A0A077ZC20_TRITR Loading...

Lariat debranching enzyme

Cleaves the 2'-5' phosphodiester linkage at the branch point of lariat intron pre-mRNAs after splicing and converts them into linear molecules that are subsequently degraded. It thereby facilitates ribonucleotide turnover.

AlphaFold DB , UniProt , Accession A0A077ZC20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M84.6Confident96.1Very high99 Ų9921.7 Ų21.749%0.48811%0.112SC..  0160.50-170.3177.9-161.400106.7T267 R274M1-T267 WeakPolarHBondContact CB-OG1 3.18Å; M1-T267 PolarHBondContact O-N 3.48Å; M1-T267 PolarHBondContact O-OG1 3.07Å; M1-R274 PolarHBondContact SD-NH2 2.94Å
2T91.5Very high96.1Very high73 Ų7323.1 Ų23.145%0.44812%0.117SC..EExtended strand (participates in β ladder)trans-119.8135.3179-51.40000108.6D264 L265T2-D264 HydrophobicContact CG2-CB 3.58Å; T2-L265 WeakPolarHBondContact CA-O 3.41Å
3L95.3Very high96.2Very high0 Ų021.4 Ų21.40%011%0.109CC..EExtended strand (participates in β ladder)trans-107.2137.1172.1-62.2-179.6000109.9V5 D34 F117 L120 L265 T267 R274L3-V5 HydrophobicContact CB-CG2 4.14Å; L3-V5 PolarHBondContact O-N 3.17Å; L3-D34 WeakPolarHBondContact CA-OD2 3.09Å; L3-D34 HydrophobicContact CB-CB 4.22Å; L3-D34 HydrophobicContact CD2-CB 4Å; L3-F117 HydrophobicContact CD1-CD1 3.99Å; L3-F117 HydrophobicContact CD1-CE1 4.09Å; L3-L120 HydrophobicContact CB-CD1 4.41Å; L3-L120 HydrophobicContact CD1-CD1 3.68Å; L3-L120 HydrophobicContact CD1-CG 3.79Å; L3-L265 PolarHBondContact N-O 3.04Å; L3-L265 PolarHBondContact O-N 3.33Å; L3-T267 HydrophobicContact CB-CG2 4.44Å; L3-T267 HydrophobicContact CD1-CG2 3.68Å; L3-T267 HydrophobicContact CD2-CG2 4.47Å; L3-T267 HydrophobicContact CG-CG2 3.53Å; L3-R274 VanDerWaalsContact CD2-NE 3.27Å
4K96.9Very high96.2Very high67 Ų6723.3 Ų23.329%0.29112%0.117SC..EExtended strand (participates in β ladder)trans-86.1107.5171.4-77.8-178.1-172.8-51.50108.9I31 D32 L33 D34 L35 D264K4-I31 HydrophobicContact CD-CG2 4.37Å; K4-D32 VanDerWaalsContact CB-O 3.28Å; K4-D32 WeakPolarHBondContact CB-O 3.5Å; K4-D32 WeakPolarHBondContact CD-O 3.17Å; K4-L33 HydrophobicContact CB-CD2 4.2Å; K4-L33 CarbonylContact O-C 3.51Å; K4-L33 WeakPolarHBondContact O-CA 3.38Å; K4-D34 PolarHBondContact N-OD2 3.02Å; K4-D34 PolarHBondContact O-N 3.01Å; K4-L35 PolarHBondContact O-N 3.15Å; K4-D264 WeakPolarHBondContact CG-OD1 3.34Å; K4-D264 VanDerWaalsContact NZ-CG 3.3Å; K4-D264 IonicContact NZ-OD1 2.74Å; K4-D264 PolarHBondContact NZ-OD1 3.49Å; K4-D264 IonicContact NZ-OD2 3.01Å; K4-D264 PolarHBondContact NZ-OD2 3.04Å
5V98.3Very high96.3Very high0 Ų021.8 Ų21.80%011%0.11CC..EExtended strand (participates in β ladder)trans-110.7124.7-177.2-1770000109.6L3 L35 I37 L120 L263 L265L3-V5 HydrophobicContact CB-CG2 4.14Å; L3-V5 PolarHBondContact O-N 3.17Å; V5-L35 WeakPolarHBondContact CA-O 3.49Å; V5-L35 HydrophobicContact CG1-CB 4.38Å; V5-L35 HydrophobicContact CG2-CB 4.24Å; V5-I37 HydrophobicContact CG1-CD1 3.81Å; V5-I37 HydrophobicContact CG1-CG1 3.99Å; V5-L120 HydrophobicContact CG2-CD1 4.05Å; V5-L263 PolarHBondContact N-O 3.35Å; V5-L263 PolarHBondContact O-N 2.92Å; V5-L265 HydrophobicContact CB-CD1 4Å; V5-L265 HydrophobicContact CB-CG 4.2Å; V5-L265 HydrophobicContact CG1-CD1 4.37Å; V5-L265 HydrophobicContact CG2-CB 4.43Å; V5-L265 HydrophobicContact CG2-CD1 3.75Å; V5-L265 HydrophobicContact CG2-CG 3.97Å
6G98.6Very high96.3Very high0 Ų024.9 Ų24.90%012%0.124CC..EExtended strand (participates in β ladder)trans-84.8128.6166.400000110.2L35 L36 I37G6-L35 PolarHBondContact N-O 3.27Å; G6-L36 CarbonylContact O-C 3.6Å; G6-L36 WeakPolarHBondContact O-CA 3.47Å; G6-I37 PolarHBondContact O-N 2.73Å
7V98.8Very high96.4Very high0 Ų027.4 Ų27.40%014%0.136CC..EExtended strand (participates in β ladder)trans-107.3132.1172.3-173.70000108.6I37 F225 L250 F260 Q261 L263V7-I37 WeakPolarHBondContact CA-O 3.45Å; V7-F225 HydrophobicContact CG1-CB 3.96Å; V7-F225 HydrophobicContact CG1-CD1 4.27Å; V7-F225 HydrophobicContact CG1-CD2 4.17Å; V7-F225 HydrophobicContact CG1-CG 3.88Å; V7-F225 HydrophobicContact CG2-CD1 4.27Å; V7-F225 HydrophobicContact CG2-CD2 3.81Å; V7-F225 HydrophobicContact CG2-CE1 4.15Å; V7-F225 HydrophobicContact CG2-CE2 3.67Å; V7-F225 HydrophobicContact CG2-CG 4.13Å; V7-F225 HydrophobicContact CG2-CZ 3.85Å; V7-L250 HydrophobicContact CB-CD1 4.08Å; V7-L250 HydrophobicContact CG1-CD1 3.93Å; V7-L250 WeakPolarHBondContact O-CD1 3.28Å; V7-F260 WeakPolarHBondContact O-CA 3.46Å; V7-Q261 PolarHBondContact N-O 3.16Å; V7-Q261 PolarHBondContact O-N 2.72Å; V7-L263 HydrophobicContact CG2-CD1 3.87Å
8V98.8Very high96.5Very high0 Ų025.9 Ų25.90%013%0.129CC..EExtended strand (participates in β ladder)trans-120.2136.7179.1-174.40000109.3I18 L36 I37 C38 C39 Y259 F260V8-I18 HydrophobicContact CG1-CD1 3.88Å; V8-I18 HydrophobicContact CG1-CG1 4.26Å; V8-I18 HydrophobicContact CG2-CG2 4.15Å; V8-L36 HydrophobicContact CG2-CD1 3.71Å; V8-L36 HydrophobicContact CG2-CD2 4.46Å; V8-L36 HydrophobicContact CG2-CG 4.15Å; V8-I37 PolarHBondContact N-O 2.83Å; V8-C38 HydrophobicContact CB-CB 4.34Å; V8-C39 PolarHBondContact O-N 2.84Å; V8-C39 PolarHBondContact O-SG 3.04Å; V8-C39 VanDerWaalsContact O-SG 3.34Å; V8-Y259 CarbonylContact C-O 3.52Å; V8-Y259 VanDerWaalsContact CA-O 3.29Å; V8-Y259 WeakPolarHBondContact CA-O 3.48Å; V8-Y259 HydrophobicContact CG1-CD2 4.35Å; V8-F260 HydrophobicContact CG2-CD2 3.68Å; V8-F260 HydrophobicContact CG2-CE2 3.81Å
9G98.6Very high96.6Very high0 Ų025 Ų250%012%0.124CC..SBendtrans-71-139.2169.100000112.2A11 D251 Y259G9-A11 PolarHBondContact O-N 2.89Å; G9-D251 WeakPolarHBondContact CA-O 3.29Å; G9-Y259 PolarHBondContact N-O 3.25Å
10C98.4Very high96.6Very high0 Ų028.1 Ų28.10%014%0.141CC..  trans-70.8121.2176.4-64.50000111G40 D41 A227 H228 H230 K252 C253C10-G40 WeakPolarHBondContact CA-O 3.36Å; C10-D41 HydrophobicContact CB-CB 3.87Å; C10-A227 VanDerWaalsContact SG-CB 3.6Å; C10-H228 PolarHBondContact SG-N 3.28Å; C10-H230 PolarHBondContact SG-NE2 3.08Å; C10-H230 VanDerWaalsContact SG-NE2 3.37Å; C10-K252 HydrophobicContact CB-CB 3.93Å; C10-K252 CarbonylContact O-C 3.54Å; C10-K252 WeakPolarHBondContact O-CA 3.41Å; C10-C253 PolarHBondContact O-N 3.23Å
11A97.7Very high96.6Very high0 Ų028 Ų280%014%0.142CC..  trans-78.4-33.7-175.600000113.5G9 G13 E14 I18 G40 D41 F42G9-A11 PolarHBondContact O-N 2.89Å; A11-G13 PolarHBondContact O-N 3.41Å; A11-E14 WeakPolarHBondContact O-CB 3.26Å; A11-E14 PolarHBondContact O-N 2.93Å; A11-I18 HydrophobicContact CB-CD1 3.65Å; A11-G40 PolarHBondContact N-O 2.82Å; A11-D41 PolarHBondContact N-O 3.21Å; A11-F42 HydrophobicContact CB-CD2 4.29Å
12H96.3Very high97.2Very high38 Ų3823.8 Ų23.818%0.17612%0.122CC..THydrogen-bonded Turntrans48.137.2-174.7-71.7-83.4000114.2E14 D41 Q43 N64 H230H12-E14 PolarHBondContact O-N 3.2Å; H12-D41 WeakPolarHBondContact CA-O 3.13Å; H12-D41 IonicContact CE1-OD2 2.9Å; H12-D41 PolarHBondContact N-O 3.18Å; H12-D41 IonicContact NE2-OD2 3.82Å; H12-Q43 PolarHBondContact O-OE1 3.43Å; H12-N64 PolarHBondContact O-ND2 2.85Å; H12-H230 AromaticContact NE2-CE1 3.8Å; H12-H230 AromaticContact NE2-NE2 3.41Å; H12-H230 PolarHBondContact NE2-NE2 3.31Å
13G96.4Very high97.5Very high1 Ų122.4 Ų22.41%0.0112%0.115CC..THydrogen-bonded Turntrans71.35179.600000115.4A11 L15 F42 N64 T65A11-G13 PolarHBondContact O-N 3.41Å; G13-L15 PolarHBondContact O-N 3.36Å; G13-F42 WeakPolarHBondContact CA-O 3.2Å; G13-F42 PolarHBondContact N-O 2.98Å; G13-N64 WeakPolarHBondContact O-CB 3.43Å; G13-T65 PolarHBondContact O-OG1 3.46Å; G13-T65 VanDerWaalsContact O-OG1 3.1Å
14E97Very high97.6Very high48 Ų4827.4 Ų27.422%0.22414%0.137CC..  trans-79.847.8-179.6-61.5-67.6172.800112A11 H12 E16 I17 I18 C253A11-E14 WeakPolarHBondContact O-CB 3.26Å; A11-E14 PolarHBondContact O-N 2.93Å; H12-E14 PolarHBondContact O-N 3.2Å; E14-E16 PolarHBondContact O-N 3.42Å; E14-I17 HydrophobicContact CB-CB 4.32Å; E14-I17 HydrophobicContact CB-CD1 4.13Å; E14-I17 HydrophobicContact CB-CG1 4.38Å; E14-I17 HydrophobicContact CG-CD1 4.33Å; E14-I17 PolarHBondContact O-N 3.1Å; E14-I17 WeakPolarHBondContact OE2-CD1 3.3Å; E14-I18 WeakPolarHBondContact O-CG1 3.45Å; E14-I18 PolarHBondContact O-N 3.43Å; E14-I18 VanDerWaalsContact O-N 3.14Å; E14-C253 HydrophobicContact CB-CB 4.06Å; E14-C253 HydrophobicContact CG-CB 4.48Å
15L97.6Very high97.6Very high1 Ų125.4 Ų25.41%0.00513%0.129CC..Hα-helixtrans-66-36.4-173.7-64.4-175.2000113G13 I17 I18 Y19 F42 F66 Y69 I106G13-L15 PolarHBondContact O-N 3.36Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.96Å; L15-I18 HydrophobicContact CD2-CD1 4.21Å; L15-I18 PolarHBondContact O-N 3.36Å; L15-Y19 HydrophobicContact CB-CD2 4.21Å; L15-Y19 HydrophobicContact CB-CE2 4.09Å; L15-Y19 WeakPolarHBondContact O-CD2 3.39Å; L15-Y19 PolarHBondContact O-N 3.01Å; L15-F42 HydrophobicContact CD1-CE1 3.91Å; L15-F42 HydrophobicContact CD1-CZ 3.74Å; L15-F42 HydrophobicContact CD2-CD2 4.32Å; L15-F42 HydrophobicContact CD2-CE1 4.17Å; L15-F42 HydrophobicContact CD2-CE2 3.56Å; L15-F42 HydrophobicContact CD2-CZ 3.47Å; L15-F42 VanDerWaalsContact CD2-CZ 3.47Å; L15-F42 HydrophobicContact CG-CZ 4.25Å; L15-F66 HydrophobicContact CD1-CB 4.16Å; L15-F66 HydrophobicContact CD1-CD2 3.71Å; L15-F66 HydrophobicContact CD1-CG 4.44Å; L15-Y69 HydrophobicContact CB-CD2 4.34Å; L15-Y69 HydrophobicContact CB-CE2 3.68Å; L15-Y69 HydrophobicContact CD1-CD2 3.94Å; L15-Y69 HydrophobicContact CD1-CE2 4.14Å; L15-I106 HydrophobicContact CD1-CD1 4.45Å
16E96.7Very high97.6Very high72 Ų7229.3 Ų29.334%0.33615%0.146SC..Hα-helixtrans-59.4-43.4174.1-74-177.4172.800111.5E14 I18 Y19 D20 T65 K68E14-E16 PolarHBondContact O-N 3.42Å; E16-I18 VanDerWaalsContact C-N 3.32Å; E16-I18 PolarHBondContact O-N 3Å; E16-Y19 PolarHBondContact O-N 2.84Å; E16-D20 WeakPolarHBondContact O-CB 3.17Å; E16-D20 PolarHBondContact O-N 3.06Å; E16-T65 HydrophobicContact CB-CG2 4.42Å; E16-T65 VanDerWaalsContact CD-CG2 3.49Å; E16-T65 HydrophobicContact CG-CG2 3.8Å; E16-K68 WeakPolarHBondContact OE1-CD 3.34Å; E16-K68 IonicContact OE1-NZ 2.75Å; E16-K68 PolarHBondContact OE1-NZ 2.87Å
17I96.8Very high97.5Very high66 Ų6637 Ų3734%0.33818%0.182SC..Hα-helixtrans-62.3-42.3176.7-60.6-177.1000110.8E14 L15 T21E14-I17 HydrophobicContact CB-CB 4.32Å; E14-I17 HydrophobicContact CB-CD1 4.13Å; E14-I17 HydrophobicContact CB-CG1 4.38Å; E14-I17 HydrophobicContact CG-CD1 4.33Å; E14-I17 PolarHBondContact O-N 3.1Å; E14-I17 WeakPolarHBondContact OE2-CD1 3.3Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.96Å; I17-T21 WeakPolarHBondContact O-CB 3.49Å; I17-T21 PolarHBondContact O-N 3.19Å; I17-T21 PolarHBondContact O-OG1 3.08Å
18I98.1Very high97.5Very high1 Ų143.8 Ų43.81%0.00521%0.212CC..Hα-helixtrans-64.2-51.9179.3-68.7163000110.4V8 A11 E14 L15 E16 D20 T21 V22 L36 Y259 F260V8-I18 HydrophobicContact CG1-CD1 3.88Å; V8-I18 HydrophobicContact CG1-CG1 4.26Å; V8-I18 HydrophobicContact CG2-CG2 4.15Å; A11-I18 HydrophobicContact CB-CD1 3.65Å; E14-I18 WeakPolarHBondContact O-CG1 3.45Å; E14-I18 PolarHBondContact O-N 3.43Å; E14-I18 VanDerWaalsContact O-N 3.14Å; L15-I18 HydrophobicContact CD2-CD1 4.21Å; L15-I18 PolarHBondContact O-N 3.36Å; E16-I18 VanDerWaalsContact C-N 3.32Å; E16-I18 PolarHBondContact O-N 3Å; I18-D20 PolarHBondContact O-N 2.74Å; I18-T21 WeakPolarHBondContact O-CA 3.28Å; I18-T21 VanDerWaalsContact O-CB 3.23Å; I18-T21 WeakPolarHBondContact O-CB 3.45Å; I18-T21 PolarHBondContact O-N 3.41Å; I18-T21 VanDerWaalsContact O-N 3.08Å; I18-V22 WeakPolarHBondContact O-CG2 3.4Å; I18-V22 PolarHBondContact O-N 2.86Å; I18-L36 HydrophobicContact CG2-CD2 3.61Å; I18-Y259 HydrophobicContact CG1-CE2 4.31Å; I18-F260 HydrophobicContact CG2-CE2 4.34Å
19Y98.2Very high97.4Very high9 Ų947.8 Ų47.84%0.03523%0.228CC..Hα-helixtrans-69.6-31.8-179.8-68.1-60000112.8L15 E16 T21 V22 S23 L36 Y69 A76 S77 V78 T80L15-Y19 HydrophobicContact CB-CD2 4.21Å; L15-Y19 HydrophobicContact CB-CE2 4.09Å; L15-Y19 WeakPolarHBondContact O-CD2 3.39Å; L15-Y19 PolarHBondContact O-N 3.01Å; E16-Y19 PolarHBondContact O-N 2.84Å; Y19-T21 VanDerWaalsContact C-N 3.25Å; Y19-T21 PolarHBondContact O-N 3.01Å; Y19-V22 WeakPolarHBondContact O-CB 3.38Å; Y19-V22 PolarHBondContact O-N 2.72Å; Y19-S23 PolarHBondContact O-N 3.08Å; Y19-S23 PolarHBondContact O-OG 2.99Å; Y19-S23 VanDerWaalsContact O-OG 3.1Å; Y19-L36 HydrophobicContact CE1-CD2 4.17Å; Y19-Y69 AromaticContact CD2-CE1 3.63Å; Y19-Y69 HydrophobicContact CD2-CE1 3.63Å; Y19-Y69 AromaticContact CD2-CZ 3.57Å; Y19-Y69 VanDerWaalsContact CD2-OH 3.29Å; Y19-Y69 WeakPolarHBondContact CD2-OH 3.35Å; Y19-Y69 HydrophobicContact CE2-CD1 4.18Å; Y19-Y69 AromaticContact CE2-CE1 3.57Å; Y19-Y69 HydrophobicContact CE2-CE1 3.57Å; Y19-Y69 HydrophobicContact CE2-CE2 4.49Å; Y19-Y69 AromaticContact CE2-CZ 3.77Å; Y19-A76 HydrophobicContact CE1-CB 3.82Å; Y19-A76 HydrophobicContact CE2-CB 4.09Å; Y19-A76 VanDerWaalsContact CZ-CB 3.42Å; Y19-A76 WeakPolarHBondContact OH-CB 3.29Å; Y19-S77 WeakPolarHBondContact CD1-OG 3.35Å; Y19-V78 HydrophobicContact CD1-CG1 4.42Å; Y19-V78 HydrophobicContact CE1-CG1 4.1Å; Y19-T80 PolarHBondContact OH-OG1 3.35Å
20D97.1Very high97.3Very high86 Ų8653.8 Ų53.846%0.4626%0.26SS..Hα-helixtrans-61.7-35.9169.1-83.4-0.6000111.7E16 I18 K24E16-D20 WeakPolarHBondContact O-CB 3.17Å; E16-D20 PolarHBondContact O-N 3.06Å; I18-D20 PolarHBondContact O-N 2.74Å; D20-K24 WeakPolarHBondContact O-CB 3.23Å; D20-K24 WeakPolarHBondContact O-CD 3.45Å; D20-K24 VanDerWaalsContact O-CG 3.26Å; D20-K24 WeakPolarHBondContact O-CG 3.49Å; D20-K24 PolarHBondContact O-N 3.44Å
21T96.9Very high97.2Very high28 Ų2855.9 Ų55.917%0.17227%0.27CS..Hα-helixtrans-64.7-44.5174.2-55.80000110.3I17 I18 Y19 K24 L25 Y259 F260I17-T21 WeakPolarHBondContact O-CB 3.49Å; I17-T21 PolarHBondContact O-N 3.19Å; I17-T21 PolarHBondContact O-OG1 3.08Å; I18-T21 WeakPolarHBondContact O-CA 3.28Å; I18-T21 VanDerWaalsContact O-CB 3.23Å; I18-T21 WeakPolarHBondContact O-CB 3.45Å; I18-T21 PolarHBondContact O-N 3.41Å; I18-T21 VanDerWaalsContact O-N 3.08Å; Y19-T21 VanDerWaalsContact C-N 3.25Å; Y19-T21 PolarHBondContact O-N 3.01Å; T21-K24 PolarHBondContact O-N 2.85Å; T21-L25 HydrophobicContact CG2-CD1 4.36Å; T21-L25 VanDerWaalsContact O-CG 3.3Å; T21-L25 WeakPolarHBondContact O-CG 3.47Å; T21-L25 PolarHBondContact O-N 3.14Å; T21-Y259 PolarHBondContact OG1-OH 2.92Å; T21-F260 HydrophobicContact CG2-CD1 4.35Å; T21-F260 HydrophobicContact CG2-CD2 4.17Å; T21-F260 HydrophobicContact CG2-CE2 4.42Å; T21-F260 HydrophobicContact CG2-CG 4.15Å
22V97.8Very high97.1Very high10 Ų1060.2 Ų60.26%0.06129%0.293CS..Hα-helixtrans-59.7-47.8175178.50000111.2I18 Y19 K24 L25 K26 L33 L36 V78 F260I18-V22 WeakPolarHBondContact O-CG2 3.4Å; I18-V22 PolarHBondContact O-N 2.86Å; Y19-V22 WeakPolarHBondContact O-CB 3.38Å; Y19-V22 PolarHBondContact O-N 2.72Å; V22-K24 PolarHBondContact O-N 3.48Å; V22-L25 WeakPolarHBondContact O-CB 3.29Å; V22-L25 PolarHBondContact O-N 3.42Å; V22-K26 PolarHBondContact O-N 2.8Å; V22-K26 VanDerWaalsContact O-N 3.08Å; V22-L33 HydrophobicContact CB-CD1 4.47Å; V22-L33 HydrophobicContact CG1-CD1 4.04Å; V22-L33 HydrophobicContact CG1-CG 4.44Å; V22-L33 HydrophobicContact CG2-CD1 3.85Å; V22-L36 HydrophobicContact CG2-CD1 4.46Å; V22-V78 HydrophobicContact CG1-CG1 4.23Å; V22-V78 HydrophobicContact CG2-CG1 4.34Å; V22-F260 HydrophobicContact CG2-CE2 4.15Å; V22-F260 HydrophobicContact CG2-CZ 4.11Å
23S97.6Very high97.2Very high44 Ų4459 Ų5931%0.30829%0.288SS..Hα-helixtrans-59.7-45177.7-59.80000111.8Y19 L25 K26 E27Y19-S23 PolarHBondContact O-N 3.08Å; Y19-S23 PolarHBondContact O-OG 2.99Å; Y19-S23 VanDerWaalsContact O-OG 3.1Å; S23-L25 VanDerWaalsContact C-N 3.34Å; S23-L25 PolarHBondContact O-N 3.21Å; S23-K26 PolarHBondContact O-N 3.44Å; S23-E27 WeakPolarHBondContact O-CG 3.41Å; S23-E27 PolarHBondContact O-N 3.25Å
24K97.5Very high97.2Very high104 Ų10461.1 Ų61.145%0.45230%0.299SS..Hα-helixtrans-64-36.7176.6-74.9165.6-175.6155.60112.8D20 T21 V22 K26 K28D20-K24 WeakPolarHBondContact O-CB 3.23Å; D20-K24 WeakPolarHBondContact O-CD 3.45Å; D20-K24 VanDerWaalsContact O-CG 3.26Å; D20-K24 WeakPolarHBondContact O-CG 3.49Å; D20-K24 PolarHBondContact O-N 3.44Å; T21-K24 PolarHBondContact O-N 2.85Å; V22-K24 PolarHBondContact O-N 3.48Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K28 WeakPolarHBondContact O-CB 3.34Å; K24-K28 PolarHBondContact O-N 3.24Å
25L97.5Very high97.2Very high26 Ų2658.9 Ų58.914%0.13629%0.289CS..Hα-helixtrans-60.9-43.7174.6-76.2169.1000111.1T21 V22 S23 Y29 N30 I31 F260 V262T21-L25 HydrophobicContact CG2-CD1 4.36Å; T21-L25 VanDerWaalsContact O-CG 3.3Å; T21-L25 WeakPolarHBondContact O-CG 3.47Å; T21-L25 PolarHBondContact O-N 3.14Å; V22-L25 WeakPolarHBondContact O-CB 3.29Å; V22-L25 PolarHBondContact O-N 3.42Å; S23-L25 VanDerWaalsContact C-N 3.34Å; S23-L25 PolarHBondContact O-N 3.21Å; L25-Y29 HydrophobicContact CD2-CD2 4.11Å; L25-Y29 CarbonylContact O-C 3.57Å; L25-Y29 WeakPolarHBondContact O-CA 3.42Å; L25-Y29 WeakPolarHBondContact O-CB 3.4Å; L25-Y29 PolarHBondContact O-N 2.8Å; L25-Y29 VanDerWaalsContact O-N 3.07Å; L25-N30 PolarHBondContact O-N 3.44Å; L25-I31 CarbonylContact C-O 3.54Å; L25-I31 HydrophobicContact CB-CB 4.23Å; L25-I31 HydrophobicContact CB-CG2 4.44Å; L25-I31 HydrophobicContact CD2-CD1 4.28Å; L25-I31 PolarHBondContact O-N 3.11Å; L25-I31 VanDerWaalsContact O-N 3.15Å; L25-F260 HydrophobicContact CD1-CD1 4.36Å; L25-F260 HydrophobicContact CD1-CE1 3.6Å; L25-F260 HydrophobicContact CD1-CZ 4.03Å; L25-V262 HydrophobicContact CD1-CG2 3.7Å; L25-V262 HydrophobicContact CD2-CG2 4.38Å
26K97.2Very high97.3Very high81 Ų8158.8 Ų58.835%0.35229%0.289SS..Hα-helixtrans-66.5-51.4176.7-177.665.2-179.6-173.20112.2V22 S23 K24 N30 I31 D32V22-K26 PolarHBondContact O-N 2.8Å; V22-K26 VanDerWaalsContact O-N 3.08Å; S23-K26 PolarHBondContact O-N 3.44Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K26-N30 WeakPolarHBondContact O-CA 3.42Å; K26-N30 PolarHBondContact O-N 2.66Å; K26-I31 VanDerWaalsContact CA-O 3.29Å; K26-I31 WeakPolarHBondContact CA-O 3.12Å; K26-I31 PolarHBondContact N-O 3.49Å; K26-D32 HydrophobicContact CD-CB 3.89Å; K26-D32 WeakPolarHBondContact CE-OD2 3.33Å; K26-D32 VanDerWaalsContact NZ-CG 3.31Å; K26-D32 IonicContact NZ-OD2 2.73Å; K26-D32 PolarHBondContact NZ-OD2 2.9Å
27E97.5Very high97.4Very high162 Ų16255.4 Ų55.476%0.75727%0.273SS*.Hα-helixtrans-67.1-42.3-175.2-71.4172.7-174.600113S23S23-E27 WeakPolarHBondContact O-CG 3.41Å; S23-E27 PolarHBondContact O-N 3.25Å
28K97.1Very high97.5Very high142 Ų14252.3 Ų52.362%0.61726%0.257SS*.Hα-helixtrans-92.1-34.2-171.4-170.6174.8176.2-170.10113.5K24K24-K28 WeakPolarHBondContact O-CB 3.34Å; K24-K28 PolarHBondContact O-N 3.24Å
29Y96.5Very high97.5Very high85 Ų8552.2 Ų52.233%0.33326%0.256SS..Hα-helixtrans-120.51.4-172.8-53.3-68.7000113.1L25 I31L25-Y29 HydrophobicContact CD2-CD2 4.11Å; L25-Y29 CarbonylContact O-C 3.57Å; L25-Y29 WeakPolarHBondContact O-CA 3.42Å; L25-Y29 WeakPolarHBondContact O-CB 3.4Å; L25-Y29 PolarHBondContact O-N 2.8Å; L25-Y29 VanDerWaalsContact O-N 3.07Å; Y29-I31 PolarHBondContact O-N 3.24Å
30N96.5Very high97.5Very high126 Ų12651.8 Ų51.867%0.67426%0.255SS*.  trans53.331.4-174.5-166.938.3000113L25 K26 D32L25-N30 PolarHBondContact O-N 3.44Å; K26-N30 WeakPolarHBondContact O-CA 3.42Å; K26-N30 PolarHBondContact O-N 2.66Å; N30-D32 PolarHBondContact O-N 3.5Å
31I97.1Very high97.6Very high43 Ų4347.8 Ų47.822%0.22123%0.233CC..  trans-90.5105.1174.6-66.3172.9000107K4 L25 K26 Y29 L33 V262K4-I31 HydrophobicContact CD-CG2 4.37Å; L25-I31 CarbonylContact C-O 3.54Å; L25-I31 HydrophobicContact CB-CB 4.23Å; L25-I31 HydrophobicContact CB-CG2 4.44Å; L25-I31 HydrophobicContact CD2-CD1 4.28Å; L25-I31 PolarHBondContact O-N 3.11Å; L25-I31 VanDerWaalsContact O-N 3.15Å; K26-I31 VanDerWaalsContact CA-O 3.29Å; K26-I31 WeakPolarHBondContact CA-O 3.12Å; K26-I31 PolarHBondContact N-O 3.49Å; Y29-I31 PolarHBondContact O-N 3.24Å; I31-L33 HydrophobicContact CG2-CD2 3.91Å; I31-V262 HydrophobicContact CG2-CG1 4.07Å; I31-V262 HydrophobicContact CG2-CG2 4.38Å
32D96Very high97.6Very high91 Ų9146.4 Ų46.449%0.48723%0.225SC..  trans-93.4129.8170.8-146.5-13000109.2K4 K26 N30K4-D32 VanDerWaalsContact CB-O 3.28Å; K4-D32 WeakPolarHBondContact CB-O 3.5Å; K4-D32 WeakPolarHBondContact CD-O 3.17Å; K26-D32 HydrophobicContact CD-CB 3.89Å; K26-D32 WeakPolarHBondContact CE-OD2 3.33Å; K26-D32 VanDerWaalsContact NZ-CG 3.31Å; K26-D32 IonicContact NZ-OD2 2.73Å; K26-D32 PolarHBondContact NZ-OD2 2.9Å; N30-D32 PolarHBondContact O-N 3.5Å
33L97.5Very high97.6Very high12 Ų1246.6 Ų46.66%0.06323%0.225CC..  trans-94.2131.6-179.6-60.3-176.7000109.7K4 V22 I31 L36 V78 F260 V262K4-L33 HydrophobicContact CB-CD2 4.2Å; K4-L33 CarbonylContact O-C 3.51Å; K4-L33 WeakPolarHBondContact O-CA 3.38Å; V22-L33 HydrophobicContact CB-CD1 4.47Å; V22-L33 HydrophobicContact CG1-CD1 4.04Å; V22-L33 HydrophobicContact CG1-CG 4.44Å; V22-L33 HydrophobicContact CG2-CD1 3.85Å; I31-L33 HydrophobicContact CG2-CD2 3.91Å; L33-L36 HydrophobicContact CD1-CD1 4.38Å; L33-V78 HydrophobicContact CB-CG2 4.04Å; L33-V78 WeakPolarHBondContact O-CG2 3.32Å; L33-F260 HydrophobicContact CD1-CE1 4.46Å; L33-F260 HydrophobicContact CD1-CZ 3.84Å; L33-V262 HydrophobicContact CD2-CG1 3.9Å; L33-V262 HydrophobicContact CD2-CG2 4.13Å
34D96.8Very high97.6Very high47 Ų4744.5 Ų44.525%0.25121%0.21SC..SBendtrans-76.3-35.2170.4-64.3-89.3000111L3 K4 F117 R274L3-D34 WeakPolarHBondContact CA-OD2 3.09Å; L3-D34 HydrophobicContact CB-CB 4.22Å; L3-D34 HydrophobicContact CD2-CB 4Å; K4-D34 PolarHBondContact N-OD2 3.02Å; K4-D34 PolarHBondContact O-N 3.01Å; D34-F117 HydrophobicContact CB-CE1 4.03Å; D34-F117 HydrophobicContact CB-CZ 4.43Å; D34-F117 WeakPolarHBondContact O-CZ 3.48Å; D34-R274 IonicContact OD1-CZ 2.71Å; D34-R274 IonicContact OD1-NE 3.79Å; D34-R274 PolarHBondContact OD1-NE 3.24Å; D34-R274 IonicContact OD1-NH2 3.45Å
35L98.2Very high97.6Very high0 Ų039.6 Ų39.60%019%0.189CC..EExtended strand (participates in β ladder)trans-148.7147.3-173.5-172.864.5000111.2K4 V5 G6 I37 L79 L81 F117 I122K4-L35 PolarHBondContact O-N 3.15Å; V5-L35 WeakPolarHBondContact CA-O 3.49Å; V5-L35 HydrophobicContact CG1-CB 4.38Å; V5-L35 HydrophobicContact CG2-CB 4.24Å; G6-L35 PolarHBondContact N-O 3.27Å; L35-I37 HydrophobicContact CD2-CD1 3.99Å; L35-I37 HydrophobicContact CD2-CG1 3.93Å; L35-I37 HydrophobicContact CG-CG1 4.14Å; L35-L79 HydrophobicContact CD1-CB 4.19Å; L35-L79 HydrophobicContact CD1-CD2 3.84Å; L35-L79 HydrophobicContact CD1-CG 3.83Å; L35-L79 WeakPolarHBondContact CD1-O 3.37Å; L35-L81 HydrophobicContact CD1-CD1 4.13Å; L35-L81 HydrophobicContact CD1-CG 3.84Å; L35-L81 HydrophobicContact CD2-CD1 4.19Å; L35-F117 HydrophobicContact CB-CD1 4.06Å; L35-F117 HydrophobicContact CB-CE1 3.76Å; L35-F117 HydrophobicContact CB-CZ 4.42Å; L35-F117 HydrophobicContact CD1-CD1 4.21Å; L35-F117 HydrophobicContact CD1-CE1 4.32Å; L35-F117 HydrophobicContact CD1-CG 4.32Å; L35-F117 HydrophobicContact CD2-CD1 3.89Å; L35-F117 HydrophobicContact CD2-CE1 4.46Å; L35-F117 HydrophobicContact CD2-CG 4.37Å; L35-F117 HydrophobicContact CG-CD1 4.28Å; L35-F117 HydrophobicContact CG-CE1 4.4Å; L35-I122 HydrophobicContact CD2-CD1 3.63Å
36L98.7Very high97.5Very high0 Ų038.6 Ų38.60%018%0.184CC..EExtended strand (participates in β ladder)trans-118134168-169.771.6000109.9G6 V8 I18 Y19 V22 L33 V78 L79 T80 L81 F260G6-L36 CarbonylContact O-C 3.6Å; G6-L36 WeakPolarHBondContact O-CA 3.47Å; V8-L36 HydrophobicContact CG2-CD1 3.71Å; V8-L36 HydrophobicContact CG2-CD2 4.46Å; V8-L36 HydrophobicContact CG2-CG 4.15Å; I18-L36 HydrophobicContact CG2-CD2 3.61Å; Y19-L36 HydrophobicContact CE1-CD2 4.17Å; V22-L36 HydrophobicContact CG2-CD1 4.46Å; L33-L36 HydrophobicContact CD1-CD1 4.38Å; L36-V78 HydrophobicContact CB-CG1 3.72Å; L36-V78 HydrophobicContact CB-CG2 4.46Å; L36-V78 HydrophobicContact CD2-CG1 4.17Å; L36-V78 HydrophobicContact CG-CG1 4.48Å; L36-L79 PolarHBondContact N-O 2.85Å; L36-T80 HydrophobicContact CB-CG2 4.41Å; L36-T80 HydrophobicContact CD2-CG2 4.07Å; L36-T80 HydrophobicContact CG-CG2 4.41Å; L36-T80 CarbonylContact O-C 3.59Å; L36-T80 WeakPolarHBondContact O-CA 3.48Å; L36-L81 PolarHBondContact O-N 2.82Å; L36-F260 HydrophobicContact CD1-CE2 3.58Å; L36-F260 HydrophobicContact CD1-CZ 3.74Å
37I98.9Very high97.3Very high1 Ų135.9 Ų35.91%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-122.2116179.1-61.1179.7000109.1V5 G6 V7 V8 L35 L81 V172 V174 F225V5-I37 HydrophobicContact CG1-CD1 3.81Å; V5-I37 HydrophobicContact CG1-CG1 3.99Å; G6-I37 PolarHBondContact O-N 2.73Å; V7-I37 WeakPolarHBondContact CA-O 3.45Å; V8-I37 PolarHBondContact N-O 2.83Å; L35-I37 HydrophobicContact CD2-CD1 3.99Å; L35-I37 HydrophobicContact CD2-CG1 3.93Å; L35-I37 HydrophobicContact CG-CG1 4.14Å; I37-L81 CarbonylContact C-O 3.56Å; I37-L81 WeakPolarHBondContact CA-O 3.36Å; I37-V172 HydrophobicContact CD1-CG1 4.28Å; I37-V174 HydrophobicContact CD1-CG2 4.47Å; I37-V174 HydrophobicContact CG2-CB 4.35Å; I37-V174 HydrophobicContact CG2-CG1 3.8Å; I37-V174 HydrophobicContact CG2-CG2 3.57Å; I37-F225 HydrophobicContact CD1-CD2 4.35Å; I37-F225 HydrophobicContact CD1-CE2 4.36Å
38C98.8Very high97.1Very high0 Ų034.4 Ų34.40%017%0.166CC..EExtended strand (participates in β ladder)trans-100.6126.1173.4-58.90000110.9V8 G40 F42 L81 F82 V83V8-C38 HydrophobicContact CB-CB 4.34Å; C38-G40 PolarHBondContact O-N 3.29Å; C38-G40 VanDerWaalsContact O-N 3.13Å; C38-F42 HydrophobicContact CB-CD2 3.87Å; C38-F42 HydrophobicContact CB-CE2 4.31Å; C38-L81 PolarHBondContact N-O 3.48Å; C38-F82 HydrophobicContact CB-CB 3.76Å; C38-F82 VanDerWaalsContact O-CA 3.26Å; C38-F82 WeakPolarHBondContact O-CA 3.41Å; C38-F82 WeakPolarHBondContact O-CB 3.29Å; C38-V83 PolarHBondContact O-N 3.45Å
39C98.8Very high96.8Very high0 Ų032 Ų320%016%0.157CC..  trans-87.632.1-173.7-540000113.1V8 V174 H176 A227V8-C39 PolarHBondContact O-N 2.84Å; V8-C39 PolarHBondContact O-SG 3.04Å; V8-C39 VanDerWaalsContact O-SG 3.34Å; C39-V174 HydrophobicContact CB-CG1 4.33Å; C39-H176 VanDerWaalsContact O-CA 3.31Å; C39-H176 WeakPolarHBondContact O-CA 3.3Å; C39-H176 PolarHBondContact O-ND1 2.9Å; C39-A227 HydrophobicContact CB-CB 3.72Å; C39-A227 WeakPolarHBondContact O-CB 3.16Å
40G97.9Very high96.8Very high0 Ų028 Ų280%014%0.141CC..SBendtrans101.8-175.4175.600000116.4C10 A11 C38 F42 V83 H176C10-G40 WeakPolarHBondContact CA-O 3.36Å; A11-G40 PolarHBondContact N-O 2.82Å; C38-G40 PolarHBondContact O-N 3.29Å; C38-G40 VanDerWaalsContact O-N 3.13Å; G40-F42 PolarHBondContact O-N 3.27Å; G40-V83 WeakPolarHBondContact CA-O 3.29Å; G40-V83 PolarHBondContact N-O 2.98Å; G40-H176 WeakPolarHBondContact CA-ND1 3.44Å
41D98.1Very high96.7Very high1 Ų123.1 Ų23.11%0.00512%0.115CC..  trans40.348.7-160.5-80.5-1.8000110.9C10 A11 H12 G85 N86 H87 E88 H176C10-D41 HydrophobicContact CB-CB 3.87Å; A11-D41 PolarHBondContact N-O 3.21Å; H12-D41 WeakPolarHBondContact CA-O 3.13Å; H12-D41 IonicContact CE1-OD2 2.9Å; H12-D41 PolarHBondContact N-O 3.18Å; H12-D41 IonicContact NE2-OD2 3.82Å; D41-G85 WeakPolarHBondContact OD1-CA 3.23Å; D41-N86 PolarHBondContact OD1-N 3.37Å; D41-H87 IonicContact OD1-CG 3.92Å; D41-H87 PolarHBondContact OD1-N 3.04Å; D41-H87 IonicContact OD1-ND1 3.69Å; D41-H87 IonicContact OD2-CE1 2.83Å; D41-H87 IonicContact OD2-CG 2.84Å; D41-H87 IonicContact OD2-ND1 4Å; D41-H87 PolarHBondContact OD2-ND1 3.46Å; D41-E88 WeakPolarHBondContact CA-OE1 3.25Å; D41-E88 PolarHBondContact N-OE1 3.21Å; D41-H176 IonicContact OD1-CE1 3.66Å; D41-H176 IonicContact OD1-NE2 2.77Å; D41-H176 IonicContact OD2-CE1 3.74Å
42F98.5Very high96.5Very high0 Ų025 Ų250%013%0.128CC..  trans-68.2-39-175-171.9-96.1000111.3A11 G13 L15 C38 G40 F66 T80 F82 E88 I106A11-F42 HydrophobicContact CB-CD2 4.29Å; G13-F42 WeakPolarHBondContact CA-O 3.2Å; G13-F42 PolarHBondContact N-O 2.98Å; L15-F42 HydrophobicContact CD1-CE1 3.91Å; L15-F42 HydrophobicContact CD1-CZ 3.74Å; L15-F42 HydrophobicContact CD2-CD2 4.32Å; L15-F42 HydrophobicContact CD2-CE1 4.17Å; L15-F42 HydrophobicContact CD2-CE2 3.56Å; L15-F42 HydrophobicContact CD2-CZ 3.47Å; L15-F42 VanDerWaalsContact CD2-CZ 3.47Å; L15-F42 HydrophobicContact CG-CZ 4.25Å; C38-F42 HydrophobicContact CB-CD2 3.87Å; C38-F42 HydrophobicContact CB-CE2 4.31Å; G40-F42 PolarHBondContact O-N 3.27Å; F42-F66 AromaticContact CE1-CD2 3.78Å; F42-F66 HydrophobicContact CE1-CD2 3.78Å; F42-F66 AromaticContact CE1-CE2 3.9Å; F42-F66 HydrophobicContact CE1-CE2 3.9Å; F42-T80 HydrophobicContact CE2-CG2 4.12Å; F42-F82 HydrophobicContact CB-CB 4.49Å; F42-F82 HydrophobicContact CB-CD2 3.35Å; F42-F82 HydrophobicContact CB-CE2 3.65Å; F42-F82 HydrophobicContact CB-CG 4.01Å; F42-F82 HydrophobicContact CB-CZ 4.49Å; F42-F82 HydrophobicContact CD1-CD1 4.33Å; F42-F82 HydrophobicContact CD1-CD2 4.11Å; F42-F82 HydrophobicContact CD1-CE1 4.15Å; F42-F82 AromaticContact CD1-CE2 3.92Å; F42-F82 HydrophobicContact CD1-CE2 3.92Å; F42-F82 HydrophobicContact CD1-CG 4.31Å; F42-F82 AromaticContact CD1-CZ 3.92Å; F42-F82 HydrophobicContact CD1-CZ 3.92Å; F42-F82 HydrophobicContact CD2-CB 3.83Å; F42-F82 HydrophobicContact CD2-CD1 4.15Å; F42-F82 HydrophobicContact CD2-CD2 4.01Å; F42-F82 AromaticContact CD2-CG 3.74Å; F42-F82 HydrophobicContact CD2-CG 3.74Å; F42-F82 HydrophobicContact CE1-CD1 4.43Å; F42-F82 HydrophobicContact CE1-CE1 4.23Å; F42-F82 HydrophobicContact CE1-CZ 4.38Å; F42-F82 HydrophobicContact CE2-CB 4.36Å; F42-F82 HydrophobicContact CE2-CD1 4.24Å; F42-F82 HydrophobicContact CE2-CG 4.26Å; F42-F82 HydrophobicContact CG-CB 4.29Å; F42-F82 HydrophobicContact CG-CD1 4.18Å; F42-F82 AromaticContact CG-CD2 3.57Å; F42-F82 HydrophobicContact CG-CD2 3.57Å; F42-F82 HydrophobicContact CG-CE1 4.41Å; F42-F82 AromaticContact CG-CE2 3.83Å; F42-F82 HydrophobicContact CG-CE2 3.83Å; F42-F82 AromaticContact CG-CG 3.76Å; F42-F82 HydrophobicContact CG-CG 3.76Å; F42-F82 HydrophobicContact CG-CZ 4.23Å; F42-F82 HydrophobicContact CZ-CD1 4.38Å; F42-E88 PolarHBondContact N-OE1 3.08Å; F42-E88 PolarHBondContact N-OE2 3.35Å; F42-I106 HydrophobicContact CE1-CG2 4.01Å; F42-I106 HydrophobicContact CE2-CG2 4.38Å; F42-I106 HydrophobicContact CZ-CD1 4.37Å; F42-I106 HydrophobicContact CZ-CG2 3.57Å
43Q97.4Very high96.5Very high13 Ų1321.1 Ų21.16%0.06111%0.108CC..  trans61.262.5-178.8-49.9-163.7-32.300112.9H12 V45 M54 H87 E88H12-Q43 PolarHBondContact O-OE1 3.43Å; Q43-V45 HydrophobicContact CB-CG2 4.39Å; Q43-V45 PolarHBondContact O-N 3.1Å; Q43-M54 HydrophobicContact CB-CE 4.36Å; Q43-M54 HydrophobicContact CG-CE 4.08Å; Q43-H87 WeakPolarHBondContact CG-O 3.45Å; Q43-H87 PolarHBondContact NE2-O 3.22Å; Q43-H87 VanDerWaalsContact NE2-O 3.14Å; Q43-E88 WeakPolarHBondContact CA-OE2 3.22Å; Q43-E88 PolarHBondContact N-OE2 2.93Å
44S97.7Very high96.4Very high0 Ų020.6 Ų20.60%011%0.105CC..  trans-72.555.2174.258.70000112.9F66 A89 L93S44-F66 VanDerWaalsContact CA-CD1 3.44Å; S44-F66 VanDerWaalsContact CA-CG 3.44Å; S44-F66 WeakPolarHBondContact O-CD1 3.39Å; S44-A89 WeakPolarHBondContact O-CB 3.43Å; S44-L93 WeakPolarHBondContact OG-CD2 3.47Å
45V96.8Very high96.4Very high1 Ų119.2 Ų19.21%0.00610%0.1CC..  trans-78.8120.8-177.5-177.70000110.2Q43 D47 D50 L51 M54 M63 F66 R67 A89Q43-V45 HydrophobicContact CB-CG2 4.39Å; Q43-V45 PolarHBondContact O-N 3.1Å; V45-D47 WeakPolarHBondContact CG1-O 3.37Å; V45-D50 HydrophobicContact CB-CB 4.48Å; V45-D50 HydrophobicContact CG1-CB 3.87Å; V45-L51 HydrophobicContact CB-CD2 4.41Å; V45-L51 HydrophobicContact CG1-CD2 3.54Å; V45-L51 HydrophobicContact CG1-CG 3.7Å; V45-L51 HydrophobicContact CG2-CD2 4.08Å; V45-M54 HydrophobicContact CG2-CE 4.12Å; V45-M54 HydrophobicContact CG2-SD 3.78Å; V45-M63 HydrophobicContact CG1-CE 4.48Å; V45-M63 HydrophobicContact CG1-SD 3.56Å; V45-M63 VanDerWaalsContact CG1-SD 3.56Å; V45-F66 WeakPolarHBondContact O-CD1 3.41Å; V45-R67 PolarHBondContact O-N 2.82Å; V45-A89 HydrophobicContact CG2-CB 4.18Å
46R94.9Very high96.2Very high6 Ų619.8 Ų19.82%0.02310%0.104CC..  trans-94.4-36.8179.2-57.2168.9-66.1151.211.9112.5D50 F66 R67 Y70 Y92 D345R46-D50 VanDerWaalsContact CB-OD2 3.25Å; R46-D50 WeakPolarHBondContact CB-OD2 3.25Å; R46-D50 WeakPolarHBondContact CG-OD2 3.46Å; R46-D50 IonicContact CZ-OD1 2.69Å; R46-D50 IonicContact CZ-OD2 3.87Å; R46-D50 PolarHBondContact N-OD2 3.32Å; R46-D50 IonicContact NE-OD1 2.63Å; R46-D50 IonicContact NE-OD2 3.69Å; R46-D50 PolarHBondContact NE-OD2 3.03Å; R46-D50 IonicContact NH2-OD1 3.95Å; R46-D50 PolarHBondContact NH2-OD1 3.43Å; R46-D50 IonicContact NH2-OD2 3.19Å; R46-F66 HydrophobicContact CG-CD1 4.22Å; R46-F66 HydrophobicContact CG-CE1 3.86Å; R46-R67 WeakPolarHBondContact O-CD 3.34Å; R46-R67 WeakPolarHBondContact O-CG 3.36Å; R46-Y70 HydrophobicContact CB-CD1 4.27Å; R46-Y70 HydrophobicContact CB-CE1 4.41Å; R46-Y70 VanDerWaalsContact CD-CE2 3.49Å; R46-Y70 HydrophobicContact CG-CD1 4.08Å; R46-Y70 HydrophobicContact CG-CD2 3.93Å; R46-Y70 HydrophobicContact CG-CE1 4.29Å; R46-Y70 HydrophobicContact CG-CE2 4.17Å; R46-Y70 HydrophobicContact CG-CG 3.89Å; R46-Y92 HydrophobicContact CG-CD1 4.1Å; R46-Y92 HydrophobicContact CG-CE1 4.12Å; R46-Y92 VanDerWaalsContact NE-CG 3.35Å; R46-D345 IonicContact CZ-OD1 3.61Å; R46-D345 IonicContact CZ-OD2 2.71Å; R46-D345 IonicContact NH1-OD1 2.8Å; R46-D345 PolarHBondContact NH1-OD1 3.1Å; R46-D345 IonicContact NH1-OD2 3.52Å; R46-D345 IonicContact NH2-OD1 3.49Å; R46-D345 PolarHBondContact NH2-OD1 3.4Å
47D93Very high95.9Very high23 Ų2323.3 Ų23.312%0.12313%0.127CC..SBendtrans-155.4-176.2-173.177-5.1000113.1V45 H49 D50 L51 D345V45-D47 WeakPolarHBondContact CG1-O 3.37Å; D47-H49 VanDerWaalsContact C-N 3.28Å; D47-H49 PolarHBondContact O-N 3.46Å; D47-H49 WeakPolarHBondContact OD1-CA 3.24Å; D47-H49 WeakPolarHBondContact OD1-CB 3.34Å; D47-H49 PolarHBondContact OD1-N 3.06Å; D47-H49 IonicContact OD1-ND1 3.8Å; D47-H49 IonicContact OD2-CE1 2.94Å; D47-H49 IonicContact OD2-CG 3.99Å; D47-H49 IonicContact OD2-ND1 3.62Å; D47-H49 PolarHBondContact OD2-ND1 3.17Å; D47-D50 PolarHBondContact O-N 3.45Å; D47-D50 PolarHBondContact OD1-N 3.1Å; D47-L51 PolarHBondContact O-N 2.88Å; D47-D345 WeakPolarHBondContact OD2-CB 3.38Å
48E93.1Very high95.5Very high131 Ų13128.5 Ų28.561%0.61216%0.158SC*.Hα-helixtrans-66.3-25.1179.7-70.276-169.500113.7L51 V52 M63E48-L51 WeakPolarHBondContact O-CB 3.46Å; E48-L51 PolarHBondContact O-N 3.18Å; E48-V52 WeakPolarHBondContact O-CG2 3.29Å; E48-V52 PolarHBondContact O-N 3.22Å; E48-M63 HydrophobicContact CG-CE 4.14Å
49H91.9Very high95.3Very high93 Ų9335.8 Ų35.843%0.43119%0.19SC..Hα-helixtrans-70.1-41.2176.8-58.393.2000110.6D47 L51 V52 S53D47-H49 VanDerWaalsContact C-N 3.28Å; D47-H49 PolarHBondContact O-N 3.46Å; D47-H49 WeakPolarHBondContact OD1-CA 3.24Å; D47-H49 WeakPolarHBondContact OD1-CB 3.34Å; D47-H49 PolarHBondContact OD1-N 3.06Å; D47-H49 IonicContact OD1-ND1 3.8Å; D47-H49 IonicContact OD2-CE1 2.94Å; D47-H49 IonicContact OD2-CG 3.99Å; D47-H49 IonicContact OD2-ND1 3.62Å; D47-H49 PolarHBondContact OD2-ND1 3.17Å; H49-L51 VanDerWaalsContact C-N 3.29Å; H49-L51 PolarHBondContact O-N 2.88Å; H49-V52 PolarHBondContact O-N 3.2Å; H49-V52 VanDerWaalsContact O-N 3.14Å; H49-S53 PolarHBondContact O-N 3.49Å
50D95.2Very high94.9Very high0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-57.6-43.7173.4-71.70.4000110.6V45 R46 D47 V52 S53 M54 A89 N91V45-D50 HydrophobicContact CB-CB 4.48Å; V45-D50 HydrophobicContact CG1-CB 3.87Å; R46-D50 VanDerWaalsContact CB-OD2 3.25Å; R46-D50 WeakPolarHBondContact CB-OD2 3.25Å; R46-D50 WeakPolarHBondContact CG-OD2 3.46Å; R46-D50 IonicContact CZ-OD1 2.69Å; R46-D50 IonicContact CZ-OD2 3.87Å; R46-D50 PolarHBondContact N-OD2 3.32Å; R46-D50 IonicContact NE-OD1 2.63Å; R46-D50 IonicContact NE-OD2 3.69Å; R46-D50 PolarHBondContact NE-OD2 3.03Å; R46-D50 IonicContact NH2-OD1 3.95Å; R46-D50 PolarHBondContact NH2-OD1 3.43Å; R46-D50 IonicContact NH2-OD2 3.19Å; D47-D50 PolarHBondContact O-N 3.45Å; D47-D50 PolarHBondContact OD1-N 3.1Å; D50-V52 VanDerWaalsContact C-N 3.29Å; D50-V52 PolarHBondContact O-N 2.94Å; D50-S53 WeakPolarHBondContact O-CB 3.29Å; D50-S53 PolarHBondContact O-N 3.39Å; D50-S53 PolarHBondContact O-OG 2.9Å; D50-M54 WeakPolarHBondContact O-CG 3.4Å; D50-M54 PolarHBondContact O-N 2.89Å; D50-A89 HydrophobicContact CB-CB 3.97Å; D50-N91 WeakPolarHBondContact CA-OD1 3.44Å; D50-N91 VanDerWaalsContact OD1-CG 3.28Å; D50-N91 PolarHBondContact OD1-ND2 3.05Å; D50-N91 PolarHBondContact OD1-OD1 3.01Å; D50-N91 VanDerWaalsContact OD1-OD1 3.06Å
51L94.9Very high94.6Very high23 Ų2342.5 Ų42.512%0.1222%0.216CC..Hα-helixtrans-58.5-37.7176.4-68.3179000113.1V45 D47 E48 H49 S53 M54 R61 R62 M63V45-L51 HydrophobicContact CB-CD2 4.41Å; V45-L51 HydrophobicContact CG1-CD2 3.54Å; V45-L51 HydrophobicContact CG1-CG 3.7Å; V45-L51 HydrophobicContact CG2-CD2 4.08Å; D47-L51 PolarHBondContact O-N 2.88Å; E48-L51 WeakPolarHBondContact O-CB 3.46Å; E48-L51 PolarHBondContact O-N 3.18Å; H49-L51 VanDerWaalsContact C-N 3.29Å; H49-L51 PolarHBondContact O-N 2.88Å; L51-S53 VanDerWaalsContact C-N 3.27Å; L51-S53 PolarHBondContact O-N 3.03Å; L51-M54 HydrophobicContact CD2-SD 3.75Å; L51-M54 PolarHBondContact O-N 3.3Å; L51-R61 HydrophobicContact CB-CB 4.48Å; L51-R61 HydrophobicContact CD2-CB 4.15Å; L51-R61 VanDerWaalsContact O-CD 3.26Å; L51-R61 WeakPolarHBondContact O-CD 3.29Å; L51-R61 PolarHBondContact O-NE 3.21Å; L51-R62 WeakPolarHBondContact CD2-O 3.37Å; L51-M63 HydrophobicContact CD1-CE 3.77Å; L51-M63 HydrophobicContact CG-CE 4.29Å
52V94.2Very high94.4Very high82 Ų8249 Ų4950%0.49724%0.24SC..Hα-helixtrans-69.3-28.7178.9174.40000111.5E48 H49 D50 M54 K149E48-V52 WeakPolarHBondContact O-CG2 3.29Å; E48-V52 PolarHBondContact O-N 3.22Å; H49-V52 PolarHBondContact O-N 3.2Å; H49-V52 VanDerWaalsContact O-N 3.14Å; D50-V52 VanDerWaalsContact C-N 3.29Å; D50-V52 PolarHBondContact O-N 2.94Å; V52-M54 VanDerWaalsContact C-N 3.34Å; V52-K149 WeakPolarHBondContact O-CE 3.49Å; V52-K149 PolarHBondContact O-NZ 2.86Å
53S94.7Very high94.2Very high10 Ų1051.1 Ų51.17%0.0725%0.251CS..Hα-helixtrans-77.7-15.3179.683.90000114.4H49 D50 L51 S90 N91 K149H49-S53 PolarHBondContact O-N 3.49Å; D50-S53 WeakPolarHBondContact O-CB 3.29Å; D50-S53 PolarHBondContact O-N 3.39Å; D50-S53 PolarHBondContact O-OG 2.9Å; L51-S53 VanDerWaalsContact C-N 3.27Å; L51-S53 PolarHBondContact O-N 3.03Å; S53-S90 PolarHBondContact OG-N 2.89Å; S53-N91 PolarHBondContact OG-N 3.03Å; S53-N91 PolarHBondContact OG-OD1 3.31Å; S53-K149 WeakPolarHBondContact O-CG 3.48Å
54M96.8Very high94.1Very high1 Ų153.1 Ų53.11%0.00526%0.262CS..SBendtrans-72.9138.8-176.9-52.8177.577.600111.8Q43 V45 D50 L51 V52 V56 H87 E88Q43-M54 HydrophobicContact CB-CE 4.36Å; Q43-M54 HydrophobicContact CG-CE 4.08Å; V45-M54 HydrophobicContact CG2-CE 4.12Å; V45-M54 HydrophobicContact CG2-SD 3.78Å; D50-M54 WeakPolarHBondContact O-CG 3.4Å; D50-M54 PolarHBondContact O-N 2.89Å; L51-M54 HydrophobicContact CD2-SD 3.75Å; L51-M54 PolarHBondContact O-N 3.3Å; V52-M54 VanDerWaalsContact C-N 3.34Å; M54-V56 HydrophobicContact CB-CB 4.13Å; M54-V56 HydrophobicContact CB-CG2 4.02Å; M54-V56 HydrophobicContact CE-CG2 4.09Å; M54-V56 PolarHBondContact O-N 2.71Å; M54-H87 WeakPolarHBondContact CE-O 3.41Å; M54-E88 WeakPolarHBondContact CG-O 3.49Å
55A96.3Very high94Very high18 Ų1853.9 Ų53.915%0.14927%0.267CS..SBendtrans-77.852.4168.400000112K149 R150 Y153A55-K149 HydrophobicContact CB-CB 4.23Å; A55-R150 HydrophobicContact CB-CG 4.14Å; A55-Y153 HydrophobicContact CB-CE1 3.67Å
56V92.9Very high94Very high13 Ų1353.9 Ų53.98%0.07927%0.267CS..SBendtrans-125.4135.1-176.2175.70000108.8M54 V58 Y60 R61 H87M54-V56 HydrophobicContact CB-CB 4.13Å; M54-V56 HydrophobicContact CB-CG2 4.02Å; M54-V56 HydrophobicContact CE-CG2 4.09Å; M54-V56 PolarHBondContact O-N 2.71Å; V56-V58 PolarHBondContact O-N 2.8Å; V56-Y60 VanDerWaalsContact CG1-CB 3.47Å; V56-R61 HydrophobicContact CB-CG 4.42Å; V56-R61 HydrophobicContact CG1-CG 4.35Å; V56-R61 PolarHBondContact O-NE 2.9Å; V56-R61 VanDerWaalsContact O-NE 3.13Å; V56-R61 PolarHBondContact O-NH2 2.9Å; V56-H87 HydrophobicContact CG2-CB 3.63Å
57P92.3Very high94.1Very high74 Ų7459.7 Ų59.748%0.48129%0.288SS..  trans-53.3141.1173-25.132.8000111.5K59 Y60P57-K59 HydrophobicContact CB-CG 4.42Å; P57-K59 PolarHBondContact O-N 3.24Å; P57-Y60 HydrophobicContact CB-CD2 3.89Å; P57-Y60 HydrophobicContact CB-CE2 4.43Å; P57-Y60 HydrophobicContact CG-CD2 3.93Å; P57-Y60 HydrophobicContact CG-CE2 4.34Å; P57-Y60 PolarHBondContact O-N 3.42Å
58V91.6Very high94.2Very high110 Ų11061.6 Ų61.667%0.66730%0.296SS*.G310 helixtrans-49.3-40.6-172.5178.90000113.1V56 Y60 R61V56-V58 PolarHBondContact O-N 2.8Å; V58-Y60 PolarHBondContact O-N 3.45Å; V58-R61 WeakPolarHBondContact O-CB 3.33Å; V58-R61 PolarHBondContact O-N 3.26Å
59K93.6Very high94.4Very high153 Ų15355.9 Ų55.967%0.66527%0.269SS*.G310 helixtrans-63.7-18.1179.864.3174.5176161.40115.4P57P57-K59 HydrophobicContact CB-CG 4.42Å; P57-K59 PolarHBondContact O-N 3.24Å
60Y91.2Very high94.6Very high81 Ų8152.1 Ų52.132%0.31825%0.251SS..G310 helixtrans-104.8-2.5-179.8-61.9-59.1000112.9V56 P57 V58 R62V56-Y60 VanDerWaalsContact CG1-CB 3.47Å; P57-Y60 HydrophobicContact CB-CD2 3.89Å; P57-Y60 HydrophobicContact CB-CE2 4.43Å; P57-Y60 HydrophobicContact CG-CD2 3.93Å; P57-Y60 HydrophobicContact CG-CE2 4.34Å; P57-Y60 PolarHBondContact O-N 3.42Å; V58-Y60 PolarHBondContact O-N 3.45Å; Y60-R62 PolarHBondContact O-N 3.5Å
61R92.5Very high94.6Very high60 Ų6055.2 Ų55.223%0.22627%0.27CS..  trans-70.9117174.6-67178.1-171.8177.40.5109.4L51 V56 V58L51-R61 HydrophobicContact CB-CB 4.48Å; L51-R61 HydrophobicContact CD2-CB 4.15Å; L51-R61 VanDerWaalsContact O-CD 3.26Å; L51-R61 WeakPolarHBondContact O-CD 3.29Å; L51-R61 PolarHBondContact O-NE 3.21Å; V56-R61 HydrophobicContact CB-CG 4.42Å; V56-R61 HydrophobicContact CG1-CG 4.35Å; V56-R61 PolarHBondContact O-NE 2.9Å; V56-R61 VanDerWaalsContact O-NE 3.13Å; V56-R61 PolarHBondContact O-NH2 2.9Å; V58-R61 WeakPolarHBondContact O-CB 3.33Å; V58-R61 PolarHBondContact O-N 3.26Å
62R93.7Very high94.5Very high136 Ų13656.2 Ų56.251%0.51329%0.285SS..  trans-135.9137.3-180-62.6-176.5-179.8178.81.5109.5L51 Y60 N64L51-R62 WeakPolarHBondContact CD2-O 3.37Å; Y60-R62 PolarHBondContact O-N 3.5Å; R62-N64 VanDerWaalsContact C-N 3.26Å; R62-N64 WeakPolarHBondContact CB-OD1 3.35Å; R62-N64 PolarHBondContact O-N 3.23Å
63M93.5Very high94.6Very high46 Ų4658.5 Ų58.523%0.22729%0.291CS..  trans-66.3-31.5177.7-165.260.369.500112.3V45 E48 L51 T65V45-M63 HydrophobicContact CG1-CE 4.48Å; V45-M63 HydrophobicContact CG1-SD 3.56Å; V45-M63 VanDerWaalsContact CG1-SD 3.56Å; E48-M63 HydrophobicContact CG-CE 4.14Å; L51-M63 HydrophobicContact CD1-CE 3.77Å; L51-M63 HydrophobicContact CG-CE 4.29Å; M63-T65 PolarHBondContact O-N 2.9Å
64N94.4Very high94.7Very high54 Ų5459.1 Ų59.129%0.28930%0.297SS..  trans43.4-132.7-173.8-67-16.1000111.7H12 G13 R62H12-N64 PolarHBondContact O-ND2 2.85Å; G13-N64 WeakPolarHBondContact O-CB 3.43Å; R62-N64 VanDerWaalsContact C-N 3.26Å; R62-N64 WeakPolarHBondContact CB-OD1 3.35Å; R62-N64 PolarHBondContact O-N 3.23Å
65T95.8Very high94.6Very high17 Ų1767.4 Ų67.410%0.10433%0.333CS..SBendtrans-122.8-7.6-16459.50000114.8G13 E16 M63 R67 K68 Y69G13-T65 PolarHBondContact O-OG1 3.46Å; G13-T65 VanDerWaalsContact O-OG1 3.1Å; E16-T65 HydrophobicContact CB-CG2 4.42Å; E16-T65 VanDerWaalsContact CD-CG2 3.49Å; E16-T65 HydrophobicContact CG-CG2 3.8Å; M63-T65 PolarHBondContact O-N 2.9Å; T65-R67 VanDerWaalsContact C-N 3.25Å; T65-R67 PolarHBondContact O-N 2.88Å; T65-K68 WeakPolarHBondContact O-CB 3.18Å; T65-K68 PolarHBondContact O-N 2.8Å; T65-Y69 WeakPolarHBondContact O-CD2 3.4Å
66F97.9Very high94.6Very high0 Ų067 Ų670%033%0.329CS..Hα-helixtrans-55.1-40.5-177.5177.3-100.7000113.1L15 F42 S44 V45 R46 K68 Y69 Y70 Y92 V102 A103 I106L15-F66 HydrophobicContact CD1-CB 4.16Å; L15-F66 HydrophobicContact CD1-CD2 3.71Å; L15-F66 HydrophobicContact CD1-CG 4.44Å; F42-F66 AromaticContact CE1-CD2 3.78Å; F42-F66 HydrophobicContact CE1-CD2 3.78Å; F42-F66 AromaticContact CE1-CE2 3.9Å; F42-F66 HydrophobicContact CE1-CE2 3.9Å; S44-F66 VanDerWaalsContact CA-CD1 3.44Å; S44-F66 VanDerWaalsContact CA-CG 3.44Å; S44-F66 WeakPolarHBondContact O-CD1 3.39Å; V45-F66 WeakPolarHBondContact O-CD1 3.41Å; R46-F66 HydrophobicContact CG-CD1 4.22Å; R46-F66 HydrophobicContact CG-CE1 3.86Å; F66-K68 PolarHBondContact O-N 2.82Å; F66-Y69 WeakPolarHBondContact O-CB 3.4Å; F66-Y69 PolarHBondContact O-N 2.85Å; F66-Y70 HydrophobicContact CE1-CD2 4.41Å; F66-Y70 HydrophobicContact CE1-CG 4.46Å; F66-Y70 PolarHBondContact O-N 2.86Å; F66-Y92 HydrophobicContact CE1-CD1 4.45Å; F66-Y92 AromaticContact CE1-CE1 3.95Å; F66-Y92 HydrophobicContact CE1-CE1 3.95Å; F66-Y92 HydrophobicContact CZ-CE1 4.09Å; F66-V102 HydrophobicContact CE2-CB 4.41Å; F66-V102 HydrophobicContact CE2-CG2 3.81Å; F66-V102 HydrophobicContact CZ-CB 3.86Å; F66-V102 HydrophobicContact CZ-CG2 3.77Å; F66-V102 WeakPolarHBondContact CZ-O 3.39Å; F66-A103 HydrophobicContact CE2-CB 4.17Å; F66-A103 HydrophobicContact CZ-CB 4.2Å; F66-I106 HydrophobicContact CE2-CD1 4.41Å
67R95.9Very high94.7Very high128 Ų12869.7 Ų69.748%0.48335%0.349SS..Hα-helixtrans-48.2-36.8176.3-174.5178.7-176.9-100.9-0113.3V45 R46 T65 Y69 Y70 T71V45-R67 PolarHBondContact O-N 2.82Å; R46-R67 WeakPolarHBondContact O-CD 3.34Å; R46-R67 WeakPolarHBondContact O-CG 3.36Å; T65-R67 VanDerWaalsContact C-N 3.25Å; T65-R67 PolarHBondContact O-N 2.88Å; R67-Y69 VanDerWaalsContact C-N 3.32Å; R67-Y69 PolarHBondContact O-N 2.81Å; R67-Y70 PolarHBondContact O-N 3.09Å; R67-T71 HydrophobicContact CG-CG2 4.14Å; R67-T71 WeakPolarHBondContact O-CG2 3.41Å; R67-T71 PolarHBondContact O-N 3Å; R67-T71 PolarHBondContact O-OG1 2.95Å
68K96.8Very high95Very high64 Ų6466.6 Ų66.628%0.27833%0.328SS..Hα-helixtrans-63.7-37.5178.7-59.7-175.2177.1179.20112.4E16 T65 F66 T71 G72 E73 A74E16-K68 WeakPolarHBondContact OE1-CD 3.34Å; E16-K68 IonicContact OE1-NZ 2.75Å; E16-K68 PolarHBondContact OE1-NZ 2.87Å; T65-K68 WeakPolarHBondContact O-CB 3.18Å; T65-K68 PolarHBondContact O-N 2.8Å; F66-K68 PolarHBondContact O-N 2.82Å; K68-T71 PolarHBondContact O-OG1 3.39Å; K68-G72 CarbonylContact O-C 3.54Å; K68-G72 PolarHBondContact O-N 3.02Å; K68-E73 HydrophobicContact CB-CB 4.11Å; K68-E73 HydrophobicContact CB-CG 4.42Å; K68-E73 WeakPolarHBondContact CD-OE1 3.49Å; K68-E73 WeakPolarHBondContact CE-OE1 3.49Å; K68-E73 WeakPolarHBondContact O-CA 3.47Å; K68-E73 PolarHBondContact O-N 3.46Å; K68-A74 HydrophobicContact CB-CB 3.85Å; K68-A74 PolarHBondContact O-N 2.9Å
69Y97Very high95.3Very high11 Ų1162.2 Ų62.24%0.04330%0.301CS..Hα-helixtrans-75-39.4176.8-58.6-88.8000110.9L15 Y19 T65 F66 R67 G72 A74 A76 P104 I106L15-Y69 HydrophobicContact CB-CD2 4.34Å; L15-Y69 HydrophobicContact CB-CE2 3.68Å; L15-Y69 HydrophobicContact CD1-CD2 3.94Å; L15-Y69 HydrophobicContact CD1-CE2 4.14Å; Y19-Y69 AromaticContact CD2-CE1 3.63Å; Y19-Y69 HydrophobicContact CD2-CE1 3.63Å; Y19-Y69 AromaticContact CD2-CZ 3.57Å; Y19-Y69 VanDerWaalsContact CD2-OH 3.29Å; Y19-Y69 WeakPolarHBondContact CD2-OH 3.35Å; Y19-Y69 HydrophobicContact CE2-CD1 4.18Å; Y19-Y69 AromaticContact CE2-CE1 3.57Å; Y19-Y69 HydrophobicContact CE2-CE1 3.57Å; Y19-Y69 HydrophobicContact CE2-CE2 4.49Å; Y19-Y69 AromaticContact CE2-CZ 3.77Å; T65-Y69 WeakPolarHBondContact O-CD2 3.4Å; F66-Y69 WeakPolarHBondContact O-CB 3.4Å; F66-Y69 PolarHBondContact O-N 2.85Å; R67-Y69 VanDerWaalsContact C-N 3.32Å; R67-Y69 PolarHBondContact O-N 2.81Å; Y69-G72 PolarHBondContact O-N 2.84Å; Y69-A74 HydrophobicContact CD1-CB 3.94Å; Y69-A74 HydrophobicContact CE1-CB 3.77Å; Y69-A74 HydrophobicContact CE2-CB 4.36Å; Y69-A74 HydrophobicContact CG-CB 4.31Å; Y69-A76 HydrophobicContact CD1-CB 4.48Å; Y69-P104 WeakPolarHBondContact O-CD 3.36Å; Y69-I106 HydrophobicContact CD1-CD1 4.36Å; Y69-I106 HydrophobicContact CG-CD1 4.23Å
70Y95.6Very high95.5Very high14 Ų1454.9 Ų54.96%0.05527%0.269CS..Hα-helixtrans-60.8-45.7175.2177.1-101.8000112.4R46 F66 R67 G72 F338 V340 S341R46-Y70 HydrophobicContact CB-CD1 4.27Å; R46-Y70 HydrophobicContact CB-CE1 4.41Å; R46-Y70 VanDerWaalsContact CD-CE2 3.49Å; R46-Y70 HydrophobicContact CG-CD1 4.08Å; R46-Y70 HydrophobicContact CG-CD2 3.93Å; R46-Y70 HydrophobicContact CG-CE1 4.29Å; R46-Y70 HydrophobicContact CG-CE2 4.17Å; R46-Y70 HydrophobicContact CG-CG 3.89Å; F66-Y70 HydrophobicContact CE1-CD2 4.41Å; F66-Y70 HydrophobicContact CE1-CG 4.46Å; F66-Y70 PolarHBondContact O-N 2.86Å; R67-Y70 PolarHBondContact O-N 3.09Å; Y70-G72 VanDerWaalsContact C-N 3.31Å; Y70-G72 PolarHBondContact O-N 3.12Å; Y70-F338 HydrophobicContact CD2-CE2 4.05Å; Y70-F338 AromaticContact CD2-CZ 3.61Å; Y70-F338 HydrophobicContact CD2-CZ 3.61Å; Y70-F338 HydrophobicContact CE2-CE2 4.07Å; Y70-F338 AromaticContact CE2-CZ 3.78Å; Y70-F338 HydrophobicContact CE2-CZ 3.78Å; Y70-F338 HydrophobicContact CG-CZ 4.45Å; Y70-V340 HydrophobicContact CE1-CG1 3.79Å; Y70-V340 WeakPolarHBondContact O-CG2 3.14Å; Y70-S341 WeakPolarHBondContact OH-CB 3.3Å; Y70-S341 PolarHBondContact OH-N 2.8Å; Y70-S341 VanDerWaalsContact OH-N 3.08Å
71T94.4Very high95.9Very high64 Ų6451.1 Ų51.139%0.39325%0.254SS..Hα-helixtrans-80-10.7-179.8600000113.9R67 K68R67-T71 HydrophobicContact CG-CG2 4.14Å; R67-T71 WeakPolarHBondContact O-CG2 3.41Å; R67-T71 PolarHBondContact O-N 3Å; R67-T71 PolarHBondContact O-OG1 2.95Å; K68-T71 PolarHBondContact O-OG1 3.39Å
72G93.2Very high96.2Very high44 Ų4448.2 Ų48.245%0.45424%0.244SC..THydrogen-bonded Turntrans80.98.8-175.200000115.1K68 Y69 Y70 A74K68-G72 CarbonylContact O-C 3.54Å; K68-G72 PolarHBondContact O-N 3.02Å; Y69-G72 PolarHBondContact O-N 2.84Å; Y70-G72 VanDerWaalsContact C-N 3.31Å; Y70-G72 PolarHBondContact O-N 3.12Å; G72-A74 VanDerWaalsContact C-N 3.25Å; G72-A74 PolarHBondContact O-N 2.86Å
73E96.2Very high96.4Very high130 Ų13041.8 Ų41.861%0.60722%0.219SC*.SBendtrans-60-38.3169-179.3-171.4145.800111.2K68K68-E73 HydrophobicContact CB-CB 4.11Å; K68-E73 HydrophobicContact CB-CG 4.42Å; K68-E73 WeakPolarHBondContact CD-OE1 3.49Å; K68-E73 WeakPolarHBondContact CE-OE1 3.49Å; K68-E73 WeakPolarHBondContact O-CA 3.47Å; K68-E73 PolarHBondContact O-N 3.46Å
74A96.6Very high96.7Very high24 Ų2439.7 Ų39.720%0.19821%0.21CC..SBendtrans-121.7159.5173.900000110.7K68 Y69 G72K68-A74 HydrophobicContact CB-CB 3.85Å; K68-A74 PolarHBondContact O-N 2.9Å; Y69-A74 HydrophobicContact CD1-CB 3.94Å; Y69-A74 HydrophobicContact CE1-CB 3.77Å; Y69-A74 HydrophobicContact CE2-CB 4.36Å; Y69-A74 HydrophobicContact CG-CB 4.31Å; G72-A74 VanDerWaalsContact C-N 3.25Å; G72-A74 PolarHBondContact O-N 2.86Å
75K95.2Very high96.9Very high175 Ų17537.2 Ų37.276%0.76120%0.197SC*.  trans-125.3137.6176.6-63.7-174.3-179.4-1770110.1S77K75-S77 PolarHBondContact O-N 3.34Å
76A96.9Very high97Very high8 Ų836.8 Ų36.87%0.06619%0.194CC..  trans-67.9121.3171.500000109.7Y19 Y69 V78 N105 I106Y19-A76 HydrophobicContact CE1-CB 3.82Å; Y19-A76 HydrophobicContact CE2-CB 4.09Å; Y19-A76 VanDerWaalsContact CZ-CB 3.42Å; Y19-A76 WeakPolarHBondContact OH-CB 3.29Å; Y69-A76 HydrophobicContact CD1-CB 4.48Å; A76-V78 VanDerWaalsContact C-N 3.26Å; A76-V78 PolarHBondContact O-N 3.2Å; A76-N105 HydrophobicContact CB-CB 4.13Å; A76-N105 PolarHBondContact O-ND2 3.38Å; A76-N105 VanDerWaalsContact O-ND2 3.08Å; A76-I106 HydrophobicContact CB-CD1 4.05Å; A76-I106 HydrophobicContact CB-CG1 3.68Å
77S95.3Very high96.9Very high71 Ų7139.1 Ų39.150%0.49721%0.205SC..SBendtrans-72.6-17.4-173.853.20000114.1Y19 K75Y19-S77 WeakPolarHBondContact CD1-OG 3.35Å; K75-S77 PolarHBondContact O-N 3.34Å
78V97.2Very high97Very high9 Ų933.1 Ų33.16%0.05518%0.182CC..SBendtrans-138.7150.7178.257.30000108.3Y19 V22 L33 L36 A76 T80 N105Y19-V78 HydrophobicContact CD1-CG1 4.42Å; Y19-V78 HydrophobicContact CE1-CG1 4.1Å; V22-V78 HydrophobicContact CG1-CG1 4.23Å; V22-V78 HydrophobicContact CG2-CG1 4.34Å; L33-V78 HydrophobicContact CB-CG2 4.04Å; L33-V78 WeakPolarHBondContact O-CG2 3.32Å; L36-V78 HydrophobicContact CB-CG1 3.72Å; L36-V78 HydrophobicContact CB-CG2 4.46Å; L36-V78 HydrophobicContact CD2-CG1 4.17Å; L36-V78 HydrophobicContact CG-CG1 4.48Å; A76-V78 VanDerWaalsContact C-N 3.26Å; A76-V78 PolarHBondContact O-N 3.2Å; V78-T80 PolarHBondContact O-N 3.34Å; V78-T80 PolarHBondContact O-OG1 2.99Å; V78-N105 PolarHBondContact O-ND2 2.97Å
79L97.8Very high97Very high17 Ų1730.1 Ų30.19%0.08917%0.169CC..  trans-59.2122.7172.5174.864000109.1L35 L36 W101 N105 F117 L276L35-L79 HydrophobicContact CD1-CB 4.19Å; L35-L79 HydrophobicContact CD1-CD2 3.84Å; L35-L79 HydrophobicContact CD1-CG 3.83Å; L35-L79 WeakPolarHBondContact CD1-O 3.37Å; L36-L79 PolarHBondContact N-O 2.85Å; L79-W101 HydrophobicContact CD1-CH2 3.53Å; L79-W101 HydrophobicContact CD1-CZ3 3.5Å; L79-W101 VanDerWaalsContact CD1-CZ3 3.5Å; L79-N105 VanDerWaalsContact CA-OD1 3.29Å; L79-N105 WeakPolarHBondContact CA-OD1 3.49Å; L79-N105 WeakPolarHBondContact CB-OD1 3.4Å; L79-N105 WeakPolarHBondContact CD1-OD1 3.37Å; L79-N105 PolarHBondContact N-ND2 3.45Å; L79-F117 HydrophobicContact CD2-CD2 3.49Å; L79-F117 VanDerWaalsContact CD2-CD2 3.49Å; L79-F117 HydrophobicContact CD2-CE2 3.41Å; L79-F117 VanDerWaalsContact CD2-CE2 3.41Å; L79-F117 HydrophobicContact CD2-CG 4.44Å; L79-F117 HydrophobicContact CD2-CZ 4.31Å; L79-L276 HydrophobicContact CD2-CB 4.12Å; L79-L276 HydrophobicContact CD2-CD1 4.48Å
80T98.7Very high97Very high0 Ų029.9 Ų29.90%017%0.169CC..EExtended strand (participates in β ladder)trans-113.8118.7-177.5-60.10000110.2Y19 L36 F42 V78 N105 I106 F107Y19-T80 PolarHBondContact OH-OG1 3.35Å; L36-T80 HydrophobicContact CB-CG2 4.41Å; L36-T80 HydrophobicContact CD2-CG2 4.07Å; L36-T80 HydrophobicContact CG-CG2 4.41Å; L36-T80 CarbonylContact O-C 3.59Å; L36-T80 WeakPolarHBondContact O-CA 3.48Å; F42-T80 HydrophobicContact CE2-CG2 4.12Å; V78-T80 PolarHBondContact O-N 3.34Å; V78-T80 PolarHBondContact O-OG1 2.99Å; T80-N105 PolarHBondContact N-O 3.26Å; T80-I106 HydrophobicContact CG2-CG2 4.38Å; T80-I106 CarbonylContact O-C 3.56Å; T80-I106 WeakPolarHBondContact O-CA 3.36Å; T80-F107 PolarHBondContact O-N 2.95Å
81L98.8Very high97Very high1 Ų129.9 Ų29.91%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-97.3144.2167.7-56.4-173.9000109.6L35 L36 I37 C38 F107 I122 L276L35-L81 HydrophobicContact CD1-CD1 4.13Å; L35-L81 HydrophobicContact CD1-CG 3.84Å; L35-L81 HydrophobicContact CD2-CD1 4.19Å; L36-L81 PolarHBondContact O-N 2.82Å; I37-L81 CarbonylContact C-O 3.56Å; I37-L81 WeakPolarHBondContact CA-O 3.36Å; C38-L81 PolarHBondContact N-O 3.48Å; L81-F107 WeakPolarHBondContact CA-O 3.44Å; L81-F107 HydrophobicContact CD2-CB 3.69Å; L81-F107 HydrophobicContact CD2-CD1 4.29Å; L81-F107 HydrophobicContact CD2-CG 4.32Å; L81-I122 HydrophobicContact CD1-CD1 3.91Å; L81-L276 HydrophobicContact CD1-CD1 4.2Å; L81-L276 HydrophobicContact CD2-CD1 3.88Å; L81-L276 HydrophobicContact CD2-CD2 3.85Å
82F98.9Very high97.1Very high0 Ų027 Ų270%015%0.152CC..EExtended strand (participates in β ladder)trans-146.3148.5169.275-77.4000113.2C38 F42 L93 V102 I106 F107 F108 M109C38-F82 HydrophobicContact CB-CB 3.76Å; C38-F82 VanDerWaalsContact O-CA 3.26Å; C38-F82 WeakPolarHBondContact O-CA 3.41Å; C38-F82 WeakPolarHBondContact O-CB 3.29Å; F42-F82 HydrophobicContact CB-CB 4.49Å; F42-F82 HydrophobicContact CB-CD2 3.35Å; F42-F82 HydrophobicContact CB-CE2 3.65Å; F42-F82 HydrophobicContact CB-CG 4.01Å; F42-F82 HydrophobicContact CB-CZ 4.49Å; F42-F82 HydrophobicContact CD1-CD1 4.33Å; F42-F82 HydrophobicContact CD1-CD2 4.11Å; F42-F82 HydrophobicContact CD1-CE1 4.15Å; F42-F82 AromaticContact CD1-CE2 3.92Å; F42-F82 HydrophobicContact CD1-CE2 3.92Å; F42-F82 HydrophobicContact CD1-CG 4.31Å; F42-F82 AromaticContact CD1-CZ 3.92Å; F42-F82 HydrophobicContact CD1-CZ 3.92Å; F42-F82 HydrophobicContact CD2-CB 3.83Å; F42-F82 HydrophobicContact CD2-CD1 4.15Å; F42-F82 HydrophobicContact CD2-CD2 4.01Å; F42-F82 AromaticContact CD2-CG 3.74Å; F42-F82 HydrophobicContact CD2-CG 3.74Å; F42-F82 HydrophobicContact CE1-CD1 4.43Å; F42-F82 HydrophobicContact CE1-CE1 4.23Å; F42-F82 HydrophobicContact CE1-CZ 4.38Å; F42-F82 HydrophobicContact CE2-CB 4.36Å; F42-F82 HydrophobicContact CE2-CD1 4.24Å; F42-F82 HydrophobicContact CE2-CG 4.26Å; F42-F82 HydrophobicContact CG-CB 4.29Å; F42-F82 HydrophobicContact CG-CD1 4.18Å; F42-F82 AromaticContact CG-CD2 3.57Å; F42-F82 HydrophobicContact CG-CD2 3.57Å; F42-F82 HydrophobicContact CG-CE1 4.41Å; F42-F82 AromaticContact CG-CE2 3.83Å; F42-F82 HydrophobicContact CG-CE2 3.83Å; F42-F82 AromaticContact CG-CG 3.76Å; F42-F82 HydrophobicContact CG-CG 3.76Å; F42-F82 HydrophobicContact CG-CZ 4.23Å; F42-F82 HydrophobicContact CZ-CD1 4.38Å; F82-L93 HydrophobicContact CE2-CD1 4.22Å; F82-L93 HydrophobicContact CE2-CD2 4.13Å; F82-L93 HydrophobicContact CZ-CD2 3.97Å; F82-V102 HydrophobicContact CE1-CG1 4.31Å; F82-V102 HydrophobicContact CE1-CG2 3.58Å; F82-V102 HydrophobicContact CZ-CG1 4.11Å; F82-V102 HydrophobicContact CZ-CG2 3.96Å; F82-I106 HydrophobicContact CD1-CG2 4.08Å; F82-I106 HydrophobicContact CE1-CG2 3.97Å; F82-F107 VanDerWaalsContact CD1-O 3.31Å; F82-F107 WeakPolarHBondContact CD1-O 3.5Å; F82-F107 PolarHBondContact N-O 3.34Å; F82-F108 HydrophobicContact CD1-CB 4.39Å; F82-F108 AromaticContact CD2-CD2 3.98Å; F82-F108 HydrophobicContact CD2-CD2 3.98Å; F82-F108 VanDerWaalsContact CE1-CA 3.45Å; F82-F108 HydrophobicContact CE1-CB 3.57Å; F82-F108 HydrophobicContact CE1-CD2 4.36Å; F82-F108 HydrophobicContact CE1-CG 4.39Å; F82-F108 HydrophobicContact CE2-CB 4.16Å; F82-F108 AromaticContact CE2-CD2 3.51Å; F82-F108 HydrophobicContact CE2-CD2 3.51Å; F82-F108 HydrophobicContact CE2-CE2 4.28Å; F82-F108 HydrophobicContact CE2-CG 4.11Å; F82-F108 HydrophobicContact CZ-CB 3.46Å; F82-F108 VanDerWaalsContact CZ-CB 3.46Å; F82-F108 AromaticContact CZ-CD2 3.75Å; F82-F108 HydrophobicContact CZ-CD2 3.75Å; F82-F108 AromaticContact CZ-CG 3.86Å; F82-F108 HydrophobicContact CZ-CG 3.86Å; F82-M109 WeakPolarHBondContact O-CG 3.38Å; F82-M109 PolarHBondContact O-N 3.36Å
83V98.9Very high97.3Very high0 Ų025.7 Ų25.70%013%0.134CC..  trans-93.4157.1161.4-63.30000108.7C38 G40 M109 S126 V174 H176C38-V83 PolarHBondContact O-N 3.45Å; G40-V83 WeakPolarHBondContact CA-O 3.29Å; G40-V83 PolarHBondContact N-O 2.98Å; V83-M109 HydrophobicContact CG1-CB 4.3Å; V83-M109 HydrophobicContact CG1-CG 4.48Å; V83-M109 HydrophobicContact CG1-SD 3.84Å; V83-S126 WeakPolarHBondContact CA-OG 3.47Å; V83-V174 HydrophobicContact CG1-CB 4.1Å; V83-V174 HydrophobicContact CG1-CG1 4.01Å; V83-V174 HydrophobicContact CG2-CG1 3.83Å; V83-H176 HydrophobicContact CG2-CB 4.44Å
84G98.6Very high97.3Very high3 Ų320 Ų203%0.03111%0.107CC..  trans-86.7147.9177.700000111.9E88 S126 G127 H176G84-E88 WeakPolarHBondContact CA-OE1 3.15Å; G84-S126 PolarHBondContact N-OG 2.87Å; G84-S126 CarbonylContact O-C 3.55Å; G84-S126 WeakPolarHBondContact O-CA 3.45Å; G84-G127 PolarHBondContact O-N 3.42Å; G84-H176 WeakPolarHBondContact O-CB 3.24Å
85G98.4Very high97.3Very high1 Ų119.5 Ų19.51%0.0110%0.101CC..  trans-104.2-154170.200000114.1D41 E88 H176D41-G85 WeakPolarHBondContact OD1-CA 3.23Å; G85-E88 PolarHBondContact N-OE1 3.39Å; G85-E88 WeakPolarHBondContact O-CG 3.42Å; G85-H176 WeakPolarHBondContact CA-CD2 3.26Å; G85-H176 VanDerWaalsContact CA-CG 3.45Å
86N98Very high97.4Very high8 Ų811.2 Ų11.24%0.0437%0.065CC..SBendtrans-97.6-6.6-17863.8-75.8000113.9D41 I128 Y153 H176 H228D41-N86 PolarHBondContact OD1-N 3.37Å; N86-I128 HydrophobicContact CB-CD1 4.15Å; N86-I128 HydrophobicContact CB-CG2 4.13Å; N86-Y153 HydrophobicContact CB-CD1 4.4Å; N86-Y153 HydrophobicContact CB-CD2 3.74Å; N86-Y153 HydrophobicContact CB-CE1 4.05Å; N86-Y153 HydrophobicContact CB-CE2 3.39Å; N86-Y153 HydrophobicContact CB-CG 4.27Å; N86-Y153 WeakPolarHBondContact O-CE1 3.38Å; N86-H176 PolarHBondContact OD1-NE2 2.95Å; N86-H228 PolarHBondContact OD1-CE1 3Å; N86-H228 PolarHBondContact OD1-ND1 3.43Å; N86-H228 VanDerWaalsContact OD1-ND1 3.11Å
87H97.3Very high97.5Very high49 Ų4911.2 Ų11.223%0.2276%0.064CC..SBendtrans-11538.9178.3-59.4132.2000112.8D41 Q43 M54 V56D41-H87 IonicContact OD1-CG 3.92Å; D41-H87 PolarHBondContact OD1-N 3.04Å; D41-H87 IonicContact OD1-ND1 3.69Å; D41-H87 IonicContact OD2-CE1 2.83Å; D41-H87 IonicContact OD2-CG 2.84Å; D41-H87 IonicContact OD2-ND1 4Å; D41-H87 PolarHBondContact OD2-ND1 3.46Å; Q43-H87 WeakPolarHBondContact CG-O 3.45Å; Q43-H87 PolarHBondContact NE2-O 3.22Å; Q43-H87 VanDerWaalsContact NE2-O 3.14Å; M54-H87 WeakPolarHBondContact CE-O 3.41Å; V56-H87 HydrophobicContact CG2-CB 3.63Å
88E97.7Very high97.6Very high3 Ų38.3 Ų8.31%0.0144%0.042CC..SBendtrans-90.6164.1-173.7-60.1-65.7-179.300113.9D41 F42 Q43 M54 G84 G85 S90 L93D41-E88 WeakPolarHBondContact CA-OE1 3.25Å; D41-E88 PolarHBondContact N-OE1 3.21Å; F42-E88 PolarHBondContact N-OE1 3.08Å; F42-E88 PolarHBondContact N-OE2 3.35Å; Q43-E88 WeakPolarHBondContact CA-OE2 3.22Å; Q43-E88 PolarHBondContact N-OE2 2.93Å; M54-E88 WeakPolarHBondContact CG-O 3.49Å; G84-E88 WeakPolarHBondContact CA-OE1 3.15Å; G85-E88 PolarHBondContact N-OE1 3.39Å; G85-E88 WeakPolarHBondContact O-CG 3.42Å; E88-S90 PolarHBondContact O-N 2.92Å; E88-S90 PolarHBondContact O-OG 2.8Å; E88-L93 HydrophobicContact CB-CD1 3.68Å; E88-L93 HydrophobicContact CG-CD1 3.76Å
89A96.7Very high97.7Very high0 Ų08.2 Ų8.20%04%0.043CC..  trans-68.173.9159.500000109.3S44 V45 D50 N91 Y92 L93S44-A89 WeakPolarHBondContact O-CB 3.43Å; V45-A89 HydrophobicContact CG2-CB 4.18Å; D50-A89 HydrophobicContact CB-CB 3.97Å; A89-N91 PolarHBondContact O-N 3.36Å; A89-Y92 PolarHBondContact O-N 3.39Å; A89-L93 PolarHBondContact O-N 3.37Å; A89-L93 VanDerWaalsContact O-N 3.11Å
90S96.5Very high97.7Very high6 Ų67.5 Ų7.54%0.0424%0.04CC..Hα-helixtrans-58.4-35.1-168.5-66.80000112.9S53 E88 Y92 W94S53-S90 PolarHBondContact OG-N 2.89Å; E88-S90 PolarHBondContact O-N 2.92Å; E88-S90 PolarHBondContact O-OG 2.8Å; S90-Y92 VanDerWaalsContact C-N 3.32Å; S90-Y92 PolarHBondContact O-N 3.29Å; S90-W94 WeakPolarHBondContact O-CA 3.33Å; S90-W94 WeakPolarHBondContact O-CB 3.43Å; S90-W94 PolarHBondContact O-N 3.23Å
91N95.7Very high97.7Very high15 Ų157.8 Ų7.88%0.084%0.041CC..Hα-helixtrans-65.5-35.3178.366-36.5000112.5D50 S53 A89 Q95 P142 F144D50-N91 WeakPolarHBondContact CA-OD1 3.44Å; D50-N91 VanDerWaalsContact OD1-CG 3.28Å; D50-N91 PolarHBondContact OD1-ND2 3.05Å; D50-N91 PolarHBondContact OD1-OD1 3.01Å; D50-N91 VanDerWaalsContact OD1-OD1 3.06Å; S53-N91 PolarHBondContact OG-N 3.03Å; S53-N91 PolarHBondContact OG-OD1 3.31Å; A89-N91 PolarHBondContact O-N 3.36Å; N91-Q95 PolarHBondContact O-NE2 3.19Å; N91-P142 HydrophobicContact CB-CB 4.34Å; N91-F144 HydrophobicContact CB-CE2 4.02Å
92Y96Very high97.6Very high4 Ų47.7 Ų7.72%0.0164%0.04CC..Hα-helixtrans-75.4-50.1178.6-176.2-148.4000110.9R46 F66 A89 S90 W94 Q95 V102R46-Y92 HydrophobicContact CG-CD1 4.1Å; R46-Y92 HydrophobicContact CG-CE1 4.12Å; R46-Y92 VanDerWaalsContact NE-CG 3.35Å; F66-Y92 HydrophobicContact CE1-CD1 4.45Å; F66-Y92 AromaticContact CE1-CE1 3.95Å; F66-Y92 HydrophobicContact CE1-CE1 3.95Å; F66-Y92 HydrophobicContact CZ-CE1 4.09Å; A89-Y92 PolarHBondContact O-N 3.39Å; S90-Y92 VanDerWaalsContact C-N 3.32Å; S90-Y92 PolarHBondContact O-N 3.29Å; Y92-W94 PolarHBondContact O-N 2.79Å; Y92-Q95 WeakPolarHBondContact O-CB 3.35Å; Y92-Q95 PolarHBondContact O-N 3.32Å; Y92-Q95 VanDerWaalsContact O-N 3.13Å; Y92-V102 HydrophobicContact CE1-CB 3.72Å; Y92-V102 HydrophobicContact CE1-CG1 3.97Å; Y92-V102 VanDerWaalsContact OH-CA 3.27Å; Y92-V102 WeakPolarHBondContact OH-CA 3.37Å; Y92-V102 PolarHBondContact OH-O 2.82Å
93L97.6Very high97.5Very high15 Ų157.7 Ų7.78%0.0794%0.04CC..Hα-helixtrans-65.1-28.7178.2-60-168.7000112.6S44 F82 E88 A89 Q95 L96 V102 F108S44-L93 WeakPolarHBondContact OG-CD2 3.47Å; F82-L93 HydrophobicContact CE2-CD1 4.22Å; F82-L93 HydrophobicContact CE2-CD2 4.13Å; F82-L93 HydrophobicContact CZ-CD2 3.97Å; E88-L93 HydrophobicContact CB-CD1 3.68Å; E88-L93 HydrophobicContact CG-CD1 3.76Å; A89-L93 PolarHBondContact O-N 3.37Å; A89-L93 VanDerWaalsContact O-N 3.11Å; L93-Q95 PolarHBondContact O-N 2.76Å; L93-L96 PolarHBondContact O-N 3.04Å; L93-V102 HydrophobicContact CD2-CG1 4.19Å; L93-F108 HydrophobicContact CB-CD1 4.34Å; L93-F108 HydrophobicContact CB-CE1 3.75Å; L93-F108 HydrophobicContact CB-CZ 4Å; L93-F108 HydrophobicContact CD1-CD2 4.44Å; L93-F108 HydrophobicContact CD1-CE1 4.45Å; L93-F108 HydrophobicContact CD1-CE2 4.06Å; L93-F108 HydrophobicContact CD1-CZ 4.05Å; L93-F108 HydrophobicContact CD2-CB 4.4Å; L93-F108 HydrophobicContact CD2-CD1 3.79Å; L93-F108 HydrophobicContact CD2-CD2 4.22Å; L93-F108 HydrophobicContact CD2-CE1 4.04Å; L93-F108 HydrophobicContact CD2-CE2 4.48Å; L93-F108 HydrophobicContact CD2-CG 3.88Å; L93-F108 HydrophobicContact CD2-CZ 4.39Å; L93-F108 HydrophobicContact CG-CE1 4.29Å; L93-F108 HydrophobicContact CG-CZ 4.38Å
94W97.2Very high97.3Very high12 Ų1210 Ų105%0.0456%0.055CC..Hα-helixtrans-58-30.6174.6174.494.7000112.8S90 Y92 L96 E140 K141 P142 F144 P367 L370 L371S90-W94 WeakPolarHBondContact O-CA 3.33Å; S90-W94 WeakPolarHBondContact O-CB 3.43Å; S90-W94 PolarHBondContact O-N 3.23Å; Y92-W94 PolarHBondContact O-N 2.79Å; W94-L96 PolarHBondContact O-N 3.13Å; W94-E140 PolarHBondContact NE1-O 2.74Å; W94-K141 HydrophobicContact CZ2-CB 4.02Å; W94-P142 HydrophobicContact CD2-CG 4.28Å; W94-P142 HydrophobicContact CE3-CG 4.02Å; W94-P142 HydrophobicContact CZ3-CG 4.19Å; W94-F144 HydrophobicContact CB-CZ 4.11Å; W94-F144 AromaticContact CD1-CZ 3.93Å; W94-F144 HydrophobicContact CG-CZ 4.02Å; W94-P367 HydrophobicContact CE3-CB 4.34Å; W94-P367 HydrophobicContact CE3-CG 4.43Å; W94-P367 HydrophobicContact CH2-CB 3.58Å; W94-P367 HydrophobicContact CH2-CG 4.36Å; W94-P367 HydrophobicContact CZ2-CB 4.18Å; W94-P367 HydrophobicContact CZ3-CB 3.68Å; W94-P367 HydrophobicContact CZ3-CG 4.25Å; W94-L370 HydrophobicContact CZ2-CB 3.88Å; W94-L370 HydrophobicContact CZ2-CD1 3.7Å; W94-L370 HydrophobicContact CZ2-CG 4.45Å; W94-L371 HydrophobicContact CH2-CD1 4.24Å; W94-L371 HydrophobicContact CH2-CD2 4.31Å; W94-L371 HydrophobicContact CH2-CG 4.04Å
95Q96.2Very high97.2Very high13 Ų1311.9 Ų11.96%0.0616%0.064CC..THydrogen-bonded Turntrans-72.9-14.4178.5-56.8171.630.700113.3N91 Y92 L93 P97 N351 T354N91-Q95 PolarHBondContact O-NE2 3.19Å; Y92-Q95 WeakPolarHBondContact O-CB 3.35Å; Y92-Q95 PolarHBondContact O-N 3.32Å; Y92-Q95 VanDerWaalsContact O-N 3.13Å; L93-Q95 PolarHBondContact O-N 2.76Å; Q95-P97 VanDerWaalsContact O-CD 3.31Å; Q95-P97 WeakPolarHBondContact O-CD 3.4Å; Q95-N351 HydrophobicContact CB-CB 3.83Å; Q95-T354 WeakPolarHBondContact O-CB 3.21Å; Q95-T354 PolarHBondContact O-OG1 2.66Å
96L97.3Very high97.2Very high0 Ų011.8 Ų11.80%06%0.064CC..  trans-121.154.5-172.3-65.3169.6000111.4L93 W94 Y98 G99 V102 F108 G110 N351 Q353L93-L96 PolarHBondContact O-N 3.04Å; W94-L96 PolarHBondContact O-N 3.13Å; L96-Y98 PolarHBondContact O-N 3.17Å; L96-Y98 VanDerWaalsContact O-N 3.16Å; L96-G99 PolarHBondContact O-N 3.41Å; L96-V102 HydrophobicContact CD1-CG1 3.73Å; L96-F108 HydrophobicContact CB-CD1 3.86Å; L96-F108 HydrophobicContact CB-CE1 4.3Å; L96-F108 WeakPolarHBondContact O-CE1 3.48Å; L96-G110 VanDerWaalsContact O-CA 3.32Å; L96-G110 WeakPolarHBondContact O-CA 3.29Å; L96-N351 HydrophobicContact CD2-CB 4.28Å; L96-Q353 HydrophobicContact CD2-CB 4.31Å
97P98.1Very high97.3Very high8 Ų811.4 Ų11.45%0.0526%0.062CC..THydrogen-bonded Turntrans-62.9-26-17530.4-39.2000113.4Q95 K111 T354 L366 P367Q95-P97 VanDerWaalsContact O-CD 3.31Å; Q95-P97 WeakPolarHBondContact O-CD 3.4Å; P97-K111 HydrophobicContact CB-CD 4.22Å; P97-K111 HydrophobicContact CB-CG 4.42Å; P97-K111 PolarHBondContact O-N 3.46Å; P97-T354 HydrophobicContact CG-CG2 4.29Å; P97-L366 HydrophobicContact CB-CD2 4.16Å; P97-L366 HydrophobicContact CG-CB 4.3Å; P97-P367 HydrophobicContact CG-CG 4.29Å
98Y98.4Very high97.3Very high11 Ų119.5 Ų9.54%0.0435%0.053CC..THydrogen-bonded Turntrans-99.39.1178.4-54.8-67.3000113.1L96 N113 L286 T354 F357 C358 I363 Q364L96-Y98 PolarHBondContact O-N 3.17Å; L96-Y98 VanDerWaalsContact O-N 3.16Å; Y98-N113 PolarHBondContact O-ND2 2.77Å; Y98-L286 HydrophobicContact CD1-CD1 4.27Å; Y98-L286 HydrophobicContact CD1-CD2 4.32Å; Y98-L286 HydrophobicContact CE1-CD2 4.34Å; Y98-T354 HydrophobicContact CD2-CG2 4.4Å; Y98-F357 HydrophobicContact CD1-CE1 4.28Å; Y98-F357 HydrophobicContact CD2-CD1 4.03Å; Y98-F357 HydrophobicContact CD2-CE1 4.17Å; Y98-F357 HydrophobicContact CG-CD1 4.02Å; Y98-F357 AromaticContact CG-CE1 3.75Å; Y98-F357 HydrophobicContact CG-CE1 3.75Å; Y98-C358 WeakPolarHBondContact CE2-SG 3.49Å; Y98-I363 HydrophobicContact CD1-CD1 4.22Å; Y98-I363 HydrophobicContact CD2-CD1 4.32Å; Y98-I363 HydrophobicContact CE1-CD1 3.8Å; Y98-I363 HydrophobicContact CE2-CD1 3.91Å; Y98-I363 HydrophobicContact CG-CD1 4.47Å; Y98-Q364 WeakPolarHBondContact CE2-O 3.32Å; Y98-Q364 PolarHBondContact OH-O 2.98Å
99G98.4Very high97.4Very high7 Ų79.4 Ų9.47%0.0725%0.052CC..  trans83.9168.1-175.200000113.5L96 F108L96-G99 PolarHBondContact O-N 3.41Å; G99-F108 CarbonylContact C-O 3.43Å; G99-F108 WeakPolarHBondContact CA-O 3.26Å
100G98Very high97.5Very high1 Ų19.4 Ų9.41%0.015%0.052CC..EExtended strand (participates in β ladder)trans165.6169.8-178.600000112.2V102 F107 F108G100-V102 PolarHBondContact O-N 2.82Å; G100-F107 VanDerWaalsContact CA-CE2 3.43Å; G100-F108 PolarHBondContact N-O 2.86Å; G100-F108 PolarHBondContact O-N 3.18Å
101W98.1Very high97.6Very high6 Ų610.5 Ų10.52%0.0236%0.057CC..EExtended strand (participates in β ladder)trans-70.1124.8173.8-59.3107000110.1L79 I106 F107 L276 I333 P334 F338 Q353L79-W101 HydrophobicContact CD1-CH2 3.53Å; L79-W101 HydrophobicContact CD1-CZ3 3.5Å; L79-W101 VanDerWaalsContact CD1-CZ3 3.5Å; W101-I106 WeakPolarHBondContact CA-O 3.46Å; W101-F107 HydrophobicContact CD2-CB 4.5Å; W101-F107 AromaticContact CD2-CD2 3.66Å; W101-F107 HydrophobicContact CD2-CD2 3.66Å; W101-F107 HydrophobicContact CD2-CE2 4.47Å; W101-F107 AromaticContact CE2-CD2 3.76Å; W101-F107 HydrophobicContact CE3-CB 3.84Å; W101-F107 AromaticContact CE3-CD2 3.87Å; W101-F107 HydrophobicContact CE3-CD2 3.87Å; W101-F107 HydrophobicContact CE3-CG 4.37Å; W101-F107 HydrophobicContact CG-CD2 4.1Å; W101-F107 HydrophobicContact CH2-CB 4.29Å; W101-F107 HydrophobicContact CH2-CD2 4.21Å; W101-F107 HydrophobicContact CZ2-CD2 4.04Å; W101-F107 HydrophobicContact CZ3-CB 3.71Å; W101-F107 HydrophobicContact CZ3-CD2 4.14Å; W101-F107 HydrophobicContact CZ3-CG 4.42Å; W101-L276 HydrophobicContact CH2-CB 4.47Å; W101-L276 HydrophobicContact CH2-CD2 3.89Å; W101-L276 HydrophobicContact CZ2-CD2 4.12Å; W101-I333 HydrophobicContact CZ2-CB 4.45Å; W101-I333 HydrophobicContact CZ2-CG2 4.07Å; W101-I333 WeakPolarHBondContact CZ2-O 3.26Å; W101-P334 PolarHBondContact NE1-O 3.46Å; W101-F338 HydrophobicContact CB-CB 3.76Å; W101-F338 HydrophobicContact CB-CD2 4.13Å; W101-F338 HydrophobicContact CB-CG 4.34Å; W101-F338 HydrophobicContact CG-CB 4.41Å; W101-F338 WeakPolarHBondContact O-CD2 3.23Å; W101-Q353 PolarHBondContact O-NE2 3.14Å
102V97.2Very high97.7Very high0 Ų010 Ų100%06%0.055CC..EExtended strand (participates in β ladder)trans-96.4-18.6172.7-63.40000112.1F66 F82 Y92 L93 L96 G100 I106 F108 F338F66-V102 HydrophobicContact CE2-CB 4.41Å; F66-V102 HydrophobicContact CE2-CG2 3.81Å; F66-V102 HydrophobicContact CZ-CB 3.86Å; F66-V102 HydrophobicContact CZ-CG2 3.77Å; F66-V102 WeakPolarHBondContact CZ-O 3.39Å; F82-V102 HydrophobicContact CE1-CG1 4.31Å; F82-V102 HydrophobicContact CE1-CG2 3.58Å; F82-V102 HydrophobicContact CZ-CG1 4.11Å; F82-V102 HydrophobicContact CZ-CG2 3.96Å; Y92-V102 HydrophobicContact CE1-CB 3.72Å; Y92-V102 HydrophobicContact CE1-CG1 3.97Å; Y92-V102 VanDerWaalsContact OH-CA 3.27Å; Y92-V102 WeakPolarHBondContact OH-CA 3.37Å; Y92-V102 PolarHBondContact OH-O 2.82Å; L93-V102 HydrophobicContact CD2-CG1 4.19Å; L96-V102 HydrophobicContact CD1-CG1 3.73Å; G100-V102 PolarHBondContact O-N 2.82Å; V102-I106 HydrophobicContact CG2-CB 4.01Å; V102-I106 HydrophobicContact CG2-CG2 3.62Å; V102-I106 WeakPolarHBondContact CG2-O 3.47Å; V102-I106 PolarHBondContact N-O 3.2Å; V102-F108 HydrophobicContact CG1-CB 3.67Å; V102-F338 WeakPolarHBondContact O-CE2 3.35Å
103A96.8Very high97.9Very high0 Ų010 Ų100%05%0.054CC..EExtended strand (participates in β ladder)trans-160.5165.2171.500000107.2F66 N105 I106F66-A103 HydrophobicContact CE2-CB 4.17Å; F66-A103 HydrophobicContact CZ-CB 4.2Å; A103-N105 PolarHBondContact O-N 3.01Å; A103-N105 VanDerWaalsContact O-N 3.12Å; A103-I106 HydrophobicContact CB-CB 4.25Å; A103-I106 HydrophobicContact CB-CD1 4.07Å; A103-I106 HydrophobicContact CB-CG1 4.27Å; A103-I106 PolarHBondContact O-N 3.39Å
104P95.8Very high97.9Very high47 Ų479.2 Ų9.231%0.3055%0.051SC..THydrogen-bonded Turntrans-55.5124.3175.3-24.736.2000110.4Y69 I106 N335 F338Y69-P104 WeakPolarHBondContact O-CD 3.36Å; P104-I106 VanDerWaalsContact C-N 3.27Å; P104-I106 PolarHBondContact O-N 3.36Å; P104-N335 VanDerWaalsContact CA-OD1 3.29Å; P104-N335 WeakPolarHBondContact CA-OD1 3.49Å; P104-N335 WeakPolarHBondContact CB-OD1 3.41Å; P104-F338 HydrophobicContact CG-CD1 3.74Å; P104-F338 HydrophobicContact CG-CE1 4.09Å
105N96.4Very high98Very high43 Ų438.7 Ų8.723%0.235%0.049CC..THydrogen-bonded Turntrans70.415.3178.3-151.635000114.7A76 V78 L79 T80 A103 N335A76-N105 HydrophobicContact CB-CB 4.13Å; A76-N105 PolarHBondContact O-ND2 3.38Å; A76-N105 VanDerWaalsContact O-ND2 3.08Å; V78-N105 PolarHBondContact O-ND2 2.97Å; L79-N105 VanDerWaalsContact CA-OD1 3.29Å; L79-N105 WeakPolarHBondContact CA-OD1 3.49Å; L79-N105 WeakPolarHBondContact CB-OD1 3.4Å; L79-N105 WeakPolarHBondContact CD1-OD1 3.37Å; L79-N105 PolarHBondContact N-ND2 3.45Å; T80-N105 PolarHBondContact N-O 3.26Å; A103-N105 PolarHBondContact O-N 3.01Å; A103-N105 VanDerWaalsContact O-N 3.12Å; N105-N335 VanDerWaalsContact CA-ND2 3.29Å; N105-N335 WeakPolarHBondContact CA-ND2 3.25Å; N105-N335 PolarHBondContact N-ND2 3.19Å; N105-N335 PolarHBondContact N-OD1 3.3Å
106I98.4Very high98Very high0 Ų09.7 Ų9.70%05%0.054CC..EExtended strand (participates in β ladder)trans-125.8112.7173.3-49.6-176.6000109.2L15 F42 F66 Y69 A76 T80 F82 W101 V102 A103 P104L15-I106 HydrophobicContact CD1-CD1 4.45Å; F42-I106 HydrophobicContact CE1-CG2 4.01Å; F42-I106 HydrophobicContact CE2-CG2 4.38Å; F42-I106 HydrophobicContact CZ-CD1 4.37Å; F42-I106 HydrophobicContact CZ-CG2 3.57Å; F66-I106 HydrophobicContact CE2-CD1 4.41Å; Y69-I106 HydrophobicContact CD1-CD1 4.36Å; Y69-I106 HydrophobicContact CG-CD1 4.23Å; A76-I106 HydrophobicContact CB-CD1 4.05Å; A76-I106 HydrophobicContact CB-CG1 3.68Å; T80-I106 HydrophobicContact CG2-CG2 4.38Å; T80-I106 CarbonylContact O-C 3.56Å; T80-I106 WeakPolarHBondContact O-CA 3.36Å; F82-I106 HydrophobicContact CD1-CG2 4.08Å; F82-I106 HydrophobicContact CE1-CG2 3.97Å; W101-I106 WeakPolarHBondContact CA-O 3.46Å; V102-I106 HydrophobicContact CG2-CB 4.01Å; V102-I106 HydrophobicContact CG2-CG2 3.62Å; V102-I106 WeakPolarHBondContact CG2-O 3.47Å; V102-I106 PolarHBondContact N-O 3.2Å; A103-I106 HydrophobicContact CB-CB 4.25Å; A103-I106 HydrophobicContact CB-CD1 4.07Å; A103-I106 HydrophobicContact CB-CG1 4.27Å; A103-I106 PolarHBondContact O-N 3.39Å; P104-I106 VanDerWaalsContact C-N 3.27Å; P104-I106 PolarHBondContact O-N 3.36Å
107F98.7Very high98Very high0 Ų09.8 Ų9.80%06%0.055CC..EExtended strand (participates in β ladder)trans-111.9122-175.3-165.7-88.7000111.5T80 L81 F82 G100 W101 L115 L276 I333T80-F107 PolarHBondContact O-N 2.95Å; L81-F107 WeakPolarHBondContact CA-O 3.44Å; L81-F107 HydrophobicContact CD2-CB 3.69Å; L81-F107 HydrophobicContact CD2-CD1 4.29Å; L81-F107 HydrophobicContact CD2-CG 4.32Å; F82-F107 VanDerWaalsContact CD1-O 3.31Å; F82-F107 WeakPolarHBondContact CD1-O 3.5Å; F82-F107 PolarHBondContact N-O 3.34Å; G100-F107 VanDerWaalsContact CA-CE2 3.43Å; W101-F107 HydrophobicContact CD2-CB 4.5Å; W101-F107 AromaticContact CD2-CD2 3.66Å; W101-F107 HydrophobicContact CD2-CD2 3.66Å; W101-F107 HydrophobicContact CD2-CE2 4.47Å; W101-F107 AromaticContact CE2-CD2 3.76Å; W101-F107 HydrophobicContact CE3-CB 3.84Å; W101-F107 AromaticContact CE3-CD2 3.87Å; W101-F107 HydrophobicContact CE3-CD2 3.87Å; W101-F107 HydrophobicContact CE3-CG 4.37Å; W101-F107 HydrophobicContact CG-CD2 4.1Å; W101-F107 HydrophobicContact CH2-CB 4.29Å; W101-F107 HydrophobicContact CH2-CD2 4.21Å; W101-F107 HydrophobicContact CZ2-CD2 4.04Å; W101-F107 HydrophobicContact CZ3-CB 3.71Å; W101-F107 HydrophobicContact CZ3-CD2 4.14Å; W101-F107 HydrophobicContact CZ3-CG 4.42Å; F107-L115 HydrophobicContact CD1-CD1 3.74Å; F107-L115 HydrophobicContact CE1-CD1 3.56Å; F107-L115 HydrophobicContact CE1-CD2 4.3Å; F107-L276 HydrophobicContact CB-CD2 3.93Å; F107-L276 HydrophobicContact CD1-CD2 3.97Å; F107-L276 HydrophobicContact CD2-CD2 3.69Å; F107-L276 HydrophobicContact CE1-CD2 4.43Å; F107-L276 HydrophobicContact CE2-CD2 4.18Å; F107-L276 HydrophobicContact CG-CD2 3.58Å; F107-I333 HydrophobicContact CD2-CG2 4.49Å; F107-I333 HydrophobicContact CE2-CD1 4.28Å; F107-I333 HydrophobicContact CE2-CG2 3.83Å; F107-I333 HydrophobicContact CZ-CD1 4.15Å
108F98.8Very high97.8Very high8 Ų89.7 Ų9.74%0.0356%0.055CC..EExtended strand (participates in β ladder)trans-81.8130.7169175.4-135.6000109.6F82 L93 L96 G99 G100 V102 G110F82-F108 HydrophobicContact CD1-CB 4.39Å; F82-F108 AromaticContact CD2-CD2 3.98Å; F82-F108 HydrophobicContact CD2-CD2 3.98Å; F82-F108 VanDerWaalsContact CE1-CA 3.45Å; F82-F108 HydrophobicContact CE1-CB 3.57Å; F82-F108 HydrophobicContact CE1-CD2 4.36Å; F82-F108 HydrophobicContact CE1-CG 4.39Å; F82-F108 HydrophobicContact CE2-CB 4.16Å; F82-F108 AromaticContact CE2-CD2 3.51Å; F82-F108 HydrophobicContact CE2-CD2 3.51Å; F82-F108 HydrophobicContact CE2-CE2 4.28Å; F82-F108 HydrophobicContact CE2-CG 4.11Å; F82-F108 HydrophobicContact CZ-CB 3.46Å; F82-F108 VanDerWaalsContact CZ-CB 3.46Å; F82-F108 AromaticContact CZ-CD2 3.75Å; F82-F108 HydrophobicContact CZ-CD2 3.75Å; F82-F108 AromaticContact CZ-CG 3.86Å; F82-F108 HydrophobicContact CZ-CG 3.86Å; L93-F108 HydrophobicContact CB-CD1 4.34Å; L93-F108 HydrophobicContact CB-CE1 3.75Å; L93-F108 HydrophobicContact CB-CZ 4Å; L93-F108 HydrophobicContact CD1-CD2 4.44Å; L93-F108 HydrophobicContact CD1-CE1 4.45Å; L93-F108 HydrophobicContact CD1-CE2 4.06Å; L93-F108 HydrophobicContact CD1-CZ 4.05Å; L93-F108 HydrophobicContact CD2-CB 4.4Å; L93-F108 HydrophobicContact CD2-CD1 3.79Å; L93-F108 HydrophobicContact CD2-CD2 4.22Å; L93-F108 HydrophobicContact CD2-CE1 4.04Å; L93-F108 HydrophobicContact CD2-CE2 4.48Å; L93-F108 HydrophobicContact CD2-CG 3.88Å; L93-F108 HydrophobicContact CD2-CZ 4.39Å; L93-F108 HydrophobicContact CG-CE1 4.29Å; L93-F108 HydrophobicContact CG-CZ 4.38Å; L96-F108 HydrophobicContact CB-CD1 3.86Å; L96-F108 HydrophobicContact CB-CE1 4.3Å; L96-F108 WeakPolarHBondContact O-CE1 3.48Å; G99-F108 CarbonylContact C-O 3.43Å; G99-F108 WeakPolarHBondContact CA-O 3.26Å; G100-F108 PolarHBondContact N-O 2.86Å; G100-F108 PolarHBondContact O-N 3.18Å; V102-F108 HydrophobicContact CG1-CB 3.67Å; F108-G110 VanDerWaalsContact CZ-CA 3.44Å; F108-G110 WeakPolarHBondContact CZ-O 3.35Å; F108-G110 PolarHBondContact O-N 3.49Å
109M98.8Very high97.5Very high1 Ų19.5 Ų9.51%0.0056%0.057CC..  trans-73.6-10.3179.7-64.4-173.776.600113.5F82 V83 N113 L115 I122F82-M109 WeakPolarHBondContact O-CG 3.38Å; F82-M109 PolarHBondContact O-N 3.36Å; V83-M109 HydrophobicContact CG1-CB 4.3Å; V83-M109 HydrophobicContact CG1-CG 4.48Å; V83-M109 HydrophobicContact CG1-SD 3.84Å; M109-N113 HydrophobicContact CB-CB 4.13Å; M109-N113 HydrophobicContact CE-CB 4.1Å; M109-N113 VanDerWaalsContact O-CB 3.24Å; M109-N113 WeakPolarHBondContact O-CB 3.41Å; M109-N113 PolarHBondContact O-ND2 3.01Å; M109-L115 HydrophobicContact CE-CD1 4.15Å; M109-L115 HydrophobicContact CE-CG 4.47Å; M109-L115 HydrophobicContact CG-CD1 4.16Å; M109-I122 HydrophobicContact CE-CG2 4.18Å
110G98.7Very high97.4Very high0 Ų09.2 Ų9.20%05%0.054CC..  trans83.3-162.8-175.500000112.1L96 F108 S126L96-G110 VanDerWaalsContact O-CA 3.32Å; L96-G110 WeakPolarHBondContact O-CA 3.29Å; F108-G110 VanDerWaalsContact CZ-CA 3.44Å; F108-G110 WeakPolarHBondContact CZ-O 3.35Å; F108-G110 PolarHBondContact O-N 3.49Å; G110-S126 VanDerWaalsContact O-CB 3.23Å; G110-S126 WeakPolarHBondContact O-CB 3.05Å; G110-S126 PolarHBondContact O-OG 3.36Å
111K98.7Very high97.4Very high30 Ų309.9 Ų9.913%0.136%0.056CC..SBendtrans-66.6-41178.5-66.2-179.9175.2-76.60111.4P97 S126 H138 V152 E159 L366P97-K111 HydrophobicContact CB-CD 4.22Å; P97-K111 HydrophobicContact CB-CG 4.42Å; P97-K111 PolarHBondContact O-N 3.46Å; K111-S126 PolarHBondContact O-N 2.92Å; K111-H138 VanDerWaalsContact CD-CE1 3.41Å; K111-H138 WeakPolarHBondContact CD-CE1 3.43Å; K111-H138 WeakPolarHBondContact CD-NE2 3.37Å; K111-H138 VanDerWaalsContact CE-CE1 3.47Å; K111-H138 WeakPolarHBondContact CE-CE1 3.13Å; K111-H138 WeakPolarHBondContact CE-ND1 3.38Å; K111-H138 PolarHBondContact NZ-CE1 3.09Å; K111-H138 PolarHBondContact NZ-ND1 2.88Å; K111-V152 PolarHBondContact NZ-O 3.05Å; K111-E159 HydrophobicContact CB-CG 3.8Å; K111-L366 HydrophobicContact CD-CD2 4.47Å
112A98.9Very high97.4Very high5 Ų59.6 Ų9.64%0.0416%0.055CC..EExtended strand (participates in β ladder)trans-153.1154.3166.300000110G124 L125 E159 L163 W282A112-G124 CarbonylContact C-O 3.56Å; A112-G124 WeakPolarHBondContact CA-O 3.26Å; A112-G124 WeakPolarHBondContact CB-O 3.31Å; A112-L125 HydrophobicContact CB-CD1 4.13Å; A112-E159 HydrophobicContact CB-CB 3.82Å; A112-E159 HydrophobicContact CB-CG 3.86Å; A112-L163 HydrophobicContact CB-CD1 3.92Å; A112-L163 HydrophobicContact CB-CG 4.22Å; A112-W282 HydrophobicContact CB-CH2 4.01Å; A112-W282 HydrophobicContact CB-CZ2 4.19Å; A112-W282 WeakPolarHBondContact O-CZ2 3.38Å
113N98.8Very high97.5Very high2 Ų29.6 Ų9.61%0.0116%0.055CC..EExtended strand (participates in β ladder)trans-155.5165.6177.1-132.3-46.4000113.3Y98 M109 L115 G123 G124 W282Y98-N113 PolarHBondContact O-ND2 2.77Å; M109-N113 HydrophobicContact CB-CB 4.13Å; M109-N113 HydrophobicContact CE-CB 4.1Å; M109-N113 VanDerWaalsContact O-CB 3.24Å; M109-N113 WeakPolarHBondContact O-CB 3.41Å; M109-N113 PolarHBondContact O-ND2 3.01Å; N113-L115 HydrophobicContact CB-CG 4.42Å; N113-G123 CarbonylContact O-C 3.47Å; N113-G123 WeakPolarHBondContact O-CA 3.47Å; N113-G124 PolarHBondContact N-O 2.94Å; N113-G124 PolarHBondContact O-N 3.49Å; N113-W282 PolarHBondContact OD1-NE1 3.29Å
114V98.9Very high97.6Very high0 Ų09.6 Ų9.60%06%0.055CC..EExtended strand (participates in β ladder)trans-131.4126156.3-171.20000108.7R121 I122 L163 L166 L170 D279 W282V114-R121 HydrophobicContact CG1-CG 3.81Å; V114-I122 VanDerWaalsContact CA-O 3.31Å; V114-I122 WeakPolarHBondContact CA-O 3.5Å; V114-L163 HydrophobicContact CG2-CD2 4.31Å; V114-L166 HydrophobicContact CG2-CD1 3.71Å; V114-L166 HydrophobicContact CG2-CD2 3.88Å; V114-L166 HydrophobicContact CG2-CG 4.44Å; V114-L170 HydrophobicContact CG1-CD2 3.72Å; V114-D279 HydrophobicContact CB-CB 3.92Å; V114-D279 HydrophobicContact CG1-CB 3.83Å; V114-D279 WeakPolarHBondContact O-CB 3.42Å; V114-D279 PolarHBondContact O-N 3.43Å; V114-W282 HydrophobicContact CB-CB 3.79Å; V114-W282 HydrophobicContact CB-CD2 4.4Å; V114-W282 HydrophobicContact CB-CG 4Å; V114-W282 HydrophobicContact CG2-CB 4.09Å; V114-W282 HydrophobicContact CG2-CD2 4.01Å; V114-W282 HydrophobicContact CG2-CE3 3.86Å; V114-W282 HydrophobicContact CG2-CG 4.12Å
115L98.5Very high97.7Very high0 Ų07.6 Ų7.60%04%0.041CC..EExtended strand (participates in β ladder)trans-125.1155.3-178.4-61.2170.2000110F107 M109 N113 I122 L276 Y278 I333F107-L115 HydrophobicContact CD1-CD1 3.74Å; F107-L115 HydrophobicContact CE1-CD1 3.56Å; F107-L115 HydrophobicContact CE1-CD2 4.3Å; M109-L115 HydrophobicContact CE-CD1 4.15Å; M109-L115 HydrophobicContact CE-CG 4.47Å; M109-L115 HydrophobicContact CG-CD1 4.16Å; N113-L115 HydrophobicContact CB-CG 4.42Å; L115-I122 PolarHBondContact N-O 2.85Å; L115-I122 PolarHBondContact O-N 2.99Å; L115-L276 HydrophobicContact CB-CD1 4.07Å; L115-L276 HydrophobicContact CD1-CD1 4.19Å; L115-L276 HydrophobicContact CD1-CD2 4.41Å; L115-Y278 HydrophobicContact CD2-CD1 4.23Å; L115-I333 HydrophobicContact CD2-CD1 3.79Å
116N97Very high97.9Very high34 Ų346.2 Ų6.218%0.1824%0.035CC..EExtended strand (participates in β ladder)trans-113.3134.5173.1-68.7-72.8000110.1L120 R121 S277 D279N116-L120 WeakPolarHBondContact CA-O 3.45Å; N116-R121 WeakPolarHBondContact OD1-CG 3.31Å; N116-S277 WeakPolarHBondContact CB-OG 3.3Å; N116-S277 PolarHBondContact N-O 2.98Å; N116-S277 PolarHBondContact O-N 3.27Å; N116-S277 PolarHBondContact O-OG 2.79Å; N116-D279 WeakPolarHBondContact ND2-CA 3.26Å; N116-D279 WeakPolarHBondContact ND2-CB 3.25Å; N116-D279 PolarHBondContact ND2-OD2 3.04Å
117F96.3Very high97.9Very high3 Ų36.4 Ų6.41%0.0134%0.037CC..EExtended strand (participates in β ladder)trans-143.5117.5174.2177.2-95.8000110.4L3 D34 L35 L79 G119 L120 I122 R274 L276L3-F117 HydrophobicContact CD1-CD1 3.99Å; L3-F117 HydrophobicContact CD1-CE1 4.09Å; D34-F117 HydrophobicContact CB-CE1 4.03Å; D34-F117 HydrophobicContact CB-CZ 4.43Å; D34-F117 WeakPolarHBondContact O-CZ 3.48Å; L35-F117 HydrophobicContact CB-CD1 4.06Å; L35-F117 HydrophobicContact CB-CE1 3.76Å; L35-F117 HydrophobicContact CB-CZ 4.42Å; L35-F117 HydrophobicContact CD1-CD1 4.21Å; L35-F117 HydrophobicContact CD1-CE1 4.32Å; L35-F117 HydrophobicContact CD1-CG 4.32Å; L35-F117 HydrophobicContact CD2-CD1 3.89Å; L35-F117 HydrophobicContact CD2-CE1 4.46Å; L35-F117 HydrophobicContact CD2-CG 4.37Å; L35-F117 HydrophobicContact CG-CD1 4.28Å; L35-F117 HydrophobicContact CG-CE1 4.4Å; L79-F117 HydrophobicContact CD2-CD2 3.49Å; L79-F117 VanDerWaalsContact CD2-CD2 3.49Å; L79-F117 HydrophobicContact CD2-CE2 3.41Å; L79-F117 VanDerWaalsContact CD2-CE2 3.41Å; L79-F117 HydrophobicContact CD2-CG 4.44Å; L79-F117 HydrophobicContact CD2-CZ 4.31Å; F117-G119 PolarHBondContact O-N 3.26Å; F117-L120 PolarHBondContact N-O 2.86Å; F117-L120 WeakPolarHBondContact O-CB 3.33Å; F117-L120 PolarHBondContact O-N 2.86Å; F117-I122 HydrophobicContact CB-CD1 4.34Å; F117-R274 HydrophobicContact CE2-CB 4.22Å; F117-R274 VanDerWaalsContact CE2-O 3.3Å; F117-R274 WeakPolarHBondContact CE2-O 3.33Å; F117-R274 HydrophobicContact CZ-CB 4.11Å; F117-L276 HydrophobicContact CB-CD1 4.29Å
118G94Very high97.9Very high5 Ų56.5 Ų6.55%0.0524%0.038CC..THydrogen-bonded Turntrans56.325.7177.600000114.8T267 E273G118-T267 WeakPolarHBondContact O-CG2 3.36Å; G118-E273 WeakPolarHBondContact CA-O 3.45Å
119G93.1Very high97.8Very high8 Ų87.9 Ų7.98%0.0824%0.043CC..THydrogen-bonded Turntrans84.42.4-174.800000115.5F117 S268F117-G119 PolarHBondContact O-N 3.26Å; G119-S268 PolarHBondContact O-OG 2.93Å
120L95.9Very high97.7Very high1 Ų110.1 Ų10.11%0.0055%0.053CC..EExtended strand (participates in β ladder)trans-82.4130.6162.2-69177000109.6L3 V5 N116 F117 I122 D171 L265 T267L3-L120 HydrophobicContact CB-CD1 4.41Å; L3-L120 HydrophobicContact CD1-CD1 3.68Å; L3-L120 HydrophobicContact CD1-CG 3.79Å; V5-L120 HydrophobicContact CG2-CD1 4.05Å; N116-L120 WeakPolarHBondContact CA-O 3.45Å; F117-L120 PolarHBondContact N-O 2.86Å; F117-L120 WeakPolarHBondContact O-CB 3.33Å; F117-L120 PolarHBondContact O-N 2.86Å; L120-I122 HydrophobicContact CB-CD1 4.24Å; L120-I122 HydrophobicContact CB-CG1 4.03Å; L120-D171 HydrophobicContact CD2-CB 3.87Å; L120-L265 HydrophobicContact CD1-CB 4.25Å; L120-L265 HydrophobicContact CD1-CD1 4.03Å; L120-L265 HydrophobicContact CD2-CB 4.09Å; L120-T267 HydrophobicContact CD2-CG2 4.1Å; L120-T267 HydrophobicContact CG-CG2 4.05Å
121R97.6Very high97.5Very high14 Ų1413.9 Ų13.95%0.0538%0.079CC..EExtended strand (participates in β ladder)trans-100116.2170-164.1174.4179-117.6-1110.5V114 N116 K168 P169 L170 D171 V172 D279 E281V114-R121 HydrophobicContact CG1-CG 3.81Å; N116-R121 WeakPolarHBondContact OD1-CG 3.31Å; R121-K168 VanDerWaalsContact NH1-C 3.29Å; R121-K168 PolarHBondContact NH1-O 3.13Å; R121-P169 WeakPolarHBondContact CD-O 3.31Å; R121-P169 PolarHBondContact NH1-O 3.36Å; R121-L170 HydrophobicContact CB-CD2 4.44Å; R121-L170 HydrophobicContact CG-CD2 3.77Å; R121-D171 PolarHBondContact N-OD2 2.93Å; R121-D171 PolarHBondContact O-N 3.25Å; R121-V172 PolarHBondContact O-N 2.97Å; R121-V172 VanDerWaalsContact O-N 3.16Å; R121-D279 IonicContact CZ-OD1 3.38Å; R121-D279 IonicContact CZ-OD2 3.32Å; R121-D279 IonicContact NE-OD1 3.5Å; R121-D279 IonicContact NE-OD2 2.84Å; R121-D279 PolarHBondContact NE-OD2 3.42Å; R121-D279 IonicContact NH2-OD1 3.96Å; R121-D279 PolarHBondContact NH2-OD1 2.93Å; R121-D279 IonicContact NH2-OD2 3.98Å; R121-D279 PolarHBondContact NH2-OD2 2.96Å; R121-E281 IonicContact CZ-OE2 3.73Å; R121-E281 IonicContact NH1-OE2 2.91Å; R121-E281 IonicContact NH2-OE2 3.67Å; R121-E281 PolarHBondContact NH2-OE2 2.82Å
122I98.7Very high97.4Very high0 Ų019 Ų190%010%0.098CC..EExtended strand (participates in β ladder)trans-118.9110.5-165.1-52.3172.2000109.3L35 L81 M109 V114 L115 F117 L120 V172 V174L35-I122 HydrophobicContact CD2-CD1 3.63Å; L81-I122 HydrophobicContact CD1-CD1 3.91Å; M109-I122 HydrophobicContact CE-CG2 4.18Å; V114-I122 VanDerWaalsContact CA-O 3.31Å; V114-I122 WeakPolarHBondContact CA-O 3.5Å; L115-I122 PolarHBondContact N-O 2.85Å; L115-I122 PolarHBondContact O-N 2.99Å; F117-I122 HydrophobicContact CB-CD1 4.34Å; L120-I122 HydrophobicContact CB-CD1 4.24Å; L120-I122 HydrophobicContact CB-CG1 4.03Å; I122-V172 CarbonylContact C-O 3.55Å; I122-V172 WeakPolarHBondContact CA-O 3.47Å; I122-V172 HydrophobicContact CG1-CB 4.28Å; I122-V172 HydrophobicContact CG2-CB 4.24Å; I122-V172 HydrophobicContact CG2-CG1 4.23Å; I122-V174 HydrophobicContact CG2-CG2 4.06Å
123G98.9Very high97.3Very high0 Ų019.1 Ų19.10%010%0.098CC..EExtended strand (participates in β ladder)trans-85.1148.2169.100000111.6N113 V172 F173 V174N113-G123 CarbonylContact O-C 3.47Å; N113-G123 WeakPolarHBondContact O-CA 3.47Å; G123-V172 PolarHBondContact N-O 2.98Å; G123-F173 CarbonylContact O-C 3.6Å; G123-F173 WeakPolarHBondContact O-CA 3.24Å; G123-V174 PolarHBondContact O-N 3.47Å
124G98.9Very high97.2Very high0 Ų020.4 Ų20.40%010%0.103CC..EExtended strand (participates in β ladder)trans-141.1140.7178.300000112.5A112 N113 V174A112-G124 CarbonylContact C-O 3.56Å; A112-G124 WeakPolarHBondContact CA-O 3.26Å; A112-G124 WeakPolarHBondContact CB-O 3.31Å; N113-G124 PolarHBondContact N-O 2.94Å; N113-G124 PolarHBondContact O-N 3.49Å; G124-V174 CarbonylContact C-O 3.56Å; G124-V174 VanDerWaalsContact CA-O 3.28Å; G124-V174 WeakPolarHBondContact CA-O 3.46Å
125L98.9Very high97.1Very high6 Ų622.6 Ų22.63%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-133.5116171-179.365.5000109.9A112 V155 E159 L163 F173 V174 S175 L215A112-L125 HydrophobicContact CB-CD1 4.13Å; L125-V155 HydrophobicContact CD1-CG1 4.26Å; L125-V155 HydrophobicContact CD1-CG2 4.35Å; L125-V155 HydrophobicContact CD2-CG1 4.29Å; L125-V155 HydrophobicContact CD2-CG2 4.21Å; L125-V155 HydrophobicContact CG-CG2 4.22Å; L125-E159 HydrophobicContact CD1-CB 4.19Å; L125-L163 HydrophobicContact CB-CD1 4.22Å; L125-L163 HydrophobicContact CD1-CD1 4.1Å; L125-F173 HydrophobicContact CB-CE1 3.97Å; L125-F173 HydrophobicContact CB-CZ 3.96Å; L125-V174 PolarHBondContact N-O 3.38Å; L125-S175 WeakPolarHBondContact O-CA 3.42Å; L125-L215 HydrophobicContact CD2-CD1 3.88Å
126S98.9Very high96.9Very high14 Ų1426.7 Ų26.710%0.09813%0.13CC..  trans-86.1148.7177.4-63.20000111.4V83 G84 G110 K111V83-S126 WeakPolarHBondContact CA-OG 3.47Å; G84-S126 PolarHBondContact N-OG 2.87Å; G84-S126 CarbonylContact O-C 3.55Å; G84-S126 WeakPolarHBondContact O-CA 3.45Å; G110-S126 VanDerWaalsContact O-CB 3.23Å; G110-S126 WeakPolarHBondContact O-CB 3.05Å; G110-S126 PolarHBondContact O-OG 3.36Å; K111-S126 PolarHBondContact O-N 2.92Å
127G98.6Very high96.9Very high4 Ų425.2 Ų25.24%0.04112%0.123CC..SBendtrans99.4-173.3170.800000115.5G84 Y153G84-G127 PolarHBondContact O-N 3.42Å; G127-Y153 WeakPolarHBondContact CA-O 3.48Å
128I98.3Very high96.9Very high2 Ų225.3 Ų25.31%0.0112%0.123CC..BIsolated β-bridgetrans-119156.1177.468.3173.4000111N86 Y153 H154 V155 D177N86-I128 HydrophobicContact CB-CD1 4.15Å; N86-I128 HydrophobicContact CB-CG2 4.13Å; I128-Y153 HydrophobicContact CD1-CD2 4.4Å; I128-Y153 HydrophobicContact CD1-CE2 3.73Å; I128-Y153 HydrophobicContact CG1-CD2 3.93Å; I128-Y153 HydrophobicContact CG1-CE2 3.75Å; I128-Y153 PolarHBondContact N-O 3.43Å; I128-H154 CarbonylContact O-C 3.49Å; I128-H154 WeakPolarHBondContact O-CA 3.43Å; I128-V155 PolarHBondContact O-N 3.42Å; I128-D177 HydrophobicContact CG2-CB 4.36Å
129Y98Very high97.1Very high37 Ų3727 Ų2715%0.14513%0.129CC..  trans-85.6125.8178.2174.9-113.9000112.1Y134 D177 L210 P211Y129-Y134 HydrophobicContact CD2-CD2 4Å; Y129-Y134 HydrophobicContact CD2-CG 4.3Å; Y129-Y134 HydrophobicContact CE2-CD1 4.14Å; Y129-Y134 AromaticContact CE2-CD2 3.77Å; Y129-Y134 HydrophobicContact CE2-CD2 3.77Å; Y129-Y134 HydrophobicContact CE2-CE2 4.37Å; Y129-Y134 AromaticContact CE2-CG 3.64Å; Y129-Y134 HydrophobicContact CE2-CG 3.64Å; Y129-D177 PolarHBondContact N-OD2 3.2Å; Y129-L210 HydrophobicContact CD1-CB 4.34Å; Y129-L210 HydrophobicContact CE1-CB 3.88Å; Y129-P211 HydrophobicContact CD2-CG 3.45Å; Y129-P211 VanDerWaalsContact CD2-CG 3.45Å; Y129-P211 HydrophobicContact CE2-CG 3.94Å; Y129-P211 HydrophobicContact CG-CG 3.97Å
130K97.1Very high97.3Very high48 Ų4826.7 Ų26.721%0.20913%0.126CC..  trans-133.1115.8165.7-64.8-62.2179.6-169.80109.9Y132 N133 Y134 H154 E389K130-Y132 VanDerWaalsContact C-N 3.26Å; K130-Y132 HydrophobicContact CB-CD1 4.27Å; K130-Y132 HydrophobicContact CB-CE1 3.75Å; K130-Y132 HydrophobicContact CB-CE2 4.17Å; K130-Y132 HydrophobicContact CD-CE1 4.11Å; K130-Y132 HydrophobicContact CG-CE1 4.18Å; K130-Y132 PolarHBondContact O-N 2.84Å; K130-N133 PolarHBondContact O-N 3.33Å; K130-N133 VanDerWaalsContact O-N 3.08Å; K130-Y134 PolarHBondContact O-N 3.03Å; K130-Y134 VanDerWaalsContact O-N 3.1Å; K130-H154 VanDerWaalsContact CG-CE1 3.44Å; K130-H154 WeakPolarHBondContact CG-CE1 3.26Å; K130-H154 WeakPolarHBondContact CG-NE2 3.47Å; K130-E389 IonicContact NZ-OE1 3.73Å; K130-E389 PolarHBondContact NZ-OE1 2.99Å
131S94.9Very high97.2Very high78 Ų7829.6 Ų29.655%0.54514%0.138SC..Hα-helixtrans-54.2-39.1-172.556.60000113.5N133 Y134S131-N133 VanDerWaalsContact C-N 3.27Å; S131-N133 PolarHBondContact O-N 3.2Å; S131-Y134 PolarHBondContact O-N 3.15Å
132Y95.1Very high97Very high138 Ų13829.9 Ų29.954%0.54114%0.142SC..Hα-helixtrans-69.9-17.1-177.755.2-97.6000114.9K130 R136K130-Y132 VanDerWaalsContact C-N 3.26Å; K130-Y132 HydrophobicContact CB-CD1 4.27Å; K130-Y132 HydrophobicContact CB-CE1 3.75Å; K130-Y132 HydrophobicContact CB-CE2 4.17Å; K130-Y132 HydrophobicContact CD-CE1 4.11Å; K130-Y132 HydrophobicContact CG-CE1 4.18Å; K130-Y132 PolarHBondContact O-N 2.84Å; Y132-R136 PolarHBondContact O-NE 2.9Å
133N97Very high96.7Very high7 Ų736 Ų364%0.03718%0.182CC..Hα-helixtrans-107.2-14.3173-74.9-11000113.3K130 S131 L135 R136 S151 H154 R156K130-N133 PolarHBondContact O-N 3.33Å; K130-N133 VanDerWaalsContact O-N 3.08Å; S131-N133 VanDerWaalsContact C-N 3.27Å; S131-N133 PolarHBondContact O-N 3.2Å; N133-L135 VanDerWaalsContact C-N 3.25Å; N133-L135 PolarHBondContact O-N 3.1Å; N133-L135 VanDerWaalsContact O-N 3.16Å; N133-R136 WeakPolarHBondContact O-CB 3.48Å; N133-R136 PolarHBondContact O-N 2.87Å; N133-R136 PolarHBondContact OD1-NE 2.86Å; N133-S151 WeakPolarHBondContact ND2-CB 3.27Å; N133-H154 HydrophobicContact CB-CB 4.19Å; N133-H154 PolarHBondContact ND2-ND1 2.84Å; N133-R156 WeakPolarHBondContact O-CD 3.49Å; N133-R156 PolarHBondContact O-NE 2.97Å
134Y97.1Very high96.5Very high30 Ų3036.9 Ų36.912%0.11819%0.186CC..Hα-helixtrans-55.8-38.9-170.9-177.5-120.2000113.6Y129 K130 S131 V155 R156 S157 V160 P211Y129-Y134 HydrophobicContact CD2-CD2 4Å; Y129-Y134 HydrophobicContact CD2-CG 4.3Å; Y129-Y134 HydrophobicContact CE2-CD1 4.14Å; Y129-Y134 AromaticContact CE2-CD2 3.77Å; Y129-Y134 HydrophobicContact CE2-CD2 3.77Å; Y129-Y134 HydrophobicContact CE2-CE2 4.37Å; Y129-Y134 AromaticContact CE2-CG 3.64Å; Y129-Y134 HydrophobicContact CE2-CG 3.64Å; K130-Y134 PolarHBondContact O-N 3.03Å; K130-Y134 VanDerWaalsContact O-N 3.1Å; S131-Y134 PolarHBondContact O-N 3.15Å; Y134-V155 HydrophobicContact CD2-CG1 4.31Å; Y134-V155 HydrophobicContact CE2-CG1 4.09Å; Y134-R156 CarbonylContact O-C 3.53Å; Y134-R156 WeakPolarHBondContact O-CA 3.44Å; Y134-S157 PolarHBondContact O-N 2.91Å; Y134-S157 PolarHBondContact O-OG 2.96Å; Y134-V160 HydrophobicContact CE2-CB 4.43Å; Y134-V160 HydrophobicContact CE2-CG2 3.88Å; Y134-V160 WeakPolarHBondContact OH-CB 3.46Å; Y134-V160 WeakPolarHBondContact OH-CG1 3.37Å; Y134-P211 HydrophobicContact CD2-CG 4.44Å; Y134-P211 HydrophobicContact CE2-CB 4Å; Y134-P211 HydrophobicContact CE2-CG 3.86Å
135L95.9Very high96.4Very high45 Ų4539.6 Ų39.624%0.23620%0.204CC..THydrogen-bonded Turntrans-94.17.5-178.1-61.2174.1000113.8N133 S299 T300 Q301N133-L135 VanDerWaalsContact C-N 3.25Å; N133-L135 PolarHBondContact O-N 3.1Å; N133-L135 VanDerWaalsContact O-N 3.16Å; L135-S299 WeakPolarHBondContact CB-OG 3.18Å; L135-S299 CarbonylContact O-C 3.46Å; L135-S299 WeakPolarHBondContact O-CA 3.41Å; L135-T300 CarbonylContact O-C 3.47Å; L135-T300 PolarHBondContact O-N 3.28Å; L135-T300 PolarHBondContact O-OG1 3.33Å; L135-Q301 VanDerWaalsContact CD1-NE2 3.32Å
136R96Very high96.2Very high86 Ų8644.1 Ų44.133%0.32523%0.225SC..BIsolated β-bridgetrans-86.3167178.2-61.2-179.2-178.6-151.1-3.2110.7Y132 N133 F139 R156 P297Y132-R136 PolarHBondContact O-NE 2.9Å; N133-R136 WeakPolarHBondContact O-CB 3.48Å; N133-R136 PolarHBondContact O-N 2.87Å; N133-R136 PolarHBondContact OD1-NE 2.86Å; R136-F139 HydrophobicContact CB-CE1 4.36Å; R136-R156 VanDerWaalsContact O-CD 3.29Å; R136-R156 WeakPolarHBondContact O-CD 3.34Å; R136-P297 WeakPolarHBondContact CD-O 3.37Å; R136-P297 WeakPolarHBondContact CG-O 3.49Å
137G96.1Very high96.1Very high4 Ų447.4 Ų47.44%0.04124%0.242CC..  trans-69.9179.9160.400000112.4R156 S294 S296G137-R156 PolarHBondContact O-NE 3.16Å; G137-S294 CarbonylContact C-O 3.33Å; G137-S294 WeakPolarHBondContact CA-O 3.35Å; G137-S296 VanDerWaalsContact CA-O 3.27Å; G137-S296 WeakPolarHBondContact CA-O 3.47Å; G137-S296 PolarHBondContact N-O 3.14Å
138H97.1Very high96.1Very high4 Ų449.3 Ų49.32%0.01925%0.25CC..  trans-91.3111164.3-69.1-73.5000107.7K111 R156 E159 S294 T295 L366 L370K111-H138 VanDerWaalsContact CD-CE1 3.41Å; K111-H138 WeakPolarHBondContact CD-CE1 3.43Å; K111-H138 WeakPolarHBondContact CD-NE2 3.37Å; K111-H138 VanDerWaalsContact CE-CE1 3.47Å; K111-H138 WeakPolarHBondContact CE-CE1 3.13Å; K111-H138 WeakPolarHBondContact CE-ND1 3.38Å; K111-H138 PolarHBondContact NZ-CE1 3.09Å; K111-H138 PolarHBondContact NZ-ND1 2.88Å; H138-R156 WeakPolarHBondContact CE1-CG 3.29Å; H138-R156 WeakPolarHBondContact NE2-CG 3.35Å; H138-E159 IonicContact CE1-OE2 2.72Å; H138-E159 PolarHBondContact CE1-OE2 3.06Å; H138-E159 IonicContact NE2-OE1 2.68Å; H138-E159 PolarHBondContact NE2-OE1 2.91Å; H138-E159 IonicContact NE2-OE2 2.66Å; H138-E159 PolarHBondContact NE2-OE2 2.71Å; H138-S294 PolarHBondContact N-O 3.16Å; H138-T295 WeakPolarHBondContact O-CA 3.43Å; H138-L366 HydrophobicContact CB-CD1 4.03Å; H138-L366 HydrophobicContact CB-CD2 3.79Å; H138-L366 HydrophobicContact CB-CG 4.5Å; H138-L370 WeakPolarHBondContact O-CD2 3.17Å
139F96.6Very high96Very high40 Ų4049.8 Ų49.818%0.17525%0.252CS..  trans-119.2-13.9-173.758.4-91.8000112.5R136 E148 T295 P297R136-F139 HydrophobicContact CB-CE1 4.36Å; F139-E148 HydrophobicContact CE2-CG 4.42Å; F139-T295 WeakPolarHBondContact CB-O 3.48Å; F139-P297 HydrophobicContact CB-CB 4.14Å; F139-P297 VanDerWaalsContact CD1-CA 3.5Å; F139-P297 HydrophobicContact CD1-CB 3.82Å; F139-P297 HydrophobicContact CD2-CB 4.08Å; F139-P297 HydrophobicContact CE1-CB 4.23Å; F139-P297 HydrophobicContact CE2-CB 4.47Å; F139-P297 HydrophobicContact CG-CB 3.73Å
140E97.2Very high96Very high2 Ų253 Ų531%0.00926%0.264CS..  trans-68.2134.5-176.3-58.184.3173.300110.5W94 F144 E148 S151 V152 R156 L370W94-E140 PolarHBondContact NE1-O 2.74Å; E140-F144 HydrophobicContact CB-CD1 4.12Å; E140-F144 HydrophobicContact CB-CE1 3.89Å; E140-E148 HydrophobicContact CB-CB 4.22Å; E140-E148 HydrophobicContact CB-CG 4.35Å; E140-E148 HydrophobicContact CG-CB 4Å; E140-E148 HydrophobicContact CG-CG 4.04Å; E140-S151 VanDerWaalsContact CD-OG 3.29Å; E140-S151 WeakPolarHBondContact CG-OG 3.34Å; E140-S151 WeakPolarHBondContact OE1-CB 3.31Å; E140-S151 PolarHBondContact OE1-OG 3.21Å; E140-V152 HydrophobicContact CB-CB 3.88Å; E140-V152 HydrophobicContact CB-CG2 4.06Å; E140-V152 HydrophobicContact CG-CB 3.97Å; E140-R156 IonicContact OE1-CZ 3.65Å; E140-R156 IonicContact OE1-NH2 3.88Å; E140-R156 PolarHBondContact OE1-NH2 3.11Å; E140-R156 IonicContact OE2-NH2 2.84Å; E140-R156 PolarHBondContact OE2-NH2 2.84Å; E140-L370 WeakPolarHBondContact O-CD1 3.43Å
141K94.8Very high96Very high62 Ų6251 Ų5127%0.2726%0.256SS..  trans-144.5142.7174.669.1-166.1-17981.70111.7W94 P143 F144 L370W94-K141 HydrophobicContact CZ2-CB 4.02Å; K141-P143 CarbonylContact O-C 3.57Å; K141-F144 VanDerWaalsContact C-CD1 3.44Å; K141-F144 WeakPolarHBondContact O-CD1 3.13Å; K141-L370 HydrophobicContact CB-CB 4.32Å; K141-L370 WeakPolarHBondContact CD-O 3.36Å
142P93Very high96.2Very high20 Ų2047.7 Ų47.713%0.1323%0.232CC..SBendtrans-68.6147.9177.123-27.1000112.2N91 W94 F144 A348N91-P142 HydrophobicContact CB-CB 4.34Å; W94-P142 HydrophobicContact CD2-CG 4.28Å; W94-P142 HydrophobicContact CE3-CG 4.02Å; W94-P142 HydrophobicContact CZ3-CG 4.19Å; P142-F144 HydrophobicContact CB-CD2 4.42Å; P142-F144 HydrophobicContact CB-CE2 4.13Å; P142-F144 HydrophobicContact CB-CZ 4.18Å; P142-F144 HydrophobicContact CG-CZ 4.21Å; P142-A348 HydrophobicContact CG-CB 3.87Å
143P93.6Very high96.3Very high129 Ų12942.7 Ų42.784%0.83821%0.213SC*.SBendcis-70.7129.4-5.830.6-34000111.3K141K141-P143 CarbonylContact O-C 3.57Å
144F94.7Very high96.4Very high19 Ų1942.6 Ų42.68%0.08321%0.212CC..PPolyproline II helixtrans-75.6139.6-174.9-59.3-63.1000111.7N91 W94 E140 K141 P142 E148 K149 V152N91-F144 HydrophobicContact CB-CE2 4.02Å; W94-F144 HydrophobicContact CB-CZ 4.11Å; W94-F144 AromaticContact CD1-CZ 3.93Å; W94-F144 HydrophobicContact CG-CZ 4.02Å; E140-F144 HydrophobicContact CB-CD1 4.12Å; E140-F144 HydrophobicContact CB-CE1 3.89Å; K141-F144 VanDerWaalsContact C-CD1 3.44Å; K141-F144 WeakPolarHBondContact O-CD1 3.13Å; P142-F144 HydrophobicContact CB-CD2 4.42Å; P142-F144 HydrophobicContact CB-CE2 4.13Å; P142-F144 HydrophobicContact CB-CZ 4.18Å; P142-F144 HydrophobicContact CG-CZ 4.21Å; F144-E148 WeakPolarHBondContact CA-OE2 3.44Å; F144-E148 HydrophobicContact CB-CB 3.86Å; F144-E148 HydrophobicContact CD1-CB 3.94Å; F144-E148 HydrophobicContact CG-CB 4.32Å; F144-K149 HydrophobicContact CB-CG 3.69Å; F144-K149 HydrophobicContact CG-CG 4.5Å; F144-V152 HydrophobicContact CE1-CB 4.36Å; F144-V152 HydrophobicContact CE1-CG2 4.02Å; F144-V152 HydrophobicContact CZ-CG2 3.93Å
145S96Very high96.5Very high56 Ų5641.4 Ų41.439%0.39221%0.208SC..PPolyproline II helixtrans-63.4166159.276.10000111.2D147 E148 K149S145-D147 PolarHBondContact O-N 2.7Å; S145-D147 PolarHBondContact OG-N 3.04Å; S145-E148 PolarHBondContact N-OE2 3.22Å; S145-E148 PolarHBondContact O-N 3.13Å; S145-E148 VanDerWaalsContact OG-CG 3.3Å; S145-E148 WeakPolarHBondContact OG-CG 3.34Å; S145-E148 PolarHBondContact OG-N 2.89Å; S145-E148 VanDerWaalsContact OG-N 3.14Å; S145-K149 WeakPolarHBondContact O-CG 3.28Å; S145-K149 PolarHBondContact O-N 3.31Å
146E95.1Very high96.5Very high101 Ų10139.3 Ų39.347%0.47220%0.197SC..Hα-helixtrans-59-36.3176.3-70.6-61.4127.800112.4K149 R150E146-K149 WeakPolarHBondContact OE1-CE 3.41Å; E146-K149 IonicContact OE1-NZ 3.36Å; E146-K149 PolarHBondContact OE1-NZ 3.16Å; E146-R150 PolarHBondContact O-NH1 2.83Å
147D96.7Very high96.6Very high84 Ų8435.9 Ų35.945%0.44919%0.186SC..Hα-helixtrans-70.5-40.7176.3-69.9-23.8000111.6S145 K149 R150 S151S145-D147 PolarHBondContact O-N 2.7Å; S145-D147 PolarHBondContact OG-N 3.04Å; D147-K149 VanDerWaalsContact C-N 3.32Å; D147-K149 PolarHBondContact O-N 2.89Å; D147-R150 WeakPolarHBondContact O-CB 3.4Å; D147-R150 PolarHBondContact O-N 2.97Å; D147-S151 PolarHBondContact O-N 3.47Å; D147-S151 PolarHBondContact O-OG 3.34Å
148E97.4Very high96.6Very high43 Ų4336.4 Ų36.420%0.20119%0.188CC..Hα-helixtrans-66.1-33.2178.2-71.7175.1155.300112.7F139 E140 F144 S145 R150 S151 V152F139-E148 HydrophobicContact CE2-CG 4.42Å; E140-E148 HydrophobicContact CB-CB 4.22Å; E140-E148 HydrophobicContact CB-CG 4.35Å; E140-E148 HydrophobicContact CG-CB 4Å; E140-E148 HydrophobicContact CG-CG 4.04Å; F144-E148 WeakPolarHBondContact CA-OE2 3.44Å; F144-E148 HydrophobicContact CB-CB 3.86Å; F144-E148 HydrophobicContact CD1-CB 3.94Å; F144-E148 HydrophobicContact CG-CB 4.32Å; S145-E148 PolarHBondContact N-OE2 3.22Å; S145-E148 PolarHBondContact O-N 3.13Å; S145-E148 VanDerWaalsContact OG-CG 3.3Å; S145-E148 WeakPolarHBondContact OG-CG 3.34Å; S145-E148 PolarHBondContact OG-N 2.89Å; S145-E148 VanDerWaalsContact OG-N 3.14Å; E148-R150 PolarHBondContact O-N 3.41Å; E148-R150 VanDerWaalsContact O-N 3.12Å; E148-S151 WeakPolarHBondContact CA-OG 3.44Å; E148-S151 PolarHBondContact O-N 2.75Å; E148-V152 VanDerWaalsContact O-CB 3.28Å; E148-V152 WeakPolarHBondContact O-CB 2.99Å; E148-V152 VanDerWaalsContact O-CG1 3.28Å; E148-V152 WeakPolarHBondContact O-CG1 3.43Å; E148-V152 PolarHBondContact O-N 2.97Å
149K97Very high96.6Very high12 Ų1236.7 Ų36.75%0.05219%0.189CC..Hα-helixtrans-56.1-29.1172.4-70.5177.1-166.7178.50112.1V52 S53 A55 F144 S145 E146 D147 Y153V52-K149 WeakPolarHBondContact O-CE 3.49Å; V52-K149 PolarHBondContact O-NZ 2.86Å; S53-K149 WeakPolarHBondContact O-CG 3.48Å; A55-K149 HydrophobicContact CB-CB 4.23Å; F144-K149 HydrophobicContact CB-CG 3.69Å; F144-K149 HydrophobicContact CG-CG 4.5Å; S145-K149 WeakPolarHBondContact O-CG 3.28Å; S145-K149 PolarHBondContact O-N 3.31Å; E146-K149 WeakPolarHBondContact OE1-CE 3.41Å; E146-K149 IonicContact OE1-NZ 3.36Å; E146-K149 PolarHBondContact OE1-NZ 3.16Å; D147-K149 VanDerWaalsContact C-N 3.32Å; D147-K149 PolarHBondContact O-N 2.89Å; K149-Y153 WeakPolarHBondContact O-CD1 3.37Å; K149-Y153 WeakPolarHBondContact O-CE1 3.48Å
150R97.4Very high96.7Very high105 Ų10534.8 Ų34.840%0.39618%0.181SC..Hα-helixtrans-88-49.6176.5-62174.1179.678.1-1.2111.3A55 E146 D147 E148 V152 Y153 H154A55-R150 HydrophobicContact CB-CG 4.14Å; E146-R150 PolarHBondContact O-NH1 2.83Å; D147-R150 WeakPolarHBondContact O-CB 3.4Å; D147-R150 PolarHBondContact O-N 2.97Å; E148-R150 PolarHBondContact O-N 3.41Å; E148-R150 VanDerWaalsContact O-N 3.12Å; R150-V152 VanDerWaalsContact C-N 3.27Å; R150-V152 PolarHBondContact O-N 2.78Å; R150-Y153 VanDerWaalsContact CA-CE1 3.49Å; R150-Y153 HydrophobicContact CB-CE1 4.5Å; R150-Y153 WeakPolarHBondContact O-CD1 3.38Å; R150-Y153 WeakPolarHBondContact O-CD2 3.45Å; R150-Y153 WeakPolarHBondContact O-CE1 3.41Å; R150-Y153 WeakPolarHBondContact O-CE2 3.26Å; R150-Y153 PolarHBondContact O-N 2.91Å; R150-H154 PolarHBondContact O-CD2 3.48Å; R150-H154 VanDerWaalsContact O-CD2 3.24Å; R150-H154 PolarHBondContact O-NE2 3.41Å
151S98Very high96.6Very high6 Ų635.9 Ų35.94%0.04219%0.187CC..Hα-helixtrans-67.9-26.9-172.567.60000113.6N133 E140 D147 E148 Y153 H154 R156N133-S151 WeakPolarHBondContact ND2-CB 3.27Å; E140-S151 VanDerWaalsContact CD-OG 3.29Å; E140-S151 WeakPolarHBondContact CG-OG 3.34Å; E140-S151 WeakPolarHBondContact OE1-CB 3.31Å; E140-S151 PolarHBondContact OE1-OG 3.21Å; D147-S151 PolarHBondContact O-N 3.47Å; D147-S151 PolarHBondContact O-OG 3.34Å; E148-S151 WeakPolarHBondContact CA-OG 3.44Å; E148-S151 PolarHBondContact O-N 2.75Å; S151-Y153 VanDerWaalsContact C-N 3.27Å; S151-Y153 PolarHBondContact O-N 3.08Å; S151-H154 WeakPolarHBondContact O-CB 3.44Å; S151-H154 PolarHBondContact O-N 3.33Å; S151-R156 PolarHBondContact O-NH1 3.17Å; S151-R156 PolarHBondContact O-NH2 3.05Å
152V98.2Very high96.7Very high9 Ų933.3 Ų33.36%0.05518%0.175CC..THydrogen-bonded Turntrans-59.2-32.1-178.367.30000114.1K111 E140 F144 E148 R150K111-V152 PolarHBondContact NZ-O 3.05Å; E140-V152 HydrophobicContact CB-CB 3.88Å; E140-V152 HydrophobicContact CB-CG2 4.06Å; E140-V152 HydrophobicContact CG-CB 3.97Å; F144-V152 HydrophobicContact CE1-CB 4.36Å; F144-V152 HydrophobicContact CE1-CG2 4.02Å; F144-V152 HydrophobicContact CZ-CG2 3.93Å; E148-V152 VanDerWaalsContact O-CB 3.28Å; E148-V152 WeakPolarHBondContact O-CB 2.99Å; E148-V152 VanDerWaalsContact O-CG1 3.28Å; E148-V152 WeakPolarHBondContact O-CG1 3.43Å; E148-V152 PolarHBondContact O-N 2.97Å; R150-V152 VanDerWaalsContact C-N 3.27Å; R150-V152 PolarHBondContact O-N 2.78Å
153Y98.2Very high97Very high32 Ų3232.3 Ų32.313%0.12517%0.169CC..THydrogen-bonded Turntrans-97.8-1.3176.860.3-112.3000113.3A55 N86 G127 I128 K149 R150 S151A55-Y153 HydrophobicContact CB-CE1 3.67Å; N86-Y153 HydrophobicContact CB-CD1 4.4Å; N86-Y153 HydrophobicContact CB-CD2 3.74Å; N86-Y153 HydrophobicContact CB-CE1 4.05Å; N86-Y153 HydrophobicContact CB-CE2 3.39Å; N86-Y153 HydrophobicContact CB-CG 4.27Å; N86-Y153 WeakPolarHBondContact O-CE1 3.38Å; G127-Y153 WeakPolarHBondContact CA-O 3.48Å; I128-Y153 HydrophobicContact CD1-CD2 4.4Å; I128-Y153 HydrophobicContact CD1-CE2 3.73Å; I128-Y153 HydrophobicContact CG1-CD2 3.93Å; I128-Y153 HydrophobicContact CG1-CE2 3.75Å; I128-Y153 PolarHBondContact N-O 3.43Å; K149-Y153 WeakPolarHBondContact O-CD1 3.37Å; K149-Y153 WeakPolarHBondContact O-CE1 3.48Å; R150-Y153 VanDerWaalsContact CA-CE1 3.49Å; R150-Y153 HydrophobicContact CB-CE1 4.5Å; R150-Y153 WeakPolarHBondContact O-CD1 3.38Å; R150-Y153 WeakPolarHBondContact O-CD2 3.45Å; R150-Y153 WeakPolarHBondContact O-CE1 3.41Å; R150-Y153 WeakPolarHBondContact O-CE2 3.26Å; R150-Y153 PolarHBondContact O-N 2.91Å; S151-Y153 VanDerWaalsContact C-N 3.27Å; S151-Y153 PolarHBondContact O-N 3.08Å
154H98.6Very high97.2Very high6 Ų628.3 Ų28.33%0.02814%0.138CC..BIsolated β-bridgetrans-68141.8175-67166.9000109.7I128 K130 N133 R150 S151 R156I128-H154 CarbonylContact O-C 3.49Å; I128-H154 WeakPolarHBondContact O-CA 3.43Å; K130-H154 VanDerWaalsContact CG-CE1 3.44Å; K130-H154 WeakPolarHBondContact CG-CE1 3.26Å; K130-H154 WeakPolarHBondContact CG-NE2 3.47Å; N133-H154 HydrophobicContact CB-CB 4.19Å; N133-H154 PolarHBondContact ND2-ND1 2.84Å; R150-H154 PolarHBondContact O-CD2 3.48Å; R150-H154 VanDerWaalsContact O-CD2 3.24Å; R150-H154 PolarHBondContact O-NE2 3.41Å; S151-H154 WeakPolarHBondContact O-CB 3.44Å; S151-H154 PolarHBondContact O-N 3.33Å; H154-R156 PolarHBondContact O-NH1 3.27Å
155V98.5Very high97.3Very high5 Ų527.9 Ų27.93%0.0314%0.136CC..  trans-63.1141.3174173.10000110.3L125 I128 Y134 V160 P211L125-V155 HydrophobicContact CD1-CG1 4.26Å; L125-V155 HydrophobicContact CD1-CG2 4.35Å; L125-V155 HydrophobicContact CD2-CG1 4.29Å; L125-V155 HydrophobicContact CD2-CG2 4.21Å; L125-V155 HydrophobicContact CG-CG2 4.22Å; I128-V155 PolarHBondContact O-N 3.42Å; Y134-V155 HydrophobicContact CD2-CG1 4.31Å; Y134-V155 HydrophobicContact CE2-CG1 4.09Å; V155-V160 HydrophobicContact CG1-CG2 3.63Å; V155-P211 HydrophobicContact CG1-CG 4.31Å
156R97.5Very high97.4Very high1 Ų125.6 Ų25.60%0.00412%0.12CC..  trans-109.9156.1168.6-56.8-62.9-177.7-88.5-7.8111.4N133 Y134 R136 G137 H138 E140 S151 H154 L158 E159 V160N133-R156 WeakPolarHBondContact O-CD 3.49Å; N133-R156 PolarHBondContact O-NE 2.97Å; Y134-R156 CarbonylContact O-C 3.53Å; Y134-R156 WeakPolarHBondContact O-CA 3.44Å; R136-R156 VanDerWaalsContact O-CD 3.29Å; R136-R156 WeakPolarHBondContact O-CD 3.34Å; G137-R156 PolarHBondContact O-NE 3.16Å; H138-R156 WeakPolarHBondContact CE1-CG 3.29Å; H138-R156 WeakPolarHBondContact NE2-CG 3.35Å; E140-R156 IonicContact OE1-CZ 3.65Å; E140-R156 IonicContact OE1-NH2 3.88Å; E140-R156 PolarHBondContact OE1-NH2 3.11Å; E140-R156 IonicContact OE2-NH2 2.84Å; E140-R156 PolarHBondContact OE2-NH2 2.84Å; S151-R156 PolarHBondContact O-NH1 3.17Å; S151-R156 PolarHBondContact O-NH2 3.05Å; H154-R156 PolarHBondContact O-NH1 3.27Å; R156-L158 PolarHBondContact O-N 3.28Å; R156-E159 WeakPolarHBondContact CB-OE2 3.42Å; R156-E159 PolarHBondContact O-N 3.49Å; R156-V160 PolarHBondContact O-N 2.84Å
157S96.2Very high97.4Very high13 Ų1325.3 Ų25.39%0.09113%0.125CC..Hα-helixtrans-62.5-24.6176.660.40000112.6Y134 V160 L161 P302Y134-S157 PolarHBondContact O-N 2.91Å; Y134-S157 PolarHBondContact O-OG 2.96Å; S157-V160 PolarHBondContact O-N 3.29Å; S157-L161 WeakPolarHBondContact O-CB 3.43Å; S157-L161 PolarHBondContact O-N 3.42Å; S157-P302 WeakPolarHBondContact OG-CG 3.5Å
158L96.3Very high97.4Very high16 Ų1626.2 Ų26.28%0.08413%0.125CC..Hα-helixtrans-62.2-51.6177177.661.8000112.1R156 V160 L161 R162 L292 L293R156-L158 PolarHBondContact O-N 3.28Å; L158-V160 VanDerWaalsContact C-N 3.3Å; L158-V160 PolarHBondContact O-N 2.75Å; L158-L161 PolarHBondContact O-N 2.89Å; L158-R162 WeakPolarHBondContact O-CG 3.26Å; L158-R162 PolarHBondContact O-N 3.44Å; L158-L292 HydrophobicContact CD1-CB 3.77Å; L158-L293 HydrophobicContact CD2-CB 4.39Å; L158-L293 HydrophobicContact CD2-CD1 3.74Å
159E98.1Very high97.4Very high10 Ų1029.2 Ų29.25%0.04715%0.148CC..Hα-helixtrans-62.7-40.1179-77.774.4-119.200111.4K111 A112 L125 H138 R156 R162 L163K111-E159 HydrophobicContact CB-CG 3.8Å; A112-E159 HydrophobicContact CB-CB 3.82Å; A112-E159 HydrophobicContact CB-CG 3.86Å; L125-E159 HydrophobicContact CD1-CB 4.19Å; H138-E159 IonicContact CE1-OE2 2.72Å; H138-E159 PolarHBondContact CE1-OE2 3.06Å; H138-E159 IonicContact NE2-OE1 2.68Å; H138-E159 PolarHBondContact NE2-OE1 2.91Å; H138-E159 IonicContact NE2-OE2 2.66Å; H138-E159 PolarHBondContact NE2-OE2 2.71Å; R156-E159 WeakPolarHBondContact CB-OE2 3.42Å; R156-E159 PolarHBondContact O-N 3.49Å; E159-R162 PolarHBondContact O-N 2.85Å; E159-R162 IonicContact OE1-NH1 2.8Å; E159-L163 WeakPolarHBondContact O-CG 3.11Å; E159-L163 PolarHBondContact O-N 3.46Å
160V97.8Very high97.4Very high0 Ų028.8 Ų28.80%015%0.146CC..Hα-helixtrans-66.2-43.8176.6178.80000111.2Y134 V155 R156 S157 L158 R162 L163 K164 P211 L215Y134-V160 HydrophobicContact CE2-CB 4.43Å; Y134-V160 HydrophobicContact CE2-CG2 3.88Å; Y134-V160 WeakPolarHBondContact OH-CB 3.46Å; Y134-V160 WeakPolarHBondContact OH-CG1 3.37Å; V155-V160 HydrophobicContact CG1-CG2 3.63Å; R156-V160 PolarHBondContact O-N 2.84Å; S157-V160 PolarHBondContact O-N 3.29Å; L158-V160 VanDerWaalsContact C-N 3.3Å; L158-V160 PolarHBondContact O-N 2.75Å; V160-R162 VanDerWaalsContact C-N 3.32Å; V160-R162 PolarHBondContact O-N 3.17Å; V160-L163 PolarHBondContact O-N 3.25Å; V160-K164 HydrophobicContact CG1-CD 4.23Å; V160-K164 HydrophobicContact CG1-CG 4.41Å; V160-K164 VanDerWaalsContact O-CG 3.29Å; V160-K164 WeakPolarHBondContact O-CG 3.18Å; V160-K164 PolarHBondContact O-N 2.71Å; V160-P211 HydrophobicContact CB-CB 4.38Å; V160-P211 HydrophobicContact CG1-CB 3.94Å; V160-P211 HydrophobicContact CG2-CB 3.58Å; V160-P211 HydrophobicContact CG2-CG 4.38Å; V160-L215 HydrophobicContact CG1-CD1 4.32Å; V160-L215 HydrophobicContact CG1-CD2 4.21Å; V160-L215 HydrophobicContact CG1-CG 4.16Å; V160-L215 HydrophobicContact CG2-CD1 4.49Å
161L95.9Very high97.4Very high25 Ų2524.3 Ų24.313%0.13113%0.13CC..Hα-helixtrans-56.1-49.3175.5177.2154.6000110S157 L158 L163 K164 Q165 T289 L292 P302 F313S157-L161 WeakPolarHBondContact O-CB 3.43Å; S157-L161 PolarHBondContact O-N 3.42Å; L158-L161 PolarHBondContact O-N 2.89Å; L161-L163 PolarHBondContact O-N 3.4Å; L161-K164 WeakPolarHBondContact O-CB 3.36Å; L161-K164 PolarHBondContact O-N 3.31Å; L161-Q165 HydrophobicContact CD2-CG 4.4Å; L161-Q165 VanDerWaalsContact O-CG 3.26Å; L161-Q165 WeakPolarHBondContact O-CG 3.23Å; L161-Q165 PolarHBondContact O-N 3.14Å; L161-Q165 PolarHBondContact O-NE2 2.97Å; L161-Q165 VanDerWaalsContact O-NE2 3.1Å; L161-T289 HydrophobicContact CD2-CG2 3.92Å; L161-L292 HydrophobicContact CD1-CD1 4.32Å; L161-L292 HydrophobicContact CD2-CD1 4.16Å; L161-P302 HydrophobicContact CD1-CB 4.08Å; L161-F313 HydrophobicContact CD2-CD2 4.01Å; L161-F313 HydrophobicContact CD2-CE2 4.45Å
162R97.5Very high97.5Very high7 Ų724 Ų243%0.02613%0.128CC..Hα-helixtrans-57.2-48.8178.3-73.5168.9168.7169.1-1.1111.8L158 E159 V160 K164 Q165 W282 I285 T289L158-R162 WeakPolarHBondContact O-CG 3.26Å; L158-R162 PolarHBondContact O-N 3.44Å; E159-R162 PolarHBondContact O-N 2.85Å; E159-R162 IonicContact OE1-NH1 2.8Å; V160-R162 VanDerWaalsContact C-N 3.32Å; V160-R162 PolarHBondContact O-N 3.17Å; R162-K164 VanDerWaalsContact C-N 3.29Å; R162-K164 PolarHBondContact O-N 3.45Å; R162-Q165 WeakPolarHBondContact O-CB 3.36Å; R162-Q165 PolarHBondContact O-N 3.06Å; R162-W282 HydrophobicContact CB-CH2 3.68Å; R162-W282 HydrophobicContact CB-CZ3 3.68Å; R162-I285 HydrophobicContact CB-CG2 3.87Å; R162-I285 HydrophobicContact CG-CG2 4.04Å; R162-T289 HydrophobicContact CG-CG2 4.22Å; R162-T289 VanDerWaalsContact CG-OG1 3.32Å; R162-T289 WeakPolarHBondContact CG-OG1 3.46Å; R162-T289 PolarHBondContact NE-OG1 2.92Å; R162-T289 PolarHBondContact NH2-O 3.08Å
163L98.5Very high97.5Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-62.6-36.1178.3-72166.4000112.1A112 V114 L125 E159 V160 L161 Q165 L166 F173 L215 L219 W282A112-L163 HydrophobicContact CB-CD1 3.92Å; A112-L163 HydrophobicContact CB-CG 4.22Å; V114-L163 HydrophobicContact CG2-CD2 4.31Å; L125-L163 HydrophobicContact CB-CD1 4.22Å; L125-L163 HydrophobicContact CD1-CD1 4.1Å; E159-L163 WeakPolarHBondContact O-CG 3.11Å; E159-L163 PolarHBondContact O-N 3.46Å; V160-L163 PolarHBondContact O-N 3.25Å; L161-L163 PolarHBondContact O-N 3.4Å; L163-Q165 PolarHBondContact O-N 3.4Å; L163-Q165 VanDerWaalsContact O-N 3.17Å; L163-L166 HydrophobicContact CD2-CD1 4.14Å; L163-L166 WeakPolarHBondContact O-CB 3.44Å; L163-L166 WeakPolarHBondContact O-CD1 3.36Å; L163-L166 WeakPolarHBondContact O-CG 3.38Å; L163-L166 PolarHBondContact O-N 2.83Å; L163-F173 HydrophobicContact CD1-CE2 4.3Å; L163-F173 HydrophobicContact CD1-CZ 3.95Å; L163-F173 HydrophobicContact CD2-CE2 4.22Å; L163-L215 HydrophobicContact CB-CD1 4.43Å; L163-L215 HydrophobicContact CB-CD2 3.59Å; L163-L215 HydrophobicContact CD1-CD1 3.85Å; L163-L219 WeakPolarHBondContact O-CD2 3.26Å; L163-W282 HydrophobicContact CD2-CE3 4.49Å; L163-W282 HydrophobicContact CD2-CH2 4.07Å; L163-W282 HydrophobicContact CD2-CZ3 3.77Å; L163-W282 HydrophobicContact CG-CH2 4.15Å; L163-W282 HydrophobicContact CG-CZ3 4.03Å
164K96.9Very high97.5Very high45 Ų4522.1 Ų22.120%0.19612%0.12CC..Hα-helixtrans-64.2-14.4174.6-72.7-179.3176177.50114.2V160 L161 R162 L166 E214 L215 M218V160-K164 HydrophobicContact CG1-CD 4.23Å; V160-K164 HydrophobicContact CG1-CG 4.41Å; V160-K164 VanDerWaalsContact O-CG 3.29Å; V160-K164 WeakPolarHBondContact O-CG 3.18Å; V160-K164 PolarHBondContact O-N 2.71Å; L161-K164 WeakPolarHBondContact O-CB 3.36Å; L161-K164 PolarHBondContact O-N 3.31Å; R162-K164 VanDerWaalsContact C-N 3.29Å; R162-K164 PolarHBondContact O-N 3.45Å; K164-L166 VanDerWaalsContact C-N 3.32Å; K164-E214 WeakPolarHBondContact CE-OE2 3.27Å; K164-E214 IonicContact NZ-OE2 3.34Å; K164-E214 PolarHBondContact NZ-OE2 2.95Å; K164-L215 HydrophobicContact CG-CD2 3.79Å; K164-M218 HydrophobicContact CB-CE 4.38Å; K164-M218 HydrophobicContact CB-SD 3.45Å; K164-M218 WeakPolarHBondContact CB-SD 3.44Å; K164-M218 HydrophobicContact CD-CE 4.06Å; K164-M218 HydrophobicContact CD-SD 4.08Å; K164-M218 HydrophobicContact CG-CE 4.13Å; K164-M218 HydrophobicContact CG-SD 3.48Å; K164-M218 WeakPolarHBondContact CG-SD 3.38Å
165Q97.2Very high97.5Very high9 Ų922 Ų224%0.04212%0.12CC..THydrogen-bonded Turntrans-86.3-2.5179.4-50.9-51.8-66.200113.8L161 R162 L163 V167 I285 P310 F313L161-Q165 HydrophobicContact CD2-CG 4.4Å; L161-Q165 VanDerWaalsContact O-CG 3.26Å; L161-Q165 WeakPolarHBondContact O-CG 3.23Å; L161-Q165 PolarHBondContact O-N 3.14Å; L161-Q165 PolarHBondContact O-NE2 2.97Å; L161-Q165 VanDerWaalsContact O-NE2 3.1Å; R162-Q165 WeakPolarHBondContact O-CB 3.36Å; R162-Q165 PolarHBondContact O-N 3.06Å; L163-Q165 PolarHBondContact O-N 3.4Å; L163-Q165 VanDerWaalsContact O-N 3.17Å; Q165-V167 PolarHBondContact O-N 3.25Å; Q165-I285 HydrophobicContact CB-CD1 3.85Å; Q165-I285 HydrophobicContact CB-CG1 3.96Å; Q165-I285 HydrophobicContact CB-CG2 4.14Å; Q165-I285 HydrophobicContact CG-CG2 4.32Å; Q165-P310 PolarHBondContact NE2-O 3.48Å; Q165-F313 HydrophobicContact CG-CB 3.75Å
166L98.1Very high97.6Very high8 Ų821.8 Ų21.84%0.04212%0.118CC..  trans-68.8127.9178.4-62.2169.5000109.8V114 L163 K164 L170 L219 E281 W282 I285V114-L166 HydrophobicContact CG2-CD1 3.71Å; V114-L166 HydrophobicContact CG2-CD2 3.88Å; V114-L166 HydrophobicContact CG2-CG 4.44Å; L163-L166 HydrophobicContact CD2-CD1 4.14Å; L163-L166 WeakPolarHBondContact O-CB 3.44Å; L163-L166 WeakPolarHBondContact O-CD1 3.36Å; L163-L166 WeakPolarHBondContact O-CG 3.38Å; L163-L166 PolarHBondContact O-N 2.83Å; K164-L166 VanDerWaalsContact C-N 3.32Å; L166-L170 HydrophobicContact CD1-CD1 4.05Å; L166-L170 HydrophobicContact CD1-CD2 4.5Å; L166-L170 HydrophobicContact CD1-CG 4.5Å; L166-L219 HydrophobicContact CB-CD2 3.95Å; L166-L219 HydrophobicContact CD1-CD1 4.28Å; L166-L219 HydrophobicContact CD1-CD2 4.2Å; L166-E281 HydrophobicContact CD2-CG 4.26Å; L166-W282 HydrophobicContact CD2-CE3 4.34Å; L166-I285 HydrophobicContact CD2-CD1 3.65Å; L166-I285 HydrophobicContact CG-CD1 4.27Å
167V96.5Very high97.6Very high95 Ų9522.3 Ų22.358%0.57612%0.121SC*.  trans-101.8-38.5175.9178.80000110.4Q165 E281 F311 A314Q165-V167 PolarHBondContact O-N 3.25Å; V167-E281 WeakPolarHBondContact CB-OE1 3.39Å; V167-E281 PolarHBondContact N-OE1 3.5Å; V167-F311 HydrophobicContact CG2-CD1 4.2Å; V167-F311 HydrophobicContact CG2-CE1 4.49Å; V167-A314 HydrophobicContact CG2-CB 3.73Å
168K95.9Very high97.7Very high103 Ų10321.8 Ų21.845%0.44812%0.117SC..SBendtrans-69.5144.7176-65176.4-177.6174.70110R121 E281R121-K168 VanDerWaalsContact NH1-C 3.29Å; R121-K168 PolarHBondContact NH1-O 3.13Å; K168-E281 WeakPolarHBondContact CB-OE2 3.38Å; K168-E281 PolarHBondContact N-OE1 3.3Å; K168-E281 PolarHBondContact N-OE2 3.48Å
169P96.6Very high97.8Very high106 Ų10621.1 Ų21.169%0.68811%0.114SC*.  trans-66.2157.7177.727.8-34.8000111.7R121R121-P169 WeakPolarHBondContact CD-O 3.31Å; R121-P169 PolarHBondContact NH1-O 3.36Å
170L98Very high97.8Very high4 Ų423.5 Ų23.52%0.02112%0.122CC..  trans-106.9142.1171.6-66.8175.8000109.9V114 R121 L166 F173 L219 P221 K222V114-L170 HydrophobicContact CG1-CD2 3.72Å; R121-L170 HydrophobicContact CB-CD2 4.44Å; R121-L170 HydrophobicContact CG-CD2 3.77Å; L166-L170 HydrophobicContact CD1-CD1 4.05Å; L166-L170 HydrophobicContact CD1-CD2 4.5Å; L166-L170 HydrophobicContact CD1-CG 4.5Å; L170-F173 HydrophobicContact CD1-CD2 3.67Å; L170-F173 HydrophobicContact CD1-CE2 4.31Å; L170-L219 HydrophobicContact CD1-CB 4.48Å; L170-L219 HydrophobicContact CD1-CD1 4Å; L170-P221 HydrophobicContact CB-CB 4.06Å; L170-P221 WeakPolarHBondContact O-CA 3.28Å; L170-K222 PolarHBondContact O-N 3.49Å
171D97.8Very high97.8Very high11 Ų1124.2 Ų24.26%0.05913%0.13CC..SBendtrans-81.1-44.6170.6-63.2-65.3000110L120 R121 K222 Y223L120-D171 HydrophobicContact CD2-CB 3.87Å; R121-D171 PolarHBondContact N-OD2 2.93Å; R121-D171 PolarHBondContact O-N 3.25Å; D171-K222 WeakPolarHBondContact O-CB 3.49Å; D171-K222 PolarHBondContact O-N 3.43Å; D171-K222 WeakPolarHBondContact OD1-CE 3.17Å; D171-K222 IonicContact OD1-NZ 3.88Å; D171-K222 PolarHBondContact OD1-NZ 2.94Å; D171-Y223 PolarHBondContact O-N 3.03Å
172V98.7Very high97.9Very high0 Ų023.2 Ų23.20%012%0.124CC..EExtended strand (participates in β ladder)trans-128.6139.3-177.6-179.30000109.5I37 R121 I122 G123 V174 Y223 F225 L265I37-V172 HydrophobicContact CD1-CG1 4.28Å; R121-V172 PolarHBondContact O-N 2.97Å; R121-V172 VanDerWaalsContact O-N 3.16Å; I122-V172 CarbonylContact C-O 3.55Å; I122-V172 WeakPolarHBondContact CA-O 3.47Å; I122-V172 HydrophobicContact CG1-CB 4.28Å; I122-V172 HydrophobicContact CG2-CB 4.24Å; I122-V172 HydrophobicContact CG2-CG1 4.23Å; G123-V172 PolarHBondContact N-O 2.98Å; V172-V174 HydrophobicContact CG1-CG2 3.91Å; V172-Y223 CarbonylContact C-O 3.57Å; V172-Y223 WeakPolarHBondContact CA-O 3.34Å; V172-Y223 HydrophobicContact CG2-CD2 4.49Å; V172-F225 HydrophobicContact CG1-CD2 3.53Å; V172-F225 HydrophobicContact CG1-CE2 3.5Å; V172-F225 VanDerWaalsContact CG1-CE2 3.5Å; V172-F225 HydrophobicContact CG1-CZ 4.47Å; V172-F225 HydrophobicContact CG2-CE2 4.22Å; V172-L265 HydrophobicContact CG2-CD1 3.7Å
173F98.9Very high97.9Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans-121.3134.7163.2-162.2-77.6000109.7G123 L125 L163 L170 L215 L219 P221 Y223 W224 F225G123-F173 CarbonylContact O-C 3.6Å; G123-F173 WeakPolarHBondContact O-CA 3.24Å; L125-F173 HydrophobicContact CB-CE1 3.97Å; L125-F173 HydrophobicContact CB-CZ 3.96Å; L163-F173 HydrophobicContact CD1-CE2 4.3Å; L163-F173 HydrophobicContact CD1-CZ 3.95Å; L163-F173 HydrophobicContact CD2-CE2 4.22Å; L170-F173 HydrophobicContact CD1-CD2 3.67Å; L170-F173 HydrophobicContact CD1-CE2 4.31Å; F173-L215 HydrophobicContact CZ-CD1 4.01Å; F173-L219 HydrophobicContact CD2-CD1 3.96Å; F173-L219 HydrophobicContact CE2-CD1 3.67Å; F173-P221 HydrophobicContact CB-CB 3.97Å; F173-P221 HydrophobicContact CB-CG 3.69Å; F173-Y223 PolarHBondContact N-O 3.14Å; F173-W224 HydrophobicContact CB-CD2 4.13Å; F173-W224 HydrophobicContact CB-CE3 3.8Å; F173-W224 HydrophobicContact CB-CZ3 4.09Å; F173-W224 AromaticContact CD1-CD2 3.98Å; F173-W224 HydrophobicContact CD1-CD2 3.98Å; F173-W224 AromaticContact CD1-CE2 3.71Å; F173-W224 AromaticContact CD1-CE3 3.92Å; F173-W224 HydrophobicContact CD1-CE3 3.92Å; F173-W224 AromaticContact CD1-CH2 3.38Å; F173-W224 HydrophobicContact CD1-CH2 3.38Å; F173-W224 AromaticContact CD1-CZ2 3.43Å; F173-W224 HydrophobicContact CD1-CZ2 3.43Å; F173-W224 VanDerWaalsContact CD1-CZ2 3.43Å; F173-W224 AromaticContact CD1-CZ3 3.62Å; F173-W224 HydrophobicContact CD1-CZ3 3.62Å; F173-W224 HydrophobicContact CD2-CZ3 4.31Å; F173-W224 AromaticContact CE1-CH2 3.5Å; F173-W224 HydrophobicContact CE1-CH2 3.5Å; F173-W224 AromaticContact CE1-CZ2 3.62Å; F173-W224 HydrophobicContact CE1-CZ2 3.62Å; F173-W224 HydrophobicContact CE1-CZ3 4.13Å; F173-W224 HydrophobicContact CG-CD2 4.35Å; F173-W224 AromaticContact CG-CE3 3.95Å; F173-W224 HydrophobicContact CG-CE3 3.95Å; F173-W224 AromaticContact CG-CH2 3.98Å; F173-W224 HydrophobicContact CG-CH2 3.98Å; F173-W224 HydrophobicContact CG-CZ2 4.36Å; F173-W224 AromaticContact CG-CZ3 3.73Å; F173-W224 HydrophobicContact CG-CZ3 3.73Å; F173-W224 HydrophobicContact CZ-CH2 4.18Å; F173-W224 CarbonylContact O-C 3.59Å; F173-W224 WeakPolarHBondContact O-CA 3.17Å; F173-F225 PolarHBondContact O-N 3.3Å
174V98.9Very high97.9Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-118.1125.6-179.8-168.30000108.8I37 C39 V83 I122 G123 G124 L125 V172 F225I37-V174 HydrophobicContact CD1-CG2 4.47Å; I37-V174 HydrophobicContact CG2-CB 4.35Å; I37-V174 HydrophobicContact CG2-CG1 3.8Å; I37-V174 HydrophobicContact CG2-CG2 3.57Å; C39-V174 HydrophobicContact CB-CG1 4.33Å; V83-V174 HydrophobicContact CG1-CB 4.1Å; V83-V174 HydrophobicContact CG1-CG1 4.01Å; V83-V174 HydrophobicContact CG2-CG1 3.83Å; I122-V174 HydrophobicContact CG2-CG2 4.06Å; G123-V174 PolarHBondContact O-N 3.47Å; G124-V174 CarbonylContact C-O 3.56Å; G124-V174 VanDerWaalsContact CA-O 3.28Å; G124-V174 WeakPolarHBondContact CA-O 3.46Å; L125-V174 PolarHBondContact N-O 3.38Å; V172-V174 HydrophobicContact CG1-CG2 3.91Å; V174-F225 WeakPolarHBondContact CA-O 3.28Å
175S98.9Very high97.9Very high4 Ų430.2 Ų30.23%0.02815%0.152CC..EExtended strand (participates in β ladder)trans-129.9155.7170.862.80000110.1L125 D177 W224 F225 A226L125-S175 WeakPolarHBondContact O-CA 3.42Å; S175-D177 WeakPolarHBondContact CB-O 3.37Å; S175-D177 PolarHBondContact OG-O 3.16Å; S175-W224 PolarHBondContact OG-NE1 2.62Å; S175-F225 PolarHBondContact N-O 2.99Å; S175-A226 VanDerWaalsContact O-CA 3.26Å; S175-A226 WeakPolarHBondContact O-CA 3.39Å
176H98.8Very high97.9Very high0 Ų030.8 Ų30.80%016%0.16CC..SBendtrans-75.1-57.6169.1-178.661.2000110.8C39 G40 D41 V83 G84 G85 N86 A227 H228C39-H176 VanDerWaalsContact O-CA 3.31Å; C39-H176 WeakPolarHBondContact O-CA 3.3Å; C39-H176 PolarHBondContact O-ND1 2.9Å; G40-H176 WeakPolarHBondContact CA-ND1 3.44Å; D41-H176 IonicContact OD1-CE1 3.66Å; D41-H176 IonicContact OD1-NE2 2.77Å; D41-H176 IonicContact OD2-CE1 3.74Å; V83-H176 HydrophobicContact CG2-CB 4.44Å; G84-H176 WeakPolarHBondContact O-CB 3.24Å; G85-H176 WeakPolarHBondContact CA-CD2 3.26Å; G85-H176 VanDerWaalsContact CA-CG 3.45Å; N86-H176 PolarHBondContact OD1-NE2 2.95Å; H176-A227 CarbonylContact O-C 3.58Å; H176-A227 PolarHBondContact O-N 3.19Å; H176-H228 AromaticContact CD2-CG 3.9Å; H176-H228 AromaticContact CD2-ND1 3.64Å; H176-H228 AromaticContact CE1-ND1 3.97Å; H176-H228 AromaticContact NE2-CG 3.59Å; H176-H228 AromaticContact NE2-ND1 3.05Å; H176-H228 PolarHBondContact NE2-ND1 2.98Å; H176-H228 WeakPolarHBondContact O-CB 3.32Å
177D98.4Very high97.9Very high13 Ų1335 Ų357%0.0718%0.182CC..SBendtrans-73.9156177.7-161.50.2000111.9I128 Y129 S175 S209 H228I128-D177 HydrophobicContact CG2-CB 4.36Å; Y129-D177 PolarHBondContact N-OD2 3.2Å; S175-D177 WeakPolarHBondContact CB-O 3.37Å; S175-D177 PolarHBondContact OG-O 3.16Å; D177-S209 WeakPolarHBondContact OD2-CB 3.41Å; D177-H228 IonicContact OD1-CD2 3.63Å
178W98.6Very high97.9Very high2 Ų235.4 Ų35.41%0.00817%0.174CC..PPolyproline II helixtrans-80145179.3-7425000110.4R180 I182 L191 G208 S209 A227 M229 V231 F233 F247 A249W178-R180 PolarHBondContact O-N 2.89Å; W178-I182 HydrophobicContact CB-CG2 4.04Å; W178-I182 HydrophobicContact CD2-CG2 4.09Å; W178-I182 HydrophobicContact CE3-CG2 3.42Å; W178-I182 VanDerWaalsContact CE3-CG2 3.42Å; W178-I182 HydrophobicContact CG-CG2 4.38Å; W178-I182 HydrophobicContact CZ3-CG2 4.23Å; W178-L191 HydrophobicContact CH2-CD1 4.21Å; W178-L191 HydrophobicContact CH2-CD2 4.48Å; W178-L191 HydrophobicContact CZ3-CD2 4.04Å; W178-G208 CarbonylContact O-C 3.59Å; W178-G208 WeakPolarHBondContact O-CA 3.44Å; W178-S209 WeakPolarHBondContact O-CB 3.44Å; W178-S209 PolarHBondContact O-N 3.02Å; W178-A227 PolarHBondContact NE1-O 2.87Å; W178-M229 HydrophobicContact CD2-CB 4.35Å; W178-M229 HydrophobicContact CD2-CG 3.77Å; W178-M229 HydrophobicContact CE3-CG 4.37Å; W178-M229 HydrophobicContact CG-CG 3.95Å; W178-M229 HydrophobicContact CH2-CB 4.3Å; W178-M229 HydrophobicContact CZ2-CB 3.65Å; W178-M229 HydrophobicContact CZ2-CG 4.03Å; W178-V231 HydrophobicContact CH2-CG1 3.92Å; W178-V231 HydrophobicContact CZ2-CG1 4.03Å; W178-F233 HydrophobicContact CE3-CD1 4.42Å; W178-F233 HydrophobicContact CH2-CB 3.32Å; W178-F233 AromaticContact CH2-CD1 3.77Å; W178-F233 HydrophobicContact CH2-CD1 3.77Å; W178-F233 AromaticContact CH2-CG 3.68Å; W178-F233 HydrophobicContact CH2-CG 3.68Å; W178-F233 HydrophobicContact CZ2-CB 3.96Å; W178-F233 HydrophobicContact CZ3-CB 4.06Å; W178-F233 AromaticContact CZ3-CD1 3.58Å; W178-F233 HydrophobicContact CZ3-CD1 3.58Å; W178-F233 HydrophobicContact CZ3-CE1 4.24Å; W178-F233 AromaticContact CZ3-CG 3.9Å; W178-F233 HydrophobicContact CZ3-CG 3.9Å; W178-F247 HydrophobicContact CD2-CE1 4.39Å; W178-F247 AromaticContact CD2-CZ 3.97Å; W178-F247 HydrophobicContact CD2-CZ 3.97Å; W178-F247 HydrophobicContact CE3-CZ 4.44Å; W178-F247 HydrophobicContact CG-CZ 4.02Å; W178-A249 HydrophobicContact CD2-CB 4.36Å; W178-A249 HydrophobicContact CH2-CB 4.18Å; W178-A249 HydrophobicContact CZ2-CB 3.22Å; W178-A249 VanDerWaalsContact NE1-CB 3.33Å
179P98.6Very high97.9Very high1 Ų137.2 Ų37.21%0.00618%0.184CC..BIsolated β-bridgetrans-57.3132.6163-22.534.4000109.9G181 I182 L216 W224 F247P179-G181 PolarHBondContact O-N 2.85Å; P179-I182 HydrophobicContact CB-CB 4.39Å; P179-I182 VanDerWaalsContact O-CB 3.26Å; P179-I182 WeakPolarHBondContact O-CB 3.32Å; P179-I182 VanDerWaalsContact O-CG2 3.24Å; P179-I182 WeakPolarHBondContact O-CG2 2.99Å; P179-I182 PolarHBondContact O-N 3.23Å; P179-L216 HydrophobicContact CB-CB 4.4Å; P179-L216 HydrophobicContact CB-CD2 3.86Å; P179-L216 HydrophobicContact CG-CD2 4.14Å; P179-W224 HydrophobicContact CG-CD2 3.99Å; P179-W224 VanDerWaalsContact CG-CE2 3.45Å; P179-W224 HydrophobicContact CG-CG 4.42Å; P179-W224 HydrophobicContact CG-CH2 4.34Å; P179-W224 HydrophobicContact CG-CZ2 3.65Å; P179-F247 HydrophobicContact CG-CE2 4.27Å
180R98.1Very high97.9Very high61 Ų6138.5 Ų38.523%0.2318%0.175CC..THydrogen-bonded Turntrans-57.7134.7178.6177.5173.6-71.8-1602.4112W178 I182 G205 L207 G208 S209 Y213W178-R180 PolarHBondContact O-N 2.89Å; R180-I182 VanDerWaalsContact C-N 3.25Å; R180-I182 PolarHBondContact O-N 2.71Å; R180-G205 WeakPolarHBondContact CD-O 3.4Å; R180-G205 PolarHBondContact NE-O 3.21Å; R180-G205 PolarHBondContact NH1-O 3.2Å; R180-L207 WeakPolarHBondContact CA-O 3.23Å; R180-G208 PolarHBondContact NE-O 2.89Å; R180-G208 PolarHBondContact NH2-O 3.04Å; R180-S209 WeakPolarHBondContact CB-O 3.38Å; R180-S209 PolarHBondContact N-O 2.83Å; R180-Y213 WeakPolarHBondContact O-CD2 3.35Å
181G97.6Very high97.9Very high15 Ų1538.5 Ų38.516%0.15518%0.175CC..THydrogen-bonded Turntrans74.79178.900000114.9P179 D183 R184P179-G181 PolarHBondContact O-N 2.85Å; G181-D183 VanDerWaalsContact C-OD1 3.25Å; G181-D183 VanDerWaalsContact CA-OD1 3.3Å; G181-D183 WeakPolarHBondContact CA-OD1 3.27Å; G181-D183 PolarHBondContact O-N 2.58Å; G181-R184 WeakPolarHBondContact O-CB 3.3Å; G181-R184 PolarHBondContact O-N 2.85Å; G181-R184 VanDerWaalsContact O-N 3.16Å
182I98.3Very high97.9Very high3 Ų339.2 Ų39.22%0.01518%0.177CC..G310 helixtrans-61.4-25.2178.5-166.460.2000112.8W178 P179 R180 R184 F185 L216 A235 V237 F247W178-I182 HydrophobicContact CB-CG2 4.04Å; W178-I182 HydrophobicContact CD2-CG2 4.09Å; W178-I182 HydrophobicContact CE3-CG2 3.42Å; W178-I182 VanDerWaalsContact CE3-CG2 3.42Å; W178-I182 HydrophobicContact CG-CG2 4.38Å; W178-I182 HydrophobicContact CZ3-CG2 4.23Å; P179-I182 HydrophobicContact CB-CB 4.39Å; P179-I182 VanDerWaalsContact O-CB 3.26Å; P179-I182 WeakPolarHBondContact O-CB 3.32Å; P179-I182 VanDerWaalsContact O-CG2 3.24Å; P179-I182 WeakPolarHBondContact O-CG2 2.99Å; P179-I182 PolarHBondContact O-N 3.23Å; R180-I182 VanDerWaalsContact C-N 3.25Å; R180-I182 PolarHBondContact O-N 2.71Å; I182-R184 PolarHBondContact O-N 2.78Å; I182-R184 VanDerWaalsContact O-N 3.16Å; I182-F185 HydrophobicContact CD1-CD2 4.31Å; I182-F185 PolarHBondContact O-N 2.92Å; I182-F185 VanDerWaalsContact O-N 3.1Å; I182-L216 HydrophobicContact CD1-CD2 4.02Å; I182-A235 HydrophobicContact CD1-CB 4.27Å; I182-A235 HydrophobicContact CG1-CB 4.28Å; I182-V237 HydrophobicContact CD1-CG2 3.39Å; I182-F247 HydrophobicContact CD1-CB 4Å; I182-F247 HydrophobicContact CD1-CD1 4.43Å; I182-F247 HydrophobicContact CD1-CD2 4.08Å; I182-F247 HydrophobicContact CD1-CG 3.91Å; I182-F247 HydrophobicContact CG1-CB 4.21Å; I182-F247 HydrophobicContact CG1-CD1 3.7Å; I182-F247 HydrophobicContact CG1-CD2 3.76Å; I182-F247 HydrophobicContact CG1-CE1 3.95Å; I182-F247 HydrophobicContact CG1-CE2 4Å; I182-F247 HydrophobicContact CG1-CG 3.6Å; I182-F247 HydrophobicContact CG1-CZ 4.08Å; I182-F247 HydrophobicContact CG2-CE1 4.33Å; I182-F247 HydrophobicContact CG2-CZ 4.18Å
183D97.5Very high97.8Very high2 Ų244.3 Ų44.31%0.01120%0.201CC..G310 helixtrans-55-32175.664.4-69.7000112.3G181 F185 G186 R188 L191 L207G181-D183 VanDerWaalsContact C-OD1 3.25Å; G181-D183 VanDerWaalsContact CA-OD1 3.3Å; G181-D183 WeakPolarHBondContact CA-OD1 3.27Å; G181-D183 PolarHBondContact O-N 2.58Å; D183-F185 PolarHBondContact O-N 2.84Å; D183-G186 PolarHBondContact O-N 2.87Å; D183-R188 HydrophobicContact CB-CB 4.48Å; D183-R188 WeakPolarHBondContact O-CB 3.46Å; D183-L191 HydrophobicContact CB-CD2 3.88Å; D183-L207 HydrophobicContact CB-CD2 4.49Å
184R97.2Very high97.5Very high131 Ų13148.2 Ų48.249%0.49422%0.221SC..G310 helixtrans-70.1-13.3-177.7-58.1177.5-175.5-98.1-6.5113.7G181 I182 A202G181-R184 WeakPolarHBondContact O-CB 3.3Å; G181-R184 PolarHBondContact O-N 2.85Å; G181-R184 VanDerWaalsContact O-N 3.16Å; I182-R184 PolarHBondContact O-N 2.78Å; I182-R184 VanDerWaalsContact O-N 3.16Å; R184-A202 PolarHBondContact NH2-O 3.04Å
185F98.1Very high97.4Very high66 Ų6649.6 Ų49.629%0.28923%0.227SC..G310 helixtrans-104.88.6-177.7-62-81.5000113.2I182 D183 A235 L236 V237 P238I182-F185 HydrophobicContact CD1-CD2 4.31Å; I182-F185 PolarHBondContact O-N 2.92Å; I182-F185 VanDerWaalsContact O-N 3.1Å; D183-F185 PolarHBondContact O-N 2.84Å; F185-A235 VanDerWaalsContact C-CB 3.49Å; F185-A235 HydrophobicContact CB-CB 3.88Å; F185-A235 VanDerWaalsContact O-CA 3.25Å; F185-A235 WeakPolarHBondContact O-CA 3.19Å; F185-A235 VanDerWaalsContact O-CB 3.26Å; F185-A235 WeakPolarHBondContact O-CB 3.44Å; F185-L236 PolarHBondContact O-N 3.29Å; F185-V237 HydrophobicContact CB-CG2 4.01Å; F185-V237 HydrophobicContact CD1-CB 4.48Å; F185-V237 HydrophobicContact CD1-CG1 4.31Å; F185-V237 HydrophobicContact CD1-CG2 4.41Å; F185-V237 HydrophobicContact CD2-CG2 4.2Å; F185-V237 HydrophobicContact CE1-CG1 4.2Å; F185-V237 HydrophobicContact CG-CG2 3.96Å; F185-V237 HydrophobicContact CZ-CG1 4.3Å; F185-P238 HydrophobicContact CE1-CG 4.49Å
186G97.6Very high97.1Very high21 Ų2156.6 Ų56.622%0.21626%0.259CS..BIsolated β-bridgetrans-141.6-162.9175.100000111.7D183 R188D183-G186 PolarHBondContact O-N 2.87Å; G186-R188 VanDerWaalsContact C-N 3.3Å; G186-R188 PolarHBondContact O-N 2.9Å
187D97.6Very high96.8Very high96 Ų9661.5 Ų61.551%0.51328%0.282SS..  trans-78.178.5178.8-171.8-10.8000111.6Q189 R190 L191D187-Q189 PolarHBondContact O-N 2.88Å; D187-Q189 PolarHBondContact OD1-N 3.42Å; D187-R190 HydrophobicContact CB-CB 4.13Å; D187-R190 PolarHBondContact O-N 3.19Å; D187-R190 WeakPolarHBondContact OD1-CB 3.41Å; D187-R190 PolarHBondContact OD1-N 3.16Å; D187-R190 WeakPolarHBondContact OD2-CB 3.38Å; D187-L191 PolarHBondContact O-N 2.83Å
188R95.5Very high96.6Very high104 Ų10461.2 Ų61.239%0.39228%0.28SS..Hα-helixtrans-63.4-28177.269.2179.9-170.7146.84.5113.1D183 G186 L191 F192 E203D183-R188 HydrophobicContact CB-CB 4.48Å; D183-R188 WeakPolarHBondContact O-CB 3.46Å; G186-R188 VanDerWaalsContact C-N 3.3Å; G186-R188 PolarHBondContact O-N 2.9Å; R188-L191 PolarHBondContact O-N 3.39Å; R188-F192 HydrophobicContact CB-CD2 4.46Å; R188-F192 HydrophobicContact CB-CE2 4Å; R188-F192 HydrophobicContact CB-CZ 4.15Å; R188-F192 HydrophobicContact CG-CE2 4.3Å; R188-F192 WeakPolarHBondContact O-CB 3.18Å; R188-F192 VanDerWaalsContact O-CD2 3.25Å; R188-F192 WeakPolarHBondContact O-CD2 3.44Å; R188-F192 WeakPolarHBondContact O-CG 3Å; R188-F192 PolarHBondContact O-N 2.73Å; R188-E203 IonicContact NH1-OE1 3.87Å; R188-E203 PolarHBondContact NH1-OE1 2.86Å
189Q96.5Very high96.4Very high141 Ų14163.8 Ų63.866%0.65930%0.296SS*.Hα-helixtrans-65.6-47.2178.3-174.3179.717.200109.7D187 F192 Q193D187-Q189 PolarHBondContact O-N 2.88Å; D187-Q189 PolarHBondContact OD1-N 3.42Å; Q189-F192 PolarHBondContact O-N 2.64Å; Q189-Q193 VanDerWaalsContact O-CG 3.29Å; Q189-Q193 WeakPolarHBondContact O-CG 3.37Å; Q189-Q193 PolarHBondContact O-N 2.96Å
190R97Very high96.3Very high134 Ų13471.5 Ų71.551%0.50633%0.332SS..Hα-helixtrans-64.3-41.8174.5-178.857.5176.7166.31.6112.1D187 F192 Q193 I194D187-R190 HydrophobicContact CB-CB 4.13Å; D187-R190 PolarHBondContact O-N 3.19Å; D187-R190 WeakPolarHBondContact OD1-CB 3.41Å; D187-R190 PolarHBondContact OD1-N 3.16Å; D187-R190 WeakPolarHBondContact OD2-CB 3.38Å; R190-F192 PolarHBondContact O-N 3.41Å; R190-Q193 WeakPolarHBondContact O-CB 3.1Å; R190-Q193 PolarHBondContact O-N 3.19Å; R190-I194 HydrophobicContact CG-CD1 4.18Å; R190-I194 WeakPolarHBondContact O-CG1 3.45Å; R190-I194 PolarHBondContact O-N 2.85Å
191L97.3Very high96.1Very high3 Ų372.6 Ų72.62%0.01634%0.34CS..Hα-helixtrans-55.8-50.7176178.461.1000111.2W178 D183 D187 R188 Q193 I194 K195 F198 V231 F233W178-L191 HydrophobicContact CH2-CD1 4.21Å; W178-L191 HydrophobicContact CH2-CD2 4.48Å; W178-L191 HydrophobicContact CZ3-CD2 4.04Å; D183-L191 HydrophobicContact CB-CD2 3.88Å; D187-L191 PolarHBondContact O-N 2.83Å; R188-L191 PolarHBondContact O-N 3.39Å; L191-Q193 VanDerWaalsContact C-N 3.34Å; L191-Q193 PolarHBondContact O-N 2.58Å; L191-I194 PolarHBondContact O-N 3.29Å; L191-I194 VanDerWaalsContact O-N 3.1Å; L191-K195 PolarHBondContact O-N 3.37Å; L191-F198 HydrophobicContact CD1-CD2 4.2Å; L191-F198 HydrophobicContact CD1-CE2 4.36Å; L191-F198 HydrophobicContact CD2-CD2 4.47Å; L191-F198 HydrophobicContact CG-CD2 4.33Å; L191-V231 HydrophobicContact CD1-CG1 3.72Å; L191-V231 HydrophobicContact CD1-CG2 4.3Å; L191-F233 HydrophobicContact CB-CD2 4.09Å; L191-F233 HydrophobicContact CB-CE2 4.07Å; L191-F233 HydrophobicContact CD1-CD2 4.26Å; L191-F233 HydrophobicContact CD2-CD2 4.09Å; L191-F233 HydrophobicContact CD2-CE2 4.02Å; L191-F233 HydrophobicContact CD2-CZ 4.41Å; L191-F233 HydrophobicContact CG-CD2 4.38Å
192F96.9Very high95.9Very high26 Ų2672 Ų7211%0.11433%0.333CS..Hα-helixtrans-72.2-25-177.8-60.8-23000113.6R188 Q189 R190 I194 K195 Q196 F198 V199 A202R188-F192 HydrophobicContact CB-CD2 4.46Å; R188-F192 HydrophobicContact CB-CE2 4Å; R188-F192 HydrophobicContact CB-CZ 4.15Å; R188-F192 HydrophobicContact CG-CE2 4.3Å; R188-F192 WeakPolarHBondContact O-CB 3.18Å; R188-F192 VanDerWaalsContact O-CD2 3.25Å; R188-F192 WeakPolarHBondContact O-CD2 3.44Å; R188-F192 WeakPolarHBondContact O-CG 3Å; R188-F192 PolarHBondContact O-N 2.73Å; Q189-F192 PolarHBondContact O-N 2.64Å; R190-F192 PolarHBondContact O-N 3.41Å; F192-I194 VanDerWaalsContact C-N 3.29Å; F192-K195 CarbonylContact O-C 3.55Å; F192-Q196 VanDerWaalsContact O-CA 3.23Å; F192-Q196 WeakPolarHBondContact O-CA 3.33Å; F192-Q196 VanDerWaalsContact O-CG 3.32Å; F192-Q196 WeakPolarHBondContact O-CG 3.36Å; F192-Q196 PolarHBondContact O-N 2.95Å; F192-Q196 VanDerWaalsContact O-N 3.17Å; F192-F198 HydrophobicContact CD1-CB 4.06Å; F192-F198 HydrophobicContact CE1-CB 4.05Å; F192-V199 HydrophobicContact CB-CG2 3.64Å; F192-V199 HydrophobicContact CD1-CG2 4.06Å; F192-V199 HydrophobicContact CD2-CG2 3.86Å; F192-V199 HydrophobicContact CG-CG2 3.59Å; F192-A202 HydrophobicContact CE1-CB 3.85Å; F192-A202 HydrophobicContact CZ-CB 3.47Å; F192-A202 VanDerWaalsContact CZ-CB 3.47Å
193Q96.6Very high95.7Very high108 Ų10876.9 Ų76.951%0.50536%0.356SS..Hα-helixtrans-62.6-38.6167.6-74.71717.400111.9Q189 R190 L191Q189-Q193 VanDerWaalsContact O-CG 3.29Å; Q189-Q193 WeakPolarHBondContact O-CG 3.37Å; Q189-Q193 PolarHBondContact O-N 2.96Å; R190-Q193 WeakPolarHBondContact O-CB 3.1Å; R190-Q193 PolarHBondContact O-N 3.19Å; L191-Q193 VanDerWaalsContact C-N 3.34Å; L191-Q193 PolarHBondContact O-N 2.58Å
194I94.5Very high95.6Very high82 Ų8280 Ų8042%0.42138%0.378SS..Hα-helixtrans-80.7-40.2179.9-60.4166.1000110.8R190 L191 F192 V231R190-I194 HydrophobicContact CG-CD1 4.18Å; R190-I194 WeakPolarHBondContact O-CG1 3.45Å; R190-I194 PolarHBondContact O-N 2.85Å; L191-I194 PolarHBondContact O-N 3.29Å; L191-I194 VanDerWaalsContact O-N 3.1Å; F192-I194 VanDerWaalsContact C-N 3.29Å; I194-V231 HydrophobicContact CD1-CG2 4.29Å; I194-V231 HydrophobicContact CG2-CG2 4.06Å
195K95.4Very high95.3Very high28 Ų2875.1 Ų75.112%0.12237%0.369CS..  trans-124.371.1-174.4-62.1-71.3-176.7156.90110.5L191 F192 H197 F198 M229 H230 V231L191-K195 PolarHBondContact O-N 3.37Å; F192-K195 CarbonylContact O-C 3.55Å; K195-H197 PolarHBondContact O-N 2.97Å; K195-H197 VanDerWaalsContact O-N 3.13Å; K195-F198 HydrophobicContact CB-CB 4.31Å; K195-F198 HydrophobicContact CB-CD1 4.15Å; K195-F198 HydrophobicContact CB-CD2 3.55Å; K195-F198 HydrophobicContact CB-CE1 4.38Å; K195-F198 HydrophobicContact CB-CE2 3.81Å; K195-F198 HydrophobicContact CB-CG 3.73Å; K195-F198 HydrophobicContact CB-CZ 4.22Å; K195-F198 HydrophobicContact CD-CE2 4.4Å; K195-F198 HydrophobicContact CD-CZ 4.21Å; K195-F198 HydrophobicContact CG-CD2 4.05Å; K195-F198 HydrophobicContact CG-CE2 3.79Å; K195-F198 HydrophobicContact CG-CZ 4.1Å; K195-F198 WeakPolarHBondContact O-CB 3.08Å; K195-F198 PolarHBondContact O-N 2.94Å; K195-M229 WeakPolarHBondContact CE-O 3.38Å; K195-M229 PolarHBondContact NZ-O 3.32Å; K195-H230 VanDerWaalsContact CE-O 3.22Å; K195-H230 WeakPolarHBondContact CE-O 3.43Å; K195-H230 PolarHBondContact NZ-O 2.81Å; K195-V231 HydrophobicContact CG-CB 4.43Å; K195-V231 HydrophobicContact CG-CG1 4.31Å
196Q94.1Very high95Very high151 Ų15177.8 Ų77.871%0.70638%0.382SS*.THydrogen-bonded Turntrans-56.5-32.8-176.2-68.7179.5-18.600113.9F192 F198 V199F192-Q196 VanDerWaalsContact O-CA 3.23Å; F192-Q196 WeakPolarHBondContact O-CA 3.33Å; F192-Q196 VanDerWaalsContact O-CG 3.32Å; F192-Q196 WeakPolarHBondContact O-CG 3.36Å; F192-Q196 PolarHBondContact O-N 2.95Å; F192-Q196 VanDerWaalsContact O-N 3.17Å; Q196-F198 PolarHBondContact O-N 3.44Å; Q196-V199 WeakPolarHBondContact O-CB 3.46Å; Q196-V199 VanDerWaalsContact O-CG2 3.28Å; Q196-V199 WeakPolarHBondContact O-CG2 2.97Å; Q196-V199 PolarHBondContact O-N 3.03Å
197H92.2Very high94.9Very high103 Ų10377 Ų7748%0.47737%0.373SS..THydrogen-bonded Turntrans-70.2-13.1178.956.4-83.8000113.9K195 V199K195-H197 PolarHBondContact O-N 2.97Å; K195-H197 VanDerWaalsContact O-N 3.13Å; H197-V199 VanDerWaalsContact C-N 3.27Å; H197-V199 PolarHBondContact O-N 3.37Å
198F93.9Very high94.9Very high8 Ų872.9 Ų72.94%0.03535%0.353CS..Hα-helixtrans-74.4-18.1174.5-720.9000113L191 F192 K195 Q196 E200 E201 A202 L207 M229 V231L191-F198 HydrophobicContact CD1-CD2 4.2Å; L191-F198 HydrophobicContact CD1-CE2 4.36Å; L191-F198 HydrophobicContact CD2-CD2 4.47Å; L191-F198 HydrophobicContact CG-CD2 4.33Å; F192-F198 HydrophobicContact CD1-CB 4.06Å; F192-F198 HydrophobicContact CE1-CB 4.05Å; K195-F198 HydrophobicContact CB-CB 4.31Å; K195-F198 HydrophobicContact CB-CD1 4.15Å; K195-F198 HydrophobicContact CB-CD2 3.55Å; K195-F198 HydrophobicContact CB-CE1 4.38Å; K195-F198 HydrophobicContact CB-CE2 3.81Å; K195-F198 HydrophobicContact CB-CG 3.73Å; K195-F198 HydrophobicContact CB-CZ 4.22Å; K195-F198 HydrophobicContact CD-CE2 4.4Å; K195-F198 HydrophobicContact CD-CZ 4.21Å; K195-F198 HydrophobicContact CG-CD2 4.05Å; K195-F198 HydrophobicContact CG-CE2 3.79Å; K195-F198 HydrophobicContact CG-CZ 4.1Å; K195-F198 WeakPolarHBondContact O-CB 3.08Å; K195-F198 PolarHBondContact O-N 2.94Å; Q196-F198 PolarHBondContact O-N 3.44Å; F198-E200 PolarHBondContact O-N 2.98Å; F198-E201 PolarHBondContact O-N 3.38Å; F198-A202 WeakPolarHBondContact O-CB 3.05Å; F198-A202 PolarHBondContact O-N 2.97Å; F198-L207 HydrophobicContact CB-CD1 4.43Å; F198-L207 HydrophobicContact CB-CD2 4.2Å; F198-L207 HydrophobicContact CD1-CD1 4.17Å; F198-L207 HydrophobicContact CD2-CD1 4.26Å; F198-L207 HydrophobicContact CD2-CD2 4.27Å; F198-L207 HydrophobicContact CE1-CD1 4.49Å; F198-L207 HydrophobicContact CG-CD1 4.06Å; F198-L207 HydrophobicContact CG-CD2 4.38Å; F198-M229 HydrophobicContact CE1-SD 4.13Å; F198-M229 HydrophobicContact CE2-CB 3.86Å; F198-M229 HydrophobicContact CE2-CG 4.17Å; F198-M229 HydrophobicContact CE2-SD 4.25Å; F198-M229 HydrophobicContact CZ-CB 3.71Å; F198-M229 HydrophobicContact CZ-CG 4Å; F198-M229 HydrophobicContact CZ-SD 3.61Å; F198-V231 HydrophobicContact CE2-CG1 4.46Å
199V94.3Very high95Very high56 Ų5668.1 Ų68.134%0.33934%0.335SS..Hα-helixtrans-58.9-48.8-175175.60000111F192 Q196 H197 A202 E203F192-V199 HydrophobicContact CB-CG2 3.64Å; F192-V199 HydrophobicContact CD1-CG2 4.06Å; F192-V199 HydrophobicContact CD2-CG2 3.86Å; F192-V199 HydrophobicContact CG-CG2 3.59Å; Q196-V199 WeakPolarHBondContact O-CB 3.46Å; Q196-V199 VanDerWaalsContact O-CG2 3.28Å; Q196-V199 WeakPolarHBondContact O-CG2 2.97Å; Q196-V199 PolarHBondContact O-N 3.03Å; H197-V199 VanDerWaalsContact C-N 3.27Å; H197-V199 PolarHBondContact O-N 3.37Å; V199-A202 PolarHBondContact O-N 3.3Å; V199-E203 HydrophobicContact CG1-CG 4.35Å; V199-E203 WeakPolarHBondContact O-CB 3.41Å; V199-E203 VanDerWaalsContact O-CG 3.3Å; V199-E203 WeakPolarHBondContact O-CG 3.36Å; V199-E203 PolarHBondContact O-N 3.11Å
200E95.4Very high95.1Very high162 Ų16264.1 Ų64.176%0.75732%0.318SS*.Hα-helixtrans-62.6-47.2-177.5-67177.7-175.800111.4F198 E203 S204F198-E200 PolarHBondContact O-N 2.98Å; E200-E203 PolarHBondContact O-N 3.13Å; E200-S204 WeakPolarHBondContact O-CB 3.47Å; E200-S204 PolarHBondContact O-N 3.35Å; E200-S204 PolarHBondContact O-OG 2.79Å
201E93.8Very high95.1Very high85 Ų8557.8 Ų57.840%0.39729%0.294SS..Hα-helixtrans-67.4-35.2178.6-65.6-178.1-171.400112.8F198 S204 G205 E206 L207F198-E201 PolarHBondContact O-N 3.38Å; E201-S204 WeakPolarHBondContact CA-OG 3.41Å; E201-S204 PolarHBondContact O-OG 2.84Å; E201-G205 PolarHBondContact O-N 3.22Å; E201-G205 VanDerWaalsContact O-N 3.12Å; E201-E206 PolarHBondContact O-N 3.3Å; E201-L207 HydrophobicContact CB-CB 3.93Å; E201-L207 HydrophobicContact CB-CD1 4.47Å; E201-L207 PolarHBondContact O-N 3.47Å
202A94.2Very high95.2Very high2 Ų257.7 Ų57.72%0.01730%0.295CS..Hα-helixtrans-70-39.817800000111.7R184 F192 F198 V199 G205 L207R184-A202 PolarHBondContact NH2-O 3.04Å; F192-A202 HydrophobicContact CE1-CB 3.85Å; F192-A202 HydrophobicContact CZ-CB 3.47Å; F192-A202 VanDerWaalsContact CZ-CB 3.47Å; F198-A202 WeakPolarHBondContact O-CB 3.05Å; F198-A202 PolarHBondContact O-N 2.97Å; V199-A202 PolarHBondContact O-N 3.3Å; A202-G205 PolarHBondContact O-N 3.24Å; A202-L207 HydrophobicContact CB-CB 4.31Å; A202-L207 HydrophobicContact CB-CD2 3.94Å
203E94.8Very high95.3Very high105 Ų10561 Ų6149%0.49131%0.307SS..Hα-helixtrans-77.2-30.9178.7-64.3-58.5157.300112.2R188 V199 E200 G205R188-E203 IonicContact NH1-OE1 3.87Å; R188-E203 PolarHBondContact NH1-OE1 2.86Å; V199-E203 HydrophobicContact CG1-CG 4.35Å; V199-E203 WeakPolarHBondContact O-CB 3.41Å; V199-E203 VanDerWaalsContact O-CG 3.3Å; V199-E203 WeakPolarHBondContact O-CG 3.36Å; V199-E203 PolarHBondContact O-N 3.11Å; E200-E203 PolarHBondContact O-N 3.13Å; E203-G205 PolarHBondContact O-N 2.88Å
204S94.8Very high95.3Very high67 Ų6758.8 Ų58.847%0.46930%0.297SS..Hα-helixtrans-74.8-12.517072.50000113.4E200 E201 E206E200-S204 WeakPolarHBondContact O-CB 3.47Å; E200-S204 PolarHBondContact O-N 3.35Å; E200-S204 PolarHBondContact O-OG 2.79Å; E201-S204 WeakPolarHBondContact CA-OG 3.41Å; E201-S204 PolarHBondContact O-OG 2.84Å; S204-E206 WeakPolarHBondContact OG-CB 3.46Å; S204-E206 WeakPolarHBondContact OG-CG 3.13Å; S204-E206 PolarHBondContact OG-OE2 3.36Å
205G90.7Very high95.5Very high29 Ų2954.9 Ų54.930%0.29928%0.277SS..THydrogen-bonded Turntrans73.329.6-176.600000113R180 E201 A202 E203R180-G205 WeakPolarHBondContact CD-O 3.4Å; R180-G205 PolarHBondContact NE-O 3.21Å; R180-G205 PolarHBondContact NH1-O 3.2Å; E201-G205 PolarHBondContact O-N 3.22Å; E201-G205 VanDerWaalsContact O-N 3.12Å; A202-G205 PolarHBondContact O-N 3.24Å; E203-G205 PolarHBondContact O-N 2.88Å
206E92.9Very high95.7Very high123 Ų12353.7 Ų53.758%0.57527%0.271SS*.  trans-106-19.2179.2-67.5178.4144.500113.2E201 S204 G208E201-E206 PolarHBondContact O-N 3.3Å; S204-E206 WeakPolarHBondContact OG-CB 3.46Å; S204-E206 WeakPolarHBondContact OG-CG 3.13Å; S204-E206 PolarHBondContact OG-OE2 3.36Å; E206-G208 PolarHBondContact O-N 3.36Å
207L95.3Very high95.8Very high4 Ų449.4 Ų49.42%0.02125%0.249CC..SBendtrans-60.8109.3178.6-176.366.4000110.6R180 D183 F198 E201 A202 M229R180-L207 WeakPolarHBondContact CA-O 3.23Å; D183-L207 HydrophobicContact CB-CD2 4.49Å; F198-L207 HydrophobicContact CB-CD1 4.43Å; F198-L207 HydrophobicContact CB-CD2 4.2Å; F198-L207 HydrophobicContact CD1-CD1 4.17Å; F198-L207 HydrophobicContact CD2-CD1 4.26Å; F198-L207 HydrophobicContact CD2-CD2 4.27Å; F198-L207 HydrophobicContact CE1-CD1 4.49Å; F198-L207 HydrophobicContact CG-CD1 4.06Å; F198-L207 HydrophobicContact CG-CD2 4.38Å; E201-L207 HydrophobicContact CB-CB 3.93Å; E201-L207 HydrophobicContact CB-CD1 4.47Å; E201-L207 PolarHBondContact O-N 3.47Å; A202-L207 HydrophobicContact CB-CB 4.31Å; A202-L207 HydrophobicContact CB-CD2 3.94Å; L207-M229 HydrophobicContact CD1-CE 3.8Å; L207-M229 HydrophobicContact CD1-SD 4.34Å
208G97.2Very high96Very high9 Ų948.1 Ų48.19%0.09324%0.244CC..SBendtrans86.8-175.9177.700000115.7W178 R180 E206W178-G208 CarbonylContact O-C 3.59Å; W178-G208 WeakPolarHBondContact O-CA 3.44Å; R180-G208 PolarHBondContact NE-O 2.89Å; R180-G208 PolarHBondContact NH2-O 3.04Å; E206-G208 PolarHBondContact O-N 3.36Å
209S98.1Very high96.2Very high4 Ų448.5 Ų48.53%0.02825%0.246CC..BIsolated β-bridgetrans-83.2116.2-170.2179.40000112.7D177 W178 R180 P211 G212 Y213D177-S209 WeakPolarHBondContact OD2-CB 3.41Å; W178-S209 WeakPolarHBondContact O-CB 3.44Å; W178-S209 PolarHBondContact O-N 3.02Å; R180-S209 WeakPolarHBondContact CB-O 3.38Å; R180-S209 PolarHBondContact N-O 2.83Å; S209-P211 WeakPolarHBondContact OG-CD 3.4Å; S209-P211 WeakPolarHBondContact OG-CG 3.18Å; S209-G212 PolarHBondContact O-N 3.5Å; S209-G212 PolarHBondContact OG-N 2.63Å; S209-Y213 PolarHBondContact O-N 3.02Å
210L97.5Very high96.4Very high57 Ų5748.8 Ų48.830%0.29824%0.243SC..Hα-helixtrans-57.3-49.9169.3-18062.3000112.4Y129 G212 Y213 E214Y129-L210 HydrophobicContact CD1-CB 4.34Å; Y129-L210 HydrophobicContact CE1-CB 3.88Å; L210-G212 PolarHBondContact O-N 3.48Å; L210-Y213 WeakPolarHBondContact O-CB 3.46Å; L210-Y213 PolarHBondContact O-N 3.41Å; L210-Y213 VanDerWaalsContact O-N 3.08Å; L210-E214 WeakPolarHBondContact O-CG 3.42Å; L210-E214 PolarHBondContact O-N 2.69Å
211P97.9Very high96.5Very high1 Ų141 Ų411%0.00621%0.207CC..Hα-helixtrans-63-29.8174.919.4-28.1000113Y129 Y134 V155 V160 S209 Y213 E214 L215Y129-P211 HydrophobicContact CD2-CG 3.45Å; Y129-P211 VanDerWaalsContact CD2-CG 3.45Å; Y129-P211 HydrophobicContact CE2-CG 3.94Å; Y129-P211 HydrophobicContact CG-CG 3.97Å; Y134-P211 HydrophobicContact CD2-CG 4.44Å; Y134-P211 HydrophobicContact CE2-CB 4Å; Y134-P211 HydrophobicContact CE2-CG 3.86Å; V155-P211 HydrophobicContact CG1-CG 4.31Å; V160-P211 HydrophobicContact CB-CB 4.38Å; V160-P211 HydrophobicContact CG1-CB 3.94Å; V160-P211 HydrophobicContact CG2-CB 3.58Å; V160-P211 HydrophobicContact CG2-CG 4.38Å; S209-P211 WeakPolarHBondContact OG-CD 3.4Å; S209-P211 WeakPolarHBondContact OG-CG 3.18Å; P211-Y213 VanDerWaalsContact C-N 3.35Å; P211-E214 PolarHBondContact O-N 2.81Å; P211-L215 WeakPolarHBondContact O-CB 3.39Å; P211-L215 VanDerWaalsContact O-CG 3.26Å; P211-L215 WeakPolarHBondContact O-CG 3.21Å; P211-L215 PolarHBondContact O-N 3.48Å
212G98.6Very high96.7Very high2 Ų241.4 Ų41.42%0.02121%0.207CC..Hα-helixtrans-60.6-43.1171.100000112.3S209 L210 L215 L216 W224S209-G212 PolarHBondContact O-N 3.5Å; S209-G212 PolarHBondContact OG-N 2.63Å; L210-G212 PolarHBondContact O-N 3.48Å; G212-L215 PolarHBondContact O-N 2.76Å; G212-L216 WeakPolarHBondContact O-CB 3.41Å; G212-L216 PolarHBondContact O-N 2.93Å; G212-W224 WeakPolarHBondContact O-CH2 3.44Å
213Y98.3Very high97Very high95 Ų9542.9 Ų42.937%0.37321%0.212SC..Hα-helixtrans-62.6-45.2173.2171.2-100.2000112.3R180 S209 L210 P211 L215 L216 R217R180-Y213 WeakPolarHBondContact O-CD2 3.35Å; S209-Y213 PolarHBondContact O-N 3.02Å; L210-Y213 WeakPolarHBondContact O-CB 3.46Å; L210-Y213 PolarHBondContact O-N 3.41Å; L210-Y213 VanDerWaalsContact O-N 3.08Å; P211-Y213 VanDerWaalsContact C-N 3.35Å; Y213-L215 VanDerWaalsContact C-N 3.34Å; Y213-L215 PolarHBondContact O-N 2.69Å; Y213-L216 PolarHBondContact O-N 2.85Å; Y213-R217 HydrophobicContact CD2-CG 4.25Å; Y213-R217 HydrophobicContact CE1-CG 4.13Å; Y213-R217 HydrophobicContact CE2-CG 3.75Å; Y213-R217 WeakPolarHBondContact O-CG 3.26Å; Y213-R217 PolarHBondContact O-N 3.09Å
214E97.7Very high97.1Very high62 Ų6237.9 Ų37.929%0.2919%0.189SC..Hα-helixtrans-59.5-44.7177.9-65.4176.216700111.9K164 L210 P211 R217 M218K164-E214 WeakPolarHBondContact CE-OE2 3.27Å; K164-E214 IonicContact NZ-OE2 3.34Å; K164-E214 PolarHBondContact NZ-OE2 2.95Å; L210-E214 WeakPolarHBondContact O-CG 3.42Å; L210-E214 PolarHBondContact O-N 2.69Å; P211-E214 PolarHBondContact O-N 2.81Å; E214-R217 PolarHBondContact O-N 2.6Å; E214-M218 VanDerWaalsContact O-CB 3.3Å; E214-M218 WeakPolarHBondContact O-CB 3.36Å; E214-M218 PolarHBondContact O-N 2.71Å
215L98.6Very high97.3Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-66.3-41.7177.3-70.7171.9000111.9L125 V160 L163 K164 F173 P211 G212 Y213 R217 M218 L219 W224L125-L215 HydrophobicContact CD2-CD1 3.88Å; V160-L215 HydrophobicContact CG1-CD1 4.32Å; V160-L215 HydrophobicContact CG1-CD2 4.21Å; V160-L215 HydrophobicContact CG1-CG 4.16Å; V160-L215 HydrophobicContact CG2-CD1 4.49Å; L163-L215 HydrophobicContact CB-CD1 4.43Å; L163-L215 HydrophobicContact CB-CD2 3.59Å; L163-L215 HydrophobicContact CD1-CD1 3.85Å; K164-L215 HydrophobicContact CG-CD2 3.79Å; F173-L215 HydrophobicContact CZ-CD1 4.01Å; P211-L215 WeakPolarHBondContact O-CB 3.39Å; P211-L215 VanDerWaalsContact O-CG 3.26Å; P211-L215 WeakPolarHBondContact O-CG 3.21Å; P211-L215 PolarHBondContact O-N 3.48Å; G212-L215 PolarHBondContact O-N 2.76Å; Y213-L215 VanDerWaalsContact C-N 3.34Å; Y213-L215 PolarHBondContact O-N 2.69Å; L215-R217 PolarHBondContact O-N 3Å; L215-M218 PolarHBondContact O-N 3.32Å; L215-L219 HydrophobicContact CB-CD1 4.29Å; L215-L219 HydrophobicContact CD2-CD1 3.93Å; L215-L219 HydrophobicContact CD2-CG 4.44Å; L215-L219 VanDerWaalsContact O-CB 3.26Å; L215-L219 WeakPolarHBondContact O-CB 3.35Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 3.07Å; L215-W224 HydrophobicContact CB-CH2 3.99Å; L215-W224 HydrophobicContact CB-CZ3 4.38Å
216L98.7Very high97.7Very high2 Ų233.3 Ų33.31%0.0115%0.153CC..Hα-helixtrans-57.5-47.2175.8173.263.2000111.7P179 I182 G212 Y213 K220 W224 V237 H239 T245P179-L216 HydrophobicContact CB-CB 4.4Å; P179-L216 HydrophobicContact CB-CD2 3.86Å; P179-L216 HydrophobicContact CG-CD2 4.14Å; I182-L216 HydrophobicContact CD1-CD2 4.02Å; G212-L216 WeakPolarHBondContact O-CB 3.41Å; G212-L216 PolarHBondContact O-N 2.93Å; Y213-L216 PolarHBondContact O-N 2.85Å; L216-K220 PolarHBondContact O-N 2.72Å; L216-W224 VanDerWaalsContact CA-CZ3 3.48Å; L216-W224 HydrophobicContact CB-CE3 3.99Å; L216-W224 HydrophobicContact CB-CH2 4.24Å; L216-W224 HydrophobicContact CB-CZ3 3.69Å; L216-W224 HydrophobicContact CD1-CD2 4.36Å; L216-W224 HydrophobicContact CD1-CE3 3.68Å; L216-W224 HydrophobicContact CD1-CZ3 4.24Å; L216-W224 HydrophobicContact CG-CE3 4.41Å; L216-V237 HydrophobicContact CD2-CG1 4.26Å; L216-V237 HydrophobicContact CD2-CG2 4.22Å; L216-H239 PolarHBondContact O-CE1 3.48Å; L216-T245 HydrophobicContact CD1-CG2 3.74Å
217R97.3Very high98Very high61 Ų6127.5 Ų27.523%0.2313%0.125CC..Hα-helixtrans-69.2-33.4179.7-66.8-59.4-61.7175.5-4.1113.1Y213 E214 L215 K220 P238 E240Y213-R217 HydrophobicContact CD2-CG 4.25Å; Y213-R217 HydrophobicContact CE1-CG 4.13Å; Y213-R217 HydrophobicContact CE2-CG 3.75Å; Y213-R217 WeakPolarHBondContact O-CG 3.26Å; Y213-R217 PolarHBondContact O-N 3.09Å; E214-R217 PolarHBondContact O-N 2.6Å; L215-R217 PolarHBondContact O-N 3Å; R217-K220 WeakPolarHBondContact O-CE 3.39Å; R217-K220 WeakPolarHBondContact O-CG 3.43Å; R217-P238 PolarHBondContact NH1-O 2.93Å; R217-E240 IonicContact NH2-OE1 3.6Å; R217-E240 PolarHBondContact NH2-OE1 3.21Å
218M96.5Very high98.1Very high76 Ų7628.2 Ų28.237%0.37413%0.129SC..Hα-helixtrans-83-47-177.4-173.6173.7-71.900112.7K164 E214 L215K164-M218 HydrophobicContact CB-CE 4.38Å; K164-M218 HydrophobicContact CB-SD 3.45Å; K164-M218 WeakPolarHBondContact CB-SD 3.44Å; K164-M218 HydrophobicContact CD-CE 4.06Å; K164-M218 HydrophobicContact CD-SD 4.08Å; K164-M218 HydrophobicContact CG-CE 4.13Å; K164-M218 HydrophobicContact CG-SD 3.48Å; K164-M218 WeakPolarHBondContact CG-SD 3.38Å; E214-M218 VanDerWaalsContact O-CB 3.3Å; E214-M218 WeakPolarHBondContact O-CB 3.36Å; E214-M218 PolarHBondContact O-N 2.71Å; L215-M218 PolarHBondContact O-N 3.32Å
219L98Very high98.1Very high16 Ų1628.6 Ų28.68%0.08413%0.128CC..Hα-helixtrans-88.3-25.6-171.4-59.6-179.5000113.9L163 L166 L170 F173 L215L163-L219 WeakPolarHBondContact O-CD2 3.26Å; L166-L219 HydrophobicContact CB-CD2 3.95Å; L166-L219 HydrophobicContact CD1-CD1 4.28Å; L166-L219 HydrophobicContact CD1-CD2 4.2Å; L170-L219 HydrophobicContact CD1-CB 4.48Å; L170-L219 HydrophobicContact CD1-CD1 4Å; F173-L219 HydrophobicContact CD2-CD1 3.96Å; F173-L219 HydrophobicContact CE2-CD1 3.67Å; L215-L219 HydrophobicContact CB-CD1 4.29Å; L215-L219 HydrophobicContact CD2-CD1 3.93Å; L215-L219 HydrophobicContact CD2-CG 4.44Å; L215-L219 VanDerWaalsContact O-CB 3.26Å; L215-L219 WeakPolarHBondContact O-CB 3.35Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 3.07Å
220K98.1Very high98Very high62 Ų6229.2 Ų29.227%0.2713%0.13SC..  trans46.951174-47.8178.6-170.9-179.70113.5L216 R217 H239 D241L216-K220 PolarHBondContact O-N 2.72Å; R217-K220 WeakPolarHBondContact O-CE 3.39Å; R217-K220 WeakPolarHBondContact O-CG 3.43Å; K220-H239 HydrophobicContact CD-CB 3.83Å; K220-H239 HydrophobicContact CG-CB 4.29Å; K220-D241 WeakPolarHBondContact CD-OD2 3.49Å; K220-D241 IonicContact NZ-OD1 2.62Å; K220-D241 IonicContact NZ-OD2 2.84Å; K220-D241 PolarHBondContact NZ-OD2 2.91Å
221P98.3Very high98Very high0 Ų026.8 Ų26.80%012%0.118CC..  trans-64.5152.8-178.331.2-37.2000110.5L170 F173 Y223 W224 T245L170-P221 HydrophobicContact CB-CB 4.06Å; L170-P221 WeakPolarHBondContact O-CA 3.28Å; F173-P221 HydrophobicContact CB-CB 3.97Å; F173-P221 HydrophobicContact CB-CG 3.69Å; P221-Y223 VanDerWaalsContact C-N 3.26Å; P221-Y223 PolarHBondContact O-N 2.97Å; P221-W224 HydrophobicContact CG-CE3 3.75Å; P221-W224 HydrophobicContact CG-CZ3 4.39Å; P221-T245 HydrophobicContact CG-CG2 4.2Å; P221-T245 WeakPolarHBondContact O-CA 3.42Å; P221-T245 VanDerWaalsContact O-CB 3.23Å; P221-T245 WeakPolarHBondContact O-CB 3.31Å; P221-T245 VanDerWaalsContact O-CG2 3.27Å; P221-T245 WeakPolarHBondContact O-CG2 3.37Å; P221-T245 PolarHBondContact O-OG1 3.19Å
222K98Very high98Very high92 Ų9229.8 Ų29.840%0.413%0.131SC..SBendtrans-61.8-38.5175.9-60.6173.5-177.6160.80111.7L170 D171 K246L170-K222 PolarHBondContact O-N 3.49Å; D171-K222 WeakPolarHBondContact O-CB 3.49Å; D171-K222 PolarHBondContact O-N 3.43Å; D171-K222 WeakPolarHBondContact OD1-CE 3.17Å; D171-K222 IonicContact OD1-NZ 3.88Å; D171-K222 PolarHBondContact OD1-NZ 2.94Å; K222-K246 PolarHBondContact O-N 2.8Å
223Y98.8Very high98Very high33 Ų3330.2 Ų30.213%0.12913%0.132CC..EExtended strand (participates in β ladder)trans-126.9139.9179.4-59.2-85.4000111.3D171 V172 F173 P221 F225 K246 L265D171-Y223 PolarHBondContact O-N 3.03Å; V172-Y223 CarbonylContact C-O 3.57Å; V172-Y223 WeakPolarHBondContact CA-O 3.34Å; V172-Y223 HydrophobicContact CG2-CD2 4.49Å; F173-Y223 PolarHBondContact N-O 3.14Å; P221-Y223 VanDerWaalsContact C-N 3.26Å; P221-Y223 PolarHBondContact O-N 2.97Å; Y223-F225 HydrophobicContact CD1-CE1 4.27Å; Y223-F225 HydrophobicContact CD1-CZ 4.24Å; Y223-F225 HydrophobicContact CG-CE1 4.39Å; Y223-F225 HydrophobicContact CG-CZ 4.1Å; Y223-K246 WeakPolarHBondContact CA-O 3.44Å; Y223-K246 HydrophobicContact CD1-CB 3.84Å; Y223-K246 HydrophobicContact CD1-CD 4.3Å; Y223-K246 HydrophobicContact CE1-CB 4.09Å; Y223-K246 HydrophobicContact CE1-CD 3.66Å; Y223-K246 HydrophobicContact CE1-CG 4.46Å; Y223-L265 HydrophobicContact CD1-CD2 4.14Å; Y223-L265 HydrophobicContact CD2-CD2 3.95Å; Y223-L265 HydrophobicContact CE1-CD2 3.88Å; Y223-L265 HydrophobicContact CE2-CD2 3.69Å; Y223-L265 HydrophobicContact CG-CD2 4.18Å
224W98.9Very high98Very high0 Ų027 Ų270%013%0.126CC..EExtended strand (participates in β ladder)trans-125.6120.4170.5-170.5-59.8000109.9F173 S175 P179 G212 L215 L216 P221 T245 K246 F247 L248F173-W224 HydrophobicContact CB-CD2 4.13Å; F173-W224 HydrophobicContact CB-CE3 3.8Å; F173-W224 HydrophobicContact CB-CZ3 4.09Å; F173-W224 AromaticContact CD1-CD2 3.98Å; F173-W224 HydrophobicContact CD1-CD2 3.98Å; F173-W224 AromaticContact CD1-CE2 3.71Å; F173-W224 AromaticContact CD1-CE3 3.92Å; F173-W224 HydrophobicContact CD1-CE3 3.92Å; F173-W224 AromaticContact CD1-CH2 3.38Å; F173-W224 HydrophobicContact CD1-CH2 3.38Å; F173-W224 AromaticContact CD1-CZ2 3.43Å; F173-W224 HydrophobicContact CD1-CZ2 3.43Å; F173-W224 VanDerWaalsContact CD1-CZ2 3.43Å; F173-W224 AromaticContact CD1-CZ3 3.62Å; F173-W224 HydrophobicContact CD1-CZ3 3.62Å; F173-W224 HydrophobicContact CD2-CZ3 4.31Å; F173-W224 AromaticContact CE1-CH2 3.5Å; F173-W224 HydrophobicContact CE1-CH2 3.5Å; F173-W224 AromaticContact CE1-CZ2 3.62Å; F173-W224 HydrophobicContact CE1-CZ2 3.62Å; F173-W224 HydrophobicContact CE1-CZ3 4.13Å; F173-W224 HydrophobicContact CG-CD2 4.35Å; F173-W224 AromaticContact CG-CE3 3.95Å; F173-W224 HydrophobicContact CG-CE3 3.95Å; F173-W224 AromaticContact CG-CH2 3.98Å; F173-W224 HydrophobicContact CG-CH2 3.98Å; F173-W224 HydrophobicContact CG-CZ2 4.36Å; F173-W224 AromaticContact CG-CZ3 3.73Å; F173-W224 HydrophobicContact CG-CZ3 3.73Å; F173-W224 HydrophobicContact CZ-CH2 4.18Å; F173-W224 CarbonylContact O-C 3.59Å; F173-W224 WeakPolarHBondContact O-CA 3.17Å; S175-W224 PolarHBondContact OG-NE1 2.62Å; P179-W224 HydrophobicContact CG-CD2 3.99Å; P179-W224 VanDerWaalsContact CG-CE2 3.45Å; P179-W224 HydrophobicContact CG-CG 4.42Å; P179-W224 HydrophobicContact CG-CH2 4.34Å; P179-W224 HydrophobicContact CG-CZ2 3.65Å; G212-W224 WeakPolarHBondContact O-CH2 3.44Å; L215-W224 HydrophobicContact CB-CH2 3.99Å; L215-W224 HydrophobicContact CB-CZ3 4.38Å; L216-W224 VanDerWaalsContact CA-CZ3 3.48Å; L216-W224 HydrophobicContact CB-CE3 3.99Å; L216-W224 HydrophobicContact CB-CH2 4.24Å; L216-W224 HydrophobicContact CB-CZ3 3.69Å; L216-W224 HydrophobicContact CD1-CD2 4.36Å; L216-W224 HydrophobicContact CD1-CE3 3.68Å; L216-W224 HydrophobicContact CD1-CZ3 4.24Å; L216-W224 HydrophobicContact CG-CE3 4.41Å; P221-W224 HydrophobicContact CG-CE3 3.75Å; P221-W224 HydrophobicContact CG-CZ3 4.39Å; W224-T245 HydrophobicContact CB-CG2 3.69Å; W224-K246 PolarHBondContact N-O 3.3Å; W224-F247 HydrophobicContact CB-CD2 3.93Å; W224-F247 AromaticContact CD1-CD2 3.45Å; W224-F247 VanDerWaalsContact CD1-CD2 3.45Å; W224-F247 AromaticContact CD1-CE2 3.47Å; W224-F247 VanDerWaalsContact CD1-CE2 3.47Å; W224-F247 AromaticContact CG-CD2 3.83Å; W224-F247 HydrophobicContact CG-CD2 3.83Å; W224-F247 HydrophobicContact CG-CE2 4.27Å; W224-F247 CarbonylContact O-C 3.46Å; W224-F247 WeakPolarHBondContact O-CA 3.44Å; W224-L248 PolarHBondContact O-N 3.16Å
225F98.9Very high98.1Very high1 Ų124.4 Ų24.40%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-110.3134.3180-53.9-38.4000111.5V7 I37 V172 F173 V174 S175 Y223 L248 L263 L265V7-F225 HydrophobicContact CG1-CB 3.96Å; V7-F225 HydrophobicContact CG1-CD1 4.27Å; V7-F225 HydrophobicContact CG1-CD2 4.17Å; V7-F225 HydrophobicContact CG1-CG 3.88Å; V7-F225 HydrophobicContact CG2-CD1 4.27Å; V7-F225 HydrophobicContact CG2-CD2 3.81Å; V7-F225 HydrophobicContact CG2-CE1 4.15Å; V7-F225 HydrophobicContact CG2-CE2 3.67Å; V7-F225 HydrophobicContact CG2-CG 4.13Å; V7-F225 HydrophobicContact CG2-CZ 3.85Å; I37-F225 HydrophobicContact CD1-CD2 4.35Å; I37-F225 HydrophobicContact CD1-CE2 4.36Å; V172-F225 HydrophobicContact CG1-CD2 3.53Å; V172-F225 HydrophobicContact CG1-CE2 3.5Å; V172-F225 VanDerWaalsContact CG1-CE2 3.5Å; V172-F225 HydrophobicContact CG1-CZ 4.47Å; V172-F225 HydrophobicContact CG2-CE2 4.22Å; F173-F225 PolarHBondContact O-N 3.3Å; V174-F225 WeakPolarHBondContact CA-O 3.28Å; S175-F225 PolarHBondContact N-O 2.99Å; Y223-F225 HydrophobicContact CD1-CE1 4.27Å; Y223-F225 HydrophobicContact CD1-CZ 4.24Å; Y223-F225 HydrophobicContact CG-CE1 4.39Å; Y223-F225 HydrophobicContact CG-CZ 4.1Å; F225-L248 VanDerWaalsContact CA-O 3.32Å; F225-L248 WeakPolarHBondContact CA-O 3.44Å; F225-L248 HydrophobicContact CD1-CB 4.03Å; F225-L248 HydrophobicContact CE1-CB 4.37Å; F225-L263 HydrophobicContact CE1-CD1 3.51Å; F225-L263 HydrophobicContact CZ-CD1 3.49Å; F225-L263 VanDerWaalsContact CZ-CD1 3.49Å; F225-L265 HydrophobicContact CE2-CD1 4.36Å; F225-L265 HydrophobicContact CZ-CD1 4.36Å
226A98.8Very high98.1Very high0 Ų026.8 Ų26.80%013%0.127CC..EExtended strand (participates in β ladder)trans-142.2169.1-179.700000114.4S175 F247 L248 A249 L250S175-A226 VanDerWaalsContact O-CA 3.26Å; S175-A226 WeakPolarHBondContact O-CA 3.39Å; A226-F247 HydrophobicContact CB-CE2 3.76Å; A226-F247 HydrophobicContact CB-CZ 3.78Å; A226-L248 PolarHBondContact N-O 2.63Å; A226-A249 HydrophobicContact CB-CB 4.41Å; A226-A249 VanDerWaalsContact O-CA 3.23Å; A226-A249 WeakPolarHBondContact O-CA 3.46Å; A226-L250 PolarHBondContact O-N 3.01Å
227A98.4Very high98.1Very high0 Ų026.7 Ų26.70%013%0.127CC..  trans-138.9-126.417400000111.4C10 C39 H176 W178 M229C10-A227 VanDerWaalsContact SG-CB 3.6Å; C39-A227 HydrophobicContact CB-CB 3.72Å; C39-A227 WeakPolarHBondContact O-CB 3.16Å; H176-A227 CarbonylContact O-C 3.58Å; H176-A227 PolarHBondContact O-N 3.19Å; W178-A227 PolarHBondContact NE1-O 2.87Å; A227-M229 PolarHBondContact O-N 2.84Å
228H97.9Very high98.1Very high20 Ų2027.2 Ų27.29%0.09314%0.138CC..SBendtrans68.2-50175.2-166.555.4000116.2C10 N86 H176 D177 H230C10-H228 PolarHBondContact SG-N 3.28Å; N86-H228 PolarHBondContact OD1-CE1 3Å; N86-H228 PolarHBondContact OD1-ND1 3.43Å; N86-H228 VanDerWaalsContact OD1-ND1 3.11Å; H176-H228 AromaticContact CD2-CG 3.9Å; H176-H228 AromaticContact CD2-ND1 3.64Å; H176-H228 AromaticContact CE1-ND1 3.97Å; H176-H228 AromaticContact NE2-CG 3.59Å; H176-H228 AromaticContact NE2-ND1 3.05Å; H176-H228 PolarHBondContact NE2-ND1 2.98Å; H176-H228 WeakPolarHBondContact O-CB 3.32Å; D177-H228 IonicContact OD1-CD2 3.63Å; H228-H230 VanDerWaalsContact C-N 3.29Å; H228-H230 PolarHBondContact O-N 3.17Å
229M96.9Very high98.2Very high17 Ų1724 Ų248%0.08412%0.122CC..SBendtrans-80.3-4.2-172.9-62.6-54-18000114.7W178 K195 F198 L207 A227 V231W178-M229 HydrophobicContact CD2-CB 4.35Å; W178-M229 HydrophobicContact CD2-CG 3.77Å; W178-M229 HydrophobicContact CE3-CG 4.37Å; W178-M229 HydrophobicContact CG-CG 3.95Å; W178-M229 HydrophobicContact CH2-CB 4.3Å; W178-M229 HydrophobicContact CZ2-CB 3.65Å; W178-M229 HydrophobicContact CZ2-CG 4.03Å; K195-M229 WeakPolarHBondContact CE-O 3.38Å; K195-M229 PolarHBondContact NZ-O 3.32Å; F198-M229 HydrophobicContact CE1-SD 4.13Å; F198-M229 HydrophobicContact CE2-CB 3.86Å; F198-M229 HydrophobicContact CE2-CG 4.17Å; F198-M229 HydrophobicContact CE2-SD 4.25Å; F198-M229 HydrophobicContact CZ-CB 3.71Å; F198-M229 HydrophobicContact CZ-CG 4Å; F198-M229 HydrophobicContact CZ-SD 3.61Å; L207-M229 HydrophobicContact CD1-CE 3.8Å; L207-M229 HydrophobicContact CD1-SD 4.34Å; A227-M229 PolarHBondContact O-N 2.84Å; M229-V231 HydrophobicContact CB-CG1 4.31Å; M229-V231 PolarHBondContact O-N 3.45Å
230H96.6Very high98Very high16 Ų1631.4 Ų31.47%0.07416%0.156CC..  trans5054.4176.8-58.5152.3000113C10 H12 K195 H228 D251 K252C10-H230 PolarHBondContact SG-NE2 3.08Å; C10-H230 VanDerWaalsContact SG-NE2 3.37Å; H12-H230 AromaticContact NE2-CE1 3.8Å; H12-H230 AromaticContact NE2-NE2 3.41Å; H12-H230 PolarHBondContact NE2-NE2 3.31Å; K195-H230 VanDerWaalsContact CE-O 3.22Å; K195-H230 WeakPolarHBondContact CE-O 3.43Å; K195-H230 PolarHBondContact NZ-O 2.81Å; H228-H230 VanDerWaalsContact C-N 3.29Å; H228-H230 PolarHBondContact O-N 3.17Å; H230-D251 VanDerWaalsContact CA-OD1 3.29Å; H230-D251 WeakPolarHBondContact CA-OD1 3.28Å; H230-D251 WeakPolarHBondContact CB-OD1 3.45Å; H230-K252 HydrophobicContact CB-CG 4.3Å
231V97.4Very high97.9Very high7 Ų733.1 Ų33.14%0.04217%0.168CC..SBendtrans-159.3141.2174.359.50000109.2W178 L191 I194 K195 F198 M229 F233W178-V231 HydrophobicContact CH2-CG1 3.92Å; W178-V231 HydrophobicContact CZ2-CG1 4.03Å; L191-V231 HydrophobicContact CD1-CG1 3.72Å; L191-V231 HydrophobicContact CD1-CG2 4.3Å; I194-V231 HydrophobicContact CD1-CG2 4.29Å; I194-V231 HydrophobicContact CG2-CG2 4.06Å; K195-V231 HydrophobicContact CG-CB 4.43Å; K195-V231 HydrophobicContact CG-CG1 4.31Å; F198-V231 HydrophobicContact CE2-CG1 4.46Å; M229-V231 HydrophobicContact CB-CG1 4.31Å; M229-V231 PolarHBondContact O-N 3.45Å; V231-F233 PolarHBondContact O-N 3.04Å
232K98.1Very high97.9Very high63 Ų6336.3 Ų36.327%0.27420%0.201SC..  trans-71.9124.6168.8176.1174.6179176.70109.6A249 L250 H258 Q261K232-A249 CarbonylContact C-O 3.58Å; K232-A249 VanDerWaalsContact CA-O 3.25Å; K232-A249 WeakPolarHBondContact CA-O 3.39Å; K232-L250 HydrophobicContact CB-CD2 4.48Å; K232-L250 HydrophobicContact CD-CD2 4.28Å; K232-L250 HydrophobicContact CG-CD2 4.13Å; K232-H258 HydrophobicContact CB-CB 3.72Å; K232-H258 HydrophobicContact CD-CB 3.82Å; K232-H258 HydrophobicContact CG-CB 4.35Å; K232-Q261 VanDerWaalsContact CE-OE1 3.3Å
233F98.4Very high97.9Very high11 Ų1134 Ų345%0.04820%0.196CC..EExtended strand (participates in β ladder)trans-143.1134.3176.4-176.4-106.1000109.7W178 L191 V231 A235 F247 A249W178-F233 HydrophobicContact CE3-CD1 4.42Å; W178-F233 HydrophobicContact CH2-CB 3.32Å; W178-F233 AromaticContact CH2-CD1 3.77Å; W178-F233 HydrophobicContact CH2-CD1 3.77Å; W178-F233 AromaticContact CH2-CG 3.68Å; W178-F233 HydrophobicContact CH2-CG 3.68Å; W178-F233 HydrophobicContact CZ2-CB 3.96Å; W178-F233 HydrophobicContact CZ3-CB 4.06Å; W178-F233 AromaticContact CZ3-CD1 3.58Å; W178-F233 HydrophobicContact CZ3-CD1 3.58Å; W178-F233 HydrophobicContact CZ3-CE1 4.24Å; W178-F233 AromaticContact CZ3-CG 3.9Å; W178-F233 HydrophobicContact CZ3-CG 3.9Å; L191-F233 HydrophobicContact CB-CD2 4.09Å; L191-F233 HydrophobicContact CB-CE2 4.07Å; L191-F233 HydrophobicContact CD1-CD2 4.26Å; L191-F233 HydrophobicContact CD2-CD2 4.09Å; L191-F233 HydrophobicContact CD2-CE2 4.02Å; L191-F233 HydrophobicContact CD2-CZ 4.41Å; L191-F233 HydrophobicContact CG-CD2 4.38Å; V231-F233 PolarHBondContact O-N 3.04Å; F233-A235 HydrophobicContact CE1-CB 3.81Å; F233-A235 HydrophobicContact CZ-CB 4.36Å; F233-F247 HydrophobicContact CD1-CD1 4.15Å; F233-F247 AromaticContact CD1-CE1 3.89Å; F233-F247 HydrophobicContact CD1-CE1 3.89Å; F233-A249 HydrophobicContact CB-CB 4.47Å; F233-A249 PolarHBondContact N-O 3.36Å; F233-A249 PolarHBondContact O-N 2.85Å
234A98.5Very high97.8Very high29 Ų2936.4 Ų36.424%0.2421%0.211CC..EExtended strand (participates in β ladder)trans-122.3142.717700000109F247A234-F247 WeakPolarHBondContact CA-O 3.08Å
235A98.6Very high97.8Very high7 Ų736.4 Ų36.46%0.05821%0.211CC..EExtended strand (participates in β ladder)trans-147152.9179.700000110.6I182 F185 F233 F247I182-A235 HydrophobicContact CD1-CB 4.27Å; I182-A235 HydrophobicContact CG1-CB 4.28Å; F185-A235 VanDerWaalsContact C-CB 3.49Å; F185-A235 HydrophobicContact CB-CB 3.88Å; F185-A235 VanDerWaalsContact O-CA 3.25Å; F185-A235 WeakPolarHBondContact O-CA 3.19Å; F185-A235 VanDerWaalsContact O-CB 3.26Å; F185-A235 WeakPolarHBondContact O-CB 3.44Å; F233-A235 HydrophobicContact CE1-CB 3.81Å; F233-A235 HydrophobicContact CZ-CB 4.36Å; A235-F247 HydrophobicContact CB-CB 4.1Å; A235-F247 HydrophobicContact CB-CD1 4.2Å; A235-F247 PolarHBondContact N-O 3.01Å; A235-F247 VanDerWaalsContact N-O 3.09Å; A235-F247 PolarHBondContact O-N 3.49Å
236L98.6Very high97.8Very high50 Ų5039.1 Ų39.126%0.26222%0.223SC..EExtended strand (participates in β ladder)trans-119.2113.5176.7-168.469.2000109.1F185 P238 L244 K246F185-L236 PolarHBondContact O-N 3.29Å; L236-P238 VanDerWaalsContact O-CD 3.29Å; L236-P238 WeakPolarHBondContact O-CD 3.38Å; L236-L244 HydrophobicContact CD1-CB 4.07Å; L236-L244 HydrophobicContact CD1-CD1 4.37Å; L236-L244 HydrophobicContact CD1-CD2 4.42Å; L236-L244 HydrophobicContact CD2-CD1 4.24Å; L236-L244 HydrophobicContact CD2-CD2 4.23Å; L236-L244 HydrophobicContact CG-CD2 4.02Å; L236-K246 HydrophobicContact CD1-CG 3.85Å
237V98.6Very high97.8Very high0 Ų039.3 Ų39.30%022%0.224CC..EExtended strand (participates in β ladder)trans-102.7109.7-173.5-174.60000109.7I182 F185 L216 L244 T245I182-V237 HydrophobicContact CD1-CG2 3.39Å; F185-V237 HydrophobicContact CB-CG2 4.01Å; F185-V237 HydrophobicContact CD1-CB 4.48Å; F185-V237 HydrophobicContact CD1-CG1 4.31Å; F185-V237 HydrophobicContact CD1-CG2 4.41Å; F185-V237 HydrophobicContact CD2-CG2 4.2Å; F185-V237 HydrophobicContact CE1-CG1 4.2Å; F185-V237 HydrophobicContact CG-CG2 3.96Å; F185-V237 HydrophobicContact CZ-CG1 4.3Å; L216-V237 HydrophobicContact CD2-CG1 4.26Å; L216-V237 HydrophobicContact CD2-CG2 4.22Å; V237-L244 WeakPolarHBondContact O-CA 3.47Å; V237-T245 PolarHBondContact N-O 2.94Å; V237-T245 PolarHBondContact O-N 3.08Å
238P98.2Very high97.8Very high71 Ų7139.9 Ų39.946%0.46123%0.227SC..EExtended strand (participates in β ladder)trans-75.7133.7172.830.6-33.8000111.7F185 R217 L236 L244F185-P238 HydrophobicContact CE1-CG 4.49Å; R217-P238 PolarHBondContact NH1-O 2.93Å; L236-P238 VanDerWaalsContact O-CD 3.29Å; L236-P238 WeakPolarHBondContact O-CD 3.38Å; P238-L244 HydrophobicContact CB-CD2 4.02Å
239H98Very high97.9Very high10 Ų1039 Ų395%0.04622%0.223CC..  trans-103.7158.5172-60.6-66000111.2L216 K220 D241 G242 S243 T245L216-H239 PolarHBondContact O-CE1 3.48Å; K220-H239 HydrophobicContact CD-CB 3.83Å; K220-H239 HydrophobicContact CG-CB 4.29Å; H239-D241 WeakPolarHBondContact CB-OD1 3.34Å; H239-D241 PolarHBondContact O-N 3.01Å; H239-G242 PolarHBondContact O-N 2.91Å; H239-S243 PolarHBondContact CD2-OG 3.43Å; H239-S243 PolarHBondContact N-O 3.01Å; H239-T245 PolarHBondContact NE2-OG1 3.02Å
240E95.1Very high98Very high171 Ų17138.2 Ų38.280%0.79922%0.219SC*.THydrogen-bonded Turntrans-64.4-22.9-175.6-69.9159.1-145.500113.8R217 G242R217-E240 IonicContact NH2-OE1 3.6Å; R217-E240 PolarHBondContact NH2-OE1 3.21Å; E240-G242 PolarHBondContact O-N 3.35Å
241D95.8Very high98Very high97 Ų9737.9 Ų37.952%0.51922%0.218SC..THydrogen-bonded Turntrans-85.45.7175.656.116.8000113.1K220 H239 S243K220-D241 WeakPolarHBondContact CD-OD2 3.49Å; K220-D241 IonicContact NZ-OD1 2.62Å; K220-D241 IonicContact NZ-OD2 2.84Å; K220-D241 PolarHBondContact NZ-OD2 2.91Å; H239-D241 WeakPolarHBondContact CB-OD1 3.34Å; H239-D241 PolarHBondContact O-N 3.01Å; D241-S243 VanDerWaalsContact C-N 3.26Å; D241-S243 PolarHBondContact O-N 3.42Å; D241-S243 VanDerWaalsContact OD1-CB 3.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.41Å; D241-S243 PolarHBondContact OD1-N 3.19Å; D241-S243 PolarHBondContact OD1-OG 3.06Å
242G97.1Very high98Very high67 Ų6738.9 Ų38.969%0.69122%0.222SC*.SBendtrans81.6-2.7-178.500000114.4H239 E240H239-G242 PolarHBondContact O-N 2.91Å; E240-G242 PolarHBondContact O-N 3.35Å
243S97.6Very high97.9Very high43 Ų4336 Ų3630%0.30121%0.209SC..  trans-72.2159.9171.269.60000111.6H239 D241H239-S243 PolarHBondContact CD2-OG 3.43Å; H239-S243 PolarHBondContact N-O 3.01Å; D241-S243 VanDerWaalsContact C-N 3.26Å; D241-S243 PolarHBondContact O-N 3.42Å; D241-S243 VanDerWaalsContact OD1-CB 3.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.41Å; D241-S243 PolarHBondContact OD1-N 3.19Å; D241-S243 PolarHBondContact OD1-OG 3.06Å
244L98.2Very high97.6Very high85 Ų8537.9 Ų37.945%0.44522%0.22SC..EExtended strand (participates in β ladder)trans-125.6136.7-179.8-65.8165.3000109.8L236 V237 P238L236-L244 HydrophobicContact CD1-CB 4.07Å; L236-L244 HydrophobicContact CD1-CD1 4.37Å; L236-L244 HydrophobicContact CD1-CD2 4.42Å; L236-L244 HydrophobicContact CD2-CD1 4.24Å; L236-L244 HydrophobicContact CD2-CD2 4.23Å; L236-L244 HydrophobicContact CG-CD2 4.02Å; V237-L244 WeakPolarHBondContact O-CA 3.47Å; P238-L244 HydrophobicContact CB-CD2 4.02Å
245T98.7Very high97.2Very high0 Ų041.4 Ų41.40%024%0.24CC..EExtended strand (participates in β ladder)trans-100123.1163.4-61.90000109.7L216 P221 W224 V237 H239 F247L216-T245 HydrophobicContact CD1-CG2 3.74Å; P221-T245 HydrophobicContact CG-CG2 4.2Å; P221-T245 WeakPolarHBondContact O-CA 3.42Å; P221-T245 VanDerWaalsContact O-CB 3.23Å; P221-T245 WeakPolarHBondContact O-CB 3.31Å; P221-T245 VanDerWaalsContact O-CG2 3.27Å; P221-T245 WeakPolarHBondContact O-CG2 3.37Å; P221-T245 PolarHBondContact O-OG1 3.19Å; W224-T245 HydrophobicContact CB-CG2 3.69Å; V237-T245 PolarHBondContact N-O 2.94Å; V237-T245 PolarHBondContact O-N 3.08Å; H239-T245 PolarHBondContact NE2-OG1 3.02Å; T245-F247 PolarHBondContact O-N 2.86Å
246K98.7Very high96.9Very high58 Ų5852 Ų5225%0.25228%0.279SS..EExtended strand (participates in β ladder)trans-84.7105.6169.6-67.1172.6175.9-173.60108.6K222 Y223 W224 L236 L413K222-K246 PolarHBondContact O-N 2.8Å; Y223-K246 WeakPolarHBondContact CA-O 3.44Å; Y223-K246 HydrophobicContact CD1-CB 3.84Å; Y223-K246 HydrophobicContact CD1-CD 4.3Å; Y223-K246 HydrophobicContact CE1-CB 4.09Å; Y223-K246 HydrophobicContact CE1-CD 3.66Å; Y223-K246 HydrophobicContact CE1-CG 4.46Å; W224-K246 PolarHBondContact N-O 3.3Å; L236-K246 HydrophobicContact CD1-CG 3.85Å; K246-L413 HydrophobicContact CD-CD1 3.91Å; K246-L413 HydrophobicContact CG-CD1 4.42Å
247F98.8Very high96.7Very high4 Ų454.9 Ų54.92%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-90.3135.7177.3176.4-89.4000110.8W178 P179 I182 W224 A226 F233 A234 A235 T245 A249W178-F247 HydrophobicContact CD2-CE1 4.39Å; W178-F247 AromaticContact CD2-CZ 3.97Å; W178-F247 HydrophobicContact CD2-CZ 3.97Å; W178-F247 HydrophobicContact CE3-CZ 4.44Å; W178-F247 HydrophobicContact CG-CZ 4.02Å; P179-F247 HydrophobicContact CG-CE2 4.27Å; I182-F247 HydrophobicContact CD1-CB 4Å; I182-F247 HydrophobicContact CD1-CD1 4.43Å; I182-F247 HydrophobicContact CD1-CD2 4.08Å; I182-F247 HydrophobicContact CD1-CG 3.91Å; I182-F247 HydrophobicContact CG1-CB 4.21Å; I182-F247 HydrophobicContact CG1-CD1 3.7Å; I182-F247 HydrophobicContact CG1-CD2 3.76Å; I182-F247 HydrophobicContact CG1-CE1 3.95Å; I182-F247 HydrophobicContact CG1-CE2 4Å; I182-F247 HydrophobicContact CG1-CG 3.6Å; I182-F247 HydrophobicContact CG1-CZ 4.08Å; I182-F247 HydrophobicContact CG2-CE1 4.33Å; I182-F247 HydrophobicContact CG2-CZ 4.18Å; W224-F247 HydrophobicContact CB-CD2 3.93Å; W224-F247 AromaticContact CD1-CD2 3.45Å; W224-F247 VanDerWaalsContact CD1-CD2 3.45Å; W224-F247 AromaticContact CD1-CE2 3.47Å; W224-F247 VanDerWaalsContact CD1-CE2 3.47Å; W224-F247 AromaticContact CG-CD2 3.83Å; W224-F247 HydrophobicContact CG-CD2 3.83Å; W224-F247 HydrophobicContact CG-CE2 4.27Å; W224-F247 CarbonylContact O-C 3.46Å; W224-F247 WeakPolarHBondContact O-CA 3.44Å; A226-F247 HydrophobicContact CB-CE2 3.76Å; A226-F247 HydrophobicContact CB-CZ 3.78Å; F233-F247 HydrophobicContact CD1-CD1 4.15Å; F233-F247 AromaticContact CD1-CE1 3.89Å; F233-F247 HydrophobicContact CD1-CE1 3.89Å; A234-F247 WeakPolarHBondContact CA-O 3.08Å; A235-F247 HydrophobicContact CB-CB 4.1Å; A235-F247 HydrophobicContact CB-CD1 4.2Å; A235-F247 PolarHBondContact N-O 3.01Å; A235-F247 VanDerWaalsContact N-O 3.09Å; A235-F247 PolarHBondContact O-N 3.49Å; T245-F247 PolarHBondContact O-N 2.86Å; F247-A249 HydrophobicContact CE1-CB 3.64Å; F247-A249 HydrophobicContact CZ-CB 3.78Å
248L98.8Very high96.6Very high12 Ų1260.8 Ų60.86%0.06331%0.313CS..EExtended strand (participates in β ladder)trans-137.5119.9172.4177.767.3000109.9W224 F225 A226 L250 Q261 L263W224-L248 PolarHBondContact O-N 3.16Å; F225-L248 VanDerWaalsContact CA-O 3.32Å; F225-L248 WeakPolarHBondContact CA-O 3.44Å; F225-L248 HydrophobicContact CD1-CB 4.03Å; F225-L248 HydrophobicContact CE1-CB 4.37Å; A226-L248 PolarHBondContact N-O 2.63Å; L248-L250 HydrophobicContact CD1-CD2 4Å; L248-L250 HydrophobicContact CD2-CD1 4.42Å; L248-L250 HydrophobicContact CD2-CD2 4.32Å; L248-L250 HydrophobicContact CD2-CG 4.34Å; L248-L250 HydrophobicContact CG-CD2 4.18Å; L248-L250 HydrophobicContact CG-CG 4.19Å; L248-Q261 HydrophobicContact CD2-CB 4.2Å; L248-Q261 HydrophobicContact CD2-CG 4.31Å; L248-L263 HydrophobicContact CD2-CD1 4.13Å
249A98.7Very high96.6Very high0 Ų058.9 Ų58.90%030%0.297CS..EExtended strand (participates in β ladder)trans-107.1144.6163.800000110.9W178 A226 K232 F233 F247W178-A249 HydrophobicContact CD2-CB 4.36Å; W178-A249 HydrophobicContact CH2-CB 4.18Å; W178-A249 HydrophobicContact CZ2-CB 3.22Å; W178-A249 VanDerWaalsContact NE1-CB 3.33Å; A226-A249 HydrophobicContact CB-CB 4.41Å; A226-A249 VanDerWaalsContact O-CA 3.23Å; A226-A249 WeakPolarHBondContact O-CA 3.46Å; K232-A249 CarbonylContact C-O 3.58Å; K232-A249 VanDerWaalsContact CA-O 3.25Å; K232-A249 WeakPolarHBondContact CA-O 3.39Å; F233-A249 HydrophobicContact CB-CB 4.47Å; F233-A249 PolarHBondContact N-O 3.36Å; F233-A249 PolarHBondContact O-N 2.85Å; F247-A249 HydrophobicContact CE1-CB 3.64Å; F247-A249 HydrophobicContact CZ-CB 3.78Å
250L98.6Very high96.6Very high2 Ų260.1 Ų60.11%0.0130%0.302CS..  trans-123.5159.5-179.6-65.5176.1000111.9V7 A226 K232 L248 Q261V7-L250 HydrophobicContact CB-CD1 4.08Å; V7-L250 HydrophobicContact CG1-CD1 3.93Å; V7-L250 WeakPolarHBondContact O-CD1 3.28Å; A226-L250 PolarHBondContact O-N 3.01Å; K232-L250 HydrophobicContact CB-CD2 4.48Å; K232-L250 HydrophobicContact CD-CD2 4.28Å; K232-L250 HydrophobicContact CG-CD2 4.13Å; L248-L250 HydrophobicContact CD1-CD2 4Å; L248-L250 HydrophobicContact CD2-CD1 4.42Å; L248-L250 HydrophobicContact CD2-CD2 4.32Å; L248-L250 HydrophobicContact CD2-CG 4.34Å; L248-L250 HydrophobicContact CG-CD2 4.18Å; L248-L250 HydrophobicContact CG-CG 4.19Å; L250-Q261 HydrophobicContact CD1-CB 4.08Å; L250-Q261 HydrophobicContact CD2-CB 4.26Å
251D97.9Very high96.8Very high9 Ų953.6 Ų53.65%0.04827%0.272CS..  trans-76.9174.2-180-149.3-33.7000111.7G9 H230 R257 H258 Y259G9-D251 WeakPolarHBondContact CA-O 3.29Å; H230-D251 VanDerWaalsContact CA-OD1 3.29Å; H230-D251 WeakPolarHBondContact CA-OD1 3.28Å; H230-D251 WeakPolarHBondContact CB-OD1 3.45Å; D251-R257 HydrophobicContact CB-CB 4.09Å; D251-R257 WeakPolarHBondContact OD2-CD 3.38Å; D251-R257 IonicContact OD2-NH1 3.85Å; D251-R257 PolarHBondContact OD2-NH1 3.15Å; D251-H258 PolarHBondContact N-O 3.18Å; D251-Y259 WeakPolarHBondContact O-CA 3.31Å; D251-Y259 VanDerWaalsContact O-CB 3.24Å; D251-Y259 WeakPolarHBondContact O-CB 3.47Å
252K96.4Very high96.9Very high27 Ų2750.7 Ų50.712%0.11726%0.258CS..  trans-73150172.452.4176.9168.5-1740112.5C10 H230 L254 Y259 D393C10-K252 HydrophobicContact CB-CB 3.93Å; C10-K252 CarbonylContact O-C 3.54Å; C10-K252 WeakPolarHBondContact O-CA 3.41Å; H230-K252 HydrophobicContact CB-CG 4.3Å; K252-L254 VanDerWaalsContact C-N 3.32Å; K252-L254 HydrophobicContact CD-CD1 3.73Å; K252-L254 HydrophobicContact CD-CG 4.31Å; K252-L254 HydrophobicContact CG-CD1 3.86Å; K252-L254 HydrophobicContact CG-CG 4.14Å; K252-L254 PolarHBondContact O-N 3.45Å; K252-Y259 WeakPolarHBondContact O-CB 3.47Å; K252-D393 IonicContact NZ-OD1 2.66Å; K252-D393 PolarHBondContact NZ-OD1 3.28Å
253C95.7Very high97Very high2 Ų248.7 Ų48.71%0.01423%0.231CC..SBendtrans-62.685.2179.2-1680000112C10 E14 Y259C10-C253 PolarHBondContact O-N 3.23Å; E14-C253 HydrophobicContact CB-CB 4.06Å; E14-C253 HydrophobicContact CG-CB 4.48Å; C253-Y259 HydrophobicContact CB-CD2 3.96Å; C253-Y259 HydrophobicContact CB-CE2 4.36Å; C253-Y259 HydrophobicContact CB-CG 4.21Å; C253-Y259 VanDerWaalsContact SG-CE2 3.5Å
254L93.7Very high96.9Very high51 Ų5150.6 Ų50.627%0.26724%0.238SC..  trans-141.8156.3179.2-72.8-179.6000110.3K252 R256 R257K252-L254 VanDerWaalsContact C-N 3.32Å; K252-L254 HydrophobicContact CD-CD1 3.73Å; K252-L254 HydrophobicContact CD-CG 4.31Å; K252-L254 HydrophobicContact CG-CD1 3.86Å; K252-L254 HydrophobicContact CG-CG 4.14Å; K252-L254 PolarHBondContact O-N 3.45Å; L254-R256 PolarHBondContact O-N 3.12Å; L254-R257 HydrophobicContact CB-CB 4.44Å; L254-R257 HydrophobicContact CB-CG 3.81Å; L254-R257 WeakPolarHBondContact O-CB 3.41Å; L254-R257 PolarHBondContact O-N 2.79Å
255P89.8Confident96.9Very high103 Ų10346.6 Ų46.667%0.66922%0.217SC*.THydrogen-bonded Turntrans-56.5137.3178.1-25.534.4000112.7R257P255-R257 PolarHBondContact O-N 3.19Å
256R91.3Very high96.5Very high231 Ų23153.2 Ų53.287%0.87225%0.248SC*.THydrogen-bonded Turntrans61.420.6178.2-52175.7-69.6-178.8-3.1114.1L254L254-R256 PolarHBondContact O-N 3.12Å
257R95.4Very high95.9Very high110 Ų11051.1 Ų51.142%0.41524%0.24SC..SBendtrans-105.6150.3172.2-61.2-69.8-174.1160.4-5.4109.9D251 L254 P255 Y259D251-R257 HydrophobicContact CB-CB 4.09Å; D251-R257 WeakPolarHBondContact OD2-CD 3.38Å; D251-R257 IonicContact OD2-NH1 3.85Å; D251-R257 PolarHBondContact OD2-NH1 3.15Å; L254-R257 HydrophobicContact CB-CB 4.44Å; L254-R257 HydrophobicContact CB-CG 3.81Å; L254-R257 WeakPolarHBondContact O-CB 3.41Å; L254-R257 PolarHBondContact O-N 2.79Å; P255-R257 PolarHBondContact O-N 3.19Å; R257-Y259 VanDerWaalsContact C-N 3.29Å; R257-Y259 WeakPolarHBondContact O-CD1 3.41Å; R257-Y259 PolarHBondContact O-N 2.95Å; R257-Y259 VanDerWaalsContact O-N 3.08Å
258H96.7Very high94.8Very high123 Ų12354.8 Ų54.857%0.56927%0.266SS*.  trans-85.971.2176.7-64-74.6000110.1K232 D251K232-H258 HydrophobicContact CB-CB 3.72Å; K232-H258 HydrophobicContact CD-CB 3.82Å; K232-H258 HydrophobicContact CG-CB 4.35Å; D251-H258 PolarHBondContact N-O 3.18Å
259Y98Very high93.6Very high32 Ų3259.3 Ų59.313%0.12529%0.29CS..  trans-95-13.4-176.872.8-92.2000114V8 G9 I18 T21 D251 K252 C253 R257V8-Y259 CarbonylContact C-O 3.52Å; V8-Y259 VanDerWaalsContact CA-O 3.29Å; V8-Y259 WeakPolarHBondContact CA-O 3.48Å; V8-Y259 HydrophobicContact CG1-CD2 4.35Å; G9-Y259 PolarHBondContact N-O 3.25Å; I18-Y259 HydrophobicContact CG1-CE2 4.31Å; T21-Y259 PolarHBondContact OG1-OH 2.92Å; D251-Y259 WeakPolarHBondContact O-CA 3.31Å; D251-Y259 VanDerWaalsContact O-CB 3.24Å; D251-Y259 WeakPolarHBondContact O-CB 3.47Å; K252-Y259 WeakPolarHBondContact O-CB 3.47Å; C253-Y259 HydrophobicContact CB-CD2 3.96Å; C253-Y259 HydrophobicContact CB-CE2 4.36Å; C253-Y259 HydrophobicContact CB-CG 4.21Å; C253-Y259 VanDerWaalsContact SG-CE2 3.5Å; R257-Y259 VanDerWaalsContact C-N 3.29Å; R257-Y259 WeakPolarHBondContact O-CD1 3.41Å; R257-Y259 PolarHBondContact O-N 2.95Å; R257-Y259 VanDerWaalsContact O-N 3.08Å
260F98.3Very high92.3Very high35 Ų3565 Ų6515%0.15433%0.329CS..EExtended strand (participates in β ladder)trans-132.4134.2-173.5-163.3-73.2000110.2V7 V8 I18 T21 V22 L25 L33 L36 V262V7-F260 WeakPolarHBondContact O-CA 3.46Å; V8-F260 HydrophobicContact CG2-CD2 3.68Å; V8-F260 HydrophobicContact CG2-CE2 3.81Å; I18-F260 HydrophobicContact CG2-CE2 4.34Å; T21-F260 HydrophobicContact CG2-CD1 4.35Å; T21-F260 HydrophobicContact CG2-CD2 4.17Å; T21-F260 HydrophobicContact CG2-CE2 4.42Å; T21-F260 HydrophobicContact CG2-CG 4.15Å; V22-F260 HydrophobicContact CG2-CE2 4.15Å; V22-F260 HydrophobicContact CG2-CZ 4.11Å; L25-F260 HydrophobicContact CD1-CD1 4.36Å; L25-F260 HydrophobicContact CD1-CE1 3.6Å; L25-F260 HydrophobicContact CD1-CZ 4.03Å; L33-F260 HydrophobicContact CD1-CE1 4.46Å; L33-F260 HydrophobicContact CD1-CZ 3.84Å; L36-F260 HydrophobicContact CD1-CE2 3.58Å; L36-F260 HydrophobicContact CD1-CZ 3.74Å; F260-V262 HydrophobicContact CD1-CG2 4.44Å; F260-V262 HydrophobicContact CE1-CG2 3.77Å
261Q98.3Very high91.3Very high35 Ų3566.7 Ų66.716%0.16434%0.34CS..EExtended strand (participates in β ladder)trans-142.8134.8172.1-175.2163.4-28.200110.7V7 K232 L248 L250 L263V7-Q261 PolarHBondContact N-O 3.16Å; V7-Q261 PolarHBondContact O-N 2.72Å; K232-Q261 VanDerWaalsContact CE-OE1 3.3Å; L248-Q261 HydrophobicContact CD2-CB 4.2Å; L248-Q261 HydrophobicContact CD2-CG 4.31Å; L250-Q261 HydrophobicContact CD1-CB 4.08Å; L250-Q261 HydrophobicContact CD2-CB 4.26Å; Q261-L263 HydrophobicContact CG-CD2 4.2Å
262V98.4Very high90.2Very high36 Ų3672.5 Ų72.522%0.21838%0.376CS..EExtended strand (participates in β ladder)trans-90135.8172.6-178.20000108.8L25 I31 L33 F260L25-V262 HydrophobicContact CD1-CG2 3.7Å; L25-V262 HydrophobicContact CD2-CG2 4.38Å; I31-V262 HydrophobicContact CG2-CG1 4.07Å; I31-V262 HydrophobicContact CG2-CG2 4.38Å; L33-V262 HydrophobicContact CD2-CG1 3.9Å; L33-V262 HydrophobicContact CD2-CG2 4.13Å; F260-V262 HydrophobicContact CD1-CG2 4.44Å; F260-V262 HydrophobicContact CE1-CG2 3.77Å
263L98.2Very high89.5Confident24 Ų2476.3 Ų76.313%0.12639%0.394CS..EExtended strand (participates in β ladder)trans-130.3142.3176.5-61.5174.8000110.2V5 V7 F225 L248 Q261 L265V5-L263 PolarHBondContact N-O 3.35Å; V5-L263 PolarHBondContact O-N 2.92Å; V7-L263 HydrophobicContact CG2-CD1 3.87Å; F225-L263 HydrophobicContact CE1-CD1 3.51Å; F225-L263 HydrophobicContact CZ-CD1 3.49Å; F225-L263 VanDerWaalsContact CZ-CD1 3.49Å; L248-L263 HydrophobicContact CD2-CD1 4.13Å; Q261-L263 HydrophobicContact CG-CD2 4.2Å; L263-L265 HydrophobicContact CB-CD2 3.78Å; L263-L265 HydrophobicContact CB-CG 4.37Å; L263-L265 HydrophobicContact CD1-CD2 4.38Å
264D97Very high89.2Confident83 Ų8379.7 Ų79.744%0.44441%0.407SS..EExtended strand (participates in β ladder)trans-93.7108.2169.4-84.5-43.9000108.6T2 K4T2-D264 HydrophobicContact CG2-CB 3.58Å; K4-D264 WeakPolarHBondContact CG-OD1 3.34Å; K4-D264 VanDerWaalsContact NZ-CG 3.3Å; K4-D264 IonicContact NZ-OD1 2.74Å; K4-D264 PolarHBondContact NZ-OD1 3.49Å; K4-D264 IonicContact NZ-OD2 3.01Å; K4-D264 PolarHBondContact NZ-OD2 3.04Å
265L96.4Very high89.1Confident1 Ų182.3 Ų82.31%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-104.2123.7-176.9-53.9-169.2000110.9T2 L3 V5 L120 V172 Y223 F225 L263T2-L265 WeakPolarHBondContact CA-O 3.41Å; L3-L265 PolarHBondContact N-O 3.04Å; L3-L265 PolarHBondContact O-N 3.33Å; V5-L265 HydrophobicContact CB-CD1 4Å; V5-L265 HydrophobicContact CB-CG 4.2Å; V5-L265 HydrophobicContact CG1-CD1 4.37Å; V5-L265 HydrophobicContact CG2-CB 4.43Å; V5-L265 HydrophobicContact CG2-CD1 3.75Å; V5-L265 HydrophobicContact CG2-CG 3.97Å; L120-L265 HydrophobicContact CD1-CB 4.25Å; L120-L265 HydrophobicContact CD1-CD1 4.03Å; L120-L265 HydrophobicContact CD2-CB 4.09Å; V172-L265 HydrophobicContact CG2-CD1 3.7Å; Y223-L265 HydrophobicContact CD1-CD2 4.14Å; Y223-L265 HydrophobicContact CD2-CD2 3.95Å; Y223-L265 HydrophobicContact CE1-CD2 3.88Å; Y223-L265 HydrophobicContact CE2-CD2 3.69Å; Y223-L265 HydrophobicContact CG-CD2 4.18Å; F225-L265 HydrophobicContact CE2-CD1 4.36Å; F225-L265 HydrophobicContact CZ-CD1 4.36Å; L263-L265 HydrophobicContact CB-CD2 3.78Å; L263-L265 HydrophobicContact CB-CG 4.37Å; L263-L265 HydrophobicContact CD1-CD2 4.38Å
266E92.1Very high89.5Confident139 Ų13977.7 Ų77.765%0.6539%0.387SS*.EExtended strand (participates in β ladder)trans-72.6130.3174.7-64-174.2167.400111.5
267T86.2Confident89.7Confident15 Ų1568.1 Ų68.19%0.09236%0.356CS..  trans-97.2144.2-179.870.40000111.9M1 L3 G118 L120 L269M1-T267 WeakPolarHBondContact CB-OG1 3.18Å; M1-T267 PolarHBondContact O-N 3.48Å; M1-T267 PolarHBondContact O-OG1 3.07Å; L3-T267 HydrophobicContact CB-CG2 4.44Å; L3-T267 HydrophobicContact CD1-CG2 3.68Å; L3-T267 HydrophobicContact CD2-CG2 4.47Å; L3-T267 HydrophobicContact CG-CG2 3.53Å; G118-T267 WeakPolarHBondContact O-CG2 3.36Å; L120-T267 HydrophobicContact CD2-CG2 4.1Å; L120-T267 HydrophobicContact CG-CG2 4.05Å; T267-L269 VanDerWaalsContact C-N 3.28Å; T267-L269 PolarHBondContact O-N 3.25Å; T267-L269 PolarHBondContact OG1-O 2.9Å
268S73.9Confident89.9Confident81 Ų8164.1 Ų64.157%0.56634%0.341SS*.SBendtrans-69.3-26.4176.762.30000113.2G119G119-S268 PolarHBondContact O-OG 2.93Å
269L74.4Confident89.9Confident106 Ų10658.5 Ų58.556%0.55532%0.315SS*.SBendtrans-116.6134.9-176.8-62.3173.5000111.3T267 T271T267-L269 VanDerWaalsContact C-N 3.28Å; T267-L269 PolarHBondContact O-N 3.25Å; T267-L269 PolarHBondContact OG1-O 2.9Å; L269-T271 VanDerWaalsContact C-N 3.31Å; L269-T271 PolarHBondContact O-N 3.24Å; L269-T271 VanDerWaalsContact O-N 3.09Å
270S72.3Confident89.9Confident120 Ų12058 Ų5884%0.83932%0.316SS*.  trans-81.279.1168.4-179.10000109.5
271T76.8Confident89.9Confident38 Ų3856.5 Ų56.523%0.23331%0.309CS..  trans-119.5137.9174-175.60000111.4L269 E273 R274L269-T271 VanDerWaalsContact C-N 3.31Å; L269-T271 PolarHBondContact O-N 3.24Å; L269-T271 VanDerWaalsContact O-N 3.09Å; T271-E273 VanDerWaalsContact OG1-CB 3.26Å; T271-E273 WeakPolarHBondContact OG1-CB 3.5Å; T271-E273 PolarHBondContact OG1-N 3.01Å; T271-R274 PolarHBondContact O-NH1 3.5Å
272T75.6Confident90Very high130 Ų13055 Ų5580%0.79830%0.302SS*.  trans-82.4-7.2169.854.40000112.1
273E81.5Confident90Very high108 Ų10853.3 Ų53.351%0.50529%0.292SS..  trans-69.4133179.6-166.1169-16500110.5G118 T271 Q275G118-E273 WeakPolarHBondContact CA-O 3.45Å; T271-E273 VanDerWaalsContact OG1-CB 3.26Å; T271-E273 WeakPolarHBondContact OG1-CB 3.5Å; T271-E273 PolarHBondContact OG1-N 3.01Å; E273-Q275 HydrophobicContact CG-CB 4.14Å; E273-Q275 HydrophobicContact CG-CG 4.2Å
274R88.8Confident90Very high72 Ų7252.3 Ų52.327%0.27229%0.286SS..  trans-124.239.4179.5-64.3-65.2-178.9-86.41.8110.5M1 L3 D34 F117 T271M1-R274 PolarHBondContact SD-NH2 2.94Å; L3-R274 VanDerWaalsContact CD2-NE 3.27Å; D34-R274 IonicContact OD1-CZ 2.71Å; D34-R274 IonicContact OD1-NE 3.79Å; D34-R274 PolarHBondContact OD1-NE 3.24Å; D34-R274 IonicContact OD1-NH2 3.45Å; F117-R274 HydrophobicContact CE2-CB 4.22Å; F117-R274 VanDerWaalsContact CE2-O 3.3Å; F117-R274 WeakPolarHBondContact CE2-O 3.33Å; F117-R274 HydrophobicContact CZ-CB 4.11Å; T271-R274 PolarHBondContact O-NH1 3.5Å
275Q92.4Very high90.1Very high107 Ų10748.3 Ų48.350%0.527%0.265SS..  trans-102140.9176.1-64.2-169.48.800109.7E273E273-Q275 HydrophobicContact CG-CB 4.14Å; E273-Q275 HydrophobicContact CG-CG 4.2Å
276L97.1Very high90.2Very high5 Ų548.4 Ų48.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-72136.2170.8-169.265.2000108.4L79 L81 W101 F107 L115 F117 I333L79-L276 HydrophobicContact CD2-CB 4.12Å; L79-L276 HydrophobicContact CD2-CD1 4.48Å; L81-L276 HydrophobicContact CD1-CD1 4.2Å; L81-L276 HydrophobicContact CD2-CD1 3.88Å; L81-L276 HydrophobicContact CD2-CD2 3.85Å; W101-L276 HydrophobicContact CH2-CB 4.47Å; W101-L276 HydrophobicContact CH2-CD2 3.89Å; W101-L276 HydrophobicContact CZ2-CD2 4.12Å; F107-L276 HydrophobicContact CB-CD2 3.93Å; F107-L276 HydrophobicContact CD1-CD2 3.97Å; F107-L276 HydrophobicContact CD2-CD2 3.69Å; F107-L276 HydrophobicContact CE1-CD2 4.43Å; F107-L276 HydrophobicContact CE2-CD2 4.18Å; F107-L276 HydrophobicContact CG-CD2 3.58Å; L115-L276 HydrophobicContact CB-CD1 4.07Å; L115-L276 HydrophobicContact CD1-CD1 4.19Å; L115-L276 HydrophobicContact CD1-CD2 4.41Å; F117-L276 HydrophobicContact CB-CD1 4.29Å; L276-I333 HydrophobicContact CD2-CD1 4.2Å; L276-I333 HydrophobicContact CG-CD1 4.1Å; L276-I333 PolarHBondContact O-N 2.98Å
277S96.9Very high90.4Very high31 Ų3145.3 Ų45.322%0.21725%0.248CC..EExtended strand (participates in β ladder)trans-139.7149.5179.652.70000112.1N116 F331N116-S277 WeakPolarHBondContact CB-OG 3.3Å; N116-S277 PolarHBondContact N-O 2.98Å; N116-S277 PolarHBondContact O-N 3.27Å; N116-S277 PolarHBondContact O-OG 2.79Å; S277-F331 CarbonylContact C-O 3.56Å; S277-F331 WeakPolarHBondContact CA-O 3.3Å; S277-F331 VanDerWaalsContact CB-O 3.26Å; S277-F331 WeakPolarHBondContact CB-O 3.48Å
278Y98.1Very high90.9Very high26 Ų2647.2 Ų47.210%0.10226%0.255CS..EExtended strand (participates in β ladder)trans-67145.6173-66.8-64.7000111L115 P280 L283 F327 F331 I333 F357L115-Y278 HydrophobicContact CD2-CD1 4.23Å; Y278-P280 WeakPolarHBondContact O-CD 3.2Å; Y278-L283 HydrophobicContact CD1-CD2 4.28Å; Y278-L283 HydrophobicContact CG-CD1 4.3Å; Y278-L283 HydrophobicContact CG-CD2 4.31Å; Y278-F327 HydrophobicContact CD2-CD1 4.49Å; Y278-F327 AromaticContact CD2-CE1 3.74Å; Y278-F327 HydrophobicContact CD2-CE1 3.74Å; Y278-F327 HydrophobicContact CD2-CZ 4.43Å; Y278-F327 HydrophobicContact CE2-CE1 4.08Å; Y278-F331 PolarHBondContact N-O 3.04Å; Y278-I333 HydrophobicContact CD1-CD1 3.48Å; Y278-I333 VanDerWaalsContact CD1-CD1 3.48Å; Y278-I333 HydrophobicContact CD1-CG1 4.11Å; Y278-I333 HydrophobicContact CD2-CD1 3.99Å; Y278-I333 HydrophobicContact CD2-CG1 3.64Å; Y278-I333 HydrophobicContact CE1-CD1 3.41Å; Y278-I333 VanDerWaalsContact CE1-CD1 3.41Å; Y278-I333 HydrophobicContact CE1-CG1 4.02Å; Y278-I333 HydrophobicContact CE2-CD1 3.95Å; Y278-I333 HydrophobicContact CE2-CG1 3.56Å; Y278-I333 HydrophobicContact CG-CD1 3.77Å; Y278-I333 HydrophobicContact CG-CG1 3.92Å; Y278-F357 HydrophobicContact CD1-CE2 4.1Å; Y278-F357 HydrophobicContact CE1-CD2 4.04Å; Y278-F357 AromaticContact CE1-CE2 3.63Å; Y278-F357 HydrophobicContact CE1-CE2 3.63Å; Y278-F357 HydrophobicContact CE2-CD2 4.34Å; Y278-F357 HydrophobicContact CE2-CE2 4.34Å; Y278-F357 AromaticContact CZ-CD2 3.75Å; Y278-F357 AromaticContact CZ-CE2 3.78Å
279D98Very high92Very high5 Ų543.4 Ų43.43%0.02723%0.228CC..  trans-84.9119.7172.2-174.6-93.9000111.5V114 N116 R121 E281 W282 L283V114-D279 HydrophobicContact CB-CB 3.92Å; V114-D279 HydrophobicContact CG1-CB 3.83Å; V114-D279 WeakPolarHBondContact O-CB 3.42Å; V114-D279 PolarHBondContact O-N 3.43Å; N116-D279 WeakPolarHBondContact ND2-CA 3.26Å; N116-D279 WeakPolarHBondContact ND2-CB 3.25Å; N116-D279 PolarHBondContact ND2-OD2 3.04Å; R121-D279 IonicContact CZ-OD1 3.38Å; R121-D279 IonicContact CZ-OD2 3.32Å; R121-D279 IonicContact NE-OD1 3.5Å; R121-D279 IonicContact NE-OD2 2.84Å; R121-D279 PolarHBondContact NE-OD2 3.42Å; R121-D279 IonicContact NH2-OD1 3.96Å; R121-D279 PolarHBondContact NH2-OD1 2.93Å; R121-D279 IonicContact NH2-OD2 3.98Å; R121-D279 PolarHBondContact NH2-OD2 2.96Å; D279-E281 VanDerWaalsContact C-N 3.31Å; D279-E281 PolarHBondContact O-N 2.76Å; D279-E281 WeakPolarHBondContact OD1-CB 3.48Å; D279-E281 PolarHBondContact OD1-N 3.12Å; D279-E281 VanDerWaalsContact OD1-N 3.14Å; D279-W282 HydrophobicContact CB-CB 3.94Å; D279-W282 PolarHBondContact O-N 2.9Å; D279-W282 PolarHBondContact OD1-N 3.05Å; D279-L283 WeakPolarHBondContact O-CG 3.45Å; D279-L283 PolarHBondContact O-N 3.29Å
280P98.1Very high93Very high21 Ų2139.4 Ų39.414%0.13621%0.208CC..Hα-helixtrans-63.1-32.8-176.7-2534.9000114.1Y278 S284 I320 V323 F331Y278-P280 WeakPolarHBondContact O-CD 3.2Å; P280-S284 PolarHBondContact O-N 3.47Å; P280-S284 VanDerWaalsContact O-N 3.08Å; P280-S284 PolarHBondContact O-OG 3.22Å; P280-S284 VanDerWaalsContact O-OG 3.07Å; P280-I320 HydrophobicContact CB-CG2 4.19Å; P280-V323 HydrophobicContact CB-CG1 4.4Å; P280-F331 HydrophobicContact CB-CE1 4.2Å; P280-F331 HydrophobicContact CB-CE2 4.41Å; P280-F331 HydrophobicContact CB-CZ 3.92Å; P280-F331 HydrophobicContact CG-CD1 4.21Å; P280-F331 HydrophobicContact CG-CD2 3.97Å; P280-F331 HydrophobicContact CG-CE1 3.93Å; P280-F331 HydrophobicContact CG-CE2 3.65Å; P280-F331 HydrophobicContact CG-CG 4.21Å; P280-F331 HydrophobicContact CG-CZ 3.6Å
281E98.4Very high94.1Very high4 Ų439.1 Ų39.12%0.01919%0.192CC..Hα-helixtrans-67.4-43.5176.6172.8179.6-126.800110.1R121 L166 V167 K168 D279 S284 I285 A315R121-E281 IonicContact CZ-OE2 3.73Å; R121-E281 IonicContact NH1-OE2 2.91Å; R121-E281 IonicContact NH2-OE2 3.67Å; R121-E281 PolarHBondContact NH2-OE2 2.82Å; L166-E281 HydrophobicContact CD2-CG 4.26Å; V167-E281 WeakPolarHBondContact CB-OE1 3.39Å; V167-E281 PolarHBondContact N-OE1 3.5Å; K168-E281 WeakPolarHBondContact CB-OE2 3.38Å; K168-E281 PolarHBondContact N-OE1 3.3Å; K168-E281 PolarHBondContact N-OE2 3.48Å; D279-E281 VanDerWaalsContact C-N 3.31Å; D279-E281 PolarHBondContact O-N 2.76Å; D279-E281 WeakPolarHBondContact OD1-CB 3.48Å; D279-E281 PolarHBondContact OD1-N 3.12Å; D279-E281 VanDerWaalsContact OD1-N 3.14Å; E281-S284 WeakPolarHBondContact O-CB 3.5Å; E281-S284 PolarHBondContact O-N 3.14Å; E281-I285 HydrophobicContact CG-CD1 3.92Å; E281-I285 VanDerWaalsContact O-CG1 3.31Å; E281-I285 WeakPolarHBondContact O-CG1 3.48Å; E281-I285 PolarHBondContact O-N 3.19Å; E281-A315 HydrophobicContact CG-CB 4.07Å
282W98.7Very high94.9Very high4 Ų438.6 Ų38.62%0.01519%0.188CC..Hα-helixtrans-61.6-45.3175.2178.9-113.8000113.3A112 N113 V114 R162 L163 L166 D279 S284 I285 L286A112-W282 HydrophobicContact CB-CH2 4.01Å; A112-W282 HydrophobicContact CB-CZ2 4.19Å; A112-W282 WeakPolarHBondContact O-CZ2 3.38Å; N113-W282 PolarHBondContact OD1-NE1 3.29Å; V114-W282 HydrophobicContact CB-CB 3.79Å; V114-W282 HydrophobicContact CB-CD2 4.4Å; V114-W282 HydrophobicContact CB-CG 4Å; V114-W282 HydrophobicContact CG2-CB 4.09Å; V114-W282 HydrophobicContact CG2-CD2 4.01Å; V114-W282 HydrophobicContact CG2-CE3 3.86Å; V114-W282 HydrophobicContact CG2-CG 4.12Å; R162-W282 HydrophobicContact CB-CH2 3.68Å; R162-W282 HydrophobicContact CB-CZ3 3.68Å; L163-W282 HydrophobicContact CD2-CE3 4.49Å; L163-W282 HydrophobicContact CD2-CH2 4.07Å; L163-W282 HydrophobicContact CD2-CZ3 3.77Å; L163-W282 HydrophobicContact CG-CH2 4.15Å; L163-W282 HydrophobicContact CG-CZ3 4.03Å; L166-W282 HydrophobicContact CD2-CE3 4.34Å; D279-W282 HydrophobicContact CB-CB 3.94Å; D279-W282 PolarHBondContact O-N 2.9Å; D279-W282 PolarHBondContact OD1-N 3.05Å; W282-S284 VanDerWaalsContact C-N 3.29Å; W282-S284 PolarHBondContact O-N 3.06Å; W282-I285 WeakPolarHBondContact O-CB 3.31Å; W282-I285 PolarHBondContact O-N 2.92Å; W282-I285 VanDerWaalsContact O-N 3.14Å; W282-L286 HydrophobicContact CD2-CG 4.48Å; W282-L286 HydrophobicContact CH2-CD2 4.49Å; W282-L286 HydrophobicContact CZ2-CD2 3.83Å; W282-L286 HydrophobicContact CZ2-CG 4.38Å; W282-L286 WeakPolarHBondContact O-CG 3.44Å; W282-L286 PolarHBondContact O-N 2.9Å
283L98.7Very high95.9Very high0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-59.7-39.9176.1-67.4-177.5000112Y278 D279 L286 R287 V323 F327 F331 F357 L361Y278-L283 HydrophobicContact CD1-CD2 4.28Å; Y278-L283 HydrophobicContact CG-CD1 4.3Å; Y278-L283 HydrophobicContact CG-CD2 4.31Å; D279-L283 WeakPolarHBondContact O-CG 3.45Å; D279-L283 PolarHBondContact O-N 3.29Å; L283-L286 HydrophobicContact CD2-CD1 4.46Å; L283-L286 PolarHBondContact O-N 3.45Å; L283-R287 PolarHBondContact O-N 3.42Å; L283-R287 VanDerWaalsContact O-N 3.16Å; L283-V323 HydrophobicContact CB-CG1 3.74Å; L283-V323 HydrophobicContact CB-CG2 4.3Å; L283-V323 HydrophobicContact CD1-CG1 3.77Å; L283-V323 HydrophobicContact CG-CG1 4.43Å; L283-F327 HydrophobicContact CD1-CD2 4.13Å; L283-F327 HydrophobicContact CD1-CE1 4.23Å; L283-F327 HydrophobicContact CD1-CE2 3.65Å; L283-F327 HydrophobicContact CD1-CZ 3.7Å; L283-F331 HydrophobicContact CD1-CD1 3.89Å; L283-F331 HydrophobicContact CD1-CE1 3.87Å; L283-F357 HydrophobicContact CD2-CE2 3.69Å; L283-F357 HydrophobicContact CD2-CZ 3.62Å; L283-L361 HydrophobicContact CB-CD1 4.05Å; L283-L361 HydrophobicContact CD2-CD1 4.46Å; L283-L361 HydrophobicContact CD2-CD2 4.05Å
284S98.5Very high96.5Very high2 Ų229.5 Ų29.51%0.01414%0.14CC..Hα-helixtrans-63.2-44.3173.8-66.50000111.7P280 E281 W282 L286 R287 K288 A315 D319 I320 V323P280-S284 PolarHBondContact O-N 3.47Å; P280-S284 VanDerWaalsContact O-N 3.08Å; P280-S284 PolarHBondContact O-OG 3.22Å; P280-S284 VanDerWaalsContact O-OG 3.07Å; E281-S284 WeakPolarHBondContact O-CB 3.5Å; E281-S284 PolarHBondContact O-N 3.14Å; W282-S284 VanDerWaalsContact C-N 3.29Å; W282-S284 PolarHBondContact O-N 3.06Å; S284-L286 VanDerWaalsContact C-N 3.33Å; S284-L286 PolarHBondContact O-N 3.4Å; S284-R287 PolarHBondContact O-N 3.43Å; S284-K288 WeakPolarHBondContact O-CG 3.34Å; S284-K288 PolarHBondContact O-N 2.9Å; S284-A315 VanDerWaalsContact CB-CB 3.48Å; S284-D319 VanDerWaalsContact OG-C 3.24Å; S284-D319 PolarHBondContact OG-O 2.77Å; S284-I320 PolarHBondContact OG-N 3.35Å; S284-V323 WeakPolarHBondContact OG-CG2 3.07Å
285I98.4Very high96.8Very high0 Ų027.8 Ų27.80%014%0.138CC..Hα-helixtrans-60.7-42.5176.5-69.3160.2000111R162 Q165 L166 E281 W282 R287 K288 T289R162-I285 HydrophobicContact CB-CG2 3.87Å; R162-I285 HydrophobicContact CG-CG2 4.04Å; Q165-I285 HydrophobicContact CB-CD1 3.85Å; Q165-I285 HydrophobicContact CB-CG1 3.96Å; Q165-I285 HydrophobicContact CB-CG2 4.14Å; Q165-I285 HydrophobicContact CG-CG2 4.32Å; L166-I285 HydrophobicContact CD2-CD1 3.65Å; L166-I285 HydrophobicContact CG-CD1 4.27Å; E281-I285 HydrophobicContact CG-CD1 3.92Å; E281-I285 VanDerWaalsContact O-CG1 3.31Å; E281-I285 WeakPolarHBondContact O-CG1 3.48Å; E281-I285 PolarHBondContact O-N 3.19Å; W282-I285 WeakPolarHBondContact O-CB 3.31Å; W282-I285 PolarHBondContact O-N 2.92Å; W282-I285 VanDerWaalsContact O-N 3.14Å; I285-R287 VanDerWaalsContact C-N 3.34Å; I285-R287 PolarHBondContact O-N 2.99Å; I285-K288 PolarHBondContact O-N 3.28Å; I285-T289 HydrophobicContact CG2-CG2 4.28Å; I285-T289 WeakPolarHBondContact O-CB 3.2Å; I285-T289 WeakPolarHBondContact O-CG2 3.4Å; I285-T289 PolarHBondContact O-N 2.95Å; I285-T289 PolarHBondContact O-OG1 3.12Å
286L98.5Very high96.9Very high2 Ų224.4 Ų24.41%0.0113%0.126CC..Hα-helixtrans-57.3-46.7175.6-71.3-179.4000111.4Y98 W282 L283 S284 T289 D290 F357 L361Y98-L286 HydrophobicContact CD1-CD1 4.27Å; Y98-L286 HydrophobicContact CD1-CD2 4.32Å; Y98-L286 HydrophobicContact CE1-CD2 4.34Å; W282-L286 HydrophobicContact CD2-CG 4.48Å; W282-L286 HydrophobicContact CH2-CD2 4.49Å; W282-L286 HydrophobicContact CZ2-CD2 3.83Å; W282-L286 HydrophobicContact CZ2-CG 4.38Å; W282-L286 WeakPolarHBondContact O-CG 3.44Å; W282-L286 PolarHBondContact O-N 2.9Å; L283-L286 HydrophobicContact CD2-CD1 4.46Å; L283-L286 PolarHBondContact O-N 3.45Å; S284-L286 VanDerWaalsContact C-N 3.33Å; S284-L286 PolarHBondContact O-N 3.4Å; L286-T289 PolarHBondContact O-N 3.44Å; L286-D290 PolarHBondContact O-N 3.04Å; L286-F357 HydrophobicContact CD1-CE1 4.13Å; L286-F357 HydrophobicContact CD1-CZ 3.93Å; L286-L361 HydrophobicContact CB-CD2 4.02Å; L286-L361 HydrophobicContact CD1-CD2 4.12Å
287R97.8Very high96.7Very high75 Ų7527.3 Ų27.328%0.28315%0.145SC..Hα-helixtrans-61-48176.3-71.9-17965.1-146.6-6.5112.3L283 S284 I285 T289 D290 E322 L361 I363L283-R287 PolarHBondContact O-N 3.42Å; L283-R287 VanDerWaalsContact O-N 3.16Å; S284-R287 PolarHBondContact O-N 3.43Å; I285-R287 VanDerWaalsContact C-N 3.34Å; I285-R287 PolarHBondContact O-N 2.99Å; R287-T289 VanDerWaalsContact C-N 3.27Å; R287-T289 PolarHBondContact O-N 3.07Å; R287-D290 PolarHBondContact O-N 3.28Å; R287-E322 IonicContact CZ-OE2 3.27Å; R287-E322 VanDerWaalsContact CZ-OE2 3.27Å; R287-E322 IonicContact NH1-OE2 3.67Å; R287-E322 PolarHBondContact NH1-OE2 3.31Å; R287-E322 IonicContact NH2-OE2 2.8Å; R287-E322 PolarHBondContact NH2-OE2 3.06Å; R287-L361 HydrophobicContact CG-CD1 3.73Å; R287-L361 HydrophobicContact CG-CD2 4.31Å; R287-L361 HydrophobicContact CG-CG 3.65Å; R287-L361 WeakPolarHBondContact CG-O 3.45Å; R287-I363 HydrophobicContact CB-CG2 4.5Å; R287-I363 HydrophobicContact CG-CG2 3.99Å
288K96.1Very high96.5Very high55 Ų5532.7 Ų32.724%0.23917%0.167CC..Hα-helixtrans-64.8-32.3-177.5-69-178.284151.30112.9S284 I285 H291 F313 A314 D319S284-K288 WeakPolarHBondContact O-CG 3.34Å; S284-K288 PolarHBondContact O-N 2.9Å; I285-K288 PolarHBondContact O-N 3.28Å; K288-H291 PolarHBondContact O-CE1 3.38Å; K288-H291 PolarHBondContact O-ND1 3.06Å; K288-F313 HydrophobicContact CB-CD1 4.38Å; K288-A314 PolarHBondContact NZ-O 2.96Å; K288-D319 WeakPolarHBondContact CD-OD2 3.46Å; K288-D319 WeakPolarHBondContact CE-OD2 3.02Å; K288-D319 IonicContact NZ-OD2 3.29Å; K288-D319 PolarHBondContact NZ-OD2 3.3Å
289T96Very high95.9Very high0 Ų035.1 Ų35.10%019%0.188CC..THydrogen-bonded Turntrans-102.37.5-176.362.20000113.3L161 R162 I285 L286 R287 H291 L292 F313L161-T289 HydrophobicContact CD2-CG2 3.92Å; R162-T289 HydrophobicContact CG-CG2 4.22Å; R162-T289 VanDerWaalsContact CG-OG1 3.32Å; R162-T289 WeakPolarHBondContact CG-OG1 3.46Å; R162-T289 PolarHBondContact NE-OG1 2.92Å; R162-T289 PolarHBondContact NH2-O 3.08Å; I285-T289 HydrophobicContact CG2-CG2 4.28Å; I285-T289 WeakPolarHBondContact O-CB 3.2Å; I285-T289 WeakPolarHBondContact O-CG2 3.4Å; I285-T289 PolarHBondContact O-N 2.95Å; I285-T289 PolarHBondContact O-OG1 3.12Å; L286-T289 PolarHBondContact O-N 3.44Å; R287-T289 VanDerWaalsContact C-N 3.27Å; R287-T289 PolarHBondContact O-N 3.07Å; T289-H291 VanDerWaalsContact C-N 3.32Å; T289-H291 PolarHBondContact O-N 3.02Å; T289-L292 HydrophobicContact CG2-CD1 4.32Å; T289-L292 WeakPolarHBondContact O-CB 3.29Å; T289-L292 PolarHBondContact O-N 3.24Å; T289-L292 VanDerWaalsContact O-N 3.1Å; T289-F313 HydrophobicContact CG2-CB 3.74Å; T289-F313 HydrophobicContact CG2-CD1 4.13Å; T289-F313 HydrophobicContact CG2-CD2 4.18Å; T289-F313 HydrophobicContact CG2-CG 3.77Å
290D97.3Very high94.7Very high23 Ų2337.4 Ų37.412%0.12320%0.202CC..G310 helixtrans-60.6-41.8-177.6-177.763000112.2L286 R287 L292 L293 I363 Q364L286-D290 PolarHBondContact O-N 3.04Å; R287-D290 PolarHBondContact O-N 3.28Å; D290-L292 PolarHBondContact O-N 2.96Å; D290-L293 WeakPolarHBondContact O-CB 3.49Å; D290-L293 PolarHBondContact O-N 3.38Å; D290-I363 HydrophobicContact CB-CB 4.25Å; D290-I363 HydrophobicContact CB-CG2 4.01Å; D290-I363 WeakPolarHBondContact OD1-CB 3.45Å; D290-Q364 PolarHBondContact O-NE2 3.17Å; D290-Q364 WeakPolarHBondContact OD1-CB 3.45Å; D290-Q364 PolarHBondContact OD1-N 2.77Å; D290-Q364 WeakPolarHBondContact OD2-CG 3.18Å; D290-Q364 PolarHBondContact OD2-N 2.94Å; D290-Q364 PolarHBondContact OD2-NE2 2.79Å
291H94.4Very high93.1Very high113 Ų11342.7 Ų42.752%0.52323%0.225SC..G310 helixtrans-61.5-13.4177.369.9-81.6000114.5K288 T289 F313K288-H291 PolarHBondContact O-CE1 3.38Å; K288-H291 PolarHBondContact O-ND1 3.06Å; T289-H291 VanDerWaalsContact C-N 3.32Å; T289-H291 PolarHBondContact O-N 3.02Å; H291-F313 AromaticContact CE1-CE1 3.77Å
292L94.5Very high91.2Very high28 Ų2844.7 Ų44.715%0.14724%0.238CC..G310 helixtrans-87.9-7.7175.7-56.2178.6000112.8L158 L161 T289 D290 S294 C304 F313L158-L292 HydrophobicContact CD1-CB 3.77Å; L161-L292 HydrophobicContact CD1-CD1 4.32Å; L161-L292 HydrophobicContact CD2-CD1 4.16Å; T289-L292 HydrophobicContact CG2-CD1 4.32Å; T289-L292 WeakPolarHBondContact O-CB 3.29Å; T289-L292 PolarHBondContact O-N 3.24Å; T289-L292 VanDerWaalsContact O-N 3.1Å; D290-L292 PolarHBondContact O-N 2.96Å; L292-S294 PolarHBondContact O-N 3.29Å; L292-C304 HydrophobicContact CD2-CB 3.98Å; L292-F313 HydrophobicContact CD1-CE2 3.84Å; L292-F313 HydrophobicContact CD1-CZ 3.9Å
293L95.6Very high88.9Confident19 Ų1949.7 Ų49.710%0.09927%0.274CS..  trans-62.1122.4175.8-176.367.6000109.9L158 D290 Q364 L366 L369L158-L293 HydrophobicContact CD2-CB 4.39Å; L158-L293 HydrophobicContact CD2-CD1 3.74Å; D290-L293 WeakPolarHBondContact O-CB 3.49Å; D290-L293 PolarHBondContact O-N 3.38Å; L293-Q364 HydrophobicContact CD2-CB 3.66Å; L293-L366 HydrophobicContact CD1-CD1 4.22Å; L293-L366 HydrophobicContact CD2-CB 4.22Å; L293-L366 HydrophobicContact CD2-CD1 4.44Å; L293-L369 HydrophobicContact CD2-CD1 3.81Å
294S94.6Very high86.4Confident28 Ų2852 Ų5220%0.19629%0.289CS..  trans-121.4136.6179173.90000110.1G137 H138 L292 S296G137-S294 CarbonylContact C-O 3.33Å; G137-S294 WeakPolarHBondContact CA-O 3.35Å; H138-S294 PolarHBondContact N-O 3.16Å; L292-S294 PolarHBondContact O-N 3.29Å; S294-S296 PolarHBondContact OG-N 3.42Å; S294-S296 VanDerWaalsContact OG-N 3.16Å
295T95.8Very high84Confident36 Ų3654.8 Ų54.822%0.22131%0.312CS..  trans-102.811.2169.562.60000113.1H138 F139 L366 L369 L370 N373H138-T295 WeakPolarHBondContact O-CA 3.43Å; F139-T295 WeakPolarHBondContact CB-O 3.48Å; T295-L366 HydrophobicContact CG2-CD1 3.86Å; T295-L369 HydrophobicContact CG2-CB 4.09Å; T295-L369 HydrophobicContact CG2-CD1 4.49Å; T295-L370 HydrophobicContact CG2-CD2 3.94Å; T295-L370 HydrophobicContact CG2-CG 4.15Å; T295-N373 PolarHBondContact OG1-ND2 2.9Å
296S93.8Very high81.6Confident36 Ų3660.3 Ų60.325%0.25234%0.34SS..  trans-78.6134.9-179.1-175.20000111.2G137 S294 E298G137-S296 VanDerWaalsContact CA-O 3.27Å; G137-S296 WeakPolarHBondContact CA-O 3.47Å; G137-S296 PolarHBondContact N-O 3.14Å; S294-S296 PolarHBondContact OG-N 3.42Å; S294-S296 VanDerWaalsContact OG-N 3.16Å; S296-E298 PolarHBondContact O-N 3.46Å; S296-E298 WeakPolarHBondContact OG-CB 3.48Å; S296-E298 PolarHBondContact OG-N 2.97Å; S296-E298 VanDerWaalsContact OG-N 3.13Å
297P93.1Very high79.5Confident65 Ų6566.7 Ų66.742%0.42238%0.382SS..SBendtrans-72.9-10.816932.2-35.4000112.8R136 F139R136-P297 WeakPolarHBondContact CD-O 3.37Å; R136-P297 WeakPolarHBondContact CG-O 3.49Å; F139-P297 HydrophobicContact CB-CB 4.14Å; F139-P297 VanDerWaalsContact CD1-CA 3.5Å; F139-P297 HydrophobicContact CD1-CB 3.82Å; F139-P297 HydrophobicContact CD2-CB 4.08Å; F139-P297 HydrophobicContact CE1-CB 4.23Å; F139-P297 HydrophobicContact CE2-CB 4.47Å; F139-P297 HydrophobicContact CG-CB 3.73Å
298E91.4Very high78.1Confident145 Ų14567.9 Ų67.968%0.67840%0.402SS*.SBendtrans-75.1149.8176.1-59.8-177.4171.900111S296 T300S296-E298 PolarHBondContact O-N 3.46Å; S296-E298 WeakPolarHBondContact OG-CB 3.48Å; S296-E298 PolarHBondContact OG-N 2.97Å; S296-E298 VanDerWaalsContact OG-N 3.13Å; E298-T300 PolarHBondContact O-N 3.03Å
299S86.3Confident77.2Confident77 Ų7768.5 Ų68.554%0.53841%0.408SS..BIsolated β-bridgetrans-66.6108.7174.6177.30000109.5L135L135-S299 WeakPolarHBondContact CB-OG 3.18Å; L135-S299 CarbonylContact O-C 3.46Å; L135-S299 WeakPolarHBondContact O-CA 3.41Å
300T72.1Confident76.3Confident53 Ų5372.4 Ų72.433%0.32543%0.433SS..  trans-99.8112.2170.954.50000108.1L135 E298 P302L135-T300 CarbonylContact O-C 3.47Å; L135-T300 PolarHBondContact O-N 3.28Å; L135-T300 PolarHBondContact O-OG1 3.33Å; E298-T300 PolarHBondContact O-N 3.03Å; T300-P302 WeakPolarHBondContact O-CD 3.29Å
301Q65.3Low75.6Confident132 Ų13275.4 Ų75.462%0.61745%0.445SS*.  trans-57.9127.5159.3-70.9-65.5-27.900106.7L135 S303L135-Q301 VanDerWaalsContact CD1-NE2 3.32Å; Q301-S303 VanDerWaalsContact C-N 3.33Å; Q301-S303 PolarHBondContact O-N 2.93Å
302P59Low75.2Confident46 Ų4671.9 Ų71.930%0.29943%0.434SS..  trans-56.9104.4169.3-18.129.5000106.8S157 L161 T300 C304S157-P302 WeakPolarHBondContact OG-CG 3.5Å; L161-P302 HydrophobicContact CD1-CB 4.08Å; T300-P302 WeakPolarHBondContact O-CD 3.29Å; P302-C304 PolarHBondContact O-N 2.94Å
303S50Low75.2Confident109 Ų10971.7 Ų71.776%0.76243%0.431SS*.  trans-78.547.9-173.664.10000110.5Q301Q301-S303 VanDerWaalsContact C-N 3.33Å; Q301-S303 PolarHBondContact O-N 2.93Å
304C44.9Very low75.2Confident48 Ų4871.5 Ų71.532%0.32443%0.433SS..  trans-163.377.3-177.8-86.10000109.7L292 P302 F313L292-C304 HydrophobicContact CD2-CB 3.98Å; P302-C304 PolarHBondContact O-N 2.94Å; C304-F313 HydrophobicContact CB-CE2 3.8Å; C304-F313 HydrophobicContact CB-CZ 3.56Å; C304-F313 WeakPolarHBondContact O-CE2 3.39Å
305A48.6Very low75.3Confident60 Ų6071 Ų7150%0.49643%0.43SS..  trans-131.8126.513300000103.2P307A305-P307 WeakPolarHBondContact O-CD 3.08Å
306I48.4Very low75.3Confident116 Ų11672.1 Ų72.160%0.59544%0.437SS*.  trans-54.3120.8155.5-56.5175.6000102.9S308 D309I306-S308 WeakPolarHBondContact CG2-OG 3.43Å; I306-S308 PolarHBondContact O-N 3.18Å; I306-D309 PolarHBondContact O-N 3.29Å
307P55.5Low75.5Confident136 Ų13673.9 Ų73.988%0.88345%0.454SS*.THydrogen-bonded Turntrans-55.1-13.1-172.7-2835.1000114A305A305-P307 WeakPolarHBondContact O-CD 3.08Å
308S66.6Low75.7Confident100 Ų10076.7 Ų76.770%0.69946%0.461SS*.THydrogen-bonded Turntrans-86.6-21178.265.50000116.3I306I306-S308 WeakPolarHBondContact CG2-OG 3.43Å; I306-S308 PolarHBondContact O-N 3.18Å
309D78.1Confident76Confident69 Ų6971.2 Ų71.237%0.36944%0.437SS..  trans-123.3104.4-173.8-173.15.1000112.8I306 F311I306-D309 PolarHBondContact O-N 3.29Å; D309-F311 PolarHBondContact O-N 3.43Å; D309-F311 PolarHBondContact OD1-N 3.03Å
310P76.3Confident76.5Confident82 Ų8268.7 Ų68.753%0.53242%0.417SS..THydrogen-bonded Turntrans-68.7-16.7177.727.7-32.9000114Q165Q165-P310 PolarHBondContact NE2-O 3.48Å
311F83.4Confident77.7Confident85 Ų8569.7 Ų69.737%0.37343%0.426SS..THydrogen-bonded Turntrans-110.925.6-177.1-66.6-75000112.7V167 D309 F313 A314V167-F311 HydrophobicContact CG2-CD1 4.2Å; V167-F311 HydrophobicContact CG2-CE1 4.49Å; D309-F311 PolarHBondContact O-N 3.43Å; D309-F311 PolarHBondContact OD1-N 3.03Å; F311-F313 PolarHBondContact O-N 3.4Å; F311-A314 HydrophobicContact CB-CB 3.97Å; F311-A314 HydrophobicContact CD1-CB 4.45Å; F311-A314 VanDerWaalsContact O-CB 3.3Å; F311-A314 WeakPolarHBondContact O-CB 3.39Å; F311-A314 PolarHBondContact O-N 3.46Å
312S86.8Confident79.3Confident40 Ų4067.9 Ų67.928%0.2842%0.418SS..THydrogen-bonded Turntrans-56.7-20-174.964.40000114.4
313F93.2Very high81.1Confident23 Ų2365.7 Ų65.710%0.10140%0.403CS..THydrogen-bonded Turntrans-115.913.3177.4-61.1-69.4000113.9L161 Q165 K288 T289 H291 L292 C304 F311L161-F313 HydrophobicContact CD2-CD2 4.01Å; L161-F313 HydrophobicContact CD2-CE2 4.45Å; Q165-F313 HydrophobicContact CG-CB 3.75Å; K288-F313 HydrophobicContact CB-CD1 4.38Å; T289-F313 HydrophobicContact CG2-CB 3.74Å; T289-F313 HydrophobicContact CG2-CD1 4.13Å; T289-F313 HydrophobicContact CG2-CD2 4.18Å; T289-F313 HydrophobicContact CG2-CG 3.77Å; H291-F313 AromaticContact CE1-CE1 3.77Å; L292-F313 HydrophobicContact CD1-CE2 3.84Å; L292-F313 HydrophobicContact CD1-CZ 3.9Å; C304-F313 HydrophobicContact CB-CE2 3.8Å; C304-F313 HydrophobicContact CB-CZ 3.56Å; C304-F313 WeakPolarHBondContact O-CE2 3.39Å; F311-F313 PolarHBondContact O-N 3.4Å
314A95.8Very high83.3Confident16 Ų1665.7 Ų65.713%0.13239%0.39CS..PPolyproline II helixtrans-57.5145.7170.700000110.8V167 K288 F311 T316V167-A314 HydrophobicContact CG2-CB 3.73Å; K288-A314 PolarHBondContact NZ-O 2.96Å; F311-A314 HydrophobicContact CB-CB 3.97Å; F311-A314 HydrophobicContact CD1-CB 4.45Å; F311-A314 VanDerWaalsContact O-CB 3.3Å; F311-A314 WeakPolarHBondContact O-CB 3.39Å; F311-A314 PolarHBondContact O-N 3.46Å; A314-T316 PolarHBondContact O-N 2.9Å
315A96.5Very high85.8Confident16 Ų1667 Ų6713%0.13240%0.404CS..PPolyproline II helixtrans-73.8126-179.900000110.6E281 S284 D319 I320E281-A315 HydrophobicContact CG-CB 4.07Å; S284-A315 VanDerWaalsContact CB-CB 3.48Å; A315-D319 HydrophobicContact CB-CB 4.35Å; A315-I320 HydrophobicContact CB-CD1 4.28Å; A315-I320 HydrophobicContact CB-CG1 4.01Å
316T96.5Very high88.1Confident61 Ų6166.7 Ų66.737%0.37440%0.396SS..PPolyproline II helixtrans-80.4172.9169.878.20000111A314 E318 D319 I320A314-T316 PolarHBondContact O-N 2.9Å; T316-E318 VanDerWaalsContact CB-OE2 3.27Å; T316-E318 WeakPolarHBondContact CB-OE2 3.17Å; T316-E318 PolarHBondContact O-N 2.91Å; T316-E318 PolarHBondContact OG1-N 3.43Å; T316-E318 PolarHBondContact OG1-OE2 3.39Å; T316-D319 PolarHBondContact N-OD2 3.22Å; T316-D319 PolarHBondContact O-N 3.24Å; T316-D319 PolarHBondContact OG1-N 3.32Å; T316-D319 PolarHBondContact OG1-OD2 3.48Å; T316-I320 WeakPolarHBondContact O-CG1 3.44Å; T316-I320 PolarHBondContact O-N 2.84Å; T316-I320 VanDerWaalsContact O-N 3.12Å
317A96.7Very high90.4Very high72 Ų7261.6 Ų61.660%0.59537%0.37SS*.Hα-helixtrans-61.5-35.3174.400000111.8S321A317-S321 WeakPolarHBondContact O-CB 3.28Å; A317-S321 PolarHBondContact O-N 3.03Å
318E97.6Very high92.3Very high125 Ų12559.6 Ų59.658%0.58437%0.365SS*.Hα-helixtrans-66.3-47.4175.9-60.970.2-152.300110.9T316 I320 S321 E322T316-E318 VanDerWaalsContact CB-OE2 3.27Å; T316-E318 WeakPolarHBondContact CB-OE2 3.17Å; T316-E318 PolarHBondContact O-N 2.91Å; T316-E318 PolarHBondContact OG1-N 3.43Å; T316-E318 PolarHBondContact OG1-OE2 3.39Å; E318-I320 VanDerWaalsContact C-N 3.25Å; E318-I320 PolarHBondContact O-N 3.38Å; E318-S321 WeakPolarHBondContact O-CB 3.41Å; E318-S321 PolarHBondContact O-N 3.34Å; E318-E322 PolarHBondContact O-N 3.5Å
319D97.6Very high93.5Very high30 Ų3057.3 Ų57.316%0.1636%0.357CS..Hα-helixtrans-56.9-41.8177.3-64-49.3000111.6S284 K288 A315 T316 V323S284-D319 VanDerWaalsContact OG-C 3.24Å; S284-D319 PolarHBondContact OG-O 2.77Å; K288-D319 WeakPolarHBondContact CD-OD2 3.46Å; K288-D319 WeakPolarHBondContact CE-OD2 3.02Å; K288-D319 IonicContact NZ-OD2 3.29Å; K288-D319 PolarHBondContact NZ-OD2 3.3Å; A315-D319 HydrophobicContact CB-CB 4.35Å; T316-D319 PolarHBondContact N-OD2 3.22Å; T316-D319 PolarHBondContact O-N 3.24Å; T316-D319 PolarHBondContact OG1-N 3.32Å; T316-D319 PolarHBondContact OG1-OD2 3.48Å; D319-V323 WeakPolarHBondContact O-CG2 3.43Å; D319-V323 PolarHBondContact O-N 3.07Å
320I97.8Very high94.3Very high23 Ų2358.6 Ų58.612%0.11836%0.363CS..Hα-helixtrans-69.7-38.1177.7-66.8169.6000110.7P280 S284 A315 T316 E318 V323 K324P280-I320 HydrophobicContact CB-CG2 4.19Å; S284-I320 PolarHBondContact OG-N 3.35Å; A315-I320 HydrophobicContact CB-CD1 4.28Å; A315-I320 HydrophobicContact CB-CG1 4.01Å; T316-I320 WeakPolarHBondContact O-CG1 3.44Å; T316-I320 PolarHBondContact O-N 2.84Å; T316-I320 VanDerWaalsContact O-N 3.12Å; E318-I320 VanDerWaalsContact C-N 3.25Å; E318-I320 PolarHBondContact O-N 3.38Å; I320-V323 PolarHBondContact O-N 3.26Å; I320-K324 HydrophobicContact CG2-CD 4.19Å; I320-K324 HydrophobicContact CG2-CG 4.46Å; I320-K324 WeakPolarHBondContact O-CB 3.05Å; I320-K324 VanDerWaalsContact O-CG 3.31Å; I320-K324 WeakPolarHBondContact O-CG 3.3Å; I320-K324 PolarHBondContact O-N 3.08Å
321S97.7Very high95.3Very high74 Ų7455.9 Ų55.952%0.51734%0.343SS..Hα-helixtrans-63.8-42.9177.6-1690000111.7A317 E318 K324 A325A317-S321 WeakPolarHBondContact O-CB 3.28Å; A317-S321 PolarHBondContact O-N 3.03Å; E318-S321 WeakPolarHBondContact O-CB 3.41Å; E318-S321 PolarHBondContact O-N 3.34Å; S321-K324 WeakPolarHBondContact O-CB 3.1Å; S321-K324 PolarHBondContact O-N 3.3Å; S321-A325 PolarHBondContact O-N 3.16Å
322E97.4Very high95.9Very high95 Ų9553.1 Ų53.144%0.44433%0.334SS..Hα-helixtrans-61.1-46.6175.1-70.4-173.8-174.700111.8R287 E318 K324 A325 T326R287-E322 IonicContact CZ-OE2 3.27Å; R287-E322 VanDerWaalsContact CZ-OE2 3.27Å; R287-E322 IonicContact NH1-OE2 3.67Å; R287-E322 PolarHBondContact NH1-OE2 3.31Å; R287-E322 IonicContact NH2-OE2 2.8Å; R287-E322 PolarHBondContact NH2-OE2 3.06Å; E318-E322 PolarHBondContact O-N 3.5Å; E322-K324 VanDerWaalsContact C-N 3.33Å; E322-K324 PolarHBondContact O-N 3.17Å; E322-A325 WeakPolarHBondContact O-CB 3.35Å; E322-A325 PolarHBondContact O-N 3.39Å; E322-A325 VanDerWaalsContact O-N 3.12Å; E322-T326 PolarHBondContact O-N 3.07Å; E322-T326 PolarHBondContact O-OG1 3.11Å
323V97.4Very high96.3Very high0 Ų051.5 Ų51.50%032%0.323CS..Hα-helixtrans-61.9-41.3176.9163.80000111.2P280 L283 S284 D319 I320 A325 T326 F327 F331 L361P280-V323 HydrophobicContact CB-CG1 4.4Å; L283-V323 HydrophobicContact CB-CG1 3.74Å; L283-V323 HydrophobicContact CB-CG2 4.3Å; L283-V323 HydrophobicContact CD1-CG1 3.77Å; L283-V323 HydrophobicContact CG-CG1 4.43Å; S284-V323 WeakPolarHBondContact OG-CG2 3.07Å; D319-V323 WeakPolarHBondContact O-CG2 3.43Å; D319-V323 PolarHBondContact O-N 3.07Å; I320-V323 PolarHBondContact O-N 3.26Å; V323-A325 VanDerWaalsContact C-N 3.3Å; V323-A325 PolarHBondContact O-N 3.5Å; V323-T326 WeakPolarHBondContact O-CB 3.26Å; V323-T326 PolarHBondContact O-N 3.1Å; V323-F327 HydrophobicContact CG1-CD2 4.25Å; V323-F327 WeakPolarHBondContact O-CD2 3.39Å; V323-F327 PolarHBondContact O-N 3.28Å; V323-F331 HydrophobicContact CG1-CE1 3.64Å; V323-F331 HydrophobicContact CG1-CZ 4.04Å; V323-L361 HydrophobicContact CG2-CD1 4.41Å
324K97.2Very high96.2Very high108 Ų10852.9 Ų52.947%0.4733%0.334SS..Hα-helixtrans-58.7-40.8172.7-77175.4175.7-176.30112.3I320 S321 E322 F327 A328 G329 F331I320-K324 HydrophobicContact CG2-CD 4.19Å; I320-K324 HydrophobicContact CG2-CG 4.46Å; I320-K324 WeakPolarHBondContact O-CB 3.05Å; I320-K324 VanDerWaalsContact O-CG 3.31Å; I320-K324 WeakPolarHBondContact O-CG 3.3Å; I320-K324 PolarHBondContact O-N 3.08Å; S321-K324 WeakPolarHBondContact O-CB 3.1Å; S321-K324 PolarHBondContact O-N 3.3Å; E322-K324 VanDerWaalsContact C-N 3.33Å; E322-K324 PolarHBondContact O-N 3.17Å; K324-F327 CarbonylContact O-C 3.56Å; K324-F327 PolarHBondContact O-N 3.02Å; K324-A328 CarbonylContact O-C 3.52Å; K324-A328 WeakPolarHBondContact O-CA 3.44Å; K324-A328 PolarHBondContact O-N 2.6Å; K324-G329 PolarHBondContact O-N 3.49Å; K324-F331 HydrophobicContact CB-CZ 4.3Å; K324-F331 HydrophobicContact CG-CE2 3.86Å; K324-F331 HydrophobicContact CG-CZ 3.71Å
325A97.3Very high95.8Very high75 Ų7555 Ų5562%0.6234%0.343SS*.Hα-helixtrans-65.8-44.2175.800000111.8S321 E322 V323 F327 A328S321-A325 PolarHBondContact O-N 3.16Å; E322-A325 WeakPolarHBondContact O-CB 3.35Å; E322-A325 PolarHBondContact O-N 3.39Å; E322-A325 VanDerWaalsContact O-N 3.12Å; V323-A325 VanDerWaalsContact C-N 3.3Å; V323-A325 PolarHBondContact O-N 3.5Å; A325-F327 PolarHBondContact O-N 2.68Å; A325-A328 PolarHBondContact O-N 3.01Å
326T96.6Very high95.1Very high55 Ų5560.2 Ų60.234%0.33737%0.369SS..Hα-helixtrans-58.1-35.2176.1-640000112.9E322 V323 K360E322-T326 PolarHBondContact O-N 3.07Å; E322-T326 PolarHBondContact O-OG1 3.11Å; V323-T326 WeakPolarHBondContact O-CB 3.26Å; V323-T326 PolarHBondContact O-N 3.1Å; T326-K360 HydrophobicContact CG2-CG 4.02Å; T326-K360 WeakPolarHBondContact CG2-O 3.27Å; T326-K360 WeakPolarHBondContact O-CE 3.38Å
327F96.2Very high94.3Very high9 Ų960.7 Ų60.74%0.03937%0.369CS..THydrogen-bonded Turntrans-96.44.7179-77.6-101.6000113.3Y278 L283 V323 K324 A325 G329 D330 F331 K360 L361Y278-F327 HydrophobicContact CD2-CD1 4.49Å; Y278-F327 AromaticContact CD2-CE1 3.74Å; Y278-F327 HydrophobicContact CD2-CE1 3.74Å; Y278-F327 HydrophobicContact CD2-CZ 4.43Å; Y278-F327 HydrophobicContact CE2-CE1 4.08Å; L283-F327 HydrophobicContact CD1-CD2 4.13Å; L283-F327 HydrophobicContact CD1-CE1 4.23Å; L283-F327 HydrophobicContact CD1-CE2 3.65Å; L283-F327 HydrophobicContact CD1-CZ 3.7Å; V323-F327 HydrophobicContact CG1-CD2 4.25Å; V323-F327 WeakPolarHBondContact O-CD2 3.39Å; V323-F327 PolarHBondContact O-N 3.28Å; K324-F327 CarbonylContact O-C 3.56Å; K324-F327 PolarHBondContact O-N 3.02Å; A325-F327 PolarHBondContact O-N 2.68Å; F327-G329 PolarHBondContact O-N 3.3Å; F327-G329 VanDerWaalsContact O-N 3.09Å; F327-D330 PolarHBondContact O-N 3.34Å; F327-F331 HydrophobicContact CB-CD1 3.88Å; F327-F331 HydrophobicContact CB-CE1 3.61Å; F327-F331 HydrophobicContact CB-CZ 4.1Å; F327-F331 AromaticContact CD1-CD1 3.95Å; F327-F331 HydrophobicContact CD1-CD1 3.95Å; F327-F331 HydrophobicContact CD1-CE1 4.3Å; F327-F331 HydrophobicContact CD2-CD1 4.4Å; F327-F331 AromaticContact CD2-CE1 3.97Å; F327-F331 HydrophobicContact CD2-CE1 3.97Å; F327-F331 AromaticContact CG-CD1 3.81Å; F327-F331 HydrophobicContact CG-CD1 3.81Å; F327-F331 AromaticContact CG-CE1 3.69Å; F327-F331 HydrophobicContact CG-CE1 3.69Å; F327-K360 HydrophobicContact CD1-CD 4.44Å; F327-K360 HydrophobicContact CE1-CD 4.04Å; F327-K360 HydrophobicContact CE2-CG 4.49Å; F327-K360 HydrophobicContact CZ-CD 4.11Å; F327-K360 HydrophobicContact CZ-CG 4.37Å; F327-L361 HydrophobicContact CE2-CD1 4.05Å
328A95.6Very high93.9Very high94 Ų9458.3 Ų58.378%0.77735%0.345SS*.THydrogen-bonded Turntrans50.730-174.700000113.8K324 A325 D330K324-A328 CarbonylContact O-C 3.52Å; K324-A328 WeakPolarHBondContact O-CA 3.44Å; K324-A328 PolarHBondContact O-N 2.6Å; A325-A328 PolarHBondContact O-N 3.01Å; A328-D330 PolarHBondContact O-N 3.46Å
329G92.7Very high93.1Very high52 Ų5256.2 Ų56.254%0.53634%0.341SS..THydrogen-bonded Turntrans77-7.1-175.500000115.7K324 F327K324-G329 PolarHBondContact O-N 3.49Å; F327-G329 PolarHBondContact O-N 3.3Å; F327-G329 VanDerWaalsContact O-N 3.09Å
330D94.7Very high92.3Very high95 Ų9558 Ų5851%0.50835%0.353SS..  trans-101.5108.4178.6-177.59.9000111.1F327 A328 S332F327-D330 PolarHBondContact O-N 3.34Å; A328-D330 PolarHBondContact O-N 3.46Å; D330-S332 VanDerWaalsContact CG-OG 3.31Å; D330-S332 WeakPolarHBondContact OD1-CB 3.41Å; D330-S332 PolarHBondContact OD1-N 2.95Å; D330-S332 PolarHBondContact OD1-OG 3.28Å; D330-S332 PolarHBondContact OD2-OG 3.12Å
331F96.1Very high91.2Very high25 Ų2559 Ų5911%0.1136%0.362CS..  trans-1005.5178.6-64.6-79000112.9S277 Y278 P280 L283 V323 K324 F327S277-F331 CarbonylContact C-O 3.56Å; S277-F331 WeakPolarHBondContact CA-O 3.3Å; S277-F331 VanDerWaalsContact CB-O 3.26Å; S277-F331 WeakPolarHBondContact CB-O 3.48Å; Y278-F331 PolarHBondContact N-O 3.04Å; P280-F331 HydrophobicContact CB-CE1 4.2Å; P280-F331 HydrophobicContact CB-CE2 4.41Å; P280-F331 HydrophobicContact CB-CZ 3.92Å; P280-F331 HydrophobicContact CG-CD1 4.21Å; P280-F331 HydrophobicContact CG-CD2 3.97Å; P280-F331 HydrophobicContact CG-CE1 3.93Å; P280-F331 HydrophobicContact CG-CE2 3.65Å; P280-F331 HydrophobicContact CG-CG 4.21Å; P280-F331 HydrophobicContact CG-CZ 3.6Å; L283-F331 HydrophobicContact CD1-CD1 3.89Å; L283-F331 HydrophobicContact CD1-CE1 3.87Å; V323-F331 HydrophobicContact CG1-CE1 3.64Å; V323-F331 HydrophobicContact CG1-CZ 4.04Å; K324-F331 HydrophobicContact CB-CZ 4.3Å; K324-F331 HydrophobicContact CG-CE2 3.86Å; K324-F331 HydrophobicContact CG-CZ 3.71Å; F327-F331 HydrophobicContact CB-CD1 3.88Å; F327-F331 HydrophobicContact CB-CE1 3.61Å; F327-F331 HydrophobicContact CB-CZ 4.1Å; F327-F331 AromaticContact CD1-CD1 3.95Å; F327-F331 HydrophobicContact CD1-CD1 3.95Å; F327-F331 HydrophobicContact CD1-CE1 4.3Å; F327-F331 HydrophobicContact CD2-CD1 4.4Å; F327-F331 AromaticContact CD2-CE1 3.97Å; F327-F331 HydrophobicContact CD2-CE1 3.97Å; F327-F331 AromaticContact CG-CD1 3.81Å; F327-F331 HydrophobicContact CG-CD1 3.81Å; F327-F331 AromaticContact CG-CE1 3.69Å; F327-F331 HydrophobicContact CG-CE1 3.69Å
332S95.4Very high89.5Confident27 Ų2762.3 Ų62.319%0.18938%0.379CS..BIsolated β-bridgetrans-55.6142177.365.90000110.6D330 P334D330-S332 VanDerWaalsContact CG-OG 3.31Å; D330-S332 WeakPolarHBondContact OD1-CB 3.41Å; D330-S332 PolarHBondContact OD1-N 2.95Å; D330-S332 PolarHBondContact OD1-OG 3.28Å; D330-S332 PolarHBondContact OD2-OG 3.12Å; S332-P334 WeakPolarHBondContact O-CD 3.46Å
333I96.4Very high87.7Confident6 Ų663.5 Ų63.53%0.03139%0.385CS..  trans-109.395.5175-51.8178.8000105.6W101 F107 L115 L276 Y278 L337W101-I333 HydrophobicContact CZ2-CB 4.45Å; W101-I333 HydrophobicContact CZ2-CG2 4.07Å; W101-I333 WeakPolarHBondContact CZ2-O 3.26Å; F107-I333 HydrophobicContact CD2-CG2 4.49Å; F107-I333 HydrophobicContact CE2-CD1 4.28Å; F107-I333 HydrophobicContact CE2-CG2 3.83Å; F107-I333 HydrophobicContact CZ-CD1 4.15Å; L115-I333 HydrophobicContact CD2-CD1 3.79Å; L276-I333 HydrophobicContact CD2-CD1 4.2Å; L276-I333 HydrophobicContact CG-CD1 4.1Å; L276-I333 PolarHBondContact O-N 2.98Å; Y278-I333 HydrophobicContact CD1-CD1 3.48Å; Y278-I333 VanDerWaalsContact CD1-CD1 3.48Å; Y278-I333 HydrophobicContact CD1-CG1 4.11Å; Y278-I333 HydrophobicContact CD2-CD1 3.99Å; Y278-I333 HydrophobicContact CD2-CG1 3.64Å; Y278-I333 HydrophobicContact CE1-CD1 3.41Å; Y278-I333 VanDerWaalsContact CE1-CD1 3.41Å; Y278-I333 HydrophobicContact CE1-CG1 4.02Å; Y278-I333 HydrophobicContact CE2-CD1 3.95Å; Y278-I333 HydrophobicContact CE2-CG1 3.56Å; Y278-I333 HydrophobicContact CG-CD1 3.77Å; Y278-I333 HydrophobicContact CG-CG1 3.92Å; I333-L337 HydrophobicContact CG2-CD1 4.26Å
334P91.7Very high85.6Confident53 Ų5367.6 Ų67.634%0.34441%0.413SS..  trans-77.8146.5-174.133.8-36000110.2W101 S332 D336 L337W101-P334 PolarHBondContact NE1-O 3.46Å; S332-P334 WeakPolarHBondContact O-CD 3.46Å; P334-D336 VanDerWaalsContact C-N 3.27Å; P334-D336 WeakPolarHBondContact CB-OD1 3.4Å; P334-D336 WeakPolarHBondContact CG-OD1 3.19Å; P334-D336 PolarHBondContact O-N 3.33Å; P334-L337 HydrophobicContact CG-CD1 4.2Å; P334-L337 HydrophobicContact CG-CG 3.98Å; P334-L337 WeakPolarHBondContact O-CG 3.4Å; P334-L337 PolarHBondContact O-N 3.26Å
335N85.9Confident83.8Confident60 Ų6064 Ų6432%0.32140%0.399SS..G310 helixtrans-69.3-27-172.6-166.5-57.4000112.4P104 N105 L337 F338P104-N335 VanDerWaalsContact CA-OD1 3.29Å; P104-N335 WeakPolarHBondContact CA-OD1 3.49Å; P104-N335 WeakPolarHBondContact CB-OD1 3.41Å; N105-N335 VanDerWaalsContact CA-ND2 3.29Å; N105-N335 WeakPolarHBondContact CA-ND2 3.25Å; N105-N335 PolarHBondContact N-ND2 3.19Å; N105-N335 PolarHBondContact N-OD1 3.3Å; N335-L337 PolarHBondContact O-N 2.92Å; N335-F338 WeakPolarHBondContact O-CB 3.39Å; N335-F338 PolarHBondContact O-N 3.48Å; N335-F338 VanDerWaalsContact O-N 3.15Å
336D82.4Confident81.7Confident126 Ų12663.7 Ų63.767%0.67439%0.393SS*.G310 helixtrans-68-9.3178.764.3-20.1000114.1P334 F338P334-D336 VanDerWaalsContact C-N 3.27Å; P334-D336 WeakPolarHBondContact CB-OD1 3.4Å; P334-D336 WeakPolarHBondContact CG-OD1 3.19Å; P334-D336 PolarHBondContact O-N 3.33Å; D336-F338 PolarHBondContact O-N 2.82Å
337L80.5Confident79.9Confident70 Ų7068.8 Ų68.837%0.36641%0.41SS..G310 helixtrans-63.3-19.4167.7-66.2179.4000112.8I333 P334 N335 T339 Q353I333-L337 HydrophobicContact CG2-CD1 4.26Å; P334-L337 HydrophobicContact CG-CD1 4.2Å; P334-L337 HydrophobicContact CG-CG 3.98Å; P334-L337 WeakPolarHBondContact O-CG 3.4Å; P334-L337 PolarHBondContact O-N 3.26Å; N335-L337 PolarHBondContact O-N 2.92Å; L337-T339 PolarHBondContact O-N 3.38Å; L337-Q353 HydrophobicContact CB-CG 4.44Å; L337-Q353 WeakPolarHBondContact O-CG 3.32Å
338F86.7Confident78.5Confident23 Ų2370 Ų7010%0.10142%0.422CS..  trans-74.9119.7174.8179.6-101.1000111.2Y70 W101 V102 P104 N335 D336 V340Y70-F338 HydrophobicContact CD2-CE2 4.05Å; Y70-F338 AromaticContact CD2-CZ 3.61Å; Y70-F338 HydrophobicContact CD2-CZ 3.61Å; Y70-F338 HydrophobicContact CE2-CE2 4.07Å; Y70-F338 AromaticContact CE2-CZ 3.78Å; Y70-F338 HydrophobicContact CE2-CZ 3.78Å; Y70-F338 HydrophobicContact CG-CZ 4.45Å; W101-F338 HydrophobicContact CB-CB 3.76Å; W101-F338 HydrophobicContact CB-CD2 4.13Å; W101-F338 HydrophobicContact CB-CG 4.34Å; W101-F338 HydrophobicContact CG-CB 4.41Å; W101-F338 WeakPolarHBondContact O-CD2 3.23Å; V102-F338 WeakPolarHBondContact O-CE2 3.35Å; P104-F338 HydrophobicContact CG-CD1 3.74Å; P104-F338 HydrophobicContact CG-CE1 4.09Å; N335-F338 WeakPolarHBondContact O-CB 3.39Å; N335-F338 PolarHBondContact O-N 3.48Å; N335-F338 VanDerWaalsContact O-N 3.15Å; D336-F338 PolarHBondContact O-N 2.82Å; F338-V340 HydrophobicContact CE1-CG2 3.75Å; F338-V340 HydrophobicContact CZ-CG2 4.16Å
339T81.6Confident77.8Confident80 Ų8066.8 Ų66.849%0.49139%0.393SS..  trans-118.4136.6168.251.60000109.8L337 S341L337-T339 PolarHBondContact O-N 3.38Å; T339-S341 PolarHBondContact O-N 3Å
340V80.5Confident77.7Confident68 Ų6868 Ų6841%0.41239%0.386SS..  trans-70.6128.3171.4-1780000107.8Y70 F338 T342Y70-V340 HydrophobicContact CE1-CG1 3.79Å; Y70-V340 WeakPolarHBondContact O-CG2 3.14Å; F338-V340 HydrophobicContact CE1-CG2 3.75Å; F338-V340 HydrophobicContact CZ-CG2 4.16Å; V340-T342 PolarHBondContact O-N 3.22Å
341S75Confident77.6Confident44 Ų4464.7 Ų64.731%0.30837%0.369SS..  trans-59.2129.4174.6-177.50000110.3Y70 T339 E343Y70-S341 WeakPolarHBondContact OH-CB 3.3Å; Y70-S341 PolarHBondContact OH-N 2.8Å; Y70-S341 VanDerWaalsContact OH-N 3.08Å; T339-S341 PolarHBondContact O-N 3Å; S341-E343 PolarHBondContact OG-N 3.2Å
342T62.9Low77.5Confident144 Ų14469.2 Ų69.288%0.88339%0.39SS*.  trans-89.6-14.5174.355.60000112.5V340V340-T342 PolarHBondContact O-N 3.22Å
343E59.5Low77.6Confident120 Ų12069.1 Ų69.156%0.56139%0.387SS*.SBendtrans-83.2152-179.3-63-166.5176.100111.5S341 D345 T349S341-E343 PolarHBondContact OG-N 3.2Å; E343-D345 PolarHBondContact O-N 2.8Å; E343-D345 VanDerWaalsContact O-N 3.17Å; E343-T349 WeakPolarHBondContact OE2-CG2 3.38Å
344S53Low77.6Confident86 Ų8668.9 Ų68.960%0.60139%0.386SS*.  trans-60.5121.9167.173.10000108.3S346S344-S346 PolarHBondContact O-N 2.68Å; S344-S346 PolarHBondContact OG-OG 3.27Å
345D58.1Low77.8Confident31 Ų3168.1 Ų68.117%0.16638%0.38CS..THydrogen-bonded Turntrans-61.58.6-179.3-75.5-53.6000114.5R46 D47 E343 K347R46-D345 IonicContact CZ-OD1 3.61Å; R46-D345 IonicContact CZ-OD2 2.71Å; R46-D345 IonicContact NH1-OD1 2.8Å; R46-D345 PolarHBondContact NH1-OD1 3.1Å; R46-D345 IonicContact NH1-OD2 3.52Å; R46-D345 IonicContact NH2-OD1 3.49Å; R46-D345 PolarHBondContact NH2-OD1 3.4Å; D47-D345 WeakPolarHBondContact OD2-CB 3.38Å; E343-D345 PolarHBondContact O-N 2.8Å; E343-D345 VanDerWaalsContact O-N 3.17Å; D345-K347 PolarHBondContact O-N 2.96Å
346S53.4Low78.3Confident70 Ų7070 Ų7049%0.4939%0.39SS..THydrogen-bonded Turntrans-72.1-21.5-178.768.90000114.6S344S344-S346 PolarHBondContact O-N 2.68Å; S344-S346 PolarHBondContact OG-OG 3.27Å
347K59Low79Confident161 Ų16164.7 Ų64.770%0.736%0.361SS*.SBendtrans-111.4143.8177.9-72.4-176.7-179.8176.50110.6D345 T349D345-K347 PolarHBondContact O-N 2.96Å; K347-T349 PolarHBondContact O-N 3.31Å
348A66.8Low79.9Confident36 Ų3661.4 Ų61.430%0.29834%0.344SS..  trans-64.397172.300000109.4P142 L371P142-A348 HydrophobicContact CG-CB 3.87Å; A348-L371 HydrophobicContact CB-CD1 4.36Å; A348-L371 HydrophobicContact CB-CD2 3.62Å
349T80.4Confident80.4Confident26 Ų2665.7 Ų65.716%0.1637%0.368CS..PPolyproline II helixtrans-94.9153.3177.154.60000110.2E343 K347E343-T349 WeakPolarHBondContact OE2-CG2 3.38Å; K347-T349 PolarHBondContact O-N 3.31Å
350L91Very high81.1Confident76 Ų7666.6 Ų66.640%0.39837%0.365SS..PPolyproline II helixtrans-79.3131.6170.2-64.1180000108.9P367 A368 L371L350-P367 HydrophobicContact CD2-CB 3.75Å; L350-A368 HydrophobicContact CD1-CB 3.98Å; L350-A368 HydrophobicContact CD2-CB 3.9Å; L350-L371 HydrophobicContact CD2-CD1 3.87Å; L350-L371 HydrophobicContact CG-CD1 4.4Å
351N93.7Very high81.9Confident26 Ų2663.5 Ų63.514%0.13935%0.346CS..PPolyproline II helixtrans-79.1128.6174.2-170.3-70.5000110.1Q95 L96 Q353 T354 T355Q95-N351 HydrophobicContact CB-CB 3.83Å; L96-N351 HydrophobicContact CD2-CB 4.28Å; N351-Q353 VanDerWaalsContact C-N 3.26Å; N351-Q353 PolarHBondContact O-N 3.22Å; N351-Q353 VanDerWaalsContact OD1-CB 3.27Å; N351-Q353 WeakPolarHBondContact OD1-CB 3.28Å; N351-Q353 PolarHBondContact OD1-N 2.97Å; N351-T354 PolarHBondContact O-N 3.44Å; N351-T354 VanDerWaalsContact O-N 3.15Å; N351-T355 PolarHBondContact O-N 2.98Å; N351-T355 PolarHBondContact O-OG1 3.44Å
352E94Very high83Confident121 Ų12171.5 Ų71.557%0.56537%0.369SS*.Hα-helixtrans-58.4-35.7-178.4-66.6-175.5162.500112.8T355 N356E352-T355 PolarHBondContact O-N 3.29Å; E352-N356 VanDerWaalsContact O-CB 3.28Å; E352-N356 WeakPolarHBondContact O-CB 3.41Å; E352-N356 PolarHBondContact O-N 2.78Å; E352-N356 PolarHBondContact O-ND2 2.88Å
353Q96.1Very high84.7Confident24 Ų2465.3 Ų65.311%0.11233%0.331CS..Hα-helixtrans-62.1-46.8177.5-63.6178.271.100111L96 W101 L337 N351 F357L96-Q353 HydrophobicContact CD2-CB 4.31Å; W101-Q353 PolarHBondContact O-NE2 3.14Å; L337-Q353 HydrophobicContact CB-CG 4.44Å; L337-Q353 WeakPolarHBondContact O-CG 3.32Å; N351-Q353 VanDerWaalsContact C-N 3.26Å; N351-Q353 PolarHBondContact O-N 3.22Å; N351-Q353 VanDerWaalsContact OD1-CB 3.27Å; N351-Q353 WeakPolarHBondContact OD1-CB 3.28Å; N351-Q353 PolarHBondContact OD1-N 2.97Å; Q353-F357 WeakPolarHBondContact O-CB 3.46Å; Q353-F357 PolarHBondContact O-N 3.02Å
354T96.9Very high86.5Confident2 Ų262.7 Ų62.71%0.01232%0.318CS..Hα-helixtrans-63.9-44.5177.1-66.10000111.2Q95 P97 Y98 N351 F357 C358Q95-T354 WeakPolarHBondContact O-CB 3.21Å; Q95-T354 PolarHBondContact O-OG1 2.66Å; P97-T354 HydrophobicContact CG-CG2 4.29Å; Y98-T354 HydrophobicContact CD2-CG2 4.4Å; N351-T354 PolarHBondContact O-N 3.44Å; N351-T354 VanDerWaalsContact O-N 3.15Å; T354-F357 PolarHBondContact O-N 3.39Å; T354-C358 WeakPolarHBondContact O-CB 3.4Å; T354-C358 PolarHBondContact O-N 3.39Å; T354-C358 PolarHBondContact O-SG 3.45Å
355T96.6Very high88.6Confident36 Ų3659.6 Ų59.622%0.22130%0.295CS..Hα-helixtrans-60.3-52.9178.5-59.10000111N351 E352 F357 C358 D359 N365N351-T355 PolarHBondContact O-N 2.98Å; N351-T355 PolarHBondContact O-OG1 3.44Å; E352-T355 PolarHBondContact O-N 3.29Å; T355-F357 VanDerWaalsContact C-N 3.32Å; T355-F357 PolarHBondContact O-N 3.1Å; T355-C358 PolarHBondContact O-N 3.46Å; T355-D359 WeakPolarHBondContact O-CB 3.45Å; T355-D359 VanDerWaalsContact O-CG 3.29Å; T355-D359 PolarHBondContact O-N 3.34Å; T355-N365 PolarHBondContact OG1-ND2 2.91Å
356N96.2Very high90.5Very high99 Ų9958.3 Ų58.353%0.52929%0.289SS..Hα-helixtrans-60.8-40.2179.2-69.7-25.6000112.2E352 K360E352-N356 VanDerWaalsContact O-CB 3.28Å; E352-N356 WeakPolarHBondContact O-CB 3.41Å; E352-N356 PolarHBondContact O-N 2.78Å; E352-N356 PolarHBondContact O-ND2 2.88Å; N356-K360 WeakPolarHBondContact O-CB 3.48Å; N356-K360 PolarHBondContact O-N 3.04Å
357F97.2Very high92.6Very high16 Ų1655 Ų557%0.0727%0.266CS..Hα-helixtrans-62.9-48.2176.3178.5-96.6000111.8Y98 Y278 L283 L286 Q353 T354 T355 K360 L361 I363Y98-F357 HydrophobicContact CD1-CE1 4.28Å; Y98-F357 HydrophobicContact CD2-CD1 4.03Å; Y98-F357 HydrophobicContact CD2-CE1 4.17Å; Y98-F357 HydrophobicContact CG-CD1 4.02Å; Y98-F357 AromaticContact CG-CE1 3.75Å; Y98-F357 HydrophobicContact CG-CE1 3.75Å; Y278-F357 HydrophobicContact CD1-CE2 4.1Å; Y278-F357 HydrophobicContact CE1-CD2 4.04Å; Y278-F357 AromaticContact CE1-CE2 3.63Å; Y278-F357 HydrophobicContact CE1-CE2 3.63Å; Y278-F357 HydrophobicContact CE2-CD2 4.34Å; Y278-F357 HydrophobicContact CE2-CE2 4.34Å; Y278-F357 AromaticContact CZ-CD2 3.75Å; Y278-F357 AromaticContact CZ-CE2 3.78Å; L283-F357 HydrophobicContact CD2-CE2 3.69Å; L283-F357 HydrophobicContact CD2-CZ 3.62Å; L286-F357 HydrophobicContact CD1-CE1 4.13Å; L286-F357 HydrophobicContact CD1-CZ 3.93Å; Q353-F357 WeakPolarHBondContact O-CB 3.46Å; Q353-F357 PolarHBondContact O-N 3.02Å; T354-F357 PolarHBondContact O-N 3.39Å; T355-F357 VanDerWaalsContact C-N 3.32Å; T355-F357 PolarHBondContact O-N 3.1Å; F357-K360 PolarHBondContact O-N 3.36Å; F357-L361 HydrophobicContact CE1-CD2 4Å; F357-L361 HydrophobicContact CZ-CD2 3.81Å; F357-L361 WeakPolarHBondContact O-CB 3.41Å; F357-L361 PolarHBondContact O-N 2.79Å; F357-I363 HydrophobicContact CD1-CD1 4.4Å; F357-I363 HydrophobicContact CE1-CD1 3.93Å
358C98.3Very high94.3Very high1 Ų148.9 Ų48.91%0.00724%0.244CC..Hα-helixtrans-63.6-43.8179.6-66.30000111.7Y98 T354 T355 L361 R362 I363 N365Y98-C358 WeakPolarHBondContact CE2-SG 3.49Å; T354-C358 WeakPolarHBondContact O-CB 3.4Å; T354-C358 PolarHBondContact O-N 3.39Å; T354-C358 PolarHBondContact O-SG 3.45Å; T355-C358 PolarHBondContact O-N 3.46Å; C358-L361 PolarHBondContact O-N 3.39Å; C358-R362 VanDerWaalsContact O-CA 3.28Å; C358-R362 WeakPolarHBondContact O-CA 3.21Å; C358-R362 PolarHBondContact O-N 2.84Å; C358-I363 HydrophobicContact CB-CG1 4.27Å; C358-I363 WeakPolarHBondContact CB-O 3.08Å; C358-I363 PolarHBondContact O-N 3.39Å; C358-N365 HydrophobicContact CB-CB 4.09Å
359D97.6Very high95.7Very high112 Ų11249.3 Ų49.360%0.59924%0.242SC*.Hα-helixtrans-64.5-45.1178.8-71.1-15.7000111.4T355 R362T355-D359 WeakPolarHBondContact O-CB 3.45Å; T355-D359 VanDerWaalsContact O-CG 3.29Å; T355-D359 PolarHBondContact O-N 3.34Å; D359-R362 PolarHBondContact O-N 3.38Å
360K97.1Very high96.5Very high100 Ų10048.4 Ų48.444%0.43524%0.236SC..Hα-helixtrans-62.2-45.7178.2-173.9171.3-177.9178.90111.2T326 F327 N356 F357 R362T326-K360 HydrophobicContact CG2-CG 4.02Å; T326-K360 WeakPolarHBondContact CG2-O 3.27Å; T326-K360 WeakPolarHBondContact O-CE 3.38Å; F327-K360 HydrophobicContact CD1-CD 4.44Å; F327-K360 HydrophobicContact CE1-CD 4.04Å; F327-K360 HydrophobicContact CE2-CG 4.49Å; F327-K360 HydrophobicContact CZ-CD 4.11Å; F327-K360 HydrophobicContact CZ-CG 4.37Å; N356-K360 WeakPolarHBondContact O-CB 3.48Å; N356-K360 PolarHBondContact O-N 3.04Å; F357-K360 PolarHBondContact O-N 3.36Å; K360-R362 VanDerWaalsContact C-N 3.34Å
361L97.4Very high96.6Very high2 Ų247.4 Ų47.41%0.0123%0.23CC..Hα-helixtrans-82.7-12-177.9-166.465.8000113.4L283 L286 R287 V323 F327 F357 C358 I363L283-L361 HydrophobicContact CB-CD1 4.05Å; L283-L361 HydrophobicContact CD2-CD1 4.46Å; L283-L361 HydrophobicContact CD2-CD2 4.05Å; L286-L361 HydrophobicContact CB-CD2 4.02Å; L286-L361 HydrophobicContact CD1-CD2 4.12Å; R287-L361 HydrophobicContact CG-CD1 3.73Å; R287-L361 HydrophobicContact CG-CD2 4.31Å; R287-L361 HydrophobicContact CG-CG 3.65Å; R287-L361 WeakPolarHBondContact CG-O 3.45Å; V323-L361 HydrophobicContact CG2-CD1 4.41Å; F327-L361 HydrophobicContact CE2-CD1 4.05Å; F357-L361 HydrophobicContact CE1-CD2 4Å; F357-L361 HydrophobicContact CZ-CD2 3.81Å; F357-L361 WeakPolarHBondContact O-CB 3.41Å; F357-L361 PolarHBondContact O-N 2.79Å; C358-L361 PolarHBondContact O-N 3.39Å; L361-I363 HydrophobicContact CB-CG1 4.24Å; L361-I363 HydrophobicContact CD2-CD1 3.89Å; L361-I363 HydrophobicContact CD2-CG1 4.21Å; L361-I363 HydrophobicContact CD2-CG2 4.14Å; L361-I363 HydrophobicContact CG-CG1 4.47Å; L361-I363 HydrophobicContact CG-CG2 4.06Å
362R97.4Very high96.4Very high212 Ų21249.4 Ų49.480%0.825%0.247SC*.THydrogen-bonded Turntrans58.450.3-175-54.6179.5-178.71770.2112.8C358 D359 K360C358-R362 VanDerWaalsContact O-CA 3.28Å; C358-R362 WeakPolarHBondContact O-CA 3.21Å; C358-R362 PolarHBondContact O-N 2.84Å; D359-R362 PolarHBondContact O-N 3.38Å; K360-R362 VanDerWaalsContact C-N 3.34Å
363I98.2Very high95.6Very high15 Ų1547.3 Ų47.38%0.07724%0.239CC..  trans-121.3166.717662.1161.9000110.7Y98 R287 D290 F357 C358 L361Y98-I363 HydrophobicContact CD1-CD1 4.22Å; Y98-I363 HydrophobicContact CD2-CD1 4.32Å; Y98-I363 HydrophobicContact CE1-CD1 3.8Å; Y98-I363 HydrophobicContact CE2-CD1 3.91Å; Y98-I363 HydrophobicContact CG-CD1 4.47Å; R287-I363 HydrophobicContact CB-CG2 4.5Å; R287-I363 HydrophobicContact CG-CG2 3.99Å; D290-I363 HydrophobicContact CB-CB 4.25Å; D290-I363 HydrophobicContact CB-CG2 4.01Å; D290-I363 WeakPolarHBondContact OD1-CB 3.45Å; F357-I363 HydrophobicContact CD1-CD1 4.4Å; F357-I363 HydrophobicContact CE1-CD1 3.93Å; C358-I363 HydrophobicContact CB-CG1 4.27Å; C358-I363 WeakPolarHBondContact CB-O 3.08Å; C358-I363 PolarHBondContact O-N 3.39Å; L361-I363 HydrophobicContact CB-CG1 4.24Å; L361-I363 HydrophobicContact CD2-CD1 3.89Å; L361-I363 HydrophobicContact CD2-CG1 4.21Å; L361-I363 HydrophobicContact CD2-CG2 4.14Å; L361-I363 HydrophobicContact CG-CG1 4.47Å; L361-I363 HydrophobicContact CG-CG2 4.06Å
364Q97.8Very high93.8Very high64 Ų6448.1 Ų48.130%0.29925%0.25SS..  trans-71135-179.3-75.3168.193.800112.7Y98 D290 L293 L366 L369Y98-Q364 WeakPolarHBondContact CE2-O 3.32Å; Y98-Q364 PolarHBondContact OH-O 2.98Å; D290-Q364 PolarHBondContact O-NE2 3.17Å; D290-Q364 WeakPolarHBondContact OD1-CB 3.45Å; D290-Q364 PolarHBondContact OD1-N 2.77Å; D290-Q364 WeakPolarHBondContact OD2-CG 3.18Å; D290-Q364 PolarHBondContact OD2-N 2.94Å; D290-Q364 PolarHBondContact OD2-NE2 2.79Å; L293-Q364 HydrophobicContact CD2-CB 3.66Å; Q364-L366 PolarHBondContact O-N 2.96Å; Q364-L369 HydrophobicContact CB-CD1 3.82Å; Q364-L369 HydrophobicContact CG-CD1 4.17Å
365N97.8Very high91.4Very high21 Ų2154.4 Ų54.411%0.11229%0.289CS..  trans-85.4100.3171.4-177.3-28.9000109.9T355 C358 P367 A368 L369T355-N365 PolarHBondContact OG1-ND2 2.91Å; C358-N365 HydrophobicContact CB-CB 4.09Å; N365-P367 VanDerWaalsContact OD1-CD 3.28Å; N365-P367 WeakPolarHBondContact OD1-CD 3.48Å; N365-A368 HydrophobicContact CB-CB 3.82Å; N365-A368 WeakPolarHBondContact O-CB 3.32Å; N365-A368 PolarHBondContact O-N 3.06Å; N365-A368 PolarHBondContact OD1-N 2.91Å; N365-A368 VanDerWaalsContact OD1-N 3.11Å; N365-L369 WeakPolarHBondContact O-CG 3.4Å; N365-L369 PolarHBondContact O-N 3.4Å
366L97.4Very high88.7Confident5 Ų558.5 Ų58.53%0.02631%0.314CS..Hα-helixtrans-56.1-49.7-176.1171.862.8000113.2P97 K111 H138 L293 T295 Q364 A368 L369 L370P97-L366 HydrophobicContact CB-CD2 4.16Å; P97-L366 HydrophobicContact CG-CB 4.3Å; K111-L366 HydrophobicContact CD-CD2 4.47Å; H138-L366 HydrophobicContact CB-CD1 4.03Å; H138-L366 HydrophobicContact CB-CD2 3.79Å; H138-L366 HydrophobicContact CB-CG 4.5Å; L293-L366 HydrophobicContact CD1-CD1 4.22Å; L293-L366 HydrophobicContact CD2-CB 4.22Å; L293-L366 HydrophobicContact CD2-CD1 4.44Å; T295-L366 HydrophobicContact CG2-CD1 3.86Å; Q364-L366 PolarHBondContact O-N 2.96Å; L366-A368 VanDerWaalsContact C-N 3.29Å; L366-A368 PolarHBondContact O-N 3.4Å; L366-L369 PolarHBondContact O-N 3.45Å; L366-L370 HydrophobicContact CD1-CD1 3.73Å; L366-L370 HydrophobicContact CD1-CG 3.99Å; L366-L370 HydrophobicContact CG-CD1 3.95Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.46Å
367P96.8Very high85.7Confident1 Ų159.2 Ų59.21%0.00632%0.322CS..Hα-helixtrans-51.2-45.3170.8-33.336.5000113.7W94 P97 L350 N365 L370 L371W94-P367 HydrophobicContact CE3-CB 4.34Å; W94-P367 HydrophobicContact CE3-CG 4.43Å; W94-P367 HydrophobicContact CH2-CB 3.58Å; W94-P367 HydrophobicContact CH2-CG 4.36Å; W94-P367 HydrophobicContact CZ2-CB 4.18Å; W94-P367 HydrophobicContact CZ3-CB 3.68Å; W94-P367 HydrophobicContact CZ3-CG 4.25Å; P97-P367 HydrophobicContact CG-CG 4.29Å; L350-P367 HydrophobicContact CD2-CB 3.75Å; N365-P367 VanDerWaalsContact OD1-CD 3.28Å; N365-P367 WeakPolarHBondContact OD1-CD 3.48Å; P367-L370 PolarHBondContact O-N 3.31Å; P367-L371 VanDerWaalsContact O-CG 3.26Å; P367-L371 WeakPolarHBondContact O-CG 3.27Å; P367-L371 PolarHBondContact O-N 3.3Å
368A96.2Very high82.5Confident31 Ų3168 Ų6826%0.25636%0.36SS..Hα-helixtrans-64.3-43.1179.600000112.5L350 N365 L366 L370 L371 S372L350-A368 HydrophobicContact CD1-CB 3.98Å; L350-A368 HydrophobicContact CD2-CB 3.9Å; N365-A368 HydrophobicContact CB-CB 3.82Å; N365-A368 WeakPolarHBondContact O-CB 3.32Å; N365-A368 PolarHBondContact O-N 3.06Å; N365-A368 PolarHBondContact OD1-N 2.91Å; N365-A368 VanDerWaalsContact OD1-N 3.11Å; L366-A368 VanDerWaalsContact C-N 3.29Å; L366-A368 PolarHBondContact O-N 3.4Å; A368-L370 VanDerWaalsContact C-N 3.33Å; A368-L370 PolarHBondContact O-N 3.42Å; A368-L371 PolarHBondContact O-N 3.28Å; A368-S372 PolarHBondContact O-N 3.35Å; A368-S372 PolarHBondContact O-OG 3.3Å
369L96Very high79.5Confident46 Ų4674.1 Ų74.124%0.24140%0.4CS..Hα-helixtrans-60.1-43.1175.7-69175.6000112.2L293 T295 Q364 N365 L366 L371 S372 N373L293-L369 HydrophobicContact CD2-CD1 3.81Å; T295-L369 HydrophobicContact CG2-CB 4.09Å; T295-L369 HydrophobicContact CG2-CD1 4.49Å; Q364-L369 HydrophobicContact CB-CD1 3.82Å; Q364-L369 HydrophobicContact CG-CD1 4.17Å; N365-L369 WeakPolarHBondContact O-CG 3.4Å; N365-L369 PolarHBondContact O-N 3.4Å; L366-L369 PolarHBondContact O-N 3.45Å; L369-L371 VanDerWaalsContact C-N 3.34Å; L369-L371 PolarHBondContact O-N 3.29Å; L369-S372 WeakPolarHBondContact CA-OG 3.35Å; L369-S372 PolarHBondContact O-N 3.25Å; L369-S372 PolarHBondContact O-OG 2.9Å; L369-N373 WeakPolarHBondContact O-CB 3.49Å; L369-N373 PolarHBondContact O-N 2.99Å; L369-N373 PolarHBondContact O-ND2 3.16Å; L369-N373 PolarHBondContact O-OD1 3.26Å
370L95.8Very high76.5Confident7 Ų772.9 Ų72.94%0.03741%0.405CS..Hα-helixtrans-67.3-35.5179.5-74.3169.4000112.6W94 H138 E140 K141 T295 L366 P367 A368W94-L370 HydrophobicContact CZ2-CB 3.88Å; W94-L370 HydrophobicContact CZ2-CD1 3.7Å; W94-L370 HydrophobicContact CZ2-CG 4.45Å; H138-L370 WeakPolarHBondContact O-CD2 3.17Å; E140-L370 WeakPolarHBondContact O-CD1 3.43Å; K141-L370 HydrophobicContact CB-CB 4.32Å; K141-L370 WeakPolarHBondContact CD-O 3.36Å; T295-L370 HydrophobicContact CG2-CD2 3.94Å; T295-L370 HydrophobicContact CG2-CG 4.15Å; L366-L370 HydrophobicContact CD1-CD1 3.73Å; L366-L370 HydrophobicContact CD1-CG 3.99Å; L366-L370 HydrophobicContact CG-CD1 3.95Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.46Å; P367-L370 PolarHBondContact O-N 3.31Å; A368-L370 VanDerWaalsContact C-N 3.33Å; A368-L370 PolarHBondContact O-N 3.42Å
371L93.2Very high73.2Confident54 Ų5477.4 Ų77.428%0.28343%0.427SS..Hα-helixtrans-74.5-35.4175.6-66.1173000112.3W94 A348 L350 P367 A368 L369 A374W94-L371 HydrophobicContact CH2-CD1 4.24Å; W94-L371 HydrophobicContact CH2-CD2 4.31Å; W94-L371 HydrophobicContact CH2-CG 4.04Å; A348-L371 HydrophobicContact CB-CD1 4.36Å; A348-L371 HydrophobicContact CB-CD2 3.62Å; L350-L371 HydrophobicContact CD2-CD1 3.87Å; L350-L371 HydrophobicContact CG-CD1 4.4Å; P367-L371 VanDerWaalsContact O-CG 3.26Å; P367-L371 WeakPolarHBondContact O-CG 3.27Å; P367-L371 PolarHBondContact O-N 3.3Å; A368-L371 PolarHBondContact O-N 3.28Å; L369-L371 VanDerWaalsContact C-N 3.34Å; L369-L371 PolarHBondContact O-N 3.29Å; L371-A374 VanDerWaalsContact O-CB 3.31Å; L371-A374 WeakPolarHBondContact O-CB 3.2Å; L371-A374 PolarHBondContact O-N 3.25Å
372S89.7Confident70.1Confident69 Ų6984.1 Ų84.148%0.48346%0.464SS..Hα-helixtrans-70.7-32.2176.760.90000113.3A368 L369 A374 T375A368-S372 PolarHBondContact O-N 3.35Å; A368-S372 PolarHBondContact O-OG 3.3Å; L369-S372 WeakPolarHBondContact CA-OG 3.35Å; L369-S372 PolarHBondContact O-N 3.25Å; L369-S372 PolarHBondContact O-OG 2.9Å; S372-A374 PolarHBondContact O-N 2.92Å; S372-T375 PolarHBondContact O-OG1 2.76Å
373N78.1Confident67Low76 Ų7682.7 Ų82.741%0.40647%0.466SS..G310 helixtrans-72.5-9.1178.6-69.6-12.1000113.3T295 L369 T375 T376T295-N373 PolarHBondContact OG1-ND2 2.9Å; L369-N373 WeakPolarHBondContact O-CB 3.49Å; L369-N373 PolarHBondContact O-N 2.99Å; L369-N373 PolarHBondContact O-ND2 3.16Å; L369-N373 PolarHBondContact O-OD1 3.26Å; N373-T375 PolarHBondContact O-N 2.88Å; N373-T375 VanDerWaalsContact O-N 3.16Å; N373-T376 PolarHBondContact O-OG1 2.84Å
374A58.3Low63.9Low42 Ų4287 Ų8735%0.34750%0.495SS..G310 helixtrans-68.1-12.6-173.600000114.8L371 S372 T376L371-A374 VanDerWaalsContact O-CB 3.31Å; L371-A374 WeakPolarHBondContact O-CB 3.2Å; L371-A374 PolarHBondContact O-N 3.25Å; S372-A374 PolarHBondContact O-N 2.92Å; A374-T376 VanDerWaalsContact C-N 3.26Å; A374-T376 PolarHBondContact O-N 2.91Å
375T47.1Very low60.7Low133 Ų13390.3 Ų90.382%0.81652%0.52SS*.G310 helixtrans-75.3-2.3-177.79.70000115.1S372 N373S372-T375 PolarHBondContact O-OG1 2.76Å; N373-T375 PolarHBondContact O-N 2.88Å; N373-T375 VanDerWaalsContact O-N 3.16Å
376T38.5Very low57.4Low122 Ų12299.2 Ų99.275%0.74856%0.557SS**SBendtrans-126.90.7-171.933.30000118.6N373 A374N373-T376 PolarHBondContact O-OG1 2.84Å; A374-T376 VanDerWaalsContact C-N 3.26Å; A374-T376 PolarHBondContact O-N 2.91Å
377T33.9Very low54.2Low114 Ų114102.4 Ų102.470%0.69959%0.591SS**  trans-127.7111.3-177.548.70000113.8
378K30.3Very low51Low202 Ų202109.9 Ų109.988%0.87863%0.626SS**PPolyproline II helixtrans-67.8149.6161.9-75.1-178.5177179.70109.6A380K378-A380 PolarHBondContact O-N 2.72Å
379P35.8Very low48.3Very low129 Ų129114.3 Ų114.384%0.83864%0.641SS**PPolyproline II helixtrans-68.8126.5-176.20.712.5000110.2
380A34.5Very low45.1Very low85 Ų85119.5 Ų119.570%0.70266%0.662SS**PPolyproline II helixtrans-82.3122.2165.100000108.6K378 N382K378-A380 PolarHBondContact O-N 2.72Å; A380-N382 PolarHBondContact O-N 2.8Å
381E27.5Very low42.2Very low195 Ų195123.3 Ų123.391%0.91168%0.681SS**  trans-69.7109.1169.5-67.2176.2167.700108.3
382N32.7Very low39.1Very low144 Ų144131.1 Ų131.177%0.7771%0.707SS**  trans-118.4134.6167.7-87.5-22.4000109.7A380A380-N382 PolarHBondContact O-N 2.8Å
383E30.8Very low36.4Very low182 Ų182131.2 Ų131.285%0.8570%0.702SS**PPolyproline II helixtrans-67.7144.9179.7-73.2-175.3147.400112.4
384P32.7Very low34.1Very low106 Ų106135.7 Ų135.769%0.68872%0.721SS**PPolyproline II helixtrans-73.6130.7-171.628.4-34000112.5
385T31.6Very low32.7Very low132 Ų132140 Ų14081%0.8173%0.734SS**PPolyproline II helixtrans-79.7122.9168.942.40000110.3G387T385-G387 PolarHBondContact O-N 3.31Å
386K27.6Very low31.8Very low209 Ų209141.4 Ų141.491%0.90974%0.735SS**  trans-76.3101.1178.9-76.1179.9176.41760110.9
387G30.4Very low31.2Very low71 Ų71141.5 Ų141.573%0.73274%0.741SS**  trans-133.284.6158.600000108.6T385 E389T385-G387 PolarHBondContact O-N 3.31Å; G387-E389 PolarHBondContact O-N 2.98Å
388E29.9Very low31.1Very low159 Ų159140 Ų14074%0.74374%0.739SS**  trans-81.3106.1172.4-72.5-17617300109.1K390E388-K390 PolarHBondContact O-N 2.82Å
389E39.6Very low31.2Very low124 Ų124136.3 Ų136.358%0.57974%0.739SS**  trans-68.5112.3163.4-88.4173.2-178.700109.2K130 G387K130-E389 IonicContact NZ-OE1 3.73Å; K130-E389 PolarHBondContact NZ-OE1 2.99Å; G387-E389 PolarHBondContact O-N 2.98Å
390K28.7Very low30.8Very low155 Ų155137.7 Ų137.767%0.67474%0.738SS**  trans-10081.2170.5-75.6-179.8-178.2167.30109.6E388 R392E388-K390 PolarHBondContact O-N 2.82Å; K390-R392 PolarHBondContact O-N 3.26Å
391I34.5Very low30.5Very low86 Ų86139 Ų13944%0.44174%0.742SS.*  trans-74.2102.4149.9-59.2177.7000105.5D393I391-D393 PolarHBondContact O-N 2.94Å
392R28Very low30.8Very low219 Ų219136.1 Ų136.183%0.82674%0.738SS**  trans-66.6101.9174.3-75.1-178.9178.2178.31.4108.5K390 E394K390-R392 PolarHBondContact O-N 3.26Å; R392-E394 PolarHBondContact O-N 3.02Å
393D33.1Very low30.8Very low71 Ų71137.6 Ų137.638%0.3874%0.74SS.*  trans-69.5109.3170.4-89.9-37.5000110.3K252 I391 H395K252-D393 IonicContact NZ-OD1 2.66Å; K252-D393 PolarHBondContact NZ-OD1 3.28Å; I391-D393 PolarHBondContact O-N 2.94Å; D393-H395 PolarHBondContact O-N 2.96Å
394E31.3Very low30.7Very low169 Ų169138.7 Ų138.779%0.7974%0.742SS**  trans-80112.9168.1-68.1-174.8168.100109.9R392R392-E394 PolarHBondContact O-N 3.02Å
395H28Very low30.5Very low134 Ų134139.5 Ų139.562%0.6274%0.74SS**  trans-108.9108.9161.7-91.3-62.6000109.3D393D393-H395 PolarHBondContact O-N 2.96Å
396L28.6Very low30.4Very low161 Ų161137 Ų13784%0.84373%0.733SS**  trans-95.2115.4155.2-87.1157.4000107.6A398L396-A398 PolarHBondContact O-N 2.95Å
397S26.3Very low30.5Very low125 Ų125131.4 Ų131.487%0.87472%0.717SS**  trans-69.2113.5169.343.70000109.2
398A31.8Very low30.5Very low81 Ų81132.4 Ų132.467%0.66972%0.719SS**  trans-137.2132166.800000109.6L396L396-A398 PolarHBondContact O-N 2.95Å
399S31.5Very low30.4Very low125 Ų125132.8 Ų132.887%0.87472%0.721SS**  trans-68.7160.6-173.811.60000113.9
400I28.3Very low29.7Very low159 Ų159135.8 Ų135.882%0.81573%0.734SS**  trans-66.2130.8-163-63.1157.1000113.6
401S28.4Very low29.7Very low113 Ų113132.2 Ų132.279%0.7972%0.722SS**  trans-151.4123.1136.3570000109E403S401-E403 PolarHBondContact O-N 3.42Å
402T33.1Very low29.3Very low134 Ų134131.2 Ų131.282%0.82272%0.722SS**  trans-99.369.5-175.948.50000110
403E31.9Very low29.6Very low175 Ų175123.4 Ų123.482%0.81870%0.696SS**  trans-132.2129.2167.2-74-172170.100109.2S401S401-E403 PolarHBondContact O-N 3.42Å
404K30.2Very low29.6Very low205 Ų205126.2 Ų126.289%0.89171%0.711SS**  trans91.870.8-179.3-52.4174.9-178.9-179.90115.8A406K404-A406 PolarHBondContact O-N 3.16Å
405I27.6Very low29.6Very low123 Ų123124.9 Ų124.963%0.63171%0.709SS**  trans-71.3109.2143.4-63.8167.7000105.7
406A30.3Very low30Very low80 Ų80125.4 Ų125.466%0.66172%0.715SS**  trans-65.5139171.100000109.1K404K404-A406 PolarHBondContact O-N 3.16Å
407P28.8Very low30Very low91 Ų91123.7 Ų123.759%0.59171%0.709SS**  trans-60.1148.2175.725.1-31.2000110.1E409P407-E409 PolarHBondContact O-N 3.13Å
408A30.9Very low30.2Very low92 Ų92123.6 Ų123.676%0.7670%0.7SS**  trans-51.7112176.200000109.1E410A408-E410 PolarHBondContact O-N 3.06Å
409E27.7Very low30.1Very low167 Ų167125.9 Ų125.978%0.7870%0.702SS**  trans-61.7110.7162.8-77178168.800106.3P407 I411P407-E409 PolarHBondContact O-N 3.13Å; E409-I411 PolarHBondContact O-N 3.47Å
410E24.8Very low30.1Very low186 Ų186126 Ų12687%0.86969%0.692SS**  trans-63.883.5166.5-161.9173.5-15100106.3A408 C412A408-E410 PolarHBondContact O-N 3.06Å; E410-C412 VanDerWaalsContact C-N 3.33Å; E410-C412 PolarHBondContact O-N 3.07Å
411I27.7Very low30.2Very low81 Ų81123.9 Ų123.942%0.41568%0.684SS.*  trans-68.5102.4168.5-62.2174.5000104.9E409 L413E409-I411 PolarHBondContact O-N 3.47Å; I411-L413 HydrophobicContact CG2-CD2 4.44Å; I411-L413 PolarHBondContact O-N 2.98Å
412C27.9Very low30.3Very low65 Ų65124.7 Ų124.744%0.43968%0.677SS.*  trans-60.5106.3167.8-164.30000106.9E410 D414 D415E410-C412 VanDerWaalsContact C-N 3.33Å; E410-C412 PolarHBondContact O-N 3.07Å; C412-D414 PolarHBondContact O-N 2.75Å; C412-D415 PolarHBondContact O-N 2.8Å; C412-D415 VanDerWaalsContact O-N 3.11Å
413L33.1Very low30.1Very low54 Ų54124 Ų12428%0.28367%0.667SS.*THydrogen-bonded Turntrans-68.72-177.1-72.2170.3000113.2K246 I411 I416K246-L413 HydrophobicContact CD-CD1 3.91Å; K246-L413 HydrophobicContact CG-CD1 4.42Å; I411-L413 HydrophobicContact CG2-CD2 4.44Å; I411-L413 PolarHBondContact O-N 2.98Å; L413-I416 HydrophobicContact CD2-CD1 4.21Å
414D34.4Very low29.9Very low131 Ų131120.1 Ų120.170%0.70166%0.655SS**THydrogen-bonded Turntrans-87.1-7.4172.5-60.8-18.1000112.2C412C412-D414 PolarHBondContact O-N 2.75Å
415D30.1Very low29.9Very low140 Ų140113 Ų11375%0.74964%0.636SS**  trans-104.319.5-178.5-71.3-27.7000114.5C412C412-D415 PolarHBondContact O-N 2.8Å; C412-D415 VanDerWaalsContact O-N 3.11Å
416I35.8Very low30.1Very low146 Ų146112.1 Ų112.175%0.74964%0.636SS**  trans-1030172.6-57.3179.4000111.4L413L413-I416 HydrophobicContact CD2-CD1 4.21Å

Retrieved 416 of 416 residues in 298.2 ms (Link to these results)

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