A0A087XDN2_POEFO Loading...

Gamma-aminobutyric acid receptor subunit gamma-3

Gamma subunit of the heteropentameric ligand-gated chloride channel gated by gamma-aminobutyric acid (GABA), a major inhibitory neurotransmitter in the brain. GABA-gated chloride channels, also named GABA(A) receptors (GABAAR), consist of five subunits arranged around a central pore and contain GABA active binding site(s) located at the alpha and beta subunit interface(s). When activated by GABA, GABAARs selectively allow the flow of chloride across the cell membrane down their electrochemical gradient.

AlphaFold DB , UniProt , Accession A0A087XDN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1I88.8Confident92.8Very high90 Ų9084.2 Ų84.246%0.46246%0.456SS..  0-630-56.9171.8000110.6N3 K4 L5 F60 S62 L67I1-N3 PolarHBondContact O-N 3.42Å; I1-K4 WeakPolarHBondContact O-CB 3.4Å; I1-K4 PolarHBondContact O-N 3.13Å; I1-L5 HydrophobicContact CG2-CD1 3.96Å; I1-L5 HydrophobicContact CG2-CG 4.36Å; I1-L5 PolarHBondContact O-N 3.34Å; I1-L5 VanDerWaalsContact O-N 3.09Å; I1-F60 HydrophobicContact CD1-CD2 4.39Å; I1-F60 HydrophobicContact CG2-CB 3.88Å; I1-F60 HydrophobicContact CG2-CD1 4.47Å; I1-F60 HydrophobicContact CG2-CD2 3.83Å; I1-F60 HydrophobicContact CG2-CG 3.81Å; I1-S62 WeakPolarHBondContact CD1-OG 3.42Å; I1-L67 HydrophobicContact CG2-CD1 4.15Å
2L90.3Very high92.8Very high53 Ų5391.1 Ų91.128%0.27748%0.479SS..Hα-helixtrans-55.5-45.8-176.2-64.7174.4000114.5K4 L5 L6 L67 L69 M73L2-K4 PolarHBondContact O-N 2.99Å; L2-L5 WeakPolarHBondContact O-CB 3.44Å; L2-L5 PolarHBondContact O-N 3.33Å; L2-L5 VanDerWaalsContact O-N 3.08Å; L2-L6 WeakPolarHBondContact O-CG 3.38Å; L2-L6 PolarHBondContact O-N 3.03Å; L2-L67 HydrophobicContact CD2-CD1 4.11Å; L2-L69 HydrophobicContact CD1-CD2 3.89Å; L2-L69 HydrophobicContact CD2-CD1 4.07Å; L2-L69 HydrophobicContact CD2-CD2 4.13Å; L2-M73 HydrophobicContact CD2-CE 4.09Å
3N92.3Very high93Very high141 Ų14189.7 Ų89.775%0.75447%0.472SS*.Hα-helixtrans-59.4-36.6177.8-66.4-6000112.6I1 L6 Q7I1-N3 PolarHBondContact O-N 3.42Å; N3-L6 PolarHBondContact O-N 2.94Å; N3-Q7 WeakPolarHBondContact O-CB 3.19Å; N3-Q7 PolarHBondContact O-N 2.83Å
4K92.3Very high93.2Very high172 Ų17284.1 Ų84.175%0.74844%0.441SS*.Hα-helixtrans-70.3-35.6176.8-173.3176179.7176.50111.8I1 L2I1-K4 WeakPolarHBondContact O-CB 3.4Å; I1-K4 PolarHBondContact O-N 3.13Å; L2-K4 PolarHBondContact O-N 2.99Å
5L92.7Very high93.3Very high19 Ų1978.5 Ų78.510%0.09941%0.412CS..Hα-helixtrans-69.7-33.9175.9-69.7177000112.5I1 L2 L58 K59 F60 L104I1-L5 HydrophobicContact CG2-CD1 3.96Å; I1-L5 HydrophobicContact CG2-CG 4.36Å; I1-L5 PolarHBondContact O-N 3.34Å; I1-L5 VanDerWaalsContact O-N 3.09Å; L2-L5 WeakPolarHBondContact O-CB 3.44Å; L2-L5 PolarHBondContact O-N 3.33Å; L2-L5 VanDerWaalsContact O-N 3.08Å; L5-L58 HydrophobicContact CB-CD2 4.38Å; L5-K59 WeakPolarHBondContact CD2-O 3.46Å; L5-F60 HydrophobicContact CD1-CB 4.4Å; L5-F60 HydrophobicContact CD1-CD1 4.07Å; L5-F60 HydrophobicContact CD1-CG 4.47Å; L5-F60 HydrophobicContact CD2-CB 4.12Å; L5-L104 HydrophobicContact CD1-CD2 3.79Å
6L93.8Very high93.3Very high41 Ų4175.8 Ų75.822%0.21540%0.398CS..Hα-helixtrans-84.5-15.7179.6-66.3177.6000113.2L2 N3 G8 Y9 M73 K76L2-L6 WeakPolarHBondContact O-CG 3.38Å; L2-L6 PolarHBondContact O-N 3.03Å; N3-L6 PolarHBondContact O-N 2.94Å; L6-G8 PolarHBondContact O-N 3.09Å; L6-G8 VanDerWaalsContact O-N 3.17Å; L6-Y9 PolarHBondContact O-N 3Å; L6-M73 HydrophobicContact CD1-CE 3.94Å; L6-M73 HydrophobicContact CD1-SD 4.47Å; L6-M73 HydrophobicContact CD2-CE 4.1Å; L6-M73 HydrophobicContact CG-CE 4.26Å; L6-K76 HydrophobicContact CD1-CD 3.79Å; L6-K76 HydrophobicContact CD2-CB 3.94Å
7Q94.1Very high93.3Very high161 Ų16176.8 Ų76.875%0.75240%0.402SS*.THydrogen-bonded Turntrans-68.7113.7179.6-171.9174.49.100110N3 Y9N3-Q7 WeakPolarHBondContact O-CB 3.19Å; N3-Q7 PolarHBondContact O-N 2.83Å; Q7-Y9 VanDerWaalsContact C-N 3.26Å; Q7-Y9 PolarHBondContact O-N 2.96Å
8G92.4Very high93.2Very high86 Ų8676.7 Ų76.789%0.88742%0.423SS*.THydrogen-bonded Turntrans74.912-177.100000114.5L6L6-G8 PolarHBondContact O-N 3.09Å; L6-G8 VanDerWaalsContact O-N 3.17Å
9Y95.5Very high93.3Very high31 Ų3179 Ų7912%0.12244%0.439CS..  trans-82118.9175.5-173.3-81.7000110.5L6 Q7 N11 D55 R57 L58 I77 W78L6-Y9 PolarHBondContact O-N 3Å; Q7-Y9 VanDerWaalsContact C-N 3.26Å; Q7-Y9 PolarHBondContact O-N 2.96Å; Y9-N11 HydrophobicContact CD1-CB 4.39Å; Y9-N11 HydrophobicContact CE1-CB 3.99Å; Y9-D55 PolarHBondContact OH-OD2 2.92Å; Y9-R57 HydrophobicContact CD2-CB 4.05Å; Y9-R57 HydrophobicContact CE2-CB 4.01Å; Y9-R57 PolarHBondContact OH-NH2 3.08Å; Y9-L58 HydrophobicContact CD2-CD2 3.89Å; Y9-L58 HydrophobicContact CD2-CG 4.48Å; Y9-L58 HydrophobicContact CE2-CD1 4.37Å; Y9-L58 HydrophobicContact CE2-CD2 3.69Å; Y9-L58 HydrophobicContact CE2-CG 3.86Å; Y9-I77 HydrophobicContact CE1-CB 4.34Å; Y9-W78 WeakPolarHBondContact OH-CB 3.25Å; Y9-W78 PolarHBondContact OH-N 3.33Å
10D94.5Very high93.4Very high65 Ų6582.3 Ų82.335%0.34845%0.445SS..  trans-96.7115171.5-168.5-11.8000110.5K12 L13 R57D10-K12 VanDerWaalsContact C-N 3.31Å; D10-K12 VanDerWaalsContact OD1-CB 3.31Å; D10-K12 WeakPolarHBondContact OD1-CB 3.17Å; D10-K12 WeakPolarHBondContact OD1-CG 3.2Å; D10-K12 PolarHBondContact OD1-N 3.27Å; D10-L13 HydrophobicContact CB-CD1 4.14Å; D10-L13 HydrophobicContact CB-CG 4.25Å; D10-R57 PolarHBondContact O-NH1 2.93Å
11N93.9Very high93.5Very high67 Ų6780.9 Ų80.936%0.35844%0.44SS..THydrogen-bonded Turntrans-79.2-11.2179.765.8-7.7000113.9Y9 L13 G75Y9-N11 HydrophobicContact CD1-CB 4.39Å; Y9-N11 HydrophobicContact CE1-CB 3.99Å; N11-L13 VanDerWaalsContact C-N 3.32Å; N11-G75 PolarHBondContact ND2-O 3.05Å
12K93.4Very high93.9Very high167 Ų16777 Ų7773%0.72642%0.42SS*.THydrogen-bonded Turntrans-76.8-24.7174.8-58.2172.6-174.3173.90111.7D10D10-K12 VanDerWaalsContact C-N 3.31Å; D10-K12 VanDerWaalsContact OD1-CB 3.31Å; D10-K12 WeakPolarHBondContact OD1-CB 3.17Å; D10-K12 WeakPolarHBondContact OD1-CG 3.2Å; D10-K12 PolarHBondContact OD1-N 3.27Å
13L95.1Very high94.2Very high73 Ų7377 Ų7738%0.38242%0.422SS..SBendtrans-93.6126-178.2-59.1178.9000110.8D10 N11 I17 R57D10-L13 HydrophobicContact CB-CD1 4.14Å; D10-L13 HydrophobicContact CB-CG 4.25Å; N11-L13 VanDerWaalsContact C-N 3.32Å; L13-I17 HydrophobicContact CD2-CD1 4.08Å; L13-R57 PolarHBondContact O-NH1 3.2Å; L13-R57 PolarHBondContact O-NH2 3.1Å; L13-R57 VanDerWaalsContact O-NH2 3.07Å
14R95.7Very high94.4Very high12 Ų1270.2 Ų70.25%0.04539%0.386CS..PPolyproline II helixtrans-63.4152.9171.372172.4178.188.3-7.3111.1D16 I17 R20 W78 Y145 E149R14-D16 PolarHBondContact NH1-O 3.19Å; R14-I17 HydrophobicContact CG-CB 3.94Å; R14-I17 HydrophobicContact CG-CG1 4.25Å; R14-R20 PolarHBondContact NH1-O 3.49Å; R14-W78 HydrophobicContact CB-CD2 4.35Å; R14-W78 HydrophobicContact CB-CH2 4.46Å; R14-W78 HydrophobicContact CB-CZ2 3.69Å; R14-Y145 HydrophobicContact CB-CE1 4.31Å; R14-Y145 HydrophobicContact CG-CE1 4.44Å; R14-E149 WeakPolarHBondContact CD-OE2 3.43Å; R14-E149 IonicContact CZ-OE2 3.85Å; R14-E149 IonicContact NE-OE2 3.24Å; R14-E149 PolarHBondContact NE-OE2 2.83Å; R14-E149 IonicContact NH2-OE2 3.02Å
15P95.3Very high94.7Very high0 Ų065.5 Ų65.50%037%0.366CS..THydrogen-bonded Turntrans-57.1143.8171.2-19.229.2000111I17 T22 D55 W78P15-I17 PolarHBondContact O-N 2.92Å; P15-I17 VanDerWaalsContact O-N 3.12Å; P15-T22 PolarHBondContact O-OG1 2.81Å; P15-T22 VanDerWaalsContact O-OG1 3.13Å; P15-D55 HydrophobicContact CB-CB 4.33Å; P15-D55 HydrophobicContact CG-CB 4.05Å; P15-W78 HydrophobicContact CG-CD2 4.45Å; P15-W78 HydrophobicContact CG-CE3 3.87Å; P15-W78 HydrophobicContact CG-CZ3 4.13Å
16D93.1Very high94.9Very high35 Ų3564.6 Ų64.619%0.18736%0.362CS..THydrogen-bonded Turntrans52.633.8175.8-57.2-19.7000114.2R14 G18 V19 R20 S56R14-D16 PolarHBondContact NH1-O 3.19Å; D16-G18 PolarHBondContact O-N 2.83Å; D16-V19 HydrophobicContact CB-CB 4.33Å; D16-V19 PolarHBondContact O-N 3.28Å; D16-R20 HydrophobicContact CB-CG 3.91Å; D16-R20 PolarHBondContact O-N 2.84Å; D16-R20 IonicContact OD2-CZ 3.25Å; D16-R20 VanDerWaalsContact OD2-CZ 3.25Å; D16-R20 IonicContact OD2-NE 3.9Å; D16-R20 PolarHBondContact OD2-NE 3.26Å; D16-R20 IonicContact OD2-NH2 2.81Å; D16-R20 PolarHBondContact OD2-NH2 2.83Å; D16-S56 PolarHBondContact OD1-OG 3.02Å
17I93.6Very high95Very high92 Ų9263.3 Ų63.347%0.47236%0.357SS..THydrogen-bonded Turntrans-55.3130.6175.3-168.1171.6000110.8L13 R14 P15 V19L13-I17 HydrophobicContact CD2-CD1 4.08Å; R14-I17 HydrophobicContact CG-CB 3.94Å; R14-I17 HydrophobicContact CG-CG1 4.25Å; P15-I17 PolarHBondContact O-N 2.92Å; P15-I17 VanDerWaalsContact O-N 3.12Å; I17-V19 PolarHBondContact O-N 3.34Å
18G91.4Very high95.1Very high76 Ų7655.9 Ų55.978%0.78432%0.323SS*.THydrogen-bonded Turntrans75.6-0.6-176.700000115.7D16D16-G18 PolarHBondContact O-N 2.83Å
19V94.4Very high95.3Very high120 Ų12055.8 Ų55.873%0.72730%0.296SS*.THydrogen-bonded Turntrans-109.9-56.2-178.8-176.90000111.7D16 I17D16-V19 HydrophobicContact CB-CB 4.33Å; D16-V19 PolarHBondContact O-N 3.28Å; I17-V19 PolarHBondContact O-N 3.34Å
20R94.8Very high95.3Very high145 Ų14554.3 Ų54.355%0.54729%0.29SS..  trans-154.7161.2-177.659.3-178.2178.8174.11.2111.8R14 D16R14-R20 PolarHBondContact NH1-O 3.49Å; D16-R20 HydrophobicContact CB-CG 3.91Å; D16-R20 PolarHBondContact O-N 2.84Å; D16-R20 IonicContact OD2-CZ 3.25Å; D16-R20 VanDerWaalsContact OD2-CZ 3.25Å; D16-R20 IonicContact OD2-NE 3.9Å; D16-R20 PolarHBondContact OD2-NE 3.26Å; D16-R20 IonicContact OD2-NH2 2.81Å; D16-R20 PolarHBondContact OD2-NH2 2.83Å
21P95.6Very high95.2Very high53 Ų5352.7 Ų52.734%0.34428%0.282SS..  trans-65.5138.3171.8-13.425.4000111V23 N148 E149P21-V23 PolarHBondContact O-N 2.83Å; P21-N148 WeakPolarHBondContact CG-O 3.39Å; P21-E149 CarbonylContact C-O 3.55Å; P21-E149 VanDerWaalsContact CA-O 3.3Å; P21-E149 WeakPolarHBondContact CA-O 3.46Å
22T97Very high95.2Very high7 Ų751 Ų514%0.04328%0.275CS..EExtended strand (participates in β ladder)trans-75.6114.5172.9-57.20000108.9P15 I24 W53 W78 E149 I150 T151P15-T22 PolarHBondContact O-OG1 2.81Å; P15-T22 VanDerWaalsContact O-OG1 3.13Å; T22-I24 HydrophobicContact CG2-CG1 4.3Å; T22-W53 HydrophobicContact CG2-CB 4.24Å; T22-W78 HydrophobicContact CG2-CH2 4.23Å; T22-W78 HydrophobicContact CG2-CZ3 4.25Å; T22-E149 PolarHBondContact N-O 2.91Å; T22-I150 WeakPolarHBondContact O-CA 3.4Å; T22-T151 PolarHBondContact O-N 2.85Å
23V97Very high95.3Very high53 Ų5343 Ų4332%0.32124%0.24SC..EExtended strand (participates in β ladder)trans-83.9122.7176.4-178.20000109.3P21 T151 R153P21-V23 PolarHBondContact O-N 2.83Å; V23-T151 WeakPolarHBondContact CA-O 3.49Å; V23-R153 HydrophobicContact CG1-CG 4.02Å
24I97.8Very high95.1Very high0 Ų039.8 Ų39.80%023%0.225CC..EExtended strand (participates in β ladder)trans-112.8113.9179.3-55.2176.5000108.8T22 T26 Q51 T52 W53 W78 P80 I150 T151 Y152 R153T22-I24 HydrophobicContact CG2-CG1 4.3Å; I24-T26 HydrophobicContact CG2-CG2 4.1Å; I24-Q51 HydrophobicContact CG2-CB 4.08Å; I24-T52 CarbonylContact C-O 3.59Å; I24-T52 WeakPolarHBondContact CA-O 3.36Å; I24-W53 HydrophobicContact CG1-CB 4.33Å; I24-W78 HydrophobicContact CD1-CH2 4.47Å; I24-P80 HydrophobicContact CD1-CB 3.39Å; I24-P80 HydrophobicContact CD1-CG 3.86Å; I24-I150 HydrophobicContact CD1-CD1 4.16Å; I24-I150 HydrophobicContact CD1-CG2 3.54Å; I24-I150 HydrophobicContact CG1-CG2 4.15Å; I24-T151 PolarHBondContact N-O 2.85Å; I24-Y152 HydrophobicContact CB-CD1 3.91Å; I24-Y152 HydrophobicContact CB-CE1 4.08Å; I24-Y152 HydrophobicContact CD1-CE1 3.96Å; I24-Y152 HydrophobicContact CG2-CD1 4.05Å; I24-Y152 HydrophobicContact CG2-CE1 4.03Å; I24-Y152 CarbonylContact O-C 3.44Å; I24-Y152 WeakPolarHBondContact O-CA 3.45Å; I24-R153 PolarHBondContact O-N 3.36Å
25E97.1Very high94.9Very high72 Ų7242.4 Ų42.434%0.33624%0.244SC..EExtended strand (participates in β ladder)trans-84.1122.9172.4-63.1-178.1160.900110Q51 T52 R109 R153 Q155E25-Q51 CarbonylContact O-C 3.55Å; E25-Q51 WeakPolarHBondContact O-CA 3.42Å; E25-T52 PolarHBondContact N-O 2.82Å; E25-T52 PolarHBondContact O-N 2.96Å; E25-R109 IonicContact OE2-NH2 3.72Å; E25-R153 CarbonylContact C-O 3.51Å; E25-R153 VanDerWaalsContact CA-O 3.25Å; E25-R153 WeakPolarHBondContact CA-O 3.2Å; E25-Q155 HydrophobicContact CB-CG 3.78Å
26T97.3Very high94.8Very high0 Ų043.2 Ų43.20%025%0.248CC..EExtended strand (participates in β ladder)trans-110.3143.1-177.855.10000112I24 F49 A50 Q51 F140 Y152 R153 Q155I24-T26 HydrophobicContact CG2-CG2 4.1Å; T26-F49 HydrophobicContact CG2-CZ 4.13Å; T26-A50 WeakPolarHBondContact CA-O 3.45Å; T26-Q51 HydrophobicContact CG2-CG 4.42Å; T26-F140 HydrophobicContact CG2-CE2 4.01Å; T26-Y152 HydrophobicContact CG2-CD1 3.7Å; T26-Y152 HydrophobicContact CG2-CE1 4.24Å; T26-R153 PolarHBondContact N-O 2.97Å; T26-R153 PolarHBondContact OG1-O 2.93Å; T26-Q155 PolarHBondContact O-N 2.73Å
27A96.3Very high94.8Very high14 Ų1443.9 Ų43.912%0.11625%0.252CS..EExtended strand (participates in β ladder)trans-137.7144.5170.200000109.7A50 Q155 A158A27-A50 HydrophobicContact CB-CB 4.31Å; A27-A50 PolarHBondContact N-O 2.82Å; A27-A50 PolarHBondContact O-N 3.45Å; A27-Q155 HydrophobicContact CB-CB 4.31Å; A27-Q155 HydrophobicContact CB-CG 4.33Å; A27-A158 CarbonylContact C-O 3.57Å; A27-A158 VanDerWaalsContact CA-O 3.24Å; A27-A158 WeakPolarHBondContact CA-O 3.45Å
28V96.8Very high94.6Very high5 Ų540 Ų403%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-126.1130.7-178.2-174.50000108.6V30 I47 F49 W154 A158 V159 E160 I196V28-V30 HydrophobicContact CG1-CG2 4.34Å; V28-I47 HydrophobicContact CG1-CB 4Å; V28-I47 HydrophobicContact CG1-CD1 4.09Å; V28-I47 HydrophobicContact CG1-CG2 4.01Å; V28-F49 HydrophobicContact CG2-CD2 3.82Å; V28-F49 HydrophobicContact CG2-CE2 4Å; V28-W154 HydrophobicContact CG2-CZ3 4.46Å; V28-A158 PolarHBondContact N-O 2.92Å; V28-V159 HydrophobicContact CB-CG1 4.14Å; V28-V159 HydrophobicContact CB-CG2 4.36Å; V28-V159 HydrophobicContact CG1-CG1 4.49Å; V28-V159 CarbonylContact O-C 3.6Å; V28-V159 VanDerWaalsContact O-CA 3.22Å; V28-V159 WeakPolarHBondContact O-CA 3.49Å; V28-E160 PolarHBondContact O-N 2.89Å; V28-I196 HydrophobicContact CB-CD1 4.08Å; V28-I196 HydrophobicContact CG1-CD1 4.31Å; V28-I196 HydrophobicContact CG2-CD1 3.77Å
29Y95.8Very high94.5Very high85 Ų8541 Ų4133%0.33322%0.219SC..EExtended strand (participates in β ladder)trans-113.1116.6169.1-177.6-84.2000108.8N31 I47 F48 E160 A162Y29-N31 WeakPolarHBondContact CD1-OD1 3.43Å; Y29-N31 VanDerWaalsContact CE1-OD1 3.24Å; Y29-N31 WeakPolarHBondContact CE1-OD1 3.25Å; Y29-N31 PolarHBondContact O-N 3.17Å; Y29-I47 CarbonylContact O-C 3.21Å; Y29-I47 VanDerWaalsContact O-CA 3.23Å; Y29-I47 WeakPolarHBondContact O-CA 3.48Å; Y29-F48 AromaticContact CD1-CD2 3.76Å; Y29-F48 HydrophobicContact CD1-CD2 3.76Å; Y29-F48 HydrophobicContact CD1-CE2 4.42Å; Y29-F48 HydrophobicContact CE1-CD2 4.47Å; Y29-F48 HydrophobicContact CG-CD2 4.47Å; Y29-F48 PolarHBondContact N-O 2.92Å; Y29-F48 PolarHBondContact O-N 3.45Å; Y29-E160 CarbonylContact C-O 3.58Å; Y29-E160 WeakPolarHBondContact CA-O 3.41Å; Y29-E160 HydrophobicContact CD2-CB 3.71Å; Y29-E160 HydrophobicContact CE2-CB 4.23Å; Y29-A162 HydrophobicContact CE1-CB 4.02Å; Y29-A162 WeakPolarHBondContact OH-CB 3.42Å
30V95.6Very high94.4Very high0 Ų038.9 Ų38.90%020%0.204CC..EExtended strand (participates in β ladder)trans-86.2109.8-179.6-176.60000109.1V28 I33 I45 I47 V159 E160 A162 W167 F198V28-V30 HydrophobicContact CG1-CG2 4.34Å; V30-I33 HydrophobicContact CG1-CG1 4.02Å; V30-I45 HydrophobicContact CG1-CD1 4.02Å; V30-I45 HydrophobicContact CG1-CG1 4.12Å; V30-I45 HydrophobicContact CG2-CD1 4.32Å; V30-I47 HydrophobicContact CG2-CG2 4.2Å; V30-V159 HydrophobicContact CG2-CG1 4.08Å; V30-E160 PolarHBondContact N-O 2.8Å; V30-A162 WeakPolarHBondContact O-CB 3.49Å; V30-A162 PolarHBondContact O-N 2.87Å; V30-W167 HydrophobicContact CG1-CH2 4.27Å; V30-W167 HydrophobicContact CG1-CZ2 3.86Å; V30-F198 HydrophobicContact CG2-CE1 4Å; V30-F198 HydrophobicContact CG2-CZ 4.07Å
31N93.6Very high94.3Very high31 Ų3133.6 Ų33.617%0.16619%0.185CC..EExtended strand (participates in β ladder)trans-71.4-50.9174.4-73.6-36.4000110.7Y29 D46 F48 A162 W167Y29-N31 WeakPolarHBondContact CD1-OD1 3.43Å; Y29-N31 VanDerWaalsContact CE1-OD1 3.24Å; Y29-N31 WeakPolarHBondContact CE1-OD1 3.25Å; Y29-N31 PolarHBondContact O-N 3.17Å; N31-D46 HydrophobicContact CB-CB 4.2Å; N31-D46 WeakPolarHBondContact CB-O 3.47Å; N31-D46 PolarHBondContact N-O 2.84Å; N31-D46 PolarHBondContact ND2-OD1 2.79Å; N31-F48 WeakPolarHBondContact ND2-CD2 3.24Å; N31-F48 WeakPolarHBondContact ND2-CE2 3.39Å; N31-F48 WeakPolarHBondContact OD1-CD2 3.46Å; N31-F48 WeakPolarHBondContact OD1-CE2 3.37Å; N31-A162 WeakPolarHBondContact O-CB 3.27Å; N31-W167 PolarHBondContact O-NE1 3.29Å
32S93.8Very high94.3Very high30 Ų3032.8 Ų32.821%0.2118%0.177CC..EExtended strand (participates in β ladder)trans-159143.4179.663.30000111D46S32-D46 PolarHBondContact N-O 3.43Å; S32-D46 PolarHBondContact O-N 3.05Å
33I93.9Very high94.2Very high0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-92.9124.7160.4-52.1-177.5000106.5V30 Y43 I45 W167 R168 L169 F174 F198V30-I33 HydrophobicContact CG1-CG1 4.02Å; I33-Y43 HydrophobicContact CG2-CD2 4.24Å; I33-I45 HydrophobicContact CG1-CD1 4.37Å; I33-I45 HydrophobicContact CG1-CG1 4.3Å; I33-W167 HydrophobicContact CB-CE3 4.14Å; I33-W167 HydrophobicContact CB-CZ3 4.24Å; I33-W167 HydrophobicContact CD1-CE3 4.19Å; I33-W167 HydrophobicContact CD1-CH2 3.68Å; I33-W167 HydrophobicContact CD1-CZ3 3.44Å; I33-W167 VanDerWaalsContact CD1-CZ3 3.44Å; I33-W167 HydrophobicContact CG1-CE3 4.05Å; I33-W167 HydrophobicContact CG1-CH2 3.78Å; I33-W167 HydrophobicContact CG1-CZ2 4.27Å; I33-W167 HydrophobicContact CG1-CZ3 3.68Å; I33-R168 PolarHBondContact O-N 3.49Å; I33-L169 HydrophobicContact CB-CD1 4.47Å; I33-L169 HydrophobicContact CB-CD2 4.27Å; I33-L169 HydrophobicContact CB-CG 4.43Å; I33-L169 HydrophobicContact CG2-CD2 3.86Å; I33-F174 HydrophobicContact CD1-CD2 4.31Å; I33-F198 HydrophobicContact CD1-CB 4.29Å; I33-F198 HydrophobicContact CD1-CD1 3.78Å; I33-F198 HydrophobicContact CD1-CE1 4.33Å; I33-F198 HydrophobicContact CD1-CG 4.05Å
34G91.5Very high94.1Very high6 Ų631.5 Ų31.56%0.06217%0.17CC..EExtended strand (participates in β ladder)trans-85.8-165.2179.400000112.3T44 L169G34-T44 VanDerWaalsContact CA-OG1 3.22Å; G34-T44 WeakPolarHBondContact CA-OG1 3.09Å; G34-T44 PolarHBondContact N-O 3.06Å; G34-L169 WeakPolarHBondContact O-CD2 3.07Å
35P91.9Very high94Very high67 Ų6731.6 Ų31.644%0.43517%0.17SC..EExtended strand (participates in β ladder)trans-61.4144.8178.226-35.3000111.5T44P35-T44 VanDerWaalsContact CD-OG1 3.27Å; P35-T44 WeakPolarHBondContact CD-OG1 3.25Å; P35-T44 PolarHBondContact O-N 3.21Å; P35-T44 PolarHBondContact O-OG1 3.24Å
36V93Very high93.9Very high16 Ų1629 Ų2910%0.09716%0.159CC..EExtended strand (participates in β ladder)trans-98.2122.5169.5-178.40000107.1P38 L124 L169 F172 L200V36-P38 WeakPolarHBondContact O-CD 3.32Å; V36-L124 HydrophobicContact CG1-CD1 4.07Å; V36-L169 HydrophobicContact CG2-CD2 4.3Å; V36-F172 HydrophobicContact CB-CD2 3.82Å; V36-F172 HydrophobicContact CB-CE2 3.61Å; V36-F172 HydrophobicContact CB-CZ 4.49Å; V36-F172 HydrophobicContact CG1-CD2 4.4Å; V36-F172 HydrophobicContact CG1-CE2 3.78Å; V36-F172 HydrophobicContact CG1-CZ 4.22Å; V36-F172 HydrophobicContact CG2-CD2 3.87Å; V36-F172 HydrophobicContact CG2-CE2 4.11Å; V36-L200 HydrophobicContact CG2-CD1 3.91Å
37D91.9Very high93.9Very high49 Ų4929 Ų2926%0.26216%0.159SC..EExtended strand (participates in β ladder)trans-97.6106.9178-174.3-13.8000109.9I39 N40 M41 E42D37-I39 VanDerWaalsContact C-N 3.27Å; D37-I39 PolarHBondContact O-N 3.21Å; D37-I39 WeakPolarHBondContact OD1-CB 3.49Å; D37-I39 PolarHBondContact OD1-N 3.25Å; D37-N40 HydrophobicContact CB-CB 4.46Å; D37-N40 PolarHBondContact OD1-N 3.3Å; D37-N40 PolarHBondContact OD2-ND2 3.08Å; D37-M41 WeakPolarHBondContact O-CA 3.46Å; D37-M41 PolarHBondContact O-N 2.8Å; D37-E42 HydrophobicContact CB-CG 3.97Å; D37-E42 PolarHBondContact N-O 3.38Å; D37-E42 PolarHBondContact O-N 3.23Å
38P89.8Confident93.9Very high11 Ų1132 Ų327%0.07117%0.169CC..THydrogen-bonded Turntrans-72.7-18.4179.731.6-35.4000113.3V36 L124 P259V36-P38 WeakPolarHBondContact O-CD 3.32Å; P38-L124 HydrophobicContact CB-CD1 4.04Å; P38-P259 WeakPolarHBondContact O-CD 3.22Å; P38-P259 WeakPolarHBondContact O-CG 3.35Å
39I90.3Very high93.9Very high96 Ų9632 Ų3249%0.49217%0.168SC..THydrogen-bonded Turntrans-77.2-48.4-179.7-60.7174.6000109.6D37 M41D37-I39 VanDerWaalsContact C-N 3.27Å; D37-I39 PolarHBondContact O-N 3.21Å; D37-I39 WeakPolarHBondContact OD1-CB 3.49Å; D37-I39 PolarHBondContact OD1-N 3.25Å; I39-M41 VanDerWaalsContact C-N 3.34Å
40N92.1Very high94Very high77 Ų7728.6 Ų28.641%0.41216%0.158SC..THydrogen-bonded Turntrans-86.2-6.2-178.5-70.2-46.5000113.7D37 E42 R88D37-N40 HydrophobicContact CB-CB 4.46Å; D37-N40 PolarHBondContact OD1-N 3.3Å; D37-N40 PolarHBondContact OD2-ND2 3.08Å; N40-E42 HydrophobicContact CB-CG 3.75Å; N40-R88 PolarHBondContact O-NH1 3.35Å
41M92.8Very high94.1Very high33 Ų3328.8 Ų28.816%0.16316%0.159CC..THydrogen-bonded Turntrans57.346.9-176.4-59.6-67-178.900111.7D37 I39 E121 C122 L124 L126 P259D37-M41 WeakPolarHBondContact O-CA 3.46Å; D37-M41 PolarHBondContact O-N 2.8Å; I39-M41 VanDerWaalsContact C-N 3.34Å; M41-E121 WeakPolarHBondContact O-CA 3.34Å; M41-C122 CarbonylContact C-O 3.55Å; M41-C122 PolarHBondContact O-N 3.16Å; M41-L124 HydrophobicContact SD-CB 3.84Å; M41-L124 HydrophobicContact SD-CD1 4.33Å; M41-L124 HydrophobicContact SD-CG 4.07Å; M41-L126 HydrophobicContact CE-CD1 4.32Å; M41-P259 HydrophobicContact CE-CB 4.1Å; M41-P259 HydrophobicContact CE-CG 3.66Å
42E94.9Very high94.2Very high36 Ų3627.5 Ų27.517%0.16815%0.152CC..EExtended strand (participates in β ladder)trans-137157.4-176.165.1-177.3-149.700112D37 N40 R88 A120D37-E42 HydrophobicContact CB-CG 3.97Å; D37-E42 PolarHBondContact N-O 3.38Å; D37-E42 PolarHBondContact O-N 3.23Å; N40-E42 HydrophobicContact CB-CG 3.75Å; E42-R88 IonicContact OE2-NH1 3.72Å; E42-A120 CarbonylContact C-O 3.5Å; E42-A120 VanDerWaalsContact CA-O 3.25Å; E42-A120 WeakPolarHBondContact CA-O 3.47Å; E42-A120 WeakPolarHBondContact CB-O 3.24Å
43Y95.4Very high94.4Very high1 Ų126.1 Ų26.10%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-137152.2170.972.5-78000109.9I33 I45 N119 A120 C122 C136 P137 F198I33-Y43 HydrophobicContact CG2-CD2 4.24Å; Y43-I45 HydrophobicContact CD2-CB 4.46Å; Y43-I45 HydrophobicContact CE2-CB 4.16Å; Y43-I45 HydrophobicContact CE2-CG2 4.31Å; Y43-N119 WeakPolarHBondContact O-CA 3.46Å; Y43-A120 HydrophobicContact CD1-CB 4.15Å; Y43-A120 WeakPolarHBondContact CD1-O 3.39Å; Y43-A120 HydrophobicContact CE1-CB 3.53Å; Y43-A120 HydrophobicContact CE2-CB 4.4Å; Y43-A120 PolarHBondContact N-O 3.08Å; Y43-A120 PolarHBondContact O-N 3.37Å; Y43-C122 HydrophobicContact CD1-CB 3.65Å; Y43-C122 HydrophobicContact CE1-CB 3.91Å; Y43-C136 HydrophobicContact CD1-CB 3.98Å; Y43-C136 HydrophobicContact CE1-CB 3.67Å; Y43-P137 PolarHBondContact OH-O 3.35Å; Y43-F198 HydrophobicContact CE2-CD2 4.39Å
44T95Very high94.6Very high33 Ų3331.7 Ų31.720%0.20216%0.164CC..EExtended strand (participates in β ladder)trans-101.9139.7-179.656.60000110.1G34 P35 I118 N119G34-T44 VanDerWaalsContact CA-OG1 3.22Å; G34-T44 WeakPolarHBondContact CA-OG1 3.09Å; G34-T44 PolarHBondContact N-O 3.06Å; P35-T44 VanDerWaalsContact CD-OG1 3.27Å; P35-T44 WeakPolarHBondContact CD-OG1 3.25Å; P35-T44 PolarHBondContact O-N 3.21Å; P35-T44 PolarHBondContact O-OG1 3.24Å; T44-I118 CarbonylContact C-O 3.45Å; T44-I118 WeakPolarHBondContact CA-O 3.38Å; T44-N119 VanDerWaalsContact CG2-OD1 3.28Å; T44-N119 WeakPolarHBondContact CG2-OD1 3.4Å
45I95.6Very high94.8Very high2 Ų231.4 Ų31.41%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-141.2137.5178.6-166.2176.6000110.9V30 I33 Y43 I47 T117 I118 L138 F198V30-I45 HydrophobicContact CG1-CD1 4.02Å; V30-I45 HydrophobicContact CG1-CG1 4.12Å; V30-I45 HydrophobicContact CG2-CD1 4.32Å; I33-I45 HydrophobicContact CG1-CD1 4.37Å; I33-I45 HydrophobicContact CG1-CG1 4.3Å; Y43-I45 HydrophobicContact CD2-CB 4.46Å; Y43-I45 HydrophobicContact CE2-CB 4.16Å; Y43-I45 HydrophobicContact CE2-CG2 4.31Å; I45-I47 HydrophobicContact CD1-CG2 3.72Å; I45-I47 HydrophobicContact CG1-CG2 3.73Å; I45-T117 CarbonylContact O-C 3.57Å; I45-T117 WeakPolarHBondContact O-CA 3.4Å; I45-I118 HydrophobicContact CG2-CB 3.9Å; I45-I118 PolarHBondContact N-O 3.11Å; I45-I118 PolarHBondContact O-N 3.21Å; I45-L138 HydrophobicContact CD1-CD2 4.4Å; I45-F198 HydrophobicContact CD1-CE1 4.35Å; I45-F198 HydrophobicContact CD1-CE2 3.72Å; I45-F198 HydrophobicContact CD1-CZ 3.6Å
46D95.6Very high94.9Very high18 Ų1830.7 Ų30.710%0.09616%0.158CC..EExtended strand (participates in β ladder)trans-110.3120.5172.7-176.9-20.7000108.9N31 S32 R115 L116N31-D46 HydrophobicContact CB-CB 4.2Å; N31-D46 WeakPolarHBondContact CB-O 3.47Å; N31-D46 PolarHBondContact N-O 2.84Å; N31-D46 PolarHBondContact ND2-OD1 2.79Å; S32-D46 PolarHBondContact N-O 3.43Å; S32-D46 PolarHBondContact O-N 3.05Å; D46-R115 IonicContact OD1-CZ 3.21Å; D46-R115 IonicContact OD1-NE 2.7Å; D46-R115 PolarHBondContact OD1-NE 3.03Å; D46-R115 VanDerWaalsContact OD1-NE 3.11Å; D46-R115 IonicContact OD1-NH2 2.69Å; D46-R115 IonicContact OD2-CZ 2.8Å; D46-R115 IonicContact OD2-NE 2.82Å; D46-R115 PolarHBondContact OD2-NE 2.9Å; D46-R115 IonicContact OD2-NH2 3.49Å; D46-R115 PolarHBondContact OD2-NH2 2.94Å; D46-L116 WeakPolarHBondContact CA-O 3.37Å
47I96.3Very high95Very high0 Ų033.8 Ų33.80%017%0.168CC..EExtended strand (participates in β ladder)trans-131.6150.6-176.766.1177000111.7V28 Y29 V30 I45 F49 F84 R115 L116 I118 L138V28-I47 HydrophobicContact CG1-CB 4Å; V28-I47 HydrophobicContact CG1-CD1 4.09Å; V28-I47 HydrophobicContact CG1-CG2 4.01Å; Y29-I47 CarbonylContact O-C 3.21Å; Y29-I47 VanDerWaalsContact O-CA 3.23Å; Y29-I47 WeakPolarHBondContact O-CA 3.48Å; V30-I47 HydrophobicContact CG2-CG2 4.2Å; I45-I47 HydrophobicContact CD1-CG2 3.72Å; I45-I47 HydrophobicContact CG1-CG2 3.73Å; I47-F49 HydrophobicContact CD1-CB 4.3Å; I47-F49 HydrophobicContact CD1-CD2 4.48Å; I47-F84 HydrophobicContact CD1-CE1 4.15Å; I47-F84 HydrophobicContact CD1-CZ 3.82Å; I47-R115 WeakPolarHBondContact O-CA 3.47Å; I47-L116 HydrophobicContact CG1-CB 4.17Å; I47-L116 PolarHBondContact N-O 2.79Å; I47-L116 PolarHBondContact O-N 3.13Å; I47-I118 HydrophobicContact CD1-CD1 3.75Å; I47-I118 HydrophobicContact CG1-CD1 4.31Å; I47-L138 HydrophobicContact CD1-CD2 4.31Å
48F96.6Very high95.1Very high76 Ų7631.8 Ų31.833%0.33316%0.157SC..EExtended strand (participates in β ladder)trans-93.2118.3152.2-61-71.4000108.7Y29 N31 T113 L114 R115Y29-F48 AromaticContact CD1-CD2 3.76Å; Y29-F48 HydrophobicContact CD1-CD2 3.76Å; Y29-F48 HydrophobicContact CD1-CE2 4.42Å; Y29-F48 HydrophobicContact CE1-CD2 4.47Å; Y29-F48 HydrophobicContact CG-CD2 4.47Å; Y29-F48 PolarHBondContact N-O 2.92Å; Y29-F48 PolarHBondContact O-N 3.45Å; N31-F48 WeakPolarHBondContact ND2-CD2 3.24Å; N31-F48 WeakPolarHBondContact ND2-CE2 3.39Å; N31-F48 WeakPolarHBondContact OD1-CD2 3.46Å; N31-F48 WeakPolarHBondContact OD1-CE2 3.37Å; F48-T113 HydrophobicContact CB-CG2 4.32Å; F48-L114 WeakPolarHBondContact CA-O 3.22Å; F48-R115 HydrophobicContact CD1-CB 3.68Å; F48-R115 HydrophobicContact CD1-CG 3.89Å; F48-R115 HydrophobicContact CE1-CB 3.62Å; F48-R115 HydrophobicContact CE1-CG 3.66Å; F48-R115 HydrophobicContact CZ-CG 4.37Å
49F97.4Very high95.3Very high4 Ų437.2 Ų37.22%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-99.4121.9177.8-171.1-113.1000109T26 V28 I47 Q51 T82 F84 T113 L114 L116 F140T26-F49 HydrophobicContact CG2-CZ 4.13Å; V28-F49 HydrophobicContact CG2-CD2 3.82Å; V28-F49 HydrophobicContact CG2-CE2 4Å; I47-F49 HydrophobicContact CD1-CB 4.3Å; I47-F49 HydrophobicContact CD1-CD2 4.48Å; F49-Q51 HydrophobicContact CD1-CG 3.83Å; F49-Q51 HydrophobicContact CE1-CG 3.42Å; F49-Q51 VanDerWaalsContact CE1-CG 3.42Å; F49-Q51 HydrophobicContact CZ-CG 4.11Å; F49-T82 HydrophobicContact CE1-CG2 3.87Å; F49-T82 HydrophobicContact CZ-CG2 3.89Å; F49-F84 HydrophobicContact CD2-CZ 4.16Å; F49-F84 HydrophobicContact CE2-CZ 4.38Å; F49-F84 HydrophobicContact CG-CZ 4.39Å; F49-T113 VanDerWaalsContact O-CA 3.26Å; F49-T113 WeakPolarHBondContact O-CA 3.38Å; F49-T113 WeakPolarHBondContact O-CG2 3.42Å; F49-L114 HydrophobicContact CB-CD2 4.13Å; F49-L114 HydrophobicContact CD1-CD2 4.03Å; F49-L114 PolarHBondContact N-O 2.83Å; F49-L114 PolarHBondContact O-N 2.91Å; F49-L116 HydrophobicContact CB-CD1 4.29Å; F49-F140 HydrophobicContact CE2-CD1 4.34Å; F49-F140 HydrophobicContact CE2-CD2 4.15Å; F49-F140 HydrophobicContact CE2-CE1 4.07Å; F49-F140 AromaticContact CE2-CE2 3.87Å; F49-F140 HydrophobicContact CE2-CE2 3.87Å; F49-F140 HydrophobicContact CE2-CG 4.37Å; F49-F140 AromaticContact CE2-CZ 3.82Å; F49-F140 HydrophobicContact CE2-CZ 3.82Å; F49-F140 AromaticContact CZ-CD2 3.83Å; F49-F140 HydrophobicContact CZ-CD2 3.83Å; F49-F140 AromaticContact CZ-CE2 3.75Å; F49-F140 HydrophobicContact CZ-CE2 3.75Å; F49-F140 HydrophobicContact CZ-CG 4.35Å; F49-F140 HydrophobicContact CZ-CZ 4.2Å
50A96.6Very high95.5Very high15 Ų1533.6 Ų33.612%0.12416%0.16CC..EExtended strand (participates in β ladder)trans-116.7135.9-179.200000110.7T26 A27 Y112 T113T26-A50 WeakPolarHBondContact CA-O 3.45Å; A27-A50 HydrophobicContact CB-CB 4.31Å; A27-A50 PolarHBondContact N-O 2.82Å; A27-A50 PolarHBondContact O-N 3.45Å; A50-Y112 CarbonylContact C-O 3.5Å; A50-Y112 WeakPolarHBondContact CA-O 3.38Å; A50-T113 HydrophobicContact CB-CG2 4.15Å
51Q97.4Very high95.5Very high4 Ų438.2 Ų38.22%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-131137.3-179.6-55.5-173.5-74.900109I24 E25 T26 F49 W53 T82 M111 Y112I24-Q51 HydrophobicContact CG2-CB 4.08Å; E25-Q51 CarbonylContact O-C 3.55Å; E25-Q51 WeakPolarHBondContact O-CA 3.42Å; T26-Q51 HydrophobicContact CG2-CG 4.42Å; F49-Q51 HydrophobicContact CD1-CG 3.83Å; F49-Q51 HydrophobicContact CE1-CG 3.42Å; F49-Q51 VanDerWaalsContact CE1-CG 3.42Å; F49-Q51 HydrophobicContact CZ-CG 4.11Å; Q51-W53 HydrophobicContact CB-CE3 4.36Å; Q51-W53 HydrophobicContact CB-CZ3 4.12Å; Q51-T82 PolarHBondContact NE2-OG1 2.99Å; Q51-M111 CarbonylContact O-C 3.5Å; Q51-M111 WeakPolarHBondContact O-CA 3.07Å; Q51-Y112 PolarHBondContact N-O 2.84Å; Q51-Y112 PolarHBondContact O-N 2.81Å
52T97.3Very high95.4Very high3 Ų338.7 Ų38.72%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-132.5129.1179-58.70000109.9I24 E25 R109 V110 Q155I24-T52 CarbonylContact C-O 3.59Å; I24-T52 WeakPolarHBondContact CA-O 3.36Å; E25-T52 PolarHBondContact N-O 2.82Å; E25-T52 PolarHBondContact O-N 2.96Å; T52-R109 HydrophobicContact CG2-CG 3.76Å; T52-V110 WeakPolarHBondContact CA-O 3.45Å; T52-Q155 PolarHBondContact OG1-NE2 3.4Å
53W97.3Very high95.2Very high2 Ų242.6 Ų42.61%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-142.1175.2174.366.998.4000110.2T22 I24 Q51 W78 I79 P80 R109 V110 Y112T22-W53 HydrophobicContact CG2-CB 4.24Å; I24-W53 HydrophobicContact CG1-CB 4.33Å; Q51-W53 HydrophobicContact CB-CE3 4.36Å; Q51-W53 HydrophobicContact CB-CZ3 4.12Å; W53-W78 HydrophobicContact CG-CZ3 4.47Å; W53-W78 WeakPolarHBondContact CZ2-O 3.43Å; W53-W78 AromaticContact NE1-CE3 3.9Å; W53-W78 AromaticContact NE1-CZ3 3.98Å; W53-I79 HydrophobicContact CH2-CD1 3.86Å; W53-I79 HydrophobicContact CZ2-CD1 4.19Å; W53-P80 HydrophobicContact CZ3-CG 4.31Å; W53-R109 WeakPolarHBondContact O-CA 3.4Å; W53-V110 HydrophobicContact CD2-CB 4.1Å; W53-V110 HydrophobicContact CH2-CB 4.36Å; W53-V110 HydrophobicContact CH2-CG1 3.76Å; W53-V110 HydrophobicContact CZ2-CB 3.87Å; W53-V110 HydrophobicContact CZ2-CG1 3.52Å; W53-V110 HydrophobicContact CZ2-CG2 4.43Å; W53-V110 HydrophobicContact CZ3-CG1 4.36Å; W53-V110 PolarHBondContact N-O 3.34Å; W53-V110 PolarHBondContact O-N 3.02Å; W53-Y112 HydrophobicContact CH2-CG 4.46Å
54Y96.9Very high94.9Very high116 Ų11647.6 Ų47.646%0.45525%0.247SC..EExtended strand (participates in β ladder)trans-109130.3173.3-79.2-92.2000110R109Y54-R109 HydrophobicContact CD1-CB 4.11Å; Y54-R109 HydrophobicContact CE1-CB 3.72Å; Y54-R109 HydrophobicContact CE1-CG 4.34Å; Y54-R109 HydrophobicContact CE2-CG 4.39Å
55D96.6Very high94.7Very high1 Ų153.9 Ų53.91%0.00527%0.272CS..  trans-121.9113.1168.4-166.5-29000109.3Y9 P15 R57 L58 G108 V110Y9-D55 PolarHBondContact OH-OD2 2.92Å; P15-D55 HydrophobicContact CB-CB 4.33Å; P15-D55 HydrophobicContact CG-CB 4.05Å; D55-R57 PolarHBondContact O-N 3.07Å; D55-R57 VanDerWaalsContact OD1-CB 3.25Å; D55-R57 WeakPolarHBondContact OD1-CB 3.39Å; D55-R57 WeakPolarHBondContact OD1-CG 3.26Å; D55-R57 IonicContact OD1-CZ 3.83Å; D55-R57 PolarHBondContact OD1-N 3.2Å; D55-R57 IonicContact OD1-NE 3.96Å; D55-R57 PolarHBondContact OD1-NE 3.19Å; D55-R57 IonicContact OD1-NH2 2.77Å; D55-R57 IonicContact OD2-CZ 3.11Å; D55-R57 IonicContact OD2-NE 2.68Å; D55-R57 PolarHBondContact OD2-NE 2.82Å; D55-R57 IonicContact OD2-NH2 3.35Å; D55-R57 PolarHBondContact OD2-NH2 2.87Å; D55-L58 HydrophobicContact CB-CB 4.35Å; D55-L58 HydrophobicContact CB-CD1 4.06Å; D55-L58 HydrophobicContact CB-CG 4.18Å; D55-L58 PolarHBondContact O-N 3.01Å; D55-G108 PolarHBondContact N-O 3.06Å; D55-G108 WeakPolarHBondContact O-CA 3.5Å; D55-V110 HydrophobicContact CB-CG2 4.33Å
56S93.6Very high94.6Very high51 Ų5156.1 Ų56.136%0.35728%0.284SS..G310 helixtrans-64.2-27.5-179.6540000112.8D16 L58 K59D16-S56 PolarHBondContact OD1-OG 3.02Å; S56-L58 VanDerWaalsContact C-N 3.31Å; S56-L58 PolarHBondContact O-N 2.99Å; S56-K59 WeakPolarHBondContact O-CG 3.47Å
57R94.8Very high94.5Very high82 Ų8256.1 Ų56.131%0.30928%0.284SS..G310 helixtrans-73.4-23.7-180-55170.2-67.8-175.30.1112.5Y9 D10 L13 D55 K59Y9-R57 HydrophobicContact CD2-CB 4.05Å; Y9-R57 HydrophobicContact CE2-CB 4.01Å; Y9-R57 PolarHBondContact OH-NH2 3.08Å; D10-R57 PolarHBondContact O-NH1 2.93Å; L13-R57 PolarHBondContact O-NH1 3.2Å; L13-R57 PolarHBondContact O-NH2 3.1Å; L13-R57 VanDerWaalsContact O-NH2 3.07Å; D55-R57 PolarHBondContact O-N 3.07Å; D55-R57 VanDerWaalsContact OD1-CB 3.25Å; D55-R57 WeakPolarHBondContact OD1-CB 3.39Å; D55-R57 WeakPolarHBondContact OD1-CG 3.26Å; D55-R57 IonicContact OD1-CZ 3.83Å; D55-R57 PolarHBondContact OD1-N 3.2Å; D55-R57 IonicContact OD1-NE 3.96Å; D55-R57 PolarHBondContact OD1-NE 3.19Å; D55-R57 IonicContact OD1-NH2 2.77Å; D55-R57 IonicContact OD2-CZ 3.11Å; D55-R57 IonicContact OD2-NE 2.68Å; D55-R57 PolarHBondContact OD2-NE 2.82Å; D55-R57 IonicContact OD2-NH2 3.35Å; D55-R57 PolarHBondContact OD2-NH2 2.87Å; R57-K59 VanDerWaalsContact C-N 3.33Å
58L94.8Very high94.3Very high6 Ų662.3 Ų62.33%0.03131%0.314CS..G310 helixtrans-92.211.5-179.3-63178000113.5L5 Y9 D55 S56 I77 L104 V110L5-L58 HydrophobicContact CB-CD2 4.38Å; Y9-L58 HydrophobicContact CD2-CD2 3.89Å; Y9-L58 HydrophobicContact CD2-CG 4.48Å; Y9-L58 HydrophobicContact CE2-CD1 4.37Å; Y9-L58 HydrophobicContact CE2-CD2 3.69Å; Y9-L58 HydrophobicContact CE2-CG 3.86Å; D55-L58 HydrophobicContact CB-CB 4.35Å; D55-L58 HydrophobicContact CB-CD1 4.06Å; D55-L58 HydrophobicContact CB-CG 4.18Å; D55-L58 PolarHBondContact O-N 3.01Å; S56-L58 VanDerWaalsContact C-N 3.31Å; S56-L58 PolarHBondContact O-N 2.99Å; L58-I77 HydrophobicContact CD1-CG2 4.14Å; L58-I77 HydrophobicContact CD2-CG2 4.33Å; L58-L104 HydrophobicContact CB-CD1 3.74Å; L58-L104 HydrophobicContact CB-CD2 4.29Å; L58-L104 HydrophobicContact CD1-CD1 4.21Å; L58-V110 HydrophobicContact CD1-CG2 3.85Å
59K94.6Very high94Very high125 Ų12559.7 Ų59.754%0.54330%0.304SS..  trans-69.5135.5174.7-73.1177.8178178.20110.9L5 S56 R57 N107L5-K59 WeakPolarHBondContact CD2-O 3.46Å; S56-K59 WeakPolarHBondContact O-CG 3.47Å; R57-K59 VanDerWaalsContact C-N 3.33Å; K59-N107 WeakPolarHBondContact CE-O 3.3Å
60F93.9Very high93.7Very high21 Ų2165.4 Ų65.49%0.09233%0.334CS..  trans-138.2142.7174.762.5-82.1000110.8I1 L5 M64 L67 L104 S106I1-F60 HydrophobicContact CD1-CD2 4.39Å; I1-F60 HydrophobicContact CG2-CB 3.88Å; I1-F60 HydrophobicContact CG2-CD1 4.47Å; I1-F60 HydrophobicContact CG2-CD2 3.83Å; I1-F60 HydrophobicContact CG2-CG 3.81Å; L5-F60 HydrophobicContact CD1-CB 4.4Å; L5-F60 HydrophobicContact CD1-CD1 4.07Å; L5-F60 HydrophobicContact CD1-CG 4.47Å; L5-F60 HydrophobicContact CD2-CB 4.12Å; F60-M64 WeakPolarHBondContact CE2-O 3.24Å; F60-L67 HydrophobicContact CD1-CD1 4.42Å; F60-L67 HydrophobicContact CE1-CD1 3.84Å; F60-L67 HydrophobicContact CE1-CG 4.22Å; F60-L67 HydrophobicContact CE2-CD1 4.18Å; F60-L67 HydrophobicContact CE2-CG 4.26Å; F60-L67 HydrophobicContact CZ-CD1 3.71Å; F60-L67 HydrophobicContact CZ-CG 3.7Å; F60-L104 HydrophobicContact CD1-CD2 4.29Å; F60-L104 HydrophobicContact CE1-CD2 4.06Å; F60-L104 HydrophobicContact CE1-CG 4.04Å; F60-S106 VanDerWaalsContact CE1-CA 3.5Å; F60-S106 PolarHBondContact N-O 2.81Å; F60-S106 WeakPolarHBondContact O-CB 3.44Å
61N92.6Very high93.3Very high173 Ų17365.7 Ų65.793%0.92534%0.335SS*.  trans-99.2114.2172-166.4-2.9000108.9
62S89.9Confident92.9Very high44 Ų4471.9 Ų71.931%0.30837%0.368SS..SBendtrans-159.3166.8179.1-170.50000109.7I1 M64I1-S62 WeakPolarHBondContact CD1-OG 3.42Å; S62-M64 VanDerWaalsContact C-N 3.28Å
63S90.5Very high92.6Very high117 Ų11772.9 Ų72.982%0.81837%0.373SS*.SBendtrans-65.9-30.6171.652.90000112.4K65S63-K65 PolarHBondContact O-N 3.28Å
64M89.9Confident92.3Very high106 Ų10673.2 Ų73.252%0.52238%0.375SS..  trans-75.5118.9175.3-63.4-174.382.600110.4F60 S62 L67F60-M64 WeakPolarHBondContact CE2-O 3.24Å; S62-M64 VanDerWaalsContact C-N 3.28Å; M64-L67 HydrophobicContact CE-CD2 4.44Å; M64-L67 HydrophobicContact SD-CD2 4.32Å
65K90.3Very high91.9Very high165 Ų16570.6 Ų70.672%0.71738%0.384SS*.SBendtrans-81.5-22.4178.4-65.8-176.1179.9178.50113.8S63 W105 S106S63-K65 PolarHBondContact O-N 3.28Å; K65-W105 WeakPolarHBondContact O-CA 3.05Å; K65-S106 PolarHBondContact O-N 2.91Å
66L93.8Very high91.8Very high49 Ų4976 Ų7626%0.25741%0.407SS..EExtended strand (participates in β ladder)trans-139.7129.7-173.4178.162000110.3M68 R103 W105L66-M68 HydrophobicContact CD2-CE 3.66Å; L66-M68 HydrophobicContact CD2-CG 4.29Å; L66-M68 HydrophobicContact CG-CG 4.3Å; L66-R103 HydrophobicContact CD1-CB 4.08Å; L66-W105 HydrophobicContact CD1-CD2 3.73Å; L66-W105 HydrophobicContact CD1-CE3 4.12Å; L66-W105 HydrophobicContact CD1-CG 4.07Å; L66-W105 HydrophobicContact CD1-CH2 4.45Å; L66-W105 HydrophobicContact CD1-CZ2 4.08Å; L66-W105 HydrophobicContact CD1-CZ3 4.46Å
67L92.6Very high91.8Very high19 Ų1974.1 Ų74.110%0.09939%0.393CS..EExtended strand (participates in β ladder)trans-105.7117169.7-60.9175.3000108.6I1 L2 F60 M64 L69 R103 L104I1-L67 HydrophobicContact CG2-CD1 4.15Å; L2-L67 HydrophobicContact CD2-CD1 4.11Å; F60-L67 HydrophobicContact CD1-CD1 4.42Å; F60-L67 HydrophobicContact CE1-CD1 3.84Å; F60-L67 HydrophobicContact CE1-CG 4.22Å; F60-L67 HydrophobicContact CE2-CD1 4.18Å; F60-L67 HydrophobicContact CE2-CG 4.26Å; F60-L67 HydrophobicContact CZ-CD1 3.71Å; F60-L67 HydrophobicContact CZ-CG 3.7Å; M64-L67 HydrophobicContact CE-CD2 4.44Å; M64-L67 HydrophobicContact SD-CD2 4.32Å; L67-L69 HydrophobicContact CB-CD1 4.44Å; L67-L69 HydrophobicContact CB-CD2 4.39Å; L67-L69 HydrophobicContact CB-CG 4.23Å; L67-R103 WeakPolarHBondContact O-CA 3.39Å; L67-L104 HydrophobicContact CB-CB 4.42Å; L67-L104 HydrophobicContact CD1-CD2 4.36Å; L67-L104 PolarHBondContact N-O 3.01Å; L67-L104 PolarHBondContact O-N 2.71Å
68M92.9Very high91.9Very high129 Ų12970.5 Ų70.564%0.63538%0.38SS*.EExtended strand (participates in β ladder)trans-92.6114.9171.2-59.6-173.4-172.900108.1L66L66-M68 HydrophobicContact CD2-CE 3.66Å; L66-M68 HydrophobicContact CD2-CG 4.29Å; L66-M68 HydrophobicContact CG-CG 4.3Å
69L91Very high92Very high22 Ų2272.3 Ų72.312%0.11539%0.389CS..EExtended strand (participates in β ladder)trans-120.7148.4-170.4-59.5170.1000110.6L2 L67 M73 L102 L104L2-L69 HydrophobicContact CD1-CD2 3.89Å; L2-L69 HydrophobicContact CD2-CD1 4.07Å; L2-L69 HydrophobicContact CD2-CD2 4.13Å; L67-L69 HydrophobicContact CB-CD1 4.44Å; L67-L69 HydrophobicContact CB-CD2 4.39Å; L67-L69 HydrophobicContact CB-CG 4.23Å; L69-M73 HydrophobicContact CB-CB 4.35Å; L69-M73 HydrophobicContact CB-CG 4.22Å; L69-M73 HydrophobicContact CD1-CB 4.33Å; L69-M73 HydrophobicContact CD1-CG 4.13Å; L69-M73 HydrophobicContact CD2-CG 4.37Å; L69-M73 HydrophobicContact CG-CG 4.47Å; L69-L102 HydrophobicContact CB-CB 4.2Å; L69-L102 HydrophobicContact CB-CD2 4.37Å; L69-L102 HydrophobicContact CD1-CD2 4.04Å; L69-L102 PolarHBondContact N-O 3.26Å; L69-L102 PolarHBondContact O-N 3Å; L69-L102 VanDerWaalsContact O-O 3.13Å; L69-L104 HydrophobicContact CD1-CB 4.5Å
70N89.4Confident92.1Very high123 Ų12366.7 Ų66.766%0.65837%0.365SS*.  trans-82174.9175.4-67.24.2000111.4N72 M73N70-N72 PolarHBondContact O-N 2.81Å; N70-N72 VanDerWaalsContact O-N 3.08Å; N70-M73 PolarHBondContact O-N 3.06Å
71S89.9Confident92.2Very high21 Ų2168 Ų6815%0.14737%0.373CS..G310 helixtrans-55.7-24.5179.157.20000115M73 V74S71-M73 PolarHBondContact O-N 3.33Å; S71-M73 VanDerWaalsContact O-N 3.11Å; S71-V74 VanDerWaalsContact O-CB 3.32Å; S71-V74 WeakPolarHBondContact O-CB 3.12Å; S71-V74 WeakPolarHBondContact O-CG2 3.43Å; S71-V74 PolarHBondContact O-N 3.33Å
72N88.6Confident92.4Very high134 Ų13461.2 Ų61.272%0.71734%0.338SS*.G310 helixtrans-57.9-25.6178.3-67.6-18.4000114.3N70N70-N72 PolarHBondContact O-N 2.81Å; N70-N72 VanDerWaalsContact O-N 3.08Å
73M91Very high92.7Very high24 Ų2462.4 Ų62.412%0.11834%0.337CS..G310 helixtrans-84.9-20.3178.5-72.2-62.8-58.400113.2L2 L6 L69 N70 S71 G75 K76 L102L2-M73 HydrophobicContact CD2-CE 4.09Å; L6-M73 HydrophobicContact CD1-CE 3.94Å; L6-M73 HydrophobicContact CD1-SD 4.47Å; L6-M73 HydrophobicContact CD2-CE 4.1Å; L6-M73 HydrophobicContact CG-CE 4.26Å; L69-M73 HydrophobicContact CB-CB 4.35Å; L69-M73 HydrophobicContact CB-CG 4.22Å; L69-M73 HydrophobicContact CD1-CB 4.33Å; L69-M73 HydrophobicContact CD1-CG 4.13Å; L69-M73 HydrophobicContact CD2-CG 4.37Å; L69-M73 HydrophobicContact CG-CG 4.47Å; N70-M73 PolarHBondContact O-N 3.06Å; S71-M73 PolarHBondContact O-N 3.33Å; S71-M73 VanDerWaalsContact O-N 3.11Å; M73-G75 VanDerWaalsContact C-N 3.3Å; M73-G75 PolarHBondContact O-N 3.02Å; M73-K76 PolarHBondContact O-N 3.11Å; M73-K76 HydrophobicContact SD-CD 4.34Å; M73-L102 HydrophobicContact CB-CD2 3.78Å
74V90.3Very high93.1Very high9 Ų957.4 Ų57.46%0.05530%0.301CS..G310 helixtrans-61.7-38.1-174.5178.10000111.4S71 K76 I79 R100 L102 Y112S71-V74 VanDerWaalsContact O-CB 3.32Å; S71-V74 WeakPolarHBondContact O-CB 3.12Å; S71-V74 WeakPolarHBondContact O-CG2 3.43Å; S71-V74 PolarHBondContact O-N 3.33Å; V74-K76 VanDerWaalsContact C-N 3.26Å; V74-K76 PolarHBondContact O-N 3.19Å; V74-I79 HydrophobicContact CG1-CD1 3.96Å; V74-I79 HydrophobicContact CG1-CG1 3.88Å; V74-R100 HydrophobicContact CG2-CB 4.43Å; V74-L102 HydrophobicContact CG2-CB 4.35Å; V74-Y112 HydrophobicContact CG1-CD2 4.43Å; V74-Y112 HydrophobicContact CG1-CE2 3.72Å; V74-Y112 HydrophobicContact CG2-CD2 4.24Å; V74-Y112 HydrophobicContact CG2-CE2 3.89Å
75G89.3Confident93.3Very high61 Ų6156.8 Ų56.863%0.62929%0.293SS*.G310 helixtrans-74.5-9178.200000115.2N11 M73N11-G75 PolarHBondContact ND2-O 3.05Å; M73-G75 VanDerWaalsContact C-N 3.3Å; M73-G75 PolarHBondContact O-N 3.02Å
76K93.3Very high93.6Very high115 Ų11549.9 Ų49.950%0.526%0.264SS..G310 helixtrans-101.6-14.1-177.2-60.9-173.2-179.3-177.90113.5L6 M73 V74L6-K76 HydrophobicContact CD1-CD 3.79Å; L6-K76 HydrophobicContact CD2-CB 3.94Å; M73-K76 PolarHBondContact O-N 3.11Å; M73-K76 HydrophobicContact SD-CD 4.34Å; V74-K76 VanDerWaalsContact C-N 3.26Å; V74-K76 PolarHBondContact O-N 3.19Å
77I95.3Very high93.7Very high11 Ų1149.1 Ų49.16%0.05626%0.263CS..SBendtrans-109.5166.3178.261.9163.7000110.2Y9 L58 I79 L102 V110Y9-I77 HydrophobicContact CE1-CB 4.34Å; L58-I77 HydrophobicContact CD1-CG2 4.14Å; L58-I77 HydrophobicContact CD2-CG2 4.33Å; I77-I79 HydrophobicContact CD1-CD1 3.74Å; I77-I79 HydrophobicContact CG1-CD1 3.81Å; I77-I79 HydrophobicContact CG1-CG1 4.33Å; I77-L102 HydrophobicContact CD1-CD1 3.64Å; I77-L102 HydrophobicContact CD1-CD2 3.61Å; I77-L102 HydrophobicContact CD1-CG 4.27Å; I77-L102 HydrophobicContact CG1-CD2 4.44Å; I77-V110 HydrophobicContact CD1-CG1 4.27Å
78W96.6Very high93.8Very high7 Ų754.4 Ų54.43%0.02728%0.282CS..  trans-74.1132.8172177.288.5000108.8Y9 R14 P15 T22 I24 W53 P80 Y145 I150Y9-W78 WeakPolarHBondContact OH-CB 3.25Å; Y9-W78 PolarHBondContact OH-N 3.33Å; R14-W78 HydrophobicContact CB-CD2 4.35Å; R14-W78 HydrophobicContact CB-CH2 4.46Å; R14-W78 HydrophobicContact CB-CZ2 3.69Å; P15-W78 HydrophobicContact CG-CD2 4.45Å; P15-W78 HydrophobicContact CG-CE3 3.87Å; P15-W78 HydrophobicContact CG-CZ3 4.13Å; T22-W78 HydrophobicContact CG2-CH2 4.23Å; T22-W78 HydrophobicContact CG2-CZ3 4.25Å; I24-W78 HydrophobicContact CD1-CH2 4.47Å; W53-W78 HydrophobicContact CG-CZ3 4.47Å; W53-W78 WeakPolarHBondContact CZ2-O 3.43Å; W53-W78 AromaticContact NE1-CE3 3.9Å; W53-W78 AromaticContact NE1-CZ3 3.98Å; W78-P80 HydrophobicContact CH2-CB 3.9Å; W78-P80 HydrophobicContact CZ2-CB 4.44Å; W78-P80 HydrophobicContact CZ3-CB 4.29Å; W78-Y145 HydrophobicContact CZ2-CE2 4.04Å; W78-Y145 AromaticContact NE1-CZ 3.91Å; W78-Y145 PolarHBondContact NE1-OH 2.77Å; W78-I150 HydrophobicContact CH2-CD1 3.83Å; W78-I150 HydrophobicContact CZ2-CD1 3.82Å
79I96.4Very high93.8Very high43 Ų4353.7 Ų53.722%0.22128%0.275CS..  trans-125.7134.3177.9-59.9-64.6000107W53 V74 I77 Y112W53-I79 HydrophobicContact CH2-CD1 3.86Å; W53-I79 HydrophobicContact CZ2-CD1 4.19Å; V74-I79 HydrophobicContact CG1-CD1 3.96Å; V74-I79 HydrophobicContact CG1-CG1 3.88Å; I77-I79 HydrophobicContact CD1-CD1 3.74Å; I77-I79 HydrophobicContact CG1-CD1 3.81Å; I77-I79 HydrophobicContact CG1-CG1 4.33Å; I79-Y112 HydrophobicContact CD1-CG 4.4Å; I79-Y112 HydrophobicContact CG2-CD1 4.12Å; I79-Y112 HydrophobicContact CG2-CE1 3.86Å
80P96.9Very high94Very high8 Ų855.5 Ų55.55%0.05229%0.29CS..  trans-63.2142.9176.827.9-36.6000111.7I24 W53 W78 T82I24-P80 HydrophobicContact CD1-CB 3.39Å; I24-P80 HydrophobicContact CD1-CG 3.86Å; W53-P80 HydrophobicContact CZ3-CG 4.31Å; W78-P80 HydrophobicContact CH2-CB 3.9Å; W78-P80 HydrophobicContact CZ2-CB 4.44Å; W78-P80 HydrophobicContact CZ3-CB 4.29Å; P80-T82 PolarHBondContact O-N 3.38Å
81D95.8Very high94.2Very high49 Ų4952.2 Ų52.226%0.26227%0.272SS..  trans-83.748.4-177.865.3-13.2000112.3F83 S142 Y143 G144 Y145D81-F83 PolarHBondContact O-N 3.31Å; D81-S142 VanDerWaalsContact OD1-CB 3.31Å; D81-S142 WeakPolarHBondContact OD1-CB 3.36Å; D81-Y143 PolarHBondContact O-N 2.76Å; D81-Y143 PolarHBondContact OD1-N 2.95Å; D81-Y143 PolarHBondContact OD2-N 3.34Å; D81-G144 WeakPolarHBondContact OD2-CA 3.41Å; D81-G144 PolarHBondContact OD2-N 2.72Å; D81-Y145 VanDerWaalsContact OD1-CD2 3.28Å; D81-Y145 WeakPolarHBondContact OD1-CD2 3.44Å
82T97.1Very high94.4Very high30 Ų3052.3 Ų52.318%0.18427%0.274CS..EExtended strand (participates in β ladder)trans-70.5124.1-178.3-50.30000110.8F49 Q51 P80 F140 S141 Y152F49-T82 HydrophobicContact CE1-CG2 3.87Å; F49-T82 HydrophobicContact CZ-CG2 3.89Å; Q51-T82 PolarHBondContact NE2-OG1 2.99Å; P80-T82 PolarHBondContact O-N 3.38Å; T82-F140 HydrophobicContact CG2-CB 4.14Å; T82-F140 HydrophobicContact CG2-CD2 3.83Å; T82-F140 HydrophobicContact CG2-CG 4.38Å; T82-S141 WeakPolarHBondContact CA-O 3.37Å; T82-Y152 HydrophobicContact CG2-CE1 4.3Å; T82-Y152 PolarHBondContact OG1-OH 2.92Å
83F96.8Very high94.7Very high68 Ų6848.3 Ų48.330%0.29825%0.251SS..EExtended strand (participates in β ladder)trans-126154.7176.882-73.3000110.6D81 R85 F140 S141 S142 Y143D81-F83 PolarHBondContact O-N 3.31Å; F83-R85 HydrophobicContact CE1-CG 4.43Å; F83-R85 HydrophobicContact CE2-CB 4.28Å; F83-R85 HydrophobicContact CE2-CG 3.9Å; F83-R85 HydrophobicContact CZ-CG 3.8Å; F83-F140 VanDerWaalsContact O-CA 3.23Å; F83-F140 WeakPolarHBondContact O-CA 3.31Å; F83-F140 WeakPolarHBondContact O-CB 3.45Å; F83-S141 VanDerWaalsContact CD1-O 3.3Å; F83-S141 WeakPolarHBondContact CD1-O 3.37Å; F83-S141 VanDerWaalsContact CE1-OG 3.27Å; F83-S141 WeakPolarHBondContact CE1-OG 3.23Å; F83-S141 PolarHBondContact N-O 2.86Å; F83-S141 PolarHBondContact O-N 3.5Å; F83-S141 VanDerWaalsContact O-N 3.13Å; F83-S142 WeakPolarHBondContact CE1-O 3.3Å; F83-Y143 AromaticContact CD1-CD2 3.94Å; F83-Y143 HydrophobicContact CD1-CD2 3.94Å; F83-Y143 HydrophobicContact CD1-CG 4.31Å; F83-Y143 HydrophobicContact CD2-CD2 4.37Å; F83-Y143 AromaticContact CE1-CD2 3.86Å; F83-Y143 HydrophobicContact CE1-CD2 3.86Å; F83-Y143 HydrophobicContact CE1-CG 4.39Å; F83-Y143 HydrophobicContact CE2-CD2 4.29Å; F83-Y143 HydrophobicContact CG-CD2 4.2Å; F83-Y143 HydrophobicContact CZ-CD2 4.03Å
84F97.6Very high94.7Very high13 Ų1354.9 Ų54.96%0.05727%0.274CS..EExtended strand (participates in β ladder)trans-92.5115.3177.1-69-88.6000109.6I47 F49 S87 L116 I118 L138 E139 F140I47-F84 HydrophobicContact CD1-CE1 4.15Å; I47-F84 HydrophobicContact CD1-CZ 3.82Å; F49-F84 HydrophobicContact CD2-CZ 4.16Å; F49-F84 HydrophobicContact CE2-CZ 4.38Å; F49-F84 HydrophobicContact CG-CZ 4.39Å; F84-S87 PolarHBondContact O-N 3.02Å; F84-S87 PolarHBondContact O-OG 3.11Å; F84-L116 HydrophobicContact CD2-CD1 4.48Å; F84-L116 HydrophobicContact CE2-CD1 3.52Å; F84-L116 HydrophobicContact CZ-CD1 4.14Å; F84-I118 HydrophobicContact CD1-CD1 3.75Å; F84-I118 HydrophobicContact CD2-CD1 3.64Å; F84-I118 HydrophobicContact CD2-CG1 4.5Å; F84-I118 HydrophobicContact CE1-CD1 3.62Å; F84-I118 HydrophobicContact CE2-CD1 3.53Å; F84-I118 HydrophobicContact CG-CD1 3.76Å; F84-I118 HydrophobicContact CZ-CD1 3.51Å; F84-L138 HydrophobicContact CD1-CD1 3.65Å; F84-L138 HydrophobicContact CD1-CD2 4.45Å; F84-L138 HydrophobicContact CD1-CG 3.96Å; F84-L138 HydrophobicContact CE1-CD1 4.08Å; F84-L138 HydrophobicContact CE1-CD2 4.05Å; F84-L138 HydrophobicContact CE1-CG 4.02Å; F84-E139 CarbonylContact C-O 3.48Å; F84-E139 VanDerWaalsContact CA-O 3.24Å; F84-E139 WeakPolarHBondContact CA-O 3.24Å; F84-F140 HydrophobicContact CD1-CB 3.83Å; F84-F140 HydrophobicContact CD1-CD1 4.44Å; F84-F140 HydrophobicContact CE1-CB 3.97Å; F84-F140 AromaticContact CE1-CD1 3.99Å; F84-F140 HydrophobicContact CE1-CD1 3.99Å; F84-F140 HydrophobicContact CE1-CG 4.26Å; F84-F140 HydrophobicContact CG-CB 4.36Å
85R95.1Very high94.8Very high92 Ų9261 Ų6135%0.34731%0.305SS..THydrogen-bonded Turntrans-68.6-41.3-168.7-56.7-177.682.4-134.110.1112.3F83 S87 E139F83-R85 HydrophobicContact CE1-CG 4.43Å; F83-R85 HydrophobicContact CE2-CB 4.28Å; F83-R85 HydrophobicContact CE2-CG 3.9Å; F83-R85 HydrophobicContact CZ-CG 3.8Å; R85-S87 VanDerWaalsContact C-N 3.31Å; R85-E139 HydrophobicContact CB-CB 4.14Å; R85-E139 HydrophobicContact CG-CB 4.48Å; R85-E139 PolarHBondContact N-O 2.91Å; R85-E139 IonicContact NH1-OE2 2.73Å
86N96.2Very high94.8Very high20 Ų2064.5 Ų64.511%0.10732%0.315CS..THydrogen-bonded Turntrans-93.819.5178.771.5-43000112.8A120 E121 P137 E139N86-A120 CarbonylContact O-C 3.57Å; N86-A120 WeakPolarHBondContact O-CA 3.1Å; N86-E121 PolarHBondContact ND2-O 3.31Å; N86-E121 PolarHBondContact O-N 2.69Å; N86-P137 PolarHBondContact ND2-O 2.72Å; N86-E139 PolarHBondContact OD1-N 2.63Å
87S96.2Very high94.7Very high34 Ų3463 Ų6324%0.23832%0.316CS..EExtended strand (participates in β ladder)trans-85.5125.9175.768.70000111.2F84 R85F84-S87 PolarHBondContact O-N 3.02Å; F84-S87 PolarHBondContact O-OG 3.11Å; R85-S87 VanDerWaalsContact C-N 3.31Å
88R93.2Very high94.6Very high130 Ų13065.2 Ų65.249%0.49133%0.33SS..EExtended strand (participates in β ladder)trans-82.8-38168.4-73.8-168.9174.6168.35.2111.5N40 E42 N119 E121N40-R88 PolarHBondContact O-NH1 3.35Å; E42-R88 IonicContact OE2-NH1 3.72Å; R88-N119 PolarHBondContact N-O 2.91Å; R88-E121 IonicContact CZ-OE1 2.99Å; R88-E121 IonicContact NE-OE2 3.91Å; R88-E121 IonicContact NH2-OE1 3.88Å; R88-E121 PolarHBondContact NH2-OE1 2.7Å
89K93.8Very high94.4Very high113 Ų11367.6 Ų67.649%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-142135.8175.6-164.7-175.3-175.4-138.20109.2D91 N119K89-D91 VanDerWaalsContact CE-OD2 3.28Å; K89-D91 WeakPolarHBondContact CE-OD2 3.43Å; K89-D91 IonicContact NZ-OD1 3.56Å; K89-D91 IonicContact NZ-OD2 3.65Å; K89-D91 PolarHBondContact NZ-OD2 3.3Å; K89-N119 HydrophobicContact CB-CB 4.19Å; K89-N119 PolarHBondContact O-N 3.47Å
90S94.6Very high94.2Very high61 Ų6170.6 Ų70.643%0.42735%0.352SS..EExtended strand (participates in β ladder)trans-136.5126.1172.951.40000109.5T117S90-T117 WeakPolarHBondContact CA-O 3.28Å
91D94.8Very high94Very high53 Ų5373.3 Ų73.328%0.28337%0.366SS..EExtended strand (participates in β ladder)trans-118.3127.3-177.3-68-44.3000109.2K89 T117K89-D91 VanDerWaalsContact CE-OD2 3.28Å; K89-D91 WeakPolarHBondContact CE-OD2 3.43Å; K89-D91 IonicContact NZ-OD1 3.56Å; K89-D91 IonicContact NZ-OD2 3.65Å; K89-D91 PolarHBondContact NZ-OD2 3.3Å; D91-T117 PolarHBondContact N-O 3.11Å; D91-T117 PolarHBondContact O-N 2.97Å
92A94.3Very high93.9Very high23 Ų2371.2 Ų71.219%0.1936%0.355CS..EExtended strand (participates in β ladder)trans-82.9158.7167.900000110.2W94 L116A92-W94 HydrophobicContact CB-CE3 4.25Å; A92-W94 HydrophobicContact CB-CZ3 3.95Å; A92-W94 WeakPolarHBondContact O-CH2 3.34Å; A92-W94 WeakPolarHBondContact O-CZ3 3.47Å; A92-L116 HydrophobicContact CB-CD2 4Å
93H93.8Very high93.9Very high51 Ų5173.8 Ų73.824%0.23636%0.361CS..  trans-98.4129.9180-68.2-112000111.4N99 R115 T117H93-N99 HydrophobicContact CB-CB 4.01Å; H93-N99 VanDerWaalsContact CB-ND2 3.28Å; H93-N99 WeakPolarHBondContact CB-ND2 3.37Å; H93-N99 PolarHBondContact O-N 3.04Å; H93-R115 HydrophobicContact CB-CB 4.45Å; H93-T117 PolarHBondContact CE1-OG1 2.86Å; H93-T117 PolarHBondContact NE2-OG1 2.68Å
94W92.4Very high93.8Very high161 Ų16170.9 Ų70.961%0.6135%0.349SS*.  trans-120.50.4-174.429.877000115.6A92 T96 T97A92-W94 HydrophobicContact CB-CE3 4.25Å; A92-W94 HydrophobicContact CB-CZ3 3.95Å; A92-W94 WeakPolarHBondContact O-CH2 3.34Å; A92-W94 WeakPolarHBondContact O-CZ3 3.47Å; W94-T96 CarbonylContact O-C 3.57Å; W94-T97 CarbonylContact C-O 3.56Å; W94-T97 CarbonylContact O-C 3.5Å; W94-T97 WeakPolarHBondContact O-CA 3.32Å; W94-T97 PolarHBondContact O-N 2.89Å
95I90.8Very high93.8Very high137 Ų13773.4 Ų73.470%0.70336%0.358SS*.SBendtrans-106.2134-177-58.3176000110.4T97I95-T97 VanDerWaalsContact C-N 3.32Å
96T89.9Confident93.8Very high136 Ų13671 Ų7183%0.83436%0.355SS*.SBendcis-76.9-16.3-10.551.80000113W94W94-T96 CarbonylContact O-C 3.57Å
97T91.5Very high93.7Very high84 Ų8473.4 Ų73.452%0.51537%0.368SS..SBendtrans-132.9166.5172.158.40000108.9W94 I95 N99W94-T97 CarbonylContact C-O 3.56Å; W94-T97 CarbonylContact O-C 3.5Å; W94-T97 WeakPolarHBondContact O-CA 3.32Å; W94-T97 PolarHBondContact O-N 2.89Å; I95-T97 VanDerWaalsContact C-N 3.32Å; T97-N99 PolarHBondContact O-N 2.78Å; T97-N99 VanDerWaalsContact O-N 3.08Å; T97-N99 PolarHBondContact O-OD1 2.77Å
98P92.1Very high93.6Very high56 Ų5671.8 Ų71.836%0.36436%0.357SS..  trans-56.1117.5173.9-25.235000111.3R100P98-R100 PolarHBondContact O-N 3.12Å
99N92.3Very high93.7Very high57 Ų5769.2 Ų69.231%0.30535%0.347SS..  trans-76.168.8-176.5-70.4-21.7000110.6H93 T97 L114 R115H93-N99 HydrophobicContact CB-CB 4.01Å; H93-N99 VanDerWaalsContact CB-ND2 3.28Å; H93-N99 WeakPolarHBondContact CB-ND2 3.37Å; H93-N99 PolarHBondContact O-N 3.04Å; T97-N99 PolarHBondContact O-N 2.78Å; T97-N99 VanDerWaalsContact O-N 3.08Å; T97-N99 PolarHBondContact O-OD1 2.77Å; N99-L114 WeakPolarHBondContact O-CA 3.49Å; N99-R115 HydrophobicContact CB-CB 4.27Å; N99-R115 PolarHBondContact O-N 2.83Å
100R93.4Very high93.9Very high107 Ų10763.9 Ų63.940%0.40432%0.324SS..EExtended strand (participates in β ladder)trans-131.5132.4-179.9-61.5177.4-175.8169-0.2108.8V74 P98 Y112 T113 L114V74-R100 HydrophobicContact CG2-CB 4.43Å; P98-R100 PolarHBondContact O-N 3.12Å; R100-Y112 HydrophobicContact CB-CE2 4.12Å; R100-Y112 HydrophobicContact CG-CE2 4.35Å; R100-T113 CarbonylContact C-O 3.58Å; R100-T113 WeakPolarHBondContact CA-O 3.33Å; R100-L114 HydrophobicContact CG-CB 4.07Å
101L91.9Very high93.9Very high65 Ų6562.9 Ų62.934%0.3431%0.313SS..EExtended strand (participates in β ladder)trans-117.8134.7179.3179.173.8000108.8R103 Y112 T113L101-R103 HydrophobicContact CG-CG 4.46Å; L101-Y112 WeakPolarHBondContact O-CA 3.23Å; L101-T113 PolarHBondContact N-O 2.88Å; L101-T113 PolarHBondContact O-N 3.33Å
102L95.2Very high94Very high4 Ų461 Ų612%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-124.9127.3173.5-174.471.3000109.9L69 M73 V74 I77 V110 M111L69-L102 HydrophobicContact CB-CB 4.2Å; L69-L102 HydrophobicContact CB-CD2 4.37Å; L69-L102 HydrophobicContact CD1-CD2 4.04Å; L69-L102 PolarHBondContact N-O 3.26Å; L69-L102 PolarHBondContact O-N 3Å; L69-L102 VanDerWaalsContact O-O 3.13Å; M73-L102 HydrophobicContact CB-CD2 3.78Å; V74-L102 HydrophobicContact CG2-CB 4.35Å; I77-L102 HydrophobicContact CD1-CD1 3.64Å; I77-L102 HydrophobicContact CD1-CD2 3.61Å; I77-L102 HydrophobicContact CD1-CG 4.27Å; I77-L102 HydrophobicContact CG1-CD2 4.44Å; L102-V110 HydrophobicContact CD1-CG1 3.55Å; L102-M111 WeakPolarHBondContact CA-O 3.31Å
103R95.3Very high94.1Very high85 Ų8560.9 Ų60.932%0.32130%0.299SS..EExtended strand (participates in β ladder)trans-123.3125.1175.7-73.3-179.9-179.4174.31.5109.2L66 L67 L101 W105 M111L66-R103 HydrophobicContact CD1-CB 4.08Å; L67-R103 WeakPolarHBondContact O-CA 3.39Å; L101-R103 HydrophobicContact CG-CG 4.46Å; R103-W105 HydrophobicContact CB-CH2 3.95Å; R103-W105 HydrophobicContact CB-CZ3 3.78Å; R103-W105 WeakPolarHBondContact O-CZ3 3.37Å; R103-M111 HydrophobicContact CB-CB 4.21Å; R103-M111 PolarHBondContact N-O 3.21Å; R103-M111 PolarHBondContact O-N 3.21Å
104L95.8Very high94.2Very high7 Ų759.4 Ų59.44%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-119.7121.5-179178.268.8000109.9L5 L58 F60 L67 L69 V110L5-L104 HydrophobicContact CD1-CD2 3.79Å; L58-L104 HydrophobicContact CB-CD1 3.74Å; L58-L104 HydrophobicContact CB-CD2 4.29Å; L58-L104 HydrophobicContact CD1-CD1 4.21Å; F60-L104 HydrophobicContact CD1-CD2 4.29Å; F60-L104 HydrophobicContact CE1-CD2 4.06Å; F60-L104 HydrophobicContact CE1-CG 4.04Å; L67-L104 HydrophobicContact CB-CB 4.42Å; L67-L104 HydrophobicContact CD1-CD2 4.36Å; L67-L104 PolarHBondContact N-O 3.01Å; L67-L104 PolarHBondContact O-N 2.71Å; L69-L104 HydrophobicContact CD1-CB 4.5Å; L104-V110 HydrophobicContact CD1-CG2 3.77Å
105W96.6Very high94.4Very high65 Ų6555.5 Ų55.525%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-91.3154.8174.5-73.2-101.9000111.2K65 L66 R103 N107 G108 R109 M111K65-W105 WeakPolarHBondContact O-CA 3.05Å; L66-W105 HydrophobicContact CD1-CD2 3.73Å; L66-W105 HydrophobicContact CD1-CE3 4.12Å; L66-W105 HydrophobicContact CD1-CG 4.07Å; L66-W105 HydrophobicContact CD1-CH2 4.45Å; L66-W105 HydrophobicContact CD1-CZ2 4.08Å; L66-W105 HydrophobicContact CD1-CZ3 4.46Å; R103-W105 HydrophobicContact CB-CH2 3.95Å; R103-W105 HydrophobicContact CB-CZ3 3.78Å; R103-W105 WeakPolarHBondContact O-CZ3 3.37Å; W105-N107 WeakPolarHBondContact CB-OD1 3.2Å; W105-N107 PolarHBondContact O-N 2.85Å; W105-N107 VanDerWaalsContact O-N 3.13Å; W105-G108 PolarHBondContact O-N 3.21Å; W105-R109 HydrophobicContact CB-CB 4.15Å; W105-R109 HydrophobicContact CD2-CB 4.44Å; W105-R109 HydrophobicContact CE3-CB 4.11Å; W105-R109 HydrophobicContact CE3-CG 4.05Å; W105-R109 HydrophobicContact CZ3-CG 4.44Å; W105-R109 PolarHBondContact N-O 3.15Å; W105-M111 HydrophobicContact CH2-CB 3.76Å; W105-M111 HydrophobicContact CH2-SD 3.91Å; W105-M111 HydrophobicContact CZ3-CB 3.45Å; W105-M111 VanDerWaalsContact CZ3-CB 3.45Å
106S94.8Very high94.7Very high42 Ų4249.9 Ų49.929%0.29425%0.249SC..THydrogen-bonded Turntrans-58.4-26.5179.357.90000114.2F60 K65 G108F60-S106 VanDerWaalsContact CE1-CA 3.5Å; F60-S106 PolarHBondContact N-O 2.81Å; F60-S106 WeakPolarHBondContact O-CB 3.44Å; K65-S106 PolarHBondContact O-N 2.91Å; S106-G108 PolarHBondContact O-N 3.46Å
107N94.6Very high95Very high71 Ų7145.3 Ų45.338%0.3822%0.221SC..THydrogen-bonded Turntrans-780.2177.170.1-11.9000114.4K59 W105 R109K59-N107 WeakPolarHBondContact CE-O 3.3Å; W105-N107 WeakPolarHBondContact CB-OD1 3.2Å; W105-N107 PolarHBondContact O-N 2.85Å; W105-N107 VanDerWaalsContact O-N 3.13Å; N107-R109 VanDerWaalsContact OD1-CB 3.25Å; N107-R109 WeakPolarHBondContact OD1-CB 3.38Å; N107-R109 PolarHBondContact OD1-N 3.28Å
108G94.4Very high95.3Very high0 Ų041.3 Ų41.30%020%0.196CC..SBendtrans86.57.4-17800000114.1D55 W105 S106D55-G108 PolarHBondContact N-O 3.06Å; D55-G108 WeakPolarHBondContact O-CA 3.5Å; W105-G108 PolarHBondContact O-N 3.21Å; S106-G108 PolarHBondContact O-N 3.46Å
109R96.4Very high95.5Very high75 Ų7540.4 Ų40.428%0.28319%0.189SC..EExtended strand (participates in β ladder)trans-69.4131.7169.3-173.6-177.3-178.1173.45.5109.1E25 T52 W53 Y54 W105 N107E25-R109 IonicContact OE2-NH2 3.72Å; T52-R109 HydrophobicContact CG2-CG 3.76Å; W53-R109 WeakPolarHBondContact O-CA 3.4Å; Y54-R109 HydrophobicContact CD1-CB 4.11Å; Y54-R109 HydrophobicContact CE1-CB 3.72Å; Y54-R109 HydrophobicContact CE1-CG 4.34Å; Y54-R109 HydrophobicContact CE2-CG 4.39Å; W105-R109 HydrophobicContact CB-CB 4.15Å; W105-R109 HydrophobicContact CD2-CB 4.44Å; W105-R109 HydrophobicContact CE3-CB 4.11Å; W105-R109 HydrophobicContact CE3-CG 4.05Å; W105-R109 HydrophobicContact CZ3-CG 4.44Å; W105-R109 PolarHBondContact N-O 3.15Å; N107-R109 VanDerWaalsContact OD1-CB 3.25Å; N107-R109 WeakPolarHBondContact OD1-CB 3.38Å; N107-R109 PolarHBondContact OD1-N 3.28Å
110V96.8Very high95.7Very high1 Ų137.7 Ų37.71%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-116.1131175.7-172.10000108.1T52 W53 D55 L58 I77 L102 L104T52-V110 WeakPolarHBondContact CA-O 3.45Å; W53-V110 HydrophobicContact CD2-CB 4.1Å; W53-V110 HydrophobicContact CH2-CB 4.36Å; W53-V110 HydrophobicContact CH2-CG1 3.76Å; W53-V110 HydrophobicContact CZ2-CB 3.87Å; W53-V110 HydrophobicContact CZ2-CG1 3.52Å; W53-V110 HydrophobicContact CZ2-CG2 4.43Å; W53-V110 HydrophobicContact CZ3-CG1 4.36Å; W53-V110 PolarHBondContact N-O 3.34Å; W53-V110 PolarHBondContact O-N 3.02Å; D55-V110 HydrophobicContact CB-CG2 4.33Å; L58-V110 HydrophobicContact CD1-CG2 3.85Å; I77-V110 HydrophobicContact CD1-CG1 4.27Å; L102-V110 HydrophobicContact CD1-CG1 3.55Å; L104-V110 HydrophobicContact CD1-CG2 3.77Å
111M96.1Very high95.8Very high41 Ų4134.5 Ų34.520%0.20216%0.164CC..EExtended strand (participates in β ladder)trans-117.9122.1168.1173.6-171.3151.400108.2Q51 L102 R103 W105 T113Q51-M111 CarbonylContact O-C 3.5Å; Q51-M111 WeakPolarHBondContact O-CA 3.07Å; L102-M111 WeakPolarHBondContact CA-O 3.31Å; R103-M111 HydrophobicContact CB-CB 4.21Å; R103-M111 PolarHBondContact N-O 3.21Å; R103-M111 PolarHBondContact O-N 3.21Å; W105-M111 HydrophobicContact CH2-CB 3.76Å; W105-M111 HydrophobicContact CH2-SD 3.91Å; W105-M111 HydrophobicContact CZ3-CB 3.45Å; W105-M111 VanDerWaalsContact CZ3-CB 3.45Å; M111-T113 WeakPolarHBondContact CE-OG1 3.46Å
112Y96.5Very high96Very high12 Ų1231.6 Ų31.65%0.04715%0.149CC..EExtended strand (participates in β ladder)trans-114.4132.8175.9174.2-124.3000108.6A50 Q51 W53 V74 I79 R100 L101 L114A50-Y112 CarbonylContact C-O 3.5Å; A50-Y112 WeakPolarHBondContact CA-O 3.38Å; Q51-Y112 PolarHBondContact N-O 2.84Å; Q51-Y112 PolarHBondContact O-N 2.81Å; W53-Y112 HydrophobicContact CH2-CG 4.46Å; V74-Y112 HydrophobicContact CG1-CD2 4.43Å; V74-Y112 HydrophobicContact CG1-CE2 3.72Å; V74-Y112 HydrophobicContact CG2-CD2 4.24Å; V74-Y112 HydrophobicContact CG2-CE2 3.89Å; I79-Y112 HydrophobicContact CD1-CG 4.4Å; I79-Y112 HydrophobicContact CG2-CD1 4.12Å; I79-Y112 HydrophobicContact CG2-CE1 3.86Å; R100-Y112 HydrophobicContact CB-CE2 4.12Å; R100-Y112 HydrophobicContact CG-CE2 4.35Å; L101-Y112 WeakPolarHBondContact O-CA 3.23Å; Y112-L114 HydrophobicContact CD1-CD2 4.22Å; Y112-L114 HydrophobicContact CE1-CD2 3.62Å
113T95.9Very high95.9Very high21 Ų2139.7 Ų39.713%0.12918%0.18CC..EExtended strand (participates in β ladder)trans-135.5138.6177.6-51.30000109.5F48 F49 A50 R100 L101 M111F48-T113 HydrophobicContact CB-CG2 4.32Å; F49-T113 VanDerWaalsContact O-CA 3.26Å; F49-T113 WeakPolarHBondContact O-CA 3.38Å; F49-T113 WeakPolarHBondContact O-CG2 3.42Å; A50-T113 HydrophobicContact CB-CG2 4.15Å; R100-T113 CarbonylContact C-O 3.58Å; R100-T113 WeakPolarHBondContact CA-O 3.33Å; L101-T113 PolarHBondContact N-O 2.88Å; L101-T113 PolarHBondContact O-N 3.33Å; M111-T113 WeakPolarHBondContact CE-OG1 3.46Å
114L95.9Very high95.7Very high20 Ų2036 Ų3611%0.10517%0.167CC..EExtended strand (participates in β ladder)trans-140.1152.4174.868.7164.2000111.3F48 F49 N99 R100 Y112 L116F48-L114 WeakPolarHBondContact CA-O 3.22Å; F49-L114 HydrophobicContact CB-CD2 4.13Å; F49-L114 HydrophobicContact CD1-CD2 4.03Å; F49-L114 PolarHBondContact N-O 2.83Å; F49-L114 PolarHBondContact O-N 2.91Å; N99-L114 WeakPolarHBondContact O-CA 3.49Å; R100-L114 HydrophobicContact CG-CB 4.07Å; Y112-L114 HydrophobicContact CD1-CD2 4.22Å; Y112-L114 HydrophobicContact CE1-CD2 3.62Å; L114-L116 HydrophobicContact CD1-CD1 4.03Å; L114-L116 HydrophobicContact CD1-CD2 3.67Å; L114-L116 HydrophobicContact CD1-CG 3.88Å; L114-L116 HydrophobicContact CG-CD1 4.18Å; L114-L116 HydrophobicContact CG-CD2 4.31Å; L114-L116 HydrophobicContact CG-CG 4Å
115R96.2Very high95.5Very high79 Ų7943.3 Ų43.330%0.29820%0.198SC..EExtended strand (participates in β ladder)trans-91.5132.1170.5-167.4-178.5178.1178.9-2.3110.3D46 I47 F48 H93 N99D46-R115 IonicContact OD1-CZ 3.21Å; D46-R115 IonicContact OD1-NE 2.7Å; D46-R115 PolarHBondContact OD1-NE 3.03Å; D46-R115 VanDerWaalsContact OD1-NE 3.11Å; D46-R115 IonicContact OD1-NH2 2.69Å; D46-R115 IonicContact OD2-CZ 2.8Å; D46-R115 IonicContact OD2-NE 2.82Å; D46-R115 PolarHBondContact OD2-NE 2.9Å; D46-R115 IonicContact OD2-NH2 3.49Å; D46-R115 PolarHBondContact OD2-NH2 2.94Å; I47-R115 WeakPolarHBondContact O-CA 3.47Å; F48-R115 HydrophobicContact CD1-CB 3.68Å; F48-R115 HydrophobicContact CD1-CG 3.89Å; F48-R115 HydrophobicContact CE1-CB 3.62Å; F48-R115 HydrophobicContact CE1-CG 3.66Å; F48-R115 HydrophobicContact CZ-CG 4.37Å; H93-R115 HydrophobicContact CB-CB 4.45Å; N99-R115 HydrophobicContact CB-CB 4.27Å; N99-R115 PolarHBondContact O-N 2.83Å
116L96.5Very high95.3Very high19 Ų1940.3 Ų40.310%0.09919%0.187CC..EExtended strand (participates in β ladder)trans-132139.6-179.9-65.8173.5000110.5D46 I47 F49 F84 A92 L114 I118D46-L116 WeakPolarHBondContact CA-O 3.37Å; I47-L116 HydrophobicContact CG1-CB 4.17Å; I47-L116 PolarHBondContact N-O 2.79Å; I47-L116 PolarHBondContact O-N 3.13Å; F49-L116 HydrophobicContact CB-CD1 4.29Å; F84-L116 HydrophobicContact CD2-CD1 4.48Å; F84-L116 HydrophobicContact CE2-CD1 3.52Å; F84-L116 HydrophobicContact CZ-CD1 4.14Å; A92-L116 HydrophobicContact CB-CD2 4Å; L114-L116 HydrophobicContact CD1-CD1 4.03Å; L114-L116 HydrophobicContact CD1-CD2 3.67Å; L114-L116 HydrophobicContact CD1-CG 3.88Å; L114-L116 HydrophobicContact CG-CD1 4.18Å; L114-L116 HydrophobicContact CG-CD2 4.31Å; L114-L116 HydrophobicContact CG-CG 4Å; L116-I118 HydrophobicContact CB-CD1 4.28Å; L116-I118 HydrophobicContact CB-CG1 4.14Å
117T96.8Very high95.1Very high40 Ų4042.8 Ų42.825%0.24519%0.194CC..EExtended strand (participates in β ladder)trans-107.9124.8162.5-62.80000108.3I45 S90 D91 H93I45-T117 CarbonylContact O-C 3.57Å; I45-T117 WeakPolarHBondContact O-CA 3.4Å; S90-T117 WeakPolarHBondContact CA-O 3.28Å; D91-T117 PolarHBondContact N-O 3.11Å; D91-T117 PolarHBondContact O-N 2.97Å; H93-T117 PolarHBondContact CE1-OG1 2.86Å; H93-T117 PolarHBondContact NE2-OG1 2.68Å
118I97.1Very high95Very high0 Ų042.7 Ų42.70%019%0.193CC..EExtended strand (participates in β ladder)trans-125.2130.2-172.3-54.2168000108.9T44 I45 I47 F84 L116 A120 L138T44-I118 CarbonylContact C-O 3.45Å; T44-I118 WeakPolarHBondContact CA-O 3.38Å; I45-I118 HydrophobicContact CG2-CB 3.9Å; I45-I118 PolarHBondContact N-O 3.11Å; I45-I118 PolarHBondContact O-N 3.21Å; I47-I118 HydrophobicContact CD1-CD1 3.75Å; I47-I118 HydrophobicContact CG1-CD1 4.31Å; F84-I118 HydrophobicContact CD1-CD1 3.75Å; F84-I118 HydrophobicContact CD2-CD1 3.64Å; F84-I118 HydrophobicContact CD2-CG1 4.5Å; F84-I118 HydrophobicContact CE1-CD1 3.62Å; F84-I118 HydrophobicContact CE2-CD1 3.53Å; F84-I118 HydrophobicContact CG-CD1 3.76Å; F84-I118 HydrophobicContact CZ-CD1 3.51Å; L116-I118 HydrophobicContact CB-CD1 4.28Å; L116-I118 HydrophobicContact CB-CG1 4.14Å; I118-A120 HydrophobicContact CG2-CB 4.26Å; I118-L138 HydrophobicContact CD1-CD1 4.36Å; I118-L138 HydrophobicContact CG2-CD1 4.38Å
119N96.8Very high94.9Very high37 Ų3742.8 Ų42.820%0.19819%0.194CC..EExtended strand (participates in β ladder)trans-95.8100.9164.5-67.516000107Y43 T44 R88 K89Y43-N119 WeakPolarHBondContact O-CA 3.46Å; T44-N119 VanDerWaalsContact CG2-OD1 3.28Å; T44-N119 WeakPolarHBondContact CG2-OD1 3.4Å; R88-N119 PolarHBondContact N-O 2.91Å; K89-N119 HydrophobicContact CB-CB 4.19Å; K89-N119 PolarHBondContact O-N 3.47Å
120A96.9Very high94.8Very high0 Ų039.2 Ų39.20%018%0.18CC..EExtended strand (participates in β ladder)trans-99.4140.7-17700000110.4E42 Y43 N86 I118 L138E42-A120 CarbonylContact C-O 3.5Å; E42-A120 VanDerWaalsContact CA-O 3.25Å; E42-A120 WeakPolarHBondContact CA-O 3.47Å; E42-A120 WeakPolarHBondContact CB-O 3.24Å; Y43-A120 HydrophobicContact CD1-CB 4.15Å; Y43-A120 WeakPolarHBondContact CD1-O 3.39Å; Y43-A120 HydrophobicContact CE1-CB 3.53Å; Y43-A120 HydrophobicContact CE2-CB 4.4Å; Y43-A120 PolarHBondContact N-O 3.08Å; Y43-A120 PolarHBondContact O-N 3.37Å; N86-A120 CarbonylContact O-C 3.57Å; N86-A120 WeakPolarHBondContact O-CA 3.1Å; I118-A120 HydrophobicContact CG2-CB 4.26Å; A120-L138 HydrophobicContact CB-CD1 4.13Å
121E96.2Very high94.6Very high41 Ų4140.9 Ų40.919%0.19219%0.188CC..EExtended strand (participates in β ladder)trans-76.7133.5175-177.6164.5-153.700110.2M41 N86 R88 Y123M41-E121 WeakPolarHBondContact O-CA 3.34Å; N86-E121 PolarHBondContact ND2-O 3.31Å; N86-E121 PolarHBondContact O-N 2.69Å; R88-E121 IonicContact CZ-OE1 2.99Å; R88-E121 IonicContact NE-OE2 3.91Å; R88-E121 IonicContact NH2-OE1 3.88Å; R88-E121 PolarHBondContact NH2-OE1 2.7Å; E121-Y123 HydrophobicContact CG-CE1 4.28Å; E121-Y123 HydrophobicContact CG-CE2 4.42Å; E121-Y123 VanDerWaalsContact OE1-CE1 3.25Å; E121-Y123 WeakPolarHBondContact OE1-CE1 3.38Å; E121-Y123 PolarHBondContact OE1-OH 3.25Å
122C95.5Very high94.4Very high3 Ų339.1 Ų39.12%0.0218%0.18CC..  trans-140.9112176177.20000109.2M41 Y43 L124 C136M41-C122 CarbonylContact C-O 3.55Å; M41-C122 PolarHBondContact O-N 3.16Å; Y43-C122 HydrophobicContact CD1-CB 3.65Å; Y43-C122 HydrophobicContact CE1-CB 3.91Å; C122-L124 PolarHBondContact O-N 3.41Å; C122-L124 VanDerWaalsContact O-N 3.14Å; C122-C136 HydrophobicContact CB-CB 3.72Å; C122-C136 WeakPolarHBondContact CB-SG 3.41Å; C122-C136 WeakPolarHBondContact SG-CA 3.42Å; C122-C136 WeakPolarHBondContact SG-CB 3.28Å; C122-C136 CovalentContact SG-SG 2.05Å; C122-C136 PolarHBondContact SG-SG 3.13Å
123Y92.5Very high94.3Very high174 Ų17445.4 Ų45.468%0.68221%0.21SC*.  trans-73.6104.9176.8-64.1-63.8000110.8E121E121-Y123 HydrophobicContact CG-CE1 4.28Å; E121-Y123 HydrophobicContact CG-CE2 4.42Å; E121-Y123 VanDerWaalsContact OE1-CE1 3.25Å; E121-Y123 WeakPolarHBondContact OE1-CE1 3.38Å; E121-Y123 PolarHBondContact OE1-OH 3.25Å
124L92.4Very high94.3Very high8 Ų845 Ų454%0.04221%0.206CC..  trans-83.2124.3178.3-54175.5000110.2V36 P38 M41 C122 L126 H134V36-L124 HydrophobicContact CG1-CD1 4.07Å; P38-L124 HydrophobicContact CB-CD1 4.04Å; M41-L124 HydrophobicContact SD-CB 3.84Å; M41-L124 HydrophobicContact SD-CD1 4.33Å; M41-L124 HydrophobicContact SD-CG 4.07Å; C122-L124 PolarHBondContact O-N 3.41Å; C122-L124 VanDerWaalsContact O-N 3.14Å; L124-L126 HydrophobicContact CB-CD2 3.98Å; L124-L126 HydrophobicContact CB-CG 4.22Å; L124-L126 PolarHBondContact O-N 2.9Å; L124-H134 HydrophobicContact CD2-CB 3.92Å
125K91.6Very high94.3Very high161 Ų16146.3 Ų46.370%0.722%0.217SC*.  trans-91.398.6173.5-68.8-177.1-178.9177.90109.4H127 H134K125-H127 VanDerWaalsContact C-N 3.31Å; K125-H127 PolarHBondContact O-N 3.08Å; K125-H134 PolarHBondContact O-CE1 2.97Å
126L91.7Very high94.3Very high1 Ų142.5 Ų42.51%0.00520%0.203CC..  trans-89.120.6-167.8-59.2170000114.2M41 L124 N128 F129 D132 L258 P259 Y263 T265M41-L126 HydrophobicContact CE-CD1 4.32Å; L124-L126 HydrophobicContact CB-CD2 3.98Å; L124-L126 HydrophobicContact CB-CG 4.22Å; L124-L126 PolarHBondContact O-N 2.9Å; L126-N128 VanDerWaalsContact C-N 3.35Å; L126-N128 PolarHBondContact O-N 2.92Å; L126-F129 HydrophobicContact CB-CB 4.27Å; L126-F129 HydrophobicContact CD2-CD2 4.23Å; L126-F129 VanDerWaalsContact O-CB 3.24Å; L126-F129 WeakPolarHBondContact O-CB 3.49Å; L126-F129 PolarHBondContact O-N 2.86Å; L126-F129 VanDerWaalsContact O-N 3.16Å; L126-D132 WeakPolarHBondContact CD2-OD2 3.42Å; L126-L258 HydrophobicContact CD1-CD2 4.25Å; L126-P259 HydrophobicContact CD1-CG 3.43Å; L126-P259 VanDerWaalsContact CD1-CG 3.43Å; L126-Y263 HydrophobicContact CB-CE2 4.27Å; L126-Y263 PolarHBondContact N-OH 2.9Å; L126-T265 WeakPolarHBondContact O-CG2 3.41Å
127H90.8Very high94.3Very high95 Ų9542.8 Ų42.844%0.4421%0.206SC..THydrogen-bonded Turntrans-55.3-48.8-177.3-70.3-69.5000112.4K125 F129 Y263 T265 A266K125-H127 VanDerWaalsContact C-N 3.31Å; K125-H127 PolarHBondContact O-N 3.08Å; H127-F129 VanDerWaalsContact C-N 3.29Å; H127-F129 PolarHBondContact O-N 2.77Å; H127-Y263 AromaticContact CE1-CD1 3.81Å; H127-Y263 AromaticContact CE1-CD2 3.76Å; H127-Y263 AromaticContact CE1-CG 3.63Å; H127-Y263 AromaticContact ND1-CD2 3.48Å; H127-Y263 WeakPolarHBondContact ND1-CD2 3.44Å; H127-Y263 AromaticContact ND1-CE2 3.8Å; H127-Y263 AromaticContact ND1-CG 3.78Å; H127-T265 WeakPolarHBondContact O-CA 3.34Å; H127-A266 PolarHBondContact O-N 2.8Å
128N93Very high94.3Very high69 Ų6940.9 Ų40.937%0.36919%0.194SC..THydrogen-bonded Turntrans-91.819.1-177.6-65.9-3.7000112.6L126 M131 Y396L126-N128 VanDerWaalsContact C-N 3.35Å; L126-N128 PolarHBondContact O-N 2.92Å; N128-M131 CarbonylContact O-C 3.56Å; N128-M131 WeakPolarHBondContact O-CA 3.39Å; N128-M131 PolarHBondContact O-N 2.99Å; N128-Y396 HydrophobicContact CB-CD1 4.47Å
129F92.3Very high94.3Very high2 Ų243.3 Ų43.31%0.00921%0.205CC..THydrogen-bonded Turntrans-58129.2-177.8177.7-90.8000111.8L126 H127 R202 F207 L258 T265 A266 M267L126-F129 HydrophobicContact CB-CB 4.27Å; L126-F129 HydrophobicContact CD2-CD2 4.23Å; L126-F129 VanDerWaalsContact O-CB 3.24Å; L126-F129 WeakPolarHBondContact O-CB 3.49Å; L126-F129 PolarHBondContact O-N 2.86Å; L126-F129 VanDerWaalsContact O-N 3.16Å; H127-F129 VanDerWaalsContact C-N 3.29Å; H127-F129 PolarHBondContact O-N 2.77Å; F129-R202 VanDerWaalsContact CE2-CZ 3.47Å; F129-F207 HydrophobicContact CE1-CD1 4.21Å; F129-F207 AromaticContact CE1-CE1 3.93Å; F129-F207 HydrophobicContact CE1-CE1 3.93Å; F129-F207 HydrophobicContact CE1-CZ 4.32Å; F129-F207 HydrophobicContact CE2-CE1 4.35Å; F129-F207 HydrophobicContact CE2-CE2 4.36Å; F129-F207 AromaticContact CE2-CZ 3.93Å; F129-F207 HydrophobicContact CE2-CZ 3.93Å; F129-F207 HydrophobicContact CZ-CD1 4.04Å; F129-F207 AromaticContact CZ-CE1 3.36Å; F129-F207 HydrophobicContact CZ-CE1 3.36Å; F129-F207 HydrophobicContact CZ-CE2 4.07Å; F129-F207 AromaticContact CZ-CZ 3.38Å; F129-F207 HydrophobicContact CZ-CZ 3.38Å; F129-L258 HydrophobicContact CD1-CD1 3.79Å; F129-L258 HydrophobicContact CD1-CD2 3.98Å; F129-L258 HydrophobicContact CD1-CG 4.39Å; F129-L258 HydrophobicContact CD2-CD2 3.79Å; F129-L258 HydrophobicContact CE1-CD1 3.58Å; F129-L258 HydrophobicContact CE1-CD2 3.74Å; F129-L258 HydrophobicContact CE1-CG 3.93Å; F129-L258 HydrophobicContact CE2-CD2 3.52Å; F129-L258 HydrophobicContact CE2-CG 4.48Å; F129-L258 HydrophobicContact CG-CD2 4Å; F129-L258 HydrophobicContact CZ-CD1 4.14Å; F129-L258 HydrophobicContact CZ-CD2 3.47Å; F129-L258 VanDerWaalsContact CZ-CD2 3.47Å; F129-L258 HydrophobicContact CZ-CG 3.95Å; F129-T265 HydrophobicContact CB-CG2 4.43Å; F129-A266 WeakPolarHBondContact O-CB 3.2Å; F129-M267 HydrophobicContact CD1-CB 3.96Å; F129-M267 HydrophobicContact CD1-SD 4.07Å; F129-M267 HydrophobicContact CE1-CB 4.4Å; F129-M267 HydrophobicContact CE1-CE 4.39Å; F129-M267 HydrophobicContact CE1-SD 3.55Å; F129-M267 VanDerWaalsContact CE1-SD 3.55Å; F129-M267 PolarHBondContact O-N 3.4Å
130P92.9Very high94.3Very high0 Ų041.6 Ų41.60%020%0.196CC..THydrogen-bonded Turncis-102.2221040.6-35.6000115.4D132 R202 M204 F207 Y212P130-D132 VanDerWaalsContact C-N 3.31Å; P130-D132 WeakPolarHBondContact CA-OD1 3.25Å; P130-R202 WeakPolarHBondContact O-CD 3.28Å; P130-M204 HydrophobicContact CG-CG 4.31Å; P130-F207 HydrophobicContact CB-CB 4.19Å; P130-F207 HydrophobicContact CB-CD2 3.48Å; P130-F207 VanDerWaalsContact CB-CD2 3.48Å; P130-F207 HydrophobicContact CB-CE2 3.99Å; P130-F207 HydrophobicContact CB-CG 3.8Å; P130-F207 HydrophobicContact CG-CB 3.82Å; P130-F207 HydrophobicContact CG-CD2 4.08Å; P130-F207 HydrophobicContact CG-CG 3.98Å; P130-Y212 VanDerWaalsContact CD-OH 3.27Å; P130-Y212 WeakPolarHBondContact CD-OH 3.34Å; P130-Y212 HydrophobicContact CG-CE2 3.98Å
131M92.8Very high94.4Very high35 Ų3541.7 Ų41.717%0.17220%0.197CC..SBendtrans-99.935.7176.6-58.9135.9-168.700111N128 M204 Y392 W393 Y396 L397N128-M131 CarbonylContact O-C 3.56Å; N128-M131 WeakPolarHBondContact O-CA 3.39Å; N128-M131 PolarHBondContact O-N 2.99Å; M131-M204 HydrophobicContact CE-CE 3.64Å; M131-M204 HydrophobicContact CE-SD 3.93Å; M131-Y392 HydrophobicContact CE-CE1 4.38Å; M131-W393 HydrophobicContact CE-CE3 3.97Å; M131-W393 HydrophobicContact CE-CH2 3.89Å; M131-W393 HydrophobicContact CE-CZ3 3.26Å; M131-Y396 VanDerWaalsContact SD-CB 3.6Å; M131-L397 HydrophobicContact CE-CD1 3.88Å; M131-L397 HydrophobicContact CG-CD1 4.29Å; M131-L397 HydrophobicContact SD-CD1 3.74Å
132D92.9Very high94.4Very high4 Ų439.8 Ų39.82%0.02119%0.188CC..  trans-94.8140.4-172.951.6-36.9000111.9L126 P130 H134 R202L126-D132 WeakPolarHBondContact CD2-OD2 3.42Å; P130-D132 VanDerWaalsContact C-N 3.31Å; P130-D132 WeakPolarHBondContact CA-OD1 3.25Å; D132-H134 WeakPolarHBondContact CB-NE2 3.49Å; D132-H134 VanDerWaalsContact CG-NE2 3.31Å; D132-H134 IonicContact OD2-CD2 3.74Å; D132-H134 IonicContact OD2-CE1 3.79Å; D132-H134 IonicContact OD2-NE2 3.5Å; D132-H134 PolarHBondContact OD2-NE2 2.8Å; D132-R202 PolarHBondContact O-N 2.54Å; D132-R202 VanDerWaalsContact OD1-CD 3.26Å; D132-R202 WeakPolarHBondContact OD1-CD 3.43Å; D132-R202 IonicContact OD1-CZ 2.72Å; D132-R202 IonicContact OD1-NE 3.86Å; D132-R202 PolarHBondContact OD1-NE 3.12Å; D132-R202 IonicContact OD1-NH2 3.98Å; D132-R202 IonicContact OD2-CZ 3.26Å; D132-R202 IonicContact OD2-NE 2.93Å; D132-R202 PolarHBondContact OD2-NE 2.99Å; D132-R202 IonicContact OD2-NH2 2.7Å; D132-R202 PolarHBondContact OD2-NH2 2.97Å
133E93.6Very high94.4Very high144 Ų14447.8 Ų47.867%0.67322%0.219SC*.EExtended strand (participates in β ladder)trans-116138.6171.7-59.3-166.2156.400109.9
134H95.1Very high94.5Very high14 Ų1441.5 Ų41.57%0.06521%0.207CC..EExtended strand (participates in β ladder)trans-132.9142.7-176.8-55-77.3000111.3L124 K125 D132 F172 D199 L200L124-H134 HydrophobicContact CD2-CB 3.92Å; K125-H134 PolarHBondContact O-CE1 2.97Å; D132-H134 WeakPolarHBondContact CB-NE2 3.49Å; D132-H134 VanDerWaalsContact CG-NE2 3.31Å; D132-H134 IonicContact OD2-CD2 3.74Å; D132-H134 IonicContact OD2-CE1 3.79Å; D132-H134 IonicContact OD2-NE2 3.5Å; D132-H134 PolarHBondContact OD2-NE2 2.8Å; H134-F172 AromaticContact CD2-CE1 3.83Å; H134-D199 WeakPolarHBondContact O-CA 3.5Å; H134-L200 PolarHBondContact N-O 3.4Å; H134-L200 PolarHBondContact O-N 2.95Å
135S96Very high94.6Very high46 Ų4643.5 Ų43.532%0.32221%0.214SC..EExtended strand (participates in β ladder)trans-107.799169.2-610000109.4P137 R178 F198 D199S135-P137 WeakPolarHBondContact O-CD 3.41Å; S135-R178 PolarHBondContact OG-NH1 2.81Å; S135-R178 VanDerWaalsContact OG-NH1 3.12Å; S135-R178 PolarHBondContact OG-NH2 2.73Å; S135-F198 CarbonylContact C-O 3.43Å; S135-F198 WeakPolarHBondContact CA-O 3.47Å; S135-D199 VanDerWaalsContact CB-OD1 3.25Å; S135-D199 WeakPolarHBondContact CB-OD1 3.41Å; S135-D199 PolarHBondContact OG-OD1 3.34Å
136C96.5Very high94.8Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-85.2121.8-179.4-72.50000111.7Y43 C122 F197 F198Y43-C136 HydrophobicContact CD1-CB 3.98Å; Y43-C136 HydrophobicContact CE1-CB 3.67Å; C122-C136 HydrophobicContact CB-CB 3.72Å; C122-C136 WeakPolarHBondContact CB-SG 3.41Å; C122-C136 WeakPolarHBondContact SG-CA 3.42Å; C122-C136 WeakPolarHBondContact SG-CB 3.28Å; C122-C136 CovalentContact SG-SG 2.05Å; C122-C136 PolarHBondContact SG-SG 3.13Å; C136-F197 WeakPolarHBondContact O-CA 3.35Å; C136-F198 PolarHBondContact N-O 2.81Å; C136-F198 PolarHBondContact O-N 3.19Å
137P97.1Very high95Very high25 Ų2540.4 Ų40.416%0.16220%0.203CC..EExtended strand (participates in β ladder)trans-83.1147.6-179.733-33.7000112Y43 N86 S135 E139 T195 I196 F197Y43-P137 PolarHBondContact OH-O 3.35Å; N86-P137 PolarHBondContact ND2-O 2.72Å; S135-P137 WeakPolarHBondContact O-CD 3.41Å; P137-E139 HydrophobicContact CB-CG 4.32Å; P137-T195 HydrophobicContact CB-CG2 3.86Å; P137-I196 CarbonylContact C-O 3.21Å; P137-I196 WeakPolarHBondContact CA-O 3.26Å; P137-F197 HydrophobicContact CB-CD1 3.91Å; P137-F197 HydrophobicContact CB-CE1 3.81Å
138L97.3Very high95.2Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-121.6109.7162-177.666.5000107.9I45 I47 F84 I118 A120 T195 I196 F198I45-L138 HydrophobicContact CD1-CD2 4.4Å; I47-L138 HydrophobicContact CD1-CD2 4.31Å; F84-L138 HydrophobicContact CD1-CD1 3.65Å; F84-L138 HydrophobicContact CD1-CD2 4.45Å; F84-L138 HydrophobicContact CD1-CG 3.96Å; F84-L138 HydrophobicContact CE1-CD1 4.08Å; F84-L138 HydrophobicContact CE1-CD2 4.05Å; F84-L138 HydrophobicContact CE1-CG 4.02Å; I118-L138 HydrophobicContact CD1-CD1 4.36Å; I118-L138 HydrophobicContact CG2-CD1 4.38Å; A120-L138 HydrophobicContact CB-CD1 4.13Å; L138-T195 WeakPolarHBondContact O-CA 3.43Å; L138-I196 HydrophobicContact CB-CB 4.5Å; L138-I196 PolarHBondContact N-O 2.78Å; L138-I196 PolarHBondContact O-N 2.87Å; L138-F198 HydrophobicContact CB-CE2 3.95Å; L138-F198 HydrophobicContact CD2-CE2 4.37Å
139E96.9Very high95.3Very high51 Ų5140.5 Ų40.524%0.23821%0.205CC..EExtended strand (participates in β ladder)trans-108.2133.6-173.8-59.4-173.6-176.900111F84 R85 N86 P137 I193 M194 T195F84-E139 CarbonylContact C-O 3.48Å; F84-E139 VanDerWaalsContact CA-O 3.24Å; F84-E139 WeakPolarHBondContact CA-O 3.24Å; R85-E139 HydrophobicContact CB-CB 4.14Å; R85-E139 HydrophobicContact CG-CB 4.48Å; R85-E139 PolarHBondContact N-O 2.91Å; R85-E139 IonicContact NH1-OE2 2.73Å; N86-E139 PolarHBondContact OD1-N 2.63Å; P137-E139 HydrophobicContact CB-CG 4.32Å; E139-I193 HydrophobicContact CB-CG2 4.21Å; E139-M194 WeakPolarHBondContact CA-O 3.26Å; E139-T195 HydrophobicContact CG-CG2 3.86Å
140F97.4Very high95.5Very high0 Ų040.4 Ų40.40%021%0.205CC..EExtended strand (participates in β ladder)trans-139.8148171.960.9-88.9000112.4T26 F49 T82 F83 F84 W154 M194 I196T26-F140 HydrophobicContact CG2-CE2 4.01Å; F49-F140 HydrophobicContact CE2-CD1 4.34Å; F49-F140 HydrophobicContact CE2-CD2 4.15Å; F49-F140 HydrophobicContact CE2-CE1 4.07Å; F49-F140 AromaticContact CE2-CE2 3.87Å; F49-F140 HydrophobicContact CE2-CE2 3.87Å; F49-F140 HydrophobicContact CE2-CG 4.37Å; F49-F140 AromaticContact CE2-CZ 3.82Å; F49-F140 HydrophobicContact CE2-CZ 3.82Å; F49-F140 AromaticContact CZ-CD2 3.83Å; F49-F140 HydrophobicContact CZ-CD2 3.83Å; F49-F140 AromaticContact CZ-CE2 3.75Å; F49-F140 HydrophobicContact CZ-CE2 3.75Å; F49-F140 HydrophobicContact CZ-CG 4.35Å; F49-F140 HydrophobicContact CZ-CZ 4.2Å; T82-F140 HydrophobicContact CG2-CB 4.14Å; T82-F140 HydrophobicContact CG2-CD2 3.83Å; T82-F140 HydrophobicContact CG2-CG 4.38Å; F83-F140 VanDerWaalsContact O-CA 3.23Å; F83-F140 WeakPolarHBondContact O-CA 3.31Å; F83-F140 WeakPolarHBondContact O-CB 3.45Å; F84-F140 HydrophobicContact CD1-CB 3.83Å; F84-F140 HydrophobicContact CD1-CD1 4.44Å; F84-F140 HydrophobicContact CE1-CB 3.97Å; F84-F140 AromaticContact CE1-CD1 3.99Å; F84-F140 HydrophobicContact CE1-CD1 3.99Å; F84-F140 HydrophobicContact CE1-CG 4.26Å; F84-F140 HydrophobicContact CG-CB 4.36Å; F140-W154 AromaticContact CE1-CH2 3.76Å; F140-W154 HydrophobicContact CE1-CH2 3.76Å; F140-W154 HydrophobicContact CE1-CZ3 4.29Å; F140-W154 AromaticContact CZ-CH2 3.62Å; F140-W154 HydrophobicContact CZ-CH2 3.62Å; F140-W154 HydrophobicContact CZ-CZ2 4.48Å; F140-W154 AromaticContact CZ-CZ3 3.86Å; F140-W154 HydrophobicContact CZ-CZ3 3.86Å; F140-M194 HydrophobicContact CD1-CB 4.21Å; F140-M194 HydrophobicContact CD2-CB 3.88Å; F140-M194 HydrophobicContact CD2-CG 4.28Å; F140-M194 HydrophobicContact CE1-CB 3.76Å; F140-M194 HydrophobicContact CE2-CB 3.37Å; F140-M194 HydrophobicContact CE2-CG 3.65Å; F140-M194 HydrophobicContact CG-CB 4.28Å; F140-M194 HydrophobicContact CZ-CB 3.31Å; F140-M194 HydrophobicContact CZ-CG 3.98Å; F140-M194 PolarHBondContact N-O 3.14Å; F140-M194 PolarHBondContact O-N 3.37Å; F140-I196 HydrophobicContact CE1-CD1 4.44Å
141S97.1Very high95.7Very high2 Ų241.9 Ų41.91%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-151176.2176.968.30000110.3T82 F83 V192T82-S141 WeakPolarHBondContact CA-O 3.37Å; F83-S141 VanDerWaalsContact CD1-O 3.3Å; F83-S141 WeakPolarHBondContact CD1-O 3.37Å; F83-S141 VanDerWaalsContact CE1-OG 3.27Å; F83-S141 WeakPolarHBondContact CE1-OG 3.23Å; F83-S141 PolarHBondContact N-O 2.86Å; F83-S141 PolarHBondContact O-N 3.5Å; F83-S141 VanDerWaalsContact O-N 3.13Å; S141-V192 WeakPolarHBondContact CB-O 3.42Å
142S96.8Very high95.9Very high2 Ų240.4 Ų40.41%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-73.4146.5164.538.30000109.4D81 F83 Y145 Y152 Y191D81-S142 VanDerWaalsContact OD1-CB 3.31Å; D81-S142 WeakPolarHBondContact OD1-CB 3.36Å; F83-S142 WeakPolarHBondContact CE1-O 3.3Å; S142-Y145 WeakPolarHBondContact CB-O 3.47Å; S142-Y145 PolarHBondContact OG-O 2.87Å; S142-Y152 VanDerWaalsContact N-CE2 3.29Å; S142-Y152 PolarHBondContact N-OH 2.83Å; S142-Y191 WeakPolarHBondContact O-CD1 3.21Å
143Y95Very high96Very high171 Ų17147.2 Ų47.267%0.67123%0.232SC*.SBendtrans-83.5-52179.6-173.9-98000112D81 F83D81-Y143 PolarHBondContact O-N 2.76Å; D81-Y143 PolarHBondContact OD1-N 2.95Å; D81-Y143 PolarHBondContact OD2-N 3.34Å; F83-Y143 AromaticContact CD1-CD2 3.94Å; F83-Y143 HydrophobicContact CD1-CD2 3.94Å; F83-Y143 HydrophobicContact CD1-CG 4.31Å; F83-Y143 HydrophobicContact CD2-CD2 4.37Å; F83-Y143 AromaticContact CE1-CD2 3.86Å; F83-Y143 HydrophobicContact CE1-CD2 3.86Å; F83-Y143 HydrophobicContact CE1-CG 4.39Å; F83-Y143 HydrophobicContact CE2-CD2 4.29Å; F83-Y143 HydrophobicContact CG-CD2 4.2Å; F83-Y143 HydrophobicContact CZ-CD2 4.03Å
144G94.3Very high96.1Very high42 Ų4242.7 Ų42.743%0.43321%0.209SC..SBendtrans-101.2-27.1-175.100000114.4D81 P146D81-G144 WeakPolarHBondContact OD2-CA 3.41Å; D81-G144 PolarHBondContact OD2-N 2.72Å; G144-P146 WeakPolarHBondContact O-CD 3.34Å
145Y95.9Very high96.1Very high50 Ų5044.5 Ų44.520%0.19622%0.217CC..  trans-91.7117.5-174.2-61.8-73.7000112.6R14 W78 D81 S142 E149 I150 Y191R14-Y145 HydrophobicContact CB-CE1 4.31Å; R14-Y145 HydrophobicContact CG-CE1 4.44Å; W78-Y145 HydrophobicContact CZ2-CE2 4.04Å; W78-Y145 AromaticContact NE1-CZ 3.91Å; W78-Y145 PolarHBondContact NE1-OH 2.77Å; D81-Y145 VanDerWaalsContact OD1-CD2 3.28Å; D81-Y145 WeakPolarHBondContact OD1-CD2 3.44Å; S142-Y145 WeakPolarHBondContact CB-O 3.47Å; S142-Y145 PolarHBondContact OG-O 2.87Å; Y145-E149 HydrophobicContact CD1-CB 4.07Å; Y145-E149 VanDerWaalsContact CD1-OE2 3.28Å; Y145-E149 WeakPolarHBondContact CD1-OE2 3.29Å; Y145-I150 HydrophobicContact CD1-CD1 4.4Å; Y145-I150 HydrophobicContact CD2-CD1 3.3Å; Y145-I150 HydrophobicContact CD2-CG1 4.23Å; Y145-I150 HydrophobicContact CE2-CD1 4.08Å; Y145-I150 HydrophobicContact CG-CD1 3.48Å; Y145-I150 VanDerWaalsContact CG-CD1 3.48Å; Y145-I150 HydrophobicContact CG-CG1 3.89Å; Y145-Y191 VanDerWaalsContact C-CE1 3.5Å; Y145-Y191 VanDerWaalsContact O-CD1 3.29Å; Y145-Y191 WeakPolarHBondContact O-CD1 3.37Å; Y145-Y191 VanDerWaalsContact O-CE1 3.24Å; Y145-Y191 WeakPolarHBondContact O-CE1 3.22Å
146P96.3Very high95.6Very high23 Ų2355 Ų5515%0.14925%0.249CC..  trans-73.6176175.692.4000112.1G144 N148 E149 I150 E190G144-P146 WeakPolarHBondContact O-CD 3.34Å; P146-N148 WeakPolarHBondContact CB-OD1 3.2Å; P146-N148 VanDerWaalsContact CG-OD1 3.24Å; P146-N148 WeakPolarHBondContact CG-OD1 3.48Å; P146-N148 PolarHBondContact O-N 3.18Å; P146-N148 VanDerWaalsContact O-N 3.16Å; P146-E149 WeakPolarHBondContact O-CA 3.47Å; P146-E149 PolarHBondContact O-N 2.77Å; P146-I150 PolarHBondContact O-N 2.88Å; P146-E190 CarbonylContact C-O 3.56Å; P146-E190 WeakPolarHBondContact CA-O 3.43Å; P146-E190 WeakPolarHBondContact CB-O 3.46Å
147K95.3Very high95Very high73 Ų7364.1 Ų64.132%0.31728%0.284SS..THydrogen-bonded Turntrans-54-33.6-178.8177.3179.6170.6-172.70113.7E149 I150 T151 E183 E190 V192K147-E149 PolarHBondContact O-N 3.32Å; K147-I150 WeakPolarHBondContact CA-O 3.29Å; K147-T151 PolarHBondContact O-OG1 3.36Å; K147-E183 WeakPolarHBondContact CE-OE1 3.28Å; K147-E183 IonicContact NZ-OE1 3.76Å; K147-E183 PolarHBondContact NZ-OE1 3.09Å; K147-E183 IonicContact NZ-OE2 3.4Å; K147-E183 PolarHBondContact NZ-OE2 3.21Å; K147-E190 WeakPolarHBondContact CB-O 2.98Å; K147-E190 PolarHBondContact N-O 3.24Å; K147-V192 HydrophobicContact CB-CG2 4.08Å; K147-V192 HydrophobicContact CD-CG2 4.26Å; K147-V192 HydrophobicContact CG-CG2 3.81Å
148N94.4Very high94.3Very high111 Ų11163.3 Ų63.359%0.59428%0.28SS*.THydrogen-bonded Turntrans-71.7-14.3176.264.3-18.5000113.6P21 P146P21-N148 WeakPolarHBondContact CG-O 3.39Å; P146-N148 WeakPolarHBondContact CB-OD1 3.2Å; P146-N148 VanDerWaalsContact CG-OD1 3.24Å; P146-N148 WeakPolarHBondContact CG-OD1 3.48Å; P146-N148 PolarHBondContact O-N 3.18Å; P146-N148 VanDerWaalsContact O-N 3.16Å
149E95.6Very high93.9Very high56 Ų5664.6 Ų64.626%0.26229%0.287SS..THydrogen-bonded Turntrans-110.9-42.1179.1-67.3-154.7-148.200113.2R14 P21 T22 Y145 P146 K147R14-E149 WeakPolarHBondContact CD-OE2 3.43Å; R14-E149 IonicContact CZ-OE2 3.85Å; R14-E149 IonicContact NE-OE2 3.24Å; R14-E149 PolarHBondContact NE-OE2 2.83Å; R14-E149 IonicContact NH2-OE2 3.02Å; P21-E149 CarbonylContact C-O 3.55Å; P21-E149 VanDerWaalsContact CA-O 3.3Å; P21-E149 WeakPolarHBondContact CA-O 3.46Å; T22-E149 PolarHBondContact N-O 2.91Å; Y145-E149 HydrophobicContact CD1-CB 4.07Å; Y145-E149 VanDerWaalsContact CD1-OE2 3.28Å; Y145-E149 WeakPolarHBondContact CD1-OE2 3.29Å; P146-E149 WeakPolarHBondContact O-CA 3.47Å; P146-E149 PolarHBondContact O-N 2.77Å; K147-E149 PolarHBondContact O-N 3.32Å
150I96.4Very high93.6Very high0 Ų066 Ų660%029%0.294CS..EExtended strand (participates in β ladder)trans-130.5136176.9-68.7-175.5000109.8T22 I24 W78 Y145 P146 K147 Y152T22-I150 WeakPolarHBondContact O-CA 3.4Å; I24-I150 HydrophobicContact CD1-CD1 4.16Å; I24-I150 HydrophobicContact CD1-CG2 3.54Å; I24-I150 HydrophobicContact CG1-CG2 4.15Å; W78-I150 HydrophobicContact CH2-CD1 3.83Å; W78-I150 HydrophobicContact CZ2-CD1 3.82Å; Y145-I150 HydrophobicContact CD1-CD1 4.4Å; Y145-I150 HydrophobicContact CD2-CD1 3.3Å; Y145-I150 HydrophobicContact CD2-CG1 4.23Å; Y145-I150 HydrophobicContact CE2-CD1 4.08Å; Y145-I150 HydrophobicContact CG-CD1 3.48Å; Y145-I150 VanDerWaalsContact CG-CD1 3.48Å; Y145-I150 HydrophobicContact CG-CG1 3.89Å; P146-I150 PolarHBondContact O-N 2.88Å; K147-I150 WeakPolarHBondContact CA-O 3.29Å; I150-Y152 HydrophobicContact CG2-CD2 4.33Å; I150-Y152 HydrophobicContact CG2-CE2 3.87Å
151T96.3Very high93.2Very high30 Ų3068.2 Ų68.218%0.18431%0.308CS..EExtended strand (participates in β ladder)trans-128.9125172.3-56.80000109.7T22 V23 I24 K147 V192T22-T151 PolarHBondContact O-N 2.85Å; V23-T151 WeakPolarHBondContact CA-O 3.49Å; I24-T151 PolarHBondContact N-O 2.85Å; K147-T151 PolarHBondContact O-OG1 3.36Å; T151-V192 HydrophobicContact CG2-CG2 4.39Å
152Y97.1Very high92.8Very high4 Ų469 Ų692%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-85.3146.1174.3-66.8-80.7000111.6I24 T26 T82 S142 I150 M194I24-Y152 HydrophobicContact CB-CD1 3.91Å; I24-Y152 HydrophobicContact CB-CE1 4.08Å; I24-Y152 HydrophobicContact CD1-CE1 3.96Å; I24-Y152 HydrophobicContact CG2-CD1 4.05Å; I24-Y152 HydrophobicContact CG2-CE1 4.03Å; I24-Y152 CarbonylContact O-C 3.44Å; I24-Y152 WeakPolarHBondContact O-CA 3.45Å; T26-Y152 HydrophobicContact CG2-CD1 3.7Å; T26-Y152 HydrophobicContact CG2-CE1 4.24Å; T82-Y152 HydrophobicContact CG2-CE1 4.3Å; T82-Y152 PolarHBondContact OG1-OH 2.92Å; S142-Y152 VanDerWaalsContact N-CE2 3.29Å; S142-Y152 PolarHBondContact N-OH 2.83Å; I150-Y152 HydrophobicContact CG2-CD2 4.33Å; I150-Y152 HydrophobicContact CG2-CE2 3.87Å; Y152-M194 VanDerWaalsContact CB-CG 3.46Å; Y152-M194 HydrophobicContact CG-CG 4.06Å
153R96.2Very high92.2Very high147 Ų14772.6 Ų72.656%0.55533%0.333SS*.EExtended strand (participates in β ladder)trans-140.2143.1173.6-67.6-171.8179.5176.6-2.5110.6V23 I24 E25 T26V23-R153 HydrophobicContact CG1-CG 4.02Å; I24-R153 PolarHBondContact O-N 3.36Å; E25-R153 CarbonylContact C-O 3.51Å; E25-R153 VanDerWaalsContact CA-O 3.25Å; E25-R153 WeakPolarHBondContact CA-O 3.2Å; T26-R153 PolarHBondContact N-O 2.97Å; T26-R153 PolarHBondContact OG1-O 2.93Å
154W96Very high91.5Very high50 Ų5069.8 Ų69.819%0.18933%0.326CS..EExtended strand (participates in β ladder)trans-72.3137.3173.2-68115.9000111.1V28 F140 A158 V159 N179 T180 T181 M194 I196V28-W154 HydrophobicContact CG2-CZ3 4.46Å; F140-W154 AromaticContact CE1-CH2 3.76Å; F140-W154 HydrophobicContact CE1-CH2 3.76Å; F140-W154 HydrophobicContact CE1-CZ3 4.29Å; F140-W154 AromaticContact CZ-CH2 3.62Å; F140-W154 HydrophobicContact CZ-CH2 3.62Å; F140-W154 HydrophobicContact CZ-CZ2 4.48Å; F140-W154 AromaticContact CZ-CZ3 3.86Å; F140-W154 HydrophobicContact CZ-CZ3 3.86Å; W154-A158 HydrophobicContact CB-CB 3.87Å; W154-A158 HydrophobicContact CD2-CB 4.03Å; W154-A158 HydrophobicContact CE3-CB 3.69Å; W154-A158 HydrophobicContact CG-CB 4.16Å; W154-V159 HydrophobicContact CZ3-CG2 4.28Å; W154-N179 HydrophobicContact CD2-CB 4.47Å; W154-N179 HydrophobicContact CZ2-CB 3.93Å; W154-T180 PolarHBondContact NE1-O 2.96Å; W154-T181 PolarHBondContact NE1-OG1 3.08Å; W154-T181 VanDerWaalsContact NE1-OG1 3.11Å; W154-M194 HydrophobicContact CB-CE 4.38Å; W154-M194 HydrophobicContact CD2-CE 3.25Å; W154-M194 HydrophobicContact CE3-CE 3.77Å; W154-M194 HydrophobicContact CG-CE 3.53Å; W154-M194 HydrophobicContact CH2-CB 4.07Å; W154-M194 HydrophobicContact CH2-CE 4.21Å; W154-M194 HydrophobicContact CZ2-CB 3.8Å; W154-M194 HydrophobicContact CZ2-CE 3.75Å; W154-M194 HydrophobicContact CZ2-SD 4.41Å; W154-M194 HydrophobicContact CZ3-CE 4.23Å; W154-I196 HydrophobicContact CH2-CD1 3.85Å; W154-I196 HydrophobicContact CH2-CG1 3.5Å; W154-I196 VanDerWaalsContact CH2-CG1 3.5Å; W154-I196 HydrophobicContact CZ2-CG1 4.16Å; W154-I196 HydrophobicContact CZ3-CD1 4.24Å; W154-I196 HydrophobicContact CZ3-CG1 4.29Å
155Q93.8Very high90.6Very high52 Ų5277.9 Ų77.924%0.24334%0.343CS..EExtended strand (participates in β ladder)trans-69.3161.3165-70-172.32.500111.1E25 T26 A27 T52 R157 A158E25-Q155 HydrophobicContact CB-CG 3.78Å; T26-Q155 PolarHBondContact O-N 2.73Å; A27-Q155 HydrophobicContact CB-CB 4.31Å; A27-Q155 HydrophobicContact CB-CG 4.33Å; T52-Q155 PolarHBondContact OG1-NE2 3.4Å; Q155-R157 PolarHBondContact O-N 3.47Å; Q155-A158 WeakPolarHBondContact O-CA 3.32Å; Q155-A158 WeakPolarHBondContact O-CB 3.33Å; Q155-A158 PolarHBondContact O-N 3.19Å; Q155-A158 VanDerWaalsContact O-N 3.11Å
156R85.8Confident89.8Confident265 Ų26584 Ų84100%137%0.367SS*.EExtended strand (participates in β ladder)trans-54.4-37.6177.2-74.5-173.8177.3-178.8-1.3112.9
157R84.9Confident89.3Confident192 Ų19284 Ų8473%0.72536%0.364SS*.EExtended strand (participates in β ladder)trans-10779167-65.3-167.8-174.9174.5-3108Q155 E160Q155-R157 PolarHBondContact O-N 3.47Å; R157-E160 WeakPolarHBondContact CD-OE1 3.39Å; R157-E160 IonicContact NH1-OE1 3.73Å
158A82.4Confident88.7Confident9 Ų988.3 Ų88.37%0.07438%0.379CS..EExtended strand (participates in β ladder)trans-68.2-45.4-170.800000112.2A27 V28 W154 Q155A27-A158 CarbonylContact C-O 3.57Å; A27-A158 VanDerWaalsContact CA-O 3.24Å; A27-A158 WeakPolarHBondContact CA-O 3.45Å; V28-A158 PolarHBondContact N-O 2.92Å; W154-A158 HydrophobicContact CB-CB 3.87Å; W154-A158 HydrophobicContact CD2-CB 4.03Å; W154-A158 HydrophobicContact CE3-CB 3.69Å; W154-A158 HydrophobicContact CG-CB 4.16Å; Q155-A158 WeakPolarHBondContact O-CA 3.32Å; Q155-A158 WeakPolarHBondContact O-CB 3.33Å; Q155-A158 PolarHBondContact O-N 3.19Å; Q155-A158 VanDerWaalsContact O-N 3.11Å
159V87.9Confident88.3Confident26 Ų2684.1 Ų84.116%0.15836%0.356CS..EExtended strand (participates in β ladder)trans-136.7125-179.5-1670000109.9V28 V30 W154 M177 I196V28-V159 HydrophobicContact CB-CG1 4.14Å; V28-V159 HydrophobicContact CB-CG2 4.36Å; V28-V159 HydrophobicContact CG1-CG1 4.49Å; V28-V159 CarbonylContact O-C 3.6Å; V28-V159 VanDerWaalsContact O-CA 3.22Å; V28-V159 WeakPolarHBondContact O-CA 3.49Å; V30-V159 HydrophobicContact CG2-CG1 4.08Å; W154-V159 HydrophobicContact CZ3-CG2 4.28Å; V159-M177 HydrophobicContact CB-CE 3.32Å; V159-M177 HydrophobicContact CB-SD 4.32Å; V159-M177 HydrophobicContact CG1-CE 3.38Å; V159-M177 HydrophobicContact CG1-SD 4.05Å; V159-M177 HydrophobicContact CG2-CE 3.78Å; V159-I196 HydrophobicContact CG1-CD1 4.45Å; V159-I196 HydrophobicContact CG2-CD1 3.62Å; V159-I196 HydrophobicContact CG2-CG1 4.02Å; V159-I196 HydrophobicContact CG2-CG2 4.43Å
160E90.7Very high87.6Confident80 Ų8089.9 Ų89.937%0.37438%0.376SS..EExtended strand (participates in β ladder)trans-116.4151.3174.8-70.7-176.1172.700109.2V28 Y29 V30 R157V28-E160 PolarHBondContact O-N 2.89Å; Y29-E160 CarbonylContact C-O 3.58Å; Y29-E160 WeakPolarHBondContact CA-O 3.41Å; Y29-E160 HydrophobicContact CD2-CB 3.71Å; Y29-E160 HydrophobicContact CE2-CB 4.23Å; V30-E160 PolarHBondContact N-O 2.8Å; R157-E160 WeakPolarHBondContact CD-OE1 3.39Å; R157-E160 IonicContact NH1-OE1 3.73Å
161V89.9Confident87.1Confident48 Ų4893.5 Ų93.529%0.29139%0.393SS..EExtended strand (participates in β ladder)trans-128.2128.7-169.2-171.90000107.7W167 M177V161-W167 HydrophobicContact CB-CZ2 4.48Å; V161-W167 HydrophobicContact CG1-CH2 3.27Å; V161-W167 HydrophobicContact CG1-CZ2 3.06Å; V161-W167 HydrophobicContact CG1-CZ3 4.49Å; V161-M177 HydrophobicContact CG2-SD 3.53Å; V161-M177 VanDerWaalsContact CG2-SD 3.53Å
162A87.6Confident86.9Confident17 Ų1792.2 Ų92.214%0.1439%0.385CS..  trans-66.3169.6173.100000111.6Y29 V30 N31 Q164Y29-A162 HydrophobicContact CE1-CB 4.02Å; Y29-A162 WeakPolarHBondContact OH-CB 3.42Å; V30-A162 WeakPolarHBondContact O-CB 3.49Å; V30-A162 PolarHBondContact O-N 2.87Å; N31-A162 WeakPolarHBondContact O-CB 3.27Å; A162-Q164 PolarHBondContact O-N 2.05Å
163D84.4Confident86.6Confident78 Ų7893.4 Ų93.442%0.41740%0.396SS..  trans-56.5125175.8-173.4-6.1000110.6R165 Y166D163-R165 PolarHBondContact O-N 3.01Å; D163-R165 VanDerWaalsContact O-N 3.1Å; D163-R165 WeakPolarHBondContact OD1-CG 3.42Å; D163-R165 PolarHBondContact OD1-N 2.86Å; D163-R165 IonicContact OD1-NE 3.89Å; D163-R165 IonicContact OD2-NE 3.92Å; D163-R165 PolarHBondContact OD2-NE 2.73Å; D163-Y166 HydrophobicContact CB-CD2 3.95Å; D163-Y166 HydrophobicContact CB-CE2 3.97Å; D163-Y166 PolarHBondContact O-N 2.91Å
164Q79.6Confident86.4Confident112 Ų11288 Ų8852%0.52338%0.377SS..G310 helixtrans-61.1-20.8-175.3-61.2173.69.900112.5A162 Y166 W167 F174A162-Q164 PolarHBondContact O-N 2.05Å; Q164-Y166 PolarHBondContact O-N 3.01Å; Q164-W167 WeakPolarHBondContact O-CB 3.49Å; Q164-W167 PolarHBondContact O-N 2.75Å; Q164-W167 VanDerWaalsContact O-N 3.15Å; Q164-F174 HydrophobicContact CG-CD1 4.48Å
165R76.9Confident86.3Confident213 Ų21390.1 Ų90.180%0.80440%0.395SS*.G310 helixtrans-60.2-27.6178.9-66-179.9-139.7-142.8-2.6113.8D163 W167D163-R165 PolarHBondContact O-N 3.01Å; D163-R165 VanDerWaalsContact O-N 3.1Å; D163-R165 WeakPolarHBondContact OD1-CG 3.42Å; D163-R165 PolarHBondContact OD1-N 2.86Å; D163-R165 IonicContact OD1-NE 3.89Å; D163-R165 IonicContact OD2-NE 3.92Å; D163-R165 PolarHBondContact OD2-NE 2.73Å; R165-W167 VanDerWaalsContact C-N 3.3Å
166Y78.5Confident86.2Confident178 Ų17888.6 Ų88.670%0.69839%0.393SS*.G310 helixtrans-87.7-0.9-177.8-59.1-74.6000113.1D163 Q164D163-Y166 HydrophobicContact CB-CD2 3.95Å; D163-Y166 HydrophobicContact CB-CE2 3.97Å; D163-Y166 PolarHBondContact O-N 2.91Å; Q164-Y166 PolarHBondContact O-N 3.01Å
167W85.8Confident86.5Confident24 Ų2478.8 Ų78.89%0.09136%0.36CS..  trans-81.5146.6-174.6-66.613.5000111.3V30 N31 I33 V161 Q164 R165 L169 F174V30-W167 HydrophobicContact CG1-CH2 4.27Å; V30-W167 HydrophobicContact CG1-CZ2 3.86Å; N31-W167 PolarHBondContact O-NE1 3.29Å; I33-W167 HydrophobicContact CB-CE3 4.14Å; I33-W167 HydrophobicContact CB-CZ3 4.24Å; I33-W167 HydrophobicContact CD1-CE3 4.19Å; I33-W167 HydrophobicContact CD1-CH2 3.68Å; I33-W167 HydrophobicContact CD1-CZ3 3.44Å; I33-W167 VanDerWaalsContact CD1-CZ3 3.44Å; I33-W167 HydrophobicContact CG1-CE3 4.05Å; I33-W167 HydrophobicContact CG1-CH2 3.78Å; I33-W167 HydrophobicContact CG1-CZ2 4.27Å; I33-W167 HydrophobicContact CG1-CZ3 3.68Å; V161-W167 HydrophobicContact CB-CZ2 4.48Å; V161-W167 HydrophobicContact CG1-CH2 3.27Å; V161-W167 HydrophobicContact CG1-CZ2 3.06Å; V161-W167 HydrophobicContact CG1-CZ3 4.49Å; Q164-W167 WeakPolarHBondContact O-CB 3.49Å; Q164-W167 PolarHBondContact O-N 2.75Å; Q164-W167 VanDerWaalsContact O-N 3.15Å; R165-W167 VanDerWaalsContact C-N 3.3Å; W167-L169 VanDerWaalsContact C-N 3.29Å; W167-L169 HydrophobicContact CE3-CD1 3.71Å; W167-L169 HydrophobicContact CZ3-CD1 4.32Å; W167-L169 PolarHBondContact O-N 2.91Å; W167-F174 HydrophobicContact CE3-CB 4.11Å; W167-F174 HydrophobicContact CE3-CG 4.39Å; W167-F174 HydrophobicContact CH2-CD1 4.41Å; W167-F174 HydrophobicContact CH2-CD2 4.2Å; W167-F174 HydrophobicContact CH2-CE2 4.37Å; W167-F174 HydrophobicContact CH2-CG 4.21Å; W167-F174 HydrophobicContact CZ3-CB 3.69Å; W167-F174 HydrophobicContact CZ3-CD1 4.03Å; W167-F174 AromaticContact CZ3-CD2 3.67Å; W167-F174 HydrophobicContact CZ3-CD2 3.67Å; W167-F174 HydrophobicContact CZ3-CE2 4.27Å; W167-F174 AromaticContact CZ3-CG 3.51Å; W167-F174 HydrophobicContact CZ3-CG 3.51Å
168R83.1Confident87Confident163 Ų16375 Ų7562%0.61535%0.345SS*.  trans-97.944.8-177.8-63.1179.9175.8178.7-2.7111.3I33 Y170I33-R168 PolarHBondContact O-N 3.49Å; R168-Y170 HydrophobicContact CB-CE2 4.3Å; R168-Y170 PolarHBondContact O-N 2.79Å
169L84.8Confident87.6Confident22 Ų2278.3 Ų78.312%0.11536%0.362CS..  trans-90.587.2176-67.9175.4000110I33 G34 V36 W167 F172 F174 L200I33-L169 HydrophobicContact CB-CD1 4.47Å; I33-L169 HydrophobicContact CB-CD2 4.27Å; I33-L169 HydrophobicContact CB-CG 4.43Å; I33-L169 HydrophobicContact CG2-CD2 3.86Å; G34-L169 WeakPolarHBondContact O-CD2 3.07Å; V36-L169 HydrophobicContact CG2-CD2 4.3Å; W167-L169 VanDerWaalsContact C-N 3.29Å; W167-L169 HydrophobicContact CE3-CD1 3.71Å; W167-L169 HydrophobicContact CZ3-CD1 4.32Å; W167-L169 PolarHBondContact O-N 2.91Å; L169-F172 WeakPolarHBondContact CB-O 3.33Å; L169-F172 HydrophobicContact CD2-CB 4.31Å; L169-F174 HydrophobicContact CD1-CB 4.08Å; L169-L200 HydrophobicContact CD1-CD2 4.18Å
170Y82.2Confident87.9Confident177 Ų17779 Ų7969%0.69437%0.366SS*.SBendtrans-73.4-49.1-179.3-60.1-71.1000112.7R168R168-Y170 HydrophobicContact CB-CE2 4.3Å; R168-Y170 PolarHBondContact O-N 2.79Å
171Q85.6Confident88.2Confident76 Ų7678.3 Ų78.336%0.35537%0.368SS..SBendtrans-94.2-13.9-175.3-63.3-177.77.800113.1R202 R203Q171-R202 WeakPolarHBondContact O-CG 3.04Å; Q171-R202 VanDerWaalsContact OE1-NH1 3.09Å; Q171-R203 PolarHBondContact O-N 3.09Å
172F91.3Very high88.4Confident3 Ų379.7 Ų79.71%0.01337%0.373CS..EExtended strand (participates in β ladder)trans-120159.1-174.2-68.7-85.5000111.2V36 H134 L169 L200 S201 R202 R203V36-F172 HydrophobicContact CB-CD2 3.82Å; V36-F172 HydrophobicContact CB-CE2 3.61Å; V36-F172 HydrophobicContact CB-CZ 4.49Å; V36-F172 HydrophobicContact CG1-CD2 4.4Å; V36-F172 HydrophobicContact CG1-CE2 3.78Å; V36-F172 HydrophobicContact CG1-CZ 4.22Å; V36-F172 HydrophobicContact CG2-CD2 3.87Å; V36-F172 HydrophobicContact CG2-CE2 4.11Å; H134-F172 AromaticContact CD2-CE1 3.83Å; L169-F172 WeakPolarHBondContact CB-O 3.33Å; L169-F172 HydrophobicContact CD2-CB 4.31Å; F172-L200 HydrophobicContact CB-CB 4.41Å; F172-L200 HydrophobicContact CD1-CB 4.05Å; F172-L200 HydrophobicContact CG-CB 4.46Å; F172-S201 CarbonylContact C-O 3.44Å; F172-S201 WeakPolarHBondContact CA-O 3.37Å; F172-R202 HydrophobicContact CD1-CB 4.22Å; F172-R202 HydrophobicContact CE1-CB 4.11Å; F172-R202 VanDerWaalsContact CZ-NH2 3.26Å; F172-R203 PolarHBondContact O-NE 3.26Å
173A91.4Very high88.7Confident29 Ų2984.3 Ų84.324%0.2439%0.392CS..EExtended strand (participates in β ladder)trans-119.8136.1168.600000107.7V175 L200 S201 R203A173-V175 PolarHBondContact O-N 3.33Å; A173-L200 WeakPolarHBondContact O-CA 3.47Å; A173-S201 PolarHBondContact N-O 3.45Å; A173-S201 PolarHBondContact O-N 3.41Å; A173-R203 HydrophobicContact CB-CG 4.35Å
174F92.6Very high89.1Confident34 Ų3481.8 Ų81.815%0.14938%0.382CS..EExtended strand (participates in β ladder)trans-76.6122.6172.8175.6-104.5000109I33 Q164 W167 L169 G176 M177 F198 L200I33-F174 HydrophobicContact CD1-CD2 4.31Å; Q164-F174 HydrophobicContact CG-CD1 4.48Å; W167-F174 HydrophobicContact CE3-CB 4.11Å; W167-F174 HydrophobicContact CE3-CG 4.39Å; W167-F174 HydrophobicContact CH2-CD1 4.41Å; W167-F174 HydrophobicContact CH2-CD2 4.2Å; W167-F174 HydrophobicContact CH2-CE2 4.37Å; W167-F174 HydrophobicContact CH2-CG 4.21Å; W167-F174 HydrophobicContact CZ3-CB 3.69Å; W167-F174 HydrophobicContact CZ3-CD1 4.03Å; W167-F174 AromaticContact CZ3-CD2 3.67Å; W167-F174 HydrophobicContact CZ3-CD2 3.67Å; W167-F174 HydrophobicContact CZ3-CE2 4.27Å; W167-F174 AromaticContact CZ3-CG 3.51Å; W167-F174 HydrophobicContact CZ3-CG 3.51Å; L169-F174 HydrophobicContact CD1-CB 4.08Å; F174-G176 WeakPolarHBondContact CE2-O 3.24Å; F174-G176 WeakPolarHBondContact CZ-O 3.32Å; F174-M177 HydrophobicContact CE2-CB 4.14Å; F174-M177 HydrophobicContact CZ-CB 3.94Å; F174-M177 HydrophobicContact CZ-CG 4.09Å; F174-F198 HydrophobicContact CE2-CD1 4.15Å; F174-L200 HydrophobicContact CB-CD2 4.5Å; F174-L200 HydrophobicContact CD2-CD2 4.26Å
175V92Very high89.8Confident94 Ų9483.5 Ų83.557%0.5739%0.389SS*.EExtended strand (participates in β ladder)trans-99.9-45.6-178.1-1790000110.3A173 D199A173-V175 PolarHBondContact O-N 3.33Å; V175-D199 HydrophobicContact CB-CB 4.4Å; V175-D199 PolarHBondContact N-O 3.25Å
176G92.2Very high90.5Very high21 Ų2175.4 Ų75.422%0.21636%0.364CS..EExtended strand (participates in β ladder)trans-174.5-178.4-173.600000112.5F174 D199F174-G176 WeakPolarHBondContact CE2-O 3.24Å; F174-G176 WeakPolarHBondContact CZ-O 3.32Å; G176-D199 WeakPolarHBondContact O-CB 3.25Å; G176-D199 PolarHBondContact O-N 2.9Å
177M93Very high91.1Very high59 Ų5976.9 Ų76.929%0.29138%0.377SS..EExtended strand (participates in β ladder)trans-152.4153.1178.664.8168-7100111.6V159 V161 F174 I196 F197 F198V159-M177 HydrophobicContact CB-CE 3.32Å; V159-M177 HydrophobicContact CB-SD 4.32Å; V159-M177 HydrophobicContact CG1-CE 3.38Å; V159-M177 HydrophobicContact CG1-SD 4.05Å; V159-M177 HydrophobicContact CG2-CE 3.78Å; V161-M177 HydrophobicContact CG2-SD 3.53Å; V161-M177 VanDerWaalsContact CG2-SD 3.53Å; F174-M177 HydrophobicContact CE2-CB 4.14Å; F174-M177 HydrophobicContact CZ-CB 3.94Å; F174-M177 HydrophobicContact CZ-CG 4.09Å; M177-I196 HydrophobicContact CE-CG2 3.75Å; M177-F197 CarbonylContact C-O 3.46Å; M177-F197 WeakPolarHBondContact CA-O 3.39Å; M177-F197 WeakPolarHBondContact CB-O 3.5Å; M177-F198 HydrophobicContact CB-CD1 4.36Å
178R94.4Very high91.3Very high112 Ų11280.4 Ų80.442%0.42341%0.405SS..EExtended strand (participates in β ladder)trans-141.2148.9179.257.5177.9-174.9-108.26.1110.4S135 I196 F197 D199S135-R178 PolarHBondContact OG-NH1 2.81Å; S135-R178 VanDerWaalsContact OG-NH1 3.12Å; S135-R178 PolarHBondContact OG-NH2 2.73Å; R178-I196 CarbonylContact O-C 3.57Å; R178-I196 WeakPolarHBondContact O-CA 3.5Å; R178-F197 HydrophobicContact CG-CB 3.58Å; R178-F197 HydrophobicContact CG-CD2 3.85Å; R178-F197 HydrophobicContact CG-CG 4.11Å; R178-F197 PolarHBondContact N-O 3.31Å; R178-F197 PolarHBondContact O-N 2.9Å; R178-D199 IonicContact CZ-OD1 3.34Å; R178-D199 IonicContact NH1-OD1 3.87Å; R178-D199 PolarHBondContact NH1-OD1 2.9Å; R178-D199 IonicContact NH1-OD2 2.99Å; R178-D199 PolarHBondContact NH1-OD2 3.39Å
179N94.6Very high91.9Very high78 Ų7873.7 Ų73.742%0.41739%0.386SS..EExtended strand (participates in β ladder)trans-115.4147.2174.361.5-10.9000110.8W154 T195W154-N179 HydrophobicContact CD2-CB 4.47Å; W154-N179 HydrophobicContact CZ2-CB 3.93Å; N179-T195 WeakPolarHBondContact CA-O 3.38Å
180T95.1Very high92.4Very high42 Ų4277.2 Ų77.226%0.25840%0.402SS..EExtended strand (participates in β ladder)trans-140.3163.3174.1-1770000109.8W154 D182 T195 F197W154-T180 PolarHBondContact NE1-O 2.96Å; T180-D182 WeakPolarHBondContact CG2-OD2 3.48Å; T180-D182 PolarHBondContact OG1-OD1 3.5Å; T180-T195 HydrophobicContact CG2-CG2 4.3Å; T180-T195 PolarHBondContact N-O 2.85Å; T180-T195 PolarHBondContact O-N 2.9Å; T180-T195 VanDerWaalsContact O-N 3.08Å; T180-F197 HydrophobicContact CG2-CD2 4.33Å; T180-F197 HydrophobicContact CG2-CE2 3.61Å
181T96.3Very high93.1Very high65 Ų6569.5 Ų69.540%0.39937%0.372SS..EExtended strand (participates in β ladder)trans-132.4118.2173.4-60.40000107.3W154 V192 I193 M194W154-T181 PolarHBondContact NE1-OG1 3.08Å; W154-T181 VanDerWaalsContact NE1-OG1 3.11Å; T181-V192 HydrophobicContact CG2-CG1 3.74Å; T181-I193 WeakPolarHBondContact CA-O 3.38Å; T181-M194 HydrophobicContact CG2-SD 3.7Å; T181-M194 PolarHBondContact OG1-SD 3.18Å
182D95Very high93.6Very high76 Ų7666.1 Ų66.141%0.40636%0.357SS..EExtended strand (participates in β ladder)trans-122.6163.1-176-59.7-50.4000110.1T180 I193T180-D182 WeakPolarHBondContact CG2-OD2 3.48Å; T180-D182 PolarHBondContact OG1-OD1 3.5Å; D182-I193 PolarHBondContact N-O 3.15Å; D182-I193 PolarHBondContact O-N 3.21Å
183E94.4Very high93.8Very high115 Ų11566.4 Ų66.454%0.53736%0.358SS..EExtended strand (participates in β ladder)trans-118.6125.2176.1-62.2-175.6177.200109.1K147 Y191K147-E183 WeakPolarHBondContact CE-OE1 3.28Å; K147-E183 IonicContact NZ-OE1 3.76Å; K147-E183 PolarHBondContact NZ-OE1 3.09Å; K147-E183 IonicContact NZ-OE2 3.4Å; K147-E183 PolarHBondContact NZ-OE2 3.21Å; E183-Y191 WeakPolarHBondContact CA-O 3.27Å
184A91.6Very high94.1Very high24 Ų2465 Ų6520%0.19835%0.347CS..EExtended strand (participates in β ladder)trans-113.2135.6175.500000111.5E190 Y191 I193A184-E190 WeakPolarHBondContact O-CA 3.28Å; A184-Y191 PolarHBondContact N-O 3.45Å; A184-Y191 PolarHBondContact O-N 2.72Å; A184-I193 HydrophobicContact CB-CD1 3.26Å; A184-I193 HydrophobicContact CB-CG1 4.27Å
185H94.2Very high94.3Very high149 Ų14963.5 Ų63.569%0.6934%0.34SS*.EExtended strand (participates in β ladder)trans-86.8127.6169.5-168.180.8000109.9E190H185-E190 IonicContact ND1-OE1 3.51Å
186T92.1Very high94.5Very high43 Ų4359 Ų5926%0.26431%0.313SS..EExtended strand (participates in β ladder)trans-128.2169.417570.80000109.4S188 G189 Y191T186-S188 PolarHBondContact O-N 2.93Å; T186-G189 PolarHBondContact N-O 2.74Å; T186-G189 PolarHBondContact O-N 2.7Å; T186-G189 VanDerWaalsContact O-N 3.08Å; T186-G189 PolarHBondContact OG1-O 3.26Å; T186-Y191 HydrophobicContact CG2-CD2 4.22Å; T186-Y191 WeakPolarHBondContact OG1-CD2 3.35Å; T186-Y191 WeakPolarHBondContact OG1-CE2 3.48Å
187Q91.5Very high94.7Very high208 Ų20860.4 Ų60.497%0.97231%0.313SS*.THydrogen-bonded Turntrans-58-31.1177.9-64.2-177.7-0.600113.1
188S90.9Very high94.9Very high99 Ų9957.6 Ų57.669%0.69230%0.3SS*.THydrogen-bonded Turntrans-83.2-12.9-179.1-52.90000113.5T186 Y191T186-S188 PolarHBondContact O-N 2.93Å; S188-Y191 WeakPolarHBondContact CB-OH 3.39Å
189G93.9Very high94.9Very high21 Ų2154.1 Ų54.122%0.21629%0.289CS..EExtended strand (participates in β ladder)trans140.1-171.6-176.700000113.5T186 Y191T186-G189 PolarHBondContact N-O 2.74Å; T186-G189 PolarHBondContact O-N 2.7Å; T186-G189 VanDerWaalsContact O-N 3.08Å; T186-G189 PolarHBondContact OG1-O 3.26Å; G189-Y191 VanDerWaalsContact O-CD2 3.29Å; G189-Y191 WeakPolarHBondContact O-CD2 3.4Å; G189-Y191 WeakPolarHBondContact O-CE2 3.36Å
190E96Very high94.9Very high96 Ų9650.6 Ų50.645%0.44927%0.27SS..EExtended strand (participates in β ladder)trans-91.8131.8177-66.7179.5176.300111P146 K147 A184 H185P146-E190 CarbonylContact C-O 3.56Å; P146-E190 WeakPolarHBondContact CA-O 3.43Å; P146-E190 WeakPolarHBondContact CB-O 3.46Å; K147-E190 WeakPolarHBondContact CB-O 2.98Å; K147-E190 PolarHBondContact N-O 3.24Å; A184-E190 WeakPolarHBondContact O-CA 3.28Å; H185-E190 IonicContact ND1-OE1 3.51Å
191Y96.3Very high94.8Very high16 Ų1650 Ų506%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-125.2140.8-177.7-67.1-98000110.9S142 Y145 E183 A184 T186 S188 G189S142-Y191 WeakPolarHBondContact O-CD1 3.21Å; Y145-Y191 VanDerWaalsContact C-CE1 3.5Å; Y145-Y191 VanDerWaalsContact O-CD1 3.29Å; Y145-Y191 WeakPolarHBondContact O-CD1 3.37Å; Y145-Y191 VanDerWaalsContact O-CE1 3.24Å; Y145-Y191 WeakPolarHBondContact O-CE1 3.22Å; E183-Y191 WeakPolarHBondContact CA-O 3.27Å; A184-Y191 PolarHBondContact N-O 3.45Å; A184-Y191 PolarHBondContact O-N 2.72Å; T186-Y191 HydrophobicContact CG2-CD2 4.22Å; T186-Y191 WeakPolarHBondContact OG1-CD2 3.35Å; T186-Y191 WeakPolarHBondContact OG1-CE2 3.48Å; S188-Y191 WeakPolarHBondContact CB-OH 3.39Å; G189-Y191 VanDerWaalsContact O-CD2 3.29Å; G189-Y191 WeakPolarHBondContact O-CD2 3.4Å; G189-Y191 WeakPolarHBondContact O-CE2 3.36Å
192V96.2Very high94.7Very high5 Ų547.6 Ų47.63%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-81.8122.9171.3-178.60000108.7S141 K147 T151 T181 M194S141-V192 WeakPolarHBondContact CB-O 3.42Å; K147-V192 HydrophobicContact CB-CG2 4.08Å; K147-V192 HydrophobicContact CD-CG2 4.26Å; K147-V192 HydrophobicContact CG-CG2 3.81Å; T151-V192 HydrophobicContact CG2-CG2 4.39Å; T181-V192 HydrophobicContact CG2-CG1 3.74Å; V192-M194 HydrophobicContact CG1-SD 4.5Å
193I96.9Very high94.5Very high9 Ų951.1 Ų51.15%0.04626%0.259CS..EExtended strand (participates in β ladder)trans-108.3132.3178-58.6165.7000108.9E139 T181 D182 A184E139-I193 HydrophobicContact CB-CG2 4.21Å; T181-I193 WeakPolarHBondContact CA-O 3.38Å; D182-I193 PolarHBondContact N-O 3.15Å; D182-I193 PolarHBondContact O-N 3.21Å; A184-I193 HydrophobicContact CB-CD1 3.26Å; A184-I193 HydrophobicContact CB-CG1 4.27Å
194M96.9Very high94.3Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-107.2125.6174-58.5-69.1-83.900107.8E139 F140 Y152 W154 T181 V192E139-M194 WeakPolarHBondContact CA-O 3.26Å; F140-M194 HydrophobicContact CD1-CB 4.21Å; F140-M194 HydrophobicContact CD2-CB 3.88Å; F140-M194 HydrophobicContact CD2-CG 4.28Å; F140-M194 HydrophobicContact CE1-CB 3.76Å; F140-M194 HydrophobicContact CE2-CB 3.37Å; F140-M194 HydrophobicContact CE2-CG 3.65Å; F140-M194 HydrophobicContact CG-CB 4.28Å; F140-M194 HydrophobicContact CZ-CB 3.31Å; F140-M194 HydrophobicContact CZ-CG 3.98Å; F140-M194 PolarHBondContact N-O 3.14Å; F140-M194 PolarHBondContact O-N 3.37Å; Y152-M194 VanDerWaalsContact CB-CG 3.46Å; Y152-M194 HydrophobicContact CG-CG 4.06Å; W154-M194 HydrophobicContact CB-CE 4.38Å; W154-M194 HydrophobicContact CD2-CE 3.25Å; W154-M194 HydrophobicContact CE3-CE 3.77Å; W154-M194 HydrophobicContact CG-CE 3.53Å; W154-M194 HydrophobicContact CH2-CB 4.07Å; W154-M194 HydrophobicContact CH2-CE 4.21Å; W154-M194 HydrophobicContact CZ2-CB 3.8Å; W154-M194 HydrophobicContact CZ2-CE 3.75Å; W154-M194 HydrophobicContact CZ2-SD 4.41Å; W154-M194 HydrophobicContact CZ3-CE 4.23Å; T181-M194 HydrophobicContact CG2-SD 3.7Å; T181-M194 PolarHBondContact OG1-SD 3.18Å; V192-M194 HydrophobicContact CG1-SD 4.5Å
195T97.1Very high94.2Very high2 Ų248.8 Ų48.81%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-125.6133.5-176.9-51.80000110.5P137 L138 E139 N179 T180 F197P137-T195 HydrophobicContact CB-CG2 3.86Å; L138-T195 WeakPolarHBondContact O-CA 3.43Å; E139-T195 HydrophobicContact CG-CG2 3.86Å; N179-T195 WeakPolarHBondContact CA-O 3.38Å; T180-T195 HydrophobicContact CG2-CG2 4.3Å; T180-T195 PolarHBondContact N-O 2.85Å; T180-T195 PolarHBondContact O-N 2.9Å; T180-T195 VanDerWaalsContact O-N 3.08Å; T195-F197 HydrophobicContact CG2-CD2 4.11Å; T195-F197 HydrophobicContact CG2-CE1 4.2Å; T195-F197 HydrophobicContact CG2-CE2 3.74Å; T195-F197 HydrophobicContact CG2-CZ 3.78Å
196I96.8Very high94.1Very high0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-113.4122170.3-54167.9000107.1V28 P137 L138 F140 W154 V159 M177 R178 F198V28-I196 HydrophobicContact CB-CD1 4.08Å; V28-I196 HydrophobicContact CG1-CD1 4.31Å; V28-I196 HydrophobicContact CG2-CD1 3.77Å; P137-I196 CarbonylContact C-O 3.21Å; P137-I196 WeakPolarHBondContact CA-O 3.26Å; L138-I196 HydrophobicContact CB-CB 4.5Å; L138-I196 PolarHBondContact N-O 2.78Å; L138-I196 PolarHBondContact O-N 2.87Å; F140-I196 HydrophobicContact CE1-CD1 4.44Å; W154-I196 HydrophobicContact CH2-CD1 3.85Å; W154-I196 HydrophobicContact CH2-CG1 3.5Å; W154-I196 VanDerWaalsContact CH2-CG1 3.5Å; W154-I196 HydrophobicContact CZ2-CG1 4.16Å; W154-I196 HydrophobicContact CZ3-CD1 4.24Å; W154-I196 HydrophobicContact CZ3-CG1 4.29Å; V159-I196 HydrophobicContact CG1-CD1 4.45Å; V159-I196 HydrophobicContact CG2-CD1 3.62Å; V159-I196 HydrophobicContact CG2-CG1 4.02Å; V159-I196 HydrophobicContact CG2-CG2 4.43Å; M177-I196 HydrophobicContact CE-CG2 3.75Å; R178-I196 CarbonylContact O-C 3.57Å; R178-I196 WeakPolarHBondContact O-CA 3.5Å; I196-F198 HydrophobicContact CB-CE2 4.24Å; I196-F198 HydrophobicContact CB-CZ 4.27Å; I196-F198 HydrophobicContact CG2-CD2 4.48Å; I196-F198 HydrophobicContact CG2-CE1 3.9Å; I196-F198 HydrophobicContact CG2-CE2 3.87Å; I196-F198 HydrophobicContact CG2-CZ 3.55Å
197F96.4Very high94Very high49 Ų4945.8 Ų45.822%0.21524%0.235CC..EExtended strand (participates in β ladder)trans-97.4133.2170.9-60.1-89.8000110.2C136 P137 M177 R178 T180 T195C136-F197 WeakPolarHBondContact O-CA 3.35Å; P137-F197 HydrophobicContact CB-CD1 3.91Å; P137-F197 HydrophobicContact CB-CE1 3.81Å; M177-F197 CarbonylContact C-O 3.46Å; M177-F197 WeakPolarHBondContact CA-O 3.39Å; M177-F197 WeakPolarHBondContact CB-O 3.5Å; R178-F197 HydrophobicContact CG-CB 3.58Å; R178-F197 HydrophobicContact CG-CD2 3.85Å; R178-F197 HydrophobicContact CG-CG 4.11Å; R178-F197 PolarHBondContact N-O 3.31Å; R178-F197 PolarHBondContact O-N 2.9Å; T180-F197 HydrophobicContact CG2-CD2 4.33Å; T180-F197 HydrophobicContact CG2-CE2 3.61Å; T195-F197 HydrophobicContact CG2-CD2 4.11Å; T195-F197 HydrophobicContact CG2-CE1 4.2Å; T195-F197 HydrophobicContact CG2-CE2 3.74Å; T195-F197 HydrophobicContact CG2-CZ 3.78Å
198F95.6Very high94.1Very high1 Ų137.8 Ų37.80%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-106.2116.2172.6-60-77.4000109V30 I33 Y43 I45 S135 C136 L138 F174 M177 I196V30-F198 HydrophobicContact CG2-CE1 4Å; V30-F198 HydrophobicContact CG2-CZ 4.07Å; I33-F198 HydrophobicContact CD1-CB 4.29Å; I33-F198 HydrophobicContact CD1-CD1 3.78Å; I33-F198 HydrophobicContact CD1-CE1 4.33Å; I33-F198 HydrophobicContact CD1-CG 4.05Å; Y43-F198 HydrophobicContact CE2-CD2 4.39Å; I45-F198 HydrophobicContact CD1-CE1 4.35Å; I45-F198 HydrophobicContact CD1-CE2 3.72Å; I45-F198 HydrophobicContact CD1-CZ 3.6Å; S135-F198 CarbonylContact C-O 3.43Å; S135-F198 WeakPolarHBondContact CA-O 3.47Å; C136-F198 PolarHBondContact N-O 2.81Å; C136-F198 PolarHBondContact O-N 3.19Å; L138-F198 HydrophobicContact CB-CE2 3.95Å; L138-F198 HydrophobicContact CD2-CE2 4.37Å; F174-F198 HydrophobicContact CE2-CD1 4.15Å; M177-F198 HydrophobicContact CB-CD1 4.36Å; I196-F198 HydrophobicContact CB-CE2 4.24Å; I196-F198 HydrophobicContact CB-CZ 4.27Å; I196-F198 HydrophobicContact CG2-CD2 4.48Å; I196-F198 HydrophobicContact CG2-CE1 3.9Å; I196-F198 HydrophobicContact CG2-CE2 3.87Å; I196-F198 HydrophobicContact CG2-CZ 3.55Å
199D95.5Very high94.1Very high38 Ų3839 Ų3920%0.20320%0.198CC..EExtended strand (participates in β ladder)trans-87115.9179.2-62.8-38.2000109.2H134 S135 V175 G176 R178H134-D199 WeakPolarHBondContact O-CA 3.5Å; S135-D199 VanDerWaalsContact CB-OD1 3.25Å; S135-D199 WeakPolarHBondContact CB-OD1 3.41Å; S135-D199 PolarHBondContact OG-OD1 3.34Å; V175-D199 HydrophobicContact CB-CB 4.4Å; V175-D199 PolarHBondContact N-O 3.25Å; G176-D199 WeakPolarHBondContact O-CB 3.25Å; G176-D199 PolarHBondContact O-N 2.9Å; R178-D199 IonicContact CZ-OD1 3.34Å; R178-D199 IonicContact NH1-OD1 3.87Å; R178-D199 PolarHBondContact NH1-OD1 2.9Å; R178-D199 IonicContact NH1-OD2 2.99Å; R178-D199 PolarHBondContact NH1-OD2 3.39Å
200L94.3Very high93.9Very high4 Ų441.6 Ų41.62%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-121.2123-174.5-58.8178.1000109.4V36 H134 L169 F172 A173 F174V36-L200 HydrophobicContact CG2-CD1 3.91Å; H134-L200 PolarHBondContact N-O 3.4Å; H134-L200 PolarHBondContact O-N 2.95Å; L169-L200 HydrophobicContact CD1-CD2 4.18Å; F172-L200 HydrophobicContact CB-CB 4.41Å; F172-L200 HydrophobicContact CD1-CB 4.05Å; F172-L200 HydrophobicContact CG-CB 4.46Å; A173-L200 WeakPolarHBondContact O-CA 3.47Å; F174-L200 HydrophobicContact CB-CD2 4.5Å; F174-L200 HydrophobicContact CD2-CD2 4.26Å
201S93.5Very high93.7Very high30 Ų3037.1 Ų37.121%0.2118%0.184CC..EExtended strand (participates in β ladder)trans-108.5138.9175.5179.20000110.2F172 A173F172-S201 CarbonylContact C-O 3.44Å; F172-S201 WeakPolarHBondContact CA-O 3.37Å; A173-S201 PolarHBondContact N-O 3.45Å; A173-S201 PolarHBondContact O-N 3.41Å
202R92.9Very high93.6Very high14 Ų1436.6 Ų36.65%0.05318%0.182CC..EExtended strand (participates in β ladder)trans-77.8138.4-176.6-169.9177.1-59.8-88.84.2112.2F129 P130 D132 Q171 F172 M204F129-R202 VanDerWaalsContact CE2-CZ 3.47Å; P130-R202 WeakPolarHBondContact O-CD 3.28Å; D132-R202 PolarHBondContact O-N 2.54Å; D132-R202 VanDerWaalsContact OD1-CD 3.26Å; D132-R202 WeakPolarHBondContact OD1-CD 3.43Å; D132-R202 IonicContact OD1-CZ 2.72Å; D132-R202 IonicContact OD1-NE 3.86Å; D132-R202 PolarHBondContact OD1-NE 3.12Å; D132-R202 IonicContact OD1-NH2 3.98Å; D132-R202 IonicContact OD2-CZ 3.26Å; D132-R202 IonicContact OD2-NE 2.93Å; D132-R202 PolarHBondContact OD2-NE 2.99Å; D132-R202 IonicContact OD2-NH2 2.7Å; D132-R202 PolarHBondContact OD2-NH2 2.97Å; Q171-R202 WeakPolarHBondContact O-CG 3.04Å; Q171-R202 VanDerWaalsContact OE1-NH1 3.09Å; F172-R202 HydrophobicContact CD1-CB 4.22Å; F172-R202 HydrophobicContact CE1-CB 4.11Å; F172-R202 VanDerWaalsContact CZ-NH2 3.26Å; R202-M204 PolarHBondContact O-N 2.97Å
203R91.3Very high93.6Very high150 Ų15040.2 Ų40.257%0.56620%0.2SC*.  trans-80.8115.8170.6-63.6179.5-177.3-120.80.4110.2Q171 F172 A173 G205Q171-R203 PolarHBondContact O-N 3.09Å; F172-R203 PolarHBondContact O-NE 3.26Å; A173-R203 HydrophobicContact CB-CG 4.35Å; R203-G205 PolarHBondContact O-N 3.24Å
204M90.5Very high93.5Very high46 Ų4641.7 Ų41.723%0.22721%0.21CC..  trans-78.1-16.5-172.8-158.5-155.8148.400115.1P130 M131 R202 Y206 F207 T208 Y212 W393P130-M204 HydrophobicContact CG-CG 4.31Å; M131-M204 HydrophobicContact CE-CE 3.64Å; M131-M204 HydrophobicContact CE-SD 3.93Å; R202-M204 PolarHBondContact O-N 2.97Å; M204-Y206 PolarHBondContact O-N 3.4Å; M204-F207 PolarHBondContact O-N 3.01Å; M204-T208 VanDerWaalsContact CE-OG1 3.26Å; M204-T208 WeakPolarHBondContact CE-OG1 3.39Å; M204-T208 PolarHBondContact O-N 3.46Å; M204-T208 VanDerWaalsContact O-N 3.09Å; M204-T208 PolarHBondContact O-OG1 3.35Å; M204-Y212 HydrophobicContact CE-CD2 3.96Å; M204-Y212 HydrophobicContact CE-CE2 3.89Å; M204-W393 HydrophobicContact CE-CH2 3.23Å; M204-W393 HydrophobicContact CE-CZ3 3.23Å; M204-W393 HydrophobicContact SD-CZ3 4.05Å
205G89.8Confident93.4Very high44 Ų4441.7 Ų41.745%0.45421%0.21SC..Hα-helixtrans-57.8-40.5-168.100000115.1R203 T208 I209R203-G205 PolarHBondContact O-N 3.24Å; G205-T208 WeakPolarHBondContact O-CB 3.37Å; G205-T208 PolarHBondContact O-N 2.89Å; G205-I209 PolarHBondContact O-N 3.42Å
206Y90.9Very high93.4Very high126 Ų12643.1 Ų43.149%0.49422%0.22SC..Hα-helixtrans-62.5-48.9179.2174.4-98.6000112.4M204 T208 I209 Q210M204-Y206 PolarHBondContact O-N 3.4Å; Y206-T208 VanDerWaalsContact C-N 3.29Å; Y206-T208 PolarHBondContact O-N 2.81Å; Y206-I209 PolarHBondContact O-N 2.99Å; Y206-Q210 WeakPolarHBondContact O-CB 3.16Å; Y206-Q210 PolarHBondContact O-N 3.29Å; Y206-Q210 VanDerWaalsContact OH-CD 3.25Å; Y206-Q210 PolarHBondContact OH-NE2 3.06Å; Y206-Q210 PolarHBondContact OH-OE1 3.39Å
207F91.4Very high93.3Very high4 Ų448.8 Ų48.82%0.01825%0.248CC..Hα-helixtrans-68.3-30.4-179.7-61.1-75.2000112.4F129 P130 M204 T211 Y212 M267F129-F207 HydrophobicContact CE1-CD1 4.21Å; F129-F207 AromaticContact CE1-CE1 3.93Å; F129-F207 HydrophobicContact CE1-CE1 3.93Å; F129-F207 HydrophobicContact CE1-CZ 4.32Å; F129-F207 HydrophobicContact CE2-CE1 4.35Å; F129-F207 HydrophobicContact CE2-CE2 4.36Å; F129-F207 AromaticContact CE2-CZ 3.93Å; F129-F207 HydrophobicContact CE2-CZ 3.93Å; F129-F207 HydrophobicContact CZ-CD1 4.04Å; F129-F207 AromaticContact CZ-CE1 3.36Å; F129-F207 HydrophobicContact CZ-CE1 3.36Å; F129-F207 HydrophobicContact CZ-CE2 4.07Å; F129-F207 AromaticContact CZ-CZ 3.38Å; F129-F207 HydrophobicContact CZ-CZ 3.38Å; P130-F207 HydrophobicContact CB-CB 4.19Å; P130-F207 HydrophobicContact CB-CD2 3.48Å; P130-F207 VanDerWaalsContact CB-CD2 3.48Å; P130-F207 HydrophobicContact CB-CE2 3.99Å; P130-F207 HydrophobicContact CB-CG 3.8Å; P130-F207 HydrophobicContact CG-CB 3.82Å; P130-F207 HydrophobicContact CG-CD2 4.08Å; P130-F207 HydrophobicContact CG-CG 3.98Å; M204-F207 PolarHBondContact O-N 3.01Å; F207-T211 WeakPolarHBondContact O-CA 3.49Å; F207-T211 WeakPolarHBondContact O-CB 3.37Å; F207-T211 PolarHBondContact O-N 3.33Å; F207-Y212 HydrophobicContact CB-CE2 4.4Å; F207-Y212 WeakPolarHBondContact O-CD2 3.41Å; F207-Y212 PolarHBondContact O-N 2.82Å; F207-Y212 VanDerWaalsContact O-N 3.15Å; F207-M267 HydrophobicContact CD1-CE 4.18Å; F207-M267 HydrophobicContact CD1-SD 4Å
208T92.1Very high93.2Very high40 Ų4047.2 Ų47.225%0.24524%0.242CC..Iπ-helixtrans-59.5-51.7173.8-53.50000111M204 G205 Y206 Y212 I213M204-T208 VanDerWaalsContact CE-OG1 3.26Å; M204-T208 WeakPolarHBondContact CE-OG1 3.39Å; M204-T208 PolarHBondContact O-N 3.46Å; M204-T208 VanDerWaalsContact O-N 3.09Å; M204-T208 PolarHBondContact O-OG1 3.35Å; G205-T208 WeakPolarHBondContact O-CB 3.37Å; G205-T208 PolarHBondContact O-N 2.89Å; Y206-T208 VanDerWaalsContact C-N 3.29Å; Y206-T208 PolarHBondContact O-N 2.81Å; T208-Y212 PolarHBondContact O-N 3.27Å; T208-I213 HydrophobicContact CG2-CD1 4.17Å; T208-I213 HydrophobicContact CG2-CG1 4.32Å; T208-I213 WeakPolarHBondContact O-CG1 3.46Å; T208-I213 PolarHBondContact O-N 2.93Å
209I92.1Very high93.3Very high123 Ų12347.1 Ų47.163%0.63124%0.242SC*.Iπ-helixtrans-73.7-39.1-176.1-62.8169.9000111.5G205 Y206 P214G205-I209 PolarHBondContact O-N 3.42Å; Y206-I209 PolarHBondContact O-N 2.99Å; I209-P214 WeakPolarHBondContact O-CD 3.35Å; I209-P214 WeakPolarHBondContact O-CG 3.27Å
210Q90Very high93.3Very high76 Ų7648.8 Ų48.836%0.35525%0.253SS..Iπ-helixtrans-85.8-28.8-173.6-163.4-177.839.700113.9Y206Y206-Q210 WeakPolarHBondContact O-CB 3.16Å; Y206-Q210 PolarHBondContact O-N 3.29Å; Y206-Q210 VanDerWaalsContact OH-CD 3.25Å; Y206-Q210 PolarHBondContact OH-NE2 3.06Å; Y206-Q210 PolarHBondContact OH-OE1 3.39Å
211T92.1Very high93.2Very high2 Ų253 Ų531%0.01228%0.275CS..Iπ-helixtrans-121.4-60.2-174.6-550000112.5F207 I213 P214 C215 M267 V271F207-T211 WeakPolarHBondContact O-CA 3.49Å; F207-T211 WeakPolarHBondContact O-CB 3.37Å; F207-T211 PolarHBondContact O-N 3.33Å; T211-I213 PolarHBondContact O-N 3.39Å; T211-P214 WeakPolarHBondContact O-CD 3.47Å; T211-C215 VanDerWaalsContact O-CB 3.26Å; T211-C215 WeakPolarHBondContact O-CB 3.24Å; T211-C215 PolarHBondContact O-N 3.27Å; T211-C215 PolarHBondContact O-SG 2.76Å; T211-M267 HydrophobicContact CG2-CE 3.84Å; T211-M267 HydrophobicContact CG2-CG 4.42Å; T211-M267 HydrophobicContact CG2-SD 4.37Å; T211-M267 WeakPolarHBondContact OG1-CE 3.27Å; T211-V271 HydrophobicContact CG2-CG2 3.9Å
212Y94.1Very high93.3Very high5 Ų551.7 Ų51.72%0.0227%0.265CS..Iπ-helixtrans-62.9-46-171-71.9-78.7000113.2P130 M204 F207 T208 S216 F270 Y392 W393P130-Y212 VanDerWaalsContact CD-OH 3.27Å; P130-Y212 WeakPolarHBondContact CD-OH 3.34Å; P130-Y212 HydrophobicContact CG-CE2 3.98Å; M204-Y212 HydrophobicContact CE-CD2 3.96Å; M204-Y212 HydrophobicContact CE-CE2 3.89Å; F207-Y212 HydrophobicContact CB-CE2 4.4Å; F207-Y212 WeakPolarHBondContact O-CD2 3.41Å; F207-Y212 PolarHBondContact O-N 2.82Å; F207-Y212 VanDerWaalsContact O-N 3.15Å; T208-Y212 PolarHBondContact O-N 3.27Å; Y212-S216 WeakPolarHBondContact O-CB 3.49Å; Y212-S216 PolarHBondContact O-N 3.04Å; Y212-S216 PolarHBondContact O-OG 2.99Å; Y212-F270 AromaticContact CD1-CD1 3.51Å; Y212-F270 HydrophobicContact CD1-CD1 3.51Å; Y212-F270 AromaticContact CD1-CD2 3.94Å; Y212-F270 HydrophobicContact CD1-CD2 3.94Å; Y212-F270 AromaticContact CD1-CE1 3.56Å; Y212-F270 HydrophobicContact CD1-CE1 3.56Å; Y212-F270 AromaticContact CD1-CE2 3.99Å; Y212-F270 HydrophobicContact CD1-CE2 3.99Å; Y212-F270 AromaticContact CD1-CG 3.72Å; Y212-F270 HydrophobicContact CD1-CG 3.72Å; Y212-F270 AromaticContact CD1-CZ 3.81Å; Y212-F270 HydrophobicContact CD1-CZ 3.81Å; Y212-F270 HydrophobicContact CE1-CB 3.88Å; Y212-F270 AromaticContact CE1-CD1 3.76Å; Y212-F270 HydrophobicContact CE1-CD1 3.76Å; Y212-F270 AromaticContact CE1-CD2 3.86Å; Y212-F270 HydrophobicContact CE1-CD2 3.86Å; Y212-F270 HydrophobicContact CE1-CE1 4.26Å; Y212-F270 HydrophobicContact CE1-CE2 4.36Å; Y212-F270 AromaticContact CE1-CG 3.54Å; Y212-F270 HydrophobicContact CE1-CG 3.54Å; Y212-F270 HydrophobicContact CG-CE1 4.44Å; Y212-Y392 AromaticContact CE1-CE1 3.8Å; Y212-Y392 HydrophobicContact CE1-CE1 3.8Å; Y212-Y392 AromaticContact CE1-CZ 3.98Å; Y212-Y392 WeakPolarHBondContact CE1-OH 3.3Å; Y212-Y392 PolarHBondContact OH-OH 3.03Å; Y212-W393 AromaticContact CD1-CH2 3.86Å; Y212-W393 HydrophobicContact CD1-CH2 3.86Å; Y212-W393 AromaticContact CD1-CZ2 3.8Å; Y212-W393 HydrophobicContact CD1-CZ2 3.8Å; Y212-W393 HydrophobicContact CD2-CH2 4.33Å; Y212-W393 AromaticContact CE1-CH2 3.99Å; Y212-W393 HydrophobicContact CE1-CH2 3.99Å; Y212-W393 HydrophobicContact CE1-CZ2 4.17Å; Y212-W393 HydrophobicContact CE2-CH2 4.43Å; Y212-W393 HydrophobicContact CG-CH2 4.06Å; Y212-W393 HydrophobicContact CG-CZ2 4.24Å
213I94.9Very high93.3Very high82 Ų8252.8 Ų52.842%0.42127%0.27SS..Hα-helixtrans-64.3-53.4178.9-69.3172.3000110.8T208 T211 C215 S216 M217T208-I213 HydrophobicContact CG2-CD1 4.17Å; T208-I213 HydrophobicContact CG2-CG1 4.32Å; T208-I213 WeakPolarHBondContact O-CG1 3.46Å; T208-I213 PolarHBondContact O-N 2.93Å; T211-I213 PolarHBondContact O-N 3.39Å; I213-C215 PolarHBondContact O-N 3.16Å; I213-S216 PolarHBondContact O-N 3.37Å; I213-M217 HydrophobicContact CG2-CG 4.37Å; I213-M217 HydrophobicContact CG2-SD 3.96Å; I213-M217 WeakPolarHBondContact O-CG 3.25Å; I213-M217 PolarHBondContact O-N 3.03Å
214P95.3Very high93.4Very high40 Ų4048.8 Ų48.826%0.2626%0.262SS..Hα-helixtrans-59-43.4177.7-28.537000114.1I209 T211 S216 M217 I218 L250I209-P214 WeakPolarHBondContact O-CD 3.35Å; I209-P214 WeakPolarHBondContact O-CG 3.27Å; T211-P214 WeakPolarHBondContact O-CD 3.47Å; P214-S216 VanDerWaalsContact C-N 3.35Å; P214-S216 PolarHBondContact O-N 3.06Å; P214-M217 PolarHBondContact O-N 2.76Å; P214-I218 WeakPolarHBondContact O-CD1 3.26Å; P214-I218 VanDerWaalsContact O-CG1 3.24Å; P214-I218 WeakPolarHBondContact O-CG1 3.43Å; P214-I218 PolarHBondContact O-N 2.92Å; P214-L250 HydrophobicContact CB-CD2 3.9Å
215C95.3Very high93.4Very high0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-57.5-47.4175.5-77.70000111.5T211 I213 M217 I218 V219 M247 L250 F270 C274T211-C215 VanDerWaalsContact O-CB 3.26Å; T211-C215 WeakPolarHBondContact O-CB 3.24Å; T211-C215 PolarHBondContact O-N 3.27Å; T211-C215 PolarHBondContact O-SG 2.76Å; I213-C215 PolarHBondContact O-N 3.16Å; C215-M217 VanDerWaalsContact C-N 3.35Å; C215-M217 PolarHBondContact O-N 3.06Å; C215-I218 PolarHBondContact O-N 3.23Å; C215-V219 WeakPolarHBondContact O-CG2 3.42Å; C215-V219 PolarHBondContact O-N 3.27Å; C215-M247 HydrophobicContact CB-CE 4.45Å; C215-L250 HydrophobicContact CB-CD2 4.31Å; C215-L250 WeakPolarHBondContact SG-CD2 3.19Å; C215-F270 HydrophobicContact CB-CD1 4.33Å; C215-F270 HydrophobicContact CB-CE1 3.76Å; C215-C274 HydrophobicContact CB-CB 4.44Å
216S95.7Very high93.4Very high31 Ų3144.9 Ų44.922%0.21723%0.232CC..Hα-helixtrans-63.8-41.5179.2-56.40000111.5Y212 I213 P214 I218 V219 V220Y212-S216 WeakPolarHBondContact O-CB 3.49Å; Y212-S216 PolarHBondContact O-N 3.04Å; Y212-S216 PolarHBondContact O-OG 2.99Å; I213-S216 PolarHBondContact O-N 3.37Å; P214-S216 VanDerWaalsContact C-N 3.35Å; P214-S216 PolarHBondContact O-N 3.06Å; S216-I218 PolarHBondContact O-N 3.46Å; S216-V219 PolarHBondContact O-N 2.75Å; S216-V220 WeakPolarHBondContact O-CG2 3.48Å; S216-V220 PolarHBondContact O-N 2.92Å
217M95.3Very high93.3Very high119 Ų11947.7 Ų47.759%0.58624%0.241SC*.Hα-helixtrans-62.9-40.7175.5-71.2-177.97500112.1I213 P214 C215 V219 V220 L221I213-M217 HydrophobicContact CG2-CG 4.37Å; I213-M217 HydrophobicContact CG2-SD 3.96Å; I213-M217 WeakPolarHBondContact O-CG 3.25Å; I213-M217 PolarHBondContact O-N 3.03Å; P214-M217 PolarHBondContact O-N 2.76Å; C215-M217 VanDerWaalsContact C-N 3.35Å; C215-M217 PolarHBondContact O-N 3.06Å; M217-V219 VanDerWaalsContact C-N 3.35Å; M217-V219 PolarHBondContact O-N 3.41Å; M217-V220 PolarHBondContact O-N 3.44Å; M217-L221 WeakPolarHBondContact O-CB 3.37Å; M217-L221 VanDerWaalsContact O-CG 3.28Å; M217-L221 WeakPolarHBondContact O-CG 3.39Å; M217-L221 PolarHBondContact O-N 3.15Å
218I95.6Very high93.3Very high16 Ų1649.6 Ų49.68%0.08225%0.252CS..Hα-helixtrans-64.3-40.4176.9-67.2161.8000111P214 C215 S216 L221 S222 T243 T246 L250 T278P214-I218 WeakPolarHBondContact O-CD1 3.26Å; P214-I218 VanDerWaalsContact O-CG1 3.24Å; P214-I218 WeakPolarHBondContact O-CG1 3.43Å; P214-I218 PolarHBondContact O-N 2.92Å; C215-I218 PolarHBondContact O-N 3.23Å; S216-I218 PolarHBondContact O-N 3.46Å; I218-L221 WeakPolarHBondContact O-CB 3.35Å; I218-L221 PolarHBondContact O-N 3.26Å; I218-S222 PolarHBondContact O-N 2.93Å; I218-T243 HydrophobicContact CG2-CG2 4.38Å; I218-T246 HydrophobicContact CD1-CG2 3.61Å; I218-T246 HydrophobicContact CG1-CG2 4.26Å; I218-L250 HydrophobicContact CD1-CD2 4.01Å; I218-T278 HydrophobicContact CG2-CG2 3.99Å
219V96.2Very high93Very high0 Ų052.6 Ų52.60%027%0.266CS..Hα-helixtrans-61.9-46.3174.41730000110.6C215 S216 M217 L221 S222 W223 C274 F277 T278 F385C215-V219 WeakPolarHBondContact O-CG2 3.42Å; C215-V219 PolarHBondContact O-N 3.27Å; S216-V219 PolarHBondContact O-N 2.75Å; M217-V219 VanDerWaalsContact C-N 3.35Å; M217-V219 PolarHBondContact O-N 3.41Å; V219-L221 VanDerWaalsContact C-N 3.33Å; V219-L221 PolarHBondContact O-N 2.95Å; V219-S222 WeakPolarHBondContact O-CB 3.21Å; V219-S222 PolarHBondContact O-N 3.06Å; V219-S222 VanDerWaalsContact O-N 3.13Å; V219-S222 PolarHBondContact O-OG 2.85Å; V219-W223 HydrophobicContact CG1-CZ2 3.57Å; V219-W223 VanDerWaalsContact O-CD1 3.31Å; V219-W223 PolarHBondContact O-N 2.75Å; V219-W223 PolarHBondContact O-NE1 3.47Å; V219-C274 HydrophobicContact CG2-CB 3.68Å; V219-F277 HydrophobicContact CG1-CB 4.16Å; V219-F277 HydrophobicContact CG2-CB 4.45Å; V219-T278 HydrophobicContact CG2-CG2 4.17Å; V219-F385 HydrophobicContact CB-CZ 4.39Å; V219-F385 HydrophobicContact CG1-CD1 4.27Å; V219-F385 HydrophobicContact CG1-CD2 4.11Å; V219-F385 HydrophobicContact CG1-CE1 4.35Å; V219-F385 HydrophobicContact CG1-CE2 4.21Å; V219-F385 HydrophobicContact CG1-CG 4.14Å; V219-F385 HydrophobicContact CG1-CZ 4.32Å; V219-F385 HydrophobicContact CG2-CE2 4.31Å; V219-F385 HydrophobicContact CG2-CZ 4.44Å
220V95.4Very high92.4Very high72 Ų7250.5 Ų50.544%0.43625%0.252SS..Hα-helixtrans-61.9-40.4176.1174.40000111.6S216 M217 S222 W223S216-V220 WeakPolarHBondContact O-CG2 3.48Å; S216-V220 PolarHBondContact O-N 2.92Å; M217-V220 PolarHBondContact O-N 3.44Å; V220-S222 VanDerWaalsContact C-N 3.27Å; V220-S222 PolarHBondContact O-N 3.04Å; V220-W223 HydrophobicContact CB-CE3 4.33Å; V220-W223 HydrophobicContact CB-CZ3 4.47Å; V220-W223 HydrophobicContact CG1-CE3 4.34Å; V220-W223 HydrophobicContact CG2-CE3 4.12Å; V220-W223 HydrophobicContact CG2-CH2 4.17Å; V220-W223 HydrophobicContact CG2-CZ3 3.77Å; V220-W223 WeakPolarHBondContact O-CB 3.47Å; V220-W223 PolarHBondContact O-N 2.77Å; V220-W223 VanDerWaalsContact O-N 3.1Å
221L93.7Very high92Very high94 Ų9451.6 Ų51.649%0.49226%0.261SS..Hα-helixtrans-59.5-38.8174.8-76172.4000111.5M217 I218 V219 W223 V224 L239 T243M217-L221 WeakPolarHBondContact O-CB 3.37Å; M217-L221 VanDerWaalsContact O-CG 3.28Å; M217-L221 WeakPolarHBondContact O-CG 3.39Å; M217-L221 PolarHBondContact O-N 3.15Å; I218-L221 WeakPolarHBondContact O-CB 3.35Å; I218-L221 PolarHBondContact O-N 3.26Å; V219-L221 VanDerWaalsContact C-N 3.33Å; V219-L221 PolarHBondContact O-N 2.95Å; L221-W223 PolarHBondContact O-N 3.07Å; L221-V224 VanDerWaalsContact O-CB 3.28Å; L221-V224 WeakPolarHBondContact O-CB 3.47Å; L221-V224 WeakPolarHBondContact O-CG2 3.15Å; L221-V224 PolarHBondContact O-N 3.47Å; L221-V224 VanDerWaalsContact O-N 3.11Å; L221-L239 WeakPolarHBondContact O-CD2 3.38Å; L221-T243 HydrophobicContact CB-CG2 4.37Å
222S94.4Very high91.9Very high1 Ų153.2 Ų53.21%0.00727%0.274CS..Hα-helixtrans-59.5-32.6176.580.50000112.7I218 V219 V220 V224 S225I218-S222 PolarHBondContact O-N 2.93Å; V219-S222 WeakPolarHBondContact O-CB 3.21Å; V219-S222 PolarHBondContact O-N 3.06Å; V219-S222 VanDerWaalsContact O-N 3.13Å; V219-S222 PolarHBondContact O-OG 2.85Å; V220-S222 VanDerWaalsContact C-N 3.27Å; V220-S222 PolarHBondContact O-N 3.04Å; S222-V224 VanDerWaalsContact C-N 3.28Å; S222-V224 PolarHBondContact O-N 2.95Å; S222-S225 WeakPolarHBondContact O-CB 3.43Å; S222-S225 PolarHBondContact O-N 3.31Å; S222-S225 PolarHBondContact O-OG 2.88Å
223W93.3Very high91.6Very high38 Ų3855.4 Ų55.414%0.14429%0.288CS..Hα-helixtrans-72.9-18.8179.4-52.4-19.1000113.7V219 V220 L221 S225 F226 P382 F385V219-W223 HydrophobicContact CG1-CZ2 3.57Å; V219-W223 VanDerWaalsContact O-CD1 3.31Å; V219-W223 PolarHBondContact O-N 2.75Å; V219-W223 PolarHBondContact O-NE1 3.47Å; V220-W223 HydrophobicContact CB-CE3 4.33Å; V220-W223 HydrophobicContact CB-CZ3 4.47Å; V220-W223 HydrophobicContact CG1-CE3 4.34Å; V220-W223 HydrophobicContact CG2-CE3 4.12Å; V220-W223 HydrophobicContact CG2-CH2 4.17Å; V220-W223 HydrophobicContact CG2-CZ3 3.77Å; V220-W223 WeakPolarHBondContact O-CB 3.47Å; V220-W223 PolarHBondContact O-N 2.77Å; V220-W223 VanDerWaalsContact O-N 3.1Å; L221-W223 PolarHBondContact O-N 3.07Å; W223-S225 PolarHBondContact O-N 3.38Å; W223-F226 HydrophobicContact CB-CD2 4.02Å; W223-F226 HydrophobicContact CB-CE2 4.12Å; W223-F226 AromaticContact CD1-CE2 3.85Å; W223-F226 HydrophobicContact CG-CE2 4.22Å; W223-F226 WeakPolarHBondContact O-CB 3.39Å; W223-F226 WeakPolarHBondContact O-CD2 3.48Å; W223-F226 PolarHBondContact O-N 2.92Å; W223-F226 VanDerWaalsContact O-N 3.08Å; W223-P382 HydrophobicContact CD2-CG 4.08Å; W223-P382 HydrophobicContact CE3-CB 4.24Å; W223-P382 HydrophobicContact CE3-CG 3.81Å; W223-P382 HydrophobicContact CH2-CB 3.96Å; W223-P382 HydrophobicContact CH2-CG 4.3Å; W223-P382 HydrophobicContact CZ2-CB 4.49Å; W223-P382 HydrophobicContact CZ3-CB 3.82Å; W223-P382 HydrophobicContact CZ3-CG 3.92Å; W223-F385 HydrophobicContact CH2-CB 4.1Å; W223-F385 AromaticContact CH2-CD1 3.82Å; W223-F385 HydrophobicContact CH2-CD1 3.82Å; W223-F385 HydrophobicContact CH2-CG 4.3Å; W223-F385 HydrophobicContact CZ2-CB 3.7Å; W223-F385 AromaticContact CZ2-CD1 3.91Å; W223-F385 HydrophobicContact CZ2-CD1 3.91Å; W223-F385 AromaticContact CZ2-CG 3.98Å; W223-F385 HydrophobicContact CZ2-CG 3.98Å
224V92.4Very high91.3Very high65 Ų6556.1 Ų56.139%0.39430%0.298SS..Hα-helixtrans-59.7-29.8174.2179.70000110.3L221 S222 F226 W227 I228 L239L221-V224 VanDerWaalsContact O-CB 3.28Å; L221-V224 WeakPolarHBondContact O-CB 3.47Å; L221-V224 WeakPolarHBondContact O-CG2 3.15Å; L221-V224 PolarHBondContact O-N 3.47Å; L221-V224 VanDerWaalsContact O-N 3.11Å; S222-V224 VanDerWaalsContact C-N 3.28Å; S222-V224 PolarHBondContact O-N 2.95Å; V224-F226 PolarHBondContact O-N 2.81Å; V224-W227 PolarHBondContact O-N 2.95Å; V224-W227 VanDerWaalsContact O-N 3.07Å; V224-I228 PolarHBondContact O-N 3.36Å; V224-L239 HydrophobicContact CB-CD1 4.22Å; V224-L239 HydrophobicContact CG1-CD1 4.36Å
225S91Very high91.1Very high6 Ų656.4 Ų56.44%0.04230%0.304CS..THydrogen-bonded Turntrans-57.1-32.2175.567.70000113.7S222 W223 W227 I228 R236S222-S225 WeakPolarHBondContact O-CB 3.43Å; S222-S225 PolarHBondContact O-N 3.31Å; S222-S225 PolarHBondContact O-OG 2.88Å; W223-S225 PolarHBondContact O-N 3.38Å; S225-W227 PolarHBondContact O-N 3.03Å; S225-I228 PolarHBondContact O-N 3.48Å; S225-R236 PolarHBondContact O-NE 3.19Å; S225-R236 VanDerWaalsContact O-NE 3.16Å
226F90.4Very high90.9Very high2 Ų256.6 Ų56.61%0.00930%0.304CS..THydrogen-bonded Turntrans-71.6-17.4-179.8-52.3-38.2000113.3W223 V224 A281 E284 R378 F381W223-F226 HydrophobicContact CB-CD2 4.02Å; W223-F226 HydrophobicContact CB-CE2 4.12Å; W223-F226 AromaticContact CD1-CE2 3.85Å; W223-F226 HydrophobicContact CG-CE2 4.22Å; W223-F226 WeakPolarHBondContact O-CB 3.39Å; W223-F226 WeakPolarHBondContact O-CD2 3.48Å; W223-F226 PolarHBondContact O-N 2.92Å; W223-F226 VanDerWaalsContact O-N 3.08Å; V224-F226 PolarHBondContact O-N 2.81Å; F226-A281 HydrophobicContact CE1-CB 4.27Å; F226-A281 HydrophobicContact CZ-CB 3.93Å; F226-E284 HydrophobicContact CE1-CG 4.39Å; F226-R378 HydrophobicContact CB-CG 3.84Å; F226-R378 PolarHBondContact O-NE 3.27Å; F226-R378 PolarHBondContact O-NH2 3.07Å; F226-F381 HydrophobicContact CE2-CB 3.91Å; F226-F381 HydrophobicContact CE2-CD1 4.26Å; F226-F381 AromaticContact CE2-CD2 3.87Å; F226-F381 HydrophobicContact CE2-CD2 3.87Å; F226-F381 HydrophobicContact CE2-CE2 4.44Å; F226-F381 AromaticContact CE2-CG 3.77Å; F226-F381 HydrophobicContact CE2-CG 3.77Å; F226-F381 HydrophobicContact CZ-CB 4.48Å; F226-F381 HydrophobicContact CZ-CD1 4.04Å; F226-F381 AromaticContact CZ-CD2 3.73Å; F226-F381 HydrophobicContact CZ-CD2 3.73Å; F226-F381 HydrophobicContact CZ-CE1 4.15Å; F226-F381 AromaticContact CZ-CE2 3.84Å; F226-F381 HydrophobicContact CZ-CE2 3.84Å; F226-F381 AromaticContact CZ-CG 3.84Å; F226-F381 HydrophobicContact CZ-CG 3.84Å; F226-F381 HydrophobicContact CZ-CZ 4.05Å
227W89.6Confident90.7Very high185 Ų18557.4 Ų57.470%0.70131%0.308SS*.THydrogen-bonded Turntrans-95.4-24178.5-7391000113.2V224 S225V224-W227 PolarHBondContact O-N 2.95Å; V224-W227 VanDerWaalsContact O-N 3.07Å; S225-W227 PolarHBondContact O-N 3.03Å
228I89.8Confident90.6Very high45 Ų4555 Ų5523%0.23130%0.303CS..SBendtrans-65.5146.6176.2-65.9173.9000109.1V224 S225 K230 A232 A235 R236 L239V224-I228 PolarHBondContact O-N 3.36Å; S225-I228 PolarHBondContact O-N 3.48Å; I228-K230 PolarHBondContact O-N 3.29Å; I228-A232 HydrophobicContact CG2-CB 4.03Å; I228-A235 HydrophobicContact CG2-CB 4.28Å; I228-R236 HydrophobicContact CB-CG 4.06Å; I228-R236 HydrophobicContact CG2-CG 3.85Å; I228-R236 VanDerWaalsContact O-CZ 3.23Å; I228-R236 PolarHBondContact O-NE 3.07Å; I228-R236 VanDerWaalsContact O-NE 3.1Å; I228-R236 PolarHBondContact O-NH2 3.06Å; I228-L239 HydrophobicContact CD1-CD1 4.27Å
229N86Confident90.5Very high102 Ų10256.1 Ų56.155%0.54531%0.309SS..  trans-60.4138.7177.8-167.9-0.2000111.5D231 A232 R236N229-D231 PolarHBondContact O-N 2.91Å; N229-A232 WeakPolarHBondContact O-CB 3.23Å; N229-A232 PolarHBondContact O-N 3.46Å; N229-A232 VanDerWaalsContact O-N 3.07Å; N229-R236 PolarHBondContact O-NE 2.96Å
230K80.3Confident90.3Very high79 Ų7956.4 Ų56.434%0.34331%0.312SS..THydrogen-bonded Turntrans-61.3-24.1-179.964.8176177.961.70113.4I228 A232 L288I228-K230 PolarHBondContact O-N 3.29Å; K230-A232 VanDerWaalsContact C-N 3.31Å; K230-L288 HydrophobicContact CB-CD2 4.05Å
231D81.9Confident90.2Very high100 Ų10057.8 Ų57.854%0.53532%0.316SS..THydrogen-bonded Turntrans-81.9-13.2-179.1-53.9-43.4000111.8N229 V233N229-D231 PolarHBondContact O-N 2.91Å; D231-V233 VanDerWaalsContact C-N 3.28Å; D231-V233 PolarHBondContact O-N 3.29Å; D231-V233 VanDerWaalsContact O-N 3.09Å
232A89.3Confident90.3Very high36 Ų3656.9 Ų56.930%0.29831%0.314SS..  trans-86.763.1176.200000111.8I228 N229 K230 A235 R236I228-A232 HydrophobicContact CG2-CB 4.03Å; N229-A232 WeakPolarHBondContact O-CB 3.23Å; N229-A232 PolarHBondContact O-N 3.46Å; N229-A232 VanDerWaalsContact O-N 3.07Å; K230-A232 VanDerWaalsContact C-N 3.31Å; A232-A235 HydrophobicContact CB-CB 4.41Å; A232-A235 PolarHBondContact O-N 3.45Å; A232-R236 PolarHBondContact O-N 2.98Å
233V87Confident90.3Very high50 Ų5057.3 Ų57.330%0.30332%0.317SS..Hα-helixtrans-47.7-52.8-178.6174.30000114.3D231 A235 R236 T237 Y285D231-V233 VanDerWaalsContact C-N 3.28Å; D231-V233 PolarHBondContact O-N 3.29Å; D231-V233 VanDerWaalsContact O-N 3.09Å; V233-A235 VanDerWaalsContact C-N 3.29Å; V233-A235 PolarHBondContact O-N 3.45Å; V233-R236 PolarHBondContact O-N 3.43Å; V233-T237 HydrophobicContact CG1-CG2 4.35Å; V233-T237 PolarHBondContact O-N 2.7Å; V233-T237 PolarHBondContact O-OG1 2.95Å; V233-T237 VanDerWaalsContact O-OG1 3.08Å; V233-Y285 VanDerWaalsContact CA-OH 3.24Å; V233-Y285 WeakPolarHBondContact CA-OH 3.44Å; V233-Y285 WeakPolarHBondContact CB-OH 3.28Å; V233-Y285 VanDerWaalsContact CG1-OH 3.28Å; V233-Y285 WeakPolarHBondContact CG1-OH 3.45Å; V233-Y285 WeakPolarHBondContact CG2-OH 3.36Å
234P90.5Very high90.3Very high97 Ų9756.6 Ų56.663%0.6332%0.316SS*.Hα-helixtrans-65.2-29.8-174.723.2-33.2000113.7T237 S238P234-T237 WeakPolarHBondContact CA-OG1 3.27Å; P234-T237 PolarHBondContact O-OG1 3.42Å; P234-S238 WeakPolarHBondContact O-CB 3.12Å; P234-S238 PolarHBondContact O-N 3.12Å; P234-S238 VanDerWaalsContact O-N 3.15Å
235A90.7Very high90.5Very high46 Ų4658.7 Ų58.738%0.3833%0.325SS..Hα-helixtrans-71.8-44.5178.900000111.5I228 A232 V233 L239I228-A235 HydrophobicContact CG2-CB 4.28Å; A232-A235 HydrophobicContact CB-CB 4.41Å; A232-A235 PolarHBondContact O-N 3.45Å; V233-A235 VanDerWaalsContact C-N 3.29Å; V233-A235 PolarHBondContact O-N 3.45Å; A235-L239 WeakPolarHBondContact O-CB 3.42Å; A235-L239 PolarHBondContact O-N 3.39Å; A235-L239 VanDerWaalsContact O-N 3.15Å
236R90.8Very high90.6Very high5 Ų561.3 Ų61.32%0.01934%0.34CS..Hα-helixtrans-69.3-42.5179.5-71.1-171.5175.4-156.19.3112.1S225 I228 N229 A232 V233 G240 Y285 D374S225-R236 PolarHBondContact O-NE 3.19Å; S225-R236 VanDerWaalsContact O-NE 3.16Å; I228-R236 HydrophobicContact CB-CG 4.06Å; I228-R236 HydrophobicContact CG2-CG 3.85Å; I228-R236 VanDerWaalsContact O-CZ 3.23Å; I228-R236 PolarHBondContact O-NE 3.07Å; I228-R236 VanDerWaalsContact O-NE 3.1Å; I228-R236 PolarHBondContact O-NH2 3.06Å; N229-R236 PolarHBondContact O-NE 2.96Å; A232-R236 PolarHBondContact O-N 2.98Å; V233-R236 PolarHBondContact O-N 3.43Å; R236-G240 PolarHBondContact O-N 2.83Å; R236-Y285 HydrophobicContact CB-CD1 4.36Å; R236-Y285 HydrophobicContact CB-CD2 3.86Å; R236-Y285 HydrophobicContact CB-CE1 4.29Å; R236-Y285 HydrophobicContact CB-CE2 3.74Å; R236-Y285 HydrophobicContact CB-CG 4.15Å; R236-Y285 HydrophobicContact CG-CD2 4.28Å; R236-Y285 HydrophobicContact CG-CE2 4.2Å; R236-D374 IonicContact CZ-OD1 3.56Å; R236-D374 IonicContact CZ-OD2 3.75Å; R236-D374 IonicContact NH1-OD1 2.87Å; R236-D374 PolarHBondContact NH1-OD1 3.48Å; R236-D374 IonicContact NH1-OD2 3.54Å; R236-D374 IonicContact NH2-OD1 3.3Å; R236-D374 PolarHBondContact NH2-OD1 2.99Å; R236-D374 IonicContact NH2-OD2 2.92Å; R236-D374 PolarHBondContact NH2-OD2 3.29Å
237T91Very high90.8Very high47 Ų4761.2 Ų61.229%0.28834%0.34SS..Hα-helixtrans-65.1-44.7177.551.30000112.3V233 P234 G240 I241 Y285V233-T237 HydrophobicContact CG1-CG2 4.35Å; V233-T237 PolarHBondContact O-N 2.7Å; V233-T237 PolarHBondContact O-OG1 2.95Å; V233-T237 VanDerWaalsContact O-OG1 3.08Å; P234-T237 WeakPolarHBondContact CA-OG1 3.27Å; P234-T237 PolarHBondContact O-OG1 3.42Å; T237-G240 PolarHBondContact O-N 3Å; T237-I241 WeakPolarHBondContact O-CG1 3.34Å; T237-I241 PolarHBondContact O-N 3.49Å; T237-Y285 HydrophobicContact CG2-CD1 4.24Å; T237-Y285 HydrophobicContact CG2-CE1 3.42Å; T237-Y285 VanDerWaalsContact CG2-CE1 3.42Å
238S93.5Very high91Very high68 Ų6855.3 Ų55.348%0.47633%0.325SS..Hα-helixtrans-61.1-46.9178.7-178.80000111.1P234 G240 I241 T242P234-S238 WeakPolarHBondContact O-CB 3.12Å; P234-S238 PolarHBondContact O-N 3.12Å; P234-S238 VanDerWaalsContact O-N 3.15Å; S238-G240 PolarHBondContact O-N 3.29Å; S238-I241 PolarHBondContact O-N 3.32Å; S238-T242 WeakPolarHBondContact O-CB 3.41Å; S238-T242 PolarHBondContact O-N 3.49Å; S238-T242 PolarHBondContact O-OG1 3.44Å
239L92.9Very high91.1Very high40 Ų4056.7 Ų56.721%0.20934%0.335CS..Hα-helixtrans-60.8-45.3178.1-169155.8000111.7L221 V224 I228 A235 T243L221-L239 WeakPolarHBondContact O-CD2 3.38Å; V224-L239 HydrophobicContact CB-CD1 4.22Å; V224-L239 HydrophobicContact CG1-CD1 4.36Å; I228-L239 HydrophobicContact CD1-CD1 4.27Å; A235-L239 WeakPolarHBondContact O-CB 3.42Å; A235-L239 PolarHBondContact O-N 3.39Å; A235-L239 VanDerWaalsContact O-N 3.15Å; L239-T243 HydrophobicContact CD2-CG2 3.98Å; L239-T243 WeakPolarHBondContact O-CB 3.32Å; L239-T243 VanDerWaalsContact O-CG2 3.27Å; L239-T243 WeakPolarHBondContact O-CG2 3.47Å; L239-T243 PolarHBondContact O-N 3.31Å; L239-T243 PolarHBondContact O-OG1 3.3Å
240G92Very high91.4Very high6 Ų652.8 Ų52.86%0.06231%0.314CS..Hα-helixtrans-63.9-43.6179.600000113.3R236 T237 S238 T243 V244R236-G240 PolarHBondContact O-N 2.83Å; T237-G240 PolarHBondContact O-N 3Å; S238-G240 PolarHBondContact O-N 3.29Å; G240-T243 PolarHBondContact O-OG1 2.96Å; G240-V244 WeakPolarHBondContact O-CG2 3.47Å; G240-V244 PolarHBondContact O-N 3.28Å
241I93.8Very high91.8Very high102 Ų10249.8 Ų49.852%0.52330%0.303SS..Hα-helixtrans-68.6-45.1178.4-65.8167.5000110.8T237 S238 T243 V244 L245T237-I241 WeakPolarHBondContact O-CG1 3.34Å; T237-I241 PolarHBondContact O-N 3.49Å; S238-I241 PolarHBondContact O-N 3.32Å; I241-T243 PolarHBondContact O-N 3.05Å; I241-V244 PolarHBondContact O-N 3.38Å; I241-L245 WeakPolarHBondContact O-CB 3.34Å; I241-L245 PolarHBondContact O-N 3.49Å
242T94.9Very high92.2Very high74 Ų7448.3 Ų48.345%0.45430%0.298SS..Hα-helixtrans-62.3-43.2179.9-58.90000111.1S238 V244 L245 T246S238-T242 WeakPolarHBondContact O-CB 3.41Å; S238-T242 PolarHBondContact O-N 3.49Å; S238-T242 PolarHBondContact O-OG1 3.44Å; T242-V244 PolarHBondContact O-N 3.37Å; T242-L245 PolarHBondContact O-N 3.22Å; T242-T246 WeakPolarHBondContact O-CB 3.36Å; T242-T246 PolarHBondContact O-N 3.29Å; T242-T246 PolarHBondContact O-OG1 2.91Å
243T94.7Very high92.1Very high10 Ų1050.3 Ų50.36%0.06130%0.303CS..Hα-helixtrans-62.6-43.2178.248.90000112.7I218 L221 L239 G240 I241 T246 M247I218-T243 HydrophobicContact CG2-CG2 4.38Å; L221-T243 HydrophobicContact CB-CG2 4.37Å; L239-T243 HydrophobicContact CD2-CG2 3.98Å; L239-T243 WeakPolarHBondContact O-CB 3.32Å; L239-T243 VanDerWaalsContact O-CG2 3.27Å; L239-T243 WeakPolarHBondContact O-CG2 3.47Å; L239-T243 PolarHBondContact O-N 3.31Å; L239-T243 PolarHBondContact O-OG1 3.3Å; G240-T243 PolarHBondContact O-OG1 2.96Å; I241-T243 PolarHBondContact O-N 3.05Å; T243-T246 PolarHBondContact O-N 2.84Å; T243-M247 WeakPolarHBondContact O-CB 3.28Å; T243-M247 PolarHBondContact O-N 3.49Å
244V95.1Very high91.9Very high23 Ų2348.2 Ų48.214%0.13929%0.29CS..Hα-helixtrans-64.8-41.1175.8172.60000111.7G240 I241 T242 M247 T248 F275 L282G240-V244 WeakPolarHBondContact O-CG2 3.47Å; G240-V244 PolarHBondContact O-N 3.28Å; I241-V244 PolarHBondContact O-N 3.38Å; T242-V244 PolarHBondContact O-N 3.37Å; V244-M247 PolarHBondContact O-N 3.2Å; V244-T248 PolarHBondContact O-N 3.21Å; V244-T248 PolarHBondContact O-OG1 3.03Å; V244-F275 HydrophobicContact CG1-CE2 3.91Å; V244-F275 HydrophobicContact CG1-CZ 4.28Å; V244-L282 HydrophobicContact CG2-CD2 4.32Å
245L94.7Very high91.6Very high110 Ų11050 Ų5058%0.57628%0.284SS*.Hα-helixtrans-62.8-49.9176.2179.762000111.1I241 T242 M247 T248 T249I241-L245 WeakPolarHBondContact O-CB 3.34Å; I241-L245 PolarHBondContact O-N 3.49Å; T242-L245 PolarHBondContact O-N 3.22Å; L245-M247 VanDerWaalsContact C-N 3.26Å; L245-M247 PolarHBondContact O-N 2.88Å; L245-T248 WeakPolarHBondContact O-CB 3.28Å; L245-T248 PolarHBondContact O-N 2.92Å; L245-T248 VanDerWaalsContact O-N 3.12Å; L245-T249 PolarHBondContact O-N 3.12Å; L245-T249 PolarHBondContact O-OG1 3.35Å; L245-T249 VanDerWaalsContact O-OG1 3.08Å
246T94.8Very high91.3Very high60 Ų6055.4 Ų55.437%0.36830%0.3SS..Hα-helixtrans-59-39.4177.6-53.40000111.3I218 T242 T243 T249 L250I218-T246 HydrophobicContact CD1-CG2 3.61Å; I218-T246 HydrophobicContact CG1-CG2 4.26Å; T242-T246 WeakPolarHBondContact O-CB 3.36Å; T242-T246 PolarHBondContact O-N 3.29Å; T242-T246 PolarHBondContact O-OG1 2.91Å; T243-T246 PolarHBondContact O-N 2.84Å; T246-T249 WeakPolarHBondContact O-CB 3.45Å; T246-T249 PolarHBondContact O-N 2.92Å; T246-L250 WeakPolarHBondContact O-CB 3.48Å; T246-L250 PolarHBondContact O-N 3.34Å
247M93.7Very high90.6Very high0 Ų057.4 Ų57.40%031%0.314CS..Hα-helixtrans-65.2-39.4177-166.760.2-166.500112.4C215 T243 V244 L245 L250 S251 V271 C274 F275C215-M247 HydrophobicContact CB-CE 4.45Å; T243-M247 WeakPolarHBondContact O-CB 3.28Å; T243-M247 PolarHBondContact O-N 3.49Å; V244-M247 PolarHBondContact O-N 3.2Å; L245-M247 VanDerWaalsContact C-N 3.26Å; L245-M247 PolarHBondContact O-N 2.88Å; M247-L250 PolarHBondContact O-N 2.65Å; M247-S251 WeakPolarHBondContact O-CB 3.41Å; M247-S251 PolarHBondContact O-N 3.1Å; M247-V271 HydrophobicContact CE-CB 4.2Å; M247-V271 HydrophobicContact CE-CG1 3.7Å; M247-V271 WeakPolarHBondContact CE-O 3.31Å; M247-C274 HydrophobicContact CE-CB 3.29Å; M247-C274 HydrophobicContact SD-CB 4.19Å; M247-F275 HydrophobicContact CB-CD2 4.23Å; M247-F275 HydrophobicContact CE-CB 4.39Å; M247-F275 HydrophobicContact CG-CB 3.99Å; M247-F275 HydrophobicContact CG-CD2 3.91Å; M247-F275 HydrophobicContact CG-CG 4.46Å
248T93Very high90.3Very high62 Ų6256 Ų5638%0.3831%0.305SS..Hα-helixtrans-63.9-41.4174.2-54.10000111.3V244 L245 T252V244-T248 PolarHBondContact O-N 3.21Å; V244-T248 PolarHBondContact O-OG1 3.03Å; L245-T248 WeakPolarHBondContact O-CB 3.28Å; L245-T248 PolarHBondContact O-N 2.92Å; L245-T248 VanDerWaalsContact O-N 3.12Å; T248-T252 PolarHBondContact O-N 2.92Å; T248-T252 VanDerWaalsContact O-N 3.13Å; T248-T252 PolarHBondContact O-OG1 3.42Å
249T92.9Very high90Very high73 Ų7353.5 Ų53.545%0.44829%0.287SS..Hα-helixtrans-61.8-46.7174.9-53.30000111L245 T246 S251 T252 I253L245-T249 PolarHBondContact O-N 3.12Å; L245-T249 PolarHBondContact O-OG1 3.35Å; L245-T249 VanDerWaalsContact O-OG1 3.08Å; T246-T249 WeakPolarHBondContact O-CB 3.45Å; T246-T249 PolarHBondContact O-N 2.92Å; T249-S251 PolarHBondContact O-N 3.36Å; T249-T252 WeakPolarHBondContact O-CB 3.24Å; T249-T252 PolarHBondContact O-N 3.03Å; T249-T252 VanDerWaalsContact O-N 3.1Å; T249-I253 HydrophobicContact CG2-CD1 4.01Å; T249-I253 WeakPolarHBondContact O-CG1 3.49Å; T249-I253 PolarHBondContact O-N 3.48Å
250L91.6Very high89.7Confident20 Ų2062 Ų6211%0.10532%0.323CS..Hα-helixtrans-65.1-39.9-179.4-170.857000112.3P214 C215 I218 T246 M247 T252 I253 S254P214-L250 HydrophobicContact CB-CD2 3.9Å; C215-L250 HydrophobicContact CB-CD2 4.31Å; C215-L250 WeakPolarHBondContact SG-CD2 3.19Å; I218-L250 HydrophobicContact CD1-CD2 4.01Å; T246-L250 WeakPolarHBondContact O-CB 3.48Å; T246-L250 PolarHBondContact O-N 3.34Å; M247-L250 PolarHBondContact O-N 2.65Å; L250-T252 PolarHBondContact O-N 3.32Å; L250-I253 PolarHBondContact O-N 3.29Å; L250-S254 PolarHBondContact O-N 2.97Å; L250-S254 PolarHBondContact O-OG 3.13Å
251S89.9Confident89.5Confident17 Ų1764 Ų6412%0.11933%0.333CS..Hα-helixtrans-61.2-29.7172.3-179.50000113.3M247 T249 S254 R255M247-S251 WeakPolarHBondContact O-CB 3.41Å; M247-S251 PolarHBondContact O-N 3.1Å; T249-S251 PolarHBondContact O-N 3.36Å; S251-S254 VanDerWaalsContact C-OG 3.3Å; S251-S254 WeakPolarHBondContact CA-OG 3.4Å; S251-S254 PolarHBondContact O-OG 2.94Å; S251-R255 PolarHBondContact O-NE 3.31Å; S251-R255 PolarHBondContact OG-NH1 2.67Å; S251-R255 PolarHBondContact OG-NH2 3.26Å
252T88.9Confident89.2Confident69 Ų6965.5 Ų65.542%0.42335%0.353SS..Hα-helixtrans-77.8-39.4175.5-570000111.2T248 T249 L250 K256T248-T252 PolarHBondContact O-N 2.92Å; T248-T252 VanDerWaalsContact O-N 3.13Å; T248-T252 PolarHBondContact O-OG1 3.42Å; T249-T252 WeakPolarHBondContact O-CB 3.24Å; T249-T252 PolarHBondContact O-N 3.03Å; T249-T252 VanDerWaalsContact O-N 3.1Å; L250-T252 PolarHBondContact O-N 3.32Å; T252-K256 PolarHBondContact O-N 3.34Å
253I87.3Confident89Confident78 Ų7865.6 Ų65.640%0.435%0.345SS..Hα-helixtrans-65.3-43.6178.4-66.9166.4000110.8T249 L250 R255 K256T249-I253 HydrophobicContact CG2-CD1 4.01Å; T249-I253 WeakPolarHBondContact O-CG1 3.49Å; T249-I253 PolarHBondContact O-N 3.48Å; L250-I253 PolarHBondContact O-N 3.29Å; I253-R255 VanDerWaalsContact C-N 3.32Å; I253-R255 PolarHBondContact O-N 2.84Å; I253-K256 PolarHBondContact O-N 3.38Å
254S84.1Confident88.8Confident5 Ų571.1 Ų71.14%0.03537%0.373CS..Hα-helixtrans-55.6-45.3178.953.80000112.5L250 S251 K256 S257L250-S254 PolarHBondContact O-N 2.97Å; L250-S254 PolarHBondContact O-OG 3.13Å; S251-S254 VanDerWaalsContact C-OG 3.3Å; S251-S254 WeakPolarHBondContact CA-OG 3.4Å; S251-S254 PolarHBondContact O-OG 2.94Å; S254-K256 VanDerWaalsContact C-N 3.32Å; S254-K256 PolarHBondContact O-N 3.11Å; S254-S257 PolarHBondContact O-OG 3.08Å; S254-S257 VanDerWaalsContact O-OG 3.06Å
255R83.4Confident88.7Confident134 Ų13470 Ų7051%0.50637%0.366SS..Hα-helixtrans-74.2-13.6-177.3-70.5-171.4-67.2-119.8-4.5114.9S251 I253 S257 L258S251-R255 PolarHBondContact O-NE 3.31Å; S251-R255 PolarHBondContact OG-NH1 2.67Å; S251-R255 PolarHBondContact OG-NH2 3.26Å; I253-R255 VanDerWaalsContact C-N 3.32Å; I253-R255 PolarHBondContact O-N 2.84Å; R255-S257 PolarHBondContact O-N 3.22Å; R255-L258 PolarHBondContact O-N 3.1Å
256K84.1Confident88.7Confident161 Ų16164.8 Ų64.870%0.734%0.339SS*.THydrogen-bonded Turntrans-67.7-26.7177.7-76.8-176.9178.7-176.10113.1T252 I253 S254 L258T252-K256 PolarHBondContact O-N 3.34Å; I253-K256 PolarHBondContact O-N 3.38Å; S254-K256 VanDerWaalsContact C-N 3.32Å; S254-K256 PolarHBondContact O-N 3.11Å; K256-L258 VanDerWaalsContact C-N 3.35Å
257S77.4Confident88.6Confident46 Ų4662 Ų6232%0.32232%0.322SS..THydrogen-bonded Turntrans-89.2-1.3-175.965.60000114.2S254 R255S254-S257 PolarHBondContact O-OG 3.08Å; S254-S257 VanDerWaalsContact O-OG 3.06Å; R255-S257 PolarHBondContact O-N 3.22Å
258L83.8Confident88.5Confident17 Ų1763.1 Ų63.19%0.08933%0.328CS..SBendtrans-120.2148.3-173.4-75.4170.6000111.1L126 F129 R255 K256L126-L258 HydrophobicContact CD1-CD2 4.25Å; F129-L258 HydrophobicContact CD1-CD1 3.79Å; F129-L258 HydrophobicContact CD1-CD2 3.98Å; F129-L258 HydrophobicContact CD1-CG 4.39Å; F129-L258 HydrophobicContact CD2-CD2 3.79Å; F129-L258 HydrophobicContact CE1-CD1 3.58Å; F129-L258 HydrophobicContact CE1-CD2 3.74Å; F129-L258 HydrophobicContact CE1-CG 3.93Å; F129-L258 HydrophobicContact CE2-CD2 3.52Å; F129-L258 HydrophobicContact CE2-CG 4.48Å; F129-L258 HydrophobicContact CG-CD2 4Å; F129-L258 HydrophobicContact CZ-CD1 4.14Å; F129-L258 HydrophobicContact CZ-CD2 3.47Å; F129-L258 VanDerWaalsContact CZ-CD2 3.47Å; F129-L258 HydrophobicContact CZ-CG 3.95Å; R255-L258 PolarHBondContact O-N 3.1Å; K256-L258 VanDerWaalsContact C-N 3.35Å
259P87.4Confident88.6Confident17 Ų1763 Ų6311%0.1133%0.325CS..  trans-60.4153.8166.528.4-36000110.7P38 M41 L126 V261P38-P259 WeakPolarHBondContact O-CD 3.22Å; P38-P259 WeakPolarHBondContact O-CG 3.35Å; M41-P259 HydrophobicContact CE-CB 4.1Å; M41-P259 HydrophobicContact CE-CG 3.66Å; L126-P259 HydrophobicContact CD1-CG 3.43Å; L126-P259 VanDerWaalsContact CD1-CG 3.43Å; P259-V261 HydrophobicContact CG-CG1 4.11Å; P259-V261 PolarHBondContact O-N 3.25Å
260K85.4Confident88.7Confident219 Ų21959.6 Ų59.695%0.95230%0.304SS*.  trans-73.990.3174.4-63.9-179.7-176.9177.20109.6
261V88.1Confident88.8Confident47 Ų4758.8 Ų58.829%0.28530%0.299SS..  trans-96.1149.6173.9-65.20000110.8P259 Y263 T265P259-V261 HydrophobicContact CG-CG1 4.11Å; P259-V261 PolarHBondContact O-N 3.25Å; V261-Y263 HydrophobicContact CB-CD1 4.29Å; V261-Y263 HydrophobicContact CB-CE1 3.93Å; V261-Y263 HydrophobicContact CB-CE2 4.17Å; V261-Y263 HydrophobicContact CG1-CE1 4.15Å; V261-Y263 HydrophobicContact CG2-CD2 4.24Å; V261-Y263 HydrophobicContact CG2-CE2 3.95Å; V261-T265 HydrophobicContact CG2-CG2 4.29Å
262S88.1Confident89Confident134 Ų13460.6 Ų60.694%0.93731%0.312SS*.SBendtrans-86.4-16.8-178.2-53.10000113.9
263Y91.4Very high89.3Confident76 Ų7658.6 Ų58.630%0.29830%0.3SS..SBendtrans-91.2156.1178.453.2-100.6000111.5L126 H127 V261 T265L126-Y263 HydrophobicContact CB-CE2 4.27Å; L126-Y263 PolarHBondContact N-OH 2.9Å; H127-Y263 AromaticContact CE1-CD1 3.81Å; H127-Y263 AromaticContact CE1-CD2 3.76Å; H127-Y263 AromaticContact CE1-CG 3.63Å; H127-Y263 AromaticContact ND1-CD2 3.48Å; H127-Y263 WeakPolarHBondContact ND1-CD2 3.44Å; H127-Y263 AromaticContact ND1-CE2 3.8Å; H127-Y263 AromaticContact ND1-CG 3.78Å; V261-Y263 HydrophobicContact CB-CD1 4.29Å; V261-Y263 HydrophobicContact CB-CE1 3.93Å; V261-Y263 HydrophobicContact CB-CE2 4.17Å; V261-Y263 HydrophobicContact CG1-CE1 4.15Å; V261-Y263 HydrophobicContact CG2-CD2 4.24Å; V261-Y263 HydrophobicContact CG2-CE2 3.95Å; Y263-T265 HydrophobicContact CD2-CG2 4.47Å; Y263-T265 HydrophobicContact CE2-CG2 4.29Å
264I90.3Very high89.7Confident125 Ų12554.9 Ų54.964%0.64128%0.281SS*.PPolyproline II helixtrans-78.4127.3177-61.3170.6000108.9D268 L269I264-D268 HydrophobicContact CG2-CB 4.05Å; I264-L269 HydrophobicContact CG2-CB 4.14Å
265T93.3Very high90.3Very high0 Ų058.2 Ų58.20%030%0.295CS..PPolyproline II helixtrans-87161.9172.566.90000111.6L126 H127 F129 V261 Y263 M267 D268 L269L126-T265 WeakPolarHBondContact O-CG2 3.41Å; H127-T265 WeakPolarHBondContact O-CA 3.34Å; F129-T265 HydrophobicContact CB-CG2 4.43Å; V261-T265 HydrophobicContact CG2-CG2 4.29Å; Y263-T265 HydrophobicContact CD2-CG2 4.47Å; Y263-T265 HydrophobicContact CE2-CG2 4.29Å; T265-M267 PolarHBondContact O-N 2.6Å; T265-D268 PolarHBondContact N-OD2 3.44Å; T265-D268 PolarHBondContact O-N 3.37Å; T265-D268 VanDerWaalsContact O-N 3.12Å; T265-D268 WeakPolarHBondContact OG1-CB 3.47Å; T265-D268 PolarHBondContact OG1-N 3.13Å; T265-D268 PolarHBondContact OG1-OD2 2.98Å; T265-L269 PolarHBondContact O-N 3.5Å
266A93.4Very high90.9Very high0 Ų056.9 Ų56.90%030%0.296CS..Hα-helixtrans-56.2-38.9173.900000112.2H127 F129 L269 F270 Y392 Y396H127-A266 PolarHBondContact O-N 2.8Å; F129-A266 WeakPolarHBondContact O-CB 3.2Å; A266-L269 PolarHBondContact O-N 3.35Å; A266-F270 PolarHBondContact O-N 3.13Å; A266-Y392 WeakPolarHBondContact O-CE2 3.4Å; A266-Y392 PolarHBondContact O-OH 3.27Å; A266-Y396 HydrophobicContact CB-CD1 3.59Å; A266-Y396 HydrophobicContact CB-CD2 4.15Å; A266-Y396 HydrophobicContact CB-CE1 3.38Å; A266-Y396 HydrophobicContact CB-CE2 3.97Å; A266-Y396 HydrophobicContact CB-CG 3.98Å
267M92.3Very high91.4Very high2 Ų250.6 Ų50.61%0.0127%0.269CS..Hα-helixtrans-65.6-43.8174.3-178.1151.7150.600112.7F129 F207 T211 T265 L269 F270 V271F129-M267 HydrophobicContact CD1-CB 3.96Å; F129-M267 HydrophobicContact CD1-SD 4.07Å; F129-M267 HydrophobicContact CE1-CB 4.4Å; F129-M267 HydrophobicContact CE1-CE 4.39Å; F129-M267 HydrophobicContact CE1-SD 3.55Å; F129-M267 VanDerWaalsContact CE1-SD 3.55Å; F129-M267 PolarHBondContact O-N 3.4Å; F207-M267 HydrophobicContact CD1-CE 4.18Å; F207-M267 HydrophobicContact CD1-SD 4Å; T211-M267 HydrophobicContact CG2-CE 3.84Å; T211-M267 HydrophobicContact CG2-CG 4.42Å; T211-M267 HydrophobicContact CG2-SD 4.37Å; T211-M267 WeakPolarHBondContact OG1-CE 3.27Å; T265-M267 PolarHBondContact O-N 2.6Å; M267-L269 VanDerWaalsContact C-N 3.3Å; M267-L269 PolarHBondContact O-N 2.95Å; M267-F270 PolarHBondContact O-N 3.32Å; M267-V271 WeakPolarHBondContact O-CG2 3.41Å; M267-V271 PolarHBondContact O-N 3.48Å
268D92.4Very high92.3Very high24 Ų2448.4 Ų48.413%0.12825%0.254CS..Hα-helixtrans-62.6-38.8175.9-70.1-47.4000111.6I264 T265 S272I264-D268 HydrophobicContact CG2-CB 4.05Å; T265-D268 PolarHBondContact N-OD2 3.44Å; T265-D268 PolarHBondContact O-N 3.37Å; T265-D268 VanDerWaalsContact O-N 3.12Å; T265-D268 WeakPolarHBondContact OG1-CB 3.47Å; T265-D268 PolarHBondContact OG1-N 3.13Å; T265-D268 PolarHBondContact OG1-OD2 2.98Å; D268-S272 WeakPolarHBondContact O-CB 3.44Å; D268-S272 PolarHBondContact O-N 3.39Å; D268-S272 PolarHBondContact O-OG 3.29Å
269L94.1Very high92.8Very high60 Ų6052.3 Ų52.331%0.31427%0.27SS..Hα-helixtrans-61.1-48.3174.9-177.968.4000111I264 T265 A266 M267 S272 V273 Y392 Y396I264-L269 HydrophobicContact CG2-CB 4.14Å; T265-L269 PolarHBondContact O-N 3.5Å; A266-L269 PolarHBondContact O-N 3.35Å; M267-L269 VanDerWaalsContact C-N 3.3Å; M267-L269 PolarHBondContact O-N 2.95Å; L269-S272 PolarHBondContact O-N 3.1Å; L269-V273 HydrophobicContact CD1-CG2 4.44Å; L269-V273 WeakPolarHBondContact O-CG2 3.2Å; L269-V273 PolarHBondContact O-N 2.94Å; L269-Y392 HydrophobicContact CD2-CE2 4.49Å; L269-Y396 HydrophobicContact CD2-CE2 3.98Å; L269-Y396 WeakPolarHBondContact CD2-OH 3.34Å
270F95.3Very high93.1Very high1 Ų153.1 Ų53.10%0.00428%0.279CS..Hα-helixtrans-60.3-49.5178.8-172.4-92.4000112.1Y212 C215 A266 M267 S272 V273 C274 F385 F388 Y392Y212-F270 AromaticContact CD1-CD1 3.51Å; Y212-F270 HydrophobicContact CD1-CD1 3.51Å; Y212-F270 AromaticContact CD1-CD2 3.94Å; Y212-F270 HydrophobicContact CD1-CD2 3.94Å; Y212-F270 AromaticContact CD1-CE1 3.56Å; Y212-F270 HydrophobicContact CD1-CE1 3.56Å; Y212-F270 AromaticContact CD1-CE2 3.99Å; Y212-F270 HydrophobicContact CD1-CE2 3.99Å; Y212-F270 AromaticContact CD1-CG 3.72Å; Y212-F270 HydrophobicContact CD1-CG 3.72Å; Y212-F270 AromaticContact CD1-CZ 3.81Å; Y212-F270 HydrophobicContact CD1-CZ 3.81Å; Y212-F270 HydrophobicContact CE1-CB 3.88Å; Y212-F270 AromaticContact CE1-CD1 3.76Å; Y212-F270 HydrophobicContact CE1-CD1 3.76Å; Y212-F270 AromaticContact CE1-CD2 3.86Å; Y212-F270 HydrophobicContact CE1-CD2 3.86Å; Y212-F270 HydrophobicContact CE1-CE1 4.26Å; Y212-F270 HydrophobicContact CE1-CE2 4.36Å; Y212-F270 AromaticContact CE1-CG 3.54Å; Y212-F270 HydrophobicContact CE1-CG 3.54Å; Y212-F270 HydrophobicContact CG-CE1 4.44Å; C215-F270 HydrophobicContact CB-CD1 4.33Å; C215-F270 HydrophobicContact CB-CE1 3.76Å; A266-F270 PolarHBondContact O-N 3.13Å; M267-F270 PolarHBondContact O-N 3.32Å; F270-S272 VanDerWaalsContact C-N 3.32Å; F270-S272 PolarHBondContact O-N 3.27Å; F270-V273 PolarHBondContact O-N 3.33Å; F270-C274 VanDerWaalsContact CE1-SG 3.59Å; F270-C274 WeakPolarHBondContact O-CB 3.2Å; F270-C274 PolarHBondContact O-N 3.36Å; F270-C274 PolarHBondContact O-SG 2.98Å; F270-C274 VanDerWaalsContact O-SG 3.39Å; F270-F385 HydrophobicContact CZ-CZ 4.45Å; F270-F388 AromaticContact CD2-CE1 3.71Å; F270-F388 HydrophobicContact CD2-CE1 3.71Å; F270-F388 HydrophobicContact CD2-CZ 4.07Å; F270-F388 AromaticContact CE2-CE1 3.92Å; F270-F388 HydrophobicContact CE2-CE1 3.92Å; F270-Y392 HydrophobicContact CB-CE1 4.48Å; F270-Y392 HydrophobicContact CB-CE2 3.91Å; F270-Y392 HydrophobicContact CD2-CD1 4Å; F270-Y392 HydrophobicContact CD2-CD2 4.39Å; F270-Y392 AromaticContact CD2-CE1 3.87Å; F270-Y392 HydrophobicContact CD2-CE1 3.87Å; F270-Y392 HydrophobicContact CD2-CE2 4.26Å; F270-Y392 HydrophobicContact CD2-CG 4.27Å
271V94.1Very high93.5Very high2 Ų242.9 Ų42.91%0.01224%0.235CC..Hα-helixtrans-61.4-41177.41720000110.9T211 M247 M267 C274 F275T211-V271 HydrophobicContact CG2-CG2 3.9Å; M247-V271 HydrophobicContact CE-CB 4.2Å; M247-V271 HydrophobicContact CE-CG1 3.7Å; M247-V271 WeakPolarHBondContact CE-O 3.31Å; M267-V271 WeakPolarHBondContact O-CG2 3.41Å; M267-V271 PolarHBondContact O-N 3.48Å; V271-C274 PolarHBondContact O-N 3.02Å; V271-F275 WeakPolarHBondContact O-CB 3.42Å; V271-F275 PolarHBondContact O-N 3.02Å
272S93.9Very high93.7Very high56 Ų5642.8 Ų42.839%0.39223%0.233SC..Hα-helixtrans-66.1-41.7178.9-60.30000112.1D268 L269 F270 F275 I276D268-S272 WeakPolarHBondContact O-CB 3.44Å; D268-S272 PolarHBondContact O-N 3.39Å; D268-S272 PolarHBondContact O-OG 3.29Å; L269-S272 PolarHBondContact O-N 3.1Å; F270-S272 VanDerWaalsContact C-N 3.32Å; F270-S272 PolarHBondContact O-N 3.27Å; S272-F275 WeakPolarHBondContact O-CB 3.41Å; S272-F275 PolarHBondContact O-N 3.12Å; S272-I276 WeakPolarHBondContact O-CG1 3.44Å; S272-I276 PolarHBondContact O-N 2.92Å
273V95.9Very high93.9Very high26 Ų2640.7 Ų40.716%0.15821%0.209CC..Hα-helixtrans-65.9-45.7176.7171.50000111L269 F270 F275 I276 F277 F388L269-V273 HydrophobicContact CD1-CG2 4.44Å; L269-V273 WeakPolarHBondContact O-CG2 3.2Å; L269-V273 PolarHBondContact O-N 2.94Å; F270-V273 PolarHBondContact O-N 3.33Å; V273-F275 PolarHBondContact O-N 3.13Å; V273-I276 PolarHBondContact O-N 3.39Å; V273-I276 VanDerWaalsContact O-N 3.13Å; V273-F277 HydrophobicContact CG1-CD2 3.69Å; V273-F277 HydrophobicContact CG1-CE2 3.54Å; V273-F277 VanDerWaalsContact O-CD2 3.27Å; V273-F277 WeakPolarHBondContact O-CD2 3.41Å; V273-F277 PolarHBondContact O-N 2.94Å; V273-F388 HydrophobicContact CB-CE1 4.02Å; V273-F388 HydrophobicContact CB-CE2 3.93Å; V273-F388 HydrophobicContact CB-CZ 3.66Å; V273-F388 HydrophobicContact CG1-CD1 3.77Å; V273-F388 HydrophobicContact CG1-CD2 3.84Å; V273-F388 HydrophobicContact CG1-CE1 3.68Å; V273-F388 HydrophobicContact CG1-CE2 3.76Å; V273-F388 HydrophobicContact CG1-CG 3.85Å; V273-F388 HydrophobicContact CG1-CZ 3.68Å; V273-F388 HydrophobicContact CG2-CD2 4.36Å; V273-F388 HydrophobicContact CG2-CE2 3.68Å; V273-F388 HydrophobicContact CG2-CZ 3.85Å
274C96.1Very high93.9Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-56.3-40.7172.9-73.80000111.7C215 V219 M247 F270 V271 F277 T278C215-C274 HydrophobicContact CB-CB 4.44Å; V219-C274 HydrophobicContact CG2-CB 3.68Å; M247-C274 HydrophobicContact CE-CB 3.29Å; M247-C274 HydrophobicContact SD-CB 4.19Å; F270-C274 VanDerWaalsContact CE1-SG 3.59Å; F270-C274 WeakPolarHBondContact O-CB 3.2Å; F270-C274 PolarHBondContact O-N 3.36Å; F270-C274 PolarHBondContact O-SG 2.98Å; F270-C274 VanDerWaalsContact O-SG 3.39Å; V271-C274 PolarHBondContact O-N 3.02Å; C274-F277 PolarHBondContact O-N 2.99Å; C274-T278 WeakPolarHBondContact O-CG2 3.42Å; C274-T278 PolarHBondContact O-N 2.89Å; C274-T278 PolarHBondContact O-OG1 3.33Å
275F95.4Very high93.8Very high75 Ų7532.6 Ų32.633%0.32917%0.171SC..Hα-helixtrans-61.7-47175.2-178.4-93.6000111.7V244 M247 V271 S272 V273 F277 T278 F279V244-F275 HydrophobicContact CG1-CE2 3.91Å; V244-F275 HydrophobicContact CG1-CZ 4.28Å; M247-F275 HydrophobicContact CB-CD2 4.23Å; M247-F275 HydrophobicContact CE-CB 4.39Å; M247-F275 HydrophobicContact CG-CB 3.99Å; M247-F275 HydrophobicContact CG-CD2 3.91Å; M247-F275 HydrophobicContact CG-CG 4.46Å; V271-F275 WeakPolarHBondContact O-CB 3.42Å; V271-F275 PolarHBondContact O-N 3.02Å; S272-F275 WeakPolarHBondContact O-CB 3.41Å; S272-F275 PolarHBondContact O-N 3.12Å; V273-F275 PolarHBondContact O-N 3.13Å; F275-F277 VanDerWaalsContact C-N 3.31Å; F275-F277 PolarHBondContact O-N 3.45Å; F275-T278 PolarHBondContact O-N 3.4Å; F275-T278 PolarHBondContact O-OG1 3.03Å; F275-F279 WeakPolarHBondContact O-CB 2.94Å; F275-F279 PolarHBondContact O-N 2.71Å
276I95.8Very high93.6Very high106 Ų10634 Ų3454%0.54419%0.186SC..Hα-helixtrans-57.3-43.8176-68.4164.3000111.1S272 V273 F279 A280S272-I276 WeakPolarHBondContact O-CG1 3.44Å; S272-I276 PolarHBondContact O-N 2.92Å; V273-I276 PolarHBondContact O-N 3.39Å; V273-I276 VanDerWaalsContact O-N 3.13Å; I276-F279 PolarHBondContact O-N 3.01Å; I276-A280 WeakPolarHBondContact O-CB 3.39Å; I276-A280 PolarHBondContact O-N 3.37Å
277F95.8Very high93.3Very high30 Ų3036.9 Ų36.913%0.13220%0.203CC..Hα-helixtrans-62.8-44.7176.9-84.6-75.7000112.7V219 V273 C274 F275 A280 A281 F381 A384 F385V219-F277 HydrophobicContact CG1-CB 4.16Å; V219-F277 HydrophobicContact CG2-CB 4.45Å; V273-F277 HydrophobicContact CG1-CD2 3.69Å; V273-F277 HydrophobicContact CG1-CE2 3.54Å; V273-F277 VanDerWaalsContact O-CD2 3.27Å; V273-F277 WeakPolarHBondContact O-CD2 3.41Å; V273-F277 PolarHBondContact O-N 2.94Å; C274-F277 PolarHBondContact O-N 2.99Å; F275-F277 VanDerWaalsContact C-N 3.31Å; F275-F277 PolarHBondContact O-N 3.45Å; F277-A280 PolarHBondContact O-N 3.42Å; F277-A281 PolarHBondContact O-N 2.77Å; F277-F381 AromaticContact CD1-CD1 3.91Å; F277-F381 HydrophobicContact CD1-CD1 3.91Å; F277-F381 HydrophobicContact CD1-CE1 4.42Å; F277-A384 HydrophobicContact CE1-CB 3.94Å; F277-A384 HydrophobicContact CZ-CB 3.94Å; F277-F385 AromaticContact CD2-CD2 3.88Å; F277-F385 HydrophobicContact CD2-CD2 3.88Å; F277-F385 HydrophobicContact CE1-CB 4.32Å; F277-F385 HydrophobicContact CE2-CB 4.45Å; F277-F385 AromaticContact CE2-CD2 3.89Å; F277-F385 HydrophobicContact CE2-CD2 3.89Å; F277-F385 HydrophobicContact CG-CD2 4.45Å; F277-F385 HydrophobicContact CZ-CB 4.18Å; F277-F385 HydrophobicContact CZ-CD2 4.46Å
278T95Very high93.1Very high0 Ų036.9 Ų36.90%020%0.203CC..Hα-helixtrans-64.7-40.8177.5590000112.2I218 V219 C274 F275 A281 L282I218-T278 HydrophobicContact CG2-CG2 3.99Å; V219-T278 HydrophobicContact CG2-CG2 4.17Å; C274-T278 WeakPolarHBondContact O-CG2 3.42Å; C274-T278 PolarHBondContact O-N 2.89Å; C274-T278 PolarHBondContact O-OG1 3.33Å; F275-T278 PolarHBondContact O-N 3.4Å; F275-T278 PolarHBondContact O-OG1 3.03Å; T278-A281 PolarHBondContact O-N 2.85Å; T278-L282 PolarHBondContact O-N 3.4Å
279F94.9Very high92.8Very high98 Ų9839.7 Ų39.743%0.4322%0.215SC..Hα-helixtrans-68-40.4176.9-177.6-100.8000111.8F275 I276 A281 L282 M283F275-F279 WeakPolarHBondContact O-CB 2.94Å; F275-F279 PolarHBondContact O-N 2.71Å; I276-F279 PolarHBondContact O-N 3.01Å; F279-A281 VanDerWaalsContact C-N 3.32Å; F279-A281 PolarHBondContact O-N 3Å; F279-L282 PolarHBondContact O-N 2.81Å; F279-M283 HydrophobicContact CD1-CG 4.1Å; F279-M283 HydrophobicContact CE1-CG 3.63Å; F279-M283 HydrophobicContact CE1-SD 4.26Å; F279-M283 HydrophobicContact CE2-CG 4.41Å; F279-M283 HydrophobicContact CZ-CG 3.81Å; F279-M283 HydrophobicContact CZ-SD 4.09Å; F279-M283 WeakPolarHBondContact O-CG 3.49Å; F279-M283 PolarHBondContact O-N 3.2Å
280A94.6Very high92.5Very high35 Ų3543.7 Ų43.729%0.28923%0.227SC..Hα-helixtrans-63.3-36.6175.700000112.1I276 F277 M283 E284 F381I276-A280 WeakPolarHBondContact O-CB 3.39Å; I276-A280 PolarHBondContact O-N 3.37Å; F277-A280 PolarHBondContact O-N 3.42Å; A280-M283 PolarHBondContact O-N 2.89Å; A280-E284 WeakPolarHBondContact O-CB 3.43Å; A280-E284 PolarHBondContact O-N 3.16Å; A280-F381 HydrophobicContact CB-CE1 3.84Å; A280-F381 HydrophobicContact CB-CZ 4.01Å
281A92.4Very high92Very high3 Ų348.2 Ų48.23%0.02525%0.247CC..Hα-helixtrans-64.8-41.5174.100000112.1F226 F277 T278 F279 M283 Y285 F381F226-A281 HydrophobicContact CE1-CB 4.27Å; F226-A281 HydrophobicContact CZ-CB 3.93Å; F277-A281 PolarHBondContact O-N 2.77Å; T278-A281 PolarHBondContact O-N 2.85Å; F279-A281 VanDerWaalsContact C-N 3.32Å; F279-A281 PolarHBondContact O-N 3Å; A281-M283 VanDerWaalsContact C-N 3.34Å; A281-Y285 PolarHBondContact O-N 3.1Å; A281-F381 HydrophobicContact CB-CE1 4.18Å
282L92.6Very high91.4Very high46 Ų4649.8 Ų49.824%0.24126%0.257CS..Hα-helixtrans-62.9-41.7173.2177.165.4000111.5V244 T278 F279 Y285 G286V244-L282 HydrophobicContact CG2-CD2 4.32Å; T278-L282 PolarHBondContact O-N 3.4Å; F279-L282 PolarHBondContact O-N 2.81Å; L282-Y285 PolarHBondContact O-N 3.46Å; L282-G286 PolarHBondContact O-N 3.32Å; L282-G286 VanDerWaalsContact O-N 3.08Å
283M92.1Very high90.8Very high90 Ų9049.4 Ų49.444%0.44325%0.254SS..Hα-helixtrans-69.3-38.9-179.8-78-87.342.100113.1F279 A280 A281 Y285 G286 T287F279-M283 HydrophobicContact CD1-CG 4.1Å; F279-M283 HydrophobicContact CE1-CG 3.63Å; F279-M283 HydrophobicContact CE1-SD 4.26Å; F279-M283 HydrophobicContact CE2-CG 4.41Å; F279-M283 HydrophobicContact CZ-CG 3.81Å; F279-M283 HydrophobicContact CZ-SD 4.09Å; F279-M283 WeakPolarHBondContact O-CG 3.49Å; F279-M283 PolarHBondContact O-N 3.2Å; A280-M283 PolarHBondContact O-N 2.89Å; A281-M283 VanDerWaalsContact C-N 3.34Å; M283-Y285 VanDerWaalsContact C-N 3.3Å; M283-Y285 PolarHBondContact O-N 3.07Å; M283-G286 PolarHBondContact O-N 3.21Å; M283-T287 WeakPolarHBondContact O-CG2 3.27Å; M283-T287 PolarHBondContact O-N 2.83Å; M283-T287 PolarHBondContact O-OG1 3.06Å
284E92Very high89.9Confident17 Ų1751.1 Ų51.18%0.07926%0.262CS..Hα-helixtrans-54.2-49.8173-175-90.1-174.800110.5F226 A280 G286 T287 L288 I373 S377F226-E284 HydrophobicContact CE1-CG 4.39Å; A280-E284 WeakPolarHBondContact O-CB 3.43Å; A280-E284 PolarHBondContact O-N 3.16Å; E284-G286 PolarHBondContact O-N 3.41Å; E284-T287 PolarHBondContact O-N 2.67Å; E284-T287 PolarHBondContact O-OG1 3.29Å; E284-L288 WeakPolarHBondContact O-CB 3.33Å; E284-L288 PolarHBondContact O-N 3.22Å; E284-I373 HydrophobicContact CG-CG2 4.17Å; E284-I373 WeakPolarHBondContact OE1-CG2 3.34Å; E284-S377 WeakPolarHBondContact CG-OG 3.2Å; E284-S377 WeakPolarHBondContact OE1-CB 3.34Å; E284-S377 PolarHBondContact OE1-OG 3.11Å
285Y89.1Confident88.7Confident13 Ų1357.7 Ų57.75%0.05129%0.287CS..Hα-helixtrans-62.1-43.1177.8170.8-104.6000112.2V233 R236 T237 A281 L282 M283 T287 L288 H289V233-Y285 VanDerWaalsContact CA-OH 3.24Å; V233-Y285 WeakPolarHBondContact CA-OH 3.44Å; V233-Y285 WeakPolarHBondContact CB-OH 3.28Å; V233-Y285 VanDerWaalsContact CG1-OH 3.28Å; V233-Y285 WeakPolarHBondContact CG1-OH 3.45Å; V233-Y285 WeakPolarHBondContact CG2-OH 3.36Å; R236-Y285 HydrophobicContact CB-CD1 4.36Å; R236-Y285 HydrophobicContact CB-CD2 3.86Å; R236-Y285 HydrophobicContact CB-CE1 4.29Å; R236-Y285 HydrophobicContact CB-CE2 3.74Å; R236-Y285 HydrophobicContact CB-CG 4.15Å; R236-Y285 HydrophobicContact CG-CD2 4.28Å; R236-Y285 HydrophobicContact CG-CE2 4.2Å; T237-Y285 HydrophobicContact CG2-CD1 4.24Å; T237-Y285 HydrophobicContact CG2-CE1 3.42Å; T237-Y285 VanDerWaalsContact CG2-CE1 3.42Å; A281-Y285 PolarHBondContact O-N 3.1Å; L282-Y285 PolarHBondContact O-N 3.46Å; M283-Y285 VanDerWaalsContact C-N 3.3Å; M283-Y285 PolarHBondContact O-N 3.07Å; Y285-T287 VanDerWaalsContact C-N 3.33Å; Y285-T287 PolarHBondContact O-N 3.22Å; Y285-L288 PolarHBondContact O-N 2.97Å; Y285-H289 HydrophobicContact CE2-CB 4.46Å; Y285-H289 WeakPolarHBondContact O-CB 3.47Å; Y285-H289 PolarHBondContact O-N 3.31Å
286G88.8Confident87.5Confident31 Ų3159.8 Ų59.832%0.3230%0.298SS..Hα-helixtrans-57.9-44.6176.200000112.5L282 M283 E284 Y290L282-G286 PolarHBondContact O-N 3.32Å; L282-G286 VanDerWaalsContact O-N 3.08Å; M283-G286 PolarHBondContact O-N 3.21Å; E284-G286 PolarHBondContact O-N 3.41Å; G286-Y290 WeakPolarHBondContact O-CB 3.45Å; G286-Y290 PolarHBondContact O-N 2.94Å
287T87.4Confident86.3Confident59 Ų5957.8 Ų57.836%0.36229%0.291SS..Hα-helixtrans-66.8-40.617662.70000112.2M283 E284 Y285 Y290 F291M283-T287 WeakPolarHBondContact O-CG2 3.27Å; M283-T287 PolarHBondContact O-N 2.83Å; M283-T287 PolarHBondContact O-OG1 3.06Å; E284-T287 PolarHBondContact O-N 2.67Å; E284-T287 PolarHBondContact O-OG1 3.29Å; Y285-T287 VanDerWaalsContact C-N 3.33Å; Y285-T287 PolarHBondContact O-N 3.22Å; T287-Y290 PolarHBondContact O-N 3.36Å; T287-F291 WeakPolarHBondContact O-CD2 3.34Å; T287-F291 PolarHBondContact O-N 3.46Å
288L86.8Confident85Confident3 Ų364 Ų642%0.01632%0.318CS..Hα-helixtrans-62.6-45.3177.6-171150.9000111.3K230 E284 Y285 T292 I373 D374K230-L288 HydrophobicContact CB-CD2 4.05Å; E284-L288 WeakPolarHBondContact O-CB 3.33Å; E284-L288 PolarHBondContact O-N 3.22Å; Y285-L288 PolarHBondContact O-N 2.97Å; L288-T292 HydrophobicContact CD2-CG2 4.15Å; L288-T292 WeakPolarHBondContact O-CB 3.34Å; L288-T292 VanDerWaalsContact O-CG2 3.25Å; L288-T292 WeakPolarHBondContact O-CG2 3.37Å; L288-T292 PolarHBondContact O-N 3.38Å; L288-T292 PolarHBondContact O-OG1 2.9Å; L288-I373 HydrophobicContact CD1-CB 4.18Å; L288-I373 HydrophobicContact CD1-CG2 4.27Å; L288-D374 HydrophobicContact CD1-CB 4.41Å; L288-D374 VanDerWaalsContact CD1-CG 3.47Å; L288-D374 WeakPolarHBondContact CD1-OD1 3.48Å
289H86.9Confident83.6Confident82 Ų8271 Ų7138%0.3835%0.348SS..Hα-helixtrans-63.1-44.4176.6-178-98.1000111.7Y285 T292 S293Y285-H289 HydrophobicContact CE2-CB 4.46Å; Y285-H289 WeakPolarHBondContact O-CB 3.47Å; Y285-H289 PolarHBondContact O-N 3.31Å; H289-T292 WeakPolarHBondContact CA-OG1 3.47Å; H289-T292 PolarHBondContact O-N 3.46Å; H289-T292 PolarHBondContact O-OG1 2.87Å; H289-T292 VanDerWaalsContact O-OG1 3.05Å; H289-S293 VanDerWaalsContact O-CB 3.22Å; H289-S293 WeakPolarHBondContact O-CB 3.45Å; H289-S293 PolarHBondContact O-N 2.94Å
290Y87.6Confident82.1Confident144 Ų14469.4 Ų69.457%0.56535%0.349SS*.Hα-helixtrans-60.8-48.3177.7179.8-101.7000112.4G286 T287 N294G286-Y290 WeakPolarHBondContact O-CB 3.45Å; G286-Y290 PolarHBondContact O-N 2.94Å; T287-Y290 PolarHBondContact O-N 3.36Å; Y290-N294 VanDerWaalsContact CE1-ND2 3.3Å; Y290-N294 WeakPolarHBondContact CE1-ND2 3.38Å; Y290-N294 WeakPolarHBondContact O-CB 3.17Å; Y290-N294 PolarHBondContact O-N 2.95Å; Y290-N294 PolarHBondContact OH-ND2 2.97Å
291F85.3Confident80.7Confident97 Ų9774.8 Ų74.843%0.42537%0.366SS..Hα-helixtrans-70.7-33.8-178.7-72.5-55.1000113.5T287 R295 V370T287-F291 WeakPolarHBondContact O-CD2 3.34Å; T287-F291 PolarHBondContact O-N 3.46Å; F291-R295 WeakPolarHBondContact O-CG 3.35Å; F291-R295 PolarHBondContact O-N 3.49Å; F291-V370 HydrophobicContact CB-CB 4.46Å; F291-V370 HydrophobicContact CB-CG1 3.6Å; F291-V370 HydrophobicContact CB-CG2 3.95Å; F291-V370 HydrophobicContact CG-CG2 4.39Å
292T82.1Confident79.2Confident34 Ų3477.2 Ų77.221%0.20939%0.386CS..Hα-helixtrans-71-45.7176.350.50000111.4L288 H289 R295 Q296 V370L288-T292 HydrophobicContact CD2-CG2 4.15Å; L288-T292 WeakPolarHBondContact O-CB 3.34Å; L288-T292 VanDerWaalsContact O-CG2 3.25Å; L288-T292 WeakPolarHBondContact O-CG2 3.37Å; L288-T292 PolarHBondContact O-N 3.38Å; L288-T292 PolarHBondContact O-OG1 2.9Å; H289-T292 WeakPolarHBondContact CA-OG1 3.47Å; H289-T292 PolarHBondContact O-N 3.46Å; H289-T292 PolarHBondContact O-OG1 2.87Å; H289-T292 VanDerWaalsContact O-OG1 3.05Å; T292-R295 PolarHBondContact O-N 3.08Å; T292-Q296 WeakPolarHBondContact O-CG 3.41Å; T292-Q296 PolarHBondContact O-N 3.46Å; T292-V370 HydrophobicContact CG2-CG1 3.93Å
293S80Confident77.5Confident48 Ų4880.2 Ų80.234%0.33640%0.402SS..Hα-helixtrans-59.8-50.4175.9-179.40000111.9H289 R295 Q296 T297H289-S293 VanDerWaalsContact O-CB 3.22Å; H289-S293 WeakPolarHBondContact O-CB 3.45Å; H289-S293 PolarHBondContact O-N 2.94Å; S293-R295 PolarHBondContact O-N 3.15Å; S293-R295 VanDerWaalsContact O-N 3.17Å; S293-Q296 WeakPolarHBondContact O-CB 3.41Å; S293-Q296 PolarHBondContact O-N 2.93Å; S293-T297 PolarHBondContact O-N 3.37Å; S293-T297 PolarHBondContact O-OG1 2.83Å; S293-T297 VanDerWaalsContact O-OG1 3.07Å
294N76.8Confident75.9Confident63 Ų6380.6 Ų80.634%0.33741%0.406SS..Hα-helixtrans-58.4-34.1177.8-95.3-11.9000113.4Y290 K298Y290-N294 VanDerWaalsContact CE1-ND2 3.3Å; Y290-N294 WeakPolarHBondContact CE1-ND2 3.38Å; Y290-N294 WeakPolarHBondContact O-CB 3.17Å; Y290-N294 PolarHBondContact O-N 2.95Å; Y290-N294 PolarHBondContact OH-ND2 2.97Å; N294-K298 WeakPolarHBondContact O-CG 3.39Å; N294-K298 PolarHBondContact O-N 3.12Å
295R72.4Confident74.2Confident137 Ų13782.7 Ų82.752%0.51742%0.423SS..Hα-helixtrans-73-37.5175.2-74.1179.296.9-177.77.5112.1F291 T292 S293 T297 K298 K299F291-R295 WeakPolarHBondContact O-CG 3.35Å; F291-R295 PolarHBondContact O-N 3.49Å; T292-R295 PolarHBondContact O-N 3.08Å; S293-R295 PolarHBondContact O-N 3.15Å; S293-R295 VanDerWaalsContact O-N 3.17Å; R295-T297 VanDerWaalsContact C-N 3.35Å; R295-K298 PolarHBondContact O-N 3.31Å; R295-K299 WeakPolarHBondContact O-CG 3.4Å; R295-K299 PolarHBondContact O-N 3.4Å
296Q70Confident72.6Confident119 Ų11985.1 Ų85.156%0.55645%0.446SS*.Hα-helixtrans-62.5-42.9173.2-71.8178.4-2.300110.9T292 S293 K298 K299 S300T292-Q296 WeakPolarHBondContact O-CG 3.41Å; T292-Q296 PolarHBondContact O-N 3.46Å; S293-Q296 WeakPolarHBondContact O-CB 3.41Å; S293-Q296 PolarHBondContact O-N 2.93Å; Q296-K298 PolarHBondContact O-N 2.89Å; Q296-K299 PolarHBondContact O-N 2.84Å; Q296-S300 WeakPolarHBondContact O-CB 3.42Å; Q296-S300 PolarHBondContact O-N 3.04Å
297T69.6Low70.9Confident65 Ų6590.9 Ų90.940%0.39946%0.464SS..Hα-helixtrans-62-42.5175-44.40000112.3S293 R295 S300 K301S293-T297 PolarHBondContact O-N 3.37Å; S293-T297 PolarHBondContact O-OG1 2.83Å; S293-T297 VanDerWaalsContact O-OG1 3.07Å; R295-T297 VanDerWaalsContact C-N 3.35Å; T297-S300 PolarHBondContact O-N 3.31Å; T297-K301 WeakPolarHBondContact O-CG 3.33Å; T297-K301 PolarHBondContact O-N 3.25Å
298K68.5Low69.2Low159 Ų15996.4 Ų96.469%0.69149%0.486SS*.Hα-helixtrans-64.9-40.9175.9-76.2-177.6179.4-174.40112.7N294 R295 Q296 K301 A302N294-K298 WeakPolarHBondContact O-CG 3.39Å; N294-K298 PolarHBondContact O-N 3.12Å; R295-K298 PolarHBondContact O-N 3.31Å; Q296-K298 PolarHBondContact O-N 2.89Å; K298-K301 PolarHBondContact O-N 2.74Å; K298-A302 WeakPolarHBondContact O-CB 3.33Å; K298-A302 PolarHBondContact O-N 3.22Å
299K66Low67.3Low149 Ų149106.6 Ų106.665%0.64852%0.524SS*.Hα-helixtrans-64.7-41.3175-77.5-173.4175.3-170.20112.1R295 Q296 A302 N303R295-K299 WeakPolarHBondContact O-CG 3.4Å; R295-K299 PolarHBondContact O-N 3.4Å; Q296-K299 PolarHBondContact O-N 2.84Å; K299-A302 PolarHBondContact O-N 2.92Å; K299-N303 WeakPolarHBondContact O-CB 3.48Å; K299-N303 PolarHBondContact O-N 3.27Å
300S63.8Low65Low64 Ų64108 Ų10845%0.44854%0.538SS..Hα-helixtrans-62.3-44.8175.9178.40000111.8Q296 T297 A302 N303 N304Q296-S300 WeakPolarHBondContact O-CB 3.42Å; Q296-S300 PolarHBondContact O-N 3.04Å; T297-S300 PolarHBondContact O-N 3.31Å; S300-A302 PolarHBondContact O-N 3.3Å; S300-N303 PolarHBondContact O-N 3.43Å; S300-N304 PolarHBondContact O-N 2.91Å
301K63.8Low62.8Low148 Ų148106.3 Ų106.364%0.64355%0.545SS*.Hα-helixtrans-63.7-37.4174.9-72.1-176.2178.1-173.40113.4T297 K298 S305T297-K301 WeakPolarHBondContact O-CG 3.33Å; T297-K301 PolarHBondContact O-N 3.25Å; K298-K301 PolarHBondContact O-N 2.74Å; K301-S305 PolarHBondContact O-N 3.18Å; K301-S305 PolarHBondContact O-OG 3.44Å
302A60.8Low60.4Low53 Ų53107.2 Ų107.244%0.43856%0.563SS.*Hα-helixtrans-70.3-39.3176.900000112.8K298 K299 S300 S305 A306K298-A302 WeakPolarHBondContact O-CB 3.33Å; K298-A302 PolarHBondContact O-N 3.22Å; K299-A302 PolarHBondContact O-N 2.92Å; S300-A302 PolarHBondContact O-N 3.3Å; A302-S305 WeakPolarHBondContact CA-OG 3.15Å; A302-S305 PolarHBondContact O-N 2.87Å; A302-S305 PolarHBondContact O-OG 3.07Å; A302-S305 VanDerWaalsContact O-OG 3.11Å; A302-A306 PolarHBondContact O-N 2.65Å
303N58.8Low58.2Low110 Ų110114.5 Ų114.559%0.58860%0.597SS**Hα-helixtrans-67.5-40.7175.9-78.45.3000111.7K299 S300 S305 A306 Q307K299-N303 WeakPolarHBondContact O-CB 3.48Å; K299-N303 PolarHBondContact O-N 3.27Å; S300-N303 PolarHBondContact O-N 3.43Å; N303-S305 VanDerWaalsContact C-N 3.29Å; N303-S305 PolarHBondContact O-N 3.08Å; N303-A306 PolarHBondContact O-N 3.07Å; N303-Q307 PolarHBondContact O-N 2.97Å
304N57.7Low56.1Low97 Ų97118.7 Ų118.752%0.51962%0.62SS.*Hα-helixtrans-64.9-31.7176.6-71.4-1.7000112.8S300S300-N304 PolarHBondContact O-N 2.91Å
305S57.1Low54.1Low62 Ų62123.3 Ų123.343%0.43465%0.645SS.*Hα-helixtrans-81.8-24.7176.5380000113.5K301 A302 N303K301-S305 PolarHBondContact O-N 3.18Å; K301-S305 PolarHBondContact O-OG 3.44Å; A302-S305 WeakPolarHBondContact CA-OG 3.15Å; A302-S305 PolarHBondContact O-N 2.87Å; A302-S305 PolarHBondContact O-OG 3.07Å; A302-S305 VanDerWaalsContact O-OG 3.11Å; N303-S305 VanDerWaalsContact C-N 3.29Å; N303-S305 PolarHBondContact O-N 3.08Å
306A54.3Low52.3Low64 Ų64124.2 Ų124.253%0.52966%0.658SS.*Hα-helixtrans-73.9-34.2169.900000112.4A302 N303 Q308 R309A302-A306 PolarHBondContact O-N 2.65Å; N303-A306 PolarHBondContact O-N 3.07Å; A306-Q308 VanDerWaalsContact C-N 3.27Å; A306-Q308 PolarHBondContact O-N 3.34Å; A306-R309 PolarHBondContact O-N 3.37Å
307Q52.2Low50.4Low152 Ų152130 Ų13071%0.7168%0.675SS**Hα-helixtrans-70.3-20.1178.3-122.8164.8-9.100113.8N303N303-Q307 PolarHBondContact O-N 2.97Å
308Q52.5Low49Very low174 Ų174133.1 Ų133.181%0.81370%0.697SS**THydrogen-bonded Turntrans-84.4-6.7173.8-78.9179-24.400114.2A306A306-Q308 VanDerWaalsContact C-N 3.27Å; A306-Q308 PolarHBondContact O-N 3.34Å
309R46.9Very low47.1Very low217 Ų217129.2 Ų129.282%0.81970%0.701SS**  trans-106.348.6-179.4-70.9-174.1179.1-177.5-0.8112.9A306A306-R309 PolarHBondContact O-N 3.37Å
310V38.4Very low45.5Very low112 Ų112128.7 Ų128.768%0.67971%0.71SS**  trans-108.3104.2164.4-1710000107.9S312V310-S312 PolarHBondContact O-N 3.45Å
311P41.3Very low43.8Very low109 Ų109130.5 Ų130.571%0.70872%0.723SS**  trans-74.7120166.426.3-22.3000108.3M313P311-M313 PolarHBondContact O-N 3.25Å
312S35.5Very low42.2Very low115 Ų115131.1 Ų131.180%0.80473%0.733SS**  trans-57.1105.5172.9-52.60000109.8V310 V314V310-S312 PolarHBondContact O-N 3.45Å; S312-V314 PolarHBondContact O-N 3.23Å
313M36.2Very low40.6Very low188 Ų188136.4 Ų136.493%0.92675%0.753SS**PPolyproline II helixtrans-73.3125.5173.3-89.4-169.5-80.400110.6P311P311-M313 PolarHBondContact O-N 3.25Å
314V35.6Very low39.2Very low135 Ų135140.6 Ų140.682%0.81877%0.769SS**PPolyproline II helixtrans-62.6139179.2171.50000111.6S312S312-V314 PolarHBondContact O-N 3.23Å
315N33.9Very low37.6Very low161 Ų161142.9 Ų142.986%0.86178%0.778SS**PPolyproline II helixtrans-83.1132.6177.4-134.2-7.2000110.7
316I34.3Very low36.3Very low155 Ų155145.9 Ų145.980%0.79579%0.79SS**PPolyproline II helixtrans-83134.2-172.3-64.3167.2000111.5
317R30.4Very low35Very low242 Ų242148.8 Ų148.891%0.91380%0.796SS**  trans-139.6138.3151.6-94.3-173.3176.9-175.1-0.8109.8
318P40.5Very low33.8Very low130 Ų130148.2 Ų148.284%0.84480%0.796SS**  trans-92.2140.3-176.435.4-30000111.4
319G30Very low33Very low76 Ų76145.8 Ų145.878%0.78479%0.793SS**  trans-158.3112.3174.600000109.7
320T30.8Very low32.3Very low138 Ų138140.6 Ų140.685%0.84779%0.788SS**  trans-46.8139.5-179.643.50000115.5
321S29Very low31.7Very low103 Ų103144.2 Ų144.272%0.7279%0.791SS**  145.3144.8110.466.90000113.8
322L29.3Very low31Very low161 Ų161148 Ų14884%0.84380%0.798SS**  trans86.7106.3157-58.3174.2000119.7
323L28.7Very low30.8Very low164 Ų164149.8 Ų149.886%0.85979%0.794SS**  trans-34.5139.4152.1-67.2139.6000114
324Q28.2Very low30.3Very low197 Ų197148.8 Ų148.892%0.92179%0.792SS**  -145.8124.4127.3-147169.81.700112.2
325M25.2Very low29.9Very low146 Ų146148.2 Ų148.272%0.71979%0.785SS**  trans-77150.3176.9-171.698.5143.500110.7
326N29.6Very low29.7Very low125 Ų125150.3 Ų150.367%0.66878%0.782SS**  trans138.4111.9135.5-85.7-12.3000112.3
327N27.2Very low29.3Very low124 Ų124147.6 Ų147.666%0.66378%0.782SS**  76.9130.780.9-86-4000109.7
328I27.4Very low29.3Very low140 Ų140147 Ų14772%0.71878%0.782SS**  cis-169.3146.437.3-101.4143.4000107.3
329V34.3Very low28.7Very low124 Ų124147.8 Ų147.875%0.75278%0.779SS**  trans-93.3139.9163.2176.60000107.5Y331V329-Y331 HydrophobicContact CG1-CD2 4.45Å
330P32.7Very low28.7Very low108 Ų108150.6 Ų150.670%0.70179%0.785SS**  -146126.8111.926.9-5.7000113
331Y25.4Very low28.9Very low188 Ų188151.8 Ų151.874%0.73779%0.785SS**  64.410994.8-108.8-86.2000115.2V329V329-Y331 HydrophobicContact CG1-CD2 4.45Å
332H27.8Very low29.2Very low189 Ų189154.3 Ų154.388%0.87579%0.791SS**  trans-156.3122.6138.6-118.2-71000109.7
333E29.6Very low29.3Very low152 Ų152150 Ų15071%0.7179%0.785SS**  trans-73.6138.6163.3-72.7174143.300108.9
334D26Very low29.6Very low166 Ų166151.3 Ų151.389%0.88878%0.784SS**  trans-171.8160.6134.7-92.9-29.9000110.8
335D26.9Very low29.8Very low123 Ų123149.3 Ų149.366%0.65878%0.779SS**  trans-91.6157.5-145.8-133.9-13.4000114.7
336Y30.1Very low30.1Very low206 Ų206148.7 Ų148.781%0.80879%0.788SS**  trans62.7104.9169.1-56.6-78.5000120.8
337A25.6Very low30.3Very low97 Ų97147.3 Ų147.380%0.80279%0.794SS**  -174.7139.913000000110.9D339A337-D339 PolarHBondContact O-N 3.08Å
338Y31.5Very low30.8Very low231 Ų231146.1 Ų146.191%0.90680%0.795SS**  trans-57.3125.7171.9-85.4-100.3000111.1
339D27Very low31.2Very low146 Ų146149.2 Ų149.278%0.78180%0.804SS**  trans-143.9106.1156.3-98.3-27.3000110.7A337 L341A337-D339 PolarHBondContact O-N 3.08Å; D339-L341 PolarHBondContact O-N 3.3Å
340C31.3Very low31.1Very low134 Ų134150.8 Ų150.891%0.90580%0.801SS**  trans-7399.8159.9-84.60000107.5
341L34.4Very low31.4Very low164 Ų164151 Ų15186%0.85980%0.804SS**  trans-84.7126.2171.5-90.6158.7000111.4D339D339-L341 PolarHBondContact O-N 3.3Å
342D34.2Very low32Very low156 Ų156148.1 Ų148.183%0.83481%0.81SS**  trans-72.6136.6-167-157.3-1.9000112.6
343G31.6Very low32.6Very low70 Ų70146.5 Ų146.572%0.72280%0.801SS**  trans-166.941.6-169.500000115.8
344K35.7Very low33.2Very low191 Ų191145.9 Ų145.983%0.8380%0.802SS**SBendtrans75.3125.7167.9-86.1174.4175.4166.50118.8
345D31.3Very low33.8Very low155 Ų155143 Ų14383%0.82979%0.787SS**  trans86.160.6163.7-55.3-17.6000117.9A347D345-A347 PolarHBondContact O-N 3.15Å
346C32.3Very low34.7Very low134 Ų134141.2 Ų141.291%0.90578%0.783SS**  trans-73.6102.3157.9-76.30000111.6
347A34.6Very low35.2Very low96 Ų96142.3 Ų142.379%0.79379%0.785SS**  trans-134.662159.400000111D345D345-A347 PolarHBondContact O-N 3.15Å
348S36.9Very low36.2Very low99 Ų99141.5 Ų141.569%0.69277%0.774SS**  trans173.6134.3143.448.40000110.5F350S348-F350 PolarHBondContact O-N 2.82Å
349F35.2Very low36.8Very low205 Ų205132.2 Ų132.290%0.89975%0.749SS**SBendtrans-76.925.4-170.1-151.8-99.6000114.1
350F33.1Very low37.5Very low157 Ų157127.7 Ų127.769%0.68973%0.731SS**  trans-143.679.9-172.4-89.8-85.6000111.8S348S348-F350 PolarHBondContact O-N 2.82Å
351C38.5Very low38.2Very low113 Ų113132 Ų13276%0.76473%0.729SS**  trans-135.840.7169.2-92.10000112.5
352C38.7Very low38.8Very low127 Ų127133.6 Ų133.686%0.85872%0.723SS**SBendtrans-125.737.4168.3-760000112.4
353F40Very low39.1Very low155 Ų155133.6 Ų133.668%0.6872%0.718SS**  trans-136.4124.3168.7-92.5-85.1000109.3D355 C356F353-D355 PolarHBondContact O-N 2.76Å; F353-D355 VanDerWaalsContact O-N 3.14Å; F353-C356 PolarHBondContact O-N 2.86Å; F353-C356 VanDerWaalsContact O-N 3.13Å
354D42Very low39.4Very low139 Ų139138.1 Ų138.174%0.74373%0.726SS**G310 helixtrans-59.7-21.1178.8-109.7-36.3000112.9C356 R357D354-C356 PolarHBondContact O-N 2.87Å; D354-C356 VanDerWaalsContact O-N 3.17Å; D354-R357 PolarHBondContact O-N 2.94Å
355D39.9Very low39.7Very low106 Ų106138.5 Ų138.557%0.56772%0.722SS**G310 helixtrans-68.4-7.8175.6-76.2-27.1000114.8F353 S358F353-D355 PolarHBondContact O-N 2.76Å; F353-D355 VanDerWaalsContact O-N 3.14Å; D355-S358 PolarHBondContact O-OG 3.4Å
356C44Very low40Very low84 Ų84139.7 Ų139.757%0.56873%0.725SS**G310 helixtrans-83.2-20.5174.9-138.70000112.3F353 D354F353-C356 PolarHBondContact O-N 2.86Å; F353-C356 VanDerWaalsContact O-N 3.13Å; D354-C356 PolarHBondContact O-N 2.87Å; D354-C356 VanDerWaalsContact O-N 3.17Å
357R41.5Very low40.4Very low229 Ų229140.8 Ų140.886%0.86472%0.716SS**THydrogen-bonded Turntrans-80.5-25.3-178.2-159175.3-174.81731.5112.9D354D354-R357 PolarHBondContact O-N 2.94Å
358S46Very low41.2Very low81 Ų81140.3 Ų140.357%0.56670%0.703SS**SBendtrans-87.6-9.2-178.556.90000114.2D355 A360D355-S358 PolarHBondContact O-OG 3.4Å; S358-A360 PolarHBondContact O-N 3.23Å; S358-A360 VanDerWaalsContact O-N 3.15Å
359G45.3Very low42.2Very low36 Ų36143.1 Ų143.137%0.37170%0.699SS.*  trans67.710.8175.400000115.3W361 R362G359-W361 PolarHBondContact O-N 3.37Å; G359-W361 VanDerWaalsContact O-N 3.11Å; G359-R362 WeakPolarHBondContact O-CB 3.46Å; G359-R362 PolarHBondContact O-N 2.99Å
360A41.5Very low43.4Very low50 Ų50134.2 Ų134.241%0.41366%0.661SS.*G310 helixtrans-59-23.5-178.900000113.4S358 R362 E363S358-A360 PolarHBondContact O-N 3.23Å; S358-A360 VanDerWaalsContact O-N 3.15Å; A360-R362 PolarHBondContact O-N 2.9Å; A360-R362 VanDerWaalsContact O-N 3.09Å; A360-E363 PolarHBondContact O-N 3.42Å
361W44.9Very low44.9Very low226 Ų226131.2 Ų131.286%0.85666%0.659SS**G310 helixtrans-64.8-8.3172.2-86.383.5000114.8G359G359-W361 PolarHBondContact O-N 3.37Å; G359-W361 VanDerWaalsContact O-N 3.11Å
362R47.4Very low46.7Very low196 Ų196130.1 Ų130.174%0.7464%0.642SS**G310 helixtrans-94.2-13.3174.7-70.3-174.8176.9-178.92.7114.2G359 A360 N364G359-R362 WeakPolarHBondContact O-CB 3.46Å; G359-R362 PolarHBondContact O-N 2.99Å; A360-R362 PolarHBondContact O-N 2.9Å; A360-R362 VanDerWaalsContact O-N 3.09Å; R362-N364 PolarHBondContact O-N 3.18Å
363E41.3Very low48.7Very low156 Ų156125.3 Ų125.373%0.72961%0.607SS**THydrogen-bonded Turntrans-76-20.7-169.2-79172.714500114.4A360A360-E363 PolarHBondContact O-N 3.42Å
364N36.6Very low50.8Low166 Ų166118.8 Ų118.889%0.88858%0.579SS**THydrogen-bonded Turntrans-103.412180-84.5-14.1000115.6R362R362-N364 PolarHBondContact O-N 3.18Å
365R42.6Very low52.9Low198 Ų198115.1 Ų115.175%0.74757%0.565SS**SBendtrans-92113.9164.7-66.5-163.4-162.8-159.25.2108.5H367R365-H367 VanDerWaalsContact C-N 3.34Å; R365-H367 PolarHBondContact O-N 3.42Å
366M38.3Very low55.3Low180 Ų180116.8 Ų116.889%0.88756%0.564SS**  trans-50101.2165-82.8-146.2-96.900109.1V368M366-V368 HydrophobicContact CB-CG2 4.48Å; M366-V368 PolarHBondContact O-N 3.05Å
367H40.9Very low57.5Low158 Ų158113.3 Ų113.373%0.73154%0.54SS*.  trans-73.475.7172.4-83.3-60.8000107.8R365 R369R365-H367 VanDerWaalsContact C-N 3.34Å; R365-H367 PolarHBondContact O-N 3.42Å; H367-R369 VanDerWaalsContact C-N 3.34Å; H367-R369 PolarHBondContact O-N 2.75Å
368V51.4Low59.9Low85 Ų85106.7 Ų106.752%0.51552%0.515SS..  trans-60.6103.8168-179.20000106.2M366 V370 I373M366-V368 HydrophobicContact CB-CG2 4.48Å; M366-V368 PolarHBondContact O-N 3.05Å; V368-V370 VanDerWaalsContact C-N 3.34Å; V368-V370 PolarHBondContact O-N 3.09Å; V368-I373 HydrophobicContact CG1-CD1 4.25Å; V368-I373 HydrophobicContact CG1-CG1 3.89Å
369R57.6Low62.1Low159 Ų159108.1 Ų108.160%0.652%0.516SS*.  trans-66.6100.2177.3-159.8179.4-74.9-176.9-1.9105.6H367 S371 K372H367-R369 VanDerWaalsContact C-N 3.34Å; H367-R369 PolarHBondContact O-N 2.75Å; R369-S371 PolarHBondContact O-N 2.87Å; R369-K372 HydrophobicContact CB-CD 4.46Å; R369-K372 HydrophobicContact CB-CG 4.36Å; R369-K372 WeakPolarHBondContact O-CA 3.49Å; R369-K372 WeakPolarHBondContact O-CB 3.49Å; R369-K372 PolarHBondContact O-N 3.03Å
370V60.8Low64.4Low18 Ų18112.7 Ų112.711%0.10953%0.526CS..G310 helixtrans-48.8-29.9-175.3179.50000112.9F291 T292 V368 K372 I373F291-V370 HydrophobicContact CB-CB 4.46Å; F291-V370 HydrophobicContact CB-CG1 3.6Å; F291-V370 HydrophobicContact CB-CG2 3.95Å; F291-V370 HydrophobicContact CG-CG2 4.39Å; T292-V370 HydrophobicContact CG2-CG1 3.93Å; V368-V370 VanDerWaalsContact C-N 3.34Å; V368-V370 PolarHBondContact O-N 3.09Å; V370-K372 PolarHBondContact O-N 3.41Å; V370-I373 HydrophobicContact CB-CD1 4.26Å; V370-I373 HydrophobicContact CG1-CD1 4.04Å; V370-I373 HydrophobicContact CG2-CD1 4.49Å; V370-I373 WeakPolarHBondContact O-CG1 3.42Å; V370-I373 PolarHBondContact O-N 2.76Å
371S63.7Low66.9Low93 Ų93111 Ų11165%0.6551%0.509SS*.G310 helixtrans-70.9-11.717666.60000115.1R369R369-S371 PolarHBondContact O-N 2.87Å
372K76.7Confident69.3Low91 Ų91102.3 Ų102.340%0.39648%0.482SS..G310 helixtrans-104.2-1.8177.9-66.7-170.3173.5-171.10112.7R369 V370 S375 Y376R369-K372 HydrophobicContact CB-CD 4.46Å; R369-K372 HydrophobicContact CB-CG 4.36Å; R369-K372 WeakPolarHBondContact O-CA 3.49Å; R369-K372 WeakPolarHBondContact O-CB 3.49Å; R369-K372 PolarHBondContact O-N 3.03Å; V370-K372 PolarHBondContact O-N 3.41Å; K372-S375 WeakPolarHBondContact O-CA 3.38Å; K372-S375 WeakPolarHBondContact O-CB 3.32Å; K372-S375 PolarHBondContact O-N 3.19Å; K372-Y376 HydrophobicContact CB-CD2 4.17Å; K372-Y376 HydrophobicContact CB-CE2 3.81Å; K372-Y376 WeakPolarHBondContact O-CD2 3.49Å; K372-Y376 PolarHBondContact O-N 2.96Å
373I81.3Confident71.6Confident25 Ų2597 Ų9713%0.12847%0.471CS..Hα-helixtrans-58.9-50.9-178.9-65.8174.8000110.1E284 L288 V368 V370 S375 Y376 S377E284-I373 HydrophobicContact CG-CG2 4.17Å; E284-I373 WeakPolarHBondContact OE1-CG2 3.34Å; L288-I373 HydrophobicContact CD1-CB 4.18Å; L288-I373 HydrophobicContact CD1-CG2 4.27Å; V368-I373 HydrophobicContact CG1-CD1 4.25Å; V368-I373 HydrophobicContact CG1-CG1 3.89Å; V370-I373 HydrophobicContact CB-CD1 4.26Å; V370-I373 HydrophobicContact CG1-CD1 4.04Å; V370-I373 HydrophobicContact CG2-CD1 4.49Å; V370-I373 WeakPolarHBondContact O-CG1 3.42Å; V370-I373 PolarHBondContact O-N 2.76Å; I373-S375 PolarHBondContact O-N 3.03Å; I373-S375 VanDerWaalsContact O-N 3.12Å; I373-Y376 PolarHBondContact O-N 3Å; I373-S377 PolarHBondContact O-N 2.97Å; I373-S377 PolarHBondContact O-OG 3.09Å
374D83.4Confident74.3Confident18 Ų1890.8 Ų90.810%0.09645%0.446CS..Hα-helixtrans-52.5-37.6173.9-79.7-36.6000112.1R236 L288 R378R236-D374 IonicContact CZ-OD1 3.56Å; R236-D374 IonicContact CZ-OD2 3.75Å; R236-D374 IonicContact NH1-OD1 2.87Å; R236-D374 PolarHBondContact NH1-OD1 3.48Å; R236-D374 IonicContact NH1-OD2 3.54Å; R236-D374 IonicContact NH2-OD1 3.3Å; R236-D374 PolarHBondContact NH2-OD1 2.99Å; R236-D374 IonicContact NH2-OD2 2.92Å; R236-D374 PolarHBondContact NH2-OD2 3.29Å; L288-D374 HydrophobicContact CD1-CB 4.41Å; L288-D374 VanDerWaalsContact CD1-CG 3.47Å; L288-D374 WeakPolarHBondContact CD1-OD1 3.48Å; D374-R378 WeakPolarHBondContact O-CG 3.41Å; D374-R378 PolarHBondContact O-N 3.17Å; D374-R378 VanDerWaalsContact O-N 3.13Å
375S86.7Confident77.1Confident62 Ų6283.5 Ų83.543%0.43441%0.407SS..Hα-helixtrans-70.6-35.3179.3-170.60000112.9K372 I373K372-S375 WeakPolarHBondContact O-CA 3.38Å; K372-S375 WeakPolarHBondContact O-CB 3.32Å; K372-S375 PolarHBondContact O-N 3.19Å; I373-S375 PolarHBondContact O-N 3.03Å; I373-S375 VanDerWaalsContact O-N 3.12Å
376Y88.6Confident79.7Confident142 Ų14276 Ų7656%0.55739%0.391SS*.Hα-helixtrans-73.2-42.6174.8-68.7-59.2000110.8K372 I373 R378 I379 F380K372-Y376 HydrophobicContact CB-CD2 4.17Å; K372-Y376 HydrophobicContact CB-CE2 3.81Å; K372-Y376 WeakPolarHBondContact O-CD2 3.49Å; K372-Y376 PolarHBondContact O-N 2.96Å; I373-Y376 PolarHBondContact O-N 3Å; Y376-R378 VanDerWaalsContact C-N 3.29Å; Y376-R378 PolarHBondContact O-N 3.15Å; Y376-I379 PolarHBondContact O-N 3.19Å; Y376-I379 VanDerWaalsContact O-N 3.1Å; Y376-F380 WeakPolarHBondContact O-CB 3.47Å; Y376-F380 PolarHBondContact O-N 3.47Å
377S90.3Very high82.5Confident10 Ų1073.3 Ų73.37%0.0738%0.38CS..Hα-helixtrans-58.7-39.1178.7-560000112.2E284 I373 I379 F381E284-S377 WeakPolarHBondContact CG-OG 3.2Å; E284-S377 WeakPolarHBondContact OE1-CB 3.34Å; E284-S377 PolarHBondContact OE1-OG 3.11Å; I373-S377 PolarHBondContact O-N 2.97Å; I373-S377 PolarHBondContact O-OG 3.09Å; S377-I379 PolarHBondContact O-N 3.31Å; S377-F381 WeakPolarHBondContact O-CD2 3.49Å; S377-F381 PolarHBondContact O-N 3.39Å; S377-F381 VanDerWaalsContact O-N 3.12Å
378R92.2Very high85.1Confident90 Ų9067.4 Ų67.434%0.3435%0.352SS..Hα-helixtrans-58.5-28.6176-75.6170.1-162.5-176.73.2114.5F226 D374 Y376 P382F226-R378 HydrophobicContact CB-CG 3.84Å; F226-R378 PolarHBondContact O-NE 3.27Å; F226-R378 PolarHBondContact O-NH2 3.07Å; D374-R378 WeakPolarHBondContact O-CG 3.41Å; D374-R378 PolarHBondContact O-N 3.17Å; D374-R378 VanDerWaalsContact O-N 3.13Å; Y376-R378 VanDerWaalsContact C-N 3.29Å; Y376-R378 PolarHBondContact O-N 3.15Å; R378-P382 VanDerWaalsContact O-CD 3.31Å; R378-P382 WeakPolarHBondContact O-CD 3.07Å; R378-P382 WeakPolarHBondContact O-CG 3.38Å
379I92.8Very high87.3Confident111 Ų11164.7 Ų64.757%0.56934%0.335SS*.Hα-helixtrans-98.5-45.1-179.1-62.6163.5000109.6Y376 S377 T383Y376-I379 PolarHBondContact O-N 3.19Å; Y376-I379 VanDerWaalsContact O-N 3.1Å; S377-I379 PolarHBondContact O-N 3.31Å; I379-T383 HydrophobicContact CG2-CG2 4.3Å; I379-T383 WeakPolarHBondContact O-CB 3.45Å; I379-T383 VanDerWaalsContact O-CG2 3.23Å; I379-T383 WeakPolarHBondContact O-CG2 3.44Å; I379-T383 PolarHBondContact O-N 2.92Å; I379-T383 PolarHBondContact O-OG1 2.95Å
380F93.9Very high89.1Confident133 Ų13362.2 Ų62.258%0.58333%0.333SS*.Hα-helixtrans-64.8-47.1-174.1179.8-101.1000113Y376 T383 A384Y376-F380 WeakPolarHBondContact O-CB 3.47Å; Y376-F380 PolarHBondContact O-N 3.47Å; F380-T383 WeakPolarHBondContact CA-OG1 3.43Å; F380-T383 PolarHBondContact O-N 3Å; F380-T383 PolarHBondContact O-OG1 3.32Å; F380-A384 WeakPolarHBondContact O-CB 3.25Å; F380-A384 PolarHBondContact O-N 3.14Å
381F94.6Very high90.8Very high15 Ų1565.2 Ų65.27%0.06635%0.351CS..Hα-helixtrans-65.1-48.7-176-82.2-106.3000112.7F226 F277 A280 A281 S377 F385F226-F381 HydrophobicContact CE2-CB 3.91Å; F226-F381 HydrophobicContact CE2-CD1 4.26Å; F226-F381 AromaticContact CE2-CD2 3.87Å; F226-F381 HydrophobicContact CE2-CD2 3.87Å; F226-F381 HydrophobicContact CE2-CE2 4.44Å; F226-F381 AromaticContact CE2-CG 3.77Å; F226-F381 HydrophobicContact CE2-CG 3.77Å; F226-F381 HydrophobicContact CZ-CB 4.48Å; F226-F381 HydrophobicContact CZ-CD1 4.04Å; F226-F381 AromaticContact CZ-CD2 3.73Å; F226-F381 HydrophobicContact CZ-CD2 3.73Å; F226-F381 HydrophobicContact CZ-CE1 4.15Å; F226-F381 AromaticContact CZ-CE2 3.84Å; F226-F381 HydrophobicContact CZ-CE2 3.84Å; F226-F381 AromaticContact CZ-CG 3.84Å; F226-F381 HydrophobicContact CZ-CG 3.84Å; F226-F381 HydrophobicContact CZ-CZ 4.05Å; F277-F381 AromaticContact CD1-CD1 3.91Å; F277-F381 HydrophobicContact CD1-CD1 3.91Å; F277-F381 HydrophobicContact CD1-CE1 4.42Å; A280-F381 HydrophobicContact CB-CE1 3.84Å; A280-F381 HydrophobicContact CB-CZ 4.01Å; A281-F381 HydrophobicContact CB-CE1 4.18Å; S377-F381 WeakPolarHBondContact O-CD2 3.49Å; S377-F381 PolarHBondContact O-N 3.39Å; S377-F381 VanDerWaalsContact O-N 3.12Å; F381-F385 WeakPolarHBondContact O-CB 3.42Å; F381-F385 PolarHBondContact O-N 3.21Å
382P95.3Very high92.3Very high43 Ų4361 Ų6128%0.27932%0.321SS..Hα-helixtrans-65.1-39.2177-24.236000113.6W223 R378 G386W223-P382 HydrophobicContact CD2-CG 4.08Å; W223-P382 HydrophobicContact CE3-CB 4.24Å; W223-P382 HydrophobicContact CE3-CG 3.81Å; W223-P382 HydrophobicContact CH2-CB 3.96Å; W223-P382 HydrophobicContact CH2-CG 4.3Å; W223-P382 HydrophobicContact CZ2-CB 4.49Å; W223-P382 HydrophobicContact CZ3-CB 3.82Å; W223-P382 HydrophobicContact CZ3-CG 3.92Å; R378-P382 VanDerWaalsContact O-CD 3.31Å; R378-P382 WeakPolarHBondContact O-CD 3.07Å; R378-P382 WeakPolarHBondContact O-CG 3.38Å; P382-G386 PolarHBondContact O-N 2.94Å
383T95.5Very high93.2Very high84 Ų8460.2 Ų60.252%0.51532%0.315SS..Hα-helixtrans-67.3-44.2179.1510000111.9I379 F380 G386 L387I379-T383 HydrophobicContact CG2-CG2 4.3Å; I379-T383 WeakPolarHBondContact O-CB 3.45Å; I379-T383 VanDerWaalsContact O-CG2 3.23Å; I379-T383 WeakPolarHBondContact O-CG2 3.44Å; I379-T383 PolarHBondContact O-N 2.92Å; I379-T383 PolarHBondContact O-OG1 2.95Å; F380-T383 WeakPolarHBondContact CA-OG1 3.43Å; F380-T383 PolarHBondContact O-N 3Å; F380-T383 PolarHBondContact O-OG1 3.32Å; T383-G386 PolarHBondContact O-N 3.07Å; T383-L387 WeakPolarHBondContact O-CB 3.24Å; T383-L387 PolarHBondContact O-N 3.47Å
384A96.3Very high93.9Very high26 Ų2662.9 Ų62.922%0.21533%0.329CS..Hα-helixtrans-63.4-42.1176.400000112F277 F380 L387 F388F277-A384 HydrophobicContact CE1-CB 3.94Å; F277-A384 HydrophobicContact CZ-CB 3.94Å; F380-A384 WeakPolarHBondContact O-CB 3.25Å; F380-A384 PolarHBondContact O-N 3.14Å; A384-L387 PolarHBondContact O-N 3.39Å; A384-F388 WeakPolarHBondContact O-CB 3.28Å; A384-F388 PolarHBondContact O-N 3.02Å
385F96.8Very high94.4Very high13 Ų1363.8 Ų63.86%0.05734%0.339CS..Hα-helixtrans-68.9-37.6176.8-171.5-111.8000112.4V219 W223 F270 F277 F381 F388 N389V219-F385 HydrophobicContact CB-CZ 4.39Å; V219-F385 HydrophobicContact CG1-CD1 4.27Å; V219-F385 HydrophobicContact CG1-CD2 4.11Å; V219-F385 HydrophobicContact CG1-CE1 4.35Å; V219-F385 HydrophobicContact CG1-CE2 4.21Å; V219-F385 HydrophobicContact CG1-CG 4.14Å; V219-F385 HydrophobicContact CG1-CZ 4.32Å; V219-F385 HydrophobicContact CG2-CE2 4.31Å; V219-F385 HydrophobicContact CG2-CZ 4.44Å; W223-F385 HydrophobicContact CH2-CB 4.1Å; W223-F385 AromaticContact CH2-CD1 3.82Å; W223-F385 HydrophobicContact CH2-CD1 3.82Å; W223-F385 HydrophobicContact CH2-CG 4.3Å; W223-F385 HydrophobicContact CZ2-CB 3.7Å; W223-F385 AromaticContact CZ2-CD1 3.91Å; W223-F385 HydrophobicContact CZ2-CD1 3.91Å; W223-F385 AromaticContact CZ2-CG 3.98Å; W223-F385 HydrophobicContact CZ2-CG 3.98Å; F270-F385 HydrophobicContact CZ-CZ 4.45Å; F277-F385 AromaticContact CD2-CD2 3.88Å; F277-F385 HydrophobicContact CD2-CD2 3.88Å; F277-F385 HydrophobicContact CE1-CB 4.32Å; F277-F385 HydrophobicContact CE2-CB 4.45Å; F277-F385 AromaticContact CE2-CD2 3.89Å; F277-F385 HydrophobicContact CE2-CD2 3.89Å; F277-F385 HydrophobicContact CG-CD2 4.45Å; F277-F385 HydrophobicContact CZ-CB 4.18Å; F277-F385 HydrophobicContact CZ-CD2 4.46Å; F381-F385 WeakPolarHBondContact O-CB 3.42Å; F381-F385 PolarHBondContact O-N 3.21Å; F385-F388 HydrophobicContact CD2-CD1 4.16Å; F385-F388 HydrophobicContact CE2-CD1 4.1Å; F385-F388 HydrophobicContact CE2-CE1 4.48Å; F385-F388 PolarHBondContact O-N 3.41Å; F385-N389 VanDerWaalsContact CD1-ND2 3.34Å; F385-N389 WeakPolarHBondContact CD1-ND2 3.49Å; F385-N389 WeakPolarHBondContact CE1-ND2 3.22Å; F385-N389 VanDerWaalsContact CZ-ND2 3.27Å; F385-N389 WeakPolarHBondContact CZ-ND2 3.47Å; F385-N389 PolarHBondContact O-N 3.17Å; F385-N389 PolarHBondContact O-ND2 3.44Å
386G96.3Very high94.7Very high41 Ų4163.4 Ų63.442%0.42333%0.328SS..Hα-helixtrans-61.5-45.3173.700000112.3P382 T383 N389 L390P382-G386 PolarHBondContact O-N 2.94Å; T383-G386 PolarHBondContact O-N 3.07Å; G386-N389 PolarHBondContact O-N 3Å; G386-L390 PolarHBondContact O-N 3.33Å
387L96.7Very high94.8Very high122 Ų12260.8 Ų60.864%0.63932%0.323SS*.Hα-helixtrans-64.3-42.2175.5-175.6139.4000111.8T383 A384 N389 L390 V391T383-L387 WeakPolarHBondContact O-CB 3.24Å; T383-L387 PolarHBondContact O-N 3.47Å; A384-L387 PolarHBondContact O-N 3.39Å; L387-N389 PolarHBondContact O-N 2.93Å; L387-L390 PolarHBondContact O-N 3.01Å; L387-V391 HydrophobicContact CD2-CG2 4.3Å; L387-V391 WeakPolarHBondContact O-CG2 3.32Å; L387-V391 PolarHBondContact O-N 3.42Å
388F97Very high94.8Very high34 Ų3469.3 Ų69.315%0.14936%0.356CS..Hα-helixtrans-57.1-48173.8167.2-104.8000111.7F270 V273 A384 F385 L390 V391 Y392F270-F388 AromaticContact CD2-CE1 3.71Å; F270-F388 HydrophobicContact CD2-CE1 3.71Å; F270-F388 HydrophobicContact CD2-CZ 4.07Å; F270-F388 AromaticContact CE2-CE1 3.92Å; F270-F388 HydrophobicContact CE2-CE1 3.92Å; V273-F388 HydrophobicContact CB-CE1 4.02Å; V273-F388 HydrophobicContact CB-CE2 3.93Å; V273-F388 HydrophobicContact CB-CZ 3.66Å; V273-F388 HydrophobicContact CG1-CD1 3.77Å; V273-F388 HydrophobicContact CG1-CD2 3.84Å; V273-F388 HydrophobicContact CG1-CE1 3.68Å; V273-F388 HydrophobicContact CG1-CE2 3.76Å; V273-F388 HydrophobicContact CG1-CG 3.85Å; V273-F388 HydrophobicContact CG1-CZ 3.68Å; V273-F388 HydrophobicContact CG2-CD2 4.36Å; V273-F388 HydrophobicContact CG2-CE2 3.68Å; V273-F388 HydrophobicContact CG2-CZ 3.85Å; A384-F388 WeakPolarHBondContact O-CB 3.28Å; A384-F388 PolarHBondContact O-N 3.02Å; F385-F388 HydrophobicContact CD2-CD1 4.16Å; F385-F388 HydrophobicContact CE2-CD1 4.1Å; F385-F388 HydrophobicContact CE2-CE1 4.48Å; F385-F388 PolarHBondContact O-N 3.41Å; F388-L390 PolarHBondContact O-N 3.03Å; F388-V391 PolarHBondContact O-N 3.13Å; F388-Y392 HydrophobicContact CE2-CD2 4.26Å; F388-Y392 AromaticContact CZ-CD2 3.89Å; F388-Y392 HydrophobicContact CZ-CD2 3.89Å; F388-Y392 HydrophobicContact CZ-CG 4.2Å; F388-Y392 WeakPolarHBondContact O-CB 3.44Å; F388-Y392 PolarHBondContact O-N 3.24Å
389N96.4Very high94.5Very high28 Ų2873.3 Ų73.315%0.1538%0.383CS..Hα-helixtrans-60.9-45.1177.9-82.8-82.6000111.4F385 G386 L387 V391 Y392 W393F385-N389 VanDerWaalsContact CD1-ND2 3.34Å; F385-N389 WeakPolarHBondContact CD1-ND2 3.49Å; F385-N389 WeakPolarHBondContact CE1-ND2 3.22Å; F385-N389 VanDerWaalsContact CZ-ND2 3.27Å; F385-N389 WeakPolarHBondContact CZ-ND2 3.47Å; F385-N389 PolarHBondContact O-N 3.17Å; F385-N389 PolarHBondContact O-ND2 3.44Å; G386-N389 PolarHBondContact O-N 3Å; L387-N389 PolarHBondContact O-N 2.93Å; N389-V391 VanDerWaalsContact C-N 3.34Å; N389-V391 PolarHBondContact O-N 2.69Å; N389-Y392 PolarHBondContact O-N 3.37Å; N389-W393 WeakPolarHBondContact O-CB 3.36Å; N389-W393 PolarHBondContact O-N 3.38Å; N389-W393 PolarHBondContact OD1-NE1 3.21Å
390L95.9Very high94.5Very high107 Ų10771.4 Ų71.456%0.5637%0.373SS*.Hα-helixtrans-57.5-48.4178.3-175.7147.7000111.4G386 L387 F388 I394G386-L390 PolarHBondContact O-N 3.33Å; L387-L390 PolarHBondContact O-N 3.01Å; F388-L390 PolarHBondContact O-N 3.03Å; L390-I394 HydrophobicContact CD2-CD1 3.66Å; L390-I394 HydrophobicContact CG-CD1 3.95Å; L390-I394 WeakPolarHBondContact O-CB 3.45Å; L390-I394 WeakPolarHBondContact O-CD1 3.38Å; L390-I394 WeakPolarHBondContact O-CG1 3.42Å; L390-I394 PolarHBondContact O-N 3.01Å; L390-I394 VanDerWaalsContact O-N 3.15Å
391V96.8Very high94.6Very high82 Ų8268.2 Ų68.250%0.49736%0.362SS..Hα-helixtrans-64.4-45.3177.7174.30000111L387 F388 N389 A395L387-V391 HydrophobicContact CD2-CG2 4.3Å; L387-V391 WeakPolarHBondContact O-CG2 3.32Å; L387-V391 PolarHBondContact O-N 3.42Å; F388-V391 PolarHBondContact O-N 3.13Å; N389-V391 VanDerWaalsContact C-N 3.34Å; N389-V391 PolarHBondContact O-N 2.69Å; V391-A395 WeakPolarHBondContact O-CB 3.47Å; V391-A395 PolarHBondContact O-N 3.11Å
392Y96.1Very high94.6Very high5 Ų571.1 Ų71.12%0.0238%0.379CS..Hα-helixtrans-60.5-52.9-177.9-180-92.1000112.2M131 Y212 A266 L269 F270 F388 N389 I394 A395 Y396M131-Y392 HydrophobicContact CE-CE1 4.38Å; Y212-Y392 AromaticContact CE1-CE1 3.8Å; Y212-Y392 HydrophobicContact CE1-CE1 3.8Å; Y212-Y392 AromaticContact CE1-CZ 3.98Å; Y212-Y392 WeakPolarHBondContact CE1-OH 3.3Å; Y212-Y392 PolarHBondContact OH-OH 3.03Å; A266-Y392 WeakPolarHBondContact O-CE2 3.4Å; A266-Y392 PolarHBondContact O-OH 3.27Å; L269-Y392 HydrophobicContact CD2-CE2 4.49Å; F270-Y392 HydrophobicContact CB-CE1 4.48Å; F270-Y392 HydrophobicContact CB-CE2 3.91Å; F270-Y392 HydrophobicContact CD2-CD1 4Å; F270-Y392 HydrophobicContact CD2-CD2 4.39Å; F270-Y392 AromaticContact CD2-CE1 3.87Å; F270-Y392 HydrophobicContact CD2-CE1 3.87Å; F270-Y392 HydrophobicContact CD2-CE2 4.26Å; F270-Y392 HydrophobicContact CD2-CG 4.27Å; F388-Y392 HydrophobicContact CE2-CD2 4.26Å; F388-Y392 AromaticContact CZ-CD2 3.89Å; F388-Y392 HydrophobicContact CZ-CD2 3.89Å; F388-Y392 HydrophobicContact CZ-CG 4.2Å; F388-Y392 WeakPolarHBondContact O-CB 3.44Å; F388-Y392 PolarHBondContact O-N 3.24Å; N389-Y392 PolarHBondContact O-N 3.37Å; Y392-I394 PolarHBondContact O-N 3.32Å; Y392-A395 PolarHBondContact O-N 3.43Å; Y392-Y396 AromaticContact CD2-CD2 3.68Å; Y392-Y396 HydrophobicContact CD2-CD2 3.68Å; Y392-Y396 AromaticContact CD2-CE2 3.69Å; Y392-Y396 HydrophobicContact CD2-CE2 3.69Å; Y392-Y396 HydrophobicContact CE1-CD2 4.42Å; Y392-Y396 AromaticContact CE2-CD2 3.54Å; Y392-Y396 HydrophobicContact CE2-CD2 3.54Å; Y392-Y396 AromaticContact CE2-CE2 3.5Å; Y392-Y396 HydrophobicContact CE2-CE2 3.5Å; Y392-Y396 VanDerWaalsContact CE2-CE2 3.5Å; Y392-Y396 HydrophobicContact CG-CD2 4.18Å; Y392-Y396 AromaticContact CZ-CD2 3.93Å; Y392-Y396 WeakPolarHBondContact O-CD2 3.5Å; Y392-Y396 PolarHBondContact O-N 3.46Å
393W95.3Very high94.5Very high73 Ų7372.8 Ų72.828%0.27739%0.385SS..Hα-helixtrans-68.7-36.1-177.5-67.8111.6000112M131 M204 Y212 N389 L397M131-W393 HydrophobicContact CE-CE3 3.97Å; M131-W393 HydrophobicContact CE-CH2 3.89Å; M131-W393 HydrophobicContact CE-CZ3 3.26Å; M204-W393 HydrophobicContact CE-CH2 3.23Å; M204-W393 HydrophobicContact CE-CZ3 3.23Å; M204-W393 HydrophobicContact SD-CZ3 4.05Å; Y212-W393 AromaticContact CD1-CH2 3.86Å; Y212-W393 HydrophobicContact CD1-CH2 3.86Å; Y212-W393 AromaticContact CD1-CZ2 3.8Å; Y212-W393 HydrophobicContact CD1-CZ2 3.8Å; Y212-W393 HydrophobicContact CD2-CH2 4.33Å; Y212-W393 AromaticContact CE1-CH2 3.99Å; Y212-W393 HydrophobicContact CE1-CH2 3.99Å; Y212-W393 HydrophobicContact CE1-CZ2 4.17Å; Y212-W393 HydrophobicContact CE2-CH2 4.43Å; Y212-W393 HydrophobicContact CG-CH2 4.06Å; Y212-W393 HydrophobicContact CG-CZ2 4.24Å; N389-W393 WeakPolarHBondContact O-CB 3.36Å; N389-W393 PolarHBondContact O-N 3.38Å; N389-W393 PolarHBondContact OD1-NE1 3.21Å; W393-L397 HydrophobicContact CE3-CD1 3.53Å; W393-L397 HydrophobicContact CZ3-CD1 4.06Å; W393-L397 WeakPolarHBondContact O-CB 3.46Å; W393-L397 WeakPolarHBondContact O-CD1 3.46Å; W393-L397 PolarHBondContact O-N 3.39Å
394I95.1Very high94.5Very high82 Ų8272.1 Ų72.142%0.42138%0.376SS..Hα-helixtrans-66.4-46.6175.5-68.5172.5000110.5L390 Y392 Y396 Y398L390-I394 HydrophobicContact CD2-CD1 3.66Å; L390-I394 HydrophobicContact CG-CD1 3.95Å; L390-I394 WeakPolarHBondContact O-CB 3.45Å; L390-I394 WeakPolarHBondContact O-CD1 3.38Å; L390-I394 WeakPolarHBondContact O-CG1 3.42Å; L390-I394 PolarHBondContact O-N 3.01Å; L390-I394 VanDerWaalsContact O-N 3.15Å; Y392-I394 PolarHBondContact O-N 3.32Å; I394-Y396 PolarHBondContact O-N 3.02Å; I394-Y398 PolarHBondContact O-N 3.22Å; I394-Y398 VanDerWaalsContact O-N 3.09Å
395A94.7Very high94.4Very high36 Ų3675.1 Ų75.130%0.29839%0.387SS..Hα-helixtrans-69.7-29.5-174.800000114.2V391 Y392 L399V391-A395 WeakPolarHBondContact O-CB 3.47Å; V391-A395 PolarHBondContact O-N 3.11Å; Y392-A395 PolarHBondContact O-N 3.43Å; A395-L399 VanDerWaalsContact O-OXT 3.05Å
396Y92.9Very high94.2Very high54 Ų5479.6 Ų79.621%0.21241%0.411CS..Hα-helixtrans-100.5-11.3-178.2-75.5-71.2000114.8N128 M131 A266 L269 Y392 I394N128-Y396 HydrophobicContact CB-CD1 4.47Å; M131-Y396 VanDerWaalsContact SD-CB 3.6Å; A266-Y396 HydrophobicContact CB-CD1 3.59Å; A266-Y396 HydrophobicContact CB-CD2 4.15Å; A266-Y396 HydrophobicContact CB-CE1 3.38Å; A266-Y396 HydrophobicContact CB-CE2 3.97Å; A266-Y396 HydrophobicContact CB-CG 3.98Å; L269-Y396 HydrophobicContact CD2-CE2 3.98Å; L269-Y396 WeakPolarHBondContact CD2-OH 3.34Å; Y392-Y396 AromaticContact CD2-CD2 3.68Å; Y392-Y396 HydrophobicContact CD2-CD2 3.68Å; Y392-Y396 AromaticContact CD2-CE2 3.69Å; Y392-Y396 HydrophobicContact CD2-CE2 3.69Å; Y392-Y396 HydrophobicContact CE1-CD2 4.42Å; Y392-Y396 AromaticContact CE2-CD2 3.54Å; Y392-Y396 HydrophobicContact CE2-CD2 3.54Å; Y392-Y396 AromaticContact CE2-CE2 3.5Å; Y392-Y396 HydrophobicContact CE2-CE2 3.5Å; Y392-Y396 VanDerWaalsContact CE2-CE2 3.5Å; Y392-Y396 HydrophobicContact CG-CD2 4.18Å; Y392-Y396 AromaticContact CZ-CD2 3.93Å; Y392-Y396 WeakPolarHBondContact O-CD2 3.5Å; Y392-Y396 PolarHBondContact O-N 3.46Å; I394-Y396 PolarHBondContact O-N 3.02Å
397L90.7Very high94Very high87 Ų8782.5 Ų82.546%0.45541%0.41SS..Hα-helixtrans-105.2-29.4175.5-81.372.9000113.6M131 W393M131-L397 HydrophobicContact CE-CD1 3.88Å; M131-L397 HydrophobicContact CG-CD1 4.29Å; M131-L397 HydrophobicContact SD-CD1 3.74Å; W393-L397 HydrophobicContact CE3-CD1 3.53Å; W393-L397 HydrophobicContact CZ3-CD1 4.06Å; W393-L397 WeakPolarHBondContact O-CB 3.46Å; W393-L397 WeakPolarHBondContact O-CD1 3.46Å; W393-L397 PolarHBondContact O-N 3.39Å
398Y90.1Very high93.8Very high190 Ų19079.3 Ų79.375%0.74539%0.391SS*.THydrogen-bonded Turntrans-120.3-14.6-171.1-62.3-80.7000114.5I394I394-Y398 PolarHBondContact O-N 3.22Å; I394-Y398 VanDerWaalsContact O-N 3.09Å
399L84.6Confident93.5Very high173 Ų17383.4 Ų83.491%0.90641%0.413SS*.  trans-111.20172.7-61.5176.7000108.9A395A395-L399 VanDerWaalsContact O-OXT 3.05Å

Retrieved 399 of 399 residues in 124.1 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).