarHBondContact O-CG2 3.18Å; A253-V257 PolarHBondContact O-N 2.99Å; A253-V257 VanDerWaalsContact O-N 3.1Å
254L89.6Confident89.8Confident1 Ų141.4 Ų41.41%0.00522%0.224CC..Hα-helixtrans-57.1-29.7170-79.8-177.4000111.2A139 I141 C150 I152 T157 K251 H252 V257 L258 V352A139-L254 HydrophobicContact CB-CD2 3.54Å; I141-L254 HydrophobicContact CD1-CB 3.98Å; I141-L254 HydrophobicContact CD1-CD2 3.46Å; I141-L254 VanDerWaalsContact CD1-CD2 3.46Å; I141-L254 HydrophobicContact CD1-CG 3.31Å; I141-L254 HydrophobicContact CG1-CD2 3.7Å; I141-L254 HydrophobicContact CG1-CG 4.08Å; C150-L254 HydrophobicContact CB-CD1 3.99Å; I152-L254 HydrophobicContact CD1-CD1 4.18Å; I152-L254 HydrophobicContact CD1-CD2 3.97Å; I152-L254 HydrophobicContact CG1-CD1 4.45Å; T157-L254 HydrophobicContact CG2-CD1 3.56Å; K251-L254 WeakPolarHBondContact O-CB 3.4Å; K251-L254 PolarHBondContact O-N 3.45Å; H252-L254 PolarHBondContact O-N 3.41Å; L254-V257 PolarHBondContact O-N 3.46Å; L254-L258 WeakPolarHBondContact O-CB 3.36Å; L254-L258 VanDerWaalsContact O-CG 3.26Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 3.01Å; L254-V352 HydrophobicContact CB-CG2 4.23Å; L254-V352 HydrophobicContact CD1-CG2 4.17Å
255K87.4Confident89.2Confident50 Ų5044.9 Ų44.922%0.21725%0.248CC..Hα-helixtrans-54.5-57.4176.1-65.2173.5176.7-174.40110.4H252 A253 T259 V352 Q356H252-K255 WeakPolarHBondContact O-CB 3.43Å; H252-K255 WeakPolarHBondContact O-CD 3.32Å; H252-K255 WeakPolarHBondContact O-CG 3.48Å; H252-K255 PolarHBondContact O-N 3.28Å; H252-K255 VanDerWaalsContact O-N 3.17Å; A253-K255 PolarHBondContact O-N 2.84Å; A253-K255 VanDerWaalsContact O-N 3.15Å; K255-T259 VanDerWaalsContact O-CG2 3.28Å; K255-T259 WeakPolarHBondContact O-CG2 3.28Å; K255-T259 PolarHBondContact O-N 2.9Å; K255-V352 HydrophobicContact CB-CG1 4.35Å; K255-V352 HydrophobicContact CD-CG1 3.93Å; K255-V352 VanDerWaalsContact CE-CG1 3.41Å; K255-V352 HydrophobicContact CG-CG1 3.16Å; K255-Q356 HydrophobicContact CD-CG 3.91Å; K255-Q356 VanDerWaalsContact CE-CG 3.47Å; K255-Q356 VanDerWaalsContact NZ-CG 3.26Å
256E89.9Confident88.3Confident67 Ų6745.8 Ų45.831%0.31325%0.251SS..Hα-helixtrans-63-45.5179.9-178.4-17016700111.2H245 S247 A253 L258 T259 D260H245-E256 IonicContact ND1-OE1 2.69Å; S247-E256 WeakPolarHBondContact CB-OE2 3.37Å; S247-E256 PolarHBondContact N-OE2 3.4Å; S247-E256 PolarHBondContact OG-OE2 2.85Å; A253-E256 PolarHBondContact O-N 2.91Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 2.93Å; E256-T259 PolarHBondContact O-N 2.83Å; E256-T259 PolarHBondContact O-OG1 3.31Å; E256-D260 PolarHBondContact O-N 3.14Å
257V91.5Very high87.3Confident1 Ų146 Ų461%0.00625%0.252CS..Hα-helixtrans-61.1-40.6-177.4172.30000112I207 A209 V244 A253 L254 T259 D260 V263I207-V257 HydrophobicContact CD1-CG1 4.3Å; I207-V257 HydrophobicContact CG2-CG1 3.53Å; A209-V257 HydrophobicContact CB-CG1 4.25Å; A209-V257 HydrophobicContact CB-CG2 3.56Å; V244-V257 HydrophobicContact CB-CG1 4.37Å; V244-V257 HydrophobicContact CG1-CG1 4.06Å; A253-V257 VanDerWaalsContact O-CG2 3.32Å; A253-V257 WeakPolarHBondContact O-CG2 3.18Å; A253-V257 PolarHBondContact O-N 2.99Å; A253-V257 VanDerWaalsContact O-N 3.1Å; L254-V257 PolarHBondContact O-N 3.46Å; V257-T259 PolarHBondContact O-N 2.51Å; V257-D260 WeakPolarHBondContact O-CB 3.35Å; V257-D260 PolarHBondContact O-N 2.99Å; V257-V263 WeakPolarHBondContact O-CG2 3.44Å
258L88Confident86.1Confident5 Ų546.6 Ų46.63%0.02625%0.252CS..Hα-helixtrans-71.8-18.6177.8-71.2175.6000113L137 I152 L254 E256 V263 M264 L267 V276L137-L258 HydrophobicContact CD1-CD2 4.15Å; I152-L258 HydrophobicContact CD1-CD1 4.28Å; I152-L258 HydrophobicContact CD1-CD2 4.01Å; I152-L258 HydrophobicContact CD1-CG 4.43Å; L254-L258 WeakPolarHBondContact O-CB 3.36Å; L254-L258 VanDerWaalsContact O-CG 3.26Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 3.01Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 2.93Å; L258-V263 HydrophobicContact CD2-CG1 4.46Å; L258-M264 WeakPolarHBondContact O-CG 3.45Å; L258-L267 HydrophobicContact CD2-CD1 4.26Å; L258-V276 HydrophobicContact CB-CG1 4.48Å; L258-V276 HydrophobicContact CB-CG2 4.37Å; L258-V276 HydrophobicContact CD1-CG2 4.5Å
259T86.8Confident84.8Confident52 Ų5252.4 Ų52.432%0.31928%0.282SS..Hα-helixtrans-88.2-9.617662.10000113.4K255 E256 V257 S261 V276 N280K255-T259 VanDerWaalsContact O-CG2 3.28Å; K255-T259 WeakPolarHBondContact O-CG2 3.28Å; K255-T259 PolarHBondContact O-N 2.9Å; E256-T259 PolarHBondContact O-N 2.83Å; E256-T259 PolarHBondContact O-OG1 3.31Å; V257-T259 PolarHBondContact O-N 2.51Å; T259-S261 PolarHBondContact O-N 3.45Å; T259-V276 HydrophobicContact CG2-CG1 3.42Å; T259-V276 VanDerWaalsContact CG2-CG1 3.42Å; T259-N280 WeakPolarHBondContact CG2-ND2 3.44Å
260D88.1Confident83.9Confident49 Ų4952.7 Ų52.726%0.26228%0.284SS..  trans-64.7130.9-179.3-169.5-64.3000111.1V244 E256 V257 V262 V263 M264V244-D260 HydrophobicContact CG1-CB 3.99Å; E256-D260 PolarHBondContact O-N 3.14Å; V257-D260 WeakPolarHBondContact O-CB 3.35Å; V257-D260 PolarHBondContact O-N 2.99Å; D260-V262 PolarHBondContact O-N 2.89Å; D260-V262 VanDerWaalsContact O-N 3.15Å; D260-V262 WeakPolarHBondContact OD1-CB 3.48Å; D260-V262 WeakPolarHBondContact OD1-CG2 3.16Å; D260-V262 PolarHBondContact OD1-N 2.65Å; D260-V263 HydrophobicContact CB-CB 4.46Å; D260-V263 HydrophobicContact CB-CG2 4.22Å; D260-V263 PolarHBondContact O-N 3.16Å; D260-M264 VanDerWaalsContact O-CG 3.31Å; D260-M264 WeakPolarHBondContact O-CG 2.92Å; D260-M264 PolarHBondContact O-N 3.01Å
261S86.6Confident83.2Confident94 Ų9450.1 Ų50.166%0.65727%0.271SS*.Hα-helixtrans-52.9-35.3-179.564.70000114T259 S265T259-S261 PolarHBondContact O-N 3.45Å; S261-S265 WeakPolarHBondContact O-CB 3.33Å; S261-S265 PolarHBondContact O-N 3.43Å
262V85.5Confident82.7Confident77 Ų7747.6 Ų47.647%0.46726%0.261SS..Hα-helixtrans-67.4-43179.2-178.90000110.2D260 S265D260-V262 PolarHBondContact O-N 2.89Å; D260-V262 VanDerWaalsContact O-N 3.15Å; D260-V262 WeakPolarHBondContact OD1-CB 3.48Å; D260-V262 WeakPolarHBondContact OD1-CG2 3.16Å; D260-V262 PolarHBondContact OD1-N 2.65Å; V262-S265 PolarHBondContact O-OG 3.06Å
263V84.2Confident82.4Confident0 Ų043.7 Ų43.70%024%0.244CC..Hα-helixtrans-69.4-46.4178.6177.30000110.3I207 M242 V244 V257 L258 D260 S265 K266 L267I207-V263 HydrophobicContact CD1-CG1 3.59Å; I207-V263 HydrophobicContact CD1-CG2 4.12Å; I207-V263 HydrophobicContact CG1-CG2 4.46Å; M242-V263 HydrophobicContact CE-CG2 4.32Å; V244-V263 HydrophobicContact CB-CG2 4.48Å; V244-V263 HydrophobicContact CG1-CG2 4.17Å; V244-V263 HydrophobicContact CG2-CG2 3.54Å; V257-V263 WeakPolarHBondContact O-CG2 3.44Å; L258-V263 HydrophobicContact CD2-CG1 4.46Å; D260-V263 HydrophobicContact CB-CB 4.46Å; D260-V263 HydrophobicContact CB-CG2 4.22Å; D260-V263 PolarHBondContact O-N 3.16Å; V263-S265 VanDerWaalsContact C-N 3.28Å; V263-S265 PolarHBondContact O-N 2.84Å; V263-K266 PolarHBondContact O-N 3.3Å; V263-K266 VanDerWaalsContact O-N 3.1Å; V263-L267 HydrophobicContact CG1-CD1 3.6Å; V263-L267 HydrophobicContact CG1-CG 4.31Å; V263-L267 WeakPolarHBondContact O-CB 3.44Å; V263-L267 WeakPolarHBondContact O-CG 3.36Å; V263-L267 PolarHBondContact O-N 2.68Å; V263-L267 VanDerWaalsContact O-N 3.12Å
264M82.7Confident82Confident35 Ų3545.7 Ų45.717%0.17226%0.258CS..Hα-helixtrans-58-39.4179-70-66.5-76.600112.2L258 D260 K266 L267 V268 T273 T277L258-M264 WeakPolarHBondContact O-CG 3.45Å; D260-M264 VanDerWaalsContact O-CG 3.31Å; D260-M264 WeakPolarHBondContact O-CG 2.92Å; D260-M264 PolarHBondContact O-N 3.01Å; M264-K266 VanDerWaalsContact C-N 3.25Å; M264-K266 PolarHBondContact O-N 2.98Å; M264-L267 CarbonylContact O-C 3.55Å; M264-L267 PolarHBondContact O-N 3.06Å; M264-L267 VanDerWaalsContact O-N 3.11Å; M264-V268 PolarHBondContact O-N 3.42Å; M264-T273 HydrophobicContact CE-CG2 3.21Å; M264-T273 HydrophobicContact SD-CG2 3.65Å; M264-T277 WeakPolarHBondContact CE-OG1 3.35Å
265S82Confident81.9Confident78 Ų7845.8 Ų45.855%0.54526%0.259SS..Hα-helixtrans-62.8-28.5178.475.70000114S261 V262 V263 V268S261-S265 WeakPolarHBondContact O-CB 3.33Å; S261-S265 PolarHBondContact O-N 3.43Å; V262-S265 PolarHBondContact O-OG 3.06Å; V263-S265 VanDerWaalsContact C-N 3.28Å; V263-S265 PolarHBondContact O-N 2.84Å; S265-V268 VanDerWaalsContact O-CG2 3.26Å; S265-V268 WeakPolarHBondContact O-CG2 3.32Å
266K76.2Confident82Confident112 Ų11244 Ų4449%0.48725%0.251SS..Hα-helixtrans-89.2-19.9175.6-65.3-139.2-169.3168.30113.2M242 V263 M264M242-K266 HydrophobicContact CE-CB 4.48Å; M242-K266 HydrophobicContact CE-CD 4.41Å; M242-K266 HydrophobicContact SD-CB 4.33Å; M242-K266 HydrophobicContact SD-CD 3.37Å; M242-K266 WeakPolarHBondContact SD-CD 3.29Å; M242-K266 WeakPolarHBondContact SD-CE 3.45Å; M242-K266 HydrophobicContact SD-CG 3.8Å; V263-K266 PolarHBondContact O-N 3.3Å; V263-K266 VanDerWaalsContact O-N 3.1Å; M264-K266 VanDerWaalsContact C-N 3.25Å; M264-K266 PolarHBondContact O-N 2.98Å
267L73.4Confident82Confident4 Ų443.1 Ų43.12%0.02125%0.251CS..SBendtrans-94.49.6-179-79.4-177.9000114.6L137 L258 V263 M264 N269 T270 T273L137-L267 HydrophobicContact CD1-CD1 3.39Å; L137-L267 HydrophobicContact CD1-CD2 3.51Å; L137-L267 HydrophobicContact CD1-CG 3.88Å; L137-L267 HydrophobicContact CD2-CD2 3.42Å; L137-L267 VanDerWaalsContact CD2-CD2 3.42Å; L137-L267 HydrophobicContact CD2-CG 4.24Å; L137-L267 HydrophobicContact CG-CD1 4.45Å; L137-L267 HydrophobicContact CG-CD2 3.61Å; L137-L267 HydrophobicContact CG-CG 4.46Å; L258-L267 HydrophobicContact CD2-CD1 4.26Å; V263-L267 HydrophobicContact CG1-CD1 3.6Å; V263-L267 HydrophobicContact CG1-CG 4.31Å; V263-L267 WeakPolarHBondContact O-CB 3.44Å; V263-L267 WeakPolarHBondContact O-CG 3.36Å; V263-L267 PolarHBondContact O-N 2.68Å; V263-L267 VanDerWaalsContact O-N 3.12Å; M264-L267 CarbonylContact O-C 3.55Å; M264-L267 PolarHBondContact O-N 3.06Å; M264-L267 VanDerWaalsContact O-N 3.11Å; L267-N269 PolarHBondContact O-N 3.12Å; L267-T270 WeakPolarHBondContact O-CB 3.39Å; L267-T270 PolarHBondContact O-N 3.25Å; L267-T270 PolarHBondContact O-OG1 3.35Å; L267-T273 WeakPolarHBondContact CB-OG1 3.46Å; L267-T273 PolarHBondContact O-OG1 2.78Å
268V69.5Low82.1Confident87 Ų8743.3 Ų43.353%0.52725%0.252SS..THydrogen-bonded Turntrans-50.7130.1176.21790000109.2M264 S265M264-V268 PolarHBondContact O-N 3.42Å; S265-V268 VanDerWaalsContact O-CG2 3.26Å; S265-V268 WeakPolarHBondContact O-CG2 3.32Å
269N66.1Low82.3Confident142 Ų14243.1 Ų43.176%0.75925%0.252SS*.THydrogen-bonded Turntrans74.917.2-177.3-47-36.9000116.9L267L267-N269 PolarHBondContact O-N 3.12Å
270T73.5Confident82.6Confident7 Ų743.4 Ų43.44%0.04325%0.251CS..  trans-95.8140.8169.5-47.50000110.7A135 L267 A272 T273 S274A135-T270 HydrophobicContact CB-CG2 3.84Å; L267-T270 WeakPolarHBondContact O-CB 3.39Å; L267-T270 PolarHBondContact O-N 3.25Å; L267-T270 PolarHBondContact O-OG1 3.35Å; T270-A272 VanDerWaalsContact C-N 3.29Å; T270-A272 HydrophobicContact CG2-CB 4.22Å; T270-A272 PolarHBondContact O-N 3.31Å; T270-T273 VanDerWaalsContact O-CB 3.23Å; T270-T273 WeakPolarHBondContact O-CB 3.24Å; T270-T273 PolarHBondContact O-N 2.61Å; T270-T273 VanDerWaalsContact O-N 3.14Å; T270-T273 PolarHBondContact O-OG1 3.43Å; T270-S274 PolarHBondContact O-N 3.02Å
271K77.4Confident82.8Confident33 Ų3345 Ų4514%0.14326%0.26CS..Hα-helixtrans-51.8-45.7174.6-178.9173.3174.5170.60112.7T155 T273 S274 E275T155-K271 HydrophobicContact CG2-CD 4.19Å; K271-T273 VanDerWaalsContact C-N 3.28Å; K271-T273 PolarHBondContact O-N 3.08Å; K271-S274 WeakPolarHBondContact O-CB 3.37Å; K271-S274 PolarHBondContact O-N 3.42Å; K271-S274 PolarHBondContact O-OG 3.17Å; K271-E275 WeakPolarHBondContact CE-OE1 3.4Å; K271-E275 PolarHBondContact O-N 2.72Å
272A78Confident83.3Confident4 Ų440.6 Ų40.63%0.03323%0.229CC..Hα-helixtrans-54.5-40.8178.700000113.2T270 S274 E275 V276T270-A272 VanDerWaalsContact C-N 3.29Å; T270-A272 HydrophobicContact CG2-CB 4.22Å; T270-A272 PolarHBondContact O-N 3.31Å; A272-S274 VanDerWaalsContact C-N 3.35Å; A272-S274 PolarHBondContact O-N 3.11Å; A272-E275 PolarHBondContact O-N 3.23Å; A272-V276 WeakPolarHBondContact O-CB 3.47Å; A272-V276 VanDerWaalsContact O-CG2 3.25Å; A272-V276 WeakPolarHBondContact O-CG2 3.04Å; A272-V276 PolarHBondContact O-N 3.37Å
273T81.4Confident83.7Confident19 Ų1939.9 Ų39.912%0.11722%0.218CC..Hα-helixtrans-58.3-47.6175.3-48.80000110.9M264 L267 T270 K271 E275 V276 T277M264-T273 HydrophobicContact CE-CG2 3.21Å; M264-T273 HydrophobicContact SD-CG2 3.65Å; L267-T273 WeakPolarHBondContact CB-OG1 3.46Å; L267-T273 PolarHBondContact O-OG1 2.78Å; T270-T273 VanDerWaalsContact O-CB 3.23Å; T270-T273 WeakPolarHBondContact O-CB 3.24Å; T270-T273 PolarHBondContact O-N 2.61Å; T270-T273 VanDerWaalsContact O-N 3.14Å; T270-T273 PolarHBondContact O-OG1 3.43Å; K271-T273 VanDerWaalsContact C-N 3.28Å; K271-T273 PolarHBondContact O-N 3.08Å; T273-E275 VanDerWaalsContact C-N 3.34Å; T273-E275 PolarHBondContact O-N 2.87Å; T273-V276 PolarHBondContact O-N 2.84Å; T273-T277 WeakPolarHBondContact O-CB 3.39Å; T273-T277 PolarHBondContact O-N 3.23Å; T273-T277 PolarHBondContact O-OG1 3.5Å; T273-T277 VanDerWaalsContact O-OG1 3.08Å
274S84.3Confident84.1Confident43 Ų4344.8 Ų44.830%0.30124%0.241SC..Hα-helixtrans-65-39.2-17981.20000111.7T270 K271 A272 A278 R345T270-S274 PolarHBondContact O-N 3.02Å; K271-S274 WeakPolarHBondContact O-CB 3.37Å; K271-S274 PolarHBondContact O-N 3.42Å; K271-S274 PolarHBondContact O-OG 3.17Å; A272-S274 VanDerWaalsContact C-N 3.35Å; A272-S274 PolarHBondContact O-N 3.11Å; S274-A278 WeakPolarHBondContact O-CB 3.39Å; S274-A278 PolarHBondContact O-N 3.37Å; S274-R345 VanDerWaalsContact C-NH1 3.28Å; S274-R345 PolarHBondContact O-NH1 3.1Å
275E87.9Confident84.7Confident3 Ų344.7 Ų44.71%0.01424%0.241CC..Hα-helixtrans-66-47.8176.4-74.5-174.9-167.900111.4K271 A272 T273 T277 A278 L279 F347 H351 S353K271-E275 WeakPolarHBondContact CE-OE1 3.4Å; K271-E275 PolarHBondContact O-N 2.72Å; A272-E275 PolarHBondContact O-N 3.23Å; T273-E275 VanDerWaalsContact C-N 3.34Å; T273-E275 PolarHBondContact O-N 2.87Å; E275-T277 PolarHBondContact O-N 2.96Å; E275-A278 PolarHBondContact O-N 2.98Å; E275-L279 PolarHBondContact O-N 2.79Å; E275-F347 HydrophobicContact CB-CD1 3.81Å; E275-F347 HydrophobicContact CB-CE1 3.45Å; E275-F347 VanDerWaalsContact CB-CE1 3.45Å; E275-F347 HydrophobicContact CB-CZ 4.05Å; E275-F347 HydrophobicContact CG-CD1 3.98Å; E275-F347 HydrophobicContact CG-CE1 3.96Å; E275-F347 HydrophobicContact CG-CG 4.42Å; E275-F347 HydrophobicContact CG-CZ 4.33Å; E275-F347 WeakPolarHBondContact O-CE1 3.43Å; E275-F347 WeakPolarHBondContact O-CZ 3.39Å; E275-H351 IonicContact OE2-ND1 3.85Å; E275-S353 PolarHBondContact OE2-OG 2.75Å
276V88.3Confident85.2Confident11 Ų1143.7 Ų43.77%0.06723%0.229CC..Hα-helixtrans-62.7-43.6179.7171.50000111.3L258 T259 A272 T273 L279 N280L258-V276 HydrophobicContact CB-CG1 4.48Å; L258-V276 HydrophobicContact CB-CG2 4.37Å; L258-V276 HydrophobicContact CD1-CG2 4.5Å; T259-V276 HydrophobicContact CG2-CG1 3.42Å; T259-V276 VanDerWaalsContact CG2-CG1 3.42Å; A272-V276 WeakPolarHBondContact O-CB 3.47Å; A272-V276 VanDerWaalsContact O-CG2 3.25Å; A272-V276 WeakPolarHBondContact O-CG2 3.04Å; A272-V276 PolarHBondContact O-N 3.37Å; T273-V276 PolarHBondContact O-N 2.84Å; V276-L279 PolarHBondContact O-N 3.21Å; V276-N280 WeakPolarHBondContact O-CB 3.42Å; V276-N280 PolarHBondContact O-N 3.33Å
277T90.4Very high85.9Confident50 Ų5045.7 Ų45.731%0.30724%0.238SC..Hα-helixtrans-60.8-48.8174.2-62.60000111.6M264 T273 E275 L279 N280 D281M264-T277 WeakPolarHBondContact CE-OG1 3.35Å; T273-T277 WeakPolarHBondContact O-CB 3.39Å; T273-T277 PolarHBondContact O-N 3.23Å; T273-T277 PolarHBondContact O-OG1 3.5Å; T273-T277 VanDerWaalsContact O-OG1 3.08Å; E275-T277 PolarHBondContact O-N 2.96Å; T277-L279 VanDerWaalsContact C-N 3.3Å; T277-L279 PolarHBondContact O-N 3.02Å; T277-N280 WeakPolarHBondContact O-CB 3.17Å; T277-N280 PolarHBondContact O-N 2.81Å; T277-N280 VanDerWaalsContact O-N 3.11Å; T277-D281 WeakPolarHBondContact CG2-OD2 3.28Å; T277-D281 PolarHBondContact O-N 3.49Å
278A93Very high86.9Confident4 Ų450.7 Ų50.73%0.03327%0.268CS..Hα-helixtrans-62.5-37.5-177.700000112.8S274 E275 F282 L313 F347S274-A278 WeakPolarHBondContact O-CB 3.39Å; S274-A278 PolarHBondContact O-N 3.37Å; E275-A278 PolarHBondContact O-N 2.98Å; A278-F282 PolarHBondContact O-N 3.4Å; A278-L313 HydrophobicContact CB-CD2 3.8Å; A278-F347 HydrophobicContact CB-CZ 4.31Å
279L93.3Very high87.8Confident2 Ų249 Ų491%0.0126%0.256CS..Hα-helixtrans-69.3-38.8175-174.765.4000112E275 V276 T277 F282 Y283 L313 F347 Q356E275-L279 PolarHBondContact O-N 2.79Å; V276-L279 PolarHBondContact O-N 3.21Å; T277-L279 VanDerWaalsContact C-N 3.3Å; T277-L279 PolarHBondContact O-N 3.02Å; L279-F282 HydrophobicContact CD1-CD1 4.47Å; L279-F282 WeakPolarHBondContact O-CB 3.09Å; L279-F282 PolarHBondContact O-N 3.4Å; L279-Y283 HydrophobicContact CD1-CD2 4.38Å; L279-Y283 HydrophobicContact CD1-CE2 3.92Å; L279-Y283 HydrophobicContact CD2-CE2 4.18Å; L279-Y283 HydrophobicContact CG-CD2 4.07Å; L279-Y283 HydrophobicContact CG-CE2 3.76Å; L279-Y283 WeakPolarHBondContact O-CD2 3.41Å; L279-Y283 PolarHBondContact O-N 3Å; L279-L313 HydrophobicContact CD1-CD1 4.45Å; L279-F347 HydrophobicContact CB-CE1 4.22Å; L279-F347 HydrophobicContact CB-CZ 4.41Å; L279-Q356 HydrophobicContact CD2-CB 3.8Å; L279-Q356 HydrophobicContact CD2-CG 4.39Å
280N92.4Very high88.9Confident57 Ų5749.4 Ų49.431%0.30525%0.253SS..Hα-helixtrans-63.1-44.6173.4-84.9-8.5000111.8T259 V276 T277 F282 Y283 Q284T259-N280 WeakPolarHBondContact CG2-ND2 3.44Å; V276-N280 WeakPolarHBondContact O-CB 3.42Å; V276-N280 PolarHBondContact O-N 3.33Å; T277-N280 WeakPolarHBondContact O-CB 3.17Å; T277-N280 PolarHBondContact O-N 2.81Å; T277-N280 VanDerWaalsContact O-N 3.11Å; N280-F282 PolarHBondContact O-N 2.97Å; N280-Y283 PolarHBondContact O-N 3.06Å; N280-Y283 VanDerWaalsContact O-N 3.14Å; N280-Q284 WeakPolarHBondContact O-CG 3.34Å; N280-Q284 PolarHBondContact O-N 3.36Å
281D93.4Very high89.6Confident84 Ų8451 Ų5145%0.44927%0.265SS..Hα-helixtrans-59.9-39.3177.7-65.7-18.2000110.7T277 Q284 M285 I366T277-D281 WeakPolarHBondContact CG2-OD2 3.28Å; T277-D281 PolarHBondContact O-N 3.49Å; D281-Q284 PolarHBondContact O-N 2.69Å; D281-M285 WeakPolarHBondContact O-CB 3.2Å; D281-M285 PolarHBondContact O-N 3.28Å; D281-I366 HydrophobicContact CB-CD1 4.02Å
282F95.6Very high90.4Very high0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-60.7-48.7172.3170.6-95.9000112.4A278 L279 N280 Q284 M285 L286 A293 F294 Y295 L313 L360 A364 I366A278-F282 PolarHBondContact O-N 3.4Å; L279-F282 HydrophobicContact CD1-CD1 4.47Å; L279-F282 WeakPolarHBondContact O-CB 3.09Å; L279-F282 PolarHBondContact O-N 3.4Å; N280-F282 PolarHBondContact O-N 2.97Å; F282-Q284 VanDerWaalsContact C-N 3.31Å; F282-Q284 PolarHBondContact O-N 3.45Å; F282-M285 PolarHBondContact O-N 3.29Å; F282-L286 PolarHBondContact O-N 3.28Å; F282-A293 HydrophobicContact CD2-CB 4.11Å; F282-A293 HydrophobicContact CE2-CB 3.86Å; F282-F294 WeakPolarHBondContact CE2-O 2.94Å; F282-Y295 HydrophobicContact CZ-CD1 4.35Å; F282-L313 HydrophobicContact CB-CD1 3.7Å; F282-L313 HydrophobicContact CD2-CD1 4.43Å; F282-L313 HydrophobicContact CG-CD1 4.04Å; F282-L360 HydrophobicContact CD1-CD1 4.44Å; F282-L360 HydrophobicContact CE1-CD1 3.66Å; F282-L360 HydrophobicContact CZ-CD1 4.43Å; F282-A364 HydrophobicContact CD2-CB 4.12Å; F282-A364 HydrophobicContact CE1-CB 4.36Å; F282-A364 HydrophobicContact CE2-CB 3.72Å; F282-A364 HydrophobicContact CZ-CB 3.85Å; F282-I366 HydrophobicContact CB-CD1 3.96Å; F282-I366 HydrophobicContact CB-CG1 3.95Å; F282-I366 HydrophobicContact CD2-CG1 4.09Å
283Y94Very high91.2Very high63 Ų6352.9 Ų52.925%0.24727%0.271CS..Hα-helixtrans-65.1-33.4176.7-78.9-62.4000113.2L279 N280 K287 L360L279-Y283 HydrophobicContact CD1-CD2 4.38Å; L279-Y283 HydrophobicContact CD1-CE2 3.92Å; L279-Y283 HydrophobicContact CD2-CE2 4.18Å; L279-Y283 HydrophobicContact CG-CD2 4.07Å; L279-Y283 HydrophobicContact CG-CE2 3.76Å; L279-Y283 WeakPolarHBondContact O-CD2 3.41Å; L279-Y283 PolarHBondContact O-N 3Å; N280-Y283 PolarHBondContact O-N 3.06Å; N280-Y283 VanDerWaalsContact O-N 3.14Å; Y283-K287 WeakPolarHBondContact O-CG 3.45Å; Y283-K287 PolarHBondContact O-N 3.26Å; Y283-L360 HydrophobicContact CE1-CD1 4.17Å
284Q94Very high91.8Very high102 Ų10252.3 Ų52.348%0.47727%0.267SS..Hα-helixtrans-67.5-43.9173.9-68.3-61.9-10.200110.5N280 D281 F282 L286 K287 T288N280-Q284 WeakPolarHBondContact O-CG 3.34Å; N280-Q284 PolarHBondContact O-N 3.36Å; D281-Q284 PolarHBondContact O-N 2.69Å; F282-Q284 VanDerWaalsContact C-N 3.31Å; F282-Q284 PolarHBondContact O-N 3.45Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-L286 PolarHBondContact O-N 2.68Å; Q284-K287 WeakPolarHBondContact O-CB 3.33Å; Q284-K287 PolarHBondContact O-N 2.93Å; Q284-T288 PolarHBondContact O-N 3.18Å; Q284-T288 PolarHBondContact O-OG1 3.24Å; Q284-T288 VanDerWaalsContact O-OG1 3.13Å
285M93.6Very high92.3Very high34 Ų3455.7 Ų55.717%0.16727%0.274CS..Hα-helixtrans-59.5-43.9176.5-167.163.564.500111.3D281 F282 K287 T288 D289 R292 A293 I366D281-M285 WeakPolarHBondContact O-CB 3.2Å; D281-M285 PolarHBondContact O-N 3.28Å; F282-M285 PolarHBondContact O-N 3.29Å; M285-K287 PolarHBondContact O-N 2.52Å; M285-T288 PolarHBondContact O-N 2.86Å; M285-T288 VanDerWaalsContact O-N 3.15Å; M285-T288 PolarHBondContact O-OG1 3.28Å; M285-D289 CarbonylContact O-C 3.6Å; M285-D289 VanDerWaalsContact O-C 3.24Å; M285-D289 PolarHBondContact O-N 3.47Å; M285-D289 VanDerWaalsContact O-O 3.04Å; M285-D289 HydrophobicContact SD-CB 4.33Å; M285-R292 HydrophobicContact CG-CB 3.8Å; M285-R292 HydrophobicContact SD-CB 3.75Å; M285-A293 HydrophobicContact CB-CB 3.98Å; M285-A293 HydrophobicContact CG-CB 3.87Å; M285-I366 HydrophobicContact CE-CG2 4.14Å; M285-I366 HydrophobicContact CG-CG2 4.41Å
286L92.5Very high92.6Very high56 Ų5656.4 Ų56.429%0.29328%0.282SS..Hα-helixtrans-60.3-30.4176.3-168.866.8000112.9F282 Q284 Q290 A293F282-L286 PolarHBondContact O-N 3.28Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-L286 PolarHBondContact O-N 2.68Å; L286-Q290 VanDerWaalsContact O-CG 3.29Å; L286-Q290 WeakPolarHBondContact O-CG 3.41Å; L286-A293 HydrophobicContact CB-CB 4.21Å; L286-A293 HydrophobicContact CD1-CB 4.27Å
287K92.5Very high92.9Very high155 Ų15558.7 Ų58.767%0.67429%0.29SS*.Hα-helixtrans-78.5-37.9175.5-69.6170.7-175177.40112.9Y283 Q284 M285Y283-K287 WeakPolarHBondContact O-CG 3.45Å; Y283-K287 PolarHBondContact O-N 3.26Å; Q284-K287 WeakPolarHBondContact O-CB 3.33Å; Q284-K287 PolarHBondContact O-N 2.93Å; M285-K287 PolarHBondContact O-N 2.52Å
288T93.2Very high93Very high109 Ų10962.5 Ų62.567%0.66930%0.302SS*.Hα-helixtrans-87.4-41.3-174.353.40000113.2Q284 M285Q284-T288 PolarHBondContact O-N 3.18Å; Q284-T288 PolarHBondContact O-OG1 3.24Å; Q284-T288 VanDerWaalsContact O-OG1 3.13Å; M285-T288 PolarHBondContact O-N 2.86Å; M285-T288 VanDerWaalsContact O-N 3.15Å; M285-T288 PolarHBondContact O-OG1 3.28Å
289D89.1Confident93.1Very high51 Ų5163.6 Ų63.627%0.27331%0.306SS..  trans-151.493.5-175.3-173.3-7.2000110.2M285 S291 R292M285-D289 CarbonylContact O-C 3.6Å; M285-D289 VanDerWaalsContact O-C 3.24Å; M285-D289 PolarHBondContact O-N 3.47Å; M285-D289 VanDerWaalsContact O-O 3.04Å; M285-D289 HydrophobicContact SD-CB 4.33Å; D289-S291 PolarHBondContact O-N 3.17Å; D289-S291 PolarHBondContact OD1-N 3.14Å; D289-S291 VanDerWaalsContact OD1-N 3.16Å; D289-S291 PolarHBondContact OD1-OG 2.91Å; D289-R292 HydrophobicContact CB-CB 4.4Å; D289-R292 HydrophobicContact CB-CG 4.47Å; D289-R292 PolarHBondContact O-N 3.18Å; D289-R292 VanDerWaalsContact O-N 3.08Å; D289-R292 WeakPolarHBondContact OD2-CD 3.36Å; D289-R292 VanDerWaalsContact OD2-CG 3.32Å; D289-R292 WeakPolarHBondContact OD2-CG 3.39Å
290Q88.1Confident93.2Very high150 Ų15063.5 Ų63.570%0.70131%0.306SS*.G310 helixtrans-59.7-27.8-178.2-67.5174.95.300112.5L286 R292 A293L286-Q290 VanDerWaalsContact O-CG 3.29Å; L286-Q290 WeakPolarHBondContact O-CG 3.41Å; Q290-R292 PolarHBondContact O-N 3.2Å; Q290-A293 PolarHBondContact O-N 3.46Å
291S90Very high93.3Very high41 Ų4162.9 Ų62.929%0.28730%0.3SS..G310 helixtrans-76.1-1.9-179.869.90000114D289 P370 I371D289-S291 PolarHBondContact O-N 3.17Å; D289-S291 PolarHBondContact OD1-N 3.14Å; D289-S291 VanDerWaalsContact OD1-N 3.16Å; D289-S291 PolarHBondContact OD1-OG 2.91Å; S291-P370 WeakPolarHBondContact O-CA 3.44Å; S291-P370 WeakPolarHBondContact OG-CB 3.46Å; S291-I371 PolarHBondContact O-N 3.03Å
292R93.4Very high93.3Very high73 Ų7361 Ų6128%0.27529%0.294SS..G310 helixtrans-115.95179.2-70.9-175.765.3-165.6-4.1114.5M285 D289 Q290 L367 R368 P370M285-R292 HydrophobicContact CG-CB 3.8Å; M285-R292 HydrophobicContact SD-CB 3.75Å; D289-R292 HydrophobicContact CB-CB 4.4Å; D289-R292 HydrophobicContact CB-CG 4.47Å; D289-R292 PolarHBondContact O-N 3.18Å; D289-R292 VanDerWaalsContact O-N 3.08Å; D289-R292 WeakPolarHBondContact OD2-CD 3.36Å; D289-R292 VanDerWaalsContact OD2-CG 3.32Å; D289-R292 WeakPolarHBondContact OD2-CG 3.39Å; Q290-R292 PolarHBondContact O-N 3.2Å; R292-L367 HydrophobicContact CB-CB 4.47Å; R292-L367 PolarHBondContact NE-O 3.1Å; R292-L367 VanDerWaalsContact NE-O 3.12Å; R292-L367 PolarHBondContact NH2-O 2.88Å; R292-L367 PolarHBondContact O-N 2.99Å; R292-R368 PolarHBondContact NH2-O 3.36Å; R292-P370 HydrophobicContact CG-CB 4.01Å
293A95Very high93.3Very high3 Ų361 Ų613%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-136.7109.6179.200000110.1F282 M285 L286 Q290 A365F282-A293 HydrophobicContact CD2-CB 4.11Å; F282-A293 HydrophobicContact CE2-CB 3.86Å; M285-A293 HydrophobicContact CB-CB 3.98Å; M285-A293 HydrophobicContact CG-CB 3.87Å; L286-A293 HydrophobicContact CB-CB 4.21Å; L286-A293 HydrophobicContact CD1-CB 4.27Å; Q290-A293 PolarHBondContact O-N 3.46Å; A293-A365 WeakPolarHBondContact CA-O 3.29Å
294F94.7Very high93.4Very high8 Ų858 Ų584%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-113147.8179.8-70-14000111.4F282 H299 V300 A303 A364 A365 L367 I371F282-F294 WeakPolarHBondContact CE2-O 2.94Å; F294-H299 HydrophobicContact CB-CB 3.94Å; F294-H299 HydrophobicContact CD2-CB 4.14Å; F294-H299 HydrophobicContact CG-CB 4.11Å; F294-V300 HydrophobicContact CB-CG2 4.45Å; F294-A303 HydrophobicContact CD2-CB 3.92Å; F294-A303 HydrophobicContact CE2-CB 4.33Å; F294-A364 CarbonylContact O-C 3.51Å; F294-A364 VanDerWaalsContact O-CA 3.25Å; F294-A364 WeakPolarHBondContact O-CA 3.39Å; F294-A365 PolarHBondContact N-O 3.45Å; F294-A365 PolarHBondContact O-N 3.13Å; F294-L367 HydrophobicContact CD2-CD1 3.94Å; F294-L367 HydrophobicContact CE2-CD1 3.89Å; F294-L367 HydrophobicContact CG-CD1 4.39Å; F294-L367 HydrophobicContact CZ-CD1 4.31Å; F294-I371 HydrophobicContact CE2-CB 4.26Å; F294-I371 HydrophobicContact CE2-CG2 4.31Å; F294-I371 HydrophobicContact CZ-CB 4.3Å; F294-I371 WeakPolarHBondContact CZ-O 3.47Å
295Y94.8Very high93.4Very high114 Ų11457.5 Ų57.545%0.44728%0.283SS..EExtended strand (participates in β ladder)trans-134.1156.4168.666.1-87000109.6F282 H299 L360 V363F282-Y295 HydrophobicContact CZ-CD1 4.35Å; Y295-H299 PolarHBondContact O-ND1 3.42Å; Y295-L360 HydrophobicContact CD2-CB 4.43Å; Y295-V363 WeakPolarHBondContact CA-O 3.37Å
296G94.2Very high93.4Very high17 Ų1758 Ų5818%0.17529%0.293CS..SBendtrans93.3141.8-172.500000113.1K298 H299 V300 S361 V363G296-K298 PolarHBondContact O-N 3.16Å; G296-H299 PolarHBondContact O-N 3.37Å; G296-V300 WeakPolarHBondContact O-CB 3.37Å; G296-V300 VanDerWaalsContact O-CG2 3.3Å; G296-V300 WeakPolarHBondContact O-CG2 3.29Å; G296-V300 PolarHBondContact O-N 3.31Å; G296-S361 VanDerWaalsContact CA-OG 3.25Å; G296-S361 WeakPolarHBondContact CA-OG 3.48Å; G296-S361 PolarHBondContact N-OG 3.34Å; G296-V363 PolarHBondContact N-O 3.07Å
297Y93.6Very high93.4Very high59 Ų5958.1 Ų58.123%0.23130%0.298CS..Hα-helixtrans-57.7-47.3-173.6178.2-101.8000112.9H299 V300 K301 Q329 Y330Y297-H299 PolarHBondContact O-N 2.9Å; Y297-V300 PolarHBondContact O-N 3.35Å; Y297-K301 WeakPolarHBondContact O-CB 3.41Å; Y297-K301 PolarHBondContact O-N 2.97Å; Y297-Q329 HydrophobicContact CE2-CB 4.15Å; Y297-Q329 WeakPolarHBondContact OH-CB 3.24Å; Y297-Y330 HydrophobicContact CD2-CD1 4.09Å; Y297-Y330 AromaticContact CD2-CE1 3.51Å; Y297-Y330 HydrophobicContact CD2-CE1 3.51Å; Y297-Y330 AromaticContact CD2-CZ 3.85Å; Y297-Y330 HydrophobicContact CE2-CD1 4.34Å; Y297-Y330 HydrophobicContact CE2-CE1 4.19Å; Y297-Y330 HydrophobicContact CG-CE1 4.42Å
298K93.5Very high93.5Very high130 Ų13050.8 Ų50.857%0.56527%0.265SS*.Hα-helixtrans-58.5-48.1-179.3-69.3-173.3177.4-177.40111.7G296 K301 S302 D377G296-K298 PolarHBondContact O-N 3.16Å; K298-K301 PolarHBondContact O-N 3.03Å; K298-S302 PolarHBondContact O-N 3.36Å; K298-D377 IonicContact NZ-OD2 3.95Å; K298-D377 PolarHBondContact NZ-OD2 2.96Å
299H93.9Very high93.7Very high28 Ų2845.8 Ų45.813%0.1324%0.235CC..Hα-helixtrans-67.7-44.8-177.9-58.9173.7000111.6F294 Y295 G296 Y297 K301 S302 A303 E373 P374 T376F294-H299 HydrophobicContact CB-CB 3.94Å; F294-H299 HydrophobicContact CD2-CB 4.14Å; F294-H299 HydrophobicContact CG-CB 4.11Å; Y295-H299 PolarHBondContact O-ND1 3.42Å; G296-H299 PolarHBondContact O-N 3.37Å; Y297-H299 PolarHBondContact O-N 2.9Å; H299-K301 PolarHBondContact O-N 2.95Å; H299-S302 PolarHBondContact O-N 3.39Å; H299-A303 PolarHBondContact O-N 3.46Å; H299-E373 IonicContact CE1-OE1 2.66Å; H299-E373 PolarHBondContact CE1-OE1 2.83Å; H299-E373 IonicContact ND1-OE1 3.88Å; H299-P374 HydrophobicContact CB-CG 4.39Å; H299-T376 WeakPolarHBondContact NE2-CG2 3.47Å
300V95.7Very high94Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-66.4-38.9178.5175.50000111.1F294 G296 Y297 A303 A304 I309 L312 L333 V363 A365F294-V300 HydrophobicContact CB-CG2 4.45Å; G296-V300 WeakPolarHBondContact O-CB 3.37Å; G296-V300 VanDerWaalsContact O-CG2 3.3Å; G296-V300 WeakPolarHBondContact O-CG2 3.29Å; G296-V300 PolarHBondContact O-N 3.31Å; Y297-V300 PolarHBondContact O-N 3.35Å; V300-A303 PolarHBondContact O-N 2.69Å; V300-A304 WeakPolarHBondContact O-CB 3.29Å; V300-A304 PolarHBondContact O-N 2.94Å; V300-I309 HydrophobicContact CG1-CD1 3.96Å; V300-L312 HydrophobicContact CG1-CD1 3.6Å; V300-L333 HydrophobicContact CG1-CD1 4.3Å; V300-L333 HydrophobicContact CG1-CD2 3.93Å; V300-V363 HydrophobicContact CB-CG2 4.3Å; V300-V363 HydrophobicContact CG1-CG2 4.05Å; V300-V363 HydrophobicContact CG2-CG2 4.23Å; V300-A365 HydrophobicContact CG1-CB 4.04Å; V300-A365 HydrophobicContact CG2-CB 4.08Å
301K95Very high94.5Very high43 Ų4339.9 Ų39.919%0.18721%0.208CC..Hα-helixtrans-63.4-44.8175.6-17851.8172.6152.10111.5Y297 K298 H299 A303 A304 D305 L333Y297-K301 WeakPolarHBondContact O-CB 3.41Å; Y297-K301 PolarHBondContact O-N 2.97Å; K298-K301 PolarHBondContact O-N 3.03Å; H299-K301 PolarHBondContact O-N 2.95Å; K301-A303 VanDerWaalsContact C-N 3.28Å; K301-A303 PolarHBondContact O-N 3.12Å; K301-A304 WeakPolarHBondContact O-CB 3.4Å; K301-A304 PolarHBondContact O-N 3.25Å; K301-A304 VanDerWaalsContact O-N 3.1Å; K301-D305 WeakPolarHBondContact CE-OD1 3.48Å; K301-D305 IonicContact NZ-OD1 2.69Å; K301-D305 PolarHBondContact NZ-OD1 2.97Å; K301-D305 IonicContact NZ-OD2 3.72Å; K301-D305 VanDerWaalsContact O-CG 3.27Å; K301-D305 PolarHBondContact O-N 3.42Å; K301-L333 HydrophobicContact CD-CD1 4.42Å
302S93.7Very high94.8Very high44 Ų4437.9 Ų37.931%0.30820%0.195SC..Hα-helixtrans-57.9-40.6173.9-170.70000112.3K298 H299 D305 A306K298-S302 PolarHBondContact O-N 3.36Å; H299-S302 PolarHBondContact O-N 3.39Å; S302-D305 PolarHBondContact O-N 3.46Å; S302-A306 WeakPolarHBondContact O-CB 3.49Å; S302-A306 PolarHBondContact O-N 2.85Å; S302-A306 VanDerWaalsContact O-N 3.09Å
303A95.1Very high95Very high0 Ų034.4 Ų34.40%018%0.182CC..Hα-helixtrans-70-32.8176.300000113.5F294 H299 V300 K301 A306 C307 A308 I309 L367F294-A303 HydrophobicContact CD2-CB 3.92Å; F294-A303 HydrophobicContact CE2-CB 4.33Å; H299-A303 PolarHBondContact O-N 3.46Å; V300-A303 PolarHBondContact O-N 2.69Å; K301-A303 VanDerWaalsContact C-N 3.28Å; K301-A303 PolarHBondContact O-N 3.12Å; A303-A306 PolarHBondContact O-N 2.68Å; A303-C307 PolarHBondContact O-N 2.92Å; A303-A308 PolarHBondContact O-N 3.2Å; A303-I309 HydrophobicContact CB-CD1 4.31Å; A303-I309 HydrophobicContact CB-CG1 3.96Å; A303-L367 HydrophobicContact CB-CD1 4.11Å; A303-L367 HydrophobicContact CB-CD2 3.58Å
304A95.1Very high95Very high1 Ų134.3 Ų34.31%0.00818%0.18CC..Hα-helixtrans-67.4-41.8173.800000111.3V300 K301 A306 C307 I309 L333 Q336 V337V300-A304 WeakPolarHBondContact O-CB 3.29Å; V300-A304 PolarHBondContact O-N 2.94Å; K301-A304 WeakPolarHBondContact O-CB 3.4Å; K301-A304 PolarHBondContact O-N 3.25Å; K301-A304 VanDerWaalsContact O-N 3.1Å; A304-A306 VanDerWaalsContact C-N 3.27Å; A304-A306 PolarHBondContact O-N 3.01Å; A304-C307 WeakPolarHBondContact O-CA 3.33Å; A304-C307 PolarHBondContact O-N 3.44Å; A304-I309 HydrophobicContact CB-CD1 3.65Å; A304-L333 HydrophobicContact CB-CD1 3.46Å; A304-L333 VanDerWaalsContact CB-CD1 3.46Å; A304-Q336 HydrophobicContact CB-CG 4.49Å; A304-Q336 PolarHBondContact O-NE2 2.91Å; A304-V337 HydrophobicContact CB-CG2 4.45Å
305D94Very high95Very high91 Ų9133.9 Ų33.949%0.48718%0.179SC..Hα-helixtrans-66.6-30.6177.4-66.3-20.6000112K301 S302 C307 Q336K301-D305 WeakPolarHBondContact CE-OD1 3.48Å; K301-D305 IonicContact NZ-OD1 2.69Å; K301-D305 PolarHBondContact NZ-OD1 2.97Å; K301-D305 IonicContact NZ-OD2 3.72Å; K301-D305 VanDerWaalsContact O-CG 3.27Å; K301-D305 PolarHBondContact O-N 3.42Å; S302-D305 PolarHBondContact O-N 3.46Å; D305-C307 VanDerWaalsContact C-N 3.25Å; D305-C307 PolarHBondContact O-N 3.05Å; D305-Q336 PolarHBondContact OD1-NE2 3.43Å
306A93.3Very high94.9Very high46 Ų4628.8 Ų28.838%0.3816%0.159SC..THydrogen-bonded Turntrans-81.43.9170.400000114.3S302 A303 A304 A308 I371S302-A306 WeakPolarHBondContact O-CB 3.49Å; S302-A306 PolarHBondContact O-N 2.85Å; S302-A306 VanDerWaalsContact O-N 3.09Å; A303-A306 PolarHBondContact O-N 2.68Å; A304-A306 VanDerWaalsContact C-N 3.27Å; A304-A306 PolarHBondContact O-N 3.01Å; A306-A308 PolarHBondContact O-N 3.16Å; A306-A308 VanDerWaalsContact O-N 3.14Å; A306-I371 HydrophobicContact CB-CD1 3.39Å
307C94.2Very high94.6Very high58 Ų5829.5 Ų29.539%0.39216%0.164SC..THydrogen-bonded Turntrans53.331.8-179-58.70000114.3A303 A304 D305 N340A303-C307 PolarHBondContact O-N 2.92Å; A304-C307 WeakPolarHBondContact O-CA 3.33Å; A304-C307 PolarHBondContact O-N 3.44Å; D305-C307 VanDerWaalsContact C-N 3.25Å; D305-C307 PolarHBondContact O-N 3.05Å; C307-N340 PolarHBondContact SG-ND2 3.12Å; C307-N340 VanDerWaalsContact SG-ND2 3.36Å
308A94.6Very high94.5Very high0 Ų027.8 Ų27.80%016%0.158CC..  trans-101.1-8.5-171.700000114.4A303 A306 D310 L367 R368 F369 I371A303-A308 PolarHBondContact O-N 3.2Å; A306-A308 PolarHBondContact O-N 3.16Å; A306-A308 VanDerWaalsContact O-N 3.14Å; A308-D310 PolarHBondContact O-N 2.99Å; A308-L367 CarbonylContact O-C 3.55Å; A308-L367 VanDerWaalsContact O-CA 3.27Å; A308-L367 WeakPolarHBondContact O-CA 3.34Å; A308-R368 PolarHBondContact O-N 3.11Å; A308-F369 HydrophobicContact CB-CD1 4.35Å; A308-F369 HydrophobicContact CB-CD2 4.22Å; A308-F369 HydrophobicContact CB-CE1 3.77Å; A308-F369 HydrophobicContact CB-CE2 3.63Å; A308-F369 HydrophobicContact CB-CZ 3.37Å; A308-I371 HydrophobicContact CB-CD1 3.24Å; A308-I371 HydrophobicContact CB-CG1 4.1Å
309I96.7Very high94.2Very high4 Ų422.5 Ų22.52%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-69.4122.2-176.9-62.3179.1000109.8V300 A303 A304 L312 V337 A365 L367V300-I309 HydrophobicContact CG1-CD1 3.96Å; A303-I309 HydrophobicContact CB-CD1 4.31Å; A303-I309 HydrophobicContact CB-CG1 3.96Å; A304-I309 HydrophobicContact CB-CD1 3.65Å; I309-L312 HydrophobicContact CG2-CB 4.12Å; I309-V337 HydrophobicContact CB-CG1 4.42Å; I309-V337 HydrophobicContact CB-CG2 4.18Å; I309-V337 HydrophobicContact CD1-CG2 3.68Å; I309-V337 HydrophobicContact CG1-CG2 4.5Å; I309-V337 HydrophobicContact CG2-CG1 3.84Å; I309-V337 HydrophobicContact CG2-CG2 4.08Å; I309-A365 HydrophobicContact CD1-CB 4.08Å; I309-A365 HydrophobicContact CG1-CB 4.07Å; I309-A365 HydrophobicContact CG2-CB 4.15Å; I309-L367 HydrophobicContact CB-CD2 4.48Å; I309-L367 HydrophobicContact CG1-CD2 3.84Å
310D96.1Very high93.8Very high64 Ų6423.9 Ų23.934%0.34214%0.139SC..EExtended strand (participates in β ladder)trans-87.4-53.9168.8-171.449.6000110.5A308 G342 I343 I366 R368A308-D310 PolarHBondContact O-N 2.99Å; D310-G342 CarbonylContact O-C 3.48Å; D310-G342 WeakPolarHBondContact O-CA 3.13Å; D310-I343 PolarHBondContact O-N 3.4Å; D310-I366 WeakPolarHBondContact CB-O 3.22Å; D310-I366 PolarHBondContact N-O 3.39Å; D310-R368 HydrophobicContact CB-CG 3.63Å; D310-R368 IonicContact OD1-NE 3.33Å
311T96.9Very high93Very high13 Ų1325.1 Ų25.18%0.0815%0.148CC..EExtended strand (participates in β ladder)trans-129.1121.2178.8-59.30000110.7L313 I343 R345 A365 I366T311-L313 HydrophobicContact CG2-CD2 3.73Å; T311-I343 CarbonylContact C-O 3.55Å; T311-I343 VanDerWaalsContact CA-O 3.25Å; T311-I343 WeakPolarHBondContact CA-O 2.99Å; T311-R345 HydrophobicContact CG2-CG 4.4Å; T311-A365 WeakPolarHBondContact O-CA 3.31Å; T311-I366 PolarHBondContact N-O 2.87Å; T311-I366 VanDerWaalsContact N-O 3.15Å; T311-I366 PolarHBondContact O-N 3.32Å
312L97.2Very high92.1Very high0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-93.6127.4171.7179.769.4000109.7V300 I309 L333 V334 V337 I343 V344 R345 V363 A365V300-L312 HydrophobicContact CG1-CD1 3.6Å; I309-L312 HydrophobicContact CG2-CB 4.12Å; L312-L333 HydrophobicContact CD1-CD2 4.38Å; L312-L333 HydrophobicContact CD2-CG 4.29Å; L312-V334 HydrophobicContact CD2-CG2 3.98Å; L312-V337 HydrophobicContact CB-CG1 4Å; L312-V337 HydrophobicContact CB-CG2 4.4Å; L312-V337 HydrophobicContact CD2-CB 4.35Å; L312-V337 HydrophobicContact CD2-CG2 4.09Å; L312-I343 PolarHBondContact N-O 3.44Å; L312-V344 HydrophobicContact CB-CG2 4.21Å; L312-V344 HydrophobicContact CD2-CG1 4.13Å; L312-V344 HydrophobicContact CD2-CG2 4.15Å; L312-R345 PolarHBondContact O-N 3.36Å; L312-V363 HydrophobicContact CD1-CG2 4.18Å; L312-A365 HydrophobicContact CD1-CB 4.44Å
313L97.1Very high91.7Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-108.7119.7173.7-46.5179.8000108A278 L279 F282 T311 R345 F347 L357 V363 A364A278-L313 HydrophobicContact CB-CD2 3.8Å; L279-L313 HydrophobicContact CD1-CD1 4.45Å; F282-L313 HydrophobicContact CB-CD1 3.7Å; F282-L313 HydrophobicContact CD2-CD1 4.43Å; F282-L313 HydrophobicContact CG-CD1 4.04Å; T311-L313 HydrophobicContact CG2-CD2 3.73Å; L313-R345 HydrophobicContact CD2-CB 4.33Å; L313-F347 HydrophobicContact CB-CD2 4.36Å; L313-F347 HydrophobicContact CB-CE2 3.81Å; L313-F347 HydrophobicContact CD2-CE2 3.61Å; L313-F347 HydrophobicContact CD2-CZ 3.95Å; L313-F347 HydrophobicContact CG-CE2 4.2Å; L313-L357 HydrophobicContact CB-CD1 4.26Å; L313-L357 HydrophobicContact CB-CD2 3.82Å; L313-V363 WeakPolarHBondContact O-CA 3.44Å; L313-A364 WeakPolarHBondContact CA-O 3.35Å; L313-A364 HydrophobicContact CB-CB 4.34Å; L313-A364 HydrophobicContact CD1-CB 4.47Å; L313-A364 PolarHBondContact N-O 2.85Å; L313-A364 PolarHBondContact O-N 2.9Å
314I95.8Very high91.1Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-140141.2-179-168.9163.7000111.1L318 F319 Y330 V334 V344 R345 I346 F347 G362 V363I314-L318 HydrophobicContact CD1-CD1 4.24Å; I314-L318 HydrophobicContact CG1-CD1 3.82Å; I314-F319 HydrophobicContact CD1-CE1 4.18Å; I314-F319 HydrophobicContact CD1-CE2 4.14Å; I314-F319 HydrophobicContact CD1-CZ 3.59Å; I314-F319 HydrophobicContact CG1-CE2 4.13Å; I314-F319 HydrophobicContact CG1-CZ 4.07Å; I314-F319 HydrophobicContact CG2-CE2 4Å; I314-F319 HydrophobicContact CG2-CZ 3.94Å; I314-Y330 HydrophobicContact CD1-CD1 3.53Å; I314-Y330 HydrophobicContact CD1-CE1 4.31Å; I314-Y330 HydrophobicContact CD1-CG 4.07Å; I314-V334 HydrophobicContact CD1-CG2 4.48Å; I314-V334 HydrophobicContact CG2-CG2 4.44Å; I314-V344 HydrophobicContact CG2-CG1 4.39Å; I314-R345 PolarHBondContact N-O 3.2Å; I314-R345 VanDerWaalsContact N-O 3.09Å; I314-I346 HydrophobicContact CG2-CB 4.47Å; I314-I346 HydrophobicContact CG2-CG1 3.87Å; I314-I346 CarbonylContact O-C 3.56Å; I314-I346 VanDerWaalsContact O-CA 3.28Å; I314-I346 WeakPolarHBondContact O-CA 3.17Å; I314-F347 PolarHBondContact O-N 3.1Å; I314-G362 CarbonylContact C-O 3.3Å; I314-G362 WeakPolarHBondContact CA-O 3.23Å; I314-V363 HydrophobicContact CD1-CG2 4.47Å
315T94.6Very high90.8Very high0 Ų046.7 Ų46.70%024%0.243CC..EExtended strand (participates in β ladder)trans-88.8147.6177.563.20000112.7A317 L318 F347 L357 N358 G362T315-A317 PolarHBondContact O-N 2.85Å; T315-L318 PolarHBondContact O-N 2.84Å; T315-F347 CarbonylContact C-O 3.51Å; T315-F347 WeakPolarHBondContact CA-O 3.42Å; T315-F347 HydrophobicContact CG2-CB 4.26Å; T315-L357 HydrophobicContact CG2-CB 3.76Å; T315-L357 HydrophobicContact CG2-CD2 3.63Å; T315-L357 HydrophobicContact CG2-CG 3.69Å; T315-N358 VanDerWaalsContact CB-OD1 3.27Å; T315-N358 WeakPolarHBondContact CB-OD1 3.28Å; T315-N358 VanDerWaalsContact CG2-OD1 3.22Å; T315-N358 WeakPolarHBondContact CG2-OD1 3.43Å; T315-N358 PolarHBondContact OG1-OD1 2.9Å; T315-G362 PolarHBondContact N-O 3.2Å
316D91.7Very high90.6Very high6 Ų645.1 Ų45.13%0.03223%0.233CC..Hα-helixtrans-60.4-24.9176.366.5-3.3000113.6W27 N31 L318 F319 R320 I346 F347 S349W27-D316 WeakPolarHBondContact CZ2-OD2 3.47Å; W27-D316 PolarHBondContact NE1-OD2 2.69Å; N31-D316 PolarHBondContact ND2-OD2 3.32Å; D316-L318 VanDerWaalsContact C-N 3.27Å; D316-L318 PolarHBondContact O-N 3.39Å; D316-F319 PolarHBondContact O-N 3.32Å; D316-R320 IonicContact OD1-NH2 3.5Å; D316-I346 HydrophobicContact CB-CG2 4.26Å; D316-F347 PolarHBondContact N-O 3.3Å; D316-S349 WeakPolarHBondContact OD1-CB 3.29Å; D316-S349 PolarHBondContact OD1-N 3.1Å; D316-S349 PolarHBondContact OD1-OG 2.76Å
317A89.8Confident90.3Very high33 Ų3344.1 Ų44.127%0.27322%0.219SC..Hα-helixtrans-61.5-33.8178.800000112.7T315 F319 R320T315-A317 PolarHBondContact O-N 2.85Å; A317-F319 PolarHBondContact O-N 3.33Å; A317-R320 PolarHBondContact O-N 2.85Å; A317-R320 VanDerWaalsContact O-N 3.1Å
318L90.5Very high90.1Very high22 Ų2247.4 Ų47.412%0.11523%0.227CC..Hα-helixtrans-67.7-36.2-178.7-67.5175.1000112.1I314 T315 D316 R320 S321 Y330 G362 V363I314-L318 HydrophobicContact CD1-CD1 4.24Å; I314-L318 HydrophobicContact CG1-CD1 3.82Å; T315-L318 PolarHBondContact O-N 2.84Å; D316-L318 VanDerWaalsContact C-N 3.27Å; D316-L318 PolarHBondContact O-N 3.39Å; L318-R320 PolarHBondContact O-N 2.89Å; L318-S321 PolarHBondContact O-N 2.7Å; L318-Y330 HydrophobicContact CB-CD2 4.05Å; L318-Y330 HydrophobicContact CB-CE2 4.05Å; L318-Y330 HydrophobicContact CB-CG 4.37Å; L318-Y330 HydrophobicContact CD1-CD1 4.29Å; L318-Y330 HydrophobicContact CD1-CE1 3.78Å; L318-Y330 HydrophobicContact CD1-CE2 4.36Å; L318-Y330 HydrophobicContact CD2-CE2 4.05Å; L318-Y330 HydrophobicContact CG-CE2 4.38Å; L318-G362 VanDerWaalsContact CD1-C 3.46Å; L318-G362 VanDerWaalsContact CD1-O 3.31Å; L318-G362 WeakPolarHBondContact CD1-O 3.2Å; L318-V363 HydrophobicContact CD1-CB 4.01Å
319F88Confident90Very high20 Ų2051.3 Ų51.39%0.08825%0.245CC..Hα-helixtrans-70.5-14.3174.4-54.2-71.9000113.1V120 I314 D316 A317 R327 V331 V334 I346V120-F319 HydrophobicContact CG1-CD1 4.34Å; V120-F319 HydrophobicContact CG1-CD2 4.35Å; V120-F319 HydrophobicContact CG1-CE1 4.24Å; V120-F319 HydrophobicContact CG1-CE2 4.27Å; V120-F319 HydrophobicContact CG1-CG 4.38Å; V120-F319 HydrophobicContact CG1-CZ 4.2Å; V120-F319 HydrophobicContact CG2-CE1 3.99Å; V120-F319 HydrophobicContact CG2-CZ 4.28Å; I314-F319 HydrophobicContact CD1-CE1 4.18Å; I314-F319 HydrophobicContact CD1-CE2 4.14Å; I314-F319 HydrophobicContact CD1-CZ 3.59Å; I314-F319 HydrophobicContact CG1-CE2 4.13Å; I314-F319 HydrophobicContact CG1-CZ 4.07Å; I314-F319 HydrophobicContact CG2-CE2 4Å; I314-F319 HydrophobicContact CG2-CZ 3.94Å; D316-F319 PolarHBondContact O-N 3.32Å; A317-F319 PolarHBondContact O-N 3.33Å; F319-R327 WeakPolarHBondContact O-CD 2.99Å; F319-R327 WeakPolarHBondContact O-CG 3.15Å; F319-R327 PolarHBondContact O-NE 2.97Å; F319-R327 VanDerWaalsContact O-NE 3.08Å; F319-V331 HydrophobicContact CD1-CG2 4.16Å; F319-V331 HydrophobicContact CE1-CG2 4.35Å; F319-V334 HydrophobicContact CE1-CG2 4.23Å; F319-V334 HydrophobicContact CZ-CG2 3.92Å; F319-I346 HydrophobicContact CE2-CD1 3.93Å; F319-I346 HydrophobicContact CE2-CG1 4.43Å; F319-I346 HydrophobicContact CE2-CG2 4.14Å; F319-I346 HydrophobicContact CZ-CD1 4.2Å
320R84Confident89.9Confident56 Ų5651.8 Ų51.821%0.21125%0.247CC..THydrogen-bonded Turntrans-93.8-1.3175.5-78-164.6-84118.2-1.3114.2W27 Y30 N31 D316 A317 L318 R322 R327 S349W27-R320 VanDerWaalsContact CZ2-NH2 3.33Å; Y30-R320 PolarHBondContact OH-NH1 3.42Å; N31-R320 PolarHBondContact OD1-NE 3.1Å; N31-R320 PolarHBondContact OD1-NH2 3.45Å; D316-R320 IonicContact OD1-NH2 3.5Å; A317-R320 PolarHBondContact O-N 2.85Å; A317-R320 VanDerWaalsContact O-N 3.1Å; L318-R320 PolarHBondContact O-N 2.89Å; R320-R322 PolarHBondContact O-N 3.44Å; R320-R327 PolarHBondContact O-NH2 3.35Å; R320-S349 PolarHBondContact NH2-OG 2.94Å
321S79.1Confident89.8Confident27 Ų2749.6 Ų49.619%0.18924%0.236CC..  trans-48.7137.9178.8173.30000111.8L318 N323 E326 R327L318-S321 PolarHBondContact O-N 2.7Å; S321-N323 PolarHBondContact O-N 2.91Å; S321-N323 VanDerWaalsContact O-N 3.12Å; S321-N323 PolarHBondContact OG-N 3.19Å; S321-E326 VanDerWaalsContact CB-OE2 3.29Å; S321-E326 WeakPolarHBondContact CB-OE2 3.37Å; S321-E326 PolarHBondContact OG-OE2 3.45Å; S321-R327 PolarHBondContact O-NE 3.31Å; S321-R327 PolarHBondContact O-NH2 2.97Å
322R77Confident89.6Confident246 Ų24654.6 Ų54.693%0.92826%0.258SS*.SBendtrans-64.1-18.6179-67.7-177.6-179.2173.91.7113.1R320R320-R322 PolarHBondContact O-N 3.44Å
323N84.8Confident89.5Confident81 Ų8154.6 Ų54.643%0.43326%0.258SS..  trans-83.6114.1179.9-174.7-4.6000110.6S321 N325 E326 R327S321-N323 PolarHBondContact O-N 2.91Å; S321-N323 VanDerWaalsContact O-N 3.12Å; S321-N323 PolarHBondContact OG-N 3.19Å; N323-N325 VanDerWaalsContact C-N 3.28Å; N323-N325 PolarHBondContact O-N 2.78Å; N323-N325 PolarHBondContact OD1-N 2.86Å; N323-E326 HydrophobicContact CB-CB 3.91Å; N323-E326 PolarHBondContact O-N 3.18Å; N323-R327 PolarHBondContact O-N 2.81Å; N323-R327 VanDerWaalsContact O-N 3.17Å
324L83.2Confident89.5Confident102 Ų10254.6 Ų54.653%0.53426%0.258SS..Hα-helixtrans-60.1-36.6178.4-73.3172.3000112.8R327 K328L324-R327 PolarHBondContact O-N 2.95Å; L324-K328 WeakPolarHBondContact O-CG 3.4Å; L324-K328 PolarHBondContact O-N 2.75Å; L324-K328 VanDerWaalsContact O-N 3.11Å
325N88.6Confident89.4Confident112 Ų11257 Ų5760%0.59927%0.271SS*.Hα-helixtrans-68.2-40.3-178.7-66.2-20.8000111N323 K328 Q329N323-N325 VanDerWaalsContact C-N 3.28Å; N323-N325 PolarHBondContact O-N 2.78Å; N323-N325 PolarHBondContact OD1-N 2.86Å; N325-K328 PolarHBondContact O-N 2.85Å; N325-Q329 WeakPolarHBondContact O-CG 3.43Å; N325-Q329 PolarHBondContact O-N 3.38Å
326E89Confident89.5Confident57 Ų5758.9 Ų58.927%0.26628%0.279SS..Hα-helixtrans-63.6-42.7176.4-175.5-179-17500111.4S321 N323 K328 Q329 Y330S321-E326 VanDerWaalsContact CB-OE2 3.29Å; S321-E326 WeakPolarHBondContact CB-OE2 3.37Å; S321-E326 PolarHBondContact OG-OE2 3.45Å; N323-E326 HydrophobicContact CB-CB 3.91Å; N323-E326 PolarHBondContact O-N 3.18Å; E326-K328 VanDerWaalsContact C-N 3.34Å; E326-K328 PolarHBondContact O-N 2.7Å; E326-Q329 WeakPolarHBondContact O-CB 3.34Å; E326-Q329 PolarHBondContact O-N 2.9Å; E326-Y330 HydrophobicContact CG-CD2 4Å; E326-Y330 HydrophobicContact CG-CE2 3.61Å; E326-Y330 WeakPolarHBondContact O-CD2 3.49Å; E326-Y330 PolarHBondContact O-N 2.84Å
327R87.7Confident89.7Confident25 Ų2558.7 Ų58.79%0.09428%0.279CS..Hα-helixtrans-58-48174.9-68.1-175.8-176.5159.56.9111.7Q34 F319 R320 S321 N323 L324 Q329 Y330 V331Q34-R327 VanDerWaalsContact CD-NH1 3.32Å; F319-R327 WeakPolarHBondContact O-CD 2.99Å; F319-R327 WeakPolarHBondContact O-CG 3.15Å; F319-R327 PolarHBondContact O-NE 2.97Å; F319-R327 VanDerWaalsContact O-NE 3.08Å; R320-R327 PolarHBondContact O-NH2 3.35Å; S321-R327 PolarHBondContact O-NE 3.31Å; S321-R327 PolarHBondContact O-NH2 2.97Å; N323-R327 PolarHBondContact O-N 2.81Å; N323-R327 VanDerWaalsContact O-N 3.17Å; L324-R327 PolarHBondContact O-N 2.95Å; R327-Q329 VanDerWaalsContact C-N 3.29Å; R327-Q329 PolarHBondContact O-N 3.15Å; R327-Y330 PolarHBondContact O-N 2.78Å; R327-V331 WeakPolarHBondContact O-CG2 3.36Å; R327-V331 PolarHBondContact O-N 3.41Å
328K88.9Confident89.9Confident127 Ų12760.4 Ų60.455%0.55228%0.28SS*.Hα-helixtrans-60.6-40.2-179.9-73.8-173.1174.3-158.90111.9L324 N325 E326 Y330 V331 E332L324-K328 WeakPolarHBondContact O-CG 3.4Å; L324-K328 PolarHBondContact O-N 2.75Å; L324-K328 VanDerWaalsContact O-N 3.11Å; N325-K328 PolarHBondContact O-N 2.85Å; E326-K328 VanDerWaalsContact C-N 3.34Å; E326-K328 PolarHBondContact O-N 2.7Å; K328-Y330 VanDerWaalsContact C-N 3.35Å; K328-Y330 PolarHBondContact O-N 2.64Å; K328-V331 PolarHBondContact O-N 3.15Å; K328-E332 WeakPolarHBondContact O-CB 3.13Å; K328-E332 PolarHBondContact O-N 2.88Å
329Q93.5Very high90.1Very high82 Ų8265.8 Ų65.838%0.38331%0.309SS..Hα-helixtrans-59.1-42.2175.3-79.1174-18.800113Y297 N325 E326 R327 L333Y297-Q329 HydrophobicContact CE2-CB 4.15Å; Y297-Q329 WeakPolarHBondContact OH-CB 3.24Å; N325-Q329 WeakPolarHBondContact O-CG 3.43Å; N325-Q329 PolarHBondContact O-N 3.38Å; E326-Q329 WeakPolarHBondContact O-CB 3.34Å; E326-Q329 PolarHBondContact O-N 2.9Å; R327-Q329 VanDerWaalsContact C-N 3.29Å; R327-Q329 PolarHBondContact O-N 3.15Å; Q329-L333 WeakPolarHBondContact O-CB 3.45Å; Q329-L333 PolarHBondContact O-N 3.28Å
330Y94.9Very high90.4Very high15 Ų1567.3 Ų67.36%0.05932%0.318CS..Hα-helixtrans-74-34.7177.4-73.9-66.9000113.1Y297 I314 L318 E326 R327 K328 L333 V334 V363Y297-Y330 HydrophobicContact CD2-CD1 4.09Å; Y297-Y330 AromaticContact CD2-CE1 3.51Å; Y297-Y330 HydrophobicContact CD2-CE1 3.51Å; Y297-Y330 AromaticContact CD2-CZ 3.85Å; Y297-Y330 HydrophobicContact CE2-CD1 4.34Å; Y297-Y330 HydrophobicContact CE2-CE1 4.19Å; Y297-Y330 HydrophobicContact CG-CE1 4.42Å; I314-Y330 HydrophobicContact CD1-CD1 3.53Å; I314-Y330 HydrophobicContact CD1-CE1 4.31Å; I314-Y330 HydrophobicContact CD1-CG 4.07Å; L318-Y330 HydrophobicContact CB-CD2 4.05Å; L318-Y330 HydrophobicContact CB-CE2 4.05Å; L318-Y330 HydrophobicContact CB-CG 4.37Å; L318-Y330 HydrophobicContact CD1-CD1 4.29Å; L318-Y330 HydrophobicContact CD1-CE1 3.78Å; L318-Y330 HydrophobicContact CD1-CE2 4.36Å; L318-Y330 HydrophobicContact CD2-CE2 4.05Å; L318-Y330 HydrophobicContact CG-CE2 4.38Å; E326-Y330 HydrophobicContact CG-CD2 4Å; E326-Y330 HydrophobicContact CG-CE2 3.61Å; E326-Y330 WeakPolarHBondContact O-CD2 3.49Å; E326-Y330 PolarHBondContact O-N 2.84Å; R327-Y330 PolarHBondContact O-N 2.78Å; K328-Y330 VanDerWaalsContact C-N 3.35Å; K328-Y330 PolarHBondContact O-N 2.64Å; Y330-L333 HydrophobicContact CD1-CD2 4.34Å; Y330-L333 PolarHBondContact O-N 3.17Å; Y330-V334 WeakPolarHBondContact O-CG2 3.45Å; Y330-V334 PolarHBondContact O-N 3.24Å; Y330-V363 HydrophobicContact CE1-CB 4.21Å; Y330-V363 HydrophobicContact CE1-CG1 4.21Å; Y330-V363 HydrophobicContact CE1-CG2 4.37Å
331V93Very high90.9Very high18 Ų1872.5 Ų72.511%0.10935%0.345CS..Hα-helixtrans-63.4-481731720000110.2D118 V120 F319 R327 K328 L333 V334 D335D118-V331 HydrophobicContact CB-CG1 3.88Å; D118-V331 HydrophobicContact CB-CG2 4.33Å; V120-V331 HydrophobicContact CG2-CG2 4.36Å; F319-V331 HydrophobicContact CD1-CG2 4.16Å; F319-V331 HydrophobicContact CE1-CG2 4.35Å; R327-V331 WeakPolarHBondContact O-CG2 3.36Å; R327-V331 PolarHBondContact O-N 3.41Å; K328-V331 PolarHBondContact O-N 3.15Å; V331-L333 VanDerWaalsContact C-N 3.31Å; V331-L333 PolarHBondContact O-N 3.01Å; V331-V334 WeakPolarHBondContact O-CB 3.25Å; V331-V334 PolarHBondContact O-N 3.13Å; V331-V334 VanDerWaalsContact O-N 3.1Å; V331-D335 PolarHBondContact O-N 3.02Å
332E93.8Very high91.6Very high117 Ų11771.7 Ų71.755%0.54734%0.34SS..Hα-helixtrans-59.6-41.5176.5-175.6-179.4-178.600111.7K328 V334 D335 Q336K328-E332 WeakPolarHBondContact O-CB 3.13Å; K328-E332 PolarHBondContact O-N 2.88Å; E332-V334 VanDerWaalsContact C-N 3.34Å; E332-V334 PolarHBondContact O-N 3.06Å; E332-D335 PolarHBondContact O-N 2.81Å; E332-Q336 VanDerWaalsContact O-CB 3.3Å; E332-Q336 WeakPolarHBondContact O-CB 3.5Å; E332-Q336 PolarHBondContact O-N 2.92Å
333L95.5Very high92.4Very high1 Ų164 Ų641%0.00532%0.316CS..Hα-helixtrans-60.1-43.7174.4177.565.4000111.9V300 K301 A304 L312 Q329 Y330 V331 V337 V363V300-L333 HydrophobicContact CG1-CD1 4.3Å; V300-L333 HydrophobicContact CG1-CD2 3.93Å; K301-L333 HydrophobicContact CD-CD1 4.42Å; A304-L333 HydrophobicContact CB-CD1 3.46Å; A304-L333 VanDerWaalsContact CB-CD1 3.46Å; L312-L333 HydrophobicContact CD1-CD2 4.38Å; L312-L333 HydrophobicContact CD2-CG 4.29Å; Q329-L333 WeakPolarHBondContact O-CB 3.45Å; Q329-L333 PolarHBondContact O-N 3.28Å; Y330-L333 HydrophobicContact CD1-CD2 4.34Å; Y330-L333 PolarHBondContact O-N 3.17Å; V331-L333 VanDerWaalsContact C-N 3.31Å; V331-L333 PolarHBondContact O-N 3.01Å; L333-V337 HydrophobicContact CD1-CG2 4.48Å; L333-V337 WeakPolarHBondContact O-CG2 3.4Å; L333-V337 PolarHBondContact O-N 2.86Å; L333-V363 HydrophobicContact CD2-CG2 4.25Å
334V95.3Very high92.8Very high0 Ų061.2 Ų61.20%030%0.302CS..Hα-helixtrans-63.2-44.3177.31650000111.2V120 L312 I314 F319 Y330 V331 E332 V337 K338 V344V120-V334 HydrophobicContact CG2-CB 4.24Å; V120-V334 HydrophobicContact CG2-CG1 3.91Å; V120-V334 HydrophobicContact CG2-CG2 4.43Å; L312-V334 HydrophobicContact CD2-CG2 3.98Å; I314-V334 HydrophobicContact CD1-CG2 4.48Å; I314-V334 HydrophobicContact CG2-CG2 4.44Å; F319-V334 HydrophobicContact CE1-CG2 4.23Å; F319-V334 HydrophobicContact CZ-CG2 3.92Å; Y330-V334 WeakPolarHBondContact O-CG2 3.45Å; Y330-V334 PolarHBondContact O-N 3.24Å; V331-V334 WeakPolarHBondContact O-CB 3.25Å; V331-V334 PolarHBondContact O-N 3.13Å; V331-V334 VanDerWaalsContact O-N 3.1Å; E332-V334 VanDerWaalsContact C-N 3.34Å; E332-V334 PolarHBondContact O-N 3.06Å; V334-V337 PolarHBondContact O-N 2.83Å; V334-K338 HydrophobicContact CG1-CD 4.17Å; V334-K338 WeakPolarHBondContact O-CG 3.42Å; V334-K338 PolarHBondContact O-N 2.86Å; V334-V344 HydrophobicContact CG1-CG1 4.02Å; V334-V344 HydrophobicContact CG1-CG2 4.26Å; V334-V344 HydrophobicContact CG2-CG1 4.07Å
335D94.6Very high93.3Very high51 Ų5159.9 Ų59.927%0.27329%0.29SS..Hα-helixtrans-64.7-46.5179-70.1-25.2000111.1S119 V331 E332 V337 K338 D339S119-D335 VanDerWaalsContact CB-OD1 3.23Å; S119-D335 WeakPolarHBondContact CB-OD1 3.37Å; S119-D335 PolarHBondContact OG-OD1 2.91Å; S119-D335 PolarHBondContact OG-OD2 2.95Å; V331-D335 PolarHBondContact O-N 3.02Å; E332-D335 PolarHBondContact O-N 2.81Å; D335-V337 VanDerWaalsContact C-N 3.31Å; D335-V337 PolarHBondContact O-N 3.05Å; D335-K338 PolarHBondContact O-N 3.18Å; D335-K338 VanDerWaalsContact O-N 3.12Å; D335-D339 WeakPolarHBondContact O-CB 3.33Å; D335-D339 PolarHBondContact O-N 2.81Å
336Q96Very high93.5Very high38 Ų3855 Ų5518%0.17826%0.264CS..Hα-helixtrans-56.6-42.9175.5-177.6179.5500112.2A304 D305 E332 N340A304-Q336 HydrophobicContact CB-CG 4.49Å; A304-Q336 PolarHBondContact O-NE2 2.91Å; D305-Q336 PolarHBondContact OD1-NE2 3.43Å; E332-Q336 VanDerWaalsContact O-CB 3.3Å; E332-Q336 WeakPolarHBondContact O-CB 3.5Å; E332-Q336 PolarHBondContact O-N 2.92Å; Q336-N340 WeakPolarHBondContact O-CB 3.49Å; Q336-N340 PolarHBondContact O-N 2.85Å; Q336-N340 VanDerWaalsContact O-N 3.13Å; Q336-N340 PolarHBondContact O-ND2 2.96Å; Q336-N340 VanDerWaalsContact O-ND2 3.13Å
337V96.2Very high93.7Very high2 Ų252.3 Ų52.31%0.01225%0.252CS..Hα-helixtrans-67.4-41.8177.6172.40000111.3A304 I309 L312 L333 V334 D335 N340 Q341 G342 V344A304-V337 HydrophobicContact CB-CG2 4.45Å; I309-V337 HydrophobicContact CB-CG1 4.42Å; I309-V337 HydrophobicContact CB-CG2 4.18Å; I309-V337 HydrophobicContact CD1-CG2 3.68Å; I309-V337 HydrophobicContact CG1-CG2 4.5Å; I309-V337 HydrophobicContact CG2-CG1 3.84Å; I309-V337 HydrophobicContact CG2-CG2 4.08Å; L312-V337 HydrophobicContact CB-CG1 4Å; L312-V337 HydrophobicContact CB-CG2 4.4Å; L312-V337 HydrophobicContact CD2-CB 4.35Å; L312-V337 HydrophobicContact CD2-CG2 4.09Å; L333-V337 HydrophobicContact CD1-CG2 4.48Å; L333-V337 WeakPolarHBondContact O-CG2 3.4Å; L333-V337 PolarHBondContact O-N 2.86Å; V334-V337 PolarHBondContact O-N 2.83Å; D335-V337 VanDerWaalsContact C-N 3.31Å; D335-V337 PolarHBondContact O-N 3.05Å; V337-N340 CarbonylContact O-C 3.6Å; V337-N340 PolarHBondContact O-N 2.89Å; V337-Q341 PolarHBondContact O-N 3.43Å; V337-G342 WeakPolarHBondContact O-CA 3.49Å; V337-G342 PolarHBondContact O-N 2.82Å; V337-V344 HydrophobicContact CB-CG2 4.03Å; V337-V344 HydrophobicContact CG1-CG2 3.72Å
338K94.3Very high93.8Very high70 Ų7051.4 Ų51.430%0.30425%0.249SC..Hα-helixtrans-62.9-44.2176.8-76.4177.2176.7177.70111.9M123 V334 D335 N340 Q341 V344M123-K338 PolarHBondContact SD-NZ 2.88Å; V334-K338 HydrophobicContact CG1-CD 4.17Å; V334-K338 WeakPolarHBondContact O-CG 3.42Å; V334-K338 PolarHBondContact O-N 2.86Å; D335-K338 PolarHBondContact O-N 3.18Å; D335-K338 VanDerWaalsContact O-N 3.12Å; K338-N340 PolarHBondContact O-N 2.7Å; K338-Q341 PolarHBondContact O-N 2.8Å; K338-V344 HydrophobicContact CG-CG2 3.84Å
339D94.7Very high93.8Very high135 Ų13546.3 Ų46.372%0.72223%0.229SC*.Hα-helixtrans-61.6-34.2178.2-72.3-13.1000111.5D335 Q341D335-D339 WeakPolarHBondContact O-CB 3.33Å; D335-D339 PolarHBondContact O-N 2.81Å; D339-Q341 PolarHBondContact O-N 2.91Å
340N94.5Very high93.5Very high51 Ų5144.3 Ų44.327%0.27322%0.221SC..THydrogen-bonded Turntrans-82.615.2174.7-70.6-32.3000114.4C307 Q336 V337 K338 G342 R368C307-N340 PolarHBondContact SG-ND2 3.12Å; C307-N340 VanDerWaalsContact SG-ND2 3.36Å; Q336-N340 WeakPolarHBondContact O-CB 3.49Å; Q336-N340 PolarHBondContact O-N 2.85Å; Q336-N340 VanDerWaalsContact O-N 3.13Å; Q336-N340 PolarHBondContact O-ND2 2.96Å; Q336-N340 VanDerWaalsContact O-ND2 3.13Å; V337-N340 CarbonylContact O-C 3.6Å; V337-N340 PolarHBondContact O-N 2.89Å; K338-N340 PolarHBondContact O-N 2.7Å; N340-G342 PolarHBondContact O-N 2.83Å; N340-R368 PolarHBondContact O-NH1 3.14Å; N340-R368 PolarHBondContact O-NH2 3.09Å
341Q93.5Very high93.2Very high166 Ų16643.6 Ų43.678%0.77622%0.218SC*.THydrogen-bonded Turntrans61.623-179.6-53.1179.2-20.200114V337 K338 D339 R368V337-Q341 PolarHBondContact O-N 3.43Å; K338-Q341 PolarHBondContact O-N 2.8Å; D339-Q341 PolarHBondContact O-N 2.91Å; Q341-R368 PolarHBondContact O-NH2 2.97Å
342G93.7Very high93Very high9 Ų942.9 Ų42.99%0.09321%0.214CC..PPolyproline II helixtrans-79.4151.7171.700000111.6D310 V337 N340D310-G342 CarbonylContact O-C 3.48Å; D310-G342 WeakPolarHBondContact O-CA 3.13Å; V337-G342 WeakPolarHBondContact O-CA 3.49Å; V337-G342 PolarHBondContact O-N 2.82Å; N340-G342 PolarHBondContact O-N 2.83Å
343I94.2Very high92.9Very high84 Ų8437.4 Ų37.443%0.43119%0.189SC..EExtended strand (participates in β ladder)trans-89.7118.8177.8-58.3174.4000108.5D310 T311 L312 R345D310-I343 PolarHBondContact O-N 3.4Å; T311-I343 CarbonylContact C-O 3.55Å; T311-I343 VanDerWaalsContact CA-O 3.25Å; T311-I343 WeakPolarHBondContact CA-O 2.99Å; L312-I343 PolarHBondContact N-O 3.44Å; I343-R345 HydrophobicContact CG2-CG 4.21Å
344V94.6Very high92.7Very high23 Ų2337.4 Ų37.414%0.13919%0.188CC..EExtended strand (participates in β ladder)trans-98.1125.6175.4-178.70000110.1L312 I314 V334 V337 K338 I346L312-V344 HydrophobicContact CB-CG2 4.21Å; L312-V344 HydrophobicContact CD2-CG1 4.13Å; L312-V344 HydrophobicContact CD2-CG2 4.15Å; I314-V344 HydrophobicContact CG2-CG1 4.39Å; V334-V344 HydrophobicContact CG1-CG1 4.02Å; V334-V344 HydrophobicContact CG1-CG2 4.26Å; V334-V344 HydrophobicContact CG2-CG1 4.07Å; V337-V344 HydrophobicContact CB-CG2 4.03Å; V337-V344 HydrophobicContact CG1-CG2 3.72Å; K338-V344 HydrophobicContact CG-CG2 3.84Å; V344-I346 HydrophobicContact CG1-CG1 4.31Å
345R93Very high92.6Very high74 Ų7440.4 Ų40.428%0.27920%0.203SC..EExtended strand (participates in β ladder)trans-117.8116.2174-60.9-163.1-177.5-1661.1110.2S274 T311 L312 L313 I314 I343 F347S274-R345 VanDerWaalsContact C-NH1 3.28Å; S274-R345 PolarHBondContact O-NH1 3.1Å; T311-R345 HydrophobicContact CG2-CG 4.4Å; L312-R345 PolarHBondContact O-N 3.36Å; L313-R345 HydrophobicContact CD2-CB 4.33Å; I314-R345 PolarHBondContact N-O 3.2Å; I314-R345 VanDerWaalsContact N-O 3.09Å; I343-R345 HydrophobicContact CG2-CG 4.21Å; R345-F347 HydrophobicContact CB-CE2 3.9Å; R345-F347 WeakPolarHBondContact O-CD2 3.48Å
346I92.4Very high92.4Very high11 Ų1139.5 Ų39.56%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-94.4117176.6-54.2-171.9000109.2V120 M123 I314 D316 F319 V344V120-I346 HydrophobicContact CG1-CD1 3.61Å; M123-I346 HydrophobicContact CE-CD1 3.27Å; M123-I346 HydrophobicContact CE-CG1 3.85Å; I314-I346 HydrophobicContact CG2-CB 4.47Å; I314-I346 HydrophobicContact CG2-CG1 3.87Å; I314-I346 CarbonylContact O-C 3.56Å; I314-I346 VanDerWaalsContact O-CA 3.28Å; I314-I346 WeakPolarHBondContact O-CA 3.17Å; D316-I346 HydrophobicContact CB-CG2 4.26Å; F319-I346 HydrophobicContact CE2-CD1 3.93Å; F319-I346 HydrophobicContact CE2-CG1 4.43Å; F319-I346 HydrophobicContact CE2-CG2 4.14Å; F319-I346 HydrophobicContact CZ-CD1 4.2Å; V344-I346 HydrophobicContact CG1-CG1 4.31Å
347F92.6Very high92.4Very high0 Ų037.7 Ų37.70%019%0.188CC..EExtended strand (participates in β ladder)trans-90.7137.5179.2-71.7-108.3000110.2E275 A278 L279 L313 I314 T315 D316 R345 S353 L357E275-F347 HydrophobicContact CB-CD1 3.81Å; E275-F347 HydrophobicContact CB-CE1 3.45Å; E275-F347 VanDerWaalsContact CB-CE1 3.45Å; E275-F347 HydrophobicContact CB-CZ 4.05Å; E275-F347 HydrophobicContact CG-CD1 3.98Å; E275-F347 HydrophobicContact CG-CE1 3.96Å; E275-F347 HydrophobicContact CG-CG 4.42Å; E275-F347 HydrophobicContact CG-CZ 4.33Å; E275-F347 WeakPolarHBondContact O-CE1 3.43Å; E275-F347 WeakPolarHBondContact O-CZ 3.39Å; A278-F347 HydrophobicContact CB-CZ 4.31Å; L279-F347 HydrophobicContact CB-CE1 4.22Å; L279-F347 HydrophobicContact CB-CZ 4.41Å; L313-F347 HydrophobicContact CB-CD2 4.36Å; L313-F347 HydrophobicContact CB-CE2 3.81Å; L313-F347 HydrophobicContact CD2-CE2 3.61Å; L313-F347 HydrophobicContact CD2-CZ 3.95Å; L313-F347 HydrophobicContact CG-CE2 4.2Å; I314-F347 PolarHBondContact O-N 3.1Å; T315-F347 CarbonylContact C-O 3.51Å; T315-F347 WeakPolarHBondContact CA-O 3.42Å; T315-F347 HydrophobicContact CG2-CB 4.26Å; D316-F347 PolarHBondContact N-O 3.3Å; R345-F347 HydrophobicContact CB-CE2 3.9Å; R345-F347 WeakPolarHBondContact O-CD2 3.48Å; F347-S353 WeakPolarHBondContact CD1-OG 3.2Å; F347-L357 HydrophobicContact CB-CD2 4.2Å; F347-L357 HydrophobicContact CD2-CD2 3.7Å; F347-L357 HydrophobicContact CE2-CD2 4.24Å; F347-L357 HydrophobicContact CG-CD2 3.92Å
348S89.8Confident92.2Very high5 Ų540.3 Ų40.34%0.03520%0.202CC..PPolyproline II helixtrans-76.7128.3169.7171.90000110.8W27 T155 L350 H351 G354W27-S348 PolarHBondContact NE1-OG 2.9Å; T155-S348 WeakPolarHBondContact O-CB 3.2Å; T155-S348 PolarHBondContact O-OG 3.49Å; S348-L350 PolarHBondContact O-N 2.91Å; S348-L350 VanDerWaalsContact O-N 3.11Å; S348-L350 PolarHBondContact OG-N 2.87Å; S348-H351 PolarHBondContact O-N 2.88Å; S348-G354 WeakPolarHBondContact O-CA 3.47Å
349S90.1Very high92.2Very high20 Ų2044 Ų4414%0.1422%0.221CC..THydrogen-bonded Turntrans-60.8-17.3175.347.40000114.1D316 R320 N358D316-S349 WeakPolarHBondContact OD1-CB 3.29Å; D316-S349 PolarHBondContact OD1-N 3.1Å; D316-S349 PolarHBondContact OD1-OG 2.76Å; R320-S349 PolarHBondContact NH2-OG 2.94Å; S349-N358 WeakPolarHBondContact CB-ND2 3.32Å
350L87.1Confident92.1Very high41 Ų4139.2 Ų39.222%0.21520%0.195CC..THydrogen-bonded Turntrans-91.9-7.3175.5-66.5-175.8000114.2W27 L76 T156 T157 S348W27-L350 HydrophobicContact CD2-CD1 3.61Å; W27-L350 HydrophobicContact CD2-CG 4.4Å; W27-L350 HydrophobicContact CE3-CD1 3.41Å; W27-L350 VanDerWaalsContact CE3-CD1 3.41Å; W27-L350 HydrophobicContact CE3-CG 4.37Å; W27-L350 HydrophobicContact CG-CD1 4.46Å; W27-L350 HydrophobicContact CH2-CD1 3.39Å; W27-L350 HydrophobicContact CH2-CD2 4.12Å; W27-L350 HydrophobicContact CH2-CG 3.43Å; W27-L350 VanDerWaalsContact CH2-CG 3.43Å; W27-L350 HydrophobicContact CZ2-CB 4.33Å; W27-L350 HydrophobicContact CZ2-CD1 3.61Å; W27-L350 HydrophobicContact CZ2-CG 3.49Å; W27-L350 VanDerWaalsContact CZ2-CG 3.49Å; W27-L350 HydrophobicContact CZ3-CD1 3.3Å; W27-L350 HydrophobicContact CZ3-CG 3.91Å; L76-L350 HydrophobicContact CD1-CD1 3.4Å; L76-L350 HydrophobicContact CD2-CD1 3.99Å; L76-L350 HydrophobicContact CD2-CD2 4.2Å; L76-L350 HydrophobicContact CG-CD1 4.33Å; T156-L350 HydrophobicContact CG2-CB 4.15Å; T156-L350 HydrophobicContact CG2-CD1 4.18Å; T157-L350 PolarHBondContact N-O 2.8Å; S348-L350 PolarHBondContact O-N 2.91Å; S348-L350 VanDerWaalsContact O-N 3.11Å; S348-L350 PolarHBondContact OG-N 2.87Å
351H89Confident92Very high0 Ų039.6 Ų39.60%020%0.202CC..SBendtrans-88.3151.3172.3-167.9-102.4000110.2T157 E275 S348 S353 G354 E355T157-H351 PolarHBondContact OG1-CD2 3.47Å; T157-H351 VanDerWaalsContact OG1-CD2 3.25Å; E275-H351 IonicContact OE2-ND1 3.85Å; S348-H351 PolarHBondContact O-N 2.88Å; H351-S353 PolarHBondContact ND1-N 2.85Å; H351-S353 PolarHBondContact ND1-OG 3.11Å; H351-S353 PolarHBondContact O-N 3.05Å; H351-G354 PolarHBondContact O-N 3.26Å; H351-E355 PolarHBondContact O-N 2.94Å
352V88.6Confident92Very high2 Ų231.7 Ų31.71%0.01217%0.165CC..Hα-helixtrans-63.1-29.4-175-172.20000112.4T157 L254 K255T157-V352 HydrophobicContact CG2-CG2 3.69Å; L254-V352 HydrophobicContact CB-CG2 4.23Å; L254-V352 HydrophobicContact CD1-CG2 4.17Å; K255-V352 HydrophobicContact CB-CG1 4.35Å; K255-V352 HydrophobicContact CD-CG1 3.93Å; K255-V352 VanDerWaalsContact CE-CG1 3.41Å; K255-V352 HydrophobicContact CG-CG1 3.16Å
353S90.7Very high92.1Very high3 Ų331.3 Ų31.32%0.02116%0.16CC..Hα-helixtrans-69.5-43.2171.455.20000111.9E275 F347 H351 Q356 L357E275-S353 PolarHBondContact OE2-OG 2.75Å; F347-S353 WeakPolarHBondContact CD1-OG 3.2Å; H351-S353 PolarHBondContact ND1-N 2.85Å; H351-S353 PolarHBondContact ND1-OG 3.11Å; H351-S353 PolarHBondContact O-N 3.05Å; S353-Q356 WeakPolarHBondContact O-CB 3.35Å; S353-Q356 PolarHBondContact O-N 2.97Å; S353-L357 PolarHBondContact O-N 2.95Å
354G92.4Very high92.2Very high0 Ų027.3 Ų27.30%014%0.14CC..Hα-helixtrans-67.7-34.2177.100000113.4S348 H351 Q356 L357 N358S348-G354 WeakPolarHBondContact O-CA 3.47Å; H351-G354 PolarHBondContact O-N 3.26Å; G354-Q356 PolarHBondContact O-N 3.38Å; G354-L357 PolarHBondContact O-N 3.04Å; G354-N358 WeakPolarHBondContact O-CB 3.45Å; G354-N358 PolarHBondContact O-N 2.83Å; G354-N358 PolarHBondContact O-ND2 2.87Å
355E91.6Very high92.4Very high63 Ų6326.2 Ų26.229%0.29413%0.133SC..Hα-helixtrans-57.1-38.6170.6-74-177.5179.600111.8K251 H351 Q359K251-E355 IonicContact NZ-OE1 3.82Å; K251-E355 PolarHBondContact NZ-OE1 2.99Å; K251-E355 IonicContact NZ-OE2 3.96Å; H351-E355 PolarHBondContact O-N 2.94Å; E355-Q359 WeakPolarHBondContact O-CG 3.38Å
356Q92Very high92.5Very high32 Ų3223.3 Ų23.315%0.1512%0.123CC..Hα-helixtrans-71-46.2175.8-68.9179.756.500112K255 L279 S353 G354 N358 Q359 L360K255-Q356 HydrophobicContact CD-CG 3.91Å; K255-Q356 VanDerWaalsContact CE-CG 3.47Å; K255-Q356 VanDerWaalsContact NZ-CG 3.26Å; L279-Q356 HydrophobicContact CD2-CB 3.8Å; L279-Q356 HydrophobicContact CD2-CG 4.39Å; S353-Q356 WeakPolarHBondContact O-CB 3.35Å; S353-Q356 PolarHBondContact O-N 2.97Å; G354-Q356 PolarHBondContact O-N 3.38Å; Q356-N358 PolarHBondContact O-N 2.87Å; Q356-Q359 VanDerWaalsContact O-CB 3.32Å; Q356-Q359 WeakPolarHBondContact O-CB 3.41Å; Q356-Q359 PolarHBondContact O-N 3.2Å; Q356-L360 PolarHBondContact O-N 2.85Å
357L94.6Very high92.7Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-62.5-35.3-179.5-175.259.3000111.5L313 T315 F347 S353 G354 Q359 L360 G362 A364L313-L357 HydrophobicContact CB-CD1 4.26Å; L313-L357 HydrophobicContact CB-CD2 3.82Å; T315-L357 HydrophobicContact CG2-CB 3.76Å; T315-L357 HydrophobicContact CG2-CD2 3.63Å; T315-L357 HydrophobicContact CG2-CG 3.69Å; F347-L357 HydrophobicContact CB-CD2 4.2Å; F347-L357 HydrophobicContact CD2-CD2 3.7Å; F347-L357 HydrophobicContact CE2-CD2 4.24Å; F347-L357 HydrophobicContact CG-CD2 3.92Å; S353-L357 PolarHBondContact O-N 2.95Å; G354-L357 PolarHBondContact O-N 3.04Å; L357-Q359 VanDerWaalsContact C-N 3.25Å; L357-Q359 PolarHBondContact O-N 3.25Å; L357-L360 CarbonylContact O-C 3.52Å; L357-L360 VanDerWaalsContact O-C 3.3Å; L357-L360 WeakPolarHBondContact O-CA 3.24Å; L357-L360 WeakPolarHBondContact O-CB 3.49Å; L357-L360 PolarHBondContact O-N 3.33Å; L357-G362 VanDerWaalsContact O-CA 3.27Å; L357-G362 WeakPolarHBondContact O-CA 3.17Å; L357-G362 PolarHBondContact O-N 3.19Å; L357-A364 HydrophobicContact CD1-CB 3.7Å
358N93.6Very high92.8Very high57 Ų5727.3 Ų27.331%0.30514%0.137SC..Hα-helixtrans-61.5-29.3172.1-80.5-25.9000113.6T315 S349 G354 Q356 L360 S361T315-N358 VanDerWaalsContact CB-OD1 3.27Å; T315-N358 WeakPolarHBondContact CB-OD1 3.28Å; T315-N358 VanDerWaalsContact CG2-OD1 3.22Å; T315-N358 WeakPolarHBondContact CG2-OD1 3.43Å; T315-N358 PolarHBondContact OG1-OD1 2.9Å; S349-N358 WeakPolarHBondContact CB-ND2 3.32Å; G354-N358 WeakPolarHBondContact O-CB 3.45Å; G354-N358 PolarHBondContact O-N 2.83Å; G354-N358 PolarHBondContact O-ND2 2.87Å; Q356-N358 PolarHBondContact O-N 2.87Å; N358-L360 PolarHBondContact O-N 3.44Å; N358-S361 PolarHBondContact O-N 2.79Å
359Q92.9Very high93Very high149 Ų14931.6 Ų31.670%0.69616%0.156SC*.Hα-helixtrans-70.1-22.8173-65.1172.8-12.500111.7E355 Q356 L357E355-Q359 WeakPolarHBondContact O-CG 3.38Å; Q356-Q359 VanDerWaalsContact O-CB 3.32Å; Q356-Q359 WeakPolarHBondContact O-CB 3.41Å; Q356-Q359 PolarHBondContact O-N 3.2Å; L357-Q359 VanDerWaalsContact C-N 3.25Å; L357-Q359 PolarHBondContact O-N 3.25Å
360L92.8Very high93Very high34 Ų3434.2 Ų34.218%0.17817%0.172CC..THydrogen-bonded Turntrans-98.744.5174.6-57.7177000111.3F282 Y283 Y295 Q356 L357 N358 G362F282-L360 HydrophobicContact CD1-CD1 4.44Å; F282-L360 HydrophobicContact CE1-CD1 3.66Å; F282-L360 HydrophobicContact CZ-CD1 4.43Å; Y283-L360 HydrophobicContact CE1-CD1 4.17Å; Y295-L360 HydrophobicContact CD2-CB 4.43Å; Q356-L360 PolarHBondContact O-N 2.85Å; L357-L360 CarbonylContact O-C 3.52Å; L357-L360 VanDerWaalsContact O-C 3.3Å; L357-L360 WeakPolarHBondContact O-CA 3.24Å; L357-L360 WeakPolarHBondContact O-CB 3.49Å; L357-L360 PolarHBondContact O-N 3.33Å; N358-L360 PolarHBondContact O-N 3.44Å; L360-G362 PolarHBondContact O-N 3.09Å; L360-G362 VanDerWaalsContact O-N 3.07Å
361S92.1Very high93.1Very high59 Ų5933.2 Ų33.241%0.41317%0.167SC..THydrogen-bonded Turntrans64.9-1.6-176.476.80000117G296 N358 V363G296-S361 VanDerWaalsContact CA-OG 3.25Å; G296-S361 WeakPolarHBondContact CA-OG 3.48Å; G296-S361 PolarHBondContact N-OG 3.34Å; N358-S361 PolarHBondContact O-N 2.79Å; S361-V363 VanDerWaalsContact C-N 3.3Å
362G94.1Very high92.7Very high0 Ų038.7 Ų38.70%020%0.202CC..THydrogen-bonded Turntrans85.3-5.5-178.900000114.8I314 T315 L318 L357 L360I314-G362 CarbonylContact C-O 3.3Å; I314-G362 WeakPolarHBondContact CA-O 3.23Å; T315-G362 PolarHBondContact N-O 3.2Å; L318-G362 VanDerWaalsContact CD1-C 3.46Å; L318-G362 VanDerWaalsContact CD1-O 3.31Å; L318-G362 WeakPolarHBondContact CD1-O 3.2Å; L357-G362 VanDerWaalsContact O-CA 3.27Å; L357-G362 WeakPolarHBondContact O-CA 3.17Å; L357-G362 PolarHBondContact O-N 3.19Å; L360-G362 PolarHBondContact O-N 3.09Å; L360-G362 VanDerWaalsContact O-N 3.07Å
363V96.2Very high92.2Very high0 Ų044.9 Ų44.90%023%0.231CC..EExtended strand (participates in β ladder)trans-135.3129.5179.966.70000111.2Y295 G296 V300 L312 L313 I314 L318 Y330 L333 S361Y295-V363 WeakPolarHBondContact CA-O 3.37Å; G296-V363 PolarHBondContact N-O 3.07Å; V300-V363 HydrophobicContact CB-CG2 4.3Å; V300-V363 HydrophobicContact CG1-CG2 4.05Å; V300-V363 HydrophobicContact CG2-CG2 4.23Å; L312-V363 HydrophobicContact CD1-CG2 4.18Å; L313-V363 WeakPolarHBondContact O-CA 3.44Å; I314-V363 HydrophobicContact CD1-CG2 4.47Å; L318-V363 HydrophobicContact CD1-CB 4.01Å; Y330-V363 HydrophobicContact CE1-CB 4.21Å; Y330-V363 HydrophobicContact CE1-CG1 4.21Å; Y330-V363 HydrophobicContact CE1-CG2 4.37Å; L333-V363 HydrophobicContact CD2-CG2 4.25Å; S361-V363 VanDerWaalsContact C-N 3.3Å
364A97.2Very high91.3Very high0 Ų046.3 Ų46.30%024%0.24CC..EExtended strand (participates in β ladder)trans-147.9158.5177.500000111.2F282 F294 L313 L357F282-A364 HydrophobicContact CD2-CB 4.12Å; F282-A364 HydrophobicContact CE1-CB 4.36Å; F282-A364 HydrophobicContact CE2-CB 3.72Å; F282-A364 HydrophobicContact CZ-CB 3.85Å; F294-A364 CarbonylContact O-C 3.51Å; F294-A364 VanDerWaalsContact O-CA 3.25Å; F294-A364 WeakPolarHBondContact O-CA 3.39Å; L313-A364 WeakPolarHBondContact CA-O 3.35Å; L313-A364 HydrophobicContact CB-CB 4.34Å; L313-A364 HydrophobicContact CD1-CB 4.47Å; L313-A364 PolarHBondContact N-O 2.85Å; L313-A364 PolarHBondContact O-N 2.9Å; L357-A364 HydrophobicContact CD1-CB 3.7Å
365A97Very high90.1Very high0 Ų051.9 Ų51.90%027%0.274CS..EExtended strand (participates in β ladder)trans-142.6141.7179.800000111.8A293 F294 V300 I309 T311 L312 L367A293-A365 WeakPolarHBondContact CA-O 3.29Å; F294-A365 PolarHBondContact N-O 3.45Å; F294-A365 PolarHBondContact O-N 3.13Å; V300-A365 HydrophobicContact CG1-CB 4.04Å; V300-A365 HydrophobicContact CG2-CB 4.08Å; I309-A365 HydrophobicContact CD1-CB 4.08Å; I309-A365 HydrophobicContact CG1-CB 4.07Å; I309-A365 HydrophobicContact CG2-CB 4.15Å; T311-A365 WeakPolarHBondContact O-CA 3.31Å; L312-A365 HydrophobicContact CD1-CB 4.44Å; A365-L367 HydrophobicContact CB-CD2 4.17Å
366I96.7Very high88.6Confident14 Ų1450.7 Ų50.77%0.07227%0.271CS..EExtended strand (participates in β ladder)trans-100.2131166.8-56.4174.9000107.5D281 F282 M285 D310 T311D281-I366 HydrophobicContact CB-CD1 4.02Å; F282-I366 HydrophobicContact CB-CD1 3.96Å; F282-I366 HydrophobicContact CB-CG1 3.95Å; F282-I366 HydrophobicContact CD2-CG1 4.09Å; M285-I366 HydrophobicContact CE-CG2 4.14Å; M285-I366 HydrophobicContact CG-CG2 4.41Å; D310-I366 WeakPolarHBondContact CB-O 3.22Å; D310-I366 PolarHBondContact N-O 3.39Å; T311-I366 PolarHBondContact N-O 2.87Å; T311-I366 VanDerWaalsContact N-O 3.15Å; T311-I366 PolarHBondContact O-N 3.32Å
367L96.4Very high87Confident0 Ų054 Ų540%029%0.29CS..EExtended strand (participates in β ladder)trans-102.3147.8-174.2-48.1-174.2000112.5R292 F294 A303 A308 I309 A365 F369 I371R292-L367 HydrophobicContact CB-CB 4.47Å; R292-L367 PolarHBondContact NE-O 3.1Å; R292-L367 VanDerWaalsContact NE-O 3.12Å; R292-L367 PolarHBondContact NH2-O 2.88Å; R292-L367 PolarHBondContact O-N 2.99Å; F294-L367 HydrophobicContact CD2-CD1 3.94Å; F294-L367 HydrophobicContact CE2-CD1 3.89Å; F294-L367 HydrophobicContact CG-CD1 4.39Å; F294-L367 HydrophobicContact CZ-CD1 4.31Å; A303-L367 HydrophobicContact CB-CD1 4.11Å; A303-L367 HydrophobicContact CB-CD2 3.58Å; A308-L367 CarbonylContact O-C 3.55Å; A308-L367 VanDerWaalsContact O-CA 3.27Å; A308-L367 WeakPolarHBondContact O-CA 3.34Å; I309-L367 HydrophobicContact CB-CD2 4.48Å; I309-L367 HydrophobicContact CG1-CD2 3.84Å; A365-L367 HydrophobicContact CB-CD2 4.17Å; L367-F369 WeakPolarHBondContact CB-O 3.44Å; L367-I371 HydrophobicContact CD1-CB 4.27Å; L367-I371 HydrophobicContact CD1-CD1 4.41Å; L367-I371 HydrophobicContact CD1-CG1 4.35Å
368R94.2Very high84.9Confident94 Ų9460.6 Ų60.636%0.35533%0.325SS..SBendtrans-66.1-39.5174.3-65.1180178.4158.32.2111.6R292 A308 D310 N340 Q341R292-R368 PolarHBondContact NH2-O 3.36Å; A308-R368 PolarHBondContact O-N 3.11Å; D310-R368 HydrophobicContact CB-CG 3.63Å; D310-R368 IonicContact OD1-NE 3.33Å; N340-R368 PolarHBondContact O-NH1 3.14Å; N340-R368 PolarHBondContact O-NH2 3.09Å; Q341-R368 PolarHBondContact O-NH2 2.97Å
369F93.1Very high82.6Confident95 Ų9564.1 Ų64.142%0.41734%0.34SS..SBendtrans-140.7156.1-178.153.7-94.6000110.2A308 L367 I371A308-F369 HydrophobicContact CB-CD1 4.35Å; A308-F369 HydrophobicContact CB-CD2 4.22Å; A308-F369 HydrophobicContact CB-CE1 3.77Å; A308-F369 HydrophobicContact CB-CE2 3.63Å; A308-F369 HydrophobicContact CB-CZ 3.37Å; L367-F369 WeakPolarHBondContact CB-O 3.44Å; F369-I371 HydrophobicContact CD2-CG1 4.07Å; F369-I371 HydrophobicContact CE2-CD1 3.99Å; F369-I371 HydrophobicContact CE2-CG1 3.9Å
370P91.9Very high80.2Confident75 Ų7559.8 Ų59.849%0.48733%0.326SS..  trans-66.9136.4-178.528.6-37000111.5S291 R292S291-P370 WeakPolarHBondContact O-CA 3.44Å; S291-P370 WeakPolarHBondContact OG-CB 3.46Å; R292-P370 HydrophobicContact CG-CB 4.01Å
371I87.9Confident77.6Confident20 Ų2064.7 Ų64.710%0.10335%0.353CS..  trans-122.5137.1172.4-66.5-174.5000108S291 F294 A306 A308 L367 F369 E373S291-I371 PolarHBondContact O-N 3.03Å; F294-I371 HydrophobicContact CE2-CB 4.26Å; F294-I371 HydrophobicContact CE2-CG2 4.31Å; F294-I371 HydrophobicContact CZ-CB 4.3Å; F294-I371 WeakPolarHBondContact CZ-O 3.47Å; A306-I371 HydrophobicContact CB-CD1 3.39Å; A308-I371 HydrophobicContact CB-CD1 3.24Å; A308-I371 HydrophobicContact CB-CG1 4.1Å; L367-I371 HydrophobicContact CD1-CB 4.27Å; L367-I371 HydrophobicContact CD1-CD1 4.41Å; L367-I371 HydrophobicContact CD1-CG1 4.35Å; F369-I371 HydrophobicContact CD2-CG1 4.07Å; F369-I371 HydrophobicContact CE2-CD1 3.99Å; F369-I371 HydrophobicContact CE2-CG1 3.9Å; I371-E373 PolarHBondContact O-N 2.88Å
372P81.7Confident75.3Confident115 Ų11566.6 Ų66.675%0.74737%0.366SS*.PPolyproline II helixtrans-56.1135.7170.7-2333.5000110.8
373E76.6Confident73.1Confident132 Ų13271.3 Ų71.362%0.61740%0.399SS*.PPolyproline II helixtrans-57127.2177-168.7165.9-168.400109.4H299 I371 V375H299-E373 IonicContact CE1-OE1 2.66Å; H299-E373 PolarHBondContact CE1-OE1 2.83Å; H299-E373 IonicContact ND1-OE1 3.88Å; I371-E373 PolarHBondContact O-N 2.88Å; E373-V375 PolarHBondContact O-N 2.93Å
374P73.2Confident70.8Confident33 Ų3379.4 Ų79.421%0.21444%0.436CS..PPolyproline II helixtrans-63130.9178.425.2-32.5000108.6H299 T376H299-P374 HydrophobicContact CB-CG 4.39Å; P374-T376 PolarHBondContact O-N 2.91Å
375V65.6Low68.4Low117 Ų11786.8 Ų86.871%0.70948%0.476SS*.  trans-54.3115.1179-174.30000108.2E373E373-V375 PolarHBondContact O-N 2.93Å
376T61.4Low66Low39 Ų3994.3 Ų94.324%0.23952%0.516CS..  trans-78.7144.5174.255.60000108.8H299 P374 D378 E379H299-T376 WeakPolarHBondContact NE2-CG2 3.47Å; P374-T376 PolarHBondContact O-N 2.91Å; T376-D378 PolarHBondContact O-N 2.82Å; T376-E379 PolarHBondContact O-N 3.02Å
377D56.9Low63.7Low100 Ų100101.4 Ų101.454%0.53555%0.554SS.*Hα-helixtrans-58.4-10.5178.8-54.8-56.1000113.2K298 S380K298-D377 IonicContact NZ-OD2 3.95Å; K298-D377 PolarHBondContact NZ-OD2 2.96Å; D377-S380 PolarHBondContact O-OG 3.07Å; D377-S380 VanDerWaalsContact O-OG 3.1Å
378D52.5Low61.5Low140 Ų140113.1 Ų113.175%0.74962%0.617SS**Hα-helixtrans-81.3-23178.4-66.2-32.9000112.7T376T376-D378 PolarHBondContact O-N 2.82Å
379E44.7Very low59.8Low130 Ų130114.1 Ų114.161%0.60763%0.63SS**Hα-helixtrans-82.9-29.6176.9-69.5-165159.400112.7T376 N381 S382T376-E379 PolarHBondContact O-N 3.02Å; E379-N381 VanDerWaalsContact C-N 3.31Å; E379-N381 PolarHBondContact O-N 3.42Å; E379-S382 PolarHBondContact O-N 2.89Å; E379-S382 PolarHBondContact O-OG 3.03Å
380S42.2Very low58.1Low58 Ų58115.1 Ų115.141%0.40664%0.642SS.*Hα-helixtrans-68.6-25.3-177.648.10000113.9D377 S382D377-S380 PolarHBondContact O-OG 3.07Å; D377-S380 VanDerWaalsContact O-OG 3.1Å; S380-S382 VanDerWaalsContact C-N 3.34Å; S380-S382 PolarHBondContact O-N 2.69Å
381N38.8Very low56.2Low138 Ų138117.3 Ų117.374%0.73865%0.65SS**THydrogen-bonded Turntrans-83.8-3.7178.2-78.7-30.3000114.6E379E379-N381 VanDerWaalsContact C-N 3.31Å; E379-N381 PolarHBondContact O-N 3.42Å
382S42.8Very low54.3Low99 Ų99123.1 Ų123.169%0.69268%0.682SS**THydrogen-bonded Turntrans-99.2-1.7-174.767.30000114.8E379 S380E379-S382 PolarHBondContact O-N 2.89Å; E379-S382 PolarHBondContact O-OG 3.03Å; S380-S382 VanDerWaalsContact C-N 3.34Å; S380-S382 PolarHBondContact O-N 2.69Å
383S48.1Very low52.6Low98 Ų98123.6 Ų123.669%0.68568%0.678SS**SBendtrans-121.57.5-170.452.50000115.9
384E47.1Very low51Low170 Ų170123 Ų12379%0.79468%0.682SS**SBendtrans-108.85.2-177.6-68.7-167.6164.600115.8
385D48.3Very low49.5Very low155 Ų155129.4 Ų129.483%0.82972%0.716SS**SBendtrans-108.45.2-173.7-83.8-25000116.7
386D45.9Very low48.2Very low158 Ų158130.4 Ų130.485%0.84572%0.716SS**SBendtrans-121.475.5176.6-81.6-31.9000111.2
387D49Very low47.1Very low163 Ų163138 Ų13887%0.87276%0.756SS**  trans-172.985.4152.6-93.6-25.7000110.8
388N49.2Very low46.2Very low247 Ų247141.5 Ų141.5100%1.32178%0.776SS**  trans-163.20150.9-101-32.9000112.3

Retrieved 388 of 388 residues in 133 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).