A0A093HBR4_STRCA Loading...

3-ketoacyl-CoA thiolase, mitochondrial

AlphaFold DB , UniProt , Accession A0A093HBR4, Species STRCA (Struthio camelus australis), Gene n/a, Length 397 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
1L34.9Very low76.2Confident200 Ų20062.6 Ų62.6100%1.04736%0.356SS*.  086.50-77.5152.2000107.6Y3L1-Y3 HydrophobicContact CB-CD2 4.46Å; L1-Y3 HydrophobicContact CB-CE2 4.43Å; L1-Y3 HydrophobicContact CD2-CE2 3.93Å
2A33.7Very low78.1Confident96 Ų9657.5 Ų57.579%0.79333%0.327SS*.  trans-97.285171.700000106.8V4A2-V4 PolarHBondContact O-N 2.89Å; A2-V4 VanDerWaalsContact O-N 3.08Å
3Y38.8Very low79.7Confident191 Ų19155.1 Ų55.175%0.74931%0.311SS*.  trans-66.1101.1163.4-75.7-88.9000106.1L1L1-Y3 HydrophobicContact CB-CD2 4.46Å; L1-Y3 HydrophobicContact CB-CE2 4.43Å; L1-Y3 HydrophobicContact CD2-CE2 3.93Å
4V65.2Low81.1Confident117 Ų11751.1 Ų51.171%0.70929%0.288SS*.  trans-92.597.3161.6-172.90000104.3A2A2-V4 PolarHBondContact O-N 2.89Å; A2-V4 VanDerWaalsContact O-N 3.08Å
5A78.1Confident82.3Confident32 Ų3247.7 Ų47.726%0.26427%0.269SS..  trans-56144-178.400000110.5V7 I106A5-V7 PolarHBondContact O-N 3.43Å; A5-I106 HydrophobicContact CB-CG2 4.46Å
6G94.4Very high83.3Confident16 Ų1644.8 Ų44.817%0.16525%0.252CS..  trans-61.8125.4168.800000109.9S264 E265G6-S264 CarbonylContact O-C 3.6Å; G6-E265 PolarHBondContact O-N 2.99Å
7V98.4Very high84.2Confident7 Ų742.1 Ų42.14%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-108.9126.7175.3-179.80000109A5 C103 I106 I262 R278 V279A5-V7 PolarHBondContact O-N 3.43Å; V7-C103 HydrophobicContact CG2-CB 4.47Å; V7-I106 HydrophobicContact CG1-CD1 4.1Å; V7-I106 HydrophobicContact CG2-CB 4.16Å; V7-I106 HydrophobicContact CG2-CG2 3.8Å; V7-I262 HydrophobicContact CG1-CB 4.09Å; V7-I262 HydrophobicContact CG1-CD1 4.1Å; V7-R278 WeakPolarHBondContact O-CA 3.32Å; V7-R278 WeakPolarHBondContact O-CG 3.24Å; V7-V279 HydrophobicContact CB-CB 4.4Å; V7-V279 HydrophobicContact CG1-CB 4.43Å; V7-V279 HydrophobicContact CG1-CG2 4.36Å; V7-V279 PolarHBondContact O-N 2.99Å
8F98.8Very high85Confident23 Ų2339.8 Ų39.810%0.10122%0.224CC..EExtended strand (participates in β ladder)trans-123.2135.8-173.4-63.9-93.1000111.3I262 A263 E265 L268 P275 A277 R278 T396F8-I262 CarbonylContact O-C 3.49Å; F8-I262 WeakPolarHBondContact O-CA 3.39Å; F8-A263 PolarHBondContact N-O 2.98Å; F8-A263 PolarHBondContact O-N 3.14Å; F8-E265 HydrophobicContact CD2-CB 4.49Å; F8-E265 HydrophobicContact CE2-CB 3.83Å; F8-E265 HydrophobicContact CE2-CG 3.97Å; F8-L268 HydrophobicContact CB-CD1 4.14Å; F8-L268 HydrophobicContact CB-CD2 4.14Å; F8-L268 HydrophobicContact CD1-CD1 4.11Å; F8-L268 HydrophobicContact CD2-CD1 3.62Å; F8-L268 HydrophobicContact CD2-CG 4.28Å; F8-L268 HydrophobicContact CE1-CD1 4.41Å; F8-L268 HydrophobicContact CE2-CD1 3.97Å; F8-L268 HydrophobicContact CG-CD1 3.69Å; F8-L268 HydrophobicContact CG-CG 4.48Å; F8-L268 HydrophobicContact CZ-CD1 4.35Å; F8-P275 HydrophobicContact CB-CB 4.05Å; F8-P275 HydrophobicContact CD1-CB 3.83Å; F8-P275 HydrophobicContact CG-CB 4.22Å; F8-A277 CarbonylContact C-O 3.41Å; F8-A277 WeakPolarHBondContact CA-O 3.27Å; F8-R278 HydrophobicContact CD1-CB 3.88Å; F8-R278 HydrophobicContact CD1-CG 4.12Å; F8-R278 HydrophobicContact CE1-CB 3.86Å; F8-R278 HydrophobicContact CE1-CG 3.87Å; F8-R278 HydrophobicContact CZ-CG 4.23Å; F8-T396 HydrophobicContact CD1-CG2 4.11Å; F8-T396 HydrophobicContact CE1-CG2 4.23Å
9I98.9Very high85.8Confident0 Ų038.7 Ų38.70%022%0.221CC..EExtended strand (participates in β ladder)trans-80118.5167.2-62.2168.5000107.5A12 V260 I262 L276 A277 V279 T362 V366 I393I9-A12 HydrophobicContact CG2-CB 4.2Å; I9-V260 HydrophobicContact CB-CG1 4.37Å; I9-V260 HydrophobicContact CD1-CG1 4.24Å; I9-V260 HydrophobicContact CG1-CG1 3.93Å; I9-V260 HydrophobicContact CG2-CG1 3.65Å; I9-I262 HydrophobicContact CG1-CG2 3.9Å; I9-L276 WeakPolarHBondContact O-CB 3.14Å; I9-L276 PolarHBondContact O-N 3.34Å; I9-A277 PolarHBondContact N-O 3.27Å; I9-A277 PolarHBondContact O-N 3.02Å; I9-V279 HydrophobicContact CD1-CG2 4.16Å; I9-V279 HydrophobicContact CG1-CG2 4.04Å; I9-T362 HydrophobicContact CD1-CG2 3.87Å; I9-V366 HydrophobicContact CD1-CG2 3.64Å; I9-V366 HydrophobicContact CG2-CG2 4.19Å; I9-I393 HydrophobicContact CD1-CG2 3.93Å
10V98.8Very high86.4Confident4 Ų443.3 Ų43.32%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-103.6-15.2179.5-610000112.5V46 V261 A263 L268 L273 T274V10-V46 HydrophobicContact CG2-CG2 4.03Å; V10-V261 HydrophobicContact CG2-CB 3.86Å; V10-V261 HydrophobicContact CG2-CG1 3.68Å; V10-V261 WeakPolarHBondContact CG2-O 3.25Å; V10-V261 PolarHBondContact N-O 3.38Å; V10-A263 HydrophobicContact CG1-CB 3.99Å; V10-L268 HydrophobicContact CG1-CD2 3.47Å; V10-L268 VanDerWaalsContact CG1-CD2 3.47Å; V10-L273 HydrophobicContact CB-CB 4.32Å; V10-L273 HydrophobicContact CG1-CB 3.87Å; V10-L273 HydrophobicContact CG1-CD1 4.24Å; V10-L273 HydrophobicContact CG2-CD1 4.41Å; V10-T274 WeakPolarHBondContact CA-O 3.42Å
11S98.8Very high87Confident3 Ų343.1 Ų43.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-159.1145.3172.7-172.80000110.9A40 G44 V260 V261S11-A40 WeakPolarHBondContact CB-O 3.33Å; S11-A40 WeakPolarHBondContact OG-CA 3.3Å; S11-A40 PolarHBondContact OG-O 2.95Å; S11-G44 PolarHBondContact OG-N 2.73Å; S11-V260 CarbonylContact O-C 3.57Å; S11-V260 WeakPolarHBondContact O-CA 3.45Å; S11-V261 PolarHBondContact N-O 3.1Å; S11-V261 PolarHBondContact O-N 2.99Å
12A98.9Very high90Very high1 Ų134.4 Ų34.41%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-147.9121.5174.700000110.5I9 A259 V260 A363 H367I9-A12 HydrophobicContact CG2-CB 4.2Å; A12-A259 CarbonylContact C-O 3.54Å; A12-A259 WeakPolarHBondContact CA-O 3.12Å; A12-V260 HydrophobicContact CB-CG1 4.43Å; A12-V260 HydrophobicContact CB-CG2 4.15Å; A12-A363 HydrophobicContact CB-CB 3.76Å; A12-H367 PolarHBondContact O-NE2 3.27Å
13K98.9Very high93.1Very high26 Ų2633 Ų3311%0.11318%0.182CC..EExtended strand (participates in β ladder)trans-139155.5-177.2-60.5-65.3-65-174.80110.8A39 A40 A43 A201 E202 M203 A204 G258 A259K13-A39 HydrophobicContact CB-CB 4.19Å; K13-A39 HydrophobicContact CG-CB 4.24Å; K13-A40 HydrophobicContact CB-CB 4.17Å; K13-A40 HydrophobicContact CG-CB 4.09Å; K13-A43 HydrophobicContact CD-CB 3.95Å; K13-A43 HydrophobicContact CG-CB 4.13Å; K13-A201 PolarHBondContact NZ-O 2.92Å; K13-E202 CarbonylContact C-O 3.54Å; K13-E202 VanDerWaalsContact CA-O 3.24Å; K13-E202 WeakPolarHBondContact CA-O 3.35Å; K13-E202 VanDerWaalsContact CE-O 3.31Å; K13-E202 WeakPolarHBondContact CE-O 3.39Å; K13-M203 WeakPolarHBondContact CE-O 3.46Å; K13-M203 PolarHBondContact NZ-O 3.46Å; K13-A204 HydrophobicContact CB-CB 4.45Å; K13-G258 CarbonylContact O-C 3.55Å; K13-G258 WeakPolarHBondContact O-CA 3.22Å; K13-A259 PolarHBondContact N-O 3.26Å; K13-A259 PolarHBondContact O-N 2.74Å; K13-A259 VanDerWaalsContact O-O 3.11Å
14R98.9Very high95.9Very high0 Ų023.9 Ų23.90%015%0.146CC..EExtended strand (participates in β ladder)trans-143.8148176.763.382.1168.5-168.5-5.2111.4E202 M203 A204 D220 A257 R360R14-E202 HydrophobicContact CG-CB 4.23Å; R14-E202 HydrophobicContact CG-CG 4.15Å; R14-E202 IonicContact CZ-OE1 3.25Å; R14-E202 PolarHBondContact N-O 3.28Å; R14-E202 IonicContact NE-OE1 3.26Å; R14-E202 PolarHBondContact NE-OE1 3.4Å; R14-E202 IonicContact NH2-OE1 2.68Å; R14-M203 VanDerWaalsContact NH1-CE 3.34Å; R14-M203 CarbonylContact O-C 3.53Å; R14-A204 WeakPolarHBondContact O-CB 3.41Å; R14-A204 PolarHBondContact O-N 2.85Å; R14-D220 IonicContact CZ-OD1 3.8Å; R14-D220 IonicContact CZ-OD2 3.74Å; R14-D220 IonicContact NH1-OD1 3.78Å; R14-D220 PolarHBondContact NH1-OD1 2.69Å; R14-D220 IonicContact NH1-OD2 2.71Å; R14-D220 PolarHBondContact NH1-OD2 3.01Å; R14-D220 IonicContact NH2-OD1 3.11Å; R14-D220 IonicContact NH2-OD2 2.79Å; R14-D220 PolarHBondContact NH2-OD2 3.07Å; R14-A257 CarbonylContact C-O 3.54Å; R14-A257 WeakPolarHBondContact CA-O 3.37Å; R14-R360 HydrophobicContact CG-CG 4.16Å
15T98.9Very high97.5Very high0 Ų022.8 Ų22.80%013%0.132CC..PPolyproline II helixtrans-69.6160.3172.466.60000110.1H35 A36 V206 G256 A257T15-H35 HydrophobicContact CG2-CB 4.28Å; T15-A36 HydrophobicContact CG2-CB 4.17Å; T15-V206 HydrophobicContact CG2-CG2 4.04Å; T15-G256 WeakPolarHBondContact OG1-CA 3.31Å; T15-A257 HydrophobicContact CG2-CB 4.18Å; T15-A257 PolarHBondContact N-O 3.46Å; T15-A257 PolarHBondContact OG1-N 2.7Å; T15-A257 PolarHBondContact OG1-O 3.22Å
16P98.8Very high98.4Very high0 Ų027.1 Ų27.10%015%0.15CC..PPolyproline II helixtrans-53.4147.6154.529.8-38000109.3L24 M203 A204 V206 M217 D220P16-L24 VanDerWaalsContact O-CD1 3.32Å; P16-L24 WeakPolarHBondContact O-CD1 3.33Å; P16-M203 HydrophobicContact CB-SD 4.04Å; P16-M203 VanDerWaalsContact N-SD 3.4Å; P16-A204 WeakPolarHBondContact CD-O 3.4Å; P16-V206 HydrophobicContact CG-CB 4.43Å; P16-V206 HydrophobicContact CG-CG2 4.27Å; P16-M217 HydrophobicContact CB-CE 4Å; P16-M217 HydrophobicContact CB-CG 3.9Å; P16-M217 HydrophobicContact CB-SD 4.07Å; P16-M217 HydrophobicContact CG-CB 4.13Å; P16-M217 HydrophobicContact CG-CE 4.42Å; P16-M217 HydrophobicContact CG-CG 3.69Å; P16-M217 HydrophobicContact CG-SD 3.83Å; P16-D220 WeakPolarHBondContact CA-OD1 3.13Å
17F98.9Very high98.6Very high0 Ų028.3 Ų28.30%015%0.152CC..PPolyproline II helixtrans-91.7123.4171.7-75.44.5000108.8D220 E221 D255 I350 P353 A356 R360F17-D220 PolarHBondContact N-OD1 2.79Å; F17-D220 WeakPolarHBondContact O-CA 2.98Å; F17-E221 PolarHBondContact O-N 2.92Å; F17-D255 CarbonylContact C-O 3.57Å; F17-D255 VanDerWaalsContact CA-O 3.26Å; F17-D255 WeakPolarHBondContact CA-O 3.41Å; F17-I350 WeakPolarHBondContact CB-O 3.17Å; F17-P353 HydrophobicContact CD1-CG 4.01Å; F17-P353 VanDerWaalsContact CD2-CD 3.41Å; F17-P353 HydrophobicContact CD2-CG 3.52Å; F17-P353 HydrophobicContact CE1-CG 3.7Å; F17-P353 HydrophobicContact CE2-CG 3.16Å; F17-P353 HydrophobicContact CG-CG 3.93Å; F17-P353 HydrophobicContact CZ-CG 3.25Å; F17-A356 HydrophobicContact CE1-CB 4.37Å; F17-A356 HydrophobicContact CZ-CB 4.22Å; F17-R360 HydrophobicContact CE1-CB 4.43Å; F17-R360 HydrophobicContact CE2-CB 4.38Å; F17-R360 HydrophobicContact CE2-CG 4.33Å; F17-R360 HydrophobicContact CZ-CB 3.71Å; F17-R360 HydrophobicContact CZ-CG 3.98Å
18G98.8Very high98.6Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-86144.5175.200000110.6C254 D255G18-C254 CarbonylContact O-C 3.49Å; G18-C254 WeakPolarHBondContact O-CA 3.45Å; G18-C254 WeakPolarHBondContact O-CB 3.5Å; G18-C254 PolarHBondContact O-SG 3.08Å; G18-D255 PolarHBondContact N-O 2.71Å; G18-D255 PolarHBondContact O-N 2.94Å
19A98.6Very high98.6Very high20 Ų2028.1 Ų28.117%0.16515%0.153CC..EExtended strand (participates in β ladder)trans-71.5157.5172.700000110.3G21 G22 E221A19-G21 PolarHBondContact O-N 3.22Å; A19-G22 WeakPolarHBondContact O-CA 3.43Å; A19-G22 PolarHBondContact O-N 3.41Å; A19-E221 HydrophobicContact CB-CB 4.28Å; A19-E221 HydrophobicContact CB-CG 3.95Å; A19-E221 PolarHBondContact N-OE2 3.22Å
20Y98.7Very high98.6Very high129 Ų12928.1 Ų28.151%0.50615%0.153SC..THydrogen-bonded Turntrans-54.4122.1173.8-177.6-110.7000112G22 L148 V253Y20-G22 PolarHBondContact O-N 2.83Å; Y20-L148 HydrophobicContact CE2-CD2 4.1Å; Y20-V253 WeakPolarHBondContact CB-O 3.5Å; Y20-V253 HydrophobicContact CD2-CB 4.4Å; Y20-V253 HydrophobicContact CD2-CG1 3.43Å; Y20-V253 VanDerWaalsContact CD2-CG1 3.43Å; Y20-V253 HydrophobicContact CE2-CG1 4.17Å; Y20-V253 HydrophobicContact CG-CB 4.39Å; Y20-V253 HydrophobicContact CG-CG1 3.89Å; Y20-V253 PolarHBondContact N-O 3.35Å
21G98.4Very high98.6Very high41 Ų4129.6 Ų29.642%0.42316%0.161SC..THydrogen-bonded Turntrans70.513.3-174.800000114.8A19 K25 S123A19-G21 PolarHBondContact O-N 3.22Å; G21-K25 WeakPolarHBondContact O-CD 3.43Å; G21-S123 PolarHBondContact N-OG 2.78Å
22G98Very high98.6Very high17 Ų1729.4 Ų29.418%0.17516%0.16CC..SBendtrans-89.1-145.7-17700000114.1A19 Y20 L24 K25 E221A19-G22 WeakPolarHBondContact O-CA 3.43Å; A19-G22 PolarHBondContact O-N 3.41Å; Y20-G22 PolarHBondContact O-N 2.83Å; G22-L24 VanDerWaalsContact C-N 3.29Å; G22-L24 PolarHBondContact O-N 2.97Å; G22-K25 WeakPolarHBondContact O-CG 3.43Å; G22-K25 PolarHBondContact O-N 3.03Å; G22-E221 WeakPolarHBondContact CA-OE2 3.49Å
23L98.3Very high98.6Very high66 Ų6629.7 Ų29.735%0.34616%0.163SC..THydrogen-bonded Turntrans-67.3-22.8-169.3-70.2173.3000114.8V208 T210 M217 E221L23-V208 HydrophobicContact CB-CB 4.44Å; L23-V208 HydrophobicContact CB-CG1 4.27Å; L23-V208 HydrophobicContact CB-CG2 4.49Å; L23-V208 HydrophobicContact CD1-CG2 4.45Å; L23-V208 HydrophobicContact CD2-CG2 4.26Å; L23-T210 HydrophobicContact CD2-CG2 4.37Å; L23-M217 HydrophobicContact CB-CE 4.25Å; L23-M217 HydrophobicContact CB-SD 3.82Å; L23-M217 HydrophobicContact CD1-CE 4.02Å; L23-M217 HydrophobicContact CD1-CG 4.23Å; L23-M217 HydrophobicContact CD1-SD 3.93Å; L23-E221 PolarHBondContact N-OE1 3.41Å; L23-E221 PolarHBondContact N-OE2 3.45Å
24L98.5Very high98.6Very high0 Ų030 Ų300%017%0.165CC..THydrogen-bonded Turntrans-102.51.3-176.3-58.8-177.2000114.1P16 G22 D26 L27 L32 N121 V206 V208 M217 D255P16-L24 VanDerWaalsContact O-CD1 3.32Å; P16-L24 WeakPolarHBondContact O-CD1 3.33Å; G22-L24 VanDerWaalsContact C-N 3.29Å; G22-L24 PolarHBondContact O-N 2.97Å; L24-D26 PolarHBondContact O-N 3.45Å; L24-D26 VanDerWaalsContact O-N 3.08Å; L24-L27 HydrophobicContact CD2-CD1 4.05Å; L24-L27 PolarHBondContact O-N 3.23Å; L24-L32 HydrophobicContact CB-CD2 4.37Å; L24-L32 HydrophobicContact CD1-CD2 3.99Å; L24-L32 HydrophobicContact CD2-CD2 4.21Å; L24-L32 HydrophobicContact CG-CD2 4.43Å; L24-N121 PolarHBondContact O-ND2 2.83Å; L24-V206 HydrophobicContact CD2-CB 4.34Å; L24-V206 HydrophobicContact CD2-CG1 3.99Å; L24-V208 HydrophobicContact CD2-CG1 3.77Å; L24-M217 HydrophobicContact CD1-SD 4.36Å; L24-M217 HydrophobicContact CD2-SD 3.76Å; L24-M217 HydrophobicContact CG-SD 3.92Å; L24-D255 HydrophobicContact CB-CB 4.09Å
25K98.4Very high98.6Very high94 Ų9433.1 Ų33.141%0.40918%0.179SC..THydrogen-bonded Turntrans-58-29.3-172.774-175-178.6-177.40114.5G21 G22 Q124G21-K25 WeakPolarHBondContact O-CD 3.43Å; G22-K25 WeakPolarHBondContact O-CG 3.43Å; G22-K25 PolarHBondContact O-N 3.03Å; K25-Q124 VanDerWaalsContact O-CG 3.32Å; K25-Q124 WeakPolarHBondContact O-CG 3.25Å; K25-Q124 PolarHBondContact O-NE2 2.9Å
26D97.4Very high98.6Very high123 Ų12333.1 Ų33.166%0.65818%0.179SC*.THydrogen-bonded Turntrans-88.6-3.8-176.2-63-36.9000112.6L24L24-D26 PolarHBondContact O-N 3.45Å; L24-D26 VanDerWaalsContact O-N 3.08Å
27L98.2Very high98.6Very high40 Ų4033.2 Ų33.221%0.20918%0.179CC..SBendtrans-99.3128176-61.9-179.1000109.9L24 D31 L32 N121 Q124 V206L24-L27 HydrophobicContact CD2-CD1 4.05Å; L24-L27 PolarHBondContact O-N 3.23Å; L27-D31 HydrophobicContact CB-CB 4.18Å; L27-D31 HydrophobicContact CD2-CB 4.41Å; L27-L32 HydrophobicContact CB-CD2 4.02Å; L27-L32 HydrophobicContact CB-CG 4.18Å; L27-L32 HydrophobicContact CD1-CD2 3.88Å; L27-N121 PolarHBondContact O-ND2 3.33Å; L27-Q124 PolarHBondContact O-NE2 2.94Å; L27-V206 HydrophobicContact CD1-CG1 3.55Å
28T98.8Very high98.6Very high23 Ų2338.1 Ų38.114%0.14120%0.198CC..  trans-65.6162.7176.266.80000111.3I30 D31 L32T28-I30 PolarHBondContact O-N 3.05Å; T28-I30 VanDerWaalsContact O-N 3.15Å; T28-I30 PolarHBondContact OG1-N 2.74Å; T28-D31 WeakPolarHBondContact CB-OD2 3.34Å; T28-D31 PolarHBondContact N-OD2 3.46Å; T28-D31 PolarHBondContact O-N 3.37Å; T28-D31 VanDerWaalsContact O-N 3.07Å; T28-D31 PolarHBondContact OG1-N 2.86Å; T28-D31 VanDerWaalsContact OG1-N 3.09Å; T28-D31 PolarHBondContact OG1-OD1 2.64Å; T28-D31 PolarHBondContact OG1-OD2 3.31Å; T28-L32 WeakPolarHBondContact O-CG 3.33Å; T28-L32 PolarHBondContact O-N 3.21Å; T28-L32 VanDerWaalsContact O-N 3.08Å
29A98.8Very high98.6Very high3 Ų339.3 Ų39.33%0.02521%0.208CC..Hα-helixtrans-56.2-29.9170.500000112A33 I69 A119 N121A29-A33 VanDerWaalsContact O-CB 3.28Å; A29-A33 WeakPolarHBondContact O-CB 3.2Å; A29-A33 PolarHBondContact O-N 2.96Å; A29-I69 HydrophobicContact CB-CD1 3.88Å; A29-A119 HydrophobicContact CB-CB 4.43Å; A29-A119 WeakPolarHBondContact O-CB 3.28Å; A29-N121 HydrophobicContact CB-CB 4.24Å
30I98.8Very high98.6Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-67.9-45.6175.5-46.7-170.8000111T28 L32 A33 E34 D65 I69 H72 V73T28-I30 PolarHBondContact O-N 3.05Å; T28-I30 VanDerWaalsContact O-N 3.15Å; T28-I30 PolarHBondContact OG1-N 2.74Å; I30-L32 VanDerWaalsContact C-N 3.32Å; I30-L32 PolarHBondContact O-N 3.22Å; I30-A33 PolarHBondContact O-N 2.86Å; I30-E34 WeakPolarHBondContact O-CB 3.32Å; I30-E34 PolarHBondContact O-N 2.74Å; I30-D65 HydrophobicContact CD1-CB 4.05Å; I30-D65 WeakPolarHBondContact CD1-O 3.42Å; I30-D65 WeakPolarHBondContact CD1-OD1 3.26Å; I30-D65 VanDerWaalsContact CD1-OD2 3.31Å; I30-D65 WeakPolarHBondContact CD1-OD2 3.48Å; I30-I69 HydrophobicContact CB-CG1 4.34Å; I30-I69 HydrophobicContact CD1-CB 4.22Å; I30-I69 HydrophobicContact CG1-CB 3.87Å; I30-I69 HydrophobicContact CG1-CD1 4.11Å; I30-I69 HydrophobicContact CG1-CG1 3.79Å; I30-H72 HydrophobicContact CD1-CB 4.44Å; I30-H72 HydrophobicContact CG2-CB 3.73Å; I30-V73 HydrophobicContact CG2-CG2 4.01Å
31D98.8Very high98.6Very high35 Ų3532.6 Ų32.619%0.18718%0.178CC..Hα-helixtrans-64.4-38.3179.6-55.5-41.9000111.6L27 T28 H35 R76L27-D31 HydrophobicContact CB-CB 4.18Å; L27-D31 HydrophobicContact CD2-CB 4.41Å; T28-D31 WeakPolarHBondContact CB-OD2 3.34Å; T28-D31 PolarHBondContact N-OD2 3.46Å; T28-D31 PolarHBondContact O-N 3.37Å; T28-D31 VanDerWaalsContact O-N 3.07Å; T28-D31 PolarHBondContact OG1-N 2.86Å; T28-D31 VanDerWaalsContact OG1-N 3.09Å; T28-D31 PolarHBondContact OG1-OD1 2.64Å; T28-D31 PolarHBondContact OG1-OD2 3.31Å; D31-H35 PolarHBondContact O-N 3.11Å; D31-H35 PolarHBondContact O-ND1 3.35Å; D31-R76 IonicContact OD1-CZ 2.67Å; D31-R76 IonicContact OD1-NH1 4Å; D31-R76 PolarHBondContact OD1-NH1 2.94Å
32L98.9Very high98.6Very high0 Ų035.9 Ų35.90%019%0.189CC..Hα-helixtrans-66.9-45.5175-63.6175000111.2L24 L27 T28 I30 E34 H35 A36 N121 D255 A257L24-L32 HydrophobicContact CB-CD2 4.37Å; L24-L32 HydrophobicContact CD1-CD2 3.99Å; L24-L32 HydrophobicContact CD2-CD2 4.21Å; L24-L32 HydrophobicContact CG-CD2 4.43Å; L27-L32 HydrophobicContact CB-CD2 4.02Å; L27-L32 HydrophobicContact CB-CG 4.18Å; L27-L32 HydrophobicContact CD1-CD2 3.88Å; T28-L32 WeakPolarHBondContact O-CG 3.33Å; T28-L32 PolarHBondContact O-N 3.21Å; T28-L32 VanDerWaalsContact O-N 3.08Å; I30-L32 VanDerWaalsContact C-N 3.32Å; I30-L32 PolarHBondContact O-N 3.22Å; L32-E34 VanDerWaalsContact C-N 3.33Å; L32-E34 PolarHBondContact O-N 3.08Å; L32-H35 PolarHBondContact O-N 3.43Å; L32-A36 PolarHBondContact O-N 3.34Å; L32-N121 HydrophobicContact CD1-CB 4.35Å; L32-D255 HydrophobicContact CD1-CB 4.23Å; L32-A257 HydrophobicContact CB-CB 3.81Å; L32-A257 WeakPolarHBondContact O-CB 3.15Å
33A98.9Very high98.7Very high7 Ų737.9 Ų37.96%0.05820%0.204CC..Hα-helixtrans-61.1-41.4175.600000112.1A29 I30 A36 A37 V73 A119A29-A33 VanDerWaalsContact O-CB 3.28Å; A29-A33 WeakPolarHBondContact O-CB 3.2Å; A29-A33 PolarHBondContact O-N 2.96Å; I30-A33 PolarHBondContact O-N 2.86Å; A33-A36 PolarHBondContact O-N 3.04Å; A33-A37 VanDerWaalsContact O-CB 3.22Å; A33-A37 WeakPolarHBondContact O-CB 3.24Å; A33-A37 PolarHBondContact O-N 3.04Å; A33-V73 HydrophobicContact CB-CG2 3.42Å; A33-V73 VanDerWaalsContact CB-CG2 3.42Å; A33-A119 HydrophobicContact CB-CB 3.68Å
34E98.9Very high98.7Very high33 Ų3335.3 Ų35.315%0.15419%0.194CC..Hα-helixtrans-59.1-47.2174.8-175.5-165154.600111.3I30 L32 A36 A37 R38 R76 V77I30-E34 WeakPolarHBondContact O-CB 3.32Å; I30-E34 PolarHBondContact O-N 2.74Å; L32-E34 VanDerWaalsContact C-N 3.33Å; L32-E34 PolarHBondContact O-N 3.08Å; E34-A36 PolarHBondContact O-N 3.3Å; E34-A37 PolarHBondContact O-N 3.1Å; E34-R38 VanDerWaalsContact O-CB 3.28Å; E34-R38 WeakPolarHBondContact O-CB 3.26Å; E34-R38 PolarHBondContact O-N 3.4Å; E34-R38 IonicContact OE1-CZ 3.4Å; E34-R38 IonicContact OE1-NE 3.19Å; E34-R38 IonicContact OE1-NH2 2.82Å; E34-R38 PolarHBondContact OE1-NH2 3.26Å; E34-R76 HydrophobicContact CG-CB 3.9Å; E34-R76 WeakPolarHBondContact OE2-CD 3.5Å; E34-R76 IonicContact OE2-NH1 2.93Å; E34-R76 PolarHBondContact OE2-NH1 3.23Å; E34-V77 HydrophobicContact CG-CG1 3.86Å
35H98.8Very high98.7Very high64 Ų6444.4 Ų44.430%0.29623%0.233SC..Hα-helixtrans-58.7-49177.1-86.276.5000111.8T15 D31 L32 A39 V206T15-H35 HydrophobicContact CG2-CB 4.28Å; D31-H35 PolarHBondContact O-N 3.11Å; D31-H35 PolarHBondContact O-ND1 3.35Å; L32-H35 PolarHBondContact O-N 3.43Å; H35-A39 WeakPolarHBondContact O-CB 3.32Å; H35-A39 PolarHBondContact O-N 3.12Å; H35-V206 HydrophobicContact CB-CG2 4.31Å
36A98.9Very high98.7Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-62.2-46.1178.700000111.7T15 L32 A33 E34 A39 A40 A257 A259T15-A36 HydrophobicContact CG2-CB 4.17Å; L32-A36 PolarHBondContact O-N 3.34Å; A33-A36 PolarHBondContact O-N 3.04Å; E34-A36 PolarHBondContact O-N 3.3Å; A36-A39 PolarHBondContact O-N 3.38Å; A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 2.85Å; A36-A257 HydrophobicContact CB-CB 4.07Å; A36-A259 HydrophobicContact CB-CB 3.92Å
37A98.9Very high98.8Very high2 Ų236.9 Ų36.92%0.01720%0.202CC..Hα-helixtrans-62.8-46.6-18000000112A33 E34 A39 A40 L41 V73 V77 L115 A259A33-A37 VanDerWaalsContact O-CB 3.22Å; A33-A37 WeakPolarHBondContact O-CB 3.24Å; A33-A37 PolarHBondContact O-N 3.04Å; E34-A37 PolarHBondContact O-N 3.1Å; A37-A39 VanDerWaalsContact C-N 3.33Å; A37-A39 PolarHBondContact O-N 3.42Å; A37-A40 PolarHBondContact O-N 2.93Å; A37-A40 VanDerWaalsContact O-N 3.16Å; A37-L41 WeakPolarHBondContact O-CG 3.3Å; A37-L41 PolarHBondContact O-N 3.02Å; A37-V73 HydrophobicContact CB-CG1 3.89Å; A37-V77 HydrophobicContact CB-CG1 3.96Å; A37-L115 HydrophobicContact CB-CD1 4.11Å; A37-L115 HydrophobicContact CB-CD2 3.8Å; A37-A259 HydrophobicContact CB-CB 4.31Å
38R98.9Very high98.8Very high104 Ų10436.7 Ų36.739%0.39220%0.203SC..Hα-helixtrans-59.4-45.2176.1-170.7-179.6-56.3-72.40.4111.1E34 A40 L41 V42 R76 V77E34-R38 VanDerWaalsContact O-CB 3.28Å; E34-R38 WeakPolarHBondContact O-CB 3.26Å; E34-R38 PolarHBondContact O-N 3.4Å; E34-R38 IonicContact OE1-CZ 3.4Å; E34-R38 IonicContact OE1-NE 3.19Å; E34-R38 IonicContact OE1-NH2 2.82Å; E34-R38 PolarHBondContact OE1-NH2 3.26Å; R38-A40 VanDerWaalsContact C-N 3.32Å; R38-A40 PolarHBondContact O-N 2.92Å; R38-L41 PolarHBondContact O-N 2.79Å; R38-V42 WeakPolarHBondContact O-CB 3.34Å; R38-V42 VanDerWaalsContact O-CG2 3.3Å; R38-V42 WeakPolarHBondContact O-CG2 3.22Å; R38-V42 PolarHBondContact O-N 3.29Å; R38-R76 PolarHBondContact NH2-O 3.31Å; R38-V77 HydrophobicContact CB-CG1 4.14Å
39A98.9Very high98.8Very high25 Ų2541.9 Ų41.921%0.20723%0.226CC..Hα-helixtrans-62.3-39.7176.500000112.1K13 H35 A36 A37 A43 A204K13-A39 HydrophobicContact CB-CB 4.19Å; K13-A39 HydrophobicContact CG-CB 4.24Å; H35-A39 WeakPolarHBondContact O-CB 3.32Å; H35-A39 PolarHBondContact O-N 3.12Å; A36-A39 PolarHBondContact O-N 3.38Å; A37-A39 VanDerWaalsContact C-N 3.33Å; A37-A39 PolarHBondContact O-N 3.42Å; A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.16Å; A39-A204 HydrophobicContact CB-CB 3.42Å; A39-A204 VanDerWaalsContact CB-CB 3.42Å
40A98.9Very high98.8Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-66.6-46.3178.100000112S11 K13 A36 A37 R38 V42 A43 G44 A259 V261S11-A40 WeakPolarHBondContact CB-O 3.33Å; S11-A40 WeakPolarHBondContact OG-CA 3.3Å; S11-A40 PolarHBondContact OG-O 2.95Å; K13-A40 HydrophobicContact CB-CB 4.17Å; K13-A40 HydrophobicContact CG-CB 4.09Å; A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 2.85Å; A37-A40 PolarHBondContact O-N 2.93Å; A37-A40 VanDerWaalsContact O-N 3.16Å; R38-A40 VanDerWaalsContact C-N 3.32Å; R38-A40 PolarHBondContact O-N 2.92Å; A40-V42 PolarHBondContact O-N 3.26Å; A40-A43 PolarHBondContact O-N 2.87Å; A40-G44 PolarHBondContact O-N 2.96Å; A40-A259 HydrophobicContact CB-CB 3.89Å; A40-V261 HydrophobicContact CB-CG2 4.16Å
41L98.9Very high98.8Very high7 Ų743.3 Ų43.34%0.03723%0.233CC..Hα-helixtrans-59.2-46.8176.6-68.3171.4000111.2A37 R38 K45 V46 P48 V51 V77 V261A37-L41 WeakPolarHBondContact O-CG 3.3Å; A37-L41 PolarHBondContact O-N 3.02Å; R38-L41 PolarHBondContact O-N 2.79Å; L41-K45 PolarHBondContact O-N 3.43Å; L41-K45 VanDerWaalsContact O-N 3.07Å; L41-V46 HydrophobicContact CD2-CB 3.84Å; L41-V46 HydrophobicContact CD2-CG1 3.82Å; L41-V46 PolarHBondContact O-N 3.3Å; L41-P48 HydrophobicContact CD1-CG 4.32Å; L41-V51 HydrophobicContact CD2-CG2 4.18Å; L41-V77 HydrophobicContact CD1-CB 3.96Å; L41-V77 HydrophobicContact CD1-CG2 3.7Å; L41-V261 HydrophobicContact CD2-CG2 4.22Å
42V98.8Very high98.8Very high110 Ų11044.6 Ų44.667%0.66724%0.24SC*.Hα-helixtrans-63.5-48.7177.7171.10000111.8R38 A40 G44 K45R38-V42 WeakPolarHBondContact O-CB 3.34Å; R38-V42 VanDerWaalsContact O-CG2 3.3Å; R38-V42 WeakPolarHBondContact O-CG2 3.22Å; R38-V42 PolarHBondContact O-N 3.29Å; A40-V42 PolarHBondContact O-N 3.26Å; V42-G44 VanDerWaalsContact C-N 3.32Å; V42-G44 PolarHBondContact O-N 2.86Å; V42-K45 PolarHBondContact O-N 3.49Å; V42-K45 VanDerWaalsContact O-N 3.12Å
43A98.6Very high98.8Very high59 Ų5944.8 Ų44.849%0.48824%0.241SC..Hα-helixtrans-63.7-37.1-177.600000112.7K13 A39 A40 K45K13-A43 HydrophobicContact CD-CB 3.95Å; K13-A43 HydrophobicContact CG-CB 4.13Å; A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.16Å; A40-A43 PolarHBondContact O-N 2.87Å; A43-K45 VanDerWaalsContact C-N 3.32Å
44G98.4Very high98.8Very high12 Ų1244.5 Ų44.512%0.12424%0.239CC..THydrogen-bonded Turntrans-84-2.4176.600000114.6S11 A40 V42 V46S11-G44 PolarHBondContact OG-N 2.73Å; A40-G44 PolarHBondContact O-N 2.96Å; V42-G44 VanDerWaalsContact C-N 3.32Å; V42-G44 PolarHBondContact O-N 2.86Å; G44-V46 PolarHBondContact O-N 3.43Å
45K98.6Very high98.8Very high191 Ų19143 Ų4383%0.8323%0.231SC*.THydrogen-bonded Turntrans50.837.4-169.9-57.8177.5-179.4175.40112.4L41 V42 A43L41-K45 PolarHBondContact O-N 3.43Å; L41-K45 VanDerWaalsContact O-N 3.07Å; V42-K45 PolarHBondContact O-N 3.49Å; V42-K45 VanDerWaalsContact O-N 3.12Å; A43-K45 VanDerWaalsContact C-N 3.32Å
46V98.8Very high98.8Very high6 Ų640.1 Ų40.14%0.03622%0.219CC..  trans-89118.5-179.4-174.30000108.3V10 L41 G44 I50 V51 V113 V261 L273V10-V46 HydrophobicContact CG2-CG2 4.03Å; L41-V46 HydrophobicContact CD2-CB 3.84Å; L41-V46 HydrophobicContact CD2-CG1 3.82Å; L41-V46 PolarHBondContact O-N 3.3Å; G44-V46 PolarHBondContact O-N 3.43Å; V46-I50 HydrophobicContact CG1-CD1 4Å; V46-I50 HydrophobicContact CG1-CG1 4.03Å; V46-V51 HydrophobicContact CG1-CG2 4.38Å; V46-V113 HydrophobicContact CG1-CG1 4.36Å; V46-V261 HydrophobicContact CG1-CG1 4.18Å; V46-V261 HydrophobicContact CG2-CG1 4.16Å; V46-L273 HydrophobicContact CG2-CD2 4.12Å
47S98.7Very high98.8Very high54 Ų5440.1 Ų40.138%0.37822%0.219SC..  trans-65.5134.8171.5-177.30000109.9E49 I50S47-E49 PolarHBondContact O-N 3.41Å; S47-E49 VanDerWaalsContact O-N 3.16Å; S47-E49 PolarHBondContact OG-N 3.33Å; S47-I50 WeakPolarHBondContact O-CG1 3.47Å; S47-I50 PolarHBondContact O-N 2.96Å
48P98.8Very high98.8Very high35 Ų3540.4 Ų40.423%0.22722%0.22CC..G310 helixtrans-56.3-29.1172.2-24.333.5000113.4L41 I50 V51 V77 G78 I79 P80L41-P48 HydrophobicContact CD1-CG 4.32Å; P48-I50 PolarHBondContact O-N 2.88Å; P48-V51 PolarHBondContact O-N 3.33Å; P48-V77 WeakPolarHBondContact CG-O 3.19Å; P48-G78 VanDerWaalsContact CB-C 3.43Å; P48-G78 VanDerWaalsContact CB-O 3.24Å; P48-G78 WeakPolarHBondContact CB-O 3.46Å; P48-I79 HydrophobicContact CB-CG1 3.97Å; P48-P80 WeakPolarHBondContact O-CD 3.4Å
49E98.8Very high98.8Very high132 Ų13237 Ų3762%0.61721%0.21SC*.G310 helixtrans-65.9-19.8-177.9-62.2-62.5149.100114.5S47 P80S47-E49 PolarHBondContact O-N 3.41Å; S47-E49 VanDerWaalsContact O-N 3.16Å; S47-E49 PolarHBondContact OG-N 3.33Å; E49-P80 WeakPolarHBondContact OE2-CG 3.39Å
50I98.6Very high98.7Very high31 Ų3136.5 Ų36.516%0.15920%0.204CC..G310 helixtrans-980.6-178.267.3163.3000112.6V46 S47 P48 V113 H271 L273V46-I50 HydrophobicContact CG1-CD1 4Å; V46-I50 HydrophobicContact CG1-CG1 4.03Å; S47-I50 WeakPolarHBondContact O-CG1 3.47Å; S47-I50 PolarHBondContact O-N 2.96Å; P48-I50 PolarHBondContact O-N 2.88Å; I50-V113 HydrophobicContact CD1-CG2 4.32Å; I50-V113 WeakPolarHBondContact O-CB 3.47Å; I50-H271 HydrophobicContact CD1-CB 3.69Å; I50-L273 HydrophobicContact CD1-CD1 4.39Å; I50-L273 HydrophobicContact CD1-CD2 4.24Å
51V98.9Very high98.7Very high2 Ų242.3 Ų42.31%0.01223%0.231CC..  trans-83.4123.7179.4-179.30000109.5L41 V46 P48 S53 V54 I79 V83 V113 L115L41-V51 HydrophobicContact CD2-CG2 4.18Å; V46-V51 HydrophobicContact CG1-CG2 4.38Å; P48-V51 PolarHBondContact O-N 3.33Å; V51-S53 VanDerWaalsContact CG1-O 3.24Å; V51-S53 WeakPolarHBondContact CG1-O 3.24Å; V51-V54 HydrophobicContact CG1-CG2 4.4Å; V51-I79 HydrophobicContact CB-CD1 3.96Å; V51-I79 HydrophobicContact CB-CG1 4.12Å; V51-I79 HydrophobicContact CB-CG2 4.29Å; V51-I79 HydrophobicContact CG1-CD1 3.79Å; V51-I79 HydrophobicContact CG1-CG1 4.46Å; V51-I79 HydrophobicContact CG1-CG2 4.48Å; V51-I79 HydrophobicContact CG2-CD1 4.1Å; V51-I79 HydrophobicContact CG2-CG1 4.27Å; V51-V83 WeakPolarHBondContact O-CG2 3.35Å; V51-V113 HydrophobicContact CG2-CG1 4.32Å; V51-L115 HydrophobicContact CG1-CB 4.02Å
52D98.9Very high98.7Very high63 Ų6342.4 Ų42.434%0.33723%0.232SC..  trans-92.5-21.4-177-55.6-59000113.1V83 P84 E112 V113D52-V83 WeakPolarHBondContact O-CG1 3.44Å; D52-P84 WeakPolarHBondContact O-CD 3.41Å; D52-E112 WeakPolarHBondContact OD2-CA 3.48Å; D52-E112 WeakPolarHBondContact OD2-CB 3.23Å; D52-E112 PolarHBondContact OD2-N 2.82Å; D52-V113 PolarHBondContact N-O 3.06Å; D52-V113 PolarHBondContact OD2-N 3.09Å
53S98.9Very high98.7Very high3 Ų338.3 Ų38.32%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-155.6148.1-177.4178.90000112.2V51 E105 V114 L115V51-S53 VanDerWaalsContact CG1-O 3.24Å; V51-S53 WeakPolarHBondContact CG1-O 3.24Å; S53-E105 WeakPolarHBondContact CB-OE2 3.49Å; S53-E105 PolarHBondContact OG-OE1 3.12Å; S53-E105 PolarHBondContact OG-OE2 3.4Å; S53-V114 WeakPolarHBondContact O-CA 3.49Å; S53-V114 WeakPolarHBondContact O-CG1 3.24Å; S53-L115 PolarHBondContact O-N 2.64Å
54V98.9Very high98.6Very high2 Ų242.9 Ų42.91%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-122119176.7-177.90000109.8V51 V56 A70 I79 V83 P84 A85 L86 L115V51-V54 HydrophobicContact CG1-CG2 4.4Å; V54-V56 HydrophobicContact CG1-CG2 4.19Å; V54-A70 WeakPolarHBondContact CG1-O 3.29Å; V54-I79 HydrophobicContact CG2-CD1 3.53Å; V54-I79 HydrophobicContact CG2-CG2 4.25Å; V54-V83 HydrophobicContact CG2-CG1 4.41Å; V54-P84 PolarHBondContact N-O 3.37Å; V54-A85 HydrophobicContact CB-CB 3.99Å; V54-A85 CarbonylContact O-C 3.56Å; V54-A85 WeakPolarHBondContact O-CA 3.25Å; V54-L86 PolarHBondContact O-N 3.06Å; V54-L115 WeakPolarHBondContact CA-O 3.33Å; V54-L115 HydrophobicContact CG1-CD2 4.09Å; V54-L115 HydrophobicContact CG1-CG 4.42Å; V54-L115 HydrophobicContact CG2-CB 4.37Å; V54-L115 HydrophobicContact CG2-CD2 4.39Å
55I99Very high98.6Very high0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-125116.7-178.5-47.6178.3000110L86 I88 S98 N101 E105 V114 L115 C116 G117I55-L86 WeakPolarHBondContact CA-O 3.29Å; I55-L86 HydrophobicContact CG2-CB 4.5Å; I55-L86 HydrophobicContact CG2-CD2 4.49Å; I55-I88 HydrophobicContact CG2-CG1 4.21Å; I55-I88 HydrophobicContact CG2-CG2 4.4Å; I55-S98 WeakPolarHBondContact O-CB 3.18Å; I55-N101 HydrophobicContact CD1-CB 3.72Å; I55-N101 HydrophobicContact CG2-CB 4.29Å; I55-E105 WeakPolarHBondContact CD1-OE1 3.39Å; I55-V114 HydrophobicContact CD1-CG1 3.96Å; I55-V114 HydrophobicContact CG1-CG1 4.02Å; I55-L115 PolarHBondContact N-O 3.49Å; I55-C116 CarbonylContact O-C 3.36Å; I55-C116 WeakPolarHBondContact O-CA 3.5Å; I55-G117 PolarHBondContact O-N 3.37Å
56V98.9Very high98.6Very high5 Ų535 Ų353%0.0320%0.195CC..EExtended strand (participates in β ladder)trans-120.4124.7-177.8-176.90000111V54 I69 A70 L86 T87 I88V54-V56 HydrophobicContact CG1-CG2 4.19Å; V56-I69 HydrophobicContact CG1-CD1 4.24Å; V56-I69 HydrophobicContact CG1-CG1 4.2Å; V56-A70 HydrophobicContact CB-CB 3.92Å; V56-A70 HydrophobicContact CG2-CB 3.84Å; V56-L86 PolarHBondContact N-O 2.84Å; V56-T87 VanDerWaalsContact O-CA 3.3Å; V56-T87 WeakPolarHBondContact O-CA 3.36Å; V56-I88 PolarHBondContact O-N 3.46Å
57G98.9Very high98.6Very high0 Ų039.5 Ų39.50%022%0.218CC..EExtended strand (participates in β ladder)trans-78.1121.4168.200000111.7I88 G117 G118 A119G57-I88 WeakPolarHBondContact CA-O 3.38Å; G57-G117 PolarHBondContact N-O 2.9Å; G57-G118 CarbonylContact O-C 3.56Å; G57-G118 VanDerWaalsContact O-CA 3.25Å; G57-G118 WeakPolarHBondContact O-CA 3.17Å; G57-A119 PolarHBondContact O-N 2.71Å
58N98.9Very high98.6Very high7 Ų743 Ų434%0.03722%0.223CC..  trans-144131.9172.6174.4-113.8000109.3M60 I69 T87 I88 A119 E120N58-M60 PolarHBondContact ND2-O 2.84Å; N58-M60 PolarHBondContact OD1-O 3.31Å; N58-I69 HydrophobicContact CB-CD1 4.12Å; N58-I69 HydrophobicContact CB-CG2 4.17Å; N58-T87 HydrophobicContact CB-CG2 4.14Å; N58-I88 PolarHBondContact N-O 3.31Å; N58-A119 PolarHBondContact ND2-O 2.67Å; N58-E120 PolarHBondContact ND2-OE1 3.24Å
59V98.7Very high98.6Very high33 Ų3341.3 Ų41.320%0.221%0.212CC..  trans-97.9-53-172.8-174.40000110.8L91 E120 L354V59-L91 HydrophobicContact CG1-CB 4.4Å; V59-L91 HydrophobicContact CG1-CG 4.06Å; V59-L91 WeakPolarHBondContact CG2-O 3.37Å; V59-E120 WeakPolarHBondContact CB-OE2 3.38Å; V59-E120 WeakPolarHBondContact CG2-OE2 3.31Å; V59-E120 PolarHBondContact N-OE2 3.07Å; V59-L354 HydrophobicContact CB-CB 4.08Å; V59-L354 HydrophobicContact CB-CD1 4.21Å; V59-L354 HydrophobicContact CG1-CD1 4.06Å; V59-L354 HydrophobicContact CG2-CB 3.75Å
60M97.3Very high98.6Very high14 Ų1435 Ų357%0.06918%0.184CC..SBendtrans-102.8125.6-178.9-64.1-167.5-46.300110.3N58 S62 E120 M122 S125 L148 L354N58-M60 PolarHBondContact ND2-O 2.84Å; N58-M60 PolarHBondContact OD1-O 3.31Å; M60-S62 VanDerWaalsContact C-N 3.33Å; M60-S62 PolarHBondContact O-N 3.24Å; M60-E120 PolarHBondContact N-OE1 3.38Å; M60-M122 HydrophobicContact CE-CB 4.05Å; M60-M122 HydrophobicContact CE-CE 4.39Å; M60-M122 HydrophobicContact CE-CG 3.89Å; M60-S125 WeakPolarHBondContact CE-OG 3.47Å; M60-L148 HydrophobicContact CE-CB 4.45Å; M60-L148 HydrophobicContact CE-CD1 3.88Å; M60-L148 HydrophobicContact SD-CB 4.25Å; M60-L148 HydrophobicContact SD-CD1 3.84Å; M60-L354 HydrophobicContact CG-CD1 4.43Å
61Q98.4Very high98.6Very high123 Ų12337.3 Ų37.358%0.57519%0.19SC*.  trans-77.586.1172.9-68.3177.5-5.600109.3A66Q61-A66 HydrophobicContact CB-CB 3.74Å; Q61-A66 HydrophobicContact CG-CB 4.06Å
62S98.4Very high98.6Very high9 Ų939.8 Ų39.86%0.06320%0.201CC..  trans-99.55.7-171.756.30000115.2M60 N121 Q124M60-S62 VanDerWaalsContact C-N 3.33Å; M60-S62 PolarHBondContact O-N 3.24Å; S62-N121 VanDerWaalsContact CB-O 3.26Å; S62-N121 WeakPolarHBondContact CB-O 3.36Å; S62-N121 PolarHBondContact OG-O 3.29Å; S62-Q124 WeakPolarHBondContact O-CB 3.18Å
63S98.4Very high98.6Very high24 Ų2436.9 Ų36.917%0.16819%0.186CC..SBendtrans-134.8161.8174.371.60000111.6D65 A66S63-D65 WeakPolarHBondContact CB-OD1 3.39Å; S63-D65 PolarHBondContact O-N 2.94Å; S63-D65 PolarHBondContact OG-OD1 3.31Å; S63-A66 VanDerWaalsContact O-CB 3.22Å; S63-A66 WeakPolarHBondContact O-CB 3.5Å; S63-A66 PolarHBondContact O-N 2.85Å; S63-A66 VanDerWaalsContact O-N 3.12Å; S63-A66 PolarHBondContact OG-N 2.83Å
64V98.1Very high98.6Very high154 Ų15436.9 Ų36.993%0.93319%0.187SC*.THydrogen-bonded Turntrans-61.8-24.1-179.6-64.20000113.5
65D98.1Very high98.6Very high33 Ų3340.2 Ų40.218%0.17620%0.204CC..THydrogen-bonded Turntrans-106.49.118059.9-14.1000113.3I30 S63 I67 Y68 H72 R76I30-D65 HydrophobicContact CD1-CB 4.05Å; I30-D65 WeakPolarHBondContact CD1-O 3.42Å; I30-D65 WeakPolarHBondContact CD1-OD1 3.26Å; I30-D65 VanDerWaalsContact CD1-OD2 3.31Å; I30-D65 WeakPolarHBondContact CD1-OD2 3.48Å; S63-D65 WeakPolarHBondContact CB-OD1 3.39Å; S63-D65 PolarHBondContact O-N 2.94Å; S63-D65 PolarHBondContact OG-OD1 3.31Å; D65-I67 PolarHBondContact O-N 2.91Å; D65-I67 VanDerWaalsContact O-N 3.12Å; D65-Y68 PolarHBondContact O-N 2.98Å; D65-H72 IonicContact OD2-ND1 3.93Å; D65-R76 IonicContact OD2-NH2 3.21Å
66A98.4Very high98.6Very high5 Ų544.4 Ų44.44%0.04122%0.22CC..G310 helixtrans-57.6-31.4-173.500000114.2Q61 S63 Y68 I69Q61-A66 HydrophobicContact CB-CB 3.74Å; Q61-A66 HydrophobicContact CG-CB 4.06Å; S63-A66 VanDerWaalsContact O-CB 3.22Å; S63-A66 WeakPolarHBondContact O-CB 3.5Å; S63-A66 PolarHBondContact O-N 2.85Å; S63-A66 VanDerWaalsContact O-N 3.12Å; S63-A66 PolarHBondContact OG-N 2.83Å; A66-Y68 PolarHBondContact O-N 3.28Å; A66-Y68 VanDerWaalsContact O-N 3.1Å; A66-I69 WeakPolarHBondContact O-CG2 3.39Å; A66-I69 PolarHBondContact O-N 3.34Å
67I98.6Very high98.6Very high100 Ų10044.5 Ų44.551%0.51322%0.22SC..G310 helixtrans-64.3-14.8177.169.4174.9000113.2D65D65-I67 PolarHBondContact O-N 2.91Å; D65-I67 VanDerWaalsContact O-N 3.12Å
68Y98.8Very high98.6Very high127 Ų12746.4 Ų46.450%0.49824%0.24SC..G310 helixtrans-108.69-179.9-57.2-72000113.2D65 A66 A70 R71 H72D65-Y68 PolarHBondContact O-N 2.98Å; A66-Y68 PolarHBondContact O-N 3.28Å; A66-Y68 VanDerWaalsContact O-N 3.1Å; Y68-A70 PolarHBondContact O-N 2.97Å; Y68-R71 PolarHBondContact O-N 3.15Å; Y68-H72 AromaticContact CG-NE2 3.99Å; Y68-H72 PolarHBondContact O-N 3.31Å
69I98.8Very high98.6Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-47.9-54.8-170.1179.4162000113.9A29 I30 V56 N58 A66 R71 H72 V73 T87 A119A29-I69 HydrophobicContact CB-CD1 3.88Å; I30-I69 HydrophobicContact CB-CG1 4.34Å; I30-I69 HydrophobicContact CD1-CB 4.22Å; I30-I69 HydrophobicContact CG1-CB 3.87Å; I30-I69 HydrophobicContact CG1-CD1 4.11Å; I30-I69 HydrophobicContact CG1-CG1 3.79Å; V56-I69 HydrophobicContact CG1-CD1 4.24Å; V56-I69 HydrophobicContact CG1-CG1 4.2Å; N58-I69 HydrophobicContact CB-CD1 4.12Å; N58-I69 HydrophobicContact CB-CG2 4.17Å; A66-I69 WeakPolarHBondContact O-CG2 3.39Å; A66-I69 PolarHBondContact O-N 3.34Å; I69-R71 VanDerWaalsContact C-N 3.31Å; I69-R71 PolarHBondContact O-N 3.33Å; I69-H72 PolarHBondContact O-N 3.12Å; I69-V73 HydrophobicContact CG1-CG2 4.31Å; I69-V73 WeakPolarHBondContact O-CB 3.25Å; I69-V73 WeakPolarHBondContact O-CG2 3.42Å; I69-V73 PolarHBondContact O-N 3.04Å; I69-T87 HydrophobicContact CG2-CG2 3.5Å; I69-T87 VanDerWaalsContact CG2-CG2 3.5Å; I69-T87 WeakPolarHBondContact CG2-OG1 3.24Å; I69-A119 HydrophobicContact CD1-CB 4.22Å
70A98.9Very high98.6Very high1 Ų146.2 Ų46.21%0.00824%0.24CC..Hα-helixtrans-62.1-41-177.700000112V54 V56 Y68 V73 G74 A85 L86 T87V54-A70 WeakPolarHBondContact CG1-O 3.29Å; V56-A70 HydrophobicContact CB-CB 3.92Å; V56-A70 HydrophobicContact CG2-CB 3.84Å; Y68-A70 PolarHBondContact O-N 2.97Å; A70-V73 PolarHBondContact O-N 3.32Å; A70-G74 PolarHBondContact O-N 3.43Å; A70-A85 HydrophobicContact CB-CB 3.95Å; A70-L86 VanDerWaalsContact CB-C 3.47Å; A70-L86 VanDerWaalsContact CB-O 3.22Å; A70-L86 WeakPolarHBondContact CB-O 3.42Å; A70-T87 VanDerWaalsContact CB-OG1 3.3Å; A70-T87 WeakPolarHBondContact CB-OG1 3.39Å; A70-T87 PolarHBondContact N-OG1 2.94Å
71R98.9Very high98.7Very high78 Ų7850.5 Ų50.529%0.29427%0.266SS..Hα-helixtrans-67.8-45.3-179.4-17856.3175.3176.3-0.9111.9Y68 I69 G74 L75 V81 V83 A85Y68-R71 PolarHBondContact O-N 3.15Å; I69-R71 VanDerWaalsContact C-N 3.31Å; I69-R71 PolarHBondContact O-N 3.33Å; R71-G74 PolarHBondContact O-N 2.91Å; R71-L75 HydrophobicContact CG-CD1 4.17Å; R71-L75 WeakPolarHBondContact O-CG 3.17Å; R71-L75 PolarHBondContact O-N 3.1Å; R71-L75 VanDerWaalsContact O-N 3.1Å; R71-V81 VanDerWaalsContact CZ-O 3.28Å; R71-V81 PolarHBondContact NH1-O 3.15Å; R71-V81 PolarHBondContact NH2-O 3.31Å; R71-V83 PolarHBondContact NH1-O 3.12Å; R71-A85 VanDerWaalsContact CA-CB 3.49Å; R71-A85 HydrophobicContact CB-CB 3.99Å
72H98.9Very high98.7Very high54 Ų5450.3 Ų50.325%0.2528%0.275CS..Hα-helixtrans-64.2-41.7177.4-74.7-174.4000111.2I30 D65 Y68 I69 G74 L75 R76I30-H72 HydrophobicContact CD1-CB 4.44Å; I30-H72 HydrophobicContact CG2-CB 3.73Å; D65-H72 IonicContact OD2-ND1 3.93Å; Y68-H72 AromaticContact CG-NE2 3.99Å; Y68-H72 PolarHBondContact O-N 3.31Å; I69-H72 PolarHBondContact O-N 3.12Å; H72-G74 PolarHBondContact O-N 3.17Å; H72-L75 PolarHBondContact O-N 3.39Å; H72-R76 VanDerWaalsContact O-CB 3.31Å; H72-R76 WeakPolarHBondContact O-CB 3.32Å; H72-R76 WeakPolarHBondContact O-CG 3.16Å; H72-R76 PolarHBondContact O-N 3.07Å
73V98.9Very high98.7Very high2 Ų250.8 Ų50.81%0.01228%0.278CS..Hα-helixtrans-57-52.8174.9169.90000110.8I30 A33 A37 I69 A70 L75 R76 V77 L115I30-V73 HydrophobicContact CG2-CG2 4.01Å; A33-V73 HydrophobicContact CB-CG2 3.42Å; A33-V73 VanDerWaalsContact CB-CG2 3.42Å; A37-V73 HydrophobicContact CB-CG1 3.89Å; I69-V73 HydrophobicContact CG1-CG2 4.31Å; I69-V73 WeakPolarHBondContact O-CB 3.25Å; I69-V73 WeakPolarHBondContact O-CG2 3.42Å; I69-V73 PolarHBondContact O-N 3.04Å; A70-V73 PolarHBondContact O-N 3.32Å; V73-L75 PolarHBondContact O-N 2.85Å; V73-R76 PolarHBondContact O-N 3.5Å; V73-V77 WeakPolarHBondContact O-CG2 3.41Å; V73-V77 PolarHBondContact O-N 3.18Å; V73-L115 HydrophobicContact CG1-CD2 4.47Å
74G98.9Very high98.7Very high4 Ų453.5 Ų53.54%0.04130%0.295CS..Hα-helixtrans-54.9-51.5-179.900000112.5A70 R71 H72 R76 V77 G78 I79A70-G74 PolarHBondContact O-N 3.43Å; R71-G74 PolarHBondContact O-N 2.91Å; H72-G74 PolarHBondContact O-N 3.17Å; G74-R76 PolarHBondContact O-N 3.25Å; G74-V77 WeakPolarHBondContact O-CG2 3.22Å; G74-V77 PolarHBondContact O-N 2.92Å; G74-G78 PolarHBondContact O-N 3.41Å; G74-I79 WeakPolarHBondContact O-CB 3.46Å; G74-I79 PolarHBondContact O-N 3.5Å
75L98.9Very high98.8Very high71 Ų7147.9 Ų47.937%0.37227%0.265SS..Hα-helixtrans-61.8-42.3179.3-66.5174.2000112.6R71 H72 V73 V77 G78 V81R71-L75 HydrophobicContact CG-CD1 4.17Å; R71-L75 WeakPolarHBondContact O-CG 3.17Å; R71-L75 PolarHBondContact O-N 3.1Å; R71-L75 VanDerWaalsContact O-N 3.1Å; H72-L75 PolarHBondContact O-N 3.39Å; V73-L75 PolarHBondContact O-N 2.85Å; L75-V77 VanDerWaalsContact C-N 3.34Å; L75-V77 PolarHBondContact O-N 3.43Å; L75-G78 PolarHBondContact O-N 3.45Å; L75-G78 VanDerWaalsContact O-N 3.15Å; L75-V81 HydrophobicContact CD2-CG2 4.05Å
76R98.9Very high98.8Very high88 Ų8850.1 Ų50.133%0.33228%0.276SS..Hα-helixtrans-70.6-28.1-177.6-70.3-178.3-167.5-175.51.3113.2D31 E34 R38 D65 H72 V73 G74 G78D31-R76 IonicContact OD1-CZ 2.67Å; D31-R76 IonicContact OD1-NH1 4Å; D31-R76 PolarHBondContact OD1-NH1 2.94Å; E34-R76 HydrophobicContact CG-CB 3.9Å; E34-R76 WeakPolarHBondContact OE2-CD 3.5Å; E34-R76 IonicContact OE2-NH1 2.93Å; E34-R76 PolarHBondContact OE2-NH1 3.23Å; R38-R76 PolarHBondContact NH2-O 3.31Å; D65-R76 IonicContact OD2-NH2 3.21Å; H72-R76 VanDerWaalsContact O-CB 3.31Å; H72-R76 WeakPolarHBondContact O-CB 3.32Å; H72-R76 WeakPolarHBondContact O-CG 3.16Å; H72-R76 PolarHBondContact O-N 3.07Å; V73-R76 PolarHBondContact O-N 3.5Å; G74-R76 PolarHBondContact O-N 3.25Å; R76-G78 VanDerWaalsContact C-N 3.28Å
77V98.8Very high98.8Very high7 Ų752.2 Ų52.24%0.04229%0.289CS..THydrogen-bonded Turntrans-87.84.3173.6-54.30000113.4E34 A37 R38 L41 P48 V73 G74 L75 I79 L115E34-V77 HydrophobicContact CG-CG1 3.86Å; A37-V77 HydrophobicContact CB-CG1 3.96Å; R38-V77 HydrophobicContact CB-CG1 4.14Å; L41-V77 HydrophobicContact CD1-CB 3.96Å; L41-V77 HydrophobicContact CD1-CG2 3.7Å; P48-V77 WeakPolarHBondContact CG-O 3.19Å; V73-V77 WeakPolarHBondContact O-CG2 3.41Å; V73-V77 PolarHBondContact O-N 3.18Å; G74-V77 WeakPolarHBondContact O-CG2 3.22Å; G74-V77 PolarHBondContact O-N 2.92Å; L75-V77 VanDerWaalsContact C-N 3.34Å; L75-V77 PolarHBondContact O-N 3.43Å; V77-I79 HydrophobicContact CG2-CD1 3.87Å; V77-I79 HydrophobicContact CG2-CG1 3.97Å; V77-L115 HydrophobicContact CG2-CD2 4.38Å
78G98.8Very high98.9Very high40 Ų4048.6 Ų48.641%0.41227%0.271SS..THydrogen-bonded Turntrans86.813.8173.600000114.8P48 G74 L75 R76P48-G78 VanDerWaalsContact CB-C 3.43Å; P48-G78 VanDerWaalsContact CB-O 3.24Å; P48-G78 WeakPolarHBondContact CB-O 3.46Å; G74-G78 PolarHBondContact O-N 3.41Å; L75-G78 PolarHBondContact O-N 3.45Å; L75-G78 VanDerWaalsContact O-N 3.15Å; R76-G78 VanDerWaalsContact C-N 3.28Å
79I98.9Very high98.9Very high7 Ų746 Ų464%0.03627%0.271CS..  trans-67.3136.9173.4-67.9170.1000108.6P48 V51 V54 G74 V77 V83 L115P48-I79 HydrophobicContact CB-CG1 3.97Å; V51-I79 HydrophobicContact CB-CD1 3.96Å; V51-I79 HydrophobicContact CB-CG1 4.12Å; V51-I79 HydrophobicContact CB-CG2 4.29Å; V51-I79 HydrophobicContact CG1-CD1 3.79Å; V51-I79 HydrophobicContact CG1-CG1 4.46Å; V51-I79 HydrophobicContact CG1-CG2 4.48Å; V51-I79 HydrophobicContact CG2-CD1 4.1Å; V51-I79 HydrophobicContact CG2-CG1 4.27Å; V54-I79 HydrophobicContact CG2-CD1 3.53Å; V54-I79 HydrophobicContact CG2-CG2 4.25Å; G74-I79 WeakPolarHBondContact O-CB 3.46Å; G74-I79 PolarHBondContact O-N 3.5Å; V77-I79 HydrophobicContact CG2-CD1 3.87Å; V77-I79 HydrophobicContact CG2-CG1 3.97Å; I79-V83 HydrophobicContact CG2-CB 3.62Å; I79-V83 HydrophobicContact CG2-CG1 3.52Å; I79-V83 HydrophobicContact CG2-CG2 3.86Å; I79-L115 HydrophobicContact CD1-CB 4.32Å; I79-L115 HydrophobicContact CD1-CD2 3.7Å
80P98.8Very high98.8Very high30 Ų3049.2 Ų49.220%0.19528%0.283CS..  trans-55.7145.9-172.7-30.737.5000114.7P48 E49 P82 V83P48-P80 WeakPolarHBondContact O-CD 3.4Å; E49-P80 WeakPolarHBondContact OE2-CG 3.39Å; P80-P82 VanDerWaalsContact C-CD 3.43Å; P80-P82 VanDerWaalsContact C-N 3.3Å; P80-V83 HydrophobicContact CB-CG2 4.13Å; P80-V83 HydrophobicContact CG-CG2 4.44Å; P80-V83 WeakPolarHBondContact O-CB 3.31Å; P80-V83 PolarHBondContact O-N 3.04Å
81V98.8Very high98.8Very high103 Ų10352.4 Ų52.462%0.62430%0.299SS*.THydrogen-bonded Turntrans-52.9-39.5178.6177.30000113.2R71 L75 V83R71-V81 VanDerWaalsContact CZ-O 3.28Å; R71-V81 PolarHBondContact NH1-O 3.15Å; R71-V81 PolarHBondContact NH2-O 3.31Å; L75-V81 HydrophobicContact CD2-CG2 4.05Å; V81-V83 PolarHBondContact O-N 3.46Å
82P98.6Very high98.8Very high119 Ų11949.4 Ų49.477%0.77329%0.29SS*.THydrogen-bonded Turntrans-65.7-19.3178.3-24.636.6000115.6P80P80-P82 VanDerWaalsContact C-CD 3.43Å; P80-P82 VanDerWaalsContact C-N 3.3Å
83V98.9Very high98.8Very high19 Ų1946.8 Ų46.812%0.11528%0.278CS..SBendtrans-71.1125.7-175.5170.40000110.8V51 D52 V54 R71 I79 P80 V81V51-V83 WeakPolarHBondContact O-CG2 3.35Å; D52-V83 WeakPolarHBondContact O-CG1 3.44Å; V54-V83 HydrophobicContact CG2-CG1 4.41Å; R71-V83 PolarHBondContact NH1-O 3.12Å; I79-V83 HydrophobicContact CG2-CB 3.62Å; I79-V83 HydrophobicContact CG2-CG1 3.52Å; I79-V83 HydrophobicContact CG2-CG2 3.86Å; P80-V83 HydrophobicContact CB-CG2 4.13Å; P80-V83 HydrophobicContact CG-CG2 4.44Å; P80-V83 WeakPolarHBondContact O-CB 3.31Å; P80-V83 PolarHBondContact O-N 3.04Å; V81-V83 PolarHBondContact O-N 3.46Å
84P98.8Very high98.8Very high81 Ų8146.7 Ų46.753%0.52628%0.278SS..  trans-68.9160.9179.430.4-37.2000112.4D52 V54D52-P84 WeakPolarHBondContact O-CD 3.41Å; V54-P84 PolarHBondContact N-O 3.37Å
85A98.9Very high98.8Very high37 Ų3746.5 Ų46.531%0.30628%0.276SS..EExtended strand (participates in β ladder)trans-141.6139.1174.800000111.3V54 A70 R71V54-A85 HydrophobicContact CB-CB 3.99Å; V54-A85 CarbonylContact O-C 3.56Å; V54-A85 WeakPolarHBondContact O-CA 3.25Å; A70-A85 HydrophobicContact CB-CB 3.95Å; R71-A85 VanDerWaalsContact CA-CB 3.49Å; R71-A85 HydrophobicContact CB-CB 3.99Å
86L98.9Very high98.8Very high79 Ų7943.1 Ų43.141%0.41426%0.258SS..EExtended strand (participates in β ladder)trans-127.4130.3-176.2-179.864.5000110.9V54 I55 V56 A70 I88V54-L86 PolarHBondContact O-N 3.06Å; I55-L86 WeakPolarHBondContact CA-O 3.29Å; I55-L86 HydrophobicContact CG2-CB 4.5Å; I55-L86 HydrophobicContact CG2-CD2 4.49Å; V56-L86 PolarHBondContact N-O 2.84Å; A70-L86 VanDerWaalsContact CB-C 3.47Å; A70-L86 VanDerWaalsContact CB-O 3.22Å; A70-L86 WeakPolarHBondContact CB-O 3.42Å; L86-I88 HydrophobicContact CD1-CG2 4.47Å; L86-I88 HydrophobicContact CD2-CG2 3.69Å; L86-I88 HydrophobicContact CG-CG2 3.77Å
87T98.9Very high98.8Very high50 Ų5039.5 Ų39.531%0.30725%0.245SC..EExtended strand (participates in β ladder)trans-101.3128.3167.3-590000109.4V56 N58 I69 A70V56-T87 VanDerWaalsContact O-CA 3.3Å; V56-T87 WeakPolarHBondContact O-CA 3.36Å; N58-T87 HydrophobicContact CB-CG2 4.14Å; I69-T87 HydrophobicContact CG2-CG2 3.5Å; I69-T87 VanDerWaalsContact CG2-CG2 3.5Å; I69-T87 WeakPolarHBondContact CG2-OG1 3.24Å; A70-T87 VanDerWaalsContact CB-OG1 3.3Å; A70-T87 WeakPolarHBondContact CB-OG1 3.39Å; A70-T87 PolarHBondContact N-OG1 2.94Å
88I98.9Very high98.8Very high24 Ų2439.2 Ų39.212%0.12324%0.243CC..EExtended strand (participates in β ladder)trans-119.1155.6177.960.283.5000110.9I55 V56 G57 N58 L86 S94 Q97I55-I88 HydrophobicContact CG2-CG1 4.21Å; I55-I88 HydrophobicContact CG2-CG2 4.4Å; V56-I88 PolarHBondContact O-N 3.46Å; G57-I88 WeakPolarHBondContact CA-O 3.38Å; N58-I88 PolarHBondContact N-O 3.31Å; L86-I88 HydrophobicContact CD1-CG2 4.47Å; L86-I88 HydrophobicContact CD2-CG2 3.69Å; L86-I88 HydrophobicContact CG-CG2 3.77Å; I88-S94 WeakPolarHBondContact CD1-O 3.45Å; I88-Q97 HydrophobicContact CD1-CB 3.76Å; I88-Q97 HydrophobicContact CD1-CG 3.74Å; I88-Q97 HydrophobicContact CG1-CG 4.42Å
89S98.8Very high98.8Very high72 Ų7237.3 Ų37.350%0.50322%0.223SC..  trans-135.2116.2170.6-178.30000109.9
90R98.8Very high98.8Very high68 Ų6837.1 Ų37.126%0.25722%0.222SC..  trans-124.645.9162.2-162.6-167.1-72.2-81.4-1.3108.8C92 G93 S94 Q97 I383R90-C92 PolarHBondContact O-N 2.75Å; R90-G93 WeakPolarHBondContact O-CA 3.37Å; R90-G93 PolarHBondContact O-N 2.86Å; R90-S94 PolarHBondContact N-OG 2.77Å; R90-Q97 HydrophobicContact CB-CB 4.22Å; R90-Q97 HydrophobicContact CB-CG 4.24Å; R90-I383 HydrophobicContact CG-CD1 3.86Å; R90-I383 HydrophobicContact CG-CG2 4.4Å; R90-I383 WeakPolarHBondContact O-CG2 3.42Å
91L98.5Very high98.8Very high67 Ų6737.3 Ų37.335%0.35122%0.222SC..G310 helixtrans43.1-128.6-175.4-76.772.6000111.2V59 G93 S94 I383V59-L91 HydrophobicContact CG1-CB 4.4Å; V59-L91 HydrophobicContact CG1-CG 4.06Å; V59-L91 WeakPolarHBondContact CG2-O 3.37Å; L91-G93 PolarHBondContact O-N 3.1Å; L91-S94 PolarHBondContact N-OG 2.64Å; L91-S94 WeakPolarHBondContact O-CB 3.4Å; L91-S94 PolarHBondContact O-N 2.96Å; L91-S94 PolarHBondContact O-OG 2.87Å; L91-I383 HydrophobicContact CB-CG2 3.78Å
92C98.3Very high98.8Very high15 Ų1532.4 Ų32.410%0.10119%0.192CC..G310 helixtrans-56.3-20.9-178-51.60000114.4R90 H352 C382R90-C92 PolarHBondContact O-N 2.75Å; C92-H352 PolarHBondContact SG-NE2 3.38Å; C92-H352 VanDerWaalsContact SG-NE2 3.37Å; C92-C382 WeakPolarHBondContact CB-O 3.28Å
93G98.7Very high98.8Very high0 Ų026.8 Ų26.80%016%0.156CC..G310 helixtrans-88.8-1.5179.100000114.5R90 L91 G95 F96 Q97R90-G93 WeakPolarHBondContact O-CA 3.37Å; R90-G93 PolarHBondContact O-N 2.86Å; L91-G93 PolarHBondContact O-N 3.1Å; G93-G95 VanDerWaalsContact C-N 3.34Å; G93-G95 PolarHBondContact O-N 3.39Å; G93-F96 PolarHBondContact O-N 3.37Å; G93-F96 VanDerWaalsContact O-N 3.08Å; G93-Q97 WeakPolarHBondContact O-CB 3.17Å; G93-Q97 PolarHBondContact O-N 3.24Å
94S98.9Very high98.8Very high0 Ų029.5 Ų29.50%017%0.167CC..Hα-helixtrans-59.8-39.3-169-56.20000113.4I88 R90 L91 F96 Q97 S98I88-S94 WeakPolarHBondContact CD1-O 3.45Å; R90-S94 PolarHBondContact N-OG 2.77Å; L91-S94 PolarHBondContact N-OG 2.64Å; L91-S94 WeakPolarHBondContact O-CB 3.4Å; L91-S94 PolarHBondContact O-N 2.96Å; L91-S94 PolarHBondContact O-OG 2.87Å; S94-F96 VanDerWaalsContact C-N 3.31Å; S94-F96 PolarHBondContact O-N 3.14Å; S94-Q97 PolarHBondContact O-N 2.84Å; S94-Q97 VanDerWaalsContact O-N 3.14Å; S94-S98 PolarHBondContact O-N 2.92Å
95G98.9Very high98.8Very high0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-66.9-27.5178.100000114.5G93 S98 G355 S359G93-G95 VanDerWaalsContact C-N 3.34Å; G93-G95 PolarHBondContact O-N 3.39Å; G95-S98 PolarHBondContact O-OG 3.42Å; G95-S98 VanDerWaalsContact O-OG 3.1Å; G95-G355 VanDerWaalsContact CA-O 3.24Å; G95-G355 WeakPolarHBondContact CA-O 3.45Å; G95-G355 PolarHBondContact N-O 3.38Å; G95-S359 WeakPolarHBondContact CA-OG 3.47Å; G95-S359 PolarHBondContact O-OG 3.43Å
96F98.9Very high98.8Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-78.6-39.9168.8-70.6-68.2000111G93 S94 S98 I99 V100 G358 I361 T362 A381 I389 L391G93-F96 PolarHBondContact O-N 3.37Å; G93-F96 VanDerWaalsContact O-N 3.08Å; S94-F96 VanDerWaalsContact C-N 3.31Å; S94-F96 PolarHBondContact O-N 3.14Å; F96-S98 VanDerWaalsContact C-N 3.3Å; F96-S98 PolarHBondContact O-N 3Å; F96-I99 WeakPolarHBondContact O-CB 3.42Å; F96-I99 PolarHBondContact O-N 2.88Å; F96-I99 VanDerWaalsContact O-N 3.15Å; F96-V100 PolarHBondContact O-N 3.5Å; F96-G358 VanDerWaalsContact CD2-CA 3.41Å; F96-G358 VanDerWaalsContact CE2-CA 3.41Å; F96-I361 HydrophobicContact CE1-CB 4.25Å; F96-I361 HydrophobicContact CE1-CG2 4.07Å; F96-I361 HydrophobicContact CE2-CB 4.5Å; F96-I361 HydrophobicContact CE2-CD1 4.08Å; F96-I361 HydrophobicContact CZ-CB 3.66Å; F96-I361 HydrophobicContact CZ-CD1 3.96Å; F96-I361 HydrophobicContact CZ-CG1 4.4Å; F96-I361 HydrophobicContact CZ-CG2 3.57Å; F96-T362 WeakPolarHBondContact CD1-OG1 3.42Å; F96-T362 VanDerWaalsContact CE1-OG1 3.28Å; F96-T362 WeakPolarHBondContact CE1-OG1 3.37Å; F96-A381 HydrophobicContact CD2-CB 4.29Å; F96-A381 HydrophobicContact CE2-CB 3.93Å; F96-I389 HydrophobicContact CB-CD1 3.72Å; F96-I389 HydrophobicContact CB-CG1 4.09Å; F96-I389 HydrophobicContact CB-CG2 3.99Å; F96-I389 HydrophobicContact CD2-CG2 3.72Å; F96-I389 HydrophobicContact CG-CG2 4.18Å; F96-L391 HydrophobicContact CD1-CB 4.15Å; F96-L391 HydrophobicContact CD1-CD2 4.34Å
97Q98.9Very high98.7Very high12 Ų1223.8 Ų23.86%0.05613%0.129CC..Hα-helixtrans-63.5-35.4-176.9-179.657.562.500112.1I88 R90 G93 S94 I99 V100 N101 I389I88-Q97 HydrophobicContact CD1-CB 3.76Å; I88-Q97 HydrophobicContact CD1-CG 3.74Å; I88-Q97 HydrophobicContact CG1-CG 4.42Å; R90-Q97 HydrophobicContact CB-CB 4.22Å; R90-Q97 HydrophobicContact CB-CG 4.24Å; G93-Q97 WeakPolarHBondContact O-CB 3.17Å; G93-Q97 PolarHBondContact O-N 3.24Å; S94-Q97 PolarHBondContact O-N 2.84Å; S94-Q97 VanDerWaalsContact O-N 3.14Å; Q97-I99 VanDerWaalsContact C-N 3.3Å; Q97-I99 PolarHBondContact O-N 3.17Å; Q97-V100 WeakPolarHBondContact O-CB 3.46Å; Q97-V100 PolarHBondContact O-N 2.92Å; Q97-V100 VanDerWaalsContact O-N 3.17Å; Q97-N101 VanDerWaalsContact NE2-CG 3.33Å; Q97-N101 PolarHBondContact NE2-ND2 2.87Å; Q97-N101 PolarHBondContact NE2-OD1 3.05Å; Q97-N101 PolarHBondContact O-N 2.87Å; Q97-N101 PolarHBondContact O-OD1 2.78Å; Q97-I389 HydrophobicContact CB-CD1 4.13Å
98S98.9Very high98.6Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-60.1-41.817458.20000112.1I55 S94 G95 F96 N101 G102 C116 G117I55-S98 WeakPolarHBondContact O-CB 3.18Å; S94-S98 PolarHBondContact O-N 2.92Å; G95-S98 PolarHBondContact O-OG 3.42Å; G95-S98 VanDerWaalsContact O-OG 3.1Å; F96-S98 VanDerWaalsContact C-N 3.3Å; F96-S98 PolarHBondContact O-N 3Å; S98-N101 PolarHBondContact O-N 2.79Å; S98-G102 PolarHBondContact O-N 3.03Å; S98-C116 PolarHBondContact O-SG 3.39Å; S98-G117 VanDerWaalsContact CB-O 3.29Å; S98-G117 WeakPolarHBondContact CB-O 3.44Å; S98-G117 PolarHBondContact OG-N 2.89Å; S98-G117 PolarHBondContact OG-O 3.15Å
99I98.9Very high98.4Very high0 Ų032.4 Ų32.40%017%0.172CC..Hα-helixtrans-64-42.1174.6-57.9164.6000110.5F96 Q97 N101 G102 C103 C116 V260 I262 T362 L391F96-I99 WeakPolarHBondContact O-CB 3.42Å; F96-I99 PolarHBondContact O-N 2.88Å; F96-I99 VanDerWaalsContact O-N 3.15Å; Q97-I99 VanDerWaalsContact C-N 3.3Å; Q97-I99 PolarHBondContact O-N 3.17Å; I99-N101 PolarHBondContact O-N 2.88Å; I99-G102 PolarHBondContact O-N 2.93Å; I99-C103 PolarHBondContact O-N 2.89Å; I99-C103 PolarHBondContact O-SG 3.03Å; I99-C116 HydrophobicContact CB-CB 4.47Å; I99-C116 HydrophobicContact CG1-CB 3.8Å; I99-V260 HydrophobicContact CD1-CB 4.18Å; I99-V260 HydrophobicContact CD1-CG1 4.41Å; I99-V260 HydrophobicContact CD1-CG2 3.96Å; I99-V260 HydrophobicContact CG1-CB 4.3Å; I99-I262 HydrophobicContact CG2-CG2 4.38Å; I99-T362 HydrophobicContact CD1-CG2 3.86Å; I99-L391 HydrophobicContact CD1-CD2 4.3Å; I99-L391 HydrophobicContact CG2-CD2 4.08Å
100V98.9Very high98.3Very high3 Ų334.7 Ų34.72%0.01818%0.179CC..Hα-helixtrans-59.3-45.9175169.50000111.4F96 Q97 C103 Q104 Y282 I389F96-V100 PolarHBondContact O-N 3.5Å; Q97-V100 WeakPolarHBondContact O-CB 3.46Å; Q97-V100 PolarHBondContact O-N 2.92Å; Q97-V100 VanDerWaalsContact O-N 3.17Å; V100-C103 WeakPolarHBondContact O-CB 3.25Å; V100-C103 PolarHBondContact O-N 3.41Å; V100-Q104 VanDerWaalsContact O-CG 3.28Å; V100-Q104 WeakPolarHBondContact O-CG 3.43Å; V100-Q104 PolarHBondContact O-N 2.77Å; V100-Y282 HydrophobicContact CB-CD2 4.33Å; V100-Y282 HydrophobicContact CB-CG 4.38Å; V100-Y282 HydrophobicContact CG1-CD1 4.49Å; V100-Y282 HydrophobicContact CG1-CD2 3.59Å; V100-Y282 HydrophobicContact CG1-CE1 4.41Å; V100-Y282 HydrophobicContact CG1-CE2 3.51Å; V100-Y282 HydrophobicContact CG1-CG 4.11Å; V100-Y282 HydrophobicContact CG2-CD1 4.13Å; V100-Y282 HydrophobicContact CG2-CD2 3.87Å; V100-Y282 HydrophobicContact CG2-CG 3.64Å; V100-I389 HydrophobicContact CG2-CD1 4.17Å
101N98.9Very high98.3Very high34 Ų3432 Ų3218%0.18217%0.17CC..Hα-helixtrans-64-42.6177.6-70.9118.5000111.7I55 Q97 S98 I99 C103 Q104 E105I55-N101 HydrophobicContact CD1-CB 3.72Å; I55-N101 HydrophobicContact CG2-CB 4.29Å; Q97-N101 VanDerWaalsContact NE2-CG 3.33Å; Q97-N101 PolarHBondContact NE2-ND2 2.87Å; Q97-N101 PolarHBondContact NE2-OD1 3.05Å; Q97-N101 PolarHBondContact O-N 2.87Å; Q97-N101 PolarHBondContact O-OD1 2.78Å; S98-N101 PolarHBondContact O-N 2.79Å; I99-N101 PolarHBondContact O-N 2.88Å; N101-C103 VanDerWaalsContact C-N 3.33Å; N101-C103 PolarHBondContact O-N 2.84Å; N101-Q104 PolarHBondContact ND2-OE1 3.4Å; N101-Q104 WeakPolarHBondContact O-CB 3.41Å; N101-Q104 PolarHBondContact O-N 2.82Å; N101-E105 PolarHBondContact O-N 3.03Å
102G98.9Very high98.3Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-64.8-36.3176.100000112.9S98 I99 Q104 E105 I106 I262S98-G102 PolarHBondContact O-N 3.03Å; I99-G102 PolarHBondContact O-N 2.93Å; G102-Q104 VanDerWaalsContact C-N 3.26Å; G102-Q104 PolarHBondContact O-N 2.84Å; G102-E105 PolarHBondContact O-N 3.39Å; G102-I106 WeakPolarHBondContact O-CG1 3.4Å; G102-I106 PolarHBondContact O-N 2.93Å; G102-I262 VanDerWaalsContact C-CD1 3.42Å
103C98.8Very high98.3Very high2 Ų230.8 Ų30.81%0.01416%0.161CC..Hα-helixtrans-61.6-37.3171.6-65.70000111.5V7 I99 V100 N101 C107 Y282V7-C103 HydrophobicContact CG2-CB 4.47Å; I99-C103 PolarHBondContact O-N 2.89Å; I99-C103 PolarHBondContact O-SG 3.03Å; V100-C103 WeakPolarHBondContact O-CB 3.25Å; V100-C103 PolarHBondContact O-N 3.41Å; N101-C103 VanDerWaalsContact C-N 3.33Å; N101-C103 PolarHBondContact O-N 2.84Å; C103-C107 WeakPolarHBondContact O-CB 3.39Å; C103-C107 PolarHBondContact O-N 2.91Å; C103-C107 PolarHBondContact O-SG 2.83Å; C103-Y282 HydrophobicContact CB-CD1 4.43Å; C103-Y282 HydrophobicContact CB-CE1 3.7Å
104Q98.4Very high98.3Very high75 Ų7530.8 Ų30.835%0.3516%0.161SC..Hα-helixtrans-68.4-45.1178.4-69.3163.8-14.100111.4V100 N101 G102 I106 C107 L108 Y282V100-Q104 VanDerWaalsContact O-CG 3.28Å; V100-Q104 WeakPolarHBondContact O-CG 3.43Å; V100-Q104 PolarHBondContact O-N 2.77Å; N101-Q104 PolarHBondContact ND2-OE1 3.4Å; N101-Q104 WeakPolarHBondContact O-CB 3.41Å; N101-Q104 PolarHBondContact O-N 2.82Å; G102-Q104 VanDerWaalsContact C-N 3.26Å; G102-Q104 PolarHBondContact O-N 2.84Å; Q104-I106 VanDerWaalsContact C-N 3.33Å; Q104-I106 PolarHBondContact O-N 3.46Å; Q104-C107 PolarHBondContact O-N 3.01Å; Q104-L108 WeakPolarHBondContact O-CB 3.37Å; Q104-L108 VanDerWaalsContact O-CG 3.27Å; Q104-L108 WeakPolarHBondContact O-CG 3.33Å; Q104-L108 PolarHBondContact O-N 3.35Å; Q104-Y282 WeakPolarHBondContact CG-OH 3.36Å
105E98.6Very high98.3Very high41 Ų4130.9 Ų30.919%0.19216%0.162CC..Hα-helixtrans-58.3-44.8174.7-69.2-178-175.500111.5S53 I55 N101 G102 L108 N109 D110 S111S53-E105 WeakPolarHBondContact CB-OE2 3.49Å; S53-E105 PolarHBondContact OG-OE1 3.12Å; S53-E105 PolarHBondContact OG-OE2 3.4Å; I55-E105 WeakPolarHBondContact CD1-OE1 3.39Å; N101-E105 PolarHBondContact O-N 3.03Å; G102-E105 PolarHBondContact O-N 3.39Å; E105-L108 PolarHBondContact O-N 3.12Å; E105-N109 PolarHBondContact O-N 2.97Å; E105-D110 HydrophobicContact CB-CB 4.37Å; E105-D110 PolarHBondContact O-N 3.07Å; E105-S111 PolarHBondContact O-N 3.4Å; E105-S111 PolarHBondContact OE2-OG 2.67Å
106I98.4Very high98.3Very high2 Ų231 Ų311%0.0116%0.162CC..Hα-helixtrans-63.9-46.3176.8-69166.8000111.9A5 V7 G102 Q104 L108 N109 S111 V114 I262A5-I106 HydrophobicContact CB-CG2 4.46Å; V7-I106 HydrophobicContact CG1-CD1 4.1Å; V7-I106 HydrophobicContact CG2-CB 4.16Å; V7-I106 HydrophobicContact CG2-CG2 3.8Å; G102-I106 WeakPolarHBondContact O-CG1 3.4Å; G102-I106 PolarHBondContact O-N 2.93Å; Q104-I106 VanDerWaalsContact C-N 3.33Å; Q104-I106 PolarHBondContact O-N 3.46Å; I106-L108 PolarHBondContact O-N 3.28Å; I106-N109 PolarHBondContact O-N 3.05Å; I106-S111 WeakPolarHBondContact CA-O 3.31Å; I106-S111 WeakPolarHBondContact CG1-O 3.44Å; I106-V114 HydrophobicContact CD1-CG2 4.14Å; I106-V114 HydrophobicContact CG1-CG2 4.08Å; I106-I262 HydrophobicContact CD1-CB 4.43Å; I106-I262 HydrophobicContact CD1-CD1 3.92Å; I106-I262 HydrophobicContact CD1-CG1 3.86Å
107C96.9Very high98.3Very high35 Ų3531.2 Ų31.224%0.23617%0.165CC..Hα-helixtrans-65.6-24.2179.9-74.40000113.5C103 Q104 N109C103-C107 WeakPolarHBondContact O-CB 3.39Å; C103-C107 PolarHBondContact O-N 2.91Å; C103-C107 PolarHBondContact O-SG 2.83Å; Q104-C107 PolarHBondContact O-N 3.01Å; C107-N109 VanDerWaalsContact C-N 3.33Å
108L96.4Very high98.3Very high121 Ų12130.7 Ų30.763%0.63416%0.163SC*.THydrogen-bonded Turntrans-89.2-0.2175.1-66.7172.8000112.9Q104 E105 I106 D110Q104-L108 WeakPolarHBondContact O-CB 3.37Å; Q104-L108 VanDerWaalsContact O-CG 3.27Å; Q104-L108 WeakPolarHBondContact O-CG 3.33Å; Q104-L108 PolarHBondContact O-N 3.35Å; E105-L108 PolarHBondContact O-N 3.12Å; I106-L108 PolarHBondContact O-N 3.28Å; L108-D110 PolarHBondContact O-N 2.86Å
109N95.8Very high98.3Very high133 Ų13330.7 Ų30.771%0.71116%0.163SC*.THydrogen-bonded Turntrans6026.5-172.9-55.6-42.6000113.9E105 I106 C107E105-N109 PolarHBondContact O-N 2.97Å; I106-N109 PolarHBondContact O-N 3.05Å; C107-N109 VanDerWaalsContact C-N 3.33Å
110D97.1Very high98.3Very high120 Ų12030.7 Ų30.764%0.64216%0.163SC*.SBendtrans-82.8-23.3173.7-69.5-31.8000111.9E105 L108E105-D110 HydrophobicContact CB-CB 4.37Å; E105-D110 PolarHBondContact O-N 3.07Å; L108-D110 PolarHBondContact O-N 2.86Å
111S98.3Very high98.3Very high11 Ų1130.5 Ų30.58%0.07716%0.162CC..  trans-141.5148.5179.7-64.70000110.7E105 I106E105-S111 PolarHBondContact O-N 3.4Å; E105-S111 PolarHBondContact OE2-OG 2.67Å; I106-S111 WeakPolarHBondContact CA-O 3.31Å; I106-S111 WeakPolarHBondContact CG1-O 3.44Å
112E98.3Very high98.3Very high57 Ų5729 Ų2927%0.26615%0.154SC..SBendtrans-103.8-35.4168.2-71.8-158.8101.800111.9D52 A263 S264 S266 A267 K270D52-E112 WeakPolarHBondContact OD2-CA 3.48Å; D52-E112 WeakPolarHBondContact OD2-CB 3.23Å; D52-E112 PolarHBondContact OD2-N 2.82Å; E112-A263 CarbonylContact O-C 3.48Å; E112-A263 VanDerWaalsContact O-CA 3.26Å; E112-A263 WeakPolarHBondContact O-CA 3.46Å; E112-S264 PolarHBondContact O-N 2.71Å; E112-S266 PolarHBondContact OE1-OG 3.05Å; E112-A267 HydrophobicContact CB-CB 4.23Å; E112-K270 IonicContact OE2-NZ 2.64Å; E112-K270 PolarHBondContact OE2-NZ 3.21Å
113V98.9Very high98.3Very high0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-133.1127.8176.8-175.80000110.5V46 I50 V51 D52 V261 I262 A263 A267 L273V46-V113 HydrophobicContact CG1-CG1 4.36Å; I50-V113 HydrophobicContact CD1-CG2 4.32Å; I50-V113 WeakPolarHBondContact O-CB 3.47Å; V51-V113 HydrophobicContact CG2-CG1 4.32Å; D52-V113 PolarHBondContact N-O 3.06Å; D52-V113 PolarHBondContact OD2-N 3.09Å; V113-V261 HydrophobicContact CG1-CG1 3.82Å; V113-I262 WeakPolarHBondContact CA-O 3.22Å; V113-A263 HydrophobicContact CG2-CB 4.18Å; V113-A267 HydrophobicContact CG2-CB 3.9Å; V113-L273 HydrophobicContact CG2-CD1 4.43Å
114V98.9Very high98.3Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-125.6128-177.4-171.90000110.5S53 I55 I106 C116 I262S53-V114 WeakPolarHBondContact O-CA 3.49Å; S53-V114 WeakPolarHBondContact O-CG1 3.24Å; I55-V114 HydrophobicContact CD1-CG1 3.96Å; I55-V114 HydrophobicContact CG1-CG1 4.02Å; I106-V114 HydrophobicContact CD1-CG2 4.14Å; I106-V114 HydrophobicContact CG1-CG2 4.08Å; V114-C116 PolarHBondContact O-N 2.71Å; V114-I262 HydrophobicContact CB-CD1 4.3Å; V114-I262 HydrophobicContact CB-CG1 3.89Å; V114-I262 PolarHBondContact N-O 3.48Å; V114-I262 PolarHBondContact O-N 3.37Å
115L98.9Very high98.3Very high3 Ų329.7 Ų29.72%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-82.5104.9166.7173.563.2000108.6A37 V51 S53 V54 I55 V73 V77 I79 A259 V261A37-L115 HydrophobicContact CB-CD1 4.11Å; A37-L115 HydrophobicContact CB-CD2 3.8Å; V51-L115 HydrophobicContact CG1-CB 4.02Å; S53-L115 PolarHBondContact O-N 2.64Å; V54-L115 WeakPolarHBondContact CA-O 3.33Å; V54-L115 HydrophobicContact CG1-CD2 4.09Å; V54-L115 HydrophobicContact CG1-CG 4.42Å; V54-L115 HydrophobicContact CG2-CB 4.37Å; V54-L115 HydrophobicContact CG2-CD2 4.39Å; I55-L115 PolarHBondContact N-O 3.49Å; V73-L115 HydrophobicContact CG1-CD2 4.47Å; V77-L115 HydrophobicContact CG2-CD2 4.38Å; I79-L115 HydrophobicContact CD1-CB 4.32Å; I79-L115 HydrophobicContact CD1-CD2 3.7Å; L115-A259 HydrophobicContact CD1-CB 4.24Å; L115-V261 HydrophobicContact CD1-CG2 4.03Å
116C98.9Very high98.2Very high1 Ų130.5 Ų30.51%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-99.2149.7174.5-56.80000109.9I55 S98 I99 V114 A259 V260I55-C116 CarbonylContact O-C 3.36Å; I55-C116 WeakPolarHBondContact O-CA 3.5Å; S98-C116 PolarHBondContact O-SG 3.39Å; I99-C116 HydrophobicContact CB-CB 4.47Å; I99-C116 HydrophobicContact CG1-CB 3.8Å; V114-C116 PolarHBondContact O-N 2.71Å; C116-A259 CarbonylContact O-C 3.5Å; C116-A259 WeakPolarHBondContact O-CA 3.18Å; C116-V260 CarbonylContact C-O 3.55Å; C116-V260 WeakPolarHBondContact CA-O 3.46Å; C116-V260 WeakPolarHBondContact CB-O 3.44Å; C116-V260 PolarHBondContact N-O 3.49Å; C116-V260 PolarHBondContact O-N 3.09Å
117G97.8Very high98.3Very high5 Ų537.1 Ų37.15%0.05220%0.196CC..EExtended strand (participates in β ladder)trans-170.4-177.3174.400000113.7I55 G57 S98 G258 S359I55-G117 PolarHBondContact O-N 3.37Å; G57-G117 PolarHBondContact N-O 2.9Å; S98-G117 VanDerWaalsContact CB-O 3.29Å; S98-G117 WeakPolarHBondContact CB-O 3.44Å; S98-G117 PolarHBondContact OG-N 2.89Å; S98-G117 PolarHBondContact OG-O 3.15Å; G117-G258 CarbonylContact C-O 3.43Å; G117-G258 WeakPolarHBondContact CA-O 3.47Å; G117-S359 VanDerWaalsContact C-OG 3.31Å
118G98.8Very high98.3Very high1 Ų136.4 Ų36.41%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-152.7137.5178.700000109.5G57 A257 G258 G355 A356 S359G57-G118 CarbonylContact O-C 3.56Å; G57-G118 VanDerWaalsContact O-CA 3.25Å; G57-G118 WeakPolarHBondContact O-CA 3.17Å; G118-A257 CarbonylContact O-C 3.56Å; G118-A257 WeakPolarHBondContact O-CA 3.32Å; G118-G258 PolarHBondContact N-O 2.74Å; G118-G258 PolarHBondContact O-N 3.25Å; G118-G355 VanDerWaalsContact CA-O 3.27Å; G118-G355 WeakPolarHBondContact CA-O 3.26Å; G118-A356 WeakPolarHBondContact O-CA 3.25Å; G118-A356 WeakPolarHBondContact O-CB 3.43Å; G118-S359 PolarHBondContact N-OG 3.04Å; G118-S359 VanDerWaalsContact N-OG 3.08Å
119A98.9Very high98.4Very high0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-146144.2-179.200000111.6A29 A33 G57 N58 I69 G256 A257A29-A119 HydrophobicContact CB-CB 4.43Å; A29-A119 WeakPolarHBondContact O-CB 3.28Å; A33-A119 HydrophobicContact CB-CB 3.68Å; G57-A119 PolarHBondContact O-N 2.71Å; N58-A119 PolarHBondContact ND2-O 2.67Å; I69-A119 HydrophobicContact CD1-CB 4.22Å; A119-G256 WeakPolarHBondContact CA-O 3.37Å; A119-A257 HydrophobicContact CB-CB 3.71Å
120E98.9Very high98.5Very high0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-145.7136.7173.5-151.468.3-10900109.3N58 V59 M60 M122 D255 G256 P353 L354 G355N58-E120 PolarHBondContact ND2-OE1 3.24Å; V59-E120 WeakPolarHBondContact CB-OE2 3.38Å; V59-E120 WeakPolarHBondContact CG2-OE2 3.31Å; V59-E120 PolarHBondContact N-OE2 3.07Å; M60-E120 PolarHBondContact N-OE1 3.38Å; E120-M122 HydrophobicContact CG-CG 3.71Å; E120-D255 WeakPolarHBondContact O-CA 3.37Å; E120-G256 PolarHBondContact N-O 2.66Å; E120-G256 PolarHBondContact O-N 2.98Å; E120-G256 VanDerWaalsContact O-O 3.12Å; E120-P353 HydrophobicContact CB-CB 3.82Å; E120-L354 HydrophobicContact CG-CB 4.2Å; E120-G355 PolarHBondContact OE2-N 3.45Å
121N98.7Very high98.5Very high0 Ų035.2 Ų35.20%018%0.18CC..  trans-121.8103.7160.1-172.1-54000107.1L24 L27 A29 L32 S62 S123 Q124 D255L24-N121 PolarHBondContact O-ND2 2.83Å; L27-N121 PolarHBondContact O-ND2 3.33Å; A29-N121 HydrophobicContact CB-CB 4.24Å; L32-N121 HydrophobicContact CD1-CB 4.35Å; S62-N121 VanDerWaalsContact CB-O 3.26Å; S62-N121 WeakPolarHBondContact CB-O 3.36Å; S62-N121 PolarHBondContact OG-O 3.29Å; N121-S123 WeakPolarHBondContact OD1-CA 3.36Å; N121-S123 WeakPolarHBondContact OD1-CB 3.41Å; N121-S123 PolarHBondContact OD1-N 2.98Å; N121-S123 VanDerWaalsContact OD1-N 3.07Å; N121-Q124 WeakPolarHBondContact OD1-CB 3.48Å; N121-Q124 WeakPolarHBondContact OD1-CG 3.22Å; N121-Q124 PolarHBondContact OD1-N 3.4Å; N121-D255 WeakPolarHBondContact CA-OD1 3Å; N121-D255 PolarHBondContact OD1-OD1 3.3Å
122M98.8Very high98.5Very high3 Ų338.6 Ų38.62%0.01520%0.196CC..SBendtrans-83-26-179.4-56.9-17875.600111M60 E120 Q124 S125 L148 V253 C254 D255 L354M60-M122 HydrophobicContact CE-CB 4.05Å; M60-M122 HydrophobicContact CE-CE 4.39Å; M60-M122 HydrophobicContact CE-CG 3.89Å; E120-M122 HydrophobicContact CG-CG 3.71Å; M122-Q124 PolarHBondContact O-N 3Å; M122-S125 WeakPolarHBondContact O-CB 3.28Å; M122-S125 PolarHBondContact O-N 3Å; M122-S125 PolarHBondContact O-OG 2.95Å; M122-L148 HydrophobicContact CB-CD2 4.46Å; M122-L148 HydrophobicContact CE-CD1 3.32Å; M122-V253 HydrophobicContact CB-CG1 3.49Å; M122-V253 VanDerWaalsContact CB-CG1 3.49Å; M122-V253 HydrophobicContact CE-CB 4.44Å; M122-V253 HydrophobicContact CE-CG1 3.89Å; M122-V253 HydrophobicContact CE-CG2 4.21Å; M122-V253 HydrophobicContact CG-CG1 4.26Å; M122-V253 HydrophobicContact SD-CB 4.5Å; M122-V253 HydrophobicContact SD-CG1 3.88Å; M122-C254 VanDerWaalsContact CG-O 3.29Å; M122-C254 WeakPolarHBondContact CG-O 3.28Å; M122-C254 VanDerWaalsContact SD-O 3.4Å; M122-D255 PolarHBondContact N-OD1 3.15Å; M122-L354 HydrophobicContact CE-CD1 4.11Å; M122-L354 HydrophobicContact CE-CD2 4.34Å; M122-L354 HydrophobicContact CE-CG 3.96Å; M122-L354 HydrophobicContact SD-CG 4.17Å
123S98.8Very high98.5Very high25 Ų2546 Ų4618%0.17522%0.221CC..THydrogen-bonded Turntrans-60.8-29.2173.2-62.90000113.8G21 N121 D255G21-S123 PolarHBondContact N-OG 2.78Å; N121-S123 WeakPolarHBondContact OD1-CA 3.36Å; N121-S123 WeakPolarHBondContact OD1-CB 3.41Å; N121-S123 PolarHBondContact OD1-N 2.98Å; N121-S123 VanDerWaalsContact OD1-N 3.07Å; S123-D255 WeakPolarHBondContact CB-OD2 3.21Å; S123-D255 PolarHBondContact N-OD1 3.47Å; S123-D255 VanDerWaalsContact OG-CG 3.3Å; S123-D255 PolarHBondContact OG-OD1 2.77Å; S123-D255 PolarHBondContact OG-OD2 3.19Å
124Q98.8Very high98.4Very high49 Ų4955.2 Ų55.223%0.22926%0.262CS..THydrogen-bonded Turntrans-90.64178.9-69.3-171.3-1.300113.9K25 L27 S62 N121 M122 P126K25-Q124 VanDerWaalsContact O-CG 3.32Å; K25-Q124 WeakPolarHBondContact O-CG 3.25Å; K25-Q124 PolarHBondContact O-NE2 2.9Å; L27-Q124 PolarHBondContact O-NE2 2.94Å; S62-Q124 WeakPolarHBondContact O-CB 3.18Å; N121-Q124 WeakPolarHBondContact OD1-CB 3.48Å; N121-Q124 WeakPolarHBondContact OD1-CG 3.22Å; N121-Q124 PolarHBondContact OD1-N 3.4Å; M122-Q124 PolarHBondContact O-N 3Å; Q124-P126 WeakPolarHBondContact O-CD 3.3Å; Q124-P126 VanDerWaalsContact O-N 3.11Å
125S98.4Very high98.3Very high16 Ų1657.8 Ų57.811%0.11229%0.288CS..PPolyproline II helixtrans-54.1121.5178.4-54.50000110.4M60 M122M60-S125 WeakPolarHBondContact CE-OG 3.47Å; M122-S125 WeakPolarHBondContact O-CB 3.28Å; M122-S125 PolarHBondContact O-N 3Å; M122-S125 PolarHBondContact O-OG 2.95Å
126P98.4Very high98.3Very high59 Ų5962 Ų6238%0.38331%0.314SS..PPolyproline II helixtrans-74.1163.4-17330.4-36.3000111.1Q124 T147Q124-P126 WeakPolarHBondContact O-CD 3.3Å; Q124-P126 VanDerWaalsContact O-N 3.11Å; P126-T147 WeakPolarHBondContact CD-OG1 3.24Å; P126-T147 HydrophobicContact CG-CG2 4.35Å; P126-T147 WeakPolarHBondContact O-CG2 3.27Å; P126-T147 PolarHBondContact O-N 3.33Å; P126-T147 PolarHBondContact O-OG1 3.39Å
127Y98.7Very high98.2Very high140 Ų14070.4 Ų70.455%0.54935%0.351SS..EExtended strand (participates in β ladder)trans-83.9140.7152.3-73.1-91.9000109.7L144 E145 D146Y127-L144 HydrophobicContact CD1-CB 4.47Å; Y127-L144 HydrophobicContact CD1-CD2 4.35Å; Y127-L144 HydrophobicContact CD1-CG 3.77Å; Y127-L144 WeakPolarHBondContact CD1-O 3.5Å; Y127-L144 HydrophobicContact CG-CD1 4.39Å; Y127-L144 HydrophobicContact CG-CD2 4.3Å; Y127-L144 HydrophobicContact CG-CG 3.86Å; Y127-E145 CarbonylContact C-O 3.56Å; Y127-E145 VanDerWaalsContact CA-O 3.23Å; Y127-E145 WeakPolarHBondContact CA-O 3.37Å; Y127-D146 HydrophobicContact CD1-CB 4.11Å; Y127-D146 HydrophobicContact CE1-CB 3.72Å
128A98.3Very high98.2Very high21 Ų2179.1 Ų79.117%0.17440%0.395CS..EExtended strand (participates in β ladder)trans-114.3138.9177.100000111.6E145 T147A128-E145 PolarHBondContact N-O 2.88Å; A128-E145 WeakPolarHBondContact O-CB 3.08Å; A128-E145 PolarHBondContact O-N 3.38Å; A128-T147 HydrophobicContact CB-CG2 3.65Å
129V98.1Very high98.1Very high69 Ų6982.9 Ų82.942%0.41843%0.434SS..  trans-110.5116.9167.6-173.30000108.4I132 L144V129-I132 HydrophobicContact CB-CD1 4.14Å; V129-I132 HydrophobicContact CG1-CD1 3.71Å; V129-I132 HydrophobicContact CG1-CG1 4.1Å; V129-I132 HydrophobicContact CG1-CG2 3.84Å; V129-L144 HydrophobicContact CG2-CD1 3.55Å
130R97.8Very high98Very high132 Ų13285.3 Ų85.350%0.49845%0.454SS..  trans-99.4160.2-177.2-56.5-176.8-173.3-77.2-2.5110.7I132 E145R130-I132 PolarHBondContact O-N 3.49Å; R130-E145 IonicContact CZ-OE1 2.75Å; R130-E145 IonicContact NE-OE1 3.68Å; R130-E145 PolarHBondContact NE-OE1 2.87Å; R130-E145 IonicContact NE-OE2 3.53Å; R130-E145 PolarHBondContact NE-OE2 3.16Å; R130-E145 IonicContact NH2-OE1 2.76Å; R130-E145 PolarHBondContact NH2-OE1 2.74Å
131N97.3Very high97.9Very high148 Ų14891.1 Ų91.179%0.79149%0.485SS*.SBendtrans65.524170.2-48.8-41000116.7
132I97.9Very high97.8Very high81 Ų8194.8 Ų94.842%0.41550%0.504SS..  trans-112.5-7.8-179.863164.1000114.9V129 R130 F134 G135 T136 L142V129-I132 HydrophobicContact CB-CD1 4.14Å; V129-I132 HydrophobicContact CG1-CD1 3.71Å; V129-I132 HydrophobicContact CG1-CG1 4.1Å; V129-I132 HydrophobicContact CG1-CG2 3.84Å; R130-I132 PolarHBondContact O-N 3.49Å; I132-F134 PolarHBondContact O-N 2.86Å; I132-F134 VanDerWaalsContact O-N 3.12Å; I132-G135 PolarHBondContact O-N 3.39Å; I132-T136 HydrophobicContact CB-CG2 4.19Å; I132-T136 HydrophobicContact CG2-CG2 3.79Å; I132-L142 HydrophobicContact CG2-CD1 3.62Å; I132-L142 HydrophobicContact CG2-CD2 3.67Å; I132-L142 HydrophobicContact CG2-CG 4.26Å
133R98.3Very high97.7Very high214 Ų214100.3 Ų100.381%0.80853%0.528SS*.THydrogen-bonded Turntrans-60.1-28.1-173-173.5178.3-71.3-82.12.8113.3
134F98Very high97.7Very high193 Ų193104.8 Ų104.885%0.84655%0.549SS*.THydrogen-bonded Turntrans-121.427.9-171.5-49.7-65.1000112.6I132I132-F134 PolarHBondContact O-N 2.86Å; I132-F134 VanDerWaalsContact O-N 3.12Å
135G97Very high97.7Very high54 Ų54105.4 Ų105.456%0.55755%0.552SS**  trans89.3169.3-174.100000113.1I132I132-G135 PolarHBondContact O-N 3.39Å
136T97.9Very high97.7Very high91 Ų91106.8 Ų106.856%0.55856%0.559SS**  trans-128.6156.7-174.861.30000110.3I132 L142I132-T136 HydrophobicContact CB-CG2 4.19Å; I132-T136 HydrophobicContact CG2-CG2 3.79Å; T136-L142 HydrophobicContact CG2-CD1 3.81Å
137K97.4Very high97.7Very high178 Ų178105 Ų10577%0.77455%0.547SS*.  trans-88.2140.2171.8-64.2-177.8-178.9-179.90109.3G139 A140K137-G139 PolarHBondContact O-N 3.46Å; K137-A140 VanDerWaalsContact O-CB 3.25Å; K137-A140 WeakPolarHBondContact O-CB 3.46Å; K137-A140 PolarHBondContact O-N 3.46Å
138L97.4Very high97.6Very high187 Ų18798.9 Ų98.998%0.97952%0.523SS*.THydrogen-bonded Turntrans-54.1127.4170.6178.664.7000109.4
139G96.8Very high97.6Very high80 Ų80105.4 Ų105.483%0.82554%0.543SS*.THydrogen-bonded Turntrans83.46.8-177.900000115.8K137K137-G139 PolarHBondContact O-N 3.46Å
140A96.5Very high97.6Very high51 Ų51103.8 Ų103.842%0.42154%0.538SS..  trans-66133.2174.900000112.2K137 L142K137-A140 VanDerWaalsContact O-CB 3.25Å; K137-A140 WeakPolarHBondContact O-CB 3.46Å; K137-A140 PolarHBondContact O-N 3.46Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-L142 HydrophobicContact CB-CG 4.5Å; A140-L142 PolarHBondContact O-N 3.02Å; A140-L142 VanDerWaalsContact O-N 3.07Å
141D97.1Very high97.5Very high123 Ų123101 Ų10166%0.65854%0.538SS*.  trans-85.272.1178.6-172.623.1000111.5K143D141-K143 VanDerWaalsContact CG-CE 3.44Å; D141-K143 WeakPolarHBondContact OD1-CE 3.2Å; D141-K143 IonicContact OD1-NZ 2.71Å; D141-K143 PolarHBondContact OD1-NZ 3.16Å; D141-K143 WeakPolarHBondContact OD2-CE 3.42Å; D141-K143 IonicContact OD2-NZ 3.53Å; D141-K143 PolarHBondContact OD2-NZ 3.43Å
142L96.5Very high97.6Very high76 Ų7696.2 Ų96.240%0.39851%0.512SS..  trans-69134.8177.4-62172.3000110.5I132 T136 A140I132-L142 HydrophobicContact CG2-CD1 3.62Å; I132-L142 HydrophobicContact CG2-CD2 3.67Å; I132-L142 HydrophobicContact CG2-CG 4.26Å; T136-L142 HydrophobicContact CG2-CD1 3.81Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-L142 HydrophobicContact CB-CG 4.5Å; A140-L142 PolarHBondContact O-N 3.02Å; A140-L142 VanDerWaalsContact O-N 3.07Å
143K97.4Very high97.6Very high119 Ų11994.3 Ų94.352%0.51751%0.505SS..  trans-109.7142.9178.1-57.5-55.6-174.6-167.70111D141 E145D141-K143 VanDerWaalsContact CG-CE 3.44Å; D141-K143 WeakPolarHBondContact OD1-CE 3.2Å; D141-K143 IonicContact OD1-NZ 2.71Å; D141-K143 PolarHBondContact OD1-NZ 3.16Å; D141-K143 WeakPolarHBondContact OD2-CE 3.42Å; D141-K143 IonicContact OD2-NZ 3.53Å; D141-K143 PolarHBondContact OD2-NZ 3.43Å; K143-E145 PolarHBondContact O-N 2.9Å
144L97.8Very high97.6Very high119 Ų11985.3 Ų85.362%0.62347%0.472SS*.  trans-85.589.6157.5-167.161.7000106Y127 V129Y127-L144 HydrophobicContact CD1-CB 4.47Å; Y127-L144 HydrophobicContact CD1-CD2 4.35Å; Y127-L144 HydrophobicContact CD1-CG 3.77Å; Y127-L144 WeakPolarHBondContact CD1-O 3.5Å; Y127-L144 HydrophobicContact CG-CD1 4.39Å; Y127-L144 HydrophobicContact CG-CD2 4.3Å; Y127-L144 HydrophobicContact CG-CG 3.86Å; V129-L144 HydrophobicContact CG2-CD1 3.55Å
145E98.2Very high97.5Very high62 Ų6281.7 Ų81.729%0.2947%0.466SS..EExtended strand (participates in β ladder)trans-79120.7-171.8-177.5-175.794.500110.5Y127 A128 R130 K143 T147 A150Y127-E145 CarbonylContact C-O 3.56Å; Y127-E145 VanDerWaalsContact CA-O 3.23Å; Y127-E145 WeakPolarHBondContact CA-O 3.37Å; A128-E145 PolarHBondContact N-O 2.88Å; A128-E145 WeakPolarHBondContact O-CB 3.08Å; A128-E145 PolarHBondContact O-N 3.38Å; R130-E145 IonicContact CZ-OE1 2.75Å; R130-E145 IonicContact NE-OE1 3.68Å; R130-E145 PolarHBondContact NE-OE1 2.87Å; R130-E145 IonicContact NE-OE2 3.53Å; R130-E145 PolarHBondContact NE-OE2 3.16Å; R130-E145 IonicContact NH2-OE1 2.76Å; R130-E145 PolarHBondContact NH2-OE1 2.74Å; K143-E145 PolarHBondContact O-N 2.9Å; E145-T147 PolarHBondContact O-N 2.96Å; E145-A150 HydrophobicContact CG-CB 4.18Å
146D98.5Very high97.6Very high46 Ų4686.7 Ų86.725%0.24648%0.475CS..EExtended strand (participates in β ladder)trans-68.1109.7168.3-176.9-40.3000108.9Y127 L148 W149 A150Y127-D146 HydrophobicContact CD1-CB 4.11Å; Y127-D146 HydrophobicContact CE1-CB 3.72Å; D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 3.03Å; D146-L148 WeakPolarHBondContact OD1-CA 3.2Å; D146-L148 WeakPolarHBondContact OD1-CB 3.13Å; D146-L148 PolarHBondContact OD1-N 2.99Å; D146-W149 HydrophobicContact CB-CB 4.05Å; D146-W149 PolarHBondContact O-N 3Å; D146-W149 PolarHBondContact OD1-N 3.28Å; D146-A150 WeakPolarHBondContact O-CB 3.43Å; D146-A150 PolarHBondContact O-N 3.08Å
147T98.4Very high97.6Very high22 Ų2284.2 Ų84.214%0.13546%0.459CS..Hα-helixtrans-71.2-27.2-174.562.90000112.8P126 A128 E145 S151P126-T147 WeakPolarHBondContact CD-OG1 3.24Å; P126-T147 HydrophobicContact CG-CG2 4.35Å; P126-T147 WeakPolarHBondContact O-CG2 3.27Å; P126-T147 PolarHBondContact O-N 3.33Å; P126-T147 PolarHBondContact O-OG1 3.39Å; A128-T147 HydrophobicContact CB-CG2 3.65Å; E145-T147 PolarHBondContact O-N 2.96Å; T147-S151 VanDerWaalsContact O-CB 3.24Å; T147-S151 WeakPolarHBondContact O-CB 3.35Å; T147-S151 PolarHBondContact O-N 2.81Å; T147-S151 VanDerWaalsContact O-N 3.08Å; T147-S151 PolarHBondContact O-OG 2.62Å
148L98.1Very high97.6Very high11 Ų1183.9 Ų83.96%0.05846%0.458CS..Hα-helixtrans-67.9-52.1176.2165.358.8000109.5Y20 M60 M122 D146 A150 S151 L152 V253Y20-L148 HydrophobicContact CE2-CD2 4.1Å; M60-L148 HydrophobicContact CE-CB 4.45Å; M60-L148 HydrophobicContact CE-CD1 3.88Å; M60-L148 HydrophobicContact SD-CB 4.25Å; M60-L148 HydrophobicContact SD-CD1 3.84Å; M122-L148 HydrophobicContact CB-CD2 4.46Å; M122-L148 HydrophobicContact CE-CD1 3.32Å; D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 3.03Å; D146-L148 WeakPolarHBondContact OD1-CA 3.2Å; D146-L148 WeakPolarHBondContact OD1-CB 3.13Å; D146-L148 PolarHBondContact OD1-N 2.99Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 3.15Å; L148-S151 PolarHBondContact O-N 2.92Å; L148-L152 HydrophobicContact CD1-CD1 3.86Å; L148-L152 HydrophobicContact CD1-CG 4.08Å; L148-L152 HydrophobicContact CG-CD1 4.42Å; L148-L152 WeakPolarHBondContact O-CG 3.42Å; L148-L152 PolarHBondContact O-N 2.99Å; L148-V253 HydrophobicContact CD2-CG1 3.82Å; L148-V253 HydrophobicContact CD2-CG2 4.39Å
149W97.8Very high97.7Very high157 Ų15776.5 Ų76.560%0.59542%0.419SS*.Hα-helixtrans-60.9-43.2-179.3-171.1-106.4000112.1D146 S151 L152 F239D146-W149 HydrophobicContact CB-CB 4.05Å; D146-W149 PolarHBondContact O-N 3Å; D146-W149 PolarHBondContact OD1-N 3.28Å; W149-S151 VanDerWaalsContact C-N 3.33Å; W149-S151 PolarHBondContact O-N 2.83Å; W149-L152 PolarHBondContact O-N 3.39Å; W149-F239 AromaticContact CH2-CE1 3.86Å; W149-F239 HydrophobicContact CH2-CE1 3.86Å; W149-F239 HydrophobicContact CH2-CZ 4.27Å
150A96.8Very high97.7Very high36 Ų3674.5 Ų74.530%0.29839%0.392SS..Hα-helixtrans-61.7-39.8176.800000112.4E145 D146 L148 L152 T153E145-A150 HydrophobicContact CG-CB 4.18Å; D146-A150 WeakPolarHBondContact O-CB 3.43Å; D146-A150 PolarHBondContact O-N 3.08Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 3.15Å; A150-L152 VanDerWaalsContact C-N 3.3Å; A150-L152 PolarHBondContact O-N 2.97Å; A150-T153 PolarHBondContact O-N 3.46Å
151S97.4Very high97.8Very high72 Ų7273.2 Ų73.250%0.50338%0.377SS..Hα-helixtrans-73.9-18.5-178.2-58.80000113.8T147 L148 W149 T153T147-S151 VanDerWaalsContact O-CB 3.24Å; T147-S151 WeakPolarHBondContact O-CB 3.35Å; T147-S151 PolarHBondContact O-N 2.81Å; T147-S151 VanDerWaalsContact O-N 3.08Å; T147-S151 PolarHBondContact O-OG 2.62Å; L148-S151 PolarHBondContact O-N 2.92Å; W149-S151 VanDerWaalsContact C-N 3.33Å; W149-S151 PolarHBondContact O-N 2.83Å; S151-T153 PolarHBondContact O-N 2.85Å
152L97.7Very high97.9Very high49 Ų4967.5 Ų67.526%0.25735%0.347SS..THydrogen-bonded Turntrans-84.39.5174.2-65.4179.1000113.3L148 W149 A150 M161L148-L152 HydrophobicContact CD1-CD1 3.86Å; L148-L152 HydrophobicContact CD1-CG 4.08Å; L148-L152 HydrophobicContact CG-CD1 4.42Å; L148-L152 WeakPolarHBondContact O-CG 3.42Å; L148-L152 PolarHBondContact O-N 2.99Å; W149-L152 PolarHBondContact O-N 3.39Å; A150-L152 VanDerWaalsContact C-N 3.3Å; A150-L152 PolarHBondContact O-N 2.97Å; L152-M161 WeakPolarHBondContact O-CG 3.36Å; L152-M161 PolarHBondContact O-N 3.16Å
153T98.4Very high98Very high41 Ų4165.5 Ų65.525%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-118.2123.1168.8-61.90000109.2A150 S151 T155A150-T153 PolarHBondContact O-N 3.46Å; S151-T153 PolarHBondContact O-N 2.85Å; T153-T155 PolarHBondContact O-N 3.4Å
154D98.3Very high98Very high24 Ų2459.8 Ų59.813%0.12831%0.313CS..EExtended strand (participates in β ladder)trans-72.4113171.2-179.4-11.7000108.5H156 V157 K158 I159 M161 G385D154-H156 VanDerWaalsContact C-N 3.29Å; D154-H156 PolarHBondContact O-N 3.07Å; D154-H156 VanDerWaalsContact OD1-CB 3.25Å; D154-H156 WeakPolarHBondContact OD1-CB 3.22Å; D154-H156 PolarHBondContact OD1-N 2.85Å; D154-V157 HydrophobicContact CB-CG2 3.86Å; D154-K158 CarbonylContact O-C 3.53Å; D154-K158 WeakPolarHBondContact O-CA 3.36Å; D154-K158 PolarHBondContact O-N 3.17Å; D154-I159 PolarHBondContact N-O 2.9Å; D154-I159 PolarHBondContact O-N 3.12Å; D154-I159 VanDerWaalsContact O-N 3.16Å; D154-M161 HydrophobicContact CB-CE 3.6Å; D154-G385 WeakPolarHBondContact OD2-CA 3.41Å
155T96.9Very high98.1Very high117 Ų11754.2 Ų54.272%0.71828%0.284SS*.THydrogen-bonded Turntrans-74.9-17.3-177.356.60000113.5T153T153-T155 PolarHBondContact O-N 3.4Å
156H98.3Very high98.1Very high160 Ų16051.4 Ų51.474%0.74127%0.271SS*.THydrogen-bonded Turntrans-69.8-49.5176-177.369.9000110.9D154D154-H156 VanDerWaalsContact C-N 3.29Å; D154-H156 PolarHBondContact O-N 3.07Å; D154-H156 VanDerWaalsContact OD1-CB 3.25Å; D154-H156 WeakPolarHBondContact OD1-CB 3.22Å; D154-H156 PolarHBondContact OD1-N 2.85Å
157V98.1Very high98.1Very high38 Ų3851.8 Ų51.823%0.2327%0.273CS..THydrogen-bonded Turntrans-94.4-9.9176.8-64.20000113.6D154 I159 P289 T290D154-V157 HydrophobicContact CB-CG2 3.86Å; V157-I159 HydrophobicContact CB-CD1 4.12Å; V157-I159 HydrophobicContact CB-CG1 4.3Å; V157-I159 HydrophobicContact CG2-CB 3.87Å; V157-I159 HydrophobicContact CG2-CD1 4.09Å; V157-I159 HydrophobicContact CG2-CG1 4.07Å; V157-I159 WeakPolarHBondContact O-CG1 3.45Å; V157-P289 HydrophobicContact CG1-CB 3.94Å; V157-P289 HydrophobicContact CG1-CG 4.43Å; V157-P289 HydrophobicContact CG2-CB 4.33Å; V157-T290 HydrophobicContact CB-CG2 4.25Å; V157-T290 HydrophobicContact CG1-CG2 3.95Å
158K98.1Very high98.1Very high171 Ų17150.7 Ų50.774%0.74327%0.266SS*.THydrogen-bonded Turntrans60.939-177.5-54.4173.7-176.9175.20113.2D154D154-K158 CarbonylContact O-C 3.53Å; D154-K158 WeakPolarHBondContact O-CA 3.36Å; D154-K158 PolarHBondContact O-N 3.17Å
159I97.9Very high98.2Very high32 Ų3250.4 Ų50.416%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-122.7124.2-174.1-64.5174.1000109.8D154 V157 V163 T164 T290D154-I159 PolarHBondContact N-O 2.9Å; D154-I159 PolarHBondContact O-N 3.12Å; D154-I159 VanDerWaalsContact O-N 3.16Å; V157-I159 HydrophobicContact CB-CD1 4.12Å; V157-I159 HydrophobicContact CB-CG1 4.3Å; V157-I159 HydrophobicContact CG2-CB 3.87Å; V157-I159 HydrophobicContact CG2-CD1 4.09Å; V157-I159 HydrophobicContact CG2-CG1 4.07Å; V157-I159 WeakPolarHBondContact O-CG1 3.45Å; I159-V163 HydrophobicContact CG2-CB 3.58Å; I159-V163 HydrophobicContact CG2-CG1 3.65Å; I159-T164 HydrophobicContact CB-CG2 4.49Å; I159-T164 HydrophobicContact CG2-CG2 3.69Å; I159-T290 HydrophobicContact CD1-CG2 3.97Å
160P98.3Very high98.2Very high39 Ų3947.3 Ų47.325%0.25326%0.264SS..EExtended strand (participates in β ladder)trans-59.4145.7168.8-24.234.4000111.7A162 V163 T164 F239P160-A162 PolarHBondContact O-N 3.23Å; P160-A162 VanDerWaalsContact O-N 3.11Å; P160-V163 HydrophobicContact CB-CG2 4.22Å; P160-V163 HydrophobicContact CG-CG2 4.21Å; P160-V163 WeakPolarHBondContact O-CB 3.39Å; P160-V163 PolarHBondContact O-N 3.41Å; P160-T164 PolarHBondContact O-N 3.09Å; P160-F239 HydrophobicContact CB-CD1 4.26Å; P160-F239 HydrophobicContact CB-CE1 4.47Å
161M98.4Very high98.3Very high24 Ų2451.5 Ų51.512%0.11828%0.275CS..Hα-helixtrans-53.4-39.5-177.7-67.5-58.796.200113L152 D154 V163 T164 A165 M292 F323L152-M161 WeakPolarHBondContact O-CG 3.36Å; L152-M161 PolarHBondContact O-N 3.16Å; D154-M161 HydrophobicContact CB-CE 3.6Å; M161-V163 VanDerWaalsContact C-N 3.31Å; M161-V163 PolarHBondContact O-N 2.86Å; M161-T164 HydrophobicContact CE-CG2 4.44Å; M161-T164 WeakPolarHBondContact O-CB 3.42Å; M161-T164 PolarHBondContact O-N 3.5Å; M161-T164 VanDerWaalsContact O-N 3.14Å; M161-T164 PolarHBondContact O-OG1 3.16Å; M161-A165 PolarHBondContact O-N 2.76Å; M161-M292 HydrophobicContact CB-CE 4.3Å; M161-M292 HydrophobicContact SD-CE 3.85Å; M161-M292 HydrophobicContact SD-CG 4.25Å; M161-M292 HydrophobicContact SD-SD 4.45Å; M161-F323 HydrophobicContact CB-CE2 4.05Å; M161-F323 HydrophobicContact CB-CZ 4.11Å
162A98.1Very high98.4Very high2 Ų250.3 Ų50.32%0.01726%0.26CS..Hα-helixtrans-63.1-33.6176.900000113.6P160 T164 A165 E166 F239 V245 F323P160-A162 PolarHBondContact O-N 3.23Å; P160-A162 VanDerWaalsContact O-N 3.11Å; A162-T164 VanDerWaalsContact C-N 3.3Å; A162-T164 PolarHBondContact O-N 2.96Å; A162-A165 WeakPolarHBondContact O-CB 3.49Å; A162-A165 PolarHBondContact O-N 3.07Å; A162-A165 VanDerWaalsContact O-N 3.1Å; A162-E166 PolarHBondContact O-N 3.01Å; A162-F239 HydrophobicContact CB-CB 4.07Å; A162-F239 HydrophobicContact CB-CD1 3.81Å; A162-F239 HydrophobicContact CB-CD2 3.15Å; A162-F239 HydrophobicContact CB-CE1 3.97Å; A162-F239 HydrophobicContact CB-CE2 3.35Å; A162-F239 HydrophobicContact CB-CG 3.39Å; A162-F239 HydrophobicContact CB-CZ 3.76Å; A162-V245 HydrophobicContact CB-CG1 4.12Å; A162-F323 HydrophobicContact CB-CD1 4.4Å; A162-F323 HydrophobicContact CB-CE1 3.65Å; A162-F323 HydrophobicContact CB-CZ 3.89Å
163V98.5Very high98.4Very high34 Ų3454.3 Ų54.321%0.20628%0.282CS..Hα-helixtrans-70.7-29.7177176.90000110.8I159 P160 M161 A165 E166 N167 F239I159-V163 HydrophobicContact CG2-CB 3.58Å; I159-V163 HydrophobicContact CG2-CG1 3.65Å; P160-V163 HydrophobicContact CB-CG2 4.22Å; P160-V163 HydrophobicContact CG-CG2 4.21Å; P160-V163 WeakPolarHBondContact O-CB 3.39Å; P160-V163 PolarHBondContact O-N 3.41Å; M161-V163 VanDerWaalsContact C-N 3.31Å; M161-V163 PolarHBondContact O-N 2.86Å; V163-A165 PolarHBondContact O-N 3.2Å; V163-E166 WeakPolarHBondContact O-CB 3.2Å; V163-E166 PolarHBondContact O-N 3.04Å; V163-N167 VanDerWaalsContact O-CG 3.3Å; V163-N167 PolarHBondContact O-N 3.08Å; V163-N167 PolarHBondContact O-OD1 3.31Å; V163-F239 HydrophobicContact CG2-CB 4.03Å
164T98.8Very high98.4Very high0 Ų053.1 Ų53.10%027%0.273CS..Hα-helixtrans-63.7-31.9169.977.80000112I159 P160 M161 A162 N167 L168 T290 M292I159-T164 HydrophobicContact CB-CG2 4.49Å; I159-T164 HydrophobicContact CG2-CG2 3.69Å; P160-T164 PolarHBondContact O-N 3.09Å; M161-T164 HydrophobicContact CE-CG2 4.44Å; M161-T164 WeakPolarHBondContact O-CB 3.42Å; M161-T164 PolarHBondContact O-N 3.5Å; M161-T164 VanDerWaalsContact O-N 3.14Å; M161-T164 PolarHBondContact O-OG1 3.16Å; A162-T164 VanDerWaalsContact C-N 3.3Å; A162-T164 PolarHBondContact O-N 2.96Å; T164-N167 PolarHBondContact O-N 3.18Å; T164-L168 PolarHBondContact O-N 3.49Å; T164-T290 WeakPolarHBondContact CA-O 3.36Å; T164-T290 WeakPolarHBondContact CB-O 3.4Å; T164-M292 HydrophobicContact CG2-CG 4.29Å
165A98.8Very high98.4Very high1 Ų155.3 Ų55.31%0.00829%0.288CS..Hα-helixtrans-75.4-35.9175.100000111.9M161 A162 V163 N167 L168 A169 V245 F323 P325 Q326M161-A165 PolarHBondContact O-N 2.76Å; A162-A165 WeakPolarHBondContact O-CB 3.49Å; A162-A165 PolarHBondContact O-N 3.07Å; A162-A165 VanDerWaalsContact O-N 3.1Å; V163-A165 PolarHBondContact O-N 3.2Å; A165-N167 VanDerWaalsContact C-N 3.31Å; A165-N167 PolarHBondContact O-N 3.41Å; A165-L168 WeakPolarHBondContact O-CB 3.39Å; A165-L168 PolarHBondContact O-N 3.29Å; A165-A169 PolarHBondContact O-N 3.26Å; A165-V245 HydrophobicContact CB-CG2 4.22Å; A165-F323 HydrophobicContact CB-CB 3.67Å; A165-F323 HydrophobicContact CB-CD1 4.44Å; A165-F323 HydrophobicContact CB-CD2 3.72Å; A165-F323 HydrophobicContact CB-CG 3.68Å; A165-P325 HydrophobicContact CB-CG 4.09Å; A165-Q326 HydrophobicContact CB-CB 4.23Å
166E98.8Very high98.5Very high4 Ų452.4 Ų52.42%0.01926%0.263CS..Hα-helixtrans-60.2-39.4169.3-66.4-71.2174.300111.9A162 V163 L168 A169 V170 K240 G243 T244 V245A162-E166 PolarHBondContact O-N 3.01Å; V163-E166 WeakPolarHBondContact O-CB 3.2Å; V163-E166 PolarHBondContact O-N 3.04Å; E166-L168 VanDerWaalsContact C-N 3.3Å; E166-L168 PolarHBondContact O-N 3.33Å; E166-A169 WeakPolarHBondContact O-CB 3.35Å; E166-A169 PolarHBondContact O-N 2.81Å; E166-V170 WeakPolarHBondContact O-CG2 3.34Å; E166-V170 PolarHBondContact O-N 3.11Å; E166-K240 HydrophobicContact CB-CD 4.31Å; E166-K240 HydrophobicContact CG-CB 4.27Å; E166-K240 HydrophobicContact CG-CD 4.35Å; E166-G243 WeakPolarHBondContact OE1-CA 3.14Å; E166-G243 WeakPolarHBondContact OE2-CA 3.25Å; E166-T244 VanDerWaalsContact CD-N 3.32Å; E166-T244 PolarHBondContact OE1-N 3.08Å; E166-T244 PolarHBondContact OE2-N 2.9Å; E166-T244 PolarHBondContact OE2-OG1 2.78Å; E166-V245 HydrophobicContact CG-CG2 4.11Å; E166-V245 WeakPolarHBondContact OE1-CB 3.36Å; E166-V245 WeakPolarHBondContact OE1-CG2 3.28Å; E166-V245 PolarHBondContact OE1-N 3.04Å
167N98.8Very high98.5Very high53 Ų5350.7 Ų50.728%0.28326%0.256SS..Hα-helixtrans-61.8-39.5175.3-68.3-18.2000111.6V163 T164 A165 K171 T290 I291V163-N167 VanDerWaalsContact O-CG 3.3Å; V163-N167 PolarHBondContact O-N 3.08Å; V163-N167 PolarHBondContact O-OD1 3.31Å; T164-N167 PolarHBondContact O-N 3.18Å; A165-N167 VanDerWaalsContact C-N 3.31Å; A165-N167 PolarHBondContact O-N 3.41Å; N167-K171 VanDerWaalsContact O-CB 3.31Å; N167-K171 WeakPolarHBondContact O-CB 3.28Å; N167-K171 PolarHBondContact O-N 2.88Å; N167-T290 PolarHBondContact ND2-O 3.42Å; N167-I291 HydrophobicContact CB-CG2 3.82Å
168L98.9Very high98.6Very high0 Ų051.8 Ų51.80%026%0.26CS..Hα-helixtrans-67.2-39.9173.1-73.7172.2000112.2T164 A165 E166 V170 K171 Y172 I291 I294 Q326 A329T164-L168 PolarHBondContact O-N 3.49Å; A165-L168 WeakPolarHBondContact O-CB 3.39Å; A165-L168 PolarHBondContact O-N 3.29Å; E166-L168 VanDerWaalsContact C-N 3.3Å; E166-L168 PolarHBondContact O-N 3.33Å; L168-V170 VanDerWaalsContact C-N 3.31Å; L168-V170 PolarHBondContact O-N 3.43Å; L168-K171 PolarHBondContact O-N 3.13Å; L168-Y172 HydrophobicContact CD2-CD2 3.97Å; L168-Y172 HydrophobicContact CD2-CE2 3.71Å; L168-Y172 WeakPolarHBondContact O-CB 3.3Å; L168-Y172 WeakPolarHBondContact O-CD2 3.48Å; L168-Y172 PolarHBondContact O-N 2.78Å; L168-I291 HydrophobicContact CD2-CB 3.94Å; L168-I291 HydrophobicContact CD2-CG2 4.15Å; L168-I291 HydrophobicContact CG-CB 4.17Å; L168-I291 HydrophobicContact CG-CG2 4.28Å; L168-I294 HydrophobicContact CD2-CB 4.07Å; L168-I294 HydrophobicContact CD2-CD1 4.21Å; L168-I294 HydrophobicContact CD2-CG1 4.47Å; L168-Q326 HydrophobicContact CD1-CB 4.24Å; L168-Q326 HydrophobicContact CD1-CG 4.21Å; L168-A329 HydrophobicContact CB-CB 3.99Å; L168-A329 HydrophobicContact CD1-CB 4.33Å; L168-A329 HydrophobicContact CD2-CB 4.13Å; L168-A329 HydrophobicContact CG-CB 4.39Å
169A98.8Very high98.6Very high4 Ų443.6 Ų43.63%0.03323%0.225CC..Hα-helixtrans-57.1-47176.400000111.4A165 E166 N173 I174 T244 P325A165-A169 PolarHBondContact O-N 3.26Å; E166-A169 WeakPolarHBondContact O-CB 3.35Å; E166-A169 PolarHBondContact O-N 2.81Å; A169-N173 WeakPolarHBondContact O-CA 3.38Å; A169-N173 PolarHBondContact O-N 3.49Å; A169-I174 HydrophobicContact CB-CB 4.4Å; A169-I174 PolarHBondContact O-N 2.92Å; A169-T244 HydrophobicContact CB-CG2 3.95Å; A169-T244 WeakPolarHBondContact CB-OG1 3.29Å; A169-P325 HydrophobicContact CB-CB 3.77Å
170V98.6Very high98.6Very high93 Ų9342.3 Ų42.356%0.56422%0.218SC*.Hα-helixtrans-62.6-51.6174.6174.50000111.1E166 L168 Y172 N173E166-V170 WeakPolarHBondContact O-CG2 3.34Å; E166-V170 PolarHBondContact O-N 3.11Å; L168-V170 VanDerWaalsContact C-N 3.31Å; L168-V170 PolarHBondContact O-N 3.43Å; V170-Y172 VanDerWaalsContact C-N 3.28Å; V170-Y172 PolarHBondContact O-N 2.96Å; V170-N173 PolarHBondContact O-N 2.91Å
171K98.7Very high98.7Very high123 Ų12347.4 Ų47.454%0.53523%0.232SC..Hα-helixtrans-61.3-35.4-175-177.5174.3-179.7177.70113.2N167 L168N167-K171 VanDerWaalsContact O-CB 3.31Å; N167-K171 WeakPolarHBondContact O-CB 3.28Å; N167-K171 PolarHBondContact O-N 2.88Å; L168-K171 PolarHBondContact O-N 3.13Å
172Y98.7Very high98.7Very high48 Ų4846.9 Ų46.919%0.18823%0.229CC..Hα-helixtrans-102.55.9-176.3-73.7-92.8000113.6L168 V170 I174 I294 A329 K332 A333L168-Y172 HydrophobicContact CD2-CD2 3.97Å; L168-Y172 HydrophobicContact CD2-CE2 3.71Å; L168-Y172 WeakPolarHBondContact O-CB 3.3Å; L168-Y172 WeakPolarHBondContact O-CD2 3.48Å; L168-Y172 PolarHBondContact O-N 2.78Å; V170-Y172 VanDerWaalsContact C-N 3.28Å; V170-Y172 PolarHBondContact O-N 2.96Å; Y172-I174 VanDerWaalsContact C-N 3.35Å; Y172-I294 HydrophobicContact CE2-CD1 4.01Å; Y172-A329 HydrophobicContact CD2-CB 3.69Å; Y172-A329 HydrophobicContact CE2-CB 4.12Å; Y172-A329 HydrophobicContact CG-CB 3.92Å; Y172-K332 HydrophobicContact CD1-CD 4.3Å; Y172-K332 HydrophobicContact CD1-CG 4.48Å; Y172-K332 PolarHBondContact O-NZ 2.92Å; Y172-A333 HydrophobicContact CE1-CB 3.98Å
173N98.4Very high98.7Very high133 Ų13346.8 Ų46.871%0.71123%0.228SC*.THydrogen-bonded Turntrans52.750-176.5-58.9-52.3000112.2A169 V170A169-N173 WeakPolarHBondContact O-CA 3.38Å; A169-N173 PolarHBondContact O-N 3.49Å; V170-N173 PolarHBondContact O-N 2.91Å
174I98.8Very high98.7Very high15 Ų1546 Ų468%0.07722%0.224CC..  trans-95.2124.8177.8-59.9160.2000107.6A169 Y172 D178 P325 L328 A329A169-I174 HydrophobicContact CB-CB 4.4Å; A169-I174 PolarHBondContact O-N 2.92Å; Y172-I174 VanDerWaalsContact C-N 3.35Å; I174-D178 HydrophobicContact CG2-CB 4.04Å; I174-P325 VanDerWaalsContact CD1-O 3.25Å; I174-P325 WeakPolarHBondContact CD1-O 3.47Å; I174-P325 HydrophobicContact CG2-CB 4.35Å; I174-L328 HydrophobicContact CD1-CB 3.79Å; I174-L328 HydrophobicContact CG1-CB 4.26Å; I174-L328 HydrophobicContact CG2-CB 4.16Å; I174-L328 HydrophobicContact CG2-CD1 3.63Å; I174-A329 HydrophobicContact CD1-CB 3.85Å
175T98.7Very high98.7Very high70 Ų7049 Ų4943%0.42924%0.236SC..  trans-87.2164.2-177.870.80000111.6E177 D178 C179T175-E177 PolarHBondContact O-N 3.09Å; T175-E177 PolarHBondContact OG1-N 3.17Å; T175-D178 WeakPolarHBondContact CB-OD2 3.22Å; T175-D178 PolarHBondContact N-OD2 2.98Å; T175-D178 PolarHBondContact O-N 3Å; T175-D178 PolarHBondContact OG1-N 3.02Å; T175-D178 VanDerWaalsContact OG1-N 3.13Å; T175-D178 PolarHBondContact OG1-OD2 2.86Å; T175-C179 PolarHBondContact O-N 2.66Å; T175-C179 PolarHBondContact O-SG 3.26Å
176R98.6Very high98.7Very high56 Ų5649 Ų4921%0.21124%0.236CC..Hα-helixtrans-57.8-39.6170.3169.958.5-171.9-76.4-10.4111.9C179 D180 L232 L235 T244 T246R176-C179 WeakPolarHBondContact O-CB 3.45Å; R176-C179 PolarHBondContact O-N 3.39Å; R176-D180 IonicContact CZ-OD1 2.69Å; R176-D180 IonicContact CZ-OD2 3.78Å; R176-D180 VanDerWaalsContact NE-CG 3.26Å; R176-D180 IonicContact NE-OD1 2.7Å; R176-D180 PolarHBondContact NE-OD1 3Å; R176-D180 VanDerWaalsContact NE-OD1 3.11Å; R176-D180 IonicContact NE-OD2 3.88Å; R176-D180 PolarHBondContact NE-OD2 2.73Å; R176-D180 IonicContact NH2-OD2 3.47Å; R176-D180 PolarHBondContact NH2-OD2 2.71Å; R176-D180 PolarHBondContact O-N 2.9Å; R176-L232 PolarHBondContact NH2-O 3.31Å; R176-L235 PolarHBondContact NH1-O 3.22Å; R176-L235 VanDerWaalsContact NH1-O 3.11Å; R176-L235 PolarHBondContact NH2-O 3.4Å; R176-T244 HydrophobicContact CB-CG2 4.37Å; R176-T244 VanDerWaalsContact CD-O 3.31Å; R176-T244 WeakPolarHBondContact CD-O 3.44Å; R176-T246 VanDerWaalsContact NH1-CG2 3.32Å
177E98.6Very high98.7Very high124 Ų12449.2 Ų49.258%0.57924%0.238SC*.Hα-helixtrans-65.2-41.6179-173.3178.5171.400111.5T175 C179 D180 R181T175-E177 PolarHBondContact O-N 3.09Å; T175-E177 PolarHBondContact OG1-N 3.17Å; E177-C179 VanDerWaalsContact C-N 3.28Å; E177-C179 PolarHBondContact O-N 2.81Å; E177-D180 PolarHBondContact O-N 3.2Å; E177-R181 HydrophobicContact CG-CG 4.33Å; E177-R181 WeakPolarHBondContact O-CB 3.35Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.49Å; E177-R181 PolarHBondContact O-N 3.39Å
178D98.7Very high98.7Very high61 Ų6152.4 Ų52.433%0.32625%0.251SS..Hα-helixtrans-57.8-44.1174.7-60.9-45.8000111.2I174 T175 R181 Y182 L328I174-D178 HydrophobicContact CG2-CB 4.04Å; T175-D178 WeakPolarHBondContact CB-OD2 3.22Å; T175-D178 PolarHBondContact N-OD2 2.98Å; T175-D178 PolarHBondContact O-N 3Å; T175-D178 PolarHBondContact OG1-N 3.02Å; T175-D178 VanDerWaalsContact OG1-N 3.13Å; T175-D178 PolarHBondContact OG1-OD2 2.86Å; D178-R181 PolarHBondContact O-N 2.82Å; D178-Y182 WeakPolarHBondContact O-CB 3.38Å; D178-Y182 PolarHBondContact O-N 2.67Å; D178-L328 HydrophobicContact CB-CD1 3.96Å
179C98.9Very high98.7Very high0 Ų053.8 Ų53.80%026%0.256CS..Hα-helixtrans-61.9-45.6178.9-62.50000112T175 R176 E177 Y182 A183 N249 A324 P325T175-C179 PolarHBondContact O-N 2.66Å; T175-C179 PolarHBondContact O-SG 3.26Å; R176-C179 WeakPolarHBondContact O-CB 3.45Å; R176-C179 PolarHBondContact O-N 3.39Å; E177-C179 VanDerWaalsContact C-N 3.28Å; E177-C179 PolarHBondContact O-N 2.81Å; C179-Y182 PolarHBondContact O-N 3.21Å; C179-A183 WeakPolarHBondContact O-CB 3.13Å; C179-A183 PolarHBondContact O-N 3.17Å; C179-N249 HydrophobicContact CB-CB 4.42Å; C179-A324 HydrophobicContact CB-CB 3.84Å; C179-P325 VanDerWaalsContact SG-CD 3.57Å
180D98.8Very high98.7Very high4 Ų453.7 Ų53.72%0.02126%0.255CS..Hα-helixtrans-71.5-37.9-179.1-71.4-3.3000111.5R176 E177 Y182 A183 V184 L229 L232 N249R176-D180 IonicContact CZ-OD1 2.69Å; R176-D180 IonicContact CZ-OD2 3.78Å; R176-D180 VanDerWaalsContact NE-CG 3.26Å; R176-D180 IonicContact NE-OD1 2.7Å; R176-D180 PolarHBondContact NE-OD1 3Å; R176-D180 VanDerWaalsContact NE-OD1 3.11Å; R176-D180 IonicContact NE-OD2 3.88Å; R176-D180 PolarHBondContact NE-OD2 2.73Å; R176-D180 IonicContact NH2-OD2 3.47Å; R176-D180 PolarHBondContact NH2-OD2 2.71Å; R176-D180 PolarHBondContact O-N 2.9Å; E177-D180 PolarHBondContact O-N 3.2Å; D180-Y182 VanDerWaalsContact C-N 3.31Å; D180-Y182 PolarHBondContact O-N 2.94Å; D180-A183 PolarHBondContact O-N 3.08Å; D180-V184 WeakPolarHBondContact O-CG2 3.41Å; D180-V184 PolarHBondContact O-N 3.44Å; D180-L229 HydrophobicContact CB-CD1 3.7Å; D180-L232 HydrophobicContact CB-CB 3.94Å; D180-L232 HydrophobicContact CB-CD1 4.09Å; D180-L232 WeakPolarHBondContact O-CD1 3.35Å; D180-N249 PolarHBondContact OD1-ND2 3.42Å
181R98.8Very high98.7Very high147 Ų14753.1 Ų53.156%0.55525%0.245SC*.Hα-helixtrans-61.2-41.3173.3-72.9-17972.4-132.70.6111.5E177 D178 V184 K185 L229E177-R181 HydrophobicContact CG-CG 4.33Å; E177-R181 WeakPolarHBondContact O-CB 3.35Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.49Å; E177-R181 PolarHBondContact O-N 3.39Å; D178-R181 PolarHBondContact O-N 2.82Å; R181-V184 PolarHBondContact O-N 3.39Å; R181-K185 PolarHBondContact O-N 2.91Å; R181-L229 HydrophobicContact CG-CD1 3.99Å; R181-L229 HydrophobicContact CG-CD2 4.15Å
182Y98.9Very high98.7Very high13 Ų1349.8 Ų49.85%0.05124%0.24CC..Hα-helixtrans-64.3-43.5174.4-178.3-105.4000112.2D178 C179 D180 V184 K185 T186 E321 A324 Y327 L328 N342 I348D178-Y182 WeakPolarHBondContact O-CB 3.38Å; D178-Y182 PolarHBondContact O-N 2.67Å; C179-Y182 PolarHBondContact O-N 3.21Å; D180-Y182 VanDerWaalsContact C-N 3.31Å; D180-Y182 PolarHBondContact O-N 2.94Å; Y182-V184 VanDerWaalsContact C-N 3.33Å; Y182-V184 PolarHBondContact O-N 3.07Å; Y182-K185 WeakPolarHBondContact O-CB 3.24Å; Y182-K185 PolarHBondContact O-N 3.18Å; Y182-K185 VanDerWaalsContact O-N 3.07Å; Y182-T186 PolarHBondContact O-N 2.66Å; Y182-E321 HydrophobicContact CE1-CG 4.13Å; Y182-E321 VanDerWaalsContact OH-CD 3.28Å; Y182-E321 WeakPolarHBondContact OH-CG 3.44Å; Y182-E321 PolarHBondContact OH-OE1 2.99Å; Y182-A324 HydrophobicContact CD1-CB 3.92Å; Y182-Y327 AromaticContact CD1-CD1 3.93Å; Y182-Y327 HydrophobicContact CD1-CD1 3.93Å; Y182-Y327 HydrophobicContact CD1-CE1 4.47Å; Y182-Y327 AromaticContact CD2-CD1 3.79Å; Y182-Y327 HydrophobicContact CD2-CD1 3.79Å; Y182-Y327 AromaticContact CD2-CE1 3.5Å; Y182-Y327 HydrophobicContact CD2-CE1 3.5Å; Y182-Y327 AromaticContact CE1-CD1 3.46Å; Y182-Y327 HydrophobicContact CE1-CD1 3.46Å; Y182-Y327 VanDerWaalsContact CE1-CD1 3.46Å; Y182-Y327 AromaticContact CE1-CE1 4Å; Y182-Y327 HydrophobicContact CE1-CE1 4Å; Y182-Y327 AromaticContact CE1-CG 3.77Å; Y182-Y327 HydrophobicContact CE1-CG 3.77Å; Y182-Y327 AromaticContact CE2-CD1 3.35Å; Y182-Y327 HydrophobicContact CE2-CD1 3.35Å; Y182-Y327 AromaticContact CE2-CE1 2.93Å; Y182-Y327 HydrophobicContact CE2-CE1 2.93Å; Y182-Y327 HydrophobicContact CE2-CE2 4.27Å; Y182-Y327 HydrophobicContact CE2-CG 4.18Å; Y182-Y327 AromaticContact CE2-CZ 3.43Å; Y182-Y327 VanDerWaalsContact CE2-CZ 3.43Å; Y182-Y327 HydrophobicContact CG-CD1 4.06Å; Y182-Y327 HydrophobicContact CG-CE1 4.23Å; Y182-Y327 AromaticContact CZ-CD1 3.12Å; Y182-Y327 AromaticContact CZ-CD2 3.95Å; Y182-Y327 AromaticContact CZ-CE1 3.19Å; Y182-Y327 AromaticContact CZ-CE2 3.96Å; Y182-Y327 AromaticContact CZ-CG 3.53Å; Y182-Y327 AromaticContact CZ-CZ 3.58Å; Y182-Y327 WeakPolarHBondContact OH-CD1 3.24Å; Y182-Y327 VanDerWaalsContact OH-CD2 3.26Å; Y182-Y327 WeakPolarHBondContact OH-CD2 3.35Å; Y182-Y327 WeakPolarHBondContact OH-CE1 3.4Å; Y182-Y327 VanDerWaalsContact OH-CE2 3.22Å; Y182-Y327 WeakPolarHBondContact OH-CE2 3.36Å; Y182-Y327 VanDerWaalsContact OH-CG 3.32Å; Y182-Y327 VanDerWaalsContact OH-CZ 3.25Å; Y182-L328 HydrophobicContact CD2-CD2 4.41Å; Y182-L328 HydrophobicContact CG-CD2 4.41Å; Y182-N342 PolarHBondContact OH-ND2 2.74Å; Y182-I348 HydrophobicContact CD1-CD1 3.89Å; Y182-I348 HydrophobicContact CE1-CD1 3.83Å
183A98.8Very high98.7Very high0 Ų047.5 Ų47.50%023%0.232CC..Hα-helixtrans-61.5-37176.900000113C179 D180 T186 Q187 L232 G248 N249 I348C179-A183 WeakPolarHBondContact O-CB 3.13Å; C179-A183 PolarHBondContact O-N 3.17Å; D180-A183 PolarHBondContact O-N 3.08Å; A183-T186 VanDerWaalsContact O-CG2 3.28Å; A183-T186 WeakPolarHBondContact O-CG2 3.41Å; A183-Q187 VanDerWaalsContact O-CG 3.25Å; A183-Q187 WeakPolarHBondContact O-CG 3.28Å; A183-Q187 PolarHBondContact O-N 3.08Å; A183-L232 HydrophobicContact CB-CD1 3.65Å; A183-G248 WeakPolarHBondContact CB-O 3.34Å; A183-N249 HydrophobicContact CB-CB 3.8Å; A183-I348 HydrophobicContact CB-CG2 4.07Å
184V98.8Very high98.7Very high17 Ų1742.8 Ų42.810%0.10320%0.204CC..Hα-helixtrans-63.5-47.8169.6174.70000110.6D180 R181 Y182 T186 Q187 Q188 T227 L229 L232D180-V184 WeakPolarHBondContact O-CG2 3.41Å; D180-V184 PolarHBondContact O-N 3.44Å; R181-V184 PolarHBondContact O-N 3.39Å; Y182-V184 VanDerWaalsContact C-N 3.33Å; Y182-V184 PolarHBondContact O-N 3.07Å; V184-T186 PolarHBondContact O-N 2.73Å; V184-Q187 PolarHBondContact O-N 2.9Å; V184-Q188 HydrophobicContact CG1-CG 4.21Å; V184-Q188 WeakPolarHBondContact O-CG 3.43Å; V184-Q188 PolarHBondContact O-N 3.47Å; V184-T227 HydrophobicContact CG2-CG2 4.25Å; V184-L229 HydrophobicContact CG2-CB 4.28Å; V184-L232 HydrophobicContact CG2-CD1 3.73Å
185K98.6Very high98.7Very high62 Ų6247.2 Ų47.227%0.2723%0.228SC..Hα-helixtrans-56.9-46.1-178.3-172.3177.6-174.8-177.50112.1R181 Y182 Q188 R189 E339R181-K185 PolarHBondContact O-N 2.91Å; Y182-K185 WeakPolarHBondContact O-CB 3.24Å; Y182-K185 PolarHBondContact O-N 3.18Å; Y182-K185 VanDerWaalsContact O-N 3.07Å; K185-Q188 PolarHBondContact O-N 3.42Å; K185-R189 WeakPolarHBondContact O-CG 3.3Å; K185-R189 PolarHBondContact O-N 3.42Å; K185-E339 IonicContact NZ-OE1 4Å; K185-E339 PolarHBondContact NZ-OE1 2.95Å
186T98.8Very high98.7Very high1 Ų146.5 Ų46.51%0.00623%0.229CC..Hα-helixtrans-67.6-38.1178.5-175.50000112.9Y182 A183 V184 Q188 R189 C190 E321 G345 G346 I348Y182-T186 PolarHBondContact O-N 2.66Å; A183-T186 VanDerWaalsContact O-CG2 3.28Å; A183-T186 WeakPolarHBondContact O-CG2 3.41Å; V184-T186 PolarHBondContact O-N 2.73Å; T186-Q188 PolarHBondContact O-N 2.76Å; T186-R189 PolarHBondContact O-N 3.34Å; T186-C190 VanDerWaalsContact O-CB 3.29Å; T186-C190 WeakPolarHBondContact O-CB 3.44Å; T186-C190 PolarHBondContact O-N 3.28Å; T186-E321 VanDerWaalsContact OG1-CD 3.3Å; T186-E321 PolarHBondContact OG1-OE1 2.89Å; T186-E321 PolarHBondContact OG1-OE2 2.73Å; T186-G345 VanDerWaalsContact OG1-CA 3.3Å; T186-G345 WeakPolarHBondContact OG1-CA 3.41Å; T186-G346 PolarHBondContact OG1-N 2.66Å; T186-I348 HydrophobicContact CG2-CB 3.75Å; T186-I348 HydrophobicContact CG2-CD1 4.41Å; T186-I348 HydrophobicContact CG2-CG2 3.8Å
187Q98.8Very high98.7Very high10 Ų1044.8 Ų44.85%0.04723%0.228CC..Hα-helixtrans-62.3-42.5172.7-68.2-72.5100112.1A183 V184 C190 K191 T227 I348A183-Q187 VanDerWaalsContact O-CG 3.25Å; A183-Q187 WeakPolarHBondContact O-CG 3.28Å; A183-Q187 PolarHBondContact O-N 3.08Å; V184-Q187 PolarHBondContact O-N 2.9Å; Q187-C190 PolarHBondContact O-N 3.02Å; Q187-K191 WeakPolarHBondContact O-CB 3.44Å; Q187-K191 PolarHBondContact O-N 3.06Å; Q187-T227 HydrophobicContact CG-CG2 4.38Å; Q187-I348 PolarHBondContact NE2-O 3.04Å
188Q98.8Very high98.7Very high119 Ų11942.4 Ų42.456%0.55622%0.215SC*.Hα-helixtrans-64.5-44.5176.6-72.3173.6-14.200112.1V184 K185 T186 K191 A192V184-Q188 HydrophobicContact CG1-CG 4.21Å; V184-Q188 WeakPolarHBondContact O-CG 3.43Å; V184-Q188 PolarHBondContact O-N 3.47Å; K185-Q188 PolarHBondContact O-N 3.42Å; T186-Q188 PolarHBondContact O-N 2.76Å; Q188-K191 PolarHBondContact O-N 2.88Å; Q188-A192 WeakPolarHBondContact O-CB 3.43Å; Q188-A192 PolarHBondContact O-N 3.29Å
189R98.8Very high98.7Very high30 Ų3039.7 Ų39.711%0.11320%0.2CC..Hα-helixtrans-62.6-44.1176.2-75.7179165.6-177.6-5112K185 T186 K191 A192 A193 P338 E339 T341 N342 V343K185-R189 WeakPolarHBondContact O-CG 3.3Å; K185-R189 PolarHBondContact O-N 3.42Å; T186-R189 PolarHBondContact O-N 3.34Å; R189-K191 PolarHBondContact O-N 3.11Å; R189-A192 PolarHBondContact O-N 2.94Å; R189-A193 VanDerWaalsContact O-CB 3.31Å; R189-A193 WeakPolarHBondContact O-CB 3.04Å; R189-A193 PolarHBondContact O-N 3.45Å; R189-P338 PolarHBondContact NH1-O 2.91Å; R189-P338 VanDerWaalsContact NH1-O 3.15Å; R189-P338 PolarHBondContact NH2-O 2.97Å; R189-E339 IonicContact NH2-OE1 3.49Å; R189-E339 PolarHBondContact NH2-OE1 3.05Å; R189-E339 IonicContact NH2-OE2 2.66Å; R189-T341 PolarHBondContact NH1-O 3.16Å; R189-N342 VanDerWaalsContact CD-O 3.3Å; R189-N342 WeakPolarHBondContact CD-O 3.35Å; R189-N342 PolarHBondContact NH1-O 2.95Å; R189-V343 WeakPolarHBondContact CD-O 3.5Å
190C98.8Very high98.7Very high1 Ų145.4 Ų45.41%0.00723%0.23CC..Hα-helixtrans-58.8-47.5175177.60000111.3T186 Q187 A192 A193 Y194 N344 A349 I350T186-C190 VanDerWaalsContact O-CB 3.29Å; T186-C190 WeakPolarHBondContact O-CB 3.44Å; T186-C190 PolarHBondContact O-N 3.28Å; Q187-C190 PolarHBondContact O-N 3.02Å; C190-A192 PolarHBondContact O-N 3.35Å; C190-A193 PolarHBondContact O-N 2.94Å; C190-Y194 WeakPolarHBondContact O-CD2 3.34Å; C190-Y194 PolarHBondContact O-N 3.33Å; C190-N344 VanDerWaalsContact CA-O 3.28Å; C190-N344 WeakPolarHBondContact CA-O 3.46Å; C190-N344 PolarHBondContact N-O 2.76Å; C190-A349 HydrophobicContact CB-CB 3.61Å; C190-I350 VanDerWaalsContact SG-CG2 3.57Å
191K98.6Very high98.7Very high81 Ų8147.6 Ų47.635%0.35225%0.25SC..Hα-helixtrans-59-48.5176.1178.456.1163.381.40112Q187 Q188 R189 A193 Y194 D195 P225Q187-K191 WeakPolarHBondContact O-CB 3.44Å; Q187-K191 PolarHBondContact O-N 3.06Å; Q188-K191 PolarHBondContact O-N 2.88Å; R189-K191 PolarHBondContact O-N 3.11Å; K191-A193 VanDerWaalsContact C-N 3.35Å; K191-A193 PolarHBondContact O-N 2.76Å; K191-Y194 PolarHBondContact O-N 3.39Å; K191-D195 IonicContact NZ-OD1 3.66Å; K191-D195 PolarHBondContact NZ-OD1 3.37Å; K191-D195 IonicContact NZ-OD2 2.84Å; K191-D195 PolarHBondContact NZ-OD2 2.74Å; K191-D195 VanDerWaalsContact O-CG 3.25Å; K191-D195 PolarHBondContact O-N 3.12Å; K191-P225 HydrophobicContact CB-CB 4.12Å; K191-P225 HydrophobicContact CD-CB 3.73Å; K191-P225 HydrophobicContact CG-CB 4.01Å
192A98.8Very high98.7Very high53 Ų5340.6 Ų40.644%0.43822%0.223SC..Hα-helixtrans-62-42.1179.700000112.1Q188 R189 C190 Y194 D195 A196Q188-A192 WeakPolarHBondContact O-CB 3.43Å; Q188-A192 PolarHBondContact O-N 3.29Å; R189-A192 PolarHBondContact O-N 2.94Å; C190-A192 PolarHBondContact O-N 3.35Å; A192-Y194 VanDerWaalsContact C-N 3.34Å; A192-Y194 PolarHBondContact O-N 3.14Å; A192-D195 PolarHBondContact O-N 3.22Å; A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.47Å; A192-A196 PolarHBondContact O-N 3.28Å
193A98.8Very high98.7Very high1 Ų140.6 Ų40.61%0.00822%0.224CC..Hα-helixtrans-64.9-37.517700000112.4R189 C190 K191 G197 Y198 F199 N344R189-A193 VanDerWaalsContact O-CB 3.31Å; R189-A193 WeakPolarHBondContact O-CB 3.04Å; R189-A193 PolarHBondContact O-N 3.45Å; C190-A193 PolarHBondContact O-N 2.94Å; K191-A193 VanDerWaalsContact C-N 3.35Å; K191-A193 PolarHBondContact O-N 2.76Å; A193-G197 PolarHBondContact O-N 3.1Å; A193-G197 VanDerWaalsContact O-N 3.08Å; A193-Y198 HydrophobicContact CB-CD2 3.97Å; A193-Y198 HydrophobicContact CB-CG 4.49Å; A193-Y198 PolarHBondContact O-N 2.98Å; A193-F199 HydrophobicContact CB-CD2 4.3Å; A193-F199 HydrophobicContact CB-CE2 3.56Å; A193-F199 HydrophobicContact CB-CZ 3.77Å; A193-N344 HydrophobicContact CB-CB 3.63Å
194Y98.4Very high98.7Very high34 Ų3440.8 Ų40.813%0.13323%0.225CC..Hα-helixtrans-64.7-46.8172.4-94.7-60.1000113C190 K191 A192 A196 G197 F199 K219 D220 P223C190-Y194 WeakPolarHBondContact O-CD2 3.34Å; C190-Y194 PolarHBondContact O-N 3.33Å; K191-Y194 PolarHBondContact O-N 3.39Å; A192-Y194 VanDerWaalsContact C-N 3.34Å; A192-Y194 PolarHBondContact O-N 3.14Å; Y194-A196 VanDerWaalsContact C-N 3.27Å; Y194-A196 PolarHBondContact O-N 3.01Å; Y194-G197 PolarHBondContact O-N 3.12Å; Y194-G197 VanDerWaalsContact O-N 3.15Å; Y194-F199 AromaticContact CD1-CD2 3.73Å; Y194-F199 HydrophobicContact CD1-CD2 3.73Å; Y194-F199 HydrophobicContact CD1-CE2 4.38Å; Y194-F199 AromaticContact CD2-CD2 3.95Å; Y194-F199 HydrophobicContact CD2-CD2 3.95Å; Y194-F199 AromaticContact CD2-CE2 3.75Å; Y194-F199 HydrophobicContact CD2-CE2 3.75Å; Y194-F199 HydrophobicContact CE1-CB 4.41Å; Y194-F199 AromaticContact CE1-CD2 3.65Å; Y194-F199 HydrophobicContact CE1-CD2 3.65Å; Y194-F199 HydrophobicContact CE1-CE2 4.38Å; Y194-F199 HydrophobicContact CE1-CG 4.39Å; Y194-F199 AromaticContact CE2-CD2 3.9Å; Y194-F199 HydrophobicContact CE2-CD2 3.9Å; Y194-F199 AromaticContact CE2-CE2 3.78Å; Y194-F199 HydrophobicContact CE2-CE2 3.78Å; Y194-F199 AromaticContact CG-CD2 3.85Å; Y194-F199 HydrophobicContact CG-CD2 3.85Å; Y194-F199 HydrophobicContact CG-CE2 4.05Å; Y194-F199 AromaticContact CZ-CD2 3.71Å; Y194-K219 HydrophobicContact CD1-CG 4.3Å; Y194-K219 HydrophobicContact CE1-CB 4.14Å; Y194-K219 HydrophobicContact CE1-CG 4.01Å; Y194-D220 HydrophobicContact CE2-CB 4.32Å; Y194-D220 VanDerWaalsContact OH-CB 3.23Å; Y194-D220 WeakPolarHBondContact OH-CB 3.48Å; Y194-D220 PolarHBondContact OH-N 3Å; Y194-D220 PolarHBondContact OH-OD2 3.2Å; Y194-P223 HydrophobicContact CE2-CG 4.35Å
195D98.5Very high98.7Very high108 Ų10842.8 Ų42.858%0.57824%0.239SC*.Hα-helixtrans-64-36.5180-66.2-21.7000111.8K191 A192 G197K191-D195 IonicContact NZ-OD1 3.66Å; K191-D195 PolarHBondContact NZ-OD1 3.37Å; K191-D195 IonicContact NZ-OD2 2.84Å; K191-D195 PolarHBondContact NZ-OD2 2.74Å; K191-D195 VanDerWaalsContact O-CG 3.25Å; K191-D195 PolarHBondContact O-N 3.12Å; A192-D195 PolarHBondContact O-N 3.22Å; D195-G197 VanDerWaalsContact C-N 3.29Å
196A98.6Very high98.6Very high54 Ų5439.9 Ų39.945%0.44623%0.226SC..THydrogen-bonded Turntrans-82.8-3.4177.700000113.7A192 Y194 Y198A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.47Å; A192-A196 PolarHBondContact O-N 3.28Å; Y194-A196 VanDerWaalsContact C-N 3.27Å; Y194-A196 PolarHBondContact O-N 3.01Å; A196-Y198 HydrophobicContact CB-CD1 3.74Å; A196-Y198 HydrophobicContact CB-CD2 4.33Å; A196-Y198 HydrophobicContact CB-CE1 3.34Å; A196-Y198 HydrophobicContact CB-CE2 3.98Å; A196-Y198 HydrophobicContact CB-CG 4.23Å; A196-Y198 VanDerWaalsContact CB-CZ 3.47Å; A196-Y198 WeakPolarHBondContact O-CD1 3.23Å; A196-Y198 PolarHBondContact O-N 2.85Å
197G98.6Very high98.5Very high20 Ų2045 Ų4521%0.20625%0.25CC..THydrogen-bonded Turntrans72.122.3177.100000115A193 Y194 D195 F199 N200A193-G197 PolarHBondContact O-N 3.1Å; A193-G197 VanDerWaalsContact O-N 3.08Å; Y194-G197 PolarHBondContact O-N 3.12Å; Y194-G197 VanDerWaalsContact O-N 3.15Å; D195-G197 VanDerWaalsContact C-N 3.29Å; G197-F199 PolarHBondContact O-N 2.86Å; G197-N200 WeakPolarHBondContact CA-ND2 3.46Å; G197-N200 VanDerWaalsContact O-CB 3.26Å; G197-N200 WeakPolarHBondContact O-CB 3.46Å; G197-N200 PolarHBondContact O-N 2.89Å; G197-N200 VanDerWaalsContact O-N 3.08Å; G197-N200 PolarHBondContact O-ND2 2.9Å
198Y98.8Very high98.4Very high74 Ų7445 Ų4529%0.2925%0.25SC..THydrogen-bonded Turntrans-66.7-24-175.9-62.1-13.3000113.1A193 A196 N344A193-Y198 HydrophobicContact CB-CD2 3.97Å; A193-Y198 HydrophobicContact CB-CG 4.49Å; A193-Y198 PolarHBondContact O-N 2.98Å; A196-Y198 HydrophobicContact CB-CD1 3.74Å; A196-Y198 HydrophobicContact CB-CD2 4.33Å; A196-Y198 HydrophobicContact CB-CE1 3.34Å; A196-Y198 HydrophobicContact CB-CE2 3.98Å; A196-Y198 HydrophobicContact CB-CG 4.23Å; A196-Y198 VanDerWaalsContact CB-CZ 3.47Å; A196-Y198 WeakPolarHBondContact O-CD1 3.23Å; A196-Y198 PolarHBondContact O-N 2.85Å; Y198-N344 WeakPolarHBondContact CD2-OD1 3.45Å
199F98.8Very high97.9Very high4 Ų447.6 Ų47.62%0.01826%0.26CS..THydrogen-bonded Turntrans-84-4.3175.1-57.2-60.3000114.2A193 Y194 G197 A201 E202 M203 N344 H364A193-F199 HydrophobicContact CB-CD2 4.3Å; A193-F199 HydrophobicContact CB-CE2 3.56Å; A193-F199 HydrophobicContact CB-CZ 3.77Å; Y194-F199 AromaticContact CD1-CD2 3.73Å; Y194-F199 HydrophobicContact CD1-CD2 3.73Å; Y194-F199 HydrophobicContact CD1-CE2 4.38Å; Y194-F199 AromaticContact CD2-CD2 3.95Å; Y194-F199 HydrophobicContact CD2-CD2 3.95Å; Y194-F199 AromaticContact CD2-CE2 3.75Å; Y194-F199 HydrophobicContact CD2-CE2 3.75Å; Y194-F199 HydrophobicContact CE1-CB 4.41Å; Y194-F199 AromaticContact CE1-CD2 3.65Å; Y194-F199 HydrophobicContact CE1-CD2 3.65Å; Y194-F199 HydrophobicContact CE1-CE2 4.38Å; Y194-F199 HydrophobicContact CE1-CG 4.39Å; Y194-F199 AromaticContact CE2-CD2 3.9Å; Y194-F199 HydrophobicContact CE2-CD2 3.9Å; Y194-F199 AromaticContact CE2-CE2 3.78Å; Y194-F199 HydrophobicContact CE2-CE2 3.78Å; Y194-F199 AromaticContact CG-CD2 3.85Å; Y194-F199 HydrophobicContact CG-CD2 3.85Å; Y194-F199 HydrophobicContact CG-CE2 4.05Å; Y194-F199 AromaticContact CZ-CD2 3.71Å; G197-F199 PolarHBondContact O-N 2.86Å; F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 2.63Å; F199-E202 HydrophobicContact CB-CG 4.26Å; F199-E202 WeakPolarHBondContact O-CG 3.39Å; F199-E202 PolarHBondContact O-N 2.94Å; F199-M203 HydrophobicContact CB-CE 4.15Å; F199-M203 WeakPolarHBondContact O-CB 3.4Å; F199-M203 PolarHBondContact O-N 2.94Å; F199-N344 HydrophobicContact CE1-CB 4.36Å; F199-N344 HydrophobicContact CZ-CB 4.17Å; F199-H364 AromaticContact CD1-CE1 3.97Å; F199-H364 AromaticContact CD1-ND1 3.83Å; F199-H364 AromaticContact CE1-CE1 3.62Å; F199-H364 AromaticContact CE1-ND1 3.72Å
200N98.8Very high97.6Very high120 Ų12048 Ų4864%0.64227%0.265SS*.THydrogen-bonded Turntrans-63-39.2-172.9-68.5-9000112.3G197G197-N200 WeakPolarHBondContact CA-ND2 3.46Å; G197-N200 VanDerWaalsContact O-CB 3.26Å; G197-N200 WeakPolarHBondContact O-CB 3.46Å; G197-N200 PolarHBondContact O-N 2.89Å; G197-N200 VanDerWaalsContact O-N 3.08Å; G197-N200 PolarHBondContact O-ND2 2.9Å
201A98.4Very high97.1Very high51 Ų5158.7 Ų58.742%0.42131%0.312SS..THydrogen-bonded Turntrans-70.6-32.3-177.400000112.9K13 F199 H367K13-A201 PolarHBondContact NZ-O 2.92Å; F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 2.63Å; A201-H367 HydrophobicContact CB-CB 4.19Å
202E98.7Very high96.6Very high0 Ų063.9 Ų63.90%033%0.334CS..THydrogen-bonded Turntrans-86.8-25.1179.364.8-175.7-114.600113.4K13 R14 F199 A204 H364K13-E202 CarbonylContact C-O 3.54Å; K13-E202 VanDerWaalsContact CA-O 3.24Å; K13-E202 WeakPolarHBondContact CA-O 3.35Å; K13-E202 VanDerWaalsContact CE-O 3.31Å; K13-E202 WeakPolarHBondContact CE-O 3.39Å; R14-E202 HydrophobicContact CG-CB 4.23Å; R14-E202 HydrophobicContact CG-CG 4.15Å; R14-E202 IonicContact CZ-OE1 3.25Å; R14-E202 PolarHBondContact N-O 3.28Å; R14-E202 IonicContact NE-OE1 3.26Å; R14-E202 PolarHBondContact NE-OE1 3.4Å; R14-E202 IonicContact NH2-OE1 2.68Å; F199-E202 HydrophobicContact CB-CG 4.26Å; F199-E202 WeakPolarHBondContact O-CG 3.39Å; F199-E202 PolarHBondContact O-N 2.94Å; E202-A204 PolarHBondContact O-N 3.46Å; E202-H364 IonicContact OE1-ND1 3.04Å; E202-H364 VanDerWaalsContact OE2-CA 3.29Å; E202-H364 WeakPolarHBondContact OE2-CA 3.49Å; E202-H364 WeakPolarHBondContact OE2-CB 3.32Å; E202-H364 IonicContact OE2-CE1 3.32Å; E202-H364 IonicContact OE2-CG 3.03Å; E202-H364 IonicContact OE2-ND1 3.99Å; E202-H364 PolarHBondContact OE2-ND1 3.27Å
203M98.8Very high96.4Very high13 Ų1363 Ų636%0.06433%0.331CS..BIsolated β-bridgetrans-67.7132.5-169.5-164.863.863.500112.9K13 R14 P16 F199 P205 Q218K13-M203 WeakPolarHBondContact CE-O 3.46Å; K13-M203 PolarHBondContact NZ-O 3.46Å; R14-M203 VanDerWaalsContact NH1-CE 3.34Å; R14-M203 CarbonylContact O-C 3.53Å; P16-M203 HydrophobicContact CB-SD 4.04Å; P16-M203 VanDerWaalsContact N-SD 3.4Å; F199-M203 HydrophobicContact CB-CE 4.15Å; F199-M203 WeakPolarHBondContact O-CB 3.4Å; F199-M203 PolarHBondContact O-N 2.94Å; M203-P205 WeakPolarHBondContact O-CD 3.24Å; M203-Q218 WeakPolarHBondContact CE-O 3.45Å
204A98.7Very high96.1Very high3 Ų369.8 Ų69.83%0.02536%0.36CS..  trans-109.993.3167.900000108K13 R14 P16 A39 E202K13-A204 HydrophobicContact CB-CB 4.45Å; R14-A204 WeakPolarHBondContact O-CB 3.41Å; R14-A204 PolarHBondContact O-N 2.85Å; P16-A204 WeakPolarHBondContact CD-O 3.4Å; A39-A204 HydrophobicContact CB-CB 3.42Å; A39-A204 VanDerWaalsContact CB-CB 3.42Å; E202-A204 PolarHBondContact O-N 3.46Å
205P98.1Very high96Very high60 Ų6072.4 Ų72.439%0.3937%0.373SS..  trans-51141.7177.3-32.539.6000113.4M203 M217 Q218M203-P205 WeakPolarHBondContact O-CD 3.24Å; P205-M217 WeakPolarHBondContact CA-O 3.43Å; P205-Q218 HydrophobicContact CB-CG 3.77Å; P205-Q218 HydrophobicContact CG-CG 3.79Å
206V98Very high95.9Very high0 Ų070.7 Ų70.70%037%0.37CS..EExtended strand (participates in β ladder)trans-120.4133.5177.31790000109.2T15 P16 L24 L27 H35 V208 M217T15-V206 HydrophobicContact CG2-CG2 4.04Å; P16-V206 HydrophobicContact CG-CB 4.43Å; P16-V206 HydrophobicContact CG-CG2 4.27Å; L24-V206 HydrophobicContact CD2-CB 4.34Å; L24-V206 HydrophobicContact CD2-CG1 3.99Å; L27-V206 HydrophobicContact CD1-CG1 3.55Å; H35-V206 HydrophobicContact CB-CG2 4.31Å; V206-V208 HydrophobicContact CG1-CG1 4.21Å; V206-V208 PolarHBondContact O-N 3.48Å; V206-M217 PolarHBondContact N-O 2.82Å; V206-M217 WeakPolarHBondContact O-CB 3.37Å; V206-M217 PolarHBondContact O-N 3.27Å
207E96.9Very high95.8Very high110 Ų11068.6 Ų68.651%0.51435%0.351SS..EExtended strand (participates in β ladder)trans-75.4123.4171.1-172.4-177.789.500109.4K214 E215E207-K214 HydrophobicContact CG-CB 4.1Å; E207-K214 HydrophobicContact CG-CG 4.37Å; E207-K214 VanDerWaalsContact OE1-CD 3.27Å; E207-K214 WeakPolarHBondContact OE1-CD 2.91Å; E207-K214 WeakPolarHBondContact OE1-CE 3.36Å; E207-K214 IonicContact OE1-NZ 2.67Å; E207-K214 PolarHBondContact OE1-NZ 3.5Å; E207-K214 IonicContact OE2-NZ 3.97Å; E207-E215 WeakPolarHBondContact CA-O 3.26Å
208V94.9Very high95.7Very high8 Ų872.7 Ų72.75%0.04837%0.365CS..EExtended strand (participates in β ladder)trans-121.7155.6-178.9-61.70000110.9L23 L24 V206 T210 K214 E215 M217L23-V208 HydrophobicContact CB-CB 4.44Å; L23-V208 HydrophobicContact CB-CG1 4.27Å; L23-V208 HydrophobicContact CB-CG2 4.49Å; L23-V208 HydrophobicContact CD1-CG2 4.45Å; L23-V208 HydrophobicContact CD2-CG2 4.26Å; L24-V208 HydrophobicContact CD2-CG1 3.77Å; V206-V208 HydrophobicContact CG1-CG1 4.21Å; V206-V208 PolarHBondContact O-N 3.48Å; V208-T210 HydrophobicContact CG2-CG2 4.3Å; V208-K214 WeakPolarHBondContact O-CA 3.47Å; V208-E215 WeakPolarHBondContact CG2-O 3.44Å; V208-E215 PolarHBondContact N-O 3.44Å; V208-E215 PolarHBondContact O-N 2.94Å; V208-M217 HydrophobicContact CG1-CB 3.85Å; V208-M217 HydrophobicContact CG1-SD 4.16Å; V208-M217 HydrophobicContact CG2-CB 3.95Å
209K89.8Confident95.7Very high175 Ų17575.9 Ų75.976%0.76138%0.38SS*.EExtended strand (participates in β ladder)trans-91.4121.9174.5-65.9177.5-176.3171.20109.7
210T91.4Very high95.6Very high38 Ų3876.3 Ų76.323%0.23338%0.383CS..EExtended strand (participates in β ladder)trans-113.3171.6171.282.90000109.9L23 V208 K212 G213 E215L23-T210 HydrophobicContact CD2-CG2 4.37Å; V208-T210 HydrophobicContact CG2-CG2 4.3Å; T210-K212 PolarHBondContact O-N 2.93Å; T210-K212 VanDerWaalsContact O-N 3.11Å; T210-K212 PolarHBondContact OG1-N 2.85Å; T210-G213 PolarHBondContact N-O 3.37Å; T210-G213 PolarHBondContact O-N 2.82Å; T210-G213 VanDerWaalsContact O-N 3.1Å; T210-G213 PolarHBondContact OG1-O 2.9Å; T210-E215 HydrophobicContact CG2-CB 3.92Å; T210-E215 VanDerWaalsContact CG2-CD 3.49Å; T210-E215 HydrophobicContact CG2-CG 3.89Å; T210-E215 PolarHBondContact OG1-OE1 3.01Å
211K88.8Confident95.6Very high225 Ų22574.1 Ų74.198%0.97837%0.369SS*.THydrogen-bonded Turntrans-59.7-19.4171.6-67.2-177.3179.2178.50113
212K88.7Confident95.6Very high191 Ų19173.3 Ų73.383%0.8336%0.356SS*.THydrogen-bonded Turntrans-95.5-3179.8-61.6-179.3179.7177.90113.2T210T210-K212 PolarHBondContact O-N 2.93Å; T210-K212 VanDerWaalsContact O-N 3.11Å; T210-K212 PolarHBondContact OG1-N 2.85Å
213G93.1Very high95.6Very high35 Ų3574.7 Ų74.736%0.36137%0.365SS..EExtended strand (participates in β ladder)trans119.4-153.1-17800000112.5T210T210-G213 PolarHBondContact N-O 3.37Å; T210-G213 PolarHBondContact O-N 2.82Å; T210-G213 VanDerWaalsContact O-N 3.1Å; T210-G213 PolarHBondContact OG1-O 2.9Å
214K94Very high95.6Very high143 Ų14379.2 Ų79.262%0.62238%0.384SS*.EExtended strand (participates in β ladder)trans-79.7130177.2-70.7173.2163-141.50110E207 V208E207-K214 HydrophobicContact CG-CB 4.1Å; E207-K214 HydrophobicContact CG-CG 4.37Å; E207-K214 VanDerWaalsContact OE1-CD 3.27Å; E207-K214 WeakPolarHBondContact OE1-CD 2.91Å; E207-K214 WeakPolarHBondContact OE1-CE 3.36Å; E207-K214 IonicContact OE1-NZ 2.67Å; E207-K214 PolarHBondContact OE1-NZ 3.5Å; E207-K214 IonicContact OE2-NZ 3.97Å; V208-K214 WeakPolarHBondContact O-CA 3.47Å
215E95.1Very high95.4Very high88 Ų8882.1 Ų82.141%0.41140%0.402SS..EExtended strand (participates in β ladder)trans-131.8151176-68.3179.4-148.700110.4E207 V208 T210E207-E215 WeakPolarHBondContact CA-O 3.26Å; V208-E215 WeakPolarHBondContact CG2-O 3.44Å; V208-E215 PolarHBondContact N-O 3.44Å; V208-E215 PolarHBondContact O-N 2.94Å; T210-E215 HydrophobicContact CG2-CB 3.92Å; T210-E215 VanDerWaalsContact CG2-CD 3.49Å; T210-E215 HydrophobicContact CG2-CG 3.89Å; T210-E215 PolarHBondContact OG1-OE1 3.01Å
216S96.5Very high95.3Very high72 Ų7286.7 Ų86.750%0.50342%0.419SS..EExtended strand (participates in β ladder)trans-87.3110.5174.3-173.50000109.7Q218S216-Q218 PolarHBondContact OG-NE2 3.27Å
217M97.8Very high95.3Very high11 Ų1187.6 Ų87.65%0.05442%0.424CS..EExtended strand (participates in β ladder)trans-78.5120.6171.3-171.3-176.4-174.500109.4P16 L23 L24 P205 V206 V208 K219 E221P16-M217 HydrophobicContact CB-CE 4Å; P16-M217 HydrophobicContact CB-CG 3.9Å; P16-M217 HydrophobicContact CB-SD 4.07Å; P16-M217 HydrophobicContact CG-CB 4.13Å; P16-M217 HydrophobicContact CG-CE 4.42Å; P16-M217 HydrophobicContact CG-CG 3.69Å; P16-M217 HydrophobicContact CG-SD 3.83Å; L23-M217 HydrophobicContact CB-CE 4.25Å; L23-M217 HydrophobicContact CB-SD 3.82Å; L23-M217 HydrophobicContact CD1-CE 4.02Å; L23-M217 HydrophobicContact CD1-CG 4.23Å; L23-M217 HydrophobicContact CD1-SD 3.93Å; L24-M217 HydrophobicContact CD1-SD 4.36Å; L24-M217 HydrophobicContact CD2-SD 3.76Å; L24-M217 HydrophobicContact CG-SD 3.92Å; P205-M217 WeakPolarHBondContact CA-O 3.43Å; V206-M217 PolarHBondContact N-O 2.82Å; V206-M217 WeakPolarHBondContact O-CB 3.37Å; V206-M217 PolarHBondContact O-N 3.27Å; V208-M217 HydrophobicContact CG1-CB 3.85Å; V208-M217 HydrophobicContact CG1-SD 4.16Å; V208-M217 HydrophobicContact CG2-CB 3.95Å; M217-K219 WeakPolarHBondContact CE-O 3.29Å; M217-E221 HydrophobicContact CE-CB 3.71Å
218Q96.3Very high95.4Very high105 Ų10584.8 Ų84.849%0.49142%0.415SS..  trans-133.62.7-178.3-52.1-168.8-0.100113M203 P205 S216M203-Q218 WeakPolarHBondContact CE-O 3.45Å; P205-Q218 HydrophobicContact CB-CG 3.77Å; P205-Q218 HydrophobicContact CG-CG 3.79Å; S216-Q218 PolarHBondContact OG-NE2 3.27Å
219K97.3Very high95.5Very high142 Ų14287.1 Ų87.162%0.61743%0.427SS*.SBendtrans-127.7146.1179.5-63.8-173.9178.3-175.20108.4Y194 M217Y194-K219 HydrophobicContact CD1-CG 4.3Å; Y194-K219 HydrophobicContact CE1-CB 4.14Å; Y194-K219 HydrophobicContact CE1-CG 4.01Å; M217-K219 WeakPolarHBondContact CE-O 3.29Å
220D98.8Very high95.9Very high13 Ų1384.6 Ų84.67%0.0742%0.418CS..  trans-62.7138.8172.2-65.1-31.4000108.8R14 P16 F17 Y194 P223 I350R14-D220 IonicContact CZ-OD1 3.8Å; R14-D220 IonicContact CZ-OD2 3.74Å; R14-D220 IonicContact NH1-OD1 3.78Å; R14-D220 PolarHBondContact NH1-OD1 2.69Å; R14-D220 IonicContact NH1-OD2 2.71Å; R14-D220 PolarHBondContact NH1-OD2 3.01Å; R14-D220 IonicContact NH2-OD1 3.11Å; R14-D220 IonicContact NH2-OD2 2.79Å; R14-D220 PolarHBondContact NH2-OD2 3.07Å; P16-D220 WeakPolarHBondContact CA-OD1 3.13Å; F17-D220 PolarHBondContact N-OD1 2.79Å; F17-D220 WeakPolarHBondContact O-CA 2.98Å; Y194-D220 HydrophobicContact CE2-CB 4.32Å; Y194-D220 VanDerWaalsContact OH-CB 3.23Å; Y194-D220 WeakPolarHBondContact OH-CB 3.48Å; Y194-D220 PolarHBondContact OH-N 3Å; Y194-D220 PolarHBondContact OH-OD2 3.2Å; D220-P223 HydrophobicContact CB-CG 3.89Å; D220-P223 WeakPolarHBondContact O-CD 3.21Å; D220-I350 HydrophobicContact CB-CB 4.19Å; D220-I350 HydrophobicContact CB-CG2 4Å; D220-I350 VanDerWaalsContact OD2-CG2 3.25Å; D220-I350 WeakPolarHBondContact OD2-CG2 3.25Å
221E98.3Very high96.2Very high74 Ų7487.5 Ų87.535%0.34643%0.429SS..SBendtrans-87.5-26.8-176.3-174.6178.4-163.700112.2F17 A19 G22 L23 M217 P223F17-E221 PolarHBondContact O-N 2.92Å; A19-E221 HydrophobicContact CB-CB 4.28Å; A19-E221 HydrophobicContact CB-CG 3.95Å; A19-E221 PolarHBondContact N-OE2 3.22Å; G22-E221 WeakPolarHBondContact CA-OE2 3.49Å; L23-E221 PolarHBondContact N-OE1 3.41Å; L23-E221 PolarHBondContact N-OE2 3.45Å; M217-E221 HydrophobicContact CE-CB 3.71Å; E221-P223 VanDerWaalsContact C-CD 3.46Å
222H98.4Very high96.7Very high34 Ų3477.1 Ų77.116%0.15738%0.384CS..SBendtrans-71-30.5-176.4-157.371.2000116.6K224 A349H222-K224 PolarHBondContact O-N 3.32Å; H222-A349 CarbonylContact C-O 3.53Å; H222-A349 VanDerWaalsContact C-O 3.26Å; H222-A349 PolarHBondContact CD2-O 3.38Å
223P98.4Very high97.1Very high28 Ų2871.1 Ų71.118%0.18237%0.369CS..  trans-54.5138.8-176.8-30.637.3000114.1Y194 D220 E221 P225 A349 I350Y194-P223 HydrophobicContact CE2-CG 4.35Å; D220-P223 HydrophobicContact CB-CG 3.89Å; D220-P223 WeakPolarHBondContact O-CD 3.21Å; E221-P223 VanDerWaalsContact C-CD 3.46Å; P223-P225 VanDerWaalsContact O-CD 3.3Å; P223-P225 WeakPolarHBondContact O-CD 3.35Å; P223-A349 WeakPolarHBondContact CA-O 3.3Å; P223-A349 WeakPolarHBondContact CD-O 3.22Å; P223-I350 HydrophobicContact CG-CG2 3.9Å
224K98Very high97.3Very high109 Ų10977.7 Ų77.747%0.47439%0.388SS..  trans-11876.7177.3-64.6175.7-172.6170.50108.3H222 Q226 T227H222-K224 PolarHBondContact O-N 3.32Å; K224-Q226 PolarHBondContact O-N 2.87Å; K224-T227 WeakPolarHBondContact CB-OG1 3.37Å; K224-T227 VanDerWaalsContact O-CB 3.31Å; K224-T227 WeakPolarHBondContact O-CB 3.47Å; K224-T227 PolarHBondContact O-N 2.83Å; K224-T227 PolarHBondContact O-OG1 3.04Å
225P94.1Very high97.5Very high63 Ų6373.9 Ų73.941%0.40937%0.374SS..THydrogen-bonded Turntrans-67.2-11.9-168.427.6-36.8000114.4K191 P223K191-P225 HydrophobicContact CB-CB 4.12Å; K191-P225 HydrophobicContact CD-CB 3.73Å; K191-P225 HydrophobicContact CG-CB 4.01Å; P223-P225 VanDerWaalsContact O-CD 3.3Å; P223-P225 WeakPolarHBondContact O-CD 3.35Å
226Q97.1Very high97.7Very high156 Ų15674 Ų7473%0.72938%0.383SS*.THydrogen-bonded Turntrans-96.110.7177-55.7-62.9-1.400113.1K224 T228 Q231K224-Q226 PolarHBondContact O-N 2.87Å; Q226-T228 PolarHBondContact O-N 3.45Å; Q226-Q231 PolarHBondContact O-OE1 3.24Å
227T97.6Very high97.7Very high20 Ų2072.8 Ų72.812%0.12337%0.373CS..  trans-61.1127.6178.9-73.10000111.3V184 Q187 K224 L232V184-T227 HydrophobicContact CG2-CG2 4.25Å; Q187-T227 HydrophobicContact CG-CG2 4.38Å; K224-T227 WeakPolarHBondContact CB-OG1 3.37Å; K224-T227 VanDerWaalsContact O-CB 3.31Å; K224-T227 WeakPolarHBondContact O-CB 3.47Å; K224-T227 PolarHBondContact O-N 2.83Å; K224-T227 PolarHBondContact O-OG1 3.04Å; T227-L232 HydrophobicContact CG2-CD1 3.83Å; T227-L232 HydrophobicContact CG2-CD2 3.79Å; T227-L232 HydrophobicContact CG2-CG 3.7Å
228T98.1Very high97.7Very high51 Ų5176.3 Ų76.331%0.31340%0.395SS..  trans-117.4160.1172.684.60000111.6Q226 E230 Q231 L232Q226-T228 PolarHBondContact O-N 3.45Å; T228-E230 VanDerWaalsContact C-N 3.26Å; T228-E230 WeakPolarHBondContact CB-OE2 3.42Å; T228-E230 PolarHBondContact O-N 3.48Å; T228-E230 PolarHBondContact OG1-N 3.45Å; T228-E230 PolarHBondContact OG1-OE2 2.92Å; T228-Q231 VanDerWaalsContact N-OE1 3.13Å; T228-Q231 WeakPolarHBondContact O-CB 3.33Å; T228-Q231 PolarHBondContact O-N 3.44Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.37Å; T228-Q231 PolarHBondContact OG1-N 2.98Å; T228-L232 PolarHBondContact O-N 3.41Å; T228-L232 VanDerWaalsContact O-N 3.12Å
229L98.2Very high97.5Very high57 Ų5774.8 Ų74.830%0.29839%0.387SS..Hα-helixtrans-62-37.1178.7-173.560.6000111.4D180 R181 V184 Q231 L232 A233D180-L229 HydrophobicContact CB-CD1 3.7Å; R181-L229 HydrophobicContact CG-CD1 3.99Å; R181-L229 HydrophobicContact CG-CD2 4.15Å; V184-L229 HydrophobicContact CG2-CB 4.28Å; L229-Q231 VanDerWaalsContact C-N 3.32Å; L229-Q231 PolarHBondContact O-N 3.4Å; L229-L232 PolarHBondContact O-N 2.86Å; L229-A233 WeakPolarHBondContact O-CB 3.24Å; L229-A233 PolarHBondContact O-N 2.94Å
230E98Very high97.3Very high122 Ų12272.6 Ų72.657%0.5738%0.377SS*.Hα-helixtrans-66.6-33.4178.4-54.974.3-161.600112.3T228 K234T228-E230 VanDerWaalsContact C-N 3.26Å; T228-E230 WeakPolarHBondContact CB-OE2 3.42Å; T228-E230 PolarHBondContact O-N 3.48Å; T228-E230 PolarHBondContact OG1-N 3.45Å; T228-E230 PolarHBondContact OG1-OE2 2.92Å; E230-K234 WeakPolarHBondContact O-CD 3.09Å; E230-K234 WeakPolarHBondContact O-CG 3.19Å
231Q98.3Very high97Very high99 Ų9980.4 Ų80.446%0.46341%0.411SS..Hα-helixtrans-69.3-44.7173.7-69.6171.5-10.700110.7Q226 T228 L229 K234Q226-Q231 PolarHBondContact O-OE1 3.24Å; T228-Q231 VanDerWaalsContact N-OE1 3.13Å; T228-Q231 WeakPolarHBondContact O-CB 3.33Å; T228-Q231 PolarHBondContact O-N 3.44Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.37Å; T228-Q231 PolarHBondContact OG1-N 2.98Å; L229-Q231 VanDerWaalsContact C-N 3.32Å; L229-Q231 PolarHBondContact O-N 3.4Å; Q231-K234 PolarHBondContact O-N 3.11Å
232L98.3Very high96.7Very high7 Ų783.7 Ų83.74%0.03743%0.431CS..Hα-helixtrans-65.4-43.1179.7-65.7-172.8000112R176 D180 A183 V184 T227 T228 L229 K234 L235R176-L232 PolarHBondContact NH2-O 3.31Å; D180-L232 HydrophobicContact CB-CB 3.94Å; D180-L232 HydrophobicContact CB-CD1 4.09Å; D180-L232 WeakPolarHBondContact O-CD1 3.35Å; A183-L232 HydrophobicContact CB-CD1 3.65Å; V184-L232 HydrophobicContact CG2-CD1 3.73Å; T227-L232 HydrophobicContact CG2-CD1 3.83Å; T227-L232 HydrophobicContact CG2-CD2 3.79Å; T227-L232 HydrophobicContact CG2-CG 3.7Å; T228-L232 PolarHBondContact O-N 3.41Å; T228-L232 VanDerWaalsContact O-N 3.12Å; L229-L232 PolarHBondContact O-N 2.86Å; L232-K234 PolarHBondContact O-N 2.7Å; L232-K234 VanDerWaalsContact O-N 3.09Å; L232-L235 HydrophobicContact CD2-CD1 3.99Å; L232-L235 WeakPolarHBondContact O-CB 3.31Å; L232-L235 PolarHBondContact O-N 3.47Å
233A97.5Very high96.7Very high64 Ų6482.3 Ų82.353%0.52943%0.426SS..Hα-helixtrans-58.4-26.9-179.800000113.4L229 L235L229-A233 WeakPolarHBondContact O-CB 3.24Å; L229-A233 PolarHBondContact O-N 2.94Å; A233-L235 VanDerWaalsContact C-N 3.34Å
234K98.1Very high96.7Very high174 Ų17481.7 Ų81.776%0.75742%0.421SS*.THydrogen-bonded Turntrans-78.2-14.6177.4-68.9171.3-175.1177.90113.8E230 Q231 L232E230-K234 WeakPolarHBondContact O-CD 3.09Å; E230-K234 WeakPolarHBondContact O-CG 3.19Å; Q231-K234 PolarHBondContact O-N 3.11Å; L232-K234 PolarHBondContact O-N 2.7Å; L232-K234 VanDerWaalsContact O-N 3.09Å
235L98.2Very high96.7Very high62 Ų6276.5 Ų76.533%0.32540%0.399SS..SBendtrans-73.8131.6-178.8-62.3176.8000110.5R176 L232 A233 T246R176-L235 PolarHBondContact NH1-O 3.22Å; R176-L235 VanDerWaalsContact NH1-O 3.11Å; R176-L235 PolarHBondContact NH2-O 3.4Å; L232-L235 HydrophobicContact CD2-CD1 3.99Å; L232-L235 WeakPolarHBondContact O-CB 3.31Å; L232-L235 PolarHBondContact O-N 3.47Å; A233-L235 VanDerWaalsContact C-N 3.34Å; L235-T246 HydrophobicContact CB-CG2 4.24Å
236P97.8Very high97Very high92 Ų9273.6 Ų73.660%0.59738%0.38SS*.PPolyproline II helixtrans-71.7149.5176.730.6-34.6000110.6
237P97.3Very high97Very high46 Ų4669.5 Ų69.530%0.29937%0.373SS..PPolyproline II helixtrans-64.8140.4167.430.3-34.1000110.1K240 V245P237-K240 WeakPolarHBondContact CB-O 3.39Å; P237-V245 WeakPolarHBondContact CA-O 3.42Å
238V96.6Very high97Very high84 Ų8469.1 Ų69.151%0.50937%0.373SS..SBendtrans-95.3-37.1-170.1176.40000112.4V245V238-V245 PolarHBondContact N-O 3.36Å; V238-V245 VanDerWaalsContact N-O 3.13Å
239F92.6Very high97.1Very high74 Ų7466.7 Ų66.733%0.32536%0.358SS..SBendtrans-110.4-18.3-166.8-63.8-89000114.5W149 P160 A162 V163 V245W149-F239 AromaticContact CH2-CE1 3.86Å; W149-F239 HydrophobicContact CH2-CE1 3.86Å; W149-F239 HydrophobicContact CH2-CZ 4.27Å; P160-F239 HydrophobicContact CB-CD1 4.26Å; P160-F239 HydrophobicContact CB-CE1 4.47Å; A162-F239 HydrophobicContact CB-CB 4.07Å; A162-F239 HydrophobicContact CB-CD1 3.81Å; A162-F239 HydrophobicContact CB-CD2 3.15Å; A162-F239 HydrophobicContact CB-CE1 3.97Å; A162-F239 HydrophobicContact CB-CE2 3.35Å; A162-F239 HydrophobicContact CB-CG 3.39Å; A162-F239 HydrophobicContact CB-CZ 3.76Å; V163-F239 HydrophobicContact CG2-CB 4.03Å; F239-V245 HydrophobicContact CD2-CG1 4.23Å
240K92.8Very high97.1Very high95 Ų9564.6 Ų64.641%0.41335%0.349SS..SBendtrans-145.7135.2-178.8-172-178.7176.3-176.10109.6E166 P237 D242 G243E166-K240 HydrophobicContact CB-CD 4.31Å; E166-K240 HydrophobicContact CG-CB 4.27Å; E166-K240 HydrophobicContact CG-CD 4.35Å; P237-K240 WeakPolarHBondContact CB-O 3.39Å; K240-D242 PolarHBondContact O-N 3.33Å; K240-G243 PolarHBondContact O-N 2.83Å
241K93.9Very high97.1Very high178 Ų17860 Ų6077%0.77433%0.33SS*.THydrogen-bonded Turntrans-59.6132171.4-173.3-176.5172-179.30109G243K241-G243 PolarHBondContact O-N 3.08Å; K241-G243 VanDerWaalsContact O-N 3.16Å
242D92.3Very high97.1Very high142 Ų14255.9 Ų55.976%0.75931%0.314SS*.THydrogen-bonded Turntrans57.224.7-176.3-48.5-44.1000113.5K240K240-D242 PolarHBondContact O-N 3.33Å
243G97.4Very high97.1Very high6 Ų657.6 Ų57.66%0.06233%0.325CS..  trans-77.1169.8176.300000113.9E166 K240 K241E166-G243 WeakPolarHBondContact OE1-CA 3.14Å; E166-G243 WeakPolarHBondContact OE2-CA 3.25Å; K240-G243 PolarHBondContact O-N 2.83Å; K241-G243 PolarHBondContact O-N 3.08Å; K241-G243 VanDerWaalsContact O-N 3.16Å
244T98.6Very high97.1Very high14 Ų1454.5 Ų54.59%0.08630%0.3CS..SBendtrans-89-25.1178.862.20000113.4E166 A169 R176 N249E166-T244 VanDerWaalsContact CD-N 3.32Å; E166-T244 PolarHBondContact OE1-N 3.08Å; E166-T244 PolarHBondContact OE2-N 2.9Å; E166-T244 PolarHBondContact OE2-OG1 2.78Å; A169-T244 HydrophobicContact CB-CG2 3.95Å; A169-T244 WeakPolarHBondContact CB-OG1 3.29Å; R176-T244 HydrophobicContact CB-CG2 4.37Å; R176-T244 VanDerWaalsContact CD-O 3.31Å; R176-T244 WeakPolarHBondContact CD-O 3.44Å; T244-N249 PolarHBondContact O-ND2 3.42Å
245V98.7Very high97.2Very high0 Ų046.2 Ų46.20%026%0.264CS..  trans-85.3123.4-171.5-178.50000112A162 A165 E166 P237 V238 F239 N249 A250 F323 P325A162-V245 HydrophobicContact CB-CG1 4.12Å; A165-V245 HydrophobicContact CB-CG2 4.22Å; E166-V245 HydrophobicContact CG-CG2 4.11Å; E166-V245 WeakPolarHBondContact OE1-CB 3.36Å; E166-V245 WeakPolarHBondContact OE1-CG2 3.28Å; E166-V245 PolarHBondContact OE1-N 3.04Å; P237-V245 WeakPolarHBondContact CA-O 3.42Å; V238-V245 PolarHBondContact N-O 3.36Å; V238-V245 VanDerWaalsContact N-O 3.13Å; F239-V245 HydrophobicContact CD2-CG1 4.23Å; V245-N249 WeakPolarHBondContact CA-OD1 3.42Å; V245-A250 HydrophobicContact CG1-CB 4.12Å; V245-F323 HydrophobicContact CG1-CD1 3.72Å; V245-F323 HydrophobicContact CG1-CE1 4.11Å; V245-F323 HydrophobicContact CG2-CD1 4.45Å; V245-P325 HydrophobicContact CG2-CG 3.75Å
246T98.8Very high97.2Very high2 Ų243.3 Ų43.31%0.01225%0.248CC..  trans-127.3171.1175.873.50000111.5R176 L235 G248 N249 A250R176-T246 VanDerWaalsContact NH1-CG2 3.32Å; L235-T246 HydrophobicContact CB-CG2 4.24Å; T246-G248 PolarHBondContact O-N 2.86Å; T246-G248 VanDerWaalsContact O-N 3.15Å; T246-G248 PolarHBondContact OG1-N 3.22Å; T246-G248 VanDerWaalsContact OG1-N 3.12Å; T246-N249 PolarHBondContact N-OD1 2.9Å; T246-N249 PolarHBondContact O-N 2.56Å; T246-N249 PolarHBondContact O-OD1 3.3Å; T246-N249 PolarHBondContact OG1-N 3.07Å; T246-N249 PolarHBondContact OG1-ND2 2.87Å; T246-A250 WeakPolarHBondContact O-CB 3.3Å; T246-A250 PolarHBondContact O-N 2.91Å
247A98.3Very high97.2Very high71 Ų7138.9 Ų38.959%0.58722%0.22SC*.THydrogen-bonded Turntrans-64.5-12.2171.700000114.1
248G98.3Very high97.3Very high11 Ų1136.8 Ų36.811%0.11321%0.207CC..THydrogen-bonded Turntrans-97.5-15.4179.800000114.4A183 T246A183-G248 WeakPolarHBondContact CB-O 3.34Å; T246-G248 PolarHBondContact O-N 2.86Å; T246-G248 VanDerWaalsContact O-N 3.15Å; T246-G248 PolarHBondContact OG1-N 3.22Å; T246-G248 VanDerWaalsContact OG1-N 3.12Å
249N98.7Very high97.4Very high0 Ų033 Ų330%018%0.184CC..THydrogen-bonded Turntrans-12512.5-17869.627.7000113.4C179 D180 A183 T244 V245 T246 A324C179-N249 HydrophobicContact CB-CB 4.42Å; D180-N249 PolarHBondContact OD1-ND2 3.42Å; A183-N249 HydrophobicContact CB-CB 3.8Å; T244-N249 PolarHBondContact O-ND2 3.42Å; V245-N249 WeakPolarHBondContact CA-OD1 3.42Å; T246-N249 PolarHBondContact N-OD1 2.9Å; T246-N249 PolarHBondContact O-N 2.56Å; T246-N249 PolarHBondContact O-OD1 3.3Å; T246-N249 PolarHBondContact OG1-N 3.07Å; T246-N249 PolarHBondContact OG1-ND2 2.87Å; N249-A324 HydrophobicContact CB-CB 3.97Å; N249-A324 VanDerWaalsContact O-CB 3.31Å; N249-A324 WeakPolarHBondContact O-CB 3.5Å; N249-A324 PolarHBondContact O-N 3.21Å
250A98.8Very high97.7Very high14 Ų1429.4 Ų29.412%0.11617%0.168CC..BIsolated β-bridgetrans-109.7152167.500000109.7V245 T246 F323V245-A250 HydrophobicContact CG1-CB 4.12Å; T246-A250 WeakPolarHBondContact O-CB 3.3Å; T246-A250 PolarHBondContact O-N 2.91Å; A250-F323 HydrophobicContact CB-CD1 3.52Å; A250-F323 HydrophobicContact CB-CE1 3.78Å
251S98.4Very high98Very high24 Ų2424.9 Ų24.917%0.16815%0.148CC..PPolyproline II helixtrans-65.5141.4171.861.50000111.8E321 A322 A347 H352S251-E321 WeakPolarHBondContact CB-O 3.45Å; S251-A322 PolarHBondContact N-O 2.8Å; S251-A322 PolarHBondContact OG-O 3.38Å; S251-A322 VanDerWaalsContact OG-O 3.08Å; S251-A347 WeakPolarHBondContact CA-O 3.36Å; S251-A347 VanDerWaalsContact CB-O 3.24Å; S251-A347 WeakPolarHBondContact CB-O 3.42Å; S251-H352 WeakPolarHBondContact OG-CB 3.49Å
252G97.6Very high98.3Very high13 Ų1316.4 Ų16.413%0.13411%0.112CC..PPolyproline II helixtrans-72.2148.1174.300000113.7C254 H352G252-C254 PolarHBondContact O-N 3.02Å; G252-H352 PolarHBondContact O-N 3.34Å
253V98.4Very high98.6Very high43 Ų439.7 Ų9.726%0.2618%0.075SC..PPolyproline II helixtrans-62125.8159175.30000107.9Y20 M122 L148Y20-V253 WeakPolarHBondContact CB-O 3.5Å; Y20-V253 HydrophobicContact CD2-CB 4.4Å; Y20-V253 HydrophobicContact CD2-CG1 3.43Å; Y20-V253 VanDerWaalsContact CD2-CG1 3.43Å; Y20-V253 HydrophobicContact CE2-CG1 4.17Å; Y20-V253 HydrophobicContact CG-CB 4.39Å; Y20-V253 HydrophobicContact CG-CG1 3.89Å; Y20-V253 PolarHBondContact N-O 3.35Å; M122-V253 HydrophobicContact CB-CG1 3.49Å; M122-V253 VanDerWaalsContact CB-CG1 3.49Å; M122-V253 HydrophobicContact CE-CB 4.44Å; M122-V253 HydrophobicContact CE-CG1 3.89Å; M122-V253 HydrophobicContact CE-CG2 4.21Å; M122-V253 HydrophobicContact CG-CG1 4.26Å; M122-V253 HydrophobicContact SD-CB 4.5Å; M122-V253 HydrophobicContact SD-CG1 3.88Å; L148-V253 HydrophobicContact CD2-CG1 3.82Å; L148-V253 HydrophobicContact CD2-CG2 4.39Å
254C98Very high98.6Very high0 Ų09.7 Ų9.70%08%0.075CC..EExtended strand (participates in β ladder)trans-149.8165.8-172.4-77.40000111.5G18 M122 G252 G351 P353G18-C254 CarbonylContact O-C 3.49Å; G18-C254 WeakPolarHBondContact O-CA 3.45Å; G18-C254 WeakPolarHBondContact O-CB 3.5Å; G18-C254 PolarHBondContact O-SG 3.08Å; M122-C254 VanDerWaalsContact CG-O 3.29Å; M122-C254 WeakPolarHBondContact CG-O 3.28Å; M122-C254 VanDerWaalsContact SD-O 3.4Å; G252-C254 PolarHBondContact O-N 3.02Å; C254-G351 VanDerWaalsContact SG-CA 3.54Å; C254-P353 WeakPolarHBondContact O-CB 3.48Å
255D98.9Very high98.5Very high0 Ų014.9 Ų14.90%010%0.098CC..EExtended strand (participates in β ladder)trans-115.6139.8179-52.9-39.6000109.7F17 G18 L24 L32 E120 N121 M122 S123F17-D255 CarbonylContact C-O 3.57Å; F17-D255 VanDerWaalsContact CA-O 3.26Å; F17-D255 WeakPolarHBondContact CA-O 3.41Å; G18-D255 PolarHBondContact N-O 2.71Å; G18-D255 PolarHBondContact O-N 2.94Å; L24-D255 HydrophobicContact CB-CB 4.09Å; L32-D255 HydrophobicContact CD1-CB 4.23Å; E120-D255 WeakPolarHBondContact O-CA 3.37Å; N121-D255 WeakPolarHBondContact CA-OD1 3Å; N121-D255 PolarHBondContact OD1-OD1 3.3Å; M122-D255 PolarHBondContact N-OD1 3.15Å; S123-D255 WeakPolarHBondContact CB-OD2 3.21Å; S123-D255 PolarHBondContact N-OD1 3.47Å; S123-D255 VanDerWaalsContact OG-CG 3.3Å; S123-D255 PolarHBondContact OG-OD1 2.77Å; S123-D255 PolarHBondContact OG-OD2 3.19Å
256G98.9Very high98.4Very high0 Ų018.1 Ų18.10%012%0.12CC..EExtended strand (participates in β ladder)trans173.2173.7176.500000114.3T15 A119 E120 A356T15-G256 WeakPolarHBondContact OG1-CA 3.31Å; A119-G256 WeakPolarHBondContact CA-O 3.37Å; E120-G256 PolarHBondContact N-O 2.66Å; E120-G256 PolarHBondContact O-N 2.98Å; E120-G256 VanDerWaalsContact O-O 3.12Å; G256-A356 VanDerWaalsContact O-CB 3.25Å; G256-A356 WeakPolarHBondContact O-CB 2.98Å
257A98.9Very high98.4Very high0 Ų018 Ų180%012%0.12CC..EExtended strand (participates in β ladder)trans-144.9159.5175.200000112.6R14 T15 L32 A36 G118 A119R14-A257 CarbonylContact C-O 3.54Å; R14-A257 WeakPolarHBondContact CA-O 3.37Å; T15-A257 HydrophobicContact CG2-CB 4.18Å; T15-A257 PolarHBondContact N-O 3.46Å; T15-A257 PolarHBondContact OG1-N 2.7Å; T15-A257 PolarHBondContact OG1-O 3.22Å; L32-A257 HydrophobicContact CB-CB 3.81Å; L32-A257 WeakPolarHBondContact O-CB 3.15Å; A36-A257 HydrophobicContact CB-CB 4.07Å; G118-A257 CarbonylContact O-C 3.56Å; G118-A257 WeakPolarHBondContact O-CA 3.32Å; A119-A257 HydrophobicContact CB-CB 3.71Å
258G98.9Very high98.4Very high2 Ų215.7 Ų15.72%0.02110%0.098CC..EExtended strand (participates in β ladder)trans-139.3151.6168.300000111.2K13 G117 G118K13-G258 CarbonylContact O-C 3.55Å; K13-G258 WeakPolarHBondContact O-CA 3.22Å; G117-G258 CarbonylContact C-O 3.43Å; G117-G258 WeakPolarHBondContact CA-O 3.47Å; G118-G258 PolarHBondContact N-O 2.74Å; G118-G258 PolarHBondContact O-N 3.25Å
259A98.9Very high98.3Very high3 Ų321 Ų213%0.02513%0.128CC..EExtended strand (participates in β ladder)trans-136.4136.2177.500000110.3A12 K13 A36 A37 A40 L115 C116A12-A259 CarbonylContact C-O 3.54Å; A12-A259 WeakPolarHBondContact CA-O 3.12Å; K13-A259 PolarHBondContact N-O 3.26Å; K13-A259 PolarHBondContact O-N 2.74Å; K13-A259 VanDerWaalsContact O-O 3.11Å; A36-A259 HydrophobicContact CB-CB 3.92Å; A37-A259 HydrophobicContact CB-CB 4.31Å; A40-A259 HydrophobicContact CB-CB 3.89Å; L115-A259 HydrophobicContact CD1-CB 4.24Å; C116-A259 CarbonylContact O-C 3.5Å; C116-A259 WeakPolarHBondContact O-CA 3.18Å
260V98.9Very high98.2Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-131121.2179.2-176.90000107.2I9 S11 A12 I99 C116 I262 T362I9-V260 HydrophobicContact CB-CG1 4.37Å; I9-V260 HydrophobicContact CD1-CG1 4.24Å; I9-V260 HydrophobicContact CG1-CG1 3.93Å; I9-V260 HydrophobicContact CG2-CG1 3.65Å; S11-V260 CarbonylContact O-C 3.57Å; S11-V260 WeakPolarHBondContact O-CA 3.45Å; A12-V260 HydrophobicContact CB-CG1 4.43Å; A12-V260 HydrophobicContact CB-CG2 4.15Å; I99-V260 HydrophobicContact CD1-CB 4.18Å; I99-V260 HydrophobicContact CD1-CG1 4.41Å; I99-V260 HydrophobicContact CD1-CG2 3.96Å; I99-V260 HydrophobicContact CG1-CB 4.3Å; C116-V260 CarbonylContact C-O 3.55Å; C116-V260 WeakPolarHBondContact CA-O 3.46Å; C116-V260 WeakPolarHBondContact CB-O 3.44Å; C116-V260 PolarHBondContact N-O 3.49Å; C116-V260 PolarHBondContact O-N 3.09Å; V260-I262 HydrophobicContact CG1-CG2 4.08Å; V260-T362 HydrophobicContact CG2-CG2 4.38Å
261V98.9Very high98.2Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-94.4124.1173-173.90000107.9V10 S11 A40 L41 V46 V113 L115V10-V261 HydrophobicContact CG2-CB 3.86Å; V10-V261 HydrophobicContact CG2-CG1 3.68Å; V10-V261 WeakPolarHBondContact CG2-O 3.25Å; V10-V261 PolarHBondContact N-O 3.38Å; S11-V261 PolarHBondContact N-O 3.1Å; S11-V261 PolarHBondContact O-N 2.99Å; A40-V261 HydrophobicContact CB-CG2 4.16Å; L41-V261 HydrophobicContact CD2-CG2 4.22Å; V46-V261 HydrophobicContact CG1-CG1 4.18Å; V46-V261 HydrophobicContact CG2-CG1 4.16Å; V113-V261 HydrophobicContact CG1-CG1 3.82Å; L115-V261 HydrophobicContact CD1-CG2 4.03Å
262I98.9Very high98.2Very high0 Ų033 Ų330%019%0.189CC..EExtended strand (participates in β ladder)trans-113.7150.7174.961.9174.5000110.7V7 F8 I9 I99 G102 I106 V113 V114 V260V7-I262 HydrophobicContact CG1-CB 4.09Å; V7-I262 HydrophobicContact CG1-CD1 4.1Å; F8-I262 CarbonylContact O-C 3.49Å; F8-I262 WeakPolarHBondContact O-CA 3.39Å; I9-I262 HydrophobicContact CG1-CG2 3.9Å; I99-I262 HydrophobicContact CG2-CG2 4.38Å; G102-I262 VanDerWaalsContact C-CD1 3.42Å; I106-I262 HydrophobicContact CD1-CB 4.43Å; I106-I262 HydrophobicContact CD1-CD1 3.92Å; I106-I262 HydrophobicContact CD1-CG1 3.86Å; V113-I262 WeakPolarHBondContact CA-O 3.22Å; V114-I262 HydrophobicContact CB-CD1 4.3Å; V114-I262 HydrophobicContact CB-CG1 3.89Å; V114-I262 PolarHBondContact N-O 3.48Å; V114-I262 PolarHBondContact O-N 3.37Å; V260-I262 HydrophobicContact CG1-CG2 4.08Å
263A98.8Very high98.2Very high0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-142.5150.9-178.100000111.1F8 V10 E112 V113 A267 L268 L273F8-A263 PolarHBondContact N-O 2.98Å; F8-A263 PolarHBondContact O-N 3.14Å; V10-A263 HydrophobicContact CG1-CB 3.99Å; E112-A263 CarbonylContact O-C 3.48Å; E112-A263 VanDerWaalsContact O-CA 3.26Å; E112-A263 WeakPolarHBondContact O-CA 3.46Å; V113-A263 HydrophobicContact CG2-CB 4.18Å; A263-A267 HydrophobicContact CB-CB 4.03Å; A263-L268 HydrophobicContact CB-CD2 4.23Å; A263-L273 HydrophobicContact CB-CD1 3.85Å
264S98.5Very high98.2Very high7 Ų735.5 Ų35.55%0.04920%0.201CC..EExtended strand (participates in β ladder)trans-66.9161168.370.10000111.2G6 E112 S266 A267 L268G6-S264 CarbonylContact O-C 3.6Å; E112-S264 PolarHBondContact O-N 2.71Å; S264-S266 VanDerWaalsContact C-N 3.28Å; S264-S266 PolarHBondContact O-N 3.36Å; S264-S266 PolarHBondContact OG-OG 2.69Å; S264-A267 WeakPolarHBondContact O-CB 3.45Å; S264-A267 PolarHBondContact O-N 3.35Å; S264-A267 WeakPolarHBondContact OG-CB 3.37Å; S264-A267 PolarHBondContact OG-N 3.36Å; S264-A267 VanDerWaalsContact OG-N 3.11Å; S264-L268 PolarHBondContact O-N 3.49Å
265E96.8Very high98.2Very high123 Ų12337.2 Ų37.258%0.57521%0.212SC*.Hα-helixtrans-56.4-40.9172.5-165.5170.9-173.600112.6G6 F8 A267 L268G6-E265 PolarHBondContact O-N 2.99Å; F8-E265 HydrophobicContact CD2-CB 4.49Å; F8-E265 HydrophobicContact CE2-CB 3.83Å; F8-E265 HydrophobicContact CE2-CG 3.97Å; E265-A267 VanDerWaalsContact C-N 3.35Å; E265-A267 PolarHBondContact O-N 3.33Å; E265-L268 WeakPolarHBondContact O-CB 3.2Å; E265-L268 PolarHBondContact O-N 3.19Å
266S96.3Very high98.2Very high67 Ų6738.6 Ų38.647%0.46922%0.219SC..Hα-helixtrans-62.8-40.5177.354.40000112.3E112 S264 L268 T269 K270E112-S266 PolarHBondContact OE1-OG 3.05Å; S264-S266 VanDerWaalsContact C-N 3.28Å; S264-S266 PolarHBondContact O-N 3.36Å; S264-S266 PolarHBondContact OG-OG 2.69Å; S266-L268 VanDerWaalsContact C-N 3.25Å; S266-L268 PolarHBondContact O-N 3.02Å; S266-T269 PolarHBondContact O-N 3.04Å; S266-K270 VanDerWaalsContact O-CB 3.26Å; S266-K270 WeakPolarHBondContact O-CB 3.49Å; S266-K270 PolarHBondContact O-N 2.8Å
267A97.9Very high98.2Very high0 Ų038.7 Ų38.70%022%0.22CC..Hα-helixtrans-64.3-29.8179.500000112.7E112 V113 A263 S264 E265 H271E112-A267 HydrophobicContact CB-CB 4.23Å; V113-A267 HydrophobicContact CG2-CB 3.9Å; A263-A267 HydrophobicContact CB-CB 4.03Å; S264-A267 WeakPolarHBondContact O-CB 3.45Å; S264-A267 PolarHBondContact O-N 3.35Å; S264-A267 WeakPolarHBondContact OG-CB 3.37Å; S264-A267 PolarHBondContact OG-N 3.36Å; S264-A267 VanDerWaalsContact OG-N 3.11Å; E265-A267 VanDerWaalsContact C-N 3.35Å; E265-A267 PolarHBondContact O-N 3.33Å; A267-H271 WeakPolarHBondContact O-CB 3.26Å; A267-H271 PolarHBondContact O-N 2.96Å
268L97.8Very high98.2Very high23 Ų2342 Ų4212%0.1223%0.232CC..Hα-helixtrans-58.2-51.7177.6-61-174.9000111.6F8 V10 A263 S264 E265 S266 S272 L273 P275F8-L268 HydrophobicContact CB-CD1 4.14Å; F8-L268 HydrophobicContact CB-CD2 4.14Å; F8-L268 HydrophobicContact CD1-CD1 4.11Å; F8-L268 HydrophobicContact CD2-CD1 3.62Å; F8-L268 HydrophobicContact CD2-CG 4.28Å; F8-L268 HydrophobicContact CE1-CD1 4.41Å; F8-L268 HydrophobicContact CE2-CD1 3.97Å; F8-L268 HydrophobicContact CG-CD1 3.69Å; F8-L268 HydrophobicContact CG-CG 4.48Å; F8-L268 HydrophobicContact CZ-CD1 4.35Å; V10-L268 HydrophobicContact CG1-CD2 3.47Å; V10-L268 VanDerWaalsContact CG1-CD2 3.47Å; A263-L268 HydrophobicContact CB-CD2 4.23Å; S264-L268 PolarHBondContact O-N 3.49Å; E265-L268 WeakPolarHBondContact O-CB 3.2Å; E265-L268 PolarHBondContact O-N 3.19Å; S266-L268 VanDerWaalsContact C-N 3.25Å; S266-L268 PolarHBondContact O-N 3.02Å; L268-S272 CarbonylContact O-C 3.46Å; L268-S272 VanDerWaalsContact O-CA 3.25Å; L268-S272 WeakPolarHBondContact O-CA 3.22Å; L268-S272 PolarHBondContact O-N 2.89Å; L268-L273 HydrophobicContact CD2-CB 3.97Å; L268-L273 PolarHBondContact O-N 3.43Å; L268-P275 HydrophobicContact CD1-CB 3.96Å; L268-P275 HydrophobicContact CD1-CG 4Å; L268-P275 HydrophobicContact CD2-CB 4.27Å
269T96.1Very high98.2Very high123 Ų12342.4 Ų42.476%0.75524%0.235SC*.Hα-helixtrans-73.8-44.9178.9-52.20000111.4S266 H271 S272S266-T269 PolarHBondContact O-N 3.04Å; T269-H271 PolarHBondContact O-N 3.47Å; T269-S272 PolarHBondContact O-N 3.25Å
270K98Very high98.2Very high126 Ų12643.9 Ų43.955%0.54824%0.243SC..Hα-helixtrans-56.9-37.8-178.1-176.5-175.2175-158.80112.6E112 S266E112-K270 IonicContact OE2-NZ 2.64Å; E112-K270 PolarHBondContact OE2-NZ 3.21Å; S266-K270 VanDerWaalsContact O-CB 3.26Å; S266-K270 WeakPolarHBondContact O-CB 3.49Å; S266-K270 PolarHBondContact O-N 2.8Å
271H98.3Very high98.2Very high57 Ų5744.6 Ų44.626%0.26425%0.249SC..THydrogen-bonded Turntrans-113.89.1-175.9-60.3-62.2000113.8I50 A267 T269 L273I50-H271 HydrophobicContact CD1-CB 3.69Å; A267-H271 WeakPolarHBondContact O-CB 3.26Å; A267-H271 PolarHBondContact O-N 2.96Å; T269-H271 PolarHBondContact O-N 3.47Å; H271-L273 VanDerWaalsContact C-N 3.26Å; H271-L273 HydrophobicContact CB-CD1 4.22Å; H271-L273 HydrophobicContact CB-CD2 4.21Å; H271-L273 HydrophobicContact CB-CG 3.88Å; H271-L273 PolarHBondContact O-N 3.02Å
272S98Very high98.1Very high107 Ų10747.5 Ų47.575%0.74826%0.26SS*.THydrogen-bonded Turntrans53.440.7-179.5-56.90000113.5L268 T269L268-S272 CarbonylContact O-C 3.46Å; L268-S272 VanDerWaalsContact O-CA 3.25Å; L268-S272 WeakPolarHBondContact O-CA 3.22Å; L268-S272 PolarHBondContact O-N 2.89Å; T269-S272 PolarHBondContact O-N 3.25Å
273L98.3Very high98.1Very high13 Ų1348.9 Ų48.97%0.06827%0.267CS..  trans-81.8144.3-179-55.1175.2000110.7V10 V46 I50 V113 A263 L268 H271 P275V10-L273 HydrophobicContact CB-CB 4.32Å; V10-L273 HydrophobicContact CG1-CB 3.87Å; V10-L273 HydrophobicContact CG1-CD1 4.24Å; V10-L273 HydrophobicContact CG2-CD1 4.41Å; V46-L273 HydrophobicContact CG2-CD2 4.12Å; I50-L273 HydrophobicContact CD1-CD1 4.39Å; I50-L273 HydrophobicContact CD1-CD2 4.24Å; V113-L273 HydrophobicContact CG2-CD1 4.43Å; A263-L273 HydrophobicContact CB-CD1 3.85Å; L268-L273 HydrophobicContact CD2-CB 3.97Å; L268-L273 PolarHBondContact O-N 3.43Å; H271-L273 VanDerWaalsContact C-N 3.26Å; H271-L273 HydrophobicContact CB-CD1 4.22Å; H271-L273 HydrophobicContact CB-CD2 4.21Å; H271-L273 HydrophobicContact CB-CG 3.88Å; H271-L273 PolarHBondContact O-N 3.02Å; L273-P275 WeakPolarHBondContact O-CD 3.32Å
274T98.4Very high98.1Very high95 Ų9550.7 Ų50.758%0.58328%0.279SS*.  trans-95.1111.7176.4-57.30000109.9V10V10-T274 WeakPolarHBondContact CA-O 3.42Å
275P98.4Very high98.1Very high36 Ų3651.7 Ų51.723%0.23429%0.287CS..  trans-73.4132.417732.2-35.9000110.4F8 L268 L273 T396F8-P275 HydrophobicContact CB-CB 4.05Å; F8-P275 HydrophobicContact CD1-CB 3.83Å; F8-P275 HydrophobicContact CG-CB 4.22Å; L268-P275 HydrophobicContact CD1-CB 3.96Å; L268-P275 HydrophobicContact CD1-CG 4Å; L268-P275 HydrophobicContact CD2-CB 4.27Å; L273-P275 WeakPolarHBondContact O-CD 3.32Å; P275-T396 HydrophobicContact CB-CG2 4.2Å; P275-T396 PolarHBondContact O-OG1 3.48Å
276L98.8Very high98.2Very high29 Ų2948.4 Ų48.415%0.15229%0.286CS..SBendtrans-94.9-36.6176.1-57.4-178.8000112.2I9 V366 R370 T396I9-L276 WeakPolarHBondContact O-CB 3.14Å; I9-L276 PolarHBondContact O-N 3.34Å; L276-V366 HydrophobicContact CB-CG1 3.61Å; L276-V366 HydrophobicContact CD1-CG1 4Å; L276-V366 HydrophobicContact CG-CG1 4.47Å; L276-R370 WeakPolarHBondContact O-CD 3.33Å; L276-R370 PolarHBondContact O-NH1 3.28Å; L276-T396 PolarHBondContact O-OG1 3.37Å; L276-T396 VanDerWaalsContact O-OG1 3.13Å
277A98.8Very high98.3Very high1 Ų146.8 Ų46.81%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-156.1157.1177.400000110.1F8 I9 V366 I393 E394F8-A277 CarbonylContact C-O 3.41Å; F8-A277 WeakPolarHBondContact CA-O 3.27Å; I9-A277 PolarHBondContact N-O 3.27Å; I9-A277 PolarHBondContact O-N 3.02Å; A277-V366 HydrophobicContact CB-CG1 4.49Å; A277-V366 HydrophobicContact CB-CG2 4.11Å; A277-I393 HydrophobicContact CB-CB 4.22Å; A277-I393 HydrophobicContact CB-CD1 4.35Å; A277-E394 CarbonylContact C-O 3.45Å; A277-E394 WeakPolarHBondContact CA-O 3.36Å; A277-E394 WeakPolarHBondContact CB-O 3.5Å
278R98.8Very high98.4Very high69 Ų6950.5 Ų50.526%0.2629%0.294SS..EExtended strand (participates in β ladder)trans-100136.4170.1-173.2-18067.387.2-8.1109.6V7 F8 V280 I393 E394 T396V7-R278 WeakPolarHBondContact O-CA 3.32Å; V7-R278 WeakPolarHBondContact O-CG 3.24Å; F8-R278 HydrophobicContact CD1-CB 3.88Å; F8-R278 HydrophobicContact CD1-CG 4.12Å; F8-R278 HydrophobicContact CE1-CB 3.86Å; F8-R278 HydrophobicContact CE1-CG 3.87Å; F8-R278 HydrophobicContact CZ-CG 4.23Å; R278-V280 PolarHBondContact O-N 3.25Å; R278-I393 CarbonylContact O-C 3.56Å; R278-I393 VanDerWaalsContact O-CA 3.24Å; R278-I393 WeakPolarHBondContact O-CA 3.41Å; R278-E394 HydrophobicContact CB-CB 4.4Å; R278-E394 IonicContact CZ-OE2 3.23Å; R278-E394 PolarHBondContact N-O 3.08Å; R278-E394 IonicContact NE-OE2 3.58Å; R278-E394 PolarHBondContact NE-OE2 3.2Å; R278-E394 IonicContact NH2-OE2 2.98Å; R278-E394 PolarHBondContact NH2-OE2 3.43Å; R278-E394 PolarHBondContact O-N 3.09Å; R278-T396 HydrophobicContact CB-CG2 4.48Å
279V98.8Very high98.4Very high12 Ų1250.9 Ų50.97%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-78115.8168.7179.50000108.1V7 I9 L391V7-V279 HydrophobicContact CB-CB 4.4Å; V7-V279 HydrophobicContact CG1-CB 4.43Å; V7-V279 HydrophobicContact CG1-CG2 4.36Å; V7-V279 PolarHBondContact O-N 2.99Å; I9-V279 HydrophobicContact CD1-CG2 4.16Å; I9-V279 HydrophobicContact CG1-CG2 4.04Å; V279-L391 HydrophobicContact CG1-CD1 3.54Å; V279-L391 HydrophobicContact CG1-CG 4.5Å
280V98.4Very high98.5Very high34 Ų3446.9 Ų46.921%0.20627%0.273CS..EExtended strand (participates in β ladder)trans-86-50.5-175-176.30000111R278 A307 Y376 I392 E394R278-V280 PolarHBondContact O-N 3.25Å; V280-A307 HydrophobicContact CG1-CB 3.96Å; V280-Y376 HydrophobicContact CG2-CD1 4.29Å; V280-Y376 HydrophobicContact CG2-CE1 4.11Å; V280-I392 HydrophobicContact CB-CB 4.11Å; V280-I392 HydrophobicContact CB-CG2 3.79Å; V280-I392 HydrophobicContact CG1-CG2 4.4Å; V280-I392 HydrophobicContact CG2-CG2 3.92Å; V280-I392 PolarHBondContact N-O 2.92Å; V280-E394 HydrophobicContact CG2-CB 3.58Å
281A98.4Very high98.6Very high14 Ų1441.8 Ų41.812%0.11625%0.252CS..EExtended strand (participates in β ladder)trans-162.9161.3-177.700000110.2V303 A307 I392A281-V303 VanDerWaalsContact C-CG2 3.44Å; A281-V303 HydrophobicContact CB-CG2 3.62Å; A281-V303 WeakPolarHBondContact O-CG2 3.32Å; A281-A307 HydrophobicContact CB-CB 4Å; A281-I392 PolarHBondContact O-N 3.25Å
282Y98.8Very high98.6Very high61 Ų6139.3 Ų39.324%0.23924%0.24CC..EExtended strand (participates in β ladder)trans-141.2158.7170.551.9-100.8000111.1V100 C103 Q104 V303 A390 L391V100-Y282 HydrophobicContact CB-CD2 4.33Å; V100-Y282 HydrophobicContact CB-CG 4.38Å; V100-Y282 HydrophobicContact CG1-CD1 4.49Å; V100-Y282 HydrophobicContact CG1-CD2 3.59Å; V100-Y282 HydrophobicContact CG1-CE1 4.41Å; V100-Y282 HydrophobicContact CG1-CE2 3.51Å; V100-Y282 HydrophobicContact CG1-CG 4.11Å; V100-Y282 HydrophobicContact CG2-CD1 4.13Å; V100-Y282 HydrophobicContact CG2-CD2 3.87Å; V100-Y282 HydrophobicContact CG2-CG 3.64Å; C103-Y282 HydrophobicContact CB-CD1 4.43Å; C103-Y282 HydrophobicContact CB-CE1 3.7Å; Q104-Y282 WeakPolarHBondContact CG-OH 3.36Å; Y282-V303 VanDerWaalsContact CA-CG2 3.44Å; Y282-A390 CarbonylContact C-O 3.58Å; Y282-A390 VanDerWaalsContact CA-O 3.23Å; Y282-A390 WeakPolarHBondContact CA-O 3.47Å; Y282-A390 WeakPolarHBondContact CB-O 3.36Å; Y282-L391 HydrophobicContact CD1-CD1 4.38Å
283H98.8Very high98.6Very high29 Ų2934.2 Ų34.213%0.13420%0.204CC..EExtended strand (participates in β ladder)trans-149.6140.2172.7-164.1102.3000110.9E302 V303 K306 I389 A390H283-E302 HydrophobicContact CB-CB 4.45Å; H283-E302 WeakPolarHBondContact CE1-CB 3.46Å; H283-E302 WeakPolarHBondContact ND1-CB 3.38Å; H283-V303 HydrophobicContact CB-CB 3.72Å; H283-V303 HydrophobicContact CB-CG2 4.39Å; H283-K306 WeakPolarHBondContact ND1-CE 3.36Å; H283-K306 PolarHBondContact ND1-NZ 3.27Å; H283-I389 CarbonylContact O-C 3.5Å; H283-I389 WeakPolarHBondContact O-CA 3.45Å; H283-A390 PolarHBondContact N-O 2.9Å; H283-A390 PolarHBondContact O-N 3.05Å
284S98.7Very high98.7Very high38 Ų3834.3 Ų34.327%0.26621%0.205SC..EExtended strand (participates in β ladder)trans-118.9137.1166-64.10000108.9G388 I389S284-G388 CarbonylContact C-O 3.5Å; S284-G388 VanDerWaalsContact CA-O 3.25Å; S284-G388 WeakPolarHBondContact CA-O 3.35Å; S284-I389 WeakPolarHBondContact OG-CD1 3.46Å; S284-I389 WeakPolarHBondContact OG-CG1 3.31Å
285S98.6Very high98.7Very high29 Ų2929.8 Ų29.820%0.20318%0.177CC..EExtended strand (participates in β ladder)trans-133.9147.5-179.2-172.40000111.2Q387 G388S285-Q387 CarbonylContact O-C 3.55Å; S285-Q387 WeakPolarHBondContact O-CA 3.3Å; S285-Q387 WeakPolarHBondContact O-CB 3.4Å; S285-G388 PolarHBondContact N-O 3.46Å; S285-G388 PolarHBondContact O-N 3.01Å
286G98.8Very high98.7Very high54 Ų5428 Ų2856%0.55717%0.166SC*.EExtended strand (participates in β ladder)trans-83.4154.3167.700000111.4G386G286-G386 CarbonylContact C-O 3.55Å; G286-G386 WeakPolarHBondContact CA-O 3.31Å
287C98.7Very high98.7Very high32 Ų3227.9 Ų27.922%0.21617%0.166CC..  trans-148.3176171.564.70000109.8P289 I294 G386C287-P289 WeakPolarHBondContact O-CD 3.41Å; C287-I294 HydrophobicContact CB-CG2 4.22Å; C287-G386 PolarHBondContact N-O 3.41Å; C287-G386 WeakPolarHBondContact O-CA 3.37Å; C287-G386 VanDerWaalsContact O-O 3.05Å
288D98.6Very high98.7Very high79 Ų7929.6 Ų29.642%0.42218%0.177SC..  trans-61.1122.3176.8179.7-17.4000110.6T290 I291 M292D288-T290 PolarHBondContact O-N 2.81Å; D288-T290 WeakPolarHBondContact OD1-CB 3.35Å; D288-T290 WeakPolarHBondContact OD1-CG2 3.45Å; D288-T290 PolarHBondContact OD1-N 3.25Å; D288-T290 PolarHBondContact OD1-OG1 3.29Å; D288-T290 PolarHBondContact OD2-OG1 3.28Å; D288-I291 HydrophobicContact CB-CD1 4.21Å; D288-I291 HydrophobicContact CB-CG1 3.75Å; D288-I291 CarbonylContact O-C 3.57Å; D288-I291 PolarHBondContact O-N 3.25Å; D288-M292 PolarHBondContact O-N 3.37Å
289P98.6Very high98.7Very high30 Ų3026.3 Ų26.320%0.19517%0.165CC..G310 helixtrans-59.5-26.5-179.4-21.331.4000114V157 C287 I291 M292V157-P289 HydrophobicContact CG1-CB 3.94Å; V157-P289 HydrophobicContact CG1-CG 4.43Å; V157-P289 HydrophobicContact CG2-CB 4.33Å; C287-P289 WeakPolarHBondContact O-CD 3.41Å; P289-I291 PolarHBondContact O-N 2.93Å; P289-M292 PolarHBondContact O-N 3.12Å
290T98.6Very high98.7Very high40 Ų4025.8 Ų25.825%0.24516%0.161CC..G310 helixtrans-69.5-14.9178.770.70000113.4V157 I159 T164 N167 D288V157-T290 HydrophobicContact CB-CG2 4.25Å; V157-T290 HydrophobicContact CG1-CG2 3.95Å; I159-T290 HydrophobicContact CD1-CG2 3.97Å; T164-T290 WeakPolarHBondContact CA-O 3.36Å; T164-T290 WeakPolarHBondContact CB-O 3.4Å; N167-T290 PolarHBondContact ND2-O 3.42Å; D288-T290 PolarHBondContact O-N 2.81Å; D288-T290 WeakPolarHBondContact OD1-CB 3.35Å; D288-T290 WeakPolarHBondContact OD1-CG2 3.45Å; D288-T290 PolarHBondContact OD1-N 3.25Å; D288-T290 PolarHBondContact OD1-OG1 3.29Å; D288-T290 PolarHBondContact OD2-OG1 3.28Å
291I98.7Very high98.7Very high19 Ų1927.2 Ų27.210%0.09717%0.171CC..G310 helixtrans-13635.6177.754.3167.8000110.9N167 L168 D288 P289 G293 I294N167-I291 HydrophobicContact CB-CG2 3.82Å; L168-I291 HydrophobicContact CD2-CB 3.94Å; L168-I291 HydrophobicContact CD2-CG2 4.15Å; L168-I291 HydrophobicContact CG-CB 4.17Å; L168-I291 HydrophobicContact CG-CG2 4.28Å; D288-I291 HydrophobicContact CB-CD1 4.21Å; D288-I291 HydrophobicContact CB-CG1 3.75Å; D288-I291 CarbonylContact O-C 3.57Å; D288-I291 PolarHBondContact O-N 3.25Å; P289-I291 PolarHBondContact O-N 2.93Å; I291-G293 PolarHBondContact O-N 3.41Å; I291-I294 HydrophobicContact CD1-CG2 4.18Å; I291-I294 HydrophobicContact CG1-CG2 4.34Å; I291-I294 WeakPolarHBondContact O-CG2 3.36Å; I291-I294 PolarHBondContact O-N 2.98Å
292M98.7Very high98.8Very high4 Ų429.6 Ų29.62%0.0218%0.179CC..G310 helixtrans-47.6-29.5-174.471.982.9-17100114.3M161 T164 D288 P289 I294 G295 F323 C382M161-M292 HydrophobicContact CB-CE 4.3Å; M161-M292 HydrophobicContact SD-CE 3.85Å; M161-M292 HydrophobicContact SD-CG 4.25Å; M161-M292 HydrophobicContact SD-SD 4.45Å; T164-M292 HydrophobicContact CG2-CG 4.29Å; D288-M292 PolarHBondContact O-N 3.37Å; P289-M292 PolarHBondContact O-N 3.12Å; M292-I294 PolarHBondContact O-N 2.9Å; M292-G295 PolarHBondContact O-N 2.96Å; M292-F323 HydrophobicContact CE-CE2 4.48Å; M292-C382 HydrophobicContact SD-CB 4.07Å
293G98.7Very high98.8Very high0 Ų026.7 Ų26.70%017%0.168CC..G310 helixtrans-54.3-22.6176.600000115.2I291 G295 P296 Q326 C382I291-G293 PolarHBondContact O-N 3.41Å; G293-G295 VanDerWaalsContact C-N 3.31Å; G293-P296 VanDerWaalsContact O-CD 3.3Å; G293-P296 WeakPolarHBondContact O-CD 3.49Å; G293-Q326 WeakPolarHBondContact O-CG 3.29Å; G293-Q326 PolarHBondContact O-NE2 3.01Å; G293-C382 WeakPolarHBondContact O-CB 3.18Å
294I98.9Very high98.8Very high15 Ų1525.8 Ų25.88%0.07716%0.164CC..G310 helixtrans-81.4-9179.5-152.561.4000113.5L168 Y172 C287 I291 M292 P296 V297 P298 A329 V330 A333L168-I294 HydrophobicContact CD2-CB 4.07Å; L168-I294 HydrophobicContact CD2-CD1 4.21Å; L168-I294 HydrophobicContact CD2-CG1 4.47Å; Y172-I294 HydrophobicContact CE2-CD1 4.01Å; C287-I294 HydrophobicContact CB-CG2 4.22Å; I291-I294 HydrophobicContact CD1-CG2 4.18Å; I291-I294 HydrophobicContact CG1-CG2 4.34Å; I291-I294 WeakPolarHBondContact O-CG2 3.36Å; I291-I294 PolarHBondContact O-N 2.98Å; M292-I294 PolarHBondContact O-N 2.9Å; I294-P296 VanDerWaalsContact C-N 3.25Å; I294-P296 WeakPolarHBondContact O-CD 3.4Å; I294-V297 HydrophobicContact CD1-CG2 3.55Å; I294-V297 HydrophobicContact CG1-CB 4.26Å; I294-V297 HydrophobicContact CG1-CG2 3.77Å; I294-V297 WeakPolarHBondContact O-CB 3.46Å; I294-V297 WeakPolarHBondContact O-CG2 3.31Å; I294-V297 PolarHBondContact O-N 3.27Å; I294-P298 WeakPolarHBondContact O-CD 3.49Å; I294-A329 HydrophobicContact CD1-CB 4.25Å; I294-V330 HydrophobicContact CD1-CG2 4.33Å; I294-A333 HydrophobicContact CD1-CB 4.34Å
295G98.9Very high98.7Very high0 Ų031 Ų310%018%0.182CC..THydrogen-bonded Turntrans-45.9-35.5-178.400000116.4M292 G293 V297 P298 A299M292-G295 PolarHBondContact O-N 2.96Å; G293-G295 VanDerWaalsContact C-N 3.31Å; G295-V297 PolarHBondContact O-N 2.85Å; G295-P298 VanDerWaalsContact O-CD 3.22Å; G295-P298 WeakPolarHBondContact O-CD 3.39Å; G295-P298 WeakPolarHBondContact O-CG 3.18Å; G295-A299 WeakPolarHBondContact O-CB 3.42Å; G295-A299 PolarHBondContact O-N 2.91Å
296P98.9Very high98.6Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-58.5-29.4174.2-2938.4000114.5G293 I294 A299 I300 V319 V330 C382G293-P296 VanDerWaalsContact O-CD 3.3Å; G293-P296 WeakPolarHBondContact O-CD 3.49Å; I294-P296 VanDerWaalsContact C-N 3.25Å; I294-P296 WeakPolarHBondContact O-CD 3.4Å; P296-A299 PolarHBondContact O-N 2.98Å; P296-I300 HydrophobicContact CB-CD1 4.22Å; P296-I300 VanDerWaalsContact O-CB 3.24Å; P296-I300 WeakPolarHBondContact O-CB 3.42Å; P296-I300 VanDerWaalsContact O-CG1 3.24Å; P296-I300 WeakPolarHBondContact O-CG1 3.48Å; P296-I300 PolarHBondContact O-N 3.49Å; P296-V319 HydrophobicContact CB-CG1 4.25Å; P296-V319 HydrophobicContact CG-CG1 4.07Å; P296-V330 HydrophobicContact CB-CG1 3.91Å; P296-V330 HydrophobicContact CB-CG2 4.12Å; P296-V330 HydrophobicContact CG-CG2 4.12Å; P296-C382 HydrophobicContact CG-CB 4.14Å
297V98.9Very high98.6Very high26 Ų2634.5 Ų34.516%0.15818%0.184CC..Hα-helixtrans-59.5-63.2-179.8178.60000111.1I294 G295 A299 I300 T301 V330 A333 L334I294-V297 HydrophobicContact CD1-CG2 3.55Å; I294-V297 HydrophobicContact CG1-CB 4.26Å; I294-V297 HydrophobicContact CG1-CG2 3.77Å; I294-V297 WeakPolarHBondContact O-CB 3.46Å; I294-V297 WeakPolarHBondContact O-CG2 3.31Å; I294-V297 PolarHBondContact O-N 3.27Å; G295-V297 PolarHBondContact O-N 2.85Å; V297-A299 VanDerWaalsContact C-N 3.28Å; V297-A299 PolarHBondContact O-N 3.32Å; V297-I300 PolarHBondContact O-N 3.06Å; V297-T301 WeakPolarHBondContact O-CB 3.41Å; V297-T301 PolarHBondContact O-N 2.89Å; V297-T301 PolarHBondContact O-OG1 3.09Å; V297-V330 HydrophobicContact CG2-CB 4.36Å; V297-V330 HydrophobicContact CG2-CG1 4.1Å; V297-V330 HydrophobicContact CG2-CG2 4.23Å; V297-A333 HydrophobicContact CG1-CB 4.35Å; V297-A333 HydrophobicContact CG2-CB 3.73Å; V297-L334 HydrophobicContact CB-CD2 4.49Å; V297-L334 HydrophobicContact CB-CG 4.49Å; V297-L334 HydrophobicContact CG1-CD2 3.92Å; V297-L334 HydrophobicContact CG1-CG 4.29Å; V297-L334 HydrophobicContact CG2-CG 4.18Å
298P98.8Very high98.5Very high37 Ų3736.3 Ų36.324%0.2421%0.207CC..Hα-helixtrans-64.5-31.9178.226.7-35.9000112.6I294 G295 E302I294-P298 WeakPolarHBondContact O-CD 3.49Å; G295-P298 VanDerWaalsContact O-CD 3.22Å; G295-P298 WeakPolarHBondContact O-CD 3.39Å; G295-P298 WeakPolarHBondContact O-CG 3.18Å; P298-E302 WeakPolarHBondContact O-CB 3.25Å; P298-E302 WeakPolarHBondContact O-CG 3.36Å; P298-E302 PolarHBondContact O-N 2.93Å
299A98.9Very high98.5Very high0 Ų033.8 Ų33.80%019%0.194CC..Hα-helixtrans-65.6-47.5178.600000112.4G295 P296 V297 V303 A390G295-A299 WeakPolarHBondContact O-CB 3.42Å; G295-A299 PolarHBondContact O-N 2.91Å; P296-A299 PolarHBondContact O-N 2.98Å; V297-A299 VanDerWaalsContact C-N 3.28Å; V297-A299 PolarHBondContact O-N 3.32Å; A299-V303 WeakPolarHBondContact O-CB 3.49Å; A299-V303 WeakPolarHBondContact O-CG1 3.45Å; A299-V303 PolarHBondContact O-N 2.9Å; A299-A390 HydrophobicContact CB-CB 3.92Å
300I98.9Very high98.5Very high0 Ų035.9 Ų35.90%021%0.206CC..Hα-helixtrans-66.3-47177.7-70.1167.9000110.5P296 V297 E302 V303 L304 L311 V319 L334 V378 A390P296-I300 HydrophobicContact CB-CD1 4.22Å; P296-I300 VanDerWaalsContact O-CB 3.24Å; P296-I300 WeakPolarHBondContact O-CB 3.42Å; P296-I300 VanDerWaalsContact O-CG1 3.24Å; P296-I300 WeakPolarHBondContact O-CG1 3.48Å; P296-I300 PolarHBondContact O-N 3.49Å; V297-I300 PolarHBondContact O-N 3.06Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.15Å; I300-V303 VanDerWaalsContact O-CG1 3.31Å; I300-V303 WeakPolarHBondContact O-CG1 3.2Å; I300-V303 PolarHBondContact O-N 3.07Å; I300-L304 HydrophobicContact CG2-CD1 3.63Å; I300-L304 HydrophobicContact CG2-CG 4.27Å; I300-L304 WeakPolarHBondContact O-CB 3.23Å; I300-L304 VanDerWaalsContact O-CG 3.3Å; I300-L304 WeakPolarHBondContact O-CG 3.38Å; I300-L304 PolarHBondContact O-N 3.45Å; I300-L311 HydrophobicContact CG2-CD2 3.99Å; I300-V319 HydrophobicContact CD1-CG2 4.23Å; I300-L334 HydrophobicContact CB-CD1 4.04Å; I300-L334 HydrophobicContact CD1-CD1 3.67Å; I300-L334 HydrophobicContact CG1-CD1 4.46Å; I300-L334 HydrophobicContact CG2-CD1 4.08Å; I300-V378 HydrophobicContact CG1-CG2 4.24Å; I300-A390 HydrophobicContact CG1-CB 3.94Å
301T98.8Very high98.5Very high65 Ų6536.5 Ų36.540%0.39921%0.208SC..Hα-helixtrans-57.4-47.9180-61.30000111.5V297 K305V297-T301 WeakPolarHBondContact O-CB 3.41Å; V297-T301 PolarHBondContact O-N 2.89Å; V297-T301 PolarHBondContact O-OG1 3.09Å; T301-K305 WeakPolarHBondContact O-CB 3.26Å; T301-K305 PolarHBondContact O-N 2.74Å; T301-K305 VanDerWaalsContact O-N 3.12Å
302E98.8Very high98.5Very high64 Ų6444.5 Ų44.530%0.29924%0.242SC..Hα-helixtrans-75.8-31.6-177.3-69.1-59.8132.900113.2H283 P298 I300 K305 K306H283-E302 HydrophobicContact CB-CB 4.45Å; H283-E302 WeakPolarHBondContact CE1-CB 3.46Å; H283-E302 WeakPolarHBondContact ND1-CB 3.38Å; P298-E302 WeakPolarHBondContact O-CB 3.25Å; P298-E302 WeakPolarHBondContact O-CG 3.36Å; P298-E302 PolarHBondContact O-N 2.93Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.15Å; E302-K305 IonicContact OE2-NZ 3.73Å; E302-K306 WeakPolarHBondContact O-CB 3.47Å; E302-K306 VanDerWaalsContact O-CG 3.29Å; E302-K306 WeakPolarHBondContact O-CG 3.4Å; E302-K306 PolarHBondContact O-N 3.36Å
303V98.7Very high98.5Very high0 Ų047.4 Ų47.40%026%0.258CS..Hα-helixtrans-69-39.4175.272.40000111.8A281 Y282 H283 A299 I300 K306 A307 V378 A390 I392A281-V303 VanDerWaalsContact C-CG2 3.44Å; A281-V303 HydrophobicContact CB-CG2 3.62Å; A281-V303 WeakPolarHBondContact O-CG2 3.32Å; Y282-V303 VanDerWaalsContact CA-CG2 3.44Å; H283-V303 HydrophobicContact CB-CB 3.72Å; H283-V303 HydrophobicContact CB-CG2 4.39Å; A299-V303 WeakPolarHBondContact O-CB 3.49Å; A299-V303 WeakPolarHBondContact O-CG1 3.45Å; A299-V303 PolarHBondContact O-N 2.9Å; I300-V303 VanDerWaalsContact O-CG1 3.31Å; I300-V303 WeakPolarHBondContact O-CG1 3.2Å; I300-V303 PolarHBondContact O-N 3.07Å; V303-K306 PolarHBondContact O-N 2.97Å; V303-A307 WeakPolarHBondContact O-CB 3.36Å; V303-A307 PolarHBondContact O-N 3.11Å; V303-V378 HydrophobicContact CG1-CG2 4.31Å; V303-A390 HydrophobicContact CB-CB 4.44Å; V303-A390 HydrophobicContact CG1-CB 3.73Å; V303-I392 HydrophobicContact CB-CD1 4.36Å; V303-I392 HydrophobicContact CG1-CD1 3.91Å; V303-I392 HydrophobicContact CG1-CG1 3.92Å; V303-I392 HydrophobicContact CG2-CD1 3.83Å; V303-I392 HydrophobicContact CG2-CG1 3.83Å
304L98.7Very high98.5Very high10 Ų1047.5 Ų47.55%0.05226%0.258CS..Hα-helixtrans-62.3-46.6175-74.4170.1000110.9I300 K306 A307 G308 L309 L311 M314 I392I300-L304 HydrophobicContact CG2-CD1 3.63Å; I300-L304 HydrophobicContact CG2-CG 4.27Å; I300-L304 WeakPolarHBondContact O-CB 3.23Å; I300-L304 VanDerWaalsContact O-CG 3.3Å; I300-L304 WeakPolarHBondContact O-CG 3.38Å; I300-L304 PolarHBondContact O-N 3.45Å; L304-K306 PolarHBondContact O-N 3.37Å; L304-A307 CarbonylContact O-C 3.48Å; L304-A307 PolarHBondContact O-N 3.01Å; L304-A307 VanDerWaalsContact O-N 3.12Å; L304-G308 PolarHBondContact O-N 2.7Å; L304-L309 CarbonylContact C-O 3.53Å; L304-L309 HydrophobicContact CD2-CB 3.96Å; L304-L309 PolarHBondContact O-N 3.19Å; L304-L311 HydrophobicContact CD1-CB 4.47Å; L304-L311 HydrophobicContact CD1-CD2 3.81Å; L304-L311 HydrophobicContact CD1-CG 3.69Å; L304-M314 HydrophobicContact CD2-CE 3.88Å; L304-M314 HydrophobicContact CD2-CG 4.17Å; L304-M314 HydrophobicContact CD2-SD 4.04Å; L304-I392 HydrophobicContact CD2-CD1 3.83Å; L304-I392 HydrophobicContact CG-CD1 4.33Å
305K98.4Very high98.5Very high146 Ų14649.6 Ų49.664%0.63527%0.27SS*.Hα-helixtrans-57.8-45.7174.6-178.4-177.5174-171.40112.2T301 E302 A307 G308T301-K305 WeakPolarHBondContact O-CB 3.26Å; T301-K305 PolarHBondContact O-N 2.74Å; T301-K305 VanDerWaalsContact O-N 3.12Å; E302-K305 IonicContact OE2-NZ 3.73Å; K305-A307 VanDerWaalsContact C-N 3.28Å; K305-A307 PolarHBondContact O-N 2.96Å; K305-G308 PolarHBondContact O-N 2.87Å; K305-G308 VanDerWaalsContact O-N 3.15Å
306K96.6Very high98.5Very high128 Ų12849.7 Ų49.756%0.55727%0.27SS*.Hα-helixtrans-60.3-36.8175.8-79.6176.8172.4-176.30112.6H283 E302 V303 L304 G308H283-K306 WeakPolarHBondContact ND1-CE 3.36Å; H283-K306 PolarHBondContact ND1-NZ 3.27Å; E302-K306 WeakPolarHBondContact O-CB 3.47Å; E302-K306 VanDerWaalsContact O-CG 3.29Å; E302-K306 WeakPolarHBondContact O-CG 3.4Å; E302-K306 PolarHBondContact O-N 3.36Å; V303-K306 PolarHBondContact O-N 2.97Å; L304-K306 PolarHBondContact O-N 3.37Å; K306-G308 VanDerWaalsContact C-N 3.31Å
307A97.3Very high98.5Very high30 Ų3050 Ų5025%0.24827%0.272CS..Hα-helixtrans-81.2-8178.400000113.8V280 A281 V303 L304 K305 L309 I392V280-A307 HydrophobicContact CG1-CB 3.96Å; A281-A307 HydrophobicContact CB-CB 4Å; V303-A307 WeakPolarHBondContact O-CB 3.36Å; V303-A307 PolarHBondContact O-N 3.11Å; L304-A307 CarbonylContact O-C 3.48Å; L304-A307 PolarHBondContact O-N 3.01Å; L304-A307 VanDerWaalsContact O-N 3.12Å; K305-A307 VanDerWaalsContact C-N 3.28Å; K305-A307 PolarHBondContact O-N 2.96Å; A307-L309 HydrophobicContact CB-CB 4.26Å; A307-L309 HydrophobicContact CB-CD1 3.82Å; A307-L309 HydrophobicContact CB-CG 3.9Å; A307-L309 PolarHBondContact O-N 3.39Å; A307-I392 HydrophobicContact CB-CD1 3.88Å
308G97.8Very high98.5Very high69 Ų6949 Ų4971%0.71127%0.265SS*.THydrogen-bonded Turntrans65.628.5-17100000113L304 K305 K306L304-G308 PolarHBondContact O-N 2.7Å; K305-G308 PolarHBondContact O-N 2.87Å; K305-G308 VanDerWaalsContact O-N 3.15Å; K306-G308 VanDerWaalsContact C-N 3.31Å
309L98.4Very high98.5Very high26 Ų2647.2 Ų47.214%0.13625%0.254CS..  trans-114.8168.2-177.6-63.4175.3000111L304 A307 D313 M314 Y376 I392L304-L309 CarbonylContact C-O 3.53Å; L304-L309 HydrophobicContact CD2-CB 3.96Å; L304-L309 PolarHBondContact O-N 3.19Å; A307-L309 HydrophobicContact CB-CB 4.26Å; A307-L309 HydrophobicContact CB-CD1 3.82Å; A307-L309 HydrophobicContact CB-CG 3.9Å; A307-L309 PolarHBondContact O-N 3.39Å; L309-D313 HydrophobicContact CD2-CB 4.24Å; L309-M314 HydrophobicContact CB-CE 4.37Å; L309-M314 HydrophobicContact CD1-CE 3.88Å; L309-Y376 HydrophobicContact CD1-CD1 4.14Å; L309-Y376 HydrophobicContact CD1-CD2 4.43Å; L309-Y376 HydrophobicContact CD1-CE1 4.07Å; L309-Y376 HydrophobicContact CD1-CE2 4.35Å; L309-Y376 HydrophobicContact CD1-CG 4.32Å; L309-Y376 HydrophobicContact CD2-CE2 3.96Å; L309-I392 HydrophobicContact CD1-CD1 4.4Å; L309-I392 HydrophobicContact CD1-CG2 4.28Å
310T98.6Very high98.5Very high75 Ų7547.2 Ų47.246%0.4625%0.254SS..  trans-124.8166.3174.872.20000110.6K312 D313T310-K312 PolarHBondContact O-N 3.23Å; T310-K312 VanDerWaalsContact O-N 3.17Å; T310-K312 PolarHBondContact OG1-N 2.93Å; T310-D313 WeakPolarHBondContact CA-OD2 3.42Å; T310-D313 WeakPolarHBondContact CB-OD2 3.2Å; T310-D313 PolarHBondContact N-OD2 3.27Å; T310-D313 WeakPolarHBondContact O-CB 3.28Å; T310-D313 PolarHBondContact O-N 2.97Å; T310-D313 VanDerWaalsContact O-N 3.09Å; T310-D313 PolarHBondContact OG1-OD2 2.83Å
311L98.4Very high98.5Very high53 Ų5347.2 Ų47.228%0.27725%0.254SS..G310 helixtrans-58.6-26.9174-82.6170.5000112.9I300 L304 D313 M314 L334 L336I300-L311 HydrophobicContact CG2-CD2 3.99Å; L304-L311 HydrophobicContact CD1-CB 4.47Å; L304-L311 HydrophobicContact CD1-CD2 3.81Å; L304-L311 HydrophobicContact CD1-CG 3.69Å; L311-D313 PolarHBondContact O-N 3.47Å; L311-M314 WeakPolarHBondContact O-CB 3.46Å; L311-M314 PolarHBondContact O-N 2.84Å; L311-L334 HydrophobicContact CD1-CB 4Å; L311-L334 HydrophobicContact CD1-CD2 4.43Å; L311-L334 VanDerWaalsContact CD1-O 3.25Å; L311-L334 WeakPolarHBondContact CD1-O 3.38Å; L311-L336 HydrophobicContact CD1-CD2 4.25Å; L311-L336 HydrophobicContact CD2-CD2 3.87Å
312K98.4Very high98.5Very high186 Ų18644.3 Ų44.381%0.80924%0.237SC*.G310 helixtrans-68.4-26.6178.8-64.4-178.1-179.7179.30112.6T310 M314T310-K312 PolarHBondContact O-N 3.23Å; T310-K312 VanDerWaalsContact O-N 3.17Å; T310-K312 PolarHBondContact OG1-N 2.93Å; K312-M314 PolarHBondContact O-N 3.5Å
313D98.6Very high98.5Very high66 Ų6642.4 Ų42.435%0.35323%0.227SC..G310 helixtrans-76.7-13.2178.2-54.9-59.9000112.1L309 T310 L311 Y376L309-D313 HydrophobicContact CD2-CB 4.24Å; T310-D313 WeakPolarHBondContact CA-OD2 3.42Å; T310-D313 WeakPolarHBondContact CB-OD2 3.2Å; T310-D313 PolarHBondContact N-OD2 3.27Å; T310-D313 WeakPolarHBondContact O-CB 3.28Å; T310-D313 PolarHBondContact O-N 2.97Å; T310-D313 VanDerWaalsContact O-N 3.09Å; T310-D313 PolarHBondContact OG1-OD2 2.83Å; L311-D313 PolarHBondContact O-N 3.47Å; D313-Y376 HydrophobicContact CB-CD2 4.39Å
314M98.8Very high98.5Very high1 Ų142.4 Ų42.41%0.00523%0.227CC..  trans-80.9122.1178-57.4-62.698.300109.8L304 L309 L311 K312 V317 K340 Y376 V378L304-M314 HydrophobicContact CD2-CE 3.88Å; L304-M314 HydrophobicContact CD2-CG 4.17Å; L304-M314 HydrophobicContact CD2-SD 4.04Å; L309-M314 HydrophobicContact CB-CE 4.37Å; L309-M314 HydrophobicContact CD1-CE 3.88Å; L311-M314 WeakPolarHBondContact O-CB 3.46Å; L311-M314 PolarHBondContact O-N 2.84Å; K312-M314 PolarHBondContact O-N 3.5Å; M314-V317 HydrophobicContact CB-CG2 3.99Å; M314-K340 WeakPolarHBondContact O-CD 3.41Å; M314-K340 PolarHBondContact O-NZ 2.79Å; M314-K340 VanDerWaalsContact O-NZ 3.11Å; M314-Y376 VanDerWaalsContact CE-CB 3.41Å; M314-Y376 HydrophobicContact CE-CD2 4.39Å; M314-Y376 HydrophobicContact CE-CG 4Å; M314-V378 HydrophobicContact CG-CG1 3.91Å; M314-V378 HydrophobicContact SD-CB 3.86Å; M314-V378 HydrophobicContact SD-CG1 3.9Å
315D98.9Very high98.5Very high60 Ų6042 Ų4232%0.32123%0.225SC..SBendtrans-81.5-28.2170.1-65.3-58.2000111.3L369 K375 Y376D315-L369 HydrophobicContact CB-CD1 4Å; D315-K375 PolarHBondContact OD2-N 2.88Å; D315-Y376 PolarHBondContact N-O 3.09Å; D315-Y376 PolarHBondContact OD2-N 2.75Å
316L98.9Very high98.5Very high2 Ų235 Ų351%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-138142.1176-66.5172.3000112K340 V343 L365 E368 L369 Y376 A377 V378L316-K340 WeakPolarHBondContact CA-O 3.45Å; L316-V343 HydrophobicContact CD2-CB 4.41Å; L316-V343 HydrophobicContact CD2-CG1 3.83Å; L316-V343 HydrophobicContact CD2-CG2 3.68Å; L316-L365 HydrophobicContact CB-CD2 3.89Å; L316-L365 HydrophobicContact CD1-CD2 4.36Å; L316-E368 HydrophobicContact CD1-CB 4.07Å; L316-E368 HydrophobicContact CD1-CG 3.68Å; L316-L369 HydrophobicContact CD1-CB 4.04Å; L316-L369 HydrophobicContact CD1-CD1 4.18Å; L316-L369 HydrophobicContact CG-CD1 4.46Å; L316-Y376 PolarHBondContact N-O 3.03Å; L316-A377 HydrophobicContact CB-CB 3.87Å; L316-A377 WeakPolarHBondContact O-CA 3.44Å; L316-V378 PolarHBondContact O-N 3.11Å
317V98.9Very high98.6Very high7 Ų729 Ų294%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-127.8133.2172.8-179.50000108.4M314 V319 L336 K340 T341 N342 V378M314-V317 HydrophobicContact CB-CG2 3.99Å; V317-V319 HydrophobicContact CG1-CG2 4.17Å; V317-L336 HydrophobicContact CG1-CD1 4.23Å; V317-L336 HydrophobicContact CG1-CD2 4.26Å; V317-K340 PolarHBondContact N-O 2.87Å; V317-T341 HydrophobicContact CB-CG2 4.13Å; V317-T341 HydrophobicContact CG1-CG2 4.06Å; V317-T341 CarbonylContact O-C 3.26Å; V317-T341 VanDerWaalsContact O-CA 3.23Å; V317-T341 WeakPolarHBondContact O-CA 3.43Å; V317-N342 PolarHBondContact O-N 3.35Å; V317-V378 CarbonylContact C-O 3.53Å; V317-V378 WeakPolarHBondContact CA-O 3.44Å; V317-V378 HydrophobicContact CB-CG1 4.27Å; V317-V378 HydrophobicContact CG1-CG1 4.03Å; V317-V378 HydrophobicContact CG2-CG1 3.9Å
318E98.9Very high98.7Very high3 Ų328.5 Ų28.51%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-118.3124.4166.4-81.7-86.614900109.7N342 R360 I361 L365 V378 G379 S380E318-N342 VanDerWaalsContact CA-OD1 3.31Å; E318-N342 WeakPolarHBondContact CA-OD1 3.27Å; E318-N342 WeakPolarHBondContact OE1-CA 3.43Å; E318-R360 IonicContact OE2-NH2 2.77Å; E318-I361 HydrophobicContact CB-CG2 3.39Å; E318-I361 HydrophobicContact CG-CG2 3.87Å; E318-L365 HydrophobicContact CB-CD1 4.14Å; E318-L365 HydrophobicContact CB-CD2 4.28Å; E318-L365 HydrophobicContact CB-CG 4.32Å; E318-L365 HydrophobicContact CG-CD1 4.27Å; E318-L365 HydrophobicContact CG-CD2 3.62Å; E318-L365 HydrophobicContact CG-CG 3.89Å; E318-V378 PolarHBondContact N-O 3.12Å; E318-G379 CarbonylContact O-C 3.5Å; E318-S380 PolarHBondContact O-N 2.94Å; E318-S380 PolarHBondContact O-OG 3Å
319V98.9Very high98.8Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-118.6114167.6179.60000106.4P296 I300 V317 E321 Y327 V330 L336 N342P296-V319 HydrophobicContact CB-CG1 4.25Å; P296-V319 HydrophobicContact CG-CG1 4.07Å; I300-V319 HydrophobicContact CD1-CG2 4.23Å; V317-V319 HydrophobicContact CG1-CG2 4.17Å; V319-E321 PolarHBondContact O-N 2.93Å; V319-Y327 HydrophobicContact CB-CD2 4.08Å; V319-Y327 HydrophobicContact CB-CE2 4.39Å; V319-Y327 HydrophobicContact CG1-CD2 4.32Å; V319-V330 HydrophobicContact CG1-CB 4.24Å; V319-V330 HydrophobicContact CG1-CG1 4.05Å; V319-V330 HydrophobicContact CG1-CG2 4.34Å; V319-V330 HydrophobicContact CG2-CG1 3.96Å; V319-L336 HydrophobicContact CG2-CD1 3.88Å; V319-N342 PolarHBondContact N-OD1 3.15Å; V319-N342 PolarHBondContact O-ND2 3.23Å; V319-N342 PolarHBondContact O-OD1 3.44Å
320N98.9Very high98.8Very high0 Ų024 Ų240%012%0.121CC..  trans-52.7128.7-179-172.358.9000111.7A322 Q326 H352 I361 S380 A381N320-A322 VanDerWaalsContact C-N 3.31Å; N320-A322 PolarHBondContact O-N 2.84Å; N320-Q326 PolarHBondContact O-OE1 3.12Å; N320-H352 PolarHBondContact ND2-CE1 3.22Å; N320-H352 PolarHBondContact ND2-ND1 3.35Å; N320-I361 HydrophobicContact CB-CD1 3.73Å; N320-S380 PolarHBondContact N-O 3.01Å; N320-A381 HydrophobicContact CB-CB 3.88Å
321E98.8Very high98.8Very high1 Ų122.4 Ų22.41%0.00511%0.109CC..  trans-85.861.7-173.3-54.7174.8177.500111.7Y182 T186 S251 V319 F323 N342 G346 A347 I348Y182-E321 HydrophobicContact CE1-CG 4.13Å; Y182-E321 VanDerWaalsContact OH-CD 3.28Å; Y182-E321 WeakPolarHBondContact OH-CG 3.44Å; Y182-E321 PolarHBondContact OH-OE1 2.99Å; T186-E321 VanDerWaalsContact OG1-CD 3.3Å; T186-E321 PolarHBondContact OG1-OE1 2.89Å; T186-E321 PolarHBondContact OG1-OE2 2.73Å; S251-E321 WeakPolarHBondContact CB-O 3.45Å; V319-E321 PolarHBondContact O-N 2.93Å; E321-F323 VanDerWaalsContact C-N 3.26Å; E321-F323 PolarHBondContact O-N 2.96Å; E321-N342 WeakPolarHBondContact CG-ND2 3.42Å; E321-N342 PolarHBondContact OE1-ND2 2.69Å; E321-G346 WeakPolarHBondContact OE1-CA 3.37Å; E321-G346 PolarHBondContact OE1-N 3.38Å; E321-G346 VanDerWaalsContact OE2-CA 3.26Å; E321-G346 WeakPolarHBondContact OE2-CA 3.48Å; E321-G346 PolarHBondContact OE2-N 2.84Å; E321-A347 HydrophobicContact CB-CB 4.13Å; E321-A347 PolarHBondContact OE2-N 3.28Å; E321-I348 HydrophobicContact CB-CD1 4.1Å; E321-I348 HydrophobicContact CB-CG1 3.92Å; E321-I348 PolarHBondContact OE2-N 2.81Å
322A98.4Very high98.8Very high4 Ų425.9 Ų25.93%0.03312%0.121CC..SBendtrans-58.7-43.3179.100000111S251 N320S251-A322 PolarHBondContact N-O 2.8Å; S251-A322 PolarHBondContact OG-O 3.38Å; S251-A322 VanDerWaalsContact OG-O 3.08Å; N320-A322 VanDerWaalsContact C-N 3.31Å; N320-A322 PolarHBondContact O-N 2.84Å
323F98.9Very high98.8Very high24 Ų2419.1 Ų19.111%0.10510%0.1CC..BIsolated β-bridgetrans-146144.3172-56.1-86.2000109.2M161 A162 A165 V245 A250 M292 E321 P325 Q326 Y327M161-F323 HydrophobicContact CB-CE2 4.05Å; M161-F323 HydrophobicContact CB-CZ 4.11Å; A162-F323 HydrophobicContact CB-CD1 4.4Å; A162-F323 HydrophobicContact CB-CE1 3.65Å; A162-F323 HydrophobicContact CB-CZ 3.89Å; A165-F323 HydrophobicContact CB-CB 3.67Å; A165-F323 HydrophobicContact CB-CD1 4.44Å; A165-F323 HydrophobicContact CB-CD2 3.72Å; A165-F323 HydrophobicContact CB-CG 3.68Å; V245-F323 HydrophobicContact CG1-CD1 3.72Å; V245-F323 HydrophobicContact CG1-CE1 4.11Å; V245-F323 HydrophobicContact CG2-CD1 4.45Å; A250-F323 HydrophobicContact CB-CD1 3.52Å; A250-F323 HydrophobicContact CB-CE1 3.78Å; M292-F323 HydrophobicContact CE-CE2 4.48Å; E321-F323 VanDerWaalsContact C-N 3.26Å; E321-F323 PolarHBondContact O-N 2.96Å; F323-P325 HydrophobicContact CB-CG 4.28Å; F323-Q326 HydrophobicContact CB-CB 4.08Å; F323-Q326 WeakPolarHBondContact O-CB 3.37Å; F323-Q326 PolarHBondContact O-N 2.87Å; F323-Q326 VanDerWaalsContact O-N 3.08Å; F323-Y327 PolarHBondContact O-N 3.28Å
324A98.9Very high98.9Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-52.6-49.3174.900000113.6C179 Y182 N249 Q326 Y327 L328 I348C179-A324 HydrophobicContact CB-CB 3.84Å; Y182-A324 HydrophobicContact CD1-CB 3.92Å; N249-A324 HydrophobicContact CB-CB 3.97Å; N249-A324 VanDerWaalsContact O-CB 3.31Å; N249-A324 WeakPolarHBondContact O-CB 3.5Å; N249-A324 PolarHBondContact O-N 3.21Å; A324-Q326 PolarHBondContact O-N 2.84Å; A324-Y327 PolarHBondContact O-N 3Å; A324-L328 WeakPolarHBondContact O-CB 3.47Å; A324-L328 VanDerWaalsContact O-CG 3.31Å; A324-L328 WeakPolarHBondContact O-CG 3.49Å; A324-L328 PolarHBondContact O-N 3.35Å; A324-I348 HydrophobicContact CB-CD1 3.84Å
325P98.8Very high98.8Very high0 Ų020.1 Ų20.10%012%0.12CC..Hα-helixtrans-65.4-27.4178.322.6-32000113.4A165 A169 I174 C179 V245 F323 A329A165-P325 HydrophobicContact CB-CG 4.09Å; A169-P325 HydrophobicContact CB-CB 3.77Å; I174-P325 VanDerWaalsContact CD1-O 3.25Å; I174-P325 WeakPolarHBondContact CD1-O 3.47Å; I174-P325 HydrophobicContact CG2-CB 4.35Å; C179-P325 VanDerWaalsContact SG-CD 3.57Å; V245-P325 HydrophobicContact CG2-CG 3.75Å; F323-P325 HydrophobicContact CB-CG 4.28Å; P325-A329 WeakPolarHBondContact O-CB 3.37Å; P325-A329 PolarHBondContact O-N 2.92Å; P325-A329 VanDerWaalsContact O-N 3.09Å
326Q98.9Very high98.8Very high0 Ų018 Ų180%011%0.109CC..Hα-helixtrans-69.1-48.7174.2170.5-83.9-44.500111A165 L168 G293 N320 F323 A324 A329 V330A165-Q326 HydrophobicContact CB-CB 4.23Å; L168-Q326 HydrophobicContact CD1-CB 4.24Å; L168-Q326 HydrophobicContact CD1-CG 4.21Å; G293-Q326 WeakPolarHBondContact O-CG 3.29Å; G293-Q326 PolarHBondContact O-NE2 3.01Å; N320-Q326 PolarHBondContact O-OE1 3.12Å; F323-Q326 HydrophobicContact CB-CB 4.08Å; F323-Q326 WeakPolarHBondContact O-CB 3.37Å; F323-Q326 PolarHBondContact O-N 2.87Å; F323-Q326 VanDerWaalsContact O-N 3.08Å; A324-Q326 PolarHBondContact O-N 2.84Å; Q326-A329 PolarHBondContact O-N 3.48Å; Q326-V330 PolarHBondContact O-N 3.18Å
327Y98.9Very high98.8Very high1 Ų121.8 Ų21.80%0.00413%0.129CC..Hα-helixtrans-57.4-50.3175.3163.6-92.5000111.2Y182 V319 F323 A324 A329 V330 E331 T341 N342Y182-Y327 AromaticContact CD1-CD1 3.93Å; Y182-Y327 HydrophobicContact CD1-CD1 3.93Å; Y182-Y327 HydrophobicContact CD1-CE1 4.47Å; Y182-Y327 AromaticContact CD2-CD1 3.79Å; Y182-Y327 HydrophobicContact CD2-CD1 3.79Å; Y182-Y327 AromaticContact CD2-CE1 3.5Å; Y182-Y327 HydrophobicContact CD2-CE1 3.5Å; Y182-Y327 AromaticContact CE1-CD1 3.46Å; Y182-Y327 HydrophobicContact CE1-CD1 3.46Å; Y182-Y327 VanDerWaalsContact CE1-CD1 3.46Å; Y182-Y327 AromaticContact CE1-CE1 4Å; Y182-Y327 HydrophobicContact CE1-CE1 4Å; Y182-Y327 AromaticContact CE1-CG 3.77Å; Y182-Y327 HydrophobicContact CE1-CG 3.77Å; Y182-Y327 AromaticContact CE2-CD1 3.35Å; Y182-Y327 HydrophobicContact CE2-CD1 3.35Å; Y182-Y327 AromaticContact CE2-CE1 2.93Å; Y182-Y327 HydrophobicContact CE2-CE1 2.93Å; Y182-Y327 HydrophobicContact CE2-CE2 4.27Å; Y182-Y327 HydrophobicContact CE2-CG 4.18Å; Y182-Y327 AromaticContact CE2-CZ 3.43Å; Y182-Y327 VanDerWaalsContact CE2-CZ 3.43Å; Y182-Y327 HydrophobicContact CG-CD1 4.06Å; Y182-Y327 HydrophobicContact CG-CE1 4.23Å; Y182-Y327 AromaticContact CZ-CD1 3.12Å; Y182-Y327 AromaticContact CZ-CD2 3.95Å; Y182-Y327 AromaticContact CZ-CE1 3.19Å; Y182-Y327 AromaticContact CZ-CE2 3.96Å; Y182-Y327 AromaticContact CZ-CG 3.53Å; Y182-Y327 AromaticContact CZ-CZ 3.58Å; Y182-Y327 WeakPolarHBondContact OH-CD1 3.24Å; Y182-Y327 VanDerWaalsContact OH-CD2 3.26Å; Y182-Y327 WeakPolarHBondContact OH-CD2 3.35Å; Y182-Y327 WeakPolarHBondContact OH-CE1 3.4Å; Y182-Y327 VanDerWaalsContact OH-CE2 3.22Å; Y182-Y327 WeakPolarHBondContact OH-CE2 3.36Å; Y182-Y327 VanDerWaalsContact OH-CG 3.32Å; Y182-Y327 VanDerWaalsContact OH-CZ 3.25Å; V319-Y327 HydrophobicContact CB-CD2 4.08Å; V319-Y327 HydrophobicContact CB-CE2 4.39Å; V319-Y327 HydrophobicContact CG1-CD2 4.32Å; F323-Y327 PolarHBondContact O-N 3.28Å; A324-Y327 PolarHBondContact O-N 3Å; Y327-A329 PolarHBondContact O-N 3.19Å; Y327-V330 WeakPolarHBondContact O-CA 3.25Å; Y327-V330 WeakPolarHBondContact O-CB 3.23Å; Y327-V330 PolarHBondContact O-N 2.79Å; Y327-E331 HydrophobicContact CE1-CB 4.19Å; Y327-E331 HydrophobicContact CE1-CG 4.49Å; Y327-E331 PolarHBondContact O-N 2.85Å; Y327-E331 PolarHBondContact OH-OE2 3.08Å; Y327-T341 HydrophobicContact CE2-CG2 3.78Å; Y327-N342 WeakPolarHBondContact CE2-ND2 3.42Å
328L98.9Very high98.7Very high20 Ų2023.6 Ų23.611%0.10514%0.141CC..Hα-helixtrans-62.3-32.6-177.4-71.2170.6000112.1I174 D178 Y182 A324 E331 K332I174-L328 HydrophobicContact CD1-CB 3.79Å; I174-L328 HydrophobicContact CG1-CB 4.26Å; I174-L328 HydrophobicContact CG2-CB 4.16Å; I174-L328 HydrophobicContact CG2-CD1 3.63Å; D178-L328 HydrophobicContact CB-CD1 3.96Å; Y182-L328 HydrophobicContact CD2-CD2 4.41Å; Y182-L328 HydrophobicContact CG-CD2 4.41Å; A324-L328 WeakPolarHBondContact O-CB 3.47Å; A324-L328 VanDerWaalsContact O-CG 3.31Å; A324-L328 WeakPolarHBondContact O-CG 3.49Å; A324-L328 PolarHBondContact O-N 3.35Å; L328-E331 PolarHBondContact O-N 3.26Å; L328-K332 VanDerWaalsContact O-CB 3.32Å; L328-K332 WeakPolarHBondContact O-CB 3.38Å; L328-K332 PolarHBondContact O-N 3.33Å
329A98.9Very high98.7Very high0 Ų029.1 Ų29.10%017%0.167CC..Hα-helixtrans-65.5-40.8173.500000112L168 Y172 I174 I294 P325 Q326 Y327 A333L168-A329 HydrophobicContact CB-CB 3.99Å; L168-A329 HydrophobicContact CD1-CB 4.33Å; L168-A329 HydrophobicContact CD2-CB 4.13Å; L168-A329 HydrophobicContact CG-CB 4.39Å; Y172-A329 HydrophobicContact CD2-CB 3.69Å; Y172-A329 HydrophobicContact CE2-CB 4.12Å; Y172-A329 HydrophobicContact CG-CB 3.92Å; I174-A329 HydrophobicContact CD1-CB 3.85Å; I294-A329 HydrophobicContact CD1-CB 4.25Å; P325-A329 WeakPolarHBondContact O-CB 3.37Å; P325-A329 PolarHBondContact O-N 2.92Å; P325-A329 VanDerWaalsContact O-N 3.09Å; Q326-A329 PolarHBondContact O-N 3.48Å; Y327-A329 PolarHBondContact O-N 3.19Å; A329-A333 WeakPolarHBondContact O-CB 3.13Å; A329-A333 PolarHBondContact O-N 2.94Å
330V98.9Very high98.7Very high0 Ų032.2 Ų32.20%018%0.18CC..Hα-helixtrans-67.6-45.4174.7177.80000110.8I294 P296 V297 V319 Q326 Y327 K332 A333 L334 L336I294-V330 HydrophobicContact CD1-CG2 4.33Å; P296-V330 HydrophobicContact CB-CG1 3.91Å; P296-V330 HydrophobicContact CB-CG2 4.12Å; P296-V330 HydrophobicContact CG-CG2 4.12Å; V297-V330 HydrophobicContact CG2-CB 4.36Å; V297-V330 HydrophobicContact CG2-CG1 4.1Å; V297-V330 HydrophobicContact CG2-CG2 4.23Å; V319-V330 HydrophobicContact CG1-CB 4.24Å; V319-V330 HydrophobicContact CG1-CG1 4.05Å; V319-V330 HydrophobicContact CG1-CG2 4.34Å; V319-V330 HydrophobicContact CG2-CG1 3.96Å; Q326-V330 PolarHBondContact O-N 3.18Å; Y327-V330 WeakPolarHBondContact O-CA 3.25Å; Y327-V330 WeakPolarHBondContact O-CB 3.23Å; Y327-V330 PolarHBondContact O-N 2.79Å; V330-K332 VanDerWaalsContact C-N 3.33Å; V330-K332 PolarHBondContact O-N 3.4Å; V330-A333 PolarHBondContact O-N 3.04Å; V330-L334 HydrophobicContact CG1-CD1 3.84Å; V330-L334 PolarHBondContact O-N 3.22Å; V330-L336 HydrophobicContact CG1-CD1 4.36Å
331E98.9Very high98.7Very high42 Ų4232.2 Ų32.220%0.19618%0.18CC..Hα-helixtrans-52.6-51.5176.2-173.2-169.170.800110.8Y327 L328 G335 L336Y327-E331 HydrophobicContact CE1-CB 4.19Å; Y327-E331 HydrophobicContact CE1-CG 4.49Å; Y327-E331 PolarHBondContact O-N 2.85Å; Y327-E331 PolarHBondContact OH-OE2 3.08Å; L328-E331 PolarHBondContact O-N 3.26Å; E331-G335 WeakPolarHBondContact O-CA 3.35Å; E331-G335 PolarHBondContact O-N 3.27Å; E331-L336 HydrophobicContact CG-CB 4.11Å; E331-L336 PolarHBondContact O-N 3.41Å
332K98.8Very high98.7Very high126 Ų12632.2 Ų32.255%0.54818%0.18SC..Hα-helixtrans-66.4-40.1179.2-172.7169.5-178.1173.10113.1Y172 L328 V330Y172-K332 HydrophobicContact CD1-CD 4.3Å; Y172-K332 HydrophobicContact CD1-CG 4.48Å; Y172-K332 PolarHBondContact O-NZ 2.92Å; L328-K332 VanDerWaalsContact O-CB 3.32Å; L328-K332 WeakPolarHBondContact O-CB 3.38Å; L328-K332 PolarHBondContact O-N 3.33Å; V330-K332 VanDerWaalsContact C-N 3.33Å; V330-K332 PolarHBondContact O-N 3.4Å
333A98.8Very high98.7Very high44 Ų4432.7 Ų32.736%0.36418%0.183SC..Hα-helixtrans-69.6-35.4-177.800000113.1Y172 I294 V297 A329 V330Y172-A333 HydrophobicContact CE1-CB 3.98Å; I294-A333 HydrophobicContact CD1-CB 4.34Å; V297-A333 HydrophobicContact CG1-CB 4.35Å; V297-A333 HydrophobicContact CG2-CB 3.73Å; A329-A333 WeakPolarHBondContact O-CB 3.13Å; A329-A333 PolarHBondContact O-N 2.94Å; V330-A333 PolarHBondContact O-N 3.04Å
334L98.7Very high98.7Very high27 Ų2731.8 Ų31.814%0.14118%0.179CC..Hα-helixtrans-95.2-13.8179.9-70.7176.4000113.4V297 I300 L311 V330 L336V297-L334 HydrophobicContact CB-CD2 4.49Å; V297-L334 HydrophobicContact CB-CG 4.49Å; V297-L334 HydrophobicContact CG1-CD2 3.92Å; V297-L334 HydrophobicContact CG1-CG 4.29Å; V297-L334 HydrophobicContact CG2-CG 4.18Å; I300-L334 HydrophobicContact CB-CD1 4.04Å; I300-L334 HydrophobicContact CD1-CD1 3.67Å; I300-L334 HydrophobicContact CG1-CD1 4.46Å; I300-L334 HydrophobicContact CG2-CD1 4.08Å; L311-L334 HydrophobicContact CD1-CB 4Å; L311-L334 HydrophobicContact CD1-CD2 4.43Å; L311-L334 VanDerWaalsContact CD1-O 3.25Å; L311-L334 WeakPolarHBondContact CD1-O 3.38Å; V330-L334 HydrophobicContact CG1-CD1 3.84Å; V330-L334 PolarHBondContact O-N 3.22Å; L334-L336 HydrophobicContact CB-CD2 3.61Å; L334-L336 HydrophobicContact CB-CG 3.88Å; L334-L336 HydrophobicContact CD1-CD2 3.98Å; L334-L336 HydrophobicContact CG-CD2 4.47Å
335G98.5Very high98.7Very high62 Ų6232 Ų3264%0.63918%0.181SC*.THydrogen-bonded Turntrans64.744.4-172.500000111.6E331E331-G335 WeakPolarHBondContact O-CA 3.35Å; E331-G335 PolarHBondContact O-N 3.27Å
336L98.7Very high98.7Very high14 Ų1432 Ų327%0.07318%0.181CC..  trans-65.7141.9-177.8-57.1-178.7000110.8L311 V317 V319 V330 E331 L334 P338 T341L311-L336 HydrophobicContact CD1-CD2 4.25Å; L311-L336 HydrophobicContact CD2-CD2 3.87Å; V317-L336 HydrophobicContact CG1-CD1 4.23Å; V317-L336 HydrophobicContact CG1-CD2 4.26Å; V319-L336 HydrophobicContact CG2-CD1 3.88Å; V330-L336 HydrophobicContact CG1-CD1 4.36Å; E331-L336 HydrophobicContact CG-CB 4.11Å; E331-L336 PolarHBondContact O-N 3.41Å; L334-L336 HydrophobicContact CB-CD2 3.61Å; L334-L336 HydrophobicContact CB-CG 3.88Å; L334-L336 HydrophobicContact CD1-CD2 3.98Å; L334-L336 HydrophobicContact CG-CD2 4.47Å; L336-P338 VanDerWaalsContact O-CD 3.28Å; L336-P338 WeakPolarHBondContact O-CD 3.39Å; L336-T341 HydrophobicContact CD1-CG2 3.88Å
337D98.6Very high98.7Very high82 Ų8232 Ų3244%0.43918%0.181SC..  trans-76.4115.1169.6-178.4-12.1000109E339 K340 T341D337-E339 PolarHBondContact O-N 3.31Å; D337-E339 VanDerWaalsContact O-N 3.15Å; D337-E339 WeakPolarHBondContact OD1-CB 3.4Å; D337-E339 PolarHBondContact OD1-N 3.48Å; D337-K340 HydrophobicContact CB-CB 4.3Å; D337-K340 HydrophobicContact CB-CD 4.48Å; D337-K340 HydrophobicContact CB-CG 4.34Å; D337-K340 PolarHBondContact O-N 3.22Å; D337-K340 VanDerWaalsContact O-N 3.09Å; D337-T341 WeakPolarHBondContact O-CB 3.31Å; D337-T341 PolarHBondContact O-N 2.9Å; D337-T341 PolarHBondContact O-OG1 3.23Å
338P96.6Very high98.6Very high45 Ų4532 Ų3229%0.29218%0.181SC..THydrogen-bonded Turntrans-60.9-25.9-178.8-23.135000112.7R189 L336 K340 T341R189-P338 PolarHBondContact NH1-O 2.91Å; R189-P338 VanDerWaalsContact NH1-O 3.15Å; R189-P338 PolarHBondContact NH2-O 2.97Å; L336-P338 VanDerWaalsContact O-CD 3.28Å; L336-P338 WeakPolarHBondContact O-CD 3.39Å; P338-K340 VanDerWaalsContact C-N 3.3Å; P338-T341 PolarHBondContact O-N 3.06Å; P338-T341 VanDerWaalsContact O-O 3.13Å
339E98.1Very high98.6Very high119 Ų11931.1 Ų31.156%0.55618%0.176SC*.THydrogen-bonded Turntrans-81-12-178.9-60.6-49.9114.200113.4K185 R189 D337 V343K185-E339 IonicContact NZ-OE1 4Å; K185-E339 PolarHBondContact NZ-OE1 2.95Å; R189-E339 IonicContact NH2-OE1 3.49Å; R189-E339 PolarHBondContact NH2-OE1 3.05Å; R189-E339 IonicContact NH2-OE2 2.66Å; D337-E339 PolarHBondContact O-N 3.31Å; D337-E339 VanDerWaalsContact O-N 3.15Å; D337-E339 WeakPolarHBondContact OD1-CB 3.4Å; D337-E339 PolarHBondContact OD1-N 3.48Å; E339-V343 VanDerWaalsContact O-CG1 3.26Å; E339-V343 WeakPolarHBondContact O-CG1 3.26Å
340K98.8Very high98.6Very high66 Ų6631.2 Ų31.229%0.28718%0.177SC..THydrogen-bonded Turntrans-106.1-9.3169.8-62.6-173.1173-165.70113.5M314 L316 V317 D337 P338 V343M314-K340 WeakPolarHBondContact O-CD 3.41Å; M314-K340 PolarHBondContact O-NZ 2.79Å; M314-K340 VanDerWaalsContact O-NZ 3.11Å; L316-K340 WeakPolarHBondContact CA-O 3.45Å; V317-K340 PolarHBondContact N-O 2.87Å; D337-K340 HydrophobicContact CB-CB 4.3Å; D337-K340 HydrophobicContact CB-CD 4.48Å; D337-K340 HydrophobicContact CB-CG 4.34Å; D337-K340 PolarHBondContact O-N 3.22Å; D337-K340 VanDerWaalsContact O-N 3.09Å; P338-K340 VanDerWaalsContact C-N 3.3Å; K340-V343 VanDerWaalsContact C-CG1 3.4Å
341T98.9Very high98.6Very high0 Ų031.2 Ų31.20%018%0.177CC..BIsolated β-bridgetrans-108.1127-172.1-51.80000111.7R189 V317 Y327 L336 D337 P338 V343R189-T341 PolarHBondContact NH1-O 3.16Å; V317-T341 HydrophobicContact CB-CG2 4.13Å; V317-T341 HydrophobicContact CG1-CG2 4.06Å; V317-T341 CarbonylContact O-C 3.26Å; V317-T341 VanDerWaalsContact O-CA 3.23Å; V317-T341 WeakPolarHBondContact O-CA 3.43Å; Y327-T341 HydrophobicContact CE2-CG2 3.78Å; L336-T341 HydrophobicContact CD1-CG2 3.88Å; D337-T341 WeakPolarHBondContact O-CB 3.31Å; D337-T341 PolarHBondContact O-N 2.9Å; D337-T341 PolarHBondContact O-OG1 3.23Å; P338-T341 PolarHBondContact O-N 3.06Å; P338-T341 VanDerWaalsContact O-O 3.13Å; T341-V343 VanDerWaalsContact C-N 3.3Å; T341-V343 PolarHBondContact O-N 2.98Å
342N98.9Very high98.6Very high0 Ų029.7 Ų29.70%017%0.17CC..SBendtrans48.551-178.4-61.95.3000111.9Y182 R189 V317 E318 V319 E321 Y327 N344 G345Y182-N342 PolarHBondContact OH-ND2 2.74Å; R189-N342 VanDerWaalsContact CD-O 3.3Å; R189-N342 WeakPolarHBondContact CD-O 3.35Å; R189-N342 PolarHBondContact NH1-O 2.95Å; V317-N342 PolarHBondContact O-N 3.35Å; E318-N342 VanDerWaalsContact CA-OD1 3.31Å; E318-N342 WeakPolarHBondContact CA-OD1 3.27Å; E318-N342 WeakPolarHBondContact OE1-CA 3.43Å; V319-N342 PolarHBondContact N-OD1 3.15Å; V319-N342 PolarHBondContact O-ND2 3.23Å; V319-N342 PolarHBondContact O-OD1 3.44Å; E321-N342 WeakPolarHBondContact CG-ND2 3.42Å; E321-N342 PolarHBondContact OE1-ND2 2.69Å; Y327-N342 WeakPolarHBondContact CE2-ND2 3.42Å; N342-N344 PolarHBondContact O-N 2.75Å; N342-G345 PolarHBondContact O-N 2.89Å
343V98.9Very high98.6Very high14 Ų1423.7 Ų23.79%0.08514%0.144CC..THydrogen-bonded Turntrans-67.9-22.2-165.3-61.30000113.8R189 L316 E339 K340 T341 E368R189-V343 WeakPolarHBondContact CD-O 3.5Å; L316-V343 HydrophobicContact CD2-CB 4.41Å; L316-V343 HydrophobicContact CD2-CG1 3.83Å; L316-V343 HydrophobicContact CD2-CG2 3.68Å; E339-V343 VanDerWaalsContact O-CG1 3.26Å; E339-V343 WeakPolarHBondContact O-CG1 3.26Å; K340-V343 VanDerWaalsContact C-CG1 3.4Å; T341-V343 VanDerWaalsContact C-N 3.3Å; T341-V343 PolarHBondContact O-N 2.98Å; V343-E368 HydrophobicContact CG2-CG 4.15Å
344N98.9Very high98.6Very high6 Ų622.3 Ų22.33%0.03213%0.13CC..THydrogen-bonded Turntrans-114.120.1-179.6-67.4-33.5000112.4C190 A193 Y198 F199 N342 H364 E368C190-N344 VanDerWaalsContact CA-O 3.28Å; C190-N344 WeakPolarHBondContact CA-O 3.46Å; C190-N344 PolarHBondContact N-O 2.76Å; A193-N344 HydrophobicContact CB-CB 3.63Å; Y198-N344 WeakPolarHBondContact CD2-OD1 3.45Å; F199-N344 HydrophobicContact CE1-CB 4.36Å; F199-N344 HydrophobicContact CZ-CB 4.17Å; N342-N344 PolarHBondContact O-N 2.75Å; N344-H364 WeakPolarHBondContact CB-NE2 3.18Å; N344-H364 PolarHBondContact ND2-CE1 3.39Å; N344-H364 PolarHBondContact ND2-NE2 3.07Å; N344-E368 WeakPolarHBondContact ND2-CG 3.31Å; N344-E368 PolarHBondContact ND2-OE1 2.68Å; N344-E368 PolarHBondContact ND2-OE2 2.78Å
345G98.6Very high98.5Very high3 Ų321 Ų213%0.03112%0.124CC..  trans78.6177-174.500000112.2T186 N342T186-G345 VanDerWaalsContact OG1-CA 3.3Å; T186-G345 WeakPolarHBondContact OG1-CA 3.41Å; N342-G345 PolarHBondContact O-N 2.89Å
346G98.6Very high98.6Very high1 Ų118.1 Ų18.11%0.019%0.093CC..  trans-155.2-155.8-173.400000113.1T186 E321 I348 A349 I350T186-G346 PolarHBondContact OG1-N 2.66Å; E321-G346 WeakPolarHBondContact OE1-CA 3.37Å; E321-G346 PolarHBondContact OE1-N 3.38Å; E321-G346 VanDerWaalsContact OE2-CA 3.26Å; E321-G346 WeakPolarHBondContact OE2-CA 3.48Å; E321-G346 PolarHBondContact OE2-N 2.84Å; G346-I348 PolarHBondContact O-N 3.1Å; G346-I348 VanDerWaalsContact O-N 3.12Å; G346-A349 WeakPolarHBondContact O-CA 3.26Å; G346-A349 WeakPolarHBondContact O-CB 3.45Å; G346-A349 PolarHBondContact O-N 2.73Å; G346-I350 WeakPolarHBondContact O-CG1 3.37Å; G346-I350 PolarHBondContact O-N 3.11Å
347A98.8Very high98.6Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-63.9-19-164.700000115.5S251 E321 A349 G351 H352S251-A347 WeakPolarHBondContact CA-O 3.36Å; S251-A347 VanDerWaalsContact CB-O 3.24Å; S251-A347 WeakPolarHBondContact CB-O 3.42Å; E321-A347 HydrophobicContact CB-CB 4.13Å; E321-A347 PolarHBondContact OE2-N 3.28Å; A347-A349 VanDerWaalsContact C-N 3.28Å; A347-G351 WeakPolarHBondContact CA-O 3.26Å; A347-G351 WeakPolarHBondContact CB-O 3.28Å; A347-G351 CarbonylContact O-C 3.51Å; A347-G351 WeakPolarHBondContact O-CA 3.37Å; A347-G351 PolarHBondContact O-N 3.13Å; A347-H352 HydrophobicContact CB-CB 4.11Å
348I98.9Very high98.6Very high2 Ų213.5 Ų13.51%0.017%0.069CC..Hα-helixtrans-66.7-35.1169.1-68.3166000110.5Y182 A183 T186 Q187 E321 A324 G346Y182-I348 HydrophobicContact CD1-CD1 3.89Å; Y182-I348 HydrophobicContact CE1-CD1 3.83Å; A183-I348 HydrophobicContact CB-CG2 4.07Å; T186-I348 HydrophobicContact CG2-CB 3.75Å; T186-I348 HydrophobicContact CG2-CD1 4.41Å; T186-I348 HydrophobicContact CG2-CG2 3.8Å; Q187-I348 PolarHBondContact NE2-O 3.04Å; E321-I348 HydrophobicContact CB-CD1 4.1Å; E321-I348 HydrophobicContact CB-CG1 3.92Å; E321-I348 PolarHBondContact OE2-N 2.81Å; A324-I348 HydrophobicContact CB-CD1 3.84Å; G346-I348 PolarHBondContact O-N 3.1Å; G346-I348 VanDerWaalsContact O-N 3.12Å
349A98.7Very high98.7Very high0 Ų011.4 Ų11.40%06%0.055CC..Hα-helixtrans-82.2-51.817700000112.3C190 H222 P223 G346 A347C190-A349 HydrophobicContact CB-CB 3.61Å; H222-A349 CarbonylContact C-O 3.53Å; H222-A349 VanDerWaalsContact C-O 3.26Å; H222-A349 PolarHBondContact CD2-O 3.38Å; P223-A349 WeakPolarHBondContact CA-O 3.3Å; P223-A349 WeakPolarHBondContact CD-O 3.22Å; G346-A349 WeakPolarHBondContact O-CA 3.26Å; G346-A349 WeakPolarHBondContact O-CB 3.45Å; G346-A349 PolarHBondContact O-N 2.73Å; A347-A349 VanDerWaalsContact C-N 3.28Å
350I98.4Very high98.7Very high2 Ų25.8 Ų5.81%0.013%0.029CC..Hα-helixtrans-101.2-7.1-169.260.1167.9000114.6F17 C190 D220 P223 G346F17-I350 WeakPolarHBondContact CB-O 3.17Å; C190-I350 VanDerWaalsContact SG-CG2 3.57Å; D220-I350 HydrophobicContact CB-CB 4.19Å; D220-I350 HydrophobicContact CB-CG2 4Å; D220-I350 VanDerWaalsContact OD2-CG2 3.25Å; D220-I350 WeakPolarHBondContact OD2-CG2 3.25Å; P223-I350 HydrophobicContact CG-CG2 3.9Å; G346-I350 WeakPolarHBondContact O-CG1 3.37Å; G346-I350 PolarHBondContact O-N 3.11Å
351G98.6Very high98.7Very high0 Ų02.6 Ų2.60%02%0.015CC..  trans93.7169.8-179.200000115.6C254 A347C254-G351 VanDerWaalsContact SG-CA 3.54Å; A347-G351 WeakPolarHBondContact CA-O 3.26Å; A347-G351 WeakPolarHBondContact CB-O 3.28Å; A347-G351 CarbonylContact O-C 3.51Å; A347-G351 WeakPolarHBondContact O-CA 3.37Å; A347-G351 PolarHBondContact O-N 3.13Å
352H98.8Very high98.7Very high11 Ų112.7 Ų2.75%0.0512%0.015CC..  trans-128.573.3-177-173.238.6000113.4C92 S251 G252 N320 A347 L354 S357C92-H352 PolarHBondContact SG-NE2 3.38Å; C92-H352 VanDerWaalsContact SG-NE2 3.37Å; S251-H352 WeakPolarHBondContact OG-CB 3.49Å; G252-H352 PolarHBondContact O-N 3.34Å; N320-H352 PolarHBondContact ND2-CE1 3.22Å; N320-H352 PolarHBondContact ND2-ND1 3.35Å; A347-H352 HydrophobicContact CB-CB 4.11Å; H352-L354 PolarHBondContact O-N 3.48Å; H352-L354 VanDerWaalsContact O-N 3.14Å; H352-S357 PolarHBondContact CE1-OG 3.48Å; H352-S357 VanDerWaalsContact ND1-CB 3.33Å; H352-S357 WeakPolarHBondContact ND1-CB 3.48Å; H352-S357 PolarHBondContact ND1-OG 3.43Å
353P98.6Very high98.7Very high0 Ų02.7 Ų2.70%02%0.015CC..  trans-64.1112.416425.9-30.8000108.8F17 E120 C254 G355 A356 S357F17-P353 HydrophobicContact CD1-CG 4.01Å; F17-P353 VanDerWaalsContact CD2-CD 3.41Å; F17-P353 HydrophobicContact CD2-CG 3.52Å; F17-P353 HydrophobicContact CE1-CG 3.7Å; F17-P353 HydrophobicContact CE2-CG 3.16Å; F17-P353 HydrophobicContact CG-CG 3.93Å; F17-P353 HydrophobicContact CZ-CG 3.25Å; E120-P353 HydrophobicContact CB-CB 3.82Å; C254-P353 WeakPolarHBondContact O-CB 3.48Å; P353-G355 PolarHBondContact O-N 3.06Å; P353-A356 HydrophobicContact CB-CB 4.04Å; P353-A356 HydrophobicContact CG-CB 3.95Å; P353-A356 PolarHBondContact O-N 3.15Å; P353-A356 VanDerWaalsContact O-N 3.12Å; P353-S357 PolarHBondContact O-N 3.12Å; P353-S357 PolarHBondContact O-OG 2.97Å
354L98.2Very high98.7Very high15 Ų152.1 Ų2.18%0.0791%0.012CC..THydrogen-bonded Turntrans-52-60.2-163.2-55.8174.8000112.5V59 M60 E120 M122 H352 A356V59-L354 HydrophobicContact CB-CB 4.08Å; V59-L354 HydrophobicContact CB-CD1 4.21Å; V59-L354 HydrophobicContact CG1-CD1 4.06Å; V59-L354 HydrophobicContact CG2-CB 3.75Å; M60-L354 HydrophobicContact CG-CD1 4.43Å; E120-L354 HydrophobicContact CG-CB 4.2Å; M122-L354 HydrophobicContact CE-CD1 4.11Å; M122-L354 HydrophobicContact CE-CD2 4.34Å; M122-L354 HydrophobicContact CE-CG 3.96Å; M122-L354 HydrophobicContact SD-CG 4.17Å; H352-L354 PolarHBondContact O-N 3.48Å; H352-L354 VanDerWaalsContact O-N 3.14Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.16Å
355G98.4Very high98.7Very high0 Ų02.1 Ų2.10%01%0.012CC..THydrogen-bonded Turntrans-65.4-30.6-179.200000114.5G95 G118 E120 P353G95-G355 VanDerWaalsContact CA-O 3.24Å; G95-G355 WeakPolarHBondContact CA-O 3.45Å; G95-G355 PolarHBondContact N-O 3.38Å; G118-G355 VanDerWaalsContact CA-O 3.27Å; G118-G355 WeakPolarHBondContact CA-O 3.26Å; E120-G355 PolarHBondContact OE2-N 3.45Å; P353-G355 PolarHBondContact O-N 3.06Å
356A98.8Very high98.8Very high0 Ų02 Ų20%01%0.01CC..THydrogen-bonded Turntrans-87.2-22.5-172.600000115.3F17 G118 G256 P353 L354 G358 S359 R360F17-A356 HydrophobicContact CE1-CB 4.37Å; F17-A356 HydrophobicContact CZ-CB 4.22Å; G118-A356 WeakPolarHBondContact O-CA 3.25Å; G118-A356 WeakPolarHBondContact O-CB 3.43Å; G256-A356 VanDerWaalsContact O-CB 3.25Å; G256-A356 WeakPolarHBondContact O-CB 2.98Å; P353-A356 HydrophobicContact CB-CB 4.04Å; P353-A356 HydrophobicContact CG-CB 3.95Å; P353-A356 PolarHBondContact O-N 3.15Å; P353-A356 VanDerWaalsContact O-N 3.12Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.16Å; A356-G358 VanDerWaalsContact C-N 3.31Å; A356-G358 PolarHBondContact O-N 2.83Å; A356-S359 PolarHBondContact O-N 3.34Å; A356-S359 VanDerWaalsContact O-N 3.1Å; A356-R360 PolarHBondContact O-N 2.85Å
357S98.9Very high98.8Very high0 Ų03.4 Ų3.40%02%0.016CC..Hα-helixtrans-63-37.1-168.1-65.60000113.1H352 P353 R360 I361H352-S357 PolarHBondContact CE1-OG 3.48Å; H352-S357 VanDerWaalsContact ND1-CB 3.33Å; H352-S357 WeakPolarHBondContact ND1-CB 3.48Å; H352-S357 PolarHBondContact ND1-OG 3.43Å; P353-S357 PolarHBondContact O-N 3.12Å; P353-S357 PolarHBondContact O-OG 2.97Å; S357-R360 PolarHBondContact O-N 2.79Å; S357-I361 VanDerWaalsContact O-CG1 3.29Å; S357-I361 WeakPolarHBondContact O-CG1 3.3Å; S357-I361 PolarHBondContact O-N 3.37Å
358G98.9Very high98.8Very high0 Ų03.5 Ų3.50%02%0.017CC..Hα-helixtrans-64-42.1175.200000112.9F96 A356 R360 I361 T362F96-G358 VanDerWaalsContact CD2-CA 3.41Å; F96-G358 VanDerWaalsContact CE2-CA 3.41Å; A356-G358 VanDerWaalsContact C-N 3.31Å; A356-G358 PolarHBondContact O-N 2.83Å; G358-R360 PolarHBondContact O-N 3.36Å; G358-I361 PolarHBondContact O-N 3.35Å; G358-T362 PolarHBondContact O-N 2.96Å; G358-T362 PolarHBondContact O-OG1 3.15Å
359S98.9Very high98.8Very high0 Ų03.4 Ų3.40%02%0.017CC..Hα-helixtrans-67.1-38.3177.5-52.30000111.8G95 G117 G118 A356 A363G95-S359 WeakPolarHBondContact CA-OG 3.47Å; G95-S359 PolarHBondContact O-OG 3.43Å; G117-S359 VanDerWaalsContact C-OG 3.31Å; G118-S359 PolarHBondContact N-OG 3.04Å; G118-S359 VanDerWaalsContact N-OG 3.08Å; A356-S359 PolarHBondContact O-N 3.34Å; A356-S359 VanDerWaalsContact O-N 3.1Å; S359-A363 WeakPolarHBondContact O-CB 3.4Å; S359-A363 PolarHBondContact O-N 2.98Å
360R98.9Very high98.8Very high1 Ų17.3 Ų7.30%0.0043%0.031CC..Hα-helixtrans-59.8-50.3171.5-179.4-148.860.288.8-12.5111.4R14 F17 E318 A356 S357 G358 T362 A363 H364R14-R360 HydrophobicContact CG-CG 4.16Å; F17-R360 HydrophobicContact CE1-CB 4.43Å; F17-R360 HydrophobicContact CE2-CB 4.38Å; F17-R360 HydrophobicContact CE2-CG 4.33Å; F17-R360 HydrophobicContact CZ-CB 3.71Å; F17-R360 HydrophobicContact CZ-CG 3.98Å; E318-R360 IonicContact OE2-NH2 2.77Å; A356-R360 PolarHBondContact O-N 2.85Å; S357-R360 PolarHBondContact O-N 2.79Å; G358-R360 PolarHBondContact O-N 3.36Å; R360-T362 VanDerWaalsContact C-N 3.34Å; R360-T362 PolarHBondContact O-N 3.27Å; R360-A363 PolarHBondContact O-N 3.23Å; R360-H364 WeakPolarHBondContact O-CB 3.44Å; R360-H364 PolarHBondContact O-N 3.3Å
361I98.9Very high98.8Very high0 Ų012.5 Ų12.50%05%0.051CC..Hα-helixtrans-58.5-48.2179.9-70.9164.4000110.3F96 E318 N320 S357 G358 A363 H364 L365F96-I361 HydrophobicContact CE1-CB 4.25Å; F96-I361 HydrophobicContact CE1-CG2 4.07Å; F96-I361 HydrophobicContact CE2-CB 4.5Å; F96-I361 HydrophobicContact CE2-CD1 4.08Å; F96-I361 HydrophobicContact CZ-CB 3.66Å; F96-I361 HydrophobicContact CZ-CD1 3.96Å; F96-I361 HydrophobicContact CZ-CG1 4.4Å; F96-I361 HydrophobicContact CZ-CG2 3.57Å; E318-I361 HydrophobicContact CB-CG2 3.39Å; E318-I361 HydrophobicContact CG-CG2 3.87Å; N320-I361 HydrophobicContact CB-CD1 3.73Å; S357-I361 VanDerWaalsContact O-CG1 3.29Å; S357-I361 WeakPolarHBondContact O-CG1 3.3Å; S357-I361 PolarHBondContact O-N 3.37Å; G358-I361 PolarHBondContact O-N 3.35Å; I361-A363 PolarHBondContact O-N 3.42Å; I361-H364 PolarHBondContact O-N 3.27Å; I361-L365 HydrophobicContact CG2-CD1 4.02Å; I361-L365 HydrophobicContact CG2-CG 4.31Å; I361-L365 WeakPolarHBondContact O-CB 3.49Å; I361-L365 WeakPolarHBondContact O-CG 3.33Å; I361-L365 PolarHBondContact O-N 3.05Å
362T98.9Very high98.8Very high2 Ų218 Ų181%0.0127%0.072CC..Hα-helixtrans-60.7-45.9178.2-58.10000111.6I9 F96 I99 V260 G358 R360 H364 L365 V366 L391I9-T362 HydrophobicContact CD1-CG2 3.87Å; F96-T362 WeakPolarHBondContact CD1-OG1 3.42Å; F96-T362 VanDerWaalsContact CE1-OG1 3.28Å; F96-T362 WeakPolarHBondContact CE1-OG1 3.37Å; I99-T362 HydrophobicContact CD1-CG2 3.86Å; V260-T362 HydrophobicContact CG2-CG2 4.38Å; G358-T362 PolarHBondContact O-N 2.96Å; G358-T362 PolarHBondContact O-OG1 3.15Å; R360-T362 VanDerWaalsContact C-N 3.34Å; R360-T362 PolarHBondContact O-N 3.27Å; T362-H364 VanDerWaalsContact C-N 3.33Å; T362-H364 PolarHBondContact O-N 3.24Å; T362-L365 PolarHBondContact O-N 3.4Å; T362-V366 HydrophobicContact CG2-CG2 4.43Å; T362-V366 VanDerWaalsContact O-CG2 3.3Å; T362-V366 WeakPolarHBondContact O-CG2 3.34Å; T362-V366 PolarHBondContact O-N 3.21Å; T362-L391 HydrophobicContact CG2-CD2 4Å
363A98.9Very high98.8Very high0 Ų020.4 Ų20.40%010%0.1CC..Hα-helixtrans-58.7-46.3176.900000111.5A12 S359 R360 I361 L365 V366 H367A12-A363 HydrophobicContact CB-CB 3.76Å; S359-A363 WeakPolarHBondContact O-CB 3.4Å; S359-A363 PolarHBondContact O-N 2.98Å; R360-A363 PolarHBondContact O-N 3.23Å; I361-A363 PolarHBondContact O-N 3.42Å; A363-L365 PolarHBondContact O-N 2.94Å; A363-V366 PolarHBondContact O-N 3.48Å; A363-H367 PolarHBondContact O-CD2 3.38Å; A363-H367 PolarHBondContact O-N 3.4Å
364H98.9Very high98.7Very high2 Ų220.9 Ų20.91%0.00910%0.104CC..Hα-helixtrans-59.7-49.3178.3-172.160.3000112.2F199 E202 N344 R360 I361 T362 V366 H367 E368F199-H364 AromaticContact CD1-CE1 3.97Å; F199-H364 AromaticContact CD1-ND1 3.83Å; F199-H364 AromaticContact CE1-CE1 3.62Å; F199-H364 AromaticContact CE1-ND1 3.72Å; E202-H364 IonicContact OE1-ND1 3.04Å; E202-H364 VanDerWaalsContact OE2-CA 3.29Å; E202-H364 WeakPolarHBondContact OE2-CA 3.49Å; E202-H364 WeakPolarHBondContact OE2-CB 3.32Å; E202-H364 IonicContact OE2-CE1 3.32Å; E202-H364 IonicContact OE2-CG 3.03Å; E202-H364 IonicContact OE2-ND1 3.99Å; E202-H364 PolarHBondContact OE2-ND1 3.27Å; N344-H364 WeakPolarHBondContact CB-NE2 3.18Å; N344-H364 PolarHBondContact ND2-CE1 3.39Å; N344-H364 PolarHBondContact ND2-NE2 3.07Å; R360-H364 WeakPolarHBondContact O-CB 3.44Å; R360-H364 PolarHBondContact O-N 3.3Å; I361-H364 PolarHBondContact O-N 3.27Å; T362-H364 VanDerWaalsContact C-N 3.33Å; T362-H364 PolarHBondContact O-N 3.24Å; H364-V366 VanDerWaalsContact C-N 3.32Å; H364-V366 PolarHBondContact O-N 2.9Å; H364-H367 PolarHBondContact O-N 2.94Å; H364-E368 VanDerWaalsContact O-CB 3.26Å; H364-E368 WeakPolarHBondContact O-CB 3.43Å; H364-E368 PolarHBondContact O-N 2.95Å
365L98.9Very high98.8Very high5 Ų525.5 Ų25.53%0.02612%0.124CC..Hα-helixtrans-60.1-40.8178.7-74.9-179.8000112.3L316 E318 I361 T362 A363 H367 L369 A377 G379 I393L316-L365 HydrophobicContact CB-CD2 3.89Å; L316-L365 HydrophobicContact CD1-CD2 4.36Å; E318-L365 HydrophobicContact CB-CD1 4.14Å; E318-L365 HydrophobicContact CB-CD2 4.28Å; E318-L365 HydrophobicContact CB-CG 4.32Å; E318-L365 HydrophobicContact CG-CD1 4.27Å; E318-L365 HydrophobicContact CG-CD2 3.62Å; E318-L365 HydrophobicContact CG-CG 3.89Å; I361-L365 HydrophobicContact CG2-CD1 4.02Å; I361-L365 HydrophobicContact CG2-CG 4.31Å; I361-L365 WeakPolarHBondContact O-CB 3.49Å; I361-L365 WeakPolarHBondContact O-CG 3.33Å; I361-L365 PolarHBondContact O-N 3.05Å; T362-L365 PolarHBondContact O-N 3.4Å; A363-L365 PolarHBondContact O-N 2.94Å; L365-H367 VanDerWaalsContact C-N 3.34Å; L365-H367 PolarHBondContact O-N 2.96Å; L365-L369 WeakPolarHBondContact O-CB 3.29Å; L365-L369 PolarHBondContact O-N 3.45Å; L365-A377 HydrophobicContact CB-CB 4.27Å; L365-A377 HydrophobicContact CD1-CB 4.2Å; L365-A377 HydrophobicContact CD2-CB 3.94Å; L365-A377 HydrophobicContact CG-CB 4.38Å; L365-G379 VanDerWaalsContact CD1-CA 3.42Å; L365-G379 VanDerWaalsContact CD1-N 3.35Å; L365-I393 HydrophobicContact CB-CD1 3.82Å
366V98.9Very high98.8Very high1 Ų127.1 Ų27.11%0.00613%0.13CC..Hα-helixtrans-58.4-47.4176.8168.20000110.9I9 L276 A277 T362 A363 H364 R370 I393I9-V366 HydrophobicContact CD1-CG2 3.64Å; I9-V366 HydrophobicContact CG2-CG2 4.19Å; L276-V366 HydrophobicContact CB-CG1 3.61Å; L276-V366 HydrophobicContact CD1-CG1 4Å; L276-V366 HydrophobicContact CG-CG1 4.47Å; A277-V366 HydrophobicContact CB-CG1 4.49Å; A277-V366 HydrophobicContact CB-CG2 4.11Å; T362-V366 HydrophobicContact CG2-CG2 4.43Å; T362-V366 VanDerWaalsContact O-CG2 3.3Å; T362-V366 WeakPolarHBondContact O-CG2 3.34Å; T362-V366 PolarHBondContact O-N 3.21Å; A363-V366 PolarHBondContact O-N 3.48Å; H364-V366 VanDerWaalsContact C-N 3.32Å; H364-V366 PolarHBondContact O-N 2.9Å; V366-R370 WeakPolarHBondContact O-CD 3.3Å; V366-R370 WeakPolarHBondContact O-CG 3.39Å; V366-R370 PolarHBondContact O-N 3.35Å; V366-I393 HydrophobicContact CB-CD1 4.38Å; V366-I393 HydrophobicContact CG2-CD1 3.66Å
367H98.9Very high98.8Very high30 Ų3027.1 Ų27.114%0.13913%0.13CC..Hα-helixtrans-76.4-42.2-177.1-67.9-65.7000112.7A12 A201 A363 H364 L365 R370 R371A12-H367 PolarHBondContact O-NE2 3.27Å; A201-H367 HydrophobicContact CB-CB 4.19Å; A363-H367 PolarHBondContact O-CD2 3.38Å; A363-H367 PolarHBondContact O-N 3.4Å; H364-H367 PolarHBondContact O-N 2.94Å; L365-H367 VanDerWaalsContact C-N 3.34Å; L365-H367 PolarHBondContact O-N 2.96Å; H367-R370 PolarHBondContact O-N 3.33Å; H367-R371 WeakPolarHBondContact O-CB 3.31Å; H367-R371 PolarHBondContact O-N 3.49Å
368E98.9Very high98.8Very high2 Ų227.1 Ų27.11%0.00913%0.13CC..Hα-helixtrans-71.3-38.1-177.9-178.462.8-178.600112.1L316 V343 N344 H364 R370 R371 R372L316-E368 HydrophobicContact CD1-CB 4.07Å; L316-E368 HydrophobicContact CD1-CG 3.68Å; V343-E368 HydrophobicContact CG2-CG 4.15Å; N344-E368 WeakPolarHBondContact ND2-CG 3.31Å; N344-E368 PolarHBondContact ND2-OE1 2.68Å; N344-E368 PolarHBondContact ND2-OE2 2.78Å; H364-E368 VanDerWaalsContact O-CB 3.26Å; H364-E368 WeakPolarHBondContact O-CB 3.43Å; H364-E368 PolarHBondContact O-N 2.95Å; E368-R370 VanDerWaalsContact C-N 3.32Å; E368-R370 PolarHBondContact O-N 3.08Å; E368-R371 PolarHBondContact O-N 3.49Å; E368-R371 IonicContact OE1-CZ 3.3Å; E368-R371 IonicContact OE1-NE 3.58Å; E368-R371 IonicContact OE1-NH2 3.59Å; E368-R371 PolarHBondContact OE1-NH2 3.13Å; E368-R371 IonicContact OE2-CZ 3.6Å; E368-R371 IonicContact OE2-NE 2.8Å; E368-R371 PolarHBondContact OE2-NE 2.67Å; E368-R371 IonicContact OE2-NH2 2.66Å; E368-R372 WeakPolarHBondContact O-CB 3.42Å; E368-R372 WeakPolarHBondContact O-CG 3.25Å; E368-R372 PolarHBondContact O-N 2.88Å; E368-R372 IonicContact OE1-CZ 2.56Å; E368-R372 VanDerWaalsContact OE1-CZ 3.26Å; E368-R372 IonicContact OE1-NE 2.69Å; E368-R372 PolarHBondContact OE1-NE 3.47Å; E368-R372 IonicContact OE1-NH2 3.6Å; E368-R372 PolarHBondContact OE1-NH2 2.98Å
369L98.8Very high98.8Very high1 Ų127.1 Ų27.11%0.00513%0.13CC..Hα-helixtrans-61.4-44.5175.4-174.265.2000110.6D315 L316 L365 R372 G373 G374 A377 I393 N395D315-L369 HydrophobicContact CB-CD1 4Å; L316-L369 HydrophobicContact CD1-CB 4.04Å; L316-L369 HydrophobicContact CD1-CD1 4.18Å; L316-L369 HydrophobicContact CG-CD1 4.46Å; L365-L369 WeakPolarHBondContact O-CB 3.29Å; L365-L369 PolarHBondContact O-N 3.45Å; L369-R372 PolarHBondContact O-N 3.32Å; L369-G373 PolarHBondContact O-N 3.49Å; L369-G373 VanDerWaalsContact O-N 3.11Å; L369-G374 PolarHBondContact O-N 2.94Å; L369-A377 HydrophobicContact CD1-CB 4.23Å; L369-A377 HydrophobicContact CD2-CB 3.92Å; L369-A377 HydrophobicContact CG-CB 4.47Å; L369-I393 HydrophobicContact CD2-CD1 4.35Å; L369-I393 HydrophobicContact CD2-CG1 4.21Å; L369-N395 HydrophobicContact CD2-CB 3.93Å; L369-N395 HydrophobicContact CG-CB 4.11Å
370R98.8Very high98.8Very high81 Ų8127.1 Ų27.131%0.30613%0.13SC..Hα-helixtrans-62.3-47.4174.5-71.5175.272.873.86.6112L276 V366 H367 E368 R372 G373 N395 T396L276-R370 WeakPolarHBondContact O-CD 3.33Å; L276-R370 PolarHBondContact O-NH1 3.28Å; V366-R370 WeakPolarHBondContact O-CD 3.3Å; V366-R370 WeakPolarHBondContact O-CG 3.39Å; V366-R370 PolarHBondContact O-N 3.35Å; H367-R370 PolarHBondContact O-N 3.33Å; E368-R370 VanDerWaalsContact C-N 3.32Å; E368-R370 PolarHBondContact O-N 3.08Å; R370-R372 PolarHBondContact O-N 2.92Å; R370-G373 PolarHBondContact O-N 3.04Å; R370-N395 WeakPolarHBondContact CG-OD1 3.38Å; R370-N395 PolarHBondContact NH1-OD1 2.95Å; R370-T396 PolarHBondContact NH1-OG1 3.22Å
371R98.7Very high98.8Very high111 Ų11127.1 Ų27.142%0.41913%0.131SC..Hα-helixtrans-58.2-36.3179-168.1-162.36673.9-1.2111.9H367 E368H367-R371 WeakPolarHBondContact O-CB 3.31Å; H367-R371 PolarHBondContact O-N 3.49Å; E368-R371 PolarHBondContact O-N 3.49Å; E368-R371 IonicContact OE1-CZ 3.3Å; E368-R371 IonicContact OE1-NE 3.58Å; E368-R371 IonicContact OE1-NH2 3.59Å; E368-R371 PolarHBondContact OE1-NH2 3.13Å; E368-R371 IonicContact OE2-CZ 3.6Å; E368-R371 IonicContact OE2-NE 2.8Å; E368-R371 PolarHBondContact OE2-NE 2.67Å; E368-R371 IonicContact OE2-NH2 2.66Å
372R98.4Very high98.8Very high116 Ų11627.1 Ų27.144%0.43813%0.131SC..Hα-helixtrans-82.2-10.9177.7-70.6-176.6-178.6-109-6.4114.1E368 L369 R370 G374E368-R372 WeakPolarHBondContact O-CB 3.42Å; E368-R372 WeakPolarHBondContact O-CG 3.25Å; E368-R372 PolarHBondContact O-N 2.88Å; E368-R372 IonicContact OE1-CZ 2.56Å; E368-R372 VanDerWaalsContact OE1-CZ 3.26Å; E368-R372 IonicContact OE1-NE 2.69Å; E368-R372 PolarHBondContact OE1-NE 3.47Å; E368-R372 IonicContact OE1-NH2 3.6Å; E368-R372 PolarHBondContact OE1-NH2 2.98Å; L369-R372 PolarHBondContact O-N 3.32Å; R370-R372 PolarHBondContact O-N 2.92Å; R372-G374 PolarHBondContact O-N 3.11Å
373G98.4Very high98.8Very high62 Ų6227 Ų2764%0.63913%0.13SC*.THydrogen-bonded Turntrans62.625.8-169.700000112.8L369 R370L369-G373 PolarHBondContact O-N 3.49Å; L369-G373 VanDerWaalsContact O-N 3.11Å; R370-G373 PolarHBondContact O-N 3.04Å
374G98.3Very high98.8Very high9 Ų927.2 Ų27.29%0.09313%0.131CC..  trans-77.1164.2176.300000111.5L369 R372 N395L369-G374 PolarHBondContact O-N 2.94Å; R372-G374 PolarHBondContact O-N 3.11Å; G374-N395 WeakPolarHBondContact O-CB 3.14Å; G374-N395 PolarHBondContact O-ND2 2.96Å
375K98.6Very high98.7Very high113 Ų11328.8 Ų28.849%0.49115%0.148SC..SBendtrans-97-50.7-177.6-172.3172.6178.6173.60112.9D315 E394 N395D315-K375 PolarHBondContact OD2-N 2.88Å; K375-E394 WeakPolarHBondContact CE-OE1 3.5Å; K375-E394 HydrophobicContact CG-CG 4.4Å; K375-E394 IonicContact NZ-OE1 3.57Å; K375-E394 CarbonylContact O-C 3.57Å; K375-E394 VanDerWaalsContact O-CA 3.28Å; K375-E394 WeakPolarHBondContact O-CA 3.5Å; K375-N395 PolarHBondContact O-N 2.7Å
376Y98.9Very high98.7Very high33 Ų3328.7 Ų28.713%0.12915%0.148CC..EExtended strand (participates in β ladder)trans-126.6145.1-176-62.7-70.4000113.2V280 L309 D313 M314 D315 L316 I392 I393 E394V280-Y376 HydrophobicContact CG2-CD1 4.29Å; V280-Y376 HydrophobicContact CG2-CE1 4.11Å; L309-Y376 HydrophobicContact CD1-CD1 4.14Å; L309-Y376 HydrophobicContact CD1-CD2 4.43Å; L309-Y376 HydrophobicContact CD1-CE1 4.07Å; L309-Y376 HydrophobicContact CD1-CE2 4.35Å; L309-Y376 HydrophobicContact CD1-CG 4.32Å; L309-Y376 HydrophobicContact CD2-CE2 3.96Å; D313-Y376 HydrophobicContact CB-CD2 4.39Å; M314-Y376 VanDerWaalsContact CE-CB 3.41Å; M314-Y376 HydrophobicContact CE-CD2 4.39Å; M314-Y376 HydrophobicContact CE-CG 4Å; D315-Y376 PolarHBondContact N-O 3.09Å; D315-Y376 PolarHBondContact OD2-N 2.75Å; L316-Y376 PolarHBondContact N-O 3.03Å; Y376-I392 HydrophobicContact CD1-CG2 4.44Å; Y376-I393 WeakPolarHBondContact CA-O 3.42Å; Y376-E394 HydrophobicContact CD1-CB 3.72Å; Y376-E394 HydrophobicContact CD1-CG 3.91Å; Y376-E394 HydrophobicContact CE1-CB 3.61Å; Y376-E394 HydrophobicContact CE1-CG 3.54Å; Y376-E394 PolarHBondContact OH-OE1 2.79Å
377A98.9Very high98.7Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-135.8151.9168.400000111.9L316 L365 L369 I392 I393L316-A377 HydrophobicContact CB-CB 3.87Å; L316-A377 WeakPolarHBondContact O-CA 3.44Å; L365-A377 HydrophobicContact CB-CB 4.27Å; L365-A377 HydrophobicContact CD1-CB 4.2Å; L365-A377 HydrophobicContact CD2-CB 3.94Å; L365-A377 HydrophobicContact CG-CB 4.38Å; L369-A377 HydrophobicContact CD1-CB 4.23Å; L369-A377 HydrophobicContact CD2-CB 3.92Å; L369-A377 HydrophobicContact CG-CB 4.47Å; A377-I392 WeakPolarHBondContact O-CA 3.29Å; A377-I393 HydrophobicContact CB-CD1 4.35Å; A377-I393 HydrophobicContact CB-CG1 3.93Å; A377-I393 PolarHBondContact N-O 3.31Å; A377-I393 PolarHBondContact O-N 3.4Å
378V98.9Very high98.7Very high0 Ų029.9 Ų29.90%015%0.154CC..EExtended strand (participates in β ladder)trans-123.7125.5171.162.10000110.8I300 V303 M314 L316 V317 E318 A390 L391 I392I300-V378 HydrophobicContact CG1-CG2 4.24Å; V303-V378 HydrophobicContact CG1-CG2 4.31Å; M314-V378 HydrophobicContact CG-CG1 3.91Å; M314-V378 HydrophobicContact SD-CB 3.86Å; M314-V378 HydrophobicContact SD-CG1 3.9Å; L316-V378 PolarHBondContact O-N 3.11Å; V317-V378 CarbonylContact C-O 3.53Å; V317-V378 WeakPolarHBondContact CA-O 3.44Å; V317-V378 HydrophobicContact CB-CG1 4.27Å; V317-V378 HydrophobicContact CG1-CG1 4.03Å; V317-V378 HydrophobicContact CG2-CG1 3.9Å; E318-V378 PolarHBondContact N-O 3.12Å; V378-A390 HydrophobicContact CG2-CB 4.19Å; V378-L391 WeakPolarHBondContact CA-O 3.43Å; V378-I392 HydrophobicContact CB-CG1 4.16Å; V378-I392 HydrophobicContact CG2-CG1 4.01Å
379G98.9Very high98.7Very high1 Ų129.8 Ų29.81%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-105.9140.6172.200000110.7E318 L365 A390 L391E318-G379 CarbonylContact O-C 3.5Å; L365-G379 VanDerWaalsContact CD1-CA 3.42Å; L365-G379 VanDerWaalsContact CD1-N 3.35Å; G379-A390 CarbonylContact O-C 3.51Å; G379-A390 VanDerWaalsContact O-CA 3.25Å; G379-A390 WeakPolarHBondContact O-CA 3.46Å; G379-L391 PolarHBondContact N-O 2.96Å; G379-L391 PolarHBondContact O-N 3.26Å
380S98.9Very high98.7Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-150.3159.3-176.469.60000113.7E318 N320 I389E318-S380 PolarHBondContact O-N 2.94Å; E318-S380 PolarHBondContact O-OG 3Å; N320-S380 PolarHBondContact N-O 3.01Å; S380-I389 WeakPolarHBondContact CA-O 3.34Å; S380-I389 VanDerWaalsContact CB-O 3.28Å; S380-I389 WeakPolarHBondContact CB-O 3.33Å
381A98.9Very high98.7Very high1 Ų126 Ų261%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-145.8144.4172.100000111.5F96 N320 G388 I389F96-A381 HydrophobicContact CD2-CB 4.29Å; F96-A381 HydrophobicContact CE2-CB 3.93Å; N320-A381 HydrophobicContact CB-CB 3.88Å; A381-G388 WeakPolarHBondContact O-CA 3.46Å; A381-I389 HydrophobicContact CB-CG2 4.42Å; A381-I389 PolarHBondContact N-O 3.44Å; A381-I389 VanDerWaalsContact N-O 3.08Å; A381-I389 PolarHBondContact O-N 2.56Å; A381-I389 VanDerWaalsContact O-N 3.11Å
382C98.8Very high98.7Very high0 Ų020.7 Ų20.70%012%0.119CC..EExtended strand (participates in β ladder)trans-72.2158.7159.764.30000109.8C92 M292 G293 P296C92-C382 WeakPolarHBondContact CB-O 3.28Å; M292-C382 HydrophobicContact SD-CB 4.07Å; G293-C382 WeakPolarHBondContact O-CB 3.18Å; P296-C382 HydrophobicContact CG-CB 4.14Å
383I98.9Very high98.7Very high0 Ų015.3 Ų15.30%010%0.099CC..EExtended strand (participates in β ladder)trans-139.6124.7-174.1-54.8179.1000108.8R90 L91 G386 Q387 I389R90-I383 HydrophobicContact CG-CD1 3.86Å; R90-I383 HydrophobicContact CG-CG2 4.4Å; R90-I383 WeakPolarHBondContact O-CG2 3.42Å; L91-I383 HydrophobicContact CB-CG2 3.78Å; I383-G386 PolarHBondContact O-N 3.47Å; I383-G386 VanDerWaalsContact O-N 3.16Å; I383-Q387 HydrophobicContact CB-CB 3.84Å; I383-Q387 WeakPolarHBondContact CB-O 3.41Å; I383-Q387 HydrophobicContact CD1-CB 4.11Å; I383-Q387 HydrophobicContact CG1-CB 4.42Å; I383-Q387 HydrophobicContact CG2-CB 4.2Å; I383-Q387 PolarHBondContact N-O 2.69Å; I383-Q387 PolarHBondContact O-N 2.87Å; I383-Q387 VanDerWaalsContact O-N 3.09Å; I383-I389 HydrophobicContact CD1-CB 4.11Å; I383-I389 HydrophobicContact CD1-CG2 3.95Å
384G98.2Very high98.8Very high3 Ų314.1 Ų14.13%0.0318%0.077CC..THydrogen-bonded Turntrans-50.5145.1174.500000112G386G384-G386 VanDerWaalsContact C-N 3.31Å
385G98.1Very high98.7Very high35 Ų3514.7 Ų14.736%0.3618%0.078SC..THydrogen-bonded Turntrans82.33.1-17100000114.8D154D154-G385 WeakPolarHBondContact OD2-CA 3.41Å
386G98.5Very high98.6Very high3 Ų311.9 Ų11.93%0.0317%0.071CC..THydrogen-bonded Turntrans91.457170.200000114.1G286 C287 I383 G384G286-G386 CarbonylContact C-O 3.55Å; G286-G386 WeakPolarHBondContact CA-O 3.31Å; C287-G386 PolarHBondContact N-O 3.41Å; C287-G386 WeakPolarHBondContact O-CA 3.37Å; C287-G386 VanDerWaalsContact O-O 3.05Å; I383-G386 PolarHBondContact O-N 3.47Å; I383-G386 VanDerWaalsContact O-N 3.16Å; G384-G386 VanDerWaalsContact C-N 3.31Å
387Q98.9Very high98.1Very high56 Ų5616 Ų1626%0.26211%0.111SC..EExtended strand (participates in β ladder)trans-138.8169.8172-63.9170.169.400111.4S285 I383S285-Q387 CarbonylContact O-C 3.55Å; S285-Q387 WeakPolarHBondContact O-CA 3.3Å; S285-Q387 WeakPolarHBondContact O-CB 3.4Å; I383-Q387 HydrophobicContact CB-CB 3.84Å; I383-Q387 WeakPolarHBondContact CB-O 3.41Å; I383-Q387 HydrophobicContact CD1-CB 4.11Å; I383-Q387 HydrophobicContact CG1-CB 4.42Å; I383-Q387 HydrophobicContact CG2-CB 4.2Å; I383-Q387 PolarHBondContact N-O 2.69Å; I383-Q387 PolarHBondContact O-N 2.87Å; I383-Q387 VanDerWaalsContact O-N 3.09Å
388G98.9Very high98Very high0 Ų016.8 Ų16.80%012%0.117CC..EExtended strand (participates in β ladder)trans-144.5156.6165.500000111.6S284 S285 A381S284-G388 CarbonylContact C-O 3.5Å; S284-G388 VanDerWaalsContact CA-O 3.25Å; S284-G388 WeakPolarHBondContact CA-O 3.35Å; S285-G388 PolarHBondContact N-O 3.46Å; S285-G388 PolarHBondContact O-N 3.01Å; A381-G388 WeakPolarHBondContact O-CA 3.46Å
389I98.9Very high98Very high0 Ų017.7 Ų17.70%012%0.123CC..EExtended strand (participates in β ladder)trans-134.6144.4176.8-170.7162.3000109.9F96 Q97 V100 H283 S284 S380 A381 I383F96-I389 HydrophobicContact CB-CD1 3.72Å; F96-I389 HydrophobicContact CB-CG1 4.09Å; F96-I389 HydrophobicContact CB-CG2 3.99Å; F96-I389 HydrophobicContact CD2-CG2 3.72Å; F96-I389 HydrophobicContact CG-CG2 4.18Å; Q97-I389 HydrophobicContact CB-CD1 4.13Å; V100-I389 HydrophobicContact CG2-CD1 4.17Å; H283-I389 CarbonylContact O-C 3.5Å; H283-I389 WeakPolarHBondContact O-CA 3.45Å; S284-I389 WeakPolarHBondContact OG-CD1 3.46Å; S284-I389 WeakPolarHBondContact OG-CG1 3.31Å; S380-I389 WeakPolarHBondContact CA-O 3.34Å; S380-I389 VanDerWaalsContact CB-O 3.28Å; S380-I389 WeakPolarHBondContact CB-O 3.33Å; A381-I389 HydrophobicContact CB-CG2 4.42Å; A381-I389 PolarHBondContact N-O 3.44Å; A381-I389 VanDerWaalsContact N-O 3.08Å; A381-I389 PolarHBondContact O-N 2.56Å; A381-I389 VanDerWaalsContact O-N 3.11Å; I383-I389 HydrophobicContact CD1-CB 4.11Å; I383-I389 HydrophobicContact CD1-CG2 3.95Å
390A98.9Very high97.9Very high0 Ų018.6 Ų18.60%013%0.129CC..EExtended strand (participates in β ladder)trans-140.9145.5174.100000111.4Y282 H283 A299 I300 V303 V378 G379Y282-A390 CarbonylContact C-O 3.58Å; Y282-A390 VanDerWaalsContact CA-O 3.23Å; Y282-A390 WeakPolarHBondContact CA-O 3.47Å; Y282-A390 WeakPolarHBondContact CB-O 3.36Å; H283-A390 PolarHBondContact N-O 2.9Å; H283-A390 PolarHBondContact O-N 3.05Å; A299-A390 HydrophobicContact CB-CB 3.92Å; I300-A390 HydrophobicContact CG1-CB 3.94Å; V303-A390 HydrophobicContact CB-CB 4.44Å; V303-A390 HydrophobicContact CG1-CB 3.73Å; V378-A390 HydrophobicContact CG2-CB 4.19Å; G379-A390 CarbonylContact O-C 3.51Å; G379-A390 VanDerWaalsContact O-CA 3.25Å; G379-A390 WeakPolarHBondContact O-CA 3.46Å
391L98.8Very high97.9Very high3 Ų319.7 Ų19.72%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-134.4124.5-179.5-17874.4000109F96 I99 V279 Y282 T362 V378 G379 I393F96-L391 HydrophobicContact CD1-CB 4.15Å; F96-L391 HydrophobicContact CD1-CD2 4.34Å; I99-L391 HydrophobicContact CD1-CD2 4.3Å; I99-L391 HydrophobicContact CG2-CD2 4.08Å; V279-L391 HydrophobicContact CG1-CD1 3.54Å; V279-L391 HydrophobicContact CG1-CG 4.5Å; Y282-L391 HydrophobicContact CD1-CD1 4.38Å; T362-L391 HydrophobicContact CG2-CD2 4Å; V378-L391 WeakPolarHBondContact CA-O 3.43Å; G379-L391 PolarHBondContact N-O 2.96Å; G379-L391 PolarHBondContact O-N 3.26Å; L391-I393 HydrophobicContact CD2-CG2 4.44Å
392I98.9Very high97.8Very high0 Ų020.9 Ų20.90%015%0.145CC..EExtended strand (participates in β ladder)trans-97.4132.5174-60176.4000109.3V280 A281 V303 L304 A307 L309 Y376 A377 V378V280-I392 HydrophobicContact CB-CB 4.11Å; V280-I392 HydrophobicContact CB-CG2 3.79Å; V280-I392 HydrophobicContact CG1-CG2 4.4Å; V280-I392 HydrophobicContact CG2-CG2 3.92Å; V280-I392 PolarHBondContact N-O 2.92Å; A281-I392 PolarHBondContact O-N 3.25Å; V303-I392 HydrophobicContact CB-CD1 4.36Å; V303-I392 HydrophobicContact CG1-CD1 3.91Å; V303-I392 HydrophobicContact CG1-CG1 3.92Å; V303-I392 HydrophobicContact CG2-CD1 3.83Å; V303-I392 HydrophobicContact CG2-CG1 3.83Å; L304-I392 HydrophobicContact CD2-CD1 3.83Å; L304-I392 HydrophobicContact CG-CD1 4.33Å; A307-I392 HydrophobicContact CB-CD1 3.88Å; L309-I392 HydrophobicContact CD1-CD1 4.4Å; L309-I392 HydrophobicContact CD1-CG2 4.28Å; Y376-I392 HydrophobicContact CD1-CG2 4.44Å; A377-I392 WeakPolarHBondContact O-CA 3.29Å; V378-I392 HydrophobicContact CB-CG1 4.16Å; V378-I392 HydrophobicContact CG2-CG1 4.01Å
393I98.9Very high97.7Very high3 Ų322.3 Ų22.32%0.01515%0.154CC..EExtended strand (participates in β ladder)trans-118.1148.7170.664.8171.7000111I9 A277 R278 L365 V366 L369 Y376 A377 L391I9-I393 HydrophobicContact CD1-CG2 3.93Å; A277-I393 HydrophobicContact CB-CB 4.22Å; A277-I393 HydrophobicContact CB-CD1 4.35Å; R278-I393 CarbonylContact O-C 3.56Å; R278-I393 VanDerWaalsContact O-CA 3.24Å; R278-I393 WeakPolarHBondContact O-CA 3.41Å; L365-I393 HydrophobicContact CB-CD1 3.82Å; V366-I393 HydrophobicContact CB-CD1 4.38Å; V366-I393 HydrophobicContact CG2-CD1 3.66Å; L369-I393 HydrophobicContact CD2-CD1 4.35Å; L369-I393 HydrophobicContact CD2-CG1 4.21Å; Y376-I393 WeakPolarHBondContact CA-O 3.42Å; A377-I393 HydrophobicContact CB-CD1 4.35Å; A377-I393 HydrophobicContact CB-CG1 3.93Å; A377-I393 PolarHBondContact N-O 3.31Å; A377-I393 PolarHBondContact O-N 3.4Å; L391-I393 HydrophobicContact CD2-CG2 4.44Å
394E98.8Very high97.6Very high36 Ų3623.9 Ų23.917%0.16817%0.165CC..EExtended strand (participates in β ladder)trans-115.3132.4171.7-177.2177.2-148.700109.4A277 R278 V280 K375 Y376A277-E394 CarbonylContact C-O 3.45Å; A277-E394 WeakPolarHBondContact CA-O 3.36Å; A277-E394 WeakPolarHBondContact CB-O 3.5Å; R278-E394 HydrophobicContact CB-CB 4.4Å; R278-E394 IonicContact CZ-OE2 3.23Å; R278-E394 PolarHBondContact N-O 3.08Å; R278-E394 IonicContact NE-OE2 3.58Å; R278-E394 PolarHBondContact NE-OE2 3.2Å; R278-E394 IonicContact NH2-OE2 2.98Å; R278-E394 PolarHBondContact NH2-OE2 3.43Å; R278-E394 PolarHBondContact O-N 3.09Å; V280-E394 HydrophobicContact CG2-CB 3.58Å; K375-E394 WeakPolarHBondContact CE-OE1 3.5Å; K375-E394 HydrophobicContact CG-CG 4.4Å; K375-E394 IonicContact NZ-OE1 3.57Å; K375-E394 CarbonylContact O-C 3.57Å; K375-E394 VanDerWaalsContact O-CA 3.28Å; K375-E394 WeakPolarHBondContact O-CA 3.5Å; Y376-E394 HydrophobicContact CD1-CB 3.72Å; Y376-E394 HydrophobicContact CD1-CG 3.91Å; Y376-E394 HydrophobicContact CE1-CB 3.61Å; Y376-E394 HydrophobicContact CE1-CG 3.54Å; Y376-E394 PolarHBondContact OH-OE1 2.79Å
395N98Very high97.6Very high21 Ų2125.5 Ų25.511%0.11218%0.176CC..EExtended strand (participates in β ladder)trans-66.8137.7174.4-1758.1000111.1L369 R370 G374 K375 A397L369-N395 HydrophobicContact CD2-CB 3.93Å; L369-N395 HydrophobicContact CG-CB 4.11Å; R370-N395 WeakPolarHBondContact CG-OD1 3.38Å; R370-N395 PolarHBondContact NH1-OD1 2.95Å; G374-N395 WeakPolarHBondContact O-CB 3.14Å; G374-N395 PolarHBondContact O-ND2 2.96Å; K375-N395 PolarHBondContact O-N 2.7Å; N395-A397 WeakPolarHBondContact OD1-CB 3.39Å; N395-A397 PolarHBondContact OD1-N 3.38Å
396T96.1Very high97.6Very high55 Ų5524.7 Ų24.734%0.33716%0.16SC..  trans-98.6-6.7178.752.20000114.3F8 P275 L276 R278 R370F8-T396 HydrophobicContact CD1-CG2 4.11Å; F8-T396 HydrophobicContact CE1-CG2 4.23Å; P275-T396 HydrophobicContact CB-CG2 4.2Å; P275-T396 PolarHBondContact O-OG1 3.48Å; L276-T396 PolarHBondContact O-OG1 3.37Å; L276-T396 VanDerWaalsContact O-OG1 3.13Å; R278-T396 HydrophobicContact CB-CG2 4.48Å; R370-T396 PolarHBondContact NH1-OG1 3.22Å
397A87.1Confident97.5Very high119 Ų11926.6 Ų26.698%0.98317%0.172SC*.  trans-790179.400000113.3N395N395-A397 WeakPolarHBondContact OD1-CB 3.39Å; N395-A397 PolarHBondContact OD1-N 3.38Å

Retrieved 397 of 397 residues in 832.1 ms (Link to these results)

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