A0A3Q0KE20_SCHMA Loading...

Putative short chain dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KE20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 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
1M37.5Very low74.3Confident236 Ų236113.5 Ų113.5100%1.16361%0.606SS**  0129.10-78.6177.8153.600108.9K3M1-K3 PolarHBondContact O-N 3.32Å
2P44.5Very low74.9Confident124 Ų124123.6 Ų123.681%0.80563%0.629SS**  trans-59.9130170.8-9.122.6000108.1I4P2-I4 PolarHBondContact O-N 2.98Å
3K52.6Low75.8Confident202 Ų202118.4 Ų118.488%0.87860%0.597SS**  trans-56.3112.4171.9-99.5176.3174.6172.30107.3M1 M5M1-K3 PolarHBondContact O-N 3.32Å; K3-M5 PolarHBondContact O-N 2.86Å
4I63.4Low77.1Confident157 Ų157113.8 Ų113.881%0.80557%0.571SS**  trans-56.1107.3172.8-64.4172.9000106.3P2 K6P2-I4 PolarHBondContact O-N 2.98Å; I4-K6 PolarHBondContact O-N 3.23Å
5M72.4Confident78.4Confident135 Ų135108.1 Ų108.167%0.66554%0.543SS*.  trans-61.1127.5-179.1-87.3-168.3-76.700108.5K3 E7 R88K3-M5 PolarHBondContact O-N 2.86Å; M5-E7 PolarHBondContact O-N 3.24Å; M5-E7 VanDerWaalsContact O-N 3.14Å; M5-R88 PolarHBondContact SD-NH2 3.14Å
6K88.9Confident79.5Confident141 Ų141101.3 Ų101.361%0.61351%0.509SS*.  trans-56.5121.2178.2-161-178.7-174.7173.70109.5I4 T8 I17 R88I4-K6 PolarHBondContact O-N 3.23Å; K6-T8 WeakPolarHBondContact CD-O 3.49Å; K6-T8 WeakPolarHBondContact CE-O 3.14Å; K6-T8 VanDerWaalsContact CG-O 3.28Å; K6-T8 WeakPolarHBondContact CG-O 3.23Å; K6-I17 VanDerWaalsContact O-CD1 3.23Å; K6-I17 WeakPolarHBondContact O-CD1 3.28Å; K6-R88 PolarHBondContact O-NH1 3.34Å
7E94.9Very high80.5Confident42 Ų4295.8 Ų95.820%0.19648%0.482CS..  trans-90.6-11-178.2-65.4-174.4136.800113.1M5 I17 I18 Y279 T283M5-E7 PolarHBondContact O-N 3.24Å; M5-E7 VanDerWaalsContact O-N 3.14Å; E7-I17 VanDerWaalsContact O-CG1 3.31Å; E7-I17 WeakPolarHBondContact O-CG1 3.37Å; E7-I17 PolarHBondContact O-N 3.1Å; E7-I18 HydrophobicContact CB-CD1 4.06Å; E7-I18 HydrophobicContact CB-CG1 3.75Å; E7-I18 HydrophobicContact CG-CD1 4.22Å; E7-I18 HydrophobicContact CG-CG1 3.98Å; E7-Y279 HydrophobicContact CB-CE2 3.83Å; E7-Y279 WeakPolarHBondContact OE2-CE2 3.32Å; E7-Y279 PolarHBondContact OE2-OH 3.26Å; E7-T283 VanDerWaalsContact CD-OG1 3.25Å; E7-T283 WeakPolarHBondContact OE1-CB 3.47Å; E7-T283 PolarHBondContact OE1-OG1 2.98Å; E7-T283 PolarHBondContact OE2-OG1 2.73Å; E7-T283 VanDerWaalsContact OE2-OG1 3.08Å
8T95.7Very high81.4Confident18 Ų1891.4 Ų91.411%0.1146%0.459CS..EExtended strand (participates in β ladder)trans-140.5151.6-176.364.10000112.9K6 K14 L15 Y279 C295K6-T8 WeakPolarHBondContact CD-O 3.49Å; K6-T8 WeakPolarHBondContact CE-O 3.14Å; K6-T8 VanDerWaalsContact CG-O 3.28Å; K6-T8 WeakPolarHBondContact CG-O 3.23Å; T8-K14 HydrophobicContact CG2-CB 4.39Å; T8-K14 HydrophobicContact CG2-CD 4.31Å; T8-L15 CarbonylContact C-O 3.6Å; T8-L15 WeakPolarHBondContact CA-O 3.4Å; T8-L15 WeakPolarHBondContact CB-O 3.38Å; T8-Y279 HydrophobicContact CG2-CD2 3.88Å; T8-Y279 HydrophobicContact CG2-CE2 3.98Å; T8-C295 HydrophobicContact CG2-CB 3.53Å
9I94.4Very high82.1Confident47 Ų4790.1 Ų90.124%0.24145%0.454CS..EExtended strand (participates in β ladder)trans-120.2161.9168.562.3176.8000111.1K14 L15 I17 A85 C86I9-K14 CarbonylContact O-C 3.53Å; I9-K14 WeakPolarHBondContact O-CA 3.17Å; I9-L15 HydrophobicContact CD1-CD1 4.31Å; I9-L15 HydrophobicContact CG1-CB 3.94Å; I9-L15 HydrophobicContact CG1-CD1 4.38Å; I9-L15 HydrophobicContact CG1-CG 4.48Å; I9-L15 PolarHBondContact N-O 2.83Å; I9-L15 PolarHBondContact O-N 3.06Å; I9-I17 HydrophobicContact CB-CG2 4.26Å; I9-I17 HydrophobicContact CD1-CG2 3.84Å; I9-I17 HydrophobicContact CG1-CG2 3.67Å; I9-I17 HydrophobicContact CG2-CD1 3.64Å; I9-I17 HydrophobicContact CG2-CG1 4.17Å; I9-I17 HydrophobicContact CG2-CG2 3.82Å; I9-A85 VanDerWaalsContact CD1-O 3.25Å; I9-A85 WeakPolarHBondContact CD1-O 3.48Å; I9-C86 HydrophobicContact CD1-CB 3.94Å
10G91.6Very high82.8Confident50 Ų5088.7 Ų88.752%0.51545%0.445SS..  trans90.8148.9-175.600000113
11S81.2Confident83.5Confident96 Ų9688.3 Ų88.367%0.67144%0.438SS*.SBendtrans-94.7-59.9-179.750.30000111.6
12W81.8Confident86.4Confident235 Ų23577.2 Ų77.289%0.8938%0.384SS*.SBendtrans-75.8-46.9-178-64.9101.7000112.6N294W12-N294 PolarHBondContact O-ND2 2.97Å
13R86.9Confident88.9Confident56 Ų5676 Ų7621%0.21137%0.37CS..SBendtrans-123.4114.2176.6-173.269-176.7168.72.3108.8P240 K272 N294R13-P240 PolarHBondContact NH2-O 3.43Å; R13-K272 PolarHBondContact NH2-O 2.7Å; R13-N294 WeakPolarHBondContact CA-OD1 3.47Å
14K94.1Very high91.1Very high54 Ų5469.1 Ų69.124%0.23536%0.357CS..PPolyproline II helixtrans-82135.1-179.3-71.9-177-177.1177.80110.7T8 I9 N294 C295 T296T8-K14 HydrophobicContact CG2-CB 4.39Å; T8-K14 HydrophobicContact CG2-CD 4.31Å; I9-K14 CarbonylContact O-C 3.53Å; I9-K14 WeakPolarHBondContact O-CA 3.17Å; K14-N294 WeakPolarHBondContact CD-O 3.49Å; K14-N294 PolarHBondContact N-OD1 2.78Å; K14-C295 HydrophobicContact CB-CB 4.09Å; K14-C295 HydrophobicContact CD-CB 4.47Å; K14-T296 PolarHBondContact NZ-OG1 3.2Å
15L95.5Very high92.7Very high28 Ų2864.6 Ų64.615%0.14733%0.331CS..EExtended strand (participates in β ladder)trans-103.8141.2167.9-53177.6000108.7T8 I9 A85 W271 K272 Q275T8-L15 CarbonylContact C-O 3.6Å; T8-L15 WeakPolarHBondContact CA-O 3.4Å; T8-L15 WeakPolarHBondContact CB-O 3.38Å; I9-L15 HydrophobicContact CD1-CD1 4.31Å; I9-L15 HydrophobicContact CG1-CB 3.94Å; I9-L15 HydrophobicContact CG1-CD1 4.38Å; I9-L15 HydrophobicContact CG1-CG 4.48Å; I9-L15 PolarHBondContact N-O 2.83Å; I9-L15 PolarHBondContact O-N 3.06Å; L15-A85 HydrophobicContact CB-CB 3.92Å; L15-A85 HydrophobicContact CD1-CB 4.21Å; L15-W271 HydrophobicContact CD1-CH2 3.89Å; L15-W271 HydrophobicContact CD1-CZ3 4.19Å; L15-W271 HydrophobicContact CD2-CH2 4.06Å; L15-W271 HydrophobicContact CD2-CZ3 3.88Å; L15-K272 HydrophobicContact CD2-CG 4.17Å; L15-Q275 HydrophobicContact CD2-CG 3.77Å
16C96.3Very high94Very high0 Ų059.2 Ų59.20%031%0.305CS..EExtended strand (participates in β ladder)trans-71.9128.3174.7-174.50000109.1A85 L278C16-A85 WeakPolarHBondContact O-CB 3.36Å; C16-L278 HydrophobicContact CB-CB 4.34Å
17I96.5Very high94.5Very high8 Ų852.5 Ų52.54%0.04128%0.276CS..  trans-121.820.6175.962.9153.7000112.8K6 E7 I9 N19 A85 C86 V89K6-I17 VanDerWaalsContact O-CD1 3.23Å; K6-I17 WeakPolarHBondContact O-CD1 3.28Å; E7-I17 VanDerWaalsContact O-CG1 3.31Å; E7-I17 WeakPolarHBondContact O-CG1 3.37Å; E7-I17 PolarHBondContact O-N 3.1Å; I9-I17 HydrophobicContact CB-CG2 4.26Å; I9-I17 HydrophobicContact CD1-CG2 3.84Å; I9-I17 HydrophobicContact CG1-CG2 3.67Å; I9-I17 HydrophobicContact CG2-CD1 3.64Å; I9-I17 HydrophobicContact CG2-CG1 4.17Å; I9-I17 HydrophobicContact CG2-CG2 3.82Å; I17-N19 PolarHBondContact O-N 3.13Å; I17-A85 HydrophobicContact CG2-CB 4.06Å; I17-C86 WeakPolarHBondContact CG2-SG 3.44Å; I17-V89 VanDerWaalsContact CA-CG1 3.46Å; I17-V89 HydrophobicContact CB-CG1 4.16Å
18I96.3Very high94.7Very high16 Ų1650.5 Ų50.58%0.08227%0.267CS..  trans-67120.9174.8-60.5169000107.7E7 K20 R47 Y279 L282E7-I18 HydrophobicContact CB-CD1 4.06Å; E7-I18 HydrophobicContact CB-CG1 3.75Å; E7-I18 HydrophobicContact CG-CD1 4.22Å; E7-I18 HydrophobicContact CG-CG1 3.98Å; I18-K20 HydrophobicContact CG2-CB 3.95Å; I18-K20 PolarHBondContact O-N 3.34Å; I18-R47 PolarHBondContact O-NH1 3.15Å; I18-R47 PolarHBondContact O-NH2 3.28Å; I18-R47 VanDerWaalsContact O-NH2 3.07Å; I18-Y279 HydrophobicContact CD1-CD2 3.96Å; I18-Y279 HydrophobicContact CD1-CE2 4.15Å; I18-L282 HydrophobicContact CB-CB 4.04Å; I18-L282 HydrophobicContact CD1-CB 3.96Å; I18-L282 HydrophobicContact CG2-CB 3.89Å
19N95.1Very high94.8Very high67 Ų6749.7 Ų49.736%0.35826%0.261SS..  trans-96.176.2-178.7-171.938.1000109.5I17 R88 S91 S92I17-N19 PolarHBondContact O-N 3.13Å; N19-R88 HydrophobicContact CB-CG 4.32Å; N19-R88 WeakPolarHBondContact CB-O 3.43Å; N19-R88 PolarHBondContact ND2-O 2.83Å; N19-R88 PolarHBondContact OD1-O 2.84Å; N19-S91 PolarHBondContact ND2-OG 2.87Å; N19-S91 PolarHBondContact OD1-OG 2.99Å; N19-S91 VanDerWaalsContact OD1-OG 3.06Å; N19-S92 WeakPolarHBondContact OD1-CB 3.25Å; N19-S92 PolarHBondContact OD1-N 3.37Å; N19-S92 PolarHBondContact OD1-OG 3.5Å
20K95.7Very high95Very high62 Ų6247.5 Ų47.527%0.2725%0.25SS..  trans-125.6133.8-177.1-178.4171.7-178.91780111I18 R47 L282 E284I18-K20 HydrophobicContact CG2-CB 3.95Å; I18-K20 PolarHBondContact O-N 3.34Å; K20-R47 PolarHBondContact O-NH1 2.64Å; K20-L282 HydrophobicContact CB-CD2 4.38Å; K20-E284 IonicContact NZ-OE1 3.11Å; K20-E284 PolarHBondContact NZ-OE1 3.33Å; K20-E284 IonicContact NZ-OE2 3.2Å
21R97.7Very high95.2Very high81 Ų8145.9 Ų45.931%0.30623%0.234SC..  trans-84.1152.5168.5-70.8-61.9-59.6171.4-3.5110.7D23 R46 R47 S92R21-D23 WeakPolarHBondContact CB-OD2 3.16Å; R21-D23 IonicContact CZ-OD1 3.79Å; R21-D23 IonicContact CZ-OD2 2.94Å; R21-D23 IonicContact NE-OD1 2.58Å; R21-D23 IonicContact NE-OD2 2.66Å; R21-D23 PolarHBondContact NE-OD2 2.93Å; R21-D23 IonicContact NH2-OD1 3.68Å; R21-D23 PolarHBondContact NH2-OD1 3.37Å; R21-D23 IonicContact NH2-OD2 3.03Å; R21-D23 PolarHBondContact NH2-OD2 2.84Å; R21-R46 PolarHBondContact NH1-O 3.46Å; R21-R47 CarbonylContact C-O 3.54Å; R21-R47 PolarHBondContact NE-O 3.44Å; R21-R47 PolarHBondContact NH1-O 3.41Å; R21-R47 PolarHBondContact NH2-O 3.2Å; R21-S92 WeakPolarHBondContact CD-O 3.31Å; R21-S92 PolarHBondContact NH1-O 3.44Å
22L98.2Very high95.9Very high3 Ų341.3 Ų41.32%0.01620%0.202CC..  trans-12828.3-179-61.2178.8000110.6G24 K25 L44 R47 G48 A49 F130 L282L22-G24 PolarHBondContact O-N 3.26Å; L22-K25 HydrophobicContact CB-CB 4.16Å; L22-K25 HydrophobicContact CB-CG 4.17Å; L22-K25 HydrophobicContact CD2-CG 4.43Å; L22-K25 WeakPolarHBondContact O-CB 3.43Å; L22-K25 WeakPolarHBondContact O-CG 3.32Å; L22-K25 PolarHBondContact O-N 3.07Å; L22-L44 HydrophobicContact CD1-CB 4.4Å; L22-L44 HydrophobicContact CD1-CD2 3.41Å; L22-L44 VanDerWaalsContact CD1-CD2 3.41Å; L22-L44 HydrophobicContact CD1-CG 4.49Å; L22-R47 WeakPolarHBondContact CA-O 3.06Å; L22-R47 HydrophobicContact CB-CB 4.27Å; L22-R47 HydrophobicContact CD1-CB 4.09Å; L22-R47 HydrophobicContact CG-CB 4.06Å; L22-R47 PolarHBondContact N-O 2.75Å; L22-G48 CarbonylContact O-C 3.51Å; L22-A49 HydrophobicContact CB-CB 3.91Å; L22-A49 HydrophobicContact CD1-CB 4.3Å; L22-A49 WeakPolarHBondContact O-CA 3.21Å; L22-A49 PolarHBondContact O-N 3.08Å; L22-F130 HydrophobicContact CD1-CE2 4.47Å; L22-F130 HydrophobicContact CD2-CE2 4.04Å; L22-F130 HydrophobicContact CD2-CZ 3.87Å; L22-L282 HydrophobicContact CD1-CD2 4Å; L22-L282 HydrophobicContact CD2-CD2 4.12Å; L22-L282 HydrophobicContact CG-CD2 4.2Å
23D98.1Very high96.6Very high97 Ų9732.1 Ų32.152%0.51917%0.17SC..THydrogen-bonded Turntrans-56.6133.7177-61.8-63.1000110.7R21 K25R21-D23 WeakPolarHBondContact CB-OD2 3.16Å; R21-D23 IonicContact CZ-OD1 3.79Å; R21-D23 IonicContact CZ-OD2 2.94Å; R21-D23 IonicContact NE-OD1 2.58Å; R21-D23 IonicContact NE-OD2 2.66Å; R21-D23 PolarHBondContact NE-OD2 2.93Å; R21-D23 IonicContact NH2-OD1 3.68Å; R21-D23 PolarHBondContact NH2-OD1 3.37Å; R21-D23 IonicContact NH2-OD2 3.03Å; R21-D23 PolarHBondContact NH2-OD2 2.84Å; D23-K25 PolarHBondContact O-N 2.7Å
24G97.6Very high96.9Very high58 Ų5832.5 Ų32.560%0.59818%0.179SC*.THydrogen-bonded Turntrans71.86.8-177.400000115.4L22L22-G24 PolarHBondContact O-N 3.26Å
25K98.7Very high96.8Very high63 Ų6330.7 Ų30.727%0.27418%0.175SC..  trans-94145175.2-57.6-65.5-174.4178.60111.5L22 D23 A49 T50 D129 F130L22-K25 HydrophobicContact CB-CB 4.16Å; L22-K25 HydrophobicContact CB-CG 4.17Å; L22-K25 HydrophobicContact CD2-CG 4.43Å; L22-K25 WeakPolarHBondContact O-CB 3.43Å; L22-K25 WeakPolarHBondContact O-CG 3.32Å; L22-K25 PolarHBondContact O-N 3.07Å; D23-K25 PolarHBondContact O-N 2.7Å; K25-A49 CarbonylContact O-C 3.6Å; K25-A49 WeakPolarHBondContact O-CA 3.21Å; K25-T50 PolarHBondContact O-N 3.01Å; K25-D129 WeakPolarHBondContact CA-OD2 3.5Å; K25-D129 HydrophobicContact CB-CB 4.2Å; K25-D129 HydrophobicContact CD-CB 3.9Å; K25-D129 WeakPolarHBondContact CD-OD1 3.49Å; K25-D129 WeakPolarHBondContact CE-OD1 3.25Å; K25-D129 IonicContact NZ-OD1 2.64Å; K25-D129 PolarHBondContact NZ-OD1 3.02Å; K25-F130 HydrophobicContact CB-CE2 3.98Å; K25-F130 HydrophobicContact CG-CE2 4.31Å
26I98.9Very high96.7Very high22 Ų2230.1 Ų30.111%0.11317%0.172CC..EExtended strand (participates in β ladder)trans-116127.2180-49.5-179.1000109.7T50 I52 Y125 I128 D129 F130I26-T50 WeakPolarHBondContact CA-O 3.44Å; I26-I52 HydrophobicContact CG2-CD1 3.69Å; I26-I52 HydrophobicContact CG2-CG1 4.28Å; I26-Y125 HydrophobicContact CD1-CD1 3.53Å; I26-Y125 HydrophobicContact CD1-CE1 4Å; I26-Y125 HydrophobicContact CD1-CG 4.45Å; I26-I128 HydrophobicContact CB-CD1 4.34Å; I26-I128 HydrophobicContact CG2-CD1 3.71Å; I26-D129 PolarHBondContact N-OD2 2.94Å; I26-D129 PolarHBondContact O-N 2.87Å; I26-F130 PolarHBondContact O-N 3.03Å; I26-F130 VanDerWaalsContact O-N 3.08Å
27A98.9Very high96.7Very high0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-122.1128.9178.800000111.5L44 T50 I51 I52 F130A27-L44 HydrophobicContact CB-CD1 4.26Å; A27-T50 PolarHBondContact N-O 2.99Å; A27-I51 HydrophobicContact CB-CD1 3.93Å; A27-I51 WeakPolarHBondContact O-CA 3.34Å; A27-I52 PolarHBondContact O-N 2.84Å; A27-F130 CarbonylContact C-O 3.55Å; A27-F130 WeakPolarHBondContact CA-O 3.35Å; A27-F130 HydrophobicContact CB-CB 3.83Å; A27-F130 HydrophobicContact CB-CD2 4.23Å; A27-F130 HydrophobicContact CB-CG 4.44Å
28I99Very high96.8Very high0 Ų030 Ų300%017%0.172CC..EExtended strand (participates in β ladder)trans-92.6123.5165.2-64.2169.8000107.9I52 A54 F117 I121 I128 F130 L131 I132 L167I28-I52 HydrophobicContact CD1-CD1 4.38Å; I28-I52 HydrophobicContact CG1-CB 3.9Å; I28-I52 HydrophobicContact CG1-CD1 3.76Å; I28-I52 HydrophobicContact CG1-CG1 4.43Å; I28-I52 HydrophobicContact CG1-CG2 4.15Å; I28-A54 HydrophobicContact CG2-CB 4Å; I28-F117 HydrophobicContact CD1-CE1 4.27Å; I28-F117 HydrophobicContact CD1-CZ 4.18Å; I28-F117 HydrophobicContact CG2-CZ 4Å; I28-I121 HydrophobicContact CD1-CG1 4.46Å; I28-I121 HydrophobicContact CD1-CG2 4.25Å; I28-I128 HydrophobicContact CD1-CD1 3.89Å; I28-I128 HydrophobicContact CD1-CG1 4Å; I28-I128 HydrophobicContact CD1-CG2 4.05Å; I28-I128 HydrophobicContact CG1-CD1 4.12Å; I28-I128 HydrophobicContact CG1-CG2 4.2Å; I28-F130 PolarHBondContact N-O 3.16Å; I28-L131 HydrophobicContact CB-CD1 4.02Å; I28-L131 HydrophobicContact CG2-CD1 3.91Å; I28-I132 PolarHBondContact O-N 3.35Å; I28-L167 HydrophobicContact CD1-CD1 3.7Å; I28-L167 HydrophobicContact CD1-CD2 4.35Å
29V98.9Very high96.8Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-120.9112.2174.8-168.20000109.1C32 A41 L44 I51 I52 A54 I132 N134V29-C32 HydrophobicContact CB-CB 3.99Å; V29-C32 HydrophobicContact CG1-CB 3.71Å; V29-A41 HydrophobicContact CG2-CB 4.49Å; V29-L44 HydrophobicContact CG2-CD1 4.41Å; V29-I51 HydrophobicContact CG2-CG2 4.11Å; V29-I52 PolarHBondContact N-O 2.73Å; V29-A54 PolarHBondContact O-N 3.25Å; V29-I132 HydrophobicContact CG1-CB 4.28Å; V29-I132 HydrophobicContact CG1-CG2 4.36Å; V29-I132 HydrophobicContact CG2-CB 4.36Å; V29-I132 HydrophobicContact CG2-CD1 4.17Å; V29-N134 HydrophobicContact CG1-CB 4.46Å
30T98.8Very high97Very high1 Ų127.3 Ų27.31%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-78137.6179.159.40000111C32 A54 L106 I132 N133 N134 A135 L163T30-C32 VanDerWaalsContact C-N 3.33Å; T30-C32 PolarHBondContact O-N 2.91Å; T30-A54 WeakPolarHBondContact CA-O 3.42Å; T30-A54 HydrophobicContact CG2-CB 4.4Å; T30-L106 HydrophobicContact CG2-CD2 3.79Å; T30-I132 PolarHBondContact N-O 3.27Å; T30-I132 PolarHBondContact OG1-O 2.95Å; T30-I132 VanDerWaalsContact OG1-O 3.08Å; T30-N133 WeakPolarHBondContact OG1-CA 3.5Å; T30-N134 WeakPolarHBondContact O-CB 3.32Å; T30-N134 PolarHBondContact O-ND2 3.17Å; T30-N134 PolarHBondContact OG1-N 2.87Å; T30-A135 PolarHBondContact O-N 2.88Å; T30-A135 VanDerWaalsContact O-N 3.15Å; T30-A135 PolarHBondContact OG1-N 2.8Å; T30-L163 HydrophobicContact CG2-CD2 3.79Å
31G95.5Very high97.1Very high17 Ų1724.3 Ų24.318%0.17514%0.143CC..THydrogen-bonded Turntrans62.438.3175.600000113.4N33 A54 N134G31-N33 VanDerWaalsContact C-N 3.32Å; G31-A54 PolarHBondContact N-O 2.76Å; G31-N134 PolarHBondContact O-ND2 2.83Å
32C96.6Very high97.1Very high0 Ų020.5 Ų20.50%013%0.129CC..THydrogen-bonded Turntrans-9011.5-178.269.20000114.3V29 T30 T34 G37 F38 A41 M53V29-C32 HydrophobicContact CB-CB 3.99Å; V29-C32 HydrophobicContact CG1-CB 3.71Å; T30-C32 VanDerWaalsContact C-N 3.33Å; T30-C32 PolarHBondContact O-N 2.91Å; C32-T34 PolarHBondContact O-N 2.89Å; C32-G37 WeakPolarHBondContact CB-O 3.42Å; C32-F38 VanDerWaalsContact O-CA 3.27Å; C32-F38 WeakPolarHBondContact O-CA 3.35Å; C32-A41 HydrophobicContact CB-CB 3.99Å; C32-M53 VanDerWaalsContact SG-CA 3.5Å; C32-M53 VanDerWaalsContact SG-CB 3.5Å
33N94.8Very high97.1Very high41 Ų4120.6 Ų20.622%0.21913%0.129CC..THydrogen-bonded Turntrans-75.4-6.5174.367.6-65.6000113.1G31 A64G31-N33 VanDerWaalsContact C-N 3.32Å; N33-A64 HydrophobicContact CB-CB 3.99Å
34T93.4Very high97.1Very high64 Ų6416 Ų1639%0.39311%0.105SC..SBendtrans-158.4171.6177.1-1710000112.1C32 F38C32-T34 PolarHBondContact O-N 2.89Å; T34-F38 PolarHBondContact O-N 3.06Å; T34-F38 VanDerWaalsContact O-N 3.13Å
35G92.2Very high97.2Very high16 Ų1613.2 Ų13.217%0.1658%0.077CC..Hα-helixtrans59-140.8165.700000114.6G37 F38 H39G35-G37 VanDerWaalsContact C-N 3.29Å; G35-G37 PolarHBondContact O-N 3.17Å; G35-F38 WeakPolarHBondContact O-CB 3.5Å; G35-F38 PolarHBondContact O-N 3.42Å; G35-H39 PolarHBondContact O-CD2 2.9Å; G35-H39 PolarHBondContact O-N 2.93Å
36I94.4Very high97.2Very high17 Ų1710.3 Ų10.39%0.0876%0.064CC..Hα-helixtrans-61-40.4-177.5-64.2156000111.1F38 H39 T40 P240 T243 A274I36-F38 VanDerWaalsContact C-N 3.31Å; I36-F38 PolarHBondContact O-N 3.06Å; I36-H39 PolarHBondContact O-N 3.15Å; I36-T40 WeakPolarHBondContact O-CB 3.24Å; I36-T40 PolarHBondContact O-N 2.98Å; I36-T40 PolarHBondContact O-OG1 3.48Å; I36-P240 HydrophobicContact CD1-CB 3.54Å; I36-P240 HydrophobicContact CD1-CG 3.59Å; I36-P240 HydrophobicContact CG1-CB 4.4Å; I36-T243 HydrophobicContact CD1-CG2 3.95Å; I36-T243 HydrophobicContact CG1-CG2 3.98Å; I36-A274 HydrophobicContact CG2-CB 4.19Å
37G96.2Very high97.1Very high0 Ų09.3 Ų9.30%06%0.059CC..Hα-helixtrans-61.2-40.4179.300000112.4C32 G35 T40 A41 N134C32-G37 WeakPolarHBondContact CB-O 3.42Å; G35-G37 VanDerWaalsContact C-N 3.29Å; G35-G37 PolarHBondContact O-N 3.17Å; G37-T40 PolarHBondContact O-N 3.26Å; G37-A41 WeakPolarHBondContact O-CB 3.01Å; G37-A41 PolarHBondContact O-N 2.89Å; G37-N134 VanDerWaalsContact CA-ND2 3.27Å; G37-N134 WeakPolarHBondContact CA-ND2 3.43Å; G37-N134 PolarHBondContact N-OD1 3.08Å
38F97.3Very high97.1Very high5 Ų59.8 Ų9.82%0.0226%0.064CC..Hα-helixtrans-59.3-49.9176.5179.1-89.1000112.3C32 T34 G35 I36 T40 A41 S42 A64 R67 L68 M71 Y72C32-F38 VanDerWaalsContact O-CA 3.27Å; C32-F38 WeakPolarHBondContact O-CA 3.35Å; T34-F38 PolarHBondContact O-N 3.06Å; T34-F38 VanDerWaalsContact O-N 3.13Å; G35-F38 WeakPolarHBondContact O-CB 3.5Å; G35-F38 PolarHBondContact O-N 3.42Å; I36-F38 VanDerWaalsContact C-N 3.31Å; I36-F38 PolarHBondContact O-N 3.06Å; F38-T40 VanDerWaalsContact C-N 3.35Å; F38-A41 PolarHBondContact O-N 2.92Å; F38-S42 PolarHBondContact O-N 3.15Å; F38-A64 HydrophobicContact CD2-CB 4.18Å; F38-A64 HydrophobicContact CE2-CB 4.25Å; F38-A64 WeakPolarHBondContact CE2-O 3.38Å; F38-R67 HydrophobicContact CE2-CB 4.15Å; F38-R67 HydrophobicContact CZ-CB 4.1Å; F38-L68 HydrophobicContact CD1-CD2 4.28Å; F38-L68 HydrophobicContact CD2-CD2 4.15Å; F38-L68 HydrophobicContact CD2-CG 4.15Å; F38-L68 HydrophobicContact CE1-CD2 3.84Å; F38-L68 HydrophobicContact CE2-CD1 4.42Å; F38-L68 HydrophobicContact CE2-CD2 3.71Å; F38-L68 HydrophobicContact CE2-CG 3.55Å; F38-L68 HydrophobicContact CG-CD2 4.42Å; F38-L68 HydrophobicContact CZ-CD2 3.53Å; F38-L68 HydrophobicContact CZ-CG 3.77Å; F38-M71 HydrophobicContact CE1-SD 4Å; F38-M71 HydrophobicContact CZ-SD 4.04Å; F38-Y72 HydrophobicContact CE1-CE2 4.12Å
39H97.2Very high97.1Very high26 Ų269.8 Ų9.812%0.126%0.064CC..Hα-helixtrans-74.3-25.8178.8-68.9-85.9000113.2G35 I36 S42 E43 Y72 D83 W271 A274G35-H39 PolarHBondContact O-CD2 2.9Å; G35-H39 PolarHBondContact O-N 2.93Å; I36-H39 PolarHBondContact O-N 3.15Å; H39-S42 WeakPolarHBondContact CA-OG 3.08Å; H39-S42 PolarHBondContact O-OG 2.79Å; H39-S42 VanDerWaalsContact O-OG 3.04Å; H39-E43 PolarHBondContact O-N 3.41Å; H39-E43 VanDerWaalsContact O-N 3.16Å; H39-Y72 PolarHBondContact ND1-OH 2.78Å; H39-D83 IonicContact CE1-OD2 3.16Å; H39-D83 PolarHBondContact CE1-OD2 2.89Å; H39-D83 IonicContact ND1-OD2 2.79Å; H39-D83 PolarHBondContact ND1-OD2 2.91Å; H39-D83 VanDerWaalsContact ND1-OD2 3.11Å; H39-W271 HydrophobicContact CB-CB 4.43Å; H39-W271 PolarHBondContact CD2-N 2.71Å; H39-W271 AromaticContact ND1-CD1 3.77Å; H39-A274 HydrophobicContact CB-CB 3.95Å
40T98.2Very high97.1Very high0 Ų011.6 Ų11.60%08%0.075CC..Hα-helixtrans-65.6-49.9171-57.60000109.9I36 G37 F38 S42 E43 L44 I132 T277I36-T40 WeakPolarHBondContact O-CB 3.24Å; I36-T40 PolarHBondContact O-N 2.98Å; I36-T40 PolarHBondContact O-OG1 3.48Å; G37-T40 PolarHBondContact O-N 3.26Å; F38-T40 VanDerWaalsContact C-N 3.35Å; T40-S42 VanDerWaalsContact C-N 3.34Å; T40-S42 PolarHBondContact O-N 2.79Å; T40-E43 PolarHBondContact O-N 3.28Å; T40-L44 HydrophobicContact CG2-CD1 3.98Å; T40-L44 VanDerWaalsContact O-CG 3.25Å; T40-L44 WeakPolarHBondContact O-CG 3.33Å; T40-L44 PolarHBondContact O-N 3.1Å; T40-L44 VanDerWaalsContact O-N 3.15Å; T40-I132 HydrophobicContact CG2-CD1 3.66Å; T40-I132 HydrophobicContact CG2-CG2 4.48Å; T40-T277 HydrophobicContact CG2-CG2 3.61Å
41A98.6Very high97.1Very high0 Ų011.6 Ų11.60%08%0.075CC..Hα-helixtrans-59.5-43.817600000111.8V29 C32 G37 F38 E43 A45 I51V29-A41 HydrophobicContact CG2-CB 4.49Å; C32-A41 HydrophobicContact CB-CB 3.99Å; G37-A41 WeakPolarHBondContact O-CB 3.01Å; G37-A41 PolarHBondContact O-N 2.89Å; F38-A41 PolarHBondContact O-N 2.92Å; A41-E43 PolarHBondContact O-N 3.01Å; A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.4Å; A41-A45 PolarHBondContact O-N 3.19Å; A41-I51 HydrophobicContact CB-CG2 3.94Å
42S98.2Very high97.2Very high1 Ų110.8 Ų10.81%0.0077%0.066CC..Hα-helixtrans-60.2-48.9-179.479.30000112.2F38 H39 T40 A45 R46F38-S42 PolarHBondContact O-N 3.15Å; H39-S42 WeakPolarHBondContact CA-OG 3.08Å; H39-S42 PolarHBondContact O-OG 2.79Å; H39-S42 VanDerWaalsContact O-OG 3.04Å; T40-S42 VanDerWaalsContact C-N 3.34Å; T40-S42 PolarHBondContact O-N 2.79Å; S42-A45 PolarHBondContact O-N 3.28Å; S42-R46 WeakPolarHBondContact O-CB 3.46Å; S42-R46 VanDerWaalsContact O-CG 3.23Å; S42-R46 WeakPolarHBondContact O-CG 3.49Å; S42-R46 PolarHBondContact O-N 2.92Å
43E98.1Very high97.4Very high4 Ų410.8 Ų10.82%0.0197%0.066CC..Hα-helixtrans-72.9-35.2-175.5-168.8173.614500111.8H39 T40 A41 R46 R47 L93 L278H39-E43 PolarHBondContact O-N 3.41Å; H39-E43 VanDerWaalsContact O-N 3.16Å; T40-E43 PolarHBondContact O-N 3.28Å; A41-E43 PolarHBondContact O-N 3.01Å; E43-R46 PolarHBondContact O-N 3.33Å; E43-R47 WeakPolarHBondContact O-CB 3.43Å; E43-R47 WeakPolarHBondContact O-CD 3.49Å; E43-R47 WeakPolarHBondContact O-CG 3.35Å; E43-R47 PolarHBondContact O-N 3.02Å; E43-R47 IonicContact OE1-CZ 3.52Å; E43-R47 IonicContact OE1-NE 3.06Å; E43-R47 PolarHBondContact OE1-NE 2.89Å; E43-R47 IonicContact OE1-NH2 3.84Å; E43-R47 PolarHBondContact OE1-NH2 2.84Å; E43-L93 HydrophobicContact CG-CD2 3.91Å; E43-L278 HydrophobicContact CB-CD1 4.03Å; E43-L278 HydrophobicContact CB-CD2 3.74Å; E43-L278 HydrophobicContact CG-CD1 4.17Å; E43-L278 HydrophobicContact CG-CD2 4.02Å; E43-L278 WeakPolarHBondContact OE2-CD1 3.33Å
44L98.7Very high97.5Very high0 Ų08.9 Ų8.90%06%0.057CC..Hα-helixtrans-63.9-42.8172.5-64.6174.3000111.8L22 A27 V29 T40 R47 G48 A49 I51 I132 L278 A281L22-L44 HydrophobicContact CD1-CB 4.4Å; L22-L44 HydrophobicContact CD1-CD2 3.41Å; L22-L44 VanDerWaalsContact CD1-CD2 3.41Å; L22-L44 HydrophobicContact CD1-CG 4.49Å; A27-L44 HydrophobicContact CB-CD1 4.26Å; V29-L44 HydrophobicContact CG2-CD1 4.41Å; T40-L44 HydrophobicContact CG2-CD1 3.98Å; T40-L44 VanDerWaalsContact O-CG 3.25Å; T40-L44 WeakPolarHBondContact O-CG 3.33Å; T40-L44 PolarHBondContact O-N 3.1Å; T40-L44 VanDerWaalsContact O-N 3.15Å; L44-R47 CarbonylContact O-C 3.22Å; L44-R47 WeakPolarHBondContact O-CA 3.36Å; L44-R47 WeakPolarHBondContact O-CB 3.42Å; L44-R47 PolarHBondContact O-N 2.72Å; L44-R47 VanDerWaalsContact O-N 3.16Å; L44-G48 PolarHBondContact O-N 2.88Å; L44-A49 HydrophobicContact CB-CB 4.41Å; L44-A49 WeakPolarHBondContact O-CB 3.48Å; L44-A49 PolarHBondContact O-N 3.34Å; L44-A49 VanDerWaalsContact O-N 3.13Å; L44-I51 HydrophobicContact CB-CD1 3.6Å; L44-I132 HydrophobicContact CD1-CD1 3.52Å; L44-L278 HydrophobicContact CD2-CD2 4.16Å; L44-L278 HydrophobicContact CG-CD2 4.22Å; L44-A281 HydrophobicContact CD2-CB 4.12Å
45A98.6Very high97.8Very high1 Ų16 Ų61%0.0084%0.039CC..Hα-helixtrans-63.5-45.2175.200000111.8A41 S42 R47 G48 I51 I96 Q100 L101A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.4Å; A41-A45 PolarHBondContact O-N 3.19Å; S42-A45 PolarHBondContact O-N 3.28Å; A45-R47 PolarHBondContact O-N 3.21Å; A45-G48 WeakPolarHBondContact O-CA 3.19Å; A45-G48 PolarHBondContact O-N 3.22Å; A45-I51 HydrophobicContact CB-CD1 4.45Å; A45-I51 HydrophobicContact CB-CG1 3.7Å; A45-I96 HydrophobicContact CB-CD1 3.74Å; A45-I96 HydrophobicContact CB-CG1 3.87Å; A45-I96 HydrophobicContact CB-CG2 4.02Å; A45-Q100 PolarHBondContact O-NE2 3.15Å; A45-L101 HydrophobicContact CB-CD2 3.99Å
46R98.1Very high98Very high2 Ų212.1 Ų12.11%0.0086%0.057CC..Hα-helixtrans-60.2-27.8174.8-71.4172.476.1-165.14111.9R21 S42 E43 G48 S79 T82 L93 K94 I96R21-R46 PolarHBondContact NH1-O 3.46Å; S42-R46 WeakPolarHBondContact O-CB 3.46Å; S42-R46 VanDerWaalsContact O-CG 3.23Å; S42-R46 WeakPolarHBondContact O-CG 3.49Å; S42-R46 PolarHBondContact O-N 2.92Å; E43-R46 PolarHBondContact O-N 3.33Å; R46-G48 VanDerWaalsContact C-N 3.27Å; R46-S79 PolarHBondContact NH2-O 2.68Å; R46-T82 PolarHBondContact NH1-O 2.84Å; R46-T82 PolarHBondContact NH2-O 2.9Å; R46-L93 HydrophobicContact CB-CB 4.49Å; R46-L93 HydrophobicContact CB-CD2 3.97Å; R46-K94 VanDerWaalsContact CA-O 3.31Å; R46-K94 WeakPolarHBondContact CA-O 3.38Å; R46-K94 WeakPolarHBondContact CB-O 3.14Å; R46-K94 WeakPolarHBondContact CG-O 3.47Å; R46-K94 PolarHBondContact O-N 2.75Å; R46-I96 HydrophobicContact CG-CD1 3.94Å; R46-I96 HydrophobicContact CG-CG1 3.59Å
47R98Very high98.1Very high0 Ų014.4 Ų14.40%07%0.069CC..THydrogen-bonded Turntrans-80.71.7172.6-69.9170.2-177.3-74.3-0.1114.1I18 K20 R21 L22 E43 L44 A45 S92 L93I18-R47 PolarHBondContact O-NH1 3.15Å; I18-R47 PolarHBondContact O-NH2 3.28Å; I18-R47 VanDerWaalsContact O-NH2 3.07Å; K20-R47 PolarHBondContact O-NH1 2.64Å; R21-R47 CarbonylContact C-O 3.54Å; R21-R47 PolarHBondContact NE-O 3.44Å; R21-R47 PolarHBondContact NH1-O 3.41Å; R21-R47 PolarHBondContact NH2-O 3.2Å; L22-R47 WeakPolarHBondContact CA-O 3.06Å; L22-R47 HydrophobicContact CB-CB 4.27Å; L22-R47 HydrophobicContact CD1-CB 4.09Å; L22-R47 HydrophobicContact CG-CB 4.06Å; L22-R47 PolarHBondContact N-O 2.75Å; E43-R47 WeakPolarHBondContact O-CB 3.43Å; E43-R47 WeakPolarHBondContact O-CD 3.49Å; E43-R47 WeakPolarHBondContact O-CG 3.35Å; E43-R47 PolarHBondContact O-N 3.02Å; E43-R47 IonicContact OE1-CZ 3.52Å; E43-R47 IonicContact OE1-NE 3.06Å; E43-R47 PolarHBondContact OE1-NE 2.89Å; E43-R47 IonicContact OE1-NH2 3.84Å; E43-R47 PolarHBondContact OE1-NH2 2.84Å; L44-R47 CarbonylContact O-C 3.22Å; L44-R47 WeakPolarHBondContact O-CA 3.36Å; L44-R47 WeakPolarHBondContact O-CB 3.42Å; L44-R47 PolarHBondContact O-N 2.72Å; L44-R47 VanDerWaalsContact O-N 3.16Å; A45-R47 PolarHBondContact O-N 3.21Å; R47-S92 WeakPolarHBondContact CA-O 3.26Å; R47-S92 PolarHBondContact NH1-OG 3.5Å; R47-L93 HydrophobicContact CG-CD2 4.01Å
48G98.2Very high98.2Very high11 Ų1117.5 Ų17.511%0.1138%0.084CC..THydrogen-bonded Turntrans99.9-2.8173.500000115.4L22 L44 A45 R46L22-G48 CarbonylContact O-C 3.51Å; L44-G48 PolarHBondContact O-N 2.88Å; A45-G48 WeakPolarHBondContact O-CA 3.19Å; A45-G48 PolarHBondContact O-N 3.22Å; R46-G48 VanDerWaalsContact C-N 3.27Å
49A98.8Very high98.2Very high0 Ų023.7 Ų23.70%011%0.113CC..  trans-69.1149.4177.700000111.1L22 K25 L44 I51 Q100L22-A49 HydrophobicContact CB-CB 3.91Å; L22-A49 HydrophobicContact CD1-CB 4.3Å; L22-A49 WeakPolarHBondContact O-CA 3.21Å; L22-A49 PolarHBondContact O-N 3.08Å; K25-A49 CarbonylContact O-C 3.6Å; K25-A49 WeakPolarHBondContact O-CA 3.21Å; L44-A49 HydrophobicContact CB-CB 4.41Å; L44-A49 WeakPolarHBondContact O-CB 3.48Å; L44-A49 PolarHBondContact O-N 3.34Å; L44-A49 VanDerWaalsContact O-N 3.13Å; A49-I51 HydrophobicContact CB-CD1 3.86Å; A49-Q100 PolarHBondContact O-NE2 2.88Å; A49-Q100 VanDerWaalsContact O-NE2 3.09Å
50T98.9Very high98.2Very high38 Ų3828 Ų2823%0.23313%0.129CC..EExtended strand (participates in β ladder)trans-80.7127.4160.2-60.60000108.4K25 I26 A27 I102K25-T50 PolarHBondContact O-N 3.01Å; I26-T50 WeakPolarHBondContact CA-O 3.44Å; A27-T50 PolarHBondContact N-O 2.99Å; T50-I102 HydrophobicContact CG2-CD1 3.47Å; T50-I102 VanDerWaalsContact CG2-CD1 3.47Å; T50-I102 HydrophobicContact CG2-CG1 4.14Å
51I98.9Very high98.2Very high0 Ų028 Ų280%013%0.129CC..EExtended strand (participates in β ladder)trans-108117.8-178.4-49.6-54.4000109.8A27 V29 A41 L44 A45 A49 M53 Q100 L101 I102A27-I51 HydrophobicContact CB-CD1 3.93Å; A27-I51 WeakPolarHBondContact O-CA 3.34Å; V29-I51 HydrophobicContact CG2-CG2 4.11Å; A41-I51 HydrophobicContact CB-CG2 3.94Å; L44-I51 HydrophobicContact CB-CD1 3.6Å; A45-I51 HydrophobicContact CB-CD1 4.45Å; A45-I51 HydrophobicContact CB-CG1 3.7Å; A49-I51 HydrophobicContact CB-CD1 3.86Å; I51-M53 HydrophobicContact CG2-CG 4Å; I51-M53 PolarHBondContact O-N 2.85Å; I51-Q100 PolarHBondContact N-O 2.86Å; I51-L101 HydrophobicContact CB-CD2 4.11Å; I51-L101 HydrophobicContact CG1-CD2 4.24Å; I51-I102 PolarHBondContact O-N 3.24Å
52I98.9Very high98.2Very high0 Ų030.9 Ų30.90%014%0.144CC..EExtended strand (participates in β ladder)trans-85.5102.1164.3-62162.7000107.1I26 A27 I28 V29 A54 I102 E104 F117 I121 Y125 I128I26-I52 HydrophobicContact CG2-CD1 3.69Å; I26-I52 HydrophobicContact CG2-CG1 4.28Å; A27-I52 PolarHBondContact O-N 2.84Å; I28-I52 HydrophobicContact CD1-CD1 4.38Å; I28-I52 HydrophobicContact CG1-CB 3.9Å; I28-I52 HydrophobicContact CG1-CD1 3.76Å; I28-I52 HydrophobicContact CG1-CG1 4.43Å; I28-I52 HydrophobicContact CG1-CG2 4.15Å; V29-I52 PolarHBondContact N-O 2.73Å; I52-A54 PolarHBondContact O-N 3.19Å; I52-A54 VanDerWaalsContact O-N 3.11Å; I52-I102 CarbonylContact C-O 3.32Å; I52-I102 WeakPolarHBondContact CA-O 3.45Å; I52-E104 HydrophobicContact CG2-CB 4.03Å; I52-E104 HydrophobicContact CG2-CG 3.77Å; I52-F117 HydrophobicContact CG2-CE2 4.25Å; I52-F117 HydrophobicContact CG2-CZ 4.23Å; I52-I121 HydrophobicContact CD1-CD1 4.09Å; I52-I121 HydrophobicContact CG2-CD1 4.05Å; I52-Y125 HydrophobicContact CD1-CD2 4.09Å; I52-Y125 HydrophobicContact CD1-CE2 3.7Å; I52-Y125 HydrophobicContact CG1-CE2 4.37Å; I52-I128 HydrophobicContact CD1-CD1 3.85Å
53M98.8Very high98.2Very high0 Ų035.9 Ų35.90%017%0.167CC..EExtended strand (participates in β ladder)trans-77.787.4176.9-62.1-178.968.400109.5C32 I51 C55 A64 R65 L68 L101 I102 I103 E104C32-M53 VanDerWaalsContact SG-CA 3.5Å; C32-M53 VanDerWaalsContact SG-CB 3.5Å; I51-M53 HydrophobicContact CG2-CG 4Å; I51-M53 PolarHBondContact O-N 2.85Å; M53-C55 PolarHBondContact O-N 2.72Å; M53-A64 HydrophobicContact CE-CB 4.11Å; M53-R65 HydrophobicContact CE-CB 4.42Å; M53-R65 HydrophobicContact SD-CB 4.17Å; M53-L68 HydrophobicContact CE-CD1 3.85Å; M53-L68 HydrophobicContact SD-CD1 4.12Å; M53-L101 HydrophobicContact SD-CB 4.03Å; M53-L101 HydrophobicContact SD-CD2 4.34Å; M53-I102 PolarHBondContact N-O 3.03Å; M53-I103 HydrophobicContact SD-CG1 4.48Å; M53-E104 PolarHBondContact O-N 3.46Å; M53-E104 VanDerWaalsContact O-N 3.12Å
54A98.8Very high98.2Very high2 Ų235.8 Ų35.82%0.01717%0.167CC..EExtended strand (participates in β ladder)trans-84.8103-176.800000110.7I28 V29 T30 G31 I52 E104 L106 F117I28-A54 HydrophobicContact CG2-CB 4Å; V29-A54 PolarHBondContact O-N 3.25Å; T30-A54 WeakPolarHBondContact CA-O 3.42Å; T30-A54 HydrophobicContact CG2-CB 4.4Å; G31-A54 PolarHBondContact N-O 2.76Å; I52-A54 PolarHBondContact O-N 3.19Å; I52-A54 VanDerWaalsContact O-N 3.11Å; A54-E104 WeakPolarHBondContact CA-O 3.23Å; A54-L106 HydrophobicContact CB-CB 4.08Å; A54-L106 HydrophobicContact CB-CD2 3.73Å; A54-F117 HydrophobicContact CB-CE2 3.71Å; A54-F117 HydrophobicContact CB-CZ 3.86Å
55C98.1Very high98.2Very high2 Ų237.9 Ų37.91%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-134.6145.2-169.6-70.90000111.9M53 A61 E104 Q105 L106M53-C55 PolarHBondContact O-N 2.72Å; C55-A61 HydrophobicContact CB-CB 3.68Å; C55-E104 PolarHBondContact N-O 3.15Å; C55-Q105 WeakPolarHBondContact O-CA 3.31Å; C55-L106 CarbonylContact C-O 3.54Å; C55-L106 PolarHBondContact O-N 2.93Å
56R97.1Very high98.2Very high146 Ų14641.1 Ų41.155%0.55120%0.195SC*.SBendtrans-68-48.2178.5-179-179.171.11747.2112.9L106 D107R56-L106 WeakPolarHBondContact CA-O 3.42Å; R56-L106 PolarHBondContact N-O 2.81Å; R56-L106 VanDerWaalsContact N-O 3.1Å; R56-D107 WeakPolarHBondContact CD-OD1 3.41Å; R56-D107 WeakPolarHBondContact CD-OD2 3.49Å; R56-D107 HydrophobicContact CG-CB 3.9Å; R56-D107 WeakPolarHBondContact CG-OD2 3.44Å
57N97Very high98.2Very high64 Ų6447 Ų4734%0.34222%0.217SC..  trans-101.7116.2-177177.5-61.7000109.1E59 R60 A61N57-E59 WeakPolarHBondContact OD1-CB 3.4Å; N57-E59 PolarHBondContact OD1-N 2.79Å; N57-E59 VanDerWaalsContact OD1-N 3.13Å; N57-R60 HydrophobicContact CB-CB 4.38Å; N57-R60 WeakPolarHBondContact OD1-CB 3.34Å; N57-R60 PolarHBondContact OD1-N 2.89Å; N57-A61 WeakPolarHBondContact O-CB 3.28Å; N57-A61 PolarHBondContact O-N 3.16Å; N57-A61 VanDerWaalsContact O-N 3.1Å
58M97.8Very high98.2Very high65 Ų6547 Ų4732%0.3222%0.217SC..Hα-helixtrans-72.5-32.2-173.7-65.8-60.6-74.300113.2A61 N62 I103 Q105M58-A61 PolarHBondContact O-N 3.21Å; M58-N62 PolarHBondContact O-N 2.97Å; M58-N62 PolarHBondContact O-ND2 2.9Å; M58-I103 HydrophobicContact CE-CB 4.28Å; M58-I103 HydrophobicContact CE-CG2 3.38Å; M58-I103 HydrophobicContact SD-CG2 3.78Å; M58-Q105 HydrophobicContact CG-CB 4.13Å; M58-Q105 HydrophobicContact CG-CG 4.14Å; M58-Q105 VanDerWaalsContact SD-CA 3.54Å; M58-Q105 HydrophobicContact SD-CB 3.58Å; M58-Q105 VanDerWaalsContact SD-CB 3.58Å; M58-Q105 HydrophobicContact SD-CG 4.08Å
59E98.1Very high98.2Very high135 Ų13548.1 Ų48.163%0.63122%0.22SC*.Hα-helixtrans-63.7-53.4176-176.7178.6-157.200110.5N57 A61 N62 E63N57-E59 WeakPolarHBondContact OD1-CB 3.4Å; N57-E59 PolarHBondContact OD1-N 2.79Å; N57-E59 VanDerWaalsContact OD1-N 3.13Å; E59-A61 PolarHBondContact O-N 2.71Å; E59-N62 WeakPolarHBondContact O-CA 3.47Å; E59-N62 WeakPolarHBondContact O-CB 3.34Å; E59-N62 PolarHBondContact O-N 3.37Å; E59-E63 WeakPolarHBondContact O-CG 3.34Å; E59-E63 PolarHBondContact O-N 2.96Å
60R97.1Very high98.1Very high118 Ų11853.3 Ų53.345%0.44525%0.245SC..Hα-helixtrans-61-30.6174.6-70.8-174.6173.31722.1113.2N57 A64N57-R60 HydrophobicContact CB-CB 4.38Å; N57-R60 WeakPolarHBondContact OD1-CB 3.34Å; N57-R60 PolarHBondContact OD1-N 2.89Å; R60-A64 VanDerWaalsContact O-CB 3.3Å; R60-A64 WeakPolarHBondContact O-CB 3.33Å; R60-A64 PolarHBondContact O-N 3.37Å
61A97.8Very high98Very high0 Ų054.4 Ų54.40%025%0.248CC..Hα-helixtrans-69.8-38.9174.300000111.6C55 N57 M58 E59 A64 R65 I103C55-A61 HydrophobicContact CB-CB 3.68Å; N57-A61 WeakPolarHBondContact O-CB 3.28Å; N57-A61 PolarHBondContact O-N 3.16Å; N57-A61 VanDerWaalsContact O-N 3.1Å; M58-A61 PolarHBondContact O-N 3.21Å; E59-A61 PolarHBondContact O-N 2.71Å; A61-A64 PolarHBondContact O-N 3.34Å; A61-R65 PolarHBondContact O-N 3.01Å; A61-I103 HydrophobicContact CB-CD1 4.44Å; A61-I103 HydrophobicContact CB-CG2 3.6Å
62N98.4Very high98Very high60 Ų6054.4 Ų54.432%0.32125%0.248SC..Hα-helixtrans-65.6-46.2173.2-82.9-71.4000111.7M58 E59 A64 R65 T66 I103M58-N62 PolarHBondContact O-N 2.97Å; M58-N62 PolarHBondContact O-ND2 2.9Å; E59-N62 WeakPolarHBondContact O-CA 3.47Å; E59-N62 WeakPolarHBondContact O-CB 3.34Å; E59-N62 PolarHBondContact O-N 3.37Å; N62-A64 VanDerWaalsContact C-N 3.29Å; N62-A64 PolarHBondContact O-N 2.96Å; N62-R65 WeakPolarHBondContact O-CB 3.07Å; N62-R65 PolarHBondContact O-N 3.47Å; N62-R65 VanDerWaalsContact O-N 3.11Å; N62-R65 PolarHBondContact OD1-NH2 3.48Å; N62-T66 PolarHBondContact O-N 3.23Å; N62-T66 PolarHBondContact O-OG1 3.27Å; N62-I103 HydrophobicContact CB-CD1 4.19Å; N62-I103 WeakPolarHBondContact OD1-CD1 3.43Å
63E98.3Very high97.9Very high105 Ų10554.5 Ų54.549%0.49125%0.249SC..Hα-helixtrans-55.5-45173.2-68.6171.8176.200111.5E59 T66 R67E59-E63 WeakPolarHBondContact O-CG 3.34Å; E59-E63 PolarHBondContact O-N 2.96Å; E63-T66 PolarHBondContact O-N 3.13Å; E63-R67 WeakPolarHBondContact O-CG 3.45Å; E63-R67 PolarHBondContact O-N 3.16Å
64A97.9Very high97.7Very high2 Ų261.4 Ų61.42%0.01728%0.279CS..Hα-helixtrans-64.1-40.1176.800000112.3N33 F38 M53 R60 A61 N62 R67 L68N33-A64 HydrophobicContact CB-CB 3.99Å; F38-A64 HydrophobicContact CD2-CB 4.18Å; F38-A64 HydrophobicContact CE2-CB 4.25Å; F38-A64 WeakPolarHBondContact CE2-O 3.38Å; M53-A64 HydrophobicContact CE-CB 4.11Å; R60-A64 VanDerWaalsContact O-CB 3.3Å; R60-A64 WeakPolarHBondContact O-CB 3.33Å; R60-A64 PolarHBondContact O-N 3.37Å; A61-A64 PolarHBondContact O-N 3.34Å; N62-A64 VanDerWaalsContact C-N 3.29Å; N62-A64 PolarHBondContact O-N 2.96Å; A64-R67 PolarHBondContact O-N 3.43Å; A64-L68 WeakPolarHBondContact O-CG 3.31Å; A64-L68 PolarHBondContact O-N 3.18Å
65R98.5Very high97.5Very high44 Ų4468 Ų6817%0.16631%0.313CS..Hα-helixtrans-61.7-44.9174.8-179.1177.364.4170.5-2111.4M53 A61 N62 L68 L69 W98 L101 I103M53-R65 HydrophobicContact CE-CB 4.42Å; M53-R65 HydrophobicContact SD-CB 4.17Å; A61-R65 PolarHBondContact O-N 3.01Å; N62-R65 WeakPolarHBondContact O-CB 3.07Å; N62-R65 PolarHBondContact O-N 3.47Å; N62-R65 VanDerWaalsContact O-N 3.11Å; N62-R65 PolarHBondContact OD1-NH2 3.48Å; R65-L68 WeakPolarHBondContact O-CB 3.39Å; R65-L68 PolarHBondContact O-N 2.65Å; R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CG 3.46Å; R65-L69 PolarHBondContact O-N 3.03Å; R65-L69 VanDerWaalsContact O-N 3.09Å; R65-W98 VanDerWaalsContact CZ-NE1 3.33Å; R65-L101 WeakPolarHBondContact CD-O 3.44Å; R65-L101 HydrophobicContact CG-CB 3.83Å; R65-L101 HydrophobicContact CG-CD1 3.8Å; R65-I103 HydrophobicContact CB-CD1 4.04Å
66T98.3Very high97.4Very high69 Ų6970 Ų7042%0.42332%0.323SS..Hα-helixtrans-58.6-49.7175.2-600000110.5N62 E63 L68 L69 E70N62-T66 PolarHBondContact O-N 3.23Å; N62-T66 PolarHBondContact O-OG1 3.27Å; E63-T66 PolarHBondContact O-N 3.13Å; T66-L68 VanDerWaalsContact C-N 3.3Å; T66-L68 PolarHBondContact O-N 3.13Å; T66-L69 PolarHBondContact O-N 2.85Å; T66-E70 HydrophobicContact CG2-CG 4.39Å; T66-E70 WeakPolarHBondContact CG2-OE1 3.27Å; T66-E70 WeakPolarHBondContact O-CG 3.28Å; T66-E70 PolarHBondContact O-N 3.28Å
67R97.8Very high97.3Very high126 Ų12672.1 Ų72.148%0.47534%0.339SS..Hα-helixtrans-59.5-36.6176.7-72.4175.360.7-169-1.5113.4F38 E63 A64 M71F38-R67 HydrophobicContact CE2-CB 4.15Å; F38-R67 HydrophobicContact CZ-CB 4.1Å; E63-R67 WeakPolarHBondContact O-CG 3.45Å; E63-R67 PolarHBondContact O-N 3.16Å; A64-R67 PolarHBondContact O-N 3.43Å; R67-M71 VanDerWaalsContact O-CB 3.3Å; R67-M71 WeakPolarHBondContact O-CB 3.39Å; R67-M71 WeakPolarHBondContact O-CG 2.99Å; R67-M71 PolarHBondContact O-N 3.25Å
68L98.2Very high97.1Very high0 Ų075.6 Ų75.60%035%0.351CS..Hα-helixtrans-63.4-42.1174.6-77.2172.1000111.7F38 M53 A64 R65 T66 Y72 L101F38-L68 HydrophobicContact CD1-CD2 4.28Å; F38-L68 HydrophobicContact CD2-CD2 4.15Å; F38-L68 HydrophobicContact CD2-CG 4.15Å; F38-L68 HydrophobicContact CE1-CD2 3.84Å; F38-L68 HydrophobicContact CE2-CD1 4.42Å; F38-L68 HydrophobicContact CE2-CD2 3.71Å; F38-L68 HydrophobicContact CE2-CG 3.55Å; F38-L68 HydrophobicContact CG-CD2 4.42Å; F38-L68 HydrophobicContact CZ-CD2 3.53Å; F38-L68 HydrophobicContact CZ-CG 3.77Å; M53-L68 HydrophobicContact CE-CD1 3.85Å; M53-L68 HydrophobicContact SD-CD1 4.12Å; A64-L68 WeakPolarHBondContact O-CG 3.31Å; A64-L68 PolarHBondContact O-N 3.18Å; R65-L68 WeakPolarHBondContact O-CB 3.39Å; R65-L68 PolarHBondContact O-N 2.65Å; T66-L68 VanDerWaalsContact C-N 3.3Å; T66-L68 PolarHBondContact O-N 3.13Å; L68-Y72 HydrophobicContact CD2-CD2 3.88Å; L68-Y72 HydrophobicContact CD2-CE2 3.97Å; L68-Y72 WeakPolarHBondContact O-CA 3.33Å; L68-Y72 WeakPolarHBondContact O-CB 3.48Å; L68-Y72 PolarHBondContact O-N 3.29Å; L68-L101 HydrophobicContact CB-CD1 3.79Å; L68-L101 HydrophobicContact CD1-CD1 3.89Å; L68-L101 HydrophobicContact CD1-CD2 4.21Å; L68-L101 HydrophobicContact CG-CD1 4.5Å
69L98.1Very high96.9Very high35 Ų3572.8 Ų72.818%0.18334%0.338CS..Hα-helixtrans-71.2-36.7178.9-66.7167.2000111.9R65 T66 G73 I75 I96 W98 L101R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CG 3.46Å; R65-L69 PolarHBondContact O-N 3.03Å; R65-L69 VanDerWaalsContact O-N 3.09Å; T66-L69 PolarHBondContact O-N 2.85Å; L69-G73 WeakPolarHBondContact O-CA 3.19Å; L69-G73 PolarHBondContact O-N 2.98Å; L69-I75 WeakPolarHBondContact O-CG2 3.32Å; L69-I96 HydrophobicContact CD2-CG2 4.18Å; L69-W98 HydrophobicContact CD1-CB 4.1Å; L69-W98 HydrophobicContact CD1-CG 4.3Å; L69-W98 HydrophobicContact CD2-CB 4.42Å; L69-L101 HydrophobicContact CD2-CD1 4.25Å; L69-L101 HydrophobicContact CG-CD1 4.17Å
70E97.5Very high96.5Very high109 Ų10969 Ų6951%0.50932%0.32SS..Hα-helixtrans-66.2-45.7173-70.6169.3170.300111.8T66 N76T66-E70 HydrophobicContact CG2-CG 4.39Å; T66-E70 WeakPolarHBondContact CG2-OE1 3.27Å; T66-E70 WeakPolarHBondContact O-CG 3.28Å; T66-E70 PolarHBondContact O-N 3.28Å; E70-N76 WeakPolarHBondContact O-CB 3.32Å
71M96.9Very high96.3Very high60 Ų6069 Ų6930%0.29633%0.325SS..Hα-helixtrans-76.2-39.2-177-69.7-179.972.800112.8F38 R67 N76F38-M71 HydrophobicContact CE1-SD 4Å; F38-M71 HydrophobicContact CZ-SD 4.04Å; R67-M71 VanDerWaalsContact O-CB 3.3Å; R67-M71 WeakPolarHBondContact O-CB 3.39Å; R67-M71 WeakPolarHBondContact O-CG 2.99Å; R67-M71 PolarHBondContact O-N 3.25Å; M71-N76 PolarHBondContact O-ND2 2.86Å
72Y97.7Very high96.1Very high0 Ų070.8 Ų70.80%034%0.336CS..Hα-helixtrans-129.41-167.3-49.7-69.8000114F38 H39 L68 T82 D83 P95 I96F38-Y72 HydrophobicContact CE1-CE2 4.12Å; H39-Y72 PolarHBondContact ND1-OH 2.78Å; L68-Y72 HydrophobicContact CD2-CD2 3.88Å; L68-Y72 HydrophobicContact CD2-CE2 3.97Å; L68-Y72 WeakPolarHBondContact O-CA 3.33Å; L68-Y72 WeakPolarHBondContact O-CB 3.48Å; L68-Y72 PolarHBondContact O-N 3.29Å; Y72-T82 HydrophobicContact CE1-CG2 3.9Å; Y72-D83 HydrophobicContact CE1-CB 4.09Å; Y72-D83 PolarHBondContact OH-OD2 2.76Å; Y72-P95 CarbonylContact O-C 3.59Å; Y72-P95 VanDerWaalsContact O-CA 3.23Å; Y72-P95 WeakPolarHBondContact O-CA 3.39Å; Y72-I96 HydrophobicContact CD2-CD1 4.27Å; Y72-I96 HydrophobicContact CG-CD1 4.33Å; Y72-I96 PolarHBondContact O-N 2.67Å
73G97.4Very high95.9Very high2 Ų270.2 Ų70.22%0.02133%0.333CS..BIsolated β-bridgetrans-87.6178.717500000112.5L69 I75 N76 S79 I96L69-G73 WeakPolarHBondContact O-CA 3.19Å; L69-G73 PolarHBondContact O-N 2.98Å; G73-I75 PolarHBondContact O-N 2.92Å; G73-I75 VanDerWaalsContact O-N 3.17Å; G73-N76 PolarHBondContact O-N 2.89Å; G73-N76 VanDerWaalsContact O-N 3.14Å; G73-S79 WeakPolarHBondContact O-CB 3.41Å; G73-S79 PolarHBondContact O-OG 3.07Å; G73-I96 VanDerWaalsContact CA-O 3.32Å; G73-I96 WeakPolarHBondContact CA-O 3.31Å
74K95.4Very high95.7Very high146 Ų14667 Ų6764%0.63532%0.321SS*.THydrogen-bonded Turntrans-60.7-24.6-176.5-78.3-169.9165.1-179.20114.6N76 P95 F97K74-N76 PolarHBondContact O-N 2.89Å; K74-P95 HydrophobicContact CG-CB 3.74Å; K74-P95 HydrophobicContact CG-CG 4.3Å; K74-F97 HydrophobicContact CD-CE1 3.7Å; K74-F97 HydrophobicContact CD-CZ 4.21Å; K74-F97 HydrophobicContact CG-CE1 4.26Å
75I94.8Very high95.5Very high141 Ų14167.7 Ų67.772%0.72333%0.326SS*.THydrogen-bonded Turntrans-66.5-23.6179.4-164.7168.9000112.3L69 G73L69-I75 WeakPolarHBondContact O-CG2 3.32Å; G73-I75 PolarHBondContact O-N 2.92Å; G73-I75 VanDerWaalsContact O-N 3.17Å
76N95.8Very high95.2Very high43 Ų4367.2 Ų67.223%0.2333%0.329CS..  trans-98.9107.6172.1177.811.8000110.1E70 M71 G73 K74 K78 S79E70-N76 WeakPolarHBondContact O-CB 3.32Å; M71-N76 PolarHBondContact O-ND2 2.86Å; G73-N76 PolarHBondContact O-N 2.89Å; G73-N76 VanDerWaalsContact O-N 3.14Å; K74-N76 PolarHBondContact O-N 2.89Å; N76-K78 PolarHBondContact O-N 3.02Å; N76-K78 VanDerWaalsContact O-N 3.14Å; N76-K78 PolarHBondContact OD1-N 2.94Å; N76-S79 WeakPolarHBondContact O-CB 3.48Å; N76-S79 PolarHBondContact O-N 2.87Å; N76-S79 PolarHBondContact O-OG 3.41Å
77E93.8Very high95Very high190 Ų19069.3 Ų69.389%0.88835%0.346SS*.THydrogen-bonded Turntrans-57.7-26.9177.2-62.7-179.8170.100112.7
78K93.8Very high94.6Very high138 Ų13867 Ų6760%0.634%0.338SS*.THydrogen-bonded Turntrans-95.213.2177.4-59.9-177.1-179.8178.70113.3N76 E80 E81 T82N76-K78 PolarHBondContact O-N 3.02Å; N76-K78 VanDerWaalsContact O-N 3.14Å; N76-K78 PolarHBondContact OD1-N 2.94Å; K78-E80 PolarHBondContact O-N 3.38Å; K78-E81 PolarHBondContact O-N 2.82Å; K78-T82 PolarHBondContact O-N 3.38Å; K78-T82 PolarHBondContact O-OG1 2.87Å
79S92.8Very high94.5Very high5 Ų567.1 Ų67.14%0.03534%0.338CS..THydrogen-bonded Turntrans-58.1-35.2179.753.60000112.8R46 G73 N76 E81R46-S79 PolarHBondContact NH2-O 2.68Å; G73-S79 WeakPolarHBondContact O-CB 3.41Å; G73-S79 PolarHBondContact O-OG 3.07Å; N76-S79 WeakPolarHBondContact O-CB 3.48Å; N76-S79 PolarHBondContact O-N 2.87Å; N76-S79 PolarHBondContact O-OG 3.41Å; S79-E81 PolarHBondContact O-N 2.83Å
80E91.2Very high94.2Very high55 Ų5569.2 Ų69.226%0.25735%0.346SS..THydrogen-bonded Turntrans-76.3-6.5176.6-67.4-167.7-152.400113.8K78 V84 K94 P95K78-E80 PolarHBondContact O-N 3.38Å; E80-V84 VanDerWaalsContact O-CG2 3.28Å; E80-V84 WeakPolarHBondContact O-CG2 3.32Å; E80-K94 IonicContact OE1-NZ 3.67Å; E80-K94 IonicContact OE2-NZ 3.42Å; E80-P95 HydrophobicContact CG-CG 4.37Å; E80-P95 WeakPolarHBondContact OE1-CD 3.47Å
81E92.2Very high94Very high118 Ų11867.6 Ų67.655%0.55135%0.347SS*.THydrogen-bonded Turntrans-112.2-19.3-178.4-59.6-174.5161.600112.8K78 S79 K90K78-E81 PolarHBondContact O-N 2.82Å; S79-E81 PolarHBondContact O-N 2.83Å; E81-K90 IonicContact OE1-NZ 3.73Å; E81-K90 PolarHBondContact OE1-NZ 3.28Å
82T92.9Very high93.9Very high39 Ų3964.9 Ų64.924%0.23933%0.334CS..THydrogen-bonded Turntrans-74134.8177.1-55.30000110.4R46 Y72 K78 V84R46-T82 PolarHBondContact NH1-O 2.84Å; R46-T82 PolarHBondContact NH2-O 2.9Å; Y72-T82 HydrophobicContact CE1-CG2 3.9Å; K78-T82 PolarHBondContact O-N 3.38Å; K78-T82 PolarHBondContact O-OG1 2.87Å; T82-V84 VanDerWaalsContact C-N 3.35Å; T82-V84 PolarHBondContact O-N 3.16Å
83D94.3Very high93.9Very high48 Ų4864.9 Ų64.926%0.25733%0.334SS..THydrogen-bonded Turntrans55.345.9173-83.15.1000113.3H39 Y72 W271H39-D83 IonicContact CE1-OD2 3.16Å; H39-D83 PolarHBondContact CE1-OD2 2.89Å; H39-D83 IonicContact ND1-OD2 2.79Å; H39-D83 PolarHBondContact ND1-OD2 2.91Å; H39-D83 VanDerWaalsContact ND1-OD2 3.11Å; Y72-D83 HydrophobicContact CE1-CB 4.09Å; Y72-D83 PolarHBondContact OH-OD2 2.76Å; D83-W271 HydrophobicContact CB-CD2 4.37Å; D83-W271 HydrophobicContact CB-CG 4.13Å; D83-W271 VanDerWaalsContact CG-CD1 3.46Å; D83-W271 WeakPolarHBondContact O-CZ2 3.08Å; D83-W271 PolarHBondContact O-NE1 3.1Å; D83-W271 VanDerWaalsContact O-NE1 3.16Å; D83-W271 VanDerWaalsContact OD2-CD1 3.24Å
84V94.8Very high93.8Very high38 Ų3869 Ų6923%0.2335%0.351CS..  trans-104.3124-178.7179.30000110.4E80 T82 C86 V89 L93E80-V84 VanDerWaalsContact O-CG2 3.28Å; E80-V84 WeakPolarHBondContact O-CG2 3.32Å; T82-V84 VanDerWaalsContact C-N 3.35Å; T82-V84 PolarHBondContact O-N 3.16Å; V84-C86 VanDerWaalsContact CG1-O 3.32Å; V84-C86 WeakPolarHBondContact CG1-O 3.33Å; V84-V89 HydrophobicContact CG1-CG2 3.85Å; V84-L93 HydrophobicContact CG2-CD1 4.03Å
85A93.2Very high94Very high16 Ų1663 Ų6313%0.13233%0.327CS..SBendtrans-66.7-44-179.600000113I9 L15 C16 I17 V89 W271I9-A85 VanDerWaalsContact CD1-O 3.25Å; I9-A85 WeakPolarHBondContact CD1-O 3.48Å; L15-A85 HydrophobicContact CB-CB 3.92Å; L15-A85 HydrophobicContact CD1-CB 4.21Å; C16-A85 WeakPolarHBondContact O-CB 3.36Å; I17-A85 HydrophobicContact CG2-CB 4.06Å; A85-V89 HydrophobicContact CB-CG2 4.29Å; A85-W271 HydrophobicContact CB-CH2 4.39Å; A85-W271 HydrophobicContact CB-CZ2 4.4Å
86C93.4Very high94.1Very high34 Ų3456.5 Ų56.523%0.2329%0.293CS..  trans-164.6173.7172.465.30000111.1I9 I17 V84 R88 V89I9-C86 HydrophobicContact CD1-CB 3.94Å; I17-C86 WeakPolarHBondContact CG2-SG 3.44Å; V84-C86 VanDerWaalsContact CG1-O 3.32Å; V84-C86 WeakPolarHBondContact CG1-O 3.33Å; C86-R88 PolarHBondContact O-N 3.09Å; C86-R88 VanDerWaalsContact O-N 3.1Å; C86-V89 WeakPolarHBondContact O-CG2 3.43Å; C86-V89 PolarHBondContact O-N 3.41Å; C86-V89 VanDerWaalsContact O-N 3.15Å
87S92.5Very high94.2Very high112 Ų11258.7 Ų58.778%0.78330%0.301SS*.Hα-helixtrans-52.7-33.8177.654.90000113.6V89 K90S87-V89 VanDerWaalsContact C-N 3.3Å; S87-V89 PolarHBondContact O-N 3.13Å; S87-K90 WeakPolarHBondContact O-CB 3.42Å; S87-K90 PolarHBondContact O-N 3.34Å; S87-K90 VanDerWaalsContact O-N 3.15Å
88R91.1Very high94.4Very high79 Ų7957.3 Ų57.330%0.29829%0.288SS..Hα-helixtrans-60.1-34.7-179-174.5174.5171.2-163.8-14.2113.6M5 K6 N19 C86M5-R88 PolarHBondContact SD-NH2 3.14Å; K6-R88 PolarHBondContact O-NH1 3.34Å; N19-R88 HydrophobicContact CB-CG 4.32Å; N19-R88 WeakPolarHBondContact CB-O 3.43Å; N19-R88 PolarHBondContact ND2-O 2.83Å; N19-R88 PolarHBondContact OD1-O 2.84Å; C86-R88 PolarHBondContact O-N 3.09Å; C86-R88 VanDerWaalsContact O-N 3.1Å
89V94.4Very high94.5Very high1 Ų156.1 Ų56.11%0.00629%0.288CS..Hα-helixtrans-84.5-17.4-179.7-62.70000113I17 V84 A85 C86 S87 S91 S92 L93I17-V89 VanDerWaalsContact CA-CG1 3.46Å; I17-V89 HydrophobicContact CB-CG1 4.16Å; V84-V89 HydrophobicContact CG1-CG2 3.85Å; A85-V89 HydrophobicContact CB-CG2 4.29Å; C86-V89 WeakPolarHBondContact O-CG2 3.43Å; C86-V89 PolarHBondContact O-N 3.41Å; C86-V89 VanDerWaalsContact O-N 3.15Å; S87-V89 VanDerWaalsContact C-N 3.3Å; S87-V89 PolarHBondContact O-N 3.13Å; V89-S91 PolarHBondContact O-N 3.23Å; V89-S91 VanDerWaalsContact O-N 3.17Å; V89-S92 PolarHBondContact O-N 2.95Å; V89-S92 PolarHBondContact O-OG 3.16Å; V89-L93 HydrophobicContact CG2-CD1 4.06Å; V89-L93 PolarHBondContact O-N 2.87Å
90K92.8Very high94.8Very high79 Ų7957 Ų5734%0.34329%0.292SS..Hα-helixtrans-53.8-41.9-173.5-163.9175.8-173.8177.10111.7E81 S87 S92 L93E81-K90 IonicContact OE1-NZ 3.73Å; E81-K90 PolarHBondContact OE1-NZ 3.28Å; S87-K90 WeakPolarHBondContact O-CB 3.42Å; S87-K90 PolarHBondContact O-N 3.34Å; S87-K90 VanDerWaalsContact O-N 3.15Å; K90-S92 PolarHBondContact O-N 3.15Å; K90-S92 VanDerWaalsContact O-N 3.17Å; K90-L93 PolarHBondContact O-N 3.47Å
91S92.9Very high95.1Very high76 Ų7654.5 Ų54.553%0.53128%0.28SS..THydrogen-bonded Turntrans-60.5-26.4178.364.50000114.8N19 V89N19-S91 PolarHBondContact ND2-OG 2.87Å; N19-S91 PolarHBondContact OD1-OG 2.99Å; N19-S91 VanDerWaalsContact OD1-OG 3.06Å; V89-S91 PolarHBondContact O-N 3.23Å; V89-S91 VanDerWaalsContact O-N 3.17Å
92S95.2Very high95.4Very high2 Ų251 Ų511%0.01427%0.265CS..THydrogen-bonded Turntrans-89.2-8.8175.963.30000114.6N19 R21 R47 V89 K90N19-S92 WeakPolarHBondContact OD1-CB 3.25Å; N19-S92 PolarHBondContact OD1-N 3.37Å; N19-S92 PolarHBondContact OD1-OG 3.5Å; R21-S92 WeakPolarHBondContact CD-O 3.31Å; R21-S92 PolarHBondContact NH1-O 3.44Å; R47-S92 WeakPolarHBondContact CA-O 3.26Å; R47-S92 PolarHBondContact NH1-OG 3.5Å; V89-S92 PolarHBondContact O-N 2.95Å; V89-S92 PolarHBondContact O-OG 3.16Å; K90-S92 PolarHBondContact O-N 3.15Å; K90-S92 VanDerWaalsContact O-N 3.17Å
93L96.7Very high95.7Very high1 Ų150.2 Ų50.21%0.00526%0.259CS..  trans-101.9121.3-177-59.1176.2000109.3E43 R46 R47 V84 V89 K90E43-L93 HydrophobicContact CG-CD2 3.91Å; R46-L93 HydrophobicContact CB-CB 4.49Å; R46-L93 HydrophobicContact CB-CD2 3.97Å; R47-L93 HydrophobicContact CG-CD2 4.01Å; V84-L93 HydrophobicContact CG2-CD1 4.03Å; V89-L93 HydrophobicContact CG2-CD1 4.06Å; V89-L93 PolarHBondContact O-N 2.87Å; K90-L93 PolarHBondContact O-N 3.47Å
94K96.8Very high95.9Very high89 Ų8948.6 Ų48.639%0.38725%0.25SC..  trans-125.9158.4178.4-63.9-63.9169.9-164.10110.7R46 E80 I96R46-K94 VanDerWaalsContact CA-O 3.31Å; R46-K94 WeakPolarHBondContact CA-O 3.38Å; R46-K94 WeakPolarHBondContact CB-O 3.14Å; R46-K94 WeakPolarHBondContact CG-O 3.47Å; R46-K94 PolarHBondContact O-N 2.75Å; E80-K94 IonicContact OE1-NZ 3.67Å; E80-K94 IonicContact OE2-NZ 3.42Å; K94-I96 PolarHBondContact O-N 3.46Å
95P97.8Very high96.1Very high20 Ų2051.6 Ų51.613%0.1326%0.261CS..PPolyproline II helixtrans-56.7137.8176.4-2635.2000111.4Y72 K74 E80Y72-P95 CarbonylContact O-C 3.59Å; Y72-P95 VanDerWaalsContact O-CA 3.23Å; Y72-P95 WeakPolarHBondContact O-CA 3.39Å; K74-P95 HydrophobicContact CG-CB 3.74Å; K74-P95 HydrophobicContact CG-CG 4.3Å; E80-P95 HydrophobicContact CG-CG 4.37Å; E80-P95 WeakPolarHBondContact OE1-CD 3.47Å
96I98Very high96.4Very high3 Ų351.1 Ų51.12%0.01526%0.257CS..BIsolated β-bridgetrans-74.5136.8176.4-55.7176.9000109.6A45 R46 L69 Y72 G73 K94 Q100 L101A45-I96 HydrophobicContact CB-CD1 3.74Å; A45-I96 HydrophobicContact CB-CG1 3.87Å; A45-I96 HydrophobicContact CB-CG2 4.02Å; R46-I96 HydrophobicContact CG-CD1 3.94Å; R46-I96 HydrophobicContact CG-CG1 3.59Å; L69-I96 HydrophobicContact CD2-CG2 4.18Å; Y72-I96 HydrophobicContact CD2-CD1 4.27Å; Y72-I96 HydrophobicContact CG-CD1 4.33Å; Y72-I96 PolarHBondContact O-N 2.67Å; G73-I96 VanDerWaalsContact CA-O 3.32Å; G73-I96 WeakPolarHBondContact CA-O 3.31Å; K94-I96 PolarHBondContact O-N 3.46Å; I96-Q100 HydrophobicContact CG2-CB 4.44Å; I96-L101 HydrophobicContact CG2-CD1 3.8Å; I96-L101 HydrophobicContact CG2-CD2 4.03Å; I96-L101 HydrophobicContact CG2-CG 3.78Å
97F97.5Very high96.6Very high90 Ų9051.4 Ų51.440%0.39526%0.256SS..PPolyproline II helixtrans-101.3150.1170.3-61.9-86.4000111.6K74 N99 Q100K74-F97 HydrophobicContact CD-CE1 3.7Å; K74-F97 HydrophobicContact CD-CZ 4.21Å; K74-F97 HydrophobicContact CG-CE1 4.26Å; F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 WeakPolarHBondContact CB-OD1 3.38Å; F97-N99 PolarHBondContact O-N 3.28Å; F97-Q100 HydrophobicContact CB-CG 4.35Å; F97-Q100 WeakPolarHBondContact O-CB 3.06Å; F97-Q100 PolarHBondContact O-N 3.27Å
98W97.1Very high96.9Very high160 Ų16046.7 Ų46.761%0.60622%0.222SC*.G310 helixtrans-56.8-39-177.7178.191.8000113.2R65 L69 Q100 L101R65-W98 VanDerWaalsContact CZ-NE1 3.33Å; L69-W98 HydrophobicContact CD1-CB 4.1Å; L69-W98 HydrophobicContact CD1-CG 4.3Å; L69-W98 HydrophobicContact CD2-CB 4.42Å; W98-Q100 PolarHBondContact O-N 3.04Å; W98-L101 PolarHBondContact O-N 2.85Å
99N97.2Very high97.2Very high114 Ų11443.4 Ų43.461%0.6121%0.211SC*.G310 helixtrans-69.6-13.2179.167.5-25.6000114.1F97 L101F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 WeakPolarHBondContact CB-OD1 3.38Å; F97-N99 PolarHBondContact O-N 3.28Å; N99-L101 VanDerWaalsContact C-N 3.3Å
100Q98.2Very high97.4Very high23 Ų2343.7 Ų43.711%0.10721%0.214CC..G310 helixtrans-77.6-17.6171.1-64.1-178.8-9400112.3A45 A49 I51 I96 F97 W98A45-Q100 PolarHBondContact O-NE2 3.15Å; A49-Q100 PolarHBondContact O-NE2 2.88Å; A49-Q100 VanDerWaalsContact O-NE2 3.09Å; I51-Q100 PolarHBondContact N-O 2.86Å; I96-Q100 HydrophobicContact CG2-CB 4.44Å; F97-Q100 HydrophobicContact CB-CG 4.35Å; F97-Q100 WeakPolarHBondContact O-CB 3.06Å; F97-Q100 PolarHBondContact O-N 3.27Å; W98-Q100 PolarHBondContact O-N 3.04Å
101L98.7Very high97.7Very high2 Ų241 Ų411%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-110.993.7-172.1-58.3-177.2000110.9A45 I51 M53 R65 L68 L69 I96 W98 N99A45-L101 HydrophobicContact CB-CD2 3.99Å; I51-L101 HydrophobicContact CB-CD2 4.11Å; I51-L101 HydrophobicContact CG1-CD2 4.24Å; M53-L101 HydrophobicContact SD-CB 4.03Å; M53-L101 HydrophobicContact SD-CD2 4.34Å; R65-L101 WeakPolarHBondContact CD-O 3.44Å; R65-L101 HydrophobicContact CG-CB 3.83Å; R65-L101 HydrophobicContact CG-CD1 3.8Å; L68-L101 HydrophobicContact CB-CD1 3.79Å; L68-L101 HydrophobicContact CD1-CD1 3.89Å; L68-L101 HydrophobicContact CD1-CD2 4.21Å; L68-L101 HydrophobicContact CG-CD1 4.5Å; L69-L101 HydrophobicContact CD2-CD1 4.25Å; L69-L101 HydrophobicContact CG-CD1 4.17Å; I96-L101 HydrophobicContact CG2-CD1 3.8Å; I96-L101 HydrophobicContact CG2-CD2 4.03Å; I96-L101 HydrophobicContact CG2-CG 3.78Å; W98-L101 PolarHBondContact O-N 2.85Å; N99-L101 VanDerWaalsContact C-N 3.3Å
102I98.6Very high98Very high46 Ų4643.8 Ų43.824%0.23621%0.205CC..EExtended strand (participates in β ladder)trans-99.8118.6-175.1-55177.9000108.5T50 I51 I52 M53 Y125T50-I102 HydrophobicContact CG2-CD1 3.47Å; T50-I102 VanDerWaalsContact CG2-CD1 3.47Å; T50-I102 HydrophobicContact CG2-CG1 4.14Å; I51-I102 PolarHBondContact O-N 3.24Å; I52-I102 CarbonylContact C-O 3.32Å; I52-I102 WeakPolarHBondContact CA-O 3.45Å; M53-I102 PolarHBondContact N-O 3.03Å; I102-Y125 WeakPolarHBondContact CD1-OH 3.36Å
103I98.5Very high98.2Very high22 Ų2244.3 Ų44.311%0.11321%0.209CC..EExtended strand (participates in β ladder)trans-90.7130.3-178.7-57.8172.7000109.4M53 M58 A61 N62 R65M53-I103 HydrophobicContact SD-CG1 4.48Å; M58-I103 HydrophobicContact CE-CB 4.28Å; M58-I103 HydrophobicContact CE-CG2 3.38Å; M58-I103 HydrophobicContact SD-CG2 3.78Å; A61-I103 HydrophobicContact CB-CD1 4.44Å; A61-I103 HydrophobicContact CB-CG2 3.6Å; N62-I103 HydrophobicContact CB-CD1 4.19Å; N62-I103 WeakPolarHBondContact OD1-CD1 3.43Å; R65-I103 HydrophobicContact CB-CD1 4.04Å
104E98.6Very high98.3Very high14 Ų1444.3 Ų44.37%0.06521%0.209CC..EExtended strand (participates in β ladder)trans-132.8135.8175.3-74.6-66.6160.200110.6I52 M53 A54 C55 L106 F117 R120 I121 R124I52-E104 HydrophobicContact CG2-CB 4.03Å; I52-E104 HydrophobicContact CG2-CG 3.77Å; M53-E104 PolarHBondContact O-N 3.46Å; M53-E104 VanDerWaalsContact O-N 3.12Å; A54-E104 WeakPolarHBondContact CA-O 3.23Å; C55-E104 PolarHBondContact N-O 3.15Å; E104-L106 PolarHBondContact O-N 3.2Å; E104-F117 HydrophobicContact CB-CD2 3.91Å; E104-F117 HydrophobicContact CB-CE2 3.53Å; E104-F117 HydrophobicContact CG-CE2 4.23Å; E104-R120 IonicContact OE2-NE 2.68Å; E104-R120 PolarHBondContact OE2-NE 2.83Å; E104-R120 VanDerWaalsContact OE2-NE 3.16Å; E104-I121 HydrophobicContact CG-CD1 4.03Å; E104-R124 IonicContact OE1-CZ 3.54Å; E104-R124 IonicContact OE1-NH1 3.62Å; E104-R124 PolarHBondContact OE1-NH1 3.2Å; E104-R124 IonicContact OE2-NH1 2.68Å
105Q98.6Very high98.3Very high101 Ų10144.4 Ų44.447%0.47221%0.207SC..EExtended strand (participates in β ladder)trans-73.1129.4176.5-165.1176.720.600110.3C55 M58 F117 R120C55-Q105 WeakPolarHBondContact O-CA 3.31Å; M58-Q105 HydrophobicContact CG-CB 4.13Å; M58-Q105 HydrophobicContact CG-CG 4.14Å; M58-Q105 VanDerWaalsContact SD-CA 3.54Å; M58-Q105 HydrophobicContact SD-CB 3.58Å; M58-Q105 VanDerWaalsContact SD-CB 3.58Å; M58-Q105 HydrophobicContact SD-CG 4.08Å; Q105-F117 WeakPolarHBondContact O-CD2 3.45Å; Q105-R120 PolarHBondContact O-NH2 3.32Å
106L98.8Very high98.4Very high6 Ų647.4 Ų47.43%0.03122%0.219CC..  trans-148.8114.3173.617464.5000109.9T30 A54 C55 R56 E104 L108 I114 F117 L163T30-L106 HydrophobicContact CG2-CD2 3.79Å; A54-L106 HydrophobicContact CB-CB 4.08Å; A54-L106 HydrophobicContact CB-CD2 3.73Å; C55-L106 CarbonylContact C-O 3.54Å; C55-L106 PolarHBondContact O-N 2.93Å; R56-L106 WeakPolarHBondContact CA-O 3.42Å; R56-L106 PolarHBondContact N-O 2.81Å; R56-L106 VanDerWaalsContact N-O 3.1Å; E104-L106 PolarHBondContact O-N 3.2Å; L106-L108 HydrophobicContact CD1-CD2 4.37Å; L106-L108 HydrophobicContact CD2-CD2 4.11Å; L106-L108 HydrophobicContact CD2-CG 4.41Å; L106-L108 HydrophobicContact CG-CD2 4.3Å; L106-L108 HydrophobicContact CG-CG 4.39Å; L106-I114 HydrophobicContact CD1-CB 4.44Å; L106-I114 HydrophobicContact CD1-CG1 3.95Å; L106-F117 HydrophobicContact CB-CD2 3.88Å; L106-F117 HydrophobicContact CB-CE2 4.31Å; L106-F117 HydrophobicContact CB-CG 4.18Å; L106-F117 HydrophobicContact CD1-CB 3.84Å; L106-F117 HydrophobicContact CD1-CD1 4.15Å; L106-F117 HydrophobicContact CD1-CD2 4.45Å; L106-F117 HydrophobicContact CD1-CG 3.89Å; L106-F117 HydrophobicContact CG-CG 4.43Å; L106-L163 HydrophobicContact CD2-CD2 3.92Å
107D98.6Very high98.4Very high40 Ų4047.2 Ų47.221%0.21422%0.218CC..  trans-102.1111.4166.2-162.3-13000110.8R56 A109 S110 S113R56-D107 WeakPolarHBondContact CD-OD1 3.41Å; R56-D107 WeakPolarHBondContact CD-OD2 3.49Å; R56-D107 HydrophobicContact CG-CB 3.9Å; R56-D107 WeakPolarHBondContact CG-OD2 3.44Å; D107-A109 PolarHBondContact O-N 3.14Å; D107-A109 WeakPolarHBondContact OD1-CB 3.23Å; D107-A109 PolarHBondContact OD1-N 3.14Å; D107-S110 PolarHBondContact O-N 3.43Å; D107-S113 PolarHBondContact N-OG 2.8Å
108L98.6Very high98.5Very high12 Ų1243 Ų436%0.06320%0.2CC..THydrogen-bonded Turntrans-72-8.7177-68.4170.7000113.2L106 S110 I114 A135 V155 P160 L163L106-L108 HydrophobicContact CD1-CD2 4.37Å; L106-L108 HydrophobicContact CD2-CD2 4.11Å; L106-L108 HydrophobicContact CD2-CG 4.41Å; L106-L108 HydrophobicContact CG-CD2 4.3Å; L106-L108 HydrophobicContact CG-CG 4.39Å; L108-S110 VanDerWaalsContact C-N 3.28Å; L108-I114 HydrophobicContact CD2-CD1 4.35Å; L108-I114 HydrophobicContact CD2-CG1 4.3Å; L108-A135 HydrophobicContact CD1-CB 3.51Å; L108-V155 HydrophobicContact CB-CG1 4.24Å; L108-P160 HydrophobicContact CD1-CG 4.04Å; L108-P160 HydrophobicContact CD2-CG 4.27Å; L108-L163 HydrophobicContact CD2-CD2 4.32Å
109A98.3Very high98.6Very high10 Ų1040.3 Ų40.38%0.08320%0.198CC..THydrogen-bonded Turntrans-88.210.3171.900000113.1D107 T145 E146 M151 V155D107-A109 PolarHBondContact O-N 3.14Å; D107-A109 WeakPolarHBondContact OD1-CB 3.23Å; D107-A109 PolarHBondContact OD1-N 3.14Å; A109-T145 HydrophobicContact CB-CG2 4.01Å; A109-T145 VanDerWaalsContact O-CB 3.27Å; A109-T145 WeakPolarHBondContact O-CB 3.44Å; A109-E146 PolarHBondContact O-N 3.34Å; A109-M151 HydrophobicContact CB-SD 3.85Å; A109-V155 HydrophobicContact CB-CG2 3.72Å
110S98.7Very high98.7Very high8 Ų838 Ų386%0.05618%0.18CC..  trans-139.2112.8-178.9165.70000110.3D107 L108 K112 S113 I114 E146 D147D107-S110 PolarHBondContact O-N 3.43Å; L108-S110 VanDerWaalsContact C-N 3.28Å; S110-K112 PolarHBondContact O-N 2.99Å; S110-S113 PolarHBondContact O-N 3.38Å; S110-S113 VanDerWaalsContact OG-CB 3.3Å; S110-S113 WeakPolarHBondContact OG-CB 3.42Å; S110-S113 PolarHBondContact OG-N 3.16Å; S110-I114 WeakPolarHBondContact O-CG1 3.48Å; S110-I114 PolarHBondContact O-N 3.16Å; S110-E146 WeakPolarHBondContact CB-OE1 3.41Å; S110-E146 PolarHBondContact OG-OE1 3.17Å; S110-D147 WeakPolarHBondContact CA-OD2 3.41Å
111L98.6Very high98.7Very high22 Ų2236.9 Ų36.912%0.11518%0.175CC..Hα-helixtrans-61.9-34.4175.6-60.3-172.2000111.4I114 R115 D147 F149 I158 L162 L321L111-I114 HydrophobicContact CD2-CD1 4.28Å; L111-I114 PolarHBondContact O-N 3.26Å; L111-R115 WeakPolarHBondContact O-CG 3.13Å; L111-R115 PolarHBondContact O-N 3.33Å; L111-R115 VanDerWaalsContact O-N 3.12Å; L111-D147 WeakPolarHBondContact CB-OD1 3.18Å; L111-D147 HydrophobicContact CD1-CB 4.21Å; L111-D147 HydrophobicContact CG-CB 4.05Å; L111-D147 VanDerWaalsContact CG-CG 3.43Å; L111-D147 WeakPolarHBondContact CG-OD2 3.46Å; L111-D147 PolarHBondContact N-OD2 3.37Å; L111-F149 HydrophobicContact CD1-CE2 3.94Å; L111-F149 HydrophobicContact CD1-CZ 4.45Å; L111-F149 HydrophobicContact CD2-CE2 4.22Å; L111-F149 HydrophobicContact CG-CE2 4.19Å; L111-I158 HydrophobicContact CD2-CG2 4.47Å; L111-L162 HydrophobicContact CB-CD2 4.12Å; L111-L162 HydrophobicContact CD2-CD2 3.71Å; L111-L162 HydrophobicContact CG-CD2 4.36Å; L111-L321 HydrophobicContact CD1-CD2 3.67Å; L111-L321 HydrophobicContact CD2-CD2 3.59Å; L111-L321 HydrophobicContact CG-CD2 4.29Å
112K98.6Very high98.7Very high134 Ų13440.5 Ų40.558%0.58319%0.191SC*.Hα-helixtrans-60.6-50.7173.4179.1178.8170.6-178.50111.2S110 I114 R115 E116S110-K112 PolarHBondContact O-N 2.99Å; K112-I114 VanDerWaalsContact C-N 3.27Å; K112-I114 PolarHBondContact O-N 3.46Å; K112-R115 PolarHBondContact O-N 2.91Å; K112-R115 VanDerWaalsContact O-N 3.14Å; K112-E116 WeakPolarHBondContact CE-OE1 3.34Å; K112-E116 HydrophobicContact CG-CG 4.42Å; K112-E116 IonicContact NZ-OE1 3.89Å; K112-E116 WeakPolarHBondContact O-CG 2.98Å; K112-E116 PolarHBondContact O-N 2.76Å
113S98.8Very high98.7Very high14 Ų1442.7 Ų42.710%0.09821%0.21CC..Hα-helixtrans-58.9-39.4178.9-1730000112.1D107 S110 F117D107-S113 PolarHBondContact N-OG 2.8Å; S110-S113 PolarHBondContact O-N 3.38Å; S110-S113 VanDerWaalsContact OG-CB 3.3Å; S110-S113 WeakPolarHBondContact OG-CB 3.42Å; S110-S113 PolarHBondContact OG-N 3.16Å; S113-F117 VanDerWaalsContact O-CB 3.3Å; S113-F117 WeakPolarHBondContact O-CB 3.11Å; S113-F117 PolarHBondContact O-N 3.2Å
114I98.8Very high98.6Very high0 Ų048.5 Ų48.50%023%0.231CC..Hα-helixtrans-61.7-46.7176.5-66.6161.2000111L106 L108 S110 L111 K112 F117 V118 G159 L162 L163 L166L106-I114 HydrophobicContact CD1-CB 4.44Å; L106-I114 HydrophobicContact CD1-CG1 3.95Å; L108-I114 HydrophobicContact CD2-CD1 4.35Å; L108-I114 HydrophobicContact CD2-CG1 4.3Å; S110-I114 WeakPolarHBondContact O-CG1 3.48Å; S110-I114 PolarHBondContact O-N 3.16Å; L111-I114 HydrophobicContact CD2-CD1 4.28Å; L111-I114 PolarHBondContact O-N 3.26Å; K112-I114 VanDerWaalsContact C-N 3.27Å; K112-I114 PolarHBondContact O-N 3.46Å; I114-F117 PolarHBondContact O-N 3.36Å; I114-V118 WeakPolarHBondContact O-CG2 3.49Å; I114-V118 PolarHBondContact O-N 3.5Å; I114-G159 VanDerWaalsContact CD1-CA 3.4Å; I114-L162 HydrophobicContact CB-CD2 4.23Å; I114-L162 HydrophobicContact CD1-CD2 4.36Å; I114-L162 HydrophobicContact CG2-CB 4.35Å; I114-L162 HydrophobicContact CG2-CD2 3.94Å; I114-L162 HydrophobicContact CG2-CG 3.93Å; I114-L163 HydrophobicContact CG2-CB 4.05Å; I114-L163 HydrophobicContact CG2-CD1 4.3Å; I114-L166 HydrophobicContact CG2-CD1 4.3Å
115R98.6Very high98.6Very high91 Ų9149.6 Ų49.634%0.34323%0.234SC..Hα-helixtrans-63.7-48.4179.2-69176.5-172-76.51.9111.4L111 K112 F117 V118 D119 L166L111-R115 WeakPolarHBondContact O-CG 3.13Å; L111-R115 PolarHBondContact O-N 3.33Å; L111-R115 VanDerWaalsContact O-N 3.12Å; K112-R115 PolarHBondContact O-N 2.91Å; K112-R115 VanDerWaalsContact O-N 3.14Å; R115-F117 VanDerWaalsContact C-N 3.31Å; R115-F117 PolarHBondContact O-N 2.84Å; R115-V118 PolarHBondContact O-N 2.83Å; R115-V118 VanDerWaalsContact O-N 3.07Å; R115-D119 PolarHBondContact O-N 3.34Å; R115-L166 HydrophobicContact CG-CD1 3.96Å
116E98.8Very high98.6Very high83 Ų8353 Ų5339%0.38825%0.247SC..Hα-helixtrans-60.9-39.1177.8-69.3176.3169.400112.5K112 D119 R120K112-E116 WeakPolarHBondContact CE-OE1 3.34Å; K112-E116 HydrophobicContact CG-CG 4.42Å; K112-E116 IonicContact NZ-OE1 3.89Å; K112-E116 WeakPolarHBondContact O-CG 2.98Å; K112-E116 PolarHBondContact O-N 2.76Å; E116-D119 PolarHBondContact O-N 3.05Å; E116-R120 WeakPolarHBondContact O-CG 3.46Å; E116-R120 PolarHBondContact O-N 3.3Å; E116-R120 VanDerWaalsContact O-N 3.11Å; E116-R120 PolarHBondContact O-NH1 3.41Å
117F98.9Very high98.6Very high0 Ų056.5 Ų56.50%026%0.263CS..Hα-helixtrans-59.2-50.3171.9169.4-91.3000110.8I28 I52 A54 E104 Q105 L106 S113 I114 R115 D119 R120 I121 L163I28-F117 HydrophobicContact CD1-CE1 4.27Å; I28-F117 HydrophobicContact CD1-CZ 4.18Å; I28-F117 HydrophobicContact CG2-CZ 4Å; I52-F117 HydrophobicContact CG2-CE2 4.25Å; I52-F117 HydrophobicContact CG2-CZ 4.23Å; A54-F117 HydrophobicContact CB-CE2 3.71Å; A54-F117 HydrophobicContact CB-CZ 3.86Å; E104-F117 HydrophobicContact CB-CD2 3.91Å; E104-F117 HydrophobicContact CB-CE2 3.53Å; E104-F117 HydrophobicContact CG-CE2 4.23Å; Q105-F117 WeakPolarHBondContact O-CD2 3.45Å; L106-F117 HydrophobicContact CB-CD2 3.88Å; L106-F117 HydrophobicContact CB-CE2 4.31Å; L106-F117 HydrophobicContact CB-CG 4.18Å; L106-F117 HydrophobicContact CD1-CB 3.84Å; L106-F117 HydrophobicContact CD1-CD1 4.15Å; L106-F117 HydrophobicContact CD1-CD2 4.45Å; L106-F117 HydrophobicContact CD1-CG 3.89Å; L106-F117 HydrophobicContact CG-CG 4.43Å; S113-F117 VanDerWaalsContact O-CB 3.3Å; S113-F117 WeakPolarHBondContact O-CB 3.11Å; S113-F117 PolarHBondContact O-N 3.2Å; I114-F117 PolarHBondContact O-N 3.36Å; R115-F117 VanDerWaalsContact C-N 3.31Å; R115-F117 PolarHBondContact O-N 2.84Å; F117-D119 VanDerWaalsContact C-N 3.3Å; F117-D119 PolarHBondContact O-N 3.36Å; F117-R120 PolarHBondContact O-N 3.04Å; F117-I121 HydrophobicContact CD1-CG1 4.1Å; F117-I121 HydrophobicContact CD2-CG1 4.42Å; F117-I121 HydrophobicContact CE1-CD1 4.46Å; F117-I121 HydrophobicContact CE1-CG1 3.61Å; F117-I121 HydrophobicContact CE2-CD1 4.03Å; F117-I121 HydrophobicContact CE2-CG1 4Å; F117-I121 HydrophobicContact CG-CG1 4.48Å; F117-I121 HydrophobicContact CZ-CD1 3.92Å; F117-I121 HydrophobicContact CZ-CG1 3.56Å; F117-I121 WeakPolarHBondContact O-CG1 3.47Å; F117-I121 PolarHBondContact O-N 2.92Å; F117-L163 HydrophobicContact CD1-CD1 3.67Å; F117-L163 HydrophobicContact CE1-CD1 3.72Å
118V98.8Very high98.6Very high2 Ų254.6 Ų54.61%0.01225%0.253CS..Hα-helixtrans-62.4-38.2-179.1173.80000111.7I114 R115 R120 I121 K122 L163 L166 L167I114-V118 WeakPolarHBondContact O-CG2 3.49Å; I114-V118 PolarHBondContact O-N 3.5Å; R115-V118 PolarHBondContact O-N 2.83Å; R115-V118 VanDerWaalsContact O-N 3.07Å; V118-R120 PolarHBondContact O-N 3.18Å; V118-I121 PolarHBondContact O-N 3.09Å; V118-K122 HydrophobicContact CG1-CD 3.84Å; V118-K122 HydrophobicContact CG1-CG 4.1Å; V118-K122 WeakPolarHBondContact O-CB 3.29Å; V118-K122 WeakPolarHBondContact O-CG 3.39Å; V118-K122 PolarHBondContact O-N 3.44Å; V118-L163 HydrophobicContact CG2-CD1 3.78Å; V118-L166 HydrophobicContact CB-CB 4.33Å; V118-L166 HydrophobicContact CG1-CB 3.95Å; V118-L166 HydrophobicContact CG2-CB 3.92Å; V118-L166 HydrophobicContact CG2-CD1 4.3Å; V118-L167 HydrophobicContact CG1-CD2 4.07Å; V118-L167 HydrophobicContact CG2-CD2 4.08Å; V118-L167 HydrophobicContact CG2-CG 4.04Å
119D98.8Very high98.6Very high103 Ų10354.1 Ų54.155%0.55125%0.25SS*.Hα-helixtrans-62.8-42.6176.7-67.1-22.4000111.6R115 E116 F117 I121 K122 S123R115-D119 PolarHBondContact O-N 3.34Å; E116-D119 PolarHBondContact O-N 3.05Å; F117-D119 VanDerWaalsContact C-N 3.3Å; F117-D119 PolarHBondContact O-N 3.36Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 2.82Å; D119-K122 PolarHBondContact O-N 3.37Å; D119-S123 PolarHBondContact O-N 3.05Å; D119-S123 PolarHBondContact O-OG 3.36Å
120R98.7Very high98.6Very high64 Ų6454.2 Ų54.224%0.24225%0.248CC..Hα-helixtrans-62.6-38.3172.4-70.7-170.1-60.9-83.22.4112.7E104 Q105 E116 F117 V118 S123E104-R120 IonicContact OE2-NE 2.68Å; E104-R120 PolarHBondContact OE2-NE 2.83Å; E104-R120 VanDerWaalsContact OE2-NE 3.16Å; Q105-R120 PolarHBondContact O-NH2 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.46Å; E116-R120 PolarHBondContact O-N 3.3Å; E116-R120 VanDerWaalsContact O-N 3.11Å; E116-R120 PolarHBondContact O-NH1 3.41Å; F117-R120 PolarHBondContact O-N 3.04Å; V118-R120 PolarHBondContact O-N 3.18Å; R120-S123 PolarHBondContact O-OG 3.21Å
121I98.8Very high98.7Very high0 Ų053.8 Ų53.80%025%0.246CC..Hα-helixtrans-68.9-46.4176.9-63.5-44.5000110.9I28 I52 E104 F117 V118 D119 S123 R124 Y125 I128 L167 L170I28-I121 HydrophobicContact CD1-CG1 4.46Å; I28-I121 HydrophobicContact CD1-CG2 4.25Å; I52-I121 HydrophobicContact CD1-CD1 4.09Å; I52-I121 HydrophobicContact CG2-CD1 4.05Å; E104-I121 HydrophobicContact CG-CD1 4.03Å; F117-I121 HydrophobicContact CD1-CG1 4.1Å; F117-I121 HydrophobicContact CD2-CG1 4.42Å; F117-I121 HydrophobicContact CE1-CD1 4.46Å; F117-I121 HydrophobicContact CE1-CG1 3.61Å; F117-I121 HydrophobicContact CE2-CD1 4.03Å; F117-I121 HydrophobicContact CE2-CG1 4Å; F117-I121 HydrophobicContact CG-CG1 4.48Å; F117-I121 HydrophobicContact CZ-CD1 3.92Å; F117-I121 HydrophobicContact CZ-CG1 3.56Å; F117-I121 WeakPolarHBondContact O-CG1 3.47Å; F117-I121 PolarHBondContact O-N 2.92Å; V118-I121 PolarHBondContact O-N 3.09Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 2.82Å; I121-S123 VanDerWaalsContact C-N 3.28Å; I121-S123 PolarHBondContact O-N 3.44Å; I121-R124 PolarHBondContact O-N 3.47Å; I121-Y125 HydrophobicContact CD1-CD2 4.4Å; I121-Y125 HydrophobicContact CD1-CE2 4.25Å; I121-Y125 HydrophobicContact CG2-CD2 4Å; I121-Y125 WeakPolarHBondContact O-CD2 3.38Å; I121-Y125 PolarHBondContact O-N 3.44Å; I121-I128 HydrophobicContact CG2-CD1 4.08Å; I121-I128 HydrophobicContact CG2-CG1 4.25Å; I121-L167 HydrophobicContact CB-CD2 4.47Å; I121-L167 HydrophobicContact CG2-CD2 4.09Å; I121-L170 HydrophobicContact CG2-CD1 3.9Å
122K98.5Very high98.7Very high79 Ų7952.8 Ų52.834%0.34324%0.24SC..Hα-helixtrans-64.3-29.9-179.3-78.2-179.6177173.80113.4V118 D119 L166 L170V118-K122 HydrophobicContact CG1-CD 3.84Å; V118-K122 HydrophobicContact CG1-CG 4.1Å; V118-K122 WeakPolarHBondContact O-CB 3.29Å; V118-K122 WeakPolarHBondContact O-CG 3.39Å; V118-K122 PolarHBondContact O-N 3.44Å; D119-K122 PolarHBondContact O-N 3.37Å; K122-L166 WeakPolarHBondContact CE-O 3.32Å; K122-L166 PolarHBondContact NZ-O 2.94Å; K122-L170 HydrophobicContact CG-CD1 3.62Å; K122-L170 HydrophobicContact CG-CG 4.34Å
123S98.3Very high98.7Very high92 Ų9246.7 Ų46.764%0.64321%0.214SC*.Hα-helixtrans-73.4-26.6176.666.90000113.2D119 R120 I121D119-S123 PolarHBondContact O-N 3.05Å; D119-S123 PolarHBondContact O-OG 3.36Å; R120-S123 PolarHBondContact O-OG 3.21Å; I121-S123 VanDerWaalsContact C-N 3.28Å; I121-S123 PolarHBondContact O-N 3.44Å
124R98.2Very high98.6Very high143 Ų14347 Ų4754%0.5422%0.215SC..Hα-helixtrans-102.6-30.1-175.2-66.4177.9-178.5140.4-1114.3E104 I121E104-R124 IonicContact OE1-CZ 3.54Å; E104-R124 IonicContact OE1-NH1 3.62Å; E104-R124 PolarHBondContact OE1-NH1 3.2Å; E104-R124 IonicContact OE2-NH1 2.68Å; I121-R124 PolarHBondContact O-N 3.47Å
125Y98.5Very high98.5Very high37 Ų3747.8 Ų47.815%0.14522%0.221CC..  trans-122.8144.4-173-55.6-78.3000111.1I26 I52 I102 I121 L170I26-Y125 HydrophobicContact CD1-CD1 3.53Å; I26-Y125 HydrophobicContact CD1-CE1 4Å; I26-Y125 HydrophobicContact CD1-CG 4.45Å; I52-Y125 HydrophobicContact CD1-CD2 4.09Å; I52-Y125 HydrophobicContact CD1-CE2 3.7Å; I52-Y125 HydrophobicContact CG1-CE2 4.37Å; I102-Y125 WeakPolarHBondContact CD1-OH 3.36Å; I121-Y125 HydrophobicContact CD1-CD2 4.4Å; I121-Y125 HydrophobicContact CD1-CE2 4.25Å; I121-Y125 HydrophobicContact CG2-CD2 4Å; I121-Y125 WeakPolarHBondContact O-CD2 3.38Å; I121-Y125 PolarHBondContact O-N 3.44Å; Y125-L170 WeakPolarHBondContact O-CD2 3.22Å
126K98.2Very high98.3Very high172 Ų17245.1 Ų45.175%0.74822%0.222SC*.SBendtrans-98-12.4174-60.9-58.9-176.1-175.70113.4L170 N173K126-L170 VanDerWaalsContact C-CD2 3.41Å; K126-N173 WeakPolarHBondContact O-CB 3.22Å; K126-N173 PolarHBondContact O-ND2 3.17Å
127K98.5Very high98Very high81 Ų8142.7 Ų42.735%0.35221%0.212SC..  trans-151.9153.1-176.377.8177.5-174.6177.20110.7L170 N173 A174K127-L170 WeakPolarHBondContact CA-O 3.35Å; K127-N173 HydrophobicContact CB-CB 4.31Å; K127-A174 HydrophobicContact CB-CB 3.86Å; K127-A174 HydrophobicContact CG-CB 4.4Å
128I98.8Very high97.7Very high0 Ų043 Ų430%021%0.213CC..  trans-134.7119.4168.7-64.8-64.5000108.1I26 I28 I52 I121 F130 L170 L171 A174I26-I128 HydrophobicContact CB-CD1 4.34Å; I26-I128 HydrophobicContact CG2-CD1 3.71Å; I28-I128 HydrophobicContact CD1-CD1 3.89Å; I28-I128 HydrophobicContact CD1-CG1 4Å; I28-I128 HydrophobicContact CD1-CG2 4.05Å; I28-I128 HydrophobicContact CG1-CD1 4.12Å; I28-I128 HydrophobicContact CG1-CG2 4.2Å; I52-I128 HydrophobicContact CD1-CD1 3.85Å; I121-I128 HydrophobicContact CG2-CD1 4.08Å; I121-I128 HydrophobicContact CG2-CG1 4.25Å; I128-F130 WeakPolarHBondContact CG2-O 3.2Å; I128-L170 HydrophobicContact CB-CB 4.3Å; I128-L170 HydrophobicContact CG1-CB 4.01Å; I128-L170 HydrophobicContact CG1-CD1 4.36Å; I128-L170 PolarHBondContact N-O 3.4Å; I128-L171 HydrophobicContact CB-CD2 4.49Å; I128-L171 HydrophobicContact CG2-CD2 4.19Å; I128-L171 WeakPolarHBondContact O-CD2 3.45Å; I128-A174 VanDerWaalsContact C-CB 3.44Å; I128-A174 WeakPolarHBondContact O-CB 3.49Å
129D98.8Very high97.3Very high2 Ų244.4 Ų44.41%0.01122%0.22CC..SBendtrans-81.6-31.7-175.5-58.8-99.4000112.4K25 I26 S177 R178K25-D129 WeakPolarHBondContact CA-OD2 3.5Å; K25-D129 HydrophobicContact CB-CB 4.2Å; K25-D129 HydrophobicContact CD-CB 3.9Å; K25-D129 WeakPolarHBondContact CD-OD1 3.49Å; K25-D129 WeakPolarHBondContact CE-OD1 3.25Å; K25-D129 IonicContact NZ-OD1 2.64Å; K25-D129 PolarHBondContact NZ-OD1 3.02Å; I26-D129 PolarHBondContact N-OD2 2.94Å; I26-D129 PolarHBondContact O-N 2.87Å; D129-S177 CarbonylContact O-C 3.59Å; D129-S177 VanDerWaalsContact O-CA 3.27Å; D129-S177 WeakPolarHBondContact O-CA 3.4Å; D129-S177 VanDerWaalsContact O-CB 3.32Å; D129-S177 WeakPolarHBondContact O-CB 3.46Å; D129-R178 PolarHBondContact O-N 3.38Å
130F98.9Very high96.9Very high11 Ų1142.2 Ų42.25%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-136.1126180-54.1-87.5000111.7L22 K25 I26 A27 I28 I128 R178 A281L22-F130 HydrophobicContact CD1-CE2 4.47Å; L22-F130 HydrophobicContact CD2-CE2 4.04Å; L22-F130 HydrophobicContact CD2-CZ 3.87Å; K25-F130 HydrophobicContact CB-CE2 3.98Å; K25-F130 HydrophobicContact CG-CE2 4.31Å; I26-F130 PolarHBondContact O-N 3.03Å; I26-F130 VanDerWaalsContact O-N 3.08Å; A27-F130 CarbonylContact C-O 3.55Å; A27-F130 WeakPolarHBondContact CA-O 3.35Å; A27-F130 HydrophobicContact CB-CB 3.83Å; A27-F130 HydrophobicContact CB-CD2 4.23Å; A27-F130 HydrophobicContact CB-CG 4.44Å; I28-F130 PolarHBondContact N-O 3.16Å; I128-F130 WeakPolarHBondContact CG2-O 3.2Å; F130-R178 WeakPolarHBondContact CA-O 3.15Å; F130-R178 HydrophobicContact CD1-CB 3.95Å; F130-R178 HydrophobicContact CD1-CG 4.2Å; F130-R178 HydrophobicContact CE1-CB 4.36Å; F130-R178 HydrophobicContact CE1-CG 4.1Å; F130-A281 HydrophobicContact CD1-CB 4.38Å; F130-A281 HydrophobicContact CE1-CB 4.38Å; F130-A281 VanDerWaalsContact CE1-O 3.24Å; F130-A281 WeakPolarHBondContact CE1-O 3.44Å
131L98.9Very high96.7Very high0 Ų044.8 Ų44.80%023%0.225CC..EExtended strand (participates in β ladder)trans-109.3114.5164.1175.160.5000109.2I28 L163 T164 L167 L171 R178 I179 I180I28-L131 HydrophobicContact CB-CD1 4.02Å; I28-L131 HydrophobicContact CG2-CD1 3.91Å; L131-L163 HydrophobicContact CD1-CD2 4.16Å; L131-T164 HydrophobicContact CD2-CG2 4.31Å; L131-L167 HydrophobicContact CD1-CD1 4.02Å; L131-L167 HydrophobicContact CD2-CD1 4.16Å; L131-L171 HydrophobicContact CB-CD1 4.28Å; L131-L171 HydrophobicContact CB-CD2 4.03Å; L131-L171 HydrophobicContact CD2-CD1 4.13Å; L131-R178 PolarHBondContact N-O 3Å; L131-I179 HydrophobicContact CD2-CG2 4.4Å; L131-I179 CarbonylContact O-C 3.6Å; L131-I179 WeakPolarHBondContact O-CA 3.2Å; L131-I180 PolarHBondContact O-N 3.1Å
132I98.9Very high96.6Very high0 Ų047.6 Ų47.60%024%0.237CC..EExtended strand (participates in β ladder)trans-110.799.1178.9-51.2-174.6000109.1I28 V29 T30 T40 L44 N134 I180 T277I28-I132 PolarHBondContact O-N 3.35Å; V29-I132 HydrophobicContact CG1-CB 4.28Å; V29-I132 HydrophobicContact CG1-CG2 4.36Å; V29-I132 HydrophobicContact CG2-CB 4.36Å; V29-I132 HydrophobicContact CG2-CD1 4.17Å; T30-I132 PolarHBondContact N-O 3.27Å; T30-I132 PolarHBondContact OG1-O 2.95Å; T30-I132 VanDerWaalsContact OG1-O 3.08Å; T40-I132 HydrophobicContact CG2-CD1 3.66Å; T40-I132 HydrophobicContact CG2-CG2 4.48Å; L44-I132 HydrophobicContact CD1-CD1 3.52Å; I132-N134 HydrophobicContact CG2-CB 4Å; I132-N134 PolarHBondContact O-N 2.82Å; I132-I180 HydrophobicContact CG1-CB 4.48Å; I132-I180 HydrophobicContact CG1-CD1 4.36Å; I132-T277 HydrophobicContact CD1-CG2 4.2Å; I132-T277 HydrophobicContact CG2-CG2 3.79Å
133N98.9Very high96.6Very high7 Ų746.6 Ų46.64%0.03724%0.237CC..EExtended strand (participates in β ladder)trans-78.475.4172.9-67.2-41.8000109.2T30 P160 T164 I180 N181 V182T30-N133 WeakPolarHBondContact OG1-CA 3.5Å; N133-P160 HydrophobicContact CB-CB 4.16Å; N133-T164 PolarHBondContact ND2-OG1 3.32Å; N133-T164 VanDerWaalsContact ND2-OG1 3.08Å; N133-I180 PolarHBondContact N-O 2.99Å; N133-N181 VanDerWaalsContact CB-OD1 3.26Å; N133-N181 WeakPolarHBondContact CB-OD1 3.22Å; N133-N181 PolarHBondContact ND2-OD1 3.07Å; N133-V182 PolarHBondContact O-N 2.66Å
134N98.1Very high96.6Very high19 Ų1945.4 Ų45.410%0.10223%0.226CC..  trans-93.3-32.2-178.8160.790.2000113.3V29 T30 G31 G37 I132 G136 V182V29-N134 HydrophobicContact CG1-CB 4.46Å; T30-N134 WeakPolarHBondContact O-CB 3.32Å; T30-N134 PolarHBondContact O-ND2 3.17Å; T30-N134 PolarHBondContact OG1-N 2.87Å; G31-N134 PolarHBondContact O-ND2 2.83Å; G37-N134 VanDerWaalsContact CA-ND2 3.27Å; G37-N134 WeakPolarHBondContact CA-ND2 3.43Å; G37-N134 PolarHBondContact N-OD1 3.08Å; I132-N134 HydrophobicContact CG2-CB 4Å; I132-N134 PolarHBondContact O-N 2.82Å; N134-G136 PolarHBondContact O-N 2.84Å; N134-V182 HydrophobicContact CB-CG2 3.89Å
135A95.4Very high96.6Very high17 Ų1739 Ų3914%0.1420%0.203CC..  trans-54.4138.7-177.300000111.2T30 L108T30-A135 PolarHBondContact O-N 2.88Å; T30-A135 VanDerWaalsContact O-N 3.15Å; T30-A135 PolarHBondContact OG1-N 2.8Å; L108-A135 HydrophobicContact CD1-CB 3.51Å
136G94Very high96.5Very high35 Ų3543.3 Ų43.336%0.36122%0.224SC..  trans-170.1154.917500000112.3N134 N156N134-G136 PolarHBondContact O-N 2.84Å; G136-N156 WeakPolarHBondContact CA-OD1 3.2Å
137L93.5Very high96.5Very high33 Ų3338.1 Ų38.117%0.17321%0.205CC..  trans-139.3171.1178.363.172.7000111.1L139 M151 V155 N156 Y210 L247L137-L139 HydrophobicContact CD1-CD2 4.45Å; L137-L139 HydrophobicContact CD1-CG 4Å; L137-M151 HydrophobicContact CD1-CG 4.27Å; L137-M151 HydrophobicContact CD2-CG 4.31Å; L137-V155 HydrophobicContact CD2-CB 3.98Å; L137-V155 HydrophobicContact CD2-CG1 3.9Å; L137-V155 HydrophobicContact CD2-CG2 3.84Å; L137-V155 HydrophobicContact CG-CB 3.99Å; L137-V155 HydrophobicContact CG-CG1 3.88Å; L137-V155 HydrophobicContact CG-CG2 4.4Å; L137-N156 PolarHBondContact N-OD1 3.04Å; L137-N156 PolarHBondContact O-ND2 2.87Å; L137-N156 PolarHBondContact O-OD1 3.42Å; L137-Y210 WeakPolarHBondContact O-CD2 3.41Å; L137-L247 VanDerWaalsContact C-CD1 3.47Å; L137-L247 VanDerWaalsContact CA-CD1 3.4Å
138I92.4Very high96.4Very high5 Ų536.2 Ų36.23%0.02621%0.208CC..  trans-142.4136.4162.5-177.1174.2000107.1A206 M207 Y210 L247 L251I138-A206 HydrophobicContact CD1-CB 4.14Å; I138-A206 HydrophobicContact CG1-CB 4.18Å; I138-M207 HydrophobicContact CD1-SD 3.6Å; I138-Y210 HydrophobicContact CB-CD2 3.81Å; I138-Y210 HydrophobicContact CB-CE2 4.44Å; I138-Y210 HydrophobicContact CB-CG 4.28Å; I138-Y210 HydrophobicContact CD1-CD2 4.3Å; I138-Y210 HydrophobicContact CD1-CG 3.88Å; I138-Y210 HydrophobicContact CG1-CD2 4.29Å; I138-Y210 HydrophobicContact CG1-CG 4.31Å; I138-L247 HydrophobicContact CG2-CD1 4.14Å; I138-L247 HydrophobicContact CG2-CG 4.05Å; I138-L247 WeakPolarHBondContact CG2-O 3.11Å; I138-L251 HydrophobicContact CD1-CD1 4.15Å; I138-L251 HydrophobicContact CD1-CD2 4.14Å; I138-L251 HydrophobicContact CG1-CD2 4.25Å; I138-L251 HydrophobicContact CG2-CD1 4.19Å; I138-L251 HydrophobicContact CG2-CG 4.3Å
139L91.2Very high96.4Very high32 Ų3237.1 Ų37.117%0.16821%0.212CC..  trans-114.2138.2176.3-62.4-170.9000111.2L137 N141 T143 M151 Y204 A206 N250L137-L139 HydrophobicContact CD1-CD2 4.45Å; L137-L139 HydrophobicContact CD1-CG 4Å; L139-N141 VanDerWaalsContact C-N 3.35Å; L139-T143 WeakPolarHBondContact CD1-OG1 3.42Å; L139-M151 HydrophobicContact CD1-CB 3.89Å; L139-M151 HydrophobicContact CD1-CG 3.54Å; L139-M151 HydrophobicContact CG-CG 4.37Å; L139-Y204 PolarHBondContact O-OH 3.17Å; L139-A206 WeakPolarHBondContact O-CB 3.46Å; L139-N250 HydrophobicContact CD2-CB 4.28Å; L139-N250 WeakPolarHBondContact CD2-ND2 3.44Å
140Q90.2Very high96.3Very high57 Ų5737 Ų3727%0.26621%0.212SC..SBendtrans-62.6-44.2174.4179.26738.900111.7Y204 N250 L251 S253Q140-Y204 WeakPolarHBondContact O-CE1 3.42Å; Q140-N250 WeakPolarHBondContact CB-O 3.47Å; Q140-L251 HydrophobicContact CB-CD2 4.37Å; Q140-S253 PolarHBondContact NE2-OG 2.88Å; Q140-S253 PolarHBondContact OE1-OG 3.24Å
141N93.6Very high96.3Very high118 Ų11838 Ų3863%0.63122%0.217SC*.SBendtrans-104.7148.6-175.3-63-29.5000110.6L139 T143L139-N141 VanDerWaalsContact C-N 3.35Å; N141-T143 PolarHBondContact O-N 3.17Å
142Y97.1Very high96.2Very high60 Ų6038 Ų3824%0.23522%0.217CC..  trans-65.9123.2174.4-177.8-87.8000110.2T144 E150 Y199 K201 Y204Y142-T144 HydrophobicContact CE1-CG2 3.71Å; Y142-E150 HydrophobicContact CD2-CG 4.01Å; Y142-E150 HydrophobicContact CE2-CB 4.04Å; Y142-E150 HydrophobicContact CE2-CG 3.74Å; Y142-Y199 WeakPolarHBondContact CE2-O 3.36Å; Y142-K201 HydrophobicContact CD1-CB 3.68Å; Y142-K201 HydrophobicContact CD1-CD 4.09Å; Y142-K201 HydrophobicContact CD1-CG 3.67Å; Y142-K201 HydrophobicContact CD2-CB 4.29Å; Y142-K201 HydrophobicContact CE1-CB 3.77Å; Y142-K201 HydrophobicContact CE1-CG 4.22Å; Y142-K201 HydrophobicContact CE2-CB 4.35Å; Y142-K201 HydrophobicContact CG-CB 3.94Å; Y142-K201 HydrophobicContact CG-CG 3.95Å; Y142-Y204 AromaticContact CD2-CD2 3.67Å; Y142-Y204 HydrophobicContact CD2-CD2 3.67Å; Y142-Y204 HydrophobicContact CD2-CE2 4.41Å; Y142-Y204 AromaticContact CD2-CG 3.78Å; Y142-Y204 HydrophobicContact CD2-CG 3.78Å; Y142-Y204 HydrophobicContact CG-CG 4.33Å
143T97.6Very high96.2Very high58 Ų5838 Ų3836%0.35622%0.217SC..  trans-138.7171.9166.663.30000108.5L139 N141 M151L139-T143 WeakPolarHBondContact CD1-OG1 3.42Å; N141-T143 PolarHBondContact O-N 3.17Å; T143-M151 PolarHBondContact O-N 3.01Å; T143-M151 WeakPolarHBondContact OG1-CB 3.47Å
144T98.4Very high96.2Very high66 Ų6637.8 Ų37.841%0.40522%0.216SC..BIsolated β-bridgetrans-124.7151.2-177.547.50000111.9Y142 F149 M151Y142-T144 HydrophobicContact CE1-CG2 3.71Å; T144-F149 CarbonylContact C-O 3.51Å; T144-F149 WeakPolarHBondContact CA-O 3.33Å; T144-F149 WeakPolarHBondContact CB-O 3.44Å; T144-M151 WeakPolarHBondContact O-CE 3.43Å
145T98.3Very high96.2Very high8 Ų837.5 Ų37.55%0.04922%0.215CC..  trans-62.3169.2164.465.80000110.6A109 D147 G148 F149 M151A109-T145 HydrophobicContact CB-CG2 4.01Å; A109-T145 VanDerWaalsContact O-CB 3.27Å; A109-T145 WeakPolarHBondContact O-CB 3.44Å; T145-D147 PolarHBondContact O-N 2.72Å; T145-D147 PolarHBondContact OG1-N 2.91Å; T145-G148 PolarHBondContact O-N 2.74Å; T145-G148 PolarHBondContact OG1-N 3.5Å; T145-F149 HydrophobicContact CG2-CB 4.16Å; T145-F149 PolarHBondContact N-O 3.06Å; T145-F149 WeakPolarHBondContact OG1-CB 3.25Å; T145-F149 PolarHBondContact OG1-N 3.1Å; T145-M151 HydrophobicContact CG2-SD 4.01Å
146E96.8Very high96.3Very high128 Ų12836.8 Ų36.860%0.59821%0.209SC*.THydrogen-bonded Turntrans-61.4-30.9174.268.8-176.4-149.200111.9A109 S110 G148A109-E146 PolarHBondContact O-N 3.34Å; S110-E146 WeakPolarHBondContact CB-OE1 3.41Å; S110-E146 PolarHBondContact OG-OE1 3.17Å; E146-G148 VanDerWaalsContact C-N 3.26Å; E146-G148 PolarHBondContact O-N 2.99Å
147D98.1Very high96.5Very high63 Ų6335.2 Ų35.234%0.33719%0.192SC..THydrogen-bonded Turntrans-83.37.5176.6-46.1-88.1000113.9S110 L111 T145 F149S110-D147 WeakPolarHBondContact CA-OD2 3.41Å; L111-D147 WeakPolarHBondContact CB-OD1 3.18Å; L111-D147 HydrophobicContact CD1-CB 4.21Å; L111-D147 HydrophobicContact CG-CB 4.05Å; L111-D147 VanDerWaalsContact CG-CG 3.43Å; L111-D147 WeakPolarHBondContact CG-OD2 3.46Å; L111-D147 PolarHBondContact N-OD2 3.37Å; T145-D147 PolarHBondContact O-N 2.72Å; T145-D147 PolarHBondContact OG1-N 2.91Å; D147-F149 HydrophobicContact CB-CD2 3.87Å; D147-F149 HydrophobicContact CB-CE2 3.64Å
148G97.4Very high96.8Very high42 Ų4233.8 Ų33.843%0.43318%0.184SC..SBendtrans83.28.917400000116.5T145 E146T145-G148 PolarHBondContact O-N 2.74Å; T145-G148 PolarHBondContact OG1-N 3.5Å; E146-G148 VanDerWaalsContact C-N 3.26Å; E146-G148 PolarHBondContact O-N 2.99Å
149F98.1Very high97Very high19 Ų1933.6 Ų33.68%0.08318%0.184CC..  trans-79.3149.1174.6-56.5-64.3000111.7L111 T144 T145 D147 M151 I158 L320 L321L111-F149 HydrophobicContact CD1-CE2 3.94Å; L111-F149 HydrophobicContact CD1-CZ 4.45Å; L111-F149 HydrophobicContact CD2-CE2 4.22Å; L111-F149 HydrophobicContact CG-CE2 4.19Å; T144-F149 CarbonylContact C-O 3.51Å; T144-F149 WeakPolarHBondContact CA-O 3.33Å; T144-F149 WeakPolarHBondContact CB-O 3.44Å; T145-F149 HydrophobicContact CG2-CB 4.16Å; T145-F149 PolarHBondContact N-O 3.06Å; T145-F149 WeakPolarHBondContact OG1-CB 3.25Å; T145-F149 PolarHBondContact OG1-N 3.1Å; D147-F149 HydrophobicContact CB-CD2 3.87Å; D147-F149 HydrophobicContact CB-CE2 3.64Å; F149-M151 PolarHBondContact O-N 2.75Å; F149-I158 HydrophobicContact CB-CD1 3.91Å; F149-I158 HydrophobicContact CD1-CD1 3.46Å; F149-I158 VanDerWaalsContact CD1-CD1 3.46Å; F149-I158 HydrophobicContact CD2-CD1 4.29Å; F149-I158 HydrophobicContact CD2-CG2 4.12Å; F149-I158 HydrophobicContact CE1-CD1 4.05Å; F149-I158 HydrophobicContact CE2-CG2 4.01Å; F149-I158 HydrophobicContact CG-CD1 3.61Å; F149-I158 HydrophobicContact CG-CG2 4.47Å; F149-I158 HydrophobicContact CZ-CG2 4.25Å; F149-L320 HydrophobicContact CE1-CB 4.21Å; F149-L320 HydrophobicContact CE1-CD1 4.25Å; F149-L321 HydrophobicContact CZ-CD2 4.48Å
150E97.9Very high97.4Very high0 Ų032.1 Ų32.10%018%0.176CC..BIsolated β-bridgetrans-58.1125.7170.1-178-78.6125.800108.7Y142 T152 M153 G154 Q198 Y204Y142-E150 HydrophobicContact CD2-CG 4.01Å; Y142-E150 HydrophobicContact CE2-CB 4.04Å; Y142-E150 HydrophobicContact CE2-CG 3.74Å; E150-T152 VanDerWaalsContact C-N 3.31Å; E150-T152 VanDerWaalsContact CD-N 3.34Å; E150-T152 PolarHBondContact O-N 3.25Å; E150-T152 VanDerWaalsContact O-N 3.13Å; E150-T152 WeakPolarHBondContact OE1-CA 3.42Å; E150-T152 WeakPolarHBondContact OE1-CB 3.32Å; E150-T152 PolarHBondContact OE1-N 3.08Å; E150-T152 PolarHBondContact OE1-OG1 3.25Å; E150-T152 WeakPolarHBondContact OE2-CB 3.46Å; E150-M153 PolarHBondContact O-N 3.3Å; E150-M153 WeakPolarHBondContact OE2-CB 3.45Å; E150-M153 VanDerWaalsContact OE2-CG 3.32Å; E150-M153 WeakPolarHBondContact OE2-CG 3.28Å; E150-M153 PolarHBondContact OE2-N 3.41Å; E150-G154 PolarHBondContact O-N 3.42Å; E150-Q198 HydrophobicContact CB-CB 4.06Å; E150-Q198 HydrophobicContact CB-CG 4.26Å; E150-Q198 VanDerWaalsContact N-CD 3.33Å; E150-Q198 VanDerWaalsContact N-NE2 3.15Å; E150-Q198 VanDerWaalsContact N-OE1 3.11Å; E150-Y204 HydrophobicContact CG-CD2 4.01Å; E150-Y204 HydrophobicContact CG-CE2 3.85Å; E150-Y204 VanDerWaalsContact OE1-CE2 3.31Å; E150-Y204 WeakPolarHBondContact OE1-CE2 3.41Å
151M98.1Very high97.8Very high31 Ų3129.4 Ų29.415%0.15316%0.164CC..Hα-helixtrans-54.2-40.6-164-175.664.576.700114.6A109 L137 L139 T143 T144 T145 F149 G154 V155A109-M151 HydrophobicContact CB-SD 3.85Å; L137-M151 HydrophobicContact CD1-CG 4.27Å; L137-M151 HydrophobicContact CD2-CG 4.31Å; L139-M151 HydrophobicContact CD1-CB 3.89Å; L139-M151 HydrophobicContact CD1-CG 3.54Å; L139-M151 HydrophobicContact CG-CG 4.37Å; T143-M151 PolarHBondContact O-N 3.01Å; T143-M151 WeakPolarHBondContact OG1-CB 3.47Å; T144-M151 WeakPolarHBondContact O-CE 3.43Å; T145-M151 HydrophobicContact CG2-SD 4.01Å; F149-M151 PolarHBondContact O-N 2.75Å; M151-G154 PolarHBondContact O-N 3.46Å; M151-V155 WeakPolarHBondContact O-CB 3.2Å; M151-V155 PolarHBondContact O-N 3.33Å; M151-V155 HydrophobicContact SD-CG2 3.96Å
152T97.4Very high98Very high0 Ų023.8 Ų23.80%013%0.134CC..Hα-helixtrans-66.6-47.9178.6-50.30000111.2E150 N156 Y204 Y210E150-T152 VanDerWaalsContact C-N 3.31Å; E150-T152 VanDerWaalsContact CD-N 3.34Å; E150-T152 PolarHBondContact O-N 3.25Å; E150-T152 VanDerWaalsContact O-N 3.13Å; E150-T152 WeakPolarHBondContact OE1-CA 3.42Å; E150-T152 WeakPolarHBondContact OE1-CB 3.32Å; E150-T152 PolarHBondContact OE1-N 3.08Å; E150-T152 PolarHBondContact OE1-OG1 3.25Å; E150-T152 WeakPolarHBondContact OE2-CB 3.46Å; T152-N156 WeakPolarHBondContact O-CB 3.36Å; T152-N156 VanDerWaalsContact O-CG 3.24Å; T152-N156 PolarHBondContact O-N 3.34Å; T152-Y204 PolarHBondContact OG1-OH 3.24Å; T152-Y210 HydrophobicContact CG2-CD2 4.17Å
153M98.1Very high98.1Very high0 Ų021 Ų210%012%0.122CC..Hα-helixtrans-63.2-41.7173.8-77.4-56.8-60.200112.5E150 Y157 I158 L197 Q198 L212 S213 A216 F313E150-M153 PolarHBondContact O-N 3.3Å; E150-M153 WeakPolarHBondContact OE2-CB 3.45Å; E150-M153 VanDerWaalsContact OE2-CG 3.32Å; E150-M153 WeakPolarHBondContact OE2-CG 3.28Å; E150-M153 PolarHBondContact OE2-N 3.41Å; M153-Y157 HydrophobicContact CE-CD1 3.66Å; M153-Y157 HydrophobicContact CE-CG 4.2Å; M153-Y157 WeakPolarHBondContact O-CB 3.44Å; M153-Y157 PolarHBondContact O-N 3.36Å; M153-I158 PolarHBondContact O-N 2.76Å; M153-L197 WeakPolarHBondContact CE-O 3.3Å; M153-Q198 HydrophobicContact CB-CB 4.15Å; M153-Q198 HydrophobicContact CG-CB 3.87Å; M153-L212 HydrophobicContact CE-CG 4.3Å; M153-L212 HydrophobicContact SD-CB 4.25Å; M153-L212 HydrophobicContact SD-CD2 4.06Å; M153-L212 HydrophobicContact SD-CG 3.71Å; M153-S213 WeakPolarHBondContact SD-CA 3.35Å; M153-S213 PolarHBondContact SD-N 2.88Å; M153-S213 VanDerWaalsContact SD-N 3.44Å; M153-A216 HydrophobicContact CE-CB 4.08Å; M153-F313 HydrophobicContact CE-CZ 4.15Å
154G98.3Very high98.2Very high2 Ų218.2 Ų18.22%0.02111%0.105CC..Iπ-helixtrans-54.1-60.2175.700000111.6E150 M151 I158 G159E150-G154 PolarHBondContact O-N 3.42Å; M151-G154 PolarHBondContact O-N 3.46Å; G154-I158 PolarHBondContact O-N 3.32Å; G154-G159 PolarHBondContact O-N 3.14Å
155V98.3Very high98.1Very high13 Ų1315.9 Ų15.98%0.0799%0.09CC..Iπ-helixtrans-74-41.1-175171.80000113.2L108 A109 L137 M151 P160L108-V155 HydrophobicContact CB-CG1 4.24Å; A109-V155 HydrophobicContact CB-CG2 3.72Å; L137-V155 HydrophobicContact CD2-CB 3.98Å; L137-V155 HydrophobicContact CD2-CG1 3.9Å; L137-V155 HydrophobicContact CD2-CG2 3.84Å; L137-V155 HydrophobicContact CG-CB 3.99Å; L137-V155 HydrophobicContact CG-CG1 3.88Å; L137-V155 HydrophobicContact CG-CG2 4.4Å; M151-V155 WeakPolarHBondContact O-CB 3.2Å; M151-V155 PolarHBondContact O-N 3.33Å; M151-V155 HydrophobicContact SD-CG2 3.96Å; V155-P160 WeakPolarHBondContact O-CD 3.39Å; V155-P160 WeakPolarHBondContact O-CG 3.38Å
156N98Very high98.1Very high2 Ų217.3 Ų17.31%0.01110%0.097CC..Iπ-helixtrans-83.4-21.9-172.4-64.41.7000113.1G136 L137 T152 S213 N217G136-N156 WeakPolarHBondContact CA-OD1 3.2Å; L137-N156 PolarHBondContact N-OD1 3.04Å; L137-N156 PolarHBondContact O-ND2 2.87Å; L137-N156 PolarHBondContact O-OD1 3.42Å; T152-N156 WeakPolarHBondContact O-CB 3.36Å; T152-N156 VanDerWaalsContact O-CG 3.24Å; T152-N156 PolarHBondContact O-N 3.34Å; N156-S213 PolarHBondContact ND2-OG 3.11Å; N156-N217 PolarHBondContact O-ND2 3.27Å
157Y98.4Very high98.2Very high2 Ų211.2 Ų11.21%0.0087%0.069CC..Iπ-helixtrans-132.8-59.9-173.5170.7-112.5000114M153 G159 P160 F161 A216 H220 F313 T317M153-Y157 HydrophobicContact CE-CD1 3.66Å; M153-Y157 HydrophobicContact CE-CG 4.2Å; M153-Y157 WeakPolarHBondContact O-CB 3.44Å; M153-Y157 PolarHBondContact O-N 3.36Å; Y157-G159 PolarHBondContact O-N 2.91Å; Y157-P160 WeakPolarHBondContact O-CD 3.36Å; Y157-F161 HydrophobicContact CE2-CB 4.08Å; Y157-F161 AromaticContact CE2-CD2 3.93Å; Y157-F161 HydrophobicContact CE2-CD2 3.93Å; Y157-F161 HydrophobicContact CE2-CG 4.39Å; Y157-F161 AromaticContact CZ-CD2 3.91Å; Y157-F161 VanDerWaalsContact O-CB 3.28Å; Y157-F161 WeakPolarHBondContact O-CB 3.3Å; Y157-F161 PolarHBondContact O-N 3.34Å; Y157-F161 WeakPolarHBondContact OH-CD2 3.48Å; Y157-A216 HydrophobicContact CD1-CB 3.86Å; Y157-A216 HydrophobicContact CD2-CB 3.64Å; Y157-A216 HydrophobicContact CE1-CB 4.32Å; Y157-A216 HydrophobicContact CE2-CB 4.15Å; Y157-A216 HydrophobicContact CG-CB 3.48Å; Y157-A216 VanDerWaalsContact CG-CB 3.48Å; Y157-H220 HydrophobicContact CE2-CB 3.79Å; Y157-F313 AromaticContact CD1-CE1 3.93Å; Y157-F313 HydrophobicContact CD1-CE1 3.93Å; Y157-F313 HydrophobicContact CD1-CZ 4.45Å; Y157-F313 HydrophobicContact CE1-CD1 4.05Å; Y157-F313 AromaticContact CE1-CE1 3.29Å; Y157-F313 HydrophobicContact CE1-CE1 3.29Å; Y157-F313 HydrophobicContact CE1-CZ 4.15Å; Y157-F313 HydrophobicContact CE2-CE1 4.21Å; Y157-F313 AromaticContact CZ-CD1 3.85Å; Y157-F313 AromaticContact CZ-CE1 3.44Å; Y157-F313 VanDerWaalsContact CZ-CE1 3.44Å; Y157-F313 WeakPolarHBondContact OH-CD1 3.12Å; Y157-T317 HydrophobicContact CE1-CG2 3.85Å; Y157-T317 WeakPolarHBondContact CE1-OG1 3.09Å; Y157-T317 PolarHBondContact OH-OG1 3.43Å
158I98.4Very high98.2Very high3 Ų38.3 Ų8.32%0.0155%0.053CC..Iπ-helixtrans-64.2-45.8-170-63174.6000110.8L111 F149 M153 G154 F161 L162 L321L111-I158 HydrophobicContact CD2-CG2 4.47Å; F149-I158 HydrophobicContact CB-CD1 3.91Å; F149-I158 HydrophobicContact CD1-CD1 3.46Å; F149-I158 VanDerWaalsContact CD1-CD1 3.46Å; F149-I158 HydrophobicContact CD2-CD1 4.29Å; F149-I158 HydrophobicContact CD2-CG2 4.12Å; F149-I158 HydrophobicContact CE1-CD1 4.05Å; F149-I158 HydrophobicContact CE2-CG2 4.01Å; F149-I158 HydrophobicContact CG-CD1 3.61Å; F149-I158 HydrophobicContact CG-CG2 4.47Å; F149-I158 HydrophobicContact CZ-CG2 4.25Å; M153-I158 PolarHBondContact O-N 2.76Å; G154-I158 PolarHBondContact O-N 3.32Å; I158-F161 WeakPolarHBondContact O-CB 3.21Å; I158-F161 PolarHBondContact O-N 3.29Å; I158-L162 PolarHBondContact O-N 3.46Å; I158-L321 HydrophobicContact CG2-CD1 4.45Å; I158-L321 HydrophobicContact CG2-CD2 3.7Å; I158-L321 HydrophobicContact CG2-CG 4.27Å
159G98.5Very high98.1Very high1 Ų19.5 Ų9.51%0.015%0.053CC..Hα-helixtrans-60.5-54.4175.400000112.5I114 G154 Y157 F161 L162 L163I114-G159 VanDerWaalsContact CD1-CA 3.4Å; G154-G159 PolarHBondContact O-N 3.14Å; Y157-G159 PolarHBondContact O-N 2.91Å; G159-F161 VanDerWaalsContact C-N 3.26Å; G159-F161 PolarHBondContact O-N 3.01Å; G159-L162 PolarHBondContact O-N 3.43Å; G159-L163 WeakPolarHBondContact O-CB 3.38Å; G159-L163 PolarHBondContact O-N 3.42Å
160P98.7Very high98.2Very high2 Ų29 Ų91%0.0135%0.051CC..Hα-helixtrans-57.6-32.8174-30.737.3000114.8L108 N133 V155 Y157 T164L108-P160 HydrophobicContact CD1-CG 4.04Å; L108-P160 HydrophobicContact CD2-CG 4.27Å; N133-P160 HydrophobicContact CB-CB 4.16Å; V155-P160 WeakPolarHBondContact O-CD 3.39Å; V155-P160 WeakPolarHBondContact O-CG 3.38Å; Y157-P160 WeakPolarHBondContact O-CD 3.36Å; P160-T164 VanDerWaalsContact O-CB 3.31Å; P160-T164 WeakPolarHBondContact O-CB 3.37Å; P160-T164 PolarHBondContact O-N 2.83Å; P160-T164 PolarHBondContact O-OG1 3.31Å
161F98.5Very high98.2Very high0 Ų09 Ų90%05%0.051CC..Hα-helixtrans-62.3-56.1173.3-177.8-83.7000110.1Y157 I158 G159 L163 T164 E165 H220 W314 T317 L321 I323Y157-F161 HydrophobicContact CE2-CB 4.08Å; Y157-F161 AromaticContact CE2-CD2 3.93Å; Y157-F161 HydrophobicContact CE2-CD2 3.93Å; Y157-F161 HydrophobicContact CE2-CG 4.39Å; Y157-F161 AromaticContact CZ-CD2 3.91Å; Y157-F161 VanDerWaalsContact O-CB 3.28Å; Y157-F161 WeakPolarHBondContact O-CB 3.3Å; Y157-F161 PolarHBondContact O-N 3.34Å; Y157-F161 WeakPolarHBondContact OH-CD2 3.48Å; I158-F161 WeakPolarHBondContact O-CB 3.21Å; I158-F161 PolarHBondContact O-N 3.29Å; G159-F161 VanDerWaalsContact C-N 3.26Å; G159-F161 PolarHBondContact O-N 3.01Å; F161-L163 VanDerWaalsContact C-N 3.32Å; F161-L163 PolarHBondContact O-N 3.11Å; F161-T164 WeakPolarHBondContact O-CB 3.33Å; F161-T164 PolarHBondContact O-N 3.34Å; F161-T164 VanDerWaalsContact O-N 3.13Å; F161-E165 HydrophobicContact CD1-CG 4.08Å; F161-E165 HydrophobicContact CE1-CG 3.79Å; F161-E165 HydrophobicContact CZ-CG 4.19Å; F161-E165 WeakPolarHBondContact O-CG 3.44Å; F161-E165 PolarHBondContact O-N 2.91Å; F161-H220 AromaticContact CD2-CD2 3.53Å; F161-H220 AromaticContact CD2-CE1 3.72Å; F161-H220 AromaticContact CD2-CG 3.89Å; F161-H220 AromaticContact CD2-ND1 3.98Å; F161-H220 AromaticContact CD2-NE2 3.45Å; F161-H220 WeakPolarHBondContact CD2-NE2 3.27Å; F161-H220 AromaticContact CE2-CD2 3.71Å; F161-H220 AromaticContact CE2-NE2 3.78Å; F161-W314 AromaticContact CE2-CD2 3.95Å; F161-W314 HydrophobicContact CE2-CD2 3.95Å; F161-W314 AromaticContact CE2-CE3 3.74Å; F161-W314 HydrophobicContact CE2-CE3 3.74Å; F161-W314 HydrophobicContact CE2-CH2 4.15Å; F161-W314 HydrophobicContact CE2-CZ2 4.36Å; F161-W314 AromaticContact CE2-CZ3 3.87Å; F161-W314 HydrophobicContact CE2-CZ3 3.87Å; F161-W314 HydrophobicContact CZ-CD2 4.03Å; F161-W314 AromaticContact CZ-CE2 3.96Å; F161-W314 HydrophobicContact CZ-CE3 4.26Å; F161-W314 HydrophobicContact CZ-CH2 4.3Å; F161-W314 HydrophobicContact CZ-CZ2 4.09Å; F161-W314 HydrophobicContact CZ-CZ3 4.41Å; F161-T317 HydrophobicContact CB-CG2 4.33Å; F161-T317 HydrophobicContact CD1-CG2 3.53Å; F161-T317 HydrophobicContact CD2-CG2 4.11Å; F161-T317 HydrophobicContact CE1-CG2 3.75Å; F161-T317 HydrophobicContact CE2-CG2 4.32Å; F161-T317 HydrophobicContact CG-CG2 3.72Å; F161-T317 HydrophobicContact CZ-CG2 4.16Å; F161-L321 HydrophobicContact CD1-CD1 3.51Å; F161-L321 HydrophobicContact CE1-CD1 4Å; F161-I323 HydrophobicContact CE1-CD1 4.15Å
162L98.5Very high98.2Very high0 Ų010.8 Ų10.80%06%0.058CC..Hα-helixtrans-57.9-44.7177.918062.6000111.9L111 I114 I158 G159 T164 E165 L166 L321 I323L111-L162 HydrophobicContact CB-CD2 4.12Å; L111-L162 HydrophobicContact CD2-CD2 3.71Å; L111-L162 HydrophobicContact CG-CD2 4.36Å; I114-L162 HydrophobicContact CB-CD2 4.23Å; I114-L162 HydrophobicContact CD1-CD2 4.36Å; I114-L162 HydrophobicContact CG2-CB 4.35Å; I114-L162 HydrophobicContact CG2-CD2 3.94Å; I114-L162 HydrophobicContact CG2-CG 3.93Å; I158-L162 PolarHBondContact O-N 3.46Å; G159-L162 PolarHBondContact O-N 3.43Å; L162-T164 VanDerWaalsContact C-N 3.3Å; L162-T164 PolarHBondContact O-N 3.05Å; L162-E165 PolarHBondContact O-N 2.88Å; L162-L166 HydrophobicContact CD1-CD1 3.74Å; L162-L166 HydrophobicContact CD1-CD2 4.42Å; L162-L166 HydrophobicContact CD1-CG 3.88Å; L162-L166 HydrophobicContact CD2-CD1 4.35Å; L162-L166 HydrophobicContact CG-CD1 3.75Å; L162-L166 HydrophobicContact CG-CG 4.27Å; L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.05Å; L162-L166 PolarHBondContact O-N 3.3Å; L162-L321 HydrophobicContact CB-CD1 4.03Å; L162-L321 HydrophobicContact CB-CD2 4.46Å; L162-L321 HydrophobicContact CD1-CD1 4.49Å; L162-I323 HydrophobicContact CD1-CD1 4.05Å; L162-I323 HydrophobicContact CD1-CG2 4.18Å
163L98.8Very high98.2Very high0 Ų016.3 Ų16.30%09%0.088CC..Hα-helixtrans-57.4-45177.6178.865000111.6T30 L106 L108 I114 F117 V118 L131 G159 F161 L167T30-L163 HydrophobicContact CG2-CD2 3.79Å; L106-L163 HydrophobicContact CD2-CD2 3.92Å; L108-L163 HydrophobicContact CD2-CD2 4.32Å; I114-L163 HydrophobicContact CG2-CB 4.05Å; I114-L163 HydrophobicContact CG2-CD1 4.3Å; F117-L163 HydrophobicContact CD1-CD1 3.67Å; F117-L163 HydrophobicContact CE1-CD1 3.72Å; V118-L163 HydrophobicContact CG2-CD1 3.78Å; L131-L163 HydrophobicContact CD1-CD2 4.16Å; G159-L163 WeakPolarHBondContact O-CB 3.38Å; G159-L163 PolarHBondContact O-N 3.42Å; F161-L163 VanDerWaalsContact C-N 3.32Å; F161-L163 PolarHBondContact O-N 3.11Å; L163-L167 HydrophobicContact CD1-CD1 3.66Å; L163-L167 HydrophobicContact CD1-CG 4.21Å; L163-L167 HydrophobicContact CG-CD1 3.91Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.34Å; L163-L167 PolarHBondContact O-N 3.07Å; L163-L167 VanDerWaalsContact O-N 3.13Å
164T98.5Very high98.2Very high0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-62.1-54.1179.3-59.20000110.2L131 N133 P160 F161 L162 L166 L167 L168 I179 L224L131-T164 HydrophobicContact CD2-CG2 4.31Å; N133-T164 PolarHBondContact ND2-OG1 3.32Å; N133-T164 VanDerWaalsContact ND2-OG1 3.08Å; P160-T164 VanDerWaalsContact O-CB 3.31Å; P160-T164 WeakPolarHBondContact O-CB 3.37Å; P160-T164 PolarHBondContact O-N 2.83Å; P160-T164 PolarHBondContact O-OG1 3.31Å; F161-T164 WeakPolarHBondContact O-CB 3.33Å; F161-T164 PolarHBondContact O-N 3.34Å; F161-T164 VanDerWaalsContact O-N 3.13Å; L162-T164 VanDerWaalsContact C-N 3.3Å; L162-T164 PolarHBondContact O-N 3.05Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 3.09Å; T164-L167 PolarHBondContact O-N 2.86Å; T164-L167 VanDerWaalsContact O-N 3.1Å; T164-L168 HydrophobicContact CG2-CD2 4.39Å; T164-L168 WeakPolarHBondContact O-CG 3.47Å; T164-L168 PolarHBondContact O-N 2.9Å; T164-I179 HydrophobicContact CG2-CD1 3.89Å; T164-I179 HydrophobicContact CG2-CG2 4.03Å; T164-L224 HydrophobicContact CG2-CD2 3.76Å
165E97.7Very high98.1Very high18 Ų1818.8 Ų18.88%0.08411%0.108CC..Hα-helixtrans-53.9-46.4-179.7-70.3-61.5114.400112.1F161 L162 L167 L168 W314 I323 N327F161-E165 HydrophobicContact CD1-CG 4.08Å; F161-E165 HydrophobicContact CE1-CG 3.79Å; F161-E165 HydrophobicContact CZ-CG 4.19Å; F161-E165 WeakPolarHBondContact O-CG 3.44Å; F161-E165 PolarHBondContact O-N 2.91Å; L162-E165 PolarHBondContact O-N 2.88Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 3.14Å; E165-L168 PolarHBondContact O-N 3.24Å; E165-W314 WeakPolarHBondContact OE1-CH2 3.31Å; E165-I323 HydrophobicContact CB-CD1 4.22Å; E165-I323 HydrophobicContact CG-CD1 4.16Å; E165-N327 PolarHBondContact OE1-ND2 3Å; E165-N327 PolarHBondContact OE2-ND2 3.17Å
166L97.8Very high98.1Very high37 Ų3723.3 Ų23.319%0.19414%0.138CC..Hα-helixtrans-71.7-25.8-178.1-65.2175000113.6I114 R115 V118 K122 L162 T164I114-L166 HydrophobicContact CG2-CD1 4.3Å; R115-L166 HydrophobicContact CG-CD1 3.96Å; V118-L166 HydrophobicContact CB-CB 4.33Å; V118-L166 HydrophobicContact CG1-CB 3.95Å; V118-L166 HydrophobicContact CG2-CB 3.92Å; V118-L166 HydrophobicContact CG2-CD1 4.3Å; K122-L166 WeakPolarHBondContact CE-O 3.32Å; K122-L166 PolarHBondContact NZ-O 2.94Å; L162-L166 HydrophobicContact CD1-CD1 3.74Å; L162-L166 HydrophobicContact CD1-CD2 4.42Å; L162-L166 HydrophobicContact CD1-CG 3.88Å; L162-L166 HydrophobicContact CD2-CD1 4.35Å; L162-L166 HydrophobicContact CG-CD1 3.75Å; L162-L166 HydrophobicContact CG-CG 4.27Å; L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.05Å; L162-L166 PolarHBondContact O-N 3.3Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 3.09Å
167L98.3Very high98.1Very high0 Ų023.3 Ų23.30%014%0.138CC..Hα-helixtrans-89.7-9.5177.4-72176.1000113.7I28 V118 I121 L131 L163 T164 E165 P169 L170 L171I28-L167 HydrophobicContact CD1-CD1 3.7Å; I28-L167 HydrophobicContact CD1-CD2 4.35Å; V118-L167 HydrophobicContact CG1-CD2 4.07Å; V118-L167 HydrophobicContact CG2-CD2 4.08Å; V118-L167 HydrophobicContact CG2-CG 4.04Å; I121-L167 HydrophobicContact CB-CD2 4.47Å; I121-L167 HydrophobicContact CG2-CD2 4.09Å; L131-L167 HydrophobicContact CD1-CD1 4.02Å; L131-L167 HydrophobicContact CD2-CD1 4.16Å; L163-L167 HydrophobicContact CD1-CD1 3.66Å; L163-L167 HydrophobicContact CD1-CG 4.21Å; L163-L167 HydrophobicContact CG-CD1 3.91Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.34Å; L163-L167 PolarHBondContact O-N 3.07Å; L163-L167 VanDerWaalsContact O-N 3.13Å; T164-L167 PolarHBondContact O-N 2.86Å; T164-L167 VanDerWaalsContact O-N 3.1Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 3.14Å; L167-P169 VanDerWaalsContact C-CD 3.43Å; L167-P169 VanDerWaalsContact C-N 3.31Å; L167-L170 HydrophobicContact CD2-CD1 3.59Å; L167-L170 WeakPolarHBondContact O-CB 3.38Å; L167-L170 PolarHBondContact O-N 2.68Å; L167-L171 HydrophobicContact CB-CD1 4.08Å; L167-L171 PolarHBondContact O-N 3.08Å; L167-L171 VanDerWaalsContact O-N 3.09Å
168L97.7Very high98.1Very high2 Ų224.3 Ų24.31%0.0114%0.142CC..Hα-helixtrans-50.5-41.3-178.6-76.8-179.7000114.3T164 E165 L170 L171 K172 I179 L228 N327T164-L168 HydrophobicContact CG2-CD2 4.39Å; T164-L168 WeakPolarHBondContact O-CG 3.47Å; T164-L168 PolarHBondContact O-N 2.9Å; E165-L168 PolarHBondContact O-N 3.24Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.03Å; L168-L171 HydrophobicContact CD2-CD1 4.34Å; L168-L171 PolarHBondContact O-N 3.48Å; L168-K172 WeakPolarHBondContact O-CB 3.15Å; L168-K172 WeakPolarHBondContact O-CG 3.08Å; L168-K172 PolarHBondContact O-N 3.45Å; L168-I179 HydrophobicContact CD2-CD1 3.85Å; L168-L228 HydrophobicContact CD1-CD2 4.33Å; L168-L228 HydrophobicContact CD2-CD1 4.02Å; L168-L228 HydrophobicContact CD2-CD2 3.88Å; L168-N327 HydrophobicContact CD1-CB 4.44Å; L168-N327 WeakPolarHBondContact CD1-ND2 3.2Å
169P97Very high98.1Very high68 Ų6824.2 Ų24.244%0.44214%0.141SC..Hα-helixtrans-57.7-42176.5-26.936.1000113.5L167 K172 N173L167-P169 VanDerWaalsContact C-CD 3.43Å; L167-P169 VanDerWaalsContact C-N 3.31Å; P169-K172 PolarHBondContact O-N 3.22Å; P169-N173 PolarHBondContact O-N 2.89Å; P169-N173 PolarHBondContact O-OD1 3.45Å
170L98.5Very high98.1Very high8 Ų824.1 Ų24.14%0.04214%0.141CC..Hα-helixtrans-69.7-35.9178-70.4155.6000112I121 K122 Y125 K126 K127 I128 L167 L168 A174I121-L170 HydrophobicContact CG2-CD1 3.9Å; K122-L170 HydrophobicContact CG-CD1 3.62Å; K122-L170 HydrophobicContact CG-CG 4.34Å; Y125-L170 WeakPolarHBondContact O-CD2 3.22Å; K126-L170 VanDerWaalsContact C-CD2 3.41Å; K127-L170 WeakPolarHBondContact CA-O 3.35Å; I128-L170 HydrophobicContact CB-CB 4.3Å; I128-L170 HydrophobicContact CG1-CB 4.01Å; I128-L170 HydrophobicContact CG1-CD1 4.36Å; I128-L170 PolarHBondContact N-O 3.4Å; L167-L170 HydrophobicContact CD2-CD1 3.59Å; L167-L170 WeakPolarHBondContact O-CB 3.38Å; L167-L170 PolarHBondContact O-N 2.68Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.03Å; L170-A174 PolarHBondContact O-N 3.44Å
171L98.6Very high98.1Very high0 Ų024 Ų240%014%0.14CC..Hα-helixtrans-68.9-42.4176.6-73155.1000111I128 L131 L167 L168 A174 A175 S177 I179 V233I128-L171 HydrophobicContact CB-CD2 4.49Å; I128-L171 HydrophobicContact CG2-CD2 4.19Å; I128-L171 WeakPolarHBondContact O-CD2 3.45Å; L131-L171 HydrophobicContact CB-CD1 4.28Å; L131-L171 HydrophobicContact CB-CD2 4.03Å; L131-L171 HydrophobicContact CD2-CD1 4.13Å; L167-L171 HydrophobicContact CB-CD1 4.08Å; L167-L171 PolarHBondContact O-N 3.08Å; L167-L171 VanDerWaalsContact O-N 3.09Å; L168-L171 HydrophobicContact CD2-CD1 4.34Å; L168-L171 PolarHBondContact O-N 3.48Å; L171-A174 PolarHBondContact O-N 3.42Å; L171-A174 VanDerWaalsContact O-N 3.13Å; L171-A175 PolarHBondContact O-N 3.37Å; L171-S177 WeakPolarHBondContact O-CB 3.3Å; L171-S177 PolarHBondContact O-OG 2.96Å; L171-I179 HydrophobicContact CD1-CD1 3.91Å; L171-I179 HydrophobicContact CD1-CG1 3.83Å; L171-I179 HydrophobicContact CD2-CG1 4.16Å; L171-V233 HydrophobicContact CB-CG1 4.39Å; L171-V233 HydrophobicContact CB-CG2 4.48Å
172K98Very high98.1Very high69 Ų6924.4 Ų24.430%0.314%0.142SC..Hα-helixtrans-61.9-42.1174.6-71.6179.5178.4-173.80111.1L168 P169 A174 A175 C231 V233L168-K172 WeakPolarHBondContact O-CB 3.15Å; L168-K172 WeakPolarHBondContact O-CG 3.08Å; L168-K172 PolarHBondContact O-N 3.45Å; P169-K172 PolarHBondContact O-N 3.22Å; K172-A174 PolarHBondContact O-N 2.9Å; K172-A175 WeakPolarHBondContact O-CB 3.45Å; K172-A175 PolarHBondContact O-N 3.41Å; K172-A175 VanDerWaalsContact O-N 3.16Å; K172-C231 HydrophobicContact CG-CB 4.36Å; K172-V233 HydrophobicContact CB-CG2 4.5Å; K172-V233 HydrophobicContact CG-CG2 3.97Å
173N98Very high98Very high115 Ų11524.5 Ų24.562%0.61514%0.143SC*.Hα-helixtrans-62.7-22174.6-70.8-8.1000114.2K126 K127 P169K126-N173 WeakPolarHBondContact O-CB 3.22Å; K126-N173 PolarHBondContact O-ND2 3.17Å; K127-N173 HydrophobicContact CB-CB 4.31Å; P169-N173 PolarHBondContact O-N 2.89Å; P169-N173 PolarHBondContact O-OD1 3.45Å
174A98.1Very high97.8Very high6 Ų625 Ų255%0.0515%0.147CC..THydrogen-bonded Turntrans-952.6179.900000113.6K127 I128 L170 L171 K172 P176K127-A174 HydrophobicContact CB-CB 3.86Å; K127-A174 HydrophobicContact CG-CB 4.4Å; I128-A174 VanDerWaalsContact C-CB 3.44Å; I128-A174 WeakPolarHBondContact O-CB 3.49Å; L170-A174 PolarHBondContact O-N 3.44Å; L171-A174 PolarHBondContact O-N 3.42Å; L171-A174 VanDerWaalsContact O-N 3.13Å; K172-A174 PolarHBondContact O-N 2.9Å; A174-P176 CarbonylContact O-C 3.6Å; A174-P176 VanDerWaalsContact O-C 3.28Å
175A96.3Very high97.5Very high48 Ų4827.6 Ų27.640%0.39716%0.164SC..SBendtrans-49.7129.6-175.700000111.4L171 K172L171-A175 PolarHBondContact O-N 3.37Å; K172-A175 WeakPolarHBondContact O-CB 3.45Å; K172-A175 PolarHBondContact O-N 3.41Å; K172-A175 VanDerWaalsContact O-N 3.16Å
176P96.7Very high97.3Very high109 Ų10929 Ų2971%0.70817%0.172SC*.SBendcis-74.31231.330.6-34.4000113.2A174 G232A174-P176 CarbonylContact O-C 3.6Å; A174-P176 VanDerWaalsContact O-C 3.28Å; P176-G232 WeakPolarHBondContact CA-O 3.22Å
177S98.3Very high97.2Very high1 Ų127.2 Ų27.21%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-128.8167.3179.8710000111.6D129 L171 G232 V233 V234D129-S177 CarbonylContact O-C 3.59Å; D129-S177 VanDerWaalsContact O-CA 3.27Å; D129-S177 WeakPolarHBondContact O-CA 3.4Å; D129-S177 VanDerWaalsContact O-CB 3.32Å; D129-S177 WeakPolarHBondContact O-CB 3.46Å; L171-S177 WeakPolarHBondContact O-CB 3.3Å; L171-S177 PolarHBondContact O-OG 2.96Å; S177-G232 PolarHBondContact N-O 3.37Å; S177-V233 WeakPolarHBondContact OG-CG2 3.43Å; S177-V234 PolarHBondContact O-N 2.98Å
178R98.6Very high97Very high24 Ų2432.9 Ų32.99%0.09119%0.187CC..EExtended strand (participates in β ladder)trans-134.6140-172.7-52.8-173.8-169.9-168.8-3.4113.3D129 F130 L131 I180 V234 T280 A281 T283 E284 L286D129-R178 PolarHBondContact O-N 3.38Å; F130-R178 WeakPolarHBondContact CA-O 3.15Å; F130-R178 HydrophobicContact CD1-CB 3.95Å; F130-R178 HydrophobicContact CD1-CG 4.2Å; F130-R178 HydrophobicContact CE1-CB 4.36Å; F130-R178 HydrophobicContact CE1-CG 4.1Å; L131-R178 PolarHBondContact N-O 3Å; R178-I180 HydrophobicContact CB-CG1 4.4Å; R178-V234 VanDerWaalsContact CA-O 3.31Å; R178-V234 WeakPolarHBondContact CA-O 3.27Å; R178-T280 WeakPolarHBondContact CD-O 3.4Å; R178-T280 PolarHBondContact NH1-O 3.31Å; R178-A281 PolarHBondContact NH1-O 3.03Å; R178-T283 PolarHBondContact NH1-O 2.9Å; R178-T283 PolarHBondContact NH2-O 3.3Å; R178-E284 IonicContact NH2-OE2 3.83Å; R178-L286 VanDerWaalsContact CZ-CD1 3.46Å
179I98.8Very high96.8Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-115.8122.4170.6-56.7164.4000107.5L131 T164 L168 L171 I221 L224 L228 V233 V234 A235 V236L131-I179 HydrophobicContact CD2-CG2 4.4Å; L131-I179 CarbonylContact O-C 3.6Å; L131-I179 WeakPolarHBondContact O-CA 3.2Å; T164-I179 HydrophobicContact CG2-CD1 3.89Å; T164-I179 HydrophobicContact CG2-CG2 4.03Å; L168-I179 HydrophobicContact CD2-CD1 3.85Å; L171-I179 HydrophobicContact CD1-CD1 3.91Å; L171-I179 HydrophobicContact CD1-CG1 3.83Å; L171-I179 HydrophobicContact CD2-CG1 4.16Å; I179-I221 HydrophobicContact CG2-CD1 4.31Å; I179-L224 HydrophobicContact CD1-CD2 3.81Å; I179-L224 HydrophobicContact CG2-CD2 4.28Å; I179-L228 HydrophobicContact CD1-CD1 3.78Å; I179-V233 HydrophobicContact CD1-CG1 3.68Å; I179-V233 HydrophobicContact CG1-CG1 3.98Å; I179-V234 PolarHBondContact N-O 3.05Å; I179-A235 HydrophobicContact CB-CB 4.27Å; I179-A235 CarbonylContact O-C 3.58Å; I179-A235 WeakPolarHBondContact O-CA 3.04Å; I179-V236 PolarHBondContact O-N 3.35Å
180I98.9Very high96.7Very high0 Ų034.2 Ų34.20%019%0.191CC..EExtended strand (participates in β ladder)trans-126.1110.1-173.2-56.4170000109.4L131 I132 N133 R178 V236 L238 T277 A281L131-I180 PolarHBondContact O-N 3.1Å; I132-I180 HydrophobicContact CG1-CB 4.48Å; I132-I180 HydrophobicContact CG1-CD1 4.36Å; N133-I180 PolarHBondContact N-O 2.99Å; R178-I180 HydrophobicContact CB-CG1 4.4Å; I180-V236 WeakPolarHBondContact CA-O 3.49Å; I180-V236 HydrophobicContact CG1-CG2 4.09Å; I180-L238 HydrophobicContact CG2-CD2 3.5Å; I180-L238 HydrophobicContact CG2-CG 4.44Å; I180-T277 HydrophobicContact CG2-CG2 4.24Å; I180-A281 HydrophobicContact CD1-CB 3.88Å
181N98.7Very high96.5Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-95.6122.9175.1-71.2-1.6000111.6N133 S183 N217 H220 I221 V236 S237 L238N133-N181 VanDerWaalsContact CB-OD1 3.26Å; N133-N181 WeakPolarHBondContact CB-OD1 3.22Å; N133-N181 PolarHBondContact ND2-OD1 3.07Å; N181-S183 PolarHBondContact O-N 3.13Å; N181-S183 VanDerWaalsContact O-N 3.1Å; N181-N217 HydrophobicContact CB-CB 4.27Å; N181-H220 PolarHBondContact ND2-ND1 2.92Å; N181-I221 HydrophobicContact CB-CD1 4.05Å; N181-I221 HydrophobicContact CB-CG1 3.79Å; N181-I221 WeakPolarHBondContact ND2-CD1 3.3Å; N181-I221 WeakPolarHBondContact ND2-CG1 3.27Å; N181-V236 PolarHBondContact N-O 3.47Å; N181-S237 CarbonylContact O-C 3.29Å; N181-S237 VanDerWaalsContact O-CA 3.25Å; N181-S237 WeakPolarHBondContact O-CA 3.27Å; N181-L238 PolarHBondContact O-N 2.93Å
182V97.7Very high96.3Very high8 Ų840.3 Ų40.35%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-80.594.9174.3-1760000110N133 N134 K214 L238 P240N133-V182 PolarHBondContact O-N 2.66Å; N134-V182 HydrophobicContact CB-CG2 3.89Å; V182-K214 PolarHBondContact O-NZ 3.41Å; V182-L238 HydrophobicContact CG1-CD1 4.23Å; V182-L238 HydrophobicContact CG2-CD1 4.33Å; V182-P240 HydrophobicContact CG1-CB 4.43Å; V182-P240 HydrophobicContact CG1-CG 3.84Å
183S96.6Very high96Very high1 Ų138.5 Ų38.51%0.00721%0.211CC..  trans-85.4-157172.6-174.50000111.1N181 K214 L238 P240N181-S183 PolarHBondContact O-N 3.13Å; N181-S183 VanDerWaalsContact O-N 3.1Å; S183-K214 PolarHBondContact OG-O 2.86Å; S183-L238 CarbonylContact C-O 3.58Å; S183-L238 WeakPolarHBondContact CA-O 3.47Å; S183-L238 WeakPolarHBondContact CB-O 3.45Å; S183-L238 PolarHBondContact N-O 3.02Å; S183-P240 WeakPolarHBondContact O-CD 3.42Å
184S94Very high95.9Very high12 Ų1238 Ų388%0.08420%0.203CC..  trans-152.4161.8178.3-177.80000110.9L186 H187 Y291S184-L186 PolarHBondContact O-N 2.84Å; S184-L186 PolarHBondContact OG-N 2.9Å; S184-H187 WeakPolarHBondContact O-CB 3.44Å; S184-H187 PolarHBondContact O-N 3.35Å; S184-H187 PolarHBondContact O-ND1 2.9Å; S184-Y291 VanDerWaalsContact C-OH 3.26Å; S184-Y291 PolarHBondContact O-OH 3.12Å
185S93Very high95.7Very high53 Ų5342 Ų4237%0.37123%0.228SC..G310 helixtrans-59.3-29.8169.453.80000112.2H187 K188 H239S185-H187 PolarHBondContact O-N 3.08Å; S185-H187 VanDerWaalsContact O-N 3.08Å; S185-H187 PolarHBondContact O-ND1 3.37Å; S185-K188 PolarHBondContact O-N 2.82Å; S185-H239 PolarHBondContact N-ND1 2.67Å
186L93.5Very high95.6Very high48 Ų4845.4 Ų45.425%0.25124%0.236SC..G310 helixtrans-63.3-11.5177.7-65.5176.4000114.2S184 K188 D189 M207 Y210 S211S184-L186 PolarHBondContact O-N 2.84Å; S184-L186 PolarHBondContact OG-N 2.9Å; L186-K188 PolarHBondContact O-N 3.44Å; L186-K188 VanDerWaalsContact O-N 3.08Å; L186-D189 PolarHBondContact O-N 3.08Å; L186-M207 HydrophobicContact CD1-CE 3.56Å; L186-Y210 HydrophobicContact CD1-CD1 3.87Å; L186-Y210 HydrophobicContact CD1-CE1 3.89Å; L186-S211 WeakPolarHBondContact O-CB 3.23Å
187H95.6Very high95.5Very high0 Ų040.4 Ų40.40%020%0.203CC..G310 helixtrans-58.3-21.5172.583.9-79.1000113.1S184 S185 D189 G190 K214 L215 Y291 P300 S301S184-H187 WeakPolarHBondContact O-CB 3.44Å; S184-H187 PolarHBondContact O-N 3.35Å; S184-H187 PolarHBondContact O-ND1 2.9Å; S185-H187 PolarHBondContact O-N 3.08Å; S185-H187 VanDerWaalsContact O-N 3.08Å; S185-H187 PolarHBondContact O-ND1 3.37Å; H187-D189 VanDerWaalsContact C-N 3.26Å; H187-D189 PolarHBondContact O-N 3.4Å; H187-G190 PolarHBondContact O-N 3.36Å; H187-K214 VanDerWaalsContact CB-C 3.41Å; H187-K214 HydrophobicContact CB-CB 4Å; H187-K214 WeakPolarHBondContact CB-O 3.16Å; H187-L215 HydrophobicContact CB-CB 4.42Å; H187-Y291 AromaticContact CE1-CE1 3.71Å; H187-Y291 AromaticContact CE1-CE2 3.62Å; H187-Y291 AromaticContact CE1-CZ 3.28Å; H187-Y291 PolarHBondContact CE1-OH 3.32Å; H187-Y291 VanDerWaalsContact CE1-OH 3.24Å; H187-Y291 AromaticContact ND1-CE2 3.78Å; H187-Y291 AromaticContact ND1-CZ 3.59Å; H187-Y291 PolarHBondContact ND1-OH 3.43Å; H187-Y291 VanDerWaalsContact ND1-OH 3.17Å; H187-P300 WeakPolarHBondContact NE2-CA 3.43Å; H187-S301 PolarHBondContact NE2-N 2.98Å
188K94.4Very high95.4Very high118 Ų11842 Ų4251%0.51321%0.211SC..G310 helixtrans-68.3-26.7175.9-65.2-179.1179.5-178.70112.9S185 L186 R191S185-K188 PolarHBondContact O-N 2.82Å; L186-K188 PolarHBondContact O-N 3.44Å; L186-K188 VanDerWaalsContact O-N 3.08Å; K188-R191 PolarHBondContact O-NH1 3.06Å
189D94Very high95.4Very high98 Ų9842 Ų4252%0.52421%0.211SC..THydrogen-bonded Turntrans-94-6.5-179.8-55.6-45.3000112.4L186 H187 R191L186-D189 PolarHBondContact O-N 3.08Å; H187-D189 VanDerWaalsContact C-N 3.26Å; H187-D189 PolarHBondContact O-N 3.4Å; D189-R191 PolarHBondContact O-NH1 2.82Å
190G94.6Very high95.2Very high0 Ų044.8 Ų44.80%023%0.23CC..  trans-58.4141.2174.200000112.1H187H187-G190 PolarHBondContact O-N 3.36Å
191R94.3Very high95.1Very high108 Ų10852.4 Ų52.441%0.40826%0.263SS..  trans-136.6129.4174.7-63.2-65.2-178.2-87-2.2108.2K188 D189 P193 Y199 L212 Y303K188-R191 PolarHBondContact O-NH1 3.06Å; D189-R191 PolarHBondContact O-NH1 2.82Å; R191-P193 WeakPolarHBondContact O-CD 3.45Å; R191-Y199 PolarHBondContact O-OH 3.33Å; R191-Y199 VanDerWaalsContact O-OH 3.11Å; R191-L212 WeakPolarHBondContact O-CD1 3.31Å; R191-Y303 VanDerWaalsContact CZ-CE2 3.44Å; R191-Y303 VanDerWaalsContact CZ-OH 3.25Å; R191-Y303 PolarHBondContact NE-OH 2.88Å
192I93.1Very high95Very high29 Ų2961.7 Ų61.715%0.14930%0.304CS..  trans-80.1116.5-179-52.3169.2000107.8K194 L212 L215 M219 D309 W312 F313I192-K194 HydrophobicContact CG2-CG 3.93Å; I192-K194 PolarHBondContact O-N 2.8Å; I192-L212 HydrophobicContact CG1-CD1 4.4Å; I192-L215 HydrophobicContact CG1-CD2 4.14Å; I192-M219 HydrophobicContact CD1-CE 3.75Å; I192-M219 HydrophobicContact CD1-SD 3.86Å; I192-D309 HydrophobicContact CD1-CB 4.13Å; I192-W312 HydrophobicContact CG2-CE3 4.31Å; I192-W312 HydrophobicContact CG2-CH2 4.25Å; I192-W312 HydrophobicContact CG2-CZ3 3.53Å; I192-F313 HydrophobicContact CD1-CD2 4.08Å; I192-F313 HydrophobicContact CG1-CD2 4.23Å; I192-F313 HydrophobicContact CG1-CE2 4.24Å; I192-F313 HydrophobicContact CG2-CD2 4.06Å; I192-F313 HydrophobicContact CG2-CE2 4.1Å
193P93.4Very high94.9Very high31 Ų3166.1 Ų66.120%0.20133%0.327CS..  trans-81.560.1-177.934.6-34.5000111R191 H196 Y199 L212R191-P193 WeakPolarHBondContact O-CD 3.45Å; P193-H196 CarbonylContact C-O 3.42Å; P193-H196 VanDerWaalsContact C-O 3.29Å; P193-H196 CarbonylContact O-C 3.44Å; P193-H196 WeakPolarHBondContact O-CA 3.48Å; P193-H196 PolarHBondContact O-N 3.18Å; P193-Y199 HydrophobicContact CB-CD1 4.16Å; P193-Y199 HydrophobicContact CB-CE1 3.99Å; P193-Y199 HydrophobicContact CG-CD1 4.33Å; P193-Y199 HydrophobicContact CG-CE1 4.29Å; P193-L212 HydrophobicContact CG-CD2 4.01Å
194K94.1Very high94.9Very high103 Ų10367.4 Ų67.445%0.44833%0.332SS..THydrogen-bonded Turntrans-51.5137.5179.1-76.6-177.41701740110.5I192 D309 W312I192-K194 HydrophobicContact CG2-CG 3.93Å; I192-K194 PolarHBondContact O-N 2.8Å; K194-D309 IonicContact NZ-OD1 3.38Å; K194-D309 PolarHBondContact NZ-OD1 3.35Å; K194-W312 HydrophobicContact CG-CE3 4.36Å; K194-W312 HydrophobicContact CG-CH2 3.79Å; K194-W312 HydrophobicContact CG-CZ2 4.02Å; K194-W312 HydrophobicContact CG-CZ3 3.96Å
195P95.2Very high95Very high91 Ų9173.1 Ų73.159%0.59136%0.355SS*.THydrogen-bonded Turncis-85.68.89.435.7-36.9000115.2W312P195-W312 WeakPolarHBondContact O-CZ2 3.27Å
196H94.6Very high95.1Very high119 Ų11971.1 Ų71.155%0.55134%0.342SS*.  trans-98.6156-178.5-53.1-69.6000112.8P193P193-H196 CarbonylContact C-O 3.42Å; P193-H196 VanDerWaalsContact C-O 3.29Å; P193-H196 CarbonylContact O-C 3.44Å; P193-H196 WeakPolarHBondContact O-CA 3.48Å; P193-H196 PolarHBondContact O-N 3.18Å
197L94.4Very high95.1Very high4 Ų473.2 Ų73.22%0.02135%0.351CS..SBendtrans-88-9.8173.5-74.8175000113.8M153 L212 W312 F313 K316 T317 L320M153-L197 WeakPolarHBondContact CE-O 3.3Å; L197-L212 WeakPolarHBondContact O-CD2 3.46Å; L197-W312 HydrophobicContact CD2-CE3 4.37Å; L197-W312 HydrophobicContact CD2-CH2 4.08Å; L197-W312 HydrophobicContact CD2-CZ3 3.58Å; L197-W312 HydrophobicContact CG-CH2 4.4Å; L197-W312 HydrophobicContact CG-CZ3 4.38Å; L197-F313 HydrophobicContact CD2-CB 4.37Å; L197-F313 HydrophobicContact CD2-CD1 3.9Å; L197-F313 HydrophobicContact CD2-CD2 3.29Å; L197-F313 HydrophobicContact CD2-CE1 3.93Å; L197-F313 HydrophobicContact CD2-CE2 3.32Å; L197-F313 HydrophobicContact CD2-CG 3.59Å; L197-F313 HydrophobicContact CD2-CZ 3.64Å; L197-K316 HydrophobicContact CD1-CB 3.75Å; L197-K316 HydrophobicContact CD1-CG 3.6Å; L197-K316 HydrophobicContact CD2-CB 4.32Å; L197-K316 HydrophobicContact CD2-CG 4.41Å; L197-K316 HydrophobicContact CG-CB 4.07Å; L197-K316 HydrophobicContact CG-CG 3.71Å; L197-T317 VanDerWaalsContact CD1-OG1 3.27Å; L197-T317 WeakPolarHBondContact CD1-OG1 3.48Å; L197-L320 HydrophobicContact CB-CD1 4.38Å; L197-L320 HydrophobicContact CD1-CD1 3.71Å; L197-L320 HydrophobicContact CG-CD1 4.47Å
198Q96.6Very high95.1Very high36 Ų3678.4 Ų78.417%0.16837%0.374CS..SBendtrans-144.5159.4-174.665.2-172.232.300110.8E150 M153E150-Q198 HydrophobicContact CB-CB 4.06Å; E150-Q198 HydrophobicContact CB-CG 4.26Å; E150-Q198 VanDerWaalsContact N-CD 3.33Å; E150-Q198 VanDerWaalsContact N-NE2 3.15Å; E150-Q198 VanDerWaalsContact N-OE1 3.11Å; M153-Q198 HydrophobicContact CB-CB 4.15Å; M153-Q198 HydrophobicContact CG-CB 3.87Å
199Y97Very high95.2Very high24 Ų2472.8 Ų72.89%0.09435%0.35CS..  trans-76.8140.9175.9-66.1-78000110.8Y142 R191 P193 N203 K208 A209 L212Y142-Y199 WeakPolarHBondContact CE2-O 3.36Å; R191-Y199 PolarHBondContact O-OH 3.33Å; R191-Y199 VanDerWaalsContact O-OH 3.11Å; P193-Y199 HydrophobicContact CB-CD1 4.16Å; P193-Y199 HydrophobicContact CB-CE1 3.99Å; P193-Y199 HydrophobicContact CG-CD1 4.33Å; P193-Y199 HydrophobicContact CG-CE1 4.29Å; Y199-N203 HydrophobicContact CD1-CB 4.4Å; Y199-K208 HydrophobicContact CE2-CB 3.86Å; Y199-A209 HydrophobicContact CD2-CB 4.18Å; Y199-L212 HydrophobicContact CD2-CD2 3.99Å; Y199-L212 HydrophobicContact CE2-CB 4.06Å; Y199-L212 HydrophobicContact CE2-CD2 3.63Å
200S96.2Very high95.3Very high58 Ų5869.1 Ų69.141%0.40633%0.329SS..  trans-72.7163.1168.6670000111.2K202 N203 Y204S200-K202 PolarHBondContact O-N 3.46Å; S200-N203 CarbonylContact O-C 3.57Å; S200-N203 PolarHBondContact O-N 3.23Å; S200-N203 PolarHBondContact OG-ND2 3.01Å; S200-Y204 PolarHBondContact O-N 3.08Å
201K97Very high95.4Very high160 Ų16069.5 Ų69.570%0.69633%0.331SS*.G310 helixtrans-48.9-43.5175.4-173.1174.2-179179.60112.9Y142 N203 Y204Y142-K201 HydrophobicContact CD1-CB 3.68Å; Y142-K201 HydrophobicContact CD1-CD 4.09Å; Y142-K201 HydrophobicContact CD1-CG 3.67Å; Y142-K201 HydrophobicContact CD2-CB 4.29Å; Y142-K201 HydrophobicContact CE1-CB 3.77Å; Y142-K201 HydrophobicContact CE1-CG 4.22Å; Y142-K201 HydrophobicContact CE2-CB 4.35Å; Y142-K201 HydrophobicContact CG-CB 3.94Å; Y142-K201 HydrophobicContact CG-CG 3.95Å; K201-N203 VanDerWaalsContact C-N 3.34Å; K201-N203 PolarHBondContact O-N 3.39Å; K201-Y204 PolarHBondContact O-N 3.26Å
202K96.1Very high95.6Very high195 Ų19564.3 Ų64.385%0.84831%0.312SS*.G310 helixtrans-65-33.9-179.7-176.7177.3177.51790113.3S200S200-K202 PolarHBondContact O-N 3.46Å
203N95.6Very high95.8Very high101 Ų10163 Ų6354%0.5431%0.305SS..G310 helixtrans-1024.1-174.9-66.9-33.7000113Y199 S200 K201 K205Y199-N203 HydrophobicContact CD1-CB 4.4Å; S200-N203 CarbonylContact O-C 3.57Å; S200-N203 PolarHBondContact O-N 3.23Å; S200-N203 PolarHBondContact OG-ND2 3.01Å; K201-N203 VanDerWaalsContact C-N 3.34Å; K201-N203 PolarHBondContact O-N 3.39Å; N203-K205 PolarHBondContact O-N 3.47Å
204Y97.1Very high96Very high28 Ų2861.8 Ų61.811%0.1130%0.296CS..  trans-67.4129.2-173.8-175.6-100.3000111.8L139 Q140 Y142 E150 T152 S200 K201 A206 A209L139-Y204 PolarHBondContact O-OH 3.17Å; Q140-Y204 WeakPolarHBondContact O-CE1 3.42Å; Y142-Y204 AromaticContact CD2-CD2 3.67Å; Y142-Y204 HydrophobicContact CD2-CD2 3.67Å; Y142-Y204 HydrophobicContact CD2-CE2 4.41Å; Y142-Y204 AromaticContact CD2-CG 3.78Å; Y142-Y204 HydrophobicContact CD2-CG 3.78Å; Y142-Y204 HydrophobicContact CG-CG 4.33Å; E150-Y204 HydrophobicContact CG-CD2 4.01Å; E150-Y204 HydrophobicContact CG-CE2 3.85Å; E150-Y204 VanDerWaalsContact OE1-CE2 3.31Å; E150-Y204 WeakPolarHBondContact OE1-CE2 3.41Å; T152-Y204 PolarHBondContact OG1-OH 3.24Å; S200-Y204 PolarHBondContact O-N 3.08Å; K201-Y204 PolarHBondContact O-N 3.26Å; Y204-A206 HydrophobicContact CE1-CB 4.32Å; Y204-A209 HydrophobicContact CD2-CB 4.05Å; Y204-A209 HydrophobicContact CE2-CB 3.42Å; Y204-A209 VanDerWaalsContact CE2-CB 3.42Å
205K95.5Very high96.1Very high132 Ų13256.9 Ų56.957%0.57428%0.275SS*.  trans-137.3124164.6-63.2-171178.1-1690107.2N203 M207 K208 A209N203-K205 PolarHBondContact O-N 3.47Å; K205-M207 VanDerWaalsContact C-N 3.3Å; K205-M207 PolarHBondContact O-N 2.93Å; K205-K208 HydrophobicContact CB-CB 4.13Å; K205-K208 HydrophobicContact CB-CD 4.24Å; K205-K208 HydrophobicContact CB-CG 4.05Å; K205-K208 HydrophobicContact CD-CD 4.21Å; K205-K208 WeakPolarHBondContact O-CA 3.41Å; K205-K208 WeakPolarHBondContact O-CB 3.45Å; K205-K208 PolarHBondContact O-N 3.41Å; K205-A209 PolarHBondContact O-N 2.85Å
206A94.3Very high96.3Very high11 Ų1152.5 Ų52.59%0.09125%0.247CC..Hα-helixtrans-47.2-50.9-173.600000113I138 L139 Y204 K208 A209 Y210 L251I138-A206 HydrophobicContact CD1-CB 4.14Å; I138-A206 HydrophobicContact CG1-CB 4.18Å; L139-A206 WeakPolarHBondContact O-CB 3.46Å; Y204-A206 HydrophobicContact CE1-CB 4.32Å; A206-K208 PolarHBondContact O-N 3.49Å; A206-A209 PolarHBondContact O-N 2.95Å; A206-Y210 WeakPolarHBondContact O-CB 3.26Å; A206-Y210 PolarHBondContact O-N 3.04Å; A206-L251 HydrophobicContact CB-CD2 3.98Å
207M93.3Very high96.4Very high91 Ų9147 Ų4745%0.44822%0.222SC..Hα-helixtrans-67.6-32.2-179.9-66.4-53.1-61.400113.7I138 L186 K205 S211 L251I138-M207 HydrophobicContact CD1-SD 3.6Å; L186-M207 HydrophobicContact CD1-CE 3.56Å; K205-M207 VanDerWaalsContact C-N 3.3Å; K205-M207 PolarHBondContact O-N 2.93Å; M207-S211 VanDerWaalsContact O-CB 3.26Å; M207-S211 WeakPolarHBondContact O-CB 3.4Å; M207-S211 PolarHBondContact O-N 2.95Å; M207-S211 PolarHBondContact O-OG 3.04Å; M207-L251 HydrophobicContact SD-CD1 4.48Å
208K96.1Very high96.6Very high109 Ų10946.9 Ų46.947%0.47422%0.221SC..Hα-helixtrans-69.4-45.1174.8-70.7-168.3173.8-172.30111Y199 K205 A206 S211 L212Y199-K208 HydrophobicContact CE2-CB 3.86Å; K205-K208 HydrophobicContact CB-CB 4.13Å; K205-K208 HydrophobicContact CB-CD 4.24Å; K205-K208 HydrophobicContact CB-CG 4.05Å; K205-K208 HydrophobicContact CD-CD 4.21Å; K205-K208 WeakPolarHBondContact O-CA 3.41Å; K205-K208 WeakPolarHBondContact O-CB 3.45Å; K205-K208 PolarHBondContact O-N 3.41Å; A206-K208 PolarHBondContact O-N 3.49Å; K208-S211 PolarHBondContact O-N 2.78Å; K208-L212 WeakPolarHBondContact O-CB 3.39Å; K208-L212 PolarHBondContact O-N 3.39Å
209A97Very high96.7Very high0 Ų045.2 Ų45.20%021%0.213CC..Hα-helixtrans-62.4-45.217700000111.4Y199 Y204 K205 A206 L212 S213Y199-A209 HydrophobicContact CD2-CB 4.18Å; Y204-A209 HydrophobicContact CD2-CB 4.05Å; Y204-A209 HydrophobicContact CE2-CB 3.42Å; Y204-A209 VanDerWaalsContact CE2-CB 3.42Å; K205-A209 PolarHBondContact O-N 2.85Å; A206-A209 PolarHBondContact O-N 2.95Å; A209-L212 PolarHBondContact O-N 2.9Å; A209-S213 PolarHBondContact O-N 2.74Å
210Y96Very high96.7Very high22 Ų2244.3 Ų44.39%0.08621%0.209CC..Hα-helixtrans-61.7-48.1175.7-173.9-102.9000112.3L137 I138 T152 L186 A206 L212 S213 K214 L247L137-Y210 WeakPolarHBondContact O-CD2 3.41Å; I138-Y210 HydrophobicContact CB-CD2 3.81Å; I138-Y210 HydrophobicContact CB-CE2 4.44Å; I138-Y210 HydrophobicContact CB-CG 4.28Å; I138-Y210 HydrophobicContact CD1-CD2 4.3Å; I138-Y210 HydrophobicContact CD1-CG 3.88Å; I138-Y210 HydrophobicContact CG1-CD2 4.29Å; I138-Y210 HydrophobicContact CG1-CG 4.31Å; T152-Y210 HydrophobicContact CG2-CD2 4.17Å; L186-Y210 HydrophobicContact CD1-CD1 3.87Å; L186-Y210 HydrophobicContact CD1-CE1 3.89Å; A206-Y210 WeakPolarHBondContact O-CB 3.26Å; A206-Y210 PolarHBondContact O-N 3.04Å; Y210-L212 VanDerWaalsContact C-N 3.3Å; Y210-L212 PolarHBondContact O-N 3.2Å; Y210-S213 PolarHBondContact O-N 3.42Å; Y210-S213 VanDerWaalsContact O-N 3.09Å; Y210-S213 PolarHBondContact O-OG 3.15Å; Y210-K214 HydrophobicContact CD1-CG 4.28Å; Y210-K214 HydrophobicContact CE1-CG 3.87Å; Y210-K214 HydrophobicContact CE2-CD 4.48Å; Y210-K214 HydrophobicContact CE2-CG 4.32Å; Y210-K214 VanDerWaalsContact CZ-CE 3.45Å; Y210-K214 WeakPolarHBondContact O-CG 3.4Å; Y210-K214 PolarHBondContact O-N 2.96Å; Y210-K214 VanDerWaalsContact OH-CE 3.25Å; Y210-K214 WeakPolarHBondContact OH-CE 3.41Å; Y210-L247 HydrophobicContact CE2-CD1 4.31Å; Y210-L247 HydrophobicContact CE2-CD2 4.02Å; Y210-L247 VanDerWaalsContact OH-CD2 3.27Å; Y210-L247 WeakPolarHBondContact OH-CD2 3.03Å
211S96.4Very high96.8Very high7 Ų741.5 Ų41.55%0.04919%0.19CC..Hα-helixtrans-60.9-38.7178-58.10000112.2L186 M207 K208 K214 L215L186-S211 WeakPolarHBondContact O-CB 3.23Å; M207-S211 VanDerWaalsContact O-CB 3.26Å; M207-S211 WeakPolarHBondContact O-CB 3.4Å; M207-S211 PolarHBondContact O-N 2.95Å; M207-S211 PolarHBondContact O-OG 3.04Å; K208-S211 PolarHBondContact O-N 2.78Å; S211-K214 PolarHBondContact O-N 3.08Å; S211-L215 WeakPolarHBondContact O-CB 3.42Å; S211-L215 PolarHBondContact O-N 3.27Å
212L97.7Very high96.9Very high0 Ų034.9 Ų34.90%016%0.162CC..Hα-helixtrans-62.7-45.2171.8175.458.2000111.6M153 R191 I192 P193 L197 Y199 K208 A209 Y210 K214 L215 A216 F313M153-L212 HydrophobicContact CE-CG 4.3Å; M153-L212 HydrophobicContact SD-CB 4.25Å; M153-L212 HydrophobicContact SD-CD2 4.06Å; M153-L212 HydrophobicContact SD-CG 3.71Å; R191-L212 WeakPolarHBondContact O-CD1 3.31Å; I192-L212 HydrophobicContact CG1-CD1 4.4Å; P193-L212 HydrophobicContact CG-CD2 4.01Å; L197-L212 WeakPolarHBondContact O-CD2 3.46Å; Y199-L212 HydrophobicContact CD2-CD2 3.99Å; Y199-L212 HydrophobicContact CE2-CB 4.06Å; Y199-L212 HydrophobicContact CE2-CD2 3.63Å; K208-L212 WeakPolarHBondContact O-CB 3.39Å; K208-L212 PolarHBondContact O-N 3.39Å; A209-L212 PolarHBondContact O-N 2.9Å; Y210-L212 VanDerWaalsContact C-N 3.3Å; Y210-L212 PolarHBondContact O-N 3.2Å; L212-K214 PolarHBondContact O-N 3.06Å; L212-L215 WeakPolarHBondContact O-CB 3.38Å; L212-L215 PolarHBondContact O-N 3.25Å; L212-A216 WeakPolarHBondContact O-CB 3.43Å; L212-A216 PolarHBondContact O-N 3.29Å; L212-F313 HydrophobicContact CD1-CE2 4.28Å
213S97.9Very high96.9Very high0 Ų026 Ų260%012%0.123CC..Hα-helixtrans-61.3-35.1178.478.80000112.8M153 N156 A209 Y210 A216 N217M153-S213 WeakPolarHBondContact SD-CA 3.35Å; M153-S213 PolarHBondContact SD-N 2.88Å; M153-S213 VanDerWaalsContact SD-N 3.44Å; N156-S213 PolarHBondContact ND2-OG 3.11Å; A209-S213 PolarHBondContact O-N 2.74Å; Y210-S213 PolarHBondContact O-N 3.42Å; Y210-S213 VanDerWaalsContact O-N 3.09Å; Y210-S213 PolarHBondContact O-OG 3.15Å; S213-A216 WeakPolarHBondContact O-CB 3.32Å; S213-A216 PolarHBondContact O-N 3.13Å; S213-N217 PolarHBondContact O-N 3.37Å; S213-N217 PolarHBondContact O-OD1 3.29Å
214K97.4Very high97Very high6 Ų621.1 Ų21.13%0.02610%0.098CC..Hα-helixtrans-78.4-31.5177.7-59.7-56179.2-172.60112.4V182 S183 H187 Y210 S211 L212 N217 A218V182-K214 PolarHBondContact O-NZ 3.41Å; S183-K214 PolarHBondContact OG-O 2.86Å; H187-K214 VanDerWaalsContact CB-C 3.41Å; H187-K214 HydrophobicContact CB-CB 4Å; H187-K214 WeakPolarHBondContact CB-O 3.16Å; Y210-K214 HydrophobicContact CD1-CG 4.28Å; Y210-K214 HydrophobicContact CE1-CG 3.87Å; Y210-K214 HydrophobicContact CE2-CD 4.48Å; Y210-K214 HydrophobicContact CE2-CG 4.32Å; Y210-K214 VanDerWaalsContact CZ-CE 3.45Å; Y210-K214 WeakPolarHBondContact O-CG 3.4Å; Y210-K214 PolarHBondContact O-N 2.96Å; Y210-K214 VanDerWaalsContact OH-CE 3.25Å; Y210-K214 WeakPolarHBondContact OH-CE 3.41Å; S211-K214 PolarHBondContact O-N 3.08Å; L212-K214 PolarHBondContact O-N 3.06Å; K214-N217 WeakPolarHBondContact CD-OD1 3.25Å; K214-N217 PolarHBondContact NZ-OD1 3.25Å; K214-A218 PolarHBondContact O-N 2.89Å
215L97.8Very high97.1Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-61.6-46.2166.1175.661.1000111.2H187 I192 S211 L212 N217 A218 M219 S301 A304H187-L215 HydrophobicContact CB-CB 4.42Å; I192-L215 HydrophobicContact CG1-CD2 4.14Å; S211-L215 WeakPolarHBondContact O-CB 3.42Å; S211-L215 PolarHBondContact O-N 3.27Å; L212-L215 WeakPolarHBondContact O-CB 3.38Å; L212-L215 PolarHBondContact O-N 3.25Å; L215-N217 VanDerWaalsContact C-N 3.32Å; L215-N217 PolarHBondContact O-N 3.42Å; L215-A218 PolarHBondContact O-N 3.41Å; L215-A218 VanDerWaalsContact O-N 3.08Å; L215-M219 HydrophobicContact CD1-CG 4.12Å; L215-M219 HydrophobicContact CD1-SD 3.99Å; L215-M219 HydrophobicContact CD2-SD 4.28Å; L215-M219 HydrophobicContact CG-CG 4.38Å; L215-M219 HydrophobicContact CG-SD 3.8Å; L215-M219 PolarHBondContact O-N 2.94Å; L215-S301 WeakPolarHBondContact CD1-OG 3.4Å; L215-A304 HydrophobicContact CD1-CB 4Å
216A98.1Very high97.1Very high0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-57.4-43.9176.900000111.8M153 Y157 L212 S213 A218 M219 H220 F313M153-A216 HydrophobicContact CE-CB 4.08Å; Y157-A216 HydrophobicContact CD1-CB 3.86Å; Y157-A216 HydrophobicContact CD2-CB 3.64Å; Y157-A216 HydrophobicContact CE1-CB 4.32Å; Y157-A216 HydrophobicContact CE2-CB 4.15Å; Y157-A216 HydrophobicContact CG-CB 3.48Å; Y157-A216 VanDerWaalsContact CG-CB 3.48Å; L212-A216 WeakPolarHBondContact O-CB 3.43Å; L212-A216 PolarHBondContact O-N 3.29Å; S213-A216 WeakPolarHBondContact O-CB 3.32Å; S213-A216 PolarHBondContact O-N 3.13Å; A216-A218 VanDerWaalsContact C-N 3.32Å; A216-A218 PolarHBondContact O-N 3.37Å; A216-M219 PolarHBondContact O-N 2.88Å; A216-H220 WeakPolarHBondContact O-CB 3.27Å; A216-H220 PolarHBondContact O-N 3.35Å; A216-F313 HydrophobicContact CB-CE1 3.44Å; A216-F313 VanDerWaalsContact CB-CE1 3.44Å; A216-F313 HydrophobicContact CB-CZ 3.46Å; A216-F313 VanDerWaalsContact CB-CZ 3.46Å
217N98.1Very high97.2Very high4 Ų422 Ų222%0.02110%0.102CC..Hα-helixtrans-57.8-41.8174.2-64.9151000113.2N156 N181 S213 K214 L215 I221N156-N217 PolarHBondContact O-ND2 3.27Å; N181-N217 HydrophobicContact CB-CB 4.27Å; S213-N217 PolarHBondContact O-N 3.37Å; S213-N217 PolarHBondContact O-OD1 3.29Å; K214-N217 WeakPolarHBondContact CD-OD1 3.25Å; K214-N217 PolarHBondContact NZ-OD1 3.25Å; L215-N217 VanDerWaalsContact C-N 3.32Å; L215-N217 PolarHBondContact O-N 3.42Å; N217-I221 WeakPolarHBondContact O-CG1 3.45Å; N217-I221 PolarHBondContact O-N 3.11Å
218A97.8Very high97.4Very high0 Ų017.9 Ų17.90%08%0.082CC..Hα-helixtrans-71.1-43.8179.700000111.7K214 L215 A216 I221 I222 A304K214-A218 PolarHBondContact O-N 2.89Å; L215-A218 PolarHBondContact O-N 3.41Å; L215-A218 VanDerWaalsContact O-N 3.08Å; A216-A218 VanDerWaalsContact C-N 3.32Å; A216-A218 PolarHBondContact O-N 3.37Å; A218-I221 PolarHBondContact O-N 2.88Å; A218-I222 WeakPolarHBondContact O-CD1 3.45Å; A218-I222 VanDerWaalsContact O-CG1 3.32Å; A218-I222 WeakPolarHBondContact O-CG1 3.46Å; A218-I222 PolarHBondContact O-N 3.17Å; A218-A304 HydrophobicContact CB-CB 4.24Å
219M97.8Very high97.3Very high2 Ų219.6 Ų19.61%0.019%0.089CC..Hα-helixtrans-60.1-46.2175.3-76177.873.500111.9I192 L215 A216 I221 I222 E223 A304 D309 R310 F313I192-M219 HydrophobicContact CD1-CE 3.75Å; I192-M219 HydrophobicContact CD1-SD 3.86Å; L215-M219 HydrophobicContact CD1-CG 4.12Å; L215-M219 HydrophobicContact CD1-SD 3.99Å; L215-M219 HydrophobicContact CD2-SD 4.28Å; L215-M219 HydrophobicContact CG-CG 4.38Å; L215-M219 HydrophobicContact CG-SD 3.8Å; L215-M219 PolarHBondContact O-N 2.94Å; A216-M219 PolarHBondContact O-N 2.88Å; M219-I221 PolarHBondContact O-N 2.88Å; M219-I222 PolarHBondContact O-N 3.49Å; M219-E223 PolarHBondContact O-N 3.44Å; M219-A304 HydrophobicContact CG-CB 3.88Å; M219-D309 HydrophobicContact CE-CB 3.81Å; M219-D309 VanDerWaalsContact CE-O 3.23Å; M219-D309 WeakPolarHBondContact CE-O 3.46Å; M219-R310 HydrophobicContact CB-CG 4.15Å; M219-R310 HydrophobicContact CE-CB 4.39Å; M219-R310 HydrophobicContact CE-CG 4.02Å; M219-R310 HydrophobicContact CG-CG 4.13Å; M219-R310 WeakPolarHBondContact O-CD 3.44Å; M219-F313 HydrophobicContact CE-CB 3.78Å; M219-F313 HydrophobicContact CE-CD2 4.22Å; M219-F313 HydrophobicContact CE-CG 4.12Å; M219-F313 HydrophobicContact SD-CD2 4.42Å
220H97.8Very high97.2Very high4 Ų426.8 Ų26.82%0.01913%0.128CC..Hα-helixtrans-56.8-49.6178.3176.7-153.2000111.5Y157 F161 N181 A216 I222 E223 L224 W314Y157-H220 HydrophobicContact CE2-CB 3.79Å; F161-H220 AromaticContact CD2-CD2 3.53Å; F161-H220 AromaticContact CD2-CE1 3.72Å; F161-H220 AromaticContact CD2-CG 3.89Å; F161-H220 AromaticContact CD2-ND1 3.98Å; F161-H220 AromaticContact CD2-NE2 3.45Å; F161-H220 WeakPolarHBondContact CD2-NE2 3.27Å; F161-H220 AromaticContact CE2-CD2 3.71Å; F161-H220 AromaticContact CE2-NE2 3.78Å; N181-H220 PolarHBondContact ND2-ND1 2.92Å; A216-H220 WeakPolarHBondContact O-CB 3.27Å; A216-H220 PolarHBondContact O-N 3.35Å; H220-I222 PolarHBondContact O-N 3.47Å; H220-E223 PolarHBondContact O-N 2.94Å; H220-L224 WeakPolarHBondContact O-CB 3.42Å; H220-L224 PolarHBondContact O-N 3.48Å; H220-W314 AromaticContact CD2-CZ3 3.53Å; H220-W314 AromaticContact NE2-CZ3 3.85Å
221I98.2Very high97.2Very high0 Ų027.6 Ų27.60%014%0.136CC..Hα-helixtrans-63.4-41.6-178.4-76.9-60.5000112.7I179 N181 N217 A218 M219 L224 S225 A235 V236I179-I221 HydrophobicContact CG2-CD1 4.31Å; N181-I221 HydrophobicContact CB-CD1 4.05Å; N181-I221 HydrophobicContact CB-CG1 3.79Å; N181-I221 WeakPolarHBondContact ND2-CD1 3.3Å; N181-I221 WeakPolarHBondContact ND2-CG1 3.27Å; N217-I221 WeakPolarHBondContact O-CG1 3.45Å; N217-I221 PolarHBondContact O-N 3.11Å; A218-I221 PolarHBondContact O-N 2.88Å; M219-I221 PolarHBondContact O-N 2.88Å; I221-L224 HydrophobicContact CD1-CD2 4.47Å; I221-S225 VanDerWaalsContact O-CB 3.28Å; I221-S225 WeakPolarHBondContact O-CB 3.41Å; I221-S225 PolarHBondContact O-N 3.45Å; I221-A235 HydrophobicContact CD1-CB 3.94Å; I221-V236 WeakPolarHBondContact CD1-O 3.43Å; I221-V236 WeakPolarHBondContact CG1-O 3.42Å; I221-V236 VanDerWaalsContact CG2-C 3.41Å
222I98.1Very high97.2Very high21 Ų2129.1 Ų29.111%0.10815%0.153CC..Hα-helixtrans-64-47.9179.8-62.4163000109.2A218 M219 H220 S225 E226 G289 P300 A304 R310A218-I222 WeakPolarHBondContact O-CD1 3.45Å; A218-I222 VanDerWaalsContact O-CG1 3.32Å; A218-I222 WeakPolarHBondContact O-CG1 3.46Å; A218-I222 PolarHBondContact O-N 3.17Å; M219-I222 PolarHBondContact O-N 3.49Å; H220-I222 PolarHBondContact O-N 3.47Å; I222-S225 WeakPolarHBondContact O-CB 3.17Å; I222-S225 PolarHBondContact O-N 3.1Å; I222-E226 PolarHBondContact O-N 3.49Å; I222-G289 WeakPolarHBondContact CG1-O 3.35Å; I222-P300 HydrophobicContact CD1-CB 4.43Å; I222-P300 HydrophobicContact CD1-CG 3.9Å; I222-A304 HydrophobicContact CD1-CB 3.98Å; I222-A304 WeakPolarHBondContact CD1-O 3.18Å; I222-R310 VanDerWaalsContact CG2-NE 3.34Å
223E97.8Very high97.2Very high7 Ų729.5 Ų29.53%0.03316%0.155CC..Hα-helixtrans-66.3-42.6178.8-175.464.3-165.900112.7M219 H220 S225 E226 R227 R310 W314M219-E223 PolarHBondContact O-N 3.44Å; H220-E223 PolarHBondContact O-N 2.94Å; E223-S225 PolarHBondContact O-N 2.72Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 2.92Å; E223-E226 VanDerWaalsContact O-N 3.16Å; E223-R227 WeakPolarHBondContact O-CG 3.21Å; E223-R227 PolarHBondContact O-N 3.27Å; E223-R227 VanDerWaalsContact O-N 3.16Å; E223-R227 IonicContact OE1-CZ 3.56Å; E223-R227 IonicContact OE1-NE 2.84Å; E223-R227 PolarHBondContact OE1-NE 2.97Å; E223-R227 IonicContact OE1-NH2 3.46Å; E223-R227 PolarHBondContact OE1-NH2 3.31Å; E223-R310 HydrophobicContact CB-CB 4.31Å; E223-R310 IonicContact OE2-NE 2.83Å; E223-W314 HydrophobicContact CB-CE3 3.92Å; E223-W314 HydrophobicContact CB-CZ3 4.49Å; E223-W314 HydrophobicContact CG-CB 4.01Å; E223-W314 HydrophobicContact CG-CD2 3.86Å; E223-W314 HydrophobicContact CG-CE3 3.47Å; E223-W314 VanDerWaalsContact CG-CE3 3.47Å; E223-W314 HydrophobicContact CG-CG 4.09Å; E223-W314 HydrophobicContact CG-CZ3 4.26Å
224L97.6Very high97.2Very high0 Ų031.3 Ų31.30%017%0.166CC..Hα-helixtrans-59-39.9175.6-177.663.2000110.6T164 I179 H220 I221 E226 R227 L228 A235 W314T164-L224 HydrophobicContact CG2-CD2 3.76Å; I179-L224 HydrophobicContact CD1-CD2 3.81Å; I179-L224 HydrophobicContact CG2-CD2 4.28Å; H220-L224 WeakPolarHBondContact O-CB 3.42Å; H220-L224 PolarHBondContact O-N 3.48Å; I221-L224 HydrophobicContact CD1-CD2 4.47Å; L224-E226 VanDerWaalsContact C-N 3.32Å; L224-E226 PolarHBondContact O-N 2.92Å; L224-R227 PolarHBondContact O-N 2.02Å; L224-L228 HydrophobicContact CD1-CD1 3.75Å; L224-L228 HydrophobicContact CD1-CG 3.9Å; L224-L228 HydrophobicContact CD2-CD1 4.15Å; L224-L228 HydrophobicContact CG-CD1 3.62Å; L224-L228 HydrophobicContact CG-CG 4.1Å; L224-L228 WeakPolarHBondContact O-CB 3.25Å; L224-L228 VanDerWaalsContact O-CG 3.29Å; L224-L228 WeakPolarHBondContact O-CG 3.38Å; L224-L228 PolarHBondContact O-N 3.01Å; L224-A235 HydrophobicContact CB-CB 4.48Å; L224-A235 HydrophobicContact CD2-CB 3.89Å; L224-A235 HydrophobicContact CG-CB 4.14Å; L224-W314 HydrophobicContact CB-CH2 4.37Å; L224-W314 HydrophobicContact CB-CZ3 3.88Å; L224-W314 HydrophobicContact CD1-CH2 3.69Å; L224-W314 HydrophobicContact CD1-CZ3 4.07Å
225S97.4Very high97.3Very high15 Ų1531 Ų3111%0.10517%0.165CC..Hα-helixtrans-64.6-35.5177.8-173.40000113I221 I222 E223 R227 K229 P288 G289I221-S225 VanDerWaalsContact O-CB 3.28Å; I221-S225 WeakPolarHBondContact O-CB 3.41Å; I221-S225 PolarHBondContact O-N 3.45Å; I222-S225 WeakPolarHBondContact O-CB 3.17Å; I222-S225 PolarHBondContact O-N 3.1Å; E223-S225 PolarHBondContact O-N 2.72Å; S225-R227 VanDerWaalsContact C-N 3.31Å; S225-K229 PolarHBondContact O-N 2.88Å; S225-P288 WeakPolarHBondContact OG-CA 3.37Å; S225-P288 WeakPolarHBondContact OG-CB 3.43Å; S225-G289 VanDerWaalsContact CB-N 3.3Å; S225-G289 PolarHBondContact OG-N 3.37Å
226E96.9Very high97.3Very high121 Ų12131 Ų3157%0.56517%0.165SC*.Hα-helixtrans-66.1-38174.2-63.1-62.4156.100110.9I222 E223 L224 K229I222-E226 PolarHBondContact O-N 3.49Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 2.92Å; E223-E226 VanDerWaalsContact O-N 3.16Å; L224-E226 VanDerWaalsContact C-N 3.32Å; L224-E226 PolarHBondContact O-N 2.92Å; E226-K229 WeakPolarHBondContact O-CB 3.04Å
227R96.4Very high97.4Very high53 Ų5331.1 Ų31.120%0.217%0.166CC..Hα-helixtrans-75.6-29.8179.8-66.9169.4-177.4-95.6-1.2113.4E223 L224 S225 K229 W314 C325 N327E223-R227 WeakPolarHBondContact O-CG 3.21Å; E223-R227 PolarHBondContact O-N 3.27Å; E223-R227 VanDerWaalsContact O-N 3.16Å; E223-R227 IonicContact OE1-CZ 3.56Å; E223-R227 IonicContact OE1-NE 2.84Å; E223-R227 PolarHBondContact OE1-NE 2.97Å; E223-R227 IonicContact OE1-NH2 3.46Å; E223-R227 PolarHBondContact OE1-NH2 3.31Å; L224-R227 PolarHBondContact O-N 2.02Å; S225-R227 VanDerWaalsContact C-N 3.31Å; R227-K229 VanDerWaalsContact C-N 3.28Å; R227-K229 PolarHBondContact O-N 2.82Å; R227-W314 VanDerWaalsContact CD-CZ2 3.42Å; R227-W314 VanDerWaalsContact CZ-NE1 3.28Å; R227-C325 PolarHBondContact NH1-O 2.99Å; R227-C325 VanDerWaalsContact NH1-O 3.07Å; R227-N327 HydrophobicContact CB-CB 4.47Å
228L96.5Very high97.4Very high4 Ų430.9 Ų30.92%0.02117%0.165CC..THydrogen-bonded Turntrans-90.413.8178-65.1179.9000113.4L168 I179 L224 D230 C231 V233L168-L228 HydrophobicContact CD1-CD2 4.33Å; L168-L228 HydrophobicContact CD2-CD1 4.02Å; L168-L228 HydrophobicContact CD2-CD2 3.88Å; I179-L228 HydrophobicContact CD1-CD1 3.78Å; L224-L228 HydrophobicContact CD1-CD1 3.75Å; L224-L228 HydrophobicContact CD1-CG 3.9Å; L224-L228 HydrophobicContact CD2-CD1 4.15Å; L224-L228 HydrophobicContact CG-CD1 3.62Å; L224-L228 HydrophobicContact CG-CG 4.1Å; L224-L228 WeakPolarHBondContact O-CB 3.25Å; L224-L228 VanDerWaalsContact O-CG 3.29Å; L224-L228 WeakPolarHBondContact O-CG 3.38Å; L224-L228 PolarHBondContact O-N 3.01Å; L228-D230 PolarHBondContact O-N 3.5Å; L228-C231 WeakPolarHBondContact O-CB 2.96Å; L228-C231 PolarHBondContact O-N 3.18Å; L228-C231 VanDerWaalsContact O-N 3.13Å; L228-V233 HydrophobicContact CD1-CB 4.03Å; L228-V233 HydrophobicContact CD1-CG1 3.82Å
229K95.2Very high97.2Very high145 Ų14532 Ų3263%0.6317%0.17SC*.THydrogen-bonded Turntrans-53.9137.3175.3-161.2-178.3176.1-176.90109.6S225 E226 R227 C231S225-K229 PolarHBondContact O-N 2.88Å; E226-K229 WeakPolarHBondContact O-CB 3.04Å; R227-K229 VanDerWaalsContact C-N 3.28Å; R227-K229 PolarHBondContact O-N 2.82Å; K229-C231 PolarHBondContact O-N 3.42Å
230D94.6Very high97Very high152 Ų15232.3 Ų32.381%0.81317%0.172SC*.THydrogen-bonded Turntrans62.54.9179.1-47.7-43.6000115.9L228 G232L228-D230 PolarHBondContact O-N 3.5Å; D230-G232 VanDerWaalsContact C-N 3.35Å
231C95.9Very high96.5Very high38 Ų3832.6 Ų32.626%0.25718%0.176SC..THydrogen-bonded Turntrans-84.7-5.8176-66.30000113.8K172 L228 K229 V233K172-C231 HydrophobicContact CG-CB 4.36Å; L228-C231 WeakPolarHBondContact O-CB 2.96Å; L228-C231 PolarHBondContact O-N 3.18Å; L228-C231 VanDerWaalsContact O-N 3.13Å; K229-C231 PolarHBondContact O-N 3.42Å; C231-V233 HydrophobicContact CB-CG2 4.32Å; C231-V233 PolarHBondContact O-N 3.18Å
232G96.3Very high95.4Very high40 Ų4035.3 Ų35.341%0.41220%0.199SC..THydrogen-bonded Turntrans67.213-173.500000114.7P176 S177 D230P176-G232 WeakPolarHBondContact CA-O 3.22Å; S177-G232 PolarHBondContact N-O 3.37Å; D230-G232 VanDerWaalsContact C-N 3.35Å
233V98.1Very high93.9Very high7 Ų735.2 Ų35.24%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-104.8120176.4-174.70000109L171 K172 S177 I179 L228 C231L171-V233 HydrophobicContact CB-CG1 4.39Å; L171-V233 HydrophobicContact CB-CG2 4.48Å; K172-V233 HydrophobicContact CB-CG2 4.5Å; K172-V233 HydrophobicContact CG-CG2 3.97Å; S177-V233 WeakPolarHBondContact OG-CG2 3.43Å; I179-V233 HydrophobicContact CD1-CG1 3.68Å; I179-V233 HydrophobicContact CG1-CG1 3.98Å; L228-V233 HydrophobicContact CD1-CB 4.03Å; L228-V233 HydrophobicContact CD1-CG1 3.82Å; C231-V233 HydrophobicContact CB-CG2 4.32Å; C231-V233 PolarHBondContact O-N 3.18Å
234V98.4Very high91.8Very high38 Ų3837.6 Ų37.623%0.2322%0.216CC..EExtended strand (participates in β ladder)trans-100.9115.7-179.2-1770000110.2S177 R178 I179 V236 L286 P288S177-V234 PolarHBondContact O-N 2.98Å; R178-V234 VanDerWaalsContact CA-O 3.31Å; R178-V234 WeakPolarHBondContact CA-O 3.27Å; I179-V234 PolarHBondContact N-O 3.05Å; V234-V236 HydrophobicContact CG1-CG1 4.27Å; V234-L286 HydrophobicContact CG1-CB 3.89Å; V234-P288 HydrophobicContact CG1-CB 4.49Å; V234-P288 HydrophobicContact CG1-CG 4.31Å
235A98.5Very high89.9Confident0 Ų039.5 Ų39.50%023%0.228CC..EExtended strand (participates in β ladder)trans-98.7128.6176.900000111I179 I221 L224 G289I179-A235 HydrophobicContact CB-CB 4.27Å; I179-A235 CarbonylContact O-C 3.58Å; I179-A235 WeakPolarHBondContact O-CA 3.04Å; I221-A235 HydrophobicContact CD1-CB 3.94Å; L224-A235 HydrophobicContact CB-CB 4.48Å; L224-A235 HydrophobicContact CD2-CB 3.89Å; L224-A235 HydrophobicContact CG-CB 4.14Å; A235-G289 PolarHBondContact O-N 2.92Å
236V98.7Very high88Confident1 Ų143.7 Ų43.71%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-139.9160.2175.4-64.70000112.7I179 I180 N181 I221 V234 T280 L286 T287 G290 Y292I179-V236 PolarHBondContact O-N 3.35Å; I180-V236 WeakPolarHBondContact CA-O 3.49Å; I180-V236 HydrophobicContact CG1-CG2 4.09Å; N181-V236 PolarHBondContact N-O 3.47Å; I221-V236 WeakPolarHBondContact CD1-O 3.43Å; I221-V236 WeakPolarHBondContact CG1-O 3.42Å; I221-V236 VanDerWaalsContact CG2-C 3.41Å; V234-V236 HydrophobicContact CG1-CG1 4.27Å; V236-T280 HydrophobicContact CG2-CG2 4.04Å; V236-L286 HydrophobicContact CB-CD2 4.02Å; V236-L286 HydrophobicContact CG1-CD2 3.43Å; V236-L286 VanDerWaalsContact CG1-CD2 3.43Å; V236-L286 HydrophobicContact CG2-CD2 3.58Å; V236-T287 WeakPolarHBondContact CG1-O 3.47Å; V236-G290 WeakPolarHBondContact CB-O 3.46Å; V236-Y292 HydrophobicContact CB-CD2 4.33Å; V236-Y292 HydrophobicContact CB-CE2 4.36Å; V236-Y292 HydrophobicContact CG1-CD2 4.45Å; V236-Y292 HydrophobicContact CG1-CE2 3.99Å
237S98.6Very high86.5Confident1 Ų140 Ų401%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-121.8158.6173.5560000109.7N181 G290 Y291 Y292N181-S237 CarbonylContact O-C 3.29Å; N181-S237 VanDerWaalsContact O-CA 3.25Å; N181-S237 WeakPolarHBondContact O-CA 3.27Å; S237-G290 PolarHBondContact N-O 3.14Å; S237-Y291 CarbonylContact O-C 3.51Å; S237-Y291 WeakPolarHBondContact O-CA 3.49Å; S237-Y291 WeakPolarHBondContact OG-CD2 3.09Å; S237-Y292 PolarHBondContact O-N 3.43Å
238L98.2Very high85.1Confident0 Ų040.9 Ų40.90%024%0.237CC..EExtended strand (participates in β ladder)trans-148.1161.4178.665.889.8000114.4I180 N181 V182 S183 P240 T276 T277 T280 Y292I180-L238 HydrophobicContact CG2-CD2 3.5Å; I180-L238 HydrophobicContact CG2-CG 4.44Å; N181-L238 PolarHBondContact O-N 2.93Å; V182-L238 HydrophobicContact CG1-CD1 4.23Å; V182-L238 HydrophobicContact CG2-CD1 4.33Å; S183-L238 CarbonylContact C-O 3.58Å; S183-L238 WeakPolarHBondContact CA-O 3.47Å; S183-L238 WeakPolarHBondContact CB-O 3.45Å; S183-L238 PolarHBondContact N-O 3.02Å; L238-P240 HydrophobicContact CD1-CB 4.2Å; L238-T276 HydrophobicContact CB-CG2 3.81Å; L238-T276 HydrophobicContact CD1-CG2 4.28Å; L238-T276 HydrophobicContact CD2-CG2 4.34Å; L238-T276 HydrophobicContact CG-CG2 4.38Å; L238-T277 VanDerWaalsContact CD2-CA 3.41Å; L238-T277 HydrophobicContact CD2-CG2 4.3Å; L238-T280 HydrophobicContact CD2-CG2 4.18Å; L238-T280 WeakPolarHBondContact CD2-OG1 3.43Å; L238-Y292 CarbonylContact C-O 3.28Å; L238-Y292 WeakPolarHBondContact CA-O 3.35Å; L238-Y292 WeakPolarHBondContact CB-O 3.46Å
239H95.3Very high83.8Confident22 Ų2247.8 Ų47.810%0.10226%0.263CS..EExtended strand (participates in β ladder)trans-106.4123.8162.3167.755.1000110.5S185 G241 Y291 Y292 S293S185-H239 PolarHBondContact N-ND1 2.67Å; H239-G241 WeakPolarHBondContact CE1-CA 3.27Å; H239-G241 PolarHBondContact CE1-N 3.35Å; H239-G241 VanDerWaalsContact CE1-N 3.29Å; H239-G241 PolarHBondContact CE1-O 2.81Å; H239-G241 PolarHBondContact ND1-N 3.13Å; H239-G241 WeakPolarHBondContact NE2-CA 3.45Å; H239-G241 PolarHBondContact NE2-N 3.32Å; H239-G241 PolarHBondContact O-N 3.23Å; H239-Y291 VanDerWaalsContact CB-OH 3.28Å; H239-Y291 WeakPolarHBondContact CB-OH 3.19Å; H239-Y292 PolarHBondContact N-O 3.06Å; H239-S293 PolarHBondContact CD2-OG 3.11Å
240P92.6Very high82.4Confident10 Ų1044.3 Ų44.37%0.06525%0.251CS..  trans-79.31.4-177.233.1-37.1000113.7R13 I36 V182 S183 L238 G273R13-P240 PolarHBondContact NH2-O 3.43Å; I36-P240 HydrophobicContact CD1-CB 3.54Å; I36-P240 HydrophobicContact CD1-CG 3.59Å; I36-P240 HydrophobicContact CG1-CB 4.4Å; V182-P240 HydrophobicContact CG1-CB 4.43Å; V182-P240 HydrophobicContact CG1-CG 3.84Å; S183-P240 WeakPolarHBondContact O-CD 3.42Å; L238-P240 HydrophobicContact CD1-CB 4.2Å; P240-G273 WeakPolarHBondContact CB-O 3.45Å; P240-G273 WeakPolarHBondContact O-CA 3.2Å
241G86.5Confident81Confident9 Ų937.9 Ų37.99%0.09322%0.217CC..  trans90169.5-168.800000112.8H239 T243H239-G241 WeakPolarHBondContact CE1-CA 3.27Å; H239-G241 PolarHBondContact CE1-N 3.35Å; H239-G241 VanDerWaalsContact CE1-N 3.29Å; H239-G241 PolarHBondContact CE1-O 2.81Å; H239-G241 PolarHBondContact ND1-N 3.13Å; H239-G241 WeakPolarHBondContact NE2-CA 3.45Å; H239-G241 PolarHBondContact NE2-N 3.32Å; H239-G241 PolarHBondContact O-N 3.23Å; G241-T243 PolarHBondContact O-N 3.3Å; G241-T243 VanDerWaalsContact O-N 3.14Å
242A76.1Confident79.3Confident58 Ų5842.2 Ų42.248%0.47924%0.242SC..SBendtrans-80.288.3175.100000109.9L267 T268A242-L267 HydrophobicContact CB-CD2 4.01Å; A242-L267 WeakPolarHBondContact O-CA 3.36Å; A242-L267 WeakPolarHBondContact O-CD2 3.43Å; A242-T268 WeakPolarHBondContact O-CG2 3.28Å; A242-T268 PolarHBondContact O-N 3.39Å
243T66.3Low77.5Confident18 Ų1844.4 Ų44.411%0.1125%0.251CS..BIsolated β-bridgetrans-90.2136.7-178.347.20000111.9I36 G241 T245 T268I36-T243 HydrophobicContact CD1-CG2 3.95Å; I36-T243 HydrophobicContact CG1-CG2 3.98Å; G241-T243 PolarHBondContact O-N 3.3Å; G241-T243 VanDerWaalsContact O-N 3.14Å; T243-T245 PolarHBondContact O-N 2.97Å; T243-T245 PolarHBondContact O-OG1 2.88Å; T243-T245 WeakPolarHBondContact OG1-CG2 3.39Å; T243-T268 WeakPolarHBondContact CA-O 3.13Å; T243-T268 HydrophobicContact CG2-CG2 3.31Å
244S54.6Low75.4Confident58 Ų5848.7 Ų48.741%0.40627%0.269SS..  trans-59.397.2162.1-74.90000108.6L267 T268S244-L267 WeakPolarHBondContact OG-CB 3.4Å; S244-L267 WeakPolarHBondContact OG-CD1 3.12Å; S244-T268 PolarHBondContact N-O 2.93Å
245T56.6Low73.2Confident40 Ų4050.4 Ų50.425%0.24528%0.281CS..  trans-129150.8-177.6480000111T243 L247 M248T243-T245 PolarHBondContact O-N 2.97Å; T243-T245 PolarHBondContact O-OG1 2.88Å; T243-T245 WeakPolarHBondContact OG1-CG2 3.39Å; T245-L247 PolarHBondContact O-N 3.07Å; T245-L247 VanDerWaalsContact OG1-CB 3.3Å; T245-L247 WeakPolarHBondContact OG1-CB 3.35Å; T245-M248 PolarHBondContact O-N 3.2Å
246E58.8Low71Confident102 Ų10253.8 Ų53.848%0.47730%0.298SS..G310 helixtrans-50.8-13.6164.9-65.6-65.4130.600113.3M248 R249E246-M248 PolarHBondContact O-N 3.11Å; E246-R249 WeakPolarHBondContact O-CB 3.38Å; E246-R249 PolarHBondContact O-N 2.96Å; E246-R249 VanDerWaalsContact OE2-CD 3.28Å; E246-R249 WeakPolarHBondContact OE2-CD 3.39Å; E246-R249 IonicContact OE2-CZ 3.47Å; E246-R249 IonicContact OE2-NE 3.22Å; E246-R249 IonicContact OE2-NH1 2.84Å; E246-R249 PolarHBondContact OE2-NH1 3.05Å
247L65.2Low68.6Low45 Ų4559.8 Ų59.824%0.23633%0.33CS..G310 helixtrans-52.4-41.3176.7-175.964000112L137 I138 Y210 T245 R249L137-L247 VanDerWaalsContact C-CD1 3.47Å; L137-L247 VanDerWaalsContact CA-CD1 3.4Å; I138-L247 HydrophobicContact CG2-CD1 4.14Å; I138-L247 HydrophobicContact CG2-CG 4.05Å; I138-L247 WeakPolarHBondContact CG2-O 3.11Å; Y210-L247 HydrophobicContact CE2-CD1 4.31Å; Y210-L247 HydrophobicContact CE2-CD2 4.02Å; Y210-L247 VanDerWaalsContact OH-CD2 3.27Å; Y210-L247 WeakPolarHBondContact OH-CD2 3.03Å; T245-L247 PolarHBondContact O-N 3.07Å; T245-L247 VanDerWaalsContact OG1-CB 3.3Å; T245-L247 WeakPolarHBondContact OG1-CB 3.35Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.02Å
248M66.4Low66.5Low70 Ų7065.5 Ų65.535%0.34537%0.365SS..G310 helixtrans-85.20-179.4-64.7-17674.500113.7T245 E246 N250 L251 F254T245-M248 PolarHBondContact O-N 3.2Å; E246-M248 PolarHBondContact O-N 3.11Å; M248-N250 PolarHBondContact O-N 3.46Å; M248-L251 HydrophobicContact CB-CD1 4.32Å; M248-L251 HydrophobicContact CE-CD1 4.05Å; M248-L251 HydrophobicContact CG-CD1 4.19Å; M248-L251 PolarHBondContact O-N 3.16Å; M248-F254 HydrophobicContact CE-CD1 3.82Å; M248-F254 HydrophobicContact CE-CD2 4.29Å; M248-F254 HydrophobicContact CE-CE1 4.04Å; M248-F254 HydrophobicContact CE-CE2 4.49Å; M248-F254 HydrophobicContact CE-CG 3.96Å; M248-F254 HydrophobicContact CE-CZ 4.37Å
249R69.1Low64.1Low149 Ų14969.1 Ų69.156%0.56238%0.384SS*.G310 helixtrans-57.8-28-175.5-175.7176.764.5-162.15.9113.1E246 L247E246-R249 WeakPolarHBondContact O-CB 3.38Å; E246-R249 PolarHBondContact O-N 2.96Å; E246-R249 VanDerWaalsContact OE2-CD 3.28Å; E246-R249 WeakPolarHBondContact OE2-CD 3.39Å; E246-R249 IonicContact OE2-CZ 3.47Å; E246-R249 IonicContact OE2-NE 3.22Å; E246-R249 IonicContact OE2-NH1 2.84Å; E246-R249 PolarHBondContact OE2-NH1 3.05Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.02Å
250N66.3Low61.9Low72 Ų7273.2 Ų73.239%0.38540%0.401SS..G310 helixtrans-90.81.6-178.7-63.7-28.6000114L139 Q140 M248 T252L139-N250 HydrophobicContact CD2-CB 4.28Å; L139-N250 WeakPolarHBondContact CD2-ND2 3.44Å; Q140-N250 WeakPolarHBondContact CB-O 3.47Å; M248-N250 PolarHBondContact O-N 3.46Å; N250-T252 PolarHBondContact O-N 2.58Å
251L64.7Low59.6Low17 Ų1777.5 Ų77.59%0.08943%0.429CS..  trans-96.183.4178.5-62.7175.2000110.5I138 Q140 A206 M207 M248 S253 F254I138-L251 HydrophobicContact CD1-CD1 4.15Å; I138-L251 HydrophobicContact CD1-CD2 4.14Å; I138-L251 HydrophobicContact CG1-CD2 4.25Å; I138-L251 HydrophobicContact CG2-CD1 4.19Å; I138-L251 HydrophobicContact CG2-CG 4.3Å; Q140-L251 HydrophobicContact CB-CD2 4.37Å; A206-L251 HydrophobicContact CB-CD2 3.98Å; M207-L251 HydrophobicContact SD-CD1 4.48Å; M248-L251 HydrophobicContact CB-CD1 4.32Å; M248-L251 HydrophobicContact CE-CD1 4.05Å; M248-L251 HydrophobicContact CG-CD1 4.19Å; M248-L251 PolarHBondContact O-N 3.16Å; L251-S253 PolarHBondContact O-N 3.09Å; L251-F254 PolarHBondContact O-N 2.89Å
252T60.7Low57.7Low130 Ų13085.4 Ų85.480%0.79846%0.461SS*.THydrogen-bonded Turntrans-67.1-21.2-177.553.30000114N250 F254N250-T252 PolarHBondContact O-N 2.58Å; T252-F254 VanDerWaalsContact C-N 3.33Å
253S57.5Low56.2Low85 Ų8584.2 Ų84.259%0.59445%0.447SS*.THydrogen-bonded Turntrans-84.5-2.9-178.852.20000114.1Q140 L251Q140-S253 PolarHBondContact NE2-OG 2.88Å; Q140-S253 PolarHBondContact OE1-OG 3.24Å; L251-S253 PolarHBondContact O-N 3.09Å
254F55.1Low55.2Low97 Ų9793.1 Ų93.143%0.42548%0.478SS..SBendtrans-93.5115.2174.1-151.8-98.4000108.8M248 L251 T252 M256M248-F254 HydrophobicContact CE-CD1 3.82Å; M248-F254 HydrophobicContact CE-CD2 4.29Å; M248-F254 HydrophobicContact CE-CE1 4.04Å; M248-F254 HydrophobicContact CE-CE2 4.49Å; M248-F254 HydrophobicContact CE-CG 3.96Å; M248-F254 HydrophobicContact CE-CZ 4.37Å; L251-F254 PolarHBondContact O-N 2.89Å; T252-F254 VanDerWaalsContact C-N 3.33Å; F254-M256 HydrophobicContact CD1-CG 4.14Å; F254-M256 HydrophobicContact CD1-SD 4.22Å; F254-M256 PolarHBondContact O-N 3.33Å
255P51.5Low54.8Low75 Ų7595.4 Ų95.449%0.48749%0.494SS..  trans-75.171.5-175.431-33.6000110.5N257 V258 L259P255-N257 PolarHBondContact O-N 3.29Å; P255-N257 VanDerWaalsContact O-N 3.16Å; P255-V258 HydrophobicContact CB-CG2 4.4Å; P255-V258 PolarHBondContact O-N 3.37Å; P255-L259 HydrophobicContact CG-CD1 4.47Å
256M51.2Low54.7Low70 Ų7098.7 Ų98.735%0.34551%0.514SS..Hα-helixtrans-58.8-27.6-179.9-84-73.6-76.100112.3F254 K260F254-M256 HydrophobicContact CD1-CG 4.14Å; F254-M256 HydrophobicContact CD1-SD 4.22Å; F254-M256 PolarHBondContact O-N 3.33Å; M256-K260 WeakPolarHBondContact O-CB 3.41Å; M256-K260 VanDerWaalsContact O-CG 3.23Å; M256-K260 WeakPolarHBondContact O-CG 3.39Å; M256-K260 PolarHBondContact O-N 2.92Å
257N49.5Very low55Low127 Ų12796 Ų9668%0.67950%0.502SS*.Hα-helixtrans-74.4-27.3-177.2-70.2-17.2000113.5P255 K260P255-N257 PolarHBondContact O-N 3.29Å; P255-N257 VanDerWaalsContact O-N 3.16Å; N257-K260 PolarHBondContact OD1-NZ 3.42Å
258V54.5Low55.3Low121 Ų12194.7 Ų94.773%0.73350%0.496SS*.Hα-helixtrans-83.8-31.7-178.9-175.90000111.5P255P255-V258 HydrophobicContact CB-CG2 4.4Å; P255-V258 PolarHBondContact O-N 3.37Å
259L48.7Very low56.4Low77 Ų7794.5 Ų94.540%0.40350%0.499SS..Hα-helixtrans-99.3-5-175.9-74.4138.8000114.2P255 P261 F262 I263P255-L259 HydrophobicContact CG-CD1 4.47Å; L259-P261 VanDerWaalsContact C-CD 3.47Å; L259-F262 PolarHBondContact O-N 3.01Å; L259-I263 HydrophobicContact CB-CD1 3.22Å; L259-I263 HydrophobicContact CB-CG1 3.73Å; L259-I263 HydrophobicContact CG-CD1 4.3Å; L259-I263 VanDerWaalsContact O-CB 3.25Å; L259-I263 WeakPolarHBondContact O-CB 3.47Å; L259-I263 WeakPolarHBondContact O-CG1 3.15Å; L259-I263 PolarHBondContact O-N 2.7Å
260K47Very low57.4Low107 Ų10789.1 Ų89.147%0.46548%0.484SS..Hα-helixtrans-47-45.2-174.3-115.8170.8-169168.20115.9M256 N257 R264M256-K260 WeakPolarHBondContact O-CB 3.41Å; M256-K260 VanDerWaalsContact O-CG 3.23Å; M256-K260 WeakPolarHBondContact O-CG 3.39Å; M256-K260 PolarHBondContact O-N 2.92Å; N257-K260 PolarHBondContact OD1-NZ 3.42Å; K260-R264 PolarHBondContact O-N 2.88Å
261P46.3Very low58.7Low101 Ų10187 Ų8766%0.65647%0.47SS*.Hα-helixtrans-73.1-37.7-178.820.7-23.4000113L259L259-P261 VanDerWaalsContact C-CD 3.47Å
262F45.9Very low60.1Low174 Ų17490.3 Ų90.376%0.76348%0.484SS*.Hα-helixtrans-73.2-32.8176.1-101.6-91.8000112.7L259L259-F262 PolarHBondContact O-N 3.01Å
263I43.8Very low61.6Low34 Ų3484.1 Ų84.117%0.17445%0.446CS..Hα-helixtrans-71.9-33.4-179.7-75.4178.9000111.7L259 S265 V266 L267L259-I263 HydrophobicContact CB-CD1 3.22Å; L259-I263 HydrophobicContact CB-CG1 3.73Å; L259-I263 HydrophobicContact CG-CD1 4.3Å; L259-I263 VanDerWaalsContact O-CB 3.25Å; L259-I263 WeakPolarHBondContact O-CB 3.47Å; L259-I263 WeakPolarHBondContact O-CG1 3.15Å; L259-I263 PolarHBondContact O-N 2.7Å; I263-S265 VanDerWaalsContact C-N 3.3Å; I263-S265 PolarHBondContact O-N 3.05Å; I263-V266 PolarHBondContact O-N 3.32Å; I263-V266 VanDerWaalsContact O-N 3.14Å; I263-L267 HydrophobicContact CG2-CB 4.49Å; I263-L267 HydrophobicContact CG2-CD1 3.06Å; I263-L267 HydrophobicContact CG2-CD2 4.41Å; I263-L267 HydrophobicContact CG2-CG 3.43Å; I263-L267 VanDerWaalsContact CG2-CG 3.43Å; I263-L267 WeakPolarHBondContact O-CB 3.4Å; I263-L267 WeakPolarHBondContact O-CG 3.36Å; I263-L267 PolarHBondContact O-N 2.8Å
264R44.9Very low63.4Low205 Ų20580.1 Ų80.177%0.77442%0.418SS*.Hα-helixtrans-62.9-29.8-178.2-96.5-174.3169.4172-2.6114K260K260-R264 PolarHBondContact O-N 2.88Å
265S47.7Very low65.4Low106 Ų10675.5 Ų75.574%0.74140%0.397SS*.Hα-helixtrans-78.2-23.3177.2880000112.8I263I263-S265 VanDerWaalsContact C-N 3.3Å; I263-S265 PolarHBondContact O-N 3.05Å
266V53.8Low67.6Low108 Ų10871.9 Ų71.966%0.65537%0.374SS*.Hα-helixtrans-91.6-33.6-179.8-1770000111.8I263I263-V266 PolarHBondContact O-N 3.32Å; I263-V266 VanDerWaalsContact O-N 3.14Å
267L64.5Low69.8Low45 Ų4568.6 Ų68.624%0.23636%0.358CS..SBendtrans-78.8125.9-176.7-69-174.2000112.3A242 S244 I263A242-L267 HydrophobicContact CB-CD2 4.01Å; A242-L267 WeakPolarHBondContact O-CA 3.36Å; A242-L267 WeakPolarHBondContact O-CD2 3.43Å; S244-L267 WeakPolarHBondContact OG-CB 3.4Å; S244-L267 WeakPolarHBondContact OG-CD1 3.12Å; I263-L267 HydrophobicContact CG2-CB 4.49Å; I263-L267 HydrophobicContact CG2-CD1 3.06Å; I263-L267 HydrophobicContact CG2-CD2 4.41Å; I263-L267 HydrophobicContact CG2-CG 3.43Å; I263-L267 VanDerWaalsContact CG2-CG 3.43Å; I263-L267 WeakPolarHBondContact O-CB 3.4Å; I263-L267 WeakPolarHBondContact O-CG 3.36Å; I263-L267 PolarHBondContact O-N 2.8Å
268T73Confident72.1Confident18 Ų1862.5 Ų62.511%0.1133%0.326CS..BIsolated β-bridgetrans-75.6148.3179-171.40000111.1A242 T243 S244 K272A242-T268 WeakPolarHBondContact O-CG2 3.28Å; A242-T268 PolarHBondContact O-N 3.39Å; T243-T268 WeakPolarHBondContact CA-O 3.13Å; T243-T268 HydrophobicContact CG2-CG2 3.31Å; S244-T268 PolarHBondContact N-O 2.93Å; T268-K272 WeakPolarHBondContact OG1-CB 3.42Å
269T87.9Confident74.2Confident67 Ų6757.9 Ų57.941%0.41130%0.295SS..PPolyproline II helixtrans-65.6153173.365.70000110.5W271 K272 G273T269-W271 VanDerWaalsContact C-N 3.27Å; T269-W271 PolarHBondContact O-N 3.01Å; T269-K272 PolarHBondContact O-N 3.35Å; T269-K272 VanDerWaalsContact O-N 3.15Å; T269-K272 WeakPolarHBondContact OG1-CG 3.45Å; T269-K272 PolarHBondContact OG1-N 3.12Å; T269-G273 PolarHBondContact O-N 2.94Å
270P90.7Very high76.6Confident36 Ų3654.2 Ų54.223%0.23428%0.276CS..Hα-helixtrans-54.1-40.3174.5-29.737.6000113.8G273 A274P270-G273 CarbonylContact O-C 3.59Å; P270-G273 WeakPolarHBondContact O-CA 3.46Å; P270-G273 PolarHBondContact O-N 3Å; P270-A274 PolarHBondContact O-N 3.42Å
271W94Very high79Confident26 Ų2649.2 Ų49.210%0.09825%0.254CS..Hα-helixtrans-57.9-50.4173.6176.476.9000112.7L15 H39 D83 A85 T269 G273 A274L15-W271 HydrophobicContact CD1-CH2 3.89Å; L15-W271 HydrophobicContact CD1-CZ3 4.19Å; L15-W271 HydrophobicContact CD2-CH2 4.06Å; L15-W271 HydrophobicContact CD2-CZ3 3.88Å; H39-W271 HydrophobicContact CB-CB 4.43Å; H39-W271 PolarHBondContact CD2-N 2.71Å; H39-W271 AromaticContact ND1-CD1 3.77Å; D83-W271 HydrophobicContact CB-CD2 4.37Å; D83-W271 HydrophobicContact CB-CG 4.13Å; D83-W271 VanDerWaalsContact CG-CD1 3.46Å; D83-W271 WeakPolarHBondContact O-CZ2 3.08Å; D83-W271 PolarHBondContact O-NE1 3.1Å; D83-W271 VanDerWaalsContact O-NE1 3.16Å; D83-W271 VanDerWaalsContact OD2-CD1 3.24Å; A85-W271 HydrophobicContact CB-CH2 4.39Å; A85-W271 HydrophobicContact CB-CZ2 4.4Å; T269-W271 VanDerWaalsContact C-N 3.27Å; T269-W271 PolarHBondContact O-N 3.01Å; W271-G273 PolarHBondContact O-N 2.93Å; W271-A274 WeakPolarHBondContact O-CB 3.26Å; W271-A274 PolarHBondContact O-N 3.48Å; W271-A274 VanDerWaalsContact O-N 3.15Å
272K93.1Very high81.5Confident88 Ų8844.4 Ų44.438%0.38322%0.223SC..Hα-helixtrans-61.7-30.5174.1-74.7-179.2-178.7175.70111.3R13 L15 T268 T269 Q275R13-K272 PolarHBondContact NH2-O 2.7Å; L15-K272 HydrophobicContact CD2-CG 4.17Å; T268-K272 WeakPolarHBondContact OG1-CB 3.42Å; T269-K272 PolarHBondContact O-N 3.35Å; T269-K272 VanDerWaalsContact O-N 3.15Å; T269-K272 WeakPolarHBondContact OG1-CG 3.45Å; T269-K272 PolarHBondContact OG1-N 3.12Å; K272-Q275 WeakPolarHBondContact O-CB 3.44Å; K272-Q275 WeakPolarHBondContact O-CG 3.39Å; K272-Q275 PolarHBondContact O-N 2.96Å
273G92.8Very high83.9Confident0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-63.1-38.8174.900000113.7P240 T269 P270 W271 Q275P240-G273 WeakPolarHBondContact CB-O 3.45Å; P240-G273 WeakPolarHBondContact O-CA 3.2Å; T269-G273 PolarHBondContact O-N 2.94Å; P270-G273 CarbonylContact O-C 3.59Å; P270-G273 WeakPolarHBondContact O-CA 3.46Å; P270-G273 PolarHBondContact O-N 3Å; W271-G273 PolarHBondContact O-N 2.93Å; G273-Q275 PolarHBondContact O-N 2.85Å
274A96Very high86.3Confident0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-67.9-18.5179.300000113.9I36 H39 P270 W271 T276 T277 L278I36-A274 HydrophobicContact CG2-CB 4.19Å; H39-A274 HydrophobicContact CB-CB 3.95Å; P270-A274 PolarHBondContact O-N 3.42Å; W271-A274 WeakPolarHBondContact O-CB 3.26Å; W271-A274 PolarHBondContact O-N 3.48Å; W271-A274 VanDerWaalsContact O-N 3.15Å; A274-T276 VanDerWaalsContact C-N 3.32Å; A274-T276 PolarHBondContact O-N 3.24Å; A274-T277 WeakPolarHBondContact O-CA 3.36Å; A274-T277 VanDerWaalsContact O-CB 3.31Å; A274-T277 WeakPolarHBondContact O-CB 3.3Å; A274-T277 PolarHBondContact O-N 3Å; A274-L278 HydrophobicContact CB-CD1 4.16Å; A274-L278 WeakPolarHBondContact O-CG 3.35Å; A274-L278 PolarHBondContact O-N 3.36Å
275Q97Very high88.6Confident0 Ų036.2 Ų36.20%020%0.199CC..Hα-helixtrans-61.6-34.7-171.5-63.2-61.4-49.500114.1L15 K272 G273 Y279 C295L15-Q275 HydrophobicContact CD2-CG 3.77Å; K272-Q275 WeakPolarHBondContact O-CB 3.44Å; K272-Q275 WeakPolarHBondContact O-CG 3.39Å; K272-Q275 PolarHBondContact O-N 2.96Å; G273-Q275 PolarHBondContact O-N 2.85Å; Q275-Y279 WeakPolarHBondContact O-CB 3.39Å; Q275-Y279 PolarHBondContact O-N 3.23Å; Q275-C295 PolarHBondContact O-SG 3.44Å; Q275-C295 VanDerWaalsContact O-SG 3.41Å
276T97.1Very high90.8Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-71.5-37174.8-580000111.3L238 A274 Y279 T280 N294 C295L238-T276 HydrophobicContact CB-CG2 3.81Å; L238-T276 HydrophobicContact CD1-CG2 4.28Å; L238-T276 HydrophobicContact CD2-CG2 4.34Å; L238-T276 HydrophobicContact CG-CG2 4.38Å; A274-T276 VanDerWaalsContact C-N 3.32Å; A274-T276 PolarHBondContact O-N 3.24Å; T276-Y279 PolarHBondContact O-N 3.35Å; T276-T280 PolarHBondContact O-N 3.18Å; T276-T280 PolarHBondContact O-OG1 2.94Å; T276-T280 VanDerWaalsContact O-OG1 3.1Å; T276-N294 PolarHBondContact OG1-N 3.36Å; T276-C295 PolarHBondContact OG1-N 3.49Å
277T98.2Very high92.9Very high0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-61.6-45.4172.9-490000111.4T40 I132 I180 L238 A274 T280 A281T40-T277 HydrophobicContact CG2-CG2 3.61Å; I132-T277 HydrophobicContact CD1-CG2 4.2Å; I132-T277 HydrophobicContact CG2-CG2 3.79Å; I180-T277 HydrophobicContact CG2-CG2 4.24Å; L238-T277 VanDerWaalsContact CD2-CA 3.41Å; L238-T277 HydrophobicContact CD2-CG2 4.3Å; A274-T277 WeakPolarHBondContact O-CA 3.36Å; A274-T277 VanDerWaalsContact O-CB 3.31Å; A274-T277 WeakPolarHBondContact O-CB 3.3Å; A274-T277 PolarHBondContact O-N 3Å; T277-T280 WeakPolarHBondContact CA-OG1 3.3Å; T277-T280 PolarHBondContact O-N 3Å; T277-T280 PolarHBondContact O-OG1 3.39Å; T277-A281 WeakPolarHBondContact O-CB 3.23Å; T277-A281 PolarHBondContact O-N 3.11Å
278L98.2Very high94.5Very high0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-64.3-42.8176.8-67.4161.9000111.7C16 E43 L44 A274 T280 A281 L282C16-L278 HydrophobicContact CB-CB 4.34Å; E43-L278 HydrophobicContact CB-CD1 4.03Å; E43-L278 HydrophobicContact CB-CD2 3.74Å; E43-L278 HydrophobicContact CG-CD1 4.17Å; E43-L278 HydrophobicContact CG-CD2 4.02Å; E43-L278 WeakPolarHBondContact OE2-CD1 3.33Å; L44-L278 HydrophobicContact CD2-CD2 4.16Å; L44-L278 HydrophobicContact CG-CD2 4.22Å; A274-L278 HydrophobicContact CB-CD1 4.16Å; A274-L278 WeakPolarHBondContact O-CG 3.35Å; A274-L278 PolarHBondContact O-N 3.36Å; L278-T280 VanDerWaalsContact C-N 3.33Å; L278-T280 PolarHBondContact O-N 2.83Å; L278-A281 PolarHBondContact O-N 2.9Å; L278-A281 VanDerWaalsContact O-N 3.1Å; L278-L282 HydrophobicContact CB-CD1 4.33Å; L278-L282 VanDerWaalsContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CB 3.1Å; L278-L282 WeakPolarHBondContact O-CD1 3.45Å; L278-L282 WeakPolarHBondContact O-CG 3.35Å; L278-L282 PolarHBondContact O-N 3.3Å
279Y98.2Very high95.7Very high24 Ų2431.6 Ų31.69%0.09417%0.171CC..Hα-helixtrans-55.1-50173.2-179.8-96.1000111.2E7 T8 I18 Q275 T276 A281 L282 T283 Y292 C295E7-Y279 HydrophobicContact CB-CE2 3.83Å; E7-Y279 WeakPolarHBondContact OE2-CE2 3.32Å; E7-Y279 PolarHBondContact OE2-OH 3.26Å; T8-Y279 HydrophobicContact CG2-CD2 3.88Å; T8-Y279 HydrophobicContact CG2-CE2 3.98Å; I18-Y279 HydrophobicContact CD1-CD2 3.96Å; I18-Y279 HydrophobicContact CD1-CE2 4.15Å; Q275-Y279 WeakPolarHBondContact O-CB 3.39Å; Q275-Y279 PolarHBondContact O-N 3.23Å; T276-Y279 PolarHBondContact O-N 3.35Å; Y279-A281 VanDerWaalsContact C-N 3.27Å; Y279-A281 PolarHBondContact O-N 3.16Å; Y279-L282 PolarHBondContact O-N 3.03Å; Y279-L282 VanDerWaalsContact O-N 3.15Å; Y279-T283 HydrophobicContact CD1-CG2 4.31Å; Y279-T283 HydrophobicContact CE1-CG2 3.9Å; Y279-T283 WeakPolarHBondContact O-CG2 3.49Å; Y279-T283 PolarHBondContact O-N 3.48Å; Y279-Y292 HydrophobicContact CD1-CD1 4.17Å; Y279-Y292 AromaticContact CE1-CD1 3.89Å; Y279-Y292 HydrophobicContact CE1-CD1 3.89Å; Y279-Y292 AromaticContact CE1-CE1 3.86Å; Y279-Y292 HydrophobicContact CE1-CE1 3.86Å; Y279-C295 HydrophobicContact CD1-CB 4.06Å; Y279-C295 HydrophobicContact CD2-CB 3.83Å; Y279-C295 HydrophobicContact CE2-CB 4.46Å; Y279-C295 HydrophobicContact CG-CB 3.61Å
280T98.4Very high96.2Very high0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-67.7-23.1177.551.50000114R178 V236 L238 T276 T277 L278 L286 Y292R178-T280 WeakPolarHBondContact CD-O 3.4Å; R178-T280 PolarHBondContact NH1-O 3.31Å; V236-T280 HydrophobicContact CG2-CG2 4.04Å; L238-T280 HydrophobicContact CD2-CG2 4.18Å; L238-T280 WeakPolarHBondContact CD2-OG1 3.43Å; T276-T280 PolarHBondContact O-N 3.18Å; T276-T280 PolarHBondContact O-OG1 2.94Å; T276-T280 VanDerWaalsContact O-OG1 3.1Å; T277-T280 WeakPolarHBondContact CA-OG1 3.3Å; T277-T280 PolarHBondContact O-N 3Å; T277-T280 PolarHBondContact O-OG1 3.39Å; L278-T280 VanDerWaalsContact C-N 3.33Å; L278-T280 PolarHBondContact O-N 2.83Å; T280-L286 HydrophobicContact CG2-CD2 4.1Å; T280-L286 WeakPolarHBondContact O-CD1 3.41Å; T280-Y292 HydrophobicContact CG2-CD1 4.33Å; T280-Y292 HydrophobicContact CG2-CD2 3.9Å; T280-Y292 HydrophobicContact CG2-CG 3.76Å
281A98.5Very high96.6Very high1 Ų127.3 Ų27.31%0.00815%0.145CC..Hα-helixtrans-82.2-21.8173.700000113L44 F130 R178 I180 T277 L278 Y279L44-A281 HydrophobicContact CD2-CB 4.12Å; F130-A281 HydrophobicContact CD1-CB 4.38Å; F130-A281 HydrophobicContact CE1-CB 4.38Å; F130-A281 VanDerWaalsContact CE1-O 3.24Å; F130-A281 WeakPolarHBondContact CE1-O 3.44Å; R178-A281 PolarHBondContact NH1-O 3.03Å; I180-A281 HydrophobicContact CD1-CB 3.88Å; T277-A281 WeakPolarHBondContact O-CB 3.23Å; T277-A281 PolarHBondContact O-N 3.11Å; L278-A281 PolarHBondContact O-N 2.9Å; L278-A281 VanDerWaalsContact O-N 3.1Å; Y279-A281 VanDerWaalsContact C-N 3.27Å; Y279-A281 PolarHBondContact O-N 3.16Å
282L97.8Very high96.8Very high1 Ų126.3 Ų26.31%0.00514%0.141CC..Hα-helixtrans-115-31.9-168-62.3170.9000115.2I18 K20 L22 L278 Y279I18-L282 HydrophobicContact CB-CB 4.04Å; I18-L282 HydrophobicContact CD1-CB 3.96Å; I18-L282 HydrophobicContact CG2-CB 3.89Å; K20-L282 HydrophobicContact CB-CD2 4.38Å; L22-L282 HydrophobicContact CD1-CD2 4Å; L22-L282 HydrophobicContact CD2-CD2 4.12Å; L22-L282 HydrophobicContact CG-CD2 4.2Å; L278-L282 HydrophobicContact CB-CD1 4.33Å; L278-L282 VanDerWaalsContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CB 3.1Å; L278-L282 WeakPolarHBondContact O-CD1 3.45Å; L278-L282 WeakPolarHBondContact O-CG 3.35Å; L278-L282 PolarHBondContact O-N 3.3Å; Y279-L282 PolarHBondContact O-N 3.03Å; Y279-L282 VanDerWaalsContact O-N 3.15Å
283T96.8Very high96.9Very high0 Ų023.2 Ų23.20%013%0.131CC..  trans-65.6143.2-177.9-1760000111.2E7 R178 Y279 N285 L286E7-T283 VanDerWaalsContact CD-OG1 3.25Å; E7-T283 WeakPolarHBondContact OE1-CB 3.47Å; E7-T283 PolarHBondContact OE1-OG1 2.98Å; E7-T283 PolarHBondContact OE2-OG1 2.73Å; E7-T283 VanDerWaalsContact OE2-OG1 3.08Å; R178-T283 PolarHBondContact NH1-O 2.9Å; R178-T283 PolarHBondContact NH2-O 3.3Å; Y279-T283 HydrophobicContact CD1-CG2 4.31Å; Y279-T283 HydrophobicContact CE1-CG2 3.9Å; Y279-T283 WeakPolarHBondContact O-CG2 3.49Å; Y279-T283 PolarHBondContact O-N 3.48Å; T283-N285 VanDerWaalsContact C-N 3.29Å; T283-N285 PolarHBondContact OG1-N 3.31Å; T283-N285 VanDerWaalsContact OG1-N 3.13Å; T283-L286 HydrophobicContact CG2-CD1 3.57Å; T283-L286 HydrophobicContact CG2-CG 3.61Å; T283-L286 WeakPolarHBondContact O-CD1 3.32Å
284E94Very high97Very high128 Ų12824.8 Ų24.860%0.59814%0.139SC*.SBendtrans-79.2-17.9170.6-56.2-58.4167.300111.9K20 R178 L286K20-E284 IonicContact NZ-OE1 3.11Å; K20-E284 PolarHBondContact NZ-OE1 3.33Å; K20-E284 IonicContact NZ-OE2 3.2Å; R178-E284 IonicContact NH2-OE2 3.83Å; E284-L286 PolarHBondContact O-N 3.39Å
285N92.4Very high97Very high112 Ų11224.9 Ų24.960%0.59914%0.14SC*.  trans-100.654-172.4-60-51000111.8T283T283-N285 VanDerWaalsContact C-N 3.29Å; T283-N285 PolarHBondContact OG1-N 3.31Å; T283-N285 VanDerWaalsContact OG1-N 3.13Å
286L95.4Very high97Very high25 Ų2526.8 Ų26.813%0.13115%0.151CC..PPolyproline II helixtrans-82.5135.7171.2-84.6127.3000111.7R178 V234 V236 T280 T283 E284 P288 Y292R178-L286 VanDerWaalsContact CZ-CD1 3.46Å; V234-L286 HydrophobicContact CG1-CB 3.89Å; V236-L286 HydrophobicContact CB-CD2 4.02Å; V236-L286 HydrophobicContact CG1-CD2 3.43Å; V236-L286 VanDerWaalsContact CG1-CD2 3.43Å; V236-L286 HydrophobicContact CG2-CD2 3.58Å; T280-L286 HydrophobicContact CG2-CD2 4.1Å; T280-L286 WeakPolarHBondContact O-CD1 3.41Å; T283-L286 HydrophobicContact CG2-CD1 3.57Å; T283-L286 HydrophobicContact CG2-CG 3.61Å; T283-L286 WeakPolarHBondContact O-CD1 3.32Å; E284-L286 PolarHBondContact O-N 3.39Å; L286-P288 WeakPolarHBondContact O-CD 3.14Å; L286-Y292 HydrophobicContact CD2-CE2 3.98Å
287T97.4Very high97Very high66 Ų6630.6 Ų30.641%0.40517%0.171SC..PPolyproline II helixtrans-87.2116.6168-53.30000108.2V236 G289 G290 Y292 L297V236-T287 WeakPolarHBondContact CG1-O 3.47Å; T287-G289 PolarHBondContact O-N 2.96Å; T287-G290 WeakPolarHBondContact O-CA 3.34Å; T287-G290 PolarHBondContact O-N 3.47Å; T287-Y292 PolarHBondContact N-OH 2.9Å; T287-L297 HydrophobicContact CG2-CD2 4.43Å
288P97.9Very high96.9Very high76 Ų7635.8 Ų35.849%0.49419%0.194SC..THydrogen-bonded Turntrans-53134.5172.5-24.234.4000111S225 V234 L286 G290S225-P288 WeakPolarHBondContact OG-CA 3.37Å; S225-P288 WeakPolarHBondContact OG-CB 3.43Å; V234-P288 HydrophobicContact CG1-CB 4.49Å; V234-P288 HydrophobicContact CG1-CG 4.31Å; L286-P288 WeakPolarHBondContact O-CD 3.14Å; P288-G290 PolarHBondContact O-N 2.91Å
289G98.1Very high96.8Very high13 Ų1343 Ų4313%0.13423%0.225CC..THydrogen-bonded Turntrans761.1-17600000114.2I222 S225 A235 T287I222-G289 WeakPolarHBondContact CG1-O 3.35Å; S225-G289 VanDerWaalsContact CB-N 3.3Å; S225-G289 PolarHBondContact OG-N 3.37Å; A235-G289 PolarHBondContact O-N 2.92Å; T287-G289 PolarHBondContact O-N 2.96Å
290G98.1Very high96.7Very high6 Ų642.9 Ų42.96%0.06223%0.228CC..  trans-65.3145-175.400000113.9V236 S237 T287 P288V236-G290 WeakPolarHBondContact CB-O 3.46Å; S237-G290 PolarHBondContact N-O 3.14Å; T287-G290 WeakPolarHBondContact O-CA 3.34Å; T287-G290 PolarHBondContact O-N 3.47Å; P288-G290 PolarHBondContact O-N 2.91Å
291Y98.5Very high96.5Very high8 Ų843.2 Ų43.23%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-106116168.9177.6-92.1000109.6S184 H187 S237 H239 K298 P300S184-Y291 VanDerWaalsContact C-OH 3.26Å; S184-Y291 PolarHBondContact O-OH 3.12Å; H187-Y291 AromaticContact CE1-CE1 3.71Å; H187-Y291 AromaticContact CE1-CE2 3.62Å; H187-Y291 AromaticContact CE1-CZ 3.28Å; H187-Y291 PolarHBondContact CE1-OH 3.32Å; H187-Y291 VanDerWaalsContact CE1-OH 3.24Å; H187-Y291 AromaticContact ND1-CE2 3.78Å; H187-Y291 AromaticContact ND1-CZ 3.59Å; H187-Y291 PolarHBondContact ND1-OH 3.43Å; H187-Y291 VanDerWaalsContact ND1-OH 3.17Å; S237-Y291 CarbonylContact O-C 3.51Å; S237-Y291 WeakPolarHBondContact O-CA 3.49Å; S237-Y291 WeakPolarHBondContact OG-CD2 3.09Å; H239-Y291 VanDerWaalsContact CB-OH 3.28Å; H239-Y291 WeakPolarHBondContact CB-OH 3.19Å; Y291-K298 HydrophobicContact CD1-CB 4.04Å; Y291-K298 HydrophobicContact CE1-CB 4.48Å; Y291-K298 PolarHBondContact O-N 3.26Å; Y291-P300 HydrophobicContact CG-CB 4.3Å
292Y98.2Very high96.3Very high4 Ų449.9 Ų49.92%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-104.7139.1-175.7-72.1-100.7000111.7V236 S237 L238 H239 Y279 T280 L286 T287 T296 L297V236-Y292 HydrophobicContact CB-CD2 4.33Å; V236-Y292 HydrophobicContact CB-CE2 4.36Å; V236-Y292 HydrophobicContact CG1-CD2 4.45Å; V236-Y292 HydrophobicContact CG1-CE2 3.99Å; S237-Y292 PolarHBondContact O-N 3.43Å; L238-Y292 CarbonylContact C-O 3.28Å; L238-Y292 WeakPolarHBondContact CA-O 3.35Å; L238-Y292 WeakPolarHBondContact CB-O 3.46Å; H239-Y292 PolarHBondContact N-O 3.06Å; Y279-Y292 HydrophobicContact CD1-CD1 4.17Å; Y279-Y292 AromaticContact CE1-CD1 3.89Å; Y279-Y292 HydrophobicContact CE1-CD1 3.89Å; Y279-Y292 AromaticContact CE1-CE1 3.86Å; Y279-Y292 HydrophobicContact CE1-CE1 3.86Å; T280-Y292 HydrophobicContact CG2-CD1 4.33Å; T280-Y292 HydrophobicContact CG2-CD2 3.9Å; T280-Y292 HydrophobicContact CG2-CG 3.76Å; L286-Y292 HydrophobicContact CD2-CE2 3.98Å; T287-Y292 PolarHBondContact N-OH 2.9Å; Y292-T296 CarbonylContact C-O 3.58Å; Y292-T296 WeakPolarHBondContact CA-O 3.5Å; Y292-L297 HydrophobicContact CD1-CB 4.4Å; Y292-L297 HydrophobicContact CD2-CD1 4.35Å; Y292-L297 HydrophobicContact CE1-CB 3.96Å; Y292-L297 HydrophobicContact CE1-CD1 4.4Å; Y292-L297 HydrophobicContact CE2-CD1 3.87Å
293S95.9Very high96Very high24 Ų2452.1 Ų52.117%0.16827%0.267CS..EExtended strand (participates in β ladder)trans-144133.9170.5-173.50000109.6H239 C295 T296H239-S293 PolarHBondContact CD2-OG 3.11Å; S293-C295 VanDerWaalsContact C-N 3.3Å; S293-C295 PolarHBondContact O-N 3.26Å; S293-T296 PolarHBondContact N-O 3.34Å; S293-T296 PolarHBondContact O-N 2.96Å
294N95.2Very high95.9Very high32 Ų3252.1 Ų52.117%0.17127%0.267CS..SBendtrans53.751.4-175.6-159.734.4000110.3W12 R13 K14 T276 T296W12-N294 PolarHBondContact O-ND2 2.97Å; R13-N294 WeakPolarHBondContact CA-OD1 3.47Å; K14-N294 WeakPolarHBondContact CD-O 3.49Å; K14-N294 PolarHBondContact N-OD1 2.78Å; T276-N294 PolarHBondContact OG1-N 3.36Å; N294-T296 PolarHBondContact O-N 2.82Å; N294-T296 PolarHBondContact O-OG1 2.93Å
295C96Very high95.9Very high3 Ų349.6 Ų49.62%0.0226%0.255CS..SBendtrans51.231.7-179.8-500000114.5T8 K14 Q275 T276 Y279 S293T8-C295 HydrophobicContact CG2-CB 3.53Å; K14-C295 HydrophobicContact CB-CB 4.09Å; K14-C295 HydrophobicContact CD-CB 4.47Å; Q275-C295 PolarHBondContact O-SG 3.44Å; Q275-C295 VanDerWaalsContact O-SG 3.41Å; T276-C295 PolarHBondContact OG1-N 3.49Å; Y279-C295 HydrophobicContact CD1-CB 4.06Å; Y279-C295 HydrophobicContact CD2-CB 3.83Å; Y279-C295 HydrophobicContact CE2-CB 4.46Å; Y279-C295 HydrophobicContact CG-CB 3.61Å; S293-C295 VanDerWaalsContact C-N 3.3Å; S293-C295 PolarHBondContact O-N 3.26Å
296T96Very high96.1Very high39 Ų3949.1 Ų49.124%0.23925%0.248CC..SBendtrans-141.1139.2-176.3-48.90000109.2K14 Y292 S293 N294 K298K14-T296 PolarHBondContact NZ-OG1 3.2Å; Y292-T296 CarbonylContact C-O 3.58Å; Y292-T296 WeakPolarHBondContact CA-O 3.5Å; S293-T296 PolarHBondContact N-O 3.34Å; S293-T296 PolarHBondContact O-N 2.96Å; N294-T296 PolarHBondContact O-N 2.82Å; N294-T296 PolarHBondContact O-OG1 2.93Å; T296-K298 PolarHBondContact O-N 3.21Å
297L97.3Very high96.1Very high80 Ų8050.8 Ų50.842%0.41926%0.259SS..EExtended strand (participates in β ladder)trans-61.2134.2172.7-176.365.8000110T287 Y292T287-L297 HydrophobicContact CG2-CD2 4.43Å; Y292-L297 HydrophobicContact CD1-CB 4.4Å; Y292-L297 HydrophobicContact CD2-CD1 4.35Å; Y292-L297 HydrophobicContact CE1-CB 3.96Å; Y292-L297 HydrophobicContact CE1-CD1 4.4Å; Y292-L297 HydrophobicContact CE2-CD1 3.87Å
298K97Very high96.1Very high110 Ų11054.1 Ų54.148%0.47827%0.27SS..EExtended strand (participates in β ladder)trans-135.2155.7178.9-64.6-62.1177.9-1750110.1Y291 T296Y291-K298 HydrophobicContact CD1-CB 4.04Å; Y291-K298 HydrophobicContact CE1-CB 4.48Å; Y291-K298 PolarHBondContact O-N 3.26Å; T296-K298 PolarHBondContact O-N 3.21Å
299K96.6Very high95.9Very high151 Ų15151.6 Ų51.666%0.65725%0.252SS*.  trans-71.4125.7173.8-164169.4-174171.90109.6
300P96Very high95.8Very high22 Ų2251.8 Ų51.814%0.14325%0.249CC..  trans-71.3178.9173.230.5-33.5000110.6H187 I222 Y291 A304 Q305H187-P300 WeakPolarHBondContact NE2-CA 3.43Å; I222-P300 HydrophobicContact CD1-CB 4.43Å; I222-P300 HydrophobicContact CD1-CG 3.9Å; Y291-P300 HydrophobicContact CG-CB 4.3Å; P300-A304 HydrophobicContact CB-CB 4.14Å; P300-Q305 HydrophobicContact CG-CG 4.05Å; P300-Q305 PolarHBondContact O-NE2 2.94Å
301S93.7Very high95.7Very high6 Ų656.7 Ų56.74%0.04227%0.269CS..  trans-57.3154.5178.384.60000111.7H187 L215 Y303 A304 Q305H187-S301 PolarHBondContact NE2-N 2.98Å; L215-S301 WeakPolarHBondContact CD1-OG 3.4Å; S301-Y303 PolarHBondContact O-N 2.8Å; S301-Y303 PolarHBondContact OG-N 3.43Å; S301-A304 PolarHBondContact O-N 3.06Å; S301-A304 VanDerWaalsContact O-N 3.16Å; S301-A304 PolarHBondContact OG-N 2.95Å; S301-Q305 PolarHBondContact O-N 2.76Å; S301-Q305 PolarHBondContact O-NE2 2.89Å
302K94.1Very high95.5Very high142 Ų14259.8 Ų59.862%0.61728%0.28SS*.Hα-helixtrans-60.1-30.3174.164.8-179.5-179.3179.20112.6Q305K302-Q305 PolarHBondContact O-N 3.13Å
303Y91.3Very high95.4Very high48 Ų4859.7 Ų59.719%0.18828%0.28CS..Hα-helixtrans-70-38.8177-59.2-79.8000111.4R191 S301 Q305 K306R191-Y303 VanDerWaalsContact CZ-CE2 3.44Å; R191-Y303 VanDerWaalsContact CZ-OH 3.25Å; R191-Y303 PolarHBondContact NE-OH 2.88Å; S301-Y303 PolarHBondContact O-N 2.8Å; S301-Y303 PolarHBondContact OG-N 3.43Å; Y303-Q305 PolarHBondContact O-N 2.96Å; Y303-K306 PolarHBondContact O-N 3.35Å
304A94.7Very high95.4Very high0 Ų058.7 Ų58.70%027%0.273CS..Hα-helixtrans-66.4-25.4176.900000113.1L215 A218 M219 I222 P300 S301 R310L215-A304 HydrophobicContact CD1-CB 4Å; A218-A304 HydrophobicContact CB-CB 4.24Å; M219-A304 HydrophobicContact CG-CB 3.88Å; I222-A304 HydrophobicContact CD1-CB 3.98Å; I222-A304 WeakPolarHBondContact CD1-O 3.18Å; P300-A304 HydrophobicContact CB-CB 4.14Å; S301-A304 PolarHBondContact O-N 3.06Å; S301-A304 VanDerWaalsContact O-N 3.16Å; S301-A304 PolarHBondContact OG-N 2.95Å; A304-R310 WeakPolarHBondContact O-CD 3.08Å; A304-R310 WeakPolarHBondContact O-CG 3.14Å; A304-R310 PolarHBondContact O-NH1 2.99Å
305Q94.2Very high95.4Very high75 Ų7561.6 Ų61.635%0.3529%0.288SS..Hα-helixtrans-81.8-14.6-178.6-70.9167.575.100114.1P300 S301 K302 Y303 V307 R310P300-Q305 HydrophobicContact CG-CG 4.05Å; P300-Q305 PolarHBondContact O-NE2 2.94Å; S301-Q305 PolarHBondContact O-N 2.76Å; S301-Q305 PolarHBondContact O-NE2 2.89Å; K302-Q305 PolarHBondContact O-N 3.13Å; Y303-Q305 PolarHBondContact O-N 2.96Å; Q305-V307 PolarHBondContact O-N 2.95Å; Q305-R310 PolarHBondContact O-NH1 3.1Å
306K96.1Very high95.4Very high101 Ų10163.9 Ų63.944%0.43930%0.297SS..  trans-75.6117.6177.9-69.5179173.2-162.80111Y303 E308 D309 R310Y303-K306 PolarHBondContact O-N 3.35Å; K306-E308 VanDerWaalsContact C-N 3.32Å; K306-E308 PolarHBondContact O-N 3.17Å; K306-D309 HydrophobicContact CB-CB 3.97Å; K306-D309 WeakPolarHBondContact CD-OD2 3.28Å; K306-D309 PolarHBondContact O-N 3.1Å; K306-R310 WeakPolarHBondContact O-CG 3.5Å; K306-R310 PolarHBondContact O-N 2.83Å; K306-R310 PolarHBondContact O-NH1 3.36Å
307V96.6Very high95.5Very high60 Ų6062 Ų6236%0.36429%0.286SS..Hα-helixtrans-61.9-43.1-176.4178.50000110.6Q305 D309 R310 K311Q305-V307 PolarHBondContact O-N 2.95Å; V307-D309 PolarHBondContact O-N 3.22Å; V307-R310 PolarHBondContact O-N 3.42Å; V307-K311 HydrophobicContact CG1-CD 4.06Å; V307-K311 HydrophobicContact CG1-CG 4.35Å; V307-K311 WeakPolarHBondContact O-CG 3.43Å; V307-K311 PolarHBondContact O-N 2.9Å
308E95.8Very high95.5Very high137 Ų13758.7 Ų58.764%0.6427%0.27SS*.Hα-helixtrans-64.9-43.1-177-54.772.9-157.400110.8K306 W312K306-E308 VanDerWaalsContact C-N 3.32Å; K306-E308 PolarHBondContact O-N 3.17Å; E308-W312 WeakPolarHBondContact O-CB 3.46Å; E308-W312 PolarHBondContact O-N 3.48Å
309D94.7Very high95.4Very high22 Ų2259.1 Ų59.112%0.11827%0.273CS..Hα-helixtrans-65-41.3176.1-75.8-24.9000110.7I192 K194 M219 K306 V307 F313I192-D309 HydrophobicContact CD1-CB 4.13Å; K194-D309 IonicContact NZ-OD1 3.38Å; K194-D309 PolarHBondContact NZ-OD1 3.35Å; M219-D309 HydrophobicContact CE-CB 3.81Å; M219-D309 VanDerWaalsContact CE-O 3.23Å; M219-D309 WeakPolarHBondContact CE-O 3.46Å; K306-D309 HydrophobicContact CB-CB 3.97Å; K306-D309 WeakPolarHBondContact CD-OD2 3.28Å; K306-D309 PolarHBondContact O-N 3.1Å; V307-D309 PolarHBondContact O-N 3.22Å; D309-F313 WeakPolarHBondContact O-CB 3.43Å; D309-F313 PolarHBondContact O-N 2.99Å
310R95.7Very high95.3Very high18 Ų1855.4 Ų55.47%0.06826%0.26CS..Hα-helixtrans-63.1-51.2177.2-74.6-161.6-53.5-80.25.8112.8M219 I222 E223 A304 Q305 K306 V307 W312 F313 W314M219-R310 HydrophobicContact CB-CG 4.15Å; M219-R310 HydrophobicContact CE-CB 4.39Å; M219-R310 HydrophobicContact CE-CG 4.02Å; M219-R310 HydrophobicContact CG-CG 4.13Å; M219-R310 WeakPolarHBondContact O-CD 3.44Å; I222-R310 VanDerWaalsContact CG2-NE 3.34Å; E223-R310 HydrophobicContact CB-CB 4.31Å; E223-R310 IonicContact OE2-NE 2.83Å; A304-R310 WeakPolarHBondContact O-CD 3.08Å; A304-R310 WeakPolarHBondContact O-CG 3.14Å; A304-R310 PolarHBondContact O-NH1 2.99Å; Q305-R310 PolarHBondContact O-NH1 3.1Å; K306-R310 WeakPolarHBondContact O-CG 3.5Å; K306-R310 PolarHBondContact O-N 2.83Å; K306-R310 PolarHBondContact O-NH1 3.36Å; V307-R310 PolarHBondContact O-N 3.42Å; R310-W312 VanDerWaalsContact C-N 3.33Å; R310-W312 PolarHBondContact O-N 3.13Å; R310-F313 PolarHBondContact O-N 2.84Å; R310-W314 WeakPolarHBondContact O-CB 2.87Å; R310-W314 PolarHBondContact O-N 3.5Å
311K95.8Very high95.4Very high109 Ų10954.7 Ų54.747%0.47426%0.255SS..Hα-helixtrans-60.6-43.2178.4-73.6-174.6174.1-174.10111.5V307 F313 W314 N315V307-K311 HydrophobicContact CG1-CD 4.06Å; V307-K311 HydrophobicContact CG1-CG 4.35Å; V307-K311 WeakPolarHBondContact O-CG 3.43Å; V307-K311 PolarHBondContact O-N 2.9Å; K311-F313 PolarHBondContact O-N 3.06Å; K311-W314 PolarHBondContact O-N 2.67Å; K311-N315 WeakPolarHBondContact O-CB 3.16Å; K311-N315 PolarHBondContact O-N 3.34Å; K311-N315 PolarHBondContact O-ND2 2.84Å; K311-N315 PolarHBondContact O-OD1 2.97Å
312W95.3Very high95.4Very high73 Ų7361.6 Ų61.628%0.27729%0.292SS..Hα-helixtrans-60.3-46174.7-18086.5000111.6I192 K194 P195 L197 E308 R310 W314 N315 K316I192-W312 HydrophobicContact CG2-CE3 4.31Å; I192-W312 HydrophobicContact CG2-CH2 4.25Å; I192-W312 HydrophobicContact CG2-CZ3 3.53Å; K194-W312 HydrophobicContact CG-CE3 4.36Å; K194-W312 HydrophobicContact CG-CH2 3.79Å; K194-W312 HydrophobicContact CG-CZ2 4.02Å; K194-W312 HydrophobicContact CG-CZ3 3.96Å; P195-W312 WeakPolarHBondContact O-CZ2 3.27Å; L197-W312 HydrophobicContact CD2-CE3 4.37Å; L197-W312 HydrophobicContact CD2-CH2 4.08Å; L197-W312 HydrophobicContact CD2-CZ3 3.58Å; L197-W312 HydrophobicContact CG-CH2 4.4Å; L197-W312 HydrophobicContact CG-CZ3 4.38Å; E308-W312 WeakPolarHBondContact O-CB 3.46Å; E308-W312 PolarHBondContact O-N 3.48Å; R310-W312 VanDerWaalsContact C-N 3.33Å; R310-W312 PolarHBondContact O-N 3.13Å; W312-W314 PolarHBondContact O-N 3.12Å; W312-N315 PolarHBondContact O-N 3.22Å; W312-K316 HydrophobicContact CH2-CG 4.32Å; W312-K316 HydrophobicContact CZ2-CB 4.45Å; W312-K316 HydrophobicContact CZ2-CG 4.21Å; W312-K316 VanDerWaalsContact O-CB 3.27Å; W312-K316 WeakPolarHBondContact O-CB 3.46Å; W312-K316 PolarHBondContact O-N 3.28Å
313F94.4Very high95.4Very high2 Ų256.4 Ų56.41%0.00927%0.27CS..Hα-helixtrans-63.8-42.2-178.5-155.7-84.5000111.7M153 Y157 I192 L197 L212 A216 M219 D309 R310 K311 T317M153-F313 HydrophobicContact CE-CZ 4.15Å; Y157-F313 AromaticContact CD1-CE1 3.93Å; Y157-F313 HydrophobicContact CD1-CE1 3.93Å; Y157-F313 HydrophobicContact CD1-CZ 4.45Å; Y157-F313 HydrophobicContact CE1-CD1 4.05Å; Y157-F313 AromaticContact CE1-CE1 3.29Å; Y157-F313 HydrophobicContact CE1-CE1 3.29Å; Y157-F313 HydrophobicContact CE1-CZ 4.15Å; Y157-F313 HydrophobicContact CE2-CE1 4.21Å; Y157-F313 AromaticContact CZ-CD1 3.85Å; Y157-F313 AromaticContact CZ-CE1 3.44Å; Y157-F313 VanDerWaalsContact CZ-CE1 3.44Å; Y157-F313 WeakPolarHBondContact OH-CD1 3.12Å; I192-F313 HydrophobicContact CD1-CD2 4.08Å; I192-F313 HydrophobicContact CG1-CD2 4.23Å; I192-F313 HydrophobicContact CG1-CE2 4.24Å; I192-F313 HydrophobicContact CG2-CD2 4.06Å; I192-F313 HydrophobicContact CG2-CE2 4.1Å; L197-F313 HydrophobicContact CD2-CB 4.37Å; L197-F313 HydrophobicContact CD2-CD1 3.9Å; L197-F313 HydrophobicContact CD2-CD2 3.29Å; L197-F313 HydrophobicContact CD2-CE1 3.93Å; L197-F313 HydrophobicContact CD2-CE2 3.32Å; L197-F313 HydrophobicContact CD2-CG 3.59Å; L197-F313 HydrophobicContact CD2-CZ 3.64Å; L212-F313 HydrophobicContact CD1-CE2 4.28Å; A216-F313 HydrophobicContact CB-CE1 3.44Å; A216-F313 VanDerWaalsContact CB-CE1 3.44Å; A216-F313 HydrophobicContact CB-CZ 3.46Å; A216-F313 VanDerWaalsContact CB-CZ 3.46Å; M219-F313 HydrophobicContact CE-CB 3.78Å; M219-F313 HydrophobicContact CE-CD2 4.22Å; M219-F313 HydrophobicContact CE-CG 4.12Å; M219-F313 HydrophobicContact SD-CD2 4.42Å; D309-F313 WeakPolarHBondContact O-CB 3.43Å; D309-F313 PolarHBondContact O-N 2.99Å; R310-F313 PolarHBondContact O-N 2.84Å; K311-F313 PolarHBondContact O-N 3.06Å; F313-T317 WeakPolarHBondContact O-CB 3.45Å; F313-T317 PolarHBondContact O-N 2.68Å; F313-T317 VanDerWaalsContact O-N 3.1Å; F313-T317 PolarHBondContact O-OG1 2.72Å
314W96.1Very high95.2Very high3 Ų362.9 Ų62.91%0.01130%0.299CS..Hα-helixtrans-60.1-57.6173.8-178.3-76.3000111.5F161 E165 H220 E223 L224 R227 R310 K311 W312 K316 T317 C318 C325F161-W314 AromaticContact CE2-CD2 3.95Å; F161-W314 HydrophobicContact CE2-CD2 3.95Å; F161-W314 AromaticContact CE2-CE3 3.74Å; F161-W314 HydrophobicContact CE2-CE3 3.74Å; F161-W314 HydrophobicContact CE2-CH2 4.15Å; F161-W314 HydrophobicContact CE2-CZ2 4.36Å; F161-W314 AromaticContact CE2-CZ3 3.87Å; F161-W314 HydrophobicContact CE2-CZ3 3.87Å; F161-W314 HydrophobicContact CZ-CD2 4.03Å; F161-W314 AromaticContact CZ-CE2 3.96Å; F161-W314 HydrophobicContact CZ-CE3 4.26Å; F161-W314 HydrophobicContact CZ-CH2 4.3Å; F161-W314 HydrophobicContact CZ-CZ2 4.09Å; F161-W314 HydrophobicContact CZ-CZ3 4.41Å; E165-W314 WeakPolarHBondContact OE1-CH2 3.31Å; H220-W314 AromaticContact CD2-CZ3 3.53Å; H220-W314 AromaticContact NE2-CZ3 3.85Å; E223-W314 HydrophobicContact CB-CE3 3.92Å; E223-W314 HydrophobicContact CB-CZ3 4.49Å; E223-W314 HydrophobicContact CG-CB 4.01Å; E223-W314 HydrophobicContact CG-CD2 3.86Å; E223-W314 HydrophobicContact CG-CE3 3.47Å; E223-W314 VanDerWaalsContact CG-CE3 3.47Å; E223-W314 HydrophobicContact CG-CG 4.09Å; E223-W314 HydrophobicContact CG-CZ3 4.26Å; L224-W314 HydrophobicContact CB-CH2 4.37Å; L224-W314 HydrophobicContact CB-CZ3 3.88Å; L224-W314 HydrophobicContact CD1-CH2 3.69Å; L224-W314 HydrophobicContact CD1-CZ3 4.07Å; R227-W314 VanDerWaalsContact CD-CZ2 3.42Å; R227-W314 VanDerWaalsContact CZ-NE1 3.28Å; R310-W314 WeakPolarHBondContact O-CB 2.87Å; R310-W314 PolarHBondContact O-N 3.5Å; K311-W314 PolarHBondContact O-N 2.67Å; W312-W314 PolarHBondContact O-N 3.12Å; W314-K316 VanDerWaalsContact C-N 3.3Å; W314-K316 PolarHBondContact O-N 2.86Å; W314-T317 WeakPolarHBondContact O-CA 3.3Å; W314-T317 WeakPolarHBondContact O-CB 3.48Å; W314-T317 PolarHBondContact O-N 2.86Å; W314-C318 PolarHBondContact NE1-SG 3.22Å; W314-C318 VanDerWaalsContact NE1-SG 3.44Å; W314-C318 PolarHBondContact O-N 2.9Å; W314-C318 PolarHBondContact O-SG 3.01Å; W314-C325 HydrophobicContact CZ2-CB 4Å
315N95.9Very high94.3Very high92 Ų9263.3 Ų63.349%0.49230%0.302SS..Hα-helixtrans-60.2-41.8-176.2-67.9-8.7000111.6K311 W312 T317 C318 E319K311-N315 WeakPolarHBondContact O-CB 3.16Å; K311-N315 PolarHBondContact O-N 3.34Å; K311-N315 PolarHBondContact O-ND2 2.84Å; K311-N315 PolarHBondContact O-OD1 2.97Å; W312-N315 PolarHBondContact O-N 3.22Å; N315-T317 VanDerWaalsContact C-N 3.27Å; N315-T317 PolarHBondContact O-N 3.37Å; N315-C318 PolarHBondContact O-N 2.5Å; N315-E319 WeakPolarHBondContact O-CB 3.16Å; N315-E319 PolarHBondContact O-N 3.42Å
316K96.4Very high92.8Very high51 Ų5166.1 Ų66.122%0.22232%0.32CS..Hα-helixtrans-65.7-32.2177.2-168.553.9166.5-179.90112.2L197 W312 W314 E319 L320L197-K316 HydrophobicContact CD1-CB 3.75Å; L197-K316 HydrophobicContact CD1-CG 3.6Å; L197-K316 HydrophobicContact CD2-CB 4.32Å; L197-K316 HydrophobicContact CD2-CG 4.41Å; L197-K316 HydrophobicContact CG-CB 4.07Å; L197-K316 HydrophobicContact CG-CG 3.71Å; W312-K316 HydrophobicContact CH2-CG 4.32Å; W312-K316 HydrophobicContact CZ2-CB 4.45Å; W312-K316 HydrophobicContact CZ2-CG 4.21Å; W312-K316 VanDerWaalsContact O-CB 3.27Å; W312-K316 WeakPolarHBondContact O-CB 3.46Å; W312-K316 PolarHBondContact O-N 3.28Å; W314-K316 VanDerWaalsContact C-N 3.3Å; W314-K316 PolarHBondContact O-N 2.86Å; K316-E319 WeakPolarHBondContact CD-OE2 3.4Å; K316-E319 IonicContact NZ-OE1 2.67Å; K316-E319 PolarHBondContact NZ-OE1 2.62Å; K316-E319 IonicContact NZ-OE2 3.58Å; K316-E319 PolarHBondContact NZ-OE2 3.33Å; K316-L320 VanDerWaalsContact O-CG 3.32Å; K316-L320 WeakPolarHBondContact O-CG 3.41Å; K316-L320 PolarHBondContact O-N 2.95Å
317T97.2Very high90.9Very high1 Ų164.9 Ų64.91%0.00632%0.318CS..Hα-helixtrans-70.4-43.2175.9-57.20000110.8Y157 F161 L197 F313 W314 N315 E319 L320 L321Y157-T317 HydrophobicContact CE1-CG2 3.85Å; Y157-T317 WeakPolarHBondContact CE1-OG1 3.09Å; Y157-T317 PolarHBondContact OH-OG1 3.43Å; F161-T317 HydrophobicContact CB-CG2 4.33Å; F161-T317 HydrophobicContact CD1-CG2 3.53Å; F161-T317 HydrophobicContact CD2-CG2 4.11Å; F161-T317 HydrophobicContact CE1-CG2 3.75Å; F161-T317 HydrophobicContact CE2-CG2 4.32Å; F161-T317 HydrophobicContact CG-CG2 3.72Å; F161-T317 HydrophobicContact CZ-CG2 4.16Å; L197-T317 VanDerWaalsContact CD1-OG1 3.27Å; L197-T317 WeakPolarHBondContact CD1-OG1 3.48Å; F313-T317 WeakPolarHBondContact O-CB 3.45Å; F313-T317 PolarHBondContact O-N 2.68Å; F313-T317 VanDerWaalsContact O-N 3.1Å; F313-T317 PolarHBondContact O-OG1 2.72Å; W314-T317 WeakPolarHBondContact O-CA 3.3Å; W314-T317 WeakPolarHBondContact O-CB 3.48Å; W314-T317 PolarHBondContact O-N 2.86Å; N315-T317 VanDerWaalsContact C-N 3.27Å; N315-T317 PolarHBondContact O-N 3.37Å; T317-E319 VanDerWaalsContact C-N 3.34Å; T317-E319 PolarHBondContact O-N 3Å; T317-L320 PolarHBondContact O-N 3.22Å; T317-L321 HydrophobicContact CG2-CD1 3.89Å; T317-L321 HydrophobicContact CG2-CG 4.48Å; T317-L321 WeakPolarHBondContact O-CB 3.35Å; T317-L321 WeakPolarHBondContact O-CG 3.45Å; T317-L321 PolarHBondContact O-N 3.47Å
318C97Very high90.6Very high10 Ų1065.2 Ų65.27%0.06832%0.316CS..Hα-helixtrans-61.8-41.4174.8-58.80000112.2W314 N315 L321 N322 I323 C325W314-C318 PolarHBondContact NE1-SG 3.22Å; W314-C318 VanDerWaalsContact NE1-SG 3.44Å; W314-C318 PolarHBondContact O-N 2.9Å; W314-C318 PolarHBondContact O-SG 3.01Å; N315-C318 PolarHBondContact O-N 2.5Å; C318-L321 CarbonylContact O-C 3.45Å; C318-L321 PolarHBondContact O-N 3.47Å; C318-N322 PolarHBondContact O-N 3.49Å; C318-I323 HydrophobicContact CB-CG1 4.38Å; C318-I323 PolarHBondContact O-N 3.05Å; C318-I323 VanDerWaalsContact O-N 3.11Å; C318-C325 HydrophobicContact CB-CB 4.01Å; C318-C325 WeakPolarHBondContact CB-SG 3.47Å; C318-C325 WeakPolarHBondContact SG-CB 3.15Å; C318-C325 CovalentContact SG-SG 2.02Å; C318-C325 PolarHBondContact SG-SG 3.49Å
319E95.7Very high90.3Very high119 Ų11961.4 Ų61.456%0.55630%0.299SS*.Hα-helixtrans-58.4-51.2173.1-172.8-159.7137.200111.2N315 K316 T317 L321 N322N315-E319 WeakPolarHBondContact O-CB 3.16Å; N315-E319 PolarHBondContact O-N 3.42Å; K316-E319 WeakPolarHBondContact CD-OE2 3.4Å; K316-E319 IonicContact NZ-OE1 2.67Å; K316-E319 PolarHBondContact NZ-OE1 2.62Å; K316-E319 IonicContact NZ-OE2 3.58Å; K316-E319 PolarHBondContact NZ-OE2 3.33Å; T317-E319 VanDerWaalsContact C-N 3.34Å; T317-E319 PolarHBondContact O-N 3Å; E319-L321 VanDerWaalsContact C-N 3.25Å; E319-L321 PolarHBondContact O-N 3.37Å; E319-N322 PolarHBondContact O-N 2.98Å; E319-N322 VanDerWaalsContact O-N 3.12Å
320L95.5Very high90.1Very high73 Ų7363.6 Ų63.638%0.38231%0.309SS..Hα-helixtrans-62.7-31.4179.1-74.2-177.7000113.3F149 L197 K316 T317F149-L320 HydrophobicContact CE1-CB 4.21Å; F149-L320 HydrophobicContact CE1-CD1 4.25Å; L197-L320 HydrophobicContact CB-CD1 4.38Å; L197-L320 HydrophobicContact CD1-CD1 3.71Å; L197-L320 HydrophobicContact CG-CD1 4.47Å; K316-L320 VanDerWaalsContact O-CG 3.32Å; K316-L320 WeakPolarHBondContact O-CG 3.41Å; K316-L320 PolarHBondContact O-N 2.95Å; T317-L320 PolarHBondContact O-N 3.22Å
321L96.9Very high89.7Confident7 Ų766.2 Ų66.24%0.03732%0.323CS..Hα-helixtrans-87.7-7.3179-71.3175.2000113.3L111 F149 I158 F161 L162 T317 C318 E319 I323L111-L321 HydrophobicContact CD1-CD2 3.67Å; L111-L321 HydrophobicContact CD2-CD2 3.59Å; L111-L321 HydrophobicContact CG-CD2 4.29Å; F149-L321 HydrophobicContact CZ-CD2 4.48Å; I158-L321 HydrophobicContact CG2-CD1 4.45Å; I158-L321 HydrophobicContact CG2-CD2 3.7Å; I158-L321 HydrophobicContact CG2-CG 4.27Å; F161-L321 HydrophobicContact CD1-CD1 3.51Å; F161-L321 HydrophobicContact CE1-CD1 4Å; L162-L321 HydrophobicContact CB-CD1 4.03Å; L162-L321 HydrophobicContact CB-CD2 4.46Å; L162-L321 HydrophobicContact CD1-CD1 4.49Å; T317-L321 HydrophobicContact CG2-CD1 3.89Å; T317-L321 HydrophobicContact CG2-CG 4.48Å; T317-L321 WeakPolarHBondContact O-CB 3.35Å; T317-L321 WeakPolarHBondContact O-CG 3.45Å; T317-L321 PolarHBondContact O-N 3.47Å; C318-L321 CarbonylContact O-C 3.45Å; C318-L321 PolarHBondContact O-N 3.47Å; E319-L321 VanDerWaalsContact C-N 3.25Å; E319-L321 PolarHBondContact O-N 3.37Å; L321-I323 VanDerWaalsContact C-N 3.3Å; L321-I323 HydrophobicContact CB-CD1 4.23Å; L321-I323 HydrophobicContact CB-CG1 3.92Å; L321-I323 HydrophobicContact CB-CG2 4.38Å; L321-I323 HydrophobicContact CD1-CD1 4.12Å; L321-I323 PolarHBondContact O-N 3.29Å
322N94.5Very high89.4Confident151 Ų15163.6 Ų63.681%0.80731%0.313SS*.THydrogen-bonded Turntrans48.349.6-171.6-167.131000112.5C318 E319C318-N322 PolarHBondContact O-N 3.49Å; E319-N322 PolarHBondContact O-N 2.98Å; E319-N322 VanDerWaalsContact O-N 3.12Å
323I93Very high89Confident33 Ų3362.9 Ų62.917%0.16932%0.316CS..  trans-122.6147.9176.362.2172.7000111.2F161 L162 E165 C318 L321F161-I323 HydrophobicContact CE1-CD1 4.15Å; L162-I323 HydrophobicContact CD1-CD1 4.05Å; L162-I323 HydrophobicContact CD1-CG2 4.18Å; E165-I323 HydrophobicContact CB-CD1 4.22Å; E165-I323 HydrophobicContact CG-CD1 4.16Å; C318-I323 HydrophobicContact CB-CG1 4.38Å; C318-I323 PolarHBondContact O-N 3.05Å; C318-I323 VanDerWaalsContact O-N 3.11Å; L321-I323 VanDerWaalsContact C-N 3.3Å; L321-I323 HydrophobicContact CB-CD1 4.23Å; L321-I323 HydrophobicContact CB-CG1 3.92Å; L321-I323 HydrophobicContact CB-CG2 4.38Å; L321-I323 HydrophobicContact CD1-CD1 4.12Å; L321-I323 PolarHBondContact O-N 3.29Å
324K87.2Confident88.6Confident184 Ų18467.3 Ų67.380%0.834%0.338SS*.  trans-78.9127.6166.9-68.2-170.1177.8-172.30109
325C76.1Confident88Confident8 Ų872.2 Ų72.25%0.05436%0.363CS..  trans-115.645.7179.6-62.40000110.8R227 W314 C318 N327R227-C325 PolarHBondContact NH1-O 2.99Å; R227-C325 VanDerWaalsContact NH1-O 3.07Å; W314-C325 HydrophobicContact CZ2-CB 4Å; C318-C325 HydrophobicContact CB-CB 4.01Å; C318-C325 WeakPolarHBondContact CB-SG 3.47Å; C318-C325 WeakPolarHBondContact SG-CB 3.15Å; C318-C325 CovalentContact SG-SG 2.02Å; C318-C325 PolarHBondContact SG-SG 3.49Å; C325-N327 PolarHBondContact O-N 3.44Å; C325-N327 VanDerWaalsContact O-N 3.08Å
326D63Low87.3Confident135 Ų13570.6 Ų70.672%0.72235%0.352SS*.  trans-83.432.3-174.6-57.4-27.6000112.2
327N55.4Low86.5Confident75 Ų7572.4 Ų72.440%0.40136%0.364SS..  trans-68.20-178-62.8-45.4000113.4E165 L168 R227 C325E165-N327 PolarHBondContact OE1-ND2 3Å; E165-N327 PolarHBondContact OE2-ND2 3.17Å; L168-N327 HydrophobicContact CD1-CB 4.44Å; L168-N327 WeakPolarHBondContact CD1-ND2 3.2Å; R227-N327 HydrophobicContact CB-CB 4.47Å; C325-N327 PolarHBondContact O-N 3.44Å; C325-N327 VanDerWaalsContact O-N 3.08Å

Retrieved 327 of 327 residues in 446.8 ms (Link to these results)

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