A0A077Z481_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z481, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 443 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
1M29Very low62.7Low243 Ų243105.6 Ų105.6100%1.19761%0.606SS**  0136.30-70.2159.4165.500107.4
2S33.4Very low62.9Low115 Ų115111.5 Ų111.580%0.80462%0.624SS**  trans-71.8129.3166.346.40000108.5G4S2-G4 PolarHBondContact O-N 3.13Å
3Q42.5Very low62.8Low204 Ų204115.4 Ų115.495%0.95362%0.623SS**  trans-62.2107.9166.1-75.1170.8-37.900107.5
4G50.7Low62.5Low72 Ų72116 Ų11674%0.74262%0.62SS**  trans-84.8123.8168.600000108.5S2S2-G4 PolarHBondContact O-N 3.13Å
5S65.9Low61.6Low86 Ų86118.9 Ų118.960%0.60163%0.628SS**  trans-72.9152.6163.556.10000109.8
6G75.3Confident61.1Low24 Ų24126.1 Ų126.125%0.24764%0.644CS.*  trans163.9154.6-174.600000110.2Y56G6-Y56 CarbonylContact C-O 3.43Å; G6-Y56 VanDerWaalsContact CA-O 3.25Å; G6-Y56 WeakPolarHBondContact CA-O 3.26Å
7I82.3Confident60.5Low51 Ų51124.6 Ų124.626%0.26264%0.637SS.*EExtended strand (participates in β ladder)trans-98.1126.4-179.1-60.4164.4000108.2M24 Y56 E58I7-M24 HydrophobicContact CB-CE 3.84Å; I7-M24 HydrophobicContact CD1-CE 3.44Å; I7-M24 VanDerWaalsContact CD1-CE 3.44Å; I7-M24 HydrophobicContact CG1-CE 4.23Å; I7-M24 HydrophobicContact CG2-CE 3.63Å; I7-M24 HydrophobicContact CG2-SD 4.14Å; I7-Y56 PolarHBondContact N-O 2.94Å; I7-Y56 PolarHBondContact O-N 2.96Å; I7-E58 HydrophobicContact CD1-CG 3.88Å; I7-E58 HydrophobicContact CG1-CG 3.77Å
8C83.4Confident60.3Low82 Ų82122.1 Ų122.155%0.55462%0.624SS**EExtended strand (participates in β ladder)trans-95.2131.1172-69.50000109.3V53 S54C8-V53 HydrophobicContact CB-CG1 3.78Å; C8-S54 WeakPolarHBondContact CA-O 3.3Å
9A80.6Confident60.8Low29 Ų29117.4 Ų117.424%0.2460%0.599CS.*EExtended strand (participates in β ladder)trans-132.6142.9175.200000111.4V53 S54 Y56A9-V53 WeakPolarHBondContact O-CG1 2.98Å; A9-S54 PolarHBondContact N-O 2.9Å; A9-S54 WeakPolarHBondContact O-CB 3.35Å; A9-S54 PolarHBondContact O-N 3.06Å; A9-Y56 HydrophobicContact CB-CD2 4.35Å; A9-Y56 HydrophobicContact CB-CE2 3.92Å
10Y76.5Confident61.3Low176 Ų176115 Ų11569%0.6959%0.588SS**  trans-79.5128.1166.7-69.4-83.4000108.6V53Y10-V53 HydrophobicContact CD1-CG2 4.09Å; Y10-V53 HydrophobicContact CE1-CG2 3.61Å
11E69.8Low62.1Low80 Ų80111.5 Ų111.537%0.37458%0.58SS.*  trans-128.9130.1-180-163.5-179.5162.800109.2R13 Q19 S54 Y56E11-R13 PolarHBondContact O-N 3.14Å; E11-Q19 PolarHBondContact OE1-NE2 2.91Å; E11-Q19 PolarHBondContact OE2-NE2 2.93Å; E11-Q19 VanDerWaalsContact OE2-NE2 3.09Å; E11-S54 PolarHBondContact OE2-OG 2.8Å; E11-Y56 PolarHBondContact OE2-OH 2.87Å
12E65.6Low64.6Low176 Ų176101.3 Ų101.382%0.82254%0.538SS*.  trans-69.5116174.9-172174.7-159.500108.9Q14E12-Q14 PolarHBondContact O-N 2.86Å
13R60.6Low67Low162 Ų16298.8 Ų98.861%0.61152%0.524SS*.  trans-68.593-167.9-161.8-170.6-144.5170.817.3111.4E11 E15 E52E11-R13 PolarHBondContact O-N 3.14Å; R13-E15 PolarHBondContact O-N 3.25Å; R13-E52 IonicContact CZ-OE1 3.76Å; R13-E52 IonicContact CZ-OE2 3.93Å; R13-E52 IonicContact NE-OE2 3.59Å; R13-E52 IonicContact NH1-OE1 2.76Å; R13-E52 IonicContact NH2-OE1 3.16Å; R13-E52 PolarHBondContact NH2-OE1 3.34Å; R13-E52 IonicContact NH2-OE2 3.81Å; R13-E52 PolarHBondContact NH2-OE2 3.44Å
14Q59.6Low69Low124 Ų12490.5 Ų90.558%0.57949%0.485SS*.  trans-73.1100.4171.5-65.9-161.79.200110.2E12 R16 I17E12-Q14 PolarHBondContact O-N 2.86Å; Q14-R16 PolarHBondContact O-N 3.26Å; Q14-I17 HydrophobicContact CB-CB 4.38Å; Q14-I17 HydrophobicContact CB-CD1 3.91Å; Q14-I17 HydrophobicContact CB-CG1 4.07Å; Q14-I17 PolarHBondContact O-N 3.27Å; Q14-I17 VanDerWaalsContact O-N 3.14Å
15E48.7Very low70.5Confident159 Ų15991.3 Ų91.374%0.74347%0.472SS*.THydrogen-bonded Turntrans-50132.6171.7-66-168163.800110.5R13R13-E15 PolarHBondContact O-N 3.25Å
16R52.8Low71.1Confident235 Ų23589.9 Ų89.989%0.88746%0.461SS*.THydrogen-bonded Turntrans83.50.1-178.8-44.7153-165.6-164.54116.1Q14Q14-R16 PolarHBondContact O-N 3.26Å
17I51.8Low71.1Confident101 Ų10196.6 Ų96.652%0.51848%0.484SS..  trans-95.2135.7171.6-58-167.2000111.1Q14Q14-I17 HydrophobicContact CB-CB 4.38Å; Q14-I17 HydrophobicContact CB-CD1 3.91Å; Q14-I17 HydrophobicContact CB-CG1 4.07Å; Q14-I17 PolarHBondContact O-N 3.27Å; Q14-I17 VanDerWaalsContact O-N 3.14Å
18L56.5Low70.6Confident79 Ų7997.7 Ų97.741%0.41449%0.49SS..  trans-94.8101.7-178.3-171.671.2000109.3L279L18-L279 HydrophobicContact CD1-CD1 3.82Å; L18-L279 HydrophobicContact CD1-CG 4.12Å; L18-L279 HydrophobicContact CD2-CD1 3.86Å; L18-L279 HydrophobicContact CD2-CD2 3.89Å; L18-L279 HydrophobicContact CD2-CG 3.89Å; L18-L279 HydrophobicContact CG-CD1 3.97Å; L18-L279 HydrophobicContact CG-CG 4.41Å
19Q70.1Confident70.1Confident32 Ų32102.2 Ų102.215%0.1550%0.5CS..  trans-80.9-19.4-175-72.3160.3-24.700114.2E11 G21 G22 F38E11-Q19 PolarHBondContact OE1-NE2 2.91Å; E11-Q19 PolarHBondContact OE2-NE2 2.93Å; E11-Q19 VanDerWaalsContact OE2-NE2 3.09Å; Q19-G21 PolarHBondContact O-N 2.92Å; Q19-G22 VanDerWaalsContact O-CA 3.3Å; Q19-G22 WeakPolarHBondContact O-CA 3.46Å; Q19-G22 PolarHBondContact O-N 2.8Å; Q19-F38 HydrophobicContact CB-CD1 4.16Å; Q19-F38 HydrophobicContact CB-CD2 3.75Å; Q19-F38 HydrophobicContact CB-CE1 3.98Å; Q19-F38 HydrophobicContact CB-CE2 3.54Å; Q19-F38 HydrophobicContact CB-CG 4.04Å; Q19-F38 HydrophobicContact CB-CZ 3.65Å; Q19-F38 HydrophobicContact CG-CE2 4.26Å; Q19-F38 WeakPolarHBondContact O-CB 3.27Å; Q19-F38 WeakPolarHBondContact O-CD1 3.02Å; Q19-F38 VanDerWaalsContact O-CG 3.3Å; Q19-F38 WeakPolarHBondContact O-CG 3.4Å
20L71.5Confident69.7Low70 Ų70108.7 Ų108.737%0.36653%0.531SS..THydrogen-bonded Turntrans-61.1125.1-174.3-156.589.3000112.7G22 F38 L39 Y271 L279L20-G22 PolarHBondContact O-N 2.88Å; L20-F38 HydrophobicContact CD1-CD1 4.19Å; L20-F38 HydrophobicContact CD1-CE1 4.17Å; L20-L39 WeakPolarHBondContact CD1-O 3.45Å; L20-Y271 HydrophobicContact CD2-CD1 4.22Å; L20-Y271 HydrophobicContact CD2-CE1 3.97Å; L20-L279 HydrophobicContact CB-CD1 3.52Å; L20-L279 HydrophobicContact CD2-CD1 3.57Å; L20-L279 HydrophobicContact CG-CD1 4.16Å
21G76.7Confident68.7Low42 Ų42106.9 Ų106.943%0.43353%0.529SS..THydrogen-bonded Turntrans76.64.4-172.400000114.1Q19 F38Q19-G21 PolarHBondContact O-N 2.92Å; G21-F38 PolarHBondContact N-O 2.75Å
22G81.8Confident68.9Low29 Ų29106.2 Ų106.230%0.29954%0.537SS..  trans-61134.3176.900000111.9Q19 L20 M24 V37 F38Q19-G22 VanDerWaalsContact O-CA 3.3Å; Q19-G22 WeakPolarHBondContact O-CA 3.46Å; Q19-G22 PolarHBondContact O-N 2.8Å; L20-G22 PolarHBondContact O-N 2.88Å; G22-M24 PolarHBondContact O-N 3.46Å; G22-V37 WeakPolarHBondContact O-CA 3.41Å; G22-F38 PolarHBondContact O-N 2.94Å
23A84.7Confident69.3Low62 Ų62100.4 Ų100.451%0.51251%0.513SS..EExtended strand (participates in β ladder)trans-79115.6-179.200000110.9I25 L34A23-I25 HydrophobicContact CB-CD1 4.12Å; A23-I25 HydrophobicContact CB-CG1 4.08Å; A23-I25 PolarHBondContact O-N 2.94Å; A23-L34 HydrophobicContact CB-CD1 3.44Å; A23-L34 VanDerWaalsContact CB-CD1 3.44Å
24M84.6Confident70.4Confident29 Ų2996 Ų9614%0.14350%0.502CS..EExtended strand (participates in β ladder)trans-81.6107.5167.5-175174.273.200109.1I7 G22 Y35 G36 Y56I7-M24 HydrophobicContact CB-CE 3.84Å; I7-M24 HydrophobicContact CD1-CE 3.44Å; I7-M24 VanDerWaalsContact CD1-CE 3.44Å; I7-M24 HydrophobicContact CG1-CE 4.23Å; I7-M24 HydrophobicContact CG2-CE 3.63Å; I7-M24 HydrophobicContact CG2-SD 4.14Å; G22-M24 PolarHBondContact O-N 3.46Å; M24-Y35 PolarHBondContact O-N 2.78Å; M24-G36 PolarHBondContact N-O 3.4Å; M24-Y56 HydrophobicContact CB-CD1 3.55Å; M24-Y56 HydrophobicContact CB-CE1 3.66Å; M24-Y56 HydrophobicContact CB-CG 4.19Å; M24-Y56 HydrophobicContact CE-CG 4.48Å; M24-Y56 HydrophobicContact CG-CD1 4.43Å; M24-Y56 HydrophobicContact CG-CE1 4.44Å; M24-Y56 HydrophobicContact SD-CD1 4.27Å; M24-Y56 HydrophobicContact SD-CD2 3.98Å; M24-Y56 HydrophobicContact SD-CE2 4.25Å; M24-Y56 HydrophobicContact SD-CG 4Å
25I81.8Confident71.5Confident89 Ų8994.4 Ų94.446%0.45649%0.491SS..EExtended strand (participates in β ladder)trans-114.7126.3-177.8-60.9174.7000108.4A23 A32 V33 L34A23-I25 HydrophobicContact CB-CD1 4.12Å; A23-I25 HydrophobicContact CB-CG1 4.08Å; A23-I25 PolarHBondContact O-N 2.94Å; I25-A32 HydrophobicContact CG2-CB 3.75Å; I25-V33 VanDerWaalsContact CA-O 3.31Å; I25-V33 WeakPolarHBondContact CA-O 3.44Å; I25-L34 HydrophobicContact CG1-CD1 3.89Å
26C78.2Confident73.3Confident57 Ų5786.8 Ų86.839%0.38546%0.456SS..EExtended strand (participates in β ladder)trans-115.4153.7170.7-51.10000109.3V33 Y35C26-V33 PolarHBondContact N-O 3.35Å; C26-V33 PolarHBondContact O-N 2.77Å; C26-Y35 HydrophobicContact CB-CD2 3.67Å; C26-Y35 HydrophobicContact CB-CE2 3.55Å
27F74.7Confident74.9Confident164 Ų16477.5 Ų77.572%0.71943%0.425SS*.EExtended strand (participates in β ladder)trans-96.8117.2176.8-70.9-89.1000110.6Q31 A32F27-Q31 WeakPolarHBondContact CA-O 3.48Å; F27-A32 HydrophobicContact CD1-CB 4.2Å; F27-A32 HydrophobicContact CE1-CB 3.82Å; F27-A32 HydrophobicContact CZ-CB 4.32Å
28D72.8Confident76.5Confident75 Ų7573.3 Ų73.340%0.40140%0.403SS..EExtended strand (participates in β ladder)trans-110.1123.8164.7-179.827.1000108.8N30 Q31D28-N30 VanDerWaalsContact C-N 3.33Å; D28-N30 PolarHBondContact O-N 3.32Å; D28-Q31 PolarHBondContact N-O 2.83Å; D28-Q31 WeakPolarHBondContact O-CB 3.14Å; D28-Q31 PolarHBondContact O-N 2.89Å
29K71.7Confident77.7Confident176 Ų17673 Ų7377%0.76540%0.401SS*.THydrogen-bonded Turntrans43.252.7176.5-64.7154.6-168.3158.80114Q31K29-Q31 PolarHBondContact O-N 3.25Å
30N73.2Confident78.3Confident165 Ų16578.7 Ų78.788%0.88242%0.421SS*.THydrogen-bonded Turntrans6511.9-177.2-60.7-8.1000116.2D28D28-N30 VanDerWaalsContact C-N 3.33Å; D28-N30 PolarHBondContact O-N 3.32Å
31Q55Low78.7Confident139 Ų13977.6 Ų77.665%0.6542%0.416SS*.EExtended strand (participates in β ladder)trans-105.8129.9171.2-59.6-170.919.500110.8F27 D28 K29 V33F27-Q31 WeakPolarHBondContact CA-O 3.48Å; D28-Q31 PolarHBondContact N-O 2.83Å; D28-Q31 WeakPolarHBondContact O-CB 3.14Å; D28-Q31 PolarHBondContact O-N 2.89Å; K29-Q31 PolarHBondContact O-N 3.25Å; Q31-V33 HydrophobicContact CB-CG2 4.45Å; Q31-V33 PolarHBondContact O-N 3.29Å
32A73.9Confident78.7Confident66 Ų6678.4 Ų78.455%0.54541%0.409SS..EExtended strand (participates in β ladder)trans-78.2112.9171.400000109.5I25 F27I25-A32 HydrophobicContact CG2-CB 3.75Å; F27-A32 HydrophobicContact CD1-CB 4.2Å; F27-A32 HydrophobicContact CE1-CB 3.82Å; F27-A32 HydrophobicContact CZ-CB 4.32Å
33V75.5Confident78.1Confident53 Ų5380.8 Ų80.832%0.32142%0.422SS..EExtended strand (participates in β ladder)trans-114131.1-177.4178.70000109.5I25 C26 Q31 Y35I25-V33 VanDerWaalsContact CA-O 3.31Å; I25-V33 WeakPolarHBondContact CA-O 3.44Å; C26-V33 PolarHBondContact N-O 3.35Å; C26-V33 PolarHBondContact O-N 2.77Å; Q31-V33 HydrophobicContact CB-CG2 4.45Å; Q31-V33 PolarHBondContact O-N 3.29Å; V33-Y35 HydrophobicContact CB-CD2 4.31Å; V33-Y35 HydrophobicContact CB-CE2 3.68Å; V33-Y35 HydrophobicContact CG1-CD2 4.16Å; V33-Y35 HydrophobicContact CG1-CE2 3.68Å; V33-Y35 VanDerWaalsContact O-CD2 3.25Å; V33-Y35 WeakPolarHBondContact O-CD2 2.94Å
34L83.8Confident77Confident70 Ų7081.5 Ų81.537%0.36642%0.417SS..EExtended strand (participates in β ladder)trans-81.4117.2176-173.673.8000109.6A23 I25 T59A23-L34 HydrophobicContact CB-CD1 3.44Å; A23-L34 VanDerWaalsContact CB-CD1 3.44Å; I25-L34 HydrophobicContact CG1-CD1 3.89Å; L34-T59 HydrophobicContact CB-CG2 4.12Å; L34-T59 HydrophobicContact CD2-CG2 3.66Å; L34-T59 HydrophobicContact CG-CG2 3.54Å; L34-T59 WeakPolarHBondContact O-CB 3.35Å; L34-T59 VanDerWaalsContact O-CG2 3.24Å; L34-T59 WeakPolarHBondContact O-CG2 3.06Å; L34-T59 PolarHBondContact O-OG1 3.38Å
35Y82.3Confident75.6Confident90 Ų9088.1 Ų88.135%0.35345%0.452SS..EExtended strand (participates in β ladder)trans-100.9-26.8-179.7-78-91.9000113.5M24 C26 V33 T59M24-Y35 PolarHBondContact O-N 2.78Å; C26-Y35 HydrophobicContact CB-CD2 3.67Å; C26-Y35 HydrophobicContact CB-CE2 3.55Å; V33-Y35 HydrophobicContact CB-CD2 4.31Å; V33-Y35 HydrophobicContact CB-CE2 3.68Å; V33-Y35 HydrophobicContact CG1-CD2 4.16Å; V33-Y35 HydrophobicContact CG1-CE2 3.68Å; V33-Y35 VanDerWaalsContact O-CD2 3.25Å; V33-Y35 WeakPolarHBondContact O-CD2 2.94Å; Y35-T59 WeakPolarHBondContact CA-OG1 3.23Å; Y35-T59 PolarHBondContact O-N 2.81Å; Y35-T59 PolarHBondContact O-OG1 3.19Å
36G85.4Confident74.1Confident0 Ų091.9 Ų91.90%047%0.467CS..EExtended strand (participates in β ladder)trans-169175.9176.500000114.9M24 E57M24-G36 PolarHBondContact N-O 3.4Å; G36-E57 CarbonylContact C-O 3.12Å; G36-E57 WeakPolarHBondContact CA-O 3.35Å
37V86.5Confident72.5Confident39 Ų3998 Ų9824%0.23648%0.484CS..EExtended strand (participates in β ladder)trans-126.3125179.7178.50000109G22 L39 Y56 E57 I62G22-V37 WeakPolarHBondContact O-CA 3.41Å; V37-L39 PolarHBondContact O-N 3.27Å; V37-Y56 CarbonylContact O-C 3.53Å; V37-Y56 VanDerWaalsContact O-CA 3.32Å; V37-Y56 WeakPolarHBondContact O-CA 3.4Å; V37-E57 PolarHBondContact N-O 3.42Å; V37-E57 PolarHBondContact O-N 2.87Å; V37-I62 HydrophobicContact CB-CD1 4.42Å; V37-I62 HydrophobicContact CG2-CD1 3.65Å
38F86.1Confident71Confident14 Ų1499.7 Ų99.76%0.06150%0.499CS..EExtended strand (participates in β ladder)trans-60.3131.2-175.3-179.5-73.6000111.3Q19 L20 G21 G22 N41 Y56Q19-F38 HydrophobicContact CB-CD1 4.16Å; Q19-F38 HydrophobicContact CB-CD2 3.75Å; Q19-F38 HydrophobicContact CB-CE1 3.98Å; Q19-F38 HydrophobicContact CB-CE2 3.54Å; Q19-F38 HydrophobicContact CB-CG 4.04Å; Q19-F38 HydrophobicContact CB-CZ 3.65Å; Q19-F38 HydrophobicContact CG-CE2 4.26Å; Q19-F38 WeakPolarHBondContact O-CB 3.27Å; Q19-F38 WeakPolarHBondContact O-CD1 3.02Å; Q19-F38 VanDerWaalsContact O-CG 3.3Å; Q19-F38 WeakPolarHBondContact O-CG 3.4Å; L20-F38 HydrophobicContact CD1-CD1 4.19Å; L20-F38 HydrophobicContact CD1-CE1 4.17Å; G21-F38 PolarHBondContact N-O 2.75Å; G22-F38 PolarHBondContact O-N 2.94Å; F38-N41 VanDerWaalsContact CE2-OD1 3.27Å; F38-N41 WeakPolarHBondContact CE2-OD1 3.2Å; F38-N41 WeakPolarHBondContact CZ-OD1 3.41Å; F38-Y56 VanDerWaalsContact CA-CD1 3.43Å; F38-Y56 HydrophobicContact CB-CD1 3.8Å; F38-Y56 HydrophobicContact CB-CE1 3.56Å; F38-Y56 HydrophobicContact CD2-CE1 4.07Å; F38-Y56 HydrophobicContact CD2-CE2 4.28Å; F38-Y56 AromaticContact CD2-CZ 3.82Å; F38-Y56 HydrophobicContact CG-CE1 4.31Å
39L82.3Confident69.8Low71 Ų7199.4 Ų99.437%0.37250%0.503SS..EExtended strand (participates in β ladder)trans-105-48.5177.5-67.5-177.1000113.6L20 V37 L55 E57L20-L39 WeakPolarHBondContact CD1-O 3.45Å; V37-L39 PolarHBondContact O-N 3.27Å; L39-L55 HydrophobicContact CD1-CD2 4.03Å; L39-L55 HydrophobicContact CD1-CG 4.42Å; L39-L55 PolarHBondContact N-O 2.87Å; L39-E57 HydrophobicContact CD1-CB 3.81Å; L39-E57 HydrophobicContact CD1-CG 4.3Å; L39-E57 HydrophobicContact CD2-CB 4.11Å; L39-E57 HydrophobicContact CG-CB 3.94Å
40R82.8Confident68.9Low152 Ų152100.8 Ų100.857%0.57451%0.512SS*.EExtended strand (participates in β ladder)trans-176.3164.3-176.159.8179-177.4-175.62110.9I42 L55R40-I42 HydrophobicContact CG-CG1 4.39Å; R40-L55 PolarHBondContact N-O 2.92Å; R40-L55 WeakPolarHBondContact O-CB 3.28Å; R40-L55 PolarHBondContact O-N 3.4Å
41N79.5Confident68.2Low47 Ų4794.9 Ų94.925%0.25148%0.483SS..EExtended strand (participates in β ladder)trans-80.8152.1161.8-65.5-1.7000110.8F38 E52 V53 S54F38-N41 VanDerWaalsContact CE2-OD1 3.27Å; F38-N41 WeakPolarHBondContact CE2-OD1 3.2Å; F38-N41 WeakPolarHBondContact CZ-OD1 3.41Å; N41-E52 HydrophobicContact CB-CB 4.33Å; N41-E52 HydrophobicContact CB-CG 4.45Å; N41-E52 WeakPolarHBondContact CB-OE2 3.48Å; N41-E52 PolarHBondContact ND2-OE2 3.11Å; N41-V53 CarbonylContact C-O 3.56Å; N41-V53 WeakPolarHBondContact CA-O 3.46Å; N41-S54 PolarHBondContact OD1-OG 3.3Å
42I76Confident68.8Low59 Ų5991.9 Ų91.930%0.30347%0.47SS..EExtended strand (participates in β ladder)trans-129.2127.8174.6-57-179000107.4R40 V53 L55R40-I42 HydrophobicContact CG-CG1 4.39Å; I42-V53 PolarHBondContact N-O 2.77Å; I42-V53 PolarHBondContact O-N 2.98Å; I42-L55 HydrophobicContact CD1-CB 3.77Å; I42-L55 HydrophobicContact CD1-CD1 4.41Å; I42-L55 HydrophobicContact CD1-CD2 3.9Å; I42-L55 HydrophobicContact CD1-CG 4.21Å; I42-L55 HydrophobicContact CG1-CB 4.17Å
43S69.9Low69Low80 Ų8089.2 Ų89.256%0.55945%0.446SS*.EExtended strand (participates in β ladder)trans-77.8121.7172.5-48.10000109.9L45S43-L45 PolarHBondContact O-N 3.07Å
44L61.5Low69.3Low77 Ų7786.9 Ų86.940%0.40343%0.432SS..EExtended strand (participates in β ladder)trans-79.3108168.1-72.8178.1000109.2E46 S51 V53L44-E46 PolarHBondContact O-N 3.21Å; L44-S51 PolarHBondContact N-O 3.03Å; L44-V53 HydrophobicContact CD1-CG2 3.55Å; L44-V53 HydrophobicContact CG-CG2 3.88Å
45L54.2Low69.4Low168 Ų16884.9 Ų84.988%0.8842%0.422SS*.THydrogen-bonded Turntrans-82.56.8-175.6-130.5120.9000114S43S43-L45 PolarHBondContact O-N 3.07Å
46E50.9Low69.6Low168 Ų16881.6 Ų81.679%0.78541%0.409SS*.THydrogen-bonded Turntrans-101.7-9.4-161.3-152.7161.1-14400114L44L44-E46 PolarHBondContact O-N 3.21Å
47Y44.3Very low69.5Low186 Ų18685.5 Ų85.573%0.72943%0.427SS*.SBendtrans-129.4148.9170.6-72.9-92.9000109.2S49Y47-S49 PolarHBondContact O-N 2.96Å
48L43.7Very low69.3Low199 Ų19986.5 Ų86.5100%1.04243%0.429SS*.SBendtrans-69.624.1-172.7-70.3162.1000115
49S47.6Very low68.8Low68 Ų6886.6 Ų86.648%0.47643%0.431SS..SBendtrans-129.7127178.253.60000108.3Y47 S51Y47-S49 PolarHBondContact O-N 2.96Å; S49-S51 PolarHBondContact O-N 3.45Å; S49-S51 PolarHBondContact O-OG 2.01Å
50E52.2Low68.1Low205 Ų20586.1 Ų86.196%0.95844%0.437SS*.  trans-68.472.4-178.7-66.3-172.8147.500112.6E52E50-E52 PolarHBondContact O-N 3.28Å
51S58Low67.1Low41 Ų4181.4 Ų81.429%0.28743%0.425SS..EExtended strand (participates in β ladder)trans-8298.2179-56.90000109.6L44 S49L44-S51 PolarHBondContact N-O 3.03Å; S49-S51 PolarHBondContact O-N 3.45Å; S49-S51 PolarHBondContact O-OG 2.01Å
52E69Low66.3Low77 Ų7781.9 Ų81.936%0.3643%0.427SS..EExtended strand (participates in β ladder)trans-71.3130.4163-77.2-173.3-155.400109.7R13 N41 E50R13-E52 IonicContact CZ-OE1 3.76Å; R13-E52 IonicContact CZ-OE2 3.93Å; R13-E52 IonicContact NE-OE2 3.59Å; R13-E52 IonicContact NH1-OE1 2.76Å; R13-E52 IonicContact NH2-OE1 3.16Å; R13-E52 PolarHBondContact NH2-OE1 3.34Å; R13-E52 IonicContact NH2-OE2 3.81Å; R13-E52 PolarHBondContact NH2-OE2 3.44Å; N41-E52 HydrophobicContact CB-CB 4.33Å; N41-E52 HydrophobicContact CB-CG 4.45Å; N41-E52 WeakPolarHBondContact CB-OE2 3.48Å; N41-E52 PolarHBondContact ND2-OE2 3.11Å; E50-E52 PolarHBondContact O-N 3.28Å
53V77.5Confident65.5Low9 Ų984.7 Ų84.76%0.05544%0.439CS..EExtended strand (participates in β ladder)trans-119.4132.5174.5-173.60000109.2C8 A9 Y10 N41 I42 L44C8-V53 HydrophobicContact CB-CG1 3.78Å; A9-V53 WeakPolarHBondContact O-CG1 2.98Å; Y10-V53 HydrophobicContact CD1-CG2 4.09Å; Y10-V53 HydrophobicContact CE1-CG2 3.61Å; N41-V53 CarbonylContact C-O 3.56Å; N41-V53 WeakPolarHBondContact CA-O 3.46Å; I42-V53 PolarHBondContact N-O 2.77Å; I42-V53 PolarHBondContact O-N 2.98Å; L44-V53 HydrophobicContact CD1-CG2 3.55Å; L44-V53 HydrophobicContact CG-CG2 3.88Å
54S82.6Confident65.1Low4 Ų486 Ų863%0.02844%0.436CS..EExtended strand (participates in β ladder)trans-77.4122.2179.7-59.50000110.2C8 A9 E11 N41C8-S54 WeakPolarHBondContact CA-O 3.3Å; A9-S54 PolarHBondContact N-O 2.9Å; A9-S54 WeakPolarHBondContact O-CB 3.35Å; A9-S54 PolarHBondContact O-N 3.06Å; E11-S54 PolarHBondContact OE2-OG 2.8Å; N41-S54 PolarHBondContact OD1-OG 3.3Å
55L85.2Confident64.9Low28 Ų2884.7 Ų84.715%0.14744%0.437CS..EExtended strand (participates in β ladder)trans-93130173.1179.272.2000110.4L39 R40 I42L39-L55 HydrophobicContact CD1-CD2 4.03Å; L39-L55 HydrophobicContact CD1-CG 4.42Å; L39-L55 PolarHBondContact N-O 2.87Å; R40-L55 PolarHBondContact N-O 2.92Å; R40-L55 WeakPolarHBondContact O-CB 3.28Å; R40-L55 PolarHBondContact O-N 3.4Å; I42-L55 HydrophobicContact CD1-CB 3.77Å; I42-L55 HydrophobicContact CD1-CD1 4.41Å; I42-L55 HydrophobicContact CD1-CD2 3.9Å; I42-L55 HydrophobicContact CD1-CG 4.21Å; I42-L55 HydrophobicContact CG1-CB 4.17Å
56Y86.6Confident65.1Low21 Ų2181.6 Ų81.68%0.08242%0.421CS..EExtended strand (participates in β ladder)trans-115.9138.4174.4-62.9-101.5000110.7G6 I7 A9 E11 M24 V37 F38G6-Y56 CarbonylContact C-O 3.43Å; G6-Y56 VanDerWaalsContact CA-O 3.25Å; G6-Y56 WeakPolarHBondContact CA-O 3.26Å; I7-Y56 PolarHBondContact N-O 2.94Å; I7-Y56 PolarHBondContact O-N 2.96Å; A9-Y56 HydrophobicContact CB-CD2 4.35Å; A9-Y56 HydrophobicContact CB-CE2 3.92Å; E11-Y56 PolarHBondContact OE2-OH 2.87Å; M24-Y56 HydrophobicContact CB-CD1 3.55Å; M24-Y56 HydrophobicContact CB-CE1 3.66Å; M24-Y56 HydrophobicContact CB-CG 4.19Å; M24-Y56 HydrophobicContact CE-CG 4.48Å; M24-Y56 HydrophobicContact CG-CD1 4.43Å; M24-Y56 HydrophobicContact CG-CE1 4.44Å; M24-Y56 HydrophobicContact SD-CD1 4.27Å; M24-Y56 HydrophobicContact SD-CD2 3.98Å; M24-Y56 HydrophobicContact SD-CE2 4.25Å; M24-Y56 HydrophobicContact SD-CG 4Å; V37-Y56 CarbonylContact O-C 3.53Å; V37-Y56 VanDerWaalsContact O-CA 3.32Å; V37-Y56 WeakPolarHBondContact O-CA 3.4Å; F38-Y56 VanDerWaalsContact CA-CD1 3.43Å; F38-Y56 HydrophobicContact CB-CD1 3.8Å; F38-Y56 HydrophobicContact CB-CE1 3.56Å; F38-Y56 HydrophobicContact CD2-CE1 4.07Å; F38-Y56 HydrophobicContact CD2-CE2 4.28Å; F38-Y56 AromaticContact CD2-CZ 3.82Å; F38-Y56 HydrophobicContact CG-CE1 4.31Å
57E83.6Confident65.2Low82 Ų8277 Ų7738%0.38341%0.407SS..EExtended strand (participates in β ladder)trans-78.8131169.1-153.8167.4161.700109.5G36 V37 L39G36-E57 CarbonylContact C-O 3.12Å; G36-E57 WeakPolarHBondContact CA-O 3.35Å; V37-E57 PolarHBondContact N-O 3.42Å; V37-E57 PolarHBondContact O-N 2.87Å; L39-E57 HydrophobicContact CD1-CB 3.81Å; L39-E57 HydrophobicContact CD1-CG 4.3Å; L39-E57 HydrophobicContact CD2-CB 4.11Å; L39-E57 HydrophobicContact CG-CB 3.94Å
58E81.4Confident65.6Low61 Ų6173.9 Ų73.929%0.28540%0.397SS..EExtended strand (participates in β ladder)trans-63138.9-177-75.8176.2-168.900112.8I7 A60 T61I7-E58 HydrophobicContact CD1-CG 3.88Å; I7-E58 HydrophobicContact CG1-CG 3.77Å; E58-A60 HydrophobicContact CB-CB 4.35Å; E58-A60 PolarHBondContact O-N 3.25Å; E58-T61 WeakPolarHBondContact O-CB 3.43Å; E58-T61 PolarHBondContact O-N 3.21Å; E58-T61 PolarHBondContact O-OG1 2.99Å
59T75.5Confident66.1Low16 Ų1667.6 Ų67.610%0.09837%0.367CS..Hα-helixtrans-67.3-14.2170.549.30000113.4L34 Y35 T61 I62 H63L34-T59 HydrophobicContact CB-CG2 4.12Å; L34-T59 HydrophobicContact CD2-CG2 3.66Å; L34-T59 HydrophobicContact CG-CG2 3.54Å; L34-T59 WeakPolarHBondContact O-CB 3.35Å; L34-T59 VanDerWaalsContact O-CG2 3.24Å; L34-T59 WeakPolarHBondContact O-CG2 3.06Å; L34-T59 PolarHBondContact O-OG1 3.38Å; Y35-T59 WeakPolarHBondContact CA-OG1 3.23Å; Y35-T59 PolarHBondContact O-N 2.81Å; Y35-T59 PolarHBondContact O-OG1 3.19Å; T59-T61 VanDerWaalsContact C-N 3.31Å; T59-T61 PolarHBondContact O-N 3.43Å; T59-I62 HydrophobicContact CG2-CD1 4.25Å; T59-I62 CarbonylContact O-C 3.51Å; T59-I62 PolarHBondContact O-N 3.18Å; T59-H63 WeakPolarHBondContact O-CB 3.21Å; T59-H63 PolarHBondContact O-CD2 2.78Å; T59-H63 VanDerWaalsContact O-CD2 3.22Å; T59-H63 PolarHBondContact O-N 2.83Å
60A68.7Low65.9Low60 Ų6075.2 Ų75.250%0.49639%0.385SS..Hα-helixtrans-57.8-45.616900000111E58 I62 H63 E64E58-A60 HydrophobicContact CB-CB 4.35Å; E58-A60 PolarHBondContact O-N 3.25Å; A60-I62 VanDerWaalsContact C-N 3.31Å; A60-I62 PolarHBondContact O-N 2.87Å; A60-H63 PolarHBondContact O-N 2.97Å; A60-E64 WeakPolarHBondContact O-CB 3.36Å; A60-E64 PolarHBondContact O-N 3.38Å
61T61.2Low65.6Low53 Ų5371.3 Ų71.333%0.32538%0.375SS..Hα-helixtrans-61.3-39174.3-42.40000111.7E58 T59 A65E58-T61 WeakPolarHBondContact O-CB 3.43Å; E58-T61 PolarHBondContact O-N 3.21Å; E58-T61 PolarHBondContact O-OG1 2.99Å; T59-T61 VanDerWaalsContact C-N 3.31Å; T59-T61 PolarHBondContact O-N 3.43Å; T61-A65 WeakPolarHBondContact O-CB 3.36Å; T61-A65 PolarHBondContact O-N 3.5Å
62I62.3Low64.7Low58 Ų5874.9 Ų74.930%0.29740%0.398SS..Hα-helixtrans-71.5-41178-54.8179.9000111.1V37 T59 A60 A65 L66V37-I62 HydrophobicContact CB-CD1 4.42Å; V37-I62 HydrophobicContact CG2-CD1 3.65Å; T59-I62 HydrophobicContact CG2-CD1 4.25Å; T59-I62 CarbonylContact O-C 3.51Å; T59-I62 PolarHBondContact O-N 3.18Å; A60-I62 VanDerWaalsContact C-N 3.31Å; A60-I62 PolarHBondContact O-N 2.87Å; I62-A65 WeakPolarHBondContact O-CB 3.1Å; I62-A65 PolarHBondContact O-N 3.19Å; I62-L66 HydrophobicContact CG2-CD1 3.88Å; I62-L66 HydrophobicContact CG2-CG 4.32Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 VanDerWaalsContact O-CG 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.25Å; I62-L66 PolarHBondContact O-N 2.88Å
63H60.3Low63.1Low117 Ų11776.6 Ų76.654%0.54242%0.418SS..Hα-helixtrans-71.3-32.7176.2-83.8-68.3000112.1T59 A60 A65 L66 S67T59-H63 WeakPolarHBondContact O-CB 3.21Å; T59-H63 PolarHBondContact O-CD2 2.78Å; T59-H63 VanDerWaalsContact O-CD2 3.22Å; T59-H63 PolarHBondContact O-N 2.83Å; A60-H63 PolarHBondContact O-N 2.97Å; H63-A65 VanDerWaalsContact C-N 3.35Å; H63-L66 PolarHBondContact O-N 3.12Å; H63-S67 WeakPolarHBondContact O-CB 3.47Å; H63-S67 PolarHBondContact O-N 2.98Å; H63-S67 PolarHBondContact O-OG 3.31Å
64E60.8Low61.2Low107 Ų10781.4 Ų81.450%0.545%0.452SS..Hα-helixtrans-64.5-42.3169.5-165.2-169.5161.700110.4A60 S67 K68A60-E64 WeakPolarHBondContact O-CB 3.36Å; A60-E64 PolarHBondContact O-N 3.38Å; E64-S67 PolarHBondContact O-OG 3.5Å; E64-K68 VanDerWaalsContact O-CD 3.32Å; E64-K68 WeakPolarHBondContact O-CD 3.49Å; E64-K68 VanDerWaalsContact O-CG 3.25Å; E64-K68 WeakPolarHBondContact O-CG 3.28Å; E64-K68 PolarHBondContact O-N 2.78Å; E64-K68 WeakPolarHBondContact OE1-CE 3.5Å; E64-K68 IonicContact OE1-NZ 2.76Å; E64-K68 PolarHBondContact OE1-NZ 3.13Å
65A57.6Low58.9Low51 Ų5185.3 Ų85.342%0.42148%0.48SS..Hα-helixtrans-64.4-42.7173.700000112.7T61 I62 H63 V69T61-A65 WeakPolarHBondContact O-CB 3.36Å; T61-A65 PolarHBondContact O-N 3.5Å; I62-A65 WeakPolarHBondContact O-CB 3.1Å; I62-A65 PolarHBondContact O-N 3.19Å; H63-A65 VanDerWaalsContact C-N 3.35Å; A65-V69 WeakPolarHBondContact O-CG2 3.48Å
66L58.2Low56.4Low103 Ų10391.2 Ų91.254%0.53951%0.51SS..Hα-helixtrans-78-33.9-178-70.9173.3000113.8I62 H63 K68 V69I62-L66 HydrophobicContact CG2-CD1 3.88Å; I62-L66 HydrophobicContact CG2-CG 4.32Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 VanDerWaalsContact O-CG 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.25Å; I62-L66 PolarHBondContact O-N 2.88Å; H63-L66 PolarHBondContact O-N 3.12Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.31Å; L66-V69 WeakPolarHBondContact O-CA 3.31Å; L66-V69 WeakPolarHBondContact O-CB 3.34Å; L66-V69 PolarHBondContact O-N 2.87Å
67S52.1Low53.9Low71 Ų7198.8 Ų98.850%0.49754%0.543SS..Hα-helixtrans-68.1-32.1178.156.30000111.9H63 E64 V69 R70H63-S67 WeakPolarHBondContact O-CB 3.47Å; H63-S67 PolarHBondContact O-N 2.98Å; H63-S67 PolarHBondContact O-OG 3.31Å; E64-S67 PolarHBondContact O-OG 3.5Å; S67-V69 PolarHBondContact O-N 2.56Å; S67-R70 PolarHBondContact O-N 3.34Å
68K52.8Low51.5Low120 Ų120101.7 Ų101.752%0.52256%0.561SS.*THydrogen-bonded Turntrans-67.3-12.4169.1-68.1170.3-172.7171.60113.5E64 L66 F423E64-K68 VanDerWaalsContact O-CD 3.32Å; E64-K68 WeakPolarHBondContact O-CD 3.49Å; E64-K68 VanDerWaalsContact O-CG 3.25Å; E64-K68 WeakPolarHBondContact O-CG 3.28Å; E64-K68 PolarHBondContact O-N 2.78Å; E64-K68 WeakPolarHBondContact OE1-CE 3.5Å; E64-K68 IonicContact OE1-NZ 2.76Å; E64-K68 PolarHBondContact OE1-NZ 3.13Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.31Å; K68-F423 HydrophobicContact CB-CE1 3.9Å; K68-F423 HydrophobicContact CD-CE1 4.49Å
69V54.9Low49.3Very low68 Ų68110.6 Ų110.641%0.41259%0.591SS.*THydrogen-bonded Turntrans-94.27.1177.3178.60000112.3A65 L66 S67 T71 F423A65-V69 WeakPolarHBondContact O-CG2 3.48Å; L66-V69 WeakPolarHBondContact O-CA 3.31Å; L66-V69 WeakPolarHBondContact O-CB 3.34Å; L66-V69 PolarHBondContact O-N 2.87Å; S67-V69 PolarHBondContact O-N 2.56Å; V69-T71 VanDerWaalsContact C-N 3.35Å; V69-T71 PolarHBondContact O-N 2.94Å; V69-F423 HydrophobicContact CG2-CZ 3.94Å
70R43.7Very low47.4Very low228 Ų228117.3 Ų117.386%0.8663%0.626SS**  trans-64.790.5170.7-90.1-173.8168.5165.8-1.6111.9S67S67-R70 PolarHBondContact O-N 3.34Å
71T45.4Very low45.9Very low122 Ų122125.4 Ų125.475%0.74864%0.644SS**  trans-59.1137.5155.537.20000109.3V69 S73V69-T71 VanDerWaalsContact C-N 3.35Å; V69-T71 PolarHBondContact O-N 2.94Å; T71-S73 PolarHBondContact O-N 2.83Å
72P40.1Very low44.8Very low116 Ų116128.8 Ų128.875%0.75367%0.667SS**  trans-63.1132.4169.426.9-32000108.3S74P72-S74 VanDerWaalsContact C-N 3.33Å; P72-S74 PolarHBondContact O-N 3.4Å
73S35.3Very low43.6Very low114 Ų114132.6 Ų132.680%0.79769%0.693SS**  trans-62.391.8175.9-179.60000110.2T71 S75T71-S73 PolarHBondContact O-N 2.83Å; S73-S75 PolarHBondContact O-N 2.76Å
74S36.7Very low42.8Very low109 Ų109136.1 Ų136.176%0.76271%0.71SS**  trans-70.883.3159500000107.2P72 I76P72-S74 VanDerWaalsContact C-N 3.33Å; P72-S74 PolarHBondContact O-N 3.4Å; S74-I76 PolarHBondContact O-N 2.98Å
75S33.6Very low42Very low86 Ų86136.4 Ų136.460%0.60172%0.724SS**  trans-37.3108.1177.649.90000111.6S73 K77S73-S75 PolarHBondContact O-N 2.76Å; S75-K77 PolarHBondContact O-N 3.39Å
76I33.6Very low41.3Very low152 Ų152140.2 Ų140.278%0.77974%0.742SS**  trans-67.789.7166.6-62177.5000105.1S74 L78S74-I76 PolarHBondContact O-N 2.98Å; I76-L78 HydrophobicContact CG2-CD1 4.43Å; I76-L78 PolarHBondContact O-N 3.04Å
77K35Very low40.4Very low180 Ų180140.7 Ų140.778%0.78375%0.751SS**  trans-61.294.6162.1-74.6-173.6176.5-1790106.2S75 R79S75-K77 PolarHBondContact O-N 3.39Å; K77-R79 PolarHBondContact O-N 2.94Å
78L32.9Very low39.9Very low144 Ų144142.3 Ų142.375%0.75476%0.762SS**  trans-50.3116.4158.7-8990.6000106.1I76 L80I76-L78 HydrophobicContact CG2-CD1 4.43Å; I76-L78 PolarHBondContact O-N 3.04Å; L78-L80 PolarHBondContact O-N 3.29Å
79R33.9Very low39.6Very low247 Ų247144.3 Ų144.393%0.93278%0.778SS**  trans-68.382.1168.6-84.6-177.6167.3175.1-4.2107.8K77 R81K77-R79 PolarHBondContact O-N 2.94Å; R79-R81 PolarHBondContact O-N 2.77Å
80L35.5Very low39.1Very low158 Ų158145.5 Ų145.583%0.82779%0.789SS**PPolyproline II helixtrans-52.1126.6156.2-78.3157.6000106.9L78L78-L80 PolarHBondContact O-N 3.29Å
81R37.6Very low39.2Very low229 Ų229143.7 Ų143.786%0.86479%0.79SS**PPolyproline II helixtrans-51.8138.3176.8-90176.5164.1173.7-6.2109.2R79 T83R79-R81 PolarHBondContact O-N 2.77Å; R81-T83 PolarHBondContact O-N 3.31Å; R81-T83 VanDerWaalsContact O-N 3.11Å
82P38.2Very low39.3Very low124 Ų124143 Ų14381%0.80579%0.791SS**PPolyproline II helixtrans-61.4117.5171.9-18.631.1000109.6Q84P82-Q84 PolarHBondContact O-N 2.99Å
83T36.6Very low39.7Very low139 Ų139149.4 Ų149.485%0.85380%0.8SS**  trans-64.1111.4165.5-16.20000107.5R81 S85R81-T83 PolarHBondContact O-N 3.31Å; R81-T83 VanDerWaalsContact O-N 3.11Å; T83-S85 PolarHBondContact O-N 2.89Å
84Q44.1Very low40.2Very low191 Ų191148.6 Ų148.689%0.89379%0.792SS**  trans-76108.3169.4-80.4-177.1-24.900108.9P82P82-Q84 PolarHBondContact O-N 2.99Å
85S43.5Very low40.7Very low113 Ų113150.7 Ų150.779%0.7980%0.795SS**  trans-85.8121.9163.648.70000109.9T83T83-S85 PolarHBondContact O-N 2.89Å
86T43.3Very low41.3Very low131 Ų131151.1 Ų151.180%0.80480%0.803SS**  trans-49.6165.5165.87.90000112.9
87P40.4Very low42.1Very low112 Ų112152.8 Ų152.873%0.72781%0.805SS**  -150.2-174.854.241-19.3000118.7
88S41.6Very low42.7Very low105 Ų105149.1 Ų149.173%0.73480%0.802SS**  trans77.9138.1169.274.60000117.3
89L45.3Very low43.5Very low162 Ų162147 Ų14785%0.84880%0.799SS**  cis-163.2175.9-15.4-124.3147.9000108.8
90S43.9Very low44.2Very low93 Ų93140.6 Ų140.665%0.6579%0.792SS**  trans66.4108179.666.40000116.1
91E46.1Very low44.8Very low191 Ų191138 Ų13889%0.89379%0.787SS**  84.3133.791.7-76.7173134.200112.8
92S47.3Very low45.4Very low108 Ų108130.9 Ų130.976%0.75577%0.773SS**  cis-160.2129.36.3530000114
93R49.7Very low45.9Very low249 Ų249133.5 Ų133.594%0.9477%0.774SS**  trans53.4161144.4-80.7-161.6168.5175-1.6123.5
94P46.3Very low46.5Very low97 Ų97131.3 Ų131.363%0.6377%0.765SS**  trans-125-177.4-149.944.4-30.3000114.9
95D46.8Very low46.7Very low154 Ų154127.3 Ų127.382%0.82476%0.758SS**  177.5151.2120.7-96.2-32.2000114.6
96A46Very low47Very low95 Ų95127.1 Ų127.179%0.78576%0.756SS**  trans61.9162.215200000121.6
97K49.2Very low47.2Very low187 Ų187125.4 Ų125.481%0.81375%0.75SS**  cis-177146.2-38-156.9176.1-169176.10107.6
98S48.2Very low47.5Very low102 Ų102125.2 Ų125.271%0.71375%0.751SS**  trans66.5161.3162.17.30000116.9
99S49.3Very low47.7Very low99 Ų99125 Ų12569%0.69275%0.75SS**  cis-178.7178.2-22.347.60000109.9
100S49Very low47.7Very low113 Ų113122 Ų12279%0.7974%0.742SS**  trans68.115516473.30000117.1
101S48.9Very low47.7Very low104 Ų104125.9 Ų125.973%0.72775%0.75SS**  cis-168.3177.5-22.150.40000105.2
102S50Low47.6Very low80 Ų80124.3 Ų124.356%0.55975%0.748SS**  cis-162.8145.131.6-52.20000108.2
103E49Very low47.4Very low179 Ų179127.9 Ų127.984%0.83675%0.753SS**  79.5145.2107.2-71.3170176.400116.4
104S48.9Very low47.3Very low93 Ų93122.9 Ų122.965%0.6575%0.749SS**  cis-170.2161.8-10.350.20000111.6
105S47.8Very low47.2Very low107 Ų107125.3 Ų125.375%0.74876%0.755SS**  trans59.8153.1146.854.50000120.2
106S49.3Very low47.2Very low108 Ų108123.2 Ų123.276%0.75575%0.75SS**  cis179.3163.9-11.551.70000107
107S48.2Very low47.4Very low96 Ų96128.4 Ų128.467%0.67176%0.755SS**  cis-175.2156.8-16.246.90000108.9
108S46.5Very low47Very low107 Ų107130.3 Ų130.375%0.74876%0.757SS**  trans56.4153.3149.258.90000122.2
109S46.3Very low46.6Very low102 Ų102130.5 Ų130.571%0.71375%0.754SS**  cis175.6161.4-33.750.60000109.1
110S44.3Very low46.6Very low99 Ų99132.6 Ų132.669%0.69276%0.763SS**  trans74.7108.5159.6-50.30000117.1
111Q44.7Very low46.4Very low173 Ų173131.4 Ų131.481%0.80876%0.76SS**  82.3112.276.4-82.1-175-18.500114.8
112N44.7Very low46.3Very low159 Ų159132.3 Ų132.385%0.8576%0.763SS**  -176.3150.3110.8-92.1-21.2000113
113E41.8Very low46.2Very low183 Ų183132.8 Ų132.886%0.85577%0.772SS**  trans-75.1162.7174.3-66.2170.591.200112.9
114V49.1Very low46.1Very low143 Ų143133.9 Ų133.987%0.86777%0.774SS**  -178.4140.9122.7152.90000110.1
115I43.1Very low45.9Very low149 Ų149135.3 Ų135.376%0.76478%0.781SS**  trans-139.4161.5-176.7-59.3176.2000106.1
116P48Very low46.1Very low109 Ų109136.2 Ų136.271%0.70878%0.784SS**  cis-128.3-178.1-36.538.5-23.5000113.2
117K48.2Very low46.1Very low204 Ų204142.7 Ų142.789%0.88779%0.792SS**  -170.3134.5127.1-111.5168.1-177.7172.50116.8
118R42Very low45.7Very low227 Ų227148.2 Ų148.286%0.85780%0.804SS**  trans-16.7154.2141.9-115.7-171.2178.9169-1.4115.9
119T40Very low45.8Very low107 Ų107149 Ų14966%0.65681%0.81SS**  cis-166.5152.29.2-27.80000108.7
120T48.5Very low45.6Very low142 Ų142153.6 Ų153.687%0.87182%0.817SS**  172.8146.4128.728.40000113.3
121A45.8Very low45.3Very low89 Ų89157.5 Ų157.574%0.73683%0.826SS**  trans-118.1-179.9159.100000106.2
122P46.4Very low45.1Very low122 Ų122155.4 Ų155.479%0.79283%0.825SS**  cis-144.3-169.411.539.7-17.4000116.5
123A48.5Very low44.6Very low90 Ų90157.2 Ų157.274%0.74483%0.825SS**  trans114.6122.7135.900000121.6
124K45.3Very low44.6Very low203 Ų203153.6 Ų153.688%0.88382%0.818SS**  trans73.2127.1150.3-87.1178.1175.7173.10121.3
125P45.4Very low43.8Very low122 Ų122152.4 Ų152.479%0.79282%0.816SS**  trans-99.6154.5178.538.8-34.4000114
126P52.2Low43.7Very low126 Ų126154 Ų15482%0.81882%0.82SS**  trans-96.3129.7167.634-29.2000113.9
127R49.7Very low43.3Very low245 Ų245154.6 Ų154.693%0.92582%0.822SS**  trans10.9136.1154-78.5175.2166.1173.5-5.3122.5
128K39.9Very low42.7Very low211 Ų211150.6 Ų150.692%0.91782%0.817SS**  trans-39.4136.8159.2-57.9170.2177.4177.90115.1
129S48.5Very low42.3Very low124 Ų124148.5 Ų148.587%0.86782%0.816SS**  trans-125146.6155.7-70.90000110.1
130K41.7Very low41.9Very low199 Ų199149 Ų14987%0.86582%0.822SS**  trans-91.6164.8-176.4-69.4176.2173.5177.10111.9
131M38.3Very low41.1Very low181 Ų181148.2 Ų148.289%0.89282%0.817SS**  trans71144.9170-60.3162.565.300113.3
132V39.4Very low40.3Very low129 Ų129147.9 Ų147.978%0.78281%0.807SS**  cis-127.1148.223.2173.30000111.6P134V132-P134 WeakPolarHBondContact O-CD 3.07Å
133K34.7Very low39.6Very low196 Ų196149.8 Ų149.885%0.85281%0.811SS**  trans-78.8116.1174.3-179.9-179.1-179.1-177.90109.7S135K133-S135 PolarHBondContact O-N 3.32Å
134P40.9Very low38.7Very low108 Ų108149 Ų14970%0.70179%0.789SS**  trans-68.5130174.2-16.431.4000109.9V132 Q136V132-P134 WeakPolarHBondContact O-CD 3.07Å; P134-Q136 PolarHBondContact O-N 2.95Å
135S34.1Very low38.2Very low117 Ų117143 Ų14382%0.81877%0.771SS**  trans-70.3115171.6-164.30000108.7K133 T137K133-S135 PolarHBondContact O-N 3.32Å; S135-T137 PolarHBondContact O-N 2.91Å
136Q40.1Very low37.6Very low183 Ų183143 Ų14386%0.85577%0.768SS**  trans-80.7105.9173.3-77.1-177.8-20.900109.1P134P134-Q136 PolarHBondContact O-N 2.95Å
137T39.2Very low36.9Very low122 Ų122141 Ų14175%0.74876%0.758SS**  trans-56.1134.1165.5-40.80000109S135 Q139S135-T137 PolarHBondContact O-N 2.91Å; T137-Q139 PolarHBondContact O-N 2.93Å; T137-Q139 VanDerWaalsContact O-N 3.09Å
138P35.2Very low36.2Very low120 Ų120132.9 Ų132.978%0.77973%0.73SS**  trans-61.9115.5178-2132.4000110.6
139Q35.1Very low36.2Very low182 Ų182131.5 Ų131.585%0.8572%0.724SS**PPolyproline II helixtrans-71.2140163.7-87.5-170.2-81.400108.9T137 T141T137-Q139 PolarHBondContact O-N 2.93Å; T137-Q139 VanDerWaalsContact O-N 3.09Å; Q139-T141 PolarHBondContact O-N 2.77Å
140P31.5Very low36.3Very low118 Ų118128.8 Ų128.877%0.76670%0.699SS**PPolyproline II helixtrans-63.1126.1-179.325.7-33.7000110.5
141T30.4Very low36.8Very low125 Ų125120.3 Ų120.377%0.76766%0.664SS**PPolyproline II helixtrans-59.7127.5168.929.50000109.9Q139 D143Q139-T141 PolarHBondContact O-N 2.77Å; T141-D143 PolarHBondContact O-N 3.27Å
142P30.3Very low36.8Very low83 Ų83117 Ų11754%0.53966%0.659SS.*PPolyproline II helixtrans-65.4126169.9-17.230.5000109.8Y144P142-Y144 HydrophobicContact CB-CE2 4.1Å; P142-Y144 HydrophobicContact CG-CE2 4.39Å; P142-Y144 WeakPolarHBondContact O-CD2 3.26Å; P142-Y144 PolarHBondContact O-N 2.76Å; P142-Y144 VanDerWaalsContact O-N 3.07Å
143D30.4Very low36.8Very low161 Ų161118.7 Ų118.786%0.86166%0.658SS**  trans-67.2104.9168.9-84.2-42.4000109.4T141 P145T141-D143 PolarHBondContact O-N 3.27Å; D143-P145 WeakPolarHBondContact O-CD 3.29Å
144Y30.7Very low36.7Very low75 Ų75112.3 Ų112.329%0.29465%0.648SS.*PPolyproline II helixtrans-81.5117.7174.7-70.4-86.8000109.5P142 V146 P399P142-Y144 HydrophobicContact CB-CE2 4.1Å; P142-Y144 HydrophobicContact CG-CE2 4.39Å; P142-Y144 WeakPolarHBondContact O-CD2 3.26Å; P142-Y144 PolarHBondContact O-N 2.76Å; P142-Y144 VanDerWaalsContact O-N 3.07Å; Y144-V146 PolarHBondContact O-N 2.81Å; Y144-P399 HydrophobicContact CE2-CG 3.93Å
145P34.9Very low36.3Very low77 Ų77115.9 Ų115.950%0.565%0.653SS.*PPolyproline II helixtrans-64.2132.1-177.824.4-32.8000111.7D143D143-P145 WeakPolarHBondContact O-CD 3.29Å
146V33Very low36Very low120 Ų120117.3 Ų117.373%0.72766%0.656SS**PPolyproline II helixtrans-62.2148179.5177.90000111Y144 H148Y144-V146 PolarHBondContact O-N 2.81Å; V146-H148 PolarHBondContact O-N 3.03Å
147S36.2Very low35.5Very low86 Ų86116.2 Ų116.260%0.60165%0.651SS**  trans-40.4110.5176.2-1780000113
148H35.1Very low34.9Very low74 Ų74120 Ų12034%0.34366%0.657SS.*PPolyproline II helixtrans-80.3132.7179.9-68.1-69.1000111.3V146 Y318 R330V146-H148 PolarHBondContact O-N 3.03Å; H148-Y318 PolarHBondContact CD2-OH 3.19Å; H148-R330 VanDerWaalsContact CB-CZ 3.49Å; H148-R330 VanDerWaalsContact O-CZ 3.28Å; H148-R330 PolarHBondContact O-NE 2.91Å; H148-R330 PolarHBondContact O-NH2 2.78Å; H148-R330 VanDerWaalsContact O-NH2 3.13Å
149K39.8Very low34.7Very low181 Ų181121.7 Ų121.779%0.78766%0.659SS**PPolyproline II helixtrans-59.1147.7178.9-151.2165.8-174172.50111.8R330K149-R330 PolarHBondContact O-NH2 2.82Å
150I51.7Low34.4Very low67 Ų67121.2 Ų121.234%0.34466%0.662SS.*PPolyproline II helixtrans-69.3147.4178.4-65.7174.1000110S152 A184 V328I150-S152 PolarHBondContact O-N 3.44Å; I150-A184 HydrophobicContact CG2-CB 3.8Å; I150-V328 WeakPolarHBondContact CD1-O 3.32Å
151C51.3Low34.3Very low21 Ų21118.6 Ų118.614%0.14266%0.657CS.*  trans-71.584.7-178.6-52.40000112.1H153 C181 L182C151-H153 VanDerWaalsContact C-N 3.29Å; C151-H153 PolarHBondContact O-N 3.25Å; C151-C181 HydrophobicContact CB-CB 4Å; C151-C181 WeakPolarHBondContact CB-SG 3.47Å; C151-C181 WeakPolarHBondContact SG-CA 3.49Å; C151-C181 WeakPolarHBondContact SG-CB 3.42Å; C151-C181 CovalentContact SG-SG 2.01Å; C151-C181 PolarHBondContact SG-SG 3.48Å; C151-L182 PolarHBondContact SG-N 3.07Å; C151-L182 PolarHBondContact SG-O 2.87Å
152S38.9Very low34Very low112 Ų112119.6 Ų119.678%0.78366%0.663SS**  trans-73.680.1172.9-63.20000111.1I150 G154I150-S152 PolarHBondContact O-N 3.44Å; S152-G154 PolarHBondContact O-N 3.31Å
153H39.8Very low33.9Very low164 Ų164125.5 Ų125.576%0.75968%0.68SS**  trans-74.960.3161.2-74.6-69.2000110.5C151 K155C151-H153 VanDerWaalsContact C-N 3.29Å; C151-H153 PolarHBondContact O-N 3.25Å; H153-K155 PolarHBondContact O-N 3.3Å
154G31.3Very low33.8Very low62 Ų62123.2 Ų123.264%0.63967%0.672SS**  trans-71.8108.5165.700000108.8S152 T156S152-G154 PolarHBondContact O-N 3.31Å; G154-T156 PolarHBondContact O-N 2.96Å
155K32.4Very low33.6Very low184 Ų184127 Ų12780%0.870%0.698SS**  trans-62.7123.3152.3-85.2-173.7171.7-173.60106.6H153 E157H153-K155 PolarHBondContact O-N 3.3Å; K155-E157 PolarHBondContact O-N 3.37Å
156T28.7Very low33.2Very low146 Ų146127.2 Ų127.290%0.89670%0.701SS**  trans-71.674.117315.60000110.3G154G154-T156 PolarHBondContact O-N 2.96Å
157E30.5Very low33.1Very low160 Ų160127.5 Ų127.575%0.74870%0.703SS**  trans-80115160.9-76.3-179.1-174.300108.4K155 L159K155-E157 PolarHBondContact O-N 3.37Å; E157-L159 PolarHBondContact O-N 3.32Å
158K24.8Very low32.8Very low201 Ų201131.8 Ų131.887%0.87471%0.713SS**  trans-67.6101.2177.6-70.8178.8175.6179.60109.5
159L32.4Very low32.4Very low156 Ų156135.7 Ų135.782%0.81774%0.737SS**  trans-97.7127.2150.2-97.584.8000109.3E157 G161E157-L159 PolarHBondContact O-N 3.32Å; L159-G161 PolarHBondContact O-N 2.97Å; L159-G161 VanDerWaalsContact O-N 3.13Å
160N28.7Very low31.8Very low172 Ų172131.5 Ų131.592%0.9273%0.73SS**  trans-67.3106.9170.3-71.8-21000108.6
161G29.3Very low30.7Very low63 Ų63136.2 Ų136.265%0.64975%0.75SS**  trans171.595.7-178.700000110.7L159 F163L159-G161 PolarHBondContact O-N 2.97Å; L159-G161 VanDerWaalsContact O-N 3.13Å; G161-F163 PolarHBondContact O-N 2.87Å; G161-F163 VanDerWaalsContact O-N 3.14Å
162T24.9Very low29.5Very low146 Ų146142.9 Ų142.990%0.89678%0.783SS**  trans-32.8111.1173.7430000114.2
163F28Very low29.1Very low207 Ų207145.1 Ų145.191%0.90879%0.785SS**  trans-123.7128.3153.8-147.2-92.4000108.9G161 D165G161-F163 PolarHBondContact O-N 2.87Å; G161-F163 VanDerWaalsContact O-N 3.14Å; F163-D165 PolarHBondContact O-N 3.28Å
164V28.2Very low28.3Very low114 Ų114145.2 Ų145.269%0.69179%0.791SS**  trans-80.3106.2-168.7178.70000109.7S166V164-S166 PolarHBondContact O-N 3Å
165D25.8Very low28Very low155 Ų155145.1 Ų145.183%0.82979%0.791SS**  trans-65.9116.7168.5-168.714.1000109F163F163-D165 PolarHBondContact O-N 3.28Å
166S27.4Very low27.7Very low80 Ų80142.3 Ų142.356%0.55979%0.789SS**  trans-116.6130.9-176.9-65.50000110.8V164V164-S166 PolarHBondContact O-N 3Å
167T30.1Very low27.6Very low126 Ų126148.1 Ų148.177%0.77380%0.795SS**  trans73.482.8173.159.80000117.3
168Q29.1Very low27.8Very low177 Ų177148.3 Ų148.383%0.82780%0.796SS**  trans-50.6173.2138.3-65173.3-27.200112.6
169N27.6Very low28.6Very low156 Ų156143.6 Ų143.683%0.83478%0.78SS**  trans81.3134.1-179.9-56.9-20.4000114.6
170S27.2Very low29.7Very low92 Ų92138.3 Ų138.364%0.64376%0.763SS**  cis-162173.5-4.646.70000112
171H28.3Very low31.5Very low166 Ų166133.8 Ų133.877%0.76974%0.744SS**  trans67.594.3168.7-60.5-67.1000119.3L173H171-L173 PolarHBondContact O-N 2.84Å
172I25.4Very low33.6Very low162 Ų162131 Ų13183%0.83171%0.714SS**  trans-58.2123.4148.5-62163.6000108.3
173L30.4Very low35.8Very low158 Ų158126 Ų12683%0.82768%0.684SS**  trans-130.2123.8166.7-110.2161.1000107.9H171 G175H171-L173 PolarHBondContact O-N 2.84Å; L173-G175 PolarHBondContact O-N 2.76Å
174N23.9Very low37.9Very low166 Ų166117.1 Ų117.189%0.88865%0.649SS**  trans-67.497.9-176-76.7-25.8000110.6
175G25.3Very low40.2Very low61 Ų61112 Ų11263%0.62962%0.619SS**  trans-120.4131.6169.900000110.2L173L173-G175 PolarHBondContact O-N 2.76Å
176T25.9Very low43.1Very low124 Ų124105 Ų10576%0.76158%0.582SS**  trans-42.8138.5-176.337.30000115.6E178T176-E178 PolarHBondContact O-N 2.76Å
177W27Very low45.9Very low268 Ų268101.4 Ų101.4100%1.01556%0.556SS**THydrogen-bonded Turntrans-69.428.3-169.3-9455.7000117.2
178E34.3Very low48.7Very low165 Ų16595.5 Ų95.577%0.77152%0.52SS*.THydrogen-bonded Turntrans-87.7-8.9-175.3-68.8-158.311800115.5T176 G180T176-E178 PolarHBondContact O-N 2.76Å; E178-G180 PolarHBondContact O-N 3.44Å; E178-G180 VanDerWaalsContact O-N 3.12Å
179N42.5Very low51.5Low101 Ų10187.6 Ų87.654%0.5448%0.483SS..  trans-89.382-173-74.5-36000113.6C181N179-C181 PolarHBondContact O-N 2.71Å
180G54Low54.5Low45 Ų4580.3 Ų80.346%0.46444%0.444SS..PPolyproline II helixtrans-51.8124.9171.700000112.8E178 L182 W380E178-G180 PolarHBondContact O-N 3.44Å; E178-G180 VanDerWaalsContact O-N 3.12Å; G180-L182 PolarHBondContact O-N 3.39Å; G180-W380 PolarHBondContact O-NE1 3.49Å
181C67.4Low57.3Low77 Ų7776.9 Ų76.952%0.5242%0.419SS..PPolyproline II helixtrans-57.6123-167.1-1460000112.8C151 N179 P183C151-C181 HydrophobicContact CB-CB 4Å; C151-C181 WeakPolarHBondContact CB-SG 3.47Å; C151-C181 WeakPolarHBondContact SG-CA 3.49Å; C151-C181 WeakPolarHBondContact SG-CB 3.42Å; C151-C181 CovalentContact SG-SG 2.01Å; C151-C181 PolarHBondContact SG-SG 3.48Å; N179-C181 PolarHBondContact O-N 2.71Å; C181-P183 WeakPolarHBondContact O-CD 3.45Å
182L72.3Confident59.8Low5 Ų570.2 Ų70.23%0.02639%0.389CS..PPolyproline II helixtrans-74117.3179.9-173.875.4000110.7C151 G180 Y302 Y318 I320 R330 V373 W380C151-L182 PolarHBondContact SG-N 3.07Å; C151-L182 PolarHBondContact SG-O 2.87Å; G180-L182 PolarHBondContact O-N 3.39Å; L182-Y302 HydrophobicContact CD1-CE1 3.65Å; L182-Y302 WeakPolarHBondContact CD1-OH 3.37Å; L182-Y302 HydrophobicContact CG-CE1 4.36Å; L182-Y302 WeakPolarHBondContact CG-OH 3.39Å; L182-Y318 HydrophobicContact CD2-CD2 4.34Å; L182-Y318 HydrophobicContact CD2-CG 4.37Å; L182-I320 HydrophobicContact CD2-CD1 4.12Å; L182-I320 HydrophobicContact CD2-CG1 4.46Å; L182-R330 VanDerWaalsContact CB-NH1 3.28Å; L182-R330 HydrophobicContact CD2-CB 4.5Å; L182-R330 VanDerWaalsContact CD2-CD 3.43Å; L182-V373 HydrophobicContact CD1-CG2 4.06Å; L182-V373 HydrophobicContact CD2-CG2 4.49Å; L182-W380 HydrophobicContact CD1-CB 3.93Å; L182-W380 HydrophobicContact CD1-CD2 3.2Å; L182-W380 HydrophobicContact CD1-CE3 3.5Å; L182-W380 VanDerWaalsContact CD1-CE3 3.5Å; L182-W380 HydrophobicContact CD1-CG 3.39Å; L182-W380 HydrophobicContact CD1-CZ2 4.27Å; L182-W380 HydrophobicContact CD1-CZ3 4.15Å
183P71Confident62.2Low40 Ų4066.1 Ų66.126%0.2637%0.369SS..PPolyproline II helixtrans-62.9156.6-176.326.4-35.2000112.8C181 K300 Y302C181-P183 WeakPolarHBondContact O-CD 3.45Å; P183-K300 HydrophobicContact CB-CB 4.39Å; P183-Y302 HydrophobicContact CG-CD1 4.49Å; P183-Y302 HydrophobicContact CG-CE1 3.75Å; P183-Y302 PolarHBondContact O-OH 3.32Å
184A72.4Confident63.9Low21 Ų2162 Ų6217%0.17435%0.354CS..BIsolated β-bridgetrans-68.6135.7170.500000109.8I150 L299 K300I150-A184 HydrophobicContact CG2-CB 3.8Å; A184-L299 HydrophobicContact CB-CD2 3.68Å; A184-L299 WeakPolarHBondContact O-CA 3.35Å; A184-K300 PolarHBondContact O-N 2.84Å; A184-K300 VanDerWaalsContact O-N 3.11Å
185A77.8Confident65.5Low7 Ų757 Ų576%0.05833%0.326CS..  trans-112.2142.3-172.400000111.5I187 I205 Y302 I320A185-I187 VanDerWaalsContact C-N 3.26Å; A185-I187 HydrophobicContact CB-CD1 4.23Å; A185-I187 HydrophobicContact CB-CG1 4.33Å; A185-I187 PolarHBondContact O-N 3.36Å; A185-I205 HydrophobicContact CB-CD1 4.31Å; A185-Y302 HydrophobicContact CB-CD2 4.36Å; A185-Y302 HydrophobicContact CB-CE2 3.45Å; A185-Y302 VanDerWaalsContact CB-CE2 3.45Å; A185-I320 HydrophobicContact CB-CD1 4.28Å; A185-I320 HydrophobicContact CB-CG2 4.42Å
186P84.7Confident66.5Low7 Ų760.5 Ų60.55%0.04534%0.336CS..  trans-80.873.9-17935.5-37.5000110.9I205 L206 L295 L299 P301P186-I205 HydrophobicContact CG-CG1 4.33Å; P186-L206 HydrophobicContact CB-CB 4Å; P186-L206 HydrophobicContact CB-CD1 4.1Å; P186-L206 HydrophobicContact CG-CB 3.92Å; P186-L206 PolarHBondContact O-N 3.06Å; P186-L295 HydrophobicContact CB-CD2 3.47Å; P186-L295 VanDerWaalsContact CB-CD2 3.47Å; P186-L295 HydrophobicContact CG-CD2 3.82Å; P186-L299 HydrophobicContact CB-CD1 4.44Å; P186-P301 HydrophobicContact CG-CB 4.17Å
187I87.9Confident67.2Low6 Ų656.3 Ų56.33%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-73.5143.3176.9-58.5-57.2000110.6A185 T203 G204 I205 I320 I322 V328 P371A185-I187 VanDerWaalsContact C-N 3.26Å; A185-I187 HydrophobicContact CB-CD1 4.23Å; A185-I187 HydrophobicContact CB-CG1 4.33Å; A185-I187 PolarHBondContact O-N 3.36Å; I187-T203 HydrophobicContact CG2-CG2 3.59Å; I187-G204 WeakPolarHBondContact CA-O 3.41Å; I187-I205 HydrophobicContact CD1-CB 4.29Å; I187-I205 HydrophobicContact CD1-CD1 4.49Å; I187-I205 HydrophobicContact CD1-CG1 4.39Å; I187-I320 HydrophobicContact CD1-CB 4.23Å; I187-I320 HydrophobicContact CD1-CG2 3.93Å; I187-I320 HydrophobicContact CG1-CG2 3.82Å; I187-I322 HydrophobicContact CG2-CD1 4.15Å; I187-I322 HydrophobicContact CG2-CG1 4.25Å; I187-V328 HydrophobicContact CB-CG1 4.41Å; I187-V328 HydrophobicContact CB-CG2 4.25Å; I187-V328 HydrophobicContact CG1-CG1 3.93Å; I187-P371 HydrophobicContact CD1-CG 3.75Å
188V88.2Confident68Low1 Ų146 Ų461%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-130.6156.5177.1-61.20000111.2G204 L206 V218 V235 Y236 V237V188-G204 PolarHBondContact N-O 3.17Å; V188-G204 PolarHBondContact O-N 3.22Å; V188-L206 HydrophobicContact CG1-CD1 3.78Å; V188-L206 HydrophobicContact CG1-CG 3.81Å; V188-V218 HydrophobicContact CG2-CB 4.4Å; V188-V218 HydrophobicContact CG2-CG1 3.55Å; V188-V218 HydrophobicContact CG2-CG2 3.89Å; V188-V235 HydrophobicContact CB-CG1 3.72Å; V188-V235 HydrophobicContact CG1-CG1 4.13Å; V188-V235 HydrophobicContact CG2-CG1 3.86Å; V188-Y236 CarbonylContact C-O 3.54Å; V188-Y236 VanDerWaalsContact CA-O 3.28Å; V188-Y236 WeakPolarHBondContact CA-O 3.48Å; V188-Y236 VanDerWaalsContact CB-O 3.3Å; V188-Y236 WeakPolarHBondContact CB-O 3.41Å; V188-V237 HydrophobicContact CG1-CB 4.38Å; V188-V237 HydrophobicContact CG1-CG1 4.29Å; V188-V237 HydrophobicContact CG1-CG2 4Å
189Q88.8Confident68.7Low11 Ų1144.8 Ų44.85%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-103.9133.6167.1-68.7-170.8-25.400110.6C202 V235 Y236 I322Q189-C202 CarbonylContact C-O 3.54Å; Q189-C202 WeakPolarHBondContact CA-O 3.42Å; Q189-V235 CarbonylContact O-C 3.44Å; Q189-V235 WeakPolarHBondContact O-CA 3.21Å; Q189-Y236 PolarHBondContact N-O 2.85Å; Q189-Y236 PolarHBondContact O-N 2.82Å; Q189-I322 HydrophobicContact CG-CD1 3.38Å
190I89.5Confident69.7Low3 Ų346.1 Ų46.12%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-104.3119.7173.4-52176.1000106.8G201 C202 V218 T220 V225 Y233 V235 V287I190-G201 CarbonylContact O-C 3.55Å; I190-G201 VanDerWaalsContact O-CA 3.3Å; I190-G201 WeakPolarHBondContact O-CA 3.46Å; I190-C202 HydrophobicContact CB-CB 4.37Å; I190-C202 PolarHBondContact N-O 2.81Å; I190-C202 PolarHBondContact O-N 2.89Å; I190-V218 HydrophobicContact CD1-CG1 4.09Å; I190-T220 HydrophobicContact CD1-CG2 3.52Å; I190-V225 HydrophobicContact CD1-CG1 4.49Å; I190-V225 HydrophobicContact CG2-CG1 3.8Å; I190-Y233 HydrophobicContact CG2-CD1 4.25Å; I190-V235 HydrophobicContact CG1-CG2 4.23Å; I190-V287 HydrophobicContact CD1-CG2 4.49Å
191V85.1Confident70.8Confident21 Ų2144.3 Ų44.313%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-115129.2-176.5-177.80000109.6Y233 K234 Y236 M241V191-Y233 WeakPolarHBondContact O-CA 3.36Å; V191-K234 PolarHBondContact N-O 3.17Å; V191-K234 PolarHBondContact O-N 3.44Å; V191-K234 VanDerWaalsContact O-N 3.07Å; V191-Y236 HydrophobicContact CB-CD2 4.37Å; V191-Y236 HydrophobicContact CB-CE2 4.03Å; V191-Y236 HydrophobicContact CG2-CD2 3.77Å; V191-Y236 HydrophobicContact CG2-CE2 3.8Å; V191-M241 HydrophobicContact CG2-CE 4.19Å
192D80.9Confident71.9Confident25 Ų2541.3 Ų41.313%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-81.6117170.4-166.8-39.2000109.4S194 K232 Y233D192-S194 VanDerWaalsContact C-N 3.3Å; D192-S194 WeakPolarHBondContact OD1-CB 3.49Å; D192-S194 PolarHBondContact OD1-N 3.05Å; D192-S194 PolarHBondContact OD1-OG 2.82Å; D192-K232 CarbonylContact C-O 3.48Å; D192-K232 VanDerWaalsContact CG-NZ 3.27Å; D192-K232 WeakPolarHBondContact OD1-CG 3.38Å; D192-K232 IonicContact OD1-NZ 2.71Å; D192-K232 PolarHBondContact OD1-NZ 2.98Å; D192-K232 VanDerWaalsContact OD1-NZ 3.15Å; D192-K232 WeakPolarHBondContact OD2-CE 3.37Å; D192-K232 IonicContact OD2-NZ 3.57Å; D192-K232 PolarHBondContact OD2-NZ 2.89Å; D192-Y233 HydrophobicContact CB-CD1 4.34Å; D192-Y233 HydrophobicContact CB-CE1 4.07Å
193L76.8Confident72.8Confident76 Ų7641 Ų4140%0.39823%0.234SC..SBendtrans-80.9-7.2-179.1-62.1-172.8000113.8K232 K234L193-K232 PolarHBondContact N-O 2.9Å; L193-K234 HydrophobicContact CD1-CG 3.67Å; L193-K234 HydrophobicContact CD2-CG 4.13Å; L193-K234 HydrophobicContact CG-CG 4.07Å
194S66.4Low73.9Confident73 Ų7339.1 Ų39.151%0.5122%0.222SC..SBendtrans-95.6-17.4-178.965.10000114D192 K232D192-S194 VanDerWaalsContact C-N 3.3Å; D192-S194 WeakPolarHBondContact OD1-CB 3.49Å; D192-S194 PolarHBondContact OD1-N 3.05Å; D192-S194 PolarHBondContact OD1-OG 2.82Å; S194-K232 WeakPolarHBondContact OG-CD 3.3Å; S194-K232 WeakPolarHBondContact OG-CG 3.4Å; S194-K232 PolarHBondContact OG-NZ 3.24Å
195D56.2Low74.8Confident59 Ų5938.3 Ų38.332%0.31621%0.214SC..SBendtrans-83.1126.8169.2-112.8-53.4000108.9S197 K200D195-S197 PolarHBondContact O-N 3.2Å; D195-K200 VanDerWaalsContact CG-NZ 3.27Å; D195-K200 IonicContact OD1-NZ 3.67Å; D195-K200 PolarHBondContact OD1-NZ 2.85Å; D195-K200 WeakPolarHBondContact OD2-CD 3.35Å; D195-K200 IonicContact OD2-NZ 2.84Å; D195-K200 PolarHBondContact OD2-NZ 2.88Å
196T46.4Very low75.4Confident135 Ų13538 Ų3883%0.82821%0.212SC*.SBendtrans-72.1-10.1179.349.90000113.3R250T196-R250 PolarHBondContact O-NH2 3.31Å
197S42.2Very low75.7Confident36 Ų3638.8 Ų38.825%0.25221%0.214SC..  trans-97.7118.3167.8-178.30000111.3D195 E199D195-S197 PolarHBondContact O-N 3.2Å; S197-E199 PolarHBondContact O-N 3Å; S197-E199 VanDerWaalsContact O-N 3.08Å; S197-E199 WeakPolarHBondContact OG-CB 3.37Å; S197-E199 WeakPolarHBondContact OG-CG 3.42Å; S197-E199 PolarHBondContact OG-N 2.85Å; S197-E199 PolarHBondContact OG-OE2 2.9Å
198P44Very low75.5Confident52 Ų5239.2 Ų39.234%0.33822%0.217SC..THydrogen-bonded Turntrans-70.43.3173.331.4-35.8000113.6K200P198-K200 VanDerWaalsContact C-N 3.34Å
199E48Very low75.2Confident139 Ų13942.1 Ų42.165%0.6523%0.228SC*.THydrogen-bonded Turntrans-83.6-5.5-176.6-59.1171.6158.400113.5S197 N366S197-E199 PolarHBondContact O-N 3Å; S197-E199 VanDerWaalsContact O-N 3.08Å; S197-E199 WeakPolarHBondContact OG-CB 3.37Å; S197-E199 WeakPolarHBondContact OG-CG 3.42Å; S197-E199 PolarHBondContact OG-N 2.85Å; S197-E199 PolarHBondContact OG-OE2 2.9Å; E199-N366 PolarHBondContact O-OD1 2.9Å
200K63Low74.7Confident129 Ų12946.9 Ų46.956%0.56126%0.26SS*.  trans-10341.8175.2-64.1176.3-172.31630112.8D195 P198D195-K200 VanDerWaalsContact CG-NZ 3.27Å; D195-K200 IonicContact OD1-NZ 3.67Å; D195-K200 PolarHBondContact OD1-NZ 2.85Å; D195-K200 WeakPolarHBondContact OD2-CD 3.35Å; D195-K200 IonicContact OD2-NZ 2.84Å; D195-K200 PolarHBondContact OD2-NZ 2.88Å; P198-K200 VanDerWaalsContact C-N 3.34Å
201G78Confident74.2Confident7 Ų757.3 Ų57.37%0.07231%0.305CS..  trans-71.8165.316700000111.6I190 N366I190-G201 CarbonylContact O-C 3.55Å; I190-G201 VanDerWaalsContact O-CA 3.3Å; I190-G201 WeakPolarHBondContact O-CA 3.46Å; G201-N366 VanDerWaalsContact CA-ND2 3.3Å; G201-N366 WeakPolarHBondContact CA-ND2 3.38Å; G201-N366 PolarHBondContact N-ND2 3.3Å; G201-N366 VanDerWaalsContact N-ND2 3.18Å; G201-N366 VanDerWaalsContact O-CB 3.28Å; G201-N366 WeakPolarHBondContact O-CB 3.25Å
202C90.2Very high74.1Confident14 Ų1461.1 Ų61.110%0.09532%0.321CS..EExtended strand (participates in β ladder)trans-119.5162.7165.2-89.30000110.9Q189 I190 C224 N366 T368Q189-C202 CarbonylContact C-O 3.54Å; Q189-C202 WeakPolarHBondContact CA-O 3.42Å; I190-C202 HydrophobicContact CB-CB 4.37Å; I190-C202 PolarHBondContact N-O 2.81Å; I190-C202 PolarHBondContact O-N 2.89Å; C202-C224 HydrophobicContact CB-CB 3.44Å; C202-C224 VanDerWaalsContact CB-CB 3.44Å; C202-C224 WeakPolarHBondContact CB-SG 3.13Å; C202-C224 VanDerWaalsContact SG-CA 3.5Å; C202-C224 WeakPolarHBondContact SG-CB 3.28Å; C202-C224 CovalentContact SG-SG 2.03Å; C202-C224 PolarHBondContact SG-SG 2.64Å; C202-N366 CarbonylContact C-O 3.59Å; C202-T368 WeakPolarHBondContact CB-O 3.23Å
203T91.8Very high73.9Confident0 Ų063 Ų630%034%0.337CS..EExtended strand (participates in β ladder)trans-94.6149.5168.6-58.90000109.8I187 T220 N366 T368 G369 A370I187-T203 HydrophobicContact CG2-CG2 3.59Å; T203-T220 PolarHBondContact O-OG1 3.35Å; T203-N366 PolarHBondContact N-O 3.23Å; T203-N366 PolarHBondContact OG1-O 2.87Å; T203-T368 PolarHBondContact N-O 3.19Å; T203-G369 CarbonylContact O-C 3.53Å; T203-G369 VanDerWaalsContact O-CA 3.3Å; T203-G369 WeakPolarHBondContact O-CA 3.33Å; T203-A370 HydrophobicContact CG2-CB 3.77Å
204G92.7Very high74.2Confident0 Ų065.6 Ų65.60%034%0.342CS..EExtended strand (participates in β ladder)trans-143.1178.5166.500000111.1I187 V188 L219I187-G204 WeakPolarHBondContact CA-O 3.41Å; V188-G204 PolarHBondContact N-O 3.17Å; V188-G204 PolarHBondContact O-N 3.22Å; G204-L219 VanDerWaalsContact CA-O 3.28Å; G204-L219 WeakPolarHBondContact CA-O 3.47Å
205I92.2Very high75.2Confident3 Ų362.3 Ų62.32%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-130.6139.4174.1-175.8170.1000109.8A185 P186 I187 Y207 V218 L219 Y302 P371A185-I205 HydrophobicContact CB-CD1 4.31Å; P186-I205 HydrophobicContact CG-CG1 4.33Å; I187-I205 HydrophobicContact CD1-CB 4.29Å; I187-I205 HydrophobicContact CD1-CD1 4.49Å; I187-I205 HydrophobicContact CD1-CG1 4.39Å; I205-Y207 PolarHBondContact O-N 3.11Å; I205-V218 WeakPolarHBondContact O-CA 3.43Å; I205-L219 HydrophobicContact CG2-CB 4.18Å; I205-L219 PolarHBondContact N-O 2.77Å; I205-L219 PolarHBondContact O-N 3.39Å; I205-Y302 HydrophobicContact CD1-CD2 3.89Å; I205-Y302 HydrophobicContact CD1-CE2 4.38Å; I205-P371 HydrophobicContact CB-CG 4.14Å; I205-P371 HydrophobicContact CD1-CB 4.45Å; I205-P371 HydrophobicContact CD1-CG 4.11Å; I205-P371 HydrophobicContact CG2-CB 4.27Å; I205-P371 HydrophobicContact CG2-CG 4.33Å
206L90.8Very high76.8Confident2 Ų261.3 Ų61.31%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-71.9120.8170.2-72157.7000110P186 V188 T217 V218 V237 L289 I293P186-L206 HydrophobicContact CB-CB 4Å; P186-L206 HydrophobicContact CB-CD1 4.1Å; P186-L206 HydrophobicContact CG-CB 3.92Å; P186-L206 PolarHBondContact O-N 3.06Å; V188-L206 HydrophobicContact CG1-CD1 3.78Å; V188-L206 HydrophobicContact CG1-CG 3.81Å; L206-T217 CarbonylContact C-O 3.48Å; L206-T217 WeakPolarHBondContact CA-O 3.18Å; L206-V218 HydrophobicContact CD2-CG2 3.52Å; L206-V218 HydrophobicContact CG-CG2 4.17Å; L206-V237 HydrophobicContact CD1-CG1 4.04Å; L206-L289 HydrophobicContact CD2-CD1 4.23Å; L206-I293 HydrophobicContact CD1-CB 4.36Å; L206-I293 HydrophobicContact CD1-CD1 3.82Å; L206-I293 HydrophobicContact CD1-CG2 4.02Å; L206-I293 HydrophobicContact CD2-CD1 3.62Å; L206-I293 HydrophobicContact CG-CD1 4.36Å
207Y89.9Confident79Confident22 Ų2255.1 Ų55.19%0.08628%0.276CS..EExtended strand (participates in β ladder)trans-88.6131.7171.5172.7-98.1000109.7I205 R209 S215 T217 L219 L304 I417I205-Y207 PolarHBondContact O-N 3.11Å; Y207-R209 HydrophobicContact CE1-CG 4.11Å; Y207-S215 VanDerWaalsContact O-CB 3.26Å; Y207-S215 WeakPolarHBondContact O-CB 3.45Å; Y207-S215 PolarHBondContact O-OG 3.12Å; Y207-T217 HydrophobicContact CD1-CG2 4.22Å; Y207-T217 PolarHBondContact N-O 2.73Å; Y207-L219 HydrophobicContact CD2-CD1 3.99Å; Y207-L219 HydrophobicContact CG-CD1 4.04Å; Y207-L219 HydrophobicContact CG-CG 4.45Å; Y207-L304 HydrophobicContact CD2-CD1 4.19Å; Y207-L304 HydrophobicContact CD2-CD2 4.32Å; Y207-L304 HydrophobicContact CD2-CG 4.24Å; Y207-L304 HydrophobicContact CE2-CD1 3.92Å; Y207-L304 HydrophobicContact CE2-CG 4Å; Y207-I417 HydrophobicContact CD1-CD1 3.87Å; Y207-I417 HydrophobicContact CD1-CG2 4.13Å; Y207-I417 HydrophobicContact CD2-CD1 4.19Å; Y207-I417 HydrophobicContact CE1-CD1 3.84Å; Y207-I417 HydrophobicContact CE1-CG2 3.88Å; Y207-I417 HydrophobicContact CE2-CD1 4.17Å; Y207-I417 HydrophobicContact CG-CD1 4.03Å
208V84.4Confident81.5Confident16 Ų1653.4 Ų53.410%0.09726%0.264CS..  trans-132.8128.9-172.5-161.10000106.7E212 L295 P301V208-E212 HydrophobicContact CG1-CB 4.11Å; V208-E212 WeakPolarHBondContact CG1-O 3.35Å; V208-L295 HydrophobicContact CB-CD1 4.02Å; V208-L295 HydrophobicContact CG1-CD1 3.51Å; V208-L295 HydrophobicContact CG2-CD1 3.3Å; V208-L295 HydrophobicContact CG2-CD2 4.21Å; V208-L295 HydrophobicContact CG2-CG 4.38Å; V208-P301 HydrophobicContact CB-CG 3.78Å; V208-P301 HydrophobicContact CG2-CB 4.17Å; V208-P301 HydrophobicContact CG2-CG 3.6Å
209R81.7Confident83.9Confident62 Ų6250.9 Ų50.923%0.23425%0.248CC..  trans-68.3154.2-179.1-72.1177.5158.4146.3-2.4111Y207 K211 E212 D418 E421Y207-R209 HydrophobicContact CE1-CG 4.11Å; R209-K211 PolarHBondContact O-N 2.87Å; R209-E212 HydrophobicContact CB-CB 4.42Å; R209-E212 HydrophobicContact CB-CG 4.11Å; R209-E212 VanDerWaalsContact CD-OE1 3.31Å; R209-E212 WeakPolarHBondContact CD-OE1 3.44Å; R209-E212 PolarHBondContact O-N 2.82Å; R209-D418 IonicContact CZ-OD1 2.94Å; R209-D418 IonicContact NE-OD1 2.6Å; R209-D418 IonicContact NH2-OD1 2.9Å; R209-D418 PolarHBondContact NH2-OD1 3.09Å; R209-E421 IonicContact CZ-OE1 3.15Å; R209-E421 IonicContact CZ-OE2 2.98Å; R209-E421 VanDerWaalsContact NH1-CD 3.3Å; R209-E421 IonicContact NH1-OE1 2.7Å; R209-E421 PolarHBondContact NH1-OE1 3.36Å; R209-E421 IonicContact NH1-OE2 3.72Å; R209-E421 PolarHBondContact NH1-OE2 3.23Å; R209-E421 IonicContact NH2-OE1 2.64Å; R209-E421 IonicContact NH2-OE2 2.76Å; R209-E421 PolarHBondContact NH2-OE2 2.98Å
210P79.2Confident86.1Confident110 Ų11044.3 Ų44.371%0.71422%0.217SC*.THydrogen-bonded Turntrans-52.3127172.3-25.434.6000111.3E212P210-E212 VanDerWaalsContact C-N 3.33Å
211K78.4Confident87.5Confident223 Ų22338.1 Ų38.197%0.9719%0.19SC*.THydrogen-bonded Turntrans75.71.2-179.2-45.1170.8-175.7175.50116.4R209R209-K211 PolarHBondContact O-N 2.87Å
212E82.6Confident88Confident101 Ų10137.8 Ų37.847%0.47219%0.187SC..  trans-88.4145.7170.6-70.7176.4-165.900111.3V208 R209 P210V208-E212 HydrophobicContact CG1-CB 4.11Å; V208-E212 WeakPolarHBondContact CG1-O 3.35Å; R209-E212 HydrophobicContact CB-CB 4.42Å; R209-E212 HydrophobicContact CB-CG 4.11Å; R209-E212 VanDerWaalsContact CD-OE1 3.31Å; R209-E212 WeakPolarHBondContact CD-OE1 3.44Å; R209-E212 PolarHBondContact O-N 2.82Å; P210-E212 VanDerWaalsContact C-N 3.33Å
213S77.3Confident87.8Confident65 Ų6541.2 Ų41.246%0.45520%0.197SC..SBendtrans-107.73.4175.260.80000113.3L295S213-L295 PolarHBondContact O-N 3.23Å
214Y83Confident87.7Confident129 Ų12941.9 Ų41.951%0.50620%0.202SC..EExtended strand (participates in β ladder)trans-131.7151.7-178.8-63.6-93.6000109.8I293 S294Y214-I293 CarbonylContact C-O 3.55Å; Y214-I293 WeakPolarHBondContact CA-O 3.46Å; Y214-S294 VanDerWaalsContact CE1-CB 3.48Å
215S87.9Confident87.5Confident5 Ų541.9 Ų41.94%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-148136.5171.9172.70000112.8Y207 T217 S292 I293Y207-S215 VanDerWaalsContact O-CB 3.26Å; Y207-S215 WeakPolarHBondContact O-CB 3.45Å; Y207-S215 PolarHBondContact O-OG 3.12Å; S215-T217 PolarHBondContact OG-N 3.19Å; S215-T217 PolarHBondContact OG-O 3.05Å; S215-S292 WeakPolarHBondContact O-CA 3.26Å; S215-I293 PolarHBondContact N-O 3.02Å; S215-I293 PolarHBondContact O-N 2.86Å
216D90Very high86.9Confident37 Ų3745.9 Ų45.920%0.19822%0.217CC..EExtended strand (participates in β ladder)trans-99.74.616768.8-14.9000112.3K288 L289D216-K288 VanDerWaalsContact CG-NZ 3.26Å; D216-K288 CarbonylContact O-C 3.59Å; D216-K288 WeakPolarHBondContact O-CA 3.39Å; D216-K288 IonicContact OD1-NZ 2.71Å; D216-K288 PolarHBondContact OD1-NZ 3.02Å; D216-K288 VanDerWaalsContact OD2-CD 3.29Å; D216-K288 WeakPolarHBondContact OD2-CD 3.42Å; D216-K288 IonicContact OD2-NZ 2.76Å; D216-K288 PolarHBondContact OD2-NZ 2.93Å; D216-L289 HydrophobicContact CB-CB 4.48Å; D216-L289 WeakPolarHBondContact O-CB 3.36Å; D216-L289 WeakPolarHBondContact O-CG 3.28Å; D216-L289 PolarHBondContact O-N 3.16Å
217T92.5Very high86.3Confident5 Ų548.6 Ų48.63%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-116.5114-162-600000111L206 Y207 S215 L219 I286 K288 I417L206-T217 CarbonylContact C-O 3.48Å; L206-T217 WeakPolarHBondContact CA-O 3.18Å; Y207-T217 HydrophobicContact CD1-CG2 4.22Å; Y207-T217 PolarHBondContact N-O 2.73Å; S215-T217 PolarHBondContact OG-N 3.19Å; S215-T217 PolarHBondContact OG-O 3.05Å; T217-L219 HydrophobicContact CG2-CD2 4.4Å; T217-I286 HydrophobicContact CG2-CG2 3.93Å; T217-K288 WeakPolarHBondContact OG1-CD 3.49Å; T217-K288 WeakPolarHBondContact OG1-CE 3.4Å; T217-K288 PolarHBondContact OG1-NZ 3.18Å; T217-I417 HydrophobicContact CG2-CG2 4.49Å
218V93.6Very high86Confident0 Ų053.1 Ų53.10%025%0.253CS..EExtended strand (participates in β ladder)trans-105.2132.5174.3172.40000110.1V188 I190 I205 L206 V235 V287 L289V188-V218 HydrophobicContact CG2-CB 4.4Å; V188-V218 HydrophobicContact CG2-CG1 3.55Å; V188-V218 HydrophobicContact CG2-CG2 3.89Å; I190-V218 HydrophobicContact CD1-CG1 4.09Å; I205-V218 WeakPolarHBondContact O-CA 3.43Å; L206-V218 HydrophobicContact CD2-CG2 3.52Å; L206-V218 HydrophobicContact CG-CG2 4.17Å; V218-V235 HydrophobicContact CG2-CG1 4.14Å; V218-V287 HydrophobicContact CB-CB 4.17Å; V218-V287 PolarHBondContact N-O 3.01Å; V218-V287 PolarHBondContact O-N 3.18Å; V218-L289 HydrophobicContact CG2-CD1 4.06Å; V218-L289 HydrophobicContact CG2-CD2 4.48Å; V218-L289 HydrophobicContact CG2-CG 4.36Å
219L94.6Very high86.1Confident0 Ų058.8 Ų58.80%027%0.274CS..EExtended strand (participates in β ladder)trans-101.5135.7171-56.8-176.9000110G204 I205 Y207 T217 I286 L304 F385 L413 I417G204-L219 VanDerWaalsContact CA-O 3.28Å; G204-L219 WeakPolarHBondContact CA-O 3.47Å; I205-L219 HydrophobicContact CG2-CB 4.18Å; I205-L219 PolarHBondContact N-O 2.77Å; I205-L219 PolarHBondContact O-N 3.39Å; Y207-L219 HydrophobicContact CD2-CD1 3.99Å; Y207-L219 HydrophobicContact CG-CD1 4.04Å; Y207-L219 HydrophobicContact CG-CG 4.45Å; T217-L219 HydrophobicContact CG2-CD2 4.4Å; L219-I286 HydrophobicContact CD2-CG1 3.84Å; L219-L304 HydrophobicContact CD1-CD1 4.17Å; L219-L304 HydrophobicContact CD1-CD2 3.88Å; L219-F385 HydrophobicContact CB-CE1 3.9Å; L219-F385 HydrophobicContact CB-CZ 3.93Å; L219-L413 HydrophobicContact CD1-CD2 4.25Å; L219-L413 HydrophobicContact CD2-CD2 4.29Å; L219-I417 HydrophobicContact CD1-CD1 4.12Å; L219-I417 HydrophobicContact CD2-CD1 3.9Å; L219-I417 HydrophobicContact CD2-CG1 4.22Å
220T94.3Very high86.4Confident0 Ų057.8 Ų57.80%027%0.274CS..EExtended strand (participates in β ladder)trans-155.1-177.9178.7-168.80000110.8I190 T203 C224 V225 A285 V287I190-T220 HydrophobicContact CD1-CG2 3.52Å; T203-T220 PolarHBondContact O-OG1 3.35Å; T220-C224 HydrophobicContact CG2-CB 4.28Å; T220-V225 HydrophobicContact CG2-CG2 4.24Å; T220-A285 HydrophobicContact CG2-CB 3.87Å; T220-A285 PolarHBondContact N-O 3.15Å; T220-A285 VanDerWaalsContact N-O 3.08Å; T220-A285 PolarHBondContact O-N 2.58Å; T220-V287 HydrophobicContact CG2-CG2 4.22Å
221F92.4Very high86.7Confident0 Ų062 Ų620%028%0.276CS..EExtended strand (participates in β ladder)trans-83.3141.3175.5-174.3-113.7000111.6R223 C224 A282 G283 T368 F385 D387 M408F221-R223 VanDerWaalsContact C-N 3.28Å; F221-R223 HydrophobicContact CD1-CB 3.66Å; F221-R223 HydrophobicContact CE1-CB 3.62Å; F221-R223 PolarHBondContact O-N 2.91Å; F221-R223 VanDerWaalsContact O-N 3.15Å; F221-C224 VanDerWaalsContact O-CB 3.26Å; F221-C224 WeakPolarHBondContact O-CB 3.03Å; F221-C224 PolarHBondContact O-N 3.28Å; F221-A282 HydrophobicContact CE2-CB 4.06Å; F221-A282 HydrophobicContact CZ-CB 3.74Å; F221-G283 WeakPolarHBondContact CD2-O 2.98Å; F221-G283 WeakPolarHBondContact CE2-O 3.45Å; F221-T368 HydrophobicContact CD1-CG2 3.95Å; F221-F385 HydrophobicContact CB-CB 4.13Å; F221-F385 HydrophobicContact CD2-CB 4.31Å; F221-D387 HydrophobicContact CE1-CB 4.32Å; F221-D387 WeakPolarHBondContact CE1-OD1 3.3Å; F221-D387 HydrophobicContact CE2-CB 4.01Å; F221-D387 HydrophobicContact CZ-CB 3.83Å; F221-D387 VanDerWaalsContact CZ-OD1 3.3Å; F221-D387 WeakPolarHBondContact CZ-OD1 3.35Å; F221-M408 HydrophobicContact CD2-CB 3.88Å; F221-M408 HydrophobicContact CD2-CG 4.22Å; F221-M408 HydrophobicContact CE2-CB 3.51Å; F221-M408 HydrophobicContact CE2-CG 3.86Å
222A88.5Confident87Confident0 Ų053.6 Ų53.60%024%0.239CC..G310 helixtrans-55.4-39.1-170.100000114.2C224 V225 W226 G283A222-C224 PolarHBondContact O-N 3.08Å; A222-V225 PolarHBondContact O-N 3.25Å; A222-W226 HydrophobicContact CB-CE3 4.04Å; A222-W226 HydrophobicContact CB-CZ3 3.98Å; A222-W226 WeakPolarHBondContact O-CA 3.14Å; A222-W226 PolarHBondContact O-N 3.25Å; A222-G283 PolarHBondContact N-O 2.88Å
223R85.5Confident87.2Confident86 Ų8649.2 Ų49.233%0.32522%0.219SC..G310 helixtrans-58.5-28.4179.9-175.3170.458.8-162.1-10.6113.5F221 V225 D387F221-R223 VanDerWaalsContact C-N 3.28Å; F221-R223 HydrophobicContact CD1-CB 3.66Å; F221-R223 HydrophobicContact CE1-CB 3.62Å; F221-R223 PolarHBondContact O-N 2.91Å; F221-R223 VanDerWaalsContact O-N 3.15Å; R223-V225 VanDerWaalsContact C-N 3.29Å; R223-V225 PolarHBondContact O-N 2.7Å; R223-D387 IonicContact CZ-OD1 2.78Å; R223-D387 IonicContact NH1-OD1 3.21Å; R223-D387 PolarHBondContact NH2-O 2.81Å; R223-D387 IonicContact NH2-OD1 3.4Å; R223-D387 PolarHBondContact NH2-OD1 3.13Å
224C89.3Confident87.6Confident14 Ų1449.1 Ų49.110%0.09521%0.21CC..G310 helixtrans-65.8-29.6-178.2-65.10000114C202 T220 F221 A222 Y233C202-C224 HydrophobicContact CB-CB 3.44Å; C202-C224 VanDerWaalsContact CB-CB 3.44Å; C202-C224 WeakPolarHBondContact CB-SG 3.13Å; C202-C224 VanDerWaalsContact SG-CA 3.5Å; C202-C224 WeakPolarHBondContact SG-CB 3.28Å; C202-C224 CovalentContact SG-SG 2.03Å; C202-C224 PolarHBondContact SG-SG 2.64Å; T220-C224 HydrophobicContact CG2-CB 4.28Å; F221-C224 VanDerWaalsContact O-CB 3.26Å; F221-C224 WeakPolarHBondContact O-CB 3.03Å; F221-C224 PolarHBondContact O-N 3.28Å; A222-C224 PolarHBondContact O-N 3.08Å; C224-Y233 WeakPolarHBondContact O-CE1 3.22Å
225V88.4Confident87.9Confident0 Ų043 Ų430%019%0.186CC..G310 helixtrans-132.728.4-174.4-67.90000111.6I190 T220 A222 R223 S227 R228 Y233 I265 T267 A285 V287I190-V225 HydrophobicContact CD1-CG1 4.49Å; I190-V225 HydrophobicContact CG2-CG1 3.8Å; T220-V225 HydrophobicContact CG2-CG2 4.24Å; A222-V225 PolarHBondContact O-N 3.25Å; R223-V225 VanDerWaalsContact C-N 3.29Å; R223-V225 PolarHBondContact O-N 2.7Å; V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 2.9Å; V225-S227 VanDerWaalsContact O-N 3.14Å; V225-R228 PolarHBondContact O-N 3.05Å; V225-Y233 HydrophobicContact CB-CE2 4.38Å; V225-Y233 HydrophobicContact CG1-CD1 4.21Å; V225-Y233 HydrophobicContact CG1-CD2 4.5Å; V225-Y233 HydrophobicContact CG1-CE1 4.25Å; V225-Y233 HydrophobicContact CG1-CG 4.33Å; V225-I265 HydrophobicContact CB-CD1 4.19Å; V225-I265 HydrophobicContact CB-CG2 3.85Å; V225-I265 HydrophobicContact CG2-CG2 3.61Å; V225-T267 HydrophobicContact CG2-CG2 4.08Å; V225-A285 HydrophobicContact CG2-CB 3.44Å; V225-A285 VanDerWaalsContact CG2-CB 3.44Å; V225-V287 HydrophobicContact CB-CG2 4.36Å; V225-V287 HydrophobicContact CG1-CG2 3.91Å; V225-V287 HydrophobicContact CG2-CG2 3.9Å
226W81.4Confident87.7Confident86 Ų8644.2 Ų44.233%0.32619%0.19SC..THydrogen-bonded Turntrans-56.3-35.5-167.6-170.8-97.6000114.3A222 R228 P269 Y271 A281A222-W226 HydrophobicContact CB-CE3 4.04Å; A222-W226 HydrophobicContact CB-CZ3 3.98Å; A222-W226 WeakPolarHBondContact O-CA 3.14Å; A222-W226 PolarHBondContact O-N 3.25Å; W226-R228 PolarHBondContact O-N 2.86Å; W226-P269 HydrophobicContact CH2-CB 3.32Å; W226-P269 HydrophobicContact CH2-CG 4.46Å; W226-P269 HydrophobicContact CZ2-CB 4.34Å; W226-P269 HydrophobicContact CZ3-CB 3.64Å; W226-Y271 AromaticContact CH2-CE1 3.73Å; W226-Y271 HydrophobicContact CH2-CE1 3.73Å; W226-Y271 AromaticContact CH2-CZ 3.92Å; W226-Y271 AromaticContact CZ2-CE1 3.65Å; W226-Y271 HydrophobicContact CZ2-CE1 3.65Å; W226-Y271 AromaticContact CZ2-CZ 3.81Å; W226-Y271 WeakPolarHBondContact CZ2-OH 3.1Å; W226-A281 HydrophobicContact CD2-CB 4.23Å; W226-A281 HydrophobicContact CE3-CB 4.03Å; W226-A281 HydrophobicContact CH2-CB 3.39Å; W226-A281 HydrophobicContact CZ2-CB 3.66Å; W226-A281 HydrophobicContact CZ3-CB 3.62Å
227S77.9Confident86.9Confident59 Ų5943.8 Ų43.841%0.41319%0.189SC..THydrogen-bonded Turntrans-68.7-14.4-179.672.90000113.9V225 Y229 Y233V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 2.9Å; V225-S227 VanDerWaalsContact O-N 3.14Å; S227-Y229 PolarHBondContact O-N 3.17Å; S227-Y229 PolarHBondContact OG-N 3.24Å; S227-Y233 WeakPolarHBondContact OG-CE2 3.3Å; S227-Y233 PolarHBondContact OG-OH 3.38Å; S227-Y233 VanDerWaalsContact OG-OH 3.11Å
228R83.3Confident85.5Confident118 Ų11845.4 Ų45.445%0.44521%0.207SC..  trans54.42-173-55179.6178.9172-2.4115.6V225 W226 T230 I265 T267V225-R228 PolarHBondContact O-N 3.05Å; W226-R228 PolarHBondContact O-N 2.86Å; R228-T230 PolarHBondContact O-N 3.49Å; R228-I265 HydrophobicContact CB-CB 4.26Å; R228-I265 HydrophobicContact CB-CG2 4.29Å; R228-I265 HydrophobicContact CG-CG2 4.11Å; R228-T267 HydrophobicContact CG-CG2 4.28Å; R228-T267 VanDerWaalsContact CZ-OG1 3.32Å; R228-T267 PolarHBondContact NE-OG1 2.99Å; R228-T267 PolarHBondContact NH2-O 3.5Å; R228-T267 PolarHBondContact NH2-OG1 2.03Å
229Y85.5Confident83.4Confident135 Ų13550 Ų5053%0.52924%0.235SC..  trans-77.195-176.2-179.6-138.5000110.1S227 R231 K232 Y233S227-Y229 PolarHBondContact O-N 3.17Å; S227-Y229 PolarHBondContact OG-N 3.24Å; Y229-R231 VanDerWaalsContact C-N 3.27Å; Y229-R231 HydrophobicContact CE1-CB 4.27Å; Y229-R231 HydrophobicContact CE2-CB 3.98Å; Y229-R231 HydrophobicContact CE2-CG 4.27Å; Y229-R231 PolarHBondContact O-N 3.48Å; Y229-R231 VanDerWaalsContact O-N 3.12Å; Y229-K232 HydrophobicContact CD1-CB 3.73Å; Y229-K232 HydrophobicContact CE1-CB 4.43Å; Y229-K232 HydrophobicContact CG-CB 4.36Å; Y229-K232 WeakPolarHBondContact O-CB 2.92Å; Y229-K232 PolarHBondContact O-N 3.06Å; Y229-Y233 WeakPolarHBondContact O-CD2 3.4Å
230T88.2Confident81.2Confident41 Ų4151.1 Ų51.125%0.25224%0.244SC..G310 helixtrans-52.9-39.9-168.860.10000114.3R228 K232 Y233 V262 I265R228-T230 PolarHBondContact O-N 3.49Å; T230-K232 PolarHBondContact O-N 3.31Å; T230-Y233 PolarHBondContact O-N 3.41Å; T230-V262 WeakPolarHBondContact CB-O 3.36Å; T230-V262 HydrophobicContact CG2-CG1 4.03Å; T230-I265 HydrophobicContact CG2-CD1 4.35Å; T230-I265 HydrophobicContact CG2-CG1 4.34Å
231R85.6Confident78.7Confident198 Ų19852.8 Ų52.875%0.74725%0.252SS*.G310 helixtrans-63.9-19.5178.8-63.9-176.4176.7-172.9-0.8114.4Y229 Y233Y229-R231 VanDerWaalsContact C-N 3.27Å; Y229-R231 HydrophobicContact CE1-CB 4.27Å; Y229-R231 HydrophobicContact CE2-CB 3.98Å; Y229-R231 HydrophobicContact CE2-CG 4.27Å; Y229-R231 PolarHBondContact O-N 3.48Å; Y229-R231 VanDerWaalsContact O-N 3.12Å; R231-Y233 VanDerWaalsContact C-N 3.28Å
232K84.1Confident76.2Confident46 Ų4655.3 Ų55.320%0.227%0.268CS..G310 helixtrans-76.4-13.1175178.8171.8144.189.40112.4D192 L193 S194 Y229 T230D192-K232 CarbonylContact C-O 3.48Å; D192-K232 VanDerWaalsContact CG-NZ 3.27Å; D192-K232 WeakPolarHBondContact OD1-CG 3.38Å; D192-K232 IonicContact OD1-NZ 2.71Å; D192-K232 PolarHBondContact OD1-NZ 2.98Å; D192-K232 VanDerWaalsContact OD1-NZ 3.15Å; D192-K232 WeakPolarHBondContact OD2-CE 3.37Å; D192-K232 IonicContact OD2-NZ 3.57Å; D192-K232 PolarHBondContact OD2-NZ 2.89Å; L193-K232 PolarHBondContact N-O 2.9Å; S194-K232 WeakPolarHBondContact OG-CD 3.3Å; S194-K232 WeakPolarHBondContact OG-CG 3.4Å; S194-K232 PolarHBondContact OG-NZ 3.24Å; Y229-K232 HydrophobicContact CD1-CB 3.73Å; Y229-K232 HydrophobicContact CE1-CB 4.43Å; Y229-K232 HydrophobicContact CG-CB 4.36Å; Y229-K232 WeakPolarHBondContact O-CB 2.92Å; Y229-K232 PolarHBondContact O-N 3.06Å; T230-K232 PolarHBondContact O-N 3.31Å
233Y87.4Confident73.9Confident9 Ų960.5 Ų60.54%0.03530%0.3CS..EExtended strand (participates in β ladder)trans-122.4145.5-172.2-59.4-74.5000113.3I190 V191 D192 C224 V225 S227 Y229 T230 R231 I265I190-Y233 HydrophobicContact CG2-CD1 4.25Å; V191-Y233 WeakPolarHBondContact O-CA 3.36Å; D192-Y233 HydrophobicContact CB-CD1 4.34Å; D192-Y233 HydrophobicContact CB-CE1 4.07Å; C224-Y233 WeakPolarHBondContact O-CE1 3.22Å; V225-Y233 HydrophobicContact CB-CE2 4.38Å; V225-Y233 HydrophobicContact CG1-CD1 4.21Å; V225-Y233 HydrophobicContact CG1-CD2 4.5Å; V225-Y233 HydrophobicContact CG1-CE1 4.25Å; V225-Y233 HydrophobicContact CG1-CG 4.33Å; S227-Y233 WeakPolarHBondContact OG-CE2 3.3Å; S227-Y233 PolarHBondContact OG-OH 3.38Å; S227-Y233 VanDerWaalsContact OG-OH 3.11Å; Y229-Y233 WeakPolarHBondContact O-CD2 3.4Å; T230-Y233 PolarHBondContact O-N 3.41Å; R231-Y233 VanDerWaalsContact C-N 3.28Å; Y233-I265 HydrophobicContact CD2-CD1 3.51Å; Y233-I265 HydrophobicContact CE2-CD1 3.93Å; Y233-I265 HydrophobicContact CG-CD1 4.41Å
234K86.7Confident71.9Confident64 Ų6463.7 Ų63.728%0.27832%0.318SS..EExtended strand (participates in β ladder)trans-129.9147.2164.9-65.7-67.3-177.6178.30109.5V191 L193 Y236V191-K234 PolarHBondContact N-O 3.17Å; V191-K234 PolarHBondContact O-N 3.44Å; V191-K234 VanDerWaalsContact O-N 3.07Å; L193-K234 HydrophobicContact CD1-CG 3.67Å; L193-K234 HydrophobicContact CD2-CG 4.13Å; L193-K234 HydrophobicContact CG-CG 4.07Å; K234-Y236 HydrophobicContact CB-CE2 3.91Å
235V88.7Confident69.8Low0 Ų067.9 Ų67.90%034%0.336CS..EExtended strand (participates in β ladder)trans-111.6127.2176178.90000109.3V188 Q189 I190 V218 V237 A259 V260 V262 V287 L289V188-V235 HydrophobicContact CB-CG1 3.72Å; V188-V235 HydrophobicContact CG1-CG1 4.13Å; V188-V235 HydrophobicContact CG2-CG1 3.86Å; Q189-V235 CarbonylContact O-C 3.44Å; Q189-V235 WeakPolarHBondContact O-CA 3.21Å; I190-V235 HydrophobicContact CG1-CG2 4.23Å; V218-V235 HydrophobicContact CG2-CG1 4.14Å; V235-V237 HydrophobicContact CG1-CG2 4.39Å; V235-A259 CarbonylContact O-C 3.59Å; V235-V260 PolarHBondContact N-O 2.04Å; V235-V260 PolarHBondContact O-N 2.91Å; V235-V262 HydrophobicContact CG2-CG2 4Å; V235-V287 HydrophobicContact CG2-CG1 4.24Å; V235-L289 HydrophobicContact CB-CD2 3.72Å; V235-L289 HydrophobicContact CG1-CD2 4.23Å; V235-L289 HydrophobicContact CG2-CD2 3.6Å
236Y82.8Confident67.6Low30 Ų3069.3 Ų69.312%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-107.1134.8178.1-67.4-97.4000110.1V188 Q189 V191 K234 M241 I249 A259V188-Y236 CarbonylContact C-O 3.54Å; V188-Y236 VanDerWaalsContact CA-O 3.28Å; V188-Y236 WeakPolarHBondContact CA-O 3.48Å; V188-Y236 VanDerWaalsContact CB-O 3.3Å; V188-Y236 WeakPolarHBondContact CB-O 3.41Å; Q189-Y236 PolarHBondContact N-O 2.85Å; Q189-Y236 PolarHBondContact O-N 2.82Å; V191-Y236 HydrophobicContact CB-CD2 4.37Å; V191-Y236 HydrophobicContact CB-CE2 4.03Å; V191-Y236 HydrophobicContact CG2-CD2 3.77Å; V191-Y236 HydrophobicContact CG2-CE2 3.8Å; K234-Y236 HydrophobicContact CB-CE2 3.91Å; Y236-M241 HydrophobicContact CD1-CE 3.38Å; Y236-M241 HydrophobicContact CD2-CE 3.3Å; Y236-M241 HydrophobicContact CE1-CE 3.63Å; Y236-M241 HydrophobicContact CE2-CE 3.58Å; Y236-M241 HydrophobicContact CG-CE 3.19Å; Y236-I249 HydrophobicContact CE1-CD1 3.89Å; Y236-A259 HydrophobicContact CD1-CB 3.93Å; Y236-A259 HydrophobicContact CE1-CB 3.5Å; Y236-A259 VanDerWaalsContact CE1-CB 3.5Å; Y236-A259 HydrophobicContact CE2-CB 4.49Å
237V74.8Confident65.8Low28 Ų2868.1 Ų68.117%0.1736%0.357CS..EExtended strand (participates in β ladder)trans-125135.4-167-173.10000109.4V188 L206 V235 M258 V260 I293V188-V237 HydrophobicContact CG1-CB 4.38Å; V188-V237 HydrophobicContact CG1-CG1 4.29Å; V188-V237 HydrophobicContact CG1-CG2 4Å; L206-V237 HydrophobicContact CD1-CG1 4.04Å; V235-V237 HydrophobicContact CG1-CG2 4.39Å; V237-M258 PolarHBondContact N-O 2.92Å; V237-V260 HydrophobicContact CG2-CG2 3.97Å; V237-I293 HydrophobicContact CB-CD1 4.39Å; V237-I293 HydrophobicContact CG1-CD1 4.14Å; V237-I293 HydrophobicContact CG1-CG1 4.42Å; V237-I293 HydrophobicContact CG1-CG2 3.83Å; V237-I293 HydrophobicContact CG2-CD1 3.43Å; V237-I293 VanDerWaalsContact CG2-CD1 3.43Å; V237-I293 HydrophobicContact CG2-CG1 4.13Å
238G61.5Low64.1Low40 Ų4071 Ų7141%0.41236%0.362SS..SBendtrans100.6162.8-176.800000112.3
239T51Low62.4Low97 Ų9767.4 Ų67.460%0.59535%0.351SS*.SBendtrans-63.6135.5-173.650.50000112.1V328T239-V328 HydrophobicContact CG2-CG2 4.08Å
240A46.8Very low60.6Low23 Ų2368.7 Ų68.719%0.1936%0.355CS..  trans63.189.6155.100000118.3T242 H326A240-T242 VanDerWaalsContact C-N 3.33Å; A240-T242 PolarHBondContact O-N 3.09Å; A240-H326 WeakPolarHBondContact CA-O 3.4Å; A240-H326 VanDerWaalsContact CB-C 3.44Å; A240-H326 HydrophobicContact CB-CB 3.53Å; A240-H326 WeakPolarHBondContact CB-O 3.5Å; A240-H326 PolarHBondContact N-O 2.87Å
241M42.6Very low58.5Low34 Ų3475.7 Ų75.717%0.16738%0.382CS..  trans-62.196.7149.7-75.6-159.8-172.500108.8V191 Y236 I249 H326V191-M241 HydrophobicContact CG2-CE 4.19Å; Y236-M241 HydrophobicContact CD1-CE 3.38Å; Y236-M241 HydrophobicContact CD2-CE 3.3Å; Y236-M241 HydrophobicContact CE1-CE 3.63Å; Y236-M241 HydrophobicContact CE2-CE 3.58Å; Y236-M241 HydrophobicContact CG-CE 3.19Å; M241-I249 HydrophobicContact CE-CD1 3.7Å; M241-I249 HydrophobicContact CG-CD1 4.27Å; M241-I249 HydrophobicContact SD-CD1 3.67Å; M241-H326 WeakPolarHBondContact O-CB 3.43Å; M241-H326 PolarHBondContact O-CD2 3.05Å; M241-H326 PolarHBondContact O-CE1 2.9Å; M241-H326 VanDerWaalsContact O-CE1 3.25Å; M241-H326 PolarHBondContact O-ND1 2.92Å; M241-H326 PolarHBondContact O-NE2 2.81Å
242T39.6Very low56.3Low54 Ų5469.5 Ų69.533%0.33136%0.364SS..  trans-59.5155.8170.171.60000109.9A240 E244 H245 A246A240-T242 VanDerWaalsContact C-N 3.33Å; A240-T242 PolarHBondContact O-N 3.09Å; T242-E244 PolarHBondContact O-N 2.76Å; T242-H245 CarbonylContact O-C 3.6Å; T242-H245 WeakPolarHBondContact O-CA 3.35Å; T242-H245 WeakPolarHBondContact O-CB 3.44Å; T242-H245 PolarHBondContact O-N 3.02Å; T242-H245 PolarHBondContact OG1-N 3.16Å; T242-H245 PolarHBondContact OG1-ND1 2.93Å; T242-A246 PolarHBondContact O-N 3.05Å
243T41.3Very low54.5Low108 Ų10873 Ų7366%0.66338%0.383SS*.Hα-helixtrans-53.8-36.1175.644.20000112.5A246 A247T243-A246 PolarHBondContact O-N 3.36Å; T243-A247 WeakPolarHBondContact O-CB 3.36Å; T243-A247 PolarHBondContact O-N 3.07Å
244E43.5Very low52.1Low154 Ų15482.5 Ų82.572%0.7243%0.425SS*.Hα-helixtrans-60.1-45.1168.6-95.3-171.2137.300112.9T242 A247 K248T242-E244 PolarHBondContact O-N 2.76Å; E244-A247 PolarHBondContact O-N 2.94Å; E244-K248 WeakPolarHBondContact O-CB 3.45Å; E244-K248 PolarHBondContact O-N 2.91Å
245H44.6Very low49.9Very low101 Ų10183.4 Ų83.447%0.46844%0.439SS..Hα-helixtrans-66.5-37175.6-76.482.4000112.1T242 A247 K248 I249T242-H245 CarbonylContact O-C 3.6Å; T242-H245 WeakPolarHBondContact O-CA 3.35Å; T242-H245 WeakPolarHBondContact O-CB 3.44Å; T242-H245 PolarHBondContact O-N 3.02Å; T242-H245 PolarHBondContact OG1-N 3.16Å; T242-H245 PolarHBondContact OG1-ND1 2.93Å; H245-A247 PolarHBondContact O-N 2.86Å; H245-K248 PolarHBondContact O-N 3.44Å; H245-I249 VanDerWaalsContact O-CB 3.25Å; H245-I249 WeakPolarHBondContact O-CB 3.39Å; H245-I249 WeakPolarHBondContact O-CD1 3.47Å; H245-I249 WeakPolarHBondContact O-CG1 3.44Å; H245-I249 PolarHBondContact O-N 3.08Å
246A42.5Very low47.6Very low31 Ų3188.6 Ų88.626%0.25648%0.476SS..Hα-helixtrans-63.8-40.5173.800000112.1T242 T243T242-A246 PolarHBondContact O-N 3.05Å; T243-A246 PolarHBondContact O-N 3.36Å
247A43.2Very low46Very low61 Ų6192.3 Ų92.350%0.50451%0.506SS..Hα-helixtrans-69.7-35.2173.800000112.7T243 E244 H245 R250T243-A247 WeakPolarHBondContact O-CB 3.36Å; T243-A247 PolarHBondContact O-N 3.07Å; E244-A247 PolarHBondContact O-N 2.94Å; H245-A247 PolarHBondContact O-N 2.86Å; A247-R250 WeakPolarHBondContact O-CB 3.49Å; A247-R250 PolarHBondContact O-N 2.9Å
248K43.1Very low45.4Very low120 Ų12096.6 Ų96.652%0.52253%0.525SS..Hα-helixtrans-75.9-35.6178.3-169.5171.6-178.7179.50112.2E244 H245 R250 K251 D252E244-K248 WeakPolarHBondContact O-CB 3.45Å; E244-K248 PolarHBondContact O-N 2.91Å; H245-K248 PolarHBondContact O-N 3.44Å; K248-R250 PolarHBondContact O-N 2.81Å; K248-K251 CarbonylContact O-C 3.6Å; K248-K251 WeakPolarHBondContact O-CA 3.07Å; K248-K251 PolarHBondContact O-N 2.82Å; K248-D252 WeakPolarHBondContact CE-OD2 3.43Å; K248-D252 HydrophobicContact CG-CB 4.44Å; K248-D252 VanDerWaalsContact CG-OD2 3.27Å; K248-D252 WeakPolarHBondContact CG-OD2 3.46Å; K248-D252 WeakPolarHBondContact O-CB 3.19Å; K248-D252 PolarHBondContact O-N 3.25Å
249I47.9Very low46.1Very low42 Ų4296.2 Ų96.222%0.21552%0.518CS..Hα-helixtrans-57.6-35.2172-76.1162.6000110.7Y236 M241 H245 K251 D252 I253Y236-I249 HydrophobicContact CE1-CD1 3.89Å; M241-I249 HydrophobicContact CE-CD1 3.7Å; M241-I249 HydrophobicContact CG-CD1 4.27Å; M241-I249 HydrophobicContact SD-CD1 3.67Å; H245-I249 VanDerWaalsContact O-CB 3.25Å; H245-I249 WeakPolarHBondContact O-CB 3.39Å; H245-I249 WeakPolarHBondContact O-CD1 3.47Å; H245-I249 WeakPolarHBondContact O-CG1 3.44Å; H245-I249 PolarHBondContact O-N 3.08Å; I249-K251 PolarHBondContact O-N 2.84Å; I249-D252 PolarHBondContact O-N 2.88Å; I249-I253 HydrophobicContact CG2-CG1 4.36Å; I249-I253 WeakPolarHBondContact O-CD1 3.18Å; I249-I253 VanDerWaalsContact O-CG1 3.28Å; I249-I253 WeakPolarHBondContact O-CG1 3.08Å; I249-I253 PolarHBondContact O-N 2.89Å
250R45.8Very low47.7Very low162 Ų16292.5 Ų92.561%0.61150%0.495SS*.Hα-helixtrans-60.5-22.7171.7-79.3179.8164.1144.1-10.3114.3T196 A247 K248T196-R250 PolarHBondContact O-NH2 3.31Å; A247-R250 WeakPolarHBondContact O-CB 3.49Å; A247-R250 PolarHBondContact O-N 2.9Å; K248-R250 PolarHBondContact O-N 2.81Å
251K44.3Very low49.7Very low188 Ų18892.6 Ų92.682%0.81749%0.494SS*.Hα-helixtrans-100.1-36.2173.5-78.1-175.4171.7-179.50113.2K248 I249K248-K251 CarbonylContact O-C 3.6Å; K248-K251 WeakPolarHBondContact O-CA 3.07Å; K248-K251 PolarHBondContact O-N 2.82Å; I249-K251 PolarHBondContact O-N 2.84Å
252D40.9Very low52.1Low68 Ų6891.1 Ų91.136%0.36449%0.487SS..Hα-helixtrans-107.232.9-167.6-70.5-18.4000113.8K248 I249 K254 S255K248-D252 WeakPolarHBondContact CE-OD2 3.43Å; K248-D252 HydrophobicContact CG-CB 4.44Å; K248-D252 VanDerWaalsContact CG-OD2 3.27Å; K248-D252 WeakPolarHBondContact CG-OD2 3.46Å; K248-D252 WeakPolarHBondContact O-CB 3.19Å; K248-D252 PolarHBondContact O-N 3.25Å; I249-D252 PolarHBondContact O-N 2.88Å; D252-K254 PolarHBondContact O-N 3.28Å; D252-S255 PolarHBondContact O-N 3.15Å
253I45.9Very low54.6Low120 Ų12094 Ų9462%0.61550%0.495SS*.THydrogen-bonded Turntrans-57.1-8.9168.1-86150.5000113.2I249I249-I253 HydrophobicContact CG2-CG1 4.36Å; I249-I253 WeakPolarHBondContact O-CD1 3.18Å; I249-I253 VanDerWaalsContact O-CG1 3.28Å; I249-I253 WeakPolarHBondContact O-CG1 3.08Å; I249-I253 PolarHBondContact O-N 2.89Å
254K37.4Very low57Low208 Ų20890.8 Ų90.890%0.90448%0.477SS*.THydrogen-bonded Turntrans-92.9-3.2169.8-71.7-176174.1-179.40115.4D252D252-K254 PolarHBondContact O-N 3.28Å
255S39.3Very low59.2Low83 Ų8384.2 Ų84.258%0.5845%0.447SS*.  trans-10484.8-178.8-170.30000111.5D252 S257D252-S255 PolarHBondContact O-N 3.15Å; S255-S257 PolarHBondContact O-N 3.05Å
256S41.1Very low61.3Low109 Ų10981.7 Ų81.776%0.76244%0.436SS*.  trans-88.590.5-170.559.70000113.9
257S48.1Very low63.3Low108 Ų10880.4 Ų80.476%0.75543%0.426SS*.SBendtrans-122.1-19.4170.660.60000115.8S255S255-S257 PolarHBondContact O-N 3.05Å
258M63Low65.2Low117 Ų11779.5 Ų79.558%0.57641%0.41SS*.SBendtrans-134.1-6.2177.6-79.3-177.9148.200115.4V237V237-M258 PolarHBondContact N-O 2.92Å
259A75.9Confident66.4Low32 Ų3276 Ų7626%0.26440%0.399SS..EExtended strand (participates in β ladder)trans-91.7106.4176.700000110.4V235 Y236V235-A259 CarbonylContact O-C 3.59Å; Y236-A259 HydrophobicContact CD1-CB 3.93Å; Y236-A259 HydrophobicContact CE1-CB 3.5Å; Y236-A259 VanDerWaalsContact CE1-CB 3.5Å; Y236-A259 HydrophobicContact CE2-CB 4.49Å
260V85.4Confident67.4Low19 Ų1977 Ų7712%0.11541%0.405CS..EExtended strand (participates in β ladder)trans-89.3127.3176-164.30000109.5V235 V237 L289 H291 I293V235-V260 PolarHBondContact N-O 2.04Å; V235-V260 PolarHBondContact O-N 2.91Å; V237-V260 HydrophobicContact CG2-CG2 3.97Å; V260-L289 HydrophobicContact CB-CD1 4.24Å; V260-L289 HydrophobicContact CB-CD2 4.46Å; V260-L289 HydrophobicContact CG1-CB 3.81Å; V260-L289 HydrophobicContact CG1-CD1 4.11Å; V260-L289 HydrophobicContact CG1-CD2 4.42Å; V260-L289 HydrophobicContact CG1-CG 4.34Å; V260-H291 HydrophobicContact CG1-CB 4.07Å; V260-I293 HydrophobicContact CG2-CD1 4.21Å; V260-I293 HydrophobicContact CG2-CG1 4.22Å
261P89.2Confident68.4Low25 Ų2574.9 Ų74.916%0.16240%0.398CS..EExtended strand (participates in β ladder)trans-67.7154.9173.3-16.530.3000112.4L289 E290P261-L289 WeakPolarHBondContact O-CA 2.95Å; P261-E290 HydrophobicContact CB-CB 4.32Å; P261-E290 VanDerWaalsContact CB-CD 3.46Å; P261-E290 HydrophobicContact CB-CG 4.01Å; P261-E290 VanDerWaalsContact CB-OE2 3.26Å; P261-E290 WeakPolarHBondContact CB-OE2 2.96Å; P261-E290 WeakPolarHBondContact CG-OE2 3.47Å; P261-E290 PolarHBondContact O-N 2.89Å
262V91.4Very high69.3Low4 Ų466.3 Ų66.32%0.02436%0.361CS..EExtended strand (participates in β ladder)trans-90.9125.1176.7178.60000110T230 V235 I265 V287 L289T230-V262 WeakPolarHBondContact CB-O 3.36Å; T230-V262 HydrophobicContact CG2-CG1 4.03Å; V235-V262 HydrophobicContact CG2-CG2 4Å; V262-I265 HydrophobicContact CG1-CD1 3.98Å; V262-I265 HydrophobicContact CG1-CG1 3.56Å; V262-V287 HydrophobicContact CB-CG1 4.29Å; V262-V287 HydrophobicContact CG1-CG1 3.61Å; V262-V287 HydrophobicContact CG2-CG1 3.7Å; V262-L289 HydrophobicContact CG2-CD2 4.49Å
263K92.8Very high70.3Confident113 Ų11368.2 Ų68.249%0.49136%0.363SS..EExtended strand (participates in β ladder)trans-82.4-46.3176.2178.6179.2176.5-178.50111.9K288 L289 E290K263-K288 WeakPolarHBondContact CB-O 3.37Å; K263-K288 PolarHBondContact N-O 2.88Å; K263-L289 WeakPolarHBondContact CB-O 3.33Å; K263-E290 HydrophobicContact CB-CG 3.92Å
264S91.8Very high70.9Confident41 Ų4163.9 Ų63.929%0.28734%0.341SS..EExtended strand (participates in β ladder)trans-154.4156.6176.362.90000112K288S264-K288 PolarHBondContact N-O 2.6Å; S264-K288 PolarHBondContact O-N 3.09Å; S264-K288 WeakPolarHBondContact OG-CB 3.39Å
265I89.6Confident71.6Confident17 Ų1755.1 Ų55.19%0.08731%0.31CS..EExtended strand (participates in β ladder)trans-128.4125.4178.2-63.2163.4000108V225 R228 T230 Y233 V262 T267 V287V225-I265 HydrophobicContact CB-CD1 4.19Å; V225-I265 HydrophobicContact CB-CG2 3.85Å; V225-I265 HydrophobicContact CG2-CG2 3.61Å; R228-I265 HydrophobicContact CB-CB 4.26Å; R228-I265 HydrophobicContact CB-CG2 4.29Å; R228-I265 HydrophobicContact CG-CG2 4.11Å; T230-I265 HydrophobicContact CG2-CD1 4.35Å; T230-I265 HydrophobicContact CG2-CG1 4.34Å; Y233-I265 HydrophobicContact CD2-CD1 3.51Å; Y233-I265 HydrophobicContact CE2-CD1 3.93Å; Y233-I265 HydrophobicContact CG-CD1 4.41Å; V262-I265 HydrophobicContact CG1-CD1 3.98Å; V262-I265 HydrophobicContact CG1-CG1 3.56Å; I265-T267 HydrophobicContact CG2-CG2 4.01Å; I265-V287 HydrophobicContact CG1-CG1 4.45Å; I265-V287 HydrophobicContact CG1-CG2 4.46Å
266L88.6Confident71.9Confident47 Ų4758 Ų5825%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-117.4124.2169.7-173.658.5000108.6F268 A285 I286 T420L266-F268 HydrophobicContact CD1-CE1 4.48Å; L266-F268 HydrophobicContact CD2-CE1 3.84Å; L266-F268 HydrophobicContact CD2-CE2 4.24Å; L266-F268 HydrophobicContact CD2-CZ 3.35Å; L266-F268 HydrophobicContact CG-CE1 3.91Å; L266-F268 HydrophobicContact CG-CE2 4.17Å; L266-F268 HydrophobicContact CG-CZ 3.58Å; L266-A285 CarbonylContact O-C 3.56Å; L266-A285 VanDerWaalsContact O-CA 3.29Å; L266-A285 WeakPolarHBondContact O-CA 3.26Å; L266-I286 PolarHBondContact N-O 3.31Å; L266-I286 PolarHBondContact O-N 2.98Å; L266-T420 HydrophobicContact CD2-CG2 4.15Å; L266-T420 WeakPolarHBondContact CD2-OG1 3.3Å
267T84.3Confident72.1Confident5 Ų558.1 Ų58.13%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-113.6140.2175.661.60000109.9V225 R228 I265 P269 A285V225-T267 HydrophobicContact CG2-CG2 4.08Å; R228-T267 HydrophobicContact CG-CG2 4.28Å; R228-T267 VanDerWaalsContact CZ-OG1 3.32Å; R228-T267 PolarHBondContact NE-OG1 2.99Å; R228-T267 PolarHBondContact NH2-O 3.5Å; R228-T267 PolarHBondContact NH2-OG1 2.03Å; I265-T267 HydrophobicContact CG2-CG2 4.01Å; T267-P269 VanDerWaalsContact C-CD 3.47Å; T267-P269 WeakPolarHBondContact O-CD 3.25Å; T267-A285 HydrophobicContact CG2-CB 3.94Å
268F82.4Confident72.4Confident41 Ų4159.4 Ų59.418%0.1831%0.307CS..EExtended strand (participates in β ladder)trans-111.480.8175-55.6-70.9000108.7L266 G283 A284 I286 L413 K416L266-F268 HydrophobicContact CD1-CE1 4.48Å; L266-F268 HydrophobicContact CD2-CE1 3.84Å; L266-F268 HydrophobicContact CD2-CE2 4.24Å; L266-F268 HydrophobicContact CD2-CZ 3.35Å; L266-F268 HydrophobicContact CG-CE1 3.91Å; L266-F268 HydrophobicContact CG-CE2 4.17Å; L266-F268 HydrophobicContact CG-CZ 3.58Å; F268-G283 WeakPolarHBondContact O-CA 3.12Å; F268-A284 HydrophobicContact CD2-CB 4.44Å; F268-A284 PolarHBondContact N-O 3.34Å; F268-A284 PolarHBondContact O-N 2.94Å; F268-I286 HydrophobicContact CE2-CD1 3.64Å; F268-I286 HydrophobicContact CE2-CG1 4Å; F268-I286 HydrophobicContact CZ-CD1 4.12Å; F268-L413 HydrophobicContact CD2-CD1 3.89Å; F268-L413 HydrophobicContact CE2-CD1 3.9Å; F268-K416 HydrophobicContact CD1-CD 3.79Å; F268-K416 HydrophobicContact CD2-CD 4.12Å; F268-K416 HydrophobicContact CE1-CB 4.09Å; F268-K416 HydrophobicContact CE1-CD 3.75Å; F268-K416 HydrophobicContact CE1-CG 4.18Å; F268-K416 HydrophobicContact CE2-CB 3.94Å; F268-K416 HydrophobicContact CE2-CD 4.08Å; F268-K416 HydrophobicContact CG-CD 3.96Å; F268-K416 HydrophobicContact CZ-CB 3.56Å; F268-K416 HydrophobicContact CZ-CD 3.9Å; F268-K416 HydrophobicContact CZ-CG 4.15Å
269P69.9Low72Confident46 Ų4656.4 Ų56.430%0.29929%0.293SS..EExtended strand (participates in β ladder)trans-68.1139.1-175.330.1-37.4000111.8W226 T267 Y271 A282W226-P269 HydrophobicContact CH2-CB 3.32Å; W226-P269 HydrophobicContact CH2-CG 4.46Å; W226-P269 HydrophobicContact CZ2-CB 4.34Å; W226-P269 HydrophobicContact CZ3-CB 3.64Å; T267-P269 VanDerWaalsContact C-CD 3.47Å; T267-P269 WeakPolarHBondContact O-CD 3.25Å; P269-Y271 HydrophobicContact CB-CE2 4.22Å; P269-Y271 HydrophobicContact CG-CE2 4.48Å; P269-A282 CarbonylContact C-O 3.48Å; P269-A282 WeakPolarHBondContact CA-O 3.29Å
270L67.9Low71.2Confident64 Ų6455.7 Ų55.734%0.33529%0.286SS..EExtended strand (participates in β ladder)trans-121.9113.7163.5-66.7176.4000106.8L272 A282 F353 M408L270-L272 PolarHBondContact O-N 3.37Å; L270-A282 PolarHBondContact N-O 2.9Å; L270-A282 WeakPolarHBondContact O-CA 3.46Å; L270-A282 PolarHBondContact O-N 2.76Å; L270-F353 HydrophobicContact CD1-CB 4.33Å; L270-F353 HydrophobicContact CD1-CD1 3.71Å; L270-F353 HydrophobicContact CD1-CE1 4.29Å; L270-F353 HydrophobicContact CD1-CG 4.11Å; L270-M408 HydrophobicContact CD1-CE 4.25Å; L270-M408 HydrophobicContact CD1-SD 4.02Å
271Y66.5Low70.2Confident118 Ų11856 Ų5646%0.46329%0.291SS..EExtended strand (participates in β ladder)trans-84108.7176.9-65.8-72.1000109.2L20 W226 P269L20-Y271 HydrophobicContact CD2-CD1 4.22Å; L20-Y271 HydrophobicContact CD2-CE1 3.97Å; W226-Y271 AromaticContact CH2-CE1 3.73Å; W226-Y271 HydrophobicContact CH2-CE1 3.73Å; W226-Y271 AromaticContact CH2-CZ 3.92Å; W226-Y271 AromaticContact CZ2-CE1 3.65Å; W226-Y271 HydrophobicContact CZ2-CE1 3.65Å; W226-Y271 AromaticContact CZ2-CZ 3.81Å; W226-Y271 WeakPolarHBondContact CZ2-OH 3.1Å; P269-Y271 HydrophobicContact CB-CE2 4.22Å; P269-Y271 HydrophobicContact CG-CE2 4.48Å
272L64.9Low69.4Low7 Ų754.8 Ų54.84%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-101.2132.1178.3-60.2-178.3000109.7L270 L274 S280 A282 Y350 F353 Q354 M408L270-L272 PolarHBondContact O-N 3.37Å; L272-L274 PolarHBondContact O-N 2.98Å; L272-S280 PolarHBondContact N-O 3.11Å; L272-S280 PolarHBondContact O-N 2.62Å; L272-A282 HydrophobicContact CD1-CB 4.12Å; L272-A282 HydrophobicContact CG-CB 4.38Å; L272-Y350 HydrophobicContact CB-CD2 4.11Å; L272-Y350 HydrophobicContact CB-CE2 4.02Å; L272-Y350 HydrophobicContact CD1-CD2 4.1Å; L272-Y350 HydrophobicContact CD2-CD1 4.49Å; L272-Y350 HydrophobicContact CD2-CD2 3.94Å; L272-Y350 HydrophobicContact CD2-CE2 4.36Å; L272-Y350 HydrophobicContact CD2-CG 4Å; L272-Y350 HydrophobicContact CG-CD2 4.27Å; L272-F353 HydrophobicContact CD2-CD2 3.87Å; L272-Q354 HydrophobicContact CD1-CG 4.16Å; L272-M408 HydrophobicContact CD1-CE 3.97Å
273R60.5Low69Low109 Ų10954.7 Ų54.741%0.41128%0.283SS..EExtended strand (participates in β ladder)trans-85.5107.1177.4-177.5177.3-172.9162.713.4109.7G275 I276 Y350R273-G275 WeakPolarHBondContact CG-O 3.4Å; R273-G275 PolarHBondContact NE-O 2.85Å; R273-I276 PolarHBondContact NH2-O 3.21Å; R273-Y350 PolarHBondContact O-OH 3.31Å
274L58.4Low68.8Low28 Ų2849.7 Ų49.715%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-96.8105.6170.9-59.9-179.4000107.9L272 H278 E348L272-L274 PolarHBondContact O-N 2.98Å; L274-H278 HydrophobicContact CB-CB 4.39Å; L274-H278 PolarHBondContact N-O 3.39Å; L274-H278 WeakPolarHBondContact O-CB 3.48Å; L274-H278 PolarHBondContact O-N 3.14Å; L274-E348 HydrophobicContact CD2-CB 4.23Å
275G53.2Low68.8Low25 Ų2547.7 Ų47.726%0.25825%0.248SC..THydrogen-bonded Turntrans64.9-152.5-177.300000114.4R273 E348R273-G275 WeakPolarHBondContact CG-O 3.4Å; R273-G275 PolarHBondContact NE-O 2.85Å; G275-E348 WeakPolarHBondContact CA-OE1 3.47Å; G275-E348 PolarHBondContact N-OE1 3.15Å; G275-E348 VanDerWaalsContact N-OE1 3.13Å; G275-E348 PolarHBondContact N-OE2 3.16Å
276I45Very low69Low143 Ų14347 Ų4773%0.73324%0.244SC*.THydrogen-bonded Turntrans-77.5-33.3-173-60.3176.3000111.5R273R273-I276 PolarHBondContact NH2-O 3.21Å
277V45.8Very low69.2Low111 Ų11144.7 Ų44.767%0.67323%0.233SC*.THydrogen-bonded Turntrans-118.2-26.1-161.8-170.60000114.3
278H53.1Low69.7Low136 Ų13644.8 Ų44.863%0.6323%0.233SC*.EExtended strand (participates in β ladder)trans-99.4118.6-170.7-62.8-66.2000113L274L274-H278 HydrophobicContact CB-CB 4.39Å; L274-H278 PolarHBondContact N-O 3.39Å; L274-H278 WeakPolarHBondContact O-CB 3.48Å; L274-H278 PolarHBondContact O-N 3.14Å
279L55.3Low70.1Confident54 Ų5442.9 Ų42.928%0.28322%0.224SC..EExtended strand (participates in β ladder)trans-88.2117.7160.5-80172.1000109.4L18 L20L18-L279 HydrophobicContact CD1-CD1 3.82Å; L18-L279 HydrophobicContact CD1-CG 4.12Å; L18-L279 HydrophobicContact CD2-CD1 3.86Å; L18-L279 HydrophobicContact CD2-CD2 3.89Å; L18-L279 HydrophobicContact CD2-CG 3.89Å; L18-L279 HydrophobicContact CG-CD1 3.97Å; L18-L279 HydrophobicContact CG-CG 4.41Å; L20-L279 HydrophobicContact CB-CD1 3.52Å; L20-L279 HydrophobicContact CD2-CD1 3.57Å; L20-L279 HydrophobicContact CG-CD1 4.16Å
280S60.1Low71.1Confident16 Ų1646 Ų4611%0.11224%0.235CC..EExtended strand (participates in β ladder)trans-88.5116.9167.9-167.40000109.8L272 A282L272-S280 PolarHBondContact N-O 3.11Å; L272-S280 PolarHBondContact O-N 2.62Å; S280-A282 PolarHBondContact O-N 2.94Å; S280-A282 VanDerWaalsContact O-N 3.13Å
281A63.7Low71.9Confident26 Ų2648.4 Ų48.422%0.21524%0.244CC..EExtended strand (participates in β ladder)trans-70.893.6167.700000109.6W226W226-A281 HydrophobicContact CD2-CB 4.23Å; W226-A281 HydrophobicContact CE3-CB 4.03Å; W226-A281 HydrophobicContact CH2-CB 3.39Å; W226-A281 HydrophobicContact CZ2-CB 3.66Å; W226-A281 HydrophobicContact CZ3-CB 3.62Å
282A72Confident72.8Confident0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-112.4179.1-178.500000111.6F221 P269 L270 L272 S280 M408F221-A282 HydrophobicContact CE2-CB 4.06Å; F221-A282 HydrophobicContact CZ-CB 3.74Å; P269-A282 CarbonylContact C-O 3.48Å; P269-A282 WeakPolarHBondContact CA-O 3.29Å; L270-A282 PolarHBondContact N-O 2.9Å; L270-A282 WeakPolarHBondContact O-CA 3.46Å; L270-A282 PolarHBondContact O-N 2.76Å; L272-A282 HydrophobicContact CD1-CB 4.12Å; L272-A282 HydrophobicContact CG-CB 4.38Å; S280-A282 PolarHBondContact O-N 2.94Å; S280-A282 VanDerWaalsContact O-N 3.13Å; A282-M408 HydrophobicContact CB-CE 3.46Å; A282-M408 VanDerWaalsContact CB-CE 3.46Å
283G82.4Confident73.6Confident2 Ų247.2 Ų47.22%0.02125%0.252CS..EExtended strand (participates in β ladder)trans117.2-167.1176.100000114F221 A222 F268F221-G283 WeakPolarHBondContact CD2-O 2.98Å; F221-G283 WeakPolarHBondContact CE2-O 3.45Å; A222-G283 PolarHBondContact N-O 2.88Å; F268-G283 WeakPolarHBondContact O-CA 3.12Å
284A89.8Confident74.3Confident7 Ų745.6 Ų45.66%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-103.4156.7-174.500000112.5F268 F385 L413F268-A284 HydrophobicContact CD2-CB 4.44Å; F268-A284 PolarHBondContact N-O 3.34Å; F268-A284 PolarHBondContact O-N 2.94Å; A284-F385 HydrophobicContact CB-CD2 4.43Å; A284-F385 HydrophobicContact CB-CE2 3.7Å; A284-F385 HydrophobicContact CB-CZ 4.5Å; A284-L413 HydrophobicContact CB-CD1 3.74Å; A284-L413 HydrophobicContact CB-CD2 3.96Å; A284-L413 HydrophobicContact CB-CG 4.46Å
285A90.7Very high75Confident0 Ų045.1 Ų45.10%025%0.254CS..EExtended strand (participates in β ladder)trans-133.3146.9166.100000112.3T220 V225 L266 T267T220-A285 HydrophobicContact CG2-CB 3.87Å; T220-A285 PolarHBondContact N-O 3.15Å; T220-A285 VanDerWaalsContact N-O 3.08Å; T220-A285 PolarHBondContact O-N 2.58Å; V225-A285 HydrophobicContact CG2-CB 3.44Å; V225-A285 VanDerWaalsContact CG2-CB 3.44Å; L266-A285 CarbonylContact O-C 3.56Å; L266-A285 VanDerWaalsContact O-CA 3.29Å; L266-A285 WeakPolarHBondContact O-CA 3.26Å; T267-A285 HydrophobicContact CG2-CB 3.94Å
286I93.5Very high75.5Confident1 Ų149.7 Ų49.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-111.6121.6169.1-58.8171.3000106.7T217 L219 L266 F268 L413 I417 T420T217-I286 HydrophobicContact CG2-CG2 3.93Å; L219-I286 HydrophobicContact CD2-CG1 3.84Å; L266-I286 PolarHBondContact N-O 3.31Å; L266-I286 PolarHBondContact O-N 2.98Å; F268-I286 HydrophobicContact CE2-CD1 3.64Å; F268-I286 HydrophobicContact CE2-CG1 4Å; F268-I286 HydrophobicContact CZ-CD1 4.12Å; I286-L413 HydrophobicContact CD1-CD1 4.27Å; I286-L413 HydrophobicContact CG1-CD1 4.26Å; I286-I417 HydrophobicContact CD1-CB 4.23Å; I286-I417 HydrophobicContact CD1-CG1 3.57Å; I286-I417 HydrophobicContact CG1-CG1 4.25Å; I286-T420 WeakPolarHBondContact CD1-OG1 3.34Å; I286-T420 HydrophobicContact CG2-CG2 4.31Å
287V93.7Very high75.9Confident0 Ų049 Ų490%028%0.275CS..EExtended strand (participates in β ladder)trans-111.5109176.1-179.70000106.8I190 V218 T220 V225 V235 V262 I265 L289I190-V287 HydrophobicContact CD1-CG2 4.49Å; V218-V287 HydrophobicContact CB-CB 4.17Å; V218-V287 PolarHBondContact N-O 3.01Å; V218-V287 PolarHBondContact O-N 3.18Å; T220-V287 HydrophobicContact CG2-CG2 4.22Å; V225-V287 HydrophobicContact CB-CG2 4.36Å; V225-V287 HydrophobicContact CG1-CG2 3.91Å; V225-V287 HydrophobicContact CG2-CG2 3.9Å; V235-V287 HydrophobicContact CG2-CG1 4.24Å; V262-V287 HydrophobicContact CB-CG1 4.29Å; V262-V287 HydrophobicContact CG1-CG1 3.61Å; V262-V287 HydrophobicContact CG2-CG1 3.7Å; I265-V287 HydrophobicContact CG1-CG1 4.45Å; I265-V287 HydrophobicContact CG1-CG2 4.46Å; V287-L289 HydrophobicContact CG1-CD2 4.37Å
288K94.1Very high76.4Confident6 Ų647.2 Ų47.23%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-85.8130.6173.2-79.5-69.9-159.7173.60108.7D216 T217 K263 S264 T420 E421D216-K288 VanDerWaalsContact CG-NZ 3.26Å; D216-K288 CarbonylContact O-C 3.59Å; D216-K288 WeakPolarHBondContact O-CA 3.39Å; D216-K288 IonicContact OD1-NZ 2.71Å; D216-K288 PolarHBondContact OD1-NZ 3.02Å; D216-K288 VanDerWaalsContact OD2-CD 3.29Å; D216-K288 WeakPolarHBondContact OD2-CD 3.42Å; D216-K288 IonicContact OD2-NZ 2.76Å; D216-K288 PolarHBondContact OD2-NZ 2.93Å; T217-K288 WeakPolarHBondContact OG1-CD 3.49Å; T217-K288 WeakPolarHBondContact OG1-CE 3.4Å; T217-K288 PolarHBondContact OG1-NZ 3.18Å; K263-K288 WeakPolarHBondContact CB-O 3.37Å; K263-K288 PolarHBondContact N-O 2.88Å; S264-K288 PolarHBondContact N-O 2.6Å; S264-K288 PolarHBondContact O-N 3.09Å; S264-K288 WeakPolarHBondContact OG-CB 3.39Å; K288-T420 HydrophobicContact CG-CG2 4.3Å; K288-E421 IonicContact NZ-OE1 2.62Å; K288-E421 PolarHBondContact NZ-OE1 2.82Å
289L92.1Very high76.9Confident2 Ų243.1 Ų43.11%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-89.6158.5-179.9-58-179.4000110.9L206 D216 V218 V235 V260 P261 V262 K263 V287 H291 I293L206-L289 HydrophobicContact CD2-CD1 4.23Å; D216-L289 HydrophobicContact CB-CB 4.48Å; D216-L289 WeakPolarHBondContact O-CB 3.36Å; D216-L289 WeakPolarHBondContact O-CG 3.28Å; D216-L289 PolarHBondContact O-N 3.16Å; V218-L289 HydrophobicContact CG2-CD1 4.06Å; V218-L289 HydrophobicContact CG2-CD2 4.48Å; V218-L289 HydrophobicContact CG2-CG 4.36Å; V235-L289 HydrophobicContact CB-CD2 3.72Å; V235-L289 HydrophobicContact CG1-CD2 4.23Å; V235-L289 HydrophobicContact CG2-CD2 3.6Å; V260-L289 HydrophobicContact CB-CD1 4.24Å; V260-L289 HydrophobicContact CB-CD2 4.46Å; V260-L289 HydrophobicContact CG1-CB 3.81Å; V260-L289 HydrophobicContact CG1-CD1 4.11Å; V260-L289 HydrophobicContact CG1-CD2 4.42Å; V260-L289 HydrophobicContact CG1-CG 4.34Å; P261-L289 WeakPolarHBondContact O-CA 2.95Å; V262-L289 HydrophobicContact CG2-CD2 4.49Å; K263-L289 WeakPolarHBondContact CB-O 3.33Å; V287-L289 HydrophobicContact CG1-CD2 4.37Å; L289-H291 VanDerWaalsContact C-N 3.3Å; L289-I293 HydrophobicContact CD1-CD1 3.33Å; L289-I293 HydrophobicContact CD1-CG1 4.43Å
290E89.8Confident77.6Confident110 Ų11047.1 Ų47.151%0.51426%0.264SS..EExtended strand (participates in β ladder)trans-71.2-27.3173.2-74.4-177.7-177.800112.6P261 K263P261-E290 HydrophobicContact CB-CB 4.32Å; P261-E290 VanDerWaalsContact CB-CD 3.46Å; P261-E290 HydrophobicContact CB-CG 4.01Å; P261-E290 VanDerWaalsContact CB-OE2 3.26Å; P261-E290 WeakPolarHBondContact CB-OE2 2.96Å; P261-E290 WeakPolarHBondContact CG-OE2 3.47Å; P261-E290 PolarHBondContact O-N 2.89Å; K263-E290 HydrophobicContact CB-CG 3.92Å
291H86.2Confident78.2Confident116 Ų11648.1 Ų48.154%0.53727%0.27SS..EExtended strand (participates in β ladder)trans-130.2136-176.7-5586.4000110.4V260 L289V260-H291 HydrophobicContact CG1-CB 4.07Å; L289-H291 VanDerWaalsContact C-N 3.3Å
292S84.9Confident79.2Confident75 Ų7547.3 Ų47.352%0.52426%0.262SS..EExtended strand (participates in β ladder)trans-73.9136.5173.2-50.30000110.9S215S215-S292 WeakPolarHBondContact O-CA 3.26Å
293I81.1Confident80Confident25 Ų2550.2 Ų50.213%0.12828%0.282CS..EExtended strand (participates in β ladder)trans-94.1129.2179.7-68.2146.9000109L206 Y214 S215 V237 V260 L289L206-I293 HydrophobicContact CD1-CB 4.36Å; L206-I293 HydrophobicContact CD1-CD1 3.82Å; L206-I293 HydrophobicContact CD1-CG2 4.02Å; L206-I293 HydrophobicContact CD2-CD1 3.62Å; L206-I293 HydrophobicContact CG-CD1 4.36Å; Y214-I293 CarbonylContact C-O 3.55Å; Y214-I293 WeakPolarHBondContact CA-O 3.46Å; S215-I293 PolarHBondContact N-O 3.02Å; S215-I293 PolarHBondContact O-N 2.86Å; V237-I293 HydrophobicContact CB-CD1 4.39Å; V237-I293 HydrophobicContact CG1-CD1 4.14Å; V237-I293 HydrophobicContact CG1-CG1 4.42Å; V237-I293 HydrophobicContact CG1-CG2 3.83Å; V237-I293 HydrophobicContact CG2-CD1 3.43Å; V237-I293 VanDerWaalsContact CG2-CD1 3.43Å; V237-I293 HydrophobicContact CG2-CG1 4.13Å; V260-I293 HydrophobicContact CG2-CD1 4.21Å; V260-I293 HydrophobicContact CG2-CG1 4.22Å; L289-I293 HydrophobicContact CD1-CD1 3.33Å; L289-I293 HydrophobicContact CD1-CG1 4.43Å
294S75.8Confident80.4Confident74 Ų7450.4 Ų50.452%0.51728%0.283SS..EExtended strand (participates in β ladder)trans-71.6132.8169.5-166.70000110.5Y214Y214-S294 VanDerWaalsContact CE1-CB 3.48Å
295L72.4Confident80.4Confident19 Ų1950.5 Ų50.510%0.09928%0.283CS..PPolyproline II helixtrans-100.1125.3177.2-65.2136.5000109.6P186 V208 S213 T297P186-L295 HydrophobicContact CB-CD2 3.47Å; P186-L295 VanDerWaalsContact CB-CD2 3.47Å; P186-L295 HydrophobicContact CG-CD2 3.82Å; V208-L295 HydrophobicContact CB-CD1 4.02Å; V208-L295 HydrophobicContact CG1-CD1 3.51Å; V208-L295 HydrophobicContact CG2-CD1 3.3Å; V208-L295 HydrophobicContact CG2-CD2 4.21Å; V208-L295 HydrophobicContact CG2-CG 4.38Å; S213-L295 PolarHBondContact O-N 3.23Å; L295-T297 PolarHBondContact O-N 3.42Å
296I64.9Low80.2Confident120 Ų12055.3 Ų55.362%0.61530%0.302SS*.PPolyproline II helixtrans-61136169.5-55.4166.7000107.4S298 L299I296-S298 WeakPolarHBondContact CG2-OG 3.46Å; I296-S298 PolarHBondContact O-N 2.85Å; I296-L299 WeakPolarHBondContact O-CB 3.2Å; I296-L299 PolarHBondContact O-N 3Å
297T53.4Low79.5Confident130 Ų13058.8 Ų58.880%0.79833%0.325SS*.THydrogen-bonded Turntrans-55.2-18.3-173.7-400000115L295L295-T297 PolarHBondContact O-N 3.42Å
298S54.7Low78.9Confident72 Ų7268.1 Ų68.150%0.50336%0.36SS..THydrogen-bonded Turntrans-78.5-23.5173.754.60000114.2I296 K300I296-S298 WeakPolarHBondContact CG2-OG 3.46Å; I296-S298 PolarHBondContact O-N 2.85Å; S298-K300 PolarHBondContact O-N 2.86Å
299L65.2Low78.6Confident51 Ų5169.5 Ų69.527%0.26737%0.366SS..BIsolated β-bridgetrans-86.1101.5175-62.1178.6000109.3A184 P186 I296A184-L299 HydrophobicContact CB-CD2 3.68Å; A184-L299 WeakPolarHBondContact O-CA 3.35Å; P186-L299 HydrophobicContact CB-CD1 4.44Å; I296-L299 WeakPolarHBondContact O-CB 3.2Å; I296-L299 PolarHBondContact O-N 3Å
300K69.2Low78.4Confident137 Ų13772.2 Ų72.260%0.59639%0.385SS*.  trans-109.1116173-69.9-175.1179.1179.30108.5P183 A184 S298P183-K300 HydrophobicContact CB-CB 4.39Å; A184-K300 PolarHBondContact O-N 2.84Å; A184-K300 VanDerWaalsContact O-N 3.11Å; S298-K300 PolarHBondContact O-N 2.86Å
301P72.6Confident78.5Confident37 Ų3767.3 Ų67.324%0.2436%0.364CS..PPolyproline II helixtrans-64.5160.8173.335-41.3000109.9P186 V208P186-P301 HydrophobicContact CG-CB 4.17Å; V208-P301 HydrophobicContact CB-CG 3.78Å; V208-P301 HydrophobicContact CG2-CB 4.17Å; V208-P301 HydrophobicContact CG2-CG 3.6Å
302Y85.3Confident78.8Confident9 Ų965.8 Ų65.84%0.03536%0.36CS..PPolyproline II helixtrans-78140173-55.5-76.6000110.1L182 P183 A185 I205 I320 V373 W380L182-Y302 HydrophobicContact CD1-CE1 3.65Å; L182-Y302 WeakPolarHBondContact CD1-OH 3.37Å; L182-Y302 HydrophobicContact CG-CE1 4.36Å; L182-Y302 WeakPolarHBondContact CG-OH 3.39Å; P183-Y302 HydrophobicContact CG-CD1 4.49Å; P183-Y302 HydrophobicContact CG-CE1 3.75Å; P183-Y302 PolarHBondContact O-OH 3.32Å; A185-Y302 HydrophobicContact CB-CD2 4.36Å; A185-Y302 HydrophobicContact CB-CE2 3.45Å; A185-Y302 VanDerWaalsContact CB-CE2 3.45Å; I205-Y302 HydrophobicContact CD1-CD2 3.89Å; I205-Y302 HydrophobicContact CD1-CE2 4.38Å; Y302-I320 HydrophobicContact CD2-CD1 4.41Å; Y302-I320 HydrophobicContact CE2-CD1 3.29Å; Y302-I320 VanDerWaalsContact CZ-CD1 3.42Å; Y302-I320 WeakPolarHBondContact OH-CD1 3.4Å; Y302-V373 HydrophobicContact CD1-CB 4.45Å; Y302-V373 HydrophobicContact CD1-CG1 4.11Å; Y302-V373 HydrophobicContact CD2-CG1 3.44Å; Y302-V373 VanDerWaalsContact CD2-CG1 3.44Å; Y302-V373 HydrophobicContact CE1-CG1 4.32Å; Y302-V373 HydrophobicContact CE1-CG2 4.47Å; Y302-V373 HydrophobicContact CE2-CG1 3.69Å; Y302-V373 HydrophobicContact CG-CB 4.45Å; Y302-V373 HydrophobicContact CG-CG1 3.67Å; Y302-W380 HydrophobicContact CD1-CB 3.65Å; Y302-W380 HydrophobicContact CE1-CB 3.69Å; Y302-W380 HydrophobicContact CE1-CG 4.49Å
303S88.3Confident79.1Confident61 Ų6164.9 Ų64.943%0.42735%0.352SS..EExtended strand (participates in β ladder)trans-61142.2160.853.20000109.1K381 Q382S303-K381 CarbonylContact O-C 3.57Å; S303-K381 VanDerWaalsContact O-CA 3.23Å; S303-K381 WeakPolarHBondContact O-CA 3.28Å; S303-Q382 PolarHBondContact O-N 2.81Å
304L90.8Very high79.5Confident6 Ų667.6 Ų67.63%0.03139%0.386CS..EExtended strand (participates in β ladder)trans-67.6152.5171.9-52-175.9000109.7Y207 L219 Q382 L410 E414 I417Y207-L304 HydrophobicContact CD2-CD1 4.19Å; Y207-L304 HydrophobicContact CD2-CD2 4.32Å; Y207-L304 HydrophobicContact CD2-CG 4.24Å; Y207-L304 HydrophobicContact CE2-CD1 3.92Å; Y207-L304 HydrophobicContact CE2-CG 4Å; L219-L304 HydrophobicContact CD1-CD1 4.17Å; L219-L304 HydrophobicContact CD1-CD2 3.88Å; L304-Q382 HydrophobicContact CD2-CB 4.25Å; L304-L410 HydrophobicContact CB-CD1 3.88Å; L304-L410 HydrophobicContact CD2-CD1 3.83Å; L304-L410 HydrophobicContact CG-CD1 4.29Å; L304-E414 HydrophobicContact CD1-CB 4.08Å; L304-E414 HydrophobicContact CD1-CG 4.36Å; L304-I417 HydrophobicContact CD1-CD1 3.94Å
305S90.3Very high80.4Confident10 Ų1066.1 Ų66.17%0.0737%0.372CS..PPolyproline II helixtrans-73.1136.9167.359.80000110.2E309 Q382S305-E309 WeakPolarHBondContact CA-OE2 3.36Å; S305-Q382 WeakPolarHBondContact CB-O 3.35Å; S305-Q382 PolarHBondContact N-O 3.43Å; S305-Q382 PolarHBondContact OG-O 3.03Å
306Y85Confident81.4Confident101 Ų10167.6 Ų67.640%0.39638%0.384SS..PPolyproline II helixtrans-66155.6170.3-63.6-59.9000111.1W308 E309Y306-W308 VanDerWaalsContact CB-CE2 3.42Å; Y306-W308 VanDerWaalsContact CB-CZ2 3.4Å; Y306-W308 AromaticContact CD1-CH2 3.83Å; Y306-W308 HydrophobicContact CD1-CH2 3.83Å; Y306-W308 AromaticContact CD1-CZ2 4Å; Y306-W308 HydrophobicContact CD1-CZ2 4Å; Y306-W308 HydrophobicContact CD2-CH2 4.28Å; Y306-W308 AromaticContact CD2-CZ2 3.59Å; Y306-W308 HydrophobicContact CD2-CZ2 3.59Å; Y306-W308 HydrophobicContact CE2-CZ2 4.36Å; Y306-W308 AromaticContact CG-CE2 3.9Å; Y306-W308 AromaticContact CG-CH2 3.67Å; Y306-W308 HydrophobicContact CG-CH2 3.67Å; Y306-W308 AromaticContact CG-CZ2 3.38Å; Y306-W308 HydrophobicContact CG-CZ2 3.38Å; Y306-W308 HydrophobicContact CG-CZ3 4.39Å; Y306-W308 PolarHBondContact O-N 2.6Å; Y306-E309 HydrophobicContact CD2-CG 4.39Å; Y306-E309 PolarHBondContact N-OE2 2.86Å; Y306-E309 WeakPolarHBondContact O-CB 3.23Å; Y306-E309 PolarHBondContact O-N 3.29Å
307P79.7Confident82.8Confident74 Ų7462 Ų6248%0.48136%0.355SS..THydrogen-bonded Turntrans-58.1-25-176.7-28.236.4000115.4D412P307-D412 HydrophobicContact CG-CB 3.81Å
308W80.9Confident84.8Confident196 Ų19656.6 Ų56.674%0.74232%0.32SS*.THydrogen-bonded Turntrans-89.9-11.6175.860.684000113.9Y306Y306-W308 VanDerWaalsContact CB-CE2 3.42Å; Y306-W308 VanDerWaalsContact CB-CZ2 3.4Å; Y306-W308 AromaticContact CD1-CH2 3.83Å; Y306-W308 HydrophobicContact CD1-CH2 3.83Å; Y306-W308 AromaticContact CD1-CZ2 4Å; Y306-W308 HydrophobicContact CD1-CZ2 4Å; Y306-W308 HydrophobicContact CD2-CH2 4.28Å; Y306-W308 AromaticContact CD2-CZ2 3.59Å; Y306-W308 HydrophobicContact CD2-CZ2 3.59Å; Y306-W308 HydrophobicContact CE2-CZ2 4.36Å; Y306-W308 AromaticContact CG-CE2 3.9Å; Y306-W308 AromaticContact CG-CH2 3.67Å; Y306-W308 HydrophobicContact CG-CH2 3.67Å; Y306-W308 AromaticContact CG-CZ2 3.38Å; Y306-W308 HydrophobicContact CG-CZ2 3.38Å; Y306-W308 HydrophobicContact CG-CZ3 4.39Å; Y306-W308 PolarHBondContact O-N 2.6Å
309E87.8Confident86.7Confident34 Ų3453.2 Ų53.216%0.15930%0.296CS..  trans-84.7117.4174.6-69.7177.8149.100109.6S305 Y306 K381S305-E309 WeakPolarHBondContact CA-OE2 3.36Å; Y306-E309 HydrophobicContact CD2-CG 4.39Å; Y306-E309 PolarHBondContact N-OE2 2.86Å; Y306-E309 WeakPolarHBondContact O-CB 3.23Å; Y306-E309 PolarHBondContact O-N 3.29Å; E309-K381 IonicContact OE1-NZ 3.28Å; E309-K381 PolarHBondContact OE1-NZ 3.11Å; E309-K381 WeakPolarHBondContact OE2-CD 3.43Å; E309-K381 IonicContact OE2-NZ 3.7Å; E309-K381 PolarHBondContact OE2-NZ 2.79Å
310S87.4Confident88Confident59 Ų5951.1 Ų51.141%0.41329%0.286SS..  trans-113.7144.917758.30000112Y355S310-Y355 WeakPolarHBondContact CA-OH 3.27Å
311A93.2Very high89Confident7 Ų744.6 Ų44.66%0.05826%0.257CS..  trans-80.9132.9172.400000109.9M315 L335 Y355 C374 V383A311-M315 HydrophobicContact CB-SD 4.41Å; A311-L335 HydrophobicContact CB-CD1 3.47Å; A311-L335 VanDerWaalsContact CB-CD1 3.47Å; A311-Y355 HydrophobicContact CB-CE1 4Å; A311-Y355 HydrophobicContact CB-CE2 4.26Å; A311-Y355 PolarHBondContact N-OH 3.49Å; A311-Y355 WeakPolarHBondContact O-CE1 3.36Å; A311-C374 HydrophobicContact CB-CB 4.33Å; A311-V383 HydrophobicContact CB-CB 4.41Å; A311-V383 HydrophobicContact CB-CG1 4.31Å; A311-V383 HydrophobicContact CB-CG2 4.15Å
312N92.6Very high89.4Confident84 Ų8443 Ų4345%0.44925%0.247SC..  trans-107.2153.1-177.2-71.6-39.8000111.7G314 M315N312-G314 PolarHBondContact O-N 3.04Å; N312-M315 HydrophobicContact CB-CE 4.13Å; N312-M315 HydrophobicContact CB-CG 4.25Å; N312-M315 HydrophobicContact CB-SD 4.3Å; N312-M315 PolarHBondContact N-SD 3.21Å; N312-M315 WeakPolarHBondContact O-CB 3.25Å; N312-M315 PolarHBondContact O-N 2.9Å
313P90.4Very high89.4Confident56 Ų5643.2 Ų43.236%0.36425%0.249SC..THydrogen-bonded Turntrans-55.5-23.4-175.8-3138.4000117.1L335 P337P313-L335 VanDerWaalsContact CA-O 3.27Å; P313-L335 WeakPolarHBondContact CA-O 3.47Å; P313-L335 VanDerWaalsContact CB-O 3.31Å; P313-L335 WeakPolarHBondContact CB-O 3.32Å; P313-P337 HydrophobicContact CB-CG 4.07Å; P313-P337 HydrophobicContact CG-CB 4.23Å; P313-P337 HydrophobicContact CG-CG 3.86Å
314G90.3Very high88.9Confident82 Ų8242.9 Ų42.985%0.84526%0.256SS*.THydrogen-bonded Turntrans-91.60.3176.500000115.2N312N312-G314 PolarHBondContact O-N 3.04Å
315M93.3Very high88.2Confident44 Ų4450 Ų5022%0.21729%0.289CS..SBendtrans-80.5139179.6-68179.5174.700111.3A311 N312 C317 I376A311-M315 HydrophobicContact CB-SD 4.41Å; N312-M315 HydrophobicContact CB-CE 4.13Å; N312-M315 HydrophobicContact CB-CG 4.25Å; N312-M315 HydrophobicContact CB-SD 4.3Å; N312-M315 PolarHBondContact N-SD 3.21Å; N312-M315 WeakPolarHBondContact O-CB 3.25Å; N312-M315 PolarHBondContact O-N 2.9Å; M315-C317 PolarHBondContact O-N 2.86Å; M315-I376 HydrophobicContact CE-CG1 4.35Å; M315-I376 HydrophobicContact SD-CG1 3.97Å
316S93.6Very high87.3Confident50 Ų5050.9 Ų50.935%0.3529%0.291SS..  trans-64.6115.6167.6-45.10000109.5C374 N375 W380S316-C374 WeakPolarHBondContact O-CA 3.14Å; S316-N375 PolarHBondContact O-N 2.67Å; S316-W380 WeakPolarHBondContact O-CZ3 3.45Å
317C95.9Very high86.9Confident3 Ų350.4 Ų50.42%0.0230%0.295CS..EExtended strand (participates in β ladder)trans-126.9145.9178.4-61.10000111.4M315 Y333 L372 V373 C374M315-C317 PolarHBondContact O-N 2.86Å; C317-Y333 PolarHBondContact O-N 3.25Å; C317-L372 HydrophobicContact CB-CD1 4.12Å; C317-V373 CarbonylContact C-O 3.55Å; C317-V373 WeakPolarHBondContact CA-O 3.24Å; C317-C374 HydrophobicContact CB-CB 4.16Å; C317-C374 WeakPolarHBondContact CB-SG 3.1Å; C317-C374 WeakPolarHBondContact SG-CB 3.07Å; C317-C374 CovalentContact SG-SG 2.04Å; C317-C374 PolarHBondContact SG-SG 3.28Å
318Y95Very high86.9Confident16 Ų1648.1 Ų48.16%0.06328%0.28CS..EExtended strand (participates in β ladder)trans-134.4139.7180-64.3-88.9000110.6H148 L182 R330 V331 A332 V373 W380H148-Y318 PolarHBondContact CD2-OH 3.19Å; L182-Y318 HydrophobicContact CD2-CD2 4.34Å; L182-Y318 HydrophobicContact CD2-CG 4.37Å; Y318-R330 HydrophobicContact CD1-CB 4.23Å; Y318-R330 HydrophobicContact CD1-CG 4.26Å; Y318-V331 CarbonylContact C-O 3.6Å; Y318-V331 VanDerWaalsContact CA-O 3.26Å; Y318-V331 WeakPolarHBondContact CA-O 3.35Å; Y318-A332 HydrophobicContact CD1-CB 4.08Å; Y318-A332 HydrophobicContact CE1-CB 3.79Å; Y318-V373 PolarHBondContact N-O 3.44Å; Y318-V373 WeakPolarHBondContact O-CG2 3.34Å; Y318-V373 PolarHBondContact O-N 3.28Å; Y318-W380 AromaticContact CD2-CH2 3.87Å; Y318-W380 HydrophobicContact CD2-CH2 3.87Å; Y318-W380 AromaticContact CD2-CZ3 3.82Å; Y318-W380 HydrophobicContact CD2-CZ3 3.82Å; Y318-W380 AromaticContact CE2-CH2 3.62Å; Y318-W380 HydrophobicContact CE2-CH2 3.62Å; Y318-W380 HydrophobicContact CE2-CZ2 4.46Å; Y318-W380 HydrophobicContact CE2-CZ3 4.06Å
319V94.9Very high87.1Confident0 Ų040.4 Ų40.40%026%0.255CS..EExtended strand (participates in β ladder)trans-90.7132.3161.2178.40000107.4R330 V331 Y333 L364 V367 A370 L372 Y386 F407V319-R330 CarbonylContact O-C 3.54Å; V319-R330 VanDerWaalsContact O-CA 3.32Å; V319-R330 WeakPolarHBondContact O-CA 3.3Å; V319-V331 PolarHBondContact N-O 3.45Å; V319-V331 PolarHBondContact O-N 2.9Å; V319-Y333 HydrophobicContact CB-CD2 4Å; V319-Y333 HydrophobicContact CB-CE2 3.93Å; V319-Y333 HydrophobicContact CG2-CD2 3.4Å; V319-Y333 VanDerWaalsContact CG2-CD2 3.4Å; V319-Y333 HydrophobicContact CG2-CE2 3.51Å; V319-Y333 HydrophobicContact CG2-CG 4.17Å; V319-L364 HydrophobicContact CB-CD1 4.11Å; V319-L364 HydrophobicContact CG1-CD1 3.63Å; V319-V367 HydrophobicContact CG1-CG2 3.84Å; V319-A370 HydrophobicContact CG1-CB 3.77Å; V319-L372 HydrophobicContact CG2-CD1 3.82Å; V319-Y386 HydrophobicContact CG1-CD2 4.02Å; V319-Y386 HydrophobicContact CG2-CD2 4.1Å; V319-F407 HydrophobicContact CG2-CE1 3.46Å; V319-F407 VanDerWaalsContact CG2-CE1 3.46Å; V319-F407 HydrophobicContact CG2-CZ 3.88Å
320I91.6Very high87.2Confident8 Ų840 Ų404%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-113.9116.3178.4-51.8163.5000107.9L182 A185 I187 Y302 V328 R330 P371 V373L182-I320 HydrophobicContact CD2-CD1 4.12Å; L182-I320 HydrophobicContact CD2-CG1 4.46Å; A185-I320 HydrophobicContact CB-CD1 4.28Å; A185-I320 HydrophobicContact CB-CG2 4.42Å; I187-I320 HydrophobicContact CD1-CB 4.23Å; I187-I320 HydrophobicContact CD1-CG2 3.93Å; I187-I320 HydrophobicContact CG1-CG2 3.82Å; Y302-I320 HydrophobicContact CD2-CD1 4.41Å; Y302-I320 HydrophobicContact CE2-CD1 3.29Å; Y302-I320 VanDerWaalsContact CZ-CD1 3.42Å; Y302-I320 WeakPolarHBondContact OH-CD1 3.4Å; I320-V328 HydrophobicContact CG2-CG1 3.99Å; I320-R330 HydrophobicContact CG1-CB 4.27Å; I320-P371 HydrophobicContact CB-CG 4.36Å; I320-P371 PolarHBondContact N-O 2.92Å; I320-P371 WeakPolarHBondContact O-CD 3.42Å; I320-V373 HydrophobicContact CD1-CG1 4.05Å; I320-V373 HydrophobicContact CD1-CG2 3.69Å; I320-V373 HydrophobicContact CG1-CG2 4.22Å
321G89.2Confident87.4Confident0 Ų037.6 Ų37.60%024%0.235CC..EExtended strand (participates in β ladder)trans-146.1-153.3-17800000110.7V328 T329G321-V328 CarbonylContact O-C 3.52Å; G321-V328 WeakPolarHBondContact O-CA 3.4Å; G321-T329 PolarHBondContact N-O 3.46Å; G321-T329 PolarHBondContact O-N 3Å
322I83Confident87.5Confident4 Ų438.9 Ų38.92%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-114.9130.9-179.1-76.4163000108.4I187 Q189 H326 V328 L364 F365I187-I322 HydrophobicContact CG2-CD1 4.15Å; I187-I322 HydrophobicContact CG2-CG1 4.25Å; Q189-I322 HydrophobicContact CG-CD1 3.38Å; I322-H326 WeakPolarHBondContact CG2-O 3.4Å; I322-V328 HydrophobicContact CG1-CG2 4.29Å; I322-L364 CarbonylContact O-C 3.52Å; I322-L364 WeakPolarHBondContact O-CA 3.5Å; I322-F365 PolarHBondContact O-N 2.88Å
323S84.2Confident87.6Confident12 Ų1234.9 Ų34.98%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-77.8171.3179.456.10000112.8H325 H326 N327 T329 D363S323-H325 PolarHBondContact O-N 3.08Å; S323-H326 VanDerWaalsContact O-CA 3.23Å; S323-H326 WeakPolarHBondContact O-CA 3.16Å; S323-H326 PolarHBondContact O-N 2.88Å; S323-N327 PolarHBondContact N-O 2.81Å; S323-N327 PolarHBondContact OG-N 3.36Å; S323-N327 PolarHBondContact OG-O 3.29Å; S323-T329 WeakPolarHBondContact CB-OG1 2.95Å; S323-T329 PolarHBondContact OG-OG1 2.69Å; S323-D363 WeakPolarHBondContact CA-O 3.49Å
324G77.3Confident87.9Confident55 Ų5535.8 Ų35.857%0.56723%0.226SC*.THydrogen-bonded Turntrans-61.1-22.7169.400000114.1H326G324-H326 PolarHBondContact O-N 2.71Å
325H77.3Confident88.2Confident156 Ų15632.1 Ų32.172%0.72219%0.187SC*.THydrogen-bonded Turntrans-85.913.3168.2-57.1-62.6000112.8S323 N327S323-H325 PolarHBondContact O-N 3.08Å; H325-N327 PolarHBondContact O-N 3.05Å
326H71.1Confident88.3Confident28 Ų2831.3 Ų31.313%0.1318%0.183CC..SBendtrans63.7-9.2177.1-51.1-71.8000116.2A240 M241 I322 S323 G324A240-H326 WeakPolarHBondContact CA-O 3.4Å; A240-H326 VanDerWaalsContact CB-C 3.44Å; A240-H326 HydrophobicContact CB-CB 3.53Å; A240-H326 WeakPolarHBondContact CB-O 3.5Å; A240-H326 PolarHBondContact N-O 2.87Å; M241-H326 WeakPolarHBondContact O-CB 3.43Å; M241-H326 PolarHBondContact O-CD2 3.05Å; M241-H326 PolarHBondContact O-CE1 2.9Å; M241-H326 VanDerWaalsContact O-CE1 3.25Å; M241-H326 PolarHBondContact O-ND1 2.92Å; M241-H326 PolarHBondContact O-NE2 2.81Å; I322-H326 WeakPolarHBondContact CG2-O 3.4Å; S323-H326 VanDerWaalsContact O-CA 3.23Å; S323-H326 WeakPolarHBondContact O-CA 3.16Å; S323-H326 PolarHBondContact O-N 2.88Å; G324-H326 PolarHBondContact O-N 2.71Å
327N76Confident88.5Confident90 Ų9031.3 Ų31.348%0.48118%0.182SC..SBendtrans-62.4145.3171.7-67.4-47.9000112S323 H325 T329S323-N327 PolarHBondContact N-O 2.81Å; S323-N327 PolarHBondContact OG-N 3.36Å; S323-N327 PolarHBondContact OG-O 3.29Å; H325-N327 PolarHBondContact O-N 3.05Å; N327-T329 PolarHBondContact O-N 3.29Å; N327-T329 PolarHBondContact O-OG1 3.46Å
328V80.8Confident88.4Confident26 Ų2636.7 Ų36.716%0.15821%0.207CC..EExtended strand (participates in β ladder)trans-66.9120.5170.1174.80000108.5I150 I187 T239 I320 G321 I322I150-V328 WeakPolarHBondContact CD1-O 3.32Å; I187-V328 HydrophobicContact CB-CG1 4.41Å; I187-V328 HydrophobicContact CB-CG2 4.25Å; I187-V328 HydrophobicContact CG1-CG1 3.93Å; T239-V328 HydrophobicContact CG2-CG2 4.08Å; I320-V328 HydrophobicContact CG2-CG1 3.99Å; G321-V328 CarbonylContact O-C 3.52Å; G321-V328 WeakPolarHBondContact O-CA 3.4Å; I322-V328 HydrophobicContact CG1-CG2 4.29Å
329T85.2Confident88.4Confident35 Ų3541 Ų4122%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-134.7150.7-170.5-64.20000109.8G321 S323 N327G321-T329 PolarHBondContact N-O 3.46Å; G321-T329 PolarHBondContact O-N 3Å; S323-T329 WeakPolarHBondContact CB-OG1 2.95Å; S323-T329 PolarHBondContact OG-OG1 2.69Å; N327-T329 PolarHBondContact O-N 3.29Å; N327-T329 PolarHBondContact O-OG1 3.46Å
330R88.8Confident88.4Confident24 Ų2443 Ų439%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-111.2136.3174.361.9-174.3172.6153.8-21.3111.1H148 K149 L182 Y318 V319 I320H148-R330 VanDerWaalsContact CB-CZ 3.49Å; H148-R330 VanDerWaalsContact O-CZ 3.28Å; H148-R330 PolarHBondContact O-NE 2.91Å; H148-R330 PolarHBondContact O-NH2 2.78Å; H148-R330 VanDerWaalsContact O-NH2 3.13Å; K149-R330 PolarHBondContact O-NH2 2.82Å; L182-R330 VanDerWaalsContact CB-NH1 3.28Å; L182-R330 HydrophobicContact CD2-CB 4.5Å; L182-R330 VanDerWaalsContact CD2-CD 3.43Å; Y318-R330 HydrophobicContact CD1-CB 4.23Å; Y318-R330 HydrophobicContact CD1-CG 4.26Å; V319-R330 CarbonylContact O-C 3.54Å; V319-R330 VanDerWaalsContact O-CA 3.32Å; V319-R330 WeakPolarHBondContact O-CA 3.3Å; I320-R330 HydrophobicContact CG1-CB 4.27Å
331V92.4Very high88.5Confident10 Ų1042.6 Ų42.66%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-117.9128.8175176.50000108.5Y318 V319 Y333 R360 D363 L364Y318-V331 CarbonylContact C-O 3.6Å; Y318-V331 VanDerWaalsContact CA-O 3.26Å; Y318-V331 WeakPolarHBondContact CA-O 3.35Å; V319-V331 PolarHBondContact N-O 3.45Å; V319-V331 PolarHBondContact O-N 2.9Å; V331-Y333 HydrophobicContact CB-CE2 4.17Å; V331-Y333 HydrophobicContact CG1-CD2 4.16Å; V331-Y333 HydrophobicContact CG1-CE2 3.73Å; V331-R360 HydrophobicContact CG1-CB 4.13Å; V331-D363 HydrophobicContact CG2-CB 3.95Å; V331-L364 HydrophobicContact CB-CD1 4.18Å; V331-L364 HydrophobicContact CG2-CD1 3.85Å; V331-L364 HydrophobicContact CG2-CD2 4.02Å; V331-L364 HydrophobicContact CG2-CG 3.7Å
332A93.7Very high88.7Confident33 Ų3343.5 Ų43.527%0.27325%0.245SC..EExtended strand (participates in β ladder)trans-69.9139176.700000110.9Y318Y318-A332 HydrophobicContact CD1-CB 4.08Å; Y318-A332 HydrophobicContact CE1-CB 3.79Å
333Y95.8Very high89.3Confident1 Ų150.3 Ų50.30%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-131.1125.5175.1-88.2-92.4000110.6C317 V319 V331 V358 G361 V405 F407C317-Y333 PolarHBondContact O-N 3.25Å; V319-Y333 HydrophobicContact CB-CD2 4Å; V319-Y333 HydrophobicContact CB-CE2 3.93Å; V319-Y333 HydrophobicContact CG2-CD2 3.4Å; V319-Y333 VanDerWaalsContact CG2-CD2 3.4Å; V319-Y333 HydrophobicContact CG2-CE2 3.51Å; V319-Y333 HydrophobicContact CG2-CG 4.17Å; V331-Y333 HydrophobicContact CB-CE2 4.17Å; V331-Y333 HydrophobicContact CG1-CD2 4.16Å; V331-Y333 HydrophobicContact CG1-CE2 3.73Å; Y333-V358 WeakPolarHBondContact CA-O 3.48Å; Y333-G361 WeakPolarHBondContact OH-CA 3.47Å; Y333-G361 PolarHBondContact OH-N 2.7Å; Y333-V405 HydrophobicContact CE1-CB 3.91Å; Y333-V405 HydrophobicContact CE1-CG2 3.7Å; Y333-F407 HydrophobicContact CD1-CE2 4.01Å; Y333-F407 AromaticContact CD1-CZ 3.6Å; Y333-F407 HydrophobicContact CD1-CZ 3.6Å; Y333-F407 HydrophobicContact CD2-CZ 4.36Å; Y333-F407 HydrophobicContact CE1-CE2 4.46Å; Y333-F407 AromaticContact CE1-CZ 3.85Å; Y333-F407 HydrophobicContact CE1-CZ 3.85Å; Y333-F407 HydrophobicContact CG-CE2 4.48Å; Y333-F407 AromaticContact CG-CZ 3.86Å; Y333-F407 HydrophobicContact CG-CZ 3.86Å
334N95.8Very high89.7Confident74 Ų7451.6 Ų51.640%0.39627%0.274SS..EExtended strand (participates in β ladder)trans-86.7112.7170.7-65.3-6.5000107.6G357 V358N334-G357 CarbonylContact O-C 3.59Å; N334-G357 WeakPolarHBondContact O-CA 3.37Å; N334-V358 PolarHBondContact N-O 2.78Å; N334-V358 PolarHBondContact O-N 2.76Å
335L97.1Very high90.4Very high6 Ų649.6 Ų49.63%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-69.3141.5173.4-66-175.9000109.9A311 P313 Y355 L372 F407A311-L335 HydrophobicContact CB-CD1 3.47Å; A311-L335 VanDerWaalsContact CB-CD1 3.47Å; P313-L335 VanDerWaalsContact CA-O 3.27Å; P313-L335 WeakPolarHBondContact CA-O 3.47Å; P313-L335 VanDerWaalsContact CB-O 3.31Å; P313-L335 WeakPolarHBondContact CB-O 3.32Å; L335-Y355 HydrophobicContact CD1-CD1 4.49Å; L335-L372 HydrophobicContact CD2-CD2 4.01Å; L335-F407 HydrophobicContact CD2-CD2 4.2Å; L335-F407 HydrophobicContact CD2-CE2 4.26Å
336L96.5Very high90.9Very high27 Ų2747.1 Ų47.114%0.14124%0.242CC..PPolyproline II helixtrans-97.5150.9179.1-58.4-174.7000111.5E340 C356 V358 L404L336-E340 HydrophobicContact CB-CB 4.37Å; L336-E340 HydrophobicContact CD1-CG 4.14Å; L336-C356 PolarHBondContact N-O 2.89Å; L336-V358 HydrophobicContact CD1-CG2 3.9Å; L336-V358 HydrophobicContact CD2-CG2 4.13Å; L336-V358 HydrophobicContact CG-CG2 4.15Å; L336-L404 HydrophobicContact CD1-CD1 3.59Å
337P96.1Very high91.4Very high49 Ų4954.5 Ų54.532%0.31827%0.27SS..PPolyproline II helixtrans-54.7145.1168.2-26.536.5000112.2P313 N339 E340 C341P313-P337 HydrophobicContact CB-CG 4.07Å; P313-P337 HydrophobicContact CG-CB 4.23Å; P313-P337 HydrophobicContact CG-CG 3.86Å; P337-N339 VanDerWaalsContact C-N 3.26Å; P337-N339 WeakPolarHBondContact CB-OD1 3.31Å; P337-N339 PolarHBondContact O-N 2.03Å; P337-E340 HydrophobicContact CB-CB 4.41Å; P337-E340 WeakPolarHBondContact O-CA 3.38Å; P337-E340 WeakPolarHBondContact O-CB 3.36Å; P337-E340 PolarHBondContact O-N 2.91Å; P337-C341 PolarHBondContact O-N 3.03Å
338Q94.3Very high91.7Very high116 Ų11653.9 Ų53.954%0.54227%0.265SS..Hα-helixtrans-58.3-35.8-174.7-62.4-178.113.900113.4E340 C341 A342 Y349 P351Q338-E340 VanDerWaalsContact C-N 3.35Å; Q338-C341 PolarHBondContact O-N 3.28Å; Q338-A342 WeakPolarHBondContact O-CB 3.47Å; Q338-A342 PolarHBondContact O-N 3.09Å; Q338-Y349 HydrophobicContact CB-CE1 4.15Å; Q338-Y349 HydrophobicContact CG-CE1 4.48Å; Q338-P351 HydrophobicContact CB-CB 4.44Å; Q338-P351 HydrophobicContact CG-CB 4.15Å; Q338-P351 VanDerWaalsContact OE1-CB 3.3Å
339N94.5Very high91.9Very high106 Ų10653.5 Ų53.557%0.56726%0.26SS*.Hα-helixtrans-70.6-27.6174.962.4-20.9000112.9P337 R343P337-N339 VanDerWaalsContact C-N 3.26Å; P337-N339 WeakPolarHBondContact CB-OD1 3.31Å; P337-N339 PolarHBondContact O-N 2.03Å; N339-R343 WeakPolarHBondContact O-CB 3.31Å; N339-R343 VanDerWaalsContact O-CG 3.26Å; N339-R343 WeakPolarHBondContact O-CG 3.37Å; N339-R343 PolarHBondContact O-N 2.96Å; N339-R343 PolarHBondContact O-NE 2.82Å
340E95.4Very high91.9Very high42 Ų4255.4 Ų55.420%0.19626%0.264CS..Hα-helixtrans-76-42.6170.5-168.7177.1164.600111.3L336 P337 Q338 A342 R343 R344L336-E340 HydrophobicContact CB-CB 4.37Å; L336-E340 HydrophobicContact CD1-CG 4.14Å; P337-E340 HydrophobicContact CB-CB 4.41Å; P337-E340 WeakPolarHBondContact O-CA 3.38Å; P337-E340 WeakPolarHBondContact O-CB 3.36Å; P337-E340 PolarHBondContact O-N 2.91Å; Q338-E340 VanDerWaalsContact C-N 3.35Å; E340-A342 PolarHBondContact O-N 3.32Å; E340-R343 PolarHBondContact O-N 2.87Å; E340-R344 HydrophobicContact CG-CG 4.29Å; E340-R344 WeakPolarHBondContact O-CB 3.38Å; E340-R344 WeakPolarHBondContact O-CG 3.24Å; E340-R344 PolarHBondContact O-N 2.97Å; E340-R344 IonicContact OE1-CZ 2.76Å; E340-R344 IonicContact OE1-NE 3.5Å; E340-R344 PolarHBondContact OE1-NE 3Å; E340-R344 IonicContact OE1-NH2 2.73Å; E340-R344 PolarHBondContact OE1-NH2 2.82Å
341C94.6Very high91.8Very high0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-53.4-53.1171-66.80000111.2P337 Q338 R343 R344 L345 Y349 C356P337-C341 PolarHBondContact O-N 3.03Å; Q338-C341 PolarHBondContact O-N 3.28Å; C341-R343 PolarHBondContact O-N 2.8Å; C341-R344 PolarHBondContact O-N 3.13Å; C341-L345 HydrophobicContact CB-CD1 4.32Å; C341-L345 VanDerWaalsContact O-CB 3.24Å; C341-L345 WeakPolarHBondContact O-CB 3.07Å; C341-L345 WeakPolarHBondContact O-CD1 3.38Å; C341-L345 VanDerWaalsContact O-CG 3.28Å; C341-L345 WeakPolarHBondContact O-CG 3.18Å; C341-L345 PolarHBondContact O-N 3.47Å; C341-Y349 HydrophobicContact CB-CD1 3.53Å; C341-Y349 HydrophobicContact CB-CD2 3.97Å; C341-Y349 HydrophobicContact CB-CE1 3.4Å; C341-Y349 HydrophobicContact CB-CE2 3.85Å; C341-Y349 HydrophobicContact CB-CG 3.81Å; C341-C356 WeakPolarHBondContact CA-SG 3.39Å; C341-C356 HydrophobicContact CB-CB 3.91Å; C341-C356 WeakPolarHBondContact CB-SG 3.41Å; C341-C356 WeakPolarHBondContact SG-CB 3.13Å; C341-C356 CovalentContact SG-SG 2.03Å; C341-C356 PolarHBondContact SG-SG 2.93Å
342A93.2Very high91.3Very high19 Ų1961.9 Ų61.916%0.15730%0.302CS..Hα-helixtrans-57-47.4178.600000112.4Q338 E340 L345 N346 Y347 Y349Q338-A342 WeakPolarHBondContact O-CB 3.47Å; Q338-A342 PolarHBondContact O-N 3.09Å; E340-A342 PolarHBondContact O-N 3.32Å; A342-L345 PolarHBondContact O-N 3.45Å; A342-N346 PolarHBondContact O-N 3.12Å; A342-Y347 HydrophobicContact CB-CD1 3.99Å; A342-Y347 HydrophobicContact CB-CE1 4.29Å; A342-Y347 WeakPolarHBondContact O-CA 2.99Å; A342-Y347 PolarHBondContact O-N 3.23Å; A342-Y349 HydrophobicContact CB-CD1 4.34Å
343R94.4Very high90.9Very high147 Ų14764.2 Ų64.256%0.55531%0.307SS*.Hα-helixtrans-63.8-41.3177.7-73.5-177.8-56.3156.97.2113.1N339 E340 C341 L345N339-R343 WeakPolarHBondContact O-CB 3.31Å; N339-R343 VanDerWaalsContact O-CG 3.26Å; N339-R343 WeakPolarHBondContact O-CG 3.37Å; N339-R343 PolarHBondContact O-N 2.96Å; N339-R343 PolarHBondContact O-NE 2.82Å; E340-R343 PolarHBondContact O-N 2.87Å; C341-R343 PolarHBondContact O-N 2.8Å; R343-L345 VanDerWaalsContact C-N 3.34Å
344R94.3Very high90.7Very high39 Ų3964.3 Ų64.315%0.14731%0.307CS..Hα-helixtrans-71.4-30179.3-71.6-174.6-177.2-82.93.5112.5E340 C341 A393 N394 T396 L404E340-R344 HydrophobicContact CG-CG 4.29Å; E340-R344 WeakPolarHBondContact O-CB 3.38Å; E340-R344 WeakPolarHBondContact O-CG 3.24Å; E340-R344 PolarHBondContact O-N 2.97Å; E340-R344 IonicContact OE1-CZ 2.76Å; E340-R344 IonicContact OE1-NE 3.5Å; E340-R344 PolarHBondContact OE1-NE 3Å; E340-R344 IonicContact OE1-NH2 2.73Å; E340-R344 PolarHBondContact OE1-NH2 2.82Å; C341-R344 PolarHBondContact O-N 3.13Å; R344-A393 CarbonylContact O-C 3.55Å; R344-A393 WeakPolarHBondContact O-CA 3.22Å; R344-A393 WeakPolarHBondContact O-CB 3.05Å; R344-N394 PolarHBondContact NH1-O 3.42Å; R344-N394 VanDerWaalsContact NH1-O 3.12Å; R344-N394 PolarHBondContact O-N 2.9Å; R344-T396 PolarHBondContact NH1-O 2.8Å; R344-L404 HydrophobicContact CB-CD2 3.92Å
345L90.4Very high90.6Very high14 Ų1461.7 Ų61.77%0.07329%0.292CS..THydrogen-bonded Turntrans-97.417.3-177.4-64.1164000112.9C341 A342 R343 Y347 E348 Y349 C356 A390 A393 L404 L406C341-L345 HydrophobicContact CB-CD1 4.32Å; C341-L345 VanDerWaalsContact O-CB 3.24Å; C341-L345 WeakPolarHBondContact O-CB 3.07Å; C341-L345 WeakPolarHBondContact O-CD1 3.38Å; C341-L345 VanDerWaalsContact O-CG 3.28Å; C341-L345 WeakPolarHBondContact O-CG 3.18Å; C341-L345 PolarHBondContact O-N 3.47Å; A342-L345 PolarHBondContact O-N 3.45Å; R343-L345 VanDerWaalsContact C-N 3.34Å; L345-Y347 PolarHBondContact O-N 3.03Å; L345-Y347 VanDerWaalsContact O-N 3.13Å; L345-E348 WeakPolarHBondContact O-CB 3.46Å; L345-E348 PolarHBondContact O-N 3.47Å; L345-Y349 HydrophobicContact CD1-CD2 3.64Å; L345-Y349 HydrophobicContact CD1-CG 3.9Å; L345-C356 HydrophobicContact CD1-CB 4.24Å; L345-A390 HydrophobicContact CD2-CB 3.5Å; L345-A390 VanDerWaalsContact CD2-CB 3.5Å; L345-A393 HydrophobicContact CD2-CB 4.02Å; L345-L404 HydrophobicContact CD2-CD2 3.9Å; L345-L404 HydrophobicContact CG-CD2 4.13Å; L345-L406 HydrophobicContact CD1-CD2 3.72Å
346N88Confident90.6Very high104 Ų10461.4 Ų61.456%0.55629%0.29SS*.THydrogen-bonded Turntrans52.235.3-178.8-53.4-48.2000113.6A342 E348 H392A342-N346 PolarHBondContact O-N 3.12Å; N346-E348 PolarHBondContact O-N 3.08Å; N346-H392 PolarHBondContact ND2-O 2.92Å
347Y82.8Confident90.6Very high182 Ų18260.1 Ų60.171%0.71428%0.284SS*.THydrogen-bonded Turntrans66.45.8-173.8-54-87.1000116.1A342 L345 Y349A342-Y347 HydrophobicContact CB-CD1 3.99Å; A342-Y347 HydrophobicContact CB-CE1 4.29Å; A342-Y347 WeakPolarHBondContact O-CA 2.99Å; A342-Y347 PolarHBondContact O-N 3.23Å; L345-Y347 PolarHBondContact O-N 3.03Å; L345-Y347 VanDerWaalsContact O-N 3.13Å; Y347-Y349 PolarHBondContact O-N 3.06Å
348E81.8Confident90.5Very high78 Ų7858.2 Ų58.236%0.36427%0.271SS..  trans-8056.9167.9-57.4-172-17800111.1L274 G275 L345 N346L274-E348 HydrophobicContact CD2-CB 4.23Å; G275-E348 WeakPolarHBondContact CA-OE1 3.47Å; G275-E348 PolarHBondContact N-OE1 3.15Å; G275-E348 VanDerWaalsContact N-OE1 3.13Å; G275-E348 PolarHBondContact N-OE2 3.16Å; L345-E348 WeakPolarHBondContact O-CB 3.46Å; L345-E348 PolarHBondContact O-N 3.47Å; N346-E348 PolarHBondContact O-N 3.08Å
349Y84.7Confident90.5Very high17 Ų1752.9 Ų52.97%0.06725%0.247CC..  trans-138128.8-177.2174.2-116.7000111.2Q338 C341 A342 L345 Y347 P351 Q354 C356 L406Q338-Y349 HydrophobicContact CB-CE1 4.15Å; Q338-Y349 HydrophobicContact CG-CE1 4.48Å; C341-Y349 HydrophobicContact CB-CD1 3.53Å; C341-Y349 HydrophobicContact CB-CD2 3.97Å; C341-Y349 HydrophobicContact CB-CE1 3.4Å; C341-Y349 HydrophobicContact CB-CE2 3.85Å; C341-Y349 HydrophobicContact CB-CG 3.81Å; A342-Y349 HydrophobicContact CB-CD1 4.34Å; L345-Y349 HydrophobicContact CD1-CD2 3.64Å; L345-Y349 HydrophobicContact CD1-CG 3.9Å; Y347-Y349 PolarHBondContact O-N 3.06Å; Y349-P351 HydrophobicContact CD1-CB 4.43Å; Y349-P351 HydrophobicContact CE1-CB 3.73Å; Y349-P351 HydrophobicContact CE1-CG 4.34Å; Y349-P351 WeakPolarHBondContact O-CD 3.38Å; Y349-Q354 HydrophobicContact CD2-CB 4.28Å; Y349-Q354 HydrophobicContact CE2-CB 3.82Å; Y349-Q354 PolarHBondContact OH-O 3.19Å; Y349-C356 HydrophobicContact CE2-CB 4.29Å; Y349-L406 HydrophobicContact CD2-CD2 4.19Å
350Y85.9Confident90.2Very high76 Ų7653.1 Ų53.130%0.29824%0.24SC..  trans-109.186.6-176.7-67.7-80.3000111.5L272 R273 N352 F353 Q354L272-Y350 HydrophobicContact CB-CD2 4.11Å; L272-Y350 HydrophobicContact CB-CE2 4.02Å; L272-Y350 HydrophobicContact CD1-CD2 4.1Å; L272-Y350 HydrophobicContact CD2-CD1 4.49Å; L272-Y350 HydrophobicContact CD2-CD2 3.94Å; L272-Y350 HydrophobicContact CD2-CE2 4.36Å; L272-Y350 HydrophobicContact CD2-CG 4Å; L272-Y350 HydrophobicContact CG-CD2 4.27Å; R273-Y350 PolarHBondContact O-OH 3.31Å; Y350-N352 PolarHBondContact O-N 3Å; Y350-F353 PolarHBondContact O-N 2.85Å; Y350-Q354 PolarHBondContact O-N 2.79Å
351P86.3Confident89.1Confident37 Ų3751.4 Ų51.424%0.2423%0.233CC..THydrogen-bonded Turntrans-60.2-21.2-173.922.4-33.9000114.5Q338 Y349 F353 K409Q338-P351 HydrophobicContact CB-CB 4.44Å; Q338-P351 HydrophobicContact CG-CB 4.15Å; Q338-P351 VanDerWaalsContact OE1-CB 3.3Å; Y349-P351 HydrophobicContact CD1-CB 4.43Å; Y349-P351 HydrophobicContact CE1-CB 3.73Å; Y349-P351 HydrophobicContact CE1-CG 4.34Å; Y349-P351 WeakPolarHBondContact O-CD 3.38Å; P351-F353 VanDerWaalsContact C-N 3.34Å; P351-K409 WeakPolarHBondContact O-CE 3.3Å; P351-K409 PolarHBondContact O-NZ 2.89Å
352N82.4Confident88.4Confident133 Ų13358.1 Ų58.171%0.71126%0.262SS*.THydrogen-bonded Turntrans-72.9-26.7176-67-12.2000112.7Y350Y350-N352 PolarHBondContact O-N 3Å
353F85.1Confident87.9Confident82 Ų8261 Ų6136%0.3628%0.276SS..THydrogen-bonded Turntrans-117.4-21.2-174.5-53.3-58.8000113.2L270 L272 Y350 P351 M408 K409L270-F353 HydrophobicContact CD1-CB 4.33Å; L270-F353 HydrophobicContact CD1-CD1 3.71Å; L270-F353 HydrophobicContact CD1-CE1 4.29Å; L270-F353 HydrophobicContact CD1-CG 4.11Å; L272-F353 HydrophobicContact CD2-CD2 3.87Å; Y350-F353 PolarHBondContact O-N 2.85Å; P351-F353 VanDerWaalsContact C-N 3.34Å; F353-M408 HydrophobicContact CB-CE 4.19Å; F353-M408 HydrophobicContact CB-SD 4.21Å; F353-K409 WeakPolarHBondContact O-CB 3.45Å; F353-K409 WeakPolarHBondContact O-CG 3.45Å; F353-K409 PolarHBondContact O-N 3.32Å
354Q90.2Very high87.6Confident2 Ų254.6 Ų54.61%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-123.4149-173.2-66.1171.2-43.600112L272 Y349 Y350 F407 M408 K409L272-Q354 HydrophobicContact CD1-CG 4.16Å; Y349-Q354 HydrophobicContact CD2-CB 4.28Å; Y349-Q354 HydrophobicContact CE2-CB 3.82Å; Y349-Q354 PolarHBondContact OH-O 3.19Å; Y350-Q354 PolarHBondContact O-N 2.79Å; Q354-F407 CarbonylContact C-O 3.48Å; Q354-F407 WeakPolarHBondContact CA-O 3.06Å; Q354-M408 HydrophobicContact CG-CE 4.36Å; Q354-K409 VanDerWaalsContact O-CE 3.31Å; Q354-K409 WeakPolarHBondContact O-CE 3.18Å
355Y95.2Very high87.1Confident19 Ų1956.1 Ų56.18%0.07526%0.26CS..EExtended strand (participates in β ladder)trans-102.1159.9149.9-57.1-75.3000108.4S310 A311 L335 V383 A384 F407 K409S310-Y355 WeakPolarHBondContact CA-OH 3.27Å; A311-Y355 HydrophobicContact CB-CE1 4Å; A311-Y355 HydrophobicContact CB-CE2 4.26Å; A311-Y355 PolarHBondContact N-OH 3.49Å; A311-Y355 WeakPolarHBondContact O-CE1 3.36Å; L335-Y355 HydrophobicContact CD1-CD1 4.49Å; Y355-V383 HydrophobicContact CE2-CB 4.25Å; Y355-V383 HydrophobicContact CE2-CG2 4.21Å; Y355-A384 HydrophobicContact CD2-CB 4.06Å; Y355-A384 HydrophobicContact CE2-CB 4.35Å; Y355-F407 PolarHBondContact N-O 2.93Å; Y355-F407 PolarHBondContact O-N 3.02Å; Y355-K409 HydrophobicContact CD2-CG 3.83Å; Y355-K409 VanDerWaalsContact CE1-CE 3.46Å; Y355-K409 HydrophobicContact CE2-CD 4.19Å; Y355-K409 HydrophobicContact CE2-CG 3.57Å; Y355-K409 VanDerWaalsContact CZ-CE 3.48Å
356C95.6Very high86.9Confident1 Ų156.8 Ų56.81%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-122.3153.3159.591.30000110.4L336 C341 L345 Y349 V405 L406L336-C356 PolarHBondContact N-O 2.89Å; C341-C356 WeakPolarHBondContact CA-SG 3.39Å; C341-C356 HydrophobicContact CB-CB 3.91Å; C341-C356 WeakPolarHBondContact CB-SG 3.41Å; C341-C356 WeakPolarHBondContact SG-CB 3.13Å; C341-C356 CovalentContact SG-SG 2.03Å; C341-C356 PolarHBondContact SG-SG 2.93Å; L345-C356 HydrophobicContact CD1-CB 4.24Å; Y349-C356 HydrophobicContact CE2-CB 4.29Å; C356-V405 VanDerWaalsContact CA-O 3.24Å; C356-V405 WeakPolarHBondContact CA-O 3.49Å; C356-L406 HydrophobicContact CB-CD2 4.23Å
357G96.4Very high87.1Confident0 Ų052.6 Ų52.60%024%0.242CC..EExtended strand (participates in β ladder)trans-158.6168.1179.500000113N334 V405N334-G357 CarbonylContact O-C 3.59Å; N334-G357 WeakPolarHBondContact O-CA 3.37Å; G357-V405 PolarHBondContact N-O 3.46Å; G357-V405 PolarHBondContact O-N 2.81Å
358V95.9Very high87.6Confident9 Ų945.6 Ų45.66%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-119.2130.8-177.4178.40000109.8Y333 N334 L336 I398 N402 T403 L404Y333-V358 WeakPolarHBondContact CA-O 3.48Å; N334-V358 PolarHBondContact N-O 2.78Å; N334-V358 PolarHBondContact O-N 2.76Å; L336-V358 HydrophobicContact CD1-CG2 3.9Å; L336-V358 HydrophobicContact CD2-CG2 4.13Å; L336-V358 HydrophobicContact CG-CG2 4.15Å; V358-I398 HydrophobicContact CG1-CG2 3.76Å; V358-I398 HydrophobicContact CG2-CD1 3.94Å; V358-I398 HydrophobicContact CG2-CG1 4.37Å; V358-N402 HydrophobicContact CG1-CB 3.71Å; V358-T403 WeakPolarHBondContact CA-O 3.32Å; V358-L404 HydrophobicContact CG2-CD1 3.7Å
359G93.3Very high88.2Confident3 Ų341.9 Ų41.93%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-173175.8179.600000112.5G361 N402 T403G359-G361 VanDerWaalsContact C-N 3.3Å; G359-G361 PolarHBondContact O-N 2.92Å; G359-N402 WeakPolarHBondContact O-CA 3.48Å; G359-T403 PolarHBondContact N-O 3.44Å; G359-T403 PolarHBondContact O-N 2.71Å; G359-T403 PolarHBondContact O-OG1 3.31Å
360R88.5Confident88.6Confident111 Ų11141 Ų4142%0.41920%0.197SC..  trans-82.166.8-176.3-65.2-176.2-175.21692.1112.4V331 K362 D363 N402V331-R360 HydrophobicContact CG1-CB 4.13Å; R360-K362 PolarHBondContact O-N 3.17Å; R360-D363 WeakPolarHBondContact CB-OD2 3.16Å; R360-D363 PolarHBondContact O-N 3.41Å; R360-D363 VanDerWaalsContact O-N 3.17Å; R360-N402 WeakPolarHBondContact CG-OD1 3.29Å
361G72.6Confident89.1Confident6 Ų637.4 Ų37.46%0.06218%0.183CC..G310 helixtrans-62.8-16.6-174.100000115.8Y333 G359 D363Y333-G361 WeakPolarHBondContact OH-CA 3.47Å; Y333-G361 PolarHBondContact OH-N 2.7Å; G359-G361 VanDerWaalsContact C-N 3.3Å; G359-G361 PolarHBondContact O-N 2.92Å; G361-D363 PolarHBondContact O-N 3.48Å
362K79.8Confident89.6Confident141 Ų14135.7 Ų35.761%0.61317%0.172SC*.G310 helixtrans-70-18.3177.4-61.5175-173.6164.90113.1R360 L364R360-K362 PolarHBondContact O-N 3.17Å; K362-L364 PolarHBondContact O-N 3.22Å
363D83.1Confident90.2Very high81 Ų8129.3 Ų29.343%0.43314%0.138SC..G310 helixtrans-76.4-9.9-177.6-60.2-12.8000112.8S323 V331 R360 G361S323-D363 WeakPolarHBondContact CA-O 3.49Å; V331-D363 HydrophobicContact CG2-CB 3.95Å; R360-D363 WeakPolarHBondContact CB-OD2 3.16Å; R360-D363 PolarHBondContact O-N 3.41Å; R360-D363 VanDerWaalsContact O-N 3.17Å; G361-D363 PolarHBondContact O-N 3.48Å
364L88.2Confident90.7Very high12 Ų1225.4 Ų25.46%0.06312%0.121CC..EExtended strand (participates in β ladder)trans-116.8126.8-176.5-62.2177.7000112.3V319 I322 V331 K362 V367V319-L364 HydrophobicContact CB-CD1 4.11Å; V319-L364 HydrophobicContact CG1-CD1 3.63Å; I322-L364 CarbonylContact O-C 3.52Å; I322-L364 WeakPolarHBondContact O-CA 3.5Å; V331-L364 HydrophobicContact CB-CD1 4.18Å; V331-L364 HydrophobicContact CG2-CD1 3.85Å; V331-L364 HydrophobicContact CG2-CD2 4.02Å; V331-L364 HydrophobicContact CG2-CG 3.7Å; K362-L364 PolarHBondContact O-N 3.22Å; L364-V367 HydrophobicContact CB-CB 3.82Å; L364-V367 HydrophobicContact CB-CG2 3.76Å; L364-V367 HydrophobicContact CD1-CG2 3.67Å; L364-V367 HydrophobicContact CG-CG2 4.38Å
365F83.6Confident90.8Very high71 Ų7127.2 Ų27.231%0.31113%0.13SC..EExtended strand (participates in β ladder)trans-84.2139.2174.4-178-110.9000110.8I322 V367I322-F365 PolarHBondContact O-N 2.88Å; F365-V367 PolarHBondContact O-N 3.38Å; F365-V367 VanDerWaalsContact O-N 3.11Å
366N86.2Confident90.6Very high28 Ų2826.5 Ų26.515%0.1513%0.128CC..THydrogen-bonded Turntrans49.538.6176.1-69.3-2.2000113.9E199 G201 C202 T203 T368E199-N366 PolarHBondContact O-OD1 2.9Å; G201-N366 VanDerWaalsContact CA-ND2 3.3Å; G201-N366 WeakPolarHBondContact CA-ND2 3.38Å; G201-N366 PolarHBondContact N-ND2 3.3Å; G201-N366 VanDerWaalsContact N-ND2 3.18Å; G201-N366 VanDerWaalsContact O-CB 3.28Å; G201-N366 WeakPolarHBondContact O-CB 3.25Å; C202-N366 CarbonylContact C-O 3.59Å; T203-N366 PolarHBondContact N-O 3.23Å; T203-N366 PolarHBondContact OG1-O 2.87Å; N366-T368 VanDerWaalsContact C-N 3.28Å; N366-T368 PolarHBondContact O-N 3.26Å
367V92.2Very high90.2Very high15 Ų1534.1 Ų34.19%0.09116%0.163CC..  trans-68.7-18.3-166.766.10000114.5V319 L364 F365 G369 A370 Y386V319-V367 HydrophobicContact CG1-CG2 3.84Å; L364-V367 HydrophobicContact CB-CB 3.82Å; L364-V367 HydrophobicContact CB-CG2 3.76Å; L364-V367 HydrophobicContact CD1-CG2 3.67Å; L364-V367 HydrophobicContact CG-CG2 4.38Å; F365-V367 PolarHBondContact O-N 3.38Å; F365-V367 VanDerWaalsContact O-N 3.11Å; V367-G369 PolarHBondContact O-N 3.41Å; V367-A370 HydrophobicContact CG2-CB 3.94Å; V367-A370 WeakPolarHBondContact O-CB 3.43Å; V367-A370 PolarHBondContact O-N 2.96Å; V367-Y386 HydrophobicContact CG1-CD1 3.86Å; V367-Y386 HydrophobicContact CG1-CD2 4.31Å; V367-Y386 HydrophobicContact CG1-CE1 3.5Å; V367-Y386 VanDerWaalsContact CG1-CE1 3.5Å; V367-Y386 HydrophobicContact CG1-CE2 3.95Å; V367-Y386 HydrophobicContact CG1-CG 4.27Å; V367-Y386 HydrophobicContact CG2-CD1 4.26Å; V367-Y386 HydrophobicContact CG2-CD2 3.55Å; V367-Y386 HydrophobicContact CG2-CE1 4.49Å; V367-Y386 HydrophobicContact CG2-CE2 3.79Å; V367-Y386 HydrophobicContact CG2-CG 3.81Å; V367-Y386 WeakPolarHBondContact O-CB 2.99Å
368T92.1Very high89.7Confident35 Ų3545.3 Ų45.322%0.21521%0.205CC..THydrogen-bonded Turntrans-52.9128.4174.7-51.20000110.8C202 T203 F221 N366 A370C202-T368 WeakPolarHBondContact CB-O 3.23Å; T203-T368 PolarHBondContact N-O 3.19Å; F221-T368 HydrophobicContact CD1-CG2 3.95Å; N366-T368 VanDerWaalsContact C-N 3.28Å; N366-T368 PolarHBondContact O-N 3.26Å; T368-A370 VanDerWaalsContact C-N 3.33Å
369G94.1Very high89.4Confident0 Ų051.4 Ų51.40%023%0.231CC..THydrogen-bonded Turntrans85-6-174.700000115.8T203 V367 F385 Y386T203-G369 CarbonylContact O-C 3.53Å; T203-G369 VanDerWaalsContact O-CA 3.3Å; T203-G369 WeakPolarHBondContact O-CA 3.33Å; V367-G369 PolarHBondContact O-N 3.41Å; G369-F385 WeakPolarHBondContact O-CD1 3.37Å; G369-Y386 PolarHBondContact N-O 3.23Å
370A94.5Very high89.2Confident0 Ų052.9 Ų52.90%024%0.235CC..PPolyproline II helixtrans-60.9141.6173.500000111.7T203 V319 V367 T368 L372 F385 Y386T203-A370 HydrophobicContact CG2-CB 3.77Å; V319-A370 HydrophobicContact CG1-CB 3.77Å; V367-A370 HydrophobicContact CG2-CB 3.94Å; V367-A370 WeakPolarHBondContact O-CB 3.43Å; V367-A370 PolarHBondContact O-N 2.96Å; T368-A370 VanDerWaalsContact C-N 3.33Å; A370-L372 PolarHBondContact O-N 3.18Å; A370-F385 CarbonylContact O-C 3.47Å; A370-F385 WeakPolarHBondContact O-CA 3.45Å; A370-Y386 PolarHBondContact O-N 3.02Å
371P95.5Very high89.4Confident0 Ų048.3 Ų48.30%022%0.219CC..EExtended strand (participates in β ladder)trans-66.7129.4175.528.7-37.1000111.5I187 I205 I320 V373 Q382I187-P371 HydrophobicContact CD1-CG 3.75Å; I205-P371 HydrophobicContact CB-CG 4.14Å; I205-P371 HydrophobicContact CD1-CB 4.45Å; I205-P371 HydrophobicContact CD1-CG 4.11Å; I205-P371 HydrophobicContact CG2-CB 4.27Å; I205-P371 HydrophobicContact CG2-CG 4.33Å; I320-P371 HydrophobicContact CB-CG 4.36Å; I320-P371 PolarHBondContact N-O 2.92Å; I320-P371 WeakPolarHBondContact O-CD 3.42Å; P371-V373 HydrophobicContact CB-CG1 4.3Å; P371-Q382 HydrophobicContact CB-CG 3.85Å
372L96.4Very high90.5Very high0 Ų048.2 Ų48.20%022%0.216CC..EExtended strand (participates in β ladder)trans-86.2122.3156.9179.271.6000107.9C317 V319 L335 A370 Q382 V383 A384 F407C317-L372 HydrophobicContact CB-CD1 4.12Å; V319-L372 HydrophobicContact CG2-CD1 3.82Å; L335-L372 HydrophobicContact CD2-CD2 4.01Å; A370-L372 PolarHBondContact O-N 3.18Å; L372-Q382 WeakPolarHBondContact O-CA 3.45Å; L372-V383 HydrophobicContact CB-CG2 4.35Å; L372-V383 HydrophobicContact CD2-CG2 3.74Å; L372-V383 HydrophobicContact CG-CG2 3.9Å; L372-V383 PolarHBondContact O-N 2.97Å; L372-A384 HydrophobicContact CB-CB 4.11Å; L372-A384 HydrophobicContact CD2-CB 4.15Å; L372-A384 PolarHBondContact N-O 3.29Å; L372-F407 HydrophobicContact CB-CD1 3.92Å; L372-F407 HydrophobicContact CB-CE1 4.28Å; L372-F407 HydrophobicContact CD1-CD1 4.33Å; L372-F407 HydrophobicContact CD1-CE1 4.02Å; L372-F407 HydrophobicContact CD1-CZ 4.19Å; L372-F407 HydrophobicContact CD2-CB 4.1Å; L372-F407 HydrophobicContact CD2-CD1 3.93Å; L372-F407 HydrophobicContact CD2-CD2 4.07Å; L372-F407 HydrophobicContact CD2-CE1 4.38Å; L372-F407 HydrophobicContact CD2-CE2 4.49Å; L372-F407 HydrophobicContact CD2-CG 3.76Å; L372-F407 HydrophobicContact CG-CD1 4.27Å; L372-F407 HydrophobicContact CG-CE1 4.46Å
373V95.4Very high91.2Very high0 Ų041.5 Ų41.50%019%0.188CC..EExtended strand (participates in β ladder)trans-115142.1176.2-55.50000110.8L182 Y302 C317 Y318 I320 P371 W380 K381 Q382L182-V373 HydrophobicContact CD1-CG2 4.06Å; L182-V373 HydrophobicContact CD2-CG2 4.49Å; Y302-V373 HydrophobicContact CD1-CB 4.45Å; Y302-V373 HydrophobicContact CD1-CG1 4.11Å; Y302-V373 HydrophobicContact CD2-CG1 3.44Å; Y302-V373 VanDerWaalsContact CD2-CG1 3.44Å; Y302-V373 HydrophobicContact CE1-CG1 4.32Å; Y302-V373 HydrophobicContact CE1-CG2 4.47Å; Y302-V373 HydrophobicContact CE2-CG1 3.69Å; Y302-V373 HydrophobicContact CG-CB 4.45Å; Y302-V373 HydrophobicContact CG-CG1 3.67Å; C317-V373 CarbonylContact C-O 3.55Å; C317-V373 WeakPolarHBondContact CA-O 3.24Å; Y318-V373 PolarHBondContact N-O 3.44Å; Y318-V373 WeakPolarHBondContact O-CG2 3.34Å; Y318-V373 PolarHBondContact O-N 3.28Å; I320-V373 HydrophobicContact CD1-CG1 4.05Å; I320-V373 HydrophobicContact CD1-CG2 3.69Å; I320-V373 HydrophobicContact CG1-CG2 4.22Å; P371-V373 HydrophobicContact CB-CG1 4.3Å; V373-W380 HydrophobicContact CG2-CE3 4.46Å; V373-K381 CarbonylContact C-O 3.59Å; V373-K381 WeakPolarHBondContact CA-O 3.16Å; V373-Q382 HydrophobicContact CG1-CB 4.3Å
374C95.4Very high91.8Very high0 Ų037.7 Ų37.70%017%0.167CC..EExtended strand (participates in β ladder)trans-132.8153178.6-63.90000110.8A311 S316 C317 I376 K381 V383A311-C374 HydrophobicContact CB-CB 4.33Å; S316-C374 WeakPolarHBondContact O-CA 3.14Å; C317-C374 HydrophobicContact CB-CB 4.16Å; C317-C374 WeakPolarHBondContact CB-SG 3.1Å; C317-C374 WeakPolarHBondContact SG-CB 3.07Å; C317-C374 CovalentContact SG-SG 2.04Å; C317-C374 PolarHBondContact SG-SG 3.28Å; C374-I376 HydrophobicContact CB-CG1 4.38Å; C374-I376 PolarHBondContact O-N 2.79Å; C374-K381 PolarHBondContact N-O 3.2Å; C374-K381 PolarHBondContact O-N 3.36Å; C374-V383 HydrophobicContact CB-CG1 4.11Å; C374-V383 HydrophobicContact CB-CG2 4.38Å
375N92.3Very high92.1Very high40 Ų4037.1 Ų37.121%0.21416%0.164CC..EExtended strand (participates in β ladder)trans-80.397.8172.1-171.9-7.2000109.9S316 R378 K379 W380S316-N375 PolarHBondContact O-N 2.67Å; N375-R378 WeakPolarHBondContact OD1-CA 3.42Å; N375-R378 PolarHBondContact OD1-N 3.43Å; N375-K379 PolarHBondContact OD1-N 2.8Å; N375-W380 HydrophobicContact CB-CD2 4.3Å; N375-W380 HydrophobicContact CB-CE3 3.98Å; N375-W380 HydrophobicContact CB-CH2 3.75Å; N375-W380 HydrophobicContact CB-CZ2 4.13Å; N375-W380 HydrophobicContact CB-CZ3 3.7Å
376I90.9Very high92.7Very high3 Ų334 Ų342%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-106.1116.6176.6-64.1-178.5000107.8M315 C374 R378 K379 K381 V383M315-I376 HydrophobicContact CE-CG1 4.35Å; M315-I376 HydrophobicContact SD-CG1 3.97Å; C374-I376 HydrophobicContact CB-CG1 4.38Å; C374-I376 PolarHBondContact O-N 2.79Å; I376-R378 VanDerWaalsContact C-N 3.32Å; I376-R378 PolarHBondContact O-N 3.39Å; I376-K379 PolarHBondContact N-O 2.87Å; I376-K379 PolarHBondContact O-N 2.85Å; I376-K379 VanDerWaalsContact O-O 3.04Å; I376-K381 HydrophobicContact CB-CD 4.38Å; I376-K381 HydrophobicContact CB-CG 4.44Å; I376-V383 HydrophobicContact CD1-CG1 3.55Å
377H87.5Confident92.9Very high162 Ų16232.7 Ų32.775%0.7514%0.143SC*.THydrogen-bonded Turntrans55.544.2175.1-61.6-148.1000112.6K379H377-K379 PolarHBondContact O-N 2.83Å
378R86Confident92.8Very high235 Ų23534.4 Ų34.489%0.88715%0.15SC*.THydrogen-bonded Turntrans63.518.6-175.8-56.2-179.4175.9177.4-2.8114.7N375 I376N375-R378 WeakPolarHBondContact OD1-CA 3.42Å; N375-R378 PolarHBondContact OD1-N 3.43Å; I376-R378 VanDerWaalsContact C-N 3.32Å; I376-R378 PolarHBondContact O-N 3.39Å
379K89.2Confident92.8Very high137 Ų13735.9 Ų35.960%0.59616%0.159SC*.EExtended strand (participates in β ladder)trans-124.3133.7174-65.4-177.3-179.8178.70110.2N375 I376 H377 K381N375-K379 PolarHBondContact OD1-N 2.8Å; I376-K379 PolarHBondContact N-O 2.87Å; I376-K379 PolarHBondContact O-N 2.85Å; I376-K379 VanDerWaalsContact O-O 3.04Å; H377-K379 PolarHBondContact O-N 2.83Å; K379-K381 PolarHBondContact O-N 3.27Å
380W90.5Very high92.6Very high33 Ų3336.3 Ų36.313%0.12516%0.163CC..EExtended strand (participates in β ladder)trans-74.5114.4171.9-67.4111.3000109.6G180 L182 Y302 S316 Y318 V373 N375G180-W380 PolarHBondContact O-NE1 3.49Å; L182-W380 HydrophobicContact CD1-CB 3.93Å; L182-W380 HydrophobicContact CD1-CD2 3.2Å; L182-W380 HydrophobicContact CD1-CE3 3.5Å; L182-W380 VanDerWaalsContact CD1-CE3 3.5Å; L182-W380 HydrophobicContact CD1-CG 3.39Å; L182-W380 HydrophobicContact CD1-CZ2 4.27Å; L182-W380 HydrophobicContact CD1-CZ3 4.15Å; Y302-W380 HydrophobicContact CD1-CB 3.65Å; Y302-W380 HydrophobicContact CE1-CB 3.69Å; Y302-W380 HydrophobicContact CE1-CG 4.49Å; S316-W380 WeakPolarHBondContact O-CZ3 3.45Å; Y318-W380 AromaticContact CD2-CH2 3.87Å; Y318-W380 HydrophobicContact CD2-CH2 3.87Å; Y318-W380 AromaticContact CD2-CZ3 3.82Å; Y318-W380 HydrophobicContact CD2-CZ3 3.82Å; Y318-W380 AromaticContact CE2-CH2 3.62Å; Y318-W380 HydrophobicContact CE2-CH2 3.62Å; Y318-W380 HydrophobicContact CE2-CZ2 4.46Å; Y318-W380 HydrophobicContact CE2-CZ3 4.06Å; V373-W380 HydrophobicContact CG2-CE3 4.46Å; N375-W380 HydrophobicContact CB-CD2 4.3Å; N375-W380 HydrophobicContact CB-CE3 3.98Å; N375-W380 HydrophobicContact CB-CH2 3.75Å; N375-W380 HydrophobicContact CB-CZ2 4.13Å; N375-W380 HydrophobicContact CB-CZ3 3.7Å
381K92.6Very high92.1Very high16 Ų1640.6 Ų40.67%0.0719%0.193CC..EExtended strand (participates in β ladder)trans-119.3143.2178.6-62.4-160.3166.6-171.30110.8S303 E309 V373 C374 I376 K379S303-K381 CarbonylContact O-C 3.57Å; S303-K381 VanDerWaalsContact O-CA 3.23Å; S303-K381 WeakPolarHBondContact O-CA 3.28Å; E309-K381 IonicContact OE1-NZ 3.28Å; E309-K381 PolarHBondContact OE1-NZ 3.11Å; E309-K381 WeakPolarHBondContact OE2-CD 3.43Å; E309-K381 IonicContact OE2-NZ 3.7Å; E309-K381 PolarHBondContact OE2-NZ 2.79Å; V373-K381 CarbonylContact C-O 3.59Å; V373-K381 WeakPolarHBondContact CA-O 3.16Å; C374-K381 PolarHBondContact N-O 3.2Å; C374-K381 PolarHBondContact O-N 3.36Å; I376-K381 HydrophobicContact CB-CD 4.38Å; I376-K381 HydrophobicContact CB-CG 4.44Å; K379-K381 PolarHBondContact O-N 3.27Å
382Q94.5Very high91.6Very high3 Ų348.1 Ų48.11%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-75.5128.4165.6-174.9-179.2-1100108.5S303 L304 S305 P371 L372 V373 L410S303-Q382 PolarHBondContact O-N 2.81Å; L304-Q382 HydrophobicContact CD2-CB 4.25Å; S305-Q382 WeakPolarHBondContact CB-O 3.35Å; S305-Q382 PolarHBondContact N-O 3.43Å; S305-Q382 PolarHBondContact OG-O 3.03Å; P371-Q382 HydrophobicContact CB-CG 3.85Å; L372-Q382 WeakPolarHBondContact O-CA 3.45Å; V373-Q382 HydrophobicContact CG1-CB 4.3Å; Q382-L410 HydrophobicContact CB-CD1 4.35Å; Q382-L410 HydrophobicContact CG-CD1 4.15Å; Q382-L410 HydrophobicContact CG-CD2 4.4Å; Q382-L410 WeakPolarHBondContact O-CD1 3.24Å
383V94.8Very high91.2Very high1 Ų148.7 Ų48.71%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-116.7-21.3-175.2-60.60000113.3A311 Y355 L372 C374 I376 L410A311-V383 HydrophobicContact CB-CB 4.41Å; A311-V383 HydrophobicContact CB-CG1 4.31Å; A311-V383 HydrophobicContact CB-CG2 4.15Å; Y355-V383 HydrophobicContact CE2-CB 4.25Å; Y355-V383 HydrophobicContact CE2-CG2 4.21Å; L372-V383 HydrophobicContact CB-CG2 4.35Å; L372-V383 HydrophobicContact CD2-CG2 3.74Å; L372-V383 HydrophobicContact CG-CG2 3.9Å; L372-V383 PolarHBondContact O-N 2.97Å; C374-V383 HydrophobicContact CB-CG1 4.11Å; C374-V383 HydrophobicContact CB-CG2 4.38Å; I376-V383 HydrophobicContact CD1-CG1 3.55Å; V383-L410 PolarHBondContact O-N 2.73Å
384A95.8Very high91Very high0 Ų052.4 Ų52.40%025%0.252CS..EExtended strand (participates in β ladder)trans-161.6173.5-176.800000112Y355 L372 F407 M408Y355-A384 HydrophobicContact CD2-CB 4.06Å; Y355-A384 HydrophobicContact CE2-CB 4.35Å; L372-A384 HydrophobicContact CB-CB 4.11Å; L372-A384 HydrophobicContact CD2-CB 4.15Å; L372-A384 PolarHBondContact N-O 3.29Å; A384-F407 HydrophobicContact CB-CB 3.82Å; A384-M408 CarbonylContact C-O 3.5Å; A384-M408 WeakPolarHBondContact CA-O 3.4Å; A384-M408 WeakPolarHBondContact CB-O 3.21Å
385F95.4Very high90.9Very high0 Ų056.4 Ų56.40%028%0.277CS..EExtended strand (participates in β ladder)trans-105.5147.1162.6-56.4-77000110.3L219 F221 A284 G369 A370 D387 F407 M408 L410 L413L219-F385 HydrophobicContact CB-CE1 3.9Å; L219-F385 HydrophobicContact CB-CZ 3.93Å; F221-F385 HydrophobicContact CB-CB 4.13Å; F221-F385 HydrophobicContact CD2-CB 4.31Å; A284-F385 HydrophobicContact CB-CD2 4.43Å; A284-F385 HydrophobicContact CB-CE2 3.7Å; A284-F385 HydrophobicContact CB-CZ 4.5Å; G369-F385 WeakPolarHBondContact O-CD1 3.37Å; A370-F385 CarbonylContact O-C 3.47Å; A370-F385 WeakPolarHBondContact O-CA 3.45Å; F385-D387 PolarHBondContact O-N 2.75Å; F385-F407 CarbonylContact O-C 3.54Å; F385-F407 VanDerWaalsContact O-CA 3.24Å; F385-F407 WeakPolarHBondContact O-CA 3.44Å; F385-M408 PolarHBondContact N-O 3.2Å; F385-M408 PolarHBondContact O-N 2.82Å; F385-L410 HydrophobicContact CD2-CD2 3.9Å; F385-L410 HydrophobicContact CE1-CD2 4.31Å; F385-L410 HydrophobicContact CE2-CD2 3.34Å; F385-L410 HydrophobicContact CZ-CD2 3.58Å; F385-L413 HydrophobicContact CE2-CD2 3.92Å; F385-L413 HydrophobicContact CZ-CD2 3.78Å
386Y95.3Very high90.8Very high6 Ų659.4 Ų59.42%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-62.8120.8165-168.2-69.3000109.3V319 V367 G369 A370 V389 V405 F407V319-Y386 HydrophobicContact CG1-CD2 4.02Å; V319-Y386 HydrophobicContact CG2-CD2 4.1Å; V367-Y386 HydrophobicContact CG1-CD1 3.86Å; V367-Y386 HydrophobicContact CG1-CD2 4.31Å; V367-Y386 HydrophobicContact CG1-CE1 3.5Å; V367-Y386 VanDerWaalsContact CG1-CE1 3.5Å; V367-Y386 HydrophobicContact CG1-CE2 3.95Å; V367-Y386 HydrophobicContact CG1-CG 4.27Å; V367-Y386 HydrophobicContact CG2-CD1 4.26Å; V367-Y386 HydrophobicContact CG2-CD2 3.55Å; V367-Y386 HydrophobicContact CG2-CE1 4.49Å; V367-Y386 HydrophobicContact CG2-CE2 3.79Å; V367-Y386 HydrophobicContact CG2-CG 3.81Å; V367-Y386 WeakPolarHBondContact O-CB 2.99Å; G369-Y386 PolarHBondContact N-O 3.23Å; A370-Y386 PolarHBondContact O-N 3.02Å; Y386-V389 WeakPolarHBondContact OH-CG2 3.19Å; Y386-V405 HydrophobicContact CD1-CG1 4.41Å; Y386-V405 HydrophobicContact CD2-CG1 3.84Å; Y386-V405 HydrophobicContact CE1-CG1 4.05Å; Y386-V405 HydrophobicContact CE2-CB 4.35Å; Y386-V405 HydrophobicContact CE2-CG1 3.46Å; Y386-V405 VanDerWaalsContact CE2-CG1 3.46Å; Y386-V405 HydrophobicContact CE2-CG2 3.98Å; Y386-V405 HydrophobicContact CG-CG1 4.3Å; Y386-V405 WeakPolarHBondContact OH-CG2 3.44Å; Y386-F407 AromaticContact CD2-CE1 3.75Å; Y386-F407 HydrophobicContact CD2-CE1 3.75Å; Y386-F407 HydrophobicContact CD2-CZ 4.46Å; Y386-F407 HydrophobicContact CE2-CE1 4.47Å; Y386-F407 HydrophobicContact CG-CE1 4.3Å
387D91.5Very high90.8Very high1 Ų162.9 Ų62.91%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-92.7-77.7174.6177.7-2.3000109.3F221 R223 F385 L406F221-D387 HydrophobicContact CE1-CB 4.32Å; F221-D387 WeakPolarHBondContact CE1-OD1 3.3Å; F221-D387 HydrophobicContact CE2-CB 4.01Å; F221-D387 HydrophobicContact CZ-CB 3.83Å; F221-D387 VanDerWaalsContact CZ-OD1 3.3Å; F221-D387 WeakPolarHBondContact CZ-OD1 3.35Å; R223-D387 IonicContact CZ-OD1 2.78Å; R223-D387 IonicContact NH1-OD1 3.21Å; R223-D387 PolarHBondContact NH2-O 2.81Å; R223-D387 IonicContact NH2-OD1 3.4Å; R223-D387 PolarHBondContact NH2-OD1 3.13Å; F385-D387 PolarHBondContact O-N 2.75Å; D387-L406 HydrophobicContact CB-CB 4.4Å; D387-L406 WeakPolarHBondContact CB-O 3.5Å; D387-L406 PolarHBondContact N-O 3.29Å
388Q90Very high90.9Very high50 Ų5056.4 Ų56.423%0.23430%0.304CS..EExtended strand (participates in β ladder)trans-157.7160.4-173.262.9-172.623.200113.3V405 L406Q388-V405 WeakPolarHBondContact O-CA 3.24Å; Q388-L406 HydrophobicContact CG-CD1 4.43Å; Q388-L406 PolarHBondContact N-O 2.81Å; Q388-L406 PolarHBondContact O-N 3.03Å
389V90.9Very high91.2Very high66 Ų6647.8 Ų47.840%0.428%0.278SS..EExtended strand (participates in β ladder)trans-68.3133.8164.1178.30000108.8Y386 S391 T403 V405Y386-V389 WeakPolarHBondContact OH-CG2 3.19Å; V389-S391 PolarHBondContact O-N 3.26Å; V389-T403 HydrophobicContact CG1-CG2 4.29Å; V389-V405 HydrophobicContact CG2-CG2 4.35Å
390A90.2Very high91Very high10 Ų1049.8 Ų49.88%0.08329%0.29CS..  trans-82.181.2177.600000110.9L345 H392 A393 L404L345-A390 HydrophobicContact CD2-CB 3.5Å; L345-A390 VanDerWaalsContact CD2-CB 3.5Å; A390-H392 PolarHBondContact O-N 2.89Å; A390-H392 VanDerWaalsContact O-N 3.16Å; A390-A393 HydrophobicContact CB-CB 3.9Å; A390-A393 VanDerWaalsContact O-CB 3.29Å; A390-A393 WeakPolarHBondContact O-CB 3.25Å; A390-A393 PolarHBondContact O-N 3.3Å; A390-A393 VanDerWaalsContact O-N 3.15Å; A390-L404 HydrophobicContact CB-CB 4.45Å; A390-L404 HydrophobicContact CB-CD2 4.17Å; A390-L404 HydrophobicContact CB-CG 4.38Å; A390-L404 PolarHBondContact N-O 3.25Å
391S84.4Confident90.9Very high90 Ų9053 Ų5363%0.62931%0.31SS*.THydrogen-bonded Turntrans-53.9-31-177.346.20000115.1V389V389-S391 PolarHBondContact O-N 3.26Å
392H84.4Confident90.9Very high157 Ų15752.8 Ų52.873%0.72731%0.309SS*.THydrogen-bonded Turntrans-98.38.7-175.9-53.1-67.7000113.6N346 A390N346-H392 PolarHBondContact ND2-O 2.92Å; A390-H392 PolarHBondContact O-N 2.89Å; A390-H392 VanDerWaalsContact O-N 3.16Å
393A88.2Confident90.8Very high13 Ų1353.7 Ų53.711%0.10732%0.315CS..SBendtrans-78.8151.8-176.200000113.6R344 L345 A390 T395 L404R344-A393 CarbonylContact O-C 3.55Å; R344-A393 WeakPolarHBondContact O-CA 3.22Å; R344-A393 WeakPolarHBondContact O-CB 3.05Å; L345-A393 HydrophobicContact CD2-CB 4.02Å; A390-A393 HydrophobicContact CB-CB 3.9Å; A390-A393 VanDerWaalsContact O-CB 3.29Å; A390-A393 WeakPolarHBondContact O-CB 3.25Å; A390-A393 PolarHBondContact O-N 3.3Å; A390-A393 VanDerWaalsContact O-N 3.15Å; A393-T395 PolarHBondContact O-N 3.46Å; A393-T395 VanDerWaalsContact O-N 3.08Å; A393-L404 HydrophobicContact CB-CB 4.43Å; A393-L404 HydrophobicContact CB-CD2 3.43Å; A393-L404 VanDerWaalsContact CB-CD2 3.43Å
394N92.1Very high90.8Very high78 Ų7853.8 Ų53.842%0.41732%0.315SS..  trans-71.3100.5166.2-174.2-8.4000110.5R344 T396R344-N394 PolarHBondContact NH1-O 3.42Å; R344-N394 VanDerWaalsContact NH1-O 3.12Å; R344-N394 PolarHBondContact O-N 2.9Å; N394-T396 VanDerWaalsContact C-N 3.3Å; N394-T396 PolarHBondContact O-N 2.79Å; N394-T396 WeakPolarHBondContact OD1-CB 3.26Å; N394-T396 PolarHBondContact OD1-N 2.88Å; N394-T396 PolarHBondContact OD1-OG1 3.49Å
395T91.6Very high90.8Very high83 Ų8353.8 Ų53.851%0.50932%0.315SS..  trans-84.26.1179.253.30000114.1A393 G397 I398A393-T395 PolarHBondContact O-N 3.46Å; A393-T395 VanDerWaalsContact O-N 3.08Å; T395-G397 PolarHBondContact O-N 2.91Å; T395-I398 HydrophobicContact CG2-CD1 4.46Å; T395-I398 VanDerWaalsContact O-CB 3.32Å; T395-I398 WeakPolarHBondContact O-CB 3.45Å; T395-I398 PolarHBondContact O-N 3.43Å
396T91.8Very high90.7Very high104 Ų10454 Ų5464%0.63832%0.317SS*.THydrogen-bonded Turntrans-54.2127.1178.3-55.20000110.9R344 N394 I398R344-T396 PolarHBondContact NH1-O 2.8Å; N394-T396 VanDerWaalsContact C-N 3.3Å; N394-T396 PolarHBondContact O-N 2.79Å; N394-T396 WeakPolarHBondContact OD1-CB 3.26Å; N394-T396 PolarHBondContact OD1-N 2.88Å; N394-T396 PolarHBondContact OD1-OG1 3.49Å; T396-I398 VanDerWaalsContact C-N 3.3Å; T396-I398 PolarHBondContact O-N 3.28Å
397G89.5Confident90.7Very high76 Ų7653.7 Ų53.778%0.78432%0.315SS*.THydrogen-bonded Turntrans77.43.1-177.200000115.7T395T395-G397 PolarHBondContact O-N 2.91Å
398I90.9Very high90.7Very high26 Ų2653.8 Ų53.813%0.13332%0.316CS..SBendtrans-85.8130.6169.1-59.7-176.6000108.5V358 T395 T396 N402 L404V358-I398 HydrophobicContact CG1-CG2 3.76Å; V358-I398 HydrophobicContact CG2-CD1 3.94Å; V358-I398 HydrophobicContact CG2-CG1 4.37Å; T395-I398 HydrophobicContact CG2-CD1 4.46Å; T395-I398 VanDerWaalsContact O-CB 3.32Å; T395-I398 WeakPolarHBondContact O-CB 3.45Å; T395-I398 PolarHBondContact O-N 3.43Å; T396-I398 VanDerWaalsContact C-N 3.3Å; T396-I398 PolarHBondContact O-N 3.28Å; I398-N402 HydrophobicContact CG2-CB 3.72Å; I398-L404 HydrophobicContact CD1-CB 3.96Å; I398-L404 HydrophobicContact CD1-CD1 4.38Å
399P91.1Very high90.8Very high53 Ų5353.3 Ų53.334%0.34431%0.313SS..  trans-56.7146.1174.3-26.334.9000112.7Y144 D401 N402Y144-P399 HydrophobicContact CE2-CG 3.93Å; P399-D401 PolarHBondContact O-N 3.13Å; P399-D401 VanDerWaalsContact O-N 3.08Å; P399-N402 HydrophobicContact CB-CB 4.37Å; P399-N402 WeakPolarHBondContact O-CB 3.49Å; P399-N402 PolarHBondContact O-N 3.03Å
400Q85.3Confident90.7Very high179 Ų17950.7 Ų50.784%0.83630%0.297SS*.THydrogen-bonded Turntrans-58.3-27.7-170.9-173.9171.3-7.900115.1
401D88.2Confident90.1Very high101 Ų10152.1 Ų52.154%0.5431%0.312SS..THydrogen-bonded Turntrans-88.1-14.9177.6-58.5-42.9000113.6P399P399-D401 PolarHBondContact O-N 3.13Å; P399-D401 VanDerWaalsContact O-N 3.08Å
402N92.7Very high89.8Confident12 Ų1251.4 Ų51.46%0.06430%0.301CS..  trans-90.9148.4179.1-68.4-7.2000110.6V358 G359 R360 I398 P399V358-N402 HydrophobicContact CG1-CB 3.71Å; G359-N402 WeakPolarHBondContact O-CA 3.48Å; R360-N402 WeakPolarHBondContact CG-OD1 3.29Å; I398-N402 HydrophobicContact CG2-CB 3.72Å; P399-N402 HydrophobicContact CB-CB 4.37Å; P399-N402 WeakPolarHBondContact O-CB 3.49Å; P399-N402 PolarHBondContact O-N 3.03Å
403T93.3Very high89.6Confident22 Ų2244 Ų4414%0.13527%0.267CS..EExtended strand (participates in β ladder)trans-122147.3174.854.70000110.7V358 G359 V389V358-T403 WeakPolarHBondContact CA-O 3.32Å; G359-T403 PolarHBondContact N-O 3.44Å; G359-T403 PolarHBondContact O-N 2.71Å; G359-T403 PolarHBondContact O-OG1 3.31Å; V389-T403 HydrophobicContact CG1-CG2 4.29Å
404L94.8Very high89.2Confident2 Ų246.5 Ų46.51%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-78.2128.2165.4-169.574000108.5L336 R344 L345 V358 A390 A393 I398L336-L404 HydrophobicContact CD1-CD1 3.59Å; R344-L404 HydrophobicContact CB-CD2 3.92Å; L345-L404 HydrophobicContact CD2-CD2 3.9Å; L345-L404 HydrophobicContact CG-CD2 4.13Å; V358-L404 HydrophobicContact CG2-CD1 3.7Å; A390-L404 HydrophobicContact CB-CB 4.45Å; A390-L404 HydrophobicContact CB-CD2 4.17Å; A390-L404 HydrophobicContact CB-CG 4.38Å; A390-L404 PolarHBondContact N-O 3.25Å; A393-L404 HydrophobicContact CB-CB 4.43Å; A393-L404 HydrophobicContact CB-CD2 3.43Å; A393-L404 VanDerWaalsContact CB-CD2 3.43Å; I398-L404 HydrophobicContact CD1-CB 3.96Å; I398-L404 HydrophobicContact CD1-CD1 4.38Å
405V95Very high88.4Confident0 Ų044.7 Ų44.70%027%0.27CS..EExtended strand (participates in β ladder)trans-125.5142.4-175.2172.70000110.2Y333 C356 G357 Y386 Q388 V389 F407Y333-V405 HydrophobicContact CE1-CB 3.91Å; Y333-V405 HydrophobicContact CE1-CG2 3.7Å; C356-V405 VanDerWaalsContact CA-O 3.24Å; C356-V405 WeakPolarHBondContact CA-O 3.49Å; G357-V405 PolarHBondContact N-O 3.46Å; G357-V405 PolarHBondContact O-N 2.81Å; Y386-V405 HydrophobicContact CD1-CG1 4.41Å; Y386-V405 HydrophobicContact CD2-CG1 3.84Å; Y386-V405 HydrophobicContact CE1-CG1 4.05Å; Y386-V405 HydrophobicContact CE2-CB 4.35Å; Y386-V405 HydrophobicContact CE2-CG1 3.46Å; Y386-V405 VanDerWaalsContact CE2-CG1 3.46Å; Y386-V405 HydrophobicContact CE2-CG2 3.98Å; Y386-V405 HydrophobicContact CG-CG1 4.3Å; Y386-V405 WeakPolarHBondContact OH-CG2 3.44Å; Q388-V405 WeakPolarHBondContact O-CA 3.24Å; V389-V405 HydrophobicContact CG2-CG2 4.35Å; V405-F407 HydrophobicContact CB-CE2 4Å; V405-F407 HydrophobicContact CB-CZ 3.96Å; V405-F407 HydrophobicContact CG1-CD1 4.25Å; V405-F407 HydrophobicContact CG1-CD2 4.27Å; V405-F407 HydrophobicContact CG1-CE1 3.72Å; V405-F407 HydrophobicContact CG1-CE2 3.76Å; V405-F407 HydrophobicContact CG1-CG 4.49Å; V405-F407 HydrophobicContact CG1-CZ 3.46Å; V405-F407 VanDerWaalsContact CG1-CZ 3.46Å
406L93.3Very high87.6Confident5 Ų544 Ų443%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-93.6138.5167.8-71.5169.4000110.3L345 Y349 C356 D387 Q388L345-L406 HydrophobicContact CD1-CD2 3.72Å; Y349-L406 HydrophobicContact CD2-CD2 4.19Å; C356-L406 HydrophobicContact CB-CD2 4.23Å; D387-L406 HydrophobicContact CB-CB 4.4Å; D387-L406 WeakPolarHBondContact CB-O 3.5Å; D387-L406 PolarHBondContact N-O 3.29Å; Q388-L406 HydrophobicContact CG-CD1 4.43Å; Q388-L406 PolarHBondContact N-O 2.81Å; Q388-L406 PolarHBondContact O-N 3.03Å
407F95.3Very high87Confident0 Ų039 Ų390%023%0.229CC..EExtended strand (participates in β ladder)trans-124.4129.3175.9-59.5-81.3000109.7V319 Y333 L335 Q354 Y355 L372 A384 F385 Y386 V405V319-F407 HydrophobicContact CG2-CE1 3.46Å; V319-F407 VanDerWaalsContact CG2-CE1 3.46Å; V319-F407 HydrophobicContact CG2-CZ 3.88Å; Y333-F407 HydrophobicContact CD1-CE2 4.01Å; Y333-F407 AromaticContact CD1-CZ 3.6Å; Y333-F407 HydrophobicContact CD1-CZ 3.6Å; Y333-F407 HydrophobicContact CD2-CZ 4.36Å; Y333-F407 HydrophobicContact CE1-CE2 4.46Å; Y333-F407 AromaticContact CE1-CZ 3.85Å; Y333-F407 HydrophobicContact CE1-CZ 3.85Å; Y333-F407 HydrophobicContact CG-CE2 4.48Å; Y333-F407 AromaticContact CG-CZ 3.86Å; Y333-F407 HydrophobicContact CG-CZ 3.86Å; L335-F407 HydrophobicContact CD2-CD2 4.2Å; L335-F407 HydrophobicContact CD2-CE2 4.26Å; Q354-F407 CarbonylContact C-O 3.48Å; Q354-F407 WeakPolarHBondContact CA-O 3.06Å; Y355-F407 PolarHBondContact N-O 2.93Å; Y355-F407 PolarHBondContact O-N 3.02Å; L372-F407 HydrophobicContact CB-CD1 3.92Å; L372-F407 HydrophobicContact CB-CE1 4.28Å; L372-F407 HydrophobicContact CD1-CD1 4.33Å; L372-F407 HydrophobicContact CD1-CE1 4.02Å; L372-F407 HydrophobicContact CD1-CZ 4.19Å; L372-F407 HydrophobicContact CD2-CB 4.1Å; L372-F407 HydrophobicContact CD2-CD1 3.93Å; L372-F407 HydrophobicContact CD2-CD2 4.07Å; L372-F407 HydrophobicContact CD2-CE1 4.38Å; L372-F407 HydrophobicContact CD2-CE2 4.49Å; L372-F407 HydrophobicContact CD2-CG 3.76Å; L372-F407 HydrophobicContact CG-CD1 4.27Å; L372-F407 HydrophobicContact CG-CE1 4.46Å; A384-F407 HydrophobicContact CB-CB 3.82Å; F385-F407 CarbonylContact O-C 3.54Å; F385-F407 VanDerWaalsContact O-CA 3.24Å; F385-F407 WeakPolarHBondContact O-CA 3.44Å; Y386-F407 AromaticContact CD2-CE1 3.75Å; Y386-F407 HydrophobicContact CD2-CE1 3.75Å; Y386-F407 HydrophobicContact CD2-CZ 4.46Å; Y386-F407 HydrophobicContact CE2-CE1 4.47Å; Y386-F407 HydrophobicContact CG-CE1 4.3Å; V405-F407 HydrophobicContact CB-CE2 4Å; V405-F407 HydrophobicContact CB-CZ 3.96Å; V405-F407 HydrophobicContact CG1-CD1 4.25Å; V405-F407 HydrophobicContact CG1-CD2 4.27Å; V405-F407 HydrophobicContact CG1-CE1 3.72Å; V405-F407 HydrophobicContact CG1-CE2 3.76Å; V405-F407 HydrophobicContact CG1-CG 4.49Å; V405-F407 HydrophobicContact CG1-CZ 3.46Å; V405-F407 VanDerWaalsContact CG1-CZ 3.46Å
408M91.8Very high86.3Confident2 Ų239.6 Ų39.61%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-87118177.2172.754.166.900110.7F221 L270 L272 A282 F353 Q354 A384 F385F221-M408 HydrophobicContact CD2-CB 3.88Å; F221-M408 HydrophobicContact CD2-CG 4.22Å; F221-M408 HydrophobicContact CE2-CB 3.51Å; F221-M408 HydrophobicContact CE2-CG 3.86Å; L270-M408 HydrophobicContact CD1-CE 4.25Å; L270-M408 HydrophobicContact CD1-SD 4.02Å; L272-M408 HydrophobicContact CD1-CE 3.97Å; A282-M408 HydrophobicContact CB-CE 3.46Å; A282-M408 VanDerWaalsContact CB-CE 3.46Å; F353-M408 HydrophobicContact CB-CE 4.19Å; F353-M408 HydrophobicContact CB-SD 4.21Å; Q354-M408 HydrophobicContact CG-CE 4.36Å; A384-M408 CarbonylContact C-O 3.5Å; A384-M408 WeakPolarHBondContact CA-O 3.4Å; A384-M408 WeakPolarHBondContact CB-O 3.21Å; F385-M408 PolarHBondContact N-O 3.2Å; F385-M408 PolarHBondContact O-N 2.82Å
409K91.8Very high85Confident40 Ų4042.6 Ų42.617%0.17423%0.228CC..EExtended strand (participates in β ladder)trans-56.1144.9176.9-66.3-177.6176.3-172.20110.8P351 F353 Q354 Y355 G411P351-K409 WeakPolarHBondContact O-CE 3.3Å; P351-K409 PolarHBondContact O-NZ 2.89Å; F353-K409 WeakPolarHBondContact O-CB 3.45Å; F353-K409 WeakPolarHBondContact O-CG 3.45Å; F353-K409 PolarHBondContact O-N 3.32Å; Q354-K409 VanDerWaalsContact O-CE 3.31Å; Q354-K409 WeakPolarHBondContact O-CE 3.18Å; Y355-K409 HydrophobicContact CD2-CG 3.83Å; Y355-K409 VanDerWaalsContact CE1-CE 3.46Å; Y355-K409 HydrophobicContact CE2-CD 4.19Å; Y355-K409 HydrophobicContact CE2-CG 3.57Å; Y355-K409 VanDerWaalsContact CZ-CE 3.48Å; K409-G411 VanDerWaalsContact C-N 3.28Å; K409-G411 PolarHBondContact O-N 2.73Å
410L89.7Confident83.7Confident12 Ų1240.4 Ų40.46%0.06321%0.213CC..  trans-62.1-38.1174.5-62.1-177.2000112.1L304 Q382 V383 F385 L413L304-L410 HydrophobicContact CB-CD1 3.88Å; L304-L410 HydrophobicContact CD2-CD1 3.83Å; L304-L410 HydrophobicContact CG-CD1 4.29Å; Q382-L410 HydrophobicContact CB-CD1 4.35Å; Q382-L410 HydrophobicContact CG-CD1 4.15Å; Q382-L410 HydrophobicContact CG-CD2 4.4Å; Q382-L410 WeakPolarHBondContact O-CD1 3.24Å; V383-L410 PolarHBondContact O-N 2.73Å; F385-L410 HydrophobicContact CD2-CD2 3.9Å; F385-L410 HydrophobicContact CE1-CD2 4.31Å; F385-L410 HydrophobicContact CE2-CD2 3.34Å; F385-L410 HydrophobicContact CZ-CD2 3.58Å; L410-L413 HydrophobicContact CB-CB 4.33Å; L410-L413 HydrophobicContact CD2-CD2 4.05Å
411G77.8Confident82.4Confident39 Ų3934.4 Ų34.440%0.40219%0.186SC..  trans60.2-146.3-167.600000110.7K409 L413K409-G411 VanDerWaalsContact C-N 3.28Å; K409-G411 PolarHBondContact O-N 2.73Å; G411-L413 VanDerWaalsContact C-N 3.27Å; G411-L413 PolarHBondContact O-N 2.81Å; G411-L413 VanDerWaalsContact O-N 3.09Å
412D76.8Confident80.6Confident76 Ų7633.3 Ų33.341%0.40619%0.185SC..SBendtrans-84.568.4172.8-170.428.5000111.1P307 S415 K416P307-D412 HydrophobicContact CG-CB 3.81Å; D412-S415 WeakPolarHBondContact OD1-CB 3.41Å; D412-S415 PolarHBondContact OD1-OG 2.99Å; D412-S415 WeakPolarHBondContact OD2-CB 3.5Å; D412-S415 PolarHBondContact OD2-OG 3.45Å; D412-K416 VanDerWaalsContact O-CD 3.23Å; D412-K416 WeakPolarHBondContact O-CD 3.39Å; D412-K416 WeakPolarHBondContact O-CE 3.09Å; D412-K416 WeakPolarHBondContact O-CG 3.32Å
413L80.8Confident78.4Confident2 Ų237.4 Ų37.41%0.0120%0.203CC..  trans-82.8-31.9177.3-17459.6000112.2L219 F268 A284 I286 F385 L410 G411 K416 I417L219-L413 HydrophobicContact CD1-CD2 4.25Å; L219-L413 HydrophobicContact CD2-CD2 4.29Å; F268-L413 HydrophobicContact CD2-CD1 3.89Å; F268-L413 HydrophobicContact CE2-CD1 3.9Å; A284-L413 HydrophobicContact CB-CD1 3.74Å; A284-L413 HydrophobicContact CB-CD2 3.96Å; A284-L413 HydrophobicContact CB-CG 4.46Å; I286-L413 HydrophobicContact CD1-CD1 4.27Å; I286-L413 HydrophobicContact CG1-CD1 4.26Å; F385-L413 HydrophobicContact CE2-CD2 3.92Å; F385-L413 HydrophobicContact CZ-CD2 3.78Å; L410-L413 HydrophobicContact CB-CB 4.33Å; L410-L413 HydrophobicContact CD2-CD2 4.05Å; G411-L413 VanDerWaalsContact C-N 3.27Å; G411-L413 PolarHBondContact O-N 2.81Å; G411-L413 VanDerWaalsContact O-N 3.09Å; L413-K416 WeakPolarHBondContact O-CB 3.46Å; L413-K416 PolarHBondContact O-N 2.88Å; L413-K416 VanDerWaalsContact O-N 3.16Å; L413-I417 WeakPolarHBondContact O-CG1 3.38Å; L413-I417 PolarHBondContact O-N 2.85Å; L413-I417 VanDerWaalsContact O-N 3.09Å
414E79.4Confident76.2Confident64 Ų6438.2 Ų38.230%0.29921%0.212SC..Hα-helixtrans-63.4-46.6-176.4-162.6170.3-174.900111.4L304 K416 I417 D418L304-E414 HydrophobicContact CD1-CB 4.08Å; L304-E414 HydrophobicContact CD1-CG 4.36Å; E414-K416 PolarHBondContact O-N 3.04Å; E414-K416 VanDerWaalsContact O-N 3.17Å; E414-I417 WeakPolarHBondContact O-CB 3.27Å; E414-I417 PolarHBondContact O-N 2.79Å; E414-D418 PolarHBondContact O-N 3.3Å
415S75.1Confident73.5Confident40 Ų4045.6 Ų45.628%0.2824%0.244SC..Hα-helixtrans-59.8-29.4175.8780000113.2D412 Q419D412-S415 WeakPolarHBondContact OD1-CB 3.41Å; D412-S415 PolarHBondContact OD1-OG 2.99Å; D412-S415 WeakPolarHBondContact OD2-CB 3.5Å; D412-S415 PolarHBondContact OD2-OG 3.45Å; S415-Q419 WeakPolarHBondContact O-CG 3.31Å; S415-Q419 PolarHBondContact O-N 2.78Å
416K75.9Confident70.9Confident68 Ų6850.5 Ų50.530%0.29628%0.276SS..Hα-helixtrans-79.7-25.5179-63.9173.9-179.3-179.80112.9F268 D412 L413 E414 Q419 T420F268-K416 HydrophobicContact CD1-CD 3.79Å; F268-K416 HydrophobicContact CD2-CD 4.12Å; F268-K416 HydrophobicContact CE1-CB 4.09Å; F268-K416 HydrophobicContact CE1-CD 3.75Å; F268-K416 HydrophobicContact CE1-CG 4.18Å; F268-K416 HydrophobicContact CE2-CB 3.94Å; F268-K416 HydrophobicContact CE2-CD 4.08Å; F268-K416 HydrophobicContact CG-CD 3.96Å; F268-K416 HydrophobicContact CZ-CB 3.56Å; F268-K416 HydrophobicContact CZ-CD 3.9Å; F268-K416 HydrophobicContact CZ-CG 4.15Å; D412-K416 VanDerWaalsContact O-CD 3.23Å; D412-K416 WeakPolarHBondContact O-CD 3.39Å; D412-K416 WeakPolarHBondContact O-CE 3.09Å; D412-K416 WeakPolarHBondContact O-CG 3.32Å; L413-K416 WeakPolarHBondContact O-CB 3.46Å; L413-K416 PolarHBondContact O-N 2.88Å; L413-K416 VanDerWaalsContact O-N 3.16Å; E414-K416 PolarHBondContact O-N 3.04Å; E414-K416 VanDerWaalsContact O-N 3.17Å; K416-Q419 PolarHBondContact O-N 3.34Å; K416-T420 PolarHBondContact O-N 3.35Å; K416-T420 PolarHBondContact O-OG1 2.76Å
417I78.6Confident68.2Low1 Ų157 Ų571%0.00531%0.311CS..Hα-helixtrans-63.2-47.3171.5-65165.7000109.4Y207 T217 L219 I286 L304 L413 E414 Q419 T420Y207-I417 HydrophobicContact CD1-CD1 3.87Å; Y207-I417 HydrophobicContact CD1-CG2 4.13Å; Y207-I417 HydrophobicContact CD2-CD1 4.19Å; Y207-I417 HydrophobicContact CE1-CD1 3.84Å; Y207-I417 HydrophobicContact CE1-CG2 3.88Å; Y207-I417 HydrophobicContact CE2-CD1 4.17Å; Y207-I417 HydrophobicContact CG-CD1 4.03Å; T217-I417 HydrophobicContact CG2-CG2 4.49Å; L219-I417 HydrophobicContact CD1-CD1 4.12Å; L219-I417 HydrophobicContact CD2-CD1 3.9Å; L219-I417 HydrophobicContact CD2-CG1 4.22Å; I286-I417 HydrophobicContact CD1-CB 4.23Å; I286-I417 HydrophobicContact CD1-CG1 3.57Å; I286-I417 HydrophobicContact CG1-CG1 4.25Å; L304-I417 HydrophobicContact CD1-CD1 3.94Å; L413-I417 WeakPolarHBondContact O-CG1 3.38Å; L413-I417 PolarHBondContact O-N 2.85Å; L413-I417 VanDerWaalsContact O-N 3.09Å; E414-I417 WeakPolarHBondContact O-CB 3.27Å; E414-I417 PolarHBondContact O-N 2.79Å; I417-Q419 VanDerWaalsContact C-N 3.33Å; I417-Q419 PolarHBondContact O-N 2.91Å; I417-T420 VanDerWaalsContact O-CB 3.25Å; I417-T420 WeakPolarHBondContact O-CB 3.25Å; I417-T420 PolarHBondContact O-N 2.86Å
418D73.9Confident65.3Low87 Ų8767.8 Ų67.847%0.46535%0.353SS..Hα-helixtrans-66.4-34.4179.2-69.1-28.9000112.7R209 E414 T420 E421R209-D418 IonicContact CZ-OD1 2.94Å; R209-D418 IonicContact NE-OD1 2.6Å; R209-D418 IonicContact NH2-OD1 2.9Å; R209-D418 PolarHBondContact NH2-OD1 3.09Å; E414-D418 PolarHBondContact O-N 3.3Å; D418-T420 VanDerWaalsContact C-N 3.3Å; D418-T420 PolarHBondContact O-N 2.95Å; D418-E421 PolarHBondContact O-N 2.98Å
419Q64.2Low62.6Low90 Ų9077.1 Ų77.142%0.42139%0.389SS..Hα-helixtrans-62.8-35169.7-69.7173.926.600112.5S415 K416 I417 E421 S422 F423S415-Q419 WeakPolarHBondContact O-CG 3.31Å; S415-Q419 PolarHBondContact O-N 2.78Å; K416-Q419 PolarHBondContact O-N 3.34Å; I417-Q419 VanDerWaalsContact C-N 3.33Å; I417-Q419 PolarHBondContact O-N 2.91Å; Q419-E421 PolarHBondContact O-N 3.24Å; Q419-E421 VanDerWaalsContact O-N 3.16Å; Q419-S422 PolarHBondContact O-N 3.3Å; Q419-S422 PolarHBondContact O-OG 3Å; Q419-F423 WeakPolarHBondContact O-CD2 3.48Å
420T63.5Low59.9Low6 Ų680.4 Ų80.44%0.03741%0.413CS..Hα-helixtrans-60.8-28.8-178.9-53.50000112L266 I286 K288 K416 I417 D418 A424L266-T420 HydrophobicContact CD2-CG2 4.15Å; L266-T420 WeakPolarHBondContact CD2-OG1 3.3Å; I286-T420 WeakPolarHBondContact CD1-OG1 3.34Å; I286-T420 HydrophobicContact CG2-CG2 4.31Å; K288-T420 HydrophobicContact CG-CG2 4.3Å; K416-T420 PolarHBondContact O-N 3.35Å; K416-T420 PolarHBondContact O-OG1 2.76Å; I417-T420 VanDerWaalsContact O-CB 3.25Å; I417-T420 WeakPolarHBondContact O-CB 3.25Å; I417-T420 PolarHBondContact O-N 2.86Å; D418-T420 VanDerWaalsContact C-N 3.3Å; D418-T420 PolarHBondContact O-N 2.95Å; T420-A424 PolarHBondContact O-N 3.18Å
421E58.8Low57.1Low54 Ų5489.9 Ų89.925%0.25245%0.454SS..Hα-helixtrans-82.1-21.4-177.6-58.7-158.6152.300114.5R209 K288 D418 Q419 F423 A424R209-E421 IonicContact CZ-OE1 3.15Å; R209-E421 IonicContact CZ-OE2 2.98Å; R209-E421 VanDerWaalsContact NH1-CD 3.3Å; R209-E421 IonicContact NH1-OE1 2.7Å; R209-E421 PolarHBondContact NH1-OE1 3.36Å; R209-E421 IonicContact NH1-OE2 3.72Å; R209-E421 PolarHBondContact NH1-OE2 3.23Å; R209-E421 IonicContact NH2-OE1 2.64Å; R209-E421 IonicContact NH2-OE2 2.76Å; R209-E421 PolarHBondContact NH2-OE2 2.98Å; K288-E421 IonicContact NZ-OE1 2.62Å; K288-E421 PolarHBondContact NZ-OE1 2.82Å; D418-E421 PolarHBondContact O-N 2.98Å; Q419-E421 PolarHBondContact O-N 3.24Å; Q419-E421 VanDerWaalsContact O-N 3.16Å; E421-F423 VanDerWaalsContact C-N 3.35Å; E421-A424 PolarHBondContact O-N 2.74Å
422S51.3Low55.2Low77 Ų7792.7 Ų92.754%0.53847%0.467SS..Hα-helixtrans-69.1-36.8170.869.30000111Q419 A424Q419-S422 PolarHBondContact O-N 3.3Å; Q419-S422 PolarHBondContact O-OG 3Å; S422-A424 VanDerWaalsContact C-N 3.35Å
423F45.3Very low53.1Low99 Ų99100.1 Ų100.143%0.43449%0.489SS..Hα-helixtrans-70.6-26.3174.5-62.2-72.8000113.9K68 V69 Q419 E421K68-F423 HydrophobicContact CB-CE1 3.9Å; K68-F423 HydrophobicContact CD-CE1 4.49Å; V69-F423 HydrophobicContact CG2-CZ 3.94Å; Q419-F423 WeakPolarHBondContact O-CD2 3.48Å; E421-F423 VanDerWaalsContact C-N 3.35Å
424A46.6Very low51.1Low38 Ų38107.6 Ų107.631%0.31452%0.524SS..THydrogen-bonded Turntrans-83.5-7.9-175.700000114.4T420 E421 S422T420-A424 PolarHBondContact O-N 3.18Å; E421-A424 PolarHBondContact O-N 2.74Å; S422-A424 VanDerWaalsContact C-N 3.35Å
425K39.6Very low49.2Very low158 Ų158110.8 Ų110.869%0.68755%0.548SS*.SBendtrans-87.4120.3172.5-71.4-179.3-179.2177.70109.2N427K425-N427 PolarHBondContact O-N 3.31Å
426P39.5Very low47.4Very low103 Ų103118.1 Ų118.167%0.66957%0.571SS**  trans-63.9123.9170.327.3-32.2000108.4Y428P426-Y428 PolarHBondContact O-N 3.14Å
427N36.2Very low45.7Very low142 Ų142120.4 Ų120.476%0.75959%0.593SS**  trans-60.7112.3171.8-92.1-22.3000108.9K425 Y429K425-N427 PolarHBondContact O-N 3.31Å; N427-Y429 HydrophobicContact CB-CD2 4.29Å; N427-Y429 PolarHBondContact O-N 3.05Å
428Y34.5Very low43.6Very low226 Ų226125.5 Ų125.589%0.88664%0.635SS**  trans-70.866.7168.8-91.3-96.8000110.1P426 T430P426-Y428 PolarHBondContact O-N 3.14Å; Y428-T430 PolarHBondContact O-N 2.86Å
429Y36.4Very low42.1Very low197 Ų197124.4 Ų124.477%0.77364%0.644SS**  trans-89.692.7164.3-96.1-83.6000109.6N427N427-Y429 HydrophobicContact CB-CD2 4.29Å; N427-Y429 PolarHBondContact O-N 3.05Å
430T34.9Very low40.9Very low109 Ų109128.1 Ų128.167%0.66967%0.666SS**  trans44.497.9144.5-7.50000118.3Y428 S432Y428-T430 PolarHBondContact O-N 2.86Å; T430-S432 VanDerWaalsContact C-N 3.3Å; T430-S432 PolarHBondContact O-N 3.21Å
431K31.1Very low39.7Very low212 Ų212137.7 Ų137.792%0.92271%0.707SS**  trans-7079.7158.7-173.8-177.4-176.5178.30110.7
432S37.4Very low38.9Very low97 Ų97143 Ų14368%0.67874%0.738SS**  trans-91.997.8160.147.80000108.1T430T430-S432 VanDerWaalsContact C-N 3.3Å; T430-S432 PolarHBondContact O-N 3.21Å
433R32.4Very low38.6Very low232 Ų232152 Ų15288%0.87577%0.771SS**  46.576.596.7-86.7-165.5175.4-177.3-0113.1
434E38.6Very low38.3Very low159 Ų159154.6 Ų154.674%0.74379%0.788SS**  trans-126.6111.2140.1-79.1-172.1160.500108.4Y436E434-Y436 HydrophobicContact CB-CD2 4.37Å; E434-Y436 HydrophobicContact CB-CE2 4.18Å
435T39Very low37.9Very low131 Ų131160.7 Ų160.780%0.80481%0.813SS**  trans-94.897.7177-50.20000107.2P437T435-P437 WeakPolarHBondContact O-CD 3.32Å
436Y38.6Very low37.8Very low195 Ų195160.9 Ų160.977%0.76582%0.82SS**PPolyproline II helixtrans-84.4119.2169-82.7-85000109.4E434E434-Y436 HydrophobicContact CB-CD2 4.37Å; E434-Y436 HydrophobicContact CB-CE2 4.18Å
437P39.6Very low37.7Very low115 Ų115164.3 Ų164.375%0.74783%0.829SS**PPolyproline II helixtrans-72.7130.817529.7-32.3000109.8T435T435-P437 WeakPolarHBondContact O-CD 3.32Å
438A35.2Very low37.8Very low109 Ų109165.7 Ų165.790%0.90183%0.833SS**PPolyproline II helixtrans-70.4128.2167.800000109.5
439G41.8Very low38Very low63 Ų63161.7 Ų161.765%0.64983%0.829SS**  trans-176.2128.8175.800000113
440L38.6Very low38.1Very low169 Ų169159.1 Ų159.189%0.88583%0.833SS**  trans66.188.8161.2-61.9134.2000117.6
441F39.1Very low38.3Very low206 Ų206163 Ų16390%0.90485%0.846SS**  -137.5111.5128.7-100.1-79.9000108
442N40.4Very low38.9Very low166 Ų166158.9 Ų158.989%0.88884%0.84SS**  trans-16268.8176.1-130.527.2000108.9
443E46.6Very low39.1Very low265 Ų265164.5 Ų164.5100%1.23885%0.854SS**  trans-166.50151.2-106.6-178.5156.400108.3

Retrieved 443 of 443 residues in 244 ms (Link to these results)