A0A3Q0KCY4_SCHMA Loading...

DUF4537 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 657 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
1M24.9Very low22.3Very low242 Ų242137.5 Ų137.5100%1.19273%0.727SS**  0109.10-88.8174.4156.800108.4C3M1-C3 PolarHBondContact O-N 3.29Å
2G23.5Very low22.6Very low69 Ų69130 Ų13071%0.71169%0.686SS**  trans-70.4111.9-173.400000111.9Y4G2-Y4 PolarHBondContact O-N 2.99Å
3C22.5Very low22.8Very low124 Ų124126.7 Ų126.784%0.83868%0.68SS**  trans-81.5105.2163.1-82.40000108.1M1 K5M1-C3 PolarHBondContact O-N 3.29Å; C3-K5 PolarHBondContact O-N 3.07Å
4Y22.8Very low23.9Very low221 Ų221121.9 Ų121.987%0.86768%0.675SS**  trans-51119.8169.2-73.2-93.9000110G2 E6G2-Y4 PolarHBondContact O-N 2.99Å; Y4-E6 PolarHBondContact O-N 3.42Å; Y4-E6 VanDerWaalsContact O-N 3.13Å
5K20.6Very low25.8Very low199 Ų199118.6 Ų118.687%0.86565%0.649SS**  trans-7395.8171-82.8-178.2175.3177.30108.8C3C3-K5 PolarHBondContact O-N 3.07Å
6E21.3Very low27.6Very low154 Ų154111.6 Ų111.672%0.7261%0.611SS**  trans-106.584.4159.7-70.7-173171.200109Y4 K41Y4-E6 PolarHBondContact O-N 3.42Å; Y4-E6 VanDerWaalsContact O-N 3.13Å; E6-K41 PolarHBondContact O-NZ 3.41Å
7S20.1Very low29.4Very low96 Ų96105.6 Ų105.667%0.67158%0.578SS**  trans-102.392.4169.553.60000108.9
8V22.9Very low31.1Very low113 Ų113100 Ų10069%0.68555%0.547SS*.  trans-114.7105.2154.4-178.90000104.2
9L22.6Very low32.6Very low67 Ų6794.9 Ų94.935%0.35152%0.519SS..  trans-177.5127.2155.3-96.4161.3000108.6L42L9-L42 HydrophobicContact CD1-CD2 4.49Å; L9-L42 HydrophobicContact CD1-CG 4.15Å; L9-L42 HydrophobicContact CD2-CD2 3.95Å; L9-L42 HydrophobicContact CD2-CG 4.49Å
10W22.1Very low34Very low142 Ų14291.1 Ų91.154%0.53850%0.497SS..  trans-91.6133.7-170.8-71.264.1000110.2E251 T519W10-E251 VanDerWaalsContact CH2-OE1 3.3Å; W10-E251 WeakPolarHBondContact CH2-OE1 3.36Å; W10-E251 VanDerWaalsContact CH2-OE2 3.31Å; W10-E251 WeakPolarHBondContact CH2-OE2 3.18Å; W10-E251 VanDerWaalsContact CZ2-OE2 3.32Å; W10-E251 WeakPolarHBondContact CZ2-OE2 3.39Å; W10-T519 HydrophobicContact CH2-CG2 3.79Å; W10-T519 HydrophobicContact CZ3-CG2 3.94Å
11P22.5Very low35.3Very low86 Ų8686.7 Ų86.756%0.55847%0.473SS*.  trans-88.8118.8178.332-29.3000110.7
12I25.1Very low36.9Very low47 Ų4775.9 Ų75.924%0.24142%0.42CS..  trans-125114.5168.4-30.2171000108Y15 Y48I12-Y15 HydrophobicContact CB-CD2 4.19Å; I12-Y15 HydrophobicContact CB-CE2 3.67Å; I12-Y15 HydrophobicContact CG2-CD2 4.36Å; I12-Y15 HydrophobicContact CG2-CE2 3.42Å; I12-Y15 VanDerWaalsContact CG2-CE2 3.42Å; I12-Y48 WeakPolarHBondContact O-CE1 3.42Å; I12-Y48 PolarHBondContact O-OH 3.02Å
13S26.1Very low38.5Very low87 Ų8775 Ų7561%0.60840%0.4SS*.  trans-78137-177.8490000112
14G38.2Very low40.2Very low59 Ų5974.2 Ų74.261%0.60838%0.384SS*.SBendtrans117.76.6164.500000117.7
15Y51.7Low42Very low73 Ų7364.5 Ų64.529%0.28635%0.345SS..  trans-96.4155.7-168.5-69.7-93.4000115.2I12 A106I12-Y15 HydrophobicContact CB-CD2 4.19Å; I12-Y15 HydrophobicContact CB-CE2 3.67Å; I12-Y15 HydrophobicContact CG2-CD2 4.36Å; I12-Y15 HydrophobicContact CG2-CE2 3.42Å; I12-Y15 VanDerWaalsContact CG2-CE2 3.42Å; Y15-A106 HydrophobicContact CE1-CB 4.27Å
16T54.4Low43.9Very low7 Ų755.3 Ų55.34%0.04331%0.306CS..EExtended strand (participates in β ladder)trans-89.5127.1160.4-54.50000108.2R49 F66 F107 E108T16-R49 CarbonylContact C-O 3.59Å; T16-R49 VanDerWaalsContact CA-O 3.28Å; T16-R49 WeakPolarHBondContact CA-O 3.47Å; T16-R49 HydrophobicContact CG2-CB 4.43Å; T16-F66 HydrophobicContact CG2-CE1 4.04Å; T16-F107 HydrophobicContact CG2-CB 4.42Å; T16-F107 VanDerWaalsContact O-CA 3.28Å; T16-F107 WeakPolarHBondContact O-CA 3.47Å; T16-F107 VanDerWaalsContact O-CB 3.32Å; T16-F107 WeakPolarHBondContact O-CB 3.35Å; T16-E108 PolarHBondContact O-N 3.22Å; T16-E108 VanDerWaalsContact O-N 3.08Å
17I58.8Low45.7Very low9 Ų955.9 Ų55.95%0.04630%0.301CS..EExtended strand (participates in β ladder)trans-113125.9-179.1-59.1173.1000108.6I19 Y48 R49 F50 N51 Y110I17-I19 HydrophobicContact CG2-CG1 4.31Å; I17-Y48 HydrophobicContact CD1-CD1 4.23Å; I17-Y48 HydrophobicContact CD1-CG 4.16Å; I17-R49 PolarHBondContact N-O 3.06Å; I17-F50 HydrophobicContact CB-CD2 4.17Å; I17-F50 HydrophobicContact CG2-CD2 4.11Å; I17-F50 HydrophobicContact CG2-CE2 4.48Å; I17-F50 WeakPolarHBondContact O-CA 3.27Å; I17-N51 PolarHBondContact O-N 3.33Å; I17-Y110 HydrophobicContact CG2-CD2 3.96Å; I17-Y110 HydrophobicContact CG2-CE2 4.17Å
18M59.1Low47.5Very low5 Ų553.8 Ų53.83%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-108.7125.3171.4-180164.250.700109.6N51 F98 F101 F107 E108 I109 Y110M18-N51 WeakPolarHBondContact CA-O 3.38Å; M18-F98 HydrophobicContact CE-CE1 4.49Å; M18-F101 HydrophobicContact CE-CD1 4.39Å; M18-F101 HydrophobicContact CE-CE1 4.37Å; M18-F101 HydrophobicContact CG-CE1 4.46Å; M18-F101 HydrophobicContact CG-CZ 4.49Å; M18-F101 HydrophobicContact SD-CD1 4.12Å; M18-F101 HydrophobicContact SD-CD2 4.46Å; M18-F101 HydrophobicContact SD-CE1 3.61Å; M18-F101 HydrophobicContact SD-CE2 4.06Å; M18-F101 HydrophobicContact SD-CZ 3.57Å; M18-F101 VanDerWaalsContact SD-CZ 3.57Å; M18-F107 HydrophobicContact CE-CD2 4.46Å; M18-F107 HydrophobicContact CE-CE2 4.03Å; M18-E108 PolarHBondContact N-O 2.63Å; M18-I109 HydrophobicContact CE-CB 4.26Å; M18-I109 HydrophobicContact CE-CD1 3.53Å; M18-I109 HydrophobicContact CE-CG1 3.51Å; M18-I109 HydrophobicContact CE-CG2 3.94Å; M18-I109 CarbonylContact O-C 3.58Å; M18-I109 WeakPolarHBondContact O-CA 3.38Å; M18-Y110 PolarHBondContact O-N 3.12Å
19I60.8Low49.3Very low3 Ų354.9 Ų54.92%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-109.1123.6172.5-73.6-176.2000109I17 I21 L35 L39 F50 N51 I52 A53 F112I17-I19 HydrophobicContact CG2-CG1 4.31Å; I19-I21 HydrophobicContact CG2-CD1 4.37Å; I19-I21 HydrophobicContact CG2-CG1 3.88Å; I19-L35 HydrophobicContact CD1-CD1 3.84Å; I19-L35 HydrophobicContact CG2-CD1 4.19Å; I19-L39 HydrophobicContact CD1-CD1 4.12Å; I19-L39 HydrophobicContact CD1-CD2 3.4Å; I19-L39 VanDerWaalsContact CD1-CD2 3.4Å; I19-L39 HydrophobicContact CD1-CG 3.98Å; I19-F50 HydrophobicContact CB-CE2 3.89Å; I19-F50 HydrophobicContact CB-CZ 4.24Å; I19-F50 HydrophobicContact CD1-CE2 3.49Å; I19-F50 VanDerWaalsContact CD1-CE2 3.49Å; I19-F50 HydrophobicContact CD1-CZ 3.99Å; I19-F50 HydrophobicContact CG1-CE2 3.62Å; I19-F50 HydrophobicContact CG1-CZ 4.32Å; I19-N51 PolarHBondContact N-O 2.94Å; I19-I52 WeakPolarHBondContact O-CA 3.48Å; I19-A53 PolarHBondContact O-N 3.18Å; I19-F112 HydrophobicContact CD1-CE2 4.3Å; I19-F112 HydrophobicContact CG1-CE2 4.34Å; I19-F112 HydrophobicContact CG2-CD2 3.92Å; I19-F112 HydrophobicContact CG2-CE2 3.83Å
20W60.6Low50.9Low18 Ų1860.8 Ų60.87%0.06829%0.294CS..EExtended strand (participates in β ladder)trans-106.5123.3173.5-174.314.5000110A53 F96 Y110 L111 F112 L127W20-A53 WeakPolarHBondContact CA-O 3.38Å; W20-A53 HydrophobicContact CB-CB 4.47Å; W20-F96 HydrophobicContact CZ2-CE1 4.42Å; W20-F96 HydrophobicContact CZ2-CZ 4.27Å; W20-Y110 PolarHBondContact N-O 3.26Å; W20-L111 HydrophobicContact CB-CD2 3.8Å; W20-L111 HydrophobicContact CD2-CD2 3.94Å; W20-L111 HydrophobicContact CE3-CD2 3.17Å; W20-L111 HydrophobicContact CG-CD2 4.26Å; W20-L111 HydrophobicContact CZ3-CD2 3.94Å; W20-F112 PolarHBondContact O-N 3.37Å; W20-L127 HydrophobicContact CH2-CD2 4.28Å
21I60.3Low52.7Low0 Ų054.3 Ų54.30%027%0.27CS..EExtended strand (participates in β ladder)trans-112.5126177.3-51170.1000108I19 W25 I26 F31 L35 I52 A53 L54 S55 V81I19-I21 HydrophobicContact CG2-CD1 4.37Å; I19-I21 HydrophobicContact CG2-CG1 3.88Å; I21-W25 HydrophobicContact CG2-CB 3.85Å; I21-I26 HydrophobicContact CG2-CG1 3.81Å; I21-F31 HydrophobicContact CB-CE1 4.47Å; I21-F31 HydrophobicContact CD1-CE1 4.14Å; I21-F31 HydrophobicContact CG1-CE1 4.11Å; I21-F31 HydrophobicContact CG1-CZ 4.34Å; I21-F31 HydrophobicContact CG2-CD1 4.4Å; I21-F31 HydrophobicContact CG2-CE1 3.58Å; I21-F31 HydrophobicContact CG2-CZ 4.23Å; I21-L35 HydrophobicContact CD1-CD2 3.5Å; I21-L35 VanDerWaalsContact CD1-CD2 3.5Å; I21-L35 HydrophobicContact CG1-CD2 4.31Å; I21-I52 HydrophobicContact CD1-CG2 4.27Å; I21-A53 PolarHBondContact N-O 3.31Å; I21-L54 HydrophobicContact CB-CD2 3.91Å; I21-L54 HydrophobicContact CD1-CD2 4.03Å; I21-L54 HydrophobicContact CG1-CD2 4.34Å; I21-S55 PolarHBondContact O-N 3.06Å; I21-V81 HydrophobicContact CD1-CG1 4.13Å; I21-V81 HydrophobicContact CD1-CG2 4.31Å
22V58.6Low54.6Low14 Ų1450.3 Ų50.39%0.08524%0.244CC..EExtended strand (participates in β ladder)trans-82146.2173.3-174.10000110.5E24 W25 F112 V113 I117V22-E24 VanDerWaalsContact C-N 3.27Å; V22-E24 PolarHBondContact O-N 3.28Å; V22-W25 WeakPolarHBondContact O-CB 3.4Å; V22-W25 PolarHBondContact O-N 2.73Å; V22-F112 WeakPolarHBondContact CG2-O 3.38Å; V22-V113 HydrophobicContact CG2-CG1 4.3Å; V22-I117 HydrophobicContact CB-CD1 4.47Å; V22-I117 HydrophobicContact CG1-CD1 3.43Å; V22-I117 VanDerWaalsContact CG1-CD1 3.43Å
23D58.4Low56.3Low51 Ų5150.6 Ų50.627%0.27325%0.246SC..Hα-helixtrans-38.7-47.6-177.1-84.6-33.8000115.7W25 I26 A56 L57D23-W25 PolarHBondContact O-N 2.93Å; D23-W25 VanDerWaalsContact O-N 3.09Å; D23-I26 WeakPolarHBondContact O-CB 3.45Å; D23-I26 PolarHBondContact O-N 3.28Å; D23-I26 VanDerWaalsContact O-N 3.07Å; D23-A56 VanDerWaalsContact OD1-CA 3.28Å; D23-A56 WeakPolarHBondContact OD1-CA 3.42Å; D23-A56 WeakPolarHBondContact OD2-CA 3.28Å; D23-L57 PolarHBondContact OD2-N 3.19Å
24E58.1Low57.8Low108 Ų10849.9 Ų49.951%0.50524%0.235SC..Hα-helixtrans-56.8-29.8-178.3-66.5-178.3-174.200112.5V22 P114V22-E24 VanDerWaalsContact C-N 3.27Å; V22-E24 PolarHBondContact O-N 3.28Å; E24-P114 HydrophobicContact CB-CG 4.06Å; E24-P114 HydrophobicContact CG-CG 4.39Å; E24-P114 VanDerWaalsContact OE2-CB 3.31Å; E24-P114 WeakPolarHBondContact OE2-CB 3.41Å; E24-P114 WeakPolarHBondContact OE2-CG 3.39Å
25W60.6Low58.9Low16 Ų1647.1 Ų47.16%0.06121%0.206CC..Hα-helixtrans-88.7-22.9-179.4-67.4108.6000113.9I21 V22 D23 R27 N28 F31 P114 I145I21-W25 HydrophobicContact CG2-CB 3.85Å; V22-W25 WeakPolarHBondContact O-CB 3.4Å; V22-W25 PolarHBondContact O-N 2.73Å; D23-W25 PolarHBondContact O-N 2.93Å; D23-W25 VanDerWaalsContact O-N 3.09Å; W25-R27 PolarHBondContact O-N 3.17Å; W25-N28 HydrophobicContact CE3-CB 4.01Å; W25-N28 HydrophobicContact CZ3-CB 4.43Å; W25-N28 WeakPolarHBondContact CZ3-ND2 3.49Å; W25-N28 PolarHBondContact O-N 3.39Å; W25-F31 HydrophobicContact CB-CD1 3.73Å; W25-F31 HydrophobicContact CB-CE1 3.95Å; W25-F31 HydrophobicContact CB-CG 4.07Å; W25-F31 HydrophobicContact CB-CZ 4.46Å; W25-F31 HydrophobicContact CD2-CD2 4.43Å; W25-F31 HydrophobicContact CD2-CG 4.38Å; W25-F31 HydrophobicContact CE3-CB 3.67Å; W25-F31 HydrophobicContact CE3-CD2 4.06Å; W25-F31 AromaticContact CE3-CG 3.86Å; W25-F31 HydrophobicContact CE3-CG 3.86Å; W25-F31 HydrophobicContact CG-CG 4.48Å; W25-F31 HydrophobicContact CZ3-CB 4.32Å; W25-P114 HydrophobicContact CZ2-CB 4.2Å; W25-P114 VanDerWaalsContact NE1-CD 3.3Å; W25-P114 VanDerWaalsContact NE1-CG 3.29Å; W25-P114 VanDerWaalsContact NE1-N 3.19Å; W25-I145 HydrophobicContact CD2-CD1 3.9Å; W25-I145 HydrophobicContact CE3-CD1 4.07Å; W25-I145 HydrophobicContact CE3-CG2 4.43Å; W25-I145 HydrophobicContact CG-CD1 4.47Å; W25-I145 HydrophobicContact CH2-CB 3.57Å; W25-I145 HydrophobicContact CH2-CD1 4.38Å; W25-I145 HydrophobicContact CH2-CG2 3.12Å; W25-I145 HydrophobicContact CZ2-CB 3.33Å; W25-I145 HydrophobicContact CZ2-CD1 4.23Å; W25-I145 HydrophobicContact CZ2-CG1 4.32Å; W25-I145 HydrophobicContact CZ2-CG2 3.51Å; W25-I145 WeakPolarHBondContact CZ2-O 3.2Å; W25-I145 HydrophobicContact CZ3-CB 4.25Å; W25-I145 HydrophobicContact CZ3-CD1 4.27Å; W25-I145 HydrophobicContact CZ3-CG2 3.62Å
26I59.8Low59.6Low6 Ų646.4 Ų46.43%0.03121%0.205CC..Hα-helixtrans-60.1-32.7179.7-58.4179.3000110.6I21 D23 L54 V81 F84 Q85I21-I26 HydrophobicContact CG2-CG1 3.81Å; D23-I26 WeakPolarHBondContact O-CB 3.45Å; D23-I26 PolarHBondContact O-N 3.28Å; D23-I26 VanDerWaalsContact O-N 3.07Å; I26-L54 HydrophobicContact CD1-CB 4.3Å; I26-L54 HydrophobicContact CD1-CD2 4Å; I26-L54 HydrophobicContact CG1-CD2 4.31Å; I26-V81 HydrophobicContact CG2-CG1 4.14Å; I26-F84 HydrophobicContact CG2-CB 4.42Å; I26-Q85 PolarHBondContact O-NE2 3.46Å
27R58.8Low59.9Low166 Ų16651.6 Ų51.663%0.62623%0.231SC*.THydrogen-bonded Turntrans-84-11.5178.7-60-177.3-179.2-169.3-1.5113.5W25 Y29W25-R27 PolarHBondContact O-N 3.17Å; R27-Y29 PolarHBondContact O-N 2.81Å
28N58.5Low59.9Low53 Ų5352.3 Ų52.328%0.28324%0.237SC..  trans-88.5104.4-176.1-170.2-30.5000111.7W25 Y30 F31 L32W25-N28 HydrophobicContact CE3-CB 4.01Å; W25-N28 HydrophobicContact CZ3-CB 4.43Å; W25-N28 WeakPolarHBondContact CZ3-ND2 3.49Å; W25-N28 PolarHBondContact O-N 3.39Å; N28-Y30 VanDerWaalsContact C-N 3.28Å; N28-Y30 PolarHBondContact O-N 3.42Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.33Å; N28-Y30 PolarHBondContact OD1-N 3.19Å; N28-F31 HydrophobicContact CB-CB 3.91Å; N28-F31 WeakPolarHBondContact O-CB 3.32Å; N28-F31 PolarHBondContact O-N 3.09Å; N28-F31 VanDerWaalsContact O-N 3.1Å; N28-F31 PolarHBondContact OD1-N 3.2Å; N28-L32 PolarHBondContact O-N 2.89Å; N28-L32 VanDerWaalsContact O-N 3.09Å
29Y60.1Low60Low136 Ų13652.2 Ų52.253%0.53324%0.237SC..Hα-helixtrans-56.9-38.8178.9179.8-102.1000113.4R27 F31 L32 N33R27-Y29 PolarHBondContact O-N 2.81Å; Y29-F31 VanDerWaalsContact C-N 3.32Å; Y29-F31 PolarHBondContact O-N 3.34Å; Y29-L32 PolarHBondContact O-N 3.24Å; Y29-N33 WeakPolarHBondContact CE1-ND2 3.28Å; Y29-N33 PolarHBondContact O-N 3.08Å; Y29-N33 VanDerWaalsContact O-N 3.11Å; Y29-N33 PolarHBondContact OH-ND2 3.17Å
30Y56.5Low60.1Low190 Ų19054.4 Ų54.475%0.74525%0.248SC*.Hα-helixtrans-65.1-39.4177.9-68.3-83.2000111.3N28 N33 L34N28-Y30 VanDerWaalsContact C-N 3.28Å; N28-Y30 PolarHBondContact O-N 3.42Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.33Å; N28-Y30 PolarHBondContact OD1-N 3.19Å; Y30-N33 PolarHBondContact O-N 3.42Å; Y30-L34 WeakPolarHBondContact O-CB 3.39Å; Y30-L34 PolarHBondContact O-N 3.27Å
31F59.8Low60.1Low6 Ų657.7 Ų57.73%0.02626%0.263CS..Hα-helixtrans-63.6-46.9175.6172.4-102000112.1I21 W25 N28 Y29 N33 L34 L35 F112 I145I21-F31 HydrophobicContact CB-CE1 4.47Å; I21-F31 HydrophobicContact CD1-CE1 4.14Å; I21-F31 HydrophobicContact CG1-CE1 4.11Å; I21-F31 HydrophobicContact CG1-CZ 4.34Å; I21-F31 HydrophobicContact CG2-CD1 4.4Å; I21-F31 HydrophobicContact CG2-CE1 3.58Å; I21-F31 HydrophobicContact CG2-CZ 4.23Å; W25-F31 HydrophobicContact CB-CD1 3.73Å; W25-F31 HydrophobicContact CB-CE1 3.95Å; W25-F31 HydrophobicContact CB-CG 4.07Å; W25-F31 HydrophobicContact CB-CZ 4.46Å; W25-F31 HydrophobicContact CD2-CD2 4.43Å; W25-F31 HydrophobicContact CD2-CG 4.38Å; W25-F31 HydrophobicContact CE3-CB 3.67Å; W25-F31 HydrophobicContact CE3-CD2 4.06Å; W25-F31 AromaticContact CE3-CG 3.86Å; W25-F31 HydrophobicContact CE3-CG 3.86Å; W25-F31 HydrophobicContact CG-CG 4.48Å; W25-F31 HydrophobicContact CZ3-CB 4.32Å; N28-F31 HydrophobicContact CB-CB 3.91Å; N28-F31 WeakPolarHBondContact O-CB 3.32Å; N28-F31 PolarHBondContact O-N 3.09Å; N28-F31 VanDerWaalsContact O-N 3.1Å; N28-F31 PolarHBondContact OD1-N 3.2Å; Y29-F31 VanDerWaalsContact C-N 3.32Å; Y29-F31 PolarHBondContact O-N 3.34Å; F31-N33 VanDerWaalsContact C-N 3.27Å; F31-N33 PolarHBondContact O-N 3.16Å; F31-L34 CarbonylContact O-C 3.58Å; F31-L34 WeakPolarHBondContact O-CB 3.42Å; F31-L34 PolarHBondContact O-N 3.37Å; F31-L34 VanDerWaalsContact O-N 3.11Å; F31-L35 HydrophobicContact CE1-CB 4.43Å; F31-L35 HydrophobicContact CE1-CD2 4.05Å; F31-L35 HydrophobicContact CZ-CB 4.36Å; F31-L35 HydrophobicContact CZ-CD1 4.47Å; F31-L35 HydrophobicContact CZ-CD2 4.24Å; F31-L35 VanDerWaalsContact O-CB 3.28Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.38Å; F31-F112 HydrophobicContact CE2-CB 4.03Å; F31-F112 AromaticContact CE2-CD1 3.53Å; F31-F112 HydrophobicContact CE2-CD1 3.53Å; F31-F112 HydrophobicContact CE2-CE1 4.07Å; F31-F112 AromaticContact CE2-CG 3.87Å; F31-F112 HydrophobicContact CE2-CG 3.87Å; F31-F112 HydrophobicContact CZ-CB 3.81Å; F31-F112 AromaticContact CZ-CD1 3.91Å; F31-F112 HydrophobicContact CZ-CD1 3.91Å; F31-F112 HydrophobicContact CZ-CD2 4.33Å; F31-F112 HydrophobicContact CZ-CE1 4.49Å; F31-F112 AromaticContact CZ-CG 3.77Å; F31-F112 HydrophobicContact CZ-CG 3.77Å; F31-I145 HydrophobicContact CD2-CD1 3.38Å; F31-I145 HydrophobicContact CE2-CD1 3.38Å; F31-I145 HydrophobicContact CG-CD1 4.5Å; F31-I145 HydrophobicContact CZ-CD1 4.5Å
32L62.7Low59.7Low2 Ų259 Ų591%0.0127%0.27CS..Hα-helixtrans-62.3-35.9179.6-67177000112.2N28 Y29 K36 L78 V81 K82N28-L32 PolarHBondContact O-N 2.89Å; N28-L32 VanDerWaalsContact O-N 3.09Å; Y29-L32 PolarHBondContact O-N 3.24Å; L32-K36 WeakPolarHBondContact O-CB 3.49Å; L32-K36 PolarHBondContact O-N 3.2Å; L32-L78 HydrophobicContact CD2-CD2 4.48Å; L32-V81 HydrophobicContact CD2-CG1 3.83Å; L32-K82 HydrophobicContact CD1-CD 4.39Å; L32-K82 HydrophobicContact CD1-CG 3.65Å
33N61.3Low59.4Low54 Ų5458.5 Ų58.529%0.28927%0.267SS..Hα-helixtrans-68.7-42.1172.4-82.7-16.5000112.4Y29 Y30 F31 L35 K36 L37Y29-N33 WeakPolarHBondContact CE1-ND2 3.28Å; Y29-N33 PolarHBondContact O-N 3.08Å; Y29-N33 VanDerWaalsContact O-N 3.11Å; Y29-N33 PolarHBondContact OH-ND2 3.17Å; Y30-N33 PolarHBondContact O-N 3.42Å; F31-N33 VanDerWaalsContact C-N 3.27Å; F31-N33 PolarHBondContact O-N 3.16Å; N33-L35 VanDerWaalsContact C-N 3.32Å; N33-L35 PolarHBondContact O-N 3.03Å; N33-K36 WeakPolarHBondContact O-CB 3.37Å; N33-K36 PolarHBondContact O-N 3.39Å; N33-L37 WeakPolarHBondContact O-CG 3.24Å; N33-L37 PolarHBondContact O-N 2.89Å
34L57.8Low59.6Low71 Ų7161.6 Ų61.637%0.37228%0.279SS..Hα-helixtrans-62.3-41.6175.1-172.176.8000111.2Y30 F31 L37 S38Y30-L34 WeakPolarHBondContact O-CB 3.39Å; Y30-L34 PolarHBondContact O-N 3.27Å; F31-L34 CarbonylContact O-C 3.58Å; F31-L34 WeakPolarHBondContact O-CB 3.42Å; F31-L34 PolarHBondContact O-N 3.37Å; F31-L34 VanDerWaalsContact O-N 3.11Å; L34-L37 PolarHBondContact O-N 2.9Å; L34-S38 VanDerWaalsContact O-CB 3.23Å; L34-S38 WeakPolarHBondContact O-CB 3.19Å; L34-S38 PolarHBondContact O-N 3.42Å; L34-S38 PolarHBondContact O-OG 2.85Å
35L61.3Low59.3Low1 Ų164 Ų641%0.00530%0.296CS..Hα-helixtrans-62.4-46.1176.3-178.564.1000110.3I19 I21 F31 N33 L37 S38 L39 L78 F112I19-L35 HydrophobicContact CD1-CD1 3.84Å; I19-L35 HydrophobicContact CG2-CD1 4.19Å; I21-L35 HydrophobicContact CD1-CD2 3.5Å; I21-L35 VanDerWaalsContact CD1-CD2 3.5Å; I21-L35 HydrophobicContact CG1-CD2 4.31Å; F31-L35 HydrophobicContact CE1-CB 4.43Å; F31-L35 HydrophobicContact CE1-CD2 4.05Å; F31-L35 HydrophobicContact CZ-CB 4.36Å; F31-L35 HydrophobicContact CZ-CD1 4.47Å; F31-L35 HydrophobicContact CZ-CD2 4.24Å; F31-L35 VanDerWaalsContact O-CB 3.28Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.38Å; N33-L35 VanDerWaalsContact C-N 3.32Å; N33-L35 PolarHBondContact O-N 3.03Å; L35-L37 PolarHBondContact O-N 3.05Å; L35-S38 PolarHBondContact O-N 2.81Å; L35-L39 HydrophobicContact CD1-CD1 4.16Å; L35-L39 HydrophobicContact CD1-CG 4.28Å; L35-L39 HydrophobicContact CG-CD1 4Å; L35-L39 HydrophobicContact CG-CG 4.5Å; L35-L39 VanDerWaalsContact O-CB 3.28Å; L35-L39 WeakPolarHBondContact O-CB 3.16Å; L35-L39 VanDerWaalsContact O-CG 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.36Å; L35-L39 PolarHBondContact O-N 3.38Å; L35-L78 HydrophobicContact CD2-CD2 3.6Å; L35-L78 HydrophobicContact CG-CD2 4.09Å; L35-F112 HydrophobicContact CD1-CE2 4.01Å; L35-F112 HydrophobicContact CD1-CZ 3.96Å
36K65Low59.1Low59 Ų5967.4 Ų67.426%0.25731%0.311SS..Hα-helixtrans-54.6-51.6173.2-171.7-175.5170.4-172.10111.8L32 N33 L39 L40 L78L32-K36 WeakPolarHBondContact O-CB 3.49Å; L32-K36 PolarHBondContact O-N 3.2Å; N33-K36 WeakPolarHBondContact O-CB 3.37Å; N33-K36 PolarHBondContact O-N 3.39Å; K36-L39 PolarHBondContact O-N 3.25Å; K36-L40 HydrophobicContact CG-CD1 3.95Å; K36-L40 WeakPolarHBondContact O-CB 3.4Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.43Å; K36-L40 PolarHBondContact O-N 2.79Å; K36-L78 HydrophobicContact CB-CD1 3.41Å; K36-L78 VanDerWaalsContact CB-CD1 3.41Å; K36-L78 HydrophobicContact CD-CD1 4.39Å; K36-L78 HydrophobicContact CG-CD1 3.71Å
37L61.1Low58.9Low115 Ų11575.3 Ų75.360%0.60235%0.345SS*.Hα-helixtrans-64.8-41.8-178.7-70.2171.5000111.4N33 L34 L35 K41N33-L37 WeakPolarHBondContact O-CG 3.24Å; N33-L37 PolarHBondContact O-N 2.89Å; L34-L37 PolarHBondContact O-N 2.9Å; L35-L37 PolarHBondContact O-N 3.05Å; L37-K41 VanDerWaalsContact O-CB 3.23Å; L37-K41 WeakPolarHBondContact O-CB 3.45Å; L37-K41 PolarHBondContact O-N 3.43Å
38S59.4Low58.9Low25 Ų2568 Ų6818%0.17532%0.318CS..Hα-helixtrans-62.3-44.1177-62.90000111.4L34 L35 K41 L42L34-S38 VanDerWaalsContact O-CB 3.23Å; L34-S38 WeakPolarHBondContact O-CB 3.19Å; L34-S38 PolarHBondContact O-N 3.42Å; L34-S38 PolarHBondContact O-OG 2.85Å; L35-S38 PolarHBondContact O-N 2.81Å; S38-K41 PolarHBondContact O-N 3.15Å; S38-L42 VanDerWaalsContact O-CB 3.32Å; S38-L42 WeakPolarHBondContact O-CB 3.46Å; S38-L42 WeakPolarHBondContact O-CD1 3.47Å; S38-L42 WeakPolarHBondContact O-CG 3.23Å; S38-L42 PolarHBondContact O-N 2.78Å
39L59.7Low58.9Low2 Ų272 Ų721%0.0133%0.328CS..Hα-helixtrans-66.5-50.9178.1-79.5174.3000111.8I19 L35 K36 K41 L42 I43 F50 I74I19-L39 HydrophobicContact CD1-CD1 4.12Å; I19-L39 HydrophobicContact CD1-CD2 3.4Å; I19-L39 VanDerWaalsContact CD1-CD2 3.4Å; I19-L39 HydrophobicContact CD1-CG 3.98Å; L35-L39 HydrophobicContact CD1-CD1 4.16Å; L35-L39 HydrophobicContact CD1-CG 4.28Å; L35-L39 HydrophobicContact CG-CD1 4Å; L35-L39 HydrophobicContact CG-CG 4.5Å; L35-L39 VanDerWaalsContact O-CB 3.28Å; L35-L39 WeakPolarHBondContact O-CB 3.16Å; L35-L39 VanDerWaalsContact O-CG 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.36Å; L35-L39 PolarHBondContact O-N 3.38Å; K36-L39 PolarHBondContact O-N 3.25Å; L39-K41 PolarHBondContact O-N 2.87Å; L39-L42 WeakPolarHBondContact O-CB 3.33Å; L39-L42 PolarHBondContact O-N 3.21Å; L39-L42 VanDerWaalsContact O-N 3.13Å; L39-I43 HydrophobicContact CB-CD1 4.23Å; L39-I43 HydrophobicContact CD2-CD1 4.37Å; L39-I43 VanDerWaalsContact O-CB 3.29Å; L39-I43 WeakPolarHBondContact O-CB 3.22Å; L39-I43 VanDerWaalsContact O-CD1 3.23Å; L39-I43 WeakPolarHBondContact O-CD1 3.48Å; L39-I43 WeakPolarHBondContact O-CG1 3.25Å; L39-I43 PolarHBondContact O-N 2.99Å; L39-F50 HydrophobicContact CD1-CE2 4.42Å; L39-F50 HydrophobicContact CD1-CZ 3.89Å; L39-F50 HydrophobicContact CD2-CE2 3.94Å; L39-F50 HydrophobicContact CD2-CZ 4.24Å; L39-I74 HydrophobicContact CB-CD1 4.41Å; L39-I74 HydrophobicContact CB-CG2 4.12Å; L39-I74 HydrophobicContact CD1-CG2 4.06Å
40L62.9Low59.1Low49 Ų4965.7 Ų65.726%0.25730%0.304SS..Hα-helixtrans-55.3-39.3176.6-74.1170000111.5K36 H44 E71 I74K36-L40 HydrophobicContact CG-CD1 3.95Å; K36-L40 WeakPolarHBondContact O-CB 3.4Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.43Å; K36-L40 PolarHBondContact O-N 2.79Å; L40-H44 PolarHBondContact O-N 3.34Å; L40-E71 HydrophobicContact CD2-CB 3.8Å; L40-E71 HydrophobicContact CD2-CG 3.86Å; L40-I74 HydrophobicContact CD2-CD1 3.76Å; L40-I74 HydrophobicContact CG-CD1 4.28Å
41K60.8Low59.2Low88 Ų8857.1 Ų57.138%0.38327%0.271SS..Hα-helixtrans-69-49175.4-169.2176.9-178.6-179.50112.1E6 L37 S38 L39 I43 H44E6-K41 PolarHBondContact O-NZ 3.41Å; L37-K41 VanDerWaalsContact O-CB 3.23Å; L37-K41 WeakPolarHBondContact O-CB 3.45Å; L37-K41 PolarHBondContact O-N 3.43Å; S38-K41 PolarHBondContact O-N 3.15Å; L39-K41 PolarHBondContact O-N 2.87Å; K41-I43 PolarHBondContact O-N 2.94Å; K41-H44 PolarHBondContact O-CD2 3.05Å; K41-H44 VanDerWaalsContact O-CG 3.25Å; K41-H44 PolarHBondContact O-N 3.44Å; K41-H44 PolarHBondContact O-NE2 2.78Å; K41-H44 VanDerWaalsContact O-NE2 3.16Å
42L52Low59.2Low27 Ų2756.9 Ų56.914%0.14127%0.27CS..Hα-helixtrans-53.6-40177.1-94.3152.5000112.1L9 S38 L39L9-L42 HydrophobicContact CD1-CD2 4.49Å; L9-L42 HydrophobicContact CD1-CG 4.15Å; L9-L42 HydrophobicContact CD2-CD2 3.95Å; L9-L42 HydrophobicContact CD2-CG 4.49Å; S38-L42 VanDerWaalsContact O-CB 3.32Å; S38-L42 WeakPolarHBondContact O-CB 3.46Å; S38-L42 WeakPolarHBondContact O-CD1 3.47Å; S38-L42 WeakPolarHBondContact O-CG 3.23Å; S38-L42 PolarHBondContact O-N 2.78Å; L39-L42 WeakPolarHBondContact O-CB 3.33Å; L39-L42 PolarHBondContact O-N 3.21Å; L39-L42 VanDerWaalsContact O-N 3.13Å
43I54Low59Low4 Ų457 Ų572%0.02127%0.272CS..Hα-helixtrans-81.2-33-168.7-70161.2000111L39 K41 N45 K46 Y48 C69 I74L39-I43 HydrophobicContact CB-CD1 4.23Å; L39-I43 HydrophobicContact CD2-CD1 4.37Å; L39-I43 VanDerWaalsContact O-CB 3.29Å; L39-I43 WeakPolarHBondContact O-CB 3.22Å; L39-I43 VanDerWaalsContact O-CD1 3.23Å; L39-I43 WeakPolarHBondContact O-CD1 3.48Å; L39-I43 WeakPolarHBondContact O-CG1 3.25Å; L39-I43 PolarHBondContact O-N 2.99Å; K41-I43 PolarHBondContact O-N 2.94Å; I43-N45 PolarHBondContact O-N 3.08Å; I43-K46 WeakPolarHBondContact CG2-O 2.74Å; I43-K46 VanDerWaalsContact O-CB 3.32Å; I43-K46 WeakPolarHBondContact O-CB 2.85Å; I43-K46 PolarHBondContact O-N 2.62Å; I43-Y48 HydrophobicContact CB-CD2 4.35Å; I43-Y48 HydrophobicContact CG1-CD2 4.04Å; I43-Y48 HydrophobicContact CG2-CD2 4.26Å; I43-C69 HydrophobicContact CB-CB 4.43Å; I43-C69 HydrophobicContact CD1-CB 3.44Å; I43-C69 VanDerWaalsContact CD1-CB 3.44Å; I43-C69 WeakPolarHBondContact CD1-SG 3.39Å; I43-C69 HydrophobicContact CG1-CB 3.72Å; I43-C69 HydrophobicContact CG2-CB 3.81Å; I43-C69 WeakPolarHBondContact CG2-O 3.23Å; I43-I74 HydrophobicContact CD1-CD1 3.3Å; I43-I74 HydrophobicContact CD1-CG1 3.81Å
44H60.9Low58.8Low116 Ų11654.5 Ų54.554%0.53726%0.258SS..THydrogen-bonded Turntrans44.439.7179.3-76.8-65.7000113.2L40 K41 K46L40-H44 PolarHBondContact O-N 3.34Å; K41-H44 PolarHBondContact O-CD2 3.05Å; K41-H44 VanDerWaalsContact O-CG 3.25Å; K41-H44 PolarHBondContact O-N 3.44Å; K41-H44 PolarHBondContact O-NE2 2.78Å; K41-H44 VanDerWaalsContact O-NE2 3.16Å; H44-K46 PolarHBondContact O-N 3.07Å
45N51.7Low58.7Low158 Ų15851.5 Ų51.585%0.84524%0.243SC*.THydrogen-bonded Turntrans6116.5-174.1-57.7-24.1000116.1I43I43-N45 PolarHBondContact O-N 3.08Å
46K56.3Low58.1Low88 Ų8852.6 Ų52.638%0.38325%0.252SS..  trans-89.8141.6173.1-62.3-176.6178.8-178.90110.8I43 H44 Y48I43-K46 WeakPolarHBondContact CG2-O 2.74Å; I43-K46 VanDerWaalsContact O-CB 3.32Å; I43-K46 WeakPolarHBondContact O-CB 2.85Å; I43-K46 PolarHBondContact O-N 2.62Å; H44-K46 PolarHBondContact O-N 3.07Å; K46-Y48 HydrophobicContact CB-CD2 4.27Å; K46-Y48 HydrophobicContact CB-CE2 3.62Å; K46-Y48 VanDerWaalsContact O-CD2 3.27Å; K46-Y48 WeakPolarHBondContact O-CD2 3.27Å; K46-Y48 PolarHBondContact O-N 2.77Å
47K56.1Low57.2Low171 Ų17155 Ų5574%0.74327%0.267SS*.  trans-75.2108.9177.4-64.1-173.8177.6-178.60110.5I68K47-I68 HydrophobicContact CB-CG2 3.77Å; K47-I68 HydrophobicContact CD-CG2 3.9Å; K47-I68 HydrophobicContact CG-CG2 3.57Å
48Y60.2Low56.3Low14 Ų1453.8 Ų53.86%0.05526%0.262CS..  trans-109.2151.2167.6-61.4-85.4000109.8I12 I17 I43 K46 I68 C69I12-Y48 WeakPolarHBondContact O-CE1 3.42Å; I12-Y48 PolarHBondContact O-OH 3.02Å; I17-Y48 HydrophobicContact CD1-CD1 4.23Å; I17-Y48 HydrophobicContact CD1-CG 4.16Å; I43-Y48 HydrophobicContact CB-CD2 4.35Å; I43-Y48 HydrophobicContact CG1-CD2 4.04Å; I43-Y48 HydrophobicContact CG2-CD2 4.26Å; K46-Y48 HydrophobicContact CB-CD2 4.27Å; K46-Y48 HydrophobicContact CB-CE2 3.62Å; K46-Y48 VanDerWaalsContact O-CD2 3.27Å; K46-Y48 WeakPolarHBondContact O-CD2 3.27Å; K46-Y48 PolarHBondContact O-N 2.77Å; Y48-I68 WeakPolarHBondContact O-CA 3.34Å; Y48-C69 HydrophobicContact CD2-CB 4.35Å; Y48-C69 WeakPolarHBondContact O-CB 3.33Å; Y48-C69 PolarHBondContact O-N 2.99Å
49R57.2Low55.6Low135 Ų13557.6 Ų57.651%0.50929%0.286SS..EExtended strand (participates in β ladder)trans-86.8125.1168.8-73.9-174.8-179.4179.3-2.4107.9T16 I17 F66T16-R49 CarbonylContact C-O 3.59Å; T16-R49 VanDerWaalsContact CA-O 3.28Å; T16-R49 WeakPolarHBondContact CA-O 3.47Å; T16-R49 HydrophobicContact CG2-CB 4.43Å; I17-R49 PolarHBondContact N-O 3.06Å; R49-F66 HydrophobicContact CB-CD1 4.05Å
50F64.2Low55Low5 Ų558.6 Ų58.62%0.02229%0.292CS..EExtended strand (participates in β ladder)trans-134.2130.2-168.8168.5-102.5000112.8I17 I19 L39 I52 I67 C69I17-F50 HydrophobicContact CB-CD2 4.17Å; I17-F50 HydrophobicContact CG2-CD2 4.11Å; I17-F50 HydrophobicContact CG2-CE2 4.48Å; I17-F50 WeakPolarHBondContact O-CA 3.27Å; I19-F50 HydrophobicContact CB-CE2 3.89Å; I19-F50 HydrophobicContact CB-CZ 4.24Å; I19-F50 HydrophobicContact CD1-CE2 3.49Å; I19-F50 VanDerWaalsContact CD1-CE2 3.49Å; I19-F50 HydrophobicContact CD1-CZ 3.99Å; I19-F50 HydrophobicContact CG1-CE2 3.62Å; I19-F50 HydrophobicContact CG1-CZ 4.32Å; L39-F50 HydrophobicContact CD1-CE2 4.42Å; L39-F50 HydrophobicContact CD1-CZ 3.89Å; L39-F50 HydrophobicContact CD2-CE2 3.94Å; L39-F50 HydrophobicContact CD2-CZ 4.24Å; F50-I52 HydrophobicContact CD1-CG1 4.25Å; F50-I52 HydrophobicContact CE1-CD1 3.57Å; F50-I52 HydrophobicContact CE1-CG1 3.24Å; F50-I52 HydrophobicContact CE2-CG1 4.26Å; F50-I52 HydrophobicContact CZ-CD1 3.68Å; F50-I52 HydrophobicContact CZ-CG1 3.25Å; F50-I67 PolarHBondContact N-O 3.1Å; F50-C69 WeakPolarHBondContact CB-SG 3.49Å
51N58.1Low54.3Low9 Ų959.1 Ų59.15%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-120.9136.2178.6-64.7-11.8000109.5I17 M18 I19 F66 F101I17-N51 PolarHBondContact O-N 3.33Å; M18-N51 WeakPolarHBondContact CA-O 3.38Å; I19-N51 PolarHBondContact N-O 2.94Å; N51-F66 WeakPolarHBondContact ND2-CE1 3.44Å; N51-F101 HydrophobicContact CB-CE1 4.14Å; N51-F101 HydrophobicContact CB-CZ 3.81Å; N51-F101 VanDerWaalsContact ND2-CE1 3.27Å; N51-F101 WeakPolarHBondContact ND2-CE1 3.35Å; N51-F101 VanDerWaalsContact ND2-CZ 3.33Å; N51-F101 WeakPolarHBondContact ND2-CZ 3.47Å
52I60.4Low53.7Low2 Ų256.9 Ų56.91%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-104.8126.9169.3-57.2-174.1000108.2I19 I21 F50 L54 C63 W80 V81I19-I52 WeakPolarHBondContact O-CA 3.48Å; I21-I52 HydrophobicContact CD1-CG2 4.27Å; F50-I52 HydrophobicContact CD1-CG1 4.25Å; F50-I52 HydrophobicContact CE1-CD1 3.57Å; F50-I52 HydrophobicContact CE1-CG1 3.24Å; F50-I52 HydrophobicContact CE2-CG1 4.26Å; F50-I52 HydrophobicContact CZ-CD1 3.68Å; F50-I52 HydrophobicContact CZ-CG1 3.25Å; I52-L54 HydrophobicContact CG2-CD2 3.89Å; I52-L54 HydrophobicContact CG2-CG 4.2Å; I52-C63 PolarHBondContact O-N 3.09Å; I52-W80 HydrophobicContact CG2-CZ3 4.49Å; I52-V81 HydrophobicContact CD1-CG2 3.79Å; I52-V81 HydrophobicContact CG2-CG2 3.9Å
53A58.7Low53.6Low5 Ų556.7 Ų56.74%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-104.7128.3167.700000108.5I19 W20 I21 T60 F62I19-A53 PolarHBondContact O-N 3.18Å; W20-A53 WeakPolarHBondContact CA-O 3.38Å; W20-A53 HydrophobicContact CB-CB 4.47Å; I21-A53 PolarHBondContact N-O 3.31Å; A53-T60 HydrophobicContact CB-CG2 3.72Å; A53-F62 HydrophobicContact CB-CD1 4.09Å; A53-F62 HydrophobicContact CB-CE1 3.83Å
54L56.2Low53.2Low1 Ų165.2 Ų65.21%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-110.1121171.5-60.4177.9000107.8I21 I26 I52 A56 T60 W80 V81 F84I21-L54 HydrophobicContact CB-CD2 3.91Å; I21-L54 HydrophobicContact CD1-CD2 4.03Å; I21-L54 HydrophobicContact CG1-CD2 4.34Å; I26-L54 HydrophobicContact CD1-CB 4.3Å; I26-L54 HydrophobicContact CD1-CD2 4Å; I26-L54 HydrophobicContact CG1-CD2 4.31Å; I52-L54 HydrophobicContact CG2-CD2 3.89Å; I52-L54 HydrophobicContact CG2-CG 4.2Å; L54-A56 PolarHBondContact O-N 3.38Å; L54-T60 WeakPolarHBondContact O-CG2 3.35Å; L54-W80 HydrophobicContact CD1-CE3 4.12Å; L54-W80 HydrophobicContact CD1-CH2 3.91Å; L54-W80 HydrophobicContact CD1-CZ3 3.45Å; L54-W80 VanDerWaalsContact CD1-CZ3 3.45Å; L54-W80 HydrophobicContact CG-CH2 4.34Å; L54-W80 HydrophobicContact CG-CZ3 3.88Å; L54-V81 HydrophobicContact CD1-CB 4.46Å; L54-V81 HydrophobicContact CD1-CG1 4.36Å; L54-V81 HydrophobicContact CD1-CG2 4.24Å; L54-V81 HydrophobicContact CD2-CG1 3.93Å; L54-V81 HydrophobicContact CD2-CG2 4.03Å; L54-F84 HydrophobicContact CD1-CB 4.37Å; L54-F84 HydrophobicContact CD1-CD1 4.37Å; L54-F84 HydrophobicContact CD1-CD2 3.35Å; L54-F84 HydrophobicContact CD1-CE2 3.68Å; L54-F84 HydrophobicContact CD1-CG 3.77Å; L54-F84 HydrophobicContact CD1-CZ 4.31Å
55S56.7Low52.6Low7 Ų766.5 Ų66.55%0.04933%0.334CS..EExtended strand (participates in β ladder)trans-83.893.6163.41760000106I21I21-S55 PolarHBondContact O-N 3.06Å
56A49.5Very low52.7Low25 Ų2563.9 Ų63.921%0.20732%0.315CS..  trans-71.8170.4152.500000108.5D23 L54 N58D23-A56 VanDerWaalsContact OD1-CA 3.28Å; D23-A56 WeakPolarHBondContact OD1-CA 3.42Å; D23-A56 WeakPolarHBondContact OD2-CA 3.28Å; L54-A56 PolarHBondContact O-N 3.38Å; A56-N58 PolarHBondContact O-N 2.9Å
57L45.6Very low52.6Low108 Ų10860.9 Ų60.957%0.56530%0.303SS*.SBendtrans-55.73.3163.6-70.5163.9000114.1D23D23-L57 PolarHBondContact OD2-N 3.19Å
58N41.6Very low52.8Low91 Ų9156.2 Ų56.249%0.48729%0.286SS..SBendtrans-122.6159.4178.4-79.9-26.3000110.5A56 T60A56-N58 PolarHBondContact O-N 2.9Å; N58-T60 PolarHBondContact O-N 2.88Å
59P43.9Very low53.1Low105 Ų10555.7 Ų55.768%0.68228%0.284SS*.SBendtrans-50.8136.7177.719.5-31.6000111.2T61P59-T61 PolarHBondContact O-N 3.21Å
60T48.5Very low53.5Low22 Ų2252.3 Ų52.314%0.13528%0.276CS..  trans-45.8121.2-168.7-26.50000111.8A53 L54 N58 F62 F96A53-T60 HydrophobicContact CB-CG2 3.72Å; L54-T60 WeakPolarHBondContact O-CG2 3.35Å; N58-T60 PolarHBondContact O-N 2.88Å; T60-F62 HydrophobicContact CG2-CD1 4.31Å; T60-F62 HydrophobicContact CG2-CE1 3.95Å; T60-F62 HydrophobicContact CG2-CE2 4.4Å; T60-F62 HydrophobicContact CG2-CZ 4.01Å; T60-F62 PolarHBondContact O-N 3.07Å; T60-F96 HydrophobicContact CG2-CD1 4.49Å; T60-F96 HydrophobicContact CG2-CE1 3.95Å; T60-F96 WeakPolarHBondContact OG1-CD1 3.3Å; T60-F96 WeakPolarHBondContact OG1-CE1 3.19Å
61T46.6Very low53.8Low60 Ų6056.3 Ų56.337%0.36830%0.295SS..EExtended strand (participates in β ladder)trans-79.4111.4161.445.40000107.8P59 F84P59-T61 PolarHBondContact O-N 3.21Å; T61-F84 HydrophobicContact CG2-CE1 4.39Å
62F48.3Very low54.5Low42 Ų4263.5 Ų63.518%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-80.7141.4167.5-65.8-70.9000109.4A53 T60 E64 F101A53-F62 HydrophobicContact CB-CD1 4.09Å; A53-F62 HydrophobicContact CB-CE1 3.83Å; T60-F62 HydrophobicContact CG2-CD1 4.31Å; T60-F62 HydrophobicContact CG2-CE1 3.95Å; T60-F62 HydrophobicContact CG2-CE2 4.4Å; T60-F62 HydrophobicContact CG2-CZ 4.01Å; T60-F62 PolarHBondContact O-N 3.07Å; F62-E64 VanDerWaalsContact C-N 3.32Å; F62-E64 PolarHBondContact O-N 3.07Å; F62-E64 VanDerWaalsContact O-N 3.07Å; F62-F101 HydrophobicContact CD1-CD2 4.38Å; F62-F101 AromaticContact CD1-CE2 3.34Å; F62-F101 HydrophobicContact CD1-CE2 3.34Å; F62-F101 AromaticContact CD1-CZ 3.93Å; F62-F101 HydrophobicContact CD1-CZ 3.93Å; F62-F101 HydrophobicContact CD2-CE2 4.45Å; F62-F101 AromaticContact CE1-CD2 3.87Å; F62-F101 HydrophobicContact CE1-CD2 3.87Å; F62-F101 AromaticContact CE1-CE2 3.15Å; F62-F101 HydrophobicContact CE1-CE2 3.15Å; F62-F101 AromaticContact CE1-CZ 3.95Å; F62-F101 HydrophobicContact CE1-CZ 3.95Å; F62-F101 HydrophobicContact CE2-CE2 4.32Å; F62-F101 AromaticContact CG-CE2 3.99Å; F62-F101 HydrophobicContact CG-CE2 3.99Å; F62-F101 AromaticContact CZ-CD2 3.97Å; F62-F101 HydrophobicContact CZ-CD2 3.97Å; F62-F101 AromaticContact CZ-CE2 3.69Å; F62-F101 HydrophobicContact CZ-CE2 3.69Å
63C50.7Low54.9Low23 Ų2365.4 Ų65.416%0.15534%0.336CS..  trans-70.299.6155.3-168.40000106.4I52 E65 I67I52-C63 PolarHBondContact O-N 3.09Å; C63-E65 PolarHBondContact O-N 2.97Å; C63-E65 VanDerWaalsContact O-N 3.12Å; C63-I67 VanDerWaalsContact SG-CD1 3.54Å
64E46.3Very low55.3Low183 Ų18365.3 Ų65.386%0.85534%0.335SS*.  trans-63.9-13.4-175.4-69.6-16916700113.4F62F62-E64 VanDerWaalsContact C-N 3.32Å; F62-E64 PolarHBondContact O-N 3.07Å; F62-E64 VanDerWaalsContact O-N 3.07Å
65E46.8Very low56.1Low143 Ų14370.7 Ų70.767%0.66836%0.355SS*.SBendtrans-85.8123.9176.5-64.7-169.9166.700110.8C63 I67C63-E65 PolarHBondContact O-N 2.97Å; C63-E65 VanDerWaalsContact O-N 3.12Å; E65-I67 VanDerWaalsContact C-N 3.31Å; E65-I67 HydrophobicContact CB-CG1 4.08Å; E65-I67 WeakPolarHBondContact O-CG1 3.27Å; E65-I67 PolarHBondContact O-N 2.97Å
66F53.8Low56.6Low103 Ų10372.1 Ų72.145%0.45237%0.367SS..  trans-67.293.4164.9-77.7-79.6000109.2T16 R49 N51T16-F66 HydrophobicContact CG2-CE1 4.04Å; R49-F66 HydrophobicContact CB-CD1 4.05Å; N51-F66 WeakPolarHBondContact ND2-CE1 3.44Å
67I54.9Low57.4Low25 Ų2571.2 Ų71.213%0.12836%0.36CS..EExtended strand (participates in β ladder)trans-82.8134-176.1-63.3169.8000109.6F50 C63 E65 C69 N73 S77F50-I67 PolarHBondContact N-O 3.1Å; C63-I67 VanDerWaalsContact SG-CD1 3.54Å; E65-I67 VanDerWaalsContact C-N 3.31Å; E65-I67 HydrophobicContact CB-CG1 4.08Å; E65-I67 WeakPolarHBondContact O-CG1 3.27Å; E65-I67 PolarHBondContact O-N 2.97Å; I67-C69 PolarHBondContact O-N 3.09Å; I67-N73 HydrophobicContact CG2-CB 3.34Å; I67-N73 VanDerWaalsContact CG2-CG 3.45Å; I67-N73 WeakPolarHBondContact CG2-ND2 3.28Å; I67-S77 WeakPolarHBondContact CD1-OG 3.47Å
68I60.9Low58.6Low72 Ų7266.6 Ų66.637%0.36934%0.335SS..EExtended strand (participates in β ladder)trans-70.7121.7170-64.9174.5000108.4K47 Y48 D70 N73K47-I68 HydrophobicContact CB-CG2 3.77Å; K47-I68 HydrophobicContact CD-CG2 3.9Å; K47-I68 HydrophobicContact CG-CG2 3.57Å; Y48-I68 WeakPolarHBondContact O-CA 3.34Å; I68-D70 VanDerWaalsContact C-N 3.3Å; I68-D70 PolarHBondContact O-N 3.29Å; I68-N73 VanDerWaalsContact O-CB 3.24Å; I68-N73 WeakPolarHBondContact O-CB 3Å; I68-N73 PolarHBondContact O-ND2 3.42Å
69C65.3Low59.9Low3 Ų369.9 Ų69.92%0.0234%0.341CS..  trans-61.478175.9-88.80000113.6I43 Y48 F50 I67I43-C69 HydrophobicContact CB-CB 4.43Å; I43-C69 HydrophobicContact CD1-CB 3.44Å; I43-C69 VanDerWaalsContact CD1-CB 3.44Å; I43-C69 WeakPolarHBondContact CD1-SG 3.39Å; I43-C69 HydrophobicContact CG1-CB 3.72Å; I43-C69 HydrophobicContact CG2-CB 3.81Å; I43-C69 WeakPolarHBondContact CG2-O 3.23Å; Y48-C69 HydrophobicContact CD2-CB 4.35Å; Y48-C69 WeakPolarHBondContact O-CB 3.33Å; Y48-C69 PolarHBondContact O-N 2.99Å; F50-C69 WeakPolarHBondContact CB-SG 3.49Å; I67-C69 PolarHBondContact O-N 3.09Å
70D67.4Low61Low65 Ų6568.4 Ų68.435%0.34832%0.322SS..  trans-114.5165.1163.568.239.8000110.3I68 K72 N73 I74I68-D70 VanDerWaalsContact C-N 3.3Å; I68-D70 PolarHBondContact O-N 3.29Å; D70-K72 PolarHBondContact O-N 3.37Å; D70-K72 WeakPolarHBondContact OD1-CB 3.45Å; D70-K72 PolarHBondContact OD1-N 3.11Å; D70-K72 VanDerWaalsContact OD1-N 3.08Å; D70-N73 PolarHBondContact O-N 2.88Å; D70-N73 WeakPolarHBondContact OD1-CB 3.32Å; D70-N73 VanDerWaalsContact OD1-CG 3.3Å; D70-N73 PolarHBondContact OD1-N 3.32Å; D70-N73 PolarHBondContact OD2-ND2 3.4Å; D70-I74 WeakPolarHBondContact O-CD1 3.03Å; D70-I74 VanDerWaalsContact O-CG1 3.23Å; D70-I74 WeakPolarHBondContact O-CG1 3.09Å; D70-I74 PolarHBondContact O-N 2.95Å
71E69.8Low61.8Low89 Ų8967.3 Ų67.342%0.41632%0.315SS..Hα-helixtrans-57.8-36.8-177174.7166.1-152.500113L40 R75L40-E71 HydrophobicContact CD2-CB 3.8Å; L40-E71 HydrophobicContact CD2-CG 3.86Å; E71-R75 HydrophobicContact CG-CG 4.42Å; E71-R75 WeakPolarHBondContact O-CB 3.47Å; E71-R75 WeakPolarHBondContact O-CD 3.31Å; E71-R75 WeakPolarHBondContact O-CG 3.36Å; E71-R75 PolarHBondContact O-N 3.49Å; E71-R75 IonicContact OE1-CZ 3.14Å; E71-R75 IonicContact OE1-NE 3.07Å; E71-R75 PolarHBondContact OE1-NE 3.3Å; E71-R75 IonicContact OE1-NH2 2.62Å; E71-R75 PolarHBondContact OE1-NH2 3.07Å
72K73.3Confident62.7Low159 Ų15968.1 Ų68.169%0.69131%0.313SS*.Hα-helixtrans-64-46.5179.7178.6-173.7177-174.20110.1D70 R75 A76D70-K72 PolarHBondContact O-N 3.37Å; D70-K72 WeakPolarHBondContact OD1-CB 3.45Å; D70-K72 PolarHBondContact OD1-N 3.11Å; D70-K72 VanDerWaalsContact OD1-N 3.08Å; K72-R75 PolarHBondContact O-N 2.87Å; K72-A76 WeakPolarHBondContact O-CB 3.3Å; K72-A76 PolarHBondContact O-N 3.19Å
73N67.3Low63.4Low42 Ų4270.4 Ų70.423%0.22533%0.331CS..Hα-helixtrans-70.5-44.4-178.7-79.8-7.2000112.4I67 I68 D70 R75 A76 S77I67-N73 HydrophobicContact CG2-CB 3.34Å; I67-N73 VanDerWaalsContact CG2-CG 3.45Å; I67-N73 WeakPolarHBondContact CG2-ND2 3.28Å; I68-N73 VanDerWaalsContact O-CB 3.24Å; I68-N73 WeakPolarHBondContact O-CB 3Å; I68-N73 PolarHBondContact O-ND2 3.42Å; D70-N73 PolarHBondContact O-N 2.88Å; D70-N73 WeakPolarHBondContact OD1-CB 3.32Å; D70-N73 VanDerWaalsContact OD1-CG 3.3Å; D70-N73 PolarHBondContact OD1-N 3.32Å; D70-N73 PolarHBondContact OD2-ND2 3.4Å; N73-R75 VanDerWaalsContact C-N 3.28Å; N73-R75 PolarHBondContact O-N 3.24Å; N73-A76 CarbonylContact O-C 3.57Å; N73-A76 WeakPolarHBondContact O-CA 3.38Å; N73-A76 WeakPolarHBondContact O-CB 3.28Å; N73-A76 PolarHBondContact O-N 3.02Å; N73-S77 PolarHBondContact O-N 2.81Å; N73-S77 PolarHBondContact O-OG 3.23Å; N73-S77 VanDerWaalsContact O-OG 3.05Å
74I68.3Low63.8Low3 Ų371.1 Ų71.12%0.01533%0.331CS..Hα-helixtrans-56.3-46.4172.4-64.1159.6000110.1L39 L40 I43 D70 A76 S77 L78L39-I74 HydrophobicContact CB-CD1 4.41Å; L39-I74 HydrophobicContact CB-CG2 4.12Å; L39-I74 HydrophobicContact CD1-CG2 4.06Å; L40-I74 HydrophobicContact CD2-CD1 3.76Å; L40-I74 HydrophobicContact CG-CD1 4.28Å; I43-I74 HydrophobicContact CD1-CD1 3.3Å; I43-I74 HydrophobicContact CD1-CG1 3.81Å; D70-I74 WeakPolarHBondContact O-CD1 3.03Å; D70-I74 VanDerWaalsContact O-CG1 3.23Å; D70-I74 WeakPolarHBondContact O-CG1 3.09Å; D70-I74 PolarHBondContact O-N 2.95Å; I74-A76 VanDerWaalsContact C-N 3.28Å; I74-A76 PolarHBondContact O-N 3.26Å; I74-S77 PolarHBondContact O-N 2.92Å; I74-L78 HydrophobicContact CG2-CD1 3.9Å; I74-L78 HydrophobicContact CG2-CG 4.37Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 VanDerWaalsContact O-CG 3.27Å; I74-L78 WeakPolarHBondContact O-CG 3.27Å; I74-L78 PolarHBondContact O-N 3.48Å
75R71.7Confident64.2Low114 Ų11465.5 Ų65.543%0.4331%0.305SS..Hα-helixtrans-65-31177.1-72.3172.5-179-156.62.2112.2E71 K72 N73 R79E71-R75 HydrophobicContact CG-CG 4.42Å; E71-R75 WeakPolarHBondContact O-CB 3.47Å; E71-R75 WeakPolarHBondContact O-CD 3.31Å; E71-R75 WeakPolarHBondContact O-CG 3.36Å; E71-R75 PolarHBondContact O-N 3.49Å; E71-R75 IonicContact OE1-CZ 3.14Å; E71-R75 IonicContact OE1-NE 3.07Å; E71-R75 PolarHBondContact OE1-NE 3.3Å; E71-R75 IonicContact OE1-NH2 2.62Å; E71-R75 PolarHBondContact OE1-NH2 3.07Å; K72-R75 PolarHBondContact O-N 2.87Å; N73-R75 VanDerWaalsContact C-N 3.28Å; N73-R75 PolarHBondContact O-N 3.24Å; R75-R79 WeakPolarHBondContact O-CB 3.17Å; R75-R79 WeakPolarHBondContact O-CG 3.48Å; R75-R79 PolarHBondContact O-N 2.74Å; R75-R79 VanDerWaalsContact O-N 3.15Å; R75-R79 PolarHBondContact O-NE 3.11Å
76A67.1Low64.3Low38 Ų3866.2 Ų66.231%0.31431%0.308SS..Hα-helixtrans-71.6-48.5174.900000111.1K72 N73 I74 L78 R79 W80K72-A76 WeakPolarHBondContact O-CB 3.3Å; K72-A76 PolarHBondContact O-N 3.19Å; N73-A76 CarbonylContact O-C 3.57Å; N73-A76 WeakPolarHBondContact O-CA 3.38Å; N73-A76 WeakPolarHBondContact O-CB 3.28Å; N73-A76 PolarHBondContact O-N 3.02Å; I74-A76 VanDerWaalsContact C-N 3.28Å; I74-A76 PolarHBondContact O-N 3.26Å; A76-L78 PolarHBondContact O-N 2.83Å; A76-R79 WeakPolarHBondContact O-CB 3.46Å; A76-R79 PolarHBondContact O-N 3.08Å; A76-R79 VanDerWaalsContact O-N 3.09Å; A76-W80 PolarHBondContact O-N 2.85Å
77S67.3Low63.8Low6 Ų666.9 Ų66.94%0.04232%0.316CS..Hα-helixtrans-61.1-42.7176.8-49.30000111.6I67 N73 I74 R79 W80 V81I67-S77 WeakPolarHBondContact CD1-OG 3.47Å; N73-S77 PolarHBondContact O-N 2.81Å; N73-S77 PolarHBondContact O-OG 3.23Å; N73-S77 VanDerWaalsContact O-OG 3.05Å; I74-S77 PolarHBondContact O-N 2.92Å; S77-R79 VanDerWaalsContact C-N 3.32Å; S77-R79 PolarHBondContact O-N 3Å; S77-W80 CarbonylContact O-C 3.46Å; S77-W80 WeakPolarHBondContact O-CB 3.28Å; S77-W80 PolarHBondContact O-N 2.88Å; S77-V81 WeakPolarHBondContact O-CG2 3.46Å; S77-V81 PolarHBondContact O-N 2.92Å
78L70.9Confident63Low10 Ų1073.3 Ų73.35%0.05235%0.346CS..Hα-helixtrans-67.7-30175.3-69.1175.3000113.2L32 L35 K36 I74 A76 K82L32-L78 HydrophobicContact CD2-CD2 4.48Å; L35-L78 HydrophobicContact CD2-CD2 3.6Å; L35-L78 HydrophobicContact CG-CD2 4.09Å; K36-L78 HydrophobicContact CB-CD1 3.41Å; K36-L78 VanDerWaalsContact CB-CD1 3.41Å; K36-L78 HydrophobicContact CD-CD1 4.39Å; K36-L78 HydrophobicContact CG-CD1 3.71Å; I74-L78 HydrophobicContact CG2-CD1 3.9Å; I74-L78 HydrophobicContact CG2-CG 4.37Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 VanDerWaalsContact O-CG 3.27Å; I74-L78 WeakPolarHBondContact O-CG 3.27Å; I74-L78 PolarHBondContact O-N 3.48Å; A76-L78 PolarHBondContact O-N 2.83Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 2.91Å; L78-K82 VanDerWaalsContact O-N 3.16Å
79R69.3Low61.8Low161 Ų16178.4 Ų78.461%0.60837%0.365SS*.Hα-helixtrans-68-40.8170.6-85.7-176.6-73.7166.3-2.3111R75 A76 S77 K82 T83R75-R79 WeakPolarHBondContact O-CB 3.17Å; R75-R79 WeakPolarHBondContact O-CG 3.48Å; R75-R79 PolarHBondContact O-N 2.74Å; R75-R79 VanDerWaalsContact O-N 3.15Å; R75-R79 PolarHBondContact O-NE 3.11Å; A76-R79 WeakPolarHBondContact O-CB 3.46Å; A76-R79 PolarHBondContact O-N 3.08Å; A76-R79 VanDerWaalsContact O-N 3.09Å; S77-R79 VanDerWaalsContact C-N 3.32Å; S77-R79 PolarHBondContact O-N 3Å; R79-K82 WeakPolarHBondContact O-CB 3.29Å; R79-K82 PolarHBondContact O-N 3.13Å; R79-T83 PolarHBondContact O-N 3.21Å
80W67.6Low60.6Low73 Ų7382.3 Ų82.328%0.27739%0.39SS..Hα-helixtrans-61.5-44.6172.2178.986.8000111.5I52 L54 A76 S77 K82 T83 F84I52-W80 HydrophobicContact CG2-CZ3 4.49Å; L54-W80 HydrophobicContact CD1-CE3 4.12Å; L54-W80 HydrophobicContact CD1-CH2 3.91Å; L54-W80 HydrophobicContact CD1-CZ3 3.45Å; L54-W80 VanDerWaalsContact CD1-CZ3 3.45Å; L54-W80 HydrophobicContact CG-CH2 4.34Å; L54-W80 HydrophobicContact CG-CZ3 3.88Å; A76-W80 PolarHBondContact O-N 2.85Å; S77-W80 CarbonylContact O-C 3.46Å; S77-W80 WeakPolarHBondContact O-CB 3.28Å; S77-W80 PolarHBondContact O-N 2.88Å; W80-K82 PolarHBondContact O-N 3.23Å; W80-K82 VanDerWaalsContact O-N 3.17Å; W80-T83 PolarHBondContact O-N 3.39Å; W80-T83 PolarHBondContact O-OG1 2.81Å; W80-F84 AromaticContact CD2-CE2 3.55Å; W80-F84 HydrophobicContact CD2-CE2 3.55Å; W80-F84 HydrophobicContact CD2-CZ 4.25Å; W80-F84 AromaticContact CE2-CE2 3.34Å; W80-F84 AromaticContact CE2-CZ 3.55Å; W80-F84 AromaticContact CE3-CE2 3.8Å; W80-F84 HydrophobicContact CE3-CE2 3.8Å; W80-F84 HydrophobicContact CG-CE2 4.2Å; W80-F84 AromaticContact CH2-CE2 3.68Å; W80-F84 HydrophobicContact CH2-CE2 3.68Å; W80-F84 AromaticContact CH2-CZ 3.72Å; W80-F84 HydrophobicContact CH2-CZ 3.72Å; W80-F84 HydrophobicContact CZ2-CE1 4.48Å; W80-F84 AromaticContact CZ2-CE2 3.44Å; W80-F84 HydrophobicContact CZ2-CE2 3.44Å; W80-F84 VanDerWaalsContact CZ2-CE2 3.44Å; W80-F84 AromaticContact CZ2-CZ 3.27Å; W80-F84 HydrophobicContact CZ2-CZ 3.27Å; W80-F84 AromaticContact CZ3-CE2 3.86Å; W80-F84 HydrophobicContact CZ3-CE2 3.86Å; W80-F84 HydrophobicContact CZ3-CZ 4.37Å; W80-F84 AromaticContact NE1-CE2 3.83Å; W80-F84 AromaticContact NE1-CZ 3.96Å; W80-F84 WeakPolarHBondContact O-CD2 3.34Å; W80-F84 WeakPolarHBondContact O-CE2 3.23Å
81V64.6Low58.9Low0 Ų087.8 Ų87.80%041%0.414CS..Hα-helixtrans-56.2-37.5173.3175.70000111.9I21 I26 L32 I52 L54 S77 T83 F84I21-V81 HydrophobicContact CD1-CG1 4.13Å; I21-V81 HydrophobicContact CD1-CG2 4.31Å; I26-V81 HydrophobicContact CG2-CG1 4.14Å; L32-V81 HydrophobicContact CD2-CG1 3.83Å; I52-V81 HydrophobicContact CD1-CG2 3.79Å; I52-V81 HydrophobicContact CG2-CG2 3.9Å; L54-V81 HydrophobicContact CD1-CB 4.46Å; L54-V81 HydrophobicContact CD1-CG1 4.36Å; L54-V81 HydrophobicContact CD1-CG2 4.24Å; L54-V81 HydrophobicContact CD2-CG1 3.93Å; L54-V81 HydrophobicContact CD2-CG2 4.03Å; S77-V81 WeakPolarHBondContact O-CG2 3.46Å; S77-V81 PolarHBondContact O-N 2.92Å; V81-T83 VanDerWaalsContact C-N 3.3Å; V81-T83 PolarHBondContact O-N 2.83Å; V81-F84 PolarHBondContact O-N 3.46Å
82K65.2Low57.1Low76 Ų7689.1 Ų89.133%0.3343%0.428SS..Hα-helixtrans-67.1-24.2176.4-72.1177.5179.6-170.40113.7L32 L78 R79 W80 F84 Q85L32-K82 HydrophobicContact CD1-CD 4.39Å; L32-K82 HydrophobicContact CD1-CG 3.65Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 2.91Å; L78-K82 VanDerWaalsContact O-N 3.16Å; R79-K82 WeakPolarHBondContact O-CB 3.29Å; R79-K82 PolarHBondContact O-N 3.13Å; W80-K82 PolarHBondContact O-N 3.23Å; W80-K82 VanDerWaalsContact O-N 3.17Å; K82-F84 PolarHBondContact O-N 3.33Å; K82-Q85 WeakPolarHBondContact O-CB 3.32Å; K82-Q85 VanDerWaalsContact O-CG 3.27Å; K82-Q85 WeakPolarHBondContact O-CG 3.23Å; K82-Q85 PolarHBondContact O-N 2.79Å
83T62.7Low55.2Low91 Ų9185.9 Ų85.956%0.55843%0.431SS*.Hα-helixtrans-68.6-19.9178.962.20000112.6R79 W80 V81 Q85R79-T83 PolarHBondContact O-N 3.21Å; W80-T83 PolarHBondContact O-N 3.39Å; W80-T83 PolarHBondContact O-OG1 2.81Å; V81-T83 VanDerWaalsContact C-N 3.3Å; V81-T83 PolarHBondContact O-N 2.83Å; T83-Q85 VanDerWaalsContact C-N 3.27Å; T83-Q85 PolarHBondContact O-N 2.99Å
84F58.8Low53.6Low37 Ų3788.3 Ų88.316%0.16244%0.444CS..G310 helixtrans-80.3-2.7176.8-63.3-91.9000113.8I26 L54 T61 W80 V81 K82 H86 L87I26-F84 HydrophobicContact CG2-CB 4.42Å; L54-F84 HydrophobicContact CD1-CB 4.37Å; L54-F84 HydrophobicContact CD1-CD1 4.37Å; L54-F84 HydrophobicContact CD1-CD2 3.35Å; L54-F84 HydrophobicContact CD1-CE2 3.68Å; L54-F84 HydrophobicContact CD1-CG 3.77Å; L54-F84 HydrophobicContact CD1-CZ 4.31Å; T61-F84 HydrophobicContact CG2-CE1 4.39Å; W80-F84 AromaticContact CD2-CE2 3.55Å; W80-F84 HydrophobicContact CD2-CE2 3.55Å; W80-F84 HydrophobicContact CD2-CZ 4.25Å; W80-F84 AromaticContact CE2-CE2 3.34Å; W80-F84 AromaticContact CE2-CZ 3.55Å; W80-F84 AromaticContact CE3-CE2 3.8Å; W80-F84 HydrophobicContact CE3-CE2 3.8Å; W80-F84 HydrophobicContact CG-CE2 4.2Å; W80-F84 AromaticContact CH2-CE2 3.68Å; W80-F84 HydrophobicContact CH2-CE2 3.68Å; W80-F84 AromaticContact CH2-CZ 3.72Å; W80-F84 HydrophobicContact CH2-CZ 3.72Å; W80-F84 HydrophobicContact CZ2-CE1 4.48Å; W80-F84 AromaticContact CZ2-CE2 3.44Å; W80-F84 HydrophobicContact CZ2-CE2 3.44Å; W80-F84 VanDerWaalsContact CZ2-CE2 3.44Å; W80-F84 AromaticContact CZ2-CZ 3.27Å; W80-F84 HydrophobicContact CZ2-CZ 3.27Å; W80-F84 AromaticContact CZ3-CE2 3.86Å; W80-F84 HydrophobicContact CZ3-CE2 3.86Å; W80-F84 HydrophobicContact CZ3-CZ 4.37Å; W80-F84 AromaticContact NE1-CE2 3.83Å; W80-F84 AromaticContact NE1-CZ 3.96Å; W80-F84 WeakPolarHBondContact O-CD2 3.34Å; W80-F84 WeakPolarHBondContact O-CE2 3.23Å; V81-F84 PolarHBondContact O-N 3.46Å; K82-F84 PolarHBondContact O-N 3.33Å; F84-H86 PolarHBondContact O-N 3.35Å; F84-L87 HydrophobicContact CD1-CD1 3.68Å; F84-L87 HydrophobicContact CE1-CD1 4.38Å
85Q55.6Low52.1Low66 Ų6693.8 Ų93.831%0.30847%0.473SS..G310 helixtrans-59.5-16.6179.8-73.5-177.7-11.800113.8I26 K82 T83I26-Q85 PolarHBondContact O-NE2 3.46Å; K82-Q85 WeakPolarHBondContact O-CB 3.32Å; K82-Q85 VanDerWaalsContact O-CG 3.27Å; K82-Q85 WeakPolarHBondContact O-CG 3.23Å; K82-Q85 PolarHBondContact O-N 2.79Å; T83-Q85 VanDerWaalsContact C-N 3.27Å; T83-Q85 PolarHBondContact O-N 2.99Å
86H48.1Very low50.9Low158 Ų15889.2 Ų89.273%0.73146%0.456SS*.G310 helixtrans-109.96.7-170.4-59.7-60.8000116.2F84 E88F84-H86 PolarHBondContact O-N 3.35Å; H86-E88 PolarHBondContact O-N 2.96Å
87L44.2Very low49.9Very low117 Ų11791.2 Ų91.261%0.61346%0.462SS*.  trans-83.4105.6178.5-75.1157.2000110.4F84F84-L87 HydrophobicContact CD1-CD1 3.68Å; F84-L87 HydrophobicContact CE1-CD1 4.38Å
88E36.7Very low48.9Very low160 Ų16092 Ų9275%0.74846%0.464SS*.  trans-98.7125.3175.6-70.4-171.1160.800111.2H86H86-E88 PolarHBondContact O-N 2.96Å
89K36.7Very low47.8Very low179 Ų17997.8 Ų97.878%0.77850%0.495SS*.  trans73.2160.9168.9-51.5175.5-179.1177.70115.5
90P39.2Very low46.6Very low84 Ų8496.7 Ų96.755%0.54550%0.497SS..  cis-127.1-174.8-936.1-15.7000113.8
91E33.5Very low45.7Very low180 Ų18094.5 Ų94.584%0.84149%0.49SS*.  trans-66.5119.1-177.7-61.1158.3166.100113.4
92T31.8Very low44.7Very low118 Ų11898.9 Ų98.972%0.72453%0.525SS*.  trans-171.6152.3147.218.20000110.6
93A32.1Very low43.8Very low90 Ų9096.2 Ų96.274%0.74452%0.516SS*.  trans-72.3150.9-152.900000117.8N95A93-N95 PolarHBondContact O-N 3.31Å
94L34.1Very low43.2Very low94 Ų9498.9 Ų98.949%0.49253%0.527SS..  trans-56.887.9173.7-63.5145.2000112.7F96 L127L94-F96 HydrophobicContact CB-CD2 4.31Å; L94-F96 HydrophobicContact CB-CE2 3.95Å; L94-F96 HydrophobicContact CD2-CE2 3.51Å; L94-F96 HydrophobicContact CD2-CZ 4.08Å; L94-F96 HydrophobicContact CG-CE2 4.33Å; L94-L127 HydrophobicContact CB-CD1 4.4Å; L94-L127 HydrophobicContact CD1-CD1 4.22Å
95N38.1Very low42.9Very low117 Ų117102.8 Ų102.863%0.62654%0.544SS*.  trans-112.3103.5165.9-88.4-19.5000109.6A93A93-N95 PolarHBondContact O-N 3.31Å
96F45.7Very low42.8Very low18 Ų18102.1 Ų102.18%0.07955%0.55CS..  trans-100.3140.9179.2-71.1-114.4000109.9W20 T60 L94 K130W20-F96 HydrophobicContact CZ2-CE1 4.42Å; W20-F96 HydrophobicContact CZ2-CZ 4.27Å; T60-F96 HydrophobicContact CG2-CD1 4.49Å; T60-F96 HydrophobicContact CG2-CE1 3.95Å; T60-F96 WeakPolarHBondContact OG1-CD1 3.3Å; T60-F96 WeakPolarHBondContact OG1-CE1 3.19Å; L94-F96 HydrophobicContact CB-CD2 4.31Å; L94-F96 HydrophobicContact CB-CE2 3.95Å; L94-F96 HydrophobicContact CD2-CE2 3.51Å; L94-F96 HydrophobicContact CD2-CZ 4.08Å; L94-F96 HydrophobicContact CG-CE2 4.33Å; F96-K130 VanDerWaalsContact O-CD 3.25Å; F96-K130 WeakPolarHBondContact O-CD 3.42Å; F96-K130 PolarHBondContact O-NZ 3.36Å
97D45.8Very low43Very low81 Ų8195 Ų9543%0.43352%0.517SS..  trans-11497.6171.1-169.52.5000109.9D99D97-D99 PolarHBondContact O-N 3.23Å; D97-D99 WeakPolarHBondContact OD1-CB 3.32Å; D97-D99 PolarHBondContact OD1-N 2.76Å
98F47.4Very low43.5Very low21 Ų2190.9 Ų90.99%0.09249%0.494CS..G310 helixtrans-71.1-9.8177.6-76.4-73.2000112.8M18 Q100 F101 K130 I131 L134M18-F98 HydrophobicContact CE-CE1 4.49Å; F98-Q100 PolarHBondContact O-N 2.76Å; F98-F101 WeakPolarHBondContact O-CB 3.2Å; F98-F101 PolarHBondContact O-N 3.44Å; F98-K130 HydrophobicContact CD2-CB 4.11Å; F98-I131 HydrophobicContact CE2-CG1 3.77Å; F98-I131 HydrophobicContact CZ-CG1 4.08Å; F98-L134 HydrophobicContact CB-CD1 3.73Å; F98-L134 HydrophobicContact CB-CD2 4.08Å; F98-L134 HydrophobicContact CB-CG 4.08Å; F98-L134 HydrophobicContact CD1-CD1 3.46Å; F98-L134 VanDerWaalsContact CD1-CD1 3.46Å; F98-L134 HydrophobicContact CD2-CD1 4Å; F98-L134 HydrophobicContact CE1-CD1 3.95Å; F98-L134 HydrophobicContact CE2-CD1 4.45Å; F98-L134 HydrophobicContact CG-CD1 3.47Å; F98-L134 VanDerWaalsContact CG-CD1 3.47Å; F98-L134 HydrophobicContact CG-CG 4.33Å; F98-L134 HydrophobicContact CZ-CD1 4.42Å
99D47.5Very low44.3Very low133 Ų13383.5 Ų83.571%0.71146%0.46SS*.G310 helixtrans-66-18.2178.5-63-23.3000111.7D97 F101D97-D99 PolarHBondContact O-N 3.23Å; D97-D99 WeakPolarHBondContact OD1-CB 3.32Å; D97-D99 PolarHBondContact OD1-N 2.76Å; D99-F101 PolarHBondContact O-N 3.31Å
100Q42.8Very low45.3Very low138 Ų13875.9 Ų75.965%0.64543%0.426SS*.G310 helixtrans-66.5-20.7170.4-64-172.12.800113.2F98 A102F98-Q100 PolarHBondContact O-N 2.76Å; Q100-A102 VanDerWaalsContact C-N 3.31Å; Q100-A102 PolarHBondContact O-N 3.04Å; Q100-A102 VanDerWaalsContact O-N 3.08Å
101F48.5Very low46Very low27 Ų2772.1 Ų72.112%0.11840%0.402CS..  trans-85.967.9177.4-102.6-103.5000111.7M18 N51 F62 F98 D99 S103M18-F101 HydrophobicContact CE-CD1 4.39Å; M18-F101 HydrophobicContact CE-CE1 4.37Å; M18-F101 HydrophobicContact CG-CE1 4.46Å; M18-F101 HydrophobicContact CG-CZ 4.49Å; M18-F101 HydrophobicContact SD-CD1 4.12Å; M18-F101 HydrophobicContact SD-CD2 4.46Å; M18-F101 HydrophobicContact SD-CE1 3.61Å; M18-F101 HydrophobicContact SD-CE2 4.06Å; M18-F101 HydrophobicContact SD-CZ 3.57Å; M18-F101 VanDerWaalsContact SD-CZ 3.57Å; N51-F101 HydrophobicContact CB-CE1 4.14Å; N51-F101 HydrophobicContact CB-CZ 3.81Å; N51-F101 VanDerWaalsContact ND2-CE1 3.27Å; N51-F101 WeakPolarHBondContact ND2-CE1 3.35Å; N51-F101 VanDerWaalsContact ND2-CZ 3.33Å; N51-F101 WeakPolarHBondContact ND2-CZ 3.47Å; F62-F101 HydrophobicContact CD1-CD2 4.38Å; F62-F101 AromaticContact CD1-CE2 3.34Å; F62-F101 HydrophobicContact CD1-CE2 3.34Å; F62-F101 AromaticContact CD1-CZ 3.93Å; F62-F101 HydrophobicContact CD1-CZ 3.93Å; F62-F101 HydrophobicContact CD2-CE2 4.45Å; F62-F101 AromaticContact CE1-CD2 3.87Å; F62-F101 HydrophobicContact CE1-CD2 3.87Å; F62-F101 AromaticContact CE1-CE2 3.15Å; F62-F101 HydrophobicContact CE1-CE2 3.15Å; F62-F101 AromaticContact CE1-CZ 3.95Å; F62-F101 HydrophobicContact CE1-CZ 3.95Å; F62-F101 HydrophobicContact CE2-CE2 4.32Å; F62-F101 AromaticContact CG-CE2 3.99Å; F62-F101 HydrophobicContact CG-CE2 3.99Å; F62-F101 AromaticContact CZ-CD2 3.97Å; F62-F101 HydrophobicContact CZ-CD2 3.97Å; F62-F101 AromaticContact CZ-CE2 3.69Å; F62-F101 HydrophobicContact CZ-CE2 3.69Å; F98-F101 WeakPolarHBondContact O-CB 3.2Å; F98-F101 PolarHBondContact O-N 3.44Å; D99-F101 PolarHBondContact O-N 3.31Å; F101-S103 PolarHBondContact O-N 3.43Å
102A44.2Very low47.1Very low91 Ų9164 Ų6475%0.75236%0.364SS*.  trans-74.994.217000000110.4Q100Q100-A102 VanDerWaalsContact C-N 3.31Å; Q100-A102 PolarHBondContact O-N 3.04Å; Q100-A102 VanDerWaalsContact O-N 3.08Å
103S47.4Very low48.2Very low20 Ų2058.8 Ų58.814%0.1433%0.331CS..  trans-117118.9166.5175.70000110.4F101 K105F101-S103 PolarHBondContact O-N 3.43Å; S103-K105 PolarHBondContact O-N 2.73Å; S103-K105 PolarHBondContact OG-N 3.21Å; S103-K105 PolarHBondContact OG-O 3.46Å
104D49.1Very low49Very low148 Ų14854.5 Ų54.579%0.79130%0.296SS*.SBendtrans-62.9-23172.6-63.9-32.8000112.4K137D104-K137 PolarHBondContact O-NZ 2.64Å
105K52Low49.8Very low119 Ų11952.1 Ų52.152%0.51729%0.285SS..SBendtrans-99.8149.7-174.6-60-177.8-178.7-177.80111.8S103S103-K105 PolarHBondContact O-N 2.73Å; S103-K105 PolarHBondContact OG-N 3.21Å; S103-K105 PolarHBondContact OG-O 3.46Å
106A53.9Low50.3Low51 Ų5150.1 Ų50.142%0.42128%0.278SS..  trans-56.6137.7171.300000110.8Y15 K137Y15-A106 HydrophobicContact CE1-CB 4.27Å; A106-K137 VanDerWaalsContact CA-O 3.26Å; A106-K137 WeakPolarHBondContact CA-O 3.44Å
107F52.9Low50.5Low9 Ų950.7 Ų50.74%0.03928%0.281CS..EExtended strand (participates in β ladder)trans-135.9153.9-176.765.1-84.8000111.5T16 M18 I109 L134 K137 A138 S139T16-F107 HydrophobicContact CG2-CB 4.42Å; T16-F107 VanDerWaalsContact O-CA 3.28Å; T16-F107 WeakPolarHBondContact O-CA 3.47Å; T16-F107 VanDerWaalsContact O-CB 3.32Å; T16-F107 WeakPolarHBondContact O-CB 3.35Å; M18-F107 HydrophobicContact CE-CD2 4.46Å; M18-F107 HydrophobicContact CE-CE2 4.03Å; F107-I109 HydrophobicContact CD2-CD1 4.46Å; F107-I109 HydrophobicContact CD2-CG1 3.88Å; F107-I109 HydrophobicContact CE2-CD1 3.73Å; F107-I109 HydrophobicContact CE2-CG1 3.65Å; F107-L134 HydrophobicContact CZ-CD2 3.85Å; F107-K137 HydrophobicContact CE1-CB 4.45Å; F107-K137 PolarHBondContact N-O 3.43Å; F107-K137 VanDerWaalsContact N-O 3.11Å; F107-A138 HydrophobicContact CD2-CB 4.23Å; F107-A138 HydrophobicContact CE1-CB 3.95Å; F107-A138 HydrophobicContact CE2-CB 3.64Å; F107-A138 HydrophobicContact CZ-CB 3.47Å; F107-A138 VanDerWaalsContact CZ-CB 3.47Å; F107-A138 WeakPolarHBondContact O-CA 3.34Å; F107-S139 PolarHBondContact O-N 3.16Å
108E54Low50.7Low30 Ų3047.2 Ų47.214%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-109.2130178.5-67.6-174.6179.600110T16 M18 Y110 S139T16-E108 PolarHBondContact O-N 3.22Å; T16-E108 VanDerWaalsContact O-N 3.08Å; M18-E108 PolarHBondContact N-O 2.63Å; E108-Y110 HydrophobicContact CB-CD2 4.28Å; E108-Y110 HydrophobicContact CB-CE2 3.68Å; E108-Y110 VanDerWaalsContact OE2-CE2 3.24Å; E108-Y110 WeakPolarHBondContact OE2-CE2 3.39Å; E108-Y110 VanDerWaalsContact OE2-CZ 3.31Å; E108-Y110 PolarHBondContact OE2-OH 3.5Å; E108-S139 CarbonylContact C-O 3.54Å; E108-S139 VanDerWaalsContact CA-O 3.3Å; E108-S139 WeakPolarHBondContact CA-O 3.32Å
109I53.7Low50.6Low6 Ų653 Ų533%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-103.5118.5175.2-48.4-177000108.3M18 F107 L111 L134 A138 S139 I140 H141M18-I109 HydrophobicContact CE-CB 4.26Å; M18-I109 HydrophobicContact CE-CD1 3.53Å; M18-I109 HydrophobicContact CE-CG1 3.51Å; M18-I109 HydrophobicContact CE-CG2 3.94Å; M18-I109 CarbonylContact O-C 3.58Å; M18-I109 WeakPolarHBondContact O-CA 3.38Å; F107-I109 HydrophobicContact CD2-CD1 4.46Å; F107-I109 HydrophobicContact CD2-CG1 3.88Å; F107-I109 HydrophobicContact CE2-CD1 3.73Å; F107-I109 HydrophobicContact CE2-CG1 3.65Å; I109-L111 HydrophobicContact CG2-CD2 3.56Å; I109-L111 HydrophobicContact CG2-CG 4.07Å; I109-L134 HydrophobicContact CD1-CD1 4.16Å; I109-A138 HydrophobicContact CD1-CB 4.24Å; I109-S139 PolarHBondContact N-O 2.92Å; I109-I140 HydrophobicContact CB-CG1 4.4Å; I109-I140 HydrophobicContact CB-CG2 4.49Å; I109-I140 HydrophobicContact CD1-CD1 4.38Å; I109-I140 HydrophobicContact CD1-CG1 4.12Å; I109-I140 HydrophobicContact CG1-CG1 4.46Å; I109-I140 CarbonylContact O-C 3.59Å; I109-H141 PolarHBondContact O-N 3.38Å
110Y57.6Low50.6Low18 Ų1854.5 Ų54.57%0.07129%0.285CS..EExtended strand (participates in β ladder)trans-103.6112.8173.2-71.9-95.7000109.8I17 M18 W20 E108 H141I17-Y110 HydrophobicContact CG2-CD2 3.96Å; I17-Y110 HydrophobicContact CG2-CE2 4.17Å; M18-Y110 PolarHBondContact O-N 3.12Å; W20-Y110 PolarHBondContact N-O 3.26Å; E108-Y110 HydrophobicContact CB-CD2 4.28Å; E108-Y110 HydrophobicContact CB-CE2 3.68Å; E108-Y110 VanDerWaalsContact OE2-CE2 3.24Å; E108-Y110 WeakPolarHBondContact OE2-CE2 3.39Å; E108-Y110 VanDerWaalsContact OE2-CZ 3.31Å; E108-Y110 PolarHBondContact OE2-OH 3.5Å; Y110-H141 CarbonylContact C-O 3.59Å; Y110-H141 WeakPolarHBondContact CA-O 3.22Å; Y110-H141 HydrophobicContact CD1-CB 3.7Å; Y110-H141 HydrophobicContact CE1-CB 3.82Å; Y110-H141 AromaticContact CE1-CG 3.95Å; Y110-H141 HydrophobicContact CG-CB 4.26Å; Y110-H141 AromaticContact CZ-CD2 3.89Å
111L53.5Low50.7Low5 Ų548.7 Ų48.73%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-97.3111.9-177.9-56.6-179.3000109.6W20 I109 V113 I140 H141 I142 R143 L175W20-L111 HydrophobicContact CB-CD2 3.8Å; W20-L111 HydrophobicContact CD2-CD2 3.94Å; W20-L111 HydrophobicContact CE3-CD2 3.17Å; W20-L111 HydrophobicContact CG-CD2 4.26Å; W20-L111 HydrophobicContact CZ3-CD2 3.94Å; I109-L111 HydrophobicContact CG2-CD2 3.56Å; I109-L111 HydrophobicContact CG2-CG 4.07Å; L111-V113 HydrophobicContact CB-CG2 3.92Å; L111-I140 HydrophobicContact CD1-CG2 3.5Å; L111-I140 VanDerWaalsContact CD1-CG2 3.5Å; L111-I140 HydrophobicContact CG-CG2 4.03Å; L111-H141 PolarHBondContact N-O 3.33Å; L111-I142 HydrophobicContact CB-CG1 4.38Å; L111-I142 HydrophobicContact CD1-CG1 3.88Å; L111-R143 PolarHBondContact O-N 3.23Å; L111-L175 HydrophobicContact CD1-CD2 3.52Å
112F57Low50.3Low11 Ų1149.6 Ų49.65%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-98.6101.7174.7-68.1-91.1000109.7I19 W20 V22 F31 L35 R143 I145I19-F112 HydrophobicContact CD1-CE2 4.3Å; I19-F112 HydrophobicContact CG1-CE2 4.34Å; I19-F112 HydrophobicContact CG2-CD2 3.92Å; I19-F112 HydrophobicContact CG2-CE2 3.83Å; W20-F112 PolarHBondContact O-N 3.37Å; V22-F112 WeakPolarHBondContact CG2-O 3.38Å; F31-F112 HydrophobicContact CE2-CB 4.03Å; F31-F112 AromaticContact CE2-CD1 3.53Å; F31-F112 HydrophobicContact CE2-CD1 3.53Å; F31-F112 HydrophobicContact CE2-CE1 4.07Å; F31-F112 AromaticContact CE2-CG 3.87Å; F31-F112 HydrophobicContact CE2-CG 3.87Å; F31-F112 HydrophobicContact CZ-CB 3.81Å; F31-F112 AromaticContact CZ-CD1 3.91Å; F31-F112 HydrophobicContact CZ-CD1 3.91Å; F31-F112 HydrophobicContact CZ-CD2 4.33Å; F31-F112 HydrophobicContact CZ-CE1 4.49Å; F31-F112 AromaticContact CZ-CG 3.77Å; F31-F112 HydrophobicContact CZ-CG 3.77Å; L35-F112 HydrophobicContact CD1-CE2 4.01Å; L35-F112 HydrophobicContact CD1-CZ 3.96Å; F112-R143 HydrophobicContact CD1-CB 3.91Å; F112-R143 HydrophobicContact CE1-CB 4.1Å; F112-R143 VanDerWaalsContact CE1-CD 3.44Å; F112-R143 HydrophobicContact CE1-CG 4.39Å; F112-I145 HydrophobicContact CB-CD1 4.45Å; F112-I145 HydrophobicContact CD1-CD1 4.03Å
113V54.7Low50.2Low7 Ų747.1 Ų47.14%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-122.4134.2-168.8-157.30000109.6V22 L111 I117 F121 I142 R143 L144 I145V22-V113 HydrophobicContact CG2-CG1 4.3Å; L111-V113 HydrophobicContact CB-CG2 3.92Å; V113-I117 HydrophobicContact CG1-CB 4.06Å; V113-I117 HydrophobicContact CG1-CG2 4.3Å; V113-F121 HydrophobicContact CG1-CE2 3.96Å; V113-I142 HydrophobicContact CG2-CG2 4.39Å; V113-R143 PolarHBondContact N-O 2.81Å; V113-R143 VanDerWaalsContact N-O 3.13Å; V113-L144 HydrophobicContact CB-CD2 4.33Å; V113-L144 WeakPolarHBondContact O-CA 3.19Å; V113-I145 PolarHBondContact O-N 3.47Å; V113-I145 VanDerWaalsContact O-N 3.09Å
114P49.4Very low49.9Very low1 Ų154.8 Ų54.81%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-68.2145.616757.3000109.9E24 W25 T116 I117E24-P114 HydrophobicContact CB-CG 4.06Å; E24-P114 HydrophobicContact CG-CG 4.39Å; E24-P114 VanDerWaalsContact OE2-CB 3.31Å; E24-P114 WeakPolarHBondContact OE2-CB 3.41Å; E24-P114 WeakPolarHBondContact OE2-CG 3.39Å; W25-P114 HydrophobicContact CZ2-CB 4.2Å; W25-P114 VanDerWaalsContact NE1-CD 3.3Å; W25-P114 VanDerWaalsContact NE1-CG 3.29Å; W25-P114 VanDerWaalsContact NE1-N 3.19Å; P114-T116 PolarHBondContact O-N 3.35Å; P114-T116 VanDerWaalsContact O-N 3.17Å; P114-I117 HydrophobicContact CG-CD1 3.6Å; P114-I117 HydrophobicContact CG-CG1 3.9Å; P114-I117 PolarHBondContact O-N 3.42Å; P114-I117 VanDerWaalsContact O-N 3.13Å
115T50.3Low49.5Very low43 Ų4350.2 Ų50.226%0.26428%0.277SS..G310 helixtrans-60.5-26.617942.40000113.5I117 L118 L144 V146T115-I117 VanDerWaalsContact C-N 3.27Å; T115-I117 PolarHBondContact O-N 3.48Å; T115-L118 PolarHBondContact O-N 3.49Å; T115-L144 HydrophobicContact CG2-CB 4.16Å; T115-V146 HydrophobicContact CG2-CG2 3.78Å
116T49.5Very low48.8Very low76 Ų7648 Ų4847%0.46628%0.276SS..G310 helixtrans-63.6-28.5177.247.80000113.3P114P114-T116 PolarHBondContact O-N 3.35Å; P114-T116 VanDerWaalsContact O-N 3.17Å
117I49.6Very low48.2Very low30 Ų3046.5 Ų46.515%0.15426%0.261CS..G310 helixtrans-84.2-20-177.1-58.6-174.9000111.5V22 V113 P114 T115 Y119 K120 F121V22-I117 HydrophobicContact CB-CD1 4.47Å; V22-I117 HydrophobicContact CG1-CD1 3.43Å; V22-I117 VanDerWaalsContact CG1-CD1 3.43Å; V113-I117 HydrophobicContact CG1-CB 4.06Å; V113-I117 HydrophobicContact CG1-CG2 4.3Å; P114-I117 HydrophobicContact CG-CD1 3.6Å; P114-I117 HydrophobicContact CG-CG1 3.9Å; P114-I117 PolarHBondContact O-N 3.42Å; P114-I117 VanDerWaalsContact O-N 3.13Å; T115-I117 VanDerWaalsContact C-N 3.27Å; T115-I117 PolarHBondContact O-N 3.48Å; I117-Y119 PolarHBondContact O-N 3.05Å; I117-K120 WeakPolarHBondContact O-CB 3.35Å; I117-K120 PolarHBondContact O-N 2.78Å; I117-F121 HydrophobicContact CG2-CD2 4.16Å; I117-F121 HydrophobicContact CG2-CE2 3.62Å; I117-F121 HydrophobicContact CG2-CZ 4.47Å; I117-F121 WeakPolarHBondContact O-CD2 3.37Å
118L49.1Very low47.5Very low7 Ų747.9 Ų47.94%0.03727%0.268CS..Hα-helixtrans-56.5-35.2178.4-75170.8000113.4T115 K120 F121 L144 I168 I172T115-L118 PolarHBondContact O-N 3.49Å; L118-K120 PolarHBondContact O-N 3.09Å; L118-F121 PolarHBondContact O-N 2.89Å; L118-F121 VanDerWaalsContact O-N 3.09Å; L118-L144 HydrophobicContact CD1-CD1 3.66Å; L118-L144 HydrophobicContact CD1-CD2 3.43Å; L118-L144 VanDerWaalsContact CD1-CD2 3.43Å; L118-L144 HydrophobicContact CD1-CG 4.15Å; L118-L144 HydrophobicContact CD2-CD2 4.01Å; L118-L144 HydrophobicContact CG-CD2 3.91Å; L118-I168 HydrophobicContact CB-CG2 4.46Å; L118-I168 HydrophobicContact CD1-CG2 3.79Å; L118-I172 HydrophobicContact CD1-CD1 3.83Å; L118-I172 HydrophobicContact CD1-CG1 4.11Å; L118-I172 HydrophobicContact CD2-CD1 4.37Å; L118-I172 HydrophobicContact CD2-CG1 3.71Å
119Y46.2Very low46.6Very low144 Ų14452.1 Ų52.157%0.56529%0.292SS*.Hα-helixtrans-60.4-29.5175.2-64.5-76.6000113I117 I168I117-Y119 PolarHBondContact O-N 3.05Å; Y119-I168 HydrophobicContact CD1-CG1 4.44Å; Y119-I168 HydrophobicContact CE1-CD1 3.7Å; Y119-I168 HydrophobicContact CE1-CG1 4.06Å; Y119-I168 HydrophobicContact CE2-CD1 4.34Å
120K46.7Very low45.9Very low163 Ų16355.5 Ų55.571%0.70931%0.306SS*.Hα-helixtrans-76.9-22.4178-66.1-176176.4-179.80112.9I117 L118 S125I117-K120 WeakPolarHBondContact O-CB 3.35Å; I117-K120 PolarHBondContact O-N 2.78Å; L118-K120 PolarHBondContact O-N 3.09Å; K120-S125 PolarHBondContact O-OG 3Å
121F45.3Very low45Very low16 Ų1654.9 Ų54.97%0.0730%0.304CS..Hα-helixtrans-77.3-22.5179.5-75.6-80.3000113.2V113 I117 L118 L127 L128 L175V113-F121 HydrophobicContact CG1-CE2 3.96Å; I117-F121 HydrophobicContact CG2-CD2 4.16Å; I117-F121 HydrophobicContact CG2-CE2 3.62Å; I117-F121 HydrophobicContact CG2-CZ 4.47Å; I117-F121 WeakPolarHBondContact O-CD2 3.37Å; L118-F121 PolarHBondContact O-N 2.89Å; L118-F121 VanDerWaalsContact O-N 3.09Å; F121-L127 HydrophobicContact CD1-CD1 4.49Å; F121-L127 HydrophobicContact CE1-CB 4.48Å; F121-L127 HydrophobicContact CE1-CD1 4.04Å; F121-L128 WeakPolarHBondContact O-CD1 3.4Å; F121-L175 HydrophobicContact CB-CD1 4.28Å; F121-L175 HydrophobicContact CD1-CD1 3.32Å; F121-L175 HydrophobicContact CE1-CD1 3.72Å; F121-L175 HydrophobicContact CG-CD1 3.9Å
122G40Very low44.3Very low46 Ų4657.4 Ų57.447%0.47432%0.32SS..THydrogen-bonded Turntrans-80.6-10.8-179.900000115
123G41.9Very low43.4Very low39 Ų3964.6 Ų64.640%0.40235%0.353SS..SBendtrans-80.215716900000110.6S125G123-S125 PolarHBondContact O-N 3.18Å; G123-S125 PolarHBondContact O-OG 3.48Å
124D41.5Very low42.8Very low181 Ų18165.4 Ų65.497%0.96836%0.357SS*.SBendtrans-54.716.5179-66.3-35.6000115.8C126D124-C126 PolarHBondContact O-N 3.25Å
125S40.6Very low42.4Very low53 Ų5368.3 Ų68.337%0.37138%0.377SS..  trans-59.8128.4172.368.40000111.7K120 G123 L127K120-S125 PolarHBondContact O-OG 3Å; G123-S125 PolarHBondContact O-N 3.18Å; G123-S125 PolarHBondContact O-OG 3.48Å; S125-L127 PolarHBondContact O-N 3.17Å
126C38.5Very low42.1Very low73 Ų7373.8 Ų73.849%0.49340%0.403SS..THydrogen-bonded Turntrans-48.1-2.9-174-144.70000117.7D124D124-C126 PolarHBondContact O-N 3.25Å
127L41.1Very low42Very low18 Ų1875 Ų759%0.09440%0.402CS..Hα-helixtrans-72.8-40.4-174.7-95.6151.8000113.5W20 L94 F121 S125 D129 K130 I131W20-L127 HydrophobicContact CH2-CD2 4.28Å; L94-L127 HydrophobicContact CB-CD1 4.4Å; L94-L127 HydrophobicContact CD1-CD1 4.22Å; F121-L127 HydrophobicContact CD1-CD1 4.49Å; F121-L127 HydrophobicContact CE1-CB 4.48Å; F121-L127 HydrophobicContact CE1-CD1 4.04Å; S125-L127 PolarHBondContact O-N 3.17Å; L127-D129 PolarHBondContact O-N 3.23Å; L127-K130 PolarHBondContact O-N 3.37Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 3.17Å
128L37.1Very low41.9Very low39 Ų3974 Ų7420%0.20440%0.399CS..Hα-helixtrans-64.2-41.8-174.8-80.1163.1000112.4F121 K130 I131 T132 E174 L175F121-L128 WeakPolarHBondContact O-CD1 3.4Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.13Å; L128-I131 PolarHBondContact O-N 3.09Å; L128-T132 PolarHBondContact O-N 3.16Å; L128-T132 PolarHBondContact O-OG1 3.33Å; L128-E174 HydrophobicContact CD2-CB 4.43Å; L128-L175 HydrophobicContact CD2-CB 3.76Å; L128-L175 HydrophobicContact CD2-CD1 3.93Å; L128-L175 HydrophobicContact CD2-CG 4.09Å
129D36Very low41.9Very low118 Ų11876.4 Ų76.463%0.63142%0.416SS*.Hα-helixtrans-65.3-35-177.5-75.2-19.4000112.9L127 T132 H133L127-D129 PolarHBondContact O-N 3.23Å; D129-T132 WeakPolarHBondContact CA-OG1 3.26Å; D129-T132 PolarHBondContact O-OG1 2.69Å; D129-T132 VanDerWaalsContact O-OG1 3.05Å; D129-H133 PolarHBondContact O-N 2.75Å
130K38.6Very low42Very low78 Ų7869.9 Ų69.934%0.33939%0.391SS..Hα-helixtrans-79-35.3-179-71.2-173.9168.8-177.90112.8F96 F98 L127 L128 H133F96-K130 VanDerWaalsContact O-CD 3.25Å; F96-K130 WeakPolarHBondContact O-CD 3.42Å; F96-K130 PolarHBondContact O-NZ 3.36Å; F98-K130 HydrophobicContact CD2-CB 4.11Å; L127-K130 PolarHBondContact O-N 3.37Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.13Å; K130-H133 WeakPolarHBondContact O-CB 3.41Å; K130-H133 PolarHBondContact O-N 2.84Å
131I39.1Very low42Very low5 Ų564.1 Ų64.13%0.02637%0.367CS..Hα-helixtrans-66.5-39.6177-69.8178.8000111F98 L127 L128 H133 L134 I140 L175F98-I131 HydrophobicContact CE2-CG1 3.77Å; F98-I131 HydrophobicContact CZ-CG1 4.08Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 3.17Å; L128-I131 PolarHBondContact O-N 3.09Å; I131-H133 PolarHBondContact O-N 3.13Å; I131-L134 PolarHBondContact O-N 3.09Å; I131-I140 HydrophobicContact CG2-CD1 3.04Å; I131-L175 HydrophobicContact CD1-CD1 4.29Å; I131-L175 HydrophobicContact CD1-CD2 4.24Å; I131-L175 HydrophobicContact CD1-CG 4.14Å
132T37.6Very low42.1Very low58 Ų5863.5 Ų63.536%0.35636%0.364SS..Hα-helixtrans-62.9-30.4175.223.90000112.5L128 D129 L134 S135L128-T132 PolarHBondContact O-N 3.16Å; L128-T132 PolarHBondContact O-OG1 3.33Å; D129-T132 WeakPolarHBondContact CA-OG1 3.26Å; D129-T132 PolarHBondContact O-OG1 2.69Å; D129-T132 VanDerWaalsContact O-OG1 3.05Å; T132-L134 VanDerWaalsContact C-N 3.27Å; T132-L134 PolarHBondContact O-N 3.03Å; T132-S135 WeakPolarHBondContact O-CB 3.3Å; T132-S135 PolarHBondContact O-N 3.14Å; T132-S135 PolarHBondContact O-OG 3.29Å
133H38.7Very low42.4Very low161 Ų16162.6 Ų62.675%0.74535%0.346SS*.Hα-helixtrans-62.9-29.3176.9-125.1-83.1000113.5D129 K130 I131 S135D129-H133 PolarHBondContact O-N 2.75Å; K130-H133 WeakPolarHBondContact O-CB 3.41Å; K130-H133 PolarHBondContact O-N 2.84Å; I131-H133 PolarHBondContact O-N 3.13Å; H133-S135 VanDerWaalsContact C-N 3.32Å; H133-S135 PolarHBondContact O-N 3.11Å
134L41.2Very low42.6Very low25 Ų2561.3 Ų61.313%0.13133%0.33CS..THydrogen-bonded Turntrans-77.2-13.7177.4-71.2162.9000114.1F98 F107 I109 I131 T132 I136 K137 A138F98-L134 HydrophobicContact CB-CD1 3.73Å; F98-L134 HydrophobicContact CB-CD2 4.08Å; F98-L134 HydrophobicContact CB-CG 4.08Å; F98-L134 HydrophobicContact CD1-CD1 3.46Å; F98-L134 VanDerWaalsContact CD1-CD1 3.46Å; F98-L134 HydrophobicContact CD2-CD1 4Å; F98-L134 HydrophobicContact CE1-CD1 3.95Å; F98-L134 HydrophobicContact CE2-CD1 4.45Å; F98-L134 HydrophobicContact CG-CD1 3.47Å; F98-L134 VanDerWaalsContact CG-CD1 3.47Å; F98-L134 HydrophobicContact CG-CG 4.33Å; F98-L134 HydrophobicContact CZ-CD1 4.42Å; F107-L134 HydrophobicContact CZ-CD2 3.85Å; I109-L134 HydrophobicContact CD1-CD1 4.16Å; I131-L134 PolarHBondContact O-N 3.09Å; T132-L134 VanDerWaalsContact C-N 3.27Å; T132-L134 PolarHBondContact O-N 3.03Å; L134-I136 PolarHBondContact O-N 2.83Å; L134-K137 PolarHBondContact O-N 2.98Å; L134-K137 VanDerWaalsContact O-N 3.16Å; L134-A138 HydrophobicContact CB-CB 3.94Å; L134-A138 WeakPolarHBondContact O-CB 3.24Å; L134-A138 PolarHBondContact O-N 3.45Å; L134-A138 VanDerWaalsContact O-N 3.09Å
135S41.4Very low42.6Very low61 Ų6153.8 Ų53.843%0.42729%0.289SS..THydrogen-bonded Turntrans-59.5-20.1-164.362.20000115.7T132 H133 K137T132-S135 WeakPolarHBondContact O-CB 3.3Å; T132-S135 PolarHBondContact O-N 3.14Å; T132-S135 PolarHBondContact O-OG 3.29Å; H133-S135 VanDerWaalsContact C-N 3.32Å; H133-S135 PolarHBondContact O-N 3.11Å; S135-K137 PolarHBondContact O-N 2.71Å
136I45.1Very low42.6Very low158 Ų15855 Ų5581%0.8129%0.294SS*.THydrogen-bonded Turntrans-66.9-27.5-179.6-55.1176.5000111.4L134L134-I136 PolarHBondContact O-N 2.83Å
137K46Very low42.4Very low101 Ų10154 Ų5444%0.43929%0.287SS..THydrogen-bonded Turntrans-128-8.1-179.4-64.4-172-178.5-174.80114.8D104 A106 F107 L134 S135D104-K137 PolarHBondContact O-NZ 2.64Å; A106-K137 VanDerWaalsContact CA-O 3.26Å; A106-K137 WeakPolarHBondContact CA-O 3.44Å; F107-K137 HydrophobicContact CE1-CB 4.45Å; F107-K137 PolarHBondContact N-O 3.43Å; F107-K137 VanDerWaalsContact N-O 3.11Å; L134-K137 PolarHBondContact O-N 2.98Å; L134-K137 VanDerWaalsContact O-N 3.16Å; S135-K137 PolarHBondContact O-N 2.71Å
138A47.9Very low42.1Very low10 Ų1061.9 Ų61.98%0.08332%0.324CS..EExtended strand (participates in β ladder)trans-104.4132.6-176.600000112F107 I109 L134F107-A138 HydrophobicContact CD2-CB 4.23Å; F107-A138 HydrophobicContact CE1-CB 3.95Å; F107-A138 HydrophobicContact CE2-CB 3.64Å; F107-A138 HydrophobicContact CZ-CB 3.47Å; F107-A138 VanDerWaalsContact CZ-CB 3.47Å; F107-A138 WeakPolarHBondContact O-CA 3.34Å; I109-A138 HydrophobicContact CD1-CB 4.24Å; L134-A138 HydrophobicContact CB-CB 3.94Å; L134-A138 WeakPolarHBondContact O-CB 3.24Å; L134-A138 PolarHBondContact O-N 3.45Å; L134-A138 VanDerWaalsContact O-N 3.09Å
139S49.1Very low41.7Very low58 Ų5869.3 Ų69.341%0.40635%0.354SS..EExtended strand (participates in β ladder)trans-102.8124.6163.2-64.50000109F107 E108 I109F107-S139 PolarHBondContact O-N 3.16Å; E108-S139 CarbonylContact C-O 3.54Å; E108-S139 VanDerWaalsContact CA-O 3.3Å; E108-S139 WeakPolarHBondContact CA-O 3.32Å; I109-S139 PolarHBondContact N-O 2.92Å
140I48.3Very low41.4Very low7 Ų767.7 Ų67.74%0.03635%0.348CS..EExtended strand (participates in β ladder)trans-105131.5-173.6-53.7-175.9000108.1I109 L111 I131 I142 T179I109-I140 HydrophobicContact CB-CG1 4.4Å; I109-I140 HydrophobicContact CB-CG2 4.49Å; I109-I140 HydrophobicContact CD1-CD1 4.38Å; I109-I140 HydrophobicContact CD1-CG1 4.12Å; I109-I140 HydrophobicContact CG1-CG1 4.46Å; I109-I140 CarbonylContact O-C 3.59Å; L111-I140 HydrophobicContact CD1-CG2 3.5Å; L111-I140 VanDerWaalsContact CD1-CG2 3.5Å; L111-I140 HydrophobicContact CG-CG2 4.03Å; I131-I140 HydrophobicContact CG2-CD1 3.04Å; I140-I142 HydrophobicContact CG2-CG1 4.49Å; I140-T179 PolarHBondContact O-OG1 2.97Å
141H47.4Very low40.8Very low42 Ų4269.8 Ų69.819%0.19437%0.368CS..EExtended strand (participates in β ladder)trans-124.2103.8-178.6-62.3-81.2000108.9I109 Y110 L111I109-H141 PolarHBondContact O-N 3.38Å; Y110-H141 CarbonylContact C-O 3.59Å; Y110-H141 WeakPolarHBondContact CA-O 3.22Å; Y110-H141 HydrophobicContact CD1-CB 3.7Å; Y110-H141 HydrophobicContact CE1-CB 3.82Å; Y110-H141 AromaticContact CE1-CG 3.95Å; Y110-H141 HydrophobicContact CG-CB 4.26Å; Y110-H141 AromaticContact CZ-CD2 3.89Å; L111-H141 PolarHBondContact N-O 3.33Å
142I46.6Very low40.5Very low3 Ų373.3 Ų73.32%0.01540%0.397CS..EExtended strand (participates in β ladder)trans-84.2119.7176.4-56.7166.3000109.7L111 V113 I140 L144 I172 L175 A176 F180 A181L111-I142 HydrophobicContact CB-CG1 4.38Å; L111-I142 HydrophobicContact CD1-CG1 3.88Å; V113-I142 HydrophobicContact CG2-CG2 4.39Å; I140-I142 HydrophobicContact CG2-CG1 4.49Å; I142-L144 HydrophobicContact CG2-CD2 3.66Å; I142-L144 HydrophobicContact CG2-CG 4.11Å; I142-I172 HydrophobicContact CD1-CB 4.49Å; I142-I172 HydrophobicContact CD1-CG2 3.89Å; I142-L175 HydrophobicContact CD1-CB 4.1Å; I142-L175 HydrophobicContact CD1-CD2 3.44Å; I142-L175 VanDerWaalsContact CD1-CD2 3.44Å; I142-L175 HydrophobicContact CD1-CG 4.37Å; I142-L175 HydrophobicContact CG1-CD2 3.92Å; I142-A176 HydrophobicContact CD1-CB 3.75Å; I142-A176 HydrophobicContact CG1-CB 4.32Å; I142-F180 HydrophobicContact CB-CB 4.44Å; I142-A181 CarbonylContact O-C 3.59Å
143R47.4Very low40.1Very low27 Ų2777.7 Ų77.710%0.10242%0.419CS..EExtended strand (participates in β ladder)trans-109.4107.5172.4-68.7-171.8177.7-170.35.1109.8L111 F112 V113 V183L111-R143 PolarHBondContact O-N 3.23Å; F112-R143 HydrophobicContact CD1-CB 3.91Å; F112-R143 HydrophobicContact CE1-CB 4.1Å; F112-R143 VanDerWaalsContact CE1-CD 3.44Å; F112-R143 HydrophobicContact CE1-CG 4.39Å; V113-R143 PolarHBondContact N-O 2.81Å; V113-R143 VanDerWaalsContact N-O 3.13Å; R143-V183 HydrophobicContact CG-CG2 3.97Å
144L44.6Very low39.6Very low12 Ų1277.8 Ų77.86%0.06342%0.42CS..EExtended strand (participates in β ladder)trans-86.1124.2178.5-58.9176.9000110.7V113 T115 L118 I142 I172V113-L144 HydrophobicContact CB-CD2 4.33Å; V113-L144 WeakPolarHBondContact O-CA 3.19Å; T115-L144 HydrophobicContact CG2-CB 4.16Å; L118-L144 HydrophobicContact CD1-CD1 3.66Å; L118-L144 HydrophobicContact CD1-CD2 3.43Å; L118-L144 VanDerWaalsContact CD1-CD2 3.43Å; L118-L144 HydrophobicContact CD1-CG 4.15Å; L118-L144 HydrophobicContact CD2-CD2 4.01Å; L118-L144 HydrophobicContact CG-CD2 3.91Å; I142-L144 HydrophobicContact CG2-CD2 3.66Å; I142-L144 HydrophobicContact CG2-CG 4.11Å; L144-I172 HydrophobicContact CD1-CD1 3.62Å; L144-I172 HydrophobicContact CD1-CG1 4.49Å
145I41.4Very low39Very low22 Ų2283.4 Ų83.411%0.11345%0.445CS..EExtended strand (participates in β ladder)trans-110.7118.2176.9-44.3176.8000108W25 F31 F112 V113W25-I145 HydrophobicContact CD2-CD1 3.9Å; W25-I145 HydrophobicContact CE3-CD1 4.07Å; W25-I145 HydrophobicContact CE3-CG2 4.43Å; W25-I145 HydrophobicContact CG-CD1 4.47Å; W25-I145 HydrophobicContact CH2-CB 3.57Å; W25-I145 HydrophobicContact CH2-CD1 4.38Å; W25-I145 HydrophobicContact CH2-CG2 3.12Å; W25-I145 HydrophobicContact CZ2-CB 3.33Å; W25-I145 HydrophobicContact CZ2-CD1 4.23Å; W25-I145 HydrophobicContact CZ2-CG1 4.32Å; W25-I145 HydrophobicContact CZ2-CG2 3.51Å; W25-I145 WeakPolarHBondContact CZ2-O 3.2Å; W25-I145 HydrophobicContact CZ3-CB 4.25Å; W25-I145 HydrophobicContact CZ3-CD1 4.27Å; W25-I145 HydrophobicContact CZ3-CG2 3.62Å; F31-I145 HydrophobicContact CD2-CD1 3.38Å; F31-I145 HydrophobicContact CE2-CD1 3.38Å; F31-I145 HydrophobicContact CG-CD1 4.5Å; F31-I145 HydrophobicContact CZ-CD1 4.5Å; F112-I145 HydrophobicContact CB-CD1 4.45Å; F112-I145 HydrophobicContact CD1-CD1 4.03Å; V113-I145 PolarHBondContact O-N 3.47Å; V113-I145 VanDerWaalsContact O-N 3.09Å
146V42.1Very low38.5Very low78 Ų7885.8 Ų85.847%0.47346%0.457SS..  trans-91118.9178-174.30000107.8T115 E148T115-V146 HydrophobicContact CG2-CG2 3.78Å; V146-E148 PolarHBondContact O-N 3.18Å
147P33.8Very low37.8Very low52 Ų5281.9 Ų81.934%0.33844%0.441SS..  trans-66.7129.717624.9-30.5000110.5K149P147-K149 PolarHBondContact O-N 2.77Å
148E34.7Very low37.2Very low185 Ų18581.3 Ų81.386%0.86444%0.439SS*.THydrogen-bonded Turntrans-63.2-7.1178.1-82.6-176.6153.100114.4V146V146-E148 PolarHBondContact O-N 3.18Å
149K28.6Very low36.4Very low194 Ų19482.6 Ų82.684%0.84345%0.447SS*.THydrogen-bonded Turntrans-105.825-165-72.3-166.8176.6-1750116.1P147 V151P147-K149 PolarHBondContact O-N 2.77Å; K149-V151 PolarHBondContact O-N 2.75Å; K149-V151 VanDerWaalsContact O-N 3.14Å
150T29.1Very low35.6Very low84 Ų8487 Ų8752%0.51546%0.461SS..SBendtrans-73.6109.416445.10000108.8A152T150-A152 PolarHBondContact O-N 2.87Å
151V27.7Very low35Very low122 Ų12292.5 Ų92.574%0.73950%0.496SS*.  trans-30.8125.6171.8-175.70000110.4K149 N153 E154K149-V151 PolarHBondContact O-N 2.75Å; K149-V151 VanDerWaalsContact O-N 3.14Å; V151-N153 PolarHBondContact O-N 2.77Å; V151-E154 PolarHBondContact O-N 3.09Å
152A32.9Very low34.4Very low79 Ų7992.9 Ų92.965%0.65350%0.499SS*.THydrogen-bonded Turntrans-56.60.9-160.300000117.7T150T150-A152 PolarHBondContact O-N 2.87Å
153N28.8Very low34Very low150 Ų15099.1 Ų99.180%0.80253%0.532SS*.THydrogen-bonded Turntrans-104.1-9.5-172.4-68.8-7.8000114.7V151V151-N153 PolarHBondContact O-N 2.77Å
154E27.6Very low33.7Very low164 Ų164100 Ų10077%0.76654%0.542SS*.  trans-12758.7178.1-68.5-174.6178.600111.6V151 V156V151-E154 PolarHBondContact O-N 3.09Å; E154-V156 PolarHBondContact O-N 3.18Å; E154-V156 VanDerWaalsContact O-N 3.14Å
155H29.1Very low33.5Very low143 Ų14399.5 Ų99.566%0.66254%0.54SS*.  trans-74.993.9159.1-77.4-66000108P157H155-P157 WeakPolarHBondContact O-CD 3.16Å
156V29.8Very low33.5Very low111 Ų111102.2 Ų102.267%0.67355%0.554SS**  trans-75.4106.4165.1-174.50000106.8E154E154-V156 PolarHBondContact O-N 3.18Å; E154-V156 VanDerWaalsContact O-N 3.14Å
157P31.1Very low33.8Very low75 Ų75104.1 Ų104.149%0.48756%0.558SS.*  trans-65.8136.8177.628.2-32.1000109.3H155 S159 M201H155-P157 WeakPolarHBondContact O-CD 3.16Å; P157-S159 VanDerWaalsContact C-N 3.31Å; P157-S159 PolarHBondContact O-N 2.93Å; P157-M201 HydrophobicContact CB-CE 4.24Å
158F32.6Very low34.4Very low89 Ų89102.3 Ų102.339%0.3955%0.545SS..  trans-59.896.4162.9-100.4-105.6000107.8I168 V220F158-I168 HydrophobicContact CZ-CD1 3.82Å; F158-V220 WeakPolarHBondContact O-CG1 3.4Å; F158-V220 WeakPolarHBondContact O-CG2 3.26Å
159S32Very low35Very low37 Ų3796.6 Ų96.626%0.25952%0.52SS..  trans-84.2143.4168.672.60000108.5P157 T161 D162P157-S159 VanDerWaalsContact C-N 3.31Å; P157-S159 PolarHBondContact O-N 2.93Å; S159-T161 WeakPolarHBondContact CB-OG1 3.31Å; S159-T161 PolarHBondContact O-N 3.36Å; S159-T161 PolarHBondContact OG-OG1 2.89Å; S159-D162 PolarHBondContact N-OD2 3.02Å; S159-D162 WeakPolarHBondContact O-CB 3.43Å; S159-D162 PolarHBondContact O-N 3.44Å; S159-D162 VanDerWaalsContact OG-CG 3.31Å; S159-D162 PolarHBondContact OG-N 2.9Å; S159-D162 PolarHBondContact OG-OD2 3.2Å
160E32.7Very low35.8Very low150 Ų15093 Ų9370%0.70150%0.504SS*.THydrogen-bonded Turntrans-59.2-13.9170.4-73.7178.6161.200112.3
161T34.1Very low36.8Very low123 Ų12389.7 Ų89.776%0.75549%0.485SS*.THydrogen-bonded Turntrans-88.6-11.2172.846.90000114S159 L163S159-T161 WeakPolarHBondContact CB-OG1 3.31Å; S159-T161 PolarHBondContact O-N 3.36Å; S159-T161 PolarHBondContact OG-OG1 2.89Å; T161-L163 PolarHBondContact O-N 3.01Å; T161-L163 VanDerWaalsContact O-N 3.08Å
162D35.5Very low37.8Very low51 Ų5184 Ų8427%0.27345%0.45SS..  trans-76.698.2174.7-91.6-57.9000109S159 S164 G165 I166S159-D162 PolarHBondContact N-OD2 3.02Å; S159-D162 WeakPolarHBondContact O-CB 3.43Å; S159-D162 PolarHBondContact O-N 3.44Å; S159-D162 VanDerWaalsContact OG-CG 3.31Å; S159-D162 PolarHBondContact OG-N 2.9Å; S159-D162 PolarHBondContact OG-OD2 3.2Å; D162-S164 PolarHBondContact O-N 2.71Å; D162-G165 PolarHBondContact O-N 3.32Å; D162-I166 PolarHBondContact O-N 3.41Å
163L39Very low38.4Very low134 Ų13482.1 Ų82.170%0.70243%0.433SS*.Hα-helixtrans-44.5-36.3168.9-73.6160.3000111.6T161 G165 I166 E167T161-L163 PolarHBondContact O-N 3.01Å; T161-L163 VanDerWaalsContact O-N 3.08Å; L163-G165 PolarHBondContact O-N 3.04Å; L163-I166 PolarHBondContact O-N 3.09Å; L163-E167 WeakPolarHBondContact O-CB 3.13Å; L163-E167 WeakPolarHBondContact O-CG 3.44Å; L163-E167 PolarHBondContact O-N 3.13Å
164S39.7Very low39.3Very low44 Ų4480.2 Ų80.231%0.30842%0.419SS..Hα-helixtrans-60.9-38.9177.665.70000113.5D162 E167 I168D162-S164 PolarHBondContact O-N 2.71Å; S164-E167 PolarHBondContact O-N 3.37Å; S164-I168 WeakPolarHBondContact O-CD1 3.43Å; S164-I168 WeakPolarHBondContact O-CG1 3.39Å; S164-I168 PolarHBondContact O-N 3.25Å
165G41.7Very low40.3Very low3 Ų372.9 Ų72.93%0.03139%0.385CS..Hα-helixtrans-71.2-37.5179.700000112.9D162 L163 I168 L169D162-G165 PolarHBondContact O-N 3.32Å; L163-G165 PolarHBondContact O-N 3.04Å; G165-I168 PolarHBondContact O-N 3.27Å; G165-L169 PolarHBondContact O-N 3.23Å; G165-L169 VanDerWaalsContact O-N 3.09Å
166I41.9Very low41Very low78 Ų7866.1 Ų66.140%0.435%0.354SS..Hα-helixtrans-68.1-42.4173.9-64.5174.9000110.1D162 L163 I168 L169 K170D162-I166 PolarHBondContact O-N 3.41Å; L163-I166 PolarHBondContact O-N 3.09Å; I166-I168 VanDerWaalsContact C-N 3.32Å; I166-I168 PolarHBondContact O-N 3.49Å; I166-L169 PolarHBondContact O-N 3.41Å; I166-K170 HydrophobicContact CG2-CD 4.11Å; I166-K170 HydrophobicContact CG2-CG 4.32Å; I166-K170 WeakPolarHBondContact O-CB 3.32Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 2.88Å
167E47.6Very low41.5Very low119 Ų11964.2 Ų64.256%0.55635%0.345SS*.Hα-helixtrans-61.7-39175.7-78.4179.2172.700112.3L163 S164 K170 S171L163-E167 WeakPolarHBondContact O-CB 3.13Å; L163-E167 WeakPolarHBondContact O-CG 3.44Å; L163-E167 PolarHBondContact O-N 3.13Å; S164-E167 PolarHBondContact O-N 3.37Å; E167-K170 PolarHBondContact O-N 3.36Å; E167-S171 WeakPolarHBondContact O-CB 3.4Å; E167-S171 PolarHBondContact O-N 3.48Å; E167-S171 PolarHBondContact O-OG 3.14Å
168I46.8Very low41.8Very low14 Ų1463.1 Ų63.17%0.07235%0.348CS..Hα-helixtrans-60.5-50.9172.6-72.6163.1000110.8L118 Y119 F158 S164 G165 I166 K170 S171 I172L118-I168 HydrophobicContact CB-CG2 4.46Å; L118-I168 HydrophobicContact CD1-CG2 3.79Å; Y119-I168 HydrophobicContact CD1-CG1 4.44Å; Y119-I168 HydrophobicContact CE1-CD1 3.7Å; Y119-I168 HydrophobicContact CE1-CG1 4.06Å; Y119-I168 HydrophobicContact CE2-CD1 4.34Å; F158-I168 HydrophobicContact CZ-CD1 3.82Å; S164-I168 WeakPolarHBondContact O-CD1 3.43Å; S164-I168 WeakPolarHBondContact O-CG1 3.39Å; S164-I168 PolarHBondContact O-N 3.25Å; G165-I168 PolarHBondContact O-N 3.27Å; I166-I168 VanDerWaalsContact C-N 3.32Å; I166-I168 PolarHBondContact O-N 3.49Å; I168-K170 VanDerWaalsContact C-N 3.32Å; I168-K170 PolarHBondContact O-N 3.08Å; I168-S171 PolarHBondContact O-N 2.85Å; I168-I172 HydrophobicContact CG2-CD1 3.54Å; I168-I172 HydrophobicContact CG2-CG1 4.36Å; I168-I172 WeakPolarHBondContact O-CB 3.49Å; I168-I172 WeakPolarHBondContact O-CD1 3.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.42Å; I168-I172 PolarHBondContact O-N 2.81Å
169L46.3Very low41.9Very low65 Ų6562.3 Ų62.334%0.3435%0.35SS..Hα-helixtrans-64.6-36.8179.7-73173000112.3G165 I166 I172 S173 I182G165-L169 PolarHBondContact O-N 3.23Å; G165-L169 VanDerWaalsContact O-N 3.09Å; I166-L169 PolarHBondContact O-N 3.41Å; L169-I172 HydrophobicContact CD2-CD1 4.32Å; L169-I172 PolarHBondContact O-N 3.31Å; L169-S173 VanDerWaalsContact O-CB 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.3Å; L169-S173 PolarHBondContact O-N 2.91Å; L169-I182 HydrophobicContact CD2-CD1 4.3Å
170K46.6Very low42Very low117 Ų11764.2 Ų64.251%0.50935%0.354SS..Hα-helixtrans-60.9-52172-78.3177.5177.6178.60110.7I166 E167 I168 I172 S173 E174I166-K170 HydrophobicContact CG2-CD 4.11Å; I166-K170 HydrophobicContact CG2-CG 4.32Å; I166-K170 WeakPolarHBondContact O-CB 3.32Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 2.88Å; E167-K170 PolarHBondContact O-N 3.36Å; I168-K170 VanDerWaalsContact C-N 3.32Å; I168-K170 PolarHBondContact O-N 3.08Å; K170-I172 VanDerWaalsContact C-N 3.29Å; K170-I172 PolarHBondContact O-N 3.27Å; K170-S173 CarbonylContact O-C 3.6Å; K170-S173 WeakPolarHBondContact O-CA 3.44Å; K170-S173 WeakPolarHBondContact O-CB 3.49Å; K170-S173 PolarHBondContact O-N 3.24Å; K170-S173 PolarHBondContact O-OG 2.99Å; K170-E174 WeakPolarHBondContact O-CB 3.46Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 2.88Å
171S49.7Very low42Very low15 Ų1559.2 Ų59.211%0.10534%0.338CS..Hα-helixtrans-58-41.5178.1-560000111.7E167 I168 L175E167-S171 WeakPolarHBondContact O-CB 3.4Å; E167-S171 PolarHBondContact O-N 3.48Å; E167-S171 PolarHBondContact O-OG 3.14Å; I168-S171 PolarHBondContact O-N 2.85Å; S171-L175 WeakPolarHBondContact O-CB 3.08Å; S171-L175 PolarHBondContact O-N 2.76Å
172I48.6Very low41.9Very low2 Ų256.5 Ų56.51%0.0132%0.319CS..Hα-helixtrans-63.2-45.4174-68.4160.1000110.6L118 I142 L144 I168 L169 K170 E174 L175 A176 F180L118-I172 HydrophobicContact CD1-CD1 3.83Å; L118-I172 HydrophobicContact CD1-CG1 4.11Å; L118-I172 HydrophobicContact CD2-CD1 4.37Å; L118-I172 HydrophobicContact CD2-CG1 3.71Å; I142-I172 HydrophobicContact CD1-CB 4.49Å; I142-I172 HydrophobicContact CD1-CG2 3.89Å; L144-I172 HydrophobicContact CD1-CD1 3.62Å; L144-I172 HydrophobicContact CD1-CG1 4.49Å; I168-I172 HydrophobicContact CG2-CD1 3.54Å; I168-I172 HydrophobicContact CG2-CG1 4.36Å; I168-I172 WeakPolarHBondContact O-CB 3.49Å; I168-I172 WeakPolarHBondContact O-CD1 3.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.42Å; I168-I172 PolarHBondContact O-N 2.81Å; L169-I172 HydrophobicContact CD2-CD1 4.32Å; L169-I172 PolarHBondContact O-N 3.31Å; K170-I172 VanDerWaalsContact C-N 3.29Å; K170-I172 PolarHBondContact O-N 3.27Å; I172-E174 VanDerWaalsContact C-N 3.34Å; I172-L175 PolarHBondContact O-N 3.28Å; I172-A176 WeakPolarHBondContact O-CB 3.2Å; I172-A176 PolarHBondContact O-N 2.84Å; I172-F180 HydrophobicContact CG2-CB 3.84Å; I172-F180 HydrophobicContact CG2-CD1 3.86Å; I172-F180 HydrophobicContact CG2-CD2 3.73Å; I172-F180 HydrophobicContact CG2-CE1 4.35Å; I172-F180 HydrophobicContact CG2-CE2 4.23Å; I172-F180 HydrophobicContact CG2-CG 3.52Å
173S45.9Very low41.6Very low41 Ų4157.6 Ų57.629%0.28733%0.327SS..Hα-helixtrans-66.1-37.8-179.3800000112L169 K170 S177 G178L169-S173 VanDerWaalsContact O-CB 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.3Å; L169-S173 PolarHBondContact O-N 2.91Å; K170-S173 CarbonylContact O-C 3.6Å; K170-S173 WeakPolarHBondContact O-CA 3.44Å; K170-S173 WeakPolarHBondContact O-CB 3.49Å; K170-S173 PolarHBondContact O-N 3.24Å; K170-S173 PolarHBondContact O-OG 2.99Å; S173-S177 CarbonylContact O-C 3.58Å; S173-S177 VanDerWaalsContact O-CA 3.31Å; S173-S177 WeakPolarHBondContact O-CA 3.28Å; S173-S177 PolarHBondContact O-N 2.79Å; S173-G178 PolarHBondContact O-N 3.46Å
174E47.4Very low41.1Very low109 Ų10955.4 Ų55.451%0.50931%0.309SS..Hα-helixtrans-66.2-49.6175.5-73.8169.6-176.200109.7L128 K170 I172 A176 S177L128-E174 HydrophobicContact CD2-CB 4.43Å; K170-E174 WeakPolarHBondContact O-CB 3.46Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 2.88Å; I172-E174 VanDerWaalsContact C-N 3.34Å; E174-A176 VanDerWaalsContact C-N 3.31Å; E174-A176 PolarHBondContact O-N 3Å; E174-S177 PolarHBondContact O-N 2.74Å
175L47.6Very low40.5Very low11 Ų1159.4 Ų59.46%0.05833%0.327CS..Hα-helixtrans-64.8-34.6-179.9-163.2134.8000113L111 F121 L128 I131 I142 S171 I172L111-L175 HydrophobicContact CD1-CD2 3.52Å; F121-L175 HydrophobicContact CB-CD1 4.28Å; F121-L175 HydrophobicContact CD1-CD1 3.32Å; F121-L175 HydrophobicContact CE1-CD1 3.72Å; F121-L175 HydrophobicContact CG-CD1 3.9Å; L128-L175 HydrophobicContact CD2-CB 3.76Å; L128-L175 HydrophobicContact CD2-CD1 3.93Å; L128-L175 HydrophobicContact CD2-CG 4.09Å; I131-L175 HydrophobicContact CD1-CD1 4.29Å; I131-L175 HydrophobicContact CD1-CD2 4.24Å; I131-L175 HydrophobicContact CD1-CG 4.14Å; I142-L175 HydrophobicContact CD1-CB 4.1Å; I142-L175 HydrophobicContact CD1-CD2 3.44Å; I142-L175 VanDerWaalsContact CD1-CD2 3.44Å; I142-L175 HydrophobicContact CD1-CG 4.37Å; I142-L175 HydrophobicContact CG1-CD2 3.92Å; S171-L175 WeakPolarHBondContact O-CB 3.08Å; S171-L175 PolarHBondContact O-N 2.76Å; I172-L175 PolarHBondContact O-N 3.28Å
176A44.7Very low39.7Very low1 Ų161.3 Ų61.31%0.00834%0.339CS..THydrogen-bonded Turntrans-92.3-0.7178.400000114I142 I172 E174 G178 T179 F180I142-A176 HydrophobicContact CD1-CB 3.75Å; I142-A176 HydrophobicContact CG1-CB 4.32Å; I172-A176 WeakPolarHBondContact O-CB 3.2Å; I172-A176 PolarHBondContact O-N 2.84Å; E174-A176 VanDerWaalsContact C-N 3.31Å; E174-A176 PolarHBondContact O-N 3Å; A176-G178 PolarHBondContact O-N 3.49Å; A176-G178 VanDerWaalsContact O-N 3.11Å; A176-T179 WeakPolarHBondContact CB-O 3.44Å; A176-T179 PolarHBondContact O-N 3.32Å; A176-T179 PolarHBondContact O-OG1 3.43Å; A176-F180 HydrophobicContact CB-CB 3.88Å; A176-F180 HydrophobicContact CB-CD1 4.47Å
177S40.5Very low39Very low70 Ų7062 Ų6249%0.4935%0.35SS..THydrogen-bonded Turntrans47.738.6-170.8-59.10000112.8S173 E174S173-S177 CarbonylContact O-C 3.58Å; S173-S177 VanDerWaalsContact O-CA 3.31Å; S173-S177 WeakPolarHBondContact O-CA 3.28Å; S173-S177 PolarHBondContact O-N 2.79Å; E174-S177 PolarHBondContact O-N 2.74Å
178G36.7Very low38Very low53 Ų5363.6 Ų63.655%0.54636%0.356SS..THydrogen-bonded Turntrans86.3-6.5-179.900000116.7S173 A176S173-G178 PolarHBondContact O-N 3.46Å; A176-G178 PolarHBondContact O-N 3.49Å; A176-G178 VanDerWaalsContact O-N 3.11Å
179T34.9Very low37Very low71 Ų7167 Ų6744%0.43638%0.377SS..  trans-102.685.5177.756.40000112.1I140 A176I140-T179 PolarHBondContact O-OG1 2.97Å; A176-T179 WeakPolarHBondContact CB-O 3.44Å; A176-T179 PolarHBondContact O-N 3.32Å; A176-T179 PolarHBondContact O-OG1 3.43Å
180F34.6Very low36.2Very low78 Ų7869.6 Ų69.634%0.34239%0.386SS..  trans-127.6157175.664.6-87.4000112.7I142 I172 A176 I182I142-F180 HydrophobicContact CB-CB 4.44Å; I172-F180 HydrophobicContact CG2-CB 3.84Å; I172-F180 HydrophobicContact CG2-CD1 3.86Å; I172-F180 HydrophobicContact CG2-CD2 3.73Å; I172-F180 HydrophobicContact CG2-CE1 4.35Å; I172-F180 HydrophobicContact CG2-CE2 4.23Å; I172-F180 HydrophobicContact CG2-CG 3.52Å; A176-F180 HydrophobicContact CB-CB 3.88Å; A176-F180 HydrophobicContact CB-CD1 4.47Å; F180-I182 HydrophobicContact CD2-CD1 4.41Å; F180-I182 HydrophobicContact CD2-CG1 3.95Å; F180-I182 HydrophobicContact CE2-CD1 4.01Å; F180-I182 HydrophobicContact CE2-CG1 4.05Å
181A32.1Very low35.4Very low45 Ų4567.4 Ų67.437%0.37238%0.382SS..  trans-136103.1179.200000110.1I142 V183I142-A181 CarbonylContact O-C 3.59Å; A181-V183 PolarHBondContact O-N 3.45Å
182I32.3Very low34.6Very low66 Ų6667.8 Ų67.834%0.33838%0.384SS..  trans-72.9118178.2-56.3177.2000108.9L169 F180L169-I182 HydrophobicContact CD2-CD1 4.3Å; F180-I182 HydrophobicContact CD2-CD1 4.41Å; F180-I182 HydrophobicContact CD2-CG1 3.95Å; F180-I182 HydrophobicContact CE2-CD1 4.01Å; F180-I182 HydrophobicContact CE2-CG1 4.05Å
183V28.2Very low33.6Very low73 Ų7373 Ų7344%0.44242%0.421SS..  trans-10592.1174.3-178.30000108.5R143 A181R143-V183 HydrophobicContact CG-CG2 3.97Å; A181-V183 PolarHBondContact O-N 3.45Å
184R29Very low32.8Very low88 Ų8877.5 Ų77.533%0.33244%0.442SS..  trans-95.3125.8174.1-167.7179.9173.6173.41.3109.6C186 W199 M201R184-C186 WeakPolarHBondContact CD-SG 3.22Å; R184-C186 WeakPolarHBondContact CG-SG 3.44Å; R184-C186 PolarHBondContact NE-SG 3.11Å; R184-C186 PolarHBondContact O-N 2.87Å; R184-W199 HydrophobicContact CB-CE3 4.14Å; R184-W199 HydrophobicContact CB-CH2 4.26Å; R184-W199 HydrophobicContact CB-CZ3 3.67Å; R184-M201 PolarHBondContact NH1-SD 3.11Å; R184-M201 VanDerWaalsContact NH1-SD 3.37Å; R184-M201 PolarHBondContact NH2-SD 2.91Å
185L26.6Very low31.9Very low129 Ų12974.9 Ų74.968%0.67544%0.444SS*.  trans-71.394.5168.6-71.1163.2000107.7
186C25.5Very low31.2Very low42 Ų4277.8 Ų77.828%0.28447%0.465SS..  trans-118.3133.5179.5-84.30000110.2R184 W199R184-C186 WeakPolarHBondContact CD-SG 3.22Å; R184-C186 WeakPolarHBondContact CG-SG 3.44Å; R184-C186 PolarHBondContact NE-SG 3.11Å; R184-C186 PolarHBondContact O-N 2.87Å; C186-W199 HydrophobicContact CB-CE3 4.05Å; C186-W199 HydrophobicContact CB-CZ3 4.09Å
187S26.7Very low30.5Very low92 Ų9281.2 Ų81.264%0.64349%0.485SS*.SBendtrans-79.4-12.8-18047.50000114.4
188F26.7Very low30Very low153 Ų15378.8 Ų78.867%0.67147%0.468SS*.  trans-146.6131.6180-60.3-77.6000113.1
189V27.1Very low29.8Very low86 Ų8680.1 Ų80.152%0.52146%0.456SS..EExtended strand (participates in β ladder)trans-112.2137.3180-179.30000108.9T197V189-T197 HydrophobicContact CG1-CG2 3.37Å
190K28Very low29.4Very low120 Ų12080 Ų8052%0.52245%0.453SS..EExtended strand (participates in β ladder)trans-127169.2166-78.9-157.6-173.5175.10110.8T198 L200K190-T198 PolarHBondContact N-O 3Å; K190-T198 PolarHBondContact O-N 3.27Å; K190-T198 PolarHBondContact O-OG1 3.34Å; K190-L200 HydrophobicContact CB-CD1 4.16Å; K190-L200 HydrophobicContact CD-CD1 3.55Å; K190-L200 HydrophobicContact CG-CD1 3.88Å
191T29.9Very low29.1Very low71 Ų7180.1 Ų80.144%0.43646%0.455SS..EExtended strand (participates in β ladder)trans-122.8132.3-177.9-36.40000108.5G195 C196T191-G195 WeakPolarHBondContact CG2-O 3.44Å; T191-C196 CarbonylContact C-O 2.97Å; T191-C196 VanDerWaalsContact CA-O 3.28Å; T191-C196 WeakPolarHBondContact CA-O 3.46Å; T191-C196 WeakPolarHBondContact CG2-O 3.14Å
192C33.4Very low28.9Very low22 Ų2280.9 Ų80.915%0.14947%0.467CS..  trans-73.4174.9176.274.30000112.1N194 G195 C196 T198C192-N194 PolarHBondContact O-N 2.84Å; C192-N194 VanDerWaalsContact O-N 3.12Å; C192-N194 PolarHBondContact SG-N 3.47Å; C192-N194 VanDerWaalsContact SG-N 3.42Å; C192-G195 PolarHBondContact O-N 3.45Å; C192-C196 PolarHBondContact N-O 3.14Å; C192-C196 VanDerWaalsContact SG-CB 3.57Å; C192-C196 PolarHBondContact SG-N 3.09Å; C192-T198 HydrophobicContact CB-CG2 3.76Å
193S28.3Very low28.7Very low111 Ų11185.8 Ų85.878%0.77649%0.486SS*.THydrogen-bonded Turntrans-57.7-23.8176.955.70000114
194N29.3Very low28.7Very low136 Ų13689 Ų8973%0.72750%0.501SS*.THydrogen-bonded Turntrans-95.49.9178.9-61.8-8.7000112.9C192 C196C192-N194 PolarHBondContact O-N 2.84Å; C192-N194 VanDerWaalsContact O-N 3.12Å; C192-N194 PolarHBondContact SG-N 3.47Å; C192-N194 VanDerWaalsContact SG-N 3.42Å; N194-C196 VanDerWaalsContact C-N 3.32Å; N194-C196 PolarHBondContact O-N 2.87Å
195G27.4Very low28.5Very low54 Ų5491.3 Ų91.356%0.55752%0.516SS*.SBendtrans81.62.4176.800000115.4T191 C192T191-G195 WeakPolarHBondContact CG2-O 3.44Å; C192-G195 PolarHBondContact O-N 3.45Å
196C33Very low28.6Very low73 Ų7396.8 Ų96.849%0.49353%0.527SS..  trans-75.9139.3177.3-48.80000111.2T191 C192 N194 T198T191-C196 CarbonylContact C-O 2.97Å; T191-C196 VanDerWaalsContact CA-O 3.28Å; T191-C196 WeakPolarHBondContact CA-O 3.46Å; T191-C196 WeakPolarHBondContact CG2-O 3.14Å; C192-C196 PolarHBondContact N-O 3.14Å; C192-C196 VanDerWaalsContact SG-CB 3.57Å; C192-C196 PolarHBondContact SG-N 3.09Å; N194-C196 VanDerWaalsContact C-N 3.32Å; N194-C196 PolarHBondContact O-N 2.87Å; C196-T198 PolarHBondContact O-N 3.44Å; C196-T198 VanDerWaalsContact O-N 3.16Å
197T31.1Very low28.8Very low72 Ų7297.7 Ų97.744%0.44254%0.544SS..EExtended strand (participates in β ladder)trans-66.5110.4171.9-470000109.4V189V189-T197 HydrophobicContact CG1-CG2 3.37Å
198T29.6Very low28.8Very low19 Ų19102.8 Ų102.812%0.11756%0.555CS.*EExtended strand (participates in β ladder)trans-104.8140.717750.80000111.1K190 C192 C196K190-T198 PolarHBondContact N-O 3Å; K190-T198 PolarHBondContact O-N 3.27Å; K190-T198 PolarHBondContact O-OG1 3.34Å; C192-T198 HydrophobicContact CB-CG2 3.76Å; C196-T198 PolarHBondContact O-N 3.44Å; C196-T198 VanDerWaalsContact O-N 3.16Å
199W31.6Very low28.9Very low81 Ų8199.8 Ų99.831%0.30755%0.553SS.*EExtended strand (participates in β ladder)trans-98.4108.7-174.8-57.775.4000108.5R184 C186 M201R184-W199 HydrophobicContact CB-CE3 4.14Å; R184-W199 HydrophobicContact CB-CH2 4.26Å; R184-W199 HydrophobicContact CB-CZ3 3.67Å; C186-W199 HydrophobicContact CB-CE3 4.05Å; C186-W199 HydrophobicContact CB-CZ3 4.09Å; W199-M201 PolarHBondContact O-N 3.31Å
200L28Very low29Very low69 Ų69105.3 Ų105.336%0.36157%0.573SS.*  trans-77.9114.6175.9-122147000108.6K190 G202K190-L200 HydrophobicContact CB-CD1 4.16Å; K190-L200 HydrophobicContact CD-CD1 3.55Å; K190-L200 HydrophobicContact CG-CD1 3.88Å; L200-G202 PolarHBondContact O-N 3.23Å
201M27.2Very low28.9Very low80 Ų80107 Ų10739%0.39459%0.586SS.*  trans-70.484.6167.4-67.8-112.5-78.600107.7P157 R184 W199 K203P157-M201 HydrophobicContact CB-CE 4.24Å; R184-M201 PolarHBondContact NH1-SD 3.11Å; R184-M201 VanDerWaalsContact NH1-SD 3.37Å; R184-M201 PolarHBondContact NH2-SD 2.91Å; W199-M201 PolarHBondContact O-N 3.31Å; M201-K203 PolarHBondContact O-N 3.4Å
202G28.3Very low28.8Very low61 Ų61116 Ų11663%0.62961%0.612SS**  trans-68.2122.9-17800000111.5L200 N204L200-G202 PolarHBondContact O-N 3.23Å; G202-N204 PolarHBondContact O-N 2.93Å
203K27.4Very low28.5Very low169 Ų169119.2 Ų119.274%0.73563%0.632SS**  trans-68.8111.5152.4-87.6-173170.8-1720107.4M201 E205M201-K203 PolarHBondContact O-N 3.4Å; K203-E205 VanDerWaalsContact C-N 3.26Å; K203-E205 HydrophobicContact CB-CG 4.42Å; K203-E205 PolarHBondContact O-N 3.19Å
204N28.3Very low28.4Very low142 Ų142119 Ų11976%0.75963%0.63SS**  trans-75.386.5161.1-86.3-20.2000107.8G202 R206G202-N204 PolarHBondContact O-N 2.93Å; N204-R206 PolarHBondContact O-N 3.3Å
205E26.1Very low28.4Very low135 Ų135122.7 Ų122.763%0.63164%0.64SS**  trans-75.582.5164.3-74.3-176.9-177.600108.2K203K203-E205 VanDerWaalsContact C-N 3.26Å; K203-E205 HydrophobicContact CB-CG 4.42Å; K203-E205 PolarHBondContact O-N 3.19Å
206R28.3Very low28.3Very low244 Ų244130 Ų13092%0.92165%0.651SS**  trans-111.3107.7153.8-77.4-163.9-165.1-172.55.9108N204N204-R206 PolarHBondContact O-N 3.3Å
207G28.2Very low27.9Very low61 Ų61131.9 Ų131.963%0.62966%0.664SS**SBendtrans118.4122.516300000113.3
208F27.2Very low27.5Very low199 Ų199137 Ų13787%0.87368%0.68SS**  trans88.297.6156-61.3-79.8000118.7
209S29.8Very low27.3Very low91 Ų91142 Ų14264%0.63670%0.703SS**  trans54.2104.1135.259.60000118.5L211S209-L211 PolarHBondContact O-N 2.74Å
210H29.3Very low26.9Very low201 Ų201140.3 Ų140.393%0.93170%0.701SS**  trans33.371.9141.7-65.1-65000116.8
211L26.2Very low26.7Very low155 Ų155140.3 Ų140.381%0.81270%0.699SS**  trans-124.8126.5147.2-96.9102.8000109.7S209 T213S209-L211 PolarHBondContact O-N 2.74Å; L211-T213 VanDerWaalsContact C-N 3.28Å; L211-T213 PolarHBondContact O-N 2.79Å
212R27.1Very low26.6Very low261 Ų261140.2 Ų140.299%0.98570%0.699SS**  trans-57.286.4177.4-69.5175.2175.7175.5-1.7109.4S214R212-S214 PolarHBondContact O-N 3.17Å
213T25.9Very low26.4Very low90 Ų90142 Ų14255%0.55269%0.691SS**  trans-76.7115.7177.139.10000109.1L211 K215L211-T213 VanDerWaalsContact C-N 3.28Å; L211-T213 PolarHBondContact O-N 2.79Å; T213-K215 PolarHBondContact O-N 3.12Å
214S27Very low26.4Very low106 Ų106141.6 Ų141.674%0.74169%0.694SS**  trans-52.2128.9174.757.80000110.7R212 R216R212-S214 PolarHBondContact O-N 3.17Å; S214-R216 PolarHBondContact O-N 2.91Å
215K29.5Very low26.2Very low213 Ų213140.4 Ų140.493%0.92669%0.687SS**SBendtrans-62.250.3179.3-72.9-177.8171.9178.30115.2T213T213-K215 PolarHBondContact O-N 3.12Å
216R24.9Very low26.2Very low209 Ų209136 Ų13679%0.78967%0.671SS**  trans-129.666.5171.6-74.2-173.5175.5177.1-2.1109.9S214 K218S214-R216 PolarHBondContact O-N 2.91Å; R216-K218 VanDerWaalsContact C-N 3.26Å; R216-K218 PolarHBondContact O-N 2.83Å
217S24.6Very low26.1Very low112 Ų112132.8 Ų132.878%0.78366%0.664SS**  trans-61.795.8153.147.90000107.1E219S217-E219 PolarHBondContact O-N 2.89Å
218K24Very low26.2Very low179 Ų179134 Ų13478%0.77866%0.659SS**  trans-75.9111.8173.6-75.1-173.8175.5-176.10107.7R216 V220R216-K218 VanDerWaalsContact C-N 3.26Å; R216-K218 PolarHBondContact O-N 2.83Å; K218-V220 PolarHBondContact O-N 2.95Å
219E24Very low26.1Very low125 Ų125130.3 Ų130.358%0.58465%0.649SS**  trans-62.2126.8171.2-62.5179.1161.500109S217 Q221S217-E219 PolarHBondContact O-N 2.89Å; E219-Q221 HydrophobicContact CB-CG 4.43Å
220V23.5Very low26.3Very low45 Ų45134 Ų13427%0.27365%0.65SS.*  trans-93.9110166179.30000106.5F158 K218F158-V220 WeakPolarHBondContact O-CG1 3.4Å; F158-V220 WeakPolarHBondContact O-CG2 3.26Å; K218-V220 PolarHBondContact O-N 2.95Å
221Q23.7Very low26.5Very low68 Ų68128.5 Ų128.532%0.31863%0.634SS.*  trans-93.3102.2-178.9-60179.8-2.300108.2E219 H223E219-Q221 HydrophobicContact CB-CG 4.43Å; Q221-H223 VanDerWaalsContact C-N 3.35Å; Q221-H223 PolarHBondContact O-CD2 2.86Å; Q221-H223 PolarHBondContact O-N 2.68Å; Q221-H223 PolarHBondContact OE1-NE2 3.24Å
222I25.3Very low26.8Very low78 Ų78128.5 Ų128.540%0.463%0.63SS.*  trans-76.895.6169.5-57.7175.8000106.9M224I222-M224 PolarHBondContact O-N 2.83Å
223H24.7Very low27.1Very low99 Ų99118.1 Ų118.146%0.45860%0.597SS.*  trans-73.7116.7171.1-66.3-155.6000106.9Q221 L225Q221-H223 VanDerWaalsContact C-N 3.35Å; Q221-H223 PolarHBondContact O-CD2 2.86Å; Q221-H223 PolarHBondContact O-N 2.68Å; Q221-H223 PolarHBondContact OE1-NE2 3.24Å; H223-L225 HydrophobicContact CB-CB 4.49Å; H223-L225 HydrophobicContact CB-CD1 3.86Å; H223-L225 HydrophobicContact CB-CG 3.73Å; H223-L225 PolarHBondContact O-N 3.36Å
224M26.4Very low27.3Very low161 Ų161118.4 Ų118.479%0.79360%0.595SS**  trans-71.272.5156.1-67.8-168.8-61.900106.5I222 S226I222-M224 PolarHBondContact O-N 2.83Å; M224-S226 PolarHBondContact O-N 3.48Å
225L24.4Very low27.4Very low117 Ų117120.9 Ų120.961%0.61359%0.592SS**  trans-62.9109.8174.5-90151.8000106.4H223 F227H223-L225 HydrophobicContact CB-CB 4.49Å; H223-L225 HydrophobicContact CB-CD1 3.86Å; H223-L225 HydrophobicContact CB-CG 3.73Å; H223-L225 PolarHBondContact O-N 3.36Å; L225-F227 PolarHBondContact O-N 3.07Å
226S27.4Very low27.3Very low43 Ų43114.1 Ų114.130%0.30157%0.565SS.*  trans-34.1113.5140.71640000107M224 T228M224-S226 PolarHBondContact O-N 3.48Å; S226-T228 PolarHBondContact O-N 3.47Å
227F26.2Very low27.6Very low176 Ų176110.9 Ų110.977%0.77257%0.571SS**  trans-64.584.9175.9-94-94.6000107.4L225 N229L225-F227 PolarHBondContact O-N 3.07Å; F227-N229 PolarHBondContact O-N 3.4Å
228T28.4Very low28Very low86 Ų86110 Ų11053%0.52857%0.565SS.*  trans-77.2-1.3178.545.70000112.5S226 Y230S226-T228 PolarHBondContact O-N 3.47Å; T228-Y230 HydrophobicContact CG2-CE2 4.47Å; T228-Y230 WeakPolarHBondContact O-CD2 3.3Å; T228-Y230 PolarHBondContact O-N 2.82Å; T228-Y230 VanDerWaalsContact O-N 3.07Å
229N26.2Very low28.2Very low122 Ų122103.5 Ų103.565%0.65255%0.548SS*.  trans-84.873.5164.8-81-15.1000109.9F227 S231F227-N229 PolarHBondContact O-N 3.4Å; N229-S231 PolarHBondContact O-N 3.24Å
230Y33Very low28.4Very low169 Ų169103.7 Ų103.766%0.66355%0.547SS*.THydrogen-bonded Turntrans-53.118.8-177.9-79.3-80.3000117.6T228T228-Y230 HydrophobicContact CG2-CE2 4.47Å; T228-Y230 WeakPolarHBondContact O-CD2 3.3Å; T228-Y230 PolarHBondContact O-N 2.82Å; T228-Y230 VanDerWaalsContact O-N 3.07Å
231S35.3Very low28.6Very low85 Ų85104.7 Ų104.759%0.59455%0.553SS**THydrogen-bonded Turntrans-156.715.8-173.346.10000116.3N229 S233N229-S231 PolarHBondContact O-N 3.24Å; S231-S233 PolarHBondContact O-N 3.05Å
232Q31.8Very low28.8Very low154 Ų154107.9 Ų107.972%0.7256%0.563SS**  trans-81.3101.4167.9-84.1-174.1-12.600110.4
233S33.8Very low29.1Very low44 Ų44108.3 Ų108.331%0.30857%0.569SS.*  trans-71.9119.1173.260.20000109.9S231 K235 V241S231-S233 PolarHBondContact O-N 3.05Å; S233-K235 PolarHBondContact O-N 3.31Å; S233-V241 VanDerWaalsContact CB-CG1 3.4Å
234I30.1Very low29.2Very low96 Ų96109.3 Ų109.349%0.49258%0.582SS.*EExtended strand (participates in β ladder)trans-81.1117.1179.8-59.5172.9000107.7L236 V241 Y242 V244I234-L236 HydrophobicContact CG2-CD2 4.24Å; I234-V241 CarbonylContact O-C 3.58Å; I234-V241 WeakPolarHBondContact O-CA 3.31Å; I234-Y242 PolarHBondContact N-O 3.15Å; I234-Y242 PolarHBondContact O-N 3.36Å; I234-V244 HydrophobicContact CD1-CG2 4.37Å
235K27.9Very low29.2Very low157 Ų157105.9 Ų105.968%0.68357%0.574SS**EExtended strand (participates in β ladder)trans-97.5107.7178.8-168.7173.8-173.2-172.90108.6S233 V241S233-K235 PolarHBondContact O-N 3.31Å; K235-V241 HydrophobicContact CB-CG2 4.14Å; K235-V241 HydrophobicContact CD-CG2 4.34Å; K235-V241 HydrophobicContact CG-CG2 3.84Å
236L27.2Very low29.4Very low71 Ų71107.4 Ų107.437%0.37258%0.582SS.*  trans-72.2158.2176.9-62.3-180000110.4I234 C238 G239 K240 Y242I234-L236 HydrophobicContact CG2-CD2 4.24Å; L236-C238 PolarHBondContact O-N 3.33Å; L236-C238 VanDerWaalsContact O-N 3.09Å; L236-G239 WeakPolarHBondContact O-CA 3.3Å; L236-G239 PolarHBondContact O-N 3.45Å; L236-K240 PolarHBondContact N-O 2.97Å; L236-Y242 HydrophobicContact CD1-CD2 3.83Å; L236-Y242 HydrophobicContact CD1-CE2 3.62Å; L236-Y242 HydrophobicContact CG-CD2 4.26Å; L236-Y242 HydrophobicContact CG-CE2 4.44Å
237P31.1Very low29.3Very low141 Ų141108.1 Ų108.192%0.91659%0.588SS**THydrogen-bonded Turntrans-55-28.7178.4-26.534.6000113.8G239P237-G239 PolarHBondContact O-N 3.27Å; P237-G239 VanDerWaalsContact O-N 3.14Å
238C33.1Very low29.3Very low95 Ų95109.3 Ų109.364%0.64259%0.593SS**THydrogen-bonded Turntrans-72.22.7173.7670000114.4L236 K240L236-C238 PolarHBondContact O-N 3.33Å; L236-C238 VanDerWaalsContact O-N 3.09Å; C238-K240 PolarHBondContact O-N 3.12Å
239G29.5Very low29.3Very low41 Ų41111.7 Ų111.742%0.42360%0.598SS.*SBendtrans81.2-7.918000000114.7L236 P237L236-G239 WeakPolarHBondContact O-CA 3.3Å; L236-G239 PolarHBondContact O-N 3.45Å; P237-G239 PolarHBondContact O-N 3.27Å; P237-G239 VanDerWaalsContact O-N 3.14Å
240K27.7Very low29.3Very low129 Ų129112.2 Ų112.256%0.56160%0.596SS**  trans-72.7134.6176.4-69.4-175.6179.2176.40110.7L236 C238 Y242L236-K240 PolarHBondContact N-O 2.97Å; C238-K240 PolarHBondContact O-N 3.12Å; K240-Y242 HydrophobicContact CB-CD2 4.47Å; K240-Y242 HydrophobicContact CB-CE2 3.76Å
241V28.2Very low28.9Very low67 Ų67109.5 Ų109.541%0.40659%0.589SS.*EExtended strand (participates in β ladder)trans-111.4121.9-174.9178.10000108.6S233 I234 K235S233-V241 VanDerWaalsContact CB-CG1 3.4Å; I234-V241 CarbonylContact O-C 3.58Å; I234-V241 WeakPolarHBondContact O-CA 3.31Å; K235-V241 HydrophobicContact CB-CG2 4.14Å; K235-V241 HydrophobicContact CD-CG2 4.34Å; K235-V241 HydrophobicContact CG-CG2 3.84Å
242Y26.8Very low28.5Very low134 Ų134108.6 Ų108.653%0.52558%0.583SS.*EExtended strand (participates in β ladder)trans-110133.8178.5-69.7-93.9000110.6I234 L236 K240I234-Y242 PolarHBondContact N-O 3.15Å; I234-Y242 PolarHBondContact O-N 3.36Å; L236-Y242 HydrophobicContact CD1-CD2 3.83Å; L236-Y242 HydrophobicContact CD1-CE2 3.62Å; L236-Y242 HydrophobicContact CG-CD2 4.26Å; L236-Y242 HydrophobicContact CG-CE2 4.44Å; K240-Y242 HydrophobicContact CB-CD2 4.47Å; K240-Y242 HydrophobicContact CB-CE2 3.76Å
243V31.1Very low28.2Very low87 Ų87105.8 Ų105.853%0.52758%0.576SS.*  trans-104.5118.9175.4-178.80000107.2S245V243-S245 PolarHBondContact O-N 3.44Å
244V28.6Very low27.8Very low120 Ų120109.8 Ų109.873%0.72759%0.593SS**  trans-74.897.5178.4-177.10000108.2I234I234-V244 HydrophobicContact CD1-CG2 4.37Å
245S26.2Very low27.6Very low90 Ų90109 Ų10963%0.62959%0.589SS**  trans-84.1134.2172.151.90000110.6V243V243-S245 PolarHBondContact O-N 3.44Å
246D27Very low27.6Very low148 Ų148107.7 Ų107.779%0.79158%0.583SS**  trans7887.7163.3-52.1-18.8000116.9K248D246-K248 PolarHBondContact O-N 2.98Å
247S27Very low27.5Very low59 Ų59106 Ų10641%0.41358%0.576SS.*  trans-60.5112.3158.456.50000109.4E249S247-E249 PolarHBondContact O-N 2.88Å
248K26.2Very low27.5Very low201 Ų201101.7 Ų101.787%0.87455%0.547SS*.  trans-64.7107.6163.9-75-179.2179.1170.80108D246D246-K248 PolarHBondContact O-N 2.98Å
249E27.6Very low27.4Very low135 Ų135103.7 Ų103.763%0.63155%0.551SS**PPolyproline II helixtrans-49.8137.5175.4-67.3-179.214300110.8S247 E251S247-E249 PolarHBondContact O-N 2.88Å; E249-E251 PolarHBondContact O-N 3.14Å
250H26.5Very low27.6Very low134 Ų134106.9 Ų106.962%0.6257%0.567SS**PPolyproline II helixtrans-55132.6177.5-70.8-92.2000111.2S252H250-S252 PolarHBondContact O-N 3.18Å
251E25.5Very low27.8Very low112 Ų112102.2 Ų102.252%0.52355%0.552SS.*PPolyproline II helixtrans-63.7121.8173.8-77.2177.9168.900110.9W10 E249 V253 T519W10-E251 VanDerWaalsContact CH2-OE1 3.3Å; W10-E251 WeakPolarHBondContact CH2-OE1 3.36Å; W10-E251 VanDerWaalsContact CH2-OE2 3.31Å; W10-E251 WeakPolarHBondContact CH2-OE2 3.18Å; W10-E251 VanDerWaalsContact CZ2-OE2 3.32Å; W10-E251 WeakPolarHBondContact CZ2-OE2 3.39Å; E249-E251 PolarHBondContact O-N 3.14Å; E251-V253 PolarHBondContact O-N 3.24Å; E251-T519 WeakPolarHBondContact OE1-CG2 3.15Å
252S25.2Very low28.3Very low66 Ų66102.7 Ų102.746%0.46256%0.558SS.*PPolyproline II helixtrans-65.7126.5174.3-51.60000110.9H250H250-S252 PolarHBondContact O-N 3.18Å
253V25.9Very low29.2Very low95 Ų95100.9 Ų100.958%0.57657%0.566SS**  trans-110.7133.8177.6-172.10000110.1E251E251-V253 PolarHBondContact O-N 3.24Å
254L25.6Very low29.8Very low128 Ų128104 Ų10467%0.6757%0.574SS**  trans-75.9128.4176.4-74.7158.7000111.7
255M25.2Very low30.2Very low79 Ų79102.3 Ų102.339%0.38956%0.557SS.*EExtended strand (participates in β ladder)trans-128.9143.2-179-59.2-76.7-67.300110.3W291 R293M255-W291 HydrophobicContact CB-CE3 3.66Å; M255-W291 HydrophobicContact CB-CZ3 4.31Å; M255-W291 HydrophobicContact CE-CB 3.64Å; M255-R293 HydrophobicContact CE-CG 4.49Å; M255-R293 HydrophobicContact SD-CB 4.39Å; M255-R293 HydrophobicContact SD-CG 3.58Å; M255-R293 VanDerWaalsContact SD-CG 3.58Å
256K28.4Very low30.8Very low129 Ų129100.2 Ų100.256%0.56154%0.541SS*.EExtended strand (participates in β ladder)trans-121.9143.5176.3-173.5-177.3174.8-177.90112W291 S292 V294K256-W291 WeakPolarHBondContact O-CA 3.4Å; K256-S292 PolarHBondContact N-O 3.28Å; K256-S292 PolarHBondContact O-N 3.06Å; K256-S292 PolarHBondContact O-OG 2.88Å; K256-V294 HydrophobicContact CB-CG2 3.63Å
257P26.2Very low31.5Very low36 Ų3699.3 Ų99.323%0.23454%0.536CS..EExtended strand (participates in β ladder)trans-64.8139.1170-18.130.6000113.3L259 L290P257-L259 PolarHBondContact O-N 3.19Å; P257-L290 CarbonylContact C-O 3.6Å; P257-L290 VanDerWaalsContact C-O 3.3Å; P257-L290 WeakPolarHBondContact CA-O 3.32Å
258T30.3Very low32.2Very low50 Ų50105 Ų10531%0.30755%0.549SS..  trans-95.290.5-175.9-39.30000106.5S260 L290T258-S260 PolarHBondContact O-N 3.02Å; T258-L290 VanDerWaalsContact CB-O 3.31Å; T258-L290 WeakPolarHBondContact CB-O 3.32Å; T258-L290 PolarHBondContact N-O 2.86Å; T258-L290 PolarHBondContact OG1-O 2.87Å
259L31.2Very low32.6Very low138 Ų138101.2 Ų101.272%0.72353%0.53SS*.  trans-78.11.2-173.3-76166.2000114.3P257 A261 P585P257-L259 PolarHBondContact O-N 3.19Å; L259-A261 PolarHBondContact O-N 3.2Å; L259-P585 HydrophobicContact CD1-CG 4.11Å
260S33Very low33Very low107 Ų10797.9 Ų97.975%0.74851%0.513SS*.  trans-98.261.4178.563.60000111.5T258T258-S260 PolarHBondContact O-N 3.02Å
261A32.9Very low33.4Very low32 Ų3299.3 Ų99.326%0.26451%0.513SS..  trans-97.6127.8163.900000108L259 F265L259-A261 PolarHBondContact O-N 3.2Å; A261-F265 HydrophobicContact CB-CB 4.38Å; A261-F265 HydrophobicContact CB-CD1 3.87Å; A261-F265 HydrophobicContact CB-CG 4.48Å
262S39.2Very low34Very low76 Ų7697.1 Ų97.153%0.53151%0.509SS..  trans-58.5151.1172.7620000110E264 F265 T266S262-E264 PolarHBondContact O-N 3.49Å; S262-E264 VanDerWaalsContact O-N 3.12Å; S262-F265 WeakPolarHBondContact O-CA 3.46Å; S262-F265 WeakPolarHBondContact O-CB 3.42Å; S262-F265 PolarHBondContact O-N 3.44Å; S262-F265 PolarHBondContact OG-N 2.92Å; S262-T266 PolarHBondContact O-N 3.26Å; S262-T266 PolarHBondContact O-OG1 3.35Å
263S44Very low34.6Very low97 Ų97101.3 Ų101.368%0.67852%0.521SS*.Hα-helixtrans-49.7-39.8176.649.80000112.2F265 T266 D267S263-F265 VanDerWaalsContact C-N 3.35Å; S263-F265 PolarHBondContact O-N 2.98Å; S263-T266 PolarHBondContact O-N 2.81Å; S263-D267 PolarHBondContact O-N 3.45Å
264E43.8Very low35.1Very low152 Ų152100.9 Ų100.971%0.7152%0.518SS*.Hα-helixtrans-65.3-32.6177.7-153.4-178.5-166.500113.5S262 R268S262-E264 PolarHBondContact O-N 3.49Å; S262-E264 VanDerWaalsContact O-N 3.12Å; E264-R268 PolarHBondContact O-N 3.42Å
265F37.6Very low35.7Very low84 Ų8497 Ų9737%0.36850%0.502SS..Hα-helixtrans-75.7-40.5173.2-169.4-87.1000111A261 S262 S263 R268 Y269A261-F265 HydrophobicContact CB-CB 4.38Å; A261-F265 HydrophobicContact CB-CD1 3.87Å; A261-F265 HydrophobicContact CB-CG 4.48Å; S262-F265 WeakPolarHBondContact O-CA 3.46Å; S262-F265 WeakPolarHBondContact O-CB 3.42Å; S262-F265 PolarHBondContact O-N 3.44Å; S262-F265 PolarHBondContact OG-N 2.92Å; S263-F265 VanDerWaalsContact C-N 3.35Å; S263-F265 PolarHBondContact O-N 2.98Å; F265-R268 PolarHBondContact O-N 2.93Å; F265-Y269 AromaticContact CD1-CD2 3.99Å; F265-Y269 HydrophobicContact CD1-CD2 3.99Å; F265-Y269 AromaticContact CD2-CD2 3.9Å; F265-Y269 HydrophobicContact CD2-CD2 3.9Å; F265-Y269 AromaticContact CD2-CE2 3.83Å; F265-Y269 HydrophobicContact CD2-CE2 3.83Å; F265-Y269 AromaticContact CE1-CD2 3.85Å; F265-Y269 HydrophobicContact CE1-CD2 3.85Å; F265-Y269 HydrophobicContact CE1-CG 4.46Å; F265-Y269 AromaticContact CE2-CD2 3.74Å; F265-Y269 HydrophobicContact CE2-CD2 3.74Å; F265-Y269 AromaticContact CE2-CE2 3.57Å; F265-Y269 HydrophobicContact CE2-CE2 3.57Å; F265-Y269 HydrophobicContact CG-CD2 4.03Å; F265-Y269 HydrophobicContact CG-CE2 4.4Å; F265-Y269 AromaticContact CZ-CD2 3.72Å; F265-Y269 HydrophobicContact CZ-CD2 3.72Å; F265-Y269 AromaticContact CZ-CE2 3.95Å; F265-Y269 HydrophobicContact CZ-CE2 3.95Å; F265-Y269 HydrophobicContact CZ-CG 4.46Å; F265-Y269 WeakPolarHBondContact O-CD2 2.75Å; F265-Y269 PolarHBondContact O-N 3.04Å
266T38.5Very low36.5Very low47 Ų4799.1 Ų99.129%0.28852%0.521SS..Hα-helixtrans-60.5-50.6178-45.60000110.3S262 S263 R268 Y269 F270S262-T266 PolarHBondContact O-N 3.26Å; S262-T266 PolarHBondContact O-OG1 3.35Å; S263-T266 PolarHBondContact O-N 2.81Å; T266-R268 VanDerWaalsContact C-N 3.27Å; T266-R268 PolarHBondContact O-N 2.91Å; T266-Y269 PolarHBondContact O-N 3.08Å; T266-F270 HydrophobicContact CG2-CB 4.11Å; T266-F270 HydrophobicContact CG2-CD2 3.5Å; T266-F270 VanDerWaalsContact CG2-CD2 3.5Å; T266-F270 HydrophobicContact CG2-CE2 4.03Å; T266-F270 HydrophobicContact CG2-CG 3.96Å; T266-F270 WeakPolarHBondContact O-CA 3.37Å; T266-F270 WeakPolarHBondContact O-CB 3.49Å; T266-F270 PolarHBondContact O-N 3.43Å
267D42.4Very low36.8Very low129 Ų12999.6 Ų99.669%0.6953%0.53SS*.Hα-helixtrans-62.9-30.7179.9-78.2-16.6000113.7S263S263-D267 PolarHBondContact O-N 3.45Å
268R41.4Very low37.1Very low179 Ų17999.2 Ų99.268%0.67553%0.528SS*.Hα-helixtrans-75.3-35-179.9-121.4178.5-174.7166.33.6113.2E264 F265 T266E264-R268 PolarHBondContact O-N 3.42Å; F265-R268 PolarHBondContact O-N 2.93Å; T266-R268 VanDerWaalsContact C-N 3.27Å; T266-R268 PolarHBondContact O-N 2.91Å
269Y35.4Very low37.6Very low120 Ų120106.6 Ų106.647%0.47156%0.556SS.*Hα-helixtrans-117.5-25.1-168.7-64.4-74000114.4F265 T266 R271F265-Y269 AromaticContact CD1-CD2 3.99Å; F265-Y269 HydrophobicContact CD1-CD2 3.99Å; F265-Y269 AromaticContact CD2-CD2 3.9Å; F265-Y269 HydrophobicContact CD2-CD2 3.9Å; F265-Y269 AromaticContact CD2-CE2 3.83Å; F265-Y269 HydrophobicContact CD2-CE2 3.83Å; F265-Y269 AromaticContact CE1-CD2 3.85Å; F265-Y269 HydrophobicContact CE1-CD2 3.85Å; F265-Y269 HydrophobicContact CE1-CG 4.46Å; F265-Y269 AromaticContact CE2-CD2 3.74Å; F265-Y269 HydrophobicContact CE2-CD2 3.74Å; F265-Y269 AromaticContact CE2-CE2 3.57Å; F265-Y269 HydrophobicContact CE2-CE2 3.57Å; F265-Y269 HydrophobicContact CG-CD2 4.03Å; F265-Y269 HydrophobicContact CG-CE2 4.4Å; F265-Y269 AromaticContact CZ-CD2 3.72Å; F265-Y269 HydrophobicContact CZ-CD2 3.72Å; F265-Y269 AromaticContact CZ-CE2 3.95Å; F265-Y269 HydrophobicContact CZ-CE2 3.95Å; F265-Y269 HydrophobicContact CZ-CG 4.46Å; F265-Y269 WeakPolarHBondContact O-CD2 2.75Å; F265-Y269 PolarHBondContact O-N 3.04Å; T266-Y269 PolarHBondContact O-N 3.08Å; Y269-R271 VanDerWaalsContact C-N 3.25Å; Y269-R271 PolarHBondContact O-N 2.76Å
270F34.3Very low37.8Very low65 Ų65105 Ų10529%0.28555%0.549SS..  trans-85.870.8162.1-72.3-98.6000108.7T266 P272 C284 L290T266-F270 HydrophobicContact CG2-CB 4.11Å; T266-F270 HydrophobicContact CG2-CD2 3.5Å; T266-F270 VanDerWaalsContact CG2-CD2 3.5Å; T266-F270 HydrophobicContact CG2-CE2 4.03Å; T266-F270 HydrophobicContact CG2-CG 3.96Å; T266-F270 WeakPolarHBondContact O-CA 3.37Å; T266-F270 WeakPolarHBondContact O-CB 3.49Å; T266-F270 PolarHBondContact O-N 3.43Å; F270-P272 WeakPolarHBondContact O-CD 3.25Å; F270-C284 HydrophobicContact CD1-CB 4.28Å; F270-L290 HydrophobicContact CE1-CD1 4.41Å; F270-L290 HydrophobicContact CE2-CD1 3.59Å; F270-L290 HydrophobicContact CZ-CD1 3.32Å
271R36.6Very low38Very low164 Ų164105 Ų10562%0.61954%0.544SS*.  trans-83107.6160.2-73.6-171.8-179.5-172.8-1.5107.1Y269 H273 T274Y269-R271 VanDerWaalsContact C-N 3.25Å; Y269-R271 PolarHBondContact O-N 2.76Å; R271-H273 PolarHBondContact O-N 3.06Å; R271-T274 HydrophobicContact CB-CG2 3.72Å; R271-T274 PolarHBondContact O-N 2.85Å; R271-T274 VanDerWaalsContact O-N 3.1Å; R271-T274 PolarHBondContact O-OG1 3.17Å
272P38Very low38.1Very low67 Ų67107.6 Ų107.644%0.43556%0.56SS.*THydrogen-bonded Turntrans-57.3-8.5179.120.3-31.3000113.8F270F270-P272 WeakPolarHBondContact O-CD 3.25Å
273H36.3Very low37.6Very low154 Ų154108.6 Ų108.671%0.71356%0.56SS**THydrogen-bonded Turntrans-107.514.3-178.8-51.5-50.3000114.9R271R271-H273 PolarHBondContact O-N 3.06Å
274T37.6Very low37.1Very low85 Ų85107.4 Ų107.452%0.52155%0.551SS.*  trans-102.2-1.5-17748.50000115.8R271 P276R271-T274 HydrophobicContact CB-CG2 3.72Å; R271-T274 PolarHBondContact O-N 2.85Å; R271-T274 VanDerWaalsContact O-N 3.1Å; R271-T274 PolarHBondContact O-OG1 3.17Å; T274-P276 WeakPolarHBondContact O-CD 3.38Å
275C37.4Very low36.5Very low48 Ų48104 Ų10432%0.32454%0.543SS..  trans-92.8104.4165.6-166.90000108.9N277 S278C275-N277 PolarHBondContact O-N 3.37Å; C275-S278 PolarHBondContact O-N 2.75Å; C275-S278 PolarHBondContact O-OG 3.19Å
276P41.1Very low36.3Very low123 Ų123104.1 Ų104.180%0.79955%0.546SS*.THydrogen-bonded Turntrans-63.7-5179.723.3-32.1000114.1T274T274-P276 WeakPolarHBondContact O-CD 3.38Å
277N35.9Very low36Very low138 Ų138106 Ų10674%0.73855%0.552SS**THydrogen-bonded Turntrans-113.62.2-178.8-67.5-19000114.3C275C275-N277 PolarHBondContact O-N 3.37Å
278S33.1Very low35.5Very low29 Ų29102.1 Ų102.120%0.20353%0.533CS..  trans-92112.2174.359.60000110.1C275 D280C275-S278 PolarHBondContact O-N 2.75Å; C275-S278 PolarHBondContact O-OG 3.19Å; S278-D280 VanDerWaalsContact C-N 3.3Å
279F39.1Very low35Very low205 Ų20599 Ų9990%0.89953%0.526SS*.SBendtrans-75.8-17.7179.3-80.1-84.5000113.4
280D37Very low34.6Very low105 Ų10594 Ų9456%0.56151%0.508SS*.SBendtrans-114.9138.1177.9-81.7-45000111.8S278 S282 D283S278-D280 VanDerWaalsContact C-N 3.3Å; D280-S282 PolarHBondContact O-N 2.96Å; D280-S282 VanDerWaalsContact O-N 3.13Å; D280-D283 PolarHBondContact O-N 3.32Å; D280-D283 VanDerWaalsContact O-N 3.12Å
281T36.3Very low34.3Very low106 Ų10696.3 Ų96.365%0.6551%0.514SS*.THydrogen-bonded Turntrans-65.2-12.4179.148.80000113.6
282S36.1Very low33.9Very low87 Ų8791 Ų9161%0.60850%0.502SS*.THydrogen-bonded Turntrans-86.3-10.8175.153.90000114.3D280 C284D280-S282 PolarHBondContact O-N 2.96Å; D280-S282 VanDerWaalsContact O-N 3.13Å; S282-C284 PolarHBondContact O-N 2.89Å
283D28.9Very low33.4Very low96 Ų9696.3 Ų96.351%0.51351%0.514SS..  trans-8262.8178.6-80.3-12.1000110.7D280 C285D280-D283 PolarHBondContact O-N 3.32Å; D280-D283 VanDerWaalsContact O-N 3.12Å; D283-C285 PolarHBondContact O-N 3.38Å
284C31.9Very low33Very low73 Ų7392.4 Ų92.449%0.49350%0.501SS..  trans-70.595.7169.446.10000109.2F270 S282 I286F270-C284 HydrophobicContact CD1-CB 4.28Å; S282-C284 PolarHBondContact O-N 2.89Å; C284-I286 PolarHBondContact O-N 3.21Å
285C32.5Very low32.6Very low80 Ų8093.4 Ų93.454%0.54151%0.511SS..  trans-56.7101.8167.4-65.70000108.5D283 H287D283-C285 PolarHBondContact O-N 3.38Å; C285-H287 PolarHBondContact O-N 2.83Å
286I32.6Very low32.3Very low87 Ų8795.4 Ų95.445%0.44652%0.522SS..  trans-62.4100.2175.9-59.8176.7000107C284 L290C284-I286 PolarHBondContact O-N 3.21Å; I286-L290 HydrophobicContact CG2-CB 4Å; I286-L290 HydrophobicContact CG2-CD1 3.56Å; I286-L290 HydrophobicContact CG2-CG 4.44Å
287H32.6Very low31.9Very low87 Ų8794.2 Ų94.240%0.40351%0.509SS..  trans-55.7138.3-172.9-108.3-61.3000111.5C285 H289 L290C285-H287 PolarHBondContact O-N 2.83Å; H287-H289 VanDerWaalsContact CB-NE2 3.31Å; H287-H289 WeakPolarHBondContact CB-NE2 3.32Å; H287-H289 AromaticContact CG-CE1 3.53Å; H287-H289 AromaticContact CG-NE2 3.41Å; H287-H289 AromaticContact ND1-CE1 3.34Å; H287-H289 PolarHBondContact ND1-CE1 2.98Å; H287-H289 VanDerWaalsContact ND1-CE1 3.34Å; H287-H289 AromaticContact ND1-NE2 3.7Å; H287-H289 PolarHBondContact O-N 2.83Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 3.14Å
288P32.4Very low32Very low46 Ų4695 Ų9530%0.29951%0.507SS..G310 helixtrans-57.1-20.1-172.1-28.134.2000116.4L290 W291P288-L290 PolarHBondContact O-N 3.39Å; P288-L290 VanDerWaalsContact O-N 3.15Å; P288-W291 WeakPolarHBondContact O-CB 3.4Å; P288-W291 PolarHBondContact O-N 3.21Å
289H29.8Very low32.2Very low114 Ų114100.2 Ų100.253%0.52853%0.527SS..G310 helixtrans-65-13.6174.611-68.5000112.5H287 W291H287-H289 VanDerWaalsContact CB-NE2 3.31Å; H287-H289 WeakPolarHBondContact CB-NE2 3.32Å; H287-H289 AromaticContact CG-CE1 3.53Å; H287-H289 AromaticContact CG-NE2 3.41Å; H287-H289 AromaticContact ND1-CE1 3.34Å; H287-H289 PolarHBondContact ND1-CE1 2.98Å; H287-H289 VanDerWaalsContact ND1-CE1 3.34Å; H287-H289 AromaticContact ND1-NE2 3.7Å; H287-H289 PolarHBondContact O-N 2.83Å; H289-W291 VanDerWaalsContact C-N 3.29Å
290L26.9Very low32.1Very low16 Ų1694.1 Ų94.18%0.08450%0.503CS..G310 helixtrans-85.75.6170.5-61165.3000112.2P257 T258 F270 I286 H287 P288P257-L290 CarbonylContact C-O 3.6Å; P257-L290 VanDerWaalsContact C-O 3.3Å; P257-L290 WeakPolarHBondContact CA-O 3.32Å; T258-L290 VanDerWaalsContact CB-O 3.31Å; T258-L290 WeakPolarHBondContact CB-O 3.32Å; T258-L290 PolarHBondContact N-O 2.86Å; T258-L290 PolarHBondContact OG1-O 2.87Å; F270-L290 HydrophobicContact CE1-CD1 4.41Å; F270-L290 HydrophobicContact CE2-CD1 3.59Å; F270-L290 HydrophobicContact CZ-CD1 3.32Å; I286-L290 HydrophobicContact CG2-CB 4Å; I286-L290 HydrophobicContact CG2-CD1 3.56Å; I286-L290 HydrophobicContact CG2-CG 4.44Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 3.14Å; P288-L290 PolarHBondContact O-N 3.39Å; P288-L290 VanDerWaalsContact O-N 3.15Å
291W28.9Very low32.1Very low112 Ų11291.7 Ų91.742%0.42449%0.492SS..EExtended strand (participates in β ladder)trans-104.6115178.9-6467.8000110.1M255 K256 P288 H289M255-W291 HydrophobicContact CB-CE3 3.66Å; M255-W291 HydrophobicContact CB-CZ3 4.31Å; M255-W291 HydrophobicContact CE-CB 3.64Å; K256-W291 WeakPolarHBondContact O-CA 3.4Å; P288-W291 WeakPolarHBondContact O-CB 3.4Å; P288-W291 PolarHBondContact O-N 3.21Å; H289-W291 VanDerWaalsContact C-N 3.29Å
292S28.3Very low32.4Very low52 Ų5291.3 Ų91.336%0.36449%0.486SS..EExtended strand (participates in β ladder)trans-97138.517454.50000110.4K256 V294K256-S292 PolarHBondContact N-O 3.28Å; K256-S292 PolarHBondContact O-N 3.06Å; K256-S292 PolarHBondContact O-OG 2.88Å; S292-V294 PolarHBondContact O-N 3.33Å
293R27.7Very low32.6Very low180 Ų18088.4 Ų88.468%0.67946%0.463SS*.EExtended strand (participates in β ladder)trans-64.1121.7168.9-87.4-177.5173.9166.3-1.1108.1M255 S295M255-R293 HydrophobicContact CE-CG 4.49Å; M255-R293 HydrophobicContact SD-CB 4.39Å; M255-R293 HydrophobicContact SD-CG 3.58Å; M255-R293 VanDerWaalsContact SD-CG 3.58Å; R293-S295 PolarHBondContact O-N 3.06Å
294V27.5Very low33.2Very low72 Ų7286.1 Ų86.144%0.43645%0.451SS..  trans-76.6109.1171.9-1750000106.9K256 S292 V296K256-V294 HydrophobicContact CB-CG2 3.63Å; S292-V294 PolarHBondContact O-N 3.33Å; V294-V296 PolarHBondContact O-N 3.05Å; V294-V296 VanDerWaalsContact O-N 3.17Å
295S28.9Very low33.6Very low105 Ų10584.4 Ų84.473%0.73444%0.437SS*.  trans-59.6120163.8500000107.2R293 N297R293-S295 PolarHBondContact O-N 3.06Å; S295-N297 PolarHBondContact O-N 3.41Å
296V31.5Very low34.1Very low91 Ų9186.3 Ų86.355%0.55243%0.433SS*.  trans-54.5111.2-179.1-161.30000107.3V294 E298 L300 V301V294-V296 PolarHBondContact O-N 3.05Å; V294-V296 VanDerWaalsContact O-N 3.17Å; V296-E298 PolarHBondContact O-N 3.26Å; V296-L300 HydrophobicContact CG1-CD2 4.08Å; V296-V301 HydrophobicContact CB-CG2 3.96Å; V296-V301 HydrophobicContact CG1-CG2 3.29Å
297N32.8Very low34.7Very low98 Ų9885.1 Ų85.152%0.52442%0.423SS..  trans-57.1125.4-179.1-179.3-19.3000107S295 K299 L300 V301S295-N297 PolarHBondContact O-N 3.41Å; N297-K299 PolarHBondContact O-N 3.44Å; N297-K299 VanDerWaalsContact O-N 3.12Å; N297-K299 WeakPolarHBondContact OD1-CB 3.33Å; N297-K299 PolarHBondContact OD1-N 2.88Å; N297-L300 HydrophobicContact CB-CB 3.96Å; N297-L300 CarbonylContact O-C 3.51Å; N297-L300 VanDerWaalsContact O-CA 3.32Å; N297-L300 WeakPolarHBondContact O-CA 3.43Å; N297-L300 VanDerWaalsContact O-CB 3.24Å; N297-L300 WeakPolarHBondContact O-CB 3.23Å; N297-L300 PolarHBondContact O-N 3.01Å; N297-V301 PolarHBondContact O-N 3.49Å
298E36.4Very low35.1Very low153 Ų15381 Ų8172%0.71540%0.404SS*.Hα-helixtrans-56-32178.9-74.7-175.2171.100111.3V296 V301 N302V296-E298 PolarHBondContact O-N 3.26Å; E298-V301 PolarHBondContact O-N 3.41Å; E298-N302 VanDerWaalsContact O-CB 3.23Å; E298-N302 WeakPolarHBondContact O-CB 3.47Å; E298-N302 PolarHBondContact O-N 3.44Å; E298-N302 PolarHBondContact O-ND2 3.12Å
299K37.8Very low35.6Very low140 Ų14083.3 Ų83.361%0.60941%0.407SS*.Hα-helixtrans-62.2-42.5171.4-166.5177.9178.9-178.30111.7N297 N302 D303N297-K299 PolarHBondContact O-N 3.44Å; N297-K299 VanDerWaalsContact O-N 3.12Å; N297-K299 WeakPolarHBondContact OD1-CB 3.33Å; N297-K299 PolarHBondContact OD1-N 2.88Å; K299-N302 PolarHBondContact O-N 2.75Å; K299-D303 WeakPolarHBondContact O-CB 3.49Å; K299-D303 PolarHBondContact O-N 3.01Å
300L37.8Very low36.5Very low77 Ų7782.2 Ų82.240%0.40340%0.402SS..Hα-helixtrans-62.4-45.8173.3-178.873.6000110.9V296 N297 N302 D303 L304V296-L300 HydrophobicContact CG1-CD2 4.08Å; N297-L300 HydrophobicContact CB-CB 3.96Å; N297-L300 CarbonylContact O-C 3.51Å; N297-L300 VanDerWaalsContact O-CA 3.32Å; N297-L300 WeakPolarHBondContact O-CA 3.43Å; N297-L300 VanDerWaalsContact O-CB 3.24Å; N297-L300 WeakPolarHBondContact O-CB 3.23Å; N297-L300 PolarHBondContact O-N 3.01Å; L300-N302 VanDerWaalsContact C-N 3.35Å; L300-N302 PolarHBondContact O-N 2.79Å; L300-D303 PolarHBondContact O-N 3Å; L300-L304 WeakPolarHBondContact O-CB 3.29Å; L300-L304 PolarHBondContact O-N 2.69Å
301V37.6Very low37.2Very low54 Ų5482 Ų8233%0.32740%0.402SS..Hα-helixtrans-62-44.1177.2179.50000111.1V296 N297 E298 L304 N305V296-V301 HydrophobicContact CB-CG2 3.96Å; V296-V301 HydrophobicContact CG1-CG2 3.29Å; N297-V301 PolarHBondContact O-N 3.49Å; E298-V301 PolarHBondContact O-N 3.41Å; V301-L304 PolarHBondContact O-N 3.49Å; V301-N305 VanDerWaalsContact O-CB 3.25Å; V301-N305 WeakPolarHBondContact O-CB 3.35Å; V301-N305 PolarHBondContact O-N 2.96Å; V301-N305 PolarHBondContact O-ND2 3.23Å
302N41.1Very low37.9Very low98 Ų9876.8 Ų76.852%0.52438%0.383SS..Hα-helixtrans-68.9-41.1-179.6-71.9-23.8000111.7E298 K299 L300 N305 R306E298-N302 VanDerWaalsContact O-CB 3.23Å; E298-N302 WeakPolarHBondContact O-CB 3.47Å; E298-N302 PolarHBondContact O-N 3.44Å; E298-N302 PolarHBondContact O-ND2 3.12Å; K299-N302 PolarHBondContact O-N 2.75Å; L300-N302 VanDerWaalsContact C-N 3.35Å; L300-N302 PolarHBondContact O-N 2.79Å; N302-N305 PolarHBondContact O-N 3.42Å; N302-R306 WeakPolarHBondContact O-CB 3.38Å; N302-R306 PolarHBondContact O-N 3.17Å
303D40.8Very low38.7Very low25 Ų2580.2 Ų80.213%0.13439%0.391CS..Hα-helixtrans-68.4-38.4174.8-74.7-23.6000111K299 L300 R306 R307 L599K299-D303 WeakPolarHBondContact O-CB 3.49Å; K299-D303 PolarHBondContact O-N 3.01Å; L300-D303 PolarHBondContact O-N 3Å; D303-R306 PolarHBondContact O-N 3.22Å; D303-R306 IonicContact OD1-CZ 3.8Å; D303-R306 IonicContact OD1-NH1 2.91Å; D303-R306 PolarHBondContact OD1-NH1 2.86Å; D303-R306 IonicContact OD1-NH2 3.41Å; D303-R306 PolarHBondContact OD1-NH2 3.02Å; D303-R307 WeakPolarHBondContact O-CB 3.29Å; D303-R307 WeakPolarHBondContact O-CG 3.45Å; D303-R307 PolarHBondContact O-N 3.18Å; D303-L599 HydrophobicContact CB-CD2 4.41Å
304L40.6Very low39.5Very low48 Ų4875.3 Ų75.325%0.25138%0.378SS..Hα-helixtrans-62.6-47.7172.6-165.886.4000110.3L300 V301 R306 R307 I308 L514 M518L300-L304 WeakPolarHBondContact O-CB 3.29Å; L300-L304 PolarHBondContact O-N 2.69Å; V301-L304 PolarHBondContact O-N 3.49Å; L304-R306 VanDerWaalsContact C-N 3.31Å; L304-R306 PolarHBondContact O-N 2.94Å; L304-R307 PolarHBondContact O-N 3.4Å; L304-I308 HydrophobicContact CD2-CD1 3.98Å; L304-I308 HydrophobicContact CG-CD1 3.79Å; L304-I308 HydrophobicContact CG-CG1 4.46Å; L304-I308 WeakPolarHBondContact O-CB 3.24Å; L304-I308 WeakPolarHBondContact O-CD1 2.98Å; L304-I308 WeakPolarHBondContact O-CG1 3.13Å; L304-I308 PolarHBondContact O-N 3.15Å; L304-L514 HydrophobicContact CD1-CD1 3.7Å; L304-L514 HydrophobicContact CD1-CD2 3.58Å; L304-L514 HydrophobicContact CD1-CG 4.15Å; L304-L514 HydrophobicContact CG-CD1 4.24Å; L304-M518 HydrophobicContact CD2-CE 3.51Å
305N40.7Very low40.3Very low38 Ų3871.9 Ų71.920%0.20336%0.357CS..Hα-helixtrans-61.8-39.6175.6-75.4-24.9000111.3V301 N302 Y309V301-N305 VanDerWaalsContact O-CB 3.25Å; V301-N305 WeakPolarHBondContact O-CB 3.35Å; V301-N305 PolarHBondContact O-N 2.96Å; V301-N305 PolarHBondContact O-ND2 3.23Å; N302-N305 PolarHBondContact O-N 3.42Å; N305-Y309 WeakPolarHBondContact O-CB 3.36Å; N305-Y309 PolarHBondContact O-N 2.78Å
306R44.1Very low40.9Very low120 Ų12068.4 Ų68.445%0.45334%0.335SS..Hα-helixtrans-63.8-49.6174.7-175.618071.1-122.4-6.9110.9N302 D303 L304 I308 Y309 E310N302-R306 WeakPolarHBondContact O-CB 3.38Å; N302-R306 PolarHBondContact O-N 3.17Å; D303-R306 PolarHBondContact O-N 3.22Å; D303-R306 IonicContact OD1-CZ 3.8Å; D303-R306 IonicContact OD1-NH1 2.91Å; D303-R306 PolarHBondContact OD1-NH1 2.86Å; D303-R306 IonicContact OD1-NH2 3.41Å; D303-R306 PolarHBondContact OD1-NH2 3.02Å; L304-R306 VanDerWaalsContact C-N 3.31Å; L304-R306 PolarHBondContact O-N 2.94Å; R306-I308 PolarHBondContact O-N 3.41Å; R306-Y309 CarbonylContact O-C 3.55Å; R306-Y309 WeakPolarHBondContact O-CB 3.38Å; R306-Y309 PolarHBondContact O-N 3.44Å; R306-Y309 VanDerWaalsContact O-N 3.15Å; R306-E310 HydrophobicContact CG-CG 4.41Å; R306-E310 WeakPolarHBondContact CG-OE1 3.32Å; R306-E310 IonicContact NE-OE1 2.75Å; R306-E310 WeakPolarHBondContact O-CB 3.2Å; R306-E310 WeakPolarHBondContact O-CG 3.42Å; R306-E310 PolarHBondContact O-N 2.91Å
307R44.9Very low41.4Very low62 Ų6267.2 Ų67.223%0.23433%0.326CS..Hα-helixtrans-61.7-43.1177.5-77.5-177.6175.4-168.1-3.8111.4D303 L304 Y309 E310 S311 D598D303-R307 WeakPolarHBondContact O-CB 3.29Å; D303-R307 WeakPolarHBondContact O-CG 3.45Å; D303-R307 PolarHBondContact O-N 3.18Å; L304-R307 PolarHBondContact O-N 3.4Å; R307-Y309 VanDerWaalsContact C-N 3.31Å; R307-Y309 PolarHBondContact O-N 3.29Å; R307-E310 PolarHBondContact O-N 2.82Å; R307-S311 VanDerWaalsContact O-CB 3.27Å; R307-S311 WeakPolarHBondContact O-CB 3.35Å; R307-S311 PolarHBondContact O-N 2.83Å; R307-S311 PolarHBondContact O-OG 3.2Å; R307-D598 VanDerWaalsContact NH2-C 3.31Å; R307-D598 PolarHBondContact NH2-O 3.46Å
308I41.4Very low41.8Very low1 Ų164.4 Ų64.41%0.00531%0.314CS..Hα-helixtrans-66-37.4175.8-64.1162.9000110.6L304 R306 A312 L514 M518 L526 T530L304-I308 HydrophobicContact CD2-CD1 3.98Å; L304-I308 HydrophobicContact CG-CD1 3.79Å; L304-I308 HydrophobicContact CG-CG1 4.46Å; L304-I308 WeakPolarHBondContact O-CB 3.24Å; L304-I308 WeakPolarHBondContact O-CD1 2.98Å; L304-I308 WeakPolarHBondContact O-CG1 3.13Å; L304-I308 PolarHBondContact O-N 3.15Å; R306-I308 PolarHBondContact O-N 3.41Å; I308-A312 WeakPolarHBondContact O-CB 3.34Å; I308-A312 PolarHBondContact O-N 2.81Å; I308-L514 HydrophobicContact CD1-CB 4.42Å; I308-L514 HydrophobicContact CD1-CD1 4.1Å; I308-L514 HydrophobicContact CG1-CD1 3.7Å; I308-M518 HydrophobicContact CD1-CE 3.56Å; I308-L526 HydrophobicContact CB-CD1 4.19Å; I308-L526 HydrophobicContact CD1-CD1 4.19Å; I308-L526 HydrophobicContact CD1-CD2 4.09Å; I308-L526 HydrophobicContact CG2-CD1 3.66Å; I308-L526 HydrophobicContact CG2-CD2 3.71Å; I308-L526 HydrophobicContact CG2-CG 3.96Å; I308-T530 HydrophobicContact CG2-CG2 4.33Å
309Y42.5Very low41.8Very low94 Ų9457.7 Ų57.737%0.36928%0.282SS..Hα-helixtrans-64.8-45.1174.1179.4-93.8000111.9N305 R306 R307 A312 K313 T530 L532N305-Y309 WeakPolarHBondContact O-CB 3.36Å; N305-Y309 PolarHBondContact O-N 2.78Å; R306-Y309 CarbonylContact O-C 3.55Å; R306-Y309 WeakPolarHBondContact O-CB 3.38Å; R306-Y309 PolarHBondContact O-N 3.44Å; R306-Y309 VanDerWaalsContact O-N 3.15Å; R307-Y309 VanDerWaalsContact C-N 3.31Å; R307-Y309 PolarHBondContact O-N 3.29Å; Y309-A312 PolarHBondContact O-N 3.12Å; Y309-K313 VanDerWaalsContact O-CB 3.26Å; Y309-K313 WeakPolarHBondContact O-CB 3.08Å; Y309-K313 PolarHBondContact O-N 2.79Å; Y309-T530 HydrophobicContact CD2-CG2 4.24Å; Y309-L532 HydrophobicContact CE2-CD1 4.41Å
310E47.5Very low41.9Very low91 Ų9154.5 Ų54.543%0.42527%0.268SS..Hα-helixtrans-62.2-50.3174.8-74.1168.3-179.800110.8R306 R307 A312 K313 D314R306-E310 HydrophobicContact CG-CG 4.41Å; R306-E310 WeakPolarHBondContact CG-OE1 3.32Å; R306-E310 IonicContact NE-OE1 2.75Å; R306-E310 WeakPolarHBondContact O-CB 3.2Å; R306-E310 WeakPolarHBondContact O-CG 3.42Å; R306-E310 PolarHBondContact O-N 2.91Å; R307-E310 PolarHBondContact O-N 2.82Å; E310-A312 VanDerWaalsContact C-N 3.32Å; E310-A312 PolarHBondContact O-N 2.9Å; E310-K313 WeakPolarHBondContact O-CB 3.18Å; E310-K313 PolarHBondContact O-N 3.21Å; E310-D314 WeakPolarHBondContact O-CB 3.25Å; E310-D314 PolarHBondContact O-N 2.78Å
311S43.4Very low41.8Very low12 Ų1254.6 Ų54.68%0.08427%0.274CS..Hα-helixtrans-58.7-40.7174-64.20000111.8R307 E315R307-S311 VanDerWaalsContact O-CB 3.27Å; R307-S311 WeakPolarHBondContact O-CB 3.35Å; R307-S311 PolarHBondContact O-N 2.83Å; R307-S311 PolarHBondContact O-OG 3.2Å; S311-E315 WeakPolarHBondContact O-CA 3.32Å; S311-E315 WeakPolarHBondContact O-CB 2.81Å; S311-E315 PolarHBondContact O-N 2.78Å
312A42.4Very low41.8Very low1 Ų153.1 Ų53.11%0.00827%0.265CS..Hα-helixtrans-69.9-36.8177.700000112.1I308 Y309 E310 E315 A316 T530 F531I308-A312 WeakPolarHBondContact O-CB 3.34Å; I308-A312 PolarHBondContact O-N 2.81Å; Y309-A312 PolarHBondContact O-N 3.12Å; E310-A312 VanDerWaalsContact C-N 3.32Å; E310-A312 PolarHBondContact O-N 2.9Å; A312-E315 PolarHBondContact O-N 3.33Å; A312-A316 WeakPolarHBondContact O-CB 3.41Å; A312-A316 PolarHBondContact O-N 2.77Å; A312-T530 HydrophobicContact CB-CG2 4.46Å; A312-F531 HydrophobicContact CB-CZ 4.24Å
313K44.6Very low41.9Very low125 Ų12550.1 Ų50.154%0.54325%0.247SC..Hα-helixtrans-65.6-46.2174.3-176.7-175177.2-170.70110.7Y309 E310 E315 A316 N317Y309-K313 VanDerWaalsContact O-CB 3.26Å; Y309-K313 WeakPolarHBondContact O-CB 3.08Å; Y309-K313 PolarHBondContact O-N 2.79Å; E310-K313 WeakPolarHBondContact O-CB 3.18Å; E310-K313 PolarHBondContact O-N 3.21Å; K313-E315 VanDerWaalsContact C-N 3.35Å; K313-A316 PolarHBondContact O-N 3.4Å; K313-N317 VanDerWaalsContact O-CG 3.24Å; K313-N317 PolarHBondContact O-N 2.78Å; K313-N317 PolarHBondContact O-ND2 3.17Å; K313-N317 PolarHBondContact O-OD1 3.29Å
314D45.9Very low41.7Very low76 Ų7655 Ų5541%0.40627%0.273SS..Hα-helixtrans-69.6-34.7176.3-69.1-16000111.5E310 N317 S318 N507E310-D314 WeakPolarHBondContact O-CB 3.25Å; E310-D314 PolarHBondContact O-N 2.78Å; D314-N317 CarbonylContact O-C 3.46Å; D314-N317 WeakPolarHBondContact O-CB 3.24Å; D314-N317 PolarHBondContact O-N 2.9Å; D314-S318 PolarHBondContact O-N 2.91Å; D314-N507 VanDerWaalsContact CB-ND2 3.26Å; D314-N507 WeakPolarHBondContact CB-ND2 3.42Å
315E43.5Very low42.1Very low0 Ų056.7 Ų56.70%028%0.276CS..Hα-helixtrans-68.6-39.2175.3-178.1176.1-132.300111.3S311 A312 K313 N317 S318 R319 T508 R511S311-E315 WeakPolarHBondContact O-CA 3.32Å; S311-E315 WeakPolarHBondContact O-CB 2.81Å; S311-E315 PolarHBondContact O-N 2.78Å; A312-E315 PolarHBondContact O-N 3.33Å; K313-E315 VanDerWaalsContact C-N 3.35Å; E315-N317 PolarHBondContact O-N 3.21Å; E315-S318 WeakPolarHBondContact CA-OG 3.48Å; E315-S318 CarbonylContact O-C 3.52Å; E315-S318 PolarHBondContact O-N 2.79Å; E315-S318 PolarHBondContact O-OG 3.05Å; E315-S318 VanDerWaalsContact O-OG 3.13Å; E315-R319 VanDerWaalsContact CD-NH2 3.34Å; E315-R319 HydrophobicContact CG-CG 3.9Å; E315-R319 VanDerWaalsContact O-CB 3.28Å; E315-R319 WeakPolarHBondContact O-CB 3.36Å; E315-R319 VanDerWaalsContact O-CG 3.3Å; E315-R319 WeakPolarHBondContact O-CG 3.46Å; E315-R319 PolarHBondContact O-N 2.89Å; E315-R319 IonicContact OE1-CZ 3.02Å; E315-R319 IonicContact OE1-NE 2.69Å; E315-R319 PolarHBondContact OE1-NE 2.87Å; E315-R319 IonicContact OE1-NH1 3.05Å; E315-R319 IonicContact OE1-NH2 3.23Å; E315-R319 PolarHBondContact OE1-NH2 3Å; E315-R319 IonicContact OE2-CZ 3.27Å; E315-R319 IonicContact OE2-NH1 3.19Å; E315-R319 IonicContact OE2-NH2 2.69Å; E315-T508 WeakPolarHBondContact OE1-CA 3.26Å; E315-T508 WeakPolarHBondContact OE1-CB 3.48Å; E315-T508 PolarHBondContact OE1-OG1 2.69Å; E315-R511 VanDerWaalsContact OE2-CD 3.3Å; E315-R511 WeakPolarHBondContact OE2-CD 2.75Å; E315-R511 IonicContact OE2-CZ 3.4Å; E315-R511 IonicContact OE2-NE 3.95Å; E315-R511 IonicContact OE2-NH1 3.82Å; E315-R511 PolarHBondContact OE2-NH1 3.2Å
316A41.8Very low42Very low33 Ų3363.8 Ų63.827%0.27331%0.305SS..Hα-helixtrans-60.1-35.7170.900000111.4A312 K313A312-A316 WeakPolarHBondContact O-CB 3.41Å; A312-A316 PolarHBondContact O-N 2.77Å; K313-A316 PolarHBondContact O-N 3.4Å
317N42Very low41.9Very low65 Ų6560.4 Ų60.435%0.34830%0.298SS..Hα-helixtrans-70.2-43.7173.3-59.7-18.6000111.6K313 D314 E315 P537K313-N317 VanDerWaalsContact O-CG 3.24Å; K313-N317 PolarHBondContact O-N 2.78Å; K313-N317 PolarHBondContact O-ND2 3.17Å; K313-N317 PolarHBondContact O-OD1 3.29Å; D314-N317 CarbonylContact O-C 3.46Å; D314-N317 WeakPolarHBondContact O-CB 3.24Å; D314-N317 PolarHBondContact O-N 2.9Å; E315-N317 PolarHBondContact O-N 3.21Å; N317-P537 WeakPolarHBondContact OD1-CG 3.22Å
318S40.3Very low42.1Very low39 Ų3961.7 Ų61.727%0.27333%0.331SS..Hα-helixtrans-72.4-36.4-179.573.40000112.6D314 E315 K320 C321D314-S318 PolarHBondContact O-N 2.91Å; E315-S318 WeakPolarHBondContact CA-OG 3.48Å; E315-S318 CarbonylContact O-C 3.52Å; E315-S318 PolarHBondContact O-N 2.79Å; E315-S318 PolarHBondContact O-OG 3.05Å; E315-S318 VanDerWaalsContact O-OG 3.13Å; S318-K320 PolarHBondContact O-N 3.02Å; S318-K320 VanDerWaalsContact O-N 3.13Å; S318-C321 PolarHBondContact O-N 2.83Å; S318-C321 PolarHBondContact O-SG 3.05Å
319R38.3Very low42.8Very low12 Ų1265.1 Ų65.15%0.04535%0.349CS..Hα-helixtrans-69.7-12.4-177.1-74.3-173.1175.5173-1.7112.9E315 C321 L322 F323 Y352 T405 E406E315-R319 VanDerWaalsContact CD-NH2 3.34Å; E315-R319 HydrophobicContact CG-CG 3.9Å; E315-R319 VanDerWaalsContact O-CB 3.28Å; E315-R319 WeakPolarHBondContact O-CB 3.36Å; E315-R319 VanDerWaalsContact O-CG 3.3Å; E315-R319 WeakPolarHBondContact O-CG 3.46Å; E315-R319 PolarHBondContact O-N 2.89Å; E315-R319 IonicContact OE1-CZ 3.02Å; E315-R319 IonicContact OE1-NE 2.69Å; E315-R319 PolarHBondContact OE1-NE 2.87Å; E315-R319 IonicContact OE1-NH1 3.05Å; E315-R319 IonicContact OE1-NH2 3.23Å; E315-R319 PolarHBondContact OE1-NH2 3Å; E315-R319 IonicContact OE2-CZ 3.27Å; E315-R319 IonicContact OE2-NH1 3.19Å; E315-R319 IonicContact OE2-NH2 2.69Å; R319-C321 PolarHBondContact O-N 3.31Å; R319-L322 HydrophobicContact CG-CD1 4.14Å; R319-L322 PolarHBondContact O-N 3.18Å; R319-L322 VanDerWaalsContact O-N 3.1Å; R319-F323 WeakPolarHBondContact O-CD2 3.4Å; R319-Y352 PolarHBondContact NH2-OH 3.11Å; R319-Y352 VanDerWaalsContact NH2-OH 3.08Å; R319-T405 WeakPolarHBondContact CD-O 3.38Å; R319-T405 PolarHBondContact NE-O 3.04Å; R319-T405 PolarHBondContact NH1-O 3.26Å; R319-E406 IonicContact NH1-OE2 3.52Å
320K39.3Very low43.4Very low73 Ų7364.4 Ų64.432%0.31735%0.347SS..THydrogen-bonded Turntrans-55.6-28.9164.6-72.9-172.3179.3-179.10112.3S318 P537S318-K320 PolarHBondContact O-N 3.02Å; S318-K320 VanDerWaalsContact O-N 3.13Å; K320-P537 PolarHBondContact NZ-O 2.95Å
321C34.8Very low43.8Very low80 Ų8062.7 Ų62.754%0.54135%0.348SS..THydrogen-bonded Turntrans-84.2-12.5178.170.70000114.6S318 R319 F323 H412S318-C321 PolarHBondContact O-N 2.83Å; S318-C321 PolarHBondContact O-SG 3.05Å; R319-C321 PolarHBondContact O-N 3.31Å; C321-F323 VanDerWaalsContact C-N 3.32Å; C321-H412 PolarHBondContact O-NE2 2.96Å
322L38.7Very low44.6Very low23 Ų2366.3 Ų66.312%0.1236%0.363CS..THydrogen-bonded Turntrans-84.3-9.8177-67178.8000113.2R319R319-L322 HydrophobicContact CG-CD1 4.14Å; R319-L322 PolarHBondContact O-N 3.18Å; R319-L322 VanDerWaalsContact O-N 3.1Å
323F43.5Very low45.3Very low34 Ų3467.2 Ų67.215%0.14937%0.368CS..  trans-130.499.1-175.9-60.5-59.1000109.8R319 C321 W325 I404 I407R319-F323 WeakPolarHBondContact O-CD2 3.4Å; C321-F323 VanDerWaalsContact C-N 3.32Å; F323-W325 HydrophobicContact CB-CD2 3.72Å; F323-W325 HydrophobicContact CB-CE3 3.79Å; F323-W325 HydrophobicContact CB-CG 4.25Å; F323-W325 HydrophobicContact CB-CH2 4.09Å; F323-W325 HydrophobicContact CB-CZ2 4.06Å; F323-W325 HydrophobicContact CB-CZ3 3.94Å; F323-W325 HydrophobicContact CD1-CD2 4.32Å; F323-W325 AromaticContact CD1-CE2 3.67Å; F323-W325 HydrophobicContact CD1-CE3 4.36Å; F323-W325 AromaticContact CD1-CH2 3.08Å; F323-W325 HydrophobicContact CD1-CH2 3.08Å; F323-W325 AromaticContact CD1-CZ2 3.04Å; F323-W325 HydrophobicContact CD1-CZ2 3.04Å; F323-W325 AromaticContact CD1-CZ3 3.78Å; F323-W325 HydrophobicContact CD1-CZ3 3.78Å; F323-W325 HydrophobicContact CD2-CH2 4.29Å; F323-W325 HydrophobicContact CD2-CZ3 4.3Å; F323-W325 AromaticContact CE1-CH2 3.38Å; F323-W325 HydrophobicContact CE1-CH2 3.38Å; F323-W325 AromaticContact CE1-CZ2 3.59Å; F323-W325 HydrophobicContact CE1-CZ2 3.59Å; F323-W325 HydrophobicContact CE1-CZ3 4.29Å; F323-W325 HydrophobicContact CG-CD2 4.29Å; F323-W325 HydrophobicContact CG-CE3 4.13Å; F323-W325 AromaticContact CG-CH2 3.56Å; F323-W325 HydrophobicContact CG-CH2 3.56Å; F323-W325 AromaticContact CG-CZ2 3.78Å; F323-W325 HydrophobicContact CG-CZ2 3.78Å; F323-W325 AromaticContact CG-CZ3 3.74Å; F323-W325 HydrophobicContact CG-CZ3 3.74Å; F323-W325 HydrophobicContact CZ-CH2 4.11Å; F323-W325 PolarHBondContact O-N 3.42Å; F323-I404 VanDerWaalsContact CZ-O 3.29Å; F323-I404 WeakPolarHBondContact CZ-O 3.41Å; F323-I407 HydrophobicContact CZ-CB 4.41Å; F323-I407 WeakPolarHBondContact CZ-O 3.14Å
324N36.5Very low46.1Very low129 Ų12962.6 Ų62.669%0.6935%0.351SS*.  trans-79.864.4175.4-157.315.4000109.9F326N324-F326 WeakPolarHBondContact OD1-CD2 3.33Å; N324-F326 WeakPolarHBondContact OD1-CE2 3.23Å
325W48.2Very low47Very low83 Ų8365.2 Ų65.231%0.31437%0.365SS..  trans-11479.9-174.9-55.7-23.8000110.7F323 T327 L337 I404F323-W325 HydrophobicContact CB-CD2 3.72Å; F323-W325 HydrophobicContact CB-CE3 3.79Å; F323-W325 HydrophobicContact CB-CG 4.25Å; F323-W325 HydrophobicContact CB-CH2 4.09Å; F323-W325 HydrophobicContact CB-CZ2 4.06Å; F323-W325 HydrophobicContact CB-CZ3 3.94Å; F323-W325 HydrophobicContact CD1-CD2 4.32Å; F323-W325 AromaticContact CD1-CE2 3.67Å; F323-W325 HydrophobicContact CD1-CE3 4.36Å; F323-W325 AromaticContact CD1-CH2 3.08Å; F323-W325 HydrophobicContact CD1-CH2 3.08Å; F323-W325 AromaticContact CD1-CZ2 3.04Å; F323-W325 HydrophobicContact CD1-CZ2 3.04Å; F323-W325 AromaticContact CD1-CZ3 3.78Å; F323-W325 HydrophobicContact CD1-CZ3 3.78Å; F323-W325 HydrophobicContact CD2-CH2 4.29Å; F323-W325 HydrophobicContact CD2-CZ3 4.3Å; F323-W325 AromaticContact CE1-CH2 3.38Å; F323-W325 HydrophobicContact CE1-CH2 3.38Å; F323-W325 AromaticContact CE1-CZ2 3.59Å; F323-W325 HydrophobicContact CE1-CZ2 3.59Å; F323-W325 HydrophobicContact CE1-CZ3 4.29Å; F323-W325 HydrophobicContact CG-CD2 4.29Å; F323-W325 HydrophobicContact CG-CE3 4.13Å; F323-W325 AromaticContact CG-CH2 3.56Å; F323-W325 HydrophobicContact CG-CH2 3.56Å; F323-W325 AromaticContact CG-CZ2 3.78Å; F323-W325 HydrophobicContact CG-CZ2 3.78Å; F323-W325 AromaticContact CG-CZ3 3.74Å; F323-W325 HydrophobicContact CG-CZ3 3.74Å; F323-W325 HydrophobicContact CZ-CH2 4.11Å; F323-W325 PolarHBondContact O-N 3.42Å; W325-T327 PolarHBondContact O-N 2.61Å; W325-L337 HydrophobicContact CH2-CD1 3.85Å; W325-L337 HydrophobicContact CH2-CD2 4.39Å; W325-L337 HydrophobicContact CZ2-CD1 3.65Å; W325-L337 HydrophobicContact CZ2-CD2 3.44Å; W325-L337 VanDerWaalsContact CZ2-CD2 3.44Å; W325-L337 HydrophobicContact CZ2-CG 4.15Å; W325-I404 HydrophobicContact CE3-CD1 4.31Å; W325-I404 HydrophobicContact CH2-CD1 3.28Å; W325-I404 HydrophobicContact CH2-CG1 3.43Å; W325-I404 VanDerWaalsContact CH2-CG1 3.43Å; W325-I404 HydrophobicContact CZ2-CD1 4.49Å; W325-I404 HydrophobicContact CZ3-CD1 3.17Å; W325-I404 HydrophobicContact CZ3-CG1 3.56Å
326F37.8Very low48Very low186 Ų18670.3 Ų70.382%0.81639%0.392SS*.  trans-79.40.5175.4-74.9-76.2000113.6N324N324-F326 WeakPolarHBondContact OD1-CD2 3.33Å; N324-F326 WeakPolarHBondContact OD1-CE2 3.23Å
327T41.8Very low49.3Very low49 Ų4968.9 Ų68.930%0.30138%0.38SS..  trans-99.7120.2-172.953.70000111.1W325 D329W325-T327 PolarHBondContact O-N 2.61Å; T327-D329 PolarHBondContact O-N 2.9Å
328G49.7Very low50.8Low90 Ų9069.5 Ų69.593%0.92838%0.383SS*.  trans-76.24.8170.600000114
329D55.5Low52.6Low72 Ų7271.7 Ų71.739%0.38539%0.392SS..  trans-94.2106.5-179.9-175-8.7000110.2T327 A331 Q332 I333T327-D329 PolarHBondContact O-N 2.9Å; D329-A331 VanDerWaalsContact C-N 3.27Å; D329-A331 PolarHBondContact O-N 3.37Å; D329-A331 PolarHBondContact OD1-N 3.48Å; D329-A331 VanDerWaalsContact OD1-N 3.11Å; D329-Q332 HydrophobicContact CB-CB 4.21Å; D329-Q332 HydrophobicContact CB-CG 3.93Å; D329-Q332 WeakPolarHBondContact O-CB 3.2Å; D329-Q332 PolarHBondContact O-N 2.97Å; D329-Q332 WeakPolarHBondContact OD2-CG 3.19Å; D329-Q332 PolarHBondContact OD2-NE2 3.03Å; D329-I333 PolarHBondContact O-N 2.79Å; D329-I333 VanDerWaalsContact O-N 3.12Å
330Y57Low54.7Low80 Ų8072.9 Ų72.931%0.31440%0.398SS..Hα-helixtrans-60-34.6-177.6-176.1-96.5000113.5Q332 I333 S334 V360 K361 P362Y330-Q332 PolarHBondContact O-N 3.03Å; Y330-I333 PolarHBondContact O-N 2.82Å; Y330-S334 PolarHBondContact O-N 3Å; Y330-V360 HydrophobicContact CE2-CB 4.49Å; Y330-V360 HydrophobicContact CE2-CG1 4.09Å; Y330-V360 PolarHBondContact OH-O 3Å; Y330-K361 WeakPolarHBondContact OH-CA 3.29Å; Y330-K361 PolarHBondContact OH-N 3.44Å; Y330-P362 HydrophobicContact CD2-CB 4.36Å; Y330-P362 HydrophobicContact CE2-CB 3.95Å; Y330-P362 HydrophobicContact CE2-CG 4.08Å; Y330-P362 VanDerWaalsContact OH-CD 3.26Å; Y330-P362 WeakPolarHBondContact OH-CD 3.19Å
331A55.8Low56.8Low54 Ų5476.1 Ų76.145%0.44641%0.412SS..Hα-helixtrans-64.3-36.2177.500000110.7D329 N335D329-A331 VanDerWaalsContact C-N 3.27Å; D329-A331 PolarHBondContact O-N 3.37Å; D329-A331 PolarHBondContact OD1-N 3.48Å; D329-A331 VanDerWaalsContact OD1-N 3.11Å; A331-N335 WeakPolarHBondContact O-CB 3.28Å; A331-N335 PolarHBondContact O-N 3.2Å; A331-N335 PolarHBondContact O-ND2 2.79Å
332Q59Low59.1Low89 Ų8972.4 Ų72.442%0.41639%0.387SS..Hα-helixtrans-68.8-41.9174.5-64.1176.425.800111.6D329 Y330 N335 L336D329-Q332 HydrophobicContact CB-CB 4.21Å; D329-Q332 HydrophobicContact CB-CG 3.93Å; D329-Q332 WeakPolarHBondContact O-CB 3.2Å; D329-Q332 PolarHBondContact O-N 2.97Å; D329-Q332 WeakPolarHBondContact OD2-CG 3.19Å; D329-Q332 PolarHBondContact OD2-NE2 3.03Å; Y330-Q332 PolarHBondContact O-N 3.03Å; Q332-N335 PolarHBondContact O-N 3.3Å; Q332-L336 VanDerWaalsContact O-CB 3.32Å; Q332-L336 WeakPolarHBondContact O-CB 3.36Å; Q332-L336 WeakPolarHBondContact O-CD1 3.28Å; Q332-L336 WeakPolarHBondContact O-CG 3.41Å; Q332-L336 PolarHBondContact O-N 3.3Å
333I58.4Low61.4Low20 Ų2071.3 Ų71.310%0.10338%0.381CS..Hα-helixtrans-59.9-48.4176.1-62.2172.3000110.4D329 Y330 N335 L336 L337D329-I333 PolarHBondContact O-N 2.79Å; D329-I333 VanDerWaalsContact O-N 3.12Å; Y330-I333 PolarHBondContact O-N 2.82Å; I333-N335 VanDerWaalsContact C-N 3.33Å; I333-N335 PolarHBondContact O-N 3.34Å; I333-L336 PolarHBondContact O-N 2.85Å; I333-L337 HydrophobicContact CG2-CD1 3.72Å; I333-L337 HydrophobicContact CG2-CG 4.28Å; I333-L337 WeakPolarHBondContact O-CB 3.39Å; I333-L337 VanDerWaalsContact O-CG 3.29Å; I333-L337 WeakPolarHBondContact O-CG 3.42Å; I333-L337 PolarHBondContact O-N 2.85Å
334S60.8Low63.3Low28 Ų2869.7 Ų69.720%0.19637%0.374CS..Hα-helixtrans-60.6-43.3178.6-168.80000111.8Y330 L336 L337 D338Y330-S334 PolarHBondContact O-N 3Å; S334-L336 VanDerWaalsContact C-N 3.35Å; S334-L337 PolarHBondContact O-N 3.05Å; S334-D338 WeakPolarHBondContact O-CB 3.42Å; S334-D338 PolarHBondContact O-N 3.07Å
335N63.8Low65.5Low130 Ų13063.9 Ų63.970%0.69534%0.342SS*.Hα-helixtrans-69.1-31.5179.1-71.2-15.3000113.1A331 Q332 I333A331-N335 WeakPolarHBondContact O-CB 3.28Å; A331-N335 PolarHBondContact O-N 3.2Å; A331-N335 PolarHBondContact O-ND2 2.79Å; Q332-N335 PolarHBondContact O-N 3.3Å; I333-N335 VanDerWaalsContact C-N 3.33Å; I333-N335 PolarHBondContact O-N 3.34Å
336L65.5Low67Low108 Ų10861.7 Ų61.757%0.56533%0.334SS*.Hα-helixtrans-73.2-35.4176.9-77.5164.6000112.2Q332 I333 S334Q332-L336 VanDerWaalsContact O-CB 3.32Å; Q332-L336 WeakPolarHBondContact O-CB 3.36Å; Q332-L336 WeakPolarHBondContact O-CD1 3.28Å; Q332-L336 WeakPolarHBondContact O-CG 3.41Å; Q332-L336 PolarHBondContact O-N 3.3Å; I333-L336 PolarHBondContact O-N 2.85Å; S334-L336 VanDerWaalsContact C-N 3.35Å
337L68Low68.5Low2 Ų255 Ų551%0.0131%0.306CS..Hα-helixtrans-92-18.3-174.4-62.1-175.5000113.5W325 I333 S334 N339 Q340 I357 V360 I404W325-L337 HydrophobicContact CH2-CD1 3.85Å; W325-L337 HydrophobicContact CH2-CD2 4.39Å; W325-L337 HydrophobicContact CZ2-CD1 3.65Å; W325-L337 HydrophobicContact CZ2-CD2 3.44Å; W325-L337 VanDerWaalsContact CZ2-CD2 3.44Å; W325-L337 HydrophobicContact CZ2-CG 4.15Å; I333-L337 HydrophobicContact CG2-CD1 3.72Å; I333-L337 HydrophobicContact CG2-CG 4.28Å; I333-L337 WeakPolarHBondContact O-CB 3.39Å; I333-L337 VanDerWaalsContact O-CG 3.29Å; I333-L337 WeakPolarHBondContact O-CG 3.42Å; I333-L337 PolarHBondContact O-N 2.85Å; S334-L337 PolarHBondContact O-N 3.05Å; L337-N339 PolarHBondContact O-N 2.88Å; L337-Q340 VanDerWaalsContact O-CB 3.3Å; L337-Q340 WeakPolarHBondContact O-CB 3.12Å; L337-Q340 PolarHBondContact O-N 3.07Å; L337-Q340 VanDerWaalsContact O-N 3.07Å; L337-I357 HydrophobicContact CB-CD1 4.13Å; L337-I357 HydrophobicContact CB-CG2 4.27Å; L337-I357 VanDerWaalsContact O-CB 3.31Å; L337-I357 WeakPolarHBondContact O-CB 3.2Å; L337-I357 WeakPolarHBondContact O-CG2 3.33Å; L337-V360 HydrophobicContact CB-CG2 3.94Å; L337-V360 HydrophobicContact CD1-CG2 3.72Å; L337-V360 HydrophobicContact CG-CG2 4.38Å; L337-I404 HydrophobicContact CD1-CD1 4.27Å
338D74Confident69.7Low78 Ų7855.1 Ų55.142%0.41731%0.309SS..THydrogen-bonded Turntrans-58.8130.3-177.9-171.728.8000111.8S334 Q340S334-D338 WeakPolarHBondContact O-CB 3.42Å; S334-D338 PolarHBondContact O-N 3.07Å; D338-Q340 PolarHBondContact O-N 3.02Å
339N79.3Confident70.6Confident86 Ų8652.2 Ų52.246%0.4627%0.272SS..THydrogen-bonded Turntrans58.210.7-175.4-62.8-63.6000116.5L337 K341 I357 Q358L337-N339 PolarHBondContact O-N 2.88Å; N339-K341 PolarHBondContact O-N 2.99Å; N339-I357 WeakPolarHBondContact CA-O 3.22Å; N339-I357 PolarHBondContact N-O 2.95Å; N339-Q358 PolarHBondContact OD1-NE2 3.42Å
340Q80.7Confident71.3Confident37 Ų3748.8 Ų48.817%0.17325%0.254CS..  trans-65.3136.2175-168.5174.43.400110.9L337 D338 S356 I357 D409L337-Q340 VanDerWaalsContact O-CB 3.3Å; L337-Q340 WeakPolarHBondContact O-CB 3.12Å; L337-Q340 PolarHBondContact O-N 3.07Å; L337-Q340 VanDerWaalsContact O-N 3.07Å; D338-Q340 PolarHBondContact O-N 3.02Å; Q340-S356 WeakPolarHBondContact O-CA 3.41Å; Q340-I357 PolarHBondContact O-N 3.33Å; Q340-D409 PolarHBondContact NE2-OD1 3.11Å; Q340-D409 PolarHBondContact NE2-OD2 3.29Å
341K83.8Confident72.3Confident140 Ų14045.9 Ų45.961%0.60924%0.244SC*.EExtended strand (participates in β ladder)trans-77.4129.2176.3-71.8-173179.7-179.40110.5N339 G355 L410N339-K341 PolarHBondContact O-N 2.99Å; K341-G355 WeakPolarHBondContact CA-O 3.38Å; K341-L410 HydrophobicContact CB-CD2 4.27Å; K341-L410 WeakPolarHBondContact O-CB 3.15Å; K341-L410 PolarHBondContact O-N 3.07Å
342V84.1Confident73.7Confident2 Ų243.4 Ų43.41%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-139.1157.5-176.3-62.40000111.8G355 I357 V371 I407 I408V342-G355 PolarHBondContact N-O 2.96Å; V342-G355 PolarHBondContact O-N 2.96Å; V342-I357 HydrophobicContact CG1-CD1 3.73Å; V342-I357 HydrophobicContact CG1-CG1 3.97Å; V342-I357 HydrophobicContact CG2-CD1 4.48Å; V342-I357 HydrophobicContact CG2-CG1 3.91Å; V342-V371 HydrophobicContact CG2-CG1 4.25Å; V342-V371 HydrophobicContact CG2-CG2 4.25Å; V342-I407 HydrophobicContact CB-CG2 3.55Å; V342-I407 HydrophobicContact CG1-CG2 3.62Å; V342-I407 HydrophobicContact CG2-CG2 3.91Å; V342-I408 CarbonylContact C-O 3.49Å; V342-I408 VanDerWaalsContact CA-O 3.3Å; V342-I408 WeakPolarHBondContact CA-O 3.38Å; V342-I408 WeakPolarHBondContact CB-O 3.37Å
343L85.9Confident75Confident0 Ų039.2 Ų39.20%020%0.203CC..EExtended strand (participates in β ladder)trans-95.8117.7161.5-56-179.8000108.3Y352 Y353 L354 I407 I408 L410 L425 Y451 V502L343-Y352 HydrophobicContact CB-CD1 3.83Å; L343-Y353 WeakPolarHBondContact CA-O 3.5Å; L343-L354 HydrophobicContact CD2-CB 4.19Å; L343-L354 HydrophobicContact CD2-CD1 4.11Å; L343-I407 WeakPolarHBondContact O-CA 3.31Å; L343-I408 HydrophobicContact CB-CB 4.24Å; L343-I408 PolarHBondContact N-O 3Å; L343-I408 PolarHBondContact O-N 3.4Å; L343-L410 HydrophobicContact CD1-CD1 4.2Å; L343-L410 HydrophobicContact CD2-CD1 4.28Å; L343-L410 HydrophobicContact CG-CD1 4.05Å; L343-L425 HydrophobicContact CD1-CB 4.42Å; L343-L425 HydrophobicContact CD1-CD1 3.9Å; L343-Y451 HydrophobicContact CD1-CD1 3.83Å; L343-Y451 HydrophobicContact CD1-CE1 3.99Å; L343-Y451 HydrophobicContact CD1-CG 4.13Å; L343-Y451 HydrophobicContact CD2-CD1 4.26Å; L343-Y451 HydrophobicContact CD2-CD2 3.65Å; L343-Y451 HydrophobicContact CD2-CE1 4.09Å; L343-Y451 HydrophobicContact CD2-CE2 3.49Å; L343-Y451 VanDerWaalsContact CD2-CE2 3.49Å; L343-Y451 HydrophobicContact CD2-CG 4.04Å; L343-V502 HydrophobicContact CD1-CB 4.26Å; L343-V502 HydrophobicContact CD1-CG1 4.2Å; L343-V502 HydrophobicContact CD1-CG2 4.11Å
344A84.5Confident76.3Confident0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-110.4133.7179.600000110.8Y352 Y353 V371 F373 F402 I407A344-Y352 CarbonylContact O-C 3.56Å; A344-Y352 WeakPolarHBondContact O-CA 3.3Å; A344-Y353 PolarHBondContact N-O 3.45Å; A344-Y353 PolarHBondContact O-N 2.57Å; A344-V371 HydrophobicContact CB-CB 4.42Å; A344-V371 HydrophobicContact CB-CG1 4.12Å; A344-V371 HydrophobicContact CB-CG2 4.17Å; A344-F373 HydrophobicContact CB-CE1 3.93Å; A344-F373 HydrophobicContact CB-CZ 3.8Å; A344-F402 HydrophobicContact CB-CD2 4.04Å; A344-F402 HydrophobicContact CB-CE2 4.08Å; A344-F402 HydrophobicContact CB-CG 4.31Å; A344-F402 HydrophobicContact CB-CZ 4.4Å; A344-I407 HydrophobicContact CB-CD1 3.46Å; A344-I407 VanDerWaalsContact CB-CD1 3.46Å
345R81.8Confident77.6Confident7 Ų739.7 Ų39.73%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-87.6117.9-179.2-162-174.3-175.9-165.9-0.7112.2G350 H351 Y352 F402 E406 R511 E515R345-G350 PolarHBondContact NE-O 3.2Å; R345-G350 VanDerWaalsContact NE-O 3.08Å; R345-H351 CarbonylContact C-O 3.56Å; R345-H351 WeakPolarHBondContact CA-O 3.34Å; R345-Y352 HydrophobicContact CB-CD1 4.01Å; R345-Y352 HydrophobicContact CB-CD2 4.17Å; R345-Y352 HydrophobicContact CB-CE1 3.7Å; R345-Y352 HydrophobicContact CB-CE2 3.85Å; R345-Y352 HydrophobicContact CB-CG 4.25Å; R345-Y352 HydrophobicContact CG-CD2 3.93Å; R345-Y352 HydrophobicContact CG-CE1 4.43Å; R345-Y352 HydrophobicContact CG-CE2 3.66Å; R345-Y352 HydrophobicContact CG-CG 4.41Å; R345-F402 VanDerWaalsContact O-CD1 3.24Å; R345-F402 WeakPolarHBondContact O-CD1 3.27Å; R345-F402 WeakPolarHBondContact O-CE1 3.13Å; R345-E406 HydrophobicContact CB-CB 4.19Å; R345-E406 WeakPolarHBondContact CD-OE2 3.39Å; R345-E406 PolarHBondContact N-O 2.47Å; R345-E406 VanDerWaalsContact N-O 3.09Å; R345-E406 IonicContact NH1-OE2 2.75Å; R345-R511 PolarHBondContact NH2-O 3.46Å; R345-E515 VanDerWaalsContact CZ-CD 3.49Å; R345-E515 IonicContact CZ-OE1 3.58Å; R345-E515 IonicContact CZ-OE2 3.94Å; R345-E515 IonicContact NH1-OE1 3.83Å; R345-E515 PolarHBondContact NH1-OE1 3.03Å; R345-E515 IonicContact NH1-OE2 3.39Å; R345-E515 PolarHBondContact NH1-OE2 3.32Å; R345-E515 VanDerWaalsContact NH1-OE2 3.1Å; R345-E515 IonicContact NH2-OE1 2.86Å; R345-E515 IonicContact NH2-OE2 3.87Å; R345-E515 PolarHBondContact NH2-OE2 3.49Å
346R80.3Confident78.6Confident37 Ų3734.2 Ų34.214%0.1418%0.177CC..  trans-79.5135.6179.5-67.1-170.173.7-150.23.9112.6S348 G350 H351 Y353 F373 H398 E400 F402R346-S348 VanDerWaalsContact C-N 3.27Å; R346-S348 PolarHBondContact O-N 3.26Å; R346-G350 WeakPolarHBondContact O-CA 3.48Å; R346-G350 PolarHBondContact O-N 3.49Å; R346-H351 PolarHBondContact N-O 3.46Å; R346-Y353 HydrophobicContact CB-CD2 4.16Å; R346-Y353 HydrophobicContact CB-CE2 4.11Å; R346-Y353 HydrophobicContact CG-CD2 3.61Å; R346-Y353 HydrophobicContact CG-CE2 3.96Å; R346-Y353 HydrophobicContact CG-CG 4.48Å; R346-F373 HydrophobicContact CG-CZ 4.28Å; R346-H398 PolarHBondContact NH2-NE2 2.79Å; R346-E400 IonicContact CZ-OE2 3.82Å; R346-E400 IonicContact NE-OE2 2.62Å; R346-E400 PolarHBondContact NE-OE2 2.88Å; R346-E400 IonicContact NH2-OE2 3.03Å; R346-E400 PolarHBondContact NH2-OE2 3.21Å; R346-F402 HydrophobicContact CG-CE1 4.21Å; R346-F402 HydrophobicContact CG-CZ 4.01Å
347L67.9Low79.4Confident46 Ų4629.2 Ų29.224%0.24115%0.151CC..THydrogen-bonded Turntrans-72.1-26.7175.8-66.8175.2000112D349 R523 K527L347-D349 VanDerWaalsContact C-N 3.31Å; L347-D349 PolarHBondContact O-N 2.95Å; L347-R523 PolarHBondContact O-NE 2.89Å; L347-R523 PolarHBondContact O-NH2 3.16Å; L347-K527 HydrophobicContact CD2-CD 4.08Å
348S67.7Low80.2Confident51 Ų5131.5 Ų31.536%0.35716%0.161SC..THydrogen-bonded Turntrans-62.4-35.4-178.2560000112.8R346 P520 R523R346-S348 VanDerWaalsContact C-N 3.27Å; R346-S348 PolarHBondContact O-N 3.26Å; S348-P520 WeakPolarHBondContact O-CG 3.32Å; S348-R523 VanDerWaalsContact C-NH2 3.31Å; S348-R523 PolarHBondContact O-NH2 2.78Å
349D68.4Low80.5Confident29 Ų2930.3 Ų30.316%0.15516%0.157CC..THydrogen-bonded Turntrans-136.8-8.1-175.260.811.8000113.9L347 H351 Y353 R450 R523L347-D349 VanDerWaalsContact C-N 3.31Å; L347-D349 PolarHBondContact O-N 2.95Å; D349-H351 PolarHBondContact O-CD2 2.87Å; D349-H351 PolarHBondContact O-N 2.74Å; D349-H351 PolarHBondContact OD1-N 3.43Å; D349-Y353 WeakPolarHBondContact OD2-CE2 3.28Å; D349-Y353 VanDerWaalsContact OD2-CZ 3.31Å; D349-Y353 PolarHBondContact OD2-OH 3.08Å; D349-R450 IonicContact OD2-NH2 3.92Å; D349-R450 PolarHBondContact OD2-NH2 2.84Å; D349-R523 VanDerWaalsContact CA-NH2 3.26Å; D349-R523 PolarHBondContact O-NH1 3.09Å
350G70.7Confident80.2Confident0 Ų026.4 Ų26.40%014%0.136CC..SBendtrans78.73.9178.800000114.3R345 R346R345-G350 PolarHBondContact NE-O 3.2Å; R345-G350 VanDerWaalsContact NE-O 3.08Å; R346-G350 WeakPolarHBondContact O-CA 3.48Å; R346-G350 PolarHBondContact O-N 3.49Å
351H78.1Confident79.6Confident20 Ų2029.9 Ų29.99%0.09315%0.151CC..  trans-92.2157.3-179.6-68.2-76.1000112.6R345 R346 D349 Y353 R450 Q516R345-H351 CarbonylContact C-O 3.56Å; R345-H351 WeakPolarHBondContact CA-O 3.34Å; R346-H351 PolarHBondContact N-O 3.46Å; D349-H351 PolarHBondContact O-CD2 2.87Å; D349-H351 PolarHBondContact O-N 2.74Å; D349-H351 PolarHBondContact OD1-N 3.43Å; H351-Y353 HydrophobicContact CB-CD2 4.45Å; H351-Y353 HydrophobicContact CB-CE2 3.8Å; H351-Y353 WeakPolarHBondContact O-CD2 3.32Å; H351-R450 HydrophobicContact CB-CG 3.78Å; H351-Q516 PolarHBondContact CE1-NE2 3.39Å; H351-Q516 PolarHBondContact ND1-NE2 3.37Å
352Y84Confident78.5Confident1 Ų126.9 Ų26.90%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-88.5141.3172.3-81.6-93.7000110.7R319 L343 A344 R345 I408 L425 R450 Y451 I512R319-Y352 PolarHBondContact NH2-OH 3.11Å; R319-Y352 VanDerWaalsContact NH2-OH 3.08Å; L343-Y352 HydrophobicContact CB-CD1 3.83Å; A344-Y352 CarbonylContact O-C 3.56Å; A344-Y352 WeakPolarHBondContact O-CA 3.3Å; R345-Y352 HydrophobicContact CB-CD1 4.01Å; R345-Y352 HydrophobicContact CB-CD2 4.17Å; R345-Y352 HydrophobicContact CB-CE1 3.7Å; R345-Y352 HydrophobicContact CB-CE2 3.85Å; R345-Y352 HydrophobicContact CB-CG 4.25Å; R345-Y352 HydrophobicContact CG-CD2 3.93Å; R345-Y352 HydrophobicContact CG-CE1 4.43Å; R345-Y352 HydrophobicContact CG-CE2 3.66Å; R345-Y352 HydrophobicContact CG-CG 4.41Å; Y352-I408 HydrophobicContact CD1-CD1 4.07Å; Y352-I408 HydrophobicContact CE1-CD1 3.56Å; Y352-I408 HydrophobicContact CE1-CG1 3.88Å; Y352-L425 HydrophobicContact CD1-CD1 4.17Å; Y352-L425 HydrophobicContact CD2-CD1 3.89Å; Y352-L425 HydrophobicContact CD2-CD2 4.23Å; Y352-L425 HydrophobicContact CE2-CD1 4.43Å; Y352-L425 HydrophobicContact CG-CD1 3.73Å; Y352-R450 CarbonylContact O-C 3.5Å; Y352-R450 WeakPolarHBondContact O-CA 3.43Å; Y352-Y451 PolarHBondContact O-N 2.92Å; Y352-I512 HydrophobicContact CD2-CD1 3.85Å; Y352-I512 HydrophobicContact CD2-CG1 4.21Å; Y352-I512 HydrophobicContact CE2-CD1 3.54Å; Y352-I512 HydrophobicContact CE2-CG1 3.75Å
353Y86.4Confident77.1Confident2 Ų231.2 Ų31.21%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-131.4143178.7-71.1-94.4000110.9L343 A344 R346 D349 H351 G355 F446 L449 R450L343-Y353 WeakPolarHBondContact CA-O 3.5Å; A344-Y353 PolarHBondContact N-O 3.45Å; A344-Y353 PolarHBondContact O-N 2.57Å; R346-Y353 HydrophobicContact CB-CD2 4.16Å; R346-Y353 HydrophobicContact CB-CE2 4.11Å; R346-Y353 HydrophobicContact CG-CD2 3.61Å; R346-Y353 HydrophobicContact CG-CE2 3.96Å; R346-Y353 HydrophobicContact CG-CG 4.48Å; D349-Y353 WeakPolarHBondContact OD2-CE2 3.28Å; D349-Y353 VanDerWaalsContact OD2-CZ 3.31Å; D349-Y353 PolarHBondContact OD2-OH 3.08Å; H351-Y353 HydrophobicContact CB-CD2 4.45Å; H351-Y353 HydrophobicContact CB-CE2 3.8Å; H351-Y353 WeakPolarHBondContact O-CD2 3.32Å; Y353-G355 PolarHBondContact O-N 3.1Å; Y353-F446 HydrophobicContact CD1-CD1 4.03Å; Y353-F446 AromaticContact CD1-CE1 3.45Å; Y353-F446 HydrophobicContact CD1-CE1 3.45Å; Y353-F446 VanDerWaalsContact CD1-CE1 3.45Å; Y353-F446 AromaticContact CD1-CZ 3.82Å; Y353-F446 HydrophobicContact CD1-CZ 3.82Å; Y353-F446 HydrophobicContact CD2-CE1 4.33Å; Y353-F446 AromaticContact CE1-CD1 3.49Å; Y353-F446 HydrophobicContact CE1-CD1 3.49Å; Y353-F446 VanDerWaalsContact CE1-CD1 3.49Å; Y353-F446 AromaticContact CE1-CE1 3.17Å; Y353-F446 HydrophobicContact CE1-CE1 3.17Å; Y353-F446 HydrophobicContact CE1-CG 4.48Å; Y353-F446 HydrophobicContact CE1-CZ 4.02Å; Y353-F446 HydrophobicContact CE2-CE1 4.08Å; Y353-F446 HydrophobicContact CG-CE1 4.02Å; Y353-F446 HydrophobicContact CG-CZ 4.13Å; Y353-F446 AromaticContact CZ-CE1 3.49Å; Y353-F446 VanDerWaalsContact CZ-CE1 3.49Å; Y353-L449 WeakPolarHBondContact CA-O 3.35Å; Y353-L449 HydrophobicContact CD1-CB 4.14Å; Y353-R450 HydrophobicContact CD1-CB 4.06Å; Y353-R450 HydrophobicContact CE1-CB 3.62Å; Y353-R450 HydrophobicContact CE1-CG 4Å; Y353-R450 HydrophobicContact CE2-CG 4.42Å; Y353-R450 VanDerWaalsContact OH-CZ 3.31Å; Y353-R450 PolarHBondContact OH-NE 3.43Å; Y353-R450 PolarHBondContact OH-NH2 3.15Å
354L86.5Confident75.1Confident50 Ų5038.3 Ų38.326%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-71.1123.3172.3-178.964.5000110.9L343 F373 L410 L449 Y451L343-L354 HydrophobicContact CD2-CB 4.19Å; L343-L354 HydrophobicContact CD2-CD1 4.11Å; L354-F373 WeakPolarHBondContact O-CD1 3.3Å; L354-L410 HydrophobicContact CD1-CD2 3.6Å; L354-L449 PolarHBondContact N-O 3.08Å; L354-Y451 HydrophobicContact CB-CE2 4.05Å
355G87.6Confident73.4Confident7 Ų741.7 Ų41.77%0.07223%0.225CC..EExtended strand (participates in β ladder)trans-144.2-178.817500000113K341 V342 Y353 R372K341-G355 WeakPolarHBondContact CA-O 3.38Å; V342-G355 PolarHBondContact N-O 2.96Å; V342-G355 PolarHBondContact O-N 2.96Å; Y353-G355 PolarHBondContact O-N 3.1Å; G355-R372 CarbonylContact C-O 3.45Å; G355-R372 WeakPolarHBondContact CA-O 3.28Å
356S86Confident72.2Confident15 Ų1543 Ų4311%0.10523%0.233CC..EExtended strand (participates in β ladder)trans-122.8132.5171.960.40000110.3Q340 Q358 R372Q340-S356 WeakPolarHBondContact O-CA 3.41Å; S356-Q358 PolarHBondContact OG-NE2 3.35Å; S356-R372 PolarHBondContact N-O 3Å; S356-R372 PolarHBondContact O-N 3.41Å; S356-R372 PolarHBondContact OG-NE 2.88Å; S356-R372 PolarHBondContact OG-NH2 3.13Å
357I82.2Confident71.3Confident4 Ų443.8 Ų43.82%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-63.8139.3171.5-63.3174.1000108.4L337 N339 Q340 V342 V369 V371L337-I357 HydrophobicContact CB-CD1 4.13Å; L337-I357 HydrophobicContact CB-CG2 4.27Å; L337-I357 VanDerWaalsContact O-CB 3.31Å; L337-I357 WeakPolarHBondContact O-CB 3.2Å; L337-I357 WeakPolarHBondContact O-CG2 3.33Å; N339-I357 WeakPolarHBondContact CA-O 3.22Å; N339-I357 PolarHBondContact N-O 2.95Å; Q340-I357 PolarHBondContact O-N 3.33Å; V342-I357 HydrophobicContact CG1-CD1 3.73Å; V342-I357 HydrophobicContact CG1-CG1 3.97Å; V342-I357 HydrophobicContact CG2-CD1 4.48Å; V342-I357 HydrophobicContact CG2-CG1 3.91Å; I357-V369 HydrophobicContact CD1-CG1 4.37Å; I357-V369 HydrophobicContact CG1-CB 4.48Å; I357-V369 HydrophobicContact CG2-CB 4.42Å; I357-V371 HydrophobicContact CG1-CG2 4.38Å
358Q84.3Confident71.6Confident49 Ų4943.7 Ų43.723%0.22924%0.238CC..EExtended strand (participates in β ladder)trans-115.8-32.2176.9-62.3-62.9-88.600112.1N339 S356 F370 R372 Y399N339-Q358 PolarHBondContact OD1-NE2 3.42Å; S356-Q358 PolarHBondContact OG-NE2 3.35Å; Q358-F370 HydrophobicContact CB-CD1 4.17Å; Q358-F370 PolarHBondContact N-O 3.32Å; Q358-R372 HydrophobicContact CG-CB 3.66Å; Q358-Y399 HydrophobicContact CG-CE1 4.2Å
359T80.2Confident72Confident54 Ų5441.2 Ų41.233%0.33122%0.221SC..EExtended strand (participates in β ladder)trans-158.4152.8173.3-173.70000108.5F370 W401T359-F370 HydrophobicContact CG2-CB 3.56Å; T359-F370 HydrophobicContact CG2-CD1 4.25Å; T359-F370 HydrophobicContact CG2-CG 4.29Å; T359-F370 PolarHBondContact O-N 3.49Å; T359-W401 HydrophobicContact CG2-CH2 3.65Å; T359-W401 HydrophobicContact CG2-CZ2 4.2Å; T359-W401 HydrophobicContact CG2-CZ3 4.41Å
360V72.9Confident72.7Confident4 Ų442.4 Ų42.42%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-97.8155.4165-169.50000106.5Y330 L337 D367 Q368 V369Y330-V360 HydrophobicContact CE2-CB 4.49Å; Y330-V360 HydrophobicContact CE2-CG1 4.09Å; Y330-V360 PolarHBondContact OH-O 3Å; L337-V360 HydrophobicContact CB-CG2 3.94Å; L337-V360 HydrophobicContact CD1-CG2 3.72Å; L337-V360 HydrophobicContact CG-CG2 4.38Å; V360-D367 HydrophobicContact CG1-CB 4.5Å; V360-Q368 CarbonylContact C-O 3.59Å; V360-Q368 WeakPolarHBondContact CA-O 3.45Å; V360-V369 HydrophobicContact CG1-CG1 4.3Å; V360-V369 HydrophobicContact CG2-CG1 4.25Å
361K67.9Low73.3Confident109 Ų10942.4 Ų42.447%0.47423%0.225SC..EExtended strand (participates in β ladder)trans-134.8129.4168.2-177.6180178.8-178.40108.2Y330 H363 Q368 W401Y330-K361 WeakPolarHBondContact OH-CA 3.29Å; Y330-K361 PolarHBondContact OH-N 3.44Å; K361-H363 PolarHBondContact O-N 3.06Å; K361-Q368 PolarHBondContact N-O 3.38Å; K361-Q368 PolarHBondContact O-N 2.95Å; K361-W401 HydrophobicContact CB-CH2 3.58Å; K361-W401 HydrophobicContact CB-CZ3 3.52Å; K361-W401 HydrophobicContact CD-CH2 4.3Å
362P60.1Low73.6Confident77 Ų7744.6 Ų44.650%0.523%0.233SC..  trans-70.1126.1174.730-25.7000107.8Y330 D367Y330-P362 HydrophobicContact CD2-CB 4.36Å; Y330-P362 HydrophobicContact CE2-CB 3.95Å; Y330-P362 HydrophobicContact CE2-CG 4.08Å; Y330-P362 VanDerWaalsContact OH-CD 3.26Å; Y330-P362 WeakPolarHBondContact OH-CD 3.19Å; P362-D367 VanDerWaalsContact CA-OD1 3.31Å; P362-D367 WeakPolarHBondContact CA-OD1 3.4Å
363H55.7Low73.4Confident94 Ų9444.5 Ų44.544%0.43523%0.232SC..  trans-141.4142.9176.8-161.426000109.6K361 P365 V366 D367 Q368K361-H363 PolarHBondContact O-N 3.06Å; H363-P365 CarbonylContact O-C 3.53Å; H363-V366 CarbonylContact O-C 3.57Å; H363-V366 PolarHBondContact O-N 3.21Å; H363-V366 VanDerWaalsContact O-N 3.09Å; H363-D367 PolarHBondContact N-OD1 3.1Å; H363-D367 PolarHBondContact O-N 2.62Å; H363-Q368 HydrophobicContact CB-CG 4.13Å
364L44.4Very low72.7Confident148 Ų14845.7 Ų45.778%0.77525%0.245SC*.SBendtrans-91.6133.6171.5-78.5160.1000108.1
365P47.2Very low71.6Confident72 Ų7245.8 Ų45.847%0.46825%0.248SC..SBendcis-88.7-12.49.133.6-35.3000115.7H363 P533H363-P365 CarbonylContact O-C 3.53Å; P365-P533 HydrophobicContact CB-CB 3.73Å; P365-P533 HydrophobicContact CB-CG 3.88Å; P365-P533 HydrophobicContact CG-CG 4.18Å
366V56.8Low70.2Confident34 Ų3446.3 Ų46.321%0.20625%0.25CC..SBendtrans-137.7136.9-173.5-178.70000108.9H363 D403 I404 T405H363-V366 CarbonylContact O-C 3.57Å; H363-V366 PolarHBondContact O-N 3.21Å; H363-V366 VanDerWaalsContact O-N 3.09Å; V366-D403 HydrophobicContact CG1-CB 4.22Å; V366-I404 HydrophobicContact CG1-CG2 3.66Å; V366-T405 HydrophobicContact CG1-CG2 4.1Å
367D62.2Low68.6Low53 Ų5348.3 Ų48.328%0.28326%0.257SS..  trans-56145.2175.5-67.2-25.1000111.4V360 P362 H363 I404V360-D367 HydrophobicContact CG1-CB 4.5Å; P362-D367 VanDerWaalsContact CA-OD1 3.31Å; P362-D367 WeakPolarHBondContact CA-OD1 3.4Å; H363-D367 PolarHBondContact N-OD1 3.1Å; H363-D367 PolarHBondContact O-N 2.62Å; D367-I404 HydrophobicContact CB-CD1 4.27Å; D367-I404 WeakPolarHBondContact O-CB 3.4Å; D367-I404 PolarHBondContact O-N 3.27Å
368Q74.9Confident66.8Low44 Ų4453.5 Ų53.521%0.20629%0.285CS..EExtended strand (participates in β ladder)trans-111.4144.5179-67-170.4-30.700110.7V360 K361 H363 W401 F402 D403V360-Q368 CarbonylContact C-O 3.59Å; V360-Q368 WeakPolarHBondContact CA-O 3.45Å; K361-Q368 PolarHBondContact N-O 3.38Å; K361-Q368 PolarHBondContact O-N 2.95Å; H363-Q368 HydrophobicContact CB-CG 4.13Å; Q368-W401 HydrophobicContact CB-CE3 3.79Å; Q368-W401 HydrophobicContact CB-CZ3 4.21Å; Q368-F402 CarbonylContact C-O 3.3Å; Q368-F402 WeakPolarHBondContact CA-O 3.3Å; Q368-F402 WeakPolarHBondContact CB-O 3.48Å; Q368-D403 PolarHBondContact NE2-OD1 2.91Å; Q368-D403 VanDerWaalsContact NE2-OD1 3.17Å
369V75.3Confident64.7Low0 Ų054.2 Ų54.20%029%0.29CS..EExtended strand (participates in β ladder)trans-115.1139.6173-60.10000110I357 V360 V371 W401 F402 I404 I407I357-V369 HydrophobicContact CD1-CG1 4.37Å; I357-V369 HydrophobicContact CG1-CB 4.48Å; I357-V369 HydrophobicContact CG2-CB 4.42Å; V360-V369 HydrophobicContact CG1-CG1 4.3Å; V360-V369 HydrophobicContact CG2-CG1 4.25Å; V369-V371 HydrophobicContact CG2-CG2 3.82Å; V369-W401 VanDerWaalsContact C-CE3 3.43Å; V369-W401 WeakPolarHBondContact O-CA 3.36Å; V369-F402 HydrophobicContact CG2-CB 4.14Å; V369-F402 PolarHBondContact N-O 2.75Å; V369-F402 PolarHBondContact O-N 2.94Å; V369-I404 HydrophobicContact CG1-CD1 3.95Å; V369-I404 HydrophobicContact CG1-CG1 4.05Å; V369-I407 HydrophobicContact CG2-CD1 3.54Å; V369-I407 HydrophobicContact CG2-CG1 3.45Å; V369-I407 VanDerWaalsContact CG2-CG1 3.45Å
370F84Confident62.8Low53 Ų5354.7 Ų54.723%0.23229%0.293CS..EExtended strand (participates in β ladder)trans-94.3115172.7-165.9-129.4000108.5Q358 T359 Y399 W401Q358-F370 HydrophobicContact CB-CD1 4.17Å; Q358-F370 PolarHBondContact N-O 3.32Å; T359-F370 HydrophobicContact CG2-CB 3.56Å; T359-F370 HydrophobicContact CG2-CD1 4.25Å; T359-F370 HydrophobicContact CG2-CG 4.29Å; T359-F370 PolarHBondContact O-N 3.49Å; F370-Y399 HydrophobicContact CD1-CD1 4.25Å; F370-Y399 AromaticContact CE1-CD1 3.58Å; F370-Y399 HydrophobicContact CE1-CD1 3.58Å; F370-Y399 HydrophobicContact CE1-CE1 4.41Å; F370-Y399 HydrophobicContact CE1-CG 4.05Å; F370-Y399 AromaticContact CZ-CD1 3.9Å; F370-Y399 HydrophobicContact CZ-CD1 3.9Å; F370-Y399 AromaticContact CZ-CG 3.89Å; F370-Y399 HydrophobicContact CZ-CG 3.89Å; F370-W401 HydrophobicContact CB-CD2 3.95Å; F370-W401 HydrophobicContact CB-CE3 3.83Å; F370-W401 HydrophobicContact CB-CH2 3.7Å; F370-W401 HydrophobicContact CB-CZ2 3.79Å; F370-W401 HydrophobicContact CB-CZ3 3.72Å; F370-W401 AromaticContact CD2-CD1 3.55Å; F370-W401 AromaticContact CD2-CD2 3.67Å; F370-W401 HydrophobicContact CD2-CD2 3.67Å; F370-W401 AromaticContact CD2-CE2 3.43Å; F370-W401 VanDerWaalsContact CD2-CE2 3.43Å; F370-W401 HydrophobicContact CD2-CE3 4.4Å; F370-W401 AromaticContact CD2-CG 3.77Å; F370-W401 HydrophobicContact CD2-CG 3.77Å; F370-W401 HydrophobicContact CD2-CZ2 4.01Å; F370-W401 AromaticContact CD2-NE1 3.32Å; F370-W401 VanDerWaalsContact CD2-NE1 3.32Å; F370-W401 AromaticContact CE2-CD1 3.77Å; F370-W401 HydrophobicContact CE2-CG 4.4Å; F370-W401 AromaticContact CE2-NE1 3.56Å; F370-W401 HydrophobicContact CG-CD2 4.2Å; F370-W401 AromaticContact CG-CE2 3.86Å; F370-W401 HydrophobicContact CG-CH2 4.39Å; F370-W401 AromaticContact CG-CZ2 3.97Å; F370-W401 HydrophobicContact CG-CZ2 3.97Å
371V82.5Confident61.1Low0 Ų057.2 Ų57.20%031%0.31CS..EExtended strand (participates in β ladder)trans-109.6131.9-175-1800000109.6V342 A344 I357 V369 F373 Y399 E400 F402 I407V342-V371 HydrophobicContact CG2-CG1 4.25Å; V342-V371 HydrophobicContact CG2-CG2 4.25Å; A344-V371 HydrophobicContact CB-CB 4.42Å; A344-V371 HydrophobicContact CB-CG1 4.12Å; A344-V371 HydrophobicContact CB-CG2 4.17Å; I357-V371 HydrophobicContact CG1-CG2 4.38Å; V369-V371 HydrophobicContact CG2-CG2 3.82Å; V371-F373 HydrophobicContact CB-CE2 4.39Å; V371-F373 HydrophobicContact CB-CZ 4.24Å; V371-F373 HydrophobicContact CG1-CD1 4.31Å; V371-F373 HydrophobicContact CG1-CE1 3.85Å; V371-F373 HydrophobicContact CG1-CE2 4.21Å; V371-F373 HydrophobicContact CG1-CZ 3.81Å; V371-Y399 WeakPolarHBondContact O-CA 2.94Å; V371-E400 PolarHBondContact N-O 3.3Å; V371-E400 PolarHBondContact O-N 3.02Å; V371-E400 VanDerWaalsContact O-N 3.14Å; V371-F402 HydrophobicContact CB-CD2 3.82Å; V371-F402 HydrophobicContact CB-CE2 3.85Å; V371-F402 HydrophobicContact CG2-CD2 3.68Å; V371-F402 HydrophobicContact CG2-CE2 4.22Å; V371-I407 HydrophobicContact CG2-CD1 3.89Å
372R84.5Confident59.6Low66 Ų6658.4 Ų58.425%0.24932%0.316CS..EExtended strand (participates in β ladder)trans-95.4126.6170.8-178.2-179.367-172.1-6.7110G355 S356 Q358 F397 H398 Y399G355-R372 CarbonylContact C-O 3.45Å; G355-R372 WeakPolarHBondContact CA-O 3.28Å; S356-R372 PolarHBondContact N-O 3Å; S356-R372 PolarHBondContact O-N 3.41Å; S356-R372 PolarHBondContact OG-NE 2.88Å; S356-R372 PolarHBondContact OG-NH2 3.13Å; Q358-R372 HydrophobicContact CG-CB 3.66Å; R372-F397 VanDerWaalsContact CD-CD1 3.5Å; R372-F397 HydrophobicContact CG-CB 3.93Å; R372-F397 HydrophobicContact CG-CD1 3.61Å; R372-F397 HydrophobicContact CG-CE1 4.45Å; R372-F397 HydrophobicContact CG-CG 4.03Å; R372-H398 CarbonylContact C-O 3.55Å; R372-Y399 HydrophobicContact CB-CD1 3.67Å; R372-Y399 HydrophobicContact CB-CE1 3.45Å; R372-Y399 VanDerWaalsContact CB-CE1 3.45Å; R372-Y399 VanDerWaalsContact CD-OH 3.23Å; R372-Y399 WeakPolarHBondContact CD-OH 3.37Å; R372-Y399 HydrophobicContact CG-CD1 3.93Å; R372-Y399 HydrophobicContact CG-CE1 3.36Å; R372-Y399 HydrophobicContact CG-CE2 4.38Å
373F79.7Confident58.5Low0 Ų058.2 Ų58.20%031%0.311CS..EExtended strand (participates in β ladder)trans-109.3136172.3-54.3-80.7000110A344 R346 L354 V371 F397 H398 E400 F402 F446 L449A344-F373 HydrophobicContact CB-CE1 3.93Å; A344-F373 HydrophobicContact CB-CZ 3.8Å; R346-F373 HydrophobicContact CG-CZ 4.28Å; L354-F373 WeakPolarHBondContact O-CD1 3.3Å; V371-F373 HydrophobicContact CB-CE2 4.39Å; V371-F373 HydrophobicContact CB-CZ 4.24Å; V371-F373 HydrophobicContact CG1-CD1 4.31Å; V371-F373 HydrophobicContact CG1-CE1 3.85Å; V371-F373 HydrophobicContact CG1-CE2 4.21Å; V371-F373 HydrophobicContact CG1-CZ 3.81Å; F373-F397 WeakPolarHBondContact O-CA 3.28Å; F373-H398 HydrophobicContact CB-CB 4.29Å; F373-H398 HydrophobicContact CD2-CB 4.46Å; F373-H398 AromaticContact CD2-CD2 3.84Å; F373-H398 WeakPolarHBondContact CD2-O 3.43Å; F373-H398 PolarHBondContact N-O 2.82Å; F373-H398 PolarHBondContact O-N 3.38Å; F373-E400 HydrophobicContact CE2-CB 4.2Å; F373-F402 AromaticContact CE2-CE2 3.55Å; F373-F402 HydrophobicContact CE2-CE2 3.55Å; F373-F402 AromaticContact CE2-CZ 3.69Å; F373-F402 HydrophobicContact CE2-CZ 3.69Å; F373-F402 AromaticContact CZ-CE2 3.45Å; F373-F402 HydrophobicContact CZ-CE2 3.45Å; F373-F402 VanDerWaalsContact CZ-CE2 3.45Å; F373-F402 AromaticContact CZ-CZ 3.53Å; F373-F402 HydrophobicContact CZ-CZ 3.53Å; F373-F446 HydrophobicContact CB-CD2 4.44Å; F373-F446 HydrophobicContact CB-CE2 3.51Å; F373-F446 HydrophobicContact CB-CZ 4.23Å; F373-F446 HydrophobicContact CD2-CE2 4.33Å; F373-F446 HydrophobicContact CD2-CZ 4.37Å; F373-F446 AromaticContact CG-CE2 3.92Å; F373-F446 HydrophobicContact CG-CE2 3.92Å; F373-F446 HydrophobicContact CG-CZ 4.14Å; F373-L449 HydrophobicContact CB-CD1 4.44Å
374G72Confident57.8Low26 Ų2659 Ų5927%0.26832%0.318SS..EExtended strand (participates in β ladder)trans130.3-175.8-178.900000112.8
375P63.4Low57.7Low52 Ų5263.1 Ų63.134%0.33832%0.323SS..EExtended strand (participates in β ladder)cis-69.7136.513.128.5-36.5000114D395 F397 S444P375-D395 HydrophobicContact CB-CB 3.56Å; P375-D395 WeakPolarHBondContact CB-OD1 3.39Å; P375-F397 HydrophobicContact CB-CE1 4.12Å; P375-F397 HydrophobicContact CB-CZ 4.18Å; P375-S444 PolarHBondContact O-OG 2.71Å
376I58.8Low57.2Low19 Ų1967.3 Ų67.310%0.09733%0.334CS..EExtended strand (participates in β ladder)trans-102.9122.8171.9-48.8160.2000105.6T396 H398 F446I376-T396 WeakPolarHBondContact CA-O 3.23Å; I376-T396 VanDerWaalsContact CB-O 3.28Å; I376-T396 WeakPolarHBondContact CB-O 3.25Å; I376-T396 PolarHBondContact N-O 3.48Å; I376-T396 PolarHBondContact O-N 3.44Å; I376-T396 PolarHBondContact O-OG1 3.49Å; I376-H398 HydrophobicContact CD1-CB 3.75Å; I376-F446 HydrophobicContact CD1-CB 4.49Å; I376-F446 HydrophobicContact CD1-CD2 3.46Å; I376-F446 VanDerWaalsContact CD1-CD2 3.46Å; I376-F446 HydrophobicContact CD1-CE2 4.12Å; I376-F446 HydrophobicContact CD1-CG 4.42Å; I376-F446 HydrophobicContact CG1-CD2 3.98Å; I376-F446 HydrophobicContact CG2-CB 4.47Å
377H51.5Low56.1Low57 Ų5770.4 Ų70.426%0.26436%0.357SS..  trans-93.3106.5177.4-77.4-48.2000109.2L379 D395 P443 S444H377-L379 PolarHBondContact O-N 2.81Å; H377-L379 VanDerWaalsContact O-N 3.11Å; H377-D395 IonicContact CE1-OD1 3.46Å; H377-D395 PolarHBondContact CE1-OD1 3.33Å; H377-D395 IonicContact ND1-OD1 3.49Å; H377-D395 IonicContact NE2-OD1 2.72Å; H377-P443 HydrophobicContact CB-CB 3.49Å; H377-P443 VanDerWaalsContact CB-CB 3.49Å; H377-S444 PolarHBondContact N-O 3.18Å
378N45.2Very low55.3Low112 Ų11280.1 Ų80.160%0.59939%0.39SS*.  trans-7986.9169.5-73.3-10.8000108.9T380 T396N378-T380 PolarHBondContact O-N 3.37Å; N378-T396 PolarHBondContact ND2-OG1 3.36Å
379L40.4Very low53.5Low64 Ų6481.4 Ų81.434%0.33541%0.408SS..  trans-72.7116.7167.4-76.8-178.4000109H377 D383 L384 P443H377-L379 PolarHBondContact O-N 2.81Å; H377-L379 VanDerWaalsContact O-N 3.11Å; L379-D383 HydrophobicContact CD2-CB 4.05Å; L379-L384 HydrophobicContact CD1-CD2 3.87Å; L379-L384 HydrophobicContact CD1-CG 4.18Å; L379-P443 HydrophobicContact CD1-CG 3.28Å; L379-P443 HydrophobicContact CG-CG 3.79Å
380T39.3Very low51.8Low65 Ų6588.1 Ų88.140%0.39945%0.449SS..  trans-77.9152.3160.268.90000109N378 F382 D383N378-T380 PolarHBondContact O-N 3.37Å; T380-F382 PolarHBondContact O-N 3.21Å; T380-D383 PolarHBondContact N-OD2 2.72Å; T380-D383 PolarHBondContact O-N 3.13Å; T380-D383 PolarHBondContact OG1-OD2 3.22Å
381S37.8Very low49.5Very low56 Ų5691.8 Ų91.839%0.39248%0.476SS..THydrogen-bonded Turntrans-57.5-18.5-177.957.10000114
382F35.8Very low47.5Very low135 Ų13596.9 Ų96.959%0.59251%0.511SS*.THydrogen-bonded Turntrans-76.9-31.3176.9-89.8-86.1000113.9T380 L384 R385T380-F382 PolarHBondContact O-N 3.21Å; F382-L384 VanDerWaalsContact C-N 3.31Å; F382-L384 PolarHBondContact O-N 2.82Å; F382-R385 PolarHBondContact O-N 3.46Å
383D38Very low45.4Very low73 Ų7397.6 Ų97.639%0.3952%0.52SS..THydrogen-bonded Turntrans-72.9-26.6-174.8-60.1-42.7000112.1L379 T380 R385 K386L379-D383 HydrophobicContact CD2-CB 4.05Å; T380-D383 PolarHBondContact N-OD2 2.72Å; T380-D383 PolarHBondContact O-N 3.13Å; T380-D383 PolarHBondContact OG1-OD2 3.22Å; D383-R385 PolarHBondContact O-N 3.47Å; D383-K386 PolarHBondContact O-N 3.36Å
384L41.2Very low43.7Very low111 Ų111102 Ų10258%0.58155%0.551SS**THydrogen-bonded Turntrans-65-19.1175.4-75.8167.3000113.7L379 F382L379-L384 HydrophobicContact CD1-CD2 3.87Å; L379-L384 HydrophobicContact CD1-CG 4.18Å; F382-L384 VanDerWaalsContact C-N 3.31Å; F382-L384 PolarHBondContact O-N 2.82Å
385R41.4Very low42.9Very low234 Ų234104.4 Ų104.488%0.88356%0.558SS**THydrogen-bonded Turntrans-103.7-17.5-178.7-69.1-170.9-175.2-174.72.5114F382 D383F382-R385 PolarHBondContact O-N 3.46Å; D383-R385 PolarHBondContact O-N 3.47Å
386K36.5Very low42.7Very low159 Ų159104 Ų10469%0.69156%0.555SS**SBendtrans-102.899.3-173.1-77.7-172.7175.9-178.70111.8D383D383-K386 PolarHBondContact O-N 3.36Å
387S33.6Very low43.2Very low100 Ų100106.5 Ų106.570%0.69957%0.565SS**  trans55.9134.6132.1-172.80000118.8A389S387-A389 PolarHBondContact O-N 3.35Å
388R45Very low44.2Very low257 Ų257106.9 Ų106.997%0.9757%0.566SS**SBendtrans-56.310.7175.4-76.1178.3174.2172.1-2.2116T390R388-T390 PolarHBondContact O-N 3.01Å
389A38Very low45.7Very low70 Ų70106.1 Ų106.158%0.57956%0.556SS**  trans-84111.217800000110.2S387 T391S387-A389 PolarHBondContact O-N 3.35Å; A389-T391 VanDerWaalsContact C-N 3.3Å; A389-T391 PolarHBondContact O-N 2.77Å
390T39Very low47.7Very low142 Ų142104.9 Ų104.987%0.87155%0.548SS*.  trans-64.861.6-173.147.10000115.2R388 S392R388-T390 PolarHBondContact O-N 3.01Å; T390-S392 PolarHBondContact O-N 2.78Å
391T35.3Very low49.6Very low129 Ų129106.5 Ų106.579%0.79155%0.547SS*.  trans-88.5100.3159.249.80000107.9A389 N393A389-T391 VanDerWaalsContact C-N 3.3Å; A389-T391 PolarHBondContact O-N 2.77Å; T391-N393 PolarHBondContact O-N 3.48Å
392S40.4Very low51.5Low107 Ų107104 Ų10475%0.74853%0.529SS*.  trans-38.9115.8-178530000111.9T390 S394T390-S392 PolarHBondContact O-N 2.78Å; S392-S394 PolarHBondContact O-N 2.75Å
393N41.5Very low53.2Low82 Ų8298.6 Ų98.644%0.43951%0.506SS..  trans-48.9108.6162-70.8-20.5000106.5T391 D395T391-N393 PolarHBondContact O-N 3.48Å; N393-D395 PolarHBondContact O-N 3.34Å
394S43.5Very low54.5Low92 Ų9296 Ų9664%0.64349%0.492SS*.  trans-62.3116.6-178.754.60000107.7S392 T396S392-S394 PolarHBondContact O-N 2.75Å; S394-T396 PolarHBondContact O-N 2.77Å
395D56.1Low55.6Low77 Ų7791.9 Ų91.941%0.41247%0.472SS..  trans-56.7106174.3-75.6-21.8000109.1P375 H377 N393 F397P375-D395 HydrophobicContact CB-CB 3.56Å; P375-D395 WeakPolarHBondContact CB-OD1 3.39Å; H377-D395 IonicContact CE1-OD1 3.46Å; H377-D395 PolarHBondContact CE1-OD1 3.33Å; H377-D395 IonicContact ND1-OD1 3.49Å; H377-D395 IonicContact NE2-OD1 2.72Å; N393-D395 PolarHBondContact O-N 3.34Å; D395-F397 HydrophobicContact CB-CD2 4.4Å; D395-F397 HydrophobicContact CB-CE2 3.6Å; D395-F397 HydrophobicContact CB-CZ 3.82Å; D395-F397 VanDerWaalsContact O-CD2 3.28Å; D395-F397 WeakPolarHBondContact O-CD2 3.3Å; D395-F397 WeakPolarHBondContact O-CE2 3.44Å
396T58.6Low57.1Low44 Ų4480.9 Ų80.927%0.2743%0.431SS..EExtended strand (participates in β ladder)trans-81.5131.3172.845.90000108.8I376 N378 S394I376-T396 WeakPolarHBondContact CA-O 3.23Å; I376-T396 VanDerWaalsContact CB-O 3.28Å; I376-T396 WeakPolarHBondContact CB-O 3.25Å; I376-T396 PolarHBondContact N-O 3.48Å; I376-T396 PolarHBondContact O-N 3.44Å; I376-T396 PolarHBondContact O-OG1 3.49Å; N378-T396 PolarHBondContact ND2-OG1 3.36Å; S394-T396 PolarHBondContact O-N 2.77Å
397F68.8Low58.9Low70 Ų7073.4 Ų73.431%0.30740%0.398SS..EExtended strand (participates in β ladder)trans-114.1140.8178.6-65.5-84.3000109.3R372 F373 P375 D395 Y399R372-F397 VanDerWaalsContact CD-CD1 3.5Å; R372-F397 HydrophobicContact CG-CB 3.93Å; R372-F397 HydrophobicContact CG-CD1 3.61Å; R372-F397 HydrophobicContact CG-CE1 4.45Å; R372-F397 HydrophobicContact CG-CG 4.03Å; F373-F397 WeakPolarHBondContact O-CA 3.28Å; P375-F397 HydrophobicContact CB-CE1 4.12Å; P375-F397 HydrophobicContact CB-CZ 4.18Å; D395-F397 HydrophobicContact CB-CD2 4.4Å; D395-F397 HydrophobicContact CB-CE2 3.6Å; D395-F397 HydrophobicContact CB-CZ 3.82Å; D395-F397 VanDerWaalsContact O-CD2 3.28Å; D395-F397 WeakPolarHBondContact O-CD2 3.3Å; D395-F397 WeakPolarHBondContact O-CE2 3.44Å; F397-Y399 HydrophobicContact CB-CD2 4.21Å; F397-Y399 HydrophobicContact CB-CE2 3.41Å; F397-Y399 VanDerWaalsContact CB-CE2 3.41Å; F397-Y399 HydrophobicContact CG-CE2 4.5Å
398H72.4Confident60.9Low65 Ų6568.9 Ų68.930%0.30137%0.366SS..EExtended strand (participates in β ladder)trans-100.8137.5170.1-173.173.7000109.1R346 R372 F373 I376 E400 F446R346-H398 PolarHBondContact NH2-NE2 2.79Å; R372-H398 CarbonylContact C-O 3.55Å; F373-H398 HydrophobicContact CB-CB 4.29Å; F373-H398 HydrophobicContact CD2-CB 4.46Å; F373-H398 AromaticContact CD2-CD2 3.84Å; F373-H398 WeakPolarHBondContact CD2-O 3.43Å; F373-H398 PolarHBondContact N-O 2.82Å; F373-H398 PolarHBondContact O-N 3.38Å; I376-H398 HydrophobicContact CD1-CB 3.75Å; H398-E400 IonicContact NE2-OE2 2.95Å; H398-F446 HydrophobicContact CB-CE2 3.98Å
399Y77.8Confident62.1Low97 Ų9758 Ų5838%0.3833%0.327SS..EExtended strand (participates in β ladder)trans-127.6136.4-179.9-59.4-101.6000110.4Q358 F370 V371 R372 F397Q358-Y399 HydrophobicContact CG-CE1 4.2Å; F370-Y399 HydrophobicContact CD1-CD1 4.25Å; F370-Y399 AromaticContact CE1-CD1 3.58Å; F370-Y399 HydrophobicContact CE1-CD1 3.58Å; F370-Y399 HydrophobicContact CE1-CE1 4.41Å; F370-Y399 HydrophobicContact CE1-CG 4.05Å; F370-Y399 AromaticContact CZ-CD1 3.9Å; F370-Y399 HydrophobicContact CZ-CD1 3.9Å; F370-Y399 AromaticContact CZ-CG 3.89Å; F370-Y399 HydrophobicContact CZ-CG 3.89Å; V371-Y399 WeakPolarHBondContact O-CA 2.94Å; R372-Y399 HydrophobicContact CB-CD1 3.67Å; R372-Y399 HydrophobicContact CB-CE1 3.45Å; R372-Y399 VanDerWaalsContact CB-CE1 3.45Å; R372-Y399 VanDerWaalsContact CD-OH 3.23Å; R372-Y399 WeakPolarHBondContact CD-OH 3.37Å; R372-Y399 HydrophobicContact CG-CD1 3.93Å; R372-Y399 HydrophobicContact CG-CE1 3.36Å; R372-Y399 HydrophobicContact CG-CE2 4.38Å; F397-Y399 HydrophobicContact CB-CD2 4.21Å; F397-Y399 HydrophobicContact CB-CE2 3.41Å; F397-Y399 VanDerWaalsContact CB-CE2 3.41Å; F397-Y399 HydrophobicContact CG-CE2 4.5Å
400E81.1Confident63.8Low38 Ų3855.5 Ų55.518%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-147.6148.1179.4-174.6176.317300110R346 V371 F373 H398 F402R346-E400 IonicContact CZ-OE2 3.82Å; R346-E400 IonicContact NE-OE2 2.62Å; R346-E400 PolarHBondContact NE-OE2 2.88Å; R346-E400 IonicContact NH2-OE2 3.03Å; R346-E400 PolarHBondContact NH2-OE2 3.21Å; V371-E400 PolarHBondContact N-O 3.3Å; V371-E400 PolarHBondContact O-N 3.02Å; V371-E400 VanDerWaalsContact O-N 3.14Å; F373-E400 HydrophobicContact CE2-CB 4.2Å; H398-E400 IonicContact NE2-OE2 2.95Å; E400-F402 HydrophobicContact CB-CE1 4.44Å; E400-F402 HydrophobicContact CB-CE2 3.56Å; E400-F402 HydrophobicContact CB-CZ 3.5Å; E400-F402 VanDerWaalsContact CB-CZ 3.5Å; E400-F402 HydrophobicContact CG-CE1 3.92Å; E400-F402 HydrophobicContact CG-CE2 3.89Å; E400-F402 HydrophobicContact CG-CZ 3.45Å; E400-F402 VanDerWaalsContact CG-CZ 3.45Å; E400-F402 WeakPolarHBondContact O-CD2 3.39Å; E400-F402 VanDerWaalsContact O-CE2 3.29Å; E400-F402 WeakPolarHBondContact O-CE2 3.36Å
401W80.5Confident65.3Low99 Ų9954.4 Ų54.438%0.37529%0.289SS..EExtended strand (participates in β ladder)trans-90131.3175.2-77.198.3000110.2T359 K361 Q368 V369 F370T359-W401 HydrophobicContact CG2-CH2 3.65Å; T359-W401 HydrophobicContact CG2-CZ2 4.2Å; T359-W401 HydrophobicContact CG2-CZ3 4.41Å; K361-W401 HydrophobicContact CB-CH2 3.58Å; K361-W401 HydrophobicContact CB-CZ3 3.52Å; K361-W401 HydrophobicContact CD-CH2 4.3Å; Q368-W401 HydrophobicContact CB-CE3 3.79Å; Q368-W401 HydrophobicContact CB-CZ3 4.21Å; V369-W401 VanDerWaalsContact C-CE3 3.43Å; V369-W401 WeakPolarHBondContact O-CA 3.36Å; F370-W401 HydrophobicContact CB-CD2 3.95Å; F370-W401 HydrophobicContact CB-CE3 3.83Å; F370-W401 HydrophobicContact CB-CH2 3.7Å; F370-W401 HydrophobicContact CB-CZ2 3.79Å; F370-W401 HydrophobicContact CB-CZ3 3.72Å; F370-W401 AromaticContact CD2-CD1 3.55Å; F370-W401 AromaticContact CD2-CD2 3.67Å; F370-W401 HydrophobicContact CD2-CD2 3.67Å; F370-W401 AromaticContact CD2-CE2 3.43Å; F370-W401 VanDerWaalsContact CD2-CE2 3.43Å; F370-W401 HydrophobicContact CD2-CE3 4.4Å; F370-W401 AromaticContact CD2-CG 3.77Å; F370-W401 HydrophobicContact CD2-CG 3.77Å; F370-W401 HydrophobicContact CD2-CZ2 4.01Å; F370-W401 AromaticContact CD2-NE1 3.32Å; F370-W401 VanDerWaalsContact CD2-NE1 3.32Å; F370-W401 AromaticContact CE2-CD1 3.77Å; F370-W401 HydrophobicContact CE2-CG 4.4Å; F370-W401 AromaticContact CE2-NE1 3.56Å; F370-W401 HydrophobicContact CG-CD2 4.2Å; F370-W401 AromaticContact CG-CE2 3.86Å; F370-W401 HydrophobicContact CG-CH2 4.39Å; F370-W401 AromaticContact CG-CZ2 3.97Å; F370-W401 HydrophobicContact CG-CZ2 3.97Å
402F76.4Confident66.8Low3 Ų350.9 Ų50.91%0.01326%0.263CS..EExtended strand (participates in β ladder)trans-124.5150.2179.1-61.6-77.6000110.3A344 R345 R346 Q368 V369 V371 F373 E400 I407A344-F402 HydrophobicContact CB-CD2 4.04Å; A344-F402 HydrophobicContact CB-CE2 4.08Å; A344-F402 HydrophobicContact CB-CG 4.31Å; A344-F402 HydrophobicContact CB-CZ 4.4Å; R345-F402 VanDerWaalsContact O-CD1 3.24Å; R345-F402 WeakPolarHBondContact O-CD1 3.27Å; R345-F402 WeakPolarHBondContact O-CE1 3.13Å; R346-F402 HydrophobicContact CG-CE1 4.21Å; R346-F402 HydrophobicContact CG-CZ 4.01Å; Q368-F402 CarbonylContact C-O 3.3Å; Q368-F402 WeakPolarHBondContact CA-O 3.3Å; Q368-F402 WeakPolarHBondContact CB-O 3.48Å; V369-F402 HydrophobicContact CG2-CB 4.14Å; V369-F402 PolarHBondContact N-O 2.75Å; V369-F402 PolarHBondContact O-N 2.94Å; V371-F402 HydrophobicContact CB-CD2 3.82Å; V371-F402 HydrophobicContact CB-CE2 3.85Å; V371-F402 HydrophobicContact CG2-CD2 3.68Å; V371-F402 HydrophobicContact CG2-CE2 4.22Å; F373-F402 AromaticContact CE2-CE2 3.55Å; F373-F402 HydrophobicContact CE2-CE2 3.55Å; F373-F402 AromaticContact CE2-CZ 3.69Å; F373-F402 HydrophobicContact CE2-CZ 3.69Å; F373-F402 AromaticContact CZ-CE2 3.45Å; F373-F402 HydrophobicContact CZ-CE2 3.45Å; F373-F402 VanDerWaalsContact CZ-CE2 3.45Å; F373-F402 AromaticContact CZ-CZ 3.53Å; F373-F402 HydrophobicContact CZ-CZ 3.53Å; E400-F402 HydrophobicContact CB-CE1 4.44Å; E400-F402 HydrophobicContact CB-CE2 3.56Å; E400-F402 HydrophobicContact CB-CZ 3.5Å; E400-F402 VanDerWaalsContact CB-CZ 3.5Å; E400-F402 HydrophobicContact CG-CE1 3.92Å; E400-F402 HydrophobicContact CG-CE2 3.89Å; E400-F402 HydrophobicContact CG-CZ 3.45Å; E400-F402 VanDerWaalsContact CG-CZ 3.45Å; E400-F402 WeakPolarHBondContact O-CD2 3.39Å; E400-F402 VanDerWaalsContact O-CE2 3.29Å; E400-F402 WeakPolarHBondContact O-CE2 3.36Å; F402-I407 HydrophobicContact CB-CD1 3.81Å; F402-I407 HydrophobicContact CB-CG1 4.39Å; F402-I407 HydrophobicContact CD2-CD1 4.39Å; F402-I407 HydrophobicContact CG-CD1 4.19Å
403D71.1Confident68.2Low21 Ų2145.8 Ų45.811%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-72.6142.8165.7-64.915.4000107.2V366 Q368 T405 E406 K527V366-D403 HydrophobicContact CG1-CB 4.22Å; Q368-D403 PolarHBondContact NE2-OD1 2.91Å; Q368-D403 VanDerWaalsContact NE2-OD1 3.17Å; D403-T405 PolarHBondContact O-N 3.37Å; D403-E406 PolarHBondContact O-N 2.86Å; D403-K527 IonicContact OD1-NZ 3.79Å; D403-K527 PolarHBondContact OD1-NZ 3.37Å; D403-K527 WeakPolarHBondContact OD2-CE 3.09Å; D403-K527 IonicContact OD2-NZ 3.53Å; D403-K527 PolarHBondContact OD2-NZ 2.87Å
404I65.2Low69.6Low18 Ų1844.4 Ų44.49%0.09222%0.22CC..G310 helixtrans-57.9-25.7-176.1-152.6150.4000112.5F323 W325 L337 V366 D367 V369 E406 I407F323-I404 VanDerWaalsContact CZ-O 3.29Å; F323-I404 WeakPolarHBondContact CZ-O 3.41Å; W325-I404 HydrophobicContact CE3-CD1 4.31Å; W325-I404 HydrophobicContact CH2-CD1 3.28Å; W325-I404 HydrophobicContact CH2-CG1 3.43Å; W325-I404 VanDerWaalsContact CH2-CG1 3.43Å; W325-I404 HydrophobicContact CZ2-CD1 4.49Å; W325-I404 HydrophobicContact CZ3-CD1 3.17Å; W325-I404 HydrophobicContact CZ3-CG1 3.56Å; L337-I404 HydrophobicContact CD1-CD1 4.27Å; V366-I404 HydrophobicContact CG1-CG2 3.66Å; D367-I404 HydrophobicContact CB-CD1 4.27Å; D367-I404 WeakPolarHBondContact O-CB 3.4Å; D367-I404 PolarHBondContact O-N 3.27Å; V369-I404 HydrophobicContact CG1-CD1 3.95Å; V369-I404 HydrophobicContact CG1-CG1 4.05Å; I404-E406 VanDerWaalsContact C-N 3.29Å; I404-E406 PolarHBondContact O-N 3.44Å; I404-I407 WeakPolarHBondContact O-CB 3.33Å; I404-I407 PolarHBondContact O-N 3.18Å
405T64.6Low70.8Confident26 Ų2645.2 Ų45.216%0.1621%0.209CC..G310 helixtrans-61-37.7174.157.50000111.6R319 V366 D403 I407R319-T405 WeakPolarHBondContact CD-O 3.38Å; R319-T405 PolarHBondContact NE-O 3.04Å; R319-T405 PolarHBondContact NH1-O 3.26Å; V366-T405 HydrophobicContact CG1-CG2 4.1Å; D403-T405 PolarHBondContact O-N 3.37Å; T405-I407 PolarHBondContact O-N 3.05Å; T405-I407 VanDerWaalsContact O-N 3.11Å
406E74.1Confident71.5Confident3 Ų344.4 Ų44.41%0.01420%0.202CC..G310 helixtrans-79.212.2-175.6-63.8-59.9159.700114.3R319 R345 D403 I404 R511R319-E406 IonicContact NH1-OE2 3.52Å; R345-E406 HydrophobicContact CB-CB 4.19Å; R345-E406 WeakPolarHBondContact CD-OE2 3.39Å; R345-E406 PolarHBondContact N-O 2.47Å; R345-E406 VanDerWaalsContact N-O 3.09Å; R345-E406 IonicContact NH1-OE2 2.75Å; D403-E406 PolarHBondContact O-N 2.86Å; I404-E406 VanDerWaalsContact C-N 3.29Å; I404-E406 PolarHBondContact O-N 3.44Å; E406-R511 IonicContact OE1-CZ 3.94Å; E406-R511 VanDerWaalsContact OE1-CZ 3.27Å; E406-R511 IonicContact OE1-NH1 3.85Å; E406-R511 PolarHBondContact OE1-NH1 3.42Å; E406-R511 IonicContact OE1-NH2 3.27Å; E406-R511 PolarHBondContact OE1-NH2 2.97Å; E406-R511 IonicContact OE2-NH1 3.81Å; E406-R511 IonicContact OE2-NH2 3Å
407I74.5Confident72.4Confident2 Ų244.9 Ų44.91%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-111.3138.8-176.4-56-65.3000109.2F323 V342 L343 A344 V369 V371 F402 I404 T405F323-I407 HydrophobicContact CZ-CB 4.41Å; F323-I407 WeakPolarHBondContact CZ-O 3.14Å; V342-I407 HydrophobicContact CB-CG2 3.55Å; V342-I407 HydrophobicContact CG1-CG2 3.62Å; V342-I407 HydrophobicContact CG2-CG2 3.91Å; L343-I407 WeakPolarHBondContact O-CA 3.31Å; A344-I407 HydrophobicContact CB-CD1 3.46Å; A344-I407 VanDerWaalsContact CB-CD1 3.46Å; V369-I407 HydrophobicContact CG2-CD1 3.54Å; V369-I407 HydrophobicContact CG2-CG1 3.45Å; V369-I407 VanDerWaalsContact CG2-CG1 3.45Å; V371-I407 HydrophobicContact CG2-CD1 3.89Å; F402-I407 HydrophobicContact CB-CD1 3.81Å; F402-I407 HydrophobicContact CB-CG1 4.39Å; F402-I407 HydrophobicContact CD2-CD1 4.39Å; F402-I407 HydrophobicContact CG-CD1 4.19Å; I404-I407 WeakPolarHBondContact O-CB 3.33Å; I404-I407 PolarHBondContact O-N 3.18Å; T405-I407 PolarHBondContact O-N 3.05Å; T405-I407 VanDerWaalsContact O-N 3.11Å
408I74.1Confident73.1Confident4 Ų441.6 Ų41.62%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-116.4121.9169.5-59.9169.2000107.3V342 L343 Y352 L410 A413 L425 V502 I504V342-I408 CarbonylContact C-O 3.49Å; V342-I408 VanDerWaalsContact CA-O 3.3Å; V342-I408 WeakPolarHBondContact CA-O 3.38Å; V342-I408 WeakPolarHBondContact CB-O 3.37Å; L343-I408 HydrophobicContact CB-CB 4.24Å; L343-I408 PolarHBondContact N-O 3Å; L343-I408 PolarHBondContact O-N 3.4Å; Y352-I408 HydrophobicContact CD1-CD1 4.07Å; Y352-I408 HydrophobicContact CE1-CD1 3.56Å; Y352-I408 HydrophobicContact CE1-CG1 3.88Å; I408-L410 PolarHBondContact O-N 3.32Å; I408-L410 VanDerWaalsContact O-N 3.14Å; I408-A413 HydrophobicContact CG2-CB 3.57Å; I408-L425 HydrophobicContact CD1-CD1 3.75Å; I408-V502 HydrophobicContact CG2-CG1 4.42Å; I408-I504 HydrophobicContact CD1-CG2 3.84Å
409D70.3Confident73.5Confident29 Ų2942.2 Ų42.216%0.15520%0.196CC..EExtended strand (participates in β ladder)trans-63112.3168.3177.3-3.8000109Q340 E411 H412 A413Q340-D409 PolarHBondContact NE2-OD1 3.11Å; Q340-D409 PolarHBondContact NE2-OD2 3.29Å; D409-E411 VanDerWaalsContact C-N 3.34Å; D409-E411 PolarHBondContact OD1-N 3.36Å; D409-H412 HydrophobicContact CB-CB 3.97Å; D409-H412 PolarHBondContact OD1-N 2.74Å; D409-H412 WeakPolarHBondContact OD2-CB 3.43Å; D409-A413 WeakPolarHBondContact O-CB 3.3Å; D409-A413 PolarHBondContact O-N 2.97Å
410L74.8Confident73.7Confident17 Ų1744.4 Ų44.49%0.08921%0.21CC..Hα-helixtrans-68.4-36.6-176.3-175.566.5000111.6K341 L343 L354 I408 I414 V502K341-L410 HydrophobicContact CB-CD2 4.27Å; K341-L410 WeakPolarHBondContact O-CB 3.15Å; K341-L410 PolarHBondContact O-N 3.07Å; L343-L410 HydrophobicContact CD1-CD1 4.2Å; L343-L410 HydrophobicContact CD2-CD1 4.28Å; L343-L410 HydrophobicContact CG-CD1 4.05Å; L354-L410 HydrophobicContact CD1-CD2 3.6Å; I408-L410 PolarHBondContact O-N 3.32Å; I408-L410 VanDerWaalsContact O-N 3.14Å; L410-I414 HydrophobicContact CD1-CD1 3.74Å; L410-I414 HydrophobicContact CD1-CG1 4.03Å; L410-I414 HydrophobicContact CD2-CD1 4.34Å; L410-I414 HydrophobicContact CG-CD1 3.66Å; L410-I414 HydrophobicContact CG-CG1 4.29Å; L410-I414 VanDerWaalsContact O-CB 3.31Å; L410-I414 WeakPolarHBondContact O-CB 3.36Å; L410-I414 WeakPolarHBondContact O-CD1 3.39Å; L410-I414 WeakPolarHBondContact O-CG1 3.45Å; L410-I414 PolarHBondContact O-N 3.31Å; L410-V502 HydrophobicContact CD1-CG2 3.64Å
411E70.2Confident73.5Confident119 Ų11945 Ų4556%0.55623%0.226SC*.Hα-helixtrans-68.1-43.2-178.2-167.6-174.4153.500110.5D409 R415D409-E411 VanDerWaalsContact C-N 3.34Å; D409-E411 PolarHBondContact OD1-N 3.36Å; E411-R415 WeakPolarHBondContact O-CG 3.38Å; E411-R415 IonicContact OE1-CZ 3.4Å; E411-R415 IonicContact OE1-NH2 3.38Å; E411-R415 PolarHBondContact OE1-NH2 2.99Å
412H67Low73.6Confident55 Ų5542.2 Ų42.226%0.25522%0.219SC..Hα-helixtrans-67.1-50.1175.4-173.175.5000111.5C321 D409 I414 R415 H416C321-H412 PolarHBondContact O-NE2 2.96Å; D409-H412 HydrophobicContact CB-CB 3.97Å; D409-H412 PolarHBondContact OD1-N 2.74Å; D409-H412 WeakPolarHBondContact OD2-CB 3.43Å; H412-I414 VanDerWaalsContact C-N 3.26Å; H412-I414 PolarHBondContact O-N 3.21Å; H412-R415 WeakPolarHBondContact O-CB 3.44Å; H412-R415 PolarHBondContact O-N 2.73Å; H412-H416 AromaticContact CD2-NE2 3.85Å; H412-H416 AromaticContact NE2-NE2 3.57Å
413A69.3Low73.9Confident1 Ų142.6 Ų42.61%0.00822%0.222CC..Hα-helixtrans-65.2-29.3-175.400000112.8I408 D409 R415 H416 V502I408-A413 HydrophobicContact CG2-CB 3.57Å; D409-A413 WeakPolarHBondContact O-CB 3.3Å; D409-A413 PolarHBondContact O-N 2.97Å; A413-R415 VanDerWaalsContact C-N 3.27Å; A413-R415 PolarHBondContact O-N 3.34Å; A413-H416 PolarHBondContact O-N 3.26Å; A413-V502 HydrophobicContact CB-CG1 3.38Å
414I71.7Confident74.6Confident53 Ų5341.6 Ų41.627%0.27222%0.217SC..Hα-helixtrans-68.3-23.3173-72171.3000111.8L410 H412 H416 R463 V502L410-I414 HydrophobicContact CD1-CD1 3.74Å; L410-I414 HydrophobicContact CD1-CG1 4.03Å; L410-I414 HydrophobicContact CD2-CD1 4.34Å; L410-I414 HydrophobicContact CG-CD1 3.66Å; L410-I414 HydrophobicContact CG-CG1 4.29Å; L410-I414 VanDerWaalsContact O-CB 3.31Å; L410-I414 WeakPolarHBondContact O-CB 3.36Å; L410-I414 WeakPolarHBondContact O-CD1 3.39Å; L410-I414 WeakPolarHBondContact O-CG1 3.45Å; L410-I414 PolarHBondContact O-N 3.31Å; H412-I414 VanDerWaalsContact C-N 3.26Å; H412-I414 PolarHBondContact O-N 3.21Å; I414-H416 PolarHBondContact O-N 2.95Å; I414-R463 WeakPolarHBondContact O-CD 3.37Å; I414-R463 PolarHBondContact O-NE 2.73Å; I414-R463 PolarHBondContact O-NH1 3.3Å; I414-V502 HydrophobicContact CG1-CG2 4.19Å
415R68.1Low75.6Confident109 Ų10940.8 Ų40.841%0.41121%0.212SC..Hα-helixtrans-72.5-17.4179.7-65.1172.8-168.2-169.53.8113.6E411 H412 A413 S417 R463E411-R415 WeakPolarHBondContact O-CG 3.38Å; E411-R415 IonicContact OE1-CZ 3.4Å; E411-R415 IonicContact OE1-NH2 3.38Å; E411-R415 PolarHBondContact OE1-NH2 2.99Å; H412-R415 WeakPolarHBondContact O-CB 3.44Å; H412-R415 PolarHBondContact O-N 2.73Å; A413-R415 VanDerWaalsContact C-N 3.27Å; A413-R415 PolarHBondContact O-N 3.34Å; R415-S417 PolarHBondContact O-N 3.04Å; R415-R463 WeakPolarHBondContact O-CB 3.12Å
416H71.3Confident76.6Confident59 Ų5939.6 Ų39.627%0.27321%0.205SC..SBendtrans-67.4130.7179.1-73.2-92.4000111.7H412 A413 I414 R463 W503H412-H416 AromaticContact CD2-NE2 3.85Å; H412-H416 AromaticContact NE2-NE2 3.57Å; A413-H416 PolarHBondContact O-N 3.26Å; I414-H416 PolarHBondContact O-N 2.95Å; H416-R463 WeakPolarHBondContact O-CD 3.47Å; H416-W503 HydrophobicContact CB-CB 3.87Å; H416-W503 HydrophobicContact CB-CG 4.34Å
417S77.6Confident76.9Confident55 Ų5541 Ų4139%0.38521%0.214SC..  trans-63.3145165.847.50000110.5R415 E461R415-S417 PolarHBondContact O-N 3.04Å; S417-E461 CarbonylContact C-O 3.57Å; S417-E461 WeakPolarHBondContact CA-O 3.08Å; S417-E461 WeakPolarHBondContact CB-O 3.24Å
418I81.8Confident76.5Confident0 Ų045 Ų450%023%0.23CC..BIsolated β-bridgetrans-120.5129.1-179-62.1177.2000108.8D422 V424 V456 E461 L480 A501 W503I418-D422 HydrophobicContact CG2-CB 4.35Å; I418-V424 HydrophobicContact CD1-CG1 4.03Å; I418-V424 HydrophobicContact CG1-CG1 4.46Å; I418-V424 HydrophobicContact CG2-CG1 3.97Å; I418-V456 HydrophobicContact CG2-CB 4.49Å; I418-V456 HydrophobicContact CG2-CG2 3.55Å; I418-E461 HydrophobicContact CB-CB 4.37Å; I418-E461 PolarHBondContact N-O 2.79Å; I418-E461 PolarHBondContact O-N 3.33Å; I418-L480 HydrophobicContact CB-CD1 4.48Å; I418-L480 HydrophobicContact CD1-CD1 4.35Å; I418-L480 HydrophobicContact CG2-CD1 4.07Å; I418-A501 HydrophobicContact CD1-CB 3.67Å; I418-A501 VanDerWaalsContact CD1-O 3.32Å; I418-A501 WeakPolarHBondContact CD1-O 3.3Å; I418-W503 HydrophobicContact CG1-CB 4.27Å
419E80.9Confident75.8Confident78 Ų7845.9 Ų45.936%0.36424%0.236SC..  trans-122.1170.2178.7-49.6-157.1153.700111.2D422 V456 R460E419-D422 PolarHBondContact N-OD2 2.92Å; E419-D422 WeakPolarHBondContact O-CB 3.4Å; E419-D422 PolarHBondContact O-N 2.91Å; E419-V456 WeakPolarHBondContact O-CB 3.36Å; E419-R460 HydrophobicContact CG-CG 4.29Å; E419-R460 IonicContact OE1-CZ 3.07Å; E419-R460 IonicContact OE1-NE 2.88Å; E419-R460 PolarHBondContact OE1-NE 3.38Å; E419-R460 IonicContact OE1-NH2 2.63Å; E419-R460 PolarHBondContact OE1-NH2 3.49Å
420Q82.7Confident74.3Confident143 Ų14352.7 Ų52.767%0.66826%0.26SS*.THydrogen-bonded Turntrans-63.7136.4175.2-180176.7-1.500110.3D422 V457Q420-D422 VanDerWaalsContact C-N 3.31Å; Q420-V457 VanDerWaalsContact CG-O 3.31Å; Q420-V457 WeakPolarHBondContact CG-O 3.47Å; Q420-V457 PolarHBondContact NE2-O 3.29Å
421G77.3Confident72.8Confident50 Ų5056.2 Ų56.252%0.51528%0.284SS..THydrogen-bonded Turntrans89.6-12.3-174.900000114.1V456G421-V456 PolarHBondContact N-O 3.03Å
422D83.4Confident71.5Confident41 Ų4153.2 Ų53.222%0.21927%0.269CS..  trans-67.1145.3177.4-78.7-26.3000112I418 E419 Q420 I455 V456I418-D422 HydrophobicContact CG2-CB 4.35Å; E419-D422 PolarHBondContact N-OD2 2.92Å; E419-D422 WeakPolarHBondContact O-CB 3.4Å; E419-D422 PolarHBondContact O-N 2.91Å; Q420-D422 VanDerWaalsContact C-N 3.31Å; D422-I455 WeakPolarHBondContact O-CA 3.42Å; D422-V456 HydrophobicContact CB-CG2 4.43Å; D422-V456 PolarHBondContact O-N 3.44Å
423C82.3Confident70.2Confident12 Ų1253.5 Ų53.58%0.08128%0.276CS..EExtended strand (participates in β ladder)trans-85.7132.9171-63.50000109.8I504 Y509C423-I504 HydrophobicContact CB-CG1 4.06Å; C423-I504 WeakPolarHBondContact O-CG1 3.4Å; C423-I504 PolarHBondContact O-N 2.86Å; C423-I504 VanDerWaalsContact O-O 3.07Å; C423-Y509 HydrophobicContact CB-CD2 3.98Å; C423-Y509 HydrophobicContact CB-CG 3.83Å
424V84.4Confident68.7Low0 Ų059.2 Ų59.20%030%0.301CS..EExtended strand (participates in β ladder)trans-138.4157.5-174.8-63.90000112.3I418 V426 A453 A454 V456 V482 A501 V502I418-V424 HydrophobicContact CD1-CG1 4.03Å; I418-V424 HydrophobicContact CG1-CG1 4.46Å; I418-V424 HydrophobicContact CG2-CG1 3.97Å; V424-V426 HydrophobicContact CB-CG1 4.48Å; V424-V426 HydrophobicContact CG2-CG1 3.81Å; V424-A453 CarbonylContact O-C 3.59Å; V424-A453 WeakPolarHBondContact O-CA 3.2Å; V424-A454 HydrophobicContact CG2-CB 4.08Å; V424-A454 PolarHBondContact N-O 3.03Å; V424-A454 PolarHBondContact O-N 2.9Å; V424-V456 HydrophobicContact CG1-CG2 3.71Å; V424-V456 HydrophobicContact CG2-CG2 3.91Å; V424-V482 HydrophobicContact CG2-CG1 4.17Å; V424-A501 HydrophobicContact CB-CB 4.27Å; V424-A501 HydrophobicContact CG1-CB 4.35Å; V424-A501 HydrophobicContact CG2-CB 4.48Å; V424-V502 CarbonylContact C-O 3.44Å; V424-V502 WeakPolarHBondContact CA-O 3.37Å; V424-V502 WeakPolarHBondContact CB-O 3.48Å
425L87.4Confident67.2Low0 Ų057.9 Ų57.90%030%0.296CS..EExtended strand (participates in β ladder)trans-101.5130.2163.3-74.3176.3000109.5L343 Y352 I408 Y451 Y452 A453 V502 I504 I512L343-L425 HydrophobicContact CD1-CB 4.42Å; L343-L425 HydrophobicContact CD1-CD1 3.9Å; Y352-L425 HydrophobicContact CD1-CD1 4.17Å; Y352-L425 HydrophobicContact CD2-CD1 3.89Å; Y352-L425 HydrophobicContact CD2-CD2 4.23Å; Y352-L425 HydrophobicContact CE2-CD1 4.43Å; Y352-L425 HydrophobicContact CG-CD1 3.73Å; I408-L425 HydrophobicContact CD1-CD1 3.75Å; L425-Y451 HydrophobicContact CB-CD1 3.94Å; L425-Y452 CarbonylContact C-O 3.53Å; L425-Y452 WeakPolarHBondContact CA-O 3.44Å; L425-A453 HydrophobicContact CD2-CB 4.43Å; L425-V502 HydrophobicContact CB-CB 4.3Å; L425-V502 PolarHBondContact N-O 2.94Å; L425-V502 PolarHBondContact O-N 2.86Å; L425-I504 HydrophobicContact CB-CG2 4.48Å; L425-I504 HydrophobicContact CD1-CG2 3.74Å; L425-I504 HydrophobicContact CD2-CD1 4.31Å; L425-I504 HydrophobicContact CG-CD1 4.04Å; L425-I504 HydrophobicContact CG-CG1 4.49Å; L425-I504 HydrophobicContact CG-CG2 3.76Å; L425-I512 HydrophobicContact CD2-CD1 4Å
426V84.8Confident65.9Low1 Ų158.4 Ų58.41%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-128.4139.6-177.8-59.50000111.6V424 Y451 Y452 A454 V482 L484 I494 V496 A501V424-V426 HydrophobicContact CB-CG1 4.48Å; V424-V426 HydrophobicContact CG2-CG1 3.81Å; V426-Y451 CarbonylContact O-C 3.51Å; V426-Y451 VanDerWaalsContact O-CA 3.3Å; V426-Y451 WeakPolarHBondContact O-CA 3.31Å; V426-Y452 PolarHBondContact N-O 2.95Å; V426-Y452 PolarHBondContact O-N 2.93Å; V426-A454 HydrophobicContact CG2-CB 4.08Å; V426-V482 HydrophobicContact CG1-CG1 4.47Å; V426-V482 HydrophobicContact CG1-CG2 4.17Å; V426-V482 HydrophobicContact CG2-CG2 4.26Å; V426-L484 HydrophobicContact CG2-CD2 3.55Å; V426-I494 HydrophobicContact CG2-CD1 4.16Å; V426-V496 HydrophobicContact CB-CG1 4.43Å; V426-V496 HydrophobicContact CB-CG2 4Å; V426-V496 HydrophobicContact CG1-CG1 4.19Å; V426-V496 HydrophobicContact CG1-CG2 3.95Å; V426-V496 HydrophobicContact CG2-CG2 4.45Å; V426-A501 HydrophobicContact CG1-CB 4.02Å
427P79.9Confident64.5Low33 Ų3362.9 Ų62.921%0.21434%0.338CS..EExtended strand (participates in β ladder)trans-67.7143.5-177.627.3-34.1000112.1S429 Y451P427-S429 PolarHBondContact O-N 2.86Å; P427-Y451 HydrophobicContact CB-CE1 4.42Å; P427-Y451 HydrophobicContact CB-CE2 4.38Å
428Y67.7Low63.2Low86 Ų8665.1 Ų65.134%0.33735%0.345SS..SBendtrans-56.8-41.6-174.1-173.2-134.8000115.2R450 Y452Y428-R450 PolarHBondContact N-O 3.04Å; Y428-Y452 VanDerWaalsContact CB-CE2 3.48Å; Y428-Y452 AromaticContact CD2-CD2 3.77Å; Y428-Y452 HydrophobicContact CD2-CD2 3.77Å; Y428-Y452 HydrophobicContact CD2-CE1 4.29Å; Y428-Y452 AromaticContact CD2-CE2 2.96Å; Y428-Y452 HydrophobicContact CD2-CE2 2.96Å; Y428-Y452 AromaticContact CD2-CZ 3.25Å; Y428-Y452 VanDerWaalsContact CD2-OH 3.24Å; Y428-Y452 WeakPolarHBondContact CD2-OH 3.27Å; Y428-Y452 HydrophobicContact CE2-CE1 4.44Å; Y428-Y452 AromaticContact CE2-CE2 3.79Å; Y428-Y452 HydrophobicContact CE2-CE2 3.79Å; Y428-Y452 AromaticContact CE2-CZ 3.54Å; Y428-Y452 WeakPolarHBondContact CE2-OH 3.26Å; Y428-Y452 HydrophobicContact CG-CD2 4.25Å; Y428-Y452 AromaticContact CG-CE2 3.44Å; Y428-Y452 HydrophobicContact CG-CE2 3.44Å; Y428-Y452 VanDerWaalsContact CG-CE2 3.44Å
429S57.9Low61.5Low22 Ų2270.9 Ų70.915%0.15438%0.376CS..  trans-14694.4-165.445.40000110.5P427 N448P427-S429 PolarHBondContact O-N 2.86Å; S429-N448 PolarHBondContact OG-OD1 3.34Å
430W39.6Very low59.8Low172 Ų17273.5 Ų73.565%0.65239%0.39SS*.SBendtrans-125.5127.9154.8-138.768.3000110.4F432 P497W430-F432 AromaticContact NE1-CE2 3.96Å; W430-P497 HydrophobicContact CE3-CG 4.4Å
431P42.6Very low58Low92 Ų9271.9 Ų71.960%0.59738%0.382SS*.SBendcis-81.3154.40.531.9-31.7000113
432F43.9Very low56.5Low56 Ų5674.7 Ų74.725%0.24638%0.38CS..PPolyproline II helixtrans-53.4138.3172.9-67.7-83.7000110.4W430 K434 E441 N448W430-F432 AromaticContact NE1-CE2 3.96Å; F432-K434 PolarHBondContact O-N 3.23Å; F432-K434 VanDerWaalsContact O-N 3.08Å; F432-E441 HydrophobicContact CB-CB 4.21Å; F432-E441 HydrophobicContact CB-CG 4.44Å; F432-N448 HydrophobicContact CD1-CB 4.35Å; F432-N448 HydrophobicContact CE1-CB 3.87Å
433P38.9Very low54.7Low61 Ų6175.2 Ų75.240%0.39639%0.386SS..PPolyproline II helixtrans-58.9119.617820.7-29.2000109.5K442P433-K442 HydrophobicContact CB-CD 4.1Å; P433-K442 HydrophobicContact CG-CB 4.3Å; P433-K442 HydrophobicContact CG-CD 3.98Å; P433-K442 WeakPolarHBondContact O-CB 3.41Å; P433-K442 WeakPolarHBondContact O-CG 3.31Å; P433-K442 PolarHBondContact O-N 2.91Å
434K38.6Very low53.2Low120 Ų12075.9 Ų75.952%0.52239%0.391SS..BIsolated β-bridgetrans-74.9137.8174.1-67.1-175.2178.9-174.60109.5F432 P436 M440 E441F432-K434 PolarHBondContact O-N 3.23Å; F432-K434 VanDerWaalsContact O-N 3.08Å; K434-P436 WeakPolarHBondContact O-CD 3.16Å; K434-M440 WeakPolarHBondContact CA-O 3.4Å; K434-E441 HydrophobicContact CG-CG 4.47Å
435C39.5Very low52Low25 Ų2578.3 Ų78.317%0.16941%0.407CS..PPolyproline II helixtrans-65.1118.6167.71770000107.8I437 L438 N439 M440 K442C435-I437 PolarHBondContact O-N 3.41Å; C435-I437 VanDerWaalsContact O-N 3.12Å; C435-L438 HydrophobicContact CB-CB 4.21Å; C435-L438 PolarHBondContact O-N 3.46Å; C435-N439 VanDerWaalsContact O-CA 3.31Å; C435-N439 WeakPolarHBondContact O-CA 2.98Å; C435-N439 PolarHBondContact O-N 3Å; C435-M440 PolarHBondContact N-O 3.12Å; C435-K442 HydrophobicContact CB-CG 4.44Å
436P40.4Very low50.8Low120 Ų12080 Ų8078%0.77942%0.415SS*.THydrogen-bonded Turntrans-61.5-24.8-177.221.5-30.8000112.7K434K434-P436 WeakPolarHBondContact O-CD 3.16Å
437I42.8Very low49.8Very low153 Ų15384.2 Ų84.279%0.78543%0.434SS*.THydrogen-bonded Turntrans-83.2-44.5-178.3-59.9169000111.7C435C435-I437 PolarHBondContact O-N 3.41Å; C435-I437 VanDerWaalsContact O-N 3.12Å
438L50.5Low49.1Very low102 Ų10283.8 Ų83.853%0.53443%0.43SS..THydrogen-bonded Turntrans-92.9-13.8-175.5-64.4172.4000112.9C435 M440C435-L438 HydrophobicContact CB-CB 4.21Å; C435-L438 PolarHBondContact O-N 3.46Å; L438-M440 HydrophobicContact CB-CB 4.29Å; L438-M440 HydrophobicContact CB-CG 4.28Å; L438-M440 WeakPolarHBondContact O-CG 3.44Å; L438-M440 PolarHBondContact O-N 3.42Å
439N46.7Very low49.3Very low122 Ų12281.1 Ų81.165%0.65242%0.422SS*.  trans50.621.7-169.6-152.115.1000113.8C435C435-N439 VanDerWaalsContact O-CA 3.31Å; C435-N439 WeakPolarHBondContact O-CA 2.98Å; C435-N439 PolarHBondContact O-N 3Å
440M44.5Very low50.4Low133 Ų13381.1 Ų81.166%0.65542%0.418SS*.SBendtrans-98.8146.3174.1-64.9-164.8-176.800109.5K434 C435 L438 K442K434-M440 WeakPolarHBondContact CA-O 3.4Å; C435-M440 PolarHBondContact N-O 3.12Å; L438-M440 HydrophobicContact CB-CB 4.29Å; L438-M440 HydrophobicContact CB-CG 4.28Å; L438-M440 WeakPolarHBondContact O-CG 3.44Å; L438-M440 PolarHBondContact O-N 3.42Å; M440-K442 PolarHBondContact O-N 2.9Å
441E45.1Very low52.6Low109 Ų10974.1 Ų74.151%0.50939%0.392SS..BIsolated β-bridgetrans-55.9129.4171.9-66-176.1165.500108.9F432 K434F432-E441 HydrophobicContact CB-CB 4.21Å; F432-E441 HydrophobicContact CB-CG 4.44Å; K434-E441 HydrophobicContact CG-CG 4.47Å
442K45.2Very low54.6Low109 Ų10970.7 Ų70.747%0.47437%0.367SS..PPolyproline II helixtrans-59.5138.3176.8-83.1-178.4179.7-178.90108.7P433 C435 M440P433-K442 HydrophobicContact CB-CD 4.1Å; P433-K442 HydrophobicContact CG-CB 4.3Å; P433-K442 HydrophobicContact CG-CD 3.98Å; P433-K442 WeakPolarHBondContact O-CB 3.41Å; P433-K442 WeakPolarHBondContact O-CG 3.31Å; P433-K442 PolarHBondContact O-N 2.91Å; C435-K442 HydrophobicContact CB-CG 4.44Å; M440-K442 PolarHBondContact O-N 2.9Å
443P45.1Very low56.4Low52 Ų5268.1 Ų68.134%0.33836%0.357SS..PPolyproline II helixtrans-55143173.78.6-16.7000111.8H377 L379 S445H377-P443 HydrophobicContact CB-CB 3.49Å; H377-P443 VanDerWaalsContact CB-CB 3.49Å; L379-P443 HydrophobicContact CD1-CG 3.28Å; L379-P443 HydrophobicContact CG-CG 3.79Å; P443-S445 PolarHBondContact O-N 3.28Å
444S51.5Low58.5Low26 Ų2665.2 Ų65.218%0.18234%0.338CS..  trans-63.4111.8-173.727.90000112.1P375 H377P375-S444 PolarHBondContact O-OG 2.71Å; H377-S444 PolarHBondContact N-O 3.18Å
445S59.1Low60.6Low50 Ų5062 Ų6235%0.3533%0.326SS..  trans-70157.2158.865.50000109.5P443 E447 N448P443-S445 PolarHBondContact O-N 3.28Å; S445-E447 PolarHBondContact O-N 2.85Å; S445-N448 PolarHBondContact N-ND2 3.23Å; S445-N448 WeakPolarHBondContact O-CB 3.35Å; S445-N448 PolarHBondContact O-N 3.14Å; S445-N448 PolarHBondContact OG-ND2 3.33Å
446F62.1Low62.6Low36 Ų3660.9 Ų60.916%0.15832%0.318CS..G310 helixtrans-55.3-35.7175.8-170.9-100.5000112.5Y353 F373 I376 H398 N448 L449Y353-F446 HydrophobicContact CD1-CD1 4.03Å; Y353-F446 AromaticContact CD1-CE1 3.45Å; Y353-F446 HydrophobicContact CD1-CE1 3.45Å; Y353-F446 VanDerWaalsContact CD1-CE1 3.45Å; Y353-F446 AromaticContact CD1-CZ 3.82Å; Y353-F446 HydrophobicContact CD1-CZ 3.82Å; Y353-F446 HydrophobicContact CD2-CE1 4.33Å; Y353-F446 AromaticContact CE1-CD1 3.49Å; Y353-F446 HydrophobicContact CE1-CD1 3.49Å; Y353-F446 VanDerWaalsContact CE1-CD1 3.49Å; Y353-F446 AromaticContact CE1-CE1 3.17Å; Y353-F446 HydrophobicContact CE1-CE1 3.17Å; Y353-F446 HydrophobicContact CE1-CG 4.48Å; Y353-F446 HydrophobicContact CE1-CZ 4.02Å; Y353-F446 HydrophobicContact CE2-CE1 4.08Å; Y353-F446 HydrophobicContact CG-CE1 4.02Å; Y353-F446 HydrophobicContact CG-CZ 4.13Å; Y353-F446 AromaticContact CZ-CE1 3.49Å; Y353-F446 VanDerWaalsContact CZ-CE1 3.49Å; F373-F446 HydrophobicContact CB-CD2 4.44Å; F373-F446 HydrophobicContact CB-CE2 3.51Å; F373-F446 HydrophobicContact CB-CZ 4.23Å; F373-F446 HydrophobicContact CD2-CE2 4.33Å; F373-F446 HydrophobicContact CD2-CZ 4.37Å; F373-F446 AromaticContact CG-CE2 3.92Å; F373-F446 HydrophobicContact CG-CE2 3.92Å; F373-F446 HydrophobicContact CG-CZ 4.14Å; I376-F446 HydrophobicContact CD1-CB 4.49Å; I376-F446 HydrophobicContact CD1-CD2 3.46Å; I376-F446 VanDerWaalsContact CD1-CD2 3.46Å; I376-F446 HydrophobicContact CD1-CE2 4.12Å; I376-F446 HydrophobicContact CD1-CG 4.42Å; I376-F446 HydrophobicContact CG1-CD2 3.98Å; I376-F446 HydrophobicContact CG2-CB 4.47Å; H398-F446 HydrophobicContact CB-CE2 3.98Å; F446-N448 PolarHBondContact O-N 3.34Å; F446-L449 HydrophobicContact CD2-CD1 4.36Å; F446-L449 WeakPolarHBondContact O-CB 3.41Å; F446-L449 PolarHBondContact O-N 2.9Å
447E64.6Low64.6Low90 Ų9057.1 Ų57.142%0.42129%0.293SS..G310 helixtrans-61.1-27.8176.8-62179.1162.600113.4S445 L449 R450S445-E447 PolarHBondContact O-N 2.85Å; E447-L449 PolarHBondContact O-N 3.3Å; E447-R450 WeakPolarHBondContact O-CB 3.12Å; E447-R450 PolarHBondContact O-N 2.87Å; E447-R450 VanDerWaalsContact O-N 3.08Å
448N65.2Low66.3Low24 Ų2452.1 Ų52.113%0.12827%0.271CS..G310 helixtrans-70.9-15.5176.6-65.6-29.6000112.9S429 F432 S445 F446 R450S429-N448 PolarHBondContact OG-OD1 3.34Å; F432-N448 HydrophobicContact CD1-CB 4.35Å; F432-N448 HydrophobicContact CE1-CB 3.87Å; S445-N448 PolarHBondContact N-ND2 3.23Å; S445-N448 WeakPolarHBondContact O-CB 3.35Å; S445-N448 PolarHBondContact O-N 3.14Å; S445-N448 PolarHBondContact OG-ND2 3.33Å; F446-N448 PolarHBondContact O-N 3.34Å; N448-R450 VanDerWaalsContact C-N 3.28Å
449L71.3Confident67.6Low29 Ų2949 Ų4915%0.15226%0.264CS..G310 helixtrans-84.2-5.2173.3-57.1175.5000112.3Y353 L354 F373 F446 E447Y353-L449 WeakPolarHBondContact CA-O 3.35Å; Y353-L449 HydrophobicContact CD1-CB 4.14Å; L354-L449 PolarHBondContact N-O 3.08Å; F373-L449 HydrophobicContact CB-CD1 4.44Å; F446-L449 HydrophobicContact CD2-CD1 4.36Å; F446-L449 WeakPolarHBondContact O-CB 3.41Å; F446-L449 PolarHBondContact O-N 2.9Å; E447-L449 PolarHBondContact O-N 3.3Å
450R81.6Confident69.1Low22 Ų2248.7 Ų48.78%0.08325%0.253CS..EExtended strand (participates in β ladder)trans-76.2140.7-174.6-167.7-176-77.4174-4.2111.9D349 H351 Y352 Y353 Y428 E447 N448 Y452D349-R450 IonicContact OD2-NH2 3.92Å; D349-R450 PolarHBondContact OD2-NH2 2.84Å; H351-R450 HydrophobicContact CB-CG 3.78Å; Y352-R450 CarbonylContact O-C 3.5Å; Y352-R450 WeakPolarHBondContact O-CA 3.43Å; Y353-R450 HydrophobicContact CD1-CB 4.06Å; Y353-R450 HydrophobicContact CE1-CB 3.62Å; Y353-R450 HydrophobicContact CE1-CG 4Å; Y353-R450 HydrophobicContact CE2-CG 4.42Å; Y353-R450 VanDerWaalsContact OH-CZ 3.31Å; Y353-R450 PolarHBondContact OH-NE 3.43Å; Y353-R450 PolarHBondContact OH-NH2 3.15Å; Y428-R450 PolarHBondContact N-O 3.04Å; E447-R450 WeakPolarHBondContact O-CB 3.12Å; E447-R450 PolarHBondContact O-N 2.87Å; E447-R450 VanDerWaalsContact O-N 3.08Å; N448-R450 VanDerWaalsContact C-N 3.28Å; R450-Y452 HydrophobicContact CB-CE2 4.14Å; R450-Y452 VanDerWaalsContact CD-CE2 3.5Å; R450-Y452 WeakPolarHBondContact CD-OH 3.2Å; R450-Y452 HydrophobicContact CG-CD2 4.39Å; R450-Y452 HydrophobicContact CG-CE2 3.81Å; R450-Y452 PolarHBondContact NH1-OH 2.91Å
451Y86Confident70.7Confident25 Ų2542.8 Ų42.810%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-109.4137.1170.4-79.4-114.8000110.5L343 Y352 L354 L425 V426 P427 V502L343-Y451 HydrophobicContact CD1-CD1 3.83Å; L343-Y451 HydrophobicContact CD1-CE1 3.99Å; L343-Y451 HydrophobicContact CD1-CG 4.13Å; L343-Y451 HydrophobicContact CD2-CD1 4.26Å; L343-Y451 HydrophobicContact CD2-CD2 3.65Å; L343-Y451 HydrophobicContact CD2-CE1 4.09Å; L343-Y451 HydrophobicContact CD2-CE2 3.49Å; L343-Y451 VanDerWaalsContact CD2-CE2 3.49Å; L343-Y451 HydrophobicContact CD2-CG 4.04Å; Y352-Y451 PolarHBondContact O-N 2.92Å; L354-Y451 HydrophobicContact CB-CE2 4.05Å; L425-Y451 HydrophobicContact CB-CD1 3.94Å; V426-Y451 CarbonylContact O-C 3.51Å; V426-Y451 VanDerWaalsContact O-CA 3.3Å; V426-Y451 WeakPolarHBondContact O-CA 3.31Å; P427-Y451 HydrophobicContact CB-CE1 4.42Å; P427-Y451 HydrophobicContact CB-CE2 4.38Å; Y451-V502 HydrophobicContact CE1-CG2 4.12Å
452Y83.1Confident72Confident20 Ų2046.6 Ų46.68%0.07823%0.234CC..EExtended strand (participates in β ladder)trans-106.3137.8-179.2-74.4-99.1000110.3L425 V426 Y428 R450L425-Y452 CarbonylContact C-O 3.53Å; L425-Y452 WeakPolarHBondContact CA-O 3.44Å; V426-Y452 PolarHBondContact N-O 2.95Å; V426-Y452 PolarHBondContact O-N 2.93Å; Y428-Y452 VanDerWaalsContact CB-CE2 3.48Å; Y428-Y452 AromaticContact CD2-CD2 3.77Å; Y428-Y452 HydrophobicContact CD2-CD2 3.77Å; Y428-Y452 HydrophobicContact CD2-CE1 4.29Å; Y428-Y452 AromaticContact CD2-CE2 2.96Å; Y428-Y452 HydrophobicContact CD2-CE2 2.96Å; Y428-Y452 AromaticContact CD2-CZ 3.25Å; Y428-Y452 VanDerWaalsContact CD2-OH 3.24Å; Y428-Y452 WeakPolarHBondContact CD2-OH 3.27Å; Y428-Y452 HydrophobicContact CE2-CE1 4.44Å; Y428-Y452 AromaticContact CE2-CE2 3.79Å; Y428-Y452 HydrophobicContact CE2-CE2 3.79Å; Y428-Y452 AromaticContact CE2-CZ 3.54Å; Y428-Y452 WeakPolarHBondContact CE2-OH 3.26Å; Y428-Y452 HydrophobicContact CG-CD2 4.25Å; Y428-Y452 AromaticContact CG-CE2 3.44Å; Y428-Y452 HydrophobicContact CG-CE2 3.44Å; Y428-Y452 VanDerWaalsContact CG-CE2 3.44Å; R450-Y452 HydrophobicContact CB-CE2 4.14Å; R450-Y452 VanDerWaalsContact CD-CE2 3.5Å; R450-Y452 WeakPolarHBondContact CD-OH 3.2Å; R450-Y452 HydrophobicContact CG-CD2 4.39Å; R450-Y452 HydrophobicContact CG-CE2 3.81Å; R450-Y452 PolarHBondContact NH1-OH 2.91Å
453A82.8Confident73.3Confident3 Ų343 Ų433%0.02522%0.217CC..EExtended strand (participates in β ladder)trans-69.8135.1170.400000109.8V424 L425 A485 Y509 I512V424-A453 CarbonylContact O-C 3.59Å; V424-A453 WeakPolarHBondContact O-CA 3.2Å; L425-A453 HydrophobicContact CD2-CB 4.43Å; A453-A485 HydrophobicContact CB-CB 4.21Å; A453-A485 WeakPolarHBondContact O-CB 3.38Å; A453-A485 PolarHBondContact O-N 3.49Å; A453-Y509 HydrophobicContact CB-CD2 3.8Å; A453-Y509 HydrophobicContact CB-CE2 3.91Å; A453-I512 HydrophobicContact CB-CB 4.37Å; A453-I512 HydrophobicContact CB-CD1 4.46Å; A453-I512 HydrophobicContact CB-CG2 3.84Å
454A82.9Confident73.8Confident0 Ų044.1 Ų44.10%023%0.231CC..EExtended strand (participates in β ladder)trans-150.2162.718000000111.6V424 V426 V482 E483 L484V424-A454 HydrophobicContact CG2-CB 4.08Å; V424-A454 PolarHBondContact N-O 3.03Å; V424-A454 PolarHBondContact O-N 2.9Å; V426-A454 HydrophobicContact CG2-CB 4.08Å; A454-V482 HydrophobicContact CB-CB 3.93Å; A454-V482 HydrophobicContact CB-CG2 3.9Å; A454-E483 CarbonylContact C-O 3.59Å; A454-E483 WeakPolarHBondContact CA-O 3.3Å; A454-E483 WeakPolarHBondContact CB-O 3.32Å; A454-L484 HydrophobicContact CB-CD2 3.94Å
455I81.7Confident73.8Confident53 Ų5349.4 Ų49.427%0.27226%0.257SS..EExtended strand (participates in β ladder)trans-111138.6170.8-64.9168.5000108.9D422 V457 V482 E483 Y509D422-I455 WeakPolarHBondContact O-CA 3.42Å; I455-V457 PolarHBondContact O-N 3.44Å; I455-V482 CarbonylContact O-C 3.52Å; I455-V482 WeakPolarHBondContact O-CA 3.31Å; I455-E483 PolarHBondContact N-O 3.31Å; I455-E483 PolarHBondContact O-N 3.01Å; I455-Y509 HydrophobicContact CD1-CE1 3.82Å; I455-Y509 VanDerWaalsContact CD1-OH 3.3Å; I455-Y509 WeakPolarHBondContact CD1-OH 3.16Å; I455-Y509 HydrophobicContact CG1-CE1 3.98Å; I455-Y509 HydrophobicContact CG1-CE2 3.94Å; I455-Y509 VanDerWaalsContact CG1-CZ 3.48Å; I455-Y509 WeakPolarHBondContact CG1-OH 3.12Å
456V82.6Confident73Confident1 Ų155.1 Ų55.11%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-76.6115.9176.1-176.70000109.8I418 E419 G421 D422 V424 L480 V482I418-V456 HydrophobicContact CG2-CB 4.49Å; I418-V456 HydrophobicContact CG2-CG2 3.55Å; E419-V456 WeakPolarHBondContact O-CB 3.36Å; G421-V456 PolarHBondContact N-O 3.03Å; D422-V456 HydrophobicContact CB-CG2 4.43Å; D422-V456 PolarHBondContact O-N 3.44Å; V424-V456 HydrophobicContact CG1-CG2 3.71Å; V424-V456 HydrophobicContact CG2-CG2 3.91Å; V456-L480 HydrophobicContact CG1-CD2 4.45Å; V456-V482 HydrophobicContact CG2-CG1 4.13Å
457V81.3Confident72Confident41 Ų4160.5 Ų60.525%0.24831%0.305CS..EExtended strand (participates in β ladder)trans-91.1-37-179.3179.30000111.3Q420 I455 L481 E483Q420-V457 VanDerWaalsContact CG-O 3.31Å; Q420-V457 WeakPolarHBondContact CG-O 3.47Å; Q420-V457 PolarHBondContact NE2-O 3.29Å; I455-V457 PolarHBondContact O-N 3.44Å; V457-L481 HydrophobicContact CG1-CD2 4.47Å; V457-L481 PolarHBondContact N-O 2.94Å; V457-E483 HydrophobicContact CG2-CB 3.64Å
458S79.8Confident70.4Confident48 Ų4860.7 Ų60.734%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-154.2154.4175.272.40000112.8L481S458-L481 PolarHBondContact N-O 3.33Å; S458-L481 PolarHBondContact O-N 3.4Å; S458-L481 WeakPolarHBondContact OG-CB 3.16Å
459G77.7Confident69.1Low36 Ų3669.4 Ų69.437%0.37135%0.35SS..  trans101.8159.2-175.600000112.5
460R78.5Confident67.3Low116 Ų11672.6 Ų72.644%0.43837%0.37SS..  trans-137.1141.4175.6-171.9179.4-174.4178.28.1109.4E419 R462 K498E419-R460 HydrophobicContact CG-CG 4.29Å; E419-R460 IonicContact OE1-CZ 3.07Å; E419-R460 IonicContact OE1-NE 2.88Å; E419-R460 PolarHBondContact OE1-NE 3.38Å; E419-R460 IonicContact OE1-NH2 2.63Å; E419-R460 PolarHBondContact OE1-NH2 3.49Å; R460-R462 VanDerWaalsContact CZ-NE 3.28Å; R460-R462 VanDerWaalsContact CZ-NH2 3.31Å; R460-R462 VanDerWaalsContact NH1-NH2 3.14Å; R460-K498 WeakPolarHBondContact O-CE 3.32Å; R460-K498 PolarHBondContact O-NZ 3.31Å
461E76.8Confident65.2Low9 Ų982.5 Ų82.54%0.04241%0.408CS..BIsolated β-bridgetrans-130.5101.5175.5-164.2-179166.200110S417 I418 R463 L480 K498 Q499S417-E461 CarbonylContact C-O 3.57Å; S417-E461 WeakPolarHBondContact CA-O 3.08Å; S417-E461 WeakPolarHBondContact CB-O 3.24Å; I418-E461 HydrophobicContact CB-CB 4.37Å; I418-E461 PolarHBondContact N-O 2.79Å; I418-E461 PolarHBondContact O-N 3.33Å; E461-R463 VanDerWaalsContact CD-NH2 3.31Å; E461-R463 HydrophobicContact CG-CG 3.97Å; E461-R463 IonicContact OE1-CZ 2.96Å; E461-R463 IonicContact OE1-NE 3.13Å; E461-R463 PolarHBondContact OE1-NE 3.38Å; E461-R463 IonicContact OE1-NH2 2.77Å; E461-R463 PolarHBondContact OE1-NH2 2.91Å; E461-R463 IonicContact OE2-CZ 3.1Å; E461-R463 IonicContact OE2-NE 2.96Å; E461-R463 PolarHBondContact OE2-NE 3Å; E461-R463 IonicContact OE2-NH2 3.64Å; E461-R463 PolarHBondContact OE2-NH2 3.47Å; E461-L480 HydrophobicContact CB-CD2 4.33Å; E461-K498 HydrophobicContact CB-CG 4.37Å; E461-K498 HydrophobicContact CG-CB 4.16Å; E461-K498 HydrophobicContact CG-CD 4.1Å; E461-K498 HydrophobicContact CG-CG 3.95Å; E461-K498 WeakPolarHBondContact OE2-CA 3.19Å; E461-Q499 VanDerWaalsContact OE1-CA 3.28Å; E461-Q499 WeakPolarHBondContact OE1-CA 3.45Å; E461-Q499 WeakPolarHBondContact OE1-CG 3.34Å; E461-Q499 PolarHBondContact OE1-N 3.4Å; E461-Q499 PolarHBondContact OE2-N 3.29Å
462R73.4Confident62.7Low189 Ų18988.8 Ų88.871%0.71344%0.443SS*.  trans-82.8117.8169-73.2-175.5175.2174.4-3.3108.7R460R460-R462 VanDerWaalsContact CZ-NE 3.28Å; R460-R462 VanDerWaalsContact CZ-NH2 3.31Å; R460-R462 VanDerWaalsContact NH1-NH2 3.14Å
463R71.5Confident60.5Low34 Ų3494.6 Ų94.613%0.12847%0.469CS..  trans-109.6132.7174-58.5-175-174.7156.27107.2I414 R415 H416 E461 Q499 A501I414-R463 WeakPolarHBondContact O-CD 3.37Å; I414-R463 PolarHBondContact O-NE 2.73Å; I414-R463 PolarHBondContact O-NH1 3.3Å; R415-R463 WeakPolarHBondContact O-CB 3.12Å; H416-R463 WeakPolarHBondContact O-CD 3.47Å; E461-R463 VanDerWaalsContact CD-NH2 3.31Å; E461-R463 HydrophobicContact CG-CG 3.97Å; E461-R463 IonicContact OE1-CZ 2.96Å; E461-R463 IonicContact OE1-NE 3.13Å; E461-R463 PolarHBondContact OE1-NE 3.38Å; E461-R463 IonicContact OE1-NH2 2.77Å; E461-R463 PolarHBondContact OE1-NH2 2.91Å; E461-R463 IonicContact OE2-CZ 3.1Å; E461-R463 IonicContact OE2-NE 2.96Å; E461-R463 PolarHBondContact OE2-NE 3Å; E461-R463 IonicContact OE2-NH2 3.64Å; E461-R463 PolarHBondContact OE2-NH2 3.47Å; R463-Q499 VanDerWaalsContact NH2-CA 3.34Å; R463-A501 PolarHBondContact NH1-O 2.97Å; R463-A501 PolarHBondContact NH2-O 2.77Å
464A55.9Low58.2Low75 Ų7599.9 Ų99.962%0.6250%0.501SS*.  trans-114.3148.1178.900000108.8K466A464-K466 CarbonylContact O-C 3.47Å; A464-K466 PolarHBondContact O-N 3.43Å
465D51.7Low56.3Low137 Ų137108.8 Ų108.873%0.73354%0.54SS*.SBendtrans-53.5-25.6-178.4-78.1-36.9000113.9L467D465-L467 PolarHBondContact O-N 3.38Å
466K42.7Very low54.4Low169 Ų169113.4 Ų113.474%0.73557%0.565SS**  trans-9398.7173.5-64.9-178-178.2178.80108.4A464 T468A464-K466 CarbonylContact O-C 3.47Å; A464-K466 PolarHBondContact O-N 3.43Å; K466-T468 HydrophobicContact CB-CG2 4.38Å; K466-T468 PolarHBondContact O-N 2.9Å; K466-T468 PolarHBondContact O-OG1 3.19Å
467L40.8Very low52.8Low150 Ų150119.8 Ų119.879%0.78560%0.599SS**  trans-60.655.8153.2-95.3150.2000109.6D465 K469D465-L467 PolarHBondContact O-N 3.38Å; L467-K469 PolarHBondContact O-N 2.99Å; L467-K469 VanDerWaalsContact O-N 3.1Å
468T32Very low52Low94 Ų94121 Ų12158%0.57760%0.602SS**  trans-59.7117.3160.333.50000105.4K466 T470K466-T468 HydrophobicContact CB-CG2 4.38Å; K466-T468 PolarHBondContact O-N 2.9Å; K466-T468 PolarHBondContact O-OG1 3.19Å; T468-T470 PolarHBondContact O-N 2.61Å; T468-T470 PolarHBondContact O-OG1 3.31Å; T468-T470 VanDerWaalsContact O-OG1 3.14Å
469K37.2Very low51.9Low207 Ų207124.4 Ų124.490%0.961%0.611SS**  trans-61.569.3173-68176.8177.5175.30109.4L467 R471L467-K469 PolarHBondContact O-N 2.99Å; L467-K469 VanDerWaalsContact O-N 3.1Å; K469-R471 PolarHBondContact O-N 2.66Å
470T34.1Very low52Low96 Ų96122.7 Ų122.759%0.58959%0.593SS**  trans-79.8108.1174.923.90000108T468T468-T470 PolarHBondContact O-N 2.61Å; T468-T470 PolarHBondContact O-OG1 3.31Å; T468-T470 VanDerWaalsContact O-OG1 3.14Å
471R36.2Very low52.2Low229 Ų229118.3 Ų118.386%0.86458%0.578SS**  trans-50.2146.8171.5-69.1170.7169.6169.5-4.8110.8K469K469-R471 PolarHBondContact O-N 2.66Å
472N34.7Very low52.4Low157 Ų157117.9 Ų117.984%0.8458%0.576SS**  trans73.464.1160.2-53.8-11.8000116.8
473F35.9Very low52.5Low143 Ų143113 Ų11363%0.62756%0.561SS**  trans-81.7123.3149-69.9-82.3000108.4Q478F473-Q478 HydrophobicContact CB-CG 4.26Å; F473-Q478 PolarHBondContact O-NE2 2.96Å
474T35.8Very low52.5Low114 Ų114112.3 Ų112.370%0.69956%0.56SS**  trans-60.8141.2173.3380000110.2D476 Q478T474-D476 VanDerWaalsContact C-N 3.31Å; T474-D476 PolarHBondContact O-N 2.85Å; T474-Q478 PolarHBondContact O-NE2 3.43Å
475K43.2Very low53Low186 Ų186109.6 Ų109.681%0.80954%0.538SS*.THydrogen-bonded Turntrans-65.8-20.2-161.8-91179.4173.9176.60116
476D40.8Very low53Low151 Ų151104.1 Ų104.181%0.80751%0.511SS*.THydrogen-bonded Turntrans-98.7-17.9-164-70-34.5000116T474T474-D476 VanDerWaalsContact C-N 3.31Å; T474-D476 PolarHBondContact O-N 2.85Å
477D49.7Very low53Low135 Ų13598.5 Ų98.572%0.72249%0.492SS*.SBendtrans-102.820.4-178.8-70.3-30.8000114.7
478Q63.4Low52.9Low66 Ų6695 Ų9531%0.30847%0.474SS..  trans-100.725.7-169.3-66.4-175.534.600115.5F473 T474 K498F473-Q478 HydrophobicContact CB-CG 4.26Å; F473-Q478 PolarHBondContact O-NE2 2.96Å; T474-Q478 PolarHBondContact O-NE2 3.43Å; Q478-K498 WeakPolarHBondContact O-CG 3.47Å; Q478-K498 PolarHBondContact O-N 3.23Å
479K78Confident53Low119 Ų11997.4 Ų97.452%0.51749%0.489SS..EExtended strand (participates in β ladder)trans-123.2137.8-178.1-56.1-176.3-168.4171.50111.7Y495 V496K479-Y495 HydrophobicContact CB-CD1 3.85Å; K479-Y495 HydrophobicContact CB-CG 4.36Å; K479-Y495 HydrophobicContact CD-CG 4.38Å; K479-V496 CarbonylContact C-O 3.56Å; K479-V496 VanDerWaalsContact CA-O 3.28Å; K479-V496 WeakPolarHBondContact CA-O 3.49Å
480L79.7Confident53.1Low0 Ų095.3 Ų95.30%048%0.476CS..EExtended strand (participates in β ladder)trans-85.9133.7165.7-63.3172.3000107.7I418 V456 E461 V482 Y495 V496 A501I418-L480 HydrophobicContact CB-CD1 4.48Å; I418-L480 HydrophobicContact CD1-CD1 4.35Å; I418-L480 HydrophobicContact CG2-CD1 4.07Å; V456-L480 HydrophobicContact CG1-CD2 4.45Å; E461-L480 HydrophobicContact CB-CD2 4.33Å; L480-V482 HydrophobicContact CB-CG1 4.22Å; L480-Y495 CarbonylContact O-C 3.52Å; L480-Y495 WeakPolarHBondContact O-CA 3.48Å; L480-V496 PolarHBondContact N-O 3.18Å; L480-V496 PolarHBondContact O-N 3.45Å; L480-A501 HydrophobicContact CD1-CB 3.87Å
481L81.8Confident53.4Low24 Ų2495.7 Ų95.713%0.12648%0.477CS..EExtended strand (participates in β ladder)trans-88.8121.3167.5-170.765.5000107.7V457 S458 H493 Y495V457-L481 HydrophobicContact CG1-CD2 4.47Å; V457-L481 PolarHBondContact N-O 2.94Å; S458-L481 PolarHBondContact N-O 3.33Å; S458-L481 PolarHBondContact O-N 3.4Å; S458-L481 WeakPolarHBondContact OG-CB 3.16Å; L481-H493 HydrophobicContact CD1-CB 3.67Å; L481-H493 HydrophobicContact CD2-CB 4.27Å; L481-H493 HydrophobicContact CG-CB 3.98Å; L481-Y495 HydrophobicContact CB-CD1 4.28Å; L481-Y495 HydrophobicContact CB-CE1 4.09Å; L481-Y495 HydrophobicContact CD1-CD1 3.87Å; L481-Y495 HydrophobicContact CD1-CD2 4.04Å; L481-Y495 HydrophobicContact CD1-CE1 3.72Å; L481-Y495 HydrophobicContact CD1-CE2 3.89Å; L481-Y495 HydrophobicContact CD1-CG 4.03Å; L481-Y495 HydrophobicContact CG-CE1 4.4Å
482V81.3Confident54Low0 Ų086 Ų860%045%0.449CS..EExtended strand (participates in β ladder)trans-124.2144.4179.7-50.60000110.7V424 V426 A454 I455 V456 L480 H493 I494 V496V424-V482 HydrophobicContact CG2-CG1 4.17Å; V426-V482 HydrophobicContact CG1-CG1 4.47Å; V426-V482 HydrophobicContact CG1-CG2 4.17Å; V426-V482 HydrophobicContact CG2-CG2 4.26Å; A454-V482 HydrophobicContact CB-CB 3.93Å; A454-V482 HydrophobicContact CB-CG2 3.9Å; I455-V482 CarbonylContact O-C 3.52Å; I455-V482 WeakPolarHBondContact O-CA 3.31Å; V456-V482 HydrophobicContact CG2-CG1 4.13Å; L480-V482 HydrophobicContact CB-CG1 4.22Å; V482-H493 CarbonylContact O-C 3.47Å; V482-H493 VanDerWaalsContact O-CA 3.3Å; V482-H493 WeakPolarHBondContact O-CA 3.13Å; V482-I494 HydrophobicContact CG2-CD1 4.02Å; V482-I494 HydrophobicContact CG2-CG1 3.43Å; V482-I494 VanDerWaalsContact CG2-CG1 3.43Å; V482-I494 PolarHBondContact N-O 2.74Å; V482-I494 PolarHBondContact O-N 3.43Å; V482-V496 HydrophobicContact CG1-CG2 4.4Å; V482-V496 HydrophobicContact CG2-CG2 3.61Å
483E76.9Confident55.6Low86 Ų8683.5 Ų83.540%0.40243%0.432SS..EExtended strand (participates in β ladder)trans-97.4117.3173-178.3178.1-173.800109.1A454 I455 V457A454-E483 CarbonylContact C-O 3.59Å; A454-E483 WeakPolarHBondContact CA-O 3.3Å; A454-E483 WeakPolarHBondContact CB-O 3.32Å; I455-E483 PolarHBondContact N-O 3.31Å; I455-E483 PolarHBondContact O-N 3.01Å; V457-E483 HydrophobicContact CG2-CB 3.64Å
484L71.6Confident57.2Low20 Ų2079.3 Ų79.311%0.10542%0.416CS..EExtended strand (participates in β ladder)trans-72.9137.2-179.8-65.2-178.6000111.4V426 A454 S486 G492 I494V426-L484 HydrophobicContact CG2-CD2 3.55Å; A454-L484 HydrophobicContact CB-CD2 3.94Å; L484-S486 PolarHBondContact O-N 3.27Å; L484-G492 PolarHBondContact N-O 3.25Å; L484-I494 HydrophobicContact CD1-CD1 4.03Å; L484-I494 HydrophobicContact CD1-CG1 4.43Å; L484-I494 HydrophobicContact CD1-CG2 4.18Å; L484-I494 HydrophobicContact CD2-CD1 3.65Å; L484-I494 HydrophobicContact CD2-CG1 4.11Å; L484-I494 HydrophobicContact CG-CD1 3.95Å; L484-I494 HydrophobicContact CG-CG1 4.07Å; L484-I494 HydrophobicContact CG-CG2 4.46Å
485A64.9Low59.2Low19 Ų1981.3 Ų81.316%0.15741%0.411CS..  trans-80.211.8179.200000115A453 Y509 I513A453-A485 HydrophobicContact CB-CB 4.21Å; A453-A485 WeakPolarHBondContact O-CB 3.38Å; A453-A485 PolarHBondContact O-N 3.49Å; A485-Y509 HydrophobicContact CB-CE2 3.96Å; A485-Y509 WeakPolarHBondContact CB-OH 3.29Å; A485-I513 HydrophobicContact CB-CD1 3.67Å; A485-I513 HydrophobicContact CB-CG1 3.68Å
486S53.3Low60.9Low22 Ų2272.7 Ų72.715%0.15438%0.375CS..  trans-81.9137.5-169.9-172.70000112.8L484 N488 V491L484-S486 PolarHBondContact O-N 3.27Å; S486-N488 PolarHBondContact OG-N 3.22Å; S486-V491 VanDerWaalsContact O-CG2 3.29Å; S486-V491 WeakPolarHBondContact O-CG2 3.39Å
487S42.6Very low62.7Low50 Ų5067.5 Ų67.535%0.3535%0.349SS..SBendtrans-75.9-17.6173.245.20000114.8Y517S487-Y517 WeakPolarHBondContact CB-OH 3.31Å; S487-Y517 WeakPolarHBondContact OG-CE1 3.45Å
488N37.5Very low63.8Low77 Ų7764.4 Ų64.441%0.41233%0.329SS..SBendtrans-112104.9-166.7-72.8-13.9000111.5S486 R490S486-N488 PolarHBondContact OG-N 3.22Å; N488-R490 VanDerWaalsContact C-N 3.26Å; N488-R490 PolarHBondContact O-N 3.34Å
489T35.3Very low64.5Low144 Ų14466.7 Ų66.788%0.88334%0.34SS*.SBendtrans61.4-16.216164.90000120.4
490R37.6Very low64.7Low164 Ų16465.9 Ų65.962%0.61934%0.336SS*.  trans-120.640.9171.6-68.5-169.6-179.9-175.31.7112.6N488 G492N488-R490 VanDerWaalsContact C-N 3.26Å; N488-R490 PolarHBondContact O-N 3.34Å; R490-G492 PolarHBondContact O-N 3.12Å
491V40.6Very low64.9Low103 Ų10365.9 Ų65.962%0.62434%0.336SS*.  trans-60.2117.3164.2-173.20000106.6S486S486-V491 VanDerWaalsContact O-CG2 3.29Å; S486-V491 WeakPolarHBondContact O-CG2 3.39Å
492G50.3Low65Low26 Ų2664.8 Ų64.827%0.26833%0.33SS..SBendtrans162.9168.7-177.900000113.7L484 R490L484-G492 PolarHBondContact N-O 3.25Å; R490-G492 PolarHBondContact O-N 3.12Å
493H66.6Low65Low104 Ų10467.8 Ų67.848%0.48134%0.342SS..EExtended strand (participates in β ladder)trans-80.5126.1176.3-63.380.7000109.6L481 V482L481-H493 HydrophobicContact CD1-CB 3.67Å; L481-H493 HydrophobicContact CD2-CB 4.27Å; L481-H493 HydrophobicContact CG-CB 3.98Å; V482-H493 CarbonylContact O-C 3.47Å; V482-H493 VanDerWaalsContact O-CA 3.3Å; V482-H493 WeakPolarHBondContact O-CA 3.13Å
494I70Confident64.9Low55 Ų5564 Ų6428%0.28232%0.324SS..EExtended strand (participates in β ladder)trans-118.2145.1173.965.5162.5000110.3V426 V482 L484 V496V426-I494 HydrophobicContact CG2-CD1 4.16Å; V482-I494 HydrophobicContact CG2-CD1 4.02Å; V482-I494 HydrophobicContact CG2-CG1 3.43Å; V482-I494 VanDerWaalsContact CG2-CG1 3.43Å; V482-I494 PolarHBondContact N-O 2.74Å; V482-I494 PolarHBondContact O-N 3.43Å; L484-I494 HydrophobicContact CD1-CD1 4.03Å; L484-I494 HydrophobicContact CD1-CG1 4.43Å; L484-I494 HydrophobicContact CD1-CG2 4.18Å; L484-I494 HydrophobicContact CD2-CD1 3.65Å; L484-I494 HydrophobicContact CD2-CG1 4.11Å; L484-I494 HydrophobicContact CG-CD1 3.95Å; L484-I494 HydrophobicContact CG-CG1 4.07Å; L484-I494 HydrophobicContact CG-CG2 4.46Å; I494-V496 HydrophobicContact CD1-CG2 3.83Å; I494-V496 HydrophobicContact CG1-CG2 4.04Å
495Y78.5Confident64.6Low156 Ų15663.8 Ų63.861%0.61232%0.324SS*.EExtended strand (participates in β ladder)trans-87.8120.8171.8-74.7-76.6000110.4K479 L480 L481K479-Y495 HydrophobicContact CB-CD1 3.85Å; K479-Y495 HydrophobicContact CB-CG 4.36Å; K479-Y495 HydrophobicContact CD-CG 4.38Å; L480-Y495 CarbonylContact O-C 3.52Å; L480-Y495 WeakPolarHBondContact O-CA 3.48Å; L481-Y495 HydrophobicContact CB-CD1 4.28Å; L481-Y495 HydrophobicContact CB-CE1 4.09Å; L481-Y495 HydrophobicContact CD1-CD1 3.87Å; L481-Y495 HydrophobicContact CD1-CD2 4.04Å; L481-Y495 HydrophobicContact CD1-CE1 3.72Å; L481-Y495 HydrophobicContact CD1-CE2 3.89Å; L481-Y495 HydrophobicContact CD1-CG 4.03Å; L481-Y495 HydrophobicContact CG-CE1 4.4Å
496V78.6Confident64.6Low6 Ų666.2 Ų66.24%0.03634%0.338CS..EExtended strand (participates in β ladder)trans-109.7128178.6178.90000108.9V426 K479 L480 V482 I494 K500 A501V426-V496 HydrophobicContact CB-CG1 4.43Å; V426-V496 HydrophobicContact CB-CG2 4Å; V426-V496 HydrophobicContact CG1-CG1 4.19Å; V426-V496 HydrophobicContact CG1-CG2 3.95Å; V426-V496 HydrophobicContact CG2-CG2 4.45Å; K479-V496 CarbonylContact C-O 3.56Å; K479-V496 VanDerWaalsContact CA-O 3.28Å; K479-V496 WeakPolarHBondContact CA-O 3.49Å; L480-V496 PolarHBondContact N-O 3.18Å; L480-V496 PolarHBondContact O-N 3.45Å; V482-V496 HydrophobicContact CG1-CG2 4.4Å; V482-V496 HydrophobicContact CG2-CG2 3.61Å; I494-V496 HydrophobicContact CD1-CG2 3.83Å; I494-V496 HydrophobicContact CG1-CG2 4.04Å; V496-K500 HydrophobicContact CG1-CB 4.04Å; V496-A501 HydrophobicContact CG1-CB 4.31Å
497P78.2Confident64.8Low41 Ų4167 Ų6727%0.26634%0.341SS..EExtended strand (participates in β ladder)trans-56.8144.3174.5-23.233.1000112W430 K500W430-P497 HydrophobicContact CE3-CG 4.4Å; P497-K500 HydrophobicContact CB-CG 4.17Å; P497-K500 WeakPolarHBondContact O-CB 3.49Å; P497-K500 PolarHBondContact O-N 2.92Å
498K74Confident66Low71 Ų7165 Ų6531%0.30933%0.326SS..THydrogen-bonded Turntrans-52.7149.8169.3-75-179.2-174.6-175.80110.3R460 E461 Q478 K500R460-K498 WeakPolarHBondContact O-CE 3.32Å; R460-K498 PolarHBondContact O-NZ 3.31Å; E461-K498 HydrophobicContact CB-CG 4.37Å; E461-K498 HydrophobicContact CG-CB 4.16Å; E461-K498 HydrophobicContact CG-CD 4.1Å; E461-K498 HydrophobicContact CG-CG 3.95Å; E461-K498 WeakPolarHBondContact OE2-CA 3.19Å; Q478-K498 WeakPolarHBondContact O-CG 3.47Å; Q478-K498 PolarHBondContact O-N 3.23Å; K498-K500 PolarHBondContact O-N 3.08Å
499Q76.8Confident67.5Low113 Ų11362.7 Ų62.753%0.52831%0.312SS..THydrogen-bonded Turntrans70.63.1-177.1-53.1176-2.300115.4E461 R463E461-Q499 VanDerWaalsContact OE1-CA 3.28Å; E461-Q499 WeakPolarHBondContact OE1-CA 3.45Å; E461-Q499 WeakPolarHBondContact OE1-CG 3.34Å; E461-Q499 PolarHBondContact OE1-N 3.4Å; E461-Q499 PolarHBondContact OE2-N 3.29Å; R463-Q499 VanDerWaalsContact NH2-CA 3.34Å
500K82.3Confident68.7Low103 Ų10360.5 Ų60.545%0.44829%0.292SS..THydrogen-bonded Turntrans-102.6-32.7176.9-64.4-62.7-171.61790113.9V496 P497 K498V496-K500 HydrophobicContact CG1-CB 4.04Å; P497-K500 HydrophobicContact CB-CG 4.17Å; P497-K500 WeakPolarHBondContact O-CB 3.49Å; P497-K500 PolarHBondContact O-N 2.92Å; K498-K500 PolarHBondContact O-N 3.08Å
501A85Confident69.8Low0 Ų052.9 Ų52.90%026%0.263CS..  trans-69.7135.9173.600000109.9I418 V424 V426 R463 L480 V496I418-A501 HydrophobicContact CD1-CB 3.67Å; I418-A501 VanDerWaalsContact CD1-O 3.32Å; I418-A501 WeakPolarHBondContact CD1-O 3.3Å; V424-A501 HydrophobicContact CB-CB 4.27Å; V424-A501 HydrophobicContact CG1-CB 4.35Å; V424-A501 HydrophobicContact CG2-CB 4.48Å; V426-A501 HydrophobicContact CG1-CB 4.02Å; R463-A501 PolarHBondContact NH1-O 2.97Å; R463-A501 PolarHBondContact NH2-O 2.77Å; L480-A501 HydrophobicContact CD1-CB 3.87Å; V496-A501 HydrophobicContact CG1-CB 4.31Å
502V83.2Confident71.1Confident0 Ų048 Ų480%023%0.234CC..EExtended strand (participates in β ladder)trans-111.1119.2179.2179.60000107.6L343 I408 L410 A413 I414 V424 L425 Y451L343-V502 HydrophobicContact CD1-CB 4.26Å; L343-V502 HydrophobicContact CD1-CG1 4.2Å; L343-V502 HydrophobicContact CD1-CG2 4.11Å; I408-V502 HydrophobicContact CG2-CG1 4.42Å; L410-V502 HydrophobicContact CD1-CG2 3.64Å; A413-V502 HydrophobicContact CB-CG1 3.38Å; I414-V502 HydrophobicContact CG1-CG2 4.19Å; V424-V502 CarbonylContact C-O 3.44Å; V424-V502 WeakPolarHBondContact CA-O 3.37Å; V424-V502 WeakPolarHBondContact CB-O 3.48Å; L425-V502 HydrophobicContact CB-CB 4.3Å; L425-V502 PolarHBondContact N-O 2.94Å; L425-V502 PolarHBondContact O-N 2.86Å; Y451-V502 HydrophobicContact CE1-CG2 4.12Å
503W82.1Confident71.7Confident64 Ų6448.5 Ų48.524%0.24223%0.23CC..EExtended strand (participates in β ladder)trans-63.4138.3177.6-179.492.4000110.3H416 I418H416-W503 HydrophobicContact CB-CB 3.87Å; H416-W503 HydrophobicContact CB-CG 4.34Å; I418-W503 HydrophobicContact CG1-CB 4.27Å
504I73.5Confident71.3Confident6 Ų645.8 Ų45.83%0.03122%0.219CC..  trans-133.5153.417257.3163.4000109.8I408 C423 L425 T508 Y509 I512I408-I504 HydrophobicContact CD1-CG2 3.84Å; C423-I504 HydrophobicContact CB-CG1 4.06Å; C423-I504 WeakPolarHBondContact O-CG1 3.4Å; C423-I504 PolarHBondContact O-N 2.86Å; C423-I504 VanDerWaalsContact O-O 3.07Å; L425-I504 HydrophobicContact CB-CG2 4.48Å; L425-I504 HydrophobicContact CD1-CG2 3.74Å; L425-I504 HydrophobicContact CD2-CD1 4.31Å; L425-I504 HydrophobicContact CG-CD1 4.04Å; L425-I504 HydrophobicContact CG-CG1 4.49Å; L425-I504 HydrophobicContact CG-CG2 3.76Å; I504-T508 HydrophobicContact CB-CG2 4.32Å; I504-T508 HydrophobicContact CD1-CG2 4.25Å; I504-Y509 HydrophobicContact CD1-CD2 4.37Å; I504-I512 HydrophobicContact CD1-CD1 3.84Å
505S66Low70.8Confident15 Ų1543.4 Ų43.411%0.10521%0.206CC..  trans-65.5149.2176.371.30000111.1N507 T508 Y509S505-N507 PolarHBondContact O-N 2.75Å; S505-N507 VanDerWaalsContact O-N 3.16Å; S505-T508 WeakPolarHBondContact O-CB 3.36Å; S505-T508 PolarHBondContact O-N 2.85Å; S505-T508 PolarHBondContact OG-N 3.41Å; S505-T508 PolarHBondContact OG-OG1 2.89Å; S505-Y509 PolarHBondContact O-N 2.78Å
506P65.3Low69.9Low70 Ų7037.6 Ų37.646%0.45519%0.185SC..Hα-helixtrans-53.9-34.3175.3-28.335.5000113.5Y509 Q510P506-Y509 WeakPolarHBondContact O-CB 3.43Å; P506-Y509 PolarHBondContact O-N 2.85Å; P506-Q510 WeakPolarHBondContact O-CG 3.47Å; P506-Q510 PolarHBondContact O-N 3.18Å
507N57.9Low68.7Low40 Ų4042.8 Ų42.821%0.21420%0.204CC..Hα-helixtrans-65.9-42.7176.4-69-9.9000111.9D314 S505 Y509 Q510 R511D314-N507 VanDerWaalsContact CB-ND2 3.26Å; D314-N507 WeakPolarHBondContact CB-ND2 3.42Å; S505-N507 PolarHBondContact O-N 2.75Å; S505-N507 VanDerWaalsContact O-N 3.16Å; N507-Y509 VanDerWaalsContact C-N 3.28Å; N507-Y509 PolarHBondContact O-N 2.89Å; N507-Q510 PolarHBondContact O-N 2.99Å; N507-R511 VanDerWaalsContact O-CB 3.25Å; N507-R511 WeakPolarHBondContact O-CB 3.38Å; N507-R511 PolarHBondContact O-N 2.76Å
508T66.6Low67.5Low6 Ų642.5 Ų42.54%0.03720%0.2CC..Hα-helixtrans-60-44.2174.3-520000109.8E315 I504 S505 R511 I512E315-T508 WeakPolarHBondContact OE1-CA 3.26Å; E315-T508 WeakPolarHBondContact OE1-CB 3.48Å; E315-T508 PolarHBondContact OE1-OG1 2.69Å; I504-T508 HydrophobicContact CB-CG2 4.32Å; I504-T508 HydrophobicContact CD1-CG2 4.25Å; S505-T508 WeakPolarHBondContact O-CB 3.36Å; S505-T508 PolarHBondContact O-N 2.85Å; S505-T508 PolarHBondContact OG-N 3.41Å; S505-T508 PolarHBondContact OG-OG1 2.89Å; T508-R511 PolarHBondContact O-N 2.92Å; T508-I512 HydrophobicContact CG2-CD1 3.88Å; T508-I512 HydrophobicContact CG2-CG1 4.45Å; T508-I512 WeakPolarHBondContact O-CD1 3.09Å; T508-I512 WeakPolarHBondContact O-CG1 3.21Å; T508-I512 PolarHBondContact O-N 3.25Å
509Y68.5Low66.3Low30 Ų3040.1 Ų40.112%0.11819%0.191CC..Hα-helixtrans-61-51.6178.9174.7-96000112.6C423 A453 I455 A485 I504 S505 P506 N507 R511 I512 I513C423-Y509 HydrophobicContact CB-CD2 3.98Å; C423-Y509 HydrophobicContact CB-CG 3.83Å; A453-Y509 HydrophobicContact CB-CD2 3.8Å; A453-Y509 HydrophobicContact CB-CE2 3.91Å; I455-Y509 HydrophobicContact CD1-CE1 3.82Å; I455-Y509 VanDerWaalsContact CD1-OH 3.3Å; I455-Y509 WeakPolarHBondContact CD1-OH 3.16Å; I455-Y509 HydrophobicContact CG1-CE1 3.98Å; I455-Y509 HydrophobicContact CG1-CE2 3.94Å; I455-Y509 VanDerWaalsContact CG1-CZ 3.48Å; I455-Y509 WeakPolarHBondContact CG1-OH 3.12Å; A485-Y509 HydrophobicContact CB-CE2 3.96Å; A485-Y509 WeakPolarHBondContact CB-OH 3.29Å; I504-Y509 HydrophobicContact CD1-CD2 4.37Å; S505-Y509 PolarHBondContact O-N 2.78Å; P506-Y509 WeakPolarHBondContact O-CB 3.43Å; P506-Y509 PolarHBondContact O-N 2.85Å; N507-Y509 VanDerWaalsContact C-N 3.28Å; N507-Y509 PolarHBondContact O-N 2.89Å; Y509-R511 VanDerWaalsContact C-N 3.3Å; Y509-R511 PolarHBondContact O-N 3.2Å; Y509-I512 PolarHBondContact O-N 3.16Å; Y509-I513 HydrophobicContact CD1-CD1 3.72Å; Y509-I513 HydrophobicContact CD2-CD1 4.38Å; Y509-I513 HydrophobicContact CE1-CD1 3.17Å; Y509-I513 HydrophobicContact CE1-CG1 4.43Å; Y509-I513 HydrophobicContact CE2-CD1 3.89Å; Y509-I513 HydrophobicContact CG-CD1 4.29Å; Y509-I513 WeakPolarHBondContact O-CG1 3.18Å; Y509-I513 PolarHBondContact O-N 2.95Å; Y509-I513 WeakPolarHBondContact OH-CD1 3.42Å
510Q60.9Low65.4Low97 Ų9737.7 Ų37.745%0.45319%0.185SC..Hα-helixtrans-58.1-45.2176.8-73179.3-1.800111.1P506 N507 I512 I513 L514P506-Q510 WeakPolarHBondContact O-CG 3.47Å; P506-Q510 PolarHBondContact O-N 3.18Å; N507-Q510 PolarHBondContact O-N 2.99Å; Q510-I512 VanDerWaalsContact C-N 3.35Å; Q510-I512 PolarHBondContact O-N 2.92Å; Q510-I513 PolarHBondContact O-N 3.34Å; Q510-L514 VanDerWaalsContact O-CG 3.28Å; Q510-L514 WeakPolarHBondContact O-CG 3.46Å; Q510-L514 PolarHBondContact O-N 2.86Å
511R62Low63.9Low4 Ų437.5 Ų37.52%0.01519%0.185CC..Hα-helixtrans-61.1-41.5177.8-175.4177.2174-144.4-11.8112.5E315 R345 E406 N507 T508 Y509 E515 F531E315-R511 VanDerWaalsContact OE2-CD 3.3Å; E315-R511 WeakPolarHBondContact OE2-CD 2.75Å; E315-R511 IonicContact OE2-CZ 3.4Å; E315-R511 IonicContact OE2-NE 3.95Å; E315-R511 IonicContact OE2-NH1 3.82Å; E315-R511 PolarHBondContact OE2-NH1 3.2Å; R345-R511 PolarHBondContact NH2-O 3.46Å; E406-R511 IonicContact OE1-CZ 3.94Å; E406-R511 VanDerWaalsContact OE1-CZ 3.27Å; E406-R511 IonicContact OE1-NH1 3.85Å; E406-R511 PolarHBondContact OE1-NH1 3.42Å; E406-R511 IonicContact OE1-NH2 3.27Å; E406-R511 PolarHBondContact OE1-NH2 2.97Å; E406-R511 IonicContact OE2-NH1 3.81Å; E406-R511 IonicContact OE2-NH2 3Å; N507-R511 VanDerWaalsContact O-CB 3.25Å; N507-R511 WeakPolarHBondContact O-CB 3.38Å; N507-R511 PolarHBondContact O-N 2.76Å; T508-R511 PolarHBondContact O-N 2.92Å; Y509-R511 VanDerWaalsContact C-N 3.3Å; Y509-R511 PolarHBondContact O-N 3.2Å; R511-E515 HydrophobicContact CG-CG 4.49Å; R511-E515 VanDerWaalsContact CG-OE1 3.23Å; R511-E515 WeakPolarHBondContact CG-OE1 3.49Å; R511-E515 IonicContact CZ-OE1 3.85Å; R511-E515 IonicContact NE-OE1 3.84Å; R511-E515 PolarHBondContact NE-OE1 3.28Å; R511-E515 IonicContact NH2-OE1 2.86Å; R511-E515 PolarHBondContact NH2-OE1 2.95Å; R511-E515 VanDerWaalsContact O-CB 3.3Å; R511-E515 WeakPolarHBondContact O-CB 3.32Å; R511-E515 WeakPolarHBondContact O-CG 3.22Å; R511-E515 PolarHBondContact O-N 3.43Å; R511-F531 VanDerWaalsContact NH1-CZ 3.3Å
512I65.9Low62.2Low2 Ų240.3 Ų40.31%0.0120%0.204CC..Hα-helixtrans-60-51.6175.6-68.9159.9000110.7Y352 L425 A453 I504 T508 Y509 Q510 L514 E515 Q516Y352-I512 HydrophobicContact CD2-CD1 3.85Å; Y352-I512 HydrophobicContact CD2-CG1 4.21Å; Y352-I512 HydrophobicContact CE2-CD1 3.54Å; Y352-I512 HydrophobicContact CE2-CG1 3.75Å; L425-I512 HydrophobicContact CD2-CD1 4Å; A453-I512 HydrophobicContact CB-CB 4.37Å; A453-I512 HydrophobicContact CB-CD1 4.46Å; A453-I512 HydrophobicContact CB-CG2 3.84Å; I504-I512 HydrophobicContact CD1-CD1 3.84Å; T508-I512 HydrophobicContact CG2-CD1 3.88Å; T508-I512 HydrophobicContact CG2-CG1 4.45Å; T508-I512 WeakPolarHBondContact O-CD1 3.09Å; T508-I512 WeakPolarHBondContact O-CG1 3.21Å; T508-I512 PolarHBondContact O-N 3.25Å; Y509-I512 PolarHBondContact O-N 3.16Å; Q510-I512 VanDerWaalsContact C-N 3.35Å; Q510-I512 PolarHBondContact O-N 2.92Å; I512-L514 PolarHBondContact O-N 3.24Å; I512-E515 PolarHBondContact O-N 2.88Å; I512-Q516 HydrophobicContact CG2-CG 4.31Å; I512-Q516 VanDerWaalsContact O-CG 3.27Å; I512-Q516 WeakPolarHBondContact O-CG 3.32Å; I512-Q516 PolarHBondContact O-N 3.24Å
513I64Low61.1Low35 Ų3540.8 Ų40.818%0.17921%0.205CC..Hα-helixtrans-57.6-50.5-178.6-68.6171.2000110.5A485 Y509 Q510 E515 Q516 Y517A485-I513 HydrophobicContact CB-CD1 3.67Å; A485-I513 HydrophobicContact CB-CG1 3.68Å; Y509-I513 HydrophobicContact CD1-CD1 3.72Å; Y509-I513 HydrophobicContact CD2-CD1 4.38Å; Y509-I513 HydrophobicContact CE1-CD1 3.17Å; Y509-I513 HydrophobicContact CE1-CG1 4.43Å; Y509-I513 HydrophobicContact CE2-CD1 3.89Å; Y509-I513 HydrophobicContact CG-CD1 4.29Å; Y509-I513 WeakPolarHBondContact O-CG1 3.18Å; Y509-I513 PolarHBondContact O-N 2.95Å; Y509-I513 WeakPolarHBondContact OH-CD1 3.42Å; Q510-I513 PolarHBondContact O-N 3.34Å; I513-E515 PolarHBondContact O-N 3.37Å; I513-Q516 PolarHBondContact O-N 3.27Å; I513-Y517 HydrophobicContact CG2-CE2 3.9Å; I513-Y517 WeakPolarHBondContact O-CD2 3.11Å; I513-Y517 WeakPolarHBondContact O-CE2 3.36Å
514L57.5Low59.9Low48 Ų4843.3 Ų43.325%0.25122%0.218SC..Hα-helixtrans-62.7-44.2-176.5-67.8-180000112L304 I308 Q510 I512 Q516 Y517L304-L514 HydrophobicContact CD1-CD1 3.7Å; L304-L514 HydrophobicContact CD1-CD2 3.58Å; L304-L514 HydrophobicContact CD1-CG 4.15Å; L304-L514 HydrophobicContact CG-CD1 4.24Å; I308-L514 HydrophobicContact CD1-CB 4.42Å; I308-L514 HydrophobicContact CD1-CD1 4.1Å; I308-L514 HydrophobicContact CG1-CD1 3.7Å; Q510-L514 VanDerWaalsContact O-CG 3.28Å; Q510-L514 WeakPolarHBondContact O-CG 3.46Å; Q510-L514 PolarHBondContact O-N 2.86Å; I512-L514 PolarHBondContact O-N 3.24Å; L514-Q516 PolarHBondContact O-N 3.04Å; L514-Y517 PolarHBondContact O-N 3.12Å
515E59.5Low59Low4 Ų449.6 Ų49.62%0.01924%0.241CC..Hα-helixtrans-74.2-21.9-178-77.5-172-138.700113.6R345 R511 I512 I513 Y517 M518 R523 L526R345-E515 VanDerWaalsContact CZ-CD 3.49Å; R345-E515 IonicContact CZ-OE1 3.58Å; R345-E515 IonicContact CZ-OE2 3.94Å; R345-E515 IonicContact NH1-OE1 3.83Å; R345-E515 PolarHBondContact NH1-OE1 3.03Å; R345-E515 IonicContact NH1-OE2 3.39Å; R345-E515 PolarHBondContact NH1-OE2 3.32Å; R345-E515 VanDerWaalsContact NH1-OE2 3.1Å; R345-E515 IonicContact NH2-OE1 2.86Å; R345-E515 IonicContact NH2-OE2 3.87Å; R345-E515 PolarHBondContact NH2-OE2 3.49Å; R511-E515 HydrophobicContact CG-CG 4.49Å; R511-E515 VanDerWaalsContact CG-OE1 3.23Å; R511-E515 WeakPolarHBondContact CG-OE1 3.49Å; R511-E515 IonicContact CZ-OE1 3.85Å; R511-E515 IonicContact NE-OE1 3.84Å; R511-E515 PolarHBondContact NE-OE1 3.28Å; R511-E515 IonicContact NH2-OE1 2.86Å; R511-E515 PolarHBondContact NH2-OE1 2.95Å; R511-E515 VanDerWaalsContact O-CB 3.3Å; R511-E515 WeakPolarHBondContact O-CB 3.32Å; R511-E515 WeakPolarHBondContact O-CG 3.22Å; R511-E515 PolarHBondContact O-N 3.43Å; I512-E515 PolarHBondContact O-N 2.88Å; I513-E515 PolarHBondContact O-N 3.37Å; E515-Y517 PolarHBondContact O-N 3.38Å; E515-M518 HydrophobicContact CG-SD 4.16Å; E515-M518 WeakPolarHBondContact O-CB 3.33Å; E515-M518 PolarHBondContact O-N 3.43Å; E515-R523 HydrophobicContact CB-CG 3.96Å; E515-R523 HydrophobicContact CG-CG 4.12Å; E515-R523 PolarHBondContact O-NH1 2.81Å; E515-L526 HydrophobicContact CG-CD2 3.72Å
516Q60.8Low58.3Low34 Ų3449 Ų4916%0.15924%0.237CC..Hα-helixtrans-61.3-30.6174.1-80.2171.45.700112H351 I512 I513 L514 M518H351-Q516 PolarHBondContact CE1-NE2 3.39Å; H351-Q516 PolarHBondContact ND1-NE2 3.37Å; I512-Q516 HydrophobicContact CG2-CG 4.31Å; I512-Q516 VanDerWaalsContact O-CG 3.27Å; I512-Q516 WeakPolarHBondContact O-CG 3.32Å; I512-Q516 PolarHBondContact O-N 3.24Å; I513-Q516 PolarHBondContact O-N 3.27Å; L514-Q516 PolarHBondContact O-N 3.04Å; Q516-M518 VanDerWaalsContact C-N 3.28Å
517Y53.5Low57.8Low116 Ų11646.7 Ų46.746%0.45522%0.22SC..THydrogen-bonded Turntrans-82.5-5.2173.7-56.2-78.5000113.4S487 I513 L514 E515S487-Y517 WeakPolarHBondContact CB-OH 3.31Å; S487-Y517 WeakPolarHBondContact OG-CE1 3.45Å; I513-Y517 HydrophobicContact CG2-CE2 3.9Å; I513-Y517 WeakPolarHBondContact O-CD2 3.11Å; I513-Y517 WeakPolarHBondContact O-CE2 3.36Å; L514-Y517 PolarHBondContact O-N 3.12Å; E515-Y517 PolarHBondContact O-N 3.38Å
518M52.5Low57.6Low34 Ų3450.9 Ų50.917%0.16724%0.238CC..SBendtrans-93.6150.9-179.5-64.1-173.6-173.700111.3L304 I308 E515 Q516 C522 R523 L526L304-M518 HydrophobicContact CD2-CE 3.51Å; I308-M518 HydrophobicContact CD1-CE 3.56Å; E515-M518 HydrophobicContact CG-SD 4.16Å; E515-M518 WeakPolarHBondContact O-CB 3.33Å; E515-M518 PolarHBondContact O-N 3.43Å; Q516-M518 VanDerWaalsContact C-N 3.28Å; M518-C522 HydrophobicContact CB-CB 4.04Å; M518-R523 HydrophobicContact CB-CG 3.91Å; M518-R523 PolarHBondContact O-NH1 3.25Å; M518-R523 PolarHBondContact O-NH2 3Å; M518-L526 HydrophobicContact SD-CD2 4.07Å
519T48.8Very low56.5Low21 Ų2156.6 Ų56.613%0.12926%0.262CS..  trans-71.9159.3171.876.60000110.6W10 E251 K521 C522 R523W10-T519 HydrophobicContact CH2-CG2 3.79Å; W10-T519 HydrophobicContact CZ3-CG2 3.94Å; E251-T519 WeakPolarHBondContact OE1-CG2 3.15Å; T519-K521 PolarHBondContact O-N 3.27Å; T519-K521 VanDerWaalsContact O-N 3.12Å; T519-C522 PolarHBondContact O-N 3.34Å; T519-C522 PolarHBondContact OG1-N 2.87Å; T519-C522 PolarHBondContact OG1-SG 3.23Å; T519-C522 VanDerWaalsContact OG1-SG 3.36Å; T519-R523 PolarHBondContact O-N 3.35Å
520P57.7Low55.3Low62 Ų6255.9 Ų55.940%0.40326%0.261SS..Hα-helixtrans-54.5-34.8175.9-22.429.7000112.9S348 K524S348-P520 WeakPolarHBondContact O-CG 3.32Å; P520-K524 VanDerWaalsContact O-CB 3.3Å; P520-K524 WeakPolarHBondContact O-CB 3.28Å; P520-K524 PolarHBondContact O-N 3.34Å
521K49.9Very low54.5Low100 Ų10052.6 Ų52.644%0.43525%0.245SC..Hα-helixtrans-69.6-42.1178.5-69.9176.8-176.4159.70111.8T519 K524 W525T519-K521 PolarHBondContact O-N 3.27Å; T519-K521 VanDerWaalsContact O-N 3.12Å; K521-K524 PolarHBondContact O-N 3.32Å; K521-W525 WeakPolarHBondContact O-CB 3.32Å; K521-W525 PolarHBondContact O-N 2.83Å
522C50.2Low53.1Low59 Ų5957 Ų5740%0.39927%0.269SS..Hα-helixtrans-65.7-43.7176.2-67.20000111.1M518 T519 K524 W525 L526M518-C522 HydrophobicContact CB-CB 4.04Å; T519-C522 PolarHBondContact O-N 3.34Å; T519-C522 PolarHBondContact OG1-N 2.87Å; T519-C522 PolarHBondContact OG1-SG 3.23Å; T519-C522 VanDerWaalsContact OG1-SG 3.36Å; C522-K524 PolarHBondContact O-N 3.46Å; C522-W525 PolarHBondContact O-N 2.94Å; C522-L526 VanDerWaalsContact O-CB 3.25Å; C522-L526 WeakPolarHBondContact O-CB 3.28Å; C522-L526 PolarHBondContact O-N 2.86Å
523R59.3Low51.4Low10 Ų1060.4 Ų60.44%0.03829%0.291CS..Hα-helixtrans-58.4-46.2172.8-71.4-171.8-78.5-103.4-3.2111.9L347 S348 D349 E515 M518 T519 L526 K527L347-R523 PolarHBondContact O-NE 2.89Å; L347-R523 PolarHBondContact O-NH2 3.16Å; S348-R523 VanDerWaalsContact C-NH2 3.31Å; S348-R523 PolarHBondContact O-NH2 2.78Å; D349-R523 VanDerWaalsContact CA-NH2 3.26Å; D349-R523 PolarHBondContact O-NH1 3.09Å; E515-R523 HydrophobicContact CB-CG 3.96Å; E515-R523 HydrophobicContact CG-CG 4.12Å; E515-R523 PolarHBondContact O-NH1 2.81Å; M518-R523 HydrophobicContact CB-CG 3.91Å; M518-R523 PolarHBondContact O-NH1 3.25Å; M518-R523 PolarHBondContact O-NH2 3Å; T519-R523 PolarHBondContact O-N 3.35Å; R523-L526 PolarHBondContact O-N 2.92Å; R523-K527 WeakPolarHBondContact O-CB 3.36Å; R523-K527 PolarHBondContact O-N 3.18Å
524K58.4Low49.6Very low117 Ų11766.2 Ų66.251%0.50932%0.322SS..Hα-helixtrans-59.7-48.7175.2-171.2174.3-177.8176.20110.7P520 K521 C522 L526 K527 H528P520-K524 VanDerWaalsContact O-CB 3.3Å; P520-K524 WeakPolarHBondContact O-CB 3.28Å; P520-K524 PolarHBondContact O-N 3.34Å; K521-K524 PolarHBondContact O-N 3.32Å; C522-K524 PolarHBondContact O-N 3.46Å; K524-L526 PolarHBondContact O-N 3.41Å; K524-K527 WeakPolarHBondContact O-CB 3.3Å; K524-K527 PolarHBondContact O-N 3.48Å; K524-H528 VanDerWaalsContact CG-CE1 3.43Å; K524-H528 WeakPolarHBondContact CG-CE1 3.2Å; K524-H528 PolarHBondContact O-N 2.82Å; K524-H528 PolarHBondContact O-ND1 2.99Å
525W52.9Low48.2Very low137 Ų13767.5 Ų67.552%0.51934%0.335SS..Hα-helixtrans-58.7-47.9178176.790.9000112.2K521 C522 K527 H528 K529K521-W525 WeakPolarHBondContact O-CB 3.32Å; K521-W525 PolarHBondContact O-N 2.83Å; C522-W525 PolarHBondContact O-N 2.94Å; W525-K527 VanDerWaalsContact C-N 3.34Å; W525-K527 PolarHBondContact O-N 3.45Å; W525-H528 PolarHBondContact O-N 3.32Å; W525-H528 VanDerWaalsContact O-N 3.12Å; W525-K529 HydrophobicContact CD2-CG 4.15Å; W525-K529 HydrophobicContact CH2-CG 4.32Å; W525-K529 HydrophobicContact CZ2-CG 3.89Å; W525-K529 WeakPolarHBondContact O-CG 3.46Å; W525-K529 PolarHBondContact O-N 3.03Å; W525-K529 VanDerWaalsContact O-N 3.15Å
526L51.2Low46.5Very low3 Ų375.7 Ų75.72%0.01637%0.367CS..Hα-helixtrans-56.5-49.7178.4179.470.5000110.3I308 E515 M518 C522 R523 K524 H528 K529 T530I308-L526 HydrophobicContact CB-CD1 4.19Å; I308-L526 HydrophobicContact CD1-CD1 4.19Å; I308-L526 HydrophobicContact CD1-CD2 4.09Å; I308-L526 HydrophobicContact CG2-CD1 3.66Å; I308-L526 HydrophobicContact CG2-CD2 3.71Å; I308-L526 HydrophobicContact CG2-CG 3.96Å; E515-L526 HydrophobicContact CG-CD2 3.72Å; M518-L526 HydrophobicContact SD-CD2 4.07Å; C522-L526 VanDerWaalsContact O-CB 3.25Å; C522-L526 WeakPolarHBondContact O-CB 3.28Å; C522-L526 PolarHBondContact O-N 2.86Å; R523-L526 PolarHBondContact O-N 2.92Å; K524-L526 PolarHBondContact O-N 3.41Å; L526-H528 VanDerWaalsContact C-N 3.33Å; L526-H528 PolarHBondContact O-N 3.2Å; L526-K529 PolarHBondContact O-N 2.99Å; L526-T530 HydrophobicContact CD1-CG2 3.81Å; L526-T530 HydrophobicContact CG-CG2 4.29Å; L526-T530 PolarHBondContact O-N 2.87Å; L526-T530 PolarHBondContact O-OG1 2.75Å
527K56.1Low45.1Very low22 Ų2276 Ų7610%0.09637%0.373CS..Hα-helixtrans-54.4-44.9175.1-178.6-178.3174.2-171.30112.6L347 D403 R523 K524 W525 K529 F531L347-K527 HydrophobicContact CD2-CD 4.08Å; D403-K527 IonicContact OD1-NZ 3.79Å; D403-K527 PolarHBondContact OD1-NZ 3.37Å; D403-K527 WeakPolarHBondContact OD2-CE 3.09Å; D403-K527 IonicContact OD2-NZ 3.53Å; D403-K527 PolarHBondContact OD2-NZ 2.87Å; R523-K527 WeakPolarHBondContact O-CB 3.36Å; R523-K527 PolarHBondContact O-N 3.18Å; K524-K527 WeakPolarHBondContact O-CB 3.3Å; K524-K527 PolarHBondContact O-N 3.48Å; W525-K527 VanDerWaalsContact C-N 3.34Å; W525-K527 PolarHBondContact O-N 3.45Å; K527-K529 PolarHBondContact O-N 2.92Å; K527-F531 HydrophobicContact CG-CD2 4.12Å; K527-F531 WeakPolarHBondContact O-CD2 3.37Å; K527-F531 PolarHBondContact O-N 3.23Å
528H52.8Low43.9Very low127 Ų12779 Ų7959%0.58839%0.388SS*.Hα-helixtrans-70.2-14.9179.3-7171.7000113.4K524 W525 L526K524-H528 VanDerWaalsContact CG-CE1 3.43Å; K524-H528 WeakPolarHBondContact CG-CE1 3.2Å; K524-H528 PolarHBondContact O-N 2.82Å; K524-H528 PolarHBondContact O-ND1 2.99Å; W525-H528 PolarHBondContact O-N 3.32Å; W525-H528 VanDerWaalsContact O-N 3.12Å; L526-H528 VanDerWaalsContact C-N 3.33Å; L526-H528 PolarHBondContact O-N 3.2Å
529K44.9Very low42.6Very low127 Ų12785.2 Ų85.255%0.55242%0.417SS*.Hα-helixtrans-106.1-32.1-176.6-70.5-63.3-173.7-178.40113.9W525 L526 K527W525-K529 HydrophobicContact CD2-CG 4.15Å; W525-K529 HydrophobicContact CH2-CG 4.32Å; W525-K529 HydrophobicContact CZ2-CG 3.89Å; W525-K529 WeakPolarHBondContact O-CG 3.46Å; W525-K529 PolarHBondContact O-N 3.03Å; W525-K529 VanDerWaalsContact O-N 3.15Å; L526-K529 PolarHBondContact O-N 2.99Å; K527-K529 PolarHBondContact O-N 2.92Å
530T43.1Very low41.5Very low14 Ų1487.2 Ų87.29%0.08643%0.432CS..Hα-helixtrans-86.7-34.3-178.252.80000113.2I308 Y309 A312 L526 L532I308-T530 HydrophobicContact CG2-CG2 4.33Å; Y309-T530 HydrophobicContact CD2-CG2 4.24Å; A312-T530 HydrophobicContact CB-CG2 4.46Å; L526-T530 HydrophobicContact CD1-CG2 3.81Å; L526-T530 HydrophobicContact CG-CG2 4.29Å; L526-T530 PolarHBondContact O-N 2.87Å; L526-T530 PolarHBondContact O-OG1 2.75Å; T530-L532 PolarHBondContact O-N 2.84Å
531F43.5Very low40.1Very low28 Ų2887 Ų8712%0.12344%0.435CS..SBendtrans-88.979.9175.3-62.8-77.4000109.5A312 R511 K527A312-F531 HydrophobicContact CB-CZ 4.24Å; R511-F531 VanDerWaalsContact NH1-CZ 3.3Å; K527-F531 HydrophobicContact CG-CD2 4.12Å; K527-F531 WeakPolarHBondContact O-CD2 3.37Å; K527-F531 PolarHBondContact O-N 3.23Å
532L33.4Very low39.1Very low97 Ų9788.8 Ų88.851%0.50846%0.457SS..  trans-66.7135.7173-82.7163000110.2Y309 T530 N534 S535Y309-L532 HydrophobicContact CE2-CD1 4.41Å; T530-L532 PolarHBondContact O-N 2.84Å; L532-N534 PolarHBondContact O-N 3.37Å; L532-S535 PolarHBondContact O-OG 3.12Å
533P29.6Very low38Very low74 Ų7489.8 Ų89.848%0.48148%0.477SS..THydrogen-bonded Turntrans-54.5137.4168.1-2231.6000111P365P365-P533 HydrophobicContact CB-CB 3.73Å; P365-P533 HydrophobicContact CB-CG 3.88Å; P365-P533 HydrophobicContact CG-CG 4.18Å
534N26.9Very low36.2Very low156 Ų15697.7 Ų97.783%0.83451%0.508SS*.THydrogen-bonded Turntrans75.79.7173.2-49.9-30.7000118L532 Y536L532-N534 PolarHBondContact O-N 3.37Å; N534-Y536 PolarHBondContact O-N 3.08Å
535S28.3Very low34.7Very low76 Ų7697.2 Ų97.253%0.53152%0.517SS..  trans-82.264.5166.254.50000111L532 P537L532-S535 PolarHBondContact O-OG 3.12Å; S535-P537 WeakPolarHBondContact O-CD 3.4Å
536Y23.7Very low33.5Very low176 Ų17694.2 Ų94.269%0.6952%0.521SS*.  trans-89.7115161.1-136.4-101.1000106.7N534 F538N534-Y536 PolarHBondContact O-N 3.08Å; Y536-F538 PolarHBondContact O-N 3.25Å
537P29.4Very low32.3Very low41 Ų41101.1 Ų101.127%0.26656%0.558SS.*  trans-64.3124.5179.7-12.418.7000109.7N317 K320 S535 Q539N317-P537 WeakPolarHBondContact OD1-CG 3.22Å; K320-P537 PolarHBondContact NZ-O 2.95Å; S535-P537 WeakPolarHBondContact O-CD 3.4Å; P537-Q539 PolarHBondContact O-N 3.19Å
538F28.4Very low30.8Very low177 Ų177102.9 Ų102.978%0.77658%0.583SS**SBendtrans-66.6-6.3173.5-82.7-87.6000113.7Y536Y536-F538 PolarHBondContact O-N 3.25Å
539Q26.7Very low29.7Very low166 Ų166102.6 Ų102.678%0.77658%0.58SS**SBendtrans-115.4124.3-175.4-70.1176.4-10.800110.2P537P537-Q539 PolarHBondContact O-N 3.19Å
540S25.8Very low29.1Very low63 Ų63100 Ų10044%0.44159%0.59SS.*PPolyproline II helixtrans-59141.9170.6-34.50000109.7
541A28.2Very low28.6Very low58 Ų58110 Ų11048%0.47963%0.626SS.*PPolyproline II helixtrans-57.9152.1-177.600000112.3G543 Y544A541-G543 PolarHBondContact O-N 2.72Å; A541-Y544 PolarHBondContact O-N 3.1Å
542P28Very low28Very low136 Ų136116.7 Ų116.788%0.88366%0.655SS**THydrogen-bonded Turntrans-54.5124.6176.8-22.232.2000111.3
543G26.6Very low27.7Very low80 Ų80121.6 Ų121.683%0.82567%0.673SS**THydrogen-bonded Turntrans105.2-4.7179.400000115.9A541A541-G543 PolarHBondContact O-N 2.72Å
544Y23.5Very low27.7Very low177 Ų177122.2 Ų122.269%0.69468%0.678SS**SBendtrans-109.9132175.9-73.7-91.9000111.5A541 A546A541-Y544 PolarHBondContact O-N 3.1Å; Y544-A546 PolarHBondContact O-N 3.45Å
545P26.1Very low27.9Very low106 Ų106125.2 Ų125.269%0.68868%0.68SS**  trans-60.2129.9178.722.6-29.6000110D547P545-D547 VanDerWaalsContact C-N 3.34Å; P545-D547 PolarHBondContact O-N 3.28Å
546A28.3Very low28Very low74 Ų74130.4 Ų130.461%0.61269%0.692SS**  trans-69.188.1-176.400000110.3Y544 G548Y544-A546 PolarHBondContact O-N 3.45Å; A546-G548 PolarHBondContact O-N 3.31Å
547D25.4Very low28.4Very low148 Ų148130.3 Ų130.379%0.79170%0.704SS**  trans-64.1108.3172-77.6-24.7000109.8P545P545-D547 VanDerWaalsContact C-N 3.34Å; P545-D547 PolarHBondContact O-N 3.28Å
548G25.5Very low28.6Very low59 Ų59132.8 Ų132.861%0.60872%0.722SS**  trans105.32214100000119.2A546 G550A546-G548 PolarHBondContact O-N 3.31Å; G548-G550 PolarHBondContact O-N 2.96Å
549F29.4Very low28.8Very low121 Ų121131.5 Ų131.553%0.53172%0.723SS.*G310 helixtrans-76.78.6168.7-81.8-75.2000114.8R551F549-R551 PolarHBondContact O-N 2.7Å; F549-R551 VanDerWaalsContact O-N 3.17Å
550G31.7Very low29.1Very low74 Ų74132.4 Ų132.476%0.76373%0.727SS**G310 helixtrans-65.2-12.2175.500000115.3G548G548-G550 PolarHBondContact O-N 2.96Å
551R32Very low29.3Very low222 Ų222133.9 Ų133.984%0.83874%0.737SS**G310 helixtrans-109.5-4.5-173.1-73.7-167.6179.4-172.11.5117.5F549F549-R551 PolarHBondContact O-N 2.7Å; F549-R551 VanDerWaalsContact O-N 3.17Å
552F30.4Very low29.3Very low169 Ų169137.3 Ų137.374%0.74175%0.748SS**SBendtrans-102.14.7176.1-72-75.2000114.7S554F552-S554 VanDerWaalsContact C-N 3.35Å; F552-S554 PolarHBondContact O-N 2.87Å
553K29Very low29.3Very low201 Ų201138 Ų13887%0.87474%0.743SS**THydrogen-bonded Turntrans-84.57.7174-82.4-169.1176.4-177.50115.3
554S28.7Very low29.3Very low86 Ų86141.3 Ų141.360%0.60174%0.737SS**THydrogen-bonded Turntrans-99.8-2-179.573.10000115.8F552 K556F552-S554 VanDerWaalsContact C-N 3.35Å; F552-S554 PolarHBondContact O-N 2.87Å; S554-K556 PolarHBondContact O-N 2.78Å
555Y30Very low29.4Very low220 Ų220140 Ų14086%0.86374%0.74SS**SBendtrans-82.578.3168.8-81.3-81.5000110.3N557Y555-N557 PolarHBondContact O-N 2.77Å
556K31.7Very low29.1Very low184 Ų184143.2 Ų143.280%0.875%0.746SS**  trans-3.2113.2156.1-73.5175.3171.9178.40114.7S554 S558S554-K556 PolarHBondContact O-N 2.78Å; K556-S558 PolarHBondContact O-N 2.88Å
557N32.9Very low29Very low174 Ų174145 Ų14593%0.9375%0.751SS**  -0.968122.5-66.5-10.5000116.8Y555Y555-N557 PolarHBondContact O-N 2.77Å
558S32.5Very low28.9Very low94 Ų94145.7 Ų145.766%0.65775%0.754SS**  trans-138.4100.2149.359.80000108.7K556K556-S558 PolarHBondContact O-N 2.88Å
559L32Very low28.8Very low150 Ų150149.3 Ų149.379%0.78577%0.765SS**  trans61.7102.9161.8-74.291.2000117.8S561L559-S561 PolarHBondContact O-N 2.81Å
560Q34Very low28.5Very low184 Ų184153 Ų15386%0.8678%0.781SS**  33.647.2121.4-77.7177.6-32.900117.5D562Q560-D562 PolarHBondContact O-N 2.96Å
561S30.3Very low28Very low94 Ų94157.7 Ų157.766%0.65778%0.783SS**  trans-79.696.4156.958.50000106.8L559 L563L559-S561 PolarHBondContact O-N 2.81Å; S561-L563 PolarHBondContact O-N 3.38Å
562D27.3Very low27.5Very low131 Ų131155.9 Ų155.970%0.70178%0.784SS**  trans-49.786.2164.6-71.7-42.2000110Q560 H564Q560-D562 PolarHBondContact O-N 2.96Å; D562-H564 PolarHBondContact O-N 2.83Å
563L27.4Very low27.1Very low149 Ų149156.8 Ų156.878%0.7879%0.788SS**  trans-74.468.9159.4-93141.8000106.9S561 I565S561-L563 PolarHBondContact O-N 3.38Å; L563-I565 PolarHBondContact O-N 3.1Å
564H26.8Very low26.8Very low151 Ų151159.1 Ų159.170%0.69979%0.791SS**  trans-57.192.4152.2-81.2-71.3000106.5D562 Q566D562-H564 PolarHBondContact O-N 2.83Å; H564-Q566 PolarHBondContact O-N 3.32Å
565I25.4Very low26.5Very low149 Ų149163.4 Ų163.476%0.76480%0.802SS**  trans-55.296.7160.3-62.9170.5000104.9L563 P567L563-I565 PolarHBondContact O-N 3.1Å; I565-P567 WeakPolarHBondContact O-CD 3.45Å; I565-P567 VanDerWaalsContact O-N 3.13Å
566Q21.1Very low26.3Very low174 Ų174156 Ų15681%0.81379%0.792SS**  trans-60.3113.8171.3-81.3-174.3-14.300106.9H564 L568H564-Q566 PolarHBondContact O-N 3.32Å; Q566-L568 PolarHBondContact O-N 2.97Å
567P25.9Very low25.8Very low111 Ų111153.3 Ų153.372%0.72179%0.791SS**  trans-65.6123.6170.8-10.126.8000106.6I565 T569I565-P567 WeakPolarHBondContact O-CD 3.45Å; I565-P567 VanDerWaalsContact O-N 3.13Å; P567-T569 PolarHBondContact O-N 2.72Å
568L24.1Very low25.3Very low163 Ų163151.7 Ų151.785%0.85378%0.782SS**  trans-42.4112.4172.8-85.5145.8000110Q566 F570Q566-L568 PolarHBondContact O-N 2.97Å; L568-F570 PolarHBondContact O-N 3.38Å
569T22.8Very low24.8Very low135 Ų135153.2 Ų153.283%0.82879%0.788SS**  trans-60.7116.2177.125.40000109.7P567 Q571P567-T569 PolarHBondContact O-N 2.72Å; T569-Q571 PolarHBondContact O-N 3.4Å
570F23.3Very low24.3Very low199 Ų199153.9 Ų153.987%0.87379%0.786SS**  trans-57.4126.1174.3-67.4-94.1000110.7L568 Q572L568-F570 PolarHBondContact O-N 3.38Å; F570-Q572 PolarHBondContact O-N 2.8Å; F570-Q572 VanDerWaalsContact O-N 3.08Å
571Q21.5Very low23.6Very low171 Ų171154.4 Ų154.480%0.79979%0.786SS**  trans-69.5102.6166-82.5-179.6-21.700109T569 F573T569-Q571 PolarHBondContact O-N 3.4Å; Q571-F573 PolarHBondContact O-N 2.77Å
572Q20.3Very low23.2Very low185 Ų185157.9 Ų157.986%0.86479%0.792SS**  trans-71.2105.3177.1-159.1178.326.300109.7F570F570-Q572 PolarHBondContact O-N 2.8Å; F570-Q572 VanDerWaalsContact O-N 3.08Å
573F22.8Very low23.1Very low187 Ų187161.8 Ų161.882%0.8280%0.799SS**PPolyproline II helixtrans-78.5122.8165.9-75.7-88.4000108.7Q571Q571-F573 PolarHBondContact O-N 2.77Å
574R21.2Very low23Very low250 Ų250159.9 Ų159.994%0.94380%0.797SS**PPolyproline II helixtrans-63.7131.6-175.4-86.5-176.5175.5175.1-1.6112.1
575H23.6Very low23.1Very low177 Ų177157.1 Ų157.182%0.81979%0.792SS**PPolyproline II helixtrans-69.9134178.9-156.8-94.5000111.9
576G25.3Very low23.1Very low64 Ų64156 Ų15666%0.6680%0.797SS**  trans-117.1148.7169.500000110.4
577T22.4Very low23.5Very low128 Ų128152.7 Ų152.779%0.78578%0.784SS**  trans-71.3125.9-164.444.10000115.5
578D22.1Very low23.6Very low139 Ų139156.4 Ų156.474%0.74379%0.792SS**  trans31.2123139.8-52.8-31.2000120.8
579V20.5Very low23.6Very low127 Ų127153.8 Ų153.877%0.7779%0.786SS**  trans-146115.6141.2-174.60000109.4F581V579-F581 HydrophobicContact CG1-CD2 3.92Å; V579-F581 HydrophobicContact CG1-CE2 3.58Å
580Q21.3Very low23.7Very low163 Ų163156.1 Ų156.176%0.76278%0.78SS**  trans-70.2148.1167.8-79.2161-49.500111.3
581F21.3Very low23.8Very low196 Ų196153 Ų15386%0.8678%0.779SS**  trans-143.3123.3161.1-91.8-79.4000111.5V579V579-F581 HydrophobicContact CG1-CD2 3.92Å; V579-F581 HydrophobicContact CG1-CE2 3.58Å
582E21Very low24Very low166 Ų166151.7 Ų151.778%0.77678%0.777SS**  trans-72.2143.3162.9-71.6176.6124.900111.3
583Y24.2Very low24.2Very low214 Ų214147.6 Ų147.684%0.83976%0.755SS**  146.2126.8116.9-146.2-95.7000113.1
584C25.9Very low24.2Very low109 Ų109143 Ų14374%0.73675%0.745SS**  trans-91.8149-177.4-680000112.5
585P28.3Very low24.5Very low92 Ų92135.9 Ų135.960%0.59773%0.73SS**  trans-136.5174.1132.728.9-10.5000113.9L259L259-P585 HydrophobicContact CD1-CG 4.11Å
586S26.6Very low24.7Very low125 Ų125130.7 Ų130.787%0.87471%0.711SS**  trans-66143.5-155.165.20000117
587L29.9Very low24.6Very low105 Ų105132 Ų13255%0.5570%0.702SS.*  trans-108.518.7-155.3-94.4163.4000116.6C589 Y593L587-C589 PolarHBondContact O-N 3.23Å; L587-Y593 HydrophobicContact CD1-CE1 4.22Å; L587-Y593 HydrophobicContact CD2-CD1 4.18Å; L587-Y593 HydrophobicContact CD2-CD2 3.54Å; L587-Y593 HydrophobicContact CD2-CE1 3.83Å; L587-Y593 HydrophobicContact CD2-CE2 3.15Å; L587-Y593 HydrophobicContact CD2-CG 4.04Å; L587-Y593 HydrophobicContact CG-CE2 4.46Å
588Q26.6Very low24.9Very low190 Ų190131.8 Ų131.889%0.88870%0.696SS**SBendtrans-870.8-170-80.3-174-12.600117
589C24.2Very low25.2Very low107 Ų107127.8 Ų127.872%0.72368%0.675SS**SBendtrans-129.320.1-168.6-60.30000117.3L587L587-C589 PolarHBondContact O-N 3.23Å
590W25.6Very low25.5Very low185 Ų185127.4 Ų127.470%0.70167%0.668SS**  trans-132.3113-172.6-74.960.9000113.8L592W590-L592 PolarHBondContact O-N 3.36Å
591P25.2Very low25.8Very low132 Ų132125.8 Ų125.886%0.85767%0.671SS**G310 helixtrans-73.7-3.4-17927.2-31.7000114.4Y593P591-Y593 PolarHBondContact O-N 2.82Å
592L26.3Very low26Very low144 Ų144121.9 Ų121.975%0.75466%0.663SS**G310 helixtrans-76-5.2175.8-130.598.8000113.7W590W590-L592 PolarHBondContact O-N 3.36Å
593Y23.7Very low26.2Very low99 Ų99119.6 Ų119.639%0.38866%0.661SS.*G310 helixtrans-81.3-17-166.8-134.6-96.9000115.4L587 P591 V595 V596 N597L587-Y593 HydrophobicContact CD1-CE1 4.22Å; L587-Y593 HydrophobicContact CD2-CD1 4.18Å; L587-Y593 HydrophobicContact CD2-CD2 3.54Å; L587-Y593 HydrophobicContact CD2-CE1 3.83Å; L587-Y593 HydrophobicContact CD2-CE2 3.15Å; L587-Y593 HydrophobicContact CD2-CG 4.04Å; L587-Y593 HydrophobicContact CG-CE2 4.46Å; P591-Y593 PolarHBondContact O-N 2.82Å; Y593-V595 VanDerWaalsContact C-N 3.32Å; Y593-V595 PolarHBondContact O-N 2.91Å; Y593-V596 PolarHBondContact O-N 2.87Å; Y593-N597 WeakPolarHBondContact CE1-OD1 3.41Å; Y593-N597 PolarHBondContact O-N 2.88Å
594S23.9Very low26.4Very low90 Ų90117.4 Ų117.463%0.62966%0.664SS**Hα-helixtrans-64.4-33.3-173.3-168.90000113.4V596S594-V596 VanDerWaalsContact C-N 3.3Å; S594-V596 PolarHBondContact O-N 2.78Å
595V26.6Very low26.5Very low101 Ų101115.1 Ų115.161%0.61266%0.659SS**Hα-helixtrans-75-22.5-176.9-177.10000112.2Y593Y593-V595 VanDerWaalsContact C-N 3.32Å; Y593-V595 PolarHBondContact O-N 2.91Å
596V27.4Very low26.2Very low69 Ų69115.2 Ų115.242%0.41866%0.66SS.*Hα-helixtrans-88.5-30.3-177.4-175.30000112Y593 S594 D598 L599Y593-V596 PolarHBondContact O-N 2.87Å; S594-V596 VanDerWaalsContact C-N 3.3Å; S594-V596 PolarHBondContact O-N 2.78Å; V596-D598 VanDerWaalsContact C-N 3.28Å; V596-D598 PolarHBondContact O-N 2.83Å; V596-L599 WeakPolarHBondContact O-CB 3.19Å; V596-L599 PolarHBondContact O-N 2.81Å
597N24.6Very low26.2Very low90 Ų90114.6 Ų114.648%0.48165%0.653SS.*Hα-helixtrans-64.8-30.3178.7-84-9.9000113.2Y593 L599 L600Y593-N597 WeakPolarHBondContact CE1-OD1 3.41Å; Y593-N597 PolarHBondContact O-N 2.88Å; N597-L599 PolarHBondContact O-N 2.63Å; N597-L599 VanDerWaalsContact O-N 3.12Å; N597-L600 PolarHBondContact O-N 3.48Å
598D27.8Very low25.9Very low124 Ų124115.4 Ų115.466%0.66366%0.662SS**THydrogen-bonded Turntrans-69.9-5.3174.1-68.6-18.2000113.5R307 V596R307-D598 VanDerWaalsContact NH2-C 3.31Å; R307-D598 PolarHBondContact NH2-O 3.46Å; V596-D598 VanDerWaalsContact C-N 3.28Å; V596-D598 PolarHBondContact O-N 2.83Å
599L29.2Very low25.9Very low56 Ų56116 Ų11629%0.29366%0.657SS.*THydrogen-bonded Turntrans-96.31.1178.9-69.8166.7000113.5D303 V596 N597D303-L599 HydrophobicContact CB-CD2 4.41Å; V596-L599 WeakPolarHBondContact O-CB 3.19Å; V596-L599 PolarHBondContact O-N 2.81Å; N597-L599 PolarHBondContact O-N 2.63Å; N597-L599 VanDerWaalsContact O-N 3.12Å
600L27Very low25.8Very low119 Ų119121 Ų12162%0.62366%0.662SS**SBendtrans-122.5120.2-180-66.3173.4000110.9N597 V602N597-L600 PolarHBondContact O-N 3.48Å; L600-V602 WeakPolarHBondContact O-CG2 3.31Å; L600-V602 PolarHBondContact O-N 3.25Å
601P27.4Very low25.9Very low129 Ų129119.1 Ų119.184%0.83867%0.665SS**  trans-66.1120.5177.324.4-29.8000110.2
602V25.3Very low26Very low114 Ų114120 Ų12069%0.69166%0.663SS**  trans-99116.8-179.8-158.60000107.9L600L600-V602 WeakPolarHBondContact O-CG2 3.31Å; L600-V602 PolarHBondContact O-N 3.25Å
603T24.9Very low26.1Very low117 Ų117120.4 Ų120.472%0.71866%0.661SS**SBendtrans-115.8110.2163.539.60000108.9G605T603-G605 PolarHBondContact O-N 3.14Å
604N27.3Very low26.3Very low169 Ų169121 Ų12190%0.90468%0.675SS**THydrogen-bonded Turntrans51.141.9179-68.8-6000116.3C606N604-C606 PolarHBondContact O-N 2.68Å
605G28.4Very low26.6Very low61 Ų61123.5 Ų123.563%0.62969%0.687SS**THydrogen-bonded Turntrans73-5.3161.500000116.5T603T603-G605 PolarHBondContact O-N 3.14Å
606C23.5Very low26.6Very low93 Ų93123.9 Ų123.963%0.62869%0.694SS**SBendtrans-126.4116.7177.7-74.70000110.1N604 V608N604-C606 PolarHBondContact O-N 2.68Å; C606-V608 PolarHBondContact O-N 3.13Å
607P25.9Very low26.8Very low112 Ų112130.5 Ų130.573%0.72772%0.717SS**PPolyproline II helixtrans-65.6119.6173.524.1-29.1000109.7W609P607-W609 VanDerWaalsContact O-CD1 3.31Å
608V23.9Very low27Very low123 Ų123132.9 Ų132.975%0.74573%0.73SS**PPolyproline II helixtrans-87118.3177.7-178.20000109.1C606C606-V608 PolarHBondContact O-N 3.13Å
609W25.3Very low26.9Very low203 Ų203135.4 Ų135.477%0.76974%0.742SS**PPolyproline II helixtrans-87.1127.8176.1-6671000109.3P607P607-W609 VanDerWaalsContact O-CD1 3.31Å
610Y22.9Very low26.8Very low211 Ų211139.3 Ų139.383%0.82776%0.762SS**  trans-106.5101.1162.4-103.5-86.8000107.5N612Y610-N612 PolarHBondContact O-N 3.12Å
611D28.2Very low26.6Very low145 Ų145143.2 Ų143.278%0.77577%0.774SS**  trans-66.6111.4172.9-85.2-23.9000109.6
612N27.2Very low26.6Very low150 Ų150144.2 Ų144.280%0.80277%0.772SS**  trans-104.688.2164.6-85.2-25000107.8Y610Y610-N612 PolarHBondContact O-N 3.12Å
613E27.6Very low26.7Very low153 Ų153143.8 Ų143.872%0.71577%0.771SS**  trans-135.9104157.7-77.5-158.4163.900112
614T28.2Very low26.7Very low111 Ų111146.2 Ų146.268%0.68178%0.78SS**  trans55.7105.9133.854.60000119.6S616T614-S616 PolarHBondContact O-N 3.27Å
615T30.2Very low26.8Very low144 Ų144145.4 Ų145.488%0.88378%0.775SS**  trans30.285130.648.50000116.5
616S26.8Very low26.7Very low109 Ų109151.9 Ų151.976%0.76279%0.786SS**  trans-129105.6144.660.70000108.6T614 N618T614-S616 PolarHBondContact O-N 3.27Å; S616-N618 PolarHBondContact O-N 2.91Å
617K31.8Very low26.9Very low208 Ų208153.8 Ų153.890%0.90479%0.794SS**  trans-6394.4161-78.3179.5176.5177.30106.2
618N28.5Very low26.9Very low139 Ų139153.8 Ų153.874%0.74379%0.793SS**  trans-164.694.7151.5-88.1-27000107.6S616 I620S616-N618 PolarHBondContact O-N 2.91Å; N618-I620 VanDerWaalsContact C-N 3.28Å; N618-I620 PolarHBondContact O-N 2.95Å
619L25.7Very low27Very low178 Ų178155.3 Ų155.393%0.93280%0.797SS**  trans-60.287.6169.5-81.1153000109.2K621L619-K621 PolarHBondContact O-N 2.99Å
620I26.8Very low27.1Very low137 Ų137152.6 Ų152.670%0.70380%0.797SS**  trans-89.195.4166.6-58.1179.1000106.8N618 L622N618-I620 VanDerWaalsContact C-N 3.28Å; N618-I620 PolarHBondContact O-N 2.95Å; I620-L622 HydrophobicContact CG2-CD1 3.98Å; I620-L622 HydrophobicContact CG2-CG 4.48Å; I620-L622 PolarHBondContact O-N 2.89Å
621K23.5Very low27.3Very low202 Ų202149 Ų14988%0.87879%0.791SS**  trans-59.4115.5165.3-77.2178.1174.3177.60108.3L619L619-K621 PolarHBondContact O-N 2.99Å
622L26.9Very low27.2Very low150 Ų150148.1 Ų148.179%0.78579%0.786SS**  trans-107.3142.6166.5-93.3130.2000110.6I620I620-L622 HydrophobicContact CG2-CD1 3.98Å; I620-L622 HydrophobicContact CG2-CG 4.48Å; I620-L622 PolarHBondContact O-N 2.89Å
623P27.2Very low27Very low105 Ų105149.1 Ų149.168%0.68279%0.786SS**  trans-91.4142.2-154.80.220.7000112.7N625P623-N625 PolarHBondContact O-N 3.21Å
624N25.3Very low26.9Very low167 Ų167147.6 Ų147.689%0.89379%0.792SS**  trans-64.896172-74.7-21.7000111.2
625N28.4Very low27Very low152 Ų152147.3 Ų147.381%0.81380%0.801SS**  trans-111116.6165.2-88.8-12.5000111.3P623P623-N625 PolarHBondContact O-N 3.21Å
626K26.7Very low26.6Very low197 Ų197152.1 Ų152.186%0.85780%0.803SS**  trans-55.8131.6172-65.9168.8173.3176.30111.1
627V28.6Very low26.6Very low133 Ų133151.7 Ų151.781%0.80680%0.8SS**  trans-142.377.6154.6-174.70000106.8
628T26Very low26.3Very low112 Ų112149.6 Ų149.669%0.68780%0.799SS**  48.6102.9106.453.40000115.1
629N25.8Very low26Very low155 Ų155149.4 Ų149.483%0.82981%0.807SS**  trans-36.2132151.3-69.3-30.2000112.1
630N27.1Very low26Very low146 Ų146148.9 Ų148.978%0.78180%0.8SS**  trans-177.3138.6152.5-86.8-20.4000105.5
631L26.2Very low26.1Very low135 Ų135151.6 Ų151.671%0.70781%0.81SS**  cis-179149.4-9-149.778.3000103.4
632L26.1Very low26.4Very low128 Ų128148.4 Ų148.467%0.6780%0.802SS**  trans69.3111.2154.5-65.5154.6000118
633Q23.3Very low26.3Very low171 Ų171151.7 Ų151.780%0.79981%0.81SS**  67.7128.475.1-72.7-173.3-6.500115.3
634S26Very low26.2Very low120 Ų120155.1 Ų155.184%0.83982%0.817SS**  trans8897.5153.176.20000118.8
635A29.2Very low26.1Very low106 Ų106152.6 Ų152.688%0.87681%0.81SS**  -161.5121.3129.400000109.4
636R22.4Very low25.9Very low244 Ų244155 Ų15592%0.92181%0.813SS**  trans-79.8169.1177.9-90.1175.1166.9171.6-4.9111.6
637S27.1Very low25.7Very low100 Ų100152 Ų15270%0.69981%0.806SS**  trans82.591.4152.9590000119.6
638N25.1Very low25.4Very low165 Ų165151.7 Ų151.788%0.88280%0.804SS**  48.882116.9-60.62.9000117.2
639C22.7Very low25.4Very low134 Ų134155.7 Ų155.791%0.90581%0.808SS**  trans-96.388.7154.6-76.60000109.2
640E25.5Very low25.2Very low168 Ų168159.4 Ų159.479%0.78581%0.81SS**  trans-141.1108159.8-79.5-169.2169.600108.7
641Q29.2Very low25.2Very low194 Ų194158 Ų15891%0.90781%0.812SS**  trans-16077146.1-107.517423.100109.5
642N29.2Very low25.2Very low134 Ų134163.1 Ų163.172%0.71782%0.822SS**  trans24.9112.8132.5-61.8-24.2000118.5E644N642-E644 PolarHBondContact O-N 3.11Å
643F25.1Very low25.3Very low220 Ų220164.1 Ų164.197%0.96583%0.828SS**  trans-59.7105.9147.7-77.9-98.4000109.5
644E24.4Very low25.6Very low176 Ų176165.6 Ų165.682%0.82283%0.832SS**  trans-102.4131.9161.9-92.6-169.4164.500110.5N642N642-E644 PolarHBondContact O-N 3.11Å
645P24.5Very low25.5Very low114 Ų114168 Ų16874%0.7483%0.829SS**  trans-70130.9-178.327.6-31.5000110.9L647P645-L647 PolarHBondContact O-N 2.84Å
646K24.2Very low25.5Very low202 Ų202169.8 Ų169.888%0.87882%0.823SS**  trans-54.193.8177.2-80.2176.7174173.30111.7V648K646-V648 PolarHBondContact O-N 3.25Å; K646-V648 VanDerWaalsContact O-N 3.11Å
647L22.8Very low25.9Very low134 Ų134169 Ų16970%0.70284%0.836SS**  trans-66.5103.4157.8-85.5158.9000107.8P645 Y649P645-L647 PolarHBondContact O-N 2.84Å; L647-Y649 VanDerWaalsContact C-N 3.31Å; L647-Y649 HydrophobicContact CB-CD2 4.08Å; L647-Y649 HydrophobicContact CB-CE2 3.71Å; L647-Y649 HydrophobicContact CD1-CE2 4.47Å; L647-Y649 WeakPolarHBondContact O-CD2 3.34Å; L647-Y649 PolarHBondContact O-N 3.21Å
648V22.3Very low25.9Very low128 Ų128172.4 Ų172.478%0.77684%0.843SS**  trans-69.488.9175.2-179.20000108.5K646 R650K646-V648 PolarHBondContact O-N 3.25Å; K646-V648 VanDerWaalsContact O-N 3.11Å; V648-R650 PolarHBondContact O-N 2.91Å
649Y24.9Very low25.9Very low196 Ų196172.8 Ų172.877%0.76984%0.841SS**  trans-73.1105.1170-77.7-85.1000109.5L647 S651L647-Y649 VanDerWaalsContact C-N 3.31Å; L647-Y649 HydrophobicContact CB-CD2 4.08Å; L647-Y649 HydrophobicContact CB-CE2 3.71Å; L647-Y649 HydrophobicContact CD1-CE2 4.47Å; L647-Y649 WeakPolarHBondContact O-CD2 3.34Å; L647-Y649 PolarHBondContact O-N 3.21Å; Y649-S651 PolarHBondContact O-N 3.08Å; Y649-S651 VanDerWaalsContact O-N 3.08Å
650R22.5Very low26.1Very low233 Ų233174.9 Ų174.988%0.87984%0.838SS**  trans-69.595.3165.1-77.6-176.5174.2179.6-1.4108.8V648V648-R650 PolarHBondContact O-N 2.91Å
651S27.6Very low26.1Very low116 Ų116175.4 Ų175.481%0.81184%0.841SS**  trans-77.3126166.286.50000109.2Y649Y649-S651 PolarHBondContact O-N 3.08Å; Y649-S651 VanDerWaalsContact O-N 3.08Å
652R25.7Very low26Very low242 Ų242174.2 Ų174.291%0.91384%0.837SS**  trans-92.4116.5171.6-82179.6169.6174.9-3.2108.1
653N26.9Very low25.7Very low150 Ų150176.9 Ų176.980%0.80285%0.845SS**  trans18.8126.6156-67.4-10.1000120.3
654K29.7Very low25.8Very low202 Ų202173.8 Ų173.888%0.87884%0.836SS**  trans-176.1103.7131-99.2168.6-176.8-172.90107.5
655H25.2Very low25.9Very low169 Ų169173.6 Ų173.678%0.78284%0.837SS**  63.4128.288.7-94.6-58.7000115.6
656I28Very low26Very low144 Ų144178.6 Ų178.674%0.73885%0.845SS**  trans80.6117.1155.2-53.6150.6000112.7
657N32.4Very low26.2Very low227 Ų227176.5 Ų176.5100%1.21484%0.842SS**  cis-142.4014.3-99.7-28.7000109.8

Retrieved 657 of 657 residues in 597.8 ms (Link to these results)

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