A0A077YWM3_TRITR Loading...

3-oxoacyl-[acyl-carrier-protein] synthase

AlphaFold DB , UniProt , Accession A0A077YWM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 440 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
1M53.2Low63.4Low241 Ų241148.2 Ų148.2100%1.18778%0.784SS**  0102.10-154.2176.8-160.200107.1L3M1-L3 PolarHBondContact O-N 2.78Å
2K50.8Low66.3Low207 Ų207144.1 Ų144.190%0.975%0.75SS**  trans-80.6116.7172.1-80.5-174.2176.8-178.50106.4
3L58.3Low68.8Low151 Ų151133 Ų13379%0.79169%0.692SS**  trans-56.4128.5169.4-74.6163.7000107.4M1 T5M1-L3 PolarHBondContact O-N 2.78Å; L3-T5 PolarHBondContact O-N 3.25Å
4P55.8Low70.9Confident123 Ų123123.5 Ų123.580%0.79964%0.643SS**  trans-65104175.123.8-29.2000107.8S6P4-S6 PolarHBondContact O-N 2.98Å
5T56.1Low72.8Confident123 Ų123115.3 Ų115.376%0.75560%0.6SS**  trans-70.789.2165.546.90000106.4L3 L7L3-T5 PolarHBondContact O-N 3.25Å; T5-L7 VanDerWaalsContact C-N 3.35Å; T5-L7 PolarHBondContact O-N 3.13Å
6S56.8Low74.4Confident98 Ų98108.1 Ų108.169%0.68556%0.562SS**  trans-57.3111.2154.762.50000104.9P4 R8P4-S6 PolarHBondContact O-N 2.98Å; S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 3.1Å
7L57.2Low75.8Confident164 Ų164101.7 Ų101.786%0.85953%0.529SS*.  trans-55.7105.1168.4-73162.5000105.2T5 Q9T5-L7 VanDerWaalsContact C-N 3.35Å; T5-L7 PolarHBondContact O-N 3.13Å; L7-Q9 PolarHBondContact O-N 3.44Å
8R63.2Low77.1Confident202 Ų20296.4 Ų96.476%0.76250%0.502SS*.  trans-56.6125.6173-75.5-173.3179.7-165.90.7105.5S6 A10 R193S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 3.1Å; R8-A10 PolarHBondContact O-N 3Å; R8-R193 PolarHBondContact NH1-O 3.4Å
9Q68.3Low78.3Confident184 Ų18491.3 Ų91.386%0.8648%0.476SS*.  trans-53.9140.4170.2-83179.2-38.700108.5L7 V11L7-Q9 PolarHBondContact O-N 3.44Å; Q9-V11 PolarHBondContact O-N 3.43Å; Q9-V11 VanDerWaalsContact O-N 3.08Å
10A82.6Confident79.3Confident90 Ų9086.9 Ų86.974%0.74445%0.453SS*.  trans-63.3114.1179.200000109.1R8 R12R8-A10 PolarHBondContact O-N 3Å; A10-R12 PolarHBondContact O-N 2.72Å
11V95.1Very high80.2Confident47 Ų4782.7 Ų82.729%0.28543%0.431SS..  trans-69.9120.1174.7174.80000107.8Q9 I191 E257Q9-V11 PolarHBondContact O-N 3.43Å; Q9-V11 VanDerWaalsContact O-N 3.08Å; V11-I191 HydrophobicContact CG1-CG2 4.11Å; V11-E257 HydrophobicContact CG1-CB 4.46Å; V11-E257 HydrophobicContact CG1-CG 3.44Å; V11-E257 VanDerWaalsContact CG1-CG 3.44Å
12R97.9Very high82.4Confident99 Ų9971.3 Ų71.337%0.37438%0.375SS..  trans-85.3143.8179.9-65.9174.466.3-169.92.7109.7A10 L258 E271A10-R12 PolarHBondContact O-N 2.72Å; R12-L258 HydrophobicContact CB-CB 3.78Å; R12-L258 HydrophobicContact CB-CD2 3.87Å; R12-L258 HydrophobicContact CG-CD2 4.44Å; R12-L258 PolarHBondContact O-N 3.31Å; R12-E271 IonicContact CZ-OE1 3.4Å; R12-E271 IonicContact CZ-OE2 2.99Å; R12-E271 IonicContact NE-OE1 2.66Å; R12-E271 PolarHBondContact NE-OE1 3.46Å; R12-E271 IonicContact NE-OE2 3.52Å; R12-E271 VanDerWaalsContact NH2-CD 3.34Å; R12-E271 IonicContact NH2-OE1 2.68Å; R12-E271 PolarHBondContact NH2-OE1 3.07Å; R12-E271 IonicContact NH2-OE2 3.2Å; R12-E271 PolarHBondContact NH2-OE2 2.89Å
13V98.7Very high84.7Confident0 Ų061.6 Ų61.60%033%0.333CS..EExtended strand (participates in β ladder)trans-129.5131.8-173.6-174.20000110F188 I191 Q192 L255 E256 E271 V272V13-F188 HydrophobicContact CB-CD2 3.58Å; V13-F188 HydrophobicContact CB-CE2 3.85Å; V13-F188 HydrophobicContact CG1-CD2 4.03Å; V13-F188 HydrophobicContact CG2-CD2 3.59Å; V13-F188 HydrophobicContact CG2-CE2 3.77Å; V13-I191 HydrophobicContact CG1-CB 4.49Å; V13-I191 HydrophobicContact CG1-CD1 3.75Å; V13-I191 HydrophobicContact CG1-CG2 4.44Å; V13-I191 HydrophobicContact CG2-CB 3.97Å; V13-I191 HydrophobicContact CG2-CG2 3.67Å; V13-Q192 HydrophobicContact CG2-CG 4.13Å; V13-L255 HydrophobicContact CG1-CB 3.95Å; V13-L255 HydrophobicContact CG1-CD1 4.26Å; V13-L255 HydrophobicContact CG1-CD2 4.49Å; V13-L255 HydrophobicContact CG1-CG 4.47Å; V13-E256 CarbonylContact C-O 3.45Å; V13-E256 WeakPolarHBondContact CA-O 3.15Å; V13-E271 WeakPolarHBondContact O-CG 3.47Å; V13-V272 PolarHBondContact O-N 3.33Å
14V98.9Very high86.6Confident0 Ų054.7 Ų54.70%030%0.297CS..EExtended strand (participates in β ladder)trans-124.7155.9-175.3-67.70000112.1T16 L255 E256 L258 A261 I268 A270 E271 M438V14-T16 HydrophobicContact CG2-CG2 3.87Å; V14-L255 CarbonylContact O-C 3.53Å; V14-L255 VanDerWaalsContact O-CA 3.32Å; V14-L255 WeakPolarHBondContact O-CA 3.44Å; V14-E256 HydrophobicContact CG2-CB 4.42Å; V14-E256 WeakPolarHBondContact CG2-O 3.17Å; V14-E256 PolarHBondContact N-O 2.9Å; V14-E256 PolarHBondContact O-N 3.22Å; V14-L258 HydrophobicContact CG1-CB 4.31Å; V14-L258 HydrophobicContact CG1-CD1 3.71Å; V14-L258 HydrophobicContact CG2-CD1 4.39Å; V14-A261 HydrophobicContact CG2-CB 3.8Å; V14-I268 HydrophobicContact CB-CG1 4.41Å; V14-I268 HydrophobicContact CB-CG2 3.77Å; V14-I268 HydrophobicContact CG1-CD1 4.39Å; V14-I268 HydrophobicContact CG1-CG2 3.89Å; V14-I268 HydrophobicContact CG2-CD1 4.28Å; V14-I268 HydrophobicContact CG2-CG1 4.17Å; V14-I268 HydrophobicContact CG2-CG2 4.45Å; V14-A270 CarbonylContact C-O 3.51Å; V14-A270 WeakPolarHBondContact CA-O 3.49Å; V14-E271 HydrophobicContact CG1-CB 4.18Å; V14-E271 HydrophobicContact CG1-CG 4.2Å; V14-M438 HydrophobicContact CG1-CE 4.49Å; V14-M438 HydrophobicContact CG1-SD 4.08Å
15V98.9Very high88.7Confident0 Ų048.9 Ų48.90%026%0.26CS..EExtended strand (participates in β ladder)trans-90.1112.9171.6-177.70000108.1V18 L253 I254 L255 Y269 A270 V272 A374V15-V18 HydrophobicContact CG1-CG1 3.79Å; V15-L253 HydrophobicContact CG1-CB 4.5Å; V15-L253 HydrophobicContact CG1-CD2 4.03Å; V15-L253 HydrophobicContact CG2-CD2 4.18Å; V15-I254 WeakPolarHBondContact CA-O 3.43Å; V15-L255 HydrophobicContact CB-CD2 4.43Å; V15-L255 HydrophobicContact CG2-CD2 3.66Å; V15-Y269 HydrophobicContact CG1-CD2 4.37Å; V15-Y269 PolarHBondContact O-N 2.9Å; V15-A270 PolarHBondContact N-O 3.05Å; V15-V272 HydrophobicContact CG2-CG2 4.22Å; V15-A374 HydrophobicContact CG2-CB 4.49Å
16T98.9Very high90.7Very high0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans-105.6-18-178.855.80000114.3V14 A101 I254 E256 A261 A266 R267 I268V14-T16 HydrophobicContact CG2-CG2 3.87Å; T16-A101 WeakPolarHBondContact O-CA 3.48Å; T16-I254 PolarHBondContact N-O 2.97Å; T16-E256 WeakPolarHBondContact CB-OE2 3.03Å; T16-E256 HydrophobicContact CG2-CB 3.87Å; T16-E256 HydrophobicContact CG2-CG 4.44Å; T16-E256 VanDerWaalsContact CG2-OE2 3.27Å; T16-E256 WeakPolarHBondContact CG2-OE2 3.27Å; T16-E256 PolarHBondContact OG1-OE2 3.11Å; T16-A261 HydrophobicContact CG2-CB 3.84Å; T16-A266 HydrophobicContact CG2-CB 3.91Å; T16-R267 VanDerWaalsContact CA-O 3.23Å; T16-R267 WeakPolarHBondContact CA-O 3.26Å; T16-R267 WeakPolarHBondContact CB-O 3.43Å; T16-R267 WeakPolarHBondContact CG2-O 3.27Å; T16-I268 HydrophobicContact CG2-CG1 4.43Å
17G98.8Very high92.7Very high0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-149149.2174.600000112.4D100 L253 I254G17-D100 WeakPolarHBondContact CA-OD2 3.49Å; G17-L253 CarbonylContact O-C 3.59Å; G17-L253 WeakPolarHBondContact O-CA 3.45Å; G17-I254 PolarHBondContact O-N 3.5Å
18V98.9Very high94.7Very high6 Ų632.3 Ų32.34%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-133.3141.8178.1-65.10000110.9V15 A28 D100 Y269 I371V15-V18 HydrophobicContact CG1-CG1 3.79Å; V18-A28 HydrophobicContact CB-CB 4.34Å; V18-A28 HydrophobicContact CG2-CB 3.88Å; V18-D100 PolarHBondContact N-OD2 3.23Å; V18-Y269 HydrophobicContact CG1-CD2 4.33Å; V18-Y269 HydrophobicContact CG2-CE2 4.17Å; V18-I371 HydrophobicContact CB-CD1 4.49Å; V18-I371 HydrophobicContact CB-CG1 4.2Å; V18-I371 HydrophobicContact CB-CG2 3.9Å; V18-I371 HydrophobicContact CG1-CG1 4.14Å; V18-I371 HydrophobicContact CG1-CG2 4.08Å; V18-I371 HydrophobicContact CG2-CG2 4.33Å
19G98.9Very high96.3Very high0 Ų025 Ų250%015%0.15CC..EExtended strand (participates in β ladder)trans-147.5141174.700000111.7A93 E96 V252 I371G19-A93 WeakPolarHBondContact CA-O 3.48Å; G19-E96 WeakPolarHBondContact CA-OE2 3.41Å; G19-V252 PolarHBondContact N-O 2.85Å; G19-V252 PolarHBondContact O-N 3.43Å; G19-I371 VanDerWaalsContact O-CD1 3.22Å; G19-I371 WeakPolarHBondContact O-CD1 3.26Å
20A98.9Very high97.8Very high2 Ų219.2 Ų19.22%0.01712%0.121CC..EExtended strand (participates in β ladder)trans-145.9138.6-171.800000113.1T22 G27 A28 E96 A250 I371A20-T22 HydrophobicContact CB-CG2 3.85Å; A20-G27 CarbonylContact O-C 3.54Å; A20-G27 PolarHBondContact O-N 3.29Å; A20-A28 HydrophobicContact CB-CB 4.07Å; A20-E96 PolarHBondContact N-OE2 2.68Å; A20-A250 WeakPolarHBondContact CA-O 3.32Å; A20-I371 HydrophobicContact CB-CD1 4.26Å
21V98.9Very high98.5Very high0 Ų015.5 Ų15.50%09%0.089CC..EExtended strand (participates in β ladder)trans-118.9107.2166.7173.50000106.2V26 V61 F70 F89 V92 A93 G249 A250V21-V26 HydrophobicContact CG1-CG2 4.27Å; V21-V26 HydrophobicContact CG2-CG1 4.33Å; V21-V26 HydrophobicContact CG2-CG2 4.45Å; V21-V61 HydrophobicContact CG1-CB 4.31Å; V21-V61 HydrophobicContact CG1-CG1 3.52Å; V21-V61 HydrophobicContact CG1-CG2 3.88Å; V21-F70 HydrophobicContact CG1-CD2 4.41Å; V21-F89 HydrophobicContact CB-CB 4.22Å; V21-F89 HydrophobicContact CG1-CB 4.06Å; V21-F89 HydrophobicContact CG1-CD1 3.91Å; V21-F89 HydrophobicContact CG1-CG 3.92Å; V21-V92 HydrophobicContact CG2-CB 3.93Å; V21-V92 HydrophobicContact CG2-CG1 3.79Å; V21-A93 HydrophobicContact CG2-CB 4.22Å; V21-G249 CarbonylContact O-C 3.58Å; V21-G249 WeakPolarHBondContact O-CA 3.29Å; V21-A250 HydrophobicContact CB-CB 4.35Å; V21-A250 PolarHBondContact N-O 2.88Å; V21-A250 PolarHBondContact O-N 3.49Å
22T98.8Very high98.7Very high1 Ų114.4 Ų14.41%0.0068%0.08CC..EExtended strand (participates in β ladder)trans-130.6168-172.981.10000112.2A20 L24 G25 S31 V368A20-T22 HydrophobicContact CB-CG2 3.85Å; T22-L24 PolarHBondContact O-N 2.85Å; T22-L24 VanDerWaalsContact O-N 3.15Å; T22-L24 PolarHBondContact OG1-N 3.3Å; T22-L24 VanDerWaalsContact OG1-N 3.08Å; T22-G25 PolarHBondContact N-O 3.15Å; T22-G25 CarbonylContact O-C 3.54Å; T22-G25 PolarHBondContact O-N 3.21Å; T22-G25 PolarHBondContact OG1-O 2.94Å; T22-S31 WeakPolarHBondContact CG2-OG 3.23Å; T22-S31 PolarHBondContact OG1-OG 3.31Å; T22-V368 HydrophobicContact CG2-CG1 3.83Å; T22-V368 HydrophobicContact CG2-CG2 4.32Å
23P98.7Very high98.7Very high4 Ų415 Ų153%0.0269%0.087CC..THydrogen-bonded Turntrans-60.1-16.3170.3-2839.9000114.5G41 A59 E248 I358P23-G41 WeakPolarHBondContact O-CA 3.37Å; P23-A59 HydrophobicContact CB-CB 3.76Å; P23-A59 HydrophobicContact CG-CB 3.56Å; P23-A59 VanDerWaalsContact CG-O 3.29Å; P23-A59 WeakPolarHBondContact CG-O 3.3Å; P23-E248 WeakPolarHBondContact CD-O 3.49Å; P23-I358 HydrophobicContact CG-CB 4.42Å
24L98.7Very high98.7Very high5 Ų517.8 Ų17.83%0.02610%0.098CC..THydrogen-bonded Turntrans-83.5-15.3172-65.3172.9000112.5T22 S31 R34 L35 H39 A357 I358T22-L24 PolarHBondContact O-N 2.85Å; T22-L24 VanDerWaalsContact O-N 3.15Å; T22-L24 PolarHBondContact OG1-N 3.3Å; T22-L24 VanDerWaalsContact OG1-N 3.08Å; L24-S31 WeakPolarHBondContact CD1-O 3.42Å; L24-R34 HydrophobicContact CB-CB 4.17Å; L24-R34 HydrophobicContact CD1-CB 4.31Å; L24-R34 HydrophobicContact CD2-CB 4.16Å; L24-R34 HydrophobicContact CG-CB 4.44Å; L24-R34 WeakPolarHBondContact O-CD 3.09Å; L24-R34 PolarHBondContact O-NE 3.24Å; L24-L35 HydrophobicContact CD1-CB 3.82Å; L24-L35 HydrophobicContact CD1-CD1 4.36Å; L24-H39 HydrophobicContact CD2-CB 4.04Å; L24-A357 HydrophobicContact CD1-CB 4.3Å; L24-I358 HydrophobicContact CD1-CG2 3.71Å; L24-I358 HydrophobicContact CG-CG2 3.76Å
25G98.6Very high98.7Very high2 Ų218.1 Ų18.12%0.02110%0.099CC..EExtended strand (participates in β ladder)trans141.3170178.100000112.6T22 S31 H68T22-G25 PolarHBondContact N-O 3.15Å; T22-G25 CarbonylContact O-C 3.54Å; T22-G25 PolarHBondContact O-N 3.21Å; T22-G25 PolarHBondContact OG1-O 2.94Å; G25-S31 PolarHBondContact O-OG 3.15Å; G25-H68 CarbonylContact C-O 3.54Å; G25-H68 WeakPolarHBondContact CA-O 3.25Å
26V98.7Very high98.7Very high24 Ų2420.1 Ų20.115%0.14511%0.11CC..EExtended strand (participates in β ladder)trans-80.4123169.2178.40000108.9V21 H68 F70 V92V21-V26 HydrophobicContact CG1-CG2 4.27Å; V21-V26 HydrophobicContact CG2-CG1 4.33Å; V21-V26 HydrophobicContact CG2-CG2 4.45Å; V26-H68 PolarHBondContact N-O 3.46Å; V26-H68 PolarHBondContact O-ND1 3.33Å; V26-F70 HydrophobicContact CG2-CB 3.9Å; V26-F70 HydrophobicContact CG2-CD2 4.46Å; V26-V92 HydrophobicContact CG1-CG1 3.64Å
27G98.6Very high98.7Very high8 Ų823 Ų238%0.08213%0.133CC..SBendtrans122.2127.9-176.700000112A20 R30 S31 E96A20-G27 CarbonylContact O-C 3.54Å; A20-G27 PolarHBondContact O-N 3.29Å; G27-R30 PolarHBondContact O-N 2.95Å; G27-S31 WeakPolarHBondContact O-CB 3.38Å; G27-S31 PolarHBondContact O-N 2.76Å; G27-S31 PolarHBondContact O-OG 3.02Å; G27-E96 WeakPolarHBondContact CA-OE1 3.14Å; G27-E96 WeakPolarHBondContact CA-OE2 3.3Å
28A98.8Very high98.6Very high4 Ų423.7 Ų23.73%0.03314%0.138CC..Hα-helixtrans-61.5-45.8172.200000111.1V18 A20 R30 S31 W32 E96 I371V18-A28 HydrophobicContact CB-CB 4.34Å; V18-A28 HydrophobicContact CG2-CB 3.88Å; A20-A28 HydrophobicContact CB-CB 4.07Å; A28-R30 PolarHBondContact O-N 3.42Å; A28-S31 PolarHBondContact O-N 2.92Å; A28-W32 WeakPolarHBondContact O-CB 3.19Å; A28-W32 PolarHBondContact O-N 3Å; A28-E96 VanDerWaalsContact N-CD 3.29Å; A28-E96 PolarHBondContact N-OE1 3.4Å; A28-E96 PolarHBondContact N-OE2 3.01Å; A28-E96 VanDerWaalsContact N-OE2 3.08Å; A28-I371 HydrophobicContact CB-CG2 4.39Å
29G98.4Very high98.6Very high49 Ų4927.1 Ų27.151%0.50515%0.153SC..Hα-helixtrans-60.8-42.6176.100000112.7W32 E33G29-W32 PolarHBondContact O-N 3.47Å; G29-E33 WeakPolarHBondContact O-CB 3.32Å; G29-E33 PolarHBondContact O-N 2.87Å
30R98.4Very high98.6Very high63 Ų6327.9 Ų27.924%0.23816%0.159CC..Hα-helixtrans-64.8-45176.2178.958.9170.3169.2-6.6112.5G27 A28 W32 E33 R34 H68G27-R30 PolarHBondContact O-N 2.95Å; A28-R30 PolarHBondContact O-N 3.42Å; R30-W32 VanDerWaalsContact C-N 3.3Å; R30-W32 PolarHBondContact O-N 3.42Å; R30-E33 IonicContact CZ-OE2 3.23Å; R30-E33 IonicContact NH1-OE1 2.9Å; R30-E33 IonicContact NH1-OE2 2.66Å; R30-E33 PolarHBondContact NH1-OE2 2.97Å; R30-E33 PolarHBondContact O-N 3.41Å; R30-R34 PolarHBondContact O-N 3.12Å; R30-R34 VanDerWaalsContact O-N 3.13Å; R30-H68 HydrophobicContact CG-CB 3.88Å
31S98.7Very high98.5Very high12 Ų1228.5 Ų28.58%0.08417%0.166CC..Hα-helixtrans-61.2-43.2178.1-62.20000110.5T22 L24 G25 G27 A28 L35T22-S31 WeakPolarHBondContact CG2-OG 3.23Å; T22-S31 PolarHBondContact OG1-OG 3.31Å; L24-S31 WeakPolarHBondContact CD1-O 3.42Å; G25-S31 PolarHBondContact O-OG 3.15Å; G27-S31 WeakPolarHBondContact O-CB 3.38Å; G27-S31 PolarHBondContact O-N 2.76Å; G27-S31 PolarHBondContact O-OG 3.02Å; A28-S31 PolarHBondContact O-N 2.92Å; S31-L35 WeakPolarHBondContact O-CB 3.36Å; S31-L35 PolarHBondContact O-N 3.21Å
32W98.7Very high98.5Very high24 Ų2428.9 Ų28.99%0.09117%0.168CC..Hα-helixtrans-62.4-51.3176.6177.3-109.9000112.9A28 G29 R30 R34 L35 L36 V372 L375 H379 V381 P383A28-W32 WeakPolarHBondContact O-CB 3.19Å; A28-W32 PolarHBondContact O-N 3Å; G29-W32 PolarHBondContact O-N 3.47Å; R30-W32 VanDerWaalsContact C-N 3.3Å; R30-W32 PolarHBondContact O-N 3.42Å; W32-R34 PolarHBondContact O-N 3.45Å; W32-L35 WeakPolarHBondContact O-CB 3.39Å; W32-L35 PolarHBondContact O-N 2.93Å; W32-L36 HydrophobicContact CD2-CD1 4.32Å; W32-L36 HydrophobicContact CD2-CG 4.25Å; W32-L36 HydrophobicContact CH2-CD2 4.03Å; W32-L36 HydrophobicContact CZ2-CD1 3.85Å; W32-L36 HydrophobicContact CZ2-CD2 3.95Å; W32-L36 HydrophobicContact CZ2-CG 4.19Å; W32-L36 HydrophobicContact CZ3-CD2 4.4Å; W32-L36 WeakPolarHBondContact O-CG 3.31Å; W32-L36 PolarHBondContact O-N 3.18Å; W32-V372 HydrophobicContact CE3-CG1 4.4Å; W32-V372 HydrophobicContact CZ3-CG1 3.94Å; W32-L375 HydrophobicContact CB-CD1 3.84Å; W32-L375 HydrophobicContact CD2-CB 3.95Å; W32-L375 HydrophobicContact CD2-CD1 3.88Å; W32-L375 HydrophobicContact CE3-CB 3.72Å; W32-L375 HydrophobicContact CE3-CD1 3.9Å; W32-L375 HydrophobicContact CE3-CG 4.49Å; W32-L375 HydrophobicContact CG-CD1 3.87Å; W32-L375 HydrophobicContact CH2-CB 4Å; W32-L375 HydrophobicContact CZ2-CB 4.19Å; W32-L375 HydrophobicContact CZ3-CB 3.74Å; W32-H379 AromaticContact CE2-CD2 3.8Å; W32-H379 HydrophobicContact CZ2-CB 4.13Å; W32-H379 AromaticContact CZ2-CD2 3.89Å; W32-H379 AromaticContact NE1-CD2 3.51Å; W32-H379 AromaticContact NE1-NE2 3.96Å; W32-V381 HydrophobicContact CH2-CG2 4.03Å; W32-V381 HydrophobicContact CZ2-CG2 3.51Å; W32-P383 HydrophobicContact CH2-CG 4.44Å; W32-P383 HydrophobicContact CZ3-CG 3.92Å
33E98.5Very high98.5Very high110 Ų11030.3 Ų30.351%0.51418%0.182SC..Hα-helixtrans-54.1-52.3178.5-177-155.1173.500111.6G29 R30 L35 L36 A37G29-E33 WeakPolarHBondContact O-CB 3.32Å; G29-E33 PolarHBondContact O-N 2.87Å; R30-E33 IonicContact CZ-OE2 3.23Å; R30-E33 IonicContact NH1-OE1 2.9Å; R30-E33 IonicContact NH1-OE2 2.66Å; R30-E33 PolarHBondContact NH1-OE2 2.97Å; R30-E33 PolarHBondContact O-N 3.41Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 2.88Å; E33-L36 PolarHBondContact O-N 3.34Å; E33-A37 WeakPolarHBondContact O-CB 3.39Å; E33-A37 PolarHBondContact O-N 3.27Å
34R98.6Very high98.4Very high60 Ų6036.9 Ų36.923%0.22621%0.211CC..Hα-helixtrans-66.9-33.9-179.5-74-177.270.7105.3-5.4112.6L24 R30 W32 A37 C38 H39L24-R34 HydrophobicContact CB-CB 4.17Å; L24-R34 HydrophobicContact CD1-CB 4.31Å; L24-R34 HydrophobicContact CD2-CB 4.16Å; L24-R34 HydrophobicContact CG-CB 4.44Å; L24-R34 WeakPolarHBondContact O-CD 3.09Å; L24-R34 PolarHBondContact O-NE 3.24Å; R30-R34 PolarHBondContact O-N 3.12Å; R30-R34 VanDerWaalsContact O-N 3.13Å; W32-R34 PolarHBondContact O-N 3.45Å; R34-A37 CarbonylContact O-C 3.17Å; R34-A37 PolarHBondContact O-N 2.93Å; R34-C38 PolarHBondContact O-N 3.22Å; R34-H39 HydrophobicContact CB-CB 4.02Å; R34-H39 VanDerWaalsContact CZ-ND1 3.27Å; R34-H39 PolarHBondContact NE-ND1 2.97Å; R34-H39 PolarHBondContact NH2-ND1 3.12Å; R34-H39 WeakPolarHBondContact O-CB 3.2Å; R34-H39 PolarHBondContact O-N 2.87Å
35L98.5Very high98.4Very high6 Ų637 Ų373%0.03121%0.212CC..Hα-helixtrans-65.5-44.8176.3-179.464.8000110.8L24 S31 W32 E33 A37 C38 C354 A357 V372 P383 P384L24-L35 HydrophobicContact CD1-CB 3.82Å; L24-L35 HydrophobicContact CD1-CD1 4.36Å; S31-L35 WeakPolarHBondContact O-CB 3.36Å; S31-L35 PolarHBondContact O-N 3.21Å; W32-L35 WeakPolarHBondContact O-CB 3.39Å; W32-L35 PolarHBondContact O-N 2.93Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 2.88Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 3.49Å; L35-C38 PolarHBondContact O-N 3.04Å; L35-C354 HydrophobicContact CD1-CB 4.28Å; L35-C354 HydrophobicContact CD2-CB 4.43Å; L35-A357 HydrophobicContact CD1-CB 3.61Å; L35-V372 HydrophobicContact CD2-CB 4.45Å; L35-V372 HydrophobicContact CD2-CG1 3.75Å; L35-V372 HydrophobicContact CD2-CG2 3.74Å; L35-P383 HydrophobicContact CD1-CB 4.3Å; L35-P383 HydrophobicContact CD2-CB 3.88Å; L35-P383 HydrophobicContact CD2-CG 3.56Å; L35-P383 HydrophobicContact CG-CB 3.79Å; L35-P383 HydrophobicContact CG-CG 3.96Å; L35-P384 WeakPolarHBondContact O-CD 3.27Å; L35-P384 WeakPolarHBondContact O-CG 3.23Å
36L98.5Very high98.2Very high43 Ų4342 Ų4223%0.22524%0.242CC..Hα-helixtrans-64.2-35.3175.2-65.9-173.7000112.5W32 E33 C38 V381 P383 A405W32-L36 HydrophobicContact CD2-CD1 4.32Å; W32-L36 HydrophobicContact CD2-CG 4.25Å; W32-L36 HydrophobicContact CH2-CD2 4.03Å; W32-L36 HydrophobicContact CZ2-CD1 3.85Å; W32-L36 HydrophobicContact CZ2-CD2 3.95Å; W32-L36 HydrophobicContact CZ2-CG 4.19Å; W32-L36 HydrophobicContact CZ3-CD2 4.4Å; W32-L36 WeakPolarHBondContact O-CG 3.31Å; W32-L36 PolarHBondContact O-N 3.18Å; E33-L36 PolarHBondContact O-N 3.34Å; L36-C38 PolarHBondContact O-N 2.92Å; L36-V381 HydrophobicContact CD1-CG2 4.09Å; L36-V381 HydrophobicContact CD2-CG2 4.1Å; L36-P383 HydrophobicContact CD2-CG 4.25Å; L36-A405 HydrophobicContact CD2-CB 3.85Å
37A98.3Very high97.9Very high60 Ų6042.6 Ų42.650%0.49625%0.253SS..THydrogen-bonded Turntrans-75.88173.400000113.9E33 R34 L35 H39E33-A37 WeakPolarHBondContact O-CB 3.39Å; E33-A37 PolarHBondContact O-N 3.27Å; R34-A37 CarbonylContact O-C 3.17Å; R34-A37 PolarHBondContact O-N 2.93Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 3.49Å; A37-H39 VanDerWaalsContact C-N 3.26Å; A37-H39 PolarHBondContact O-CD2 3.2Å; A37-H39 PolarHBondContact O-N 2.98Å
38C98Very high97.7Very high14 Ų1450 Ų5010%0.09529%0.285CS..THydrogen-bonded Turntrans57.730.3-179.7-159.50000114.2R34 L35 L36 P384 R386 S402 E403R34-C38 PolarHBondContact O-N 3.22Å; L35-C38 PolarHBondContact O-N 3.04Å; L36-C38 PolarHBondContact O-N 2.92Å; C38-P384 HydrophobicContact CB-CG 3.82Å; C38-R386 PolarHBondContact O-NH1 3.04Å; C38-S402 PolarHBondContact SG-O 3.15Å; C38-E403 WeakPolarHBondContact CB-O 3.33Å
39H98.3Very high97.4Very high78 Ų7854.8 Ų54.836%0.36131%0.307SS..  trans-70.7156174.2-72.2-170.3000111.7L24 R34 A37 A357L24-H39 HydrophobicContact CD2-CB 4.04Å; R34-H39 HydrophobicContact CB-CB 4.02Å; R34-H39 VanDerWaalsContact CZ-ND1 3.27Å; R34-H39 PolarHBondContact NE-ND1 2.97Å; R34-H39 PolarHBondContact NH2-ND1 3.12Å; R34-H39 WeakPolarHBondContact O-CB 3.2Å; R34-H39 PolarHBondContact O-N 2.87Å; A37-H39 VanDerWaalsContact C-N 3.26Å; A37-H39 PolarHBondContact O-CD2 3.2Å; A37-H39 PolarHBondContact O-N 2.98Å; H39-A357 VanDerWaalsContact O-CB 3.28Å; H39-A357 WeakPolarHBondContact O-CB 3.25Å
40S98.4Very high97.4Very high16 Ų1653.1 Ų53.111%0.11229%0.286CS..  trans-114.1136.8170.5-170.50000110.7I42S40-I42 PolarHBondContact OG-N 3.02Å
41G98.3Very high97.2Very high16 Ų1656.6 Ų56.617%0.16531%0.305CS..  trans-967.8167.100000113P23 A357P23-G41 WeakPolarHBondContact O-CA 3.37Å; G41-A357 PolarHBondContact N-O 2.8Å
42I98.6Very high97Very high7 Ų765.3 Ų65.34%0.03634%0.341CS..  trans-84125.3-179.7-55.6172.3000109.6S40 V57 A59 P230 V245 G356S40-I42 PolarHBondContact OG-N 3.02Å; I42-V57 HydrophobicContact CG2-CB 4.33Å; I42-A59 HydrophobicContact CG1-CB 4.04Å; I42-P230 WeakPolarHBondContact CB-O 3.43Å; I42-P230 HydrophobicContact CG2-CB 4.03Å; I42-P230 WeakPolarHBondContact CG2-O 2.95Å; I42-V245 HydrophobicContact CD1-CB 4.43Å; I42-V245 HydrophobicContact CD1-CG1 4.3Å; I42-V245 HydrophobicContact CD1-CG2 4.46Å; I42-V245 HydrophobicContact CG1-CG1 4.33Å; I42-V245 HydrophobicContact CG2-CG1 3.76Å; I42-G356 WeakPolarHBondContact CD1-O 3.45Å
43G98.1Very high96.9Very high31 Ų3165.9 Ų65.932%0.3235%0.345SS..EExtended strand (participates in β ladder)trans-131.2-179.6179.900000112.7V57 A58G43-V57 VanDerWaalsContact O-CA 3.3Å; G43-V57 WeakPolarHBondContact O-CA 3.5Å; G43-A58 PolarHBondContact N-O 3.11Å; G43-A58 PolarHBondContact O-N 2.9Å; G43-A58 VanDerWaalsContact O-O 3.09Å
44K97.7Very high96.9Very high142 Ų14264.3 Ų64.362%0.61735%0.345SS*.EExtended strand (participates in β ladder)trans-77135.4175.8-173179.5176.5-177.20110.2K56 P230K44-K56 CarbonylContact C-O 3.5Å; K44-K56 WeakPolarHBondContact CA-O 3.41Å; K44-P230 HydrophobicContact CB-CG 4.38Å
45L97.1Very high96.8Very high9 Ų961.5 Ų61.55%0.04733%0.334CS..  trans-67.8129.3166.1-76.4170.3000109.5F50 K56 A58 I208 V213L45-F50 HydrophobicContact CB-CB 4.05Å; L45-F50 HydrophobicContact CB-CD1 4.48Å; L45-F50 HydrophobicContact CB-CD2 4.08Å; L45-F50 HydrophobicContact CB-CG 3.95Å; L45-F50 HydrophobicContact CD1-CD1 4Å; L45-F50 HydrophobicContact CD1-CE1 4.39Å; L45-F50 HydrophobicContact CD1-CG 4.29Å; L45-F50 HydrophobicContact CD2-CD1 4.39Å; L45-F50 HydrophobicContact CD2-CD2 4.32Å; L45-F50 HydrophobicContact CD2-CE1 4.22Å; L45-F50 HydrophobicContact CD2-CE2 4.14Å; L45-F50 HydrophobicContact CD2-CG 4.43Å; L45-F50 HydrophobicContact CD2-CZ 4.09Å; L45-F50 HydrophobicContact CG-CG 4.47Å; L45-K56 PolarHBondContact N-O 2.98Å; L45-A58 HydrophobicContact CD1-CB 4.18Å; L45-A58 HydrophobicContact CD2-CB 3.46Å; L45-A58 VanDerWaalsContact CD2-CB 3.46Å; L45-A58 HydrophobicContact CG-CB 3.7Å; L45-I208 HydrophobicContact CD2-CG2 3.65Å; L45-V213 HydrophobicContact CD1-CG1 4.35Å; L45-V213 HydrophobicContact CD1-CG2 4.18Å
46T94.3Very high96.8Very high106 Ų10663.5 Ų63.565%0.6534%0.343SS*.  trans-123.214517958.50000109.2F50T46-F50 VanDerWaalsContact O-CD2 3.29Å; T46-F50 WeakPolarHBondContact O-CD2 3.32Å
47G93.2Very high96.8Very high37 Ų3761.7 Ų61.738%0.38133%0.334SS..SBendtrans124.3146.5-173.400000112.4E49 F50G47-E49 VanDerWaalsContact C-OE2 3.3Å; G47-E49 WeakPolarHBondContact CA-OE2 3.33Å; G47-E49 PolarHBondContact O-N 3.07Å; G47-F50 PolarHBondContact O-N 3.28Å; G47-F50 VanDerWaalsContact O-N 3.09Å
48E93.6Very high96.8Very high164 Ų16458.9 Ų58.977%0.76631%0.31SS*.Hα-helixtrans-58.6-34.2-178.1-66.3-176.8176.900111.8F50 E51E48-F50 PolarHBondContact O-N 3.15Å; E48-F50 VanDerWaalsContact O-N 3.14Å; E48-E51 PolarHBondContact O-N 3.45Å
49E94.1Very high96.8Very high104 Ų10458.2 Ų58.249%0.48631%0.306SS..Hα-helixtrans-64.7-18.2179.670.7-89.3-141.100113.3G47 M53G47-E49 VanDerWaalsContact C-OE2 3.3Å; G47-E49 WeakPolarHBondContact CA-OE2 3.33Å; G47-E49 PolarHBondContact O-N 3.07Å; E49-M53 WeakPolarHBondContact O-CE 3.26Å
50F96.5Very high96.8Very high14 Ų1457.8 Ų57.86%0.06131%0.306CS..Hα-helixtrans-103.3-10.5178.9-53-64.4000113.4L45 T46 G47 E48 K52 M53 K56 I208 V213L45-F50 HydrophobicContact CB-CB 4.05Å; L45-F50 HydrophobicContact CB-CD1 4.48Å; L45-F50 HydrophobicContact CB-CD2 4.08Å; L45-F50 HydrophobicContact CB-CG 3.95Å; L45-F50 HydrophobicContact CD1-CD1 4Å; L45-F50 HydrophobicContact CD1-CE1 4.39Å; L45-F50 HydrophobicContact CD1-CG 4.29Å; L45-F50 HydrophobicContact CD2-CD1 4.39Å; L45-F50 HydrophobicContact CD2-CD2 4.32Å; L45-F50 HydrophobicContact CD2-CE1 4.22Å; L45-F50 HydrophobicContact CD2-CE2 4.14Å; L45-F50 HydrophobicContact CD2-CG 4.43Å; L45-F50 HydrophobicContact CD2-CZ 4.09Å; L45-F50 HydrophobicContact CG-CG 4.47Å; T46-F50 VanDerWaalsContact O-CD2 3.29Å; T46-F50 WeakPolarHBondContact O-CD2 3.32Å; G47-F50 PolarHBondContact O-N 3.28Å; G47-F50 VanDerWaalsContact O-N 3.09Å; E48-F50 PolarHBondContact O-N 3.15Å; E48-F50 VanDerWaalsContact O-N 3.14Å; F50-K52 VanDerWaalsContact C-N 3.27Å; F50-K52 PolarHBondContact O-N 3.04Å; F50-M53 WeakPolarHBondContact O-CB 3.45Å; F50-M53 PolarHBondContact O-N 2.68Å; F50-K56 PolarHBondContact O-NZ 3.36Å; F50-I208 HydrophobicContact CZ-CG2 4.47Å; F50-V213 HydrophobicContact CD1-CB 4.3Å; F50-V213 HydrophobicContact CD1-CG1 4.36Å; F50-V213 HydrophobicContact CD1-CG2 4.13Å; F50-V213 HydrophobicContact CE1-CB 4.21Å; F50-V213 HydrophobicContact CE1-CG2 3.71Å
51E94.7Very high96.8Very high135 Ų13557.1 Ų57.163%0.63130%0.301SS*.Hα-helixtrans-60.6-32.6-174.1-74.2-174.6174.700113.8E48 K56E48-E51 PolarHBondContact O-N 3.45Å; E51-K56 PolarHBondContact O-NZ 3.46Å
52K94.8Very high96.8Very high196 Ų19658.5 Ų58.585%0.85231%0.307SS*.THydrogen-bonded Turntrans-95.2-0.8178.6-63-179.3-177.1174.10113.8F50F50-K52 VanDerWaalsContact C-N 3.27Å; F50-K52 PolarHBondContact O-N 3.04Å
53M96.8Very high96.8Very high35 Ų3561.8 Ų61.817%0.17232%0.319CS..  trans-78.2139.9-177.5-60.2-60.1169.500111.9E49 F50 K56 G210 V213 A214E49-M53 WeakPolarHBondContact O-CE 3.26Å; F50-M53 WeakPolarHBondContact O-CB 3.45Å; F50-M53 PolarHBondContact O-N 2.68Å; M53-K56 WeakPolarHBondContact O-CD 3.3Å; M53-K56 WeakPolarHBondContact O-CE 3.44Å; M53-K56 PolarHBondContact O-NZ 2.96Å; M53-G210 WeakPolarHBondContact CE-O 3.31Å; M53-V213 HydrophobicContact CB-CG1 4.07Å; M53-V213 HydrophobicContact CG-CG1 3.94Å; M53-V213 HydrophobicContact SD-CG1 4.45Å; M53-A214 HydrophobicContact CE-CB 3.75Å; M53-A214 HydrophobicContact SD-CB 3.83Å
54P97.6Very high96.7Very high78 Ų7861.7 Ų61.751%0.50632%0.317SS..SBendtrans-61.3-41.4172.4-26.234.8000113.7C217 T224 N227P54-C217 HydrophobicContact CG-CB 4.36Å; P54-T224 HydrophobicContact CB-CG2 3.96Å; P54-N227 PolarHBondContact O-ND2 3.34Å
55A98Very high96.6Very high1 Ų162 Ų621%0.00832%0.319CS..  trans-85.2133.8174.900000110.3L222 C223 T224A55-L222 HydrophobicContact CB-CB 3.71Å; A55-L222 HydrophobicContact CB-CD1 3.79Å; A55-L222 HydrophobicContact CB-CG 4.41Å; A55-C223 WeakPolarHBondContact CB-O 3.3Å; A55-T224 HydrophobicContact CB-CG2 4.31Å
56K98.1Very high96.6Very high47 Ų4768.2 Ų68.220%0.20435%0.348CS..  trans-121.210.3-175.5-58.3-58.9-163.3-162.60113.9K44 L45 F50 E51 M53 N227K44-K56 CarbonylContact C-O 3.5Å; K44-K56 WeakPolarHBondContact CA-O 3.41Å; L45-K56 PolarHBondContact N-O 2.98Å; F50-K56 PolarHBondContact O-NZ 3.36Å; E51-K56 PolarHBondContact O-NZ 3.46Å; M53-K56 WeakPolarHBondContact O-CD 3.3Å; M53-K56 WeakPolarHBondContact O-CE 3.44Å; M53-K56 PolarHBondContact O-NZ 2.96Å; K56-N227 HydrophobicContact CB-CB 3.9Å; K56-N227 WeakPolarHBondContact CB-OD1 3.4Å; K56-N227 HydrophobicContact CG-CB 4.04Å; K56-N227 PolarHBondContact N-OD1 2.76Å
57V98.5Very high96.7Very high6 Ų670.9 Ų70.94%0.03635%0.353CS..EExtended strand (participates in β ladder)trans-132144-170.9-57.40000111I42 G43 P230 A233 V245I42-V57 HydrophobicContact CG2-CB 4.33Å; G43-V57 VanDerWaalsContact O-CA 3.3Å; G43-V57 WeakPolarHBondContact O-CA 3.5Å; V57-P230 HydrophobicContact CB-CB 4.14Å; V57-P230 HydrophobicContact CG1-CB 3.68Å; V57-P230 HydrophobicContact CG1-CG 3.78Å; V57-A233 HydrophobicContact CG2-CB 3.75Å; V57-V245 HydrophobicContact CG2-CG1 4.29Å; V57-V245 HydrophobicContact CG2-CG2 4.07Å
58A98.4Very high96.9Very high1 Ų172.2 Ų72.21%0.00835%0.349CS..EExtended strand (participates in β ladder)trans-156.5161.6177.100000110.7G43 L45 I208 M246G43-A58 PolarHBondContact N-O 3.11Å; G43-A58 PolarHBondContact O-N 2.9Å; G43-A58 VanDerWaalsContact O-O 3.09Å; L45-A58 HydrophobicContact CD1-CB 4.18Å; L45-A58 HydrophobicContact CD2-CB 3.46Å; L45-A58 VanDerWaalsContact CD2-CB 3.46Å; L45-A58 HydrophobicContact CG-CB 3.7Å; A58-I208 HydrophobicContact CB-CD1 4.06Å; A58-I208 HydrophobicContact CB-CG2 4.24Å; A58-M246 CarbonylContact C-O 3.46Å; A58-M246 VanDerWaalsContact CA-O 3.29Å; A58-M246 WeakPolarHBondContact CA-O 3.4Å; A58-M246 WeakPolarHBondContact CB-O 3.33Å
59A98.6Very high97.1Very high0 Ų066.8 Ų66.80%032%0.324CS..EExtended strand (participates in β ladder)trans-103.888.8174.600000109.2P23 I42 M246 G247 E248 I358P23-A59 HydrophobicContact CB-CB 3.76Å; P23-A59 HydrophobicContact CG-CB 3.56Å; P23-A59 VanDerWaalsContact CG-O 3.29Å; P23-A59 WeakPolarHBondContact CG-O 3.3Å; I42-A59 HydrophobicContact CG1-CB 4.04Å; A59-M246 PolarHBondContact N-O 3.32Å; A59-G247 VanDerWaalsContact O-CA 3.32Å; A59-G247 WeakPolarHBondContact O-CA 3.36Å; A59-E248 PolarHBondContact O-N 3.35Å; A59-E248 VanDerWaalsContact O-N 3.13Å; A59-I358 WeakPolarHBondContact CB-O 3.45Å
60L98.2Very high97.3Very high69 Ų6962 Ų6236%0.36130%0.301SS..PPolyproline II helixtrans-84.7142.2178.3-69.8160.7000109.5I208 E248L60-I208 HydrophobicContact CD2-CB 4.12Å; L60-I208 HydrophobicContact CD2-CD1 3.69Å; L60-I208 HydrophobicContact CD2-CG2 3.94Å; L60-I208 HydrophobicContact CG-CD1 4.2Å; L60-E248 VanDerWaalsContact CD2-OE1 3.28Å; L60-E248 WeakPolarHBondContact CD2-OE1 3.42Å
61V98.5Very high97.4Very high2 Ų263.7 Ų63.71%0.01231%0.311CS..PPolyproline II helixtrans-69131170.8170.20000108.2V21 R63 F70 E248V21-V61 HydrophobicContact CG1-CB 4.31Å; V21-V61 HydrophobicContact CG1-CG1 3.52Å; V21-V61 HydrophobicContact CG1-CG2 3.88Å; V61-R63 VanDerWaalsContact O-CZ 3.22Å; V61-R63 PolarHBondContact O-N 2.85Å; V61-R63 PolarHBondContact O-NH1 3.42Å; V61-R63 PolarHBondContact O-NH2 3.12Å; V61-F70 HydrophobicContact CG1-CB 4.07Å; V61-E248 HydrophobicContact CB-CG 4.45Å; V61-E248 HydrophobicContact CG2-CG 3.98Å; V61-E248 WeakPolarHBondContact CG2-O 3.5Å; V61-E248 PolarHBondContact N-OE1 3.25Å
62P98Very high97.4Very high44 Ų4461.4 Ų61.429%0.28630%0.3SS..PPolyproline II helixtrans-55.3135.7177.9-26.234.5000112.4Q69 F70P62-Q69 HydrophobicContact CB-CG 4.09Å; P62-F70 WeakPolarHBondContact O-CB 3.23Å; P62-F70 PolarHBondContact O-N 3.43Å
63R97.2Very high97.4Very high77 Ų7759.7 Ų59.729%0.29129%0.293SS..BIsolated β-bridgetrans-114.7143.6-179.2-57.2-67.3172.9-118.7-16.9110.5V61 F89 E248V61-R63 VanDerWaalsContact O-CZ 3.22Å; V61-R63 PolarHBondContact O-N 2.85Å; V61-R63 PolarHBondContact O-NH1 3.42Å; V61-R63 PolarHBondContact O-NH2 3.12Å; R63-F89 VanDerWaalsContact CZ-CZ 3.42Å; R63-E248 IonicContact CZ-OE1 3.55Å; R63-E248 VanDerWaalsContact NH2-CD 3.33Å; R63-E248 IonicContact NH2-OE1 3.49Å; R63-E248 PolarHBondContact NH2-OE1 2.9Å; R63-E248 IonicContact NH2-OE2 2.76Å
64G97.3Very high97.4Very high28 Ų2863.1 Ų63.129%0.28930%0.304SS..SBendtrans141.9-168.2176.100000111.9Q69 F70 D71G64-Q69 VanDerWaalsContact C-OE1 3.27Å; G64-F70 PolarHBondContact N-O 2.84Å; G64-F70 CarbonylContact O-C 3.48Å; G64-D71 WeakPolarHBondContact O-CA 3.45Å; G64-D71 WeakPolarHBondContact O-CB 3.16Å; G64-D71 PolarHBondContact O-N 2.9Å
65K95.6Very high97.3Very high150 Ų15059.8 Ų59.865%0.65228%0.281SS*.SBendtrans-105.3-4-174.4-65.2-175.4171.8-167.20113.5
66E96.6Very high97.3Very high139 Ų13963.5 Ų63.565%0.6530%0.304SS*.SBendtrans-74.9164.4178.5-54.8176.716100110H68 Q69E66-H68 PolarHBondContact O-N 3.47Å; E66-Q69 HydrophobicContact CB-CG 4.34Å; E66-Q69 VanDerWaalsContact N-OE1 3.13Å; E66-Q69 WeakPolarHBondContact O-CB 3.25Å; E66-Q69 PolarHBondContact O-N 3.02Å; E66-Q69 VanDerWaalsContact O-N 3.1Å; E66-Q69 PolarHBondContact OE2-NE2 3.17Å
67E95.7Very high97.1Very high162 Ų16267.4 Ų67.476%0.75733%0.327SS*.THydrogen-bonded Turntrans-54.7138.1178-163.4-179.1-167.300111.3Q69E67-Q69 PolarHBondContact O-N 3.18Å; E67-Q69 VanDerWaalsContact O-N 3.14Å
68H97.7Very high96.9Very high64 Ų6469.1 Ų69.130%0.29634%0.342SS..THydrogen-bonded Turntrans61.811.4-177.3-49.4-62.8000116.1G25 V26 R30 E66G25-H68 CarbonylContact C-O 3.54Å; G25-H68 WeakPolarHBondContact CA-O 3.25Å; V26-H68 PolarHBondContact N-O 3.46Å; V26-H68 PolarHBondContact O-ND1 3.33Å; R30-H68 HydrophobicContact CG-CB 3.88Å; E66-H68 PolarHBondContact O-N 3.47Å
69Q98.4Very high96.7Very high51 Ų5171.1 Ų71.124%0.23835%0.351CS..SBendtrans-92.2151.8165.1-66172.8-8.500110.3P62 G64 E66 E67 D71P62-Q69 HydrophobicContact CB-CG 4.09Å; G64-Q69 VanDerWaalsContact C-OE1 3.27Å; E66-Q69 HydrophobicContact CB-CG 4.34Å; E66-Q69 VanDerWaalsContact N-OE1 3.13Å; E66-Q69 WeakPolarHBondContact O-CB 3.25Å; E66-Q69 PolarHBondContact O-N 3.02Å; E66-Q69 VanDerWaalsContact O-N 3.1Å; E66-Q69 PolarHBondContact OE2-NE2 3.17Å; E67-Q69 PolarHBondContact O-N 3.18Å; E67-Q69 VanDerWaalsContact O-N 3.14Å; Q69-D71 PolarHBondContact O-N 3.4Å
70F98.4Very high96.5Very high3 Ų373.7 Ų73.71%0.01336%0.361CS..BIsolated β-bridgetrans-80.1106.4172.9-176.1-96.1000109.6V21 V26 V61 P62 G64 E72 F75 W80 A88 F89 V92V21-F70 HydrophobicContact CG1-CD2 4.41Å; V26-F70 HydrophobicContact CG2-CB 3.9Å; V26-F70 HydrophobicContact CG2-CD2 4.46Å; V61-F70 HydrophobicContact CG1-CB 4.07Å; P62-F70 WeakPolarHBondContact O-CB 3.23Å; P62-F70 PolarHBondContact O-N 3.43Å; G64-F70 PolarHBondContact N-O 2.84Å; G64-F70 CarbonylContact O-C 3.48Å; F70-E72 HydrophobicContact CD1-CG 3.9Å; F70-E72 HydrophobicContact CE1-CG 3.79Å; F70-E72 PolarHBondContact O-N 3.49Å; F70-F75 HydrophobicContact CE2-CE2 4.25Å; F70-F75 AromaticContact CZ-CE2 3.81Å; F70-F75 HydrophobicContact CZ-CE2 3.81Å; F70-W80 HydrophobicContact CE1-CH2 4.33Å; F70-W80 HydrophobicContact CE1-CZ2 4.45Å; F70-A88 HydrophobicContact CZ-CB 3.72Å; F70-F89 HydrophobicContact CD1-CD1 4.32Å; F70-F89 AromaticContact CD1-CE1 3.85Å; F70-F89 HydrophobicContact CD1-CE1 3.85Å; F70-F89 AromaticContact CD2-CD1 3.77Å; F70-F89 HydrophobicContact CD2-CD1 3.77Å; F70-F89 HydrophobicContact CD2-CE1 4.09Å; F70-F89 HydrophobicContact CE1-CD1 4.06Å; F70-F89 AromaticContact CE1-CE1 3.75Å; F70-F89 HydrophobicContact CE1-CE1 3.75Å; F70-F89 AromaticContact CE2-CD1 3.51Å; F70-F89 HydrophobicContact CE2-CD1 3.51Å; F70-F89 HydrophobicContact CE2-CE1 4.03Å; F70-F89 HydrophobicContact CG-CD1 4.17Å; F70-F89 HydrophobicContact CG-CE1 4.01Å; F70-F89 AromaticContact CZ-CD1 3.65Å; F70-F89 HydrophobicContact CZ-CD1 3.65Å; F70-F89 AromaticContact CZ-CE1 3.84Å; F70-F89 HydrophobicContact CZ-CE1 3.84Å; F70-V92 HydrophobicContact CD2-CG2 4.21Å; F70-V92 HydrophobicContact CE2-CB 4.32Å; F70-V92 HydrophobicContact CE2-CG2 3.61Å
71D97.7Very high96.2Very high49 Ų4977.1 Ų77.126%0.26237%0.369SS..  trans-83.1106.5175.6-175.19.3000110.7G64 Q69 K73 R74G64-D71 WeakPolarHBondContact O-CA 3.45Å; G64-D71 WeakPolarHBondContact O-CB 3.16Å; G64-D71 PolarHBondContact O-N 2.9Å; Q69-D71 PolarHBondContact O-N 3.4Å; D71-K73 PolarHBondContact O-N 3.48Å; D71-K73 WeakPolarHBondContact OD1-CB 3.37Å; D71-K73 PolarHBondContact OD1-N 3.02Å; D71-R74 WeakPolarHBondContact O-CD 3.4Å; D71-R74 WeakPolarHBondContact O-CG 3.32Å; D71-R74 PolarHBondContact O-N 2.87Å
72E95.2Very high95.9Very high87 Ų8781 Ų8141%0.40739%0.387SS..G310 helixtrans-65.7-23.6175.5-68.6-176.5-174.600112.9F70 R74 F75 W80F70-E72 HydrophobicContact CD1-CG 3.9Å; F70-E72 HydrophobicContact CE1-CG 3.79Å; F70-E72 PolarHBondContact O-N 3.49Å; E72-R74 PolarHBondContact O-N 2.84Å; E72-F75 PolarHBondContact O-N 3.18Å; E72-W80 HydrophobicContact CB-CZ2 3.93Å; E72-W80 HydrophobicContact CG-CZ2 4.01Å; E72-W80 PolarHBondContact O-NE1 3.3Å
73K95.1Very high95.7Very high161 Ų16178.9 Ų78.970%0.737%0.373SS*.G310 helixtrans-79.1-4.1-177.8-61.5-170.9178.1-176.20113.5D71 F75D71-K73 PolarHBondContact O-N 3.48Å; D71-K73 WeakPolarHBondContact OD1-CB 3.37Å; D71-K73 PolarHBondContact OD1-N 3.02Å; K73-F75 PolarHBondContact O-N 2.74Å
74R96.1Very high95.5Very high106 Ų10675.3 Ų75.340%0.436%0.36SS..G310 helixtrans-69.6-21172.179.6-177.9-69.3-178.6-4.7113.1D71 E72 V92 E95D71-R74 WeakPolarHBondContact O-CD 3.4Å; D71-R74 WeakPolarHBondContact O-CG 3.32Å; D71-R74 PolarHBondContact O-N 2.87Å; E72-R74 PolarHBondContact O-N 2.84Å; R74-V92 VanDerWaalsContact NH1-CG2 3.32Å; R74-E95 IonicContact CZ-OE2 2.83Å; R74-E95 IonicContact NH1-OE2 3.66Å; R74-E95 IonicContact NH2-OE1 2.57Å; R74-E95 IonicContact NH2-OE2 3.91Å; R74-E95 PolarHBondContact NH2-OE2 2.81Å
75F96.9Very high95.4Very high9 Ų976.8 Ų76.84%0.03936%0.358CS..SBendtrans-101.5139178.4-59.2-71.6000109.8F70 E72 K73 E79 W80 M83 A88 V91 V92F70-F75 HydrophobicContact CE2-CE2 4.25Å; F70-F75 AromaticContact CZ-CE2 3.81Å; F70-F75 HydrophobicContact CZ-CE2 3.81Å; E72-F75 PolarHBondContact O-N 3.18Å; K73-F75 PolarHBondContact O-N 2.74Å; F75-E79 HydrophobicContact CB-CB 4.26Å; F75-W80 HydrophobicContact CB-CG 4.44Å; F75-W80 AromaticContact CD2-CZ2 3.88Å; F75-W80 HydrophobicContact CD2-CZ2 3.88Å; F75-M83 HydrophobicContact CB-CE 4.13Å; F75-M83 HydrophobicContact CD1-CE 3.55Å; F75-M83 HydrophobicContact CD2-CE 4.34Å; F75-M83 HydrophobicContact CE1-CE 3.95Å; F75-M83 HydrophobicContact CG-CE 3.75Å; F75-A88 HydrophobicContact CD2-CB 4.35Å; F75-A88 HydrophobicContact CE2-CB 3.85Å; F75-A88 HydrophobicContact CZ-CB 4.21Å; F75-V91 HydrophobicContact CE1-CB 4.48Å; F75-V91 HydrophobicContact CE1-CG1 3.92Å; F75-V91 HydrophobicContact CZ-CB 4.44Å; F75-V91 HydrophobicContact CZ-CG1 4.21Å; F75-V92 HydrophobicContact CE2-CG2 4.21Å; F75-V92 HydrophobicContact CZ-CG2 3.82Å
76T96.5Very high95.5Very high79 Ų7969.9 Ų69.949%0.48533%0.329SS..  trans-71.5159.6174.862.80000111.3A78 E79 W80T76-A78 PolarHBondContact O-N 2.94Å; T76-A78 VanDerWaalsContact O-N 3.15Å; T76-E79 PolarHBondContact N-OE2 2.79Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E79 WeakPolarHBondContact OG1-CG 3.35Å; T76-E79 PolarHBondContact OG1-N 3.02Å; T76-E79 PolarHBondContact OG1-OE2 2.87Å; T76-W80 PolarHBondContact O-N 3.18Å
77D94.7Very high95.5Very high129 Ų12963.3 Ų63.369%0.6930%0.298SS*.Hα-helixtrans-56.7-31.3172.3-66.8-17.8000112.3R81D77-R81 WeakPolarHBondContact O-CG 2.9Å; D77-R81 PolarHBondContact O-N 3.34Å
78A93.4Very high95.6Very high41 Ų4155.6 Ų55.634%0.33926%0.262SS..Hα-helixtrans-68.3-38176.800000112.7T76 Q82T76-A78 PolarHBondContact O-N 2.94Å; T76-A78 VanDerWaalsContact O-N 3.15Å; A78-Q82 PolarHBondContact O-NE2 3.07Å
79E94.7Very high95.6Very high43 Ų4352.5 Ų52.520%0.20125%0.248CC..Hα-helixtrans-70.1-46.1172.8-72.6171111.900110.5F75 T76 R81 Q82 M83 R163F75-E79 HydrophobicContact CB-CB 4.26Å; T76-E79 PolarHBondContact N-OE2 2.79Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E79 WeakPolarHBondContact OG1-CG 3.35Å; T76-E79 PolarHBondContact OG1-N 3.02Å; T76-E79 PolarHBondContact OG1-OE2 2.87Å; E79-R81 PolarHBondContact O-N 3.14Å; E79-Q82 PolarHBondContact O-N 3.33Å; E79-M83 HydrophobicContact CB-CE 3.76Å; E79-M83 PolarHBondContact O-N 3.39Å; E79-R163 IonicContact OE1-NH1 3Å; E79-R163 PolarHBondContact OE1-NH1 3.31Å
80W94.9Very high95.6Very high55 Ų5550.1 Ų50.121%0.20824%0.237CC..Hα-helixtrans-60.9-28.3177.5-85.7122.6000113.6F70 E72 F75 T76 Q82 A88 R150F70-W80 HydrophobicContact CE1-CH2 4.33Å; F70-W80 HydrophobicContact CE1-CZ2 4.45Å; E72-W80 HydrophobicContact CB-CZ2 3.93Å; E72-W80 HydrophobicContact CG-CZ2 4.01Å; E72-W80 PolarHBondContact O-NE1 3.3Å; F75-W80 HydrophobicContact CB-CG 4.44Å; F75-W80 AromaticContact CD2-CZ2 3.88Å; F75-W80 HydrophobicContact CD2-CZ2 3.88Å; T76-W80 PolarHBondContact O-N 3.18Å; W80-Q82 PolarHBondContact O-N 3.34Å; W80-A88 HydrophobicContact CH2-CB 3.57Å; W80-A88 HydrophobicContact CZ2-CB 4.37Å; W80-A88 HydrophobicContact CZ3-CB 3.82Å; W80-R150 PolarHBondContact O-NH1 2.94Å
81R92.2Very high95.6Very high141 Ų14150 Ų5053%0.53224%0.236SC..THydrogen-bonded Turntrans-63.9-26.8172.4-82.7-175.7-69.1-130.61.7113.1D77 E79 Y146 R150D77-R81 WeakPolarHBondContact O-CG 2.9Å; D77-R81 PolarHBondContact O-N 3.34Å; E79-R81 PolarHBondContact O-N 3.14Å; R81-Y146 HydrophobicContact CB-CD2 4.25Å; R81-Y146 HydrophobicContact CB-CE2 4.47Å; R81-Y146 VanDerWaalsContact O-CB 3.3Å; R81-Y146 WeakPolarHBondContact O-CB 3.49Å; R81-R150 WeakPolarHBondContact O-CD 3.48Å; R81-R150 PolarHBondContact O-NH1 3.44Å; R81-R150 VanDerWaalsContact O-NH1 3.15Å
82Q90.9Very high95.7Very high83 Ų8348 Ų4839%0.38823%0.226SC..THydrogen-bonded Turntrans-102.2-19.2-175.4-66.1175.379.800113.6A78 E79 W80 Y146A78-Q82 PolarHBondContact O-NE2 3.07Å; E79-Q82 PolarHBondContact O-N 3.33Å; W80-Q82 PolarHBondContact O-N 3.34Å; Q82-Y146 HydrophobicContact CG-CD1 3.7Å; Q82-Y146 HydrophobicContact CG-CE1 3.63Å; Q82-Y146 HydrophobicContact CG-CG 4.24Å
83M94.3Very high95.8Very high0 Ų043.8 Ų43.80%021%0.206CC..  trans-108.8141.6-175-64.5-172.2-54.600112.8F75 E79 T87 A88 V91 R150 H159F75-M83 HydrophobicContact CB-CE 4.13Å; F75-M83 HydrophobicContact CD1-CE 3.55Å; F75-M83 HydrophobicContact CD2-CE 4.34Å; F75-M83 HydrophobicContact CE1-CE 3.95Å; F75-M83 HydrophobicContact CG-CE 3.75Å; E79-M83 HydrophobicContact CB-CE 3.76Å; E79-M83 PolarHBondContact O-N 3.39Å; M83-T87 HydrophobicContact CB-CG2 4.07Å; M83-T87 HydrophobicContact CG-CG2 3.79Å; M83-T87 HydrophobicContact SD-CG2 4.14Å; M83-A88 HydrophobicContact CE-CB 4.31Å; M83-V91 HydrophobicContact SD-CG2 4.19Å; M83-R150 PolarHBondContact O-NH1 2.8Å; M83-R150 PolarHBondContact O-NH2 3.43Å; M83-H159 WeakPolarHBondContact CG-NE2 3.41Å; M83-H159 PolarHBondContact SD-CE1 3.22Å
84S93.9Very high96Very high2 Ų236.1 Ų36.11%0.01417%0.173CC..  trans-78.3170.8157.773.60000111.4A86 T87 A88 M155S84-A86 VanDerWaalsContact C-N 3.35Å; S84-A86 PolarHBondContact O-N 2.87Å; S84-T87 WeakPolarHBondContact O-CB 3.49Å; S84-T87 PolarHBondContact O-N 2.95Å; S84-T87 PolarHBondContact OG-N 2.84Å; S84-T87 VanDerWaalsContact OG-N 3.16Å; S84-T87 PolarHBondContact OG-OG1 3.31Å; S84-A88 PolarHBondContact O-N 3.38Å; S84-M155 WeakPolarHBondContact OG-CE 3.21Å
85K95.1Very high96.1Very high59 Ų5934.8 Ų34.826%0.25717%0.171SC..Hα-helixtrans-64.7-40176.9-156.7-171.6-50.9159.20112.1T87 A88 F89 D124 S206K85-T87 VanDerWaalsContact C-N 3.29Å; K85-T87 PolarHBondContact O-N 2.99Å; K85-A88 PolarHBondContact O-N 3.34Å; K85-A88 VanDerWaalsContact O-N 3.17Å; K85-F89 HydrophobicContact CD-CE1 4.12Å; K85-F89 HydrophobicContact CD-CE2 4.35Å; K85-F89 HydrophobicContact CD-CZ 3.5Å; K85-F89 HydrophobicContact CG-CE1 3.81Å; K85-F89 HydrophobicContact CG-CE2 4.32Å; K85-F89 HydrophobicContact CG-CZ 3.54Å; K85-F89 PolarHBondContact O-N 2.64Å; K85-D124 PolarHBondContact N-OD2 2.89Å; K85-S206 WeakPolarHBondContact CD-OG 3.25Å
86A96.9Very high96.2Very high5 Ų537 Ų374%0.04118%0.182CC..Hα-helixtrans-60.6-39174.500000112.1S84 A88 F89 A90 I156 A204S84-A86 VanDerWaalsContact C-N 3.35Å; S84-A86 PolarHBondContact O-N 2.87Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-F89 PolarHBondContact O-N 3.44Å; A86-A90 PolarHBondContact O-N 3.28Å; A86-I156 HydrophobicContact CB-CD1 4.31Å; A86-A204 HydrophobicContact CB-CB 4.39Å; A86-A204 VanDerWaalsContact O-CB 3.26Å; A86-A204 WeakPolarHBondContact O-CB 3.43Å
87T96.9Very high96.3Very high0 Ų033.2 Ų33.20%016%0.159CC..Hα-helixtrans-62.6-43.8174.8-53.70000111.1M83 S84 K85 F89 A90 V91 M155 H159M83-T87 HydrophobicContact CB-CG2 4.07Å; M83-T87 HydrophobicContact CG-CG2 3.79Å; M83-T87 HydrophobicContact SD-CG2 4.14Å; S84-T87 WeakPolarHBondContact O-CB 3.49Å; S84-T87 PolarHBondContact O-N 2.95Å; S84-T87 PolarHBondContact OG-N 2.84Å; S84-T87 VanDerWaalsContact OG-N 3.16Å; S84-T87 PolarHBondContact OG-OG1 3.31Å; K85-T87 VanDerWaalsContact C-N 3.29Å; K85-T87 PolarHBondContact O-N 2.99Å; T87-F89 PolarHBondContact O-N 2.95Å; T87-A90 WeakPolarHBondContact O-CB 3.41Å; T87-A90 PolarHBondContact O-N 3.44Å; T87-V91 HydrophobicContact CG2-CG2 4.49Å; T87-V91 WeakPolarHBondContact O-CG2 3.35Å; T87-V91 PolarHBondContact O-N 3.47Å; T87-M155 WeakPolarHBondContact OG1-CE 3.29Å; T87-M155 PolarHBondContact OG1-SD 2.92Å; T87-H159 HydrophobicContact CG2-CB 4.03Å
88A97.4Very high96.5Very high0 Ų027.8 Ų27.80%013%0.129CC..Hα-helixtrans-63.6-39.8178.400000111.9F70 F75 W80 M83 S84 K85 A86 V91 V92F70-A88 HydrophobicContact CZ-CB 3.72Å; F75-A88 HydrophobicContact CD2-CB 4.35Å; F75-A88 HydrophobicContact CE2-CB 3.85Å; F75-A88 HydrophobicContact CZ-CB 4.21Å; W80-A88 HydrophobicContact CH2-CB 3.57Å; W80-A88 HydrophobicContact CZ2-CB 4.37Å; W80-A88 HydrophobicContact CZ3-CB 3.82Å; M83-A88 HydrophobicContact CE-CB 4.31Å; S84-A88 PolarHBondContact O-N 3.38Å; K85-A88 PolarHBondContact O-N 3.34Å; K85-A88 VanDerWaalsContact O-N 3.17Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A88-V91 PolarHBondContact O-N 3.4Å; A88-V92 WeakPolarHBondContact O-CG2 3.47Å; A88-V92 PolarHBondContact O-N 2.93Å; A88-V92 VanDerWaalsContact O-N 3.15Å
89F98.5Very high96.8Very high0 Ų029.2 Ų29.20%014%0.142CC..Hα-helixtrans-61-45.3171.5-60.9-17.4000112.2V21 R63 F70 K85 A86 T87 V91 V92 A93 E248 A250V21-F89 HydrophobicContact CB-CB 4.22Å; V21-F89 HydrophobicContact CG1-CB 4.06Å; V21-F89 HydrophobicContact CG1-CD1 3.91Å; V21-F89 HydrophobicContact CG1-CG 3.92Å; R63-F89 VanDerWaalsContact CZ-CZ 3.42Å; F70-F89 HydrophobicContact CD1-CD1 4.32Å; F70-F89 AromaticContact CD1-CE1 3.85Å; F70-F89 HydrophobicContact CD1-CE1 3.85Å; F70-F89 AromaticContact CD2-CD1 3.77Å; F70-F89 HydrophobicContact CD2-CD1 3.77Å; F70-F89 HydrophobicContact CD2-CE1 4.09Å; F70-F89 HydrophobicContact CE1-CD1 4.06Å; F70-F89 AromaticContact CE1-CE1 3.75Å; F70-F89 HydrophobicContact CE1-CE1 3.75Å; F70-F89 AromaticContact CE2-CD1 3.51Å; F70-F89 HydrophobicContact CE2-CD1 3.51Å; F70-F89 HydrophobicContact CE2-CE1 4.03Å; F70-F89 HydrophobicContact CG-CD1 4.17Å; F70-F89 HydrophobicContact CG-CE1 4.01Å; F70-F89 AromaticContact CZ-CD1 3.65Å; F70-F89 HydrophobicContact CZ-CD1 3.65Å; F70-F89 AromaticContact CZ-CE1 3.84Å; F70-F89 HydrophobicContact CZ-CE1 3.84Å; K85-F89 HydrophobicContact CD-CE1 4.12Å; K85-F89 HydrophobicContact CD-CE2 4.35Å; K85-F89 HydrophobicContact CD-CZ 3.5Å; K85-F89 HydrophobicContact CG-CE1 3.81Å; K85-F89 HydrophobicContact CG-CE2 4.32Å; K85-F89 HydrophobicContact CG-CZ 3.54Å; K85-F89 PolarHBondContact O-N 2.64Å; A86-F89 PolarHBondContact O-N 3.44Å; T87-F89 PolarHBondContact O-N 2.95Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 PolarHBondContact O-N 3.41Å; F89-V92 PolarHBondContact O-N 3.44Å; F89-A93 WeakPolarHBondContact O-CB 3.3Å; F89-A93 PolarHBondContact O-N 2.9Å; F89-E248 HydrophobicContact CE2-CB 4.35Å; F89-E248 HydrophobicContact CE2-CG 4.18Å; F89-A250 HydrophobicContact CB-CB 3.72Å
90A98.5Very high97Very high0 Ų029.4 Ų29.40%014%0.144CC..Hα-helixtrans-62.6-38.3178.800000112.2A86 T87 A93 A94 I156 A204A86-A90 PolarHBondContact O-N 3.28Å; T87-A90 WeakPolarHBondContact O-CB 3.41Å; T87-A90 PolarHBondContact O-N 3.44Å; A90-A93 PolarHBondContact O-N 3.26Å; A90-A94 WeakPolarHBondContact O-CB 3.4Å; A90-A94 PolarHBondContact O-N 3.04Å; A90-I156 HydrophobicContact CB-CG2 3.24Å; A90-A204 HydrophobicContact CB-CB 3.78Å
91V98.3Very high97.2Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-61.5-46.6175.6169.70000111F75 M83 T87 A88 F89 A94 E95 L160F75-V91 HydrophobicContact CE1-CB 4.48Å; F75-V91 HydrophobicContact CE1-CG1 3.92Å; F75-V91 HydrophobicContact CZ-CB 4.44Å; F75-V91 HydrophobicContact CZ-CG1 4.21Å; M83-V91 HydrophobicContact SD-CG2 4.19Å; T87-V91 HydrophobicContact CG2-CG2 4.49Å; T87-V91 WeakPolarHBondContact O-CG2 3.35Å; T87-V91 PolarHBondContact O-N 3.47Å; A88-V91 PolarHBondContact O-N 3.4Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 PolarHBondContact O-N 3.41Å; V91-A94 PolarHBondContact O-N 2.95Å; V91-E95 WeakPolarHBondContact O-CB 3.45Å; V91-E95 PolarHBondContact O-N 3.04Å; V91-L160 HydrophobicContact CG2-CD2 4Å
92V98.6Very high97.5Very high7 Ų728.2 Ų28.24%0.04215%0.147CC..Hα-helixtrans-64.8-44.4177.8175.40000111.6V21 V26 F70 R74 F75 A88 F89 E95 E96V21-V92 HydrophobicContact CG2-CB 3.93Å; V21-V92 HydrophobicContact CG2-CG1 3.79Å; V26-V92 HydrophobicContact CG1-CG1 3.64Å; F70-V92 HydrophobicContact CD2-CG2 4.21Å; F70-V92 HydrophobicContact CE2-CB 4.32Å; F70-V92 HydrophobicContact CE2-CG2 3.61Å; R74-V92 VanDerWaalsContact NH1-CG2 3.32Å; F75-V92 HydrophobicContact CE2-CG2 4.21Å; F75-V92 HydrophobicContact CZ-CG2 3.82Å; A88-V92 WeakPolarHBondContact O-CG2 3.47Å; A88-V92 PolarHBondContact O-N 2.93Å; A88-V92 VanDerWaalsContact O-N 3.15Å; F89-V92 PolarHBondContact O-N 3.44Å; V92-E95 PolarHBondContact O-N 3.24Å; V92-E96 PolarHBondContact O-N 3.39Å; V92-E96 VanDerWaalsContact O-N 3.16Å
93A98.9Very high97.8Very high0 Ų025.3 Ų25.30%013%0.133CC..Hα-helixtrans-65.1-38.617700000112.4G19 V21 F89 A90 E96 A97 A250 V252G19-A93 WeakPolarHBondContact CA-O 3.48Å; V21-A93 HydrophobicContact CG2-CB 4.22Å; F89-A93 WeakPolarHBondContact O-CB 3.3Å; F89-A93 PolarHBondContact O-N 2.9Å; A90-A93 PolarHBondContact O-N 3.26Å; A93-E96 PolarHBondContact O-N 2.66Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 3.17Å; A93-A250 HydrophobicContact CB-CB 3.93Å; A93-V252 HydrophobicContact CB-CB 4.18Å; A93-V252 HydrophobicContact CB-CG2 3.72Å
94A98.8Very high98Very high0 Ų033.8 Ų33.80%017%0.17CC..Hα-helixtrans-70-36.8178.100000112.5A90 V91 A97 L98 L160 I200 V252A90-A94 WeakPolarHBondContact O-CB 3.4Å; A90-A94 PolarHBondContact O-N 3.04Å; V91-A94 PolarHBondContact O-N 2.95Å; A94-A97 PolarHBondContact O-N 3.08Å; A94-L98 VanDerWaalsContact O-CB 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.44Å; A94-L98 VanDerWaalsContact O-CG 3.3Å; A94-L98 WeakPolarHBondContact O-CG 3.42Å; A94-L98 PolarHBondContact O-N 3.27Å; A94-L160 HydrophobicContact CB-CD1 4.13Å; A94-L160 HydrophobicContact CB-CD2 3.6Å; A94-I200 HydrophobicContact CB-CG2 4.42Å; A94-V252 HydrophobicContact CB-CG1 4.1Å; A94-V252 HydrophobicContact CB-CG2 4.27Å
95E98.5Very high98.1Very high78 Ų7834.5 Ų34.536%0.36417%0.174SC..Hα-helixtrans-60.3-46.3172.9-177.3-179.5-171.500111.2R74 V91 V92 A99R74-E95 IonicContact CZ-OE2 2.83Å; R74-E95 IonicContact NH1-OE2 3.66Å; R74-E95 IonicContact NH2-OE1 2.57Å; R74-E95 IonicContact NH2-OE2 3.91Å; R74-E95 PolarHBondContact NH2-OE2 2.81Å; V91-E95 WeakPolarHBondContact O-CB 3.45Å; V91-E95 PolarHBondContact O-N 3.04Å; V92-E95 PolarHBondContact O-N 3.24Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.47Å; E95-A99 PolarHBondContact O-N 2.92Å
96E98.8Very high98.1Very high55 Ų5537.6 Ų37.626%0.25719%0.194SC..Hα-helixtrans-60.4-49.4174-176.9-176.6-160.300111.3G19 A20 G27 A28 V92 A93 L98 A99 D100G19-E96 WeakPolarHBondContact CA-OE2 3.41Å; A20-E96 PolarHBondContact N-OE2 2.68Å; G27-E96 WeakPolarHBondContact CA-OE1 3.14Å; G27-E96 WeakPolarHBondContact CA-OE2 3.3Å; A28-E96 VanDerWaalsContact N-CD 3.29Å; A28-E96 PolarHBondContact N-OE1 3.4Å; A28-E96 PolarHBondContact N-OE2 3.01Å; A28-E96 VanDerWaalsContact N-OE2 3.08Å; V92-E96 PolarHBondContact O-N 3.39Å; V92-E96 VanDerWaalsContact O-N 3.16Å; A93-E96 PolarHBondContact O-N 2.66Å; E96-L98 PolarHBondContact O-N 3.32Å; E96-A99 PolarHBondContact O-N 2.9Å; E96-D100 WeakPolarHBondContact O-CB 3.36Å; E96-D100 PolarHBondContact O-N 2.78Å
97A98.9Very high98.2Very high0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-62.6-42-177.100000112.8A93 A94 A101 V252 I254A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 3.17Å; A94-A97 PolarHBondContact O-N 3.08Å; A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 3.39Å; A97-V252 HydrophobicContact CB-CB 4.16Å; A97-V252 HydrophobicContact CB-CG1 3.92Å; A97-I254 HydrophobicContact CB-CD1 3.97Å; A97-I254 HydrophobicContact CB-CG1 3.99Å; A97-I254 VanDerWaalsContact O-CG1 3.29Å; A97-I254 WeakPolarHBondContact O-CG1 3.49Å
98L98.8Very high98.2Very high14 Ų1444.6 Ų44.67%0.07323%0.232CC..Hα-helixtrans-67.1-40176.9-76.2166.5000111.8A94 E96 Q102 W103 Y164 I200 I254A94-L98 VanDerWaalsContact O-CB 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.44Å; A94-L98 VanDerWaalsContact O-CG 3.3Å; A94-L98 WeakPolarHBondContact O-CG 3.42Å; A94-L98 PolarHBondContact O-N 3.27Å; E96-L98 PolarHBondContact O-N 3.32Å; L98-Q102 PolarHBondContact O-N 3.27Å; L98-Q102 VanDerWaalsContact O-N 3.08Å; L98-W103 HydrophobicContact CD2-CB 4.42Å; L98-W103 PolarHBondContact O-N 3.38Å; L98-Y164 HydrophobicContact CD1-CD1 3.9Å; L98-Y164 HydrophobicContact CD1-CD2 3.75Å; L98-Y164 HydrophobicContact CD1-CE1 3.68Å; L98-Y164 HydrophobicContact CD1-CE2 3.51Å; L98-Y164 HydrophobicContact CD1-CG 3.94Å; L98-Y164 VanDerWaalsContact CD1-CZ 3.47Å; L98-I200 HydrophobicContact CD1-CD1 4.12Å; L98-I200 HydrophobicContact CD2-CD1 3.93Å; L98-I200 HydrophobicContact CD2-CG1 3.99Å; L98-I200 HydrophobicContact CG-CD1 4.4Å; L98-I254 HydrophobicContact CD2-CD1 3.84Å; L98-I254 HydrophobicContact CG-CD1 4.08Å
99A98.7Very high98.3Very high72 Ų7252.3 Ų52.360%0.59527%0.266SS*.Hα-helixtrans-65.7-43.717600000111.7E95 E96 Q102E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.47Å; E95-A99 PolarHBondContact O-N 2.92Å; E96-A99 PolarHBondContact O-N 2.9Å; A99-Q102 PolarHBondContact O-N 2.86Å
100D98.8Very high98.3Very high47 Ų4754.8 Ų54.825%0.25128%0.278SS..Hα-helixtrans-63.5-42.3176.5-175.744.7000111.9G17 V18 E96 Q102 Y269G17-D100 WeakPolarHBondContact CA-OD2 3.49Å; V18-D100 PolarHBondContact N-OD2 3.23Å; E96-D100 WeakPolarHBondContact O-CB 3.36Å; E96-D100 PolarHBondContact O-N 2.78Å; D100-Q102 PolarHBondContact O-N 3.21Å; D100-Y269 VanDerWaalsContact CG-OH 3.27Å; D100-Y269 PolarHBondContact OD1-OH 3.07Å; D100-Y269 WeakPolarHBondContact OD2-CE2 3.41Å; D100-Y269 PolarHBondContact OD2-OH 3.02Å
101A98.7Very high98.3Very high3 Ų356.1 Ų56.13%0.02528%0.284CS..THydrogen-bonded Turntrans-68.5-14.3172.800000113.9T16 A97 W103 I254 R264T16-A101 WeakPolarHBondContact O-CA 3.48Å; A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 3.39Å; A101-W103 HydrophobicContact CB-CB 4.1Å; A101-W103 PolarHBondContact O-N 3.17Å; A101-I254 HydrophobicContact CB-CB 3.85Å; A101-I254 HydrophobicContact CB-CG1 3.69Å; A101-I254 HydrophobicContact CB-CG2 3.92Å; A101-R264 VanDerWaalsContact O-CZ 3.31Å; A101-R264 PolarHBondContact O-NH1 3.47Å; A101-R264 PolarHBondContact O-NH2 3.06Å
102Q98.5Very high98.3Very high168 Ų16860.1 Ų60.179%0.78530%0.303SS*.THydrogen-bonded Turntrans50.439.3-167.6-58-174-14.300112.1L98 A99 D100L98-Q102 PolarHBondContact O-N 3.27Å; L98-Q102 VanDerWaalsContact O-N 3.08Å; A99-Q102 PolarHBondContact O-N 2.86Å; D100-Q102 PolarHBondContact O-N 3.21Å
103W98.4Very high98.3Very high22 Ų2262.2 Ų62.28%0.08331%0.314CS..  trans-105.8114.6-179.3-174.5-115.5000110.8L98 A101 P105 E110 T114 V198 H260L98-W103 HydrophobicContact CD2-CB 4.42Å; L98-W103 PolarHBondContact O-N 3.38Å; A101-W103 HydrophobicContact CB-CB 4.1Å; A101-W103 PolarHBondContact O-N 3.17Å; W103-P105 HydrophobicContact CZ2-CB 4.1Å; W103-E110 HydrophobicContact CH2-CB 4.27Å; W103-E110 HydrophobicContact CH2-CG 3.89Å; W103-E110 HydrophobicContact CZ2-CB 4.09Å; W103-E110 HydrophobicContact CZ2-CG 4.23Å; W103-T114 PolarHBondContact NE1-OG1 3.01Å; W103-T114 VanDerWaalsContact NE1-OG1 3.11Å; W103-V198 HydrophobicContact CD2-CG2 4.18Å; W103-V198 HydrophobicContact CG-CG1 4.25Å; W103-V198 HydrophobicContact CH2-CG2 4.36Å; W103-V198 HydrophobicContact CZ2-CB 4.49Å; W103-V198 HydrophobicContact CZ2-CG2 3.81Å; W103-H260 AromaticContact CH2-CE1 3.44Å; W103-H260 VanDerWaalsContact CH2-CE1 3.44Å; W103-H260 WeakPolarHBondContact CH2-CE1 3.35Å; W103-H260 AromaticContact CH2-NE2 3.68Å; W103-H260 AromaticContact CZ3-CE1 3.53Å
104K97.6Very high98.3Very high178 Ų17862.2 Ų62.277%0.77431%0.314SS*.  trans-13582.4177-172.3177.7179.6178.60109.3N106K104-N106 PolarHBondContact O-N 3.47Å
105P96.6Very high98.3Very high17 Ų1762.2 Ų62.211%0.1131%0.314CS..  trans-61.2128.9-177.127.3-33.4000109.1W103 E110 L111 I166W103-P105 HydrophobicContact CZ2-CB 4.1Å; P105-E110 HydrophobicContact CB-CB 3.66Å; P105-L111 HydrophobicContact CB-CD2 3.87Å; P105-L111 HydrophobicContact CB-CG 4.4Å; P105-L111 HydrophobicContact CG-CD2 3.95Å; P105-I166 HydrophobicContact CG-CD1 3.68Å
106N96Very high98.3Very high124 Ų12458.5 Ų58.566%0.66330%0.296SS*.  trans-134.7-16.1-17567.245.9000113.4K104 E110K104-N106 PolarHBondContact O-N 3.47Å; N106-E110 PolarHBondContact N-OE2 3.25Å; N106-E110 PolarHBondContact OD1-OE2 3.2Å
107T97.9Very high98.3Very high59 Ų5955.9 Ų55.936%0.36228%0.284SS..SBendtrans-93.4154.5171.267.60000110.9K109 E110 L111T107-K109 PolarHBondContact O-N 3.28Å; T107-E110 PolarHBondContact N-OE2 3.2Å; T107-E110 PolarHBondContact O-N 3.25Å; T107-E110 VanDerWaalsContact O-N 3.15Å; T107-E110 WeakPolarHBondContact OG1-CB 3.43Å; T107-E110 VanDerWaalsContact OG1-CD 3.27Å; T107-E110 WeakPolarHBondContact OG1-CG 3.33Å; T107-E110 PolarHBondContact OG1-N 2.89Å; T107-E110 PolarHBondContact OG1-OE2 3.36Å; T107-E110 VanDerWaalsContact OG1-OE2 3.05Å; T107-L111 WeakPolarHBondContact O-CG 3.27Å; T107-L111 PolarHBondContact O-N 2.77Å
108D97.8Very high98.3Very high92 Ų9255.9 Ų55.949%0.49228%0.284SS..Hα-helixtrans-59-35.6177.1-166.864000111.8L111 H112 K167D108-L111 PolarHBondContact O-N 3.4Å; D108-H112 WeakPolarHBondContact O-CB 3.16Å; D108-H112 PolarHBondContact O-N 3.16Å; D108-H112 PolarHBondContact O-ND1 3.43Å; D108-H112 IonicContact OD1-CE1 3.9Å; D108-H112 PolarHBondContact OD1-CE1 2.79Å; D108-H112 IonicContact OD1-ND1 2.74Å; D108-H112 PolarHBondContact OD1-ND1 2.66Å; D108-H112 IonicContact OD2-CE1 3.42Å; D108-H112 PolarHBondContact OD2-CE1 3.47Å; D108-H112 IonicContact OD2-ND1 3.28Å; D108-H112 PolarHBondContact OD2-ND1 3.45Å; D108-H112 VanDerWaalsContact OD2-ND1 3.13Å; D108-K167 IonicContact OD1-NZ 2.78Å; D108-K167 PolarHBondContact OD1-NZ 3.08Å
109K98Very high98.2Very high162 Ų16255.2 Ų55.270%0.70428%0.281SS*.Hα-helixtrans-61.5-48.2174.3-175-176.3177.3-170.40112.2T107 H112 N113T107-K109 PolarHBondContact O-N 3.28Å; K109-H112 PolarHBondContact O-N 3.03Å; K109-N113 WeakPolarHBondContact O-CB 3.36Å; K109-N113 PolarHBondContact O-N 2.91Å; K109-N113 PolarHBondContact O-ND2 3.49Å
110E98.4Very high98.2Very high53 Ų5352.2 Ų52.225%0.24826%0.255CS..Hα-helixtrans-65.2-38.9179-68.9164.6154.800112W103 P105 N106 T107 N113 T114W103-E110 HydrophobicContact CH2-CB 4.27Å; W103-E110 HydrophobicContact CH2-CG 3.89Å; W103-E110 HydrophobicContact CZ2-CB 4.09Å; W103-E110 HydrophobicContact CZ2-CG 4.23Å; P105-E110 HydrophobicContact CB-CB 3.66Å; N106-E110 PolarHBondContact N-OE2 3.25Å; N106-E110 PolarHBondContact OD1-OE2 3.2Å; T107-E110 PolarHBondContact N-OE2 3.2Å; T107-E110 PolarHBondContact O-N 3.25Å; T107-E110 VanDerWaalsContact O-N 3.15Å; T107-E110 WeakPolarHBondContact OG1-CB 3.43Å; T107-E110 VanDerWaalsContact OG1-CD 3.27Å; T107-E110 WeakPolarHBondContact OG1-CG 3.33Å; T107-E110 PolarHBondContact OG1-N 2.89Å; T107-E110 PolarHBondContact OG1-OE2 3.36Å; T107-E110 VanDerWaalsContact OG1-OE2 3.05Å; E110-N113 CarbonylContact O-C 3.51Å; E110-N113 PolarHBondContact O-N 2.9Å; E110-T114 WeakPolarHBondContact O-CB 3.48Å; E110-T114 PolarHBondContact O-N 3.49Å; E110-T114 PolarHBondContact O-OG1 2.77Å
111L98.5Very high98Very high27 Ų2750.4 Ų50.414%0.14125%0.248CC..Hα-helixtrans-66.3-39.2178.1-66.3168.8000111.8P105 T107 D108 G165 I166 K167 G168P105-L111 HydrophobicContact CB-CD2 3.87Å; P105-L111 HydrophobicContact CB-CG 4.4Å; P105-L111 HydrophobicContact CG-CD2 3.95Å; T107-L111 WeakPolarHBondContact O-CG 3.27Å; T107-L111 PolarHBondContact O-N 2.77Å; D108-L111 PolarHBondContact O-N 3.4Å; L111-G165 WeakPolarHBondContact CD2-O 3.45Å; L111-I166 HydrophobicContact CD2-CD1 4.4Å; L111-K167 HydrophobicContact CB-CD 4.44Å; L111-K167 HydrophobicContact CB-CG 4.37Å; L111-K167 PolarHBondContact O-N 2.81Å; L111-G168 PolarHBondContact O-N 3.25Å
112H98.4Very high97.8Very high84 Ų8452.9 Ų52.939%0.38926%0.259SS..Hα-helixtrans-70.5-30174.7-75.2102.1000113D108 K109 G168D108-H112 WeakPolarHBondContact O-CB 3.16Å; D108-H112 PolarHBondContact O-N 3.16Å; D108-H112 PolarHBondContact O-ND1 3.43Å; D108-H112 IonicContact OD1-CE1 3.9Å; D108-H112 PolarHBondContact OD1-CE1 2.79Å; D108-H112 IonicContact OD1-ND1 2.74Å; D108-H112 PolarHBondContact OD1-ND1 2.66Å; D108-H112 IonicContact OD2-CE1 3.42Å; D108-H112 PolarHBondContact OD2-CE1 3.47Å; D108-H112 IonicContact OD2-ND1 3.28Å; D108-H112 PolarHBondContact OD2-ND1 3.45Å; D108-H112 VanDerWaalsContact OD2-ND1 3.13Å; K109-H112 PolarHBondContact O-N 3.03Å; H112-G168 VanDerWaalsContact O-CA 3.23Å; H112-G168 WeakPolarHBondContact O-CA 3.21Å
113N98.4Very high97.6Very high51 Ų5147.5 Ų47.527%0.27324%0.236SC..THydrogen-bonded Turntrans-94.92.9179.5-71.2-23.1000114K109 E110 A196 N197 V198K109-N113 WeakPolarHBondContact O-CB 3.36Å; K109-N113 PolarHBondContact O-N 2.91Å; K109-N113 PolarHBondContact O-ND2 3.49Å; E110-N113 CarbonylContact O-C 3.51Å; E110-N113 PolarHBondContact O-N 2.9Å; N113-A196 CarbonylContact O-C 3.47Å; N113-A196 WeakPolarHBondContact O-CA 3.35Å; N113-A196 WeakPolarHBondContact O-CB 3.17Å; N113-N197 HydrophobicContact CB-CB 4.39Å; N113-N197 WeakPolarHBondContact CB-OD1 3.44Å; N113-N197 PolarHBondContact ND2-OD1 3.48Å; N113-N197 PolarHBondContact O-N 3.34Å; N113-V198 PolarHBondContact O-N 3.41Å
114T98.8Very high97.2Very high0 Ų047 Ų470%023%0.234CC..EExtended strand (participates in β ladder)trans-102.9135.9169.2-550000108.3W103 E110 I166 G168 V198 I200W103-T114 PolarHBondContact NE1-OG1 3.01Å; W103-T114 VanDerWaalsContact NE1-OG1 3.11Å; E110-T114 WeakPolarHBondContact O-CB 3.48Å; E110-T114 PolarHBondContact O-N 3.49Å; E110-T114 PolarHBondContact O-OG1 2.77Å; T114-I166 VanDerWaalsContact C-CG2 3.42Å; T114-I166 HydrophobicContact CG2-CD1 3.72Å; T114-I166 HydrophobicContact CG2-CG1 4.44Å; T114-I166 HydrophobicContact CG2-CG2 4Å; T114-I166 WeakPolarHBondContact O-CG2 3.42Å; T114-G168 WeakPolarHBondContact O-CA 3.14Å; T114-G168 PolarHBondContact O-N 3.47Å; T114-V198 CarbonylContact C-O 3.52Å; T114-V198 VanDerWaalsContact CA-O 3.25Å; T114-V198 WeakPolarHBondContact CA-O 3.08Å; T114-V198 HydrophobicContact CG2-CB 4.2Å; T114-V198 HydrophobicContact CG2-CG1 4.29Å; T114-I200 HydrophobicContact CG2-CD1 4.44Å
115G98.8Very high97Very high0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-124.1172.9173.600000113.1P169 V198 M199 I200G115-P169 CarbonylContact C-O 3.6Å; G115-P169 WeakPolarHBondContact CA-O 3.27Å; G115-V198 PolarHBondContact N-O 2.93Å; G115-M199 WeakPolarHBondContact CA-SD 3.28Å; G115-M199 WeakPolarHBondContact O-CA 3.49Å; G115-I200 PolarHBondContact O-N 3.24Å
116V98.9Very high96.9Very high0 Ų040.7 Ų40.70%021%0.21CC..EExtended strand (participates in β ladder)trans-129.3126.4178.2-173.10000109.2I118 A157 L160 A161 I166 P169 N170 H171 I200V116-I118 HydrophobicContact CG1-CB 4.41Å; V116-I118 HydrophobicContact CG1-CG1 3.64Å; V116-A157 HydrophobicContact CG1-CB 3.98Å; V116-L160 HydrophobicContact CG1-CB 4.16Å; V116-A161 HydrophobicContact CG2-CB 4.07Å; V116-I166 HydrophobicContact CG2-CB 4.07Å; V116-I166 HydrophobicContact CG2-CG1 4.15Å; V116-I166 HydrophobicContact CG2-CG2 3.89Å; V116-P169 PolarHBondContact N-O 3.19Å; V116-N170 WeakPolarHBondContact O-CA 3.33Å; V116-H171 PolarHBondContact O-N 3.29Å; V116-I200 CarbonylContact C-O 3.59Å; V116-I200 WeakPolarHBondContact CA-O 3.32Å; V116-I200 HydrophobicContact CG2-CB 4.46Å; V116-I200 HydrophobicContact CG2-CD1 4.26Å
117S98.7Very high96.7Very high0 Ų035.7 Ų35.70%018%0.183CC..EExtended strand (participates in β ladder)trans-132.286.2174.4-178.40000109.1H171 S183 I200 C201 G202S117-H171 WeakPolarHBondContact CA-O 3.33Å; S117-S183 PolarHBondContact O-OG 2.82Å; S117-S183 PolarHBondContact OG-O 3.38Å; S117-S183 PolarHBondContact OG-OG 2.95Å; S117-S183 VanDerWaalsContact OG-OG 3.14Å; S117-I200 PolarHBondContact N-O 3.35Å; S117-C201 CarbonylContact O-C 3.58Å; S117-C201 WeakPolarHBondContact O-CA 3.43Å; S117-G202 PolarHBondContact O-N 3.35Å
118I98.7Very high96.5Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-123.8113.4-175.3-56.5-75000109.9V116 I156 A157 L160 H171 I200 C201 G202 V252V116-I118 HydrophobicContact CG1-CB 4.41Å; V116-I118 HydrophobicContact CG1-CG1 3.64Å; I118-I156 HydrophobicContact CB-CG2 4.21Å; I118-I156 HydrophobicContact CG2-CB 3.93Å; I118-I156 HydrophobicContact CG2-CG2 3.38Å; I118-A157 HydrophobicContact CB-CB 4.26Å; I118-L160 HydrophobicContact CB-CD1 4.48Å; I118-L160 HydrophobicContact CD1-CD1 4.33Å; I118-L160 HydrophobicContact CG1-CD1 3.76Å; I118-H171 PolarHBondContact N-O 2.87Å; I118-I200 HydrophobicContact CD1-CG2 4.39Å; I118-C201 VanDerWaalsContact CD1-C 3.5Å; I118-G202 WeakPolarHBondContact CA-O 3.38Å; I118-V252 HydrophobicContact CD1-CG1 4.32Å; I118-V252 HydrophobicContact CD1-CG2 4.16Å
119G98.2Very high96.4Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-94167.9179.300000114.1V173 S183 G202 S203 A204G119-V173 WeakPolarHBondContact CA-O 3.31Å; G119-S183 PolarHBondContact N-OG 2.79Å; G119-G202 PolarHBondContact N-O 2.93Å; G119-S203 WeakPolarHBondContact O-CA 3.36Å; G119-S203 WeakPolarHBondContact O-CB 3.22Å; G119-A204 PolarHBondContact O-N 3.28Å
120T97.5Very high96.2Very high9 Ų932.9 Ų32.96%0.05517%0.168CC..  trans-141.4141.2165.9-167.80000109.3M122 P153 S174 A204T120-M122 PolarHBondContact OG1-O 2.84Å; T120-M122 VanDerWaalsContact OG1-O 3.08Å; T120-P153 HydrophobicContact CG2-CB 4.39Å; T120-S174 WeakPolarHBondContact O-CB 3.45Å; T120-S174 PolarHBondContact O-OG 3.33Å; T120-A204 WeakPolarHBondContact CB-O 3.31Å; T120-A204 PolarHBondContact OG1-O 3.22Å
121G95.4Very high96Very high10 Ų1031.9 Ų31.910%0.10317%0.165CC..SBendtrans-78.8-39.4-175.600000112.1E205G121-E205 PolarHBondContact N-OE2 2.86Å
122M94.2Very high95.9Very high54 Ų5432.2 Ų32.227%0.26618%0.176SC..SBendtrans-134.8147.4175.3-74176.5-78.800109.3T120 E205 S207 F216 L362T120-M122 PolarHBondContact OG1-O 2.84Å; T120-M122 VanDerWaalsContact OG1-O 3.08Å; M122-E205 PolarHBondContact N-OE2 3.35Å; M122-S207 WeakPolarHBondContact CB-OG 3.33Å; M122-F216 HydrophobicContact CE-CE2 3.96Å; M122-F216 HydrophobicContact CE-CZ 3.99Å; M122-F216 HydrophobicContact SD-CE2 4.34Å; M122-F216 HydrophobicContact SD-CZ 4.32Å; M122-L362 HydrophobicContact CE-CB 4.23Å; M122-L362 HydrophobicContact CE-CD1 3.41Å; M122-L362 VanDerWaalsContact CE-CD1 3.41Å; M122-L362 HydrophobicContact CE-CD2 4.09Å; M122-L362 HydrophobicContact CE-CG 4.1Å
123I93.6Very high95.8Very high55 Ų5531.4 Ų31.428%0.28218%0.176SC..  trans-67.5159170.265.2170.3000109.8L125 V128 I151 P153I123-L125 VanDerWaalsContact C-N 3.33Å; I123-L125 HydrophobicContact CD1-CD2 4.21Å; I123-L125 HydrophobicContact CG1-CD2 3.92Å; I123-L125 PolarHBondContact O-N 3.45Å; I123-V128 HydrophobicContact CD1-CG2 3.83Å; I123-I151 HydrophobicContact CD1-CB 4.42Å; I123-I151 VanDerWaalsContact CG2-O 3.27Å; I123-I151 WeakPolarHBondContact CG2-O 3.28Å; I123-P153 HydrophobicContact CG2-CG 4.16Å
124D90.8Very high95.6Very high11 Ų1134.5 Ų34.56%0.05918%0.184CC..  trans-69.689.1177.4-164.8-27.9000110.4K85 S126 D127 V128K85-D124 PolarHBondContact N-OD2 2.89Å; D124-S126 PolarHBondContact O-N 2.9Å; D124-S126 VanDerWaalsContact O-N 3.11Å; D124-S126 WeakPolarHBondContact OD1-CB 3.03Å; D124-S126 PolarHBondContact OD1-N 2.9Å; D124-S126 VanDerWaalsContact OD1-N 3.13Å; D124-S126 PolarHBondContact OD1-OG 3.25Å; D124-D127 PolarHBondContact O-N 2.86Å; D124-V128 PolarHBondContact O-N 3.27Å
125L94.1Very high95.5Very high44 Ų4438.2 Ų38.223%0.2320%0.204CC..Hα-helixtrans-61.5-20.6-179.1-68.9-173.7000112.3I123 D127 V128 I129 L211 C212I123-L125 VanDerWaalsContact C-N 3.33Å; I123-L125 HydrophobicContact CD1-CD2 4.21Å; I123-L125 HydrophobicContact CG1-CD2 3.92Å; I123-L125 PolarHBondContact O-N 3.45Å; L125-D127 VanDerWaalsContact C-N 3.29Å; L125-D127 PolarHBondContact O-N 3.11Å; L125-V128 HydrophobicContact CD2-CG2 4.43Å; L125-V128 PolarHBondContact O-N 3.47Å; L125-I129 HydrophobicContact CB-CD1 4.41Å; L125-I129 WeakPolarHBondContact O-CB 3.16Å; L125-I129 VanDerWaalsContact O-CD1 3.31Å; L125-I129 WeakPolarHBondContact O-CD1 3.42Å; L125-I129 WeakPolarHBondContact O-CG1 3.04Å; L125-I129 PolarHBondContact O-N 3.27Å; L125-L211 HydrophobicContact CD1-CD2 4.23Å; L125-C212 VanDerWaalsContact CD1-SG 3.59Å
126S93Very high95.5Very high19 Ų1942.4 Ų42.413%0.13324%0.239CC..Hα-helixtrans-62.5-40.3175.2-39.40000111D124 K130D124-S126 PolarHBondContact O-N 2.9Å; D124-S126 VanDerWaalsContact O-N 3.11Å; D124-S126 WeakPolarHBondContact OD1-CB 3.03Å; D124-S126 PolarHBondContact OD1-N 2.9Å; D124-S126 VanDerWaalsContact OD1-N 3.13Å; D124-S126 PolarHBondContact OD1-OG 3.25Å; S126-K130 WeakPolarHBondContact O-CB 3.35Å; S126-K130 WeakPolarHBondContact O-CG 3.31Å; S126-K130 PolarHBondContact O-N 3.14Å
127D92.2Very high95.4Very high20 Ų2049 Ų4911%0.10727%0.269CS..Hα-helixtrans-68.1-39.2177.1-78.5-7.6000111.3D124 L125 T131 R150D124-D127 PolarHBondContact O-N 2.86Å; L125-D127 VanDerWaalsContact C-N 3.29Å; L125-D127 PolarHBondContact O-N 3.11Å; D127-T131 VanDerWaalsContact O-CB 3.25Å; D127-T131 WeakPolarHBondContact O-CB 3.41Å; D127-T131 PolarHBondContact O-N 2.86Å; D127-T131 PolarHBondContact O-OG1 3.14Å; D127-R150 IonicContact OD1-NH2 3.52Å; D127-R150 PolarHBondContact OD1-NH2 2.94Å; D127-R150 IonicContact OD2-CZ 3.53Å; D127-R150 VanDerWaalsContact OD2-CZ 3.25Å; D127-R150 IonicContact OD2-NE 3.1Å; D127-R150 PolarHBondContact OD2-NE 3.29Å; D127-R150 IonicContact OD2-NH2 3.77Å; D127-R150 PolarHBondContact OD2-NH2 3.38Å
128V95.1Very high95.3Very high49 Ų4954.3 Ų54.330%0.29729%0.294SS..Hα-helixtrans-63.6-49.6176.2-179.90000110.9I123 D124 L125 T131 G132 I151I123-V128 HydrophobicContact CD1-CG2 3.83Å; D124-V128 PolarHBondContact O-N 3.27Å; L125-V128 HydrophobicContact CD2-CG2 4.43Å; L125-V128 PolarHBondContact O-N 3.47Å; V128-T131 PolarHBondContact O-N 2.68Å; V128-G132 PolarHBondContact O-N 3.33Å; V128-I151 HydrophobicContact CG2-CG2 3.83Å
129I94.6Very high95.1Very high66 Ų6655.4 Ų55.434%0.33831%0.306SS..Hα-helixtrans-62.1-53-179.2-66.1159000110L125 T131 G132 T133 L211L125-I129 HydrophobicContact CB-CD1 4.41Å; L125-I129 WeakPolarHBondContact O-CB 3.16Å; L125-I129 VanDerWaalsContact O-CD1 3.31Å; L125-I129 WeakPolarHBondContact O-CD1 3.42Å; L125-I129 WeakPolarHBondContact O-CG1 3.04Å; L125-I129 PolarHBondContact O-N 3.27Å; I129-T131 VanDerWaalsContact C-N 3.31Å; I129-T131 PolarHBondContact O-N 3.22Å; I129-G132 PolarHBondContact O-N 3.05Å; I129-T133 PolarHBondContact O-N 3.34Å; I129-T133 PolarHBondContact O-OG1 3.22Å; I129-T133 VanDerWaalsContact O-OG1 3.11Å; I129-L211 HydrophobicContact CD1-CB 3.6Å; I129-L211 HydrophobicContact CD1-CD2 3.76Å; I129-L211 HydrophobicContact CD1-CG 4.34Å; I129-L211 HydrophobicContact CG1-CD2 4.07Å
130K93.4Very high95Very high138 Ų13860.2 Ų60.260%0.634%0.337SS*.Hα-helixtrans-58.7-43.3-178.9-73.2173-176.1177.30112S126 R134S126-K130 WeakPolarHBondContact O-CB 3.35Å; S126-K130 WeakPolarHBondContact O-CG 3.31Å; S126-K130 PolarHBondContact O-N 3.14Å; K130-R134 VanDerWaalsContact O-CG 3.31Å; K130-R134 WeakPolarHBondContact O-CG 3.27Å; K130-R134 PolarHBondContact O-N 3.47Å
131T94.9Very high94.8Very high32 Ų3269.8 Ų69.820%0.19638%0.377CS..Hα-helixtrans-70.6-42179.8-54.20000111.4D127 V128 I129 R134 L135 V143 F147D127-T131 VanDerWaalsContact O-CB 3.25Å; D127-T131 WeakPolarHBondContact O-CB 3.41Å; D127-T131 PolarHBondContact O-N 2.86Å; D127-T131 PolarHBondContact O-OG1 3.14Å; V128-T131 PolarHBondContact O-N 2.68Å; I129-T131 VanDerWaalsContact C-N 3.31Å; I129-T131 PolarHBondContact O-N 3.22Å; T131-R134 PolarHBondContact O-N 2.97Å; T131-L135 WeakPolarHBondContact O-CB 3.38Å; T131-L135 PolarHBondContact O-N 3.44Å; T131-V143 HydrophobicContact CG2-CB 4.5Å; T131-V143 HydrophobicContact CG2-CG1 4.04Å; T131-V143 HydrophobicContact CG2-CG2 4.12Å; T131-F147 HydrophobicContact CG2-CD1 4.46Å; T131-F147 HydrophobicContact CG2-CD2 3.6Å; T131-F147 HydrophobicContact CG2-CE2 3.74Å; T131-F147 HydrophobicContact CG2-CG 3.98Å; T131-F147 HydrophobicContact CG2-CZ 4.23Å; T131-F147 WeakPolarHBondContact OG1-CD2 3.16Å
132G96Very high94.7Very high35 Ų3571.9 Ų71.936%0.36139%0.386SS..Hα-helixtrans-62.2-43.8177.600000113V128 I129 L135 A136V128-G132 PolarHBondContact O-N 3.33Å; I129-G132 PolarHBondContact O-N 3.05Å; G132-L135 WeakPolarHBondContact O-CB 3.48Å; G132-L135 PolarHBondContact O-N 3.15Å; G132-A136 PolarHBondContact O-N 3.08Å
133T95.9Very high94.7Very high66 Ų6671.6 Ų71.641%0.40539%0.387SS..Hα-helixtrans-60.1-48.7174.4-61.50000111.1I129 L135 A136 E137I129-T133 PolarHBondContact O-N 3.34Å; I129-T133 PolarHBondContact O-OG1 3.22Å; I129-T133 VanDerWaalsContact O-OG1 3.11Å; T133-L135 VanDerWaalsContact C-N 3.33Å; T133-L135 PolarHBondContact O-N 3.11Å; T133-A136 PolarHBondContact O-N 2.9Å; T133-E137 HydrophobicContact CG2-CG 4.44Å; T133-E137 WeakPolarHBondContact CG2-OE1 3.41Å; T133-E137 WeakPolarHBondContact O-CG 3.4Å; T133-E137 PolarHBondContact O-N 2.84Å
134R95.9Very high94.7Very high117 Ų11771.3 Ų71.344%0.44239%0.39SS..Hα-helixtrans-63.1-38.1178-70.1176.671.2-178.16.7112.6K130 T131 A136 E137 Q138 I142K130-R134 VanDerWaalsContact O-CG 3.31Å; K130-R134 WeakPolarHBondContact O-CG 3.27Å; K130-R134 PolarHBondContact O-N 3.47Å; T131-R134 PolarHBondContact O-N 2.97Å; R134-A136 VanDerWaalsContact C-N 3.34Å; R134-E137 PolarHBondContact O-N 3.17Å; R134-Q138 WeakPolarHBondContact O-CA 3.25Å; R134-Q138 WeakPolarHBondContact O-CB 3.46Å; R134-Q138 PolarHBondContact O-N 3.35Å; R134-I142 HydrophobicContact CB-CG2 3.82Å
135L96.6Very high94.8Very high77 Ų7776.3 Ų76.340%0.40342%0.423SS..Hα-helixtrans-59.9-44.5174.8172.265.8000111.2T131 G132 T133 G139 P140 V143T131-L135 WeakPolarHBondContact O-CB 3.38Å; T131-L135 PolarHBondContact O-N 3.44Å; G132-L135 WeakPolarHBondContact O-CB 3.48Å; G132-L135 PolarHBondContact O-N 3.15Å; T133-L135 VanDerWaalsContact C-N 3.33Å; T133-L135 PolarHBondContact O-N 3.11Å; L135-G139 WeakPolarHBondContact O-CA 3.32Å; L135-G139 PolarHBondContact O-N 2.99Å; L135-P140 VanDerWaalsContact CD1-CA 3.47Å; L135-P140 HydrophobicContact CD1-CB 3.97Å; L135-V143 HydrophobicContact CB-CG2 4.34Å; L135-V143 HydrophobicContact CD1-CG2 4.07Å
136A97.1Very high94.7Very high89 Ų8978.5 Ų78.574%0.73643%0.429SS*.Hα-helixtrans-67.5-38.917900000112.6G132 T133 R134G132-A136 PolarHBondContact O-N 3.08Å; T133-A136 PolarHBondContact O-N 2.9Å; R134-A136 VanDerWaalsContact C-N 3.34Å
137E97.7Very high94.7Very high137 Ų13779.2 Ų79.264%0.6443%0.43SS*.Hα-helixtrans-81.1-35-177-69.3172.1174.600113.8T133 R134T133-E137 HydrophobicContact CG2-CG 4.44Å; T133-E137 WeakPolarHBondContact CG2-OE1 3.41Å; T133-E137 WeakPolarHBondContact O-CG 3.4Å; T133-E137 PolarHBondContact O-N 2.84Å; R134-E137 PolarHBondContact O-N 3.17Å
138Q96.7Very high94.8Very high113 Ų11383.2 Ų83.253%0.52845%0.45SS..Hα-helixtrans-126.5-3.5-165.9-57.7171.842.400113.3R134 I142R134-Q138 WeakPolarHBondContact O-CA 3.25Å; R134-Q138 WeakPolarHBondContact O-CB 3.46Å; R134-Q138 PolarHBondContact O-N 3.35Å; Q138-I142 HydrophobicContact CB-CB 4.41Å; Q138-I142 HydrophobicContact CB-CG2 4.4Å
139G95Very high94.7Very high23 Ų2383.8 Ų83.824%0.23746%0.455CS..  trans79.4178.7179.300000114.6L135 K141 I142L135-G139 WeakPolarHBondContact O-CA 3.32Å; L135-G139 PolarHBondContact O-N 2.99Å; G139-K141 VanDerWaalsContact C-N 3.34Å; G139-K141 PolarHBondContact O-N 2.98Å; G139-I142 VanDerWaalsContact O-CG2 3.25Å; G139-I142 WeakPolarHBondContact O-CG2 3.49Å; G139-I142 PolarHBondContact O-N 3.44Å
140P94.9Very high94.5Very high100 Ų10082.8 Ų82.865%0.64945%0.447SS*.G310 helixtrans-69.9-22.2-164.225.4-35.3000115.6L135 I142 V143L135-P140 VanDerWaalsContact CD1-CA 3.47Å; L135-P140 HydrophobicContact CD1-CB 3.97Å; P140-I142 PolarHBondContact O-N 3.17Å; P140-I142 VanDerWaalsContact O-N 3.12Å; P140-V143 WeakPolarHBondContact O-CB 2.8Å; P140-V143 PolarHBondContact O-N 3.29Å
141K94.6Very high94.5Very high210 Ų21078 Ų7891%0.91343%0.427SS*.G310 helixtrans-65-16.6-178.4-67.5-175.4179.3179.50113.6G139 V143G139-K141 VanDerWaalsContact C-N 3.34Å; G139-K141 PolarHBondContact O-N 2.98Å; K141-V143 VanDerWaalsContact C-N 3.35Å
142I92.8Very high94.5Very high54 Ų5480.2 Ų80.228%0.27744%0.438SS..G310 helixtrans-83.2-13.5-179.9-15461.5000113.2R134 Q138 G139 P140 S144R134-I142 HydrophobicContact CB-CG2 3.82Å; Q138-I142 HydrophobicContact CB-CB 4.41Å; Q138-I142 HydrophobicContact CB-CG2 4.4Å; G139-I142 VanDerWaalsContact O-CG2 3.25Å; G139-I142 WeakPolarHBondContact O-CG2 3.49Å; G139-I142 PolarHBondContact O-N 3.44Å; P140-I142 PolarHBondContact O-N 3.17Å; P140-I142 VanDerWaalsContact O-N 3.12Å; I142-S144 PolarHBondContact O-N 3.37Å
143V94Very high94.4Very high48 Ų4881.2 Ų81.229%0.29144%0.438SS..SBendtrans-72.8124.1-177.6-179.80000109.4T131 L135 P140 K141 F147T131-V143 HydrophobicContact CG2-CB 4.5Å; T131-V143 HydrophobicContact CG2-CG1 4.04Å; T131-V143 HydrophobicContact CG2-CG2 4.12Å; L135-V143 HydrophobicContact CB-CG2 4.34Å; L135-V143 HydrophobicContact CD1-CG2 4.07Å; P140-V143 WeakPolarHBondContact O-CB 2.8Å; P140-V143 PolarHBondContact O-N 3.29Å; K141-V143 VanDerWaalsContact C-N 3.35Å; V143-F147 HydrophobicContact CG1-CB 3.83Å; V143-F147 HydrophobicContact CG1-CD1 4.07Å; V143-F147 HydrophobicContact CG1-CG 4.07Å
144S92.8Very high94.4Very high49 Ų4981.8 Ų81.834%0.34344%0.438SS..  trans-62.7141.5178.5175.10000111.4I142 Y146 F147I142-S144 PolarHBondContact O-N 3.37Å; S144-Y146 PolarHBondContact O-N 3.32Å; S144-Y146 VanDerWaalsContact O-N 3.12Å; S144-Y146 PolarHBondContact OG-N 2.88Å; S144-Y146 VanDerWaalsContact OG-N 3.15Å; S144-F147 VanDerWaalsContact O-CB 3.23Å; S144-F147 WeakPolarHBondContact O-CB 3.41Å; S144-F147 PolarHBondContact O-N 3.07Å
145P93.3Very high94.3Very high116 Ų11677.5 Ų77.575%0.75342%0.423SS*.THydrogen-bonded Turntrans-61.6-18.7171.427.1-35.2000112.8
146Y92.5Very high94.3Very high90 Ų9073.9 Ų73.935%0.35340%0.404SS..THydrogen-bonded Turntrans-87.5-2.5175.6-59.5-73.6000113.8R81 Q82 S144 I148 P149 R150R81-Y146 HydrophobicContact CB-CD2 4.25Å; R81-Y146 HydrophobicContact CB-CE2 4.47Å; R81-Y146 VanDerWaalsContact O-CB 3.3Å; R81-Y146 WeakPolarHBondContact O-CB 3.49Å; Q82-Y146 HydrophobicContact CG-CD1 3.7Å; Q82-Y146 HydrophobicContact CG-CE1 3.63Å; Q82-Y146 HydrophobicContact CG-CG 4.24Å; S144-Y146 PolarHBondContact O-N 3.32Å; S144-Y146 VanDerWaalsContact O-N 3.12Å; S144-Y146 PolarHBondContact OG-N 2.88Å; S144-Y146 VanDerWaalsContact OG-N 3.15Å; Y146-I148 PolarHBondContact O-N 3.44Å; Y146-P149 WeakPolarHBondContact O-CD 3.49Å; Y146-R150 WeakPolarHBondContact O-CB 3.33Å; Y146-R150 VanDerWaalsContact O-CG 3.23Å; Y146-R150 WeakPolarHBondContact O-CG 3.2Å; Y146-R150 PolarHBondContact O-N 2.85Å
147F93.6Very high94.4Very high35 Ų3569.6 Ų69.615%0.15437%0.369CS..Hα-helixtrans-57.8-52.6-175.7172.3-110.7000112.4T131 V143 S144 R150 I151T131-F147 HydrophobicContact CG2-CD1 4.46Å; T131-F147 HydrophobicContact CG2-CD2 3.6Å; T131-F147 HydrophobicContact CG2-CE2 3.74Å; T131-F147 HydrophobicContact CG2-CG 3.98Å; T131-F147 HydrophobicContact CG2-CZ 4.23Å; T131-F147 WeakPolarHBondContact OG1-CD2 3.16Å; V143-F147 HydrophobicContact CG1-CB 3.83Å; V143-F147 HydrophobicContact CG1-CD1 4.07Å; V143-F147 HydrophobicContact CG1-CG 4.07Å; S144-F147 VanDerWaalsContact O-CB 3.23Å; S144-F147 WeakPolarHBondContact O-CB 3.41Å; S144-F147 PolarHBondContact O-N 3.07Å; F147-R150 PolarHBondContact O-N 2.92Å; F147-I151 HydrophobicContact CD2-CG2 4.32Å; F147-I151 HydrophobicContact CE1-CD1 3.89Å; F147-I151 HydrophobicContact CE2-CD1 4.48Å; F147-I151 HydrophobicContact CE2-CG2 3.87Å; F147-I151 HydrophobicContact CZ-CD1 3.83Å; F147-I151 HydrophobicContact CZ-CG2 4.27Å; F147-I151 PolarHBondContact O-N 3.37Å
148I93.4Very high94.3Very high103 Ų10364 Ų6453%0.52835%0.348SS..Hα-helixtrans-60.7-52.2-179.4-60.3-61.3000110.9Y146 R150 I151 L152Y146-I148 PolarHBondContact O-N 3.44Å; I148-R150 PolarHBondContact O-N 3.16Å; I148-R150 VanDerWaalsContact O-N 3.17Å; I148-I151 HydrophobicContact CD1-CD1 4.37Å; I148-I151 VanDerWaalsContact O-CG1 3.3Å; I148-I151 WeakPolarHBondContact O-CG1 3.44Å; I148-I151 PolarHBondContact O-N 3.35Å; I148-I151 VanDerWaalsContact O-N 3.14Å; I148-L152 WeakPolarHBondContact O-CG 3.4Å; I148-L152 PolarHBondContact O-N 3Å
149P92.2Very high94.3Very high62 Ų6260.2 Ų60.240%0.40333%0.33SS..Hα-helixtrans-50.9-38.4173.8-30.134.5000114.9Y146 I151 L152Y146-P149 WeakPolarHBondContact O-CD 3.49Å; P149-I151 VanDerWaalsContact C-N 3.33Å; P149-I151 PolarHBondContact O-N 3.15Å; P149-L152 PolarHBondContact O-N 3.45Å
150R91.5Very high94.5Very high45 Ų4559.1 Ų59.117%0.1732%0.319CS..Hα-helixtrans-69.5-26-178-76.5172.774122.95.7115W80 R81 M83 D127 Y146 F147 I148 M155W80-R150 PolarHBondContact O-NH1 2.94Å; R81-R150 WeakPolarHBondContact O-CD 3.48Å; R81-R150 PolarHBondContact O-NH1 3.44Å; R81-R150 VanDerWaalsContact O-NH1 3.15Å; M83-R150 PolarHBondContact O-NH1 2.8Å; M83-R150 PolarHBondContact O-NH2 3.43Å; D127-R150 IonicContact OD1-NH2 3.52Å; D127-R150 PolarHBondContact OD1-NH2 2.94Å; D127-R150 IonicContact OD2-CZ 3.53Å; D127-R150 VanDerWaalsContact OD2-CZ 3.25Å; D127-R150 IonicContact OD2-NE 3.1Å; D127-R150 PolarHBondContact OD2-NE 3.29Å; D127-R150 IonicContact OD2-NH2 3.77Å; D127-R150 PolarHBondContact OD2-NH2 3.38Å; Y146-R150 WeakPolarHBondContact O-CB 3.33Å; Y146-R150 VanDerWaalsContact O-CG 3.23Å; Y146-R150 WeakPolarHBondContact O-CG 3.2Å; Y146-R150 PolarHBondContact O-N 2.85Å; F147-R150 PolarHBondContact O-N 2.92Å; I148-R150 PolarHBondContact O-N 3.16Å; I148-R150 VanDerWaalsContact O-N 3.17Å; R150-M155 VanDerWaalsContact CA-SD 3.55Å; R150-M155 HydrophobicContact CB-SD 4.39Å; R150-M155 WeakPolarHBondContact O-CE 3.43Å; R150-M155 VanDerWaalsContact O-SD 3.36Å
151I92.5Very high94.6Very high37 Ų3754.6 Ų54.619%0.1929%0.29CS..Hα-helixtrans-100.5-0.7-17865.9163.5000112.4I123 V128 F147 I148 P149I123-I151 HydrophobicContact CD1-CB 4.42Å; I123-I151 VanDerWaalsContact CG2-O 3.27Å; I123-I151 WeakPolarHBondContact CG2-O 3.28Å; V128-I151 HydrophobicContact CG2-CG2 3.83Å; F147-I151 HydrophobicContact CD2-CG2 4.32Å; F147-I151 HydrophobicContact CE1-CD1 3.89Å; F147-I151 HydrophobicContact CE2-CD1 4.48Å; F147-I151 HydrophobicContact CE2-CG2 3.87Å; F147-I151 HydrophobicContact CZ-CD1 3.83Å; F147-I151 HydrophobicContact CZ-CG2 4.27Å; F147-I151 PolarHBondContact O-N 3.37Å; I148-I151 HydrophobicContact CD1-CD1 4.37Å; I148-I151 VanDerWaalsContact O-CG1 3.3Å; I148-I151 WeakPolarHBondContact O-CG1 3.44Å; I148-I151 PolarHBondContact O-N 3.35Å; I148-I151 VanDerWaalsContact O-N 3.14Å; P149-I151 VanDerWaalsContact C-N 3.33Å; P149-I151 PolarHBondContact O-N 3.15Å
152L94.8Very high94.7Very high79 Ų7951.5 Ų51.541%0.41428%0.282SS..  trans-70.4131.8174.1-70.9177000110.1I148 P149 N154 M155I148-L152 WeakPolarHBondContact O-CG 3.4Å; I148-L152 PolarHBondContact O-N 3Å; P149-L152 PolarHBondContact O-N 3.45Å; L152-N154 WeakPolarHBondContact CB-OD1 3.39Å; L152-N154 PolarHBondContact O-N 2.88Å; L152-M155 WeakPolarHBondContact O-CB 3.32Å; L152-M155 PolarHBondContact O-N 2.85Å
153P94.2Very high94.9Very high56 Ų5653.7 Ų53.736%0.36429%0.287SS..THydrogen-bonded Turntrans-56.2-37.5178-27.435.1000113.5T120 I123 M155 C172T120-P153 HydrophobicContact CG2-CB 4.39Å; I123-P153 HydrophobicContact CG2-CG 4.16Å; P153-M155 VanDerWaalsContact C-N 3.26Å; P153-M155 PolarHBondContact O-N 2.89Å; P153-C172 VanDerWaalsContact C-SG 3.51Å; P153-C172 PolarHBondContact O-SG 3Å
154N95.7Very high95.1Very high78 Ų7854.3 Ų54.342%0.41728%0.284SS..THydrogen-bonded Turntrans-82.55.5-178.973.2-37.6000114.6L152 I156 A157 G158 C172L152-N154 WeakPolarHBondContact CB-OD1 3.39Å; L152-N154 PolarHBondContact O-N 2.88Å; N154-I156 PolarHBondContact O-N 3.44Å; N154-A157 PolarHBondContact O-N 3.07Å; N154-G158 PolarHBondContact O-N 3.02Å; N154-C172 HydrophobicContact CB-CB 3.47Å; N154-C172 VanDerWaalsContact CB-CB 3.47Å
155M94.5Very high95.3Very high26 Ų2653.6 Ų53.613%0.12828%0.284CS..Hα-helixtrans-50.8-44.6178.1170.7-168.335.200111.8S84 T87 R150 L152 P153 G158 H159S84-M155 WeakPolarHBondContact OG-CE 3.21Å; T87-M155 WeakPolarHBondContact OG1-CE 3.29Å; T87-M155 PolarHBondContact OG1-SD 2.92Å; R150-M155 VanDerWaalsContact CA-SD 3.55Å; R150-M155 HydrophobicContact CB-SD 4.39Å; R150-M155 WeakPolarHBondContact O-CE 3.43Å; R150-M155 VanDerWaalsContact O-SD 3.36Å; L152-M155 WeakPolarHBondContact O-CB 3.32Å; L152-M155 PolarHBondContact O-N 2.85Å; P153-M155 VanDerWaalsContact C-N 3.26Å; P153-M155 PolarHBondContact O-N 2.89Å; M155-G158 PolarHBondContact O-N 2.77Å; M155-H159 VanDerWaalsContact O-CB 3.3Å; M155-H159 WeakPolarHBondContact O-CB 3.45Å; M155-H159 PolarHBondContact O-N 2.85Å
156I97.2Very high95.6Very high1 Ų148.8 Ų48.81%0.00525%0.252CS..Hα-helixtrans-65.7-49-173.6-52.1-178.1000110.8A86 A90 I118 N154 G158 H159 L160 A204A86-I156 HydrophobicContact CB-CD1 4.31Å; A90-I156 HydrophobicContact CB-CG2 3.24Å; I118-I156 HydrophobicContact CB-CG2 4.21Å; I118-I156 HydrophobicContact CG2-CB 3.93Å; I118-I156 HydrophobicContact CG2-CG2 3.38Å; N154-I156 PolarHBondContact O-N 3.44Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.13Å; I156-H159 PolarHBondContact O-N 3.11Å; I156-L160 HydrophobicContact CG2-CD1 4.13Å; I156-L160 WeakPolarHBondContact O-CG 3.23Å; I156-L160 PolarHBondContact O-N 3.18Å; I156-A204 HydrophobicContact CD1-CB 4.02Å
157A97.9Very high95.8Very high0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-60.5-44.5177.200000111.5V116 I118 N154 H159 L160 A161 N170 H171V116-A157 HydrophobicContact CG1-CB 3.98Å; I118-A157 HydrophobicContact CB-CB 4.26Å; N154-A157 PolarHBondContact O-N 3.07Å; A157-H159 PolarHBondContact O-N 2.88Å; A157-L160 PolarHBondContact O-N 3.48Å; A157-A161 WeakPolarHBondContact O-CB 3.36Å; A157-A161 PolarHBondContact O-N 3.02Å; A157-N170 WeakPolarHBondContact CB-OD1 3.34Å; A157-H171 WeakPolarHBondContact CB-O 3.37Å
158G97Very high96.1Very high18 Ų1849.1 Ų49.119%0.18626%0.261CS..Hα-helixtrans-58.6-46.5174.500000113.2N154 M155 I156 A161 I162N154-G158 PolarHBondContact O-N 3.02Å; M155-G158 PolarHBondContact O-N 2.77Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.13Å; G158-A161 PolarHBondContact O-N 3.21Å; G158-I162 WeakPolarHBondContact O-CG1 3.35Å; G158-I162 PolarHBondContact O-N 3.45Å
159H96.4Very high96.3Very high34 Ų3445.7 Ų45.716%0.15725%0.246CC..Hα-helixtrans-65.1-41.9-178.2-164.4-81.8000112M83 T87 M155 I156 A157 R163M83-H159 WeakPolarHBondContact CG-NE2 3.41Å; M83-H159 PolarHBondContact SD-CE1 3.22Å; T87-H159 HydrophobicContact CG2-CB 4.03Å; M155-H159 VanDerWaalsContact O-CB 3.3Å; M155-H159 WeakPolarHBondContact O-CB 3.45Å; M155-H159 PolarHBondContact O-N 2.85Å; I156-H159 PolarHBondContact O-N 3.11Å; A157-H159 PolarHBondContact O-N 2.88Å; H159-R163 VanDerWaalsContact O-CB 3.26Å; H159-R163 WeakPolarHBondContact O-CB 3.26Å; H159-R163 PolarHBondContact O-N 3.06Å
160L97.8Very high96.6Very high0 Ų046.7 Ų46.70%025%0.247CC..Hα-helixtrans-67.6-40.6176-69.6170.9000112V91 A94 V116 I118 I156 A157 I162 R163 Y164V91-L160 HydrophobicContact CG2-CD2 4Å; A94-L160 HydrophobicContact CB-CD1 4.13Å; A94-L160 HydrophobicContact CB-CD2 3.6Å; V116-L160 HydrophobicContact CG1-CB 4.16Å; I118-L160 HydrophobicContact CB-CD1 4.48Å; I118-L160 HydrophobicContact CD1-CD1 4.33Å; I118-L160 HydrophobicContact CG1-CD1 3.76Å; I156-L160 HydrophobicContact CG2-CD1 4.13Å; I156-L160 WeakPolarHBondContact O-CG 3.23Å; I156-L160 PolarHBondContact O-N 3.18Å; A157-L160 PolarHBondContact O-N 3.48Å; L160-I162 PolarHBondContact O-N 3.06Å; L160-R163 PolarHBondContact O-N 2.86Å; L160-Y164 HydrophobicContact CD2-CD2 4.43Å; L160-Y164 HydrophobicContact CD2-CE2 3.87Å; L160-Y164 WeakPolarHBondContact O-CD2 3.35Å; L160-Y164 PolarHBondContact O-N 2.79Å; L160-Y164 VanDerWaalsContact O-N 3.07Å
161A98.1Very high96.9Very high6 Ų647.5 Ų47.55%0.0525%0.253CS..Hα-helixtrans-60.8-45.1176.600000111.7V116 A157 G158 G165 I166 N170V116-A161 HydrophobicContact CG2-CB 4.07Å; A157-A161 WeakPolarHBondContact O-CB 3.36Å; A157-A161 PolarHBondContact O-N 3.02Å; G158-A161 PolarHBondContact O-N 3.21Å; A161-G165 CarbonylContact O-C 3.53Å; A161-G165 WeakPolarHBondContact O-CA 3.38Å; A161-G165 PolarHBondContact O-N 2.72Å; A161-I166 HydrophobicContact CB-CB 4.31Å; A161-I166 PolarHBondContact O-N 2.86Å; A161-N170 VanDerWaalsContact CB-ND2 3.31Å; A161-N170 WeakPolarHBondContact CB-ND2 3.14Å
162I97.1Very high97.2Very high145 Ų14547.1 Ų47.174%0.74425%0.253SS*.Hα-helixtrans-64.1-47.6175.9-67.7167.4000110.8G158 L160 Y164 G165G158-I162 WeakPolarHBondContact O-CG1 3.35Å; G158-I162 PolarHBondContact O-N 3.45Å; L160-I162 PolarHBondContact O-N 3.06Å; I162-Y164 VanDerWaalsContact C-N 3.27Å; I162-Y164 PolarHBondContact O-N 2.81Å; I162-G165 PolarHBondContact O-N 3.05Å
163R96.5Very high97.3Very high100 Ų10044.4 Ų44.438%0.37724%0.24SC..Hα-helixtrans-59.8-36.6-175.7-173.3173.3-174.8102-3.3112.8E79 H159 L160E79-R163 IonicContact OE1-NH1 3Å; E79-R163 PolarHBondContact OE1-NH1 3.31Å; H159-R163 VanDerWaalsContact O-CB 3.26Å; H159-R163 WeakPolarHBondContact O-CB 3.26Å; H159-R163 PolarHBondContact O-N 3.06Å; L160-R163 PolarHBondContact O-N 2.86Å
164Y97.3Very high97.5Very high61 Ų6144.9 Ų44.924%0.23925%0.245CC..Hα-helixtrans-106.87.1-177.9-60.5-67.7000113.8L98 L160 I162 I166L98-Y164 HydrophobicContact CD1-CD1 3.9Å; L98-Y164 HydrophobicContact CD1-CD2 3.75Å; L98-Y164 HydrophobicContact CD1-CE1 3.68Å; L98-Y164 HydrophobicContact CD1-CE2 3.51Å; L98-Y164 HydrophobicContact CD1-CG 3.94Å; L98-Y164 VanDerWaalsContact CD1-CZ 3.47Å; L160-Y164 HydrophobicContact CD2-CD2 4.43Å; L160-Y164 HydrophobicContact CD2-CE2 3.87Å; L160-Y164 WeakPolarHBondContact O-CD2 3.35Å; L160-Y164 PolarHBondContact O-N 2.79Å; L160-Y164 VanDerWaalsContact O-N 3.07Å; I162-Y164 VanDerWaalsContact C-N 3.27Å; I162-Y164 PolarHBondContact O-N 2.81Å; Y164-I166 VanDerWaalsContact C-N 3.26Å; Y164-I166 WeakPolarHBondContact O-CD1 3.45Å; Y164-I166 PolarHBondContact O-N 2.87Å
165G97.8Very high97.5Very high33 Ų3342.9 Ų42.934%0.3424%0.235SC..THydrogen-bonded Turntrans66.622.4178.500000114.8L111 A161 I162L111-G165 WeakPolarHBondContact CD2-O 3.45Å; A161-G165 CarbonylContact O-C 3.53Å; A161-G165 WeakPolarHBondContact O-CA 3.38Å; A161-G165 PolarHBondContact O-N 2.72Å; I162-G165 PolarHBondContact O-N 3.05Å
166I98.5Very high97.6Very high16 Ų1643 Ų438%0.08224%0.24CC..  trans-72131.8-173.5-51.1-54.4000110.5P105 L111 T114 V116 A161 Y164 I200P105-I166 HydrophobicContact CG-CD1 3.68Å; L111-I166 HydrophobicContact CD2-CD1 4.4Å; T114-I166 VanDerWaalsContact C-CG2 3.42Å; T114-I166 HydrophobicContact CG2-CD1 3.72Å; T114-I166 HydrophobicContact CG2-CG1 4.44Å; T114-I166 HydrophobicContact CG2-CG2 4Å; T114-I166 WeakPolarHBondContact O-CG2 3.42Å; V116-I166 HydrophobicContact CG2-CB 4.07Å; V116-I166 HydrophobicContact CG2-CG1 4.15Å; V116-I166 HydrophobicContact CG2-CG2 3.89Å; A161-I166 HydrophobicContact CB-CB 4.31Å; A161-I166 PolarHBondContact O-N 2.86Å; Y164-I166 VanDerWaalsContact C-N 3.26Å; Y164-I166 WeakPolarHBondContact O-CD1 3.45Å; Y164-I166 PolarHBondContact O-N 2.87Å; I166-I200 HydrophobicContact CD1-CD1 4.4Å; I166-I200 HydrophobicContact CG1-CD1 4.22Å
167K98.3Very high97.6Very high112 Ų11243.3 Ų43.349%0.48724%0.243SC..  trans-121.6-6.8-174-62.1-177.4-175.2176.60114.5D108 L111D108-K167 IonicContact OD1-NZ 2.78Å; D108-K167 PolarHBondContact OD1-NZ 3.08Å; L111-K167 HydrophobicContact CB-CD 4.44Å; L111-K167 HydrophobicContact CB-CG 4.37Å; L111-K167 PolarHBondContact O-N 2.81Å
168G98.5Very high97.6Very high20 Ų2043.3 Ų43.321%0.20624%0.243CC..SBendtrans-72.8-158.5171.400000112.4L111 H112 T114 N170L111-G168 PolarHBondContact O-N 3.25Å; H112-G168 VanDerWaalsContact O-CA 3.23Å; H112-G168 WeakPolarHBondContact O-CA 3.21Å; T114-G168 WeakPolarHBondContact O-CA 3.14Å; T114-G168 PolarHBondContact O-N 3.47Å; G168-N170 PolarHBondContact O-N 3.33Å
169P98.4Very high97.7Very high31 Ų3142.4 Ų42.420%0.20123%0.234CC..  trans-52.1129.6-178.1-26.634.4000112.1G115 V116 M190 L195 A196 M199G115-P169 CarbonylContact C-O 3.6Å; G115-P169 WeakPolarHBondContact CA-O 3.27Å; V116-P169 PolarHBondContact N-O 3.19Å; P169-M190 HydrophobicContact CB-SD 3.63Å; P169-M190 HydrophobicContact CG-SD 4.21Å; P169-L195 WeakPolarHBondContact CD-O 3.47Å; P169-L195 HydrophobicContact CG-CB 3.96Å; P169-A196 HydrophobicContact CG-CB 4.42Å; P169-M199 HydrophobicContact CB-CE 4.3Å; P169-M199 HydrophobicContact CG-SD 4.43Å
170N98.3Very high97.8Very high82 Ų8240.8 Ų40.844%0.43923%0.226SC..EExtended strand (participates in β ladder)trans-119.7102.9173-173.3-23000108.2V116 A157 A161 G168V116-N170 WeakPolarHBondContact O-CA 3.33Å; A157-N170 WeakPolarHBondContact CB-OD1 3.34Å; A161-N170 VanDerWaalsContact CB-ND2 3.31Å; A161-N170 WeakPolarHBondContact CB-ND2 3.14Å; G168-N170 PolarHBondContact O-N 3.33Å
171H98.2Very high97.9Very high62 Ų6240.8 Ų40.829%0.28723%0.226SC..EExtended strand (participates in β ladder)trans-130.7149.1-166.9-176.259.2000111.6V116 S117 I118 A157 D186 M190V116-H171 PolarHBondContact O-N 3.29Å; S117-H171 WeakPolarHBondContact CA-O 3.33Å; I118-H171 PolarHBondContact N-O 2.87Å; A157-H171 WeakPolarHBondContact CB-O 3.37Å; H171-D186 IonicContact CD2-OD2 3.8Å; H171-D186 IonicContact NE2-OD2 3.31Å; H171-D186 PolarHBondContact NE2-OD2 2.81Å; H171-M190 HydrophobicContact CB-CE 3.74Å
172C98.1Very high97.9Very high29 Ų2941.2 Ų41.220%0.19623%0.227CC..  trans-144.6118.8174.6172.90000109.2P153 N154P153-C172 VanDerWaalsContact C-SG 3.51Å; P153-C172 PolarHBondContact O-SG 3Å; N154-C172 HydrophobicContact CB-CB 3.47Å; N154-C172 VanDerWaalsContact CB-CB 3.47Å
173V97.8Very high98Very high22 Ų2234.3 Ų34.313%0.13319%0.192CC..  trans-100.4148.8170.366.10000109.9G119 T175 T179 H182G119-V173 WeakPolarHBondContact CA-O 3.31Å; V173-T175 HydrophobicContact CG2-CG2 3.95Å; V173-T179 WeakPolarHBondContact O-CG2 3.37Å; V173-H182 HydrophobicContact CG1-CB 3.84Å; V173-H182 HydrophobicContact CG2-CB 4.03Å
174S97Very high98.1Very high67 Ų6729.6 Ų29.647%0.46917%0.174SC..  trans-140.9106.3173.6166.40000108.8T120T120-S174 WeakPolarHBondContact O-CB 3.45Å; T120-S174 PolarHBondContact O-OG 3.33Å
175T97.2Very high98.2Very high35 Ų3526.7 Ų26.722%0.21516%0.162CC..  trans-133.646.2179.458.50000110.6V173 C177 T178 T179 H182V173-T175 HydrophobicContact CG2-CG2 3.95Å; T175-C177 PolarHBondContact O-N 3.48Å; T175-T178 WeakPolarHBondContact CB-OG1 3.32Å; T175-T178 PolarHBondContact O-N 3.3Å; T175-T178 PolarHBondContact O-OG1 2.92Å; T175-T178 WeakPolarHBondContact OG1-CB 3.27Å; T175-T178 PolarHBondContact OG1-OG1 3.2Å; T175-T179 PolarHBondContact N-OG1 3.48Å; T175-T179 PolarHBondContact OG1-N 2.84Å; T175-H182 VanDerWaalsContact CG2-ND1 3.32Å; T175-H182 WeakPolarHBondContact CG2-ND1 3.14Å; T175-H182 PolarHBondContact OG1-ND1 2.91Å
176A96.2Very high98.2Very high28 Ų2826.4 Ų26.423%0.23115%0.153CC..G310 helixtrans52.8-126.5-175.900000111.2T178 T179 G363 F426A176-T178 VanDerWaalsContact C-N 3.25Å; A176-T178 PolarHBondContact O-N 3.34Å; A176-T179 PolarHBondContact N-OG1 3.36Å; A176-T179 VanDerWaalsContact O-CB 3.27Å; A176-T179 WeakPolarHBondContact O-CB 3.39Å; A176-T179 PolarHBondContact O-N 3.37Å; A176-T179 VanDerWaalsContact O-N 3.16Å; A176-T179 PolarHBondContact O-OG1 2.88Å; A176-G363 WeakPolarHBondContact O-CA 3.48Å; A176-F426 HydrophobicContact CB-CB 4.19Å
177C97.6Very high98.2Very high8 Ų825.6 Ų25.65%0.05415%0.149CC..G310 helixtrans-71.2-13.4-174.3-45.60000114.7T175 H360 F424T175-C177 PolarHBondContact O-N 3.48Å; C177-H360 PolarHBondContact SG-NE2 3.12Å; C177-F424 WeakPolarHBondContact CB-O 3.15Å
178T98.1Very high98.2Very high0 Ų020.4 Ų20.40%013%0.126CC..G310 helixtrans-83.4-11.517229.40000114.4T175 A176 G180 L181 H182 S423 A429 A431T175-T178 WeakPolarHBondContact CB-OG1 3.32Å; T175-T178 PolarHBondContact O-N 3.3Å; T175-T178 PolarHBondContact O-OG1 2.92Å; T175-T178 WeakPolarHBondContact OG1-CB 3.27Å; T175-T178 PolarHBondContact OG1-OG1 3.2Å; A176-T178 VanDerWaalsContact C-N 3.25Å; A176-T178 PolarHBondContact O-N 3.34Å; T178-G180 PolarHBondContact O-N 2.65Å; T178-L181 PolarHBondContact O-N 3.37Å; T178-H182 PolarHBondContact O-N 2.84Å; T178-S423 WeakPolarHBondContact CG2-O 3.14Å; T178-A429 WeakPolarHBondContact CG2-O 3.15Å; T178-A429 WeakPolarHBondContact OG1-CB 3.33Å; T178-A429 PolarHBondContact OG1-O 3.45Å; T178-A431 HydrophobicContact CG2-CB 4.05Å
179T98.6Very high98.2Very high0 Ų021.3 Ų21.30%013%0.126CC..Hα-helixtrans-46.4-54.3-170.2-63.30000113.6V173 T175 A176 L181 H182 S183V173-T179 WeakPolarHBondContact O-CG2 3.37Å; T175-T179 PolarHBondContact N-OG1 3.48Å; T175-T179 PolarHBondContact OG1-N 2.84Å; A176-T179 PolarHBondContact N-OG1 3.36Å; A176-T179 VanDerWaalsContact O-CB 3.27Å; A176-T179 WeakPolarHBondContact O-CB 3.39Å; A176-T179 PolarHBondContact O-N 3.37Å; A176-T179 VanDerWaalsContact O-N 3.16Å; A176-T179 PolarHBondContact O-OG1 2.88Å; T179-L181 VanDerWaalsContact C-N 3.29Å; T179-L181 PolarHBondContact O-N 3.31Å; T179-H182 PolarHBondContact O-N 3.3Å; T179-S183 WeakPolarHBondContact O-CB 3.43Å; T179-S183 PolarHBondContact O-N 2.77Å
180G98.6Very high98.2Very high0 Ų021.2 Ų21.20%012%0.123CC..Hα-helixtrans-61.5-35.4-178.600000114.3T178 I184 S203 G363T178-G180 PolarHBondContact O-N 2.65Å; G180-I184 WeakPolarHBondContact O-CD1 3.07Å; G180-I184 VanDerWaalsContact O-CG1 3.28Å; G180-I184 WeakPolarHBondContact O-CG1 3.39Å; G180-I184 PolarHBondContact O-N 3.43Å; G180-S203 WeakPolarHBondContact CA-OG 3.4Å; G180-S203 PolarHBondContact N-OG 2.94Å; G180-G363 PolarHBondContact N-O 2.79Å
181L98.7Very high98.2Very high0 Ų017.4 Ų17.40%010%0.103CC..Hα-helixtrans-76.6-40.2-179.8-158.269.1000111.4T178 T179 S183 I184 G185 T370 K421 A431 L433T178-L181 PolarHBondContact O-N 3.37Å; T179-L181 VanDerWaalsContact C-N 3.29Å; T179-L181 PolarHBondContact O-N 3.31Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.1Å; L181-I184 PolarHBondContact O-N 3.25Å; L181-G185 PolarHBondContact O-N 2.95Å; L181-T370 WeakPolarHBondContact CD1-OG1 3.39Å; L181-K421 HydrophobicContact CD1-CB 4.39Å; L181-K421 HydrophobicContact CD1-CD 3.68Å; L181-K421 HydrophobicContact CD1-CG 4.1Å; L181-K421 HydrophobicContact CD2-CD 4Å; L181-K421 WeakPolarHBondContact CD2-O 3.26Å; L181-K421 HydrophobicContact CG-CD 4.49Å; L181-A431 HydrophobicContact CB-CB 4.23Å; L181-A431 VanDerWaalsContact CD2-C 3.49Å; L181-A431 HydrophobicContact CD2-CB 3.67Å; L181-A431 WeakPolarHBondContact CD2-O 3.46Å; L181-A431 HydrophobicContact CG-CB 4.14Å; L181-L433 HydrophobicContact CD1-CB 4.22Å; L181-L433 HydrophobicContact CD1-CD1 3.42Å; L181-L433 VanDerWaalsContact CD1-CD1 3.42Å; L181-L433 HydrophobicContact CD1-CG 3.73Å; L181-L433 HydrophobicContact CG-CD1 4.13Å; L181-L433 HydrophobicContact CG-CG 4.04Å
182H98.7Very high98.2Very high15 Ų1516.8 Ų16.87%0.06910%0.1CC..Hα-helixtrans-60.1-41.5170.3-78.9175.5000111.8V173 T175 T178 T179 I184 G185 D186 Y275 A431V173-H182 HydrophobicContact CG1-CB 3.84Å; V173-H182 HydrophobicContact CG2-CB 4.03Å; T175-H182 VanDerWaalsContact CG2-ND1 3.32Å; T175-H182 WeakPolarHBondContact CG2-ND1 3.14Å; T175-H182 PolarHBondContact OG1-ND1 2.91Å; T178-H182 PolarHBondContact O-N 2.84Å; T179-H182 PolarHBondContact O-N 3.3Å; H182-I184 VanDerWaalsContact C-N 3.26Å; H182-I184 PolarHBondContact O-N 3.31Å; H182-G185 PolarHBondContact O-N 3.44Å; H182-D186 VanDerWaalsContact O-CB 3.32Å; H182-D186 WeakPolarHBondContact O-CB 3.39Å; H182-D186 VanDerWaalsContact O-CG 3.23Å; H182-D186 PolarHBondContact O-N 3.42Å; H182-Y275 PolarHBondContact CD2-OH 2.79Å; H182-A431 VanDerWaalsContact CD2-CB 3.43Å; H182-A431 WeakPolarHBondContact CD2-CB 3.31Å
183S98.8Very high98.1Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-61-38.2-179.5-144.50000112.2S117 G119 T179 L181 A187 G202S117-S183 PolarHBondContact O-OG 2.82Å; S117-S183 PolarHBondContact OG-O 3.38Å; S117-S183 PolarHBondContact OG-OG 2.95Å; S117-S183 VanDerWaalsContact OG-OG 3.14Å; G119-S183 PolarHBondContact N-OG 2.79Å; T179-S183 WeakPolarHBondContact O-CB 3.43Å; T179-S183 PolarHBondContact O-N 2.77Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.1Å; S183-A187 WeakPolarHBondContact O-CB 3.27Å; S183-A187 PolarHBondContact O-N 2.74Å; S183-A187 VanDerWaalsContact O-N 3.14Å; S183-G202 WeakPolarHBondContact CB-O 3.38Å; S183-G202 PolarHBondContact OG-O 2.81Å; S183-G202 VanDerWaalsContact OG-O 3.06Å
184I98.9Very high98Very high0 Ų023.6 Ų23.60%014%0.137CC..Hα-helixtrans-73-44.8175.6-63.5165.6000110.7G180 L181 H182 D186 A187 F188 L253 L255 T370 L433G180-I184 WeakPolarHBondContact O-CD1 3.07Å; G180-I184 VanDerWaalsContact O-CG1 3.28Å; G180-I184 WeakPolarHBondContact O-CG1 3.39Å; G180-I184 PolarHBondContact O-N 3.43Å; L181-I184 PolarHBondContact O-N 3.25Å; H182-I184 VanDerWaalsContact C-N 3.26Å; H182-I184 PolarHBondContact O-N 3.31Å; I184-D186 VanDerWaalsContact C-N 3.33Å; I184-D186 PolarHBondContact O-N 3.29Å; I184-A187 WeakPolarHBondContact O-CB 3.21Å; I184-A187 PolarHBondContact O-N 2.93Å; I184-F188 WeakPolarHBondContact O-CB 3.41Å; I184-F188 PolarHBondContact O-N 2.84Å; I184-L253 HydrophobicContact CD1-CD1 3.52Å; I184-L253 HydrophobicContact CG1-CD1 4.14Å; I184-L255 HydrophobicContact CG2-CD1 3.94Å; I184-T370 HydrophobicContact CD1-CG2 3.96Å; I184-L433 HydrophobicContact CB-CD1 4Å; I184-L433 HydrophobicContact CG2-CD1 3.48Å; I184-L433 VanDerWaalsContact CG2-CD1 3.48Å
185G98.8Very high98Very high0 Ų025.4 Ų25.40%014%0.141CC..Hα-helixtrans-62.1-38.5176.900000113.2L181 H182 F188 M189 Y275L181-G185 PolarHBondContact O-N 2.95Å; H182-G185 PolarHBondContact O-N 3.44Å; G185-F188 WeakPolarHBondContact O-CB 3.42Å; G185-F188 PolarHBondContact O-N 2.71Å; G185-M189 WeakPolarHBondContact O-CB 3.44Å; G185-M189 WeakPolarHBondContact O-CG 3.42Å; G185-M189 PolarHBondContact O-N 2.94Å; G185-Y275 VanDerWaalsContact CA-CD1 3.49Å
186D98.7Very high98.1Very high27 Ų2723.9 Ų23.914%0.14413%0.132CC..Hα-helixtrans-66.3-41.7174.1-72.4-3.9000110.9H171 H182 I184 M189 M190H171-D186 IonicContact CD2-OD2 3.8Å; H171-D186 IonicContact NE2-OD2 3.31Å; H171-D186 PolarHBondContact NE2-OD2 2.81Å; H182-D186 VanDerWaalsContact O-CB 3.32Å; H182-D186 WeakPolarHBondContact O-CB 3.39Å; H182-D186 VanDerWaalsContact O-CG 3.23Å; H182-D186 PolarHBondContact O-N 3.42Å; I184-D186 VanDerWaalsContact C-N 3.33Å; I184-D186 PolarHBondContact O-N 3.29Å; D186-M189 WeakPolarHBondContact O-CB 3.2Å; D186-M189 PolarHBondContact O-N 2.82Å; D186-M189 WeakPolarHBondContact OD1-CE 3.42Å; D186-M190 HydrophobicContact CB-CE 4.4Å; D186-M190 VanDerWaalsContact O-CG 3.25Å; D186-M190 WeakPolarHBondContact O-CG 3.42Å; D186-M190 PolarHBondContact O-N 3.08Å
187A98.9Very high98.2Very high0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-64.1-44.217500000112.5S183 I184 M189 M190 I191 M199 C201 L255S183-A187 WeakPolarHBondContact O-CB 3.27Å; S183-A187 PolarHBondContact O-N 2.74Å; S183-A187 VanDerWaalsContact O-N 3.14Å; I184-A187 WeakPolarHBondContact O-CB 3.21Å; I184-A187 PolarHBondContact O-N 2.93Å; A187-M189 VanDerWaalsContact C-N 3.31Å; A187-M189 PolarHBondContact O-N 2.95Å; A187-M190 PolarHBondContact O-N 2.81Å; A187-I191 PolarHBondContact O-N 2.89Å; A187-M199 HydrophobicContact CB-CB 3.73Å; A187-M199 HydrophobicContact CB-CE 4.13Å; A187-M199 HydrophobicContact CB-CG 4.03Å; A187-C201 HydrophobicContact CB-CB 3.46Å; A187-C201 VanDerWaalsContact CB-CB 3.46Å; A187-L255 HydrophobicContact CB-CD1 4.12Å
188F98.7Very high98.2Very high2 Ų224.4 Ų24.41%0.00913%0.13CC..Hα-helixtrans-53.1-51.2172.2167-112.5000110.7V13 I184 G185 M190 I191 Q192 L255 V272V13-F188 HydrophobicContact CB-CD2 3.58Å; V13-F188 HydrophobicContact CB-CE2 3.85Å; V13-F188 HydrophobicContact CG1-CD2 4.03Å; V13-F188 HydrophobicContact CG2-CD2 3.59Å; V13-F188 HydrophobicContact CG2-CE2 3.77Å; I184-F188 WeakPolarHBondContact O-CB 3.41Å; I184-F188 PolarHBondContact O-N 2.84Å; G185-F188 WeakPolarHBondContact O-CB 3.42Å; G185-F188 PolarHBondContact O-N 2.71Å; F188-M190 PolarHBondContact O-N 2.62Å; F188-I191 PolarHBondContact O-N 3.06Å; F188-Q192 HydrophobicContact CD2-CG 4.39Å; F188-Q192 VanDerWaalsContact CE1-CD 3.47Å; F188-Q192 HydrophobicContact CE1-CG 4.44Å; F188-Q192 HydrophobicContact CE2-CG 4.06Å; F188-Q192 HydrophobicContact CZ-CG 4.12Å; F188-Q192 WeakPolarHBondContact O-CG 3.28Å; F188-Q192 PolarHBondContact O-N 3.27Å; F188-L255 HydrophobicContact CB-CD1 4.14Å; F188-V272 HydrophobicContact CB-CG1 4.33Å; F188-V272 HydrophobicContact CD1-CG1 4.39Å; F188-V272 HydrophobicContact CD2-CB 3.87Å; F188-V272 HydrophobicContact CD2-CG1 3.62Å; F188-V272 HydrophobicContact CE2-CB 4.11Å; F188-V272 HydrophobicContact CE2-CG1 3.91Å; F188-V272 WeakPolarHBondContact CE2-O 3.4Å; F188-V272 HydrophobicContact CG-CG1 3.87Å; F188-V272 HydrophobicContact CZ-CG1 4.38Å
189M97.9Very high98.3Very high40 Ų4024.4 Ų24.420%0.19713%0.13CC..Hα-helixtrans-60.1-44.7175.4-82.4-164.6-57.300112.6G185 D186 A187 I191 Q192 R193 Y275G185-M189 WeakPolarHBondContact O-CB 3.44Å; G185-M189 WeakPolarHBondContact O-CG 3.42Å; G185-M189 PolarHBondContact O-N 2.94Å; D186-M189 WeakPolarHBondContact O-CB 3.2Å; D186-M189 PolarHBondContact O-N 2.82Å; D186-M189 WeakPolarHBondContact OD1-CE 3.42Å; A187-M189 VanDerWaalsContact C-N 3.31Å; A187-M189 PolarHBondContact O-N 2.95Å; M189-I191 VanDerWaalsContact C-N 3.3Å; M189-I191 PolarHBondContact O-N 3.43Å; M189-Q192 WeakPolarHBondContact O-CB 3.21Å; M189-Q192 PolarHBondContact O-N 2.85Å; M189-Q192 VanDerWaalsContact O-N 3.15Å; M189-R193 VanDerWaalsContact CB-NH1 3.32Å; M189-R193 WeakPolarHBondContact O-CD 3.32Å; M189-R193 PolarHBondContact O-N 3.03Å; M189-R193 PolarHBondContact SD-NH1 3.26Å; M189-R193 PolarHBondContact SD-NH2 3.06Å; M189-R193 VanDerWaalsContact SD-NH2 3.37Å; M189-Y275 HydrophobicContact CE-CD1 4.09Å; M189-Y275 HydrophobicContact CE-CE1 3.74Å; M189-Y275 HydrophobicContact CG-CD1 4.34Å; M189-Y275 HydrophobicContact SD-CD1 4.29Å; M189-Y275 HydrophobicContact SD-CE1 4.47Å
190M98.3Very high98.3Very high29 Ų2924.4 Ų24.414%0.14313%0.13CC..Hα-helixtrans-58.3-41.9178.8-73.4172.3-16600112.2P169 H171 D186 A187 F188 R193 G194 L195 M199P169-M190 HydrophobicContact CB-SD 3.63Å; P169-M190 HydrophobicContact CG-SD 4.21Å; H171-M190 HydrophobicContact CB-CE 3.74Å; D186-M190 HydrophobicContact CB-CE 4.4Å; D186-M190 VanDerWaalsContact O-CG 3.25Å; D186-M190 WeakPolarHBondContact O-CG 3.42Å; D186-M190 PolarHBondContact O-N 3.08Å; A187-M190 PolarHBondContact O-N 2.81Å; F188-M190 PolarHBondContact O-N 2.62Å; M190-R193 PolarHBondContact O-N 2.87Å; M190-G194 PolarHBondContact O-N 2.83Å; M190-L195 HydrophobicContact CB-CB 4.34Å; M190-L195 HydrophobicContact CB-CD1 4.49Å; M190-L195 HydrophobicContact CG-CD1 4.24Å; M190-L195 WeakPolarHBondContact O-CB 3.46Å; M190-L195 PolarHBondContact O-N 2.96Å; M190-M199 HydrophobicContact CB-CE 4.5Å; M190-M199 HydrophobicContact CB-SD 4.38Å; M190-M199 HydrophobicContact SD-CE 3.56Å; M190-M199 VanDerWaalsContact SD-CE 3.56Å; M190-M199 HydrophobicContact SD-SD 4.44Å
191I98.6Very high98.3Very high2 Ų224.4 Ų24.41%0.0113%0.13CC..Hα-helixtrans-64.7-47.1174.4-64.3169.9000110.4V11 V13 A187 F188 M189 R193 G194 A196 M199 L255 E257V11-I191 HydrophobicContact CG1-CG2 4.11Å; V13-I191 HydrophobicContact CG1-CB 4.49Å; V13-I191 HydrophobicContact CG1-CD1 3.75Å; V13-I191 HydrophobicContact CG1-CG2 4.44Å; V13-I191 HydrophobicContact CG2-CB 3.97Å; V13-I191 HydrophobicContact CG2-CG2 3.67Å; A187-I191 PolarHBondContact O-N 2.89Å; F188-I191 PolarHBondContact O-N 3.06Å; M189-I191 VanDerWaalsContact C-N 3.3Å; M189-I191 PolarHBondContact O-N 3.43Å; I191-R193 PolarHBondContact O-N 3.38Å; I191-R193 VanDerWaalsContact O-N 3.11Å; I191-G194 PolarHBondContact O-N 3.44Å; I191-A196 WeakPolarHBondContact CA-O 3.17Å; I191-M199 HydrophobicContact CD1-CB 4.06Å; I191-M199 HydrophobicContact CD1-CG 3.74Å; I191-M199 HydrophobicContact CG1-CB 4.45Å; I191-M199 HydrophobicContact CG1-CG 3.59Å; I191-L255 HydrophobicContact CD1-CB 3.71Å; I191-E257 HydrophobicContact CG2-CB 3.81Å; I191-E257 HydrophobicContact CG2-CG 4.31Å
192Q97Very high98.3Very high48 Ų4824.4 Ų24.422%0.22413%0.13CC..Hα-helixtrans-56.4-32.2178.6-76.3-173.8-4200113.6V13 F188 M189 G194V13-Q192 HydrophobicContact CG2-CG 4.13Å; F188-Q192 HydrophobicContact CD2-CG 4.39Å; F188-Q192 VanDerWaalsContact CE1-CD 3.47Å; F188-Q192 HydrophobicContact CE1-CG 4.44Å; F188-Q192 HydrophobicContact CE2-CG 4.06Å; F188-Q192 HydrophobicContact CZ-CG 4.12Å; F188-Q192 WeakPolarHBondContact O-CG 3.28Å; F188-Q192 PolarHBondContact O-N 3.27Å; M189-Q192 WeakPolarHBondContact O-CB 3.21Å; M189-Q192 PolarHBondContact O-N 2.85Å; M189-Q192 VanDerWaalsContact O-N 3.15Å; Q192-G194 VanDerWaalsContact C-N 3.32Å
193R96.1Very high98.3Very high137 Ų13723.7 Ų23.752%0.51713%0.127SC..THydrogen-bonded Turntrans-88.3-1.8180-75.178.8-177-120.122.6112.7R8 M189 M190 I191 L195R8-R193 PolarHBondContact NH1-O 3.4Å; M189-R193 VanDerWaalsContact CB-NH1 3.32Å; M189-R193 WeakPolarHBondContact O-CD 3.32Å; M189-R193 PolarHBondContact O-N 3.03Å; M189-R193 PolarHBondContact SD-NH1 3.26Å; M189-R193 PolarHBondContact SD-NH2 3.06Å; M189-R193 VanDerWaalsContact SD-NH2 3.37Å; M190-R193 PolarHBondContact O-N 2.87Å; I191-R193 PolarHBondContact O-N 3.38Å; I191-R193 VanDerWaalsContact O-N 3.11Å; R193-L195 HydrophobicContact CB-CG 4.38Å
194G96.2Very high98.3Very high58 Ų5823.7 Ų23.760%0.59813%0.127SC*.THydrogen-bonded Turntrans7524.9179.500000113.5M190 I191 Q192 A196M190-G194 PolarHBondContact O-N 2.83Å; I191-G194 PolarHBondContact O-N 3.44Å; Q192-G194 VanDerWaalsContact C-N 3.32Å; G194-A196 VanDerWaalsContact C-N 3.34Å
195L97.5Very high98.3Very high105 Ų10523.8 Ų23.855%0.5513%0.127SC..SBendtrans-81.2-18.4175.8-60.5178.3000112.5P169 M190 R193P169-L195 WeakPolarHBondContact CD-O 3.47Å; P169-L195 HydrophobicContact CG-CB 3.96Å; M190-L195 HydrophobicContact CB-CB 4.34Å; M190-L195 HydrophobicContact CB-CD1 4.49Å; M190-L195 HydrophobicContact CG-CD1 4.24Å; M190-L195 WeakPolarHBondContact O-CB 3.46Å; M190-L195 PolarHBondContact O-N 2.96Å; R193-L195 HydrophobicContact CB-CG 4.38Å
196A98.4Very high98.2Very high3 Ų323.9 Ų23.93%0.02513%0.128CC..  trans-157155.8174.900000109.7N113 P169 I191 G194 M199N113-A196 CarbonylContact O-C 3.47Å; N113-A196 WeakPolarHBondContact O-CA 3.35Å; N113-A196 WeakPolarHBondContact O-CB 3.17Å; P169-A196 HydrophobicContact CG-CB 4.42Å; I191-A196 WeakPolarHBondContact CA-O 3.17Å; G194-A196 VanDerWaalsContact C-N 3.34Å; A196-M199 HydrophobicContact CB-CG 4.1Å; A196-M199 HydrophobicContact CB-SD 3.48Å; A196-M199 WeakPolarHBondContact CB-SD 3.03Å
197N98.5Very high98Very high47 Ų4722.6 Ų22.625%0.25112%0.121SC..SBendtrans-92-30.6165.9-66.6108.4000111.5N113 E256 E257N113-N197 HydrophobicContact CB-CB 4.39Å; N113-N197 WeakPolarHBondContact CB-OD1 3.44Å; N113-N197 PolarHBondContact ND2-OD1 3.48Å; N113-N197 PolarHBondContact O-N 3.34Å; N197-E256 CarbonylContact O-C 3.52Å; N197-E256 VanDerWaalsContact O-CA 3.31Å; N197-E256 WeakPolarHBondContact O-CA 3.4Å; N197-E257 PolarHBondContact O-N 3.01Å
198V98.9Very high97.9Very high0 Ų023.2 Ų23.20%012%0.124CC..EExtended strand (participates in β ladder)trans-129.9136-178.2-174.80000109.5W103 N113 T114 G115 I254 L255 E256W103-V198 HydrophobicContact CD2-CG2 4.18Å; W103-V198 HydrophobicContact CG-CG1 4.25Å; W103-V198 HydrophobicContact CH2-CG2 4.36Å; W103-V198 HydrophobicContact CZ2-CB 4.49Å; W103-V198 HydrophobicContact CZ2-CG2 3.81Å; N113-V198 PolarHBondContact O-N 3.41Å; T114-V198 CarbonylContact C-O 3.52Å; T114-V198 VanDerWaalsContact CA-O 3.25Å; T114-V198 WeakPolarHBondContact CA-O 3.08Å; T114-V198 HydrophobicContact CG2-CB 4.2Å; T114-V198 HydrophobicContact CG2-CG1 4.29Å; G115-V198 PolarHBondContact N-O 2.93Å; V198-I254 HydrophobicContact CG1-CG2 3.54Å; V198-L255 CarbonylContact C-O 3.51Å; V198-L255 WeakPolarHBondContact CA-O 3.45Å; V198-E256 HydrophobicContact CG2-CG 3.98Å
199M98.9Very high97.7Very high0 Ų023.6 Ų23.60%013%0.127CC..EExtended strand (participates in β ladder)trans-128.1122.2175.7-67.6-65.2-61.400110.5G115 P169 A187 M190 I191 A196 C201 L255G115-M199 WeakPolarHBondContact CA-SD 3.28Å; G115-M199 WeakPolarHBondContact O-CA 3.49Å; P169-M199 HydrophobicContact CB-CE 4.3Å; P169-M199 HydrophobicContact CG-SD 4.43Å; A187-M199 HydrophobicContact CB-CB 3.73Å; A187-M199 HydrophobicContact CB-CE 4.13Å; A187-M199 HydrophobicContact CB-CG 4.03Å; M190-M199 HydrophobicContact CB-CE 4.5Å; M190-M199 HydrophobicContact CB-SD 4.38Å; M190-M199 HydrophobicContact SD-CE 3.56Å; M190-M199 VanDerWaalsContact SD-CE 3.56Å; M190-M199 HydrophobicContact SD-SD 4.44Å; I191-M199 HydrophobicContact CD1-CB 4.06Å; I191-M199 HydrophobicContact CD1-CG 3.74Å; I191-M199 HydrophobicContact CG1-CB 4.45Å; I191-M199 HydrophobicContact CG1-CG 3.59Å; A196-M199 HydrophobicContact CB-CG 4.1Å; A196-M199 HydrophobicContact CB-SD 3.48Å; A196-M199 WeakPolarHBondContact CB-SD 3.03Å; M199-C201 PolarHBondContact O-N 3.19Å; M199-L255 HydrophobicContact CB-CB 4.4Å; M199-L255 PolarHBondContact N-O 3.03Å; M199-L255 PolarHBondContact O-N 3.05Å
200I98.9Very high97.6Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans-79.5107.1165.4-56.8164.8000106.5A94 L98 T114 G115 V116 S117 I118 I166 V252 I254A94-I200 HydrophobicContact CB-CG2 4.42Å; L98-I200 HydrophobicContact CD1-CD1 4.12Å; L98-I200 HydrophobicContact CD2-CD1 3.93Å; L98-I200 HydrophobicContact CD2-CG1 3.99Å; L98-I200 HydrophobicContact CG-CD1 4.4Å; T114-I200 HydrophobicContact CG2-CD1 4.44Å; G115-I200 PolarHBondContact O-N 3.24Å; V116-I200 CarbonylContact C-O 3.59Å; V116-I200 WeakPolarHBondContact CA-O 3.32Å; V116-I200 HydrophobicContact CG2-CB 4.46Å; V116-I200 HydrophobicContact CG2-CD1 4.26Å; S117-I200 PolarHBondContact N-O 3.35Å; I118-I200 HydrophobicContact CD1-CG2 4.39Å; I166-I200 HydrophobicContact CD1-CD1 4.4Å; I166-I200 HydrophobicContact CG1-CD1 4.22Å; I200-V252 HydrophobicContact CG2-CG1 3.69Å; I200-I254 HydrophobicContact CB-CD1 4.33Å; I200-I254 HydrophobicContact CG1-CD1 3.91Å; I200-I254 HydrophobicContact CG2-CD1 4.3Å
201C98.9Very high97.5Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-134.5157.2-171.5720000114.4S117 I118 A187 M199 V252 L253 L255S117-C201 CarbonylContact O-C 3.58Å; S117-C201 WeakPolarHBondContact O-CA 3.43Å; I118-C201 VanDerWaalsContact CD1-C 3.5Å; A187-C201 HydrophobicContact CB-CB 3.46Å; A187-C201 VanDerWaalsContact CB-CB 3.46Å; M199-C201 PolarHBondContact O-N 3.19Å; C201-V252 CarbonylContact O-C 3.58Å; C201-V252 WeakPolarHBondContact O-CA 3.39Å; C201-L253 PolarHBondContact N-O 3.25Å; C201-L253 PolarHBondContact O-N 3.03Å; C201-L255 VanDerWaalsContact SG-CG 3.59Å
202G98.8Very high97.4Very high0 Ų025.8 Ų25.80%014%0.143CC..EExtended strand (participates in β ladder)trans141.1-147.6-17700000112.4S117 I118 G119 S183 G251S117-G202 PolarHBondContact O-N 3.35Å; I118-G202 WeakPolarHBondContact CA-O 3.38Å; G119-G202 PolarHBondContact N-O 2.93Å; S183-G202 WeakPolarHBondContact CB-O 3.38Å; S183-G202 PolarHBondContact OG-O 2.81Å; S183-G202 VanDerWaalsContact OG-O 3.06Å; G202-G251 WeakPolarHBondContact CA-O 3.34Å
203S98.8Very high97.4Very high0 Ų023.6 Ų23.60%013%0.132CC..EExtended strand (participates in β ladder)trans-166162.9-178.353.70000112.6G119 G180 A250 G251 G363 A364 S367G119-S203 WeakPolarHBondContact O-CA 3.36Å; G119-S203 WeakPolarHBondContact O-CB 3.22Å; G180-S203 WeakPolarHBondContact CA-OG 3.4Å; G180-S203 PolarHBondContact N-OG 2.94Å; S203-A250 WeakPolarHBondContact O-CA 3.29Å; S203-G251 PolarHBondContact N-O 3.2Å; S203-G251 PolarHBondContact O-N 3.26Å; S203-G363 WeakPolarHBondContact CB-O 3.3Å; S203-G363 PolarHBondContact OG-O 2.88Å; S203-A364 VanDerWaalsContact OG-CA 3.31Å; S203-A364 WeakPolarHBondContact OG-CA 3.37Å; S203-S367 PolarHBondContact N-OG 2.77Å; S203-S367 PolarHBondContact O-OG 2.71Å; S203-S367 PolarHBondContact OG-OG 3.01Å
204A98.7Very high97.5Very high0 Ų018.3 Ų18.30%012%0.118CC..EExtended strand (participates in β ladder)trans-138.5154.6173.500000112.4A86 A90 G119 T120 I156 G249 A250A86-A204 HydrophobicContact CB-CB 4.39Å; A86-A204 VanDerWaalsContact O-CB 3.26Å; A86-A204 WeakPolarHBondContact O-CB 3.43Å; A90-A204 HydrophobicContact CB-CB 3.78Å; G119-A204 PolarHBondContact O-N 3.28Å; T120-A204 WeakPolarHBondContact CB-O 3.31Å; T120-A204 PolarHBondContact OG1-O 3.22Å; I156-A204 HydrophobicContact CD1-CB 4.02Å; A204-G249 CarbonylContact C-O 3.5Å; A204-G249 WeakPolarHBondContact CA-O 3.44Å; A204-A250 HydrophobicContact CB-CB 3.56Å
205E98Very high97.5Very high1 Ų117.4 Ų17.41%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-147.9138.4-175.8-175.165.4-100.700110.5G121 M122 S207 E248 G249 L361 L362 G363 A364G121-E205 PolarHBondContact N-OE2 2.86Å; M122-E205 PolarHBondContact N-OE2 3.35Å; E205-S207 WeakPolarHBondContact OE1-CB 3.41Å; E205-S207 PolarHBondContact OE1-N 3.07Å; E205-S207 PolarHBondContact OE1-OG 3.28Å; E205-E248 WeakPolarHBondContact O-CB 3.32Å; E205-G249 PolarHBondContact N-O 3.29Å; E205-G249 PolarHBondContact O-N 3.46Å; E205-L361 WeakPolarHBondContact CB-O 3.49Å; E205-L362 HydrophobicContact CG-CB 4.02Å; E205-L362 HydrophobicContact CG-CD1 3.99Å; E205-G363 PolarHBondContact OE2-N 3.17Å; E205-A364 HydrophobicContact CB-CB 3.75Å
206S96.9Very high97.5Very high2 Ų213.6 Ų13.61%0.0149%0.088CC..  trans-146.952171.3-168.30000111.2K85 I208 E248K85-S206 WeakPolarHBondContact CD-OG 3.25Å; S206-I208 VanDerWaalsContact C-N 3.33Å; S206-I208 PolarHBondContact O-N 3.21Å; S206-E248 PolarHBondContact OG-OE2 3.48Å
207S94.4Very high97.4Very high0 Ų014.3 Ų14.30%09%0.093CC..  trans-89.515.8-175.5-77.40000114.8M122 E205 N209 C212 M246M122-S207 WeakPolarHBondContact CB-OG 3.33Å; E205-S207 WeakPolarHBondContact OE1-CB 3.41Å; E205-S207 PolarHBondContact OE1-N 3.07Å; E205-S207 PolarHBondContact OE1-OG 3.28Å; S207-N209 PolarHBondContact O-N 3Å; S207-C212 WeakPolarHBondContact O-CB 3.35Å; S207-C212 PolarHBondContact O-SG 2.86Å; S207-M246 WeakPolarHBondContact O-CE 3.22Å
208I96.5Very high97.3Very high13 Ų1322.1 Ų22.17%0.06712%0.118CC..  trans-80.890.3176-58.4168.9000109.1L45 F50 A58 L60 S206 M246 E248L45-I208 HydrophobicContact CD2-CG2 3.65Å; F50-I208 HydrophobicContact CZ-CG2 4.47Å; A58-I208 HydrophobicContact CB-CD1 4.06Å; A58-I208 HydrophobicContact CB-CG2 4.24Å; L60-I208 HydrophobicContact CD2-CB 4.12Å; L60-I208 HydrophobicContact CD2-CD1 3.69Å; L60-I208 HydrophobicContact CD2-CG2 3.94Å; L60-I208 HydrophobicContact CG-CD1 4.2Å; S206-I208 VanDerWaalsContact C-N 3.33Å; S206-I208 PolarHBondContact O-N 3.21Å; I208-M246 HydrophobicContact CG1-CB 4.26Å; I208-E248 HydrophobicContact CD1-CB 3.9Å; I208-E248 HydrophobicContact CD1-CG 3.87Å; I208-E248 HydrophobicContact CG1-CB 4.39Å
209N95.4Very high97.2Very high11 Ų1126.5 Ų26.56%0.05914%0.141CC..SBendtrans-142.1165.3172.76570.2000110.3S207 L211 C212 V213S207-N209 PolarHBondContact O-N 3Å; N209-L211 VanDerWaalsContact C-N 3.28Å; N209-L211 PolarHBondContact O-N 3.24Å; N209-L211 WeakPolarHBondContact OD1-CB 3.04Å; N209-L211 PolarHBondContact OD1-N 2.55Å; N209-L211 VanDerWaalsContact OD1-N 3.07Å; N209-C212 PolarHBondContact ND2-SG 3.31Å; N209-C212 PolarHBondContact O-N 3.5Å; N209-C212 PolarHBondContact OD1-N 3.46Å; N209-V213 WeakPolarHBondContact O-CG2 3.34Å; N209-V213 PolarHBondContact O-N 2.7Å
210G95.6Very high97Very high13 Ų1337.2 Ų37.213%0.13418%0.181CC..Hα-helixtrans-54.9-38.2-17600000114.3M53 A214M53-G210 WeakPolarHBondContact CE-O 3.31Å; G210-A214 VanDerWaalsContact O-CB 3.23Å; G210-A214 WeakPolarHBondContact O-CB 3.45Å; G210-A214 PolarHBondContact O-N 2.93Å
211L96Very high96.9Very high97 Ų9738 Ų3851%0.50819%0.188SC..Hα-helixtrans-69.9-46-179.9-178.860.9000112L125 I129 N209 A214 G215L125-L211 HydrophobicContact CD1-CD2 4.23Å; I129-L211 HydrophobicContact CD1-CB 3.6Å; I129-L211 HydrophobicContact CD1-CD2 3.76Å; I129-L211 HydrophobicContact CD1-CG 4.34Å; I129-L211 HydrophobicContact CG1-CD2 4.07Å; N209-L211 VanDerWaalsContact C-N 3.28Å; N209-L211 PolarHBondContact O-N 3.24Å; N209-L211 WeakPolarHBondContact OD1-CB 3.04Å; N209-L211 PolarHBondContact OD1-N 2.55Å; N209-L211 VanDerWaalsContact OD1-N 3.07Å; L211-A214 PolarHBondContact O-N 3.18Å; L211-G215 PolarHBondContact O-N 3.09Å
212C96.8Very high96.8Very high7 Ų738.5 Ų38.55%0.04719%0.191CC..Hα-helixtrans-61.7-47.2176.8-70.20000111.4L125 S207 N209 A214 G215 F216 M246L125-C212 VanDerWaalsContact CD1-SG 3.59Å; S207-C212 WeakPolarHBondContact O-CB 3.35Å; S207-C212 PolarHBondContact O-SG 2.86Å; N209-C212 PolarHBondContact ND2-SG 3.31Å; N209-C212 PolarHBondContact O-N 3.5Å; N209-C212 PolarHBondContact OD1-N 3.46Å; C212-A214 VanDerWaalsContact C-N 3.33Å; C212-A214 PolarHBondContact O-N 2.84Å; C212-G215 PolarHBondContact O-N 2.88Å; C212-F216 VanDerWaalsContact O-CD2 3.25Å; C212-F216 WeakPolarHBondContact O-CD2 3.2Å; C212-F216 PolarHBondContact O-N 3.25Å; C212-M246 HydrophobicContact CB-CE 3.78Å
213V97.8Very high96.8Very high1 Ų138.6 Ų38.61%0.00619%0.191CC..Hα-helixtrans-60.1-45.6178.3174.10000110.2L45 F50 M53 N209 G215 F216 C217 L222 M246L45-V213 HydrophobicContact CD1-CG1 4.35Å; L45-V213 HydrophobicContact CD1-CG2 4.18Å; F50-V213 HydrophobicContact CD1-CB 4.3Å; F50-V213 HydrophobicContact CD1-CG1 4.36Å; F50-V213 HydrophobicContact CD1-CG2 4.13Å; F50-V213 HydrophobicContact CE1-CB 4.21Å; F50-V213 HydrophobicContact CE1-CG2 3.71Å; M53-V213 HydrophobicContact CB-CG1 4.07Å; M53-V213 HydrophobicContact CG-CG1 3.94Å; M53-V213 HydrophobicContact SD-CG1 4.45Å; N209-V213 WeakPolarHBondContact O-CG2 3.34Å; N209-V213 PolarHBondContact O-N 2.7Å; V213-G215 PolarHBondContact O-N 2.98Å; V213-F216 PolarHBondContact O-N 3.18Å; V213-C217 VanDerWaalsContact O-CB 3.31Å; V213-C217 WeakPolarHBondContact O-CB 3.44Å; V213-C217 PolarHBondContact O-N 3.48Å; V213-C217 PolarHBondContact O-SG 2.86Å; V213-C217 VanDerWaalsContact O-SG 3.34Å; V213-L222 HydrophobicContact CG1-CD1 4.11Å; V213-M246 HydrophobicContact CB-SD 4.45Å; V213-M246 HydrophobicContact CG2-SD 3.73Å
214A97.6Very high96.8Very high27 Ų2741.6 Ų41.622%0.22321%0.21CC..Hα-helixtrans-58.2-47.4175.100000112.1M53 G210 L211 C212 F216 C217 R218M53-A214 HydrophobicContact CE-CB 3.75Å; M53-A214 HydrophobicContact SD-CB 3.83Å; G210-A214 VanDerWaalsContact O-CB 3.23Å; G210-A214 WeakPolarHBondContact O-CB 3.45Å; G210-A214 PolarHBondContact O-N 2.93Å; L211-A214 PolarHBondContact O-N 3.18Å; C212-A214 VanDerWaalsContact C-N 3.33Å; C212-A214 PolarHBondContact O-N 2.84Å; A214-F216 PolarHBondContact O-N 2.88Å; A214-C217 PolarHBondContact O-N 3.16Å; A214-R218 WeakPolarHBondContact O-CB 2.96Å; A214-R218 VanDerWaalsContact O-CG 3.27Å; A214-R218 WeakPolarHBondContact O-CG 3.25Å; A214-R218 PolarHBondContact O-N 3.32Å
215G96.7Very high96.7Very high39 Ų3946.5 Ų46.540%0.40223%0.231SC..Hα-helixtrans-57.4-50179.100000112.4L211 C212 V213 R218 I219L211-G215 PolarHBondContact O-N 3.09Å; C212-G215 PolarHBondContact O-N 2.88Å; V213-G215 PolarHBondContact O-N 2.98Å; G215-R218 PolarHBondContact O-N 2.76Å; G215-I219 PolarHBondContact O-N 3.29Å
216F96.8Very high96.7Very high25 Ų2547.9 Ų47.911%0.1124%0.237CC..Hα-helixtrans-70.5-32.8178.3-72.3-66.3000113.3M122 C212 V213 A214 R218 I219 R220 A221 L222 F244 M246 L362 F426M122-F216 HydrophobicContact CE-CE2 3.96Å; M122-F216 HydrophobicContact CE-CZ 3.99Å; M122-F216 HydrophobicContact SD-CE2 4.34Å; M122-F216 HydrophobicContact SD-CZ 4.32Å; C212-F216 VanDerWaalsContact O-CD2 3.25Å; C212-F216 WeakPolarHBondContact O-CD2 3.2Å; C212-F216 PolarHBondContact O-N 3.25Å; V213-F216 PolarHBondContact O-N 3.18Å; A214-F216 PolarHBondContact O-N 2.88Å; F216-R218 VanDerWaalsContact C-N 3.33Å; F216-I219 HydrophobicContact CD1-CD1 4.05Å; F216-I219 WeakPolarHBondContact O-CG1 3.43Å; F216-I219 PolarHBondContact O-N 3.21Å; F216-R220 PolarHBondContact O-N 3.25Å; F216-A221 HydrophobicContact CD1-CB 4.36Å; F216-A221 PolarHBondContact O-N 2.96Å; F216-L222 HydrophobicContact CB-CD1 3.84Å; F216-L222 HydrophobicContact CB-CD2 3.64Å; F216-L222 HydrophobicContact CB-CG 3.55Å; F216-L222 HydrophobicContact CG-CD2 4.3Å; F216-F244 HydrophobicContact CB-CZ 4.41Å; F216-F244 AromaticContact CD1-CE1 4Å; F216-F244 HydrophobicContact CD1-CE1 4Å; F216-F244 AromaticContact CD1-CZ 3.74Å; F216-F244 HydrophobicContact CD1-CZ 3.74Å; F216-F244 HydrophobicContact CD2-CZ 4.26Å; F216-F244 HydrophobicContact CE1-CE1 4.37Å; F216-F244 AromaticContact CE1-CZ 3.99Å; F216-F244 HydrophobicContact CE1-CZ 3.99Å; F216-F244 HydrophobicContact CE2-CZ 4.49Å; F216-F244 HydrophobicContact CG-CE1 4.46Å; F216-F244 AromaticContact CG-CZ 3.9Å; F216-F244 HydrophobicContact CG-CZ 3.9Å; F216-F244 HydrophobicContact CZ-CZ 4.36Å; F216-M246 HydrophobicContact CD2-CE 3.98Å; F216-M246 HydrophobicContact CD2-SD 3.83Å; F216-M246 HydrophobicContact CE2-CE 4.12Å; F216-L362 HydrophobicContact CE2-CD2 4.33Å; F216-L362 HydrophobicContact CZ-CD2 4.12Å; F216-F426 AromaticContact CE1-CE2 3.87Å; F216-F426 HydrophobicContact CE1-CE2 3.87Å; F216-F426 HydrophobicContact CE1-CZ 4.08Å
217C97.1Very high96.8Very high18 Ų1849.9 Ų49.912%0.12225%0.247CC..Hα-helixtrans-61.8-40.4170.1-80.40000111.8P54 V213 A214 I219 R220P54-C217 HydrophobicContact CG-CB 4.36Å; V213-C217 VanDerWaalsContact O-CB 3.31Å; V213-C217 WeakPolarHBondContact O-CB 3.44Å; V213-C217 PolarHBondContact O-N 3.48Å; V213-C217 PolarHBondContact O-SG 2.86Å; V213-C217 VanDerWaalsContact O-SG 3.34Å; A214-C217 PolarHBondContact O-N 3.16Å; C217-I219 VanDerWaalsContact C-N 3.28Å; C217-I219 PolarHBondContact O-N 2.9Å; C217-R220 WeakPolarHBondContact O-CA 3.14Å; C217-R220 PolarHBondContact O-N 2.83Å
218R96.6Very high96.9Very high210 Ų21055.6 Ų55.679%0.79229%0.287SS*.Hα-helixtrans-64.5-31.6-178.3-77.2-63.8-57.1-82.6-1113.3A214 G215 F216 R220A214-R218 WeakPolarHBondContact O-CB 2.96Å; A214-R218 VanDerWaalsContact O-CG 3.27Å; A214-R218 WeakPolarHBondContact O-CG 3.25Å; A214-R218 PolarHBondContact O-N 3.32Å; G215-R218 PolarHBondContact O-N 2.76Å; F216-R218 VanDerWaalsContact C-N 3.33Å; R218-R220 VanDerWaalsContact C-N 3.33Å
219I95.1Very high97Very high92 Ų9258.5 Ų58.547%0.47230%0.303SS..THydrogen-bonded Turntrans-91.57.2173.165.9166.8000113.2G215 F216 C217 A221 F426G215-I219 PolarHBondContact O-N 3.29Å; F216-I219 HydrophobicContact CD1-CD1 4.05Å; F216-I219 WeakPolarHBondContact O-CG1 3.43Å; F216-I219 PolarHBondContact O-N 3.21Å; C217-I219 VanDerWaalsContact C-N 3.28Å; C217-I219 PolarHBondContact O-N 2.9Å; I219-A221 HydrophobicContact CD1-CB 3.93Å; I219-A221 HydrophobicContact CG1-CB 3.85Å; I219-A221 PolarHBondContact O-N 2.87Å; I219-F426 HydrophobicContact CD1-CE2 3.9Å; I219-F426 HydrophobicContact CD1-CZ 4.23Å
220R95.7Very high97.1Very high225 Ų22559.1 Ų59.185%0.84931%0.308SS*.THydrogen-bonded Turntrans55.435.8179.8-55-179.1178.4-178.7-1.2113.7F216 C217 R218F216-R220 PolarHBondContact O-N 3.25Å; C217-R220 WeakPolarHBondContact O-CA 3.14Å; C217-R220 PolarHBondContact O-N 2.83Å; R218-R220 VanDerWaalsContact C-N 3.33Å
221A96.3Very high97.2Very high17 Ų1763.3 Ų63.314%0.1432%0.324CS..  trans-89.2-18.5179.900000113.4F216 I219 G243 F244F216-A221 HydrophobicContact CD1-CB 4.36Å; F216-A221 PolarHBondContact O-N 2.96Å; I219-A221 HydrophobicContact CD1-CB 3.93Å; I219-A221 HydrophobicContact CG1-CB 3.85Å; I219-A221 PolarHBondContact O-N 2.87Å; A221-G243 CarbonylContact O-C 3.56Å; A221-G243 VanDerWaalsContact O-CA 3.3Å; A221-G243 WeakPolarHBondContact O-CA 3.41Å; A221-F244 HydrophobicContact CB-CD1 4.08Å; A221-F244 HydrophobicContact CB-CE1 3.62Å; A221-F244 WeakPolarHBondContact O-CD1 3.4Å; A221-F244 PolarHBondContact O-N 2.97Å
222L98.1Very high97.3Very high11 Ų1160.1 Ų60.16%0.05831%0.306CS..BIsolated β-bridgetrans-91.2145.1-177.5-57.2-171.4000112.9A55 V213 F216 F244 M246A55-L222 HydrophobicContact CB-CB 3.71Å; A55-L222 HydrophobicContact CB-CD1 3.79Å; A55-L222 HydrophobicContact CB-CG 4.41Å; V213-L222 HydrophobicContact CG1-CD1 4.11Å; F216-L222 HydrophobicContact CB-CD1 3.84Å; F216-L222 HydrophobicContact CB-CD2 3.64Å; F216-L222 HydrophobicContact CB-CG 3.55Å; F216-L222 HydrophobicContact CG-CD2 4.3Å; L222-F244 WeakPolarHBondContact CA-O 3.45Å; L222-F244 HydrophobicContact CD2-CD1 4.18Å; L222-F244 HydrophobicContact CD2-CD2 3.91Å; L222-F244 HydrophobicContact CD2-CE1 3.76Å; L222-F244 HydrophobicContact CD2-CE2 3.48Å; L222-F244 VanDerWaalsContact CD2-CE2 3.48Å; L222-F244 HydrophobicContact CD2-CG 4.25Å; L222-F244 HydrophobicContact CD2-CZ 3.38Å; L222-M246 HydrophobicContact CD1-CG 4.35Å; L222-M246 HydrophobicContact CD1-SD 4.01Å; L222-M246 HydrophobicContact CD2-CG 3.66Å; L222-M246 HydrophobicContact CD2-SD 4.21Å
223C98.4Very high97.3Very high1 Ų159.8 Ų59.81%0.00730%0.304CS..  trans-58.7133.7168.2176.60000110.9A55 D242 F244 V245A55-C223 WeakPolarHBondContact CB-O 3.3Å; C223-D242 PolarHBondContact SG-OD1 3.31Å; C223-F244 PolarHBondContact N-O 3.48Å; C223-V245 HydrophobicContact CB-CG2 4.07Å
224T98Very high97.4Very high64 Ų6459.8 Ų59.839%0.39330%0.304SS..  trans-129.7-20176.2590000112.7P54 A55 F226 N227 D242P54-T224 HydrophobicContact CB-CG2 3.96Å; A55-T224 HydrophobicContact CB-CG2 4.31Å; T224-F226 VanDerWaalsContact C-N 3.33Å; T224-F226 PolarHBondContact O-N 3Å; T224-N227 VanDerWaalsContact O-CG 3.27Å; T224-N227 PolarHBondContact O-ND2 3.33Å; T224-N227 VanDerWaalsContact O-ND2 3.12Å; T224-D242 PolarHBondContact N-OD2 3.46Å; T224-D242 PolarHBondContact OG1-OD2 3.09Å
225K97.7Very high97.4Very high103 Ų10359.1 Ų59.145%0.44830%0.296SS..THydrogen-bonded Turntrans-69-26.9-176.5-173.5171.3177.2177.10114E240 D242K225-E240 WeakPolarHBondContact CE-OE2 3.39Å; K225-E240 IonicContact NZ-OE1 2.94Å; K225-E240 PolarHBondContact NZ-OE1 3.16Å; K225-E240 IonicContact NZ-OE2 3.39Å; K225-E240 PolarHBondContact NZ-OE2 3.41Å; K225-D242 HydrophobicContact CB-CB 4.46Å; K225-D242 VanDerWaalsContact CB-OD2 3.25Å; K225-D242 WeakPolarHBondContact CB-OD2 3.3Å; K225-D242 PolarHBondContact N-OD2 3.44Å
226F97.6Very high97.5Very high30 Ų3057.2 Ų57.213%0.13228%0.277CS..THydrogen-bonded Turntrans-112.629-174-61.9-72.3000113.3T224 S228 D229 Q232 A233 R235 E240T224-F226 VanDerWaalsContact C-N 3.33Å; T224-F226 PolarHBondContact O-N 3Å; F226-S228 PolarHBondContact O-N 3.43Å; F226-D229 CarbonylContact O-C 3.55Å; F226-D229 PolarHBondContact O-N 3.48Å; F226-Q232 HydrophobicContact CD1-CB 4.38Å; F226-A233 HydrophobicContact CB-CB 3.79Å; F226-R235 VanDerWaalsContact CE1-CZ 3.46Å; F226-R235 VanDerWaalsContact CE2-NE 3.3Å; F226-E240 WeakPolarHBondContact CE2-O 3.43Å; F226-E240 HydrophobicContact CZ-CB 4.12Å
227N97.7Very high97.6Very high43 Ų4356 Ų5623%0.2327%0.271CS..THydrogen-bonded Turntrans-57.1-31.2178-77.4-22.7000113.9P54 K56 T224P54-N227 PolarHBondContact O-ND2 3.34Å; K56-N227 HydrophobicContact CB-CB 3.9Å; K56-N227 WeakPolarHBondContact CB-OD1 3.4Å; K56-N227 HydrophobicContact CG-CB 4.04Å; K56-N227 PolarHBondContact N-OD1 2.76Å; T224-N227 VanDerWaalsContact O-CG 3.27Å; T224-N227 PolarHBondContact O-ND2 3.33Å; T224-N227 VanDerWaalsContact O-ND2 3.12Å
228S97.4Very high97.6Very high120 Ų12055.3 Ų55.384%0.83927%0.266SS*.THydrogen-bonded Turntrans-82.8-12177.656.90000113.8F226F226-S228 PolarHBondContact O-N 3.43Å
229D97.7Very high97.7Very high74 Ų7446.5 Ų46.540%0.39624%0.237SC..  trans-140.475.2-179.3-169.2-7.8000110.2F226 Q231 Q232F226-D229 CarbonylContact O-C 3.55Å; F226-D229 PolarHBondContact O-N 3.48Å; D229-Q231 PolarHBondContact O-N 2.88Å; D229-Q231 VanDerWaalsContact O-N 3.16Å; D229-Q232 HydrophobicContact CB-CB 4.33Å; D229-Q232 HydrophobicContact CB-CG 4.38Å; D229-Q232 PolarHBondContact O-N 2.91Å; D229-Q232 WeakPolarHBondContact OD2-CG 3.27Å
230P98.2Very high97.8Very high24 Ų2446.3 Ų46.316%0.15623%0.234CC..G310 helixtrans-57.1-34.3-171.7-24.132.8000113.6I42 K44 V57 Q232 A233I42-P230 WeakPolarHBondContact CB-O 3.43Å; I42-P230 HydrophobicContact CG2-CB 4.03Å; I42-P230 WeakPolarHBondContact CG2-O 2.95Å; K44-P230 HydrophobicContact CB-CG 4.38Å; V57-P230 HydrophobicContact CB-CB 4.14Å; V57-P230 HydrophobicContact CG1-CB 3.68Å; V57-P230 HydrophobicContact CG1-CG 3.78Å; P230-Q232 PolarHBondContact O-N 3.42Å; P230-A233 VanDerWaalsContact O-CB 3.26Å; P230-A233 WeakPolarHBondContact O-CB 3.03Å; P230-A233 PolarHBondContact O-N 2.91Å
231Q97.8Very high97.9Very high102 Ų10235.7 Ų35.748%0.47719%0.194SC..G310 helixtrans-68.2-16.7-178.6-60.3-173.817.600113.2D229 R386 N387D229-Q231 PolarHBondContact O-N 2.88Å; D229-Q231 VanDerWaalsContact O-N 3.16Å; Q231-R386 PolarHBondContact O-NE 3.33Å; Q231-R386 PolarHBondContact O-NH2 2.66Å; Q231-N387 PolarHBondContact O-ND2 3.47Å
232Q97.7Very high97.9Very high29 Ų2937.1 Ų37.114%0.13620%0.199CC..G310 helixtrans-98.5-2.3175.7-62.7-61109.300112.8F226 D229 P230 R235 N387F226-Q232 HydrophobicContact CD1-CB 4.38Å; D229-Q232 HydrophobicContact CB-CB 4.33Å; D229-Q232 HydrophobicContact CB-CG 4.38Å; D229-Q232 PolarHBondContact O-N 2.91Å; D229-Q232 WeakPolarHBondContact OD2-CG 3.27Å; P230-Q232 PolarHBondContact O-N 3.42Å; Q232-R235 VanDerWaalsContact O-CZ 3.23Å; Q232-R235 PolarHBondContact O-NE 2.74Å; Q232-R235 PolarHBondContact O-NH2 2.93Å; Q232-N387 WeakPolarHBondContact CA-ND2 3.31Å; Q232-N387 VanDerWaalsContact CD-OD1 3.24Å; Q232-N387 PolarHBondContact NE2-OD1 3.14Å; Q232-N387 PolarHBondContact OE1-OD1 3.45Å
233A98.3Very high97.9Very high0 Ų036.7 Ų36.70%020%0.198CC..THydrogen-bonded Turntrans-71.7-50.9-167.400000114.4V57 F226 P230 V245V57-A233 HydrophobicContact CG2-CB 3.75Å; F226-A233 HydrophobicContact CB-CB 3.79Å; P230-A233 VanDerWaalsContact O-CB 3.26Å; P230-A233 WeakPolarHBondContact O-CB 3.03Å; P230-A233 PolarHBondContact O-N 2.91Å; A233-V245 HydrophobicContact CB-CG2 3.64Å
234S98.5Very high97.9Very high1 Ų137 Ų371%0.00720%0.199CC..  trans-82.3126.6172.3-174.40000109.7S321 K355 G356 N387S234-S321 PolarHBondContact OG-OG 3.45Å; S234-S321 VanDerWaalsContact OG-OG 3.07Å; S234-K355 VanDerWaalsContact CB-O 3.26Å; S234-K355 WeakPolarHBondContact CB-O 3.39Å; S234-K355 VanDerWaalsContact OG-C 3.29Å; S234-K355 PolarHBondContact OG-O 3.41Å; S234-K355 VanDerWaalsContact OG-O 3.06Å; S234-G356 WeakPolarHBondContact O-CA 3.37Å; S234-N387 PolarHBondContact O-ND2 2.81Å
235R98.3Very high98Very high13 Ų1334 Ų345%0.04918%0.181CC..  trans-150.570.6-171.152.3177.164.2-160.67.2111F226 Q232 F237 D238 E240 R241 S321 N387F226-R235 VanDerWaalsContact CE1-CZ 3.46Å; F226-R235 VanDerWaalsContact CE2-NE 3.3Å; Q232-R235 VanDerWaalsContact O-CZ 3.23Å; Q232-R235 PolarHBondContact O-NE 2.74Å; Q232-R235 PolarHBondContact O-NH2 2.93Å; R235-F237 PolarHBondContact O-N 2.95Å; R235-D238 HydrophobicContact CB-CB 3.84Å; R235-D238 HydrophobicContact CG-CB 4.15Å; R235-D238 IonicContact NH1-OD1 3.34Å; R235-D238 PolarHBondContact NH1-OD1 2.8Å; R235-D238 WeakPolarHBondContact O-CB 3.22Å; R235-D238 PolarHBondContact O-N 3.15Å; R235-E240 VanDerWaalsContact NH1-CB 3.33Å; R235-R241 HydrophobicContact CG-CB 3.81Å; R235-S321 VanDerWaalsContact C-OG 3.31Å; R235-S321 PolarHBondContact N-OG 2.99Å; R235-N387 HydrophobicContact CB-CB 3.64Å
236P98.3Very high98Very high0 Ų029.2 Ų29.20%016%0.16CC..THydrogen-bonded Turntrans-51.7133.2-178.9-26.336.8000111.5D238 A319 S321 K355P236-D238 PolarHBondContact O-N 2.92Å; P236-A319 HydrophobicContact CB-CB 3.84Å; P236-A319 WeakPolarHBondContact CG-O 3.42Å; P236-S321 WeakPolarHBondContact CD-OG 3.43Å; P236-K355 HydrophobicContact CG-CB 4.28Å
237F98.3Very high98Very high0 Ų027.8 Ų27.80%015%0.154CC..THydrogen-bonded Turntrans65.7-3.7178.9-38.6-73.8000117.1R235 A317 A319 D326 T330 V351 N385 L388 D392 V393 F399R235-F237 PolarHBondContact O-N 2.95Å; F237-A317 HydrophobicContact CE2-CB 4.47Å; F237-A317 HydrophobicContact CZ-CB 3.72Å; F237-A319 HydrophobicContact CD1-CB 4.32Å; F237-A319 HydrophobicContact CD2-CB 4.4Å; F237-A319 HydrophobicContact CE1-CB 3.5Å; F237-A319 VanDerWaalsContact CE1-CB 3.5Å; F237-A319 HydrophobicContact CE2-CB 3.62Å; F237-A319 HydrophobicContact CZ-CB 3.13Å; F237-D326 HydrophobicContact CD1-CB 3.82Å; F237-D326 HydrophobicContact CE1-CB 4.24Å; F237-D326 PolarHBondContact N-OD2 3.4Å; F237-T330 HydrophobicContact CD1-CG2 3.68Å; F237-T330 HydrophobicContact CE1-CG2 3.52Å; F237-T330 HydrophobicContact CZ-CG2 4.48Å; F237-V351 HydrophobicContact CE2-CG1 4.41Å; F237-V351 HydrophobicContact CZ-CG1 4.1Å; F237-N385 WeakPolarHBondContact CD2-ND2 3.36Å; F237-L388 HydrophobicContact CB-CD1 4.09Å; F237-D392 PolarHBondContact O-N 3.47Å; F237-V393 HydrophobicContact CB-CG1 3.98Å; F237-V393 HydrophobicContact CD1-CG1 3.88Å; F237-V393 HydrophobicContact CG-CG1 4.4Å; F237-F399 HydrophobicContact CB-CE1 4.2Å; F237-F399 HydrophobicContact CB-CE2 4.41Å; F237-F399 HydrophobicContact CB-CZ 3.85Å; F237-F399 AromaticContact CD1-CE1 3.94Å; F237-F399 HydrophobicContact CD1-CE1 3.94Å; F237-F399 AromaticContact CD1-CZ 3.93Å; F237-F399 HydrophobicContact CD1-CZ 3.93Å; F237-F399 AromaticContact CD2-CD1 3.96Å; F237-F399 HydrophobicContact CD2-CD1 3.96Å; F237-F399 AromaticContact CD2-CE1 3.4Å; F237-F399 HydrophobicContact CD2-CE1 3.4Å; F237-F399 VanDerWaalsContact CD2-CE1 3.4Å; F237-F399 AromaticContact CD2-CZ 3.96Å; F237-F399 HydrophobicContact CD2-CZ 3.96Å; F237-F399 HydrophobicContact CE1-CE1 4.08Å; F237-F399 HydrophobicContact CE1-CZ 4.42Å; F237-F399 HydrophobicContact CE2-CD1 4.08Å; F237-F399 AromaticContact CE2-CE1 3.54Å; F237-F399 HydrophobicContact CE2-CE1 3.54Å; F237-F399 HydrophobicContact CE2-CZ 4.43Å; F237-F399 HydrophobicContact CG-CD1 4.48Å; F237-F399 AromaticContact CG-CE1 3.57Å; F237-F399 HydrophobicContact CG-CE1 3.57Å; F237-F399 AromaticContact CG-CZ 3.64Å; F237-F399 HydrophobicContact CG-CZ 3.64Å; F237-F399 AromaticContact CZ-CE1 3.84Å; F237-F399 HydrophobicContact CZ-CE1 3.84Å
238D98.3Very high98.1Very high2 Ų225.9 Ų25.91%0.01114%0.143CC..BIsolated β-bridgetrans-74.3145-179.6-172.5-103.5000111.8R235 P236 E240 R241 L388 K389 K390R235-D238 HydrophobicContact CB-CB 3.84Å; R235-D238 HydrophobicContact CG-CB 4.15Å; R235-D238 IonicContact NH1-OD1 3.34Å; R235-D238 PolarHBondContact NH1-OD1 2.8Å; R235-D238 WeakPolarHBondContact O-CB 3.22Å; R235-D238 PolarHBondContact O-N 3.15Å; P236-D238 PolarHBondContact O-N 2.92Å; D238-E240 PolarHBondContact O-N 3.31Å; D238-E240 VanDerWaalsContact O-N 3.12Å; D238-E240 WeakPolarHBondContact OD1-CB 3.2Å; D238-E240 PolarHBondContact OD1-N 2.83Å; D238-R241 WeakPolarHBondContact O-CB 3.41Å; D238-R241 VanDerWaalsContact O-CD 3.25Å; D238-R241 WeakPolarHBondContact O-CD 3.23Å; D238-R241 WeakPolarHBondContact O-CG 3.44Å; D238-R241 PolarHBondContact O-N 3.03Å; D238-R241 VanDerWaalsContact O-N 3.15Å; D238-R241 PolarHBondContact O-NH1 3.32Å; D238-L388 HydrophobicContact CB-CD1 4.18Å; D238-K389 PolarHBondContact OD2-N 3Å; D238-K390 CarbonylContact C-O 3.53Å; D238-K390 WeakPolarHBondContact CA-O 3.5Å; D238-K390 PolarHBondContact OD2-N 2.86Å
239S97.6Very high98.1Very high26 Ų2620.1 Ų20.118%0.18210%0.103CC..THydrogen-bonded Turntrans-59.1-26.5-178.865.40000114.1K390 D392S239-K390 PolarHBondContact N-O 2.88Å; S239-D392 VanDerWaalsContact CA-CB 3.4Å
240E97.9Very high98.2Very high87 Ų8716.6 Ų16.641%0.4078%0.084SC..THydrogen-bonded Turntrans-95.56.9-175.7-62.8-73.887.100113.1K225 F226 R235 D238K225-E240 WeakPolarHBondContact CE-OE2 3.39Å; K225-E240 IonicContact NZ-OE1 2.94Å; K225-E240 PolarHBondContact NZ-OE1 3.16Å; K225-E240 IonicContact NZ-OE2 3.39Å; K225-E240 PolarHBondContact NZ-OE2 3.41Å; F226-E240 WeakPolarHBondContact CE2-O 3.43Å; F226-E240 HydrophobicContact CZ-CB 4.12Å; R235-E240 VanDerWaalsContact NH1-CB 3.33Å; D238-E240 PolarHBondContact O-N 3.31Å; D238-E240 VanDerWaalsContact O-N 3.12Å; D238-E240 WeakPolarHBondContact OD1-CB 3.2Å; D238-E240 PolarHBondContact OD1-N 2.83Å
241R97.8Very high98.2Very high3 Ų315.5 Ų15.51%0.0118%0.077CC..  trans-64.1137.5178.376.2-166.6177.8-74.65.1112.6R235 D238 S321 K323 D326 D392R235-R241 HydrophobicContact CG-CB 3.81Å; D238-R241 WeakPolarHBondContact O-CB 3.41Å; D238-R241 VanDerWaalsContact O-CD 3.25Å; D238-R241 WeakPolarHBondContact O-CD 3.23Å; D238-R241 WeakPolarHBondContact O-CG 3.44Å; D238-R241 PolarHBondContact O-N 3.03Å; D238-R241 VanDerWaalsContact O-N 3.15Å; D238-R241 PolarHBondContact O-NH1 3.32Å; R241-S321 WeakPolarHBondContact CB-O 3.36Å; R241-K323 HydrophobicContact CG-CG 4.26Å; R241-K323 WeakPolarHBondContact O-CE 3.3Å; R241-D326 WeakPolarHBondContact CD-OD2 3.32Å; R241-D326 IonicContact NE-OD2 3.81Å; R241-D326 PolarHBondContact NE-OD2 2.84Å; R241-D392 IonicContact CZ-OD2 2.77Å; R241-D392 PolarHBondContact NH1-O 2.89Å; R241-D392 VanDerWaalsContact NH1-O 3.1Å; R241-D392 IonicContact NH1-OD2 2.71Å; R241-D392 PolarHBondContact NH1-OD2 2.89Å; R241-D392 PolarHBondContact NH2-O 3.28Å; R241-D392 IonicContact NH2-OD2 3.26Å
242D97.2Very high98.3Very high46 Ų4610.6 Ų10.625%0.2465%0.054CC..  trans-135.99.4-175.772.9-41.8000114.3C223 T224 K225C223-D242 PolarHBondContact SG-OD1 3.31Å; T224-D242 PolarHBondContact N-OD2 3.46Å; T224-D242 PolarHBondContact OG1-OD2 3.09Å; K225-D242 HydrophobicContact CB-CB 4.46Å; K225-D242 VanDerWaalsContact CB-OD2 3.25Å; K225-D242 WeakPolarHBondContact CB-OD2 3.3Å; K225-D242 PolarHBondContact N-OD2 3.44Å
243G97.9Very high98.3Very high3 Ų39.2 Ų9.23%0.0315%0.048CC..SBendtrans147.2170.6-178.500000112.2A221 S321A221-G243 CarbonylContact O-C 3.56Å; A221-G243 VanDerWaalsContact O-CA 3.3Å; A221-G243 WeakPolarHBondContact O-CA 3.41Å; G243-S321 PolarHBondContact N-O 3.13Å; G243-S321 WeakPolarHBondContact O-CB 3.36Å
244F98.3Very high98.4Very high7 Ų79.2 Ų9.23%0.0315%0.048CC..BIsolated β-bridgetrans-83.2161.6179.177.9-95.2000111.7F216 A221 L222 C223 M246 T320 H360 L362F216-F244 HydrophobicContact CB-CZ 4.41Å; F216-F244 AromaticContact CD1-CE1 4Å; F216-F244 HydrophobicContact CD1-CE1 4Å; F216-F244 AromaticContact CD1-CZ 3.74Å; F216-F244 HydrophobicContact CD1-CZ 3.74Å; F216-F244 HydrophobicContact CD2-CZ 4.26Å; F216-F244 HydrophobicContact CE1-CE1 4.37Å; F216-F244 AromaticContact CE1-CZ 3.99Å; F216-F244 HydrophobicContact CE1-CZ 3.99Å; F216-F244 HydrophobicContact CE2-CZ 4.49Å; F216-F244 HydrophobicContact CG-CE1 4.46Å; F216-F244 AromaticContact CG-CZ 3.9Å; F216-F244 HydrophobicContact CG-CZ 3.9Å; F216-F244 HydrophobicContact CZ-CZ 4.36Å; A221-F244 HydrophobicContact CB-CD1 4.08Å; A221-F244 HydrophobicContact CB-CE1 3.62Å; A221-F244 WeakPolarHBondContact O-CD1 3.4Å; A221-F244 PolarHBondContact O-N 2.97Å; L222-F244 WeakPolarHBondContact CA-O 3.45Å; L222-F244 HydrophobicContact CD2-CD1 4.18Å; L222-F244 HydrophobicContact CD2-CD2 3.91Å; L222-F244 HydrophobicContact CD2-CE1 3.76Å; L222-F244 HydrophobicContact CD2-CE2 3.48Å; L222-F244 VanDerWaalsContact CD2-CE2 3.48Å; L222-F244 HydrophobicContact CD2-CG 4.25Å; L222-F244 HydrophobicContact CD2-CZ 3.38Å; C223-F244 PolarHBondContact N-O 3.48Å; F244-M246 HydrophobicContact CD2-CG 4.4Å; F244-M246 HydrophobicContact CE2-CB 4.42Å; F244-M246 HydrophobicContact CE2-CG 3.56Å; F244-M246 HydrophobicContact CZ-CG 4.25Å; F244-T320 WeakPolarHBondContact CA-O 3.28Å; F244-T320 WeakPolarHBondContact CB-O 3.4Å; F244-H360 HydrophobicContact CB-CB 4.26Å; F244-H360 HydrophobicContact CD2-CB 3.81Å; F244-H360 AromaticContact CD2-CD2 3.98Å; F244-H360 HydrophobicContact CG-CB 4.37Å; F244-L362 HydrophobicContact CE2-CD2 3.99Å; F244-L362 HydrophobicContact CZ-CD2 4.14Å
245V98.7Very high98.4Very high2 Ų29.2 Ų9.21%0.0125%0.048CC..  trans-105.2125.6170.3174.70000107.8I42 V57 C223 A233 G247 H360I42-V245 HydrophobicContact CD1-CB 4.43Å; I42-V245 HydrophobicContact CD1-CG1 4.3Å; I42-V245 HydrophobicContact CD1-CG2 4.46Å; I42-V245 HydrophobicContact CG1-CG1 4.33Å; I42-V245 HydrophobicContact CG2-CG1 3.76Å; V57-V245 HydrophobicContact CG2-CG1 4.29Å; V57-V245 HydrophobicContact CG2-CG2 4.07Å; C223-V245 HydrophobicContact CB-CG2 4.07Å; A233-V245 HydrophobicContact CB-CG2 3.64Å; V245-G247 PolarHBondContact O-N 3.12Å; V245-H360 PolarHBondContact O-N 2.79Å
246M98.2Very high98.4Very high2 Ų28.6 Ų8.61%0.015%0.045CC..EExtended strand (participates in β ladder)trans-63.9133.1177.7-72.3-179.773.100110.6A58 A59 S207 I208 C212 V213 F216 L222 F244 L362A58-M246 CarbonylContact C-O 3.46Å; A58-M246 VanDerWaalsContact CA-O 3.29Å; A58-M246 WeakPolarHBondContact CA-O 3.4Å; A58-M246 WeakPolarHBondContact CB-O 3.33Å; A59-M246 PolarHBondContact N-O 3.32Å; S207-M246 WeakPolarHBondContact O-CE 3.22Å; I208-M246 HydrophobicContact CG1-CB 4.26Å; C212-M246 HydrophobicContact CB-CE 3.78Å; V213-M246 HydrophobicContact CB-SD 4.45Å; V213-M246 HydrophobicContact CG2-SD 3.73Å; F216-M246 HydrophobicContact CD2-CE 3.98Å; F216-M246 HydrophobicContact CD2-SD 3.83Å; F216-M246 HydrophobicContact CE2-CE 4.12Å; L222-M246 HydrophobicContact CD1-CG 4.35Å; L222-M246 HydrophobicContact CD1-SD 4.01Å; L222-M246 HydrophobicContact CD2-CG 3.66Å; L222-M246 HydrophobicContact CD2-SD 4.21Å; F244-M246 HydrophobicContact CD2-CG 4.4Å; F244-M246 HydrophobicContact CE2-CB 4.42Å; F244-M246 HydrophobicContact CE2-CG 3.56Å; F244-M246 HydrophobicContact CZ-CG 4.25Å; M246-L362 HydrophobicContact CE-CD1 4.15Å
247G98.5Very high98.4Very high0 Ų010.3 Ų10.30%05%0.053CC..EExtended strand (participates in β ladder)trans-124.2162.7171.700000111.9A59 V245 H360A59-G247 VanDerWaalsContact O-CA 3.32Å; A59-G247 WeakPolarHBondContact O-CA 3.36Å; V245-G247 PolarHBondContact O-N 3.12Å; G247-H360 PolarHBondContact N-O 3.37Å
248E98.5Very high98.4Very high2 Ų210.9 Ų10.91%0.0096%0.056CC..  trans-129162.6170.867.1-178.9175.200110.6P23 A59 L60 V61 R63 F89 E205 S206 I208P23-E248 WeakPolarHBondContact CD-O 3.49Å; A59-E248 PolarHBondContact O-N 3.35Å; A59-E248 VanDerWaalsContact O-N 3.13Å; L60-E248 VanDerWaalsContact CD2-OE1 3.28Å; L60-E248 WeakPolarHBondContact CD2-OE1 3.42Å; V61-E248 HydrophobicContact CB-CG 4.45Å; V61-E248 HydrophobicContact CG2-CG 3.98Å; V61-E248 WeakPolarHBondContact CG2-O 3.5Å; V61-E248 PolarHBondContact N-OE1 3.25Å; R63-E248 IonicContact CZ-OE1 3.55Å; R63-E248 VanDerWaalsContact NH2-CD 3.33Å; R63-E248 IonicContact NH2-OE1 3.49Å; R63-E248 PolarHBondContact NH2-OE1 2.9Å; R63-E248 IonicContact NH2-OE2 2.76Å; F89-E248 HydrophobicContact CE2-CB 4.35Å; F89-E248 HydrophobicContact CE2-CG 4.18Å; E205-E248 WeakPolarHBondContact O-CB 3.32Å; S206-E248 PolarHBondContact OG-OE2 3.48Å; I208-E248 HydrophobicContact CD1-CB 3.9Å; I208-E248 HydrophobicContact CD1-CG 3.87Å; I208-E248 HydrophobicContact CG1-CB 4.39Å
249G98.7Very high98.4Very high0 Ų015.6 Ų15.60%08%0.078CC..EExtended strand (participates in β ladder)trans153.5-171.6179.100000113.5V21 A204 E205 A364V21-G249 CarbonylContact O-C 3.58Å; V21-G249 WeakPolarHBondContact O-CA 3.29Å; A204-G249 CarbonylContact C-O 3.5Å; A204-G249 WeakPolarHBondContact CA-O 3.44Å; E205-G249 PolarHBondContact N-O 3.29Å; E205-G249 PolarHBondContact O-N 3.46Å; G249-A364 VanDerWaalsContact O-CB 3.3Å; G249-A364 WeakPolarHBondContact O-CB 3.45Å
250A98.9Very high98.4Very high0 Ų016.2 Ų16.20%08%0.078CC..EExtended strand (participates in β ladder)trans-143.9143.417500000110.5A20 V21 F89 A93 S203 A204A20-A250 WeakPolarHBondContact CA-O 3.32Å; V21-A250 HydrophobicContact CB-CB 4.35Å; V21-A250 PolarHBondContact N-O 2.88Å; V21-A250 PolarHBondContact O-N 3.49Å; F89-A250 HydrophobicContact CB-CB 3.72Å; A93-A250 HydrophobicContact CB-CB 3.93Å; S203-A250 WeakPolarHBondContact O-CA 3.29Å; A204-A250 HydrophobicContact CB-CB 3.56Å
251G98.9Very high98.5Very high0 Ų012.1 Ų12.10%06%0.059CC..EExtended strand (participates in β ladder)trans-128127167.600000108.8G202 S203 S367G202-G251 WeakPolarHBondContact CA-O 3.34Å; S203-G251 PolarHBondContact N-O 3.2Å; S203-G251 PolarHBondContact O-N 3.26Å; G251-S367 VanDerWaalsContact O-CB 3.27Å; G251-S367 WeakPolarHBondContact O-CB 3.49Å; G251-S367 PolarHBondContact O-OG 3.14Å
252V99Very high98.5Very high0 Ų016.2 Ų16.20%08%0.081CC..EExtended strand (participates in β ladder)trans-127.2133.4176.8-178.50000108.9G19 A93 A94 A97 I118 I200 C201G19-V252 PolarHBondContact N-O 2.85Å; G19-V252 PolarHBondContact O-N 3.43Å; A93-V252 HydrophobicContact CB-CB 4.18Å; A93-V252 HydrophobicContact CB-CG2 3.72Å; A94-V252 HydrophobicContact CB-CG1 4.1Å; A94-V252 HydrophobicContact CB-CG2 4.27Å; A97-V252 HydrophobicContact CB-CB 4.16Å; A97-V252 HydrophobicContact CB-CG1 3.92Å; I118-V252 HydrophobicContact CD1-CG1 4.32Å; I118-V252 HydrophobicContact CD1-CG2 4.16Å; I200-V252 HydrophobicContact CG2-CG1 3.69Å; C201-V252 CarbonylContact O-C 3.58Å; C201-V252 WeakPolarHBondContact O-CA 3.39Å
253L98.9Very high98.5Very high0 Ų020.7 Ų20.70%010%0.1CC..EExtended strand (participates in β ladder)trans-120.7145.6175.1-59.385.8000108.8V15 G17 I184 C201 T370 I371V15-L253 HydrophobicContact CG1-CB 4.5Å; V15-L253 HydrophobicContact CG1-CD2 4.03Å; V15-L253 HydrophobicContact CG2-CD2 4.18Å; G17-L253 CarbonylContact O-C 3.59Å; G17-L253 WeakPolarHBondContact O-CA 3.45Å; I184-L253 HydrophobicContact CD1-CD1 3.52Å; I184-L253 HydrophobicContact CG1-CD1 4.14Å; C201-L253 PolarHBondContact N-O 3.25Å; C201-L253 PolarHBondContact O-N 3.03Å; L253-T370 HydrophobicContact CD2-CG2 3.84Å; L253-I371 HydrophobicContact CD1-CD1 4.22Å; L253-I371 HydrophobicContact CD1-CG1 3.75Å; L253-I371 HydrophobicContact CD2-CG1 4.1Å; L253-I371 HydrophobicContact CG-CD1 4.4Å; L253-I371 HydrophobicContact CG-CG1 3.69Å
254I98.9Very high98.5Very high0 Ų023.6 Ų23.60%011%0.11CC..EExtended strand (participates in β ladder)trans-95.7107.7165-51.1-50.2000106.9V15 T16 G17 A97 L98 A101 V198 I200V15-I254 WeakPolarHBondContact CA-O 3.43Å; T16-I254 PolarHBondContact N-O 2.97Å; G17-I254 PolarHBondContact O-N 3.5Å; A97-I254 HydrophobicContact CB-CD1 3.97Å; A97-I254 HydrophobicContact CB-CG1 3.99Å; A97-I254 VanDerWaalsContact O-CG1 3.29Å; A97-I254 WeakPolarHBondContact O-CG1 3.49Å; L98-I254 HydrophobicContact CD2-CD1 3.84Å; L98-I254 HydrophobicContact CG-CD1 4.08Å; A101-I254 HydrophobicContact CB-CB 3.85Å; A101-I254 HydrophobicContact CB-CG1 3.69Å; A101-I254 HydrophobicContact CB-CG2 3.92Å; V198-I254 HydrophobicContact CG1-CG2 3.54Å; I200-I254 HydrophobicContact CB-CD1 4.33Å; I200-I254 HydrophobicContact CG1-CD1 3.91Å; I200-I254 HydrophobicContact CG2-CD1 4.3Å
255L98.9Very high98.5Very high0 Ų030.5 Ų30.50%015%0.148CC..EExtended strand (participates in β ladder)trans-89.4143.2167.6-67.5-171.1000109.6V13 V14 V15 I184 A187 F188 I191 V198 M199 C201 V272V13-L255 HydrophobicContact CG1-CB 3.95Å; V13-L255 HydrophobicContact CG1-CD1 4.26Å; V13-L255 HydrophobicContact CG1-CD2 4.49Å; V13-L255 HydrophobicContact CG1-CG 4.47Å; V14-L255 CarbonylContact O-C 3.53Å; V14-L255 VanDerWaalsContact O-CA 3.32Å; V14-L255 WeakPolarHBondContact O-CA 3.44Å; V15-L255 HydrophobicContact CB-CD2 4.43Å; V15-L255 HydrophobicContact CG2-CD2 3.66Å; I184-L255 HydrophobicContact CG2-CD1 3.94Å; A187-L255 HydrophobicContact CB-CD1 4.12Å; F188-L255 HydrophobicContact CB-CD1 4.14Å; I191-L255 HydrophobicContact CD1-CB 3.71Å; V198-L255 CarbonylContact C-O 3.51Å; V198-L255 WeakPolarHBondContact CA-O 3.45Å; M199-L255 HydrophobicContact CB-CB 4.4Å; M199-L255 PolarHBondContact N-O 3.03Å; M199-L255 PolarHBondContact O-N 3.05Å; C201-L255 VanDerWaalsContact SG-CG 3.59Å; L255-V272 HydrophobicContact CD2-CG2 3.84Å
256E98.8Very high98.5Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-147.6144.4-173.5-171.4163.717600111.4V13 V14 T16 N197 V198 L258 H260 A261 R264V13-E256 CarbonylContact C-O 3.45Å; V13-E256 WeakPolarHBondContact CA-O 3.15Å; V14-E256 HydrophobicContact CG2-CB 4.42Å; V14-E256 WeakPolarHBondContact CG2-O 3.17Å; V14-E256 PolarHBondContact N-O 2.9Å; V14-E256 PolarHBondContact O-N 3.22Å; T16-E256 WeakPolarHBondContact CB-OE2 3.03Å; T16-E256 HydrophobicContact CG2-CB 3.87Å; T16-E256 HydrophobicContact CG2-CG 4.44Å; T16-E256 VanDerWaalsContact CG2-OE2 3.27Å; T16-E256 WeakPolarHBondContact CG2-OE2 3.27Å; T16-E256 PolarHBondContact OG1-OE2 3.11Å; N197-E256 CarbonylContact O-C 3.52Å; N197-E256 VanDerWaalsContact O-CA 3.31Å; N197-E256 WeakPolarHBondContact O-CA 3.4Å; V198-E256 HydrophobicContact CG2-CG 3.98Å; E256-L258 PolarHBondContact O-N 2.82Å; E256-H260 IonicContact OE1-CE1 2.98Å; E256-H260 PolarHBondContact OE1-CE1 3.44Å; E256-H260 IonicContact OE1-CG 3.13Å; E256-H260 IonicContact OE1-ND1 3.43Å; E256-H260 PolarHBondContact OE1-ND1 2.87Å; E256-A261 HydrophobicContact CB-CB 4.42Å; E256-A261 HydrophobicContact CG-CB 3.9Å; E256-A261 WeakPolarHBondContact OE1-CA 3.44Å; E256-A261 PolarHBondContact OE1-N 2.85Å; E256-R264 WeakPolarHBondContact OE1-CD 3.47Å; E256-R264 IonicContact OE1-CZ 2.98Å; E256-R264 IonicContact OE1-NE 2.64Å; E256-R264 PolarHBondContact OE1-NE 3.31Å; E256-R264 IonicContact OE1-NH2 3.82Å; E256-R264 IonicContact OE2-CZ 3.44Å; E256-R264 IonicContact OE2-NE 2.9Å; E256-R264 PolarHBondContact OE2-NE 3.5Å; E256-R264 IonicContact OE2-NH2 3.35Å; E256-R264 PolarHBondContact OE2-NH2 2.97Å
257E98.6Very high98.5Very high36 Ų3637.8 Ų37.817%0.16818%0.178CC..EExtended strand (participates in β ladder)trans-61.9130.3170.3-168.1-83.2131.800110V11 I191 N197 Q259 H260 A261V11-E257 HydrophobicContact CG1-CB 4.46Å; V11-E257 HydrophobicContact CG1-CG 3.44Å; V11-E257 VanDerWaalsContact CG1-CG 3.44Å; I191-E257 HydrophobicContact CG2-CB 3.81Å; I191-E257 HydrophobicContact CG2-CG 4.31Å; N197-E257 PolarHBondContact O-N 3.01Å; E257-Q259 VanDerWaalsContact CD-N 3.28Å; E257-Q259 PolarHBondContact O-N 3.06Å; E257-Q259 WeakPolarHBondContact OE1-CB 3.47Å; E257-Q259 PolarHBondContact OE1-N 2.77Å; E257-Q259 WeakPolarHBondContact OE2-CB 3.25Å; E257-Q259 PolarHBondContact OE2-N 2.94Å; E257-H260 HydrophobicContact CB-CB 4.18Å; E257-H260 WeakPolarHBondContact O-CB 3.14Å; E257-H260 PolarHBondContact O-N 3.45Å; E257-H260 WeakPolarHBondContact OE2-CB 3.13Å; E257-H260 PolarHBondContact OE2-N 3.39Å; E257-A261 PolarHBondContact O-N 3.45Å
258L98.4Very high98.5Very high13 Ų1339.1 Ų39.17%0.06819%0.185CC..Hα-helixtrans-57.8-46.1-170.6173.463.8000112.6R12 V14 E256 H260 A261 L262 I268 M438R12-L258 HydrophobicContact CB-CB 3.78Å; R12-L258 HydrophobicContact CB-CD2 3.87Å; R12-L258 HydrophobicContact CG-CD2 4.44Å; R12-L258 PolarHBondContact O-N 3.31Å; V14-L258 HydrophobicContact CG1-CB 4.31Å; V14-L258 HydrophobicContact CG1-CD1 3.71Å; V14-L258 HydrophobicContact CG2-CD1 4.39Å; E256-L258 PolarHBondContact O-N 2.82Å; L258-H260 VanDerWaalsContact C-N 3.35Å; L258-H260 PolarHBondContact O-N 3.34Å; L258-A261 WeakPolarHBondContact O-CB 3.22Å; L258-A261 PolarHBondContact O-N 3Å; L258-L262 HydrophobicContact CD1-CD1 3.97Å; L258-L262 HydrophobicContact CD1-CD2 4.43Å; L258-L262 HydrophobicContact CD1-CG 3.95Å; L258-L262 HydrophobicContact CG-CD1 3.95Å; L258-L262 HydrophobicContact CG-CG 4.34Å; L258-L262 VanDerWaalsContact O-CG 3.27Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 3.19Å; L258-I268 HydrophobicContact CD1-CD1 3.78Å; L258-M438 HydrophobicContact CD1-CE 3.76Å
259Q97.7Very high98.5Very high101 Ų10139.7 Ų39.747%0.47219%0.187SC..Hα-helixtrans-64.2-42.9-177.7-176.157.828.500110.9E257 A261 L262 E263E257-Q259 VanDerWaalsContact CD-N 3.28Å; E257-Q259 PolarHBondContact O-N 3.06Å; E257-Q259 WeakPolarHBondContact OE1-CB 3.47Å; E257-Q259 PolarHBondContact OE1-N 2.77Å; E257-Q259 WeakPolarHBondContact OE2-CB 3.25Å; E257-Q259 PolarHBondContact OE2-N 2.94Å; Q259-A261 PolarHBondContact O-N 2.97Å; Q259-L262 PolarHBondContact O-N 2.78Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.36Å; Q259-E263 PolarHBondContact NE2-OE1 2.83Å; Q259-E263 VanDerWaalsContact NE2-OE1 3.12Å; Q259-E263 WeakPolarHBondContact O-CB 3.41Å; Q259-E263 VanDerWaalsContact O-CG 3.3Å; Q259-E263 WeakPolarHBondContact O-CG 3.31Å; Q259-E263 PolarHBondContact O-N 3Å
260H98.3Very high98.5Very high39 Ų3939.7 Ų39.718%0.18119%0.187CC..Hα-helixtrans-59.5-44.5172.7-177.4-85.1000112.2W103 E256 E257 L258 L262 E263 R264W103-H260 AromaticContact CH2-CE1 3.44Å; W103-H260 VanDerWaalsContact CH2-CE1 3.44Å; W103-H260 WeakPolarHBondContact CH2-CE1 3.35Å; W103-H260 AromaticContact CH2-NE2 3.68Å; W103-H260 AromaticContact CZ3-CE1 3.53Å; E256-H260 IonicContact OE1-CE1 2.98Å; E256-H260 PolarHBondContact OE1-CE1 3.44Å; E256-H260 IonicContact OE1-CG 3.13Å; E256-H260 IonicContact OE1-ND1 3.43Å; E256-H260 PolarHBondContact OE1-ND1 2.87Å; E257-H260 HydrophobicContact CB-CB 4.18Å; E257-H260 WeakPolarHBondContact O-CB 3.14Å; E257-H260 PolarHBondContact O-N 3.45Å; E257-H260 WeakPolarHBondContact OE2-CB 3.13Å; E257-H260 PolarHBondContact OE2-N 3.39Å; L258-H260 VanDerWaalsContact C-N 3.35Å; L258-H260 PolarHBondContact O-N 3.34Å; H260-L262 PolarHBondContact O-N 2.74Å; H260-E263 PolarHBondContact O-N 2.85Å; H260-R264 PolarHBondContact O-N 2.8Å
261A98.6Very high98.5Very high0 Ų040.1 Ų40.10%019%0.189CC..Hα-helixtrans-60.7-43.3175.700000112.1V14 T16 E256 E257 L258 Q259 N265 A266V14-A261 HydrophobicContact CG2-CB 3.8Å; T16-A261 HydrophobicContact CG2-CB 3.84Å; E256-A261 HydrophobicContact CB-CB 4.42Å; E256-A261 HydrophobicContact CG-CB 3.9Å; E256-A261 WeakPolarHBondContact OE1-CA 3.44Å; E256-A261 PolarHBondContact OE1-N 2.85Å; E257-A261 PolarHBondContact O-N 3.45Å; L258-A261 WeakPolarHBondContact O-CB 3.22Å; L258-A261 PolarHBondContact O-N 3Å; Q259-A261 PolarHBondContact O-N 2.97Å; A261-N265 PolarHBondContact O-N 3.25Å; A261-N265 VanDerWaalsContact O-N 3.17Å; A261-A266 HydrophobicContact CB-CB 4.06Å; A261-A266 WeakPolarHBondContact O-CB 3.23Å; A261-A266 PolarHBondContact O-N 3.47Å
262L98.1Very high98.5Very high89 Ų8940.2 Ų40.247%0.46619%0.19SC..Hα-helixtrans-66.1-42.9177.7-69.3173.9000112L258 Q259 H260 R264 N265 I268L258-L262 HydrophobicContact CD1-CD1 3.97Å; L258-L262 HydrophobicContact CD1-CD2 4.43Å; L258-L262 HydrophobicContact CD1-CG 3.95Å; L258-L262 HydrophobicContact CG-CD1 3.95Å; L258-L262 HydrophobicContact CG-CG 4.34Å; L258-L262 VanDerWaalsContact O-CG 3.27Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 3.19Å; Q259-L262 PolarHBondContact O-N 2.78Å; H260-L262 PolarHBondContact O-N 2.74Å; L262-R264 VanDerWaalsContact C-N 3.27Å; L262-R264 PolarHBondContact O-N 3.44Å; L262-N265 PolarHBondContact O-N 3.4Å; L262-I268 HydrophobicContact CD2-CD1 4.22Å
263E98Very high98.4Very high140 Ų14041.5 Ų41.565%0.65420%0.196SC*.Hα-helixtrans-59.7-36.7-180-79171.6-169.700112.9Q259 H260Q259-E263 WeakPolarHBondContact CG-OE1 3.36Å; Q259-E263 PolarHBondContact NE2-OE1 2.83Å; Q259-E263 VanDerWaalsContact NE2-OE1 3.12Å; Q259-E263 WeakPolarHBondContact O-CB 3.41Å; Q259-E263 VanDerWaalsContact O-CG 3.3Å; Q259-E263 WeakPolarHBondContact O-CG 3.31Å; Q259-E263 PolarHBondContact O-N 3Å; H260-E263 PolarHBondContact O-N 2.85Å
264R97.6Very high98.4Very high65 Ų6541.5 Ų41.525%0.24520%0.196CC..THydrogen-bonded Turntrans-94.17.1175.775.9179.2-171.382-1.9114.2A101 E256 H260 L262 A266A101-R264 VanDerWaalsContact O-CZ 3.31Å; A101-R264 PolarHBondContact O-NH1 3.47Å; A101-R264 PolarHBondContact O-NH2 3.06Å; E256-R264 WeakPolarHBondContact OE1-CD 3.47Å; E256-R264 IonicContact OE1-CZ 2.98Å; E256-R264 IonicContact OE1-NE 2.64Å; E256-R264 PolarHBondContact OE1-NE 3.31Å; E256-R264 IonicContact OE1-NH2 3.82Å; E256-R264 IonicContact OE2-CZ 3.44Å; E256-R264 IonicContact OE2-NE 2.9Å; E256-R264 PolarHBondContact OE2-NE 3.5Å; E256-R264 IonicContact OE2-NH2 3.35Å; E256-R264 PolarHBondContact OE2-NH2 2.97Å; H260-R264 PolarHBondContact O-N 2.8Å; L262-R264 VanDerWaalsContact C-N 3.27Å; L262-R264 PolarHBondContact O-N 3.44Å; R264-A266 VanDerWaalsContact C-N 3.32Å; R264-A266 HydrophobicContact CG-CB 4.16Å; R264-A266 VanDerWaalsContact CZ-CB 3.42Å; R264-A266 PolarHBondContact O-N 2.9Å
265N97.9Very high98.4Very high152 Ų15242 Ų4281%0.81320%0.198SC*.THydrogen-bonded Turntrans58.639.2178.4-129.60.7000113.7A261 L262A261-N265 PolarHBondContact O-N 3.25Å; A261-N265 VanDerWaalsContact O-N 3.17Å; L262-N265 PolarHBondContact O-N 3.4Å
266A98.3Very high98.4Very high17 Ų1742 Ų4214%0.1420%0.198CC..  trans-66.6146.9179.200000111.7T16 A261 R264T16-A266 HydrophobicContact CG2-CB 3.91Å; A261-A266 HydrophobicContact CB-CB 4.06Å; A261-A266 WeakPolarHBondContact O-CB 3.23Å; A261-A266 PolarHBondContact O-N 3.47Å; R264-A266 VanDerWaalsContact C-N 3.32Å; R264-A266 HydrophobicContact CG-CB 4.16Å; R264-A266 VanDerWaalsContact CZ-CB 3.42Å; R264-A266 PolarHBondContact O-N 2.9Å
267R98.3Very high98.3Very high140 Ų14045.3 Ų45.353%0.52822%0.216SC..  trans-64.5140.2164.6177.8178.5-67.1-169.1-0.8109.1T16 Y269T16-R267 VanDerWaalsContact CA-O 3.23Å; T16-R267 WeakPolarHBondContact CA-O 3.26Å; T16-R267 WeakPolarHBondContact CB-O 3.43Å; T16-R267 WeakPolarHBondContact CG2-O 3.27Å; R267-Y269 HydrophobicContact CG-CE2 4.39Å; R267-Y269 PolarHBondContact NH1-OH 3.21Å
268I98.7Very high98.3Very high27 Ų2744.3 Ų44.314%0.13821%0.213CC..  trans-120.4120.7174.7-60.2170.2000109.4V14 T16 L258 L262 Y378 M438V14-I268 HydrophobicContact CB-CG1 4.41Å; V14-I268 HydrophobicContact CB-CG2 3.77Å; V14-I268 HydrophobicContact CG1-CD1 4.39Å; V14-I268 HydrophobicContact CG1-CG2 3.89Å; V14-I268 HydrophobicContact CG2-CD1 4.28Å; V14-I268 HydrophobicContact CG2-CG1 4.17Å; V14-I268 HydrophobicContact CG2-CG2 4.45Å; T16-I268 HydrophobicContact CG2-CG1 4.43Å; L258-I268 HydrophobicContact CD1-CD1 3.78Å; L262-I268 HydrophobicContact CD2-CD1 4.22Å; I268-Y378 WeakPolarHBondContact O-CE2 3.43Å; I268-M438 HydrophobicContact CB-CG 4.06Å; I268-M438 HydrophobicContact CD1-CE 4.13Å; I268-M438 HydrophobicContact CG2-CG 3.45Å; I268-M438 VanDerWaalsContact CG2-CG 3.45Å; I268-M438 HydrophobicContact CG2-SD 3.59Å; I268-M438 VanDerWaalsContact CG2-SD 3.59Å
269Y98.7Very high98.2Very high14 Ų1446.3 Ų46.36%0.05524%0.236CC..  trans-82.7-47.5175.6-71-76.5000112V15 V18 D100 R267 L375 Y378V15-Y269 HydrophobicContact CG1-CD2 4.37Å; V15-Y269 PolarHBondContact O-N 2.9Å; V18-Y269 HydrophobicContact CG1-CD2 4.33Å; V18-Y269 HydrophobicContact CG2-CE2 4.17Å; D100-Y269 VanDerWaalsContact CG-OH 3.27Å; D100-Y269 PolarHBondContact OD1-OH 3.07Å; D100-Y269 WeakPolarHBondContact OD2-CE2 3.41Å; D100-Y269 PolarHBondContact OD2-OH 3.02Å; R267-Y269 HydrophobicContact CG-CE2 4.39Å; R267-Y269 PolarHBondContact NH1-OH 3.21Å; Y269-L375 HydrophobicContact CD1-CD2 3.72Å; Y269-L375 HydrophobicContact CE1-CD2 3.82Å; Y269-Y378 AromaticContact CD1-CD1 3.98Å; Y269-Y378 HydrophobicContact CD1-CD1 3.98Å; Y269-Y378 HydrophobicContact CD1-CD2 4.12Å; Y269-Y378 HydrophobicContact CD1-CE1 4.37Å; Y269-Y378 HydrophobicContact CD1-CE2 4.49Å; Y269-Y378 AromaticContact CD1-CG 3.84Å; Y269-Y378 HydrophobicContact CD1-CG 3.84Å; Y269-Y378 HydrophobicContact CE1-CD1 4.31Å; Y269-Y378 HydrophobicContact CE1-CE1 4.37Å; Y269-Y378 WeakPolarHBondContact O-CB 3.39Å
270A98.6Very high97.9Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-158.3159.3-179.300000110.4V14 V15 A374 C377 L435 A436V14-A270 CarbonylContact C-O 3.51Å; V14-A270 WeakPolarHBondContact CA-O 3.49Å; V15-A270 PolarHBondContact N-O 3.05Å; A270-A374 HydrophobicContact CB-CB 3.96Å; A270-C377 HydrophobicContact CB-CB 4.25Å; A270-L435 HydrophobicContact CB-CD2 4.39Å; A270-A436 CarbonylContact C-O 3.47Å; A270-A436 VanDerWaalsContact CA-O 3.31Å; A270-A436 WeakPolarHBondContact CA-O 3.49Å; A270-A436 WeakPolarHBondContact CB-O 3.39Å
271E98.7Very high97.6Very high10 Ų1044.9 Ų44.95%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-93.5137.5165.5-171176.9-173.300109.5R12 V13 V14 L273 R416 L435 A436 M438R12-E271 IonicContact CZ-OE1 3.4Å; R12-E271 IonicContact CZ-OE2 2.99Å; R12-E271 IonicContact NE-OE1 2.66Å; R12-E271 PolarHBondContact NE-OE1 3.46Å; R12-E271 IonicContact NE-OE2 3.52Å; R12-E271 VanDerWaalsContact NH2-CD 3.34Å; R12-E271 IonicContact NH2-OE1 2.68Å; R12-E271 PolarHBondContact NH2-OE1 3.07Å; R12-E271 IonicContact NH2-OE2 3.2Å; R12-E271 PolarHBondContact NH2-OE2 2.89Å; V13-E271 WeakPolarHBondContact O-CG 3.47Å; V14-E271 HydrophobicContact CG1-CB 4.18Å; V14-E271 HydrophobicContact CG1-CG 4.2Å; E271-L273 HydrophobicContact CB-CD2 4.18Å; E271-L273 VanDerWaalsContact CD-CD2 3.5Å; E271-L273 HydrophobicContact CG-CD2 3.81Å; E271-R416 IonicContact OE2-CZ 3.97Å; E271-R416 VanDerWaalsContact OE2-CZ 3.26Å; E271-R416 IonicContact OE2-NH1 3.94Å; E271-R416 PolarHBondContact OE2-NH1 2.9Å; E271-R416 IonicContact OE2-NH2 2.65Å; E271-R416 PolarHBondContact OE2-NH2 2.98Å; E271-L435 CarbonylContact O-C 3.55Å; E271-L435 WeakPolarHBondContact O-CA 3.25Å; E271-A436 PolarHBondContact N-O 3.03Å; E271-A436 PolarHBondContact O-N 3.42Å; E271-M438 HydrophobicContact CB-SD 4.11Å
272V98.8Very high97.2Very high2 Ų251.5 Ų51.51%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-86.1107.6165.4-176.70000106.7V13 V15 F188 L255 L433 L435V13-V272 PolarHBondContact O-N 3.33Å; V15-V272 HydrophobicContact CG2-CG2 4.22Å; F188-V272 HydrophobicContact CB-CG1 4.33Å; F188-V272 HydrophobicContact CD1-CG1 4.39Å; F188-V272 HydrophobicContact CD2-CB 3.87Å; F188-V272 HydrophobicContact CD2-CG1 3.62Å; F188-V272 HydrophobicContact CE2-CB 4.11Å; F188-V272 HydrophobicContact CE2-CG1 3.91Å; F188-V272 WeakPolarHBondContact CE2-O 3.4Å; F188-V272 HydrophobicContact CG-CG1 3.87Å; F188-V272 HydrophobicContact CZ-CG1 4.38Å; L255-V272 HydrophobicContact CD2-CG2 3.84Å; V272-L433 HydrophobicContact CG1-CD2 4.06Å; V272-L435 HydrophobicContact CG2-CD2 4.41Å
273L98.2Very high96.8Very high26 Ų2651.7 Ų51.714%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-81.6-39.7-175.7-61.6-178.7000112E271 A305 V307 V418 C434 A436E271-L273 HydrophobicContact CB-CD2 4.18Å; E271-L273 VanDerWaalsContact CD-CD2 3.5Å; E271-L273 HydrophobicContact CG-CD2 3.81Å; L273-A305 HydrophobicContact CB-CB 3.59Å; L273-A305 WeakPolarHBondContact O-CA 3.12Å; L273-V307 HydrophobicContact CD1-CG2 3.75Å; L273-V418 HydrophobicContact CD1-CG1 4.36Å; L273-C434 HydrophobicContact CB-CB 4.36Å; L273-C434 PolarHBondContact N-O 2.84Å; L273-A436 HydrophobicContact CD1-CB 3.53Å; L273-A436 HydrophobicContact CD2-CB 4.39Å; L273-A436 HydrophobicContact CG-CB 4Å
274G98.4Very high96.2Very high0 Ų048.8 Ų48.80%027%0.266CS..EExtended strand (participates in β ladder)trans-166.8161.7-17700000113.6D304 C434G274-D304 VanDerWaalsContact CA-OD2 3.22Å; G274-D304 WeakPolarHBondContact CA-OD2 3.43Å; G274-C434 PolarHBondContact N-O 3.46Å; G274-C434 PolarHBondContact O-N 3.06Å
275Y98.7Very high95.6Very high11 Ų1148.5 Ų48.54%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-134.9130.7-175.5171.3-134.5000110.8H182 G185 M189 L277 D304 A431 L433H182-Y275 PolarHBondContact CD2-OH 2.79Å; G185-Y275 VanDerWaalsContact CA-CD1 3.49Å; M189-Y275 HydrophobicContact CE-CD1 4.09Å; M189-Y275 HydrophobicContact CE-CE1 3.74Å; M189-Y275 HydrophobicContact CG-CD1 4.34Å; M189-Y275 HydrophobicContact SD-CD1 4.29Å; M189-Y275 HydrophobicContact SD-CE1 4.47Å; Y275-L277 HydrophobicContact CE1-CD2 4.06Å; Y275-L277 HydrophobicContact CE2-CB 4.26Å; Y275-D304 PolarHBondContact N-OD2 3.41Å; Y275-A431 HydrophobicContact CE2-CB 4.09Å; Y275-L433 HydrophobicContact CD2-CD2 3.66Å; Y275-L433 HydrophobicContact CD2-CG 4.39Å; Y275-L433 HydrophobicContact CG-CD2 3.96Å
276G98.6Very high95.2Very high0 Ų042.5 Ų42.50%024%0.242CC..EExtended strand (participates in β ladder)trans-127.8136.817600000111.2S297 A431 T432G276-S297 WeakPolarHBondContact CA-O 3.39Å; G276-A431 CarbonylContact O-C 3.58Å; G276-A431 VanDerWaalsContact O-CA 3.27Å; G276-A431 WeakPolarHBondContact O-CA 3.49Å; G276-T432 PolarHBondContact N-O 3.39Å; G276-T432 PolarHBondContact O-N 2.61Å
277L98.1Very high94.7Very high70 Ų7043.5 Ų43.537%0.36625%0.247SC..EExtended strand (participates in β ladder)trans-133.5149.6175.968.1170.6000110.7Y275 R300 N430Y275-L277 HydrophobicContact CE1-CD2 4.06Å; Y275-L277 HydrophobicContact CE2-CB 4.26Å; L277-R300 VanDerWaalsContact O-CD 3.3Å; L277-R300 WeakPolarHBondContact O-CD 3.34Å; L277-R300 PolarHBondContact O-NH1 3.43Å; L277-N430 CarbonylContact C-O 3.52Å; L277-N430 WeakPolarHBondContact CA-O 3.43Å
278S97.9Very high94.3Very high14 Ų1437.5 Ų37.510%0.09823%0.226CC..EExtended strand (participates in β ladder)trans-152.1169.817876.50000111.5G293 N430S278-G293 PolarHBondContact OG-O 2.98Å; S278-N430 PolarHBondContact N-O 3.03Å; S278-N430 PolarHBondContact O-N 3.24Å; S278-N430 WeakPolarHBondContact OG-CB 3.25Å; S278-N430 PolarHBondContact OG-ND2 3.22Å
279G95.6Very high93.7Very high55 Ų5540.8 Ų40.857%0.56725%0.249SC*.EExtended strand (participates in β ladder)trans-124.1136.4171.900000110G428G279-G428 CarbonylContact C-O 3.55Å; G279-G428 VanDerWaalsContact CA-O 3.23Å; G279-G428 WeakPolarHBondContact CA-O 3.26Å
280D92.7Very high93.2Very high26 Ų2644.1 Ų44.114%0.13927%0.268CS..  trans-68.5-37.3178.1-71-21.3000112.5Y282 G293 G428 N430D280-Y282 PolarHBondContact O-N 3Å; D280-G293 WeakPolarHBondContact OD1-CA 3.15Å; D280-G428 PolarHBondContact N-O 2.97Å; D280-G428 VanDerWaalsContact OD2-CA 3.28Å; D280-G428 WeakPolarHBondContact OD2-CA 3.33Å; D280-N430 PolarHBondContact OD1-ND2 3.13Å
281G92Very high92.8Very high85 Ų8544.3 Ų44.388%0.87627%0.27SS*.  trans58.526.4-174.500000113.9
282Y89.5Confident92.6Very high138 Ų13845.7 Ų45.754%0.54128%0.283SS..SBendtrans-119.2-67.4-165.9177.3-110.8000114.1D280 C288 P289D280-Y282 PolarHBondContact O-N 3Å; Y282-C288 WeakPolarHBondContact CB-SG 3.22Å; Y282-P289 HydrophobicContact CE1-CG 4.48Å
283H89.5Confident92.5Very high93 Ų9345.8 Ų45.843%0.43128%0.284SS..  trans-140.7156.9-176.2-171.6-100.8000111.2T285 S286H283-T285 PolarHBondContact ND1-N 2.76Å; H283-T285 PolarHBondContact O-N 3.13Å; H283-S286 WeakPolarHBondContact ND1-CB 3.41Å; H283-S286 PolarHBondContact ND1-N 3Å; H283-S286 VanDerWaalsContact ND1-N 3.18Å; H283-S286 PolarHBondContact ND1-OG 3.37Å
284L85.3Confident92.5Very high79 Ų7944.9 Ų44.941%0.41428%0.281SS..SBendtrans-59.5-47.3-178.3175.160.8000112.8W427L284-W427 HydrophobicContact CD1-CD2 3.24Å; L284-W427 HydrophobicContact CD1-CE3 3.3Å; L284-W427 HydrophobicContact CD1-CG 4.09Å; L284-W427 HydrophobicContact CD1-CH2 3.23Å; L284-W427 HydrophobicContact CD1-CZ2 3.15Å; L284-W427 HydrophobicContact CD1-CZ3 3.3Å; L284-W427 WeakPolarHBondContact O-CA 3.39Å; L284-W427 PolarHBondContact O-N 3.29Å
285T85.9Confident92.4Very high59 Ų5946.3 Ų46.336%0.36229%0.287SS..SBendtrans-125.2-8.2-172.359.10000113.9H283 F426H283-T285 PolarHBondContact ND1-N 2.76Å; H283-T285 PolarHBondContact O-N 3.13Å; T285-F426 HydrophobicContact CG2-CD2 3.88Å; T285-F426 HydrophobicContact CG2-CE2 3.85Å; T285-F426 HydrophobicContact CG2-CG 4.45Å; T285-F426 HydrophobicContact CG2-CZ 4.41Å
286S89.2Confident92.4Very high27 Ų2748.8 Ų48.819%0.18930%0.301CS..  trans-109134.5-173.8-680000109.2H283 Q324H283-S286 WeakPolarHBondContact ND1-CB 3.41Å; H283-S286 PolarHBondContact ND1-N 3Å; H283-S286 VanDerWaalsContact ND1-N 3.18Å; H283-S286 PolarHBondContact ND1-OG 3.37Å; S286-Q324 PolarHBondContact OG-OE1 2.95Å
287P88Confident92.4Very high38 Ų3848.8 Ų48.825%0.24730%0.301CS..  trans-66.3162.2171.731.8-36.2000110A328P287-A328 HydrophobicContact CB-CB 4.08Å; P287-A328 HydrophobicContact CG-CB 3.83Å
288C89.1Confident92.4Very high13 Ų1345.4 Ų45.49%0.08828%0.283CS..  trans-56.3131.7164.5-62.60000109.3Y282 D290 G291 A292Y282-C288 WeakPolarHBondContact CB-SG 3.22Å; C288-D290 VanDerWaalsContact CB-OD1 3.25Å; C288-D290 WeakPolarHBondContact CB-OD1 3.3Å; C288-D290 PolarHBondContact O-N 3.16Å; C288-D290 VanDerWaalsContact O-N 3.11Å; C288-G291 PolarHBondContact O-N 2.99Å; C288-A292 HydrophobicContact CB-CB 4.38Å
289P86.3Confident92.4Very high96 Ų9649 Ų4962%0.62330%0.295SS*.THydrogen-bonded Turntrans-57.5-28.5-178-27.735000114.4Y282 G291Y282-P289 HydrophobicContact CE1-CG 4.48Å; P289-G291 VanDerWaalsContact C-N 3.34Å
290D87.8Confident92.6Very high85 Ų8552.2 Ų52.246%0.45529%0.289SS..THydrogen-bonded Turntrans-89.32.8177.572.5-18.6000113.6C288 A292 K295C288-D290 VanDerWaalsContact CB-OD1 3.25Å; C288-D290 WeakPolarHBondContact CB-OD1 3.3Å; C288-D290 PolarHBondContact O-N 3.16Å; C288-D290 VanDerWaalsContact O-N 3.11Å; D290-A292 VanDerWaalsContact C-N 3.26Å; D290-A292 PolarHBondContact O-N 3.38Å; D290-A292 VanDerWaalsContact OD1-CB 3.31Å; D290-A292 WeakPolarHBondContact OD1-CB 3.18Å; D290-A292 PolarHBondContact OD1-N 3.05Å; D290-K295 WeakPolarHBondContact O-CE 3.35Å; D290-K295 PolarHBondContact O-NZ 3.34Å
291G91.5Very high92.9Very high3 Ų351 Ų513%0.03128%0.283CS..  trans64.122-178.100000114.7C288 P289 G293 A294 K295C288-G291 PolarHBondContact O-N 2.99Å; P289-G291 VanDerWaalsContact C-N 3.34Å; G291-G293 PolarHBondContact O-N 2.91Å; G291-A294 WeakPolarHBondContact O-CB 3.36Å; G291-A294 PolarHBondContact O-N 3.03Å; G291-A294 VanDerWaalsContact O-N 3.17Å; G291-K295 WeakPolarHBondContact O-CG 3.41Å; G291-K295 PolarHBondContact O-N 3.46Å
292A94.3Very high93.2Very high39 Ų3947.3 Ų47.332%0.32224%0.243SC..Hα-helixtrans-52.4-46-173.600000114.6C288 D290 K295 L296C288-A292 HydrophobicContact CB-CB 4.38Å; D290-A292 VanDerWaalsContact C-N 3.26Å; D290-A292 PolarHBondContact O-N 3.38Å; D290-A292 VanDerWaalsContact OD1-CB 3.31Å; D290-A292 WeakPolarHBondContact OD1-CB 3.18Å; D290-A292 PolarHBondContact OD1-N 3.05Å; A292-K295 PolarHBondContact O-N 2.76Å; A292-L296 WeakPolarHBondContact O-CB 3.46Å; A292-L296 PolarHBondContact O-N 3.49Å
293G96Very high93.6Very high4 Ų445.8 Ų45.84%0.04125%0.249CC..Hα-helixtrans-65.5-43.7178.700000112.7S278 D280 G291 K295 L296 S297 N430S278-G293 PolarHBondContact OG-O 2.98Å; D280-G293 WeakPolarHBondContact OD1-CA 3.15Å; G291-G293 PolarHBondContact O-N 2.91Å; G293-K295 PolarHBondContact O-N 3.48Å; G293-L296 PolarHBondContact O-N 3.25Å; G293-L296 VanDerWaalsContact O-N 3.14Å; G293-S297 PolarHBondContact O-N 3.16Å; G293-N430 WeakPolarHBondContact CA-ND2 3.35Å
294A97.3Very high94Very high8 Ų845 Ų457%0.06625%0.248CC..Hα-helixtrans-59.2-44.5173.400000112G291 L296 S297 M298 A332 F424G291-A294 WeakPolarHBondContact O-CB 3.36Å; G291-A294 PolarHBondContact O-N 3.03Å; G291-A294 VanDerWaalsContact O-N 3.17Å; A294-L296 VanDerWaalsContact C-N 3.3Å; A294-L296 PolarHBondContact O-N 2.9Å; A294-S297 PolarHBondContact O-N 2.76Å; A294-S297 PolarHBondContact O-OG 3.23Å; A294-M298 HydrophobicContact CB-CE 4.15Å; A294-M298 VanDerWaalsContact O-CE 3.27Å; A294-M298 WeakPolarHBondContact O-CE 3.36Å; A294-M298 WeakPolarHBondContact O-CG 3.45Å; A294-M298 PolarHBondContact O-N 2.87Å; A294-A332 HydrophobicContact CB-CB 3.84Å; A294-F424 HydrophobicContact CB-CD1 4.38Å; A294-F424 HydrophobicContact CB-CE1 3.68Å; A294-F424 HydrophobicContact CB-CE2 3.97Å; A294-F424 HydrophobicContact CB-CZ 3.43Å; A294-F424 VanDerWaalsContact CB-CZ 3.43Å
295K97.6Very high94.5Very high29 Ų2942.3 Ų42.313%0.12624%0.236CC..Hα-helixtrans-58.6-42.6173.7-71.2-176.3-70.6-167.50111.7D290 G291 A292 G293 M298 R299 A332 E335 I336D290-K295 WeakPolarHBondContact O-CE 3.35Å; D290-K295 PolarHBondContact O-NZ 3.34Å; G291-K295 WeakPolarHBondContact O-CG 3.41Å; G291-K295 PolarHBondContact O-N 3.46Å; A292-K295 PolarHBondContact O-N 2.76Å; G293-K295 PolarHBondContact O-N 3.48Å; K295-M298 PolarHBondContact O-N 3.14Å; K295-R299 WeakPolarHBondContact O-CB 3.47Å; K295-R299 PolarHBondContact O-N 2.63Å; K295-A332 HydrophobicContact CD-CB 4.47Å; K295-A332 HydrophobicContact CG-CB 3.55Å; K295-E335 HydrophobicContact CD-CB 4.13Å; K295-E335 WeakPolarHBondContact CD-OE2 3.36Å; K295-E335 WeakPolarHBondContact CE-OE2 3.28Å; K295-E335 IonicContact NZ-OE1 2.61Å; K295-E335 IonicContact NZ-OE2 2.97Å; K295-E335 PolarHBondContact NZ-OE2 3.27Å; K295-I336 HydrophobicContact CB-CD1 4.24Å; K295-I336 HydrophobicContact CB-CG1 4.37Å; K295-I336 HydrophobicContact CG-CG1 4.25Å
296L97.8Very high95Very high63 Ų6342.6 Ų42.633%0.3325%0.251SS..Hα-helixtrans-66.7-41.6-179.6-177.657.6000112.3A292 G293 A294 R300A292-L296 WeakPolarHBondContact O-CB 3.46Å; A292-L296 PolarHBondContact O-N 3.49Å; G293-L296 PolarHBondContact O-N 3.25Å; G293-L296 VanDerWaalsContact O-N 3.14Å; A294-L296 VanDerWaalsContact C-N 3.3Å; A294-L296 PolarHBondContact O-N 2.9Å; L296-R300 HydrophobicContact CD1-CG 4.28Å; L296-R300 WeakPolarHBondContact O-CB 3.02Å; L296-R300 VanDerWaalsContact O-CG 3.28Å; L296-R300 WeakPolarHBondContact O-CG 3.36Å; L296-R300 PolarHBondContact O-N 3.29Å
297S98.6Very high95.3Very high0 Ų042.1 Ų42.10%025%0.247CC..Hα-helixtrans-65.4-43.2176.167.10000111.2G276 G293 A294 R300 A301 T432G276-S297 WeakPolarHBondContact CA-O 3.39Å; G293-S297 PolarHBondContact O-N 3.16Å; A294-S297 PolarHBondContact O-N 2.76Å; A294-S297 PolarHBondContact O-OG 3.23Å; S297-R300 PolarHBondContact O-N 2.83Å; S297-A301 PolarHBondContact O-N 3.41Å; S297-T432 PolarHBondContact OG-OG1 3.34Å; S297-T432 VanDerWaalsContact OG-OG1 3.06Å
298M98.7Very high95.6Very high0 Ų046.2 Ų46.20%026%0.261CS..Hα-helixtrans-61.7-49.7176.9-73.3-174.9-82.400112.1A294 K295 R300 A301 L302 A332 I333 I336 M420 N422 T432A294-M298 HydrophobicContact CB-CE 4.15Å; A294-M298 VanDerWaalsContact O-CE 3.27Å; A294-M298 WeakPolarHBondContact O-CE 3.36Å; A294-M298 WeakPolarHBondContact O-CG 3.45Å; A294-M298 PolarHBondContact O-N 2.87Å; K295-M298 PolarHBondContact O-N 3.14Å; M298-R300 VanDerWaalsContact C-N 3.3Å; M298-R300 PolarHBondContact O-N 3.08Å; M298-A301 PolarHBondContact O-N 3.13Å; M298-A301 VanDerWaalsContact O-N 3.16Å; M298-L302 WeakPolarHBondContact O-CG 3.32Å; M298-L302 PolarHBondContact O-N 2.94Å; M298-A332 HydrophobicContact CE-CB 3.38Å; M298-I333 HydrophobicContact CE-CG1 4.31Å; M298-I333 HydrophobicContact SD-CG1 4Å; M298-I336 HydrophobicContact CB-CG1 4.16Å; M298-I336 HydrophobicContact CB-CG2 4.48Å; M298-I336 HydrophobicContact CE-CG1 4.29Å; M298-M420 HydrophobicContact CB-SD 4.42Å; M298-M420 HydrophobicContact CG-CE 4.5Å; M298-M420 HydrophobicContact CG-SD 4.41Å; M298-M420 HydrophobicContact SD-CE 4.2Å; M298-N422 WeakPolarHBondContact CG-OD1 3.31Å; M298-N422 PolarHBondContact SD-ND2 3.1Å; M298-T432 HydrophobicContact CG-CG2 4Å; M298-T432 WeakPolarHBondContact CG-OG1 3.44Å; M298-T432 PolarHBondContact N-OG1 3.06Å
299R98.3Very high95.9Very high90 Ų9046.6 Ų46.634%0.3426%0.264SS..Hα-helixtrans-59.8-40.3178.4-171.7179.5-65.299.8-4.1112.2K295 L302 T303 I336 E339K295-R299 WeakPolarHBondContact O-CB 3.47Å; K295-R299 PolarHBondContact O-N 2.63Å; R299-L302 PolarHBondContact O-N 3.5Å; R299-T303 WeakPolarHBondContact O-CB 3.45Å; R299-T303 PolarHBondContact O-N 2.95Å; R299-T303 PolarHBondContact O-OG1 3.47Å; R299-I336 HydrophobicContact CB-CD1 4.12Å; R299-E339 IonicContact CZ-OE1 3.75Å; R299-E339 VanDerWaalsContact CZ-OE1 3.31Å; R299-E339 IonicContact NE-OE1 2.62Å; R299-E339 PolarHBondContact NE-OE1 3.19Å; R299-E339 IonicContact NE-OE2 3.79Å; R299-E339 PolarHBondContact NE-OE2 3.49Å; R299-E339 IonicContact NH2-OE1 3.82Å; R299-E339 PolarHBondContact NH2-OE1 3.38Å; R299-E339 IonicContact NH2-OE2 2.72Å
300R98.6Very high96.2Very high121 Ų12144.5 Ų44.546%0.45725%0.245SC..Hα-helixtrans-63.4-44.4175.8-77.4174.9174.5-179.5-2.2111.6L277 L296 S297 M298 L302 T303 D304L277-R300 VanDerWaalsContact O-CD 3.3Å; L277-R300 WeakPolarHBondContact O-CD 3.34Å; L277-R300 PolarHBondContact O-NH1 3.43Å; L296-R300 HydrophobicContact CD1-CG 4.28Å; L296-R300 WeakPolarHBondContact O-CB 3.02Å; L296-R300 VanDerWaalsContact O-CG 3.28Å; L296-R300 WeakPolarHBondContact O-CG 3.36Å; L296-R300 PolarHBondContact O-N 3.29Å; S297-R300 PolarHBondContact O-N 2.83Å; M298-R300 VanDerWaalsContact C-N 3.3Å; M298-R300 PolarHBondContact O-N 3.08Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.19Å; R300-T303 PolarHBondContact O-N 2.98Å; R300-D304 VanDerWaalsContact O-CB 3.3Å; R300-D304 WeakPolarHBondContact O-CB 3.49Å; R300-D304 PolarHBondContact O-N 3.49Å
301A98.8Very high96.5Very high0 Ų042.3 Ų42.30%023%0.232CC..Hα-helixtrans-62.2-42177.900000112.1S297 M298 A305 T432S297-A301 PolarHBondContact O-N 3.41Å; M298-A301 PolarHBondContact O-N 3.13Å; M298-A301 VanDerWaalsContact O-N 3.16Å; A301-A305 WeakPolarHBondContact O-CB 3.45Å; A301-A305 PolarHBondContact O-N 3.28Å; A301-T432 HydrophobicContact CB-CG2 3.74Å; A301-T432 WeakPolarHBondContact CB-O 3.33Å
302L98.3Very high96.7Very high8 Ų842.4 Ų42.44%0.04223%0.232CC..Hα-helixtrans-66.4-42.8176.1-68.9176.6000112.4M298 R299 R300 A305 G306 V307 P309 V312 I336 M420M298-L302 WeakPolarHBondContact O-CG 3.32Å; M298-L302 PolarHBondContact O-N 2.94Å; R299-L302 PolarHBondContact O-N 3.5Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.19Å; L302-A305 CarbonylContact O-C 3.55Å; L302-A305 PolarHBondContact O-N 2.81Å; L302-G306 PolarHBondContact O-N 2.81Å; L302-V307 HydrophobicContact CD2-CB 4.15Å; L302-V307 HydrophobicContact CD2-CG1 3.8Å; L302-V307 PolarHBondContact O-N 3.15Å; L302-P309 HydrophobicContact CD1-CB 4.42Å; L302-P309 HydrophobicContact CD1-CG 4.04Å; L302-V312 HydrophobicContact CD2-CG2 3.66Å; L302-I336 HydrophobicContact CD1-CG2 3.68Å; L302-M420 HydrophobicContact CD1-SD 4.21Å; L302-M420 HydrophobicContact CD2-CG 4.47Å; L302-M420 HydrophobicContact CD2-SD 3.82Å; L302-M420 HydrophobicContact CG-SD 3.92Å
303T98Very high96.7Very high107 Ų10741 Ų4166%0.65622%0.221SC*.Hα-helixtrans-63-45.9176.8-57.70000111.3R299 R300 A305 G306R299-T303 WeakPolarHBondContact O-CB 3.45Å; R299-T303 PolarHBondContact O-N 2.95Å; R299-T303 PolarHBondContact O-OG1 3.47Å; R300-T303 PolarHBondContact O-N 2.98Å; T303-A305 VanDerWaalsContact C-N 3.29Å; T303-A305 PolarHBondContact O-N 2.86Å; T303-G306 PolarHBondContact O-N 3.18Å; T303-G306 VanDerWaalsContact O-N 3.16Å
304D97.9Very high96.8Very high77 Ų7740.8 Ų40.841%0.41222%0.219SC..Hα-helixtrans-62.9-37.7177.1-170.748.9000111.5G274 Y275 R300 G306G274-D304 VanDerWaalsContact CA-OD2 3.22Å; G274-D304 WeakPolarHBondContact CA-OD2 3.43Å; Y275-D304 PolarHBondContact N-OD2 3.41Å; R300-D304 VanDerWaalsContact O-CB 3.3Å; R300-D304 WeakPolarHBondContact O-CB 3.49Å; R300-D304 PolarHBondContact O-N 3.49Å; D304-G306 VanDerWaalsContact C-N 3.3Å; D304-G306 PolarHBondContact O-N 2.84Å
305A97.3Very high96.9Very high21 Ų2140.4 Ų40.417%0.17422%0.216CC..Hα-helixtrans-73.5-15.6175.600000114.6L273 A301 L302 T303 V307 C434L273-A305 HydrophobicContact CB-CB 3.59Å; L273-A305 WeakPolarHBondContact O-CA 3.12Å; A301-A305 WeakPolarHBondContact O-CB 3.45Å; A301-A305 PolarHBondContact O-N 3.28Å; L302-A305 CarbonylContact O-C 3.55Å; L302-A305 PolarHBondContact O-N 2.81Å; T303-A305 VanDerWaalsContact C-N 3.29Å; T303-A305 PolarHBondContact O-N 2.86Å; A305-V307 HydrophobicContact CB-CB 3.97Å; A305-V307 HydrophobicContact CB-CG2 3.69Å; A305-V307 PolarHBondContact O-N 2.97Å; A305-C434 HydrophobicContact CB-CB 3.91Å
306G95.8Very high96.9Very high66 Ų6639 Ų3968%0.6821%0.21SC*.THydrogen-bonded Turntrans62.324.5-168.200000113.4L302 T303 D304L302-G306 PolarHBondContact O-N 2.81Å; T303-G306 PolarHBondContact O-N 3.18Å; T303-G306 VanDerWaalsContact O-N 3.16Å; D304-G306 VanDerWaalsContact C-N 3.3Å; D304-G306 PolarHBondContact O-N 2.84Å
307V95.7Very high97Very high16 Ų1636 Ų3610%0.09719%0.194CC..  trans-101.9131.5-174.7168.20000109.4L273 L302 A305 E311 V312 V418L273-V307 HydrophobicContact CD1-CG2 3.75Å; L302-V307 HydrophobicContact CD2-CB 4.15Å; L302-V307 HydrophobicContact CD2-CG1 3.8Å; L302-V307 PolarHBondContact O-N 3.15Å; A305-V307 HydrophobicContact CB-CB 3.97Å; A305-V307 HydrophobicContact CB-CG2 3.69Å; A305-V307 PolarHBondContact O-N 2.97Å; V307-E311 HydrophobicContact CG1-CB 3.97Å; V307-V312 HydrophobicContact CG1-CG2 4.17Å; V307-V418 HydrophobicContact CG1-CG1 4.04Å
308K94.7Very high97Very high124 Ų12436.8 Ų36.854%0.53920%0.198SC..  trans-78.5149.9171.3-58.6-174.4-173.1173.50110.3E310 E311K308-E310 VanDerWaalsContact CB-CD 3.48Å; K308-E310 HydrophobicContact CB-CG 4.04Å; K308-E310 WeakPolarHBondContact CD-OE1 3.3Å; K308-E310 PolarHBondContact O-N 2.75Å; K308-E311 HydrophobicContact CB-CG 4.47Å; K308-E311 WeakPolarHBondContact CB-OE2 3.48Å; K308-E311 PolarHBondContact N-OE2 3.21Å; K308-E311 WeakPolarHBondContact O-CB 3.03Å; K308-E311 PolarHBondContact O-N 3.33Å
309P94.6Very high96.9Very high22 Ų2236.8 Ų36.814%0.14320%0.198CC..G310 helixtrans-52.3-30176.8-26.935000113.5L302 E311 V312 I336 R343L302-P309 HydrophobicContact CD1-CB 4.42Å; L302-P309 HydrophobicContact CD1-CG 4.04Å; P309-E311 PolarHBondContact O-N 2.88Å; P309-V312 PolarHBondContact O-N 2.9Å; P309-I336 VanDerWaalsContact CB-O 3.28Å; P309-I336 WeakPolarHBondContact CB-O 3.09Å; P309-R343 VanDerWaalsContact CB-NH2 3.28Å; P309-R343 PolarHBondContact O-NH1 3.29Å; P309-R343 PolarHBondContact O-NH2 2.99Å
310E92.8Very high96.9Very high51 Ų5133 Ų3324%0.23819%0.185CC..G310 helixtrans-73.1-14.6-176.856.2-95.3-150.400114.7K308 R343 S411 F413K308-E310 VanDerWaalsContact CB-CD 3.48Å; K308-E310 HydrophobicContact CB-CG 4.04Å; K308-E310 WeakPolarHBondContact CD-OE1 3.3Å; K308-E310 PolarHBondContact O-N 2.75Å; E310-R343 IonicContact OE2-NH2 3.68Å; E310-S411 PolarHBondContact O-OG 3.4Å; E310-F413 HydrophobicContact CB-CD2 3.87Å; E310-F413 HydrophobicContact CB-CE2 3.85Å; E310-F413 HydrophobicContact CB-CG 4.28Å; E310-F413 HydrophobicContact CB-CZ 4.22Å; E310-F413 HydrophobicContact CG-CD1 4.09Å; E310-F413 HydrophobicContact CG-CD2 4.15Å; E310-F413 HydrophobicContact CG-CE1 4.27Å; E310-F413 HydrophobicContact CG-CE2 4.34Å; E310-F413 HydrophobicContact CG-CG 4.03Å; E310-F413 HydrophobicContact CG-CZ 4.39Å; E310-F413 VanDerWaalsContact O-CD2 3.27Å; E310-F413 WeakPolarHBondContact O-CD2 3.37Å
311E93.3Very high96.9Very high40 Ų4027.3 Ų27.319%0.18716%0.163CC..G310 helixtrans-85.1-19.3176.4-63.4175.489.600111.8V307 K308 P309 G313 F413 T414 V418V307-E311 HydrophobicContact CG1-CB 3.97Å; K308-E311 HydrophobicContact CB-CG 4.47Å; K308-E311 WeakPolarHBondContact CB-OE2 3.48Å; K308-E311 PolarHBondContact N-OE2 3.21Å; K308-E311 WeakPolarHBondContact O-CB 3.03Å; K308-E311 PolarHBondContact O-N 3.33Å; P309-E311 PolarHBondContact O-N 2.88Å; E311-G313 PolarHBondContact O-N 2.94Å; E311-F413 HydrophobicContact CG-CB 3.93Å; E311-T414 HydrophobicContact CB-CG2 3.92Å; E311-T414 HydrophobicContact CG-CG2 4.22Å; E311-V418 WeakPolarHBondContact O-CB 3.5Å
312V95.9Very high96.8Very high5 Ų529 Ų293%0.0317%0.174CC..EExtended strand (participates in β ladder)trans-74.2114.8179.5-175.50000110.6L302 V307 P309 Y314 V315 P349 V418 M420L302-V312 HydrophobicContact CD2-CG2 3.66Å; V307-V312 HydrophobicContact CG1-CG2 4.17Å; P309-V312 PolarHBondContact O-N 2.9Å; V312-Y314 WeakPolarHBondContact CG1-O 3.43Å; V312-V315 HydrophobicContact CG1-CG2 4.21Å; V312-P349 HydrophobicContact CG1-CB 4.45Å; V312-V418 HydrophobicContact CG2-CG1 4.39Å; V312-M420 HydrophobicContact CG1-CE 4.14Å; V312-M420 HydrophobicContact CG1-CG 4.09Å; V312-M420 HydrophobicContact CG2-CE 4.39Å; V312-M420 HydrophobicContact CG2-CG 4.27Å; V312-M420 HydrophobicContact CG2-SD 4.48Å
313G95.7Very high96.6Very high8 Ų834.7 Ų34.78%0.08220%0.198CC..EExtended strand (participates in β ladder)trans-93.7-22.3176.600000114.2E311 L350 P409 V418E311-G313 PolarHBondContact O-N 2.94Å; G313-L350 PolarHBondContact O-N 2.74Å; G313-P409 WeakPolarHBondContact O-CG 3.03Å; G313-V418 PolarHBondContact N-O 3.18Å
314Y98Very high96.4Very high0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-141.7141.4-175175.6-129.2000112.7V312 N316 L350 S352 T373 V382 F408 V418 A419 M420V312-Y314 WeakPolarHBondContact CG1-O 3.43Å; Y314-N316 HydrophobicContact CE1-CB 3.84Å; Y314-N316 WeakPolarHBondContact OH-CB 3.2Å; Y314-L350 CarbonylContact C-O 3.46Å; Y314-L350 WeakPolarHBondContact CA-O 3.5Å; Y314-L350 HydrophobicContact CD2-CB 4.32Å; Y314-L350 WeakPolarHBondContact CD2-O 3.37Å; Y314-S352 WeakPolarHBondContact CE2-OG 3.28Å; Y314-S352 PolarHBondContact OH-OG 3.21Å; Y314-T373 HydrophobicContact CE1-CG2 4.5Å; Y314-V382 HydrophobicContact CD1-CG2 4.05Å; Y314-V382 HydrophobicContact CD2-CB 4.45Å; Y314-V382 HydrophobicContact CD2-CG1 3.75Å; Y314-V382 HydrophobicContact CD2-CG2 3.79Å; Y314-V382 HydrophobicContact CE1-CG1 4.36Å; Y314-V382 HydrophobicContact CE1-CG2 4.31Å; Y314-V382 HydrophobicContact CE2-CB 4.37Å; Y314-V382 HydrophobicContact CE2-CG1 3.3Å; Y314-V382 HydrophobicContact CE2-CG2 4.12Å; Y314-V382 HydrophobicContact CG-CG2 3.8Å; Y314-F408 VanDerWaalsContact CB-CZ 3.5Å; Y314-F408 HydrophobicContact CD1-CE2 4Å; Y314-F408 HydrophobicContact CG-CE2 4.17Å; Y314-V418 PolarHBondContact N-O 3.49Å; Y314-A419 HydrophobicContact CD1-CB 3.8Å; Y314-A419 HydrophobicContact CG-CB 4.37Å; Y314-A419 CarbonylContact O-C 3.48Å; Y314-A419 WeakPolarHBondContact O-CA 3.46Å; Y314-M420 PolarHBondContact O-N 3.15Å
315V98.6Very high96.3Very high0 Ų032.8 Ų32.80%018%0.184CC..EExtended strand (participates in β ladder)trans-125.5114.8168.4-175.30000109.7V312 A317 I333 P349 L350 V351 S352 M420V312-V315 HydrophobicContact CG1-CG2 4.21Å; V315-A317 PolarHBondContact O-N 2.73Å; V315-I333 HydrophobicContact CB-CD1 4.42Å; V315-I333 HydrophobicContact CG1-CD1 3.75Å; V315-I333 HydrophobicContact CG1-CG1 4.17Å; V315-I333 HydrophobicContact CG2-CG2 4.11Å; V315-P349 HydrophobicContact CG2-CB 4.15Å; V315-P349 HydrophobicContact CG2-CG 4.29Å; V315-L350 PolarHBondContact N-O 3.47Å; V315-V351 HydrophobicContact CB-CG2 4.31Å; V315-V351 WeakPolarHBondContact O-CA 3.5Å; V315-S352 PolarHBondContact O-N 2.71Å; V315-S352 VanDerWaalsContact O-N 3.17Å; V315-M420 CarbonylContact C-O 3.58Å; V315-M420 WeakPolarHBondContact CA-O 3.4Å; V315-M420 HydrophobicContact CG1-CB 4.45Å; V315-M420 HydrophobicContact CG2-CB 4.33Å; V315-M420 HydrophobicContact CG2-CE 3.9Å
316N98.8Very high96.3Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-82.6101.6165.7-168.4-5.1000108.6Y314 E369 T373 M420 K421 N422Y314-N316 HydrophobicContact CE1-CB 3.84Å; Y314-N316 WeakPolarHBondContact OH-CB 3.2Å; N316-E369 PolarHBondContact ND2-O 3.25Å; N316-T373 VanDerWaalsContact CB-OG1 3.23Å; N316-T373 WeakPolarHBondContact CB-OG1 3.09Å; N316-T373 PolarHBondContact ND2-OG1 2.85Å; N316-M420 PolarHBondContact N-O 2.79Å; N316-K421 HydrophobicContact CB-CG 4.45Å; N316-N422 PolarHBondContact O-N 2.64Å
317A98.7Very high96.3Very high0 Ų030.4 Ų30.40%016%0.156CC..  trans-79.1151.2-170.800000112.8F237 V315 A319 E329 I333 V351 S352 S353F237-A317 HydrophobicContact CE2-CB 4.47Å; F237-A317 HydrophobicContact CZ-CB 3.72Å; V315-A317 PolarHBondContact O-N 2.73Å; A317-A319 HydrophobicContact CB-CB 3.98Å; A317-E329 VanDerWaalsContact CA-OE1 3.3Å; A317-E329 WeakPolarHBondContact CA-OE1 3.41Å; A317-E329 WeakPolarHBondContact CB-OE1 3.16Å; A317-I333 HydrophobicContact CB-CD1 4.47Å; A317-V351 HydrophobicContact CB-CG1 3.96Å; A317-S352 WeakPolarHBondContact CB-O 3.4Å; A317-S352 PolarHBondContact N-O 3.05Å; A317-S353 PolarHBondContact O-OG 2.8Å
318H98.4Very high96.3Very high16 Ų1629.8 Ų29.87%0.07415%0.153CC..  trans-66.6-41.5172.1-179.162.8000112.1T320 E329 K355 H360 N422 F424H318-T320 WeakPolarHBondContact NE2-CG2 3.46Å; H318-T320 PolarHBondContact O-N 2.74Å; H318-E329 VanDerWaalsContact N-CD 3.35Å; H318-E329 PolarHBondContact N-OE1 3.04Å; H318-E329 PolarHBondContact N-OE2 3.27Å; H318-E329 VanDerWaalsContact N-OE2 3.15Å; H318-K355 VanDerWaalsContact O-CD 3.31Å; H318-K355 WeakPolarHBondContact O-CD 3.12Å; H318-K355 WeakPolarHBondContact O-CE 3.4Å; H318-K355 PolarHBondContact O-NZ 3.07Å; H318-H360 AromaticContact CE1-CE1 3.79Å; H318-N422 HydrophobicContact CB-CB 4.49Å; H318-F424 HydrophobicContact CB-CD2 3.59Å; H318-F424 HydrophobicContact CB-CE2 3.99Å; H318-F424 HydrophobicContact CB-CG 4.26Å; H318-F424 AromaticContact CD2-CD2 3.98Å; H318-F424 PolarHBondContact CE1-O 3.45Å; H318-F424 AromaticContact CG-CD2 3.97Å; H318-F424 PolarHBondContact ND1-N 2.78Å; H318-F424 PolarHBondContact NE2-O 3.32Å
319A98.1Very high96.4Very high1 Ų124 Ų241%0.00813%0.127CC..  trans13.185.7169.400000116.5P236 F237 A317 S321 D326 E329 S353 K355P236-A319 HydrophobicContact CB-CB 3.84Å; P236-A319 WeakPolarHBondContact CG-O 3.42Å; F237-A319 HydrophobicContact CD1-CB 4.32Å; F237-A319 HydrophobicContact CD2-CB 4.4Å; F237-A319 HydrophobicContact CE1-CB 3.5Å; F237-A319 VanDerWaalsContact CE1-CB 3.5Å; F237-A319 HydrophobicContact CE2-CB 3.62Å; F237-A319 HydrophobicContact CZ-CB 3.13Å; A317-A319 HydrophobicContact CB-CB 3.98Å; A319-S321 VanDerWaalsContact C-N 3.27Å; A319-S321 PolarHBondContact O-N 3.17Å; A319-D326 VanDerWaalsContact CA-OD1 3.31Å; A319-D326 WeakPolarHBondContact CA-OD1 3.39Å; A319-E329 WeakPolarHBondContact CA-OE2 3.31Å; A319-E329 PolarHBondContact N-OE2 3.17Å; A319-S353 PolarHBondContact O-OG 2.75Å; A319-K355 WeakPolarHBondContact O-CD 3.44Å
320T97.8Very high96.5Very high11 Ų1123 Ų237%0.06712%0.121CC..  trans-88.212.7-173.847.80000113.6F244 H318 T322 D326 K355F244-T320 WeakPolarHBondContact CA-O 3.28Å; F244-T320 WeakPolarHBondContact CB-O 3.4Å; H318-T320 WeakPolarHBondContact NE2-CG2 3.46Å; H318-T320 PolarHBondContact O-N 2.74Å; T320-T322 WeakPolarHBondContact OG1-CG2 3.29Å; T320-T322 PolarHBondContact OG1-OG1 3.29Å; T320-D326 PolarHBondContact N-OD1 2.86Å; T320-K355 HydrophobicContact CG2-CD 3.88Å
321S97.8Very high96.7Very high0 Ų021.5 Ų21.50%012%0.115CC..SBendtrans66.926.6-171-42.80000112.6S234 R235 P236 R241 G243 A319 D326S234-S321 PolarHBondContact OG-OG 3.45Å; S234-S321 VanDerWaalsContact OG-OG 3.07Å; R235-S321 VanDerWaalsContact C-OG 3.31Å; R235-S321 PolarHBondContact N-OG 2.99Å; P236-S321 WeakPolarHBondContact CD-OG 3.43Å; R241-S321 WeakPolarHBondContact CB-O 3.36Å; G243-S321 PolarHBondContact N-O 3.13Å; G243-S321 WeakPolarHBondContact O-CB 3.36Å; A319-S321 VanDerWaalsContact C-N 3.27Å; A319-S321 PolarHBondContact O-N 3.17Å; S321-D326 WeakPolarHBondContact CA-OD2 3.14Å; S321-D326 PolarHBondContact N-OD1 2.99Å
322T96.1Very high96.9Very high36 Ų3619.6 Ų19.622%0.22111%0.106CC..  trans-103.1138.7176.1610000109.6T320 Q324 G325 D326T320-T322 WeakPolarHBondContact OG1-CG2 3.29Å; T320-T322 PolarHBondContact OG1-OG1 3.29Å; T322-Q324 PolarHBondContact O-N 2.93Å; T322-G325 PolarHBondContact OG1-N 2.57Å; T322-D326 PolarHBondContact N-OD1 3.2Å; T322-D326 VanDerWaalsContact O-CB 3.23Å; T322-D326 WeakPolarHBondContact O-CB 3.43Å; T322-D326 PolarHBondContact O-N 2.61Å
323K95Very high97Very high128 Ų12819.4 Ų19.456%0.55711%0.105SC*.Hα-helixtrans-60-50.4-175.4-68.2-171.7175.7-170.10112.5R241 S327R241-K323 HydrophobicContact CG-CG 4.26Å; R241-K323 WeakPolarHBondContact O-CE 3.3Å; K323-S327 WeakPolarHBondContact O-CB 3.08Å; K323-S327 PolarHBondContact O-N 2.9Å; K323-S327 PolarHBondContact O-OG 3.27Å
324Q93.7Very high97Very high126 Ų12620.9 Ų20.959%0.58911%0.109SC*.Hα-helixtrans-68.5-44.4-179.3-66.9176.815.700112S286 T322 A328S286-Q324 PolarHBondContact OG-OE1 2.95Å; T322-Q324 PolarHBondContact O-N 2.93Å; Q324-A328 VanDerWaalsContact O-CB 3.31Å; Q324-A328 WeakPolarHBondContact O-CB 3.47Å; Q324-A328 PolarHBondContact O-N 3.21Å
325G95.7Very high96.8Very high18 Ų1824.7 Ų24.719%0.18613%0.126CC..Hα-helixtrans-62.6-52.4-178.700000112.7T322 S327 A328 E329T322-G325 PolarHBondContact OG1-N 2.57Å; G325-S327 VanDerWaalsContact C-N 3.32Å; G325-S327 PolarHBondContact O-N 3.39Å; G325-A328 PolarHBondContact O-N 3.37Å; G325-E329 WeakPolarHBondContact O-CB 3.4Å; G325-E329 PolarHBondContact O-N 2.83Å
326D96.9Very high96.7Very high0 Ų024.8 Ų24.80%013%0.127CC..Hα-helixtrans-62.9-39.2-179-66.111.2000111.3F237 R241 A319 T320 S321 T322 T330F237-D326 HydrophobicContact CD1-CB 3.82Å; F237-D326 HydrophobicContact CE1-CB 4.24Å; F237-D326 PolarHBondContact N-OD2 3.4Å; R241-D326 WeakPolarHBondContact CD-OD2 3.32Å; R241-D326 IonicContact NE-OD2 3.81Å; R241-D326 PolarHBondContact NE-OD2 2.84Å; A319-D326 VanDerWaalsContact CA-OD1 3.31Å; A319-D326 WeakPolarHBondContact CA-OD1 3.39Å; T320-D326 PolarHBondContact N-OD1 2.86Å; S321-D326 WeakPolarHBondContact CA-OD2 3.14Å; S321-D326 PolarHBondContact N-OD1 2.99Å; T322-D326 PolarHBondContact N-OD1 3.2Å; T322-D326 VanDerWaalsContact O-CB 3.23Å; T322-D326 WeakPolarHBondContact O-CB 3.43Å; T322-D326 PolarHBondContact O-N 2.61Å; D326-T330 WeakPolarHBondContact O-CB 3.43Å; D326-T330 WeakPolarHBondContact O-CG2 3.47Å; D326-T330 PolarHBondContact O-N 2.7Å; D326-T330 PolarHBondContact O-OG1 3.36Å
327S96Very high96.6Very high36 Ų3625 Ų2525%0.25213%0.129SC..Hα-helixtrans-67.9-45.5176.5-66.40000112.5K323 G325 T330 T331K323-S327 WeakPolarHBondContact O-CB 3.08Å; K323-S327 PolarHBondContact O-N 2.9Å; K323-S327 PolarHBondContact O-OG 3.27Å; G325-S327 VanDerWaalsContact C-N 3.32Å; G325-S327 PolarHBondContact O-N 3.39Å; S327-T330 PolarHBondContact O-OG1 3.29Å; S327-T330 VanDerWaalsContact O-OG1 3.08Å; S327-T331 PolarHBondContact O-N 2.97Å; S327-T331 VanDerWaalsContact O-N 3.09Å; S327-T331 PolarHBondContact O-OG1 3.36Å
328A95.6Very high96.4Very high4 Ų426.1 Ų26.13%0.03313%0.134CC..Hα-helixtrans-64.7-40.8178.600000111.8P287 Q324 G325 A332P287-A328 HydrophobicContact CB-CB 4.08Å; P287-A328 HydrophobicContact CG-CB 3.83Å; Q324-A328 VanDerWaalsContact O-CB 3.31Å; Q324-A328 WeakPolarHBondContact O-CB 3.47Å; Q324-A328 PolarHBondContact O-N 3.21Å; G325-A328 PolarHBondContact O-N 3.37Å; A328-A332 WeakPolarHBondContact O-CB 3.17Å; A328-A332 PolarHBondContact O-N 3.49Å
329E97.3Very high96Very high2 Ų230.3 Ų30.31%0.00915%0.154CC..Hα-helixtrans-66.7-44.7178.2177167-147.300112.2A317 H318 A319 G325 T331 A332 I333 N422 F424A317-E329 VanDerWaalsContact CA-OE1 3.3Å; A317-E329 WeakPolarHBondContact CA-OE1 3.41Å; A317-E329 WeakPolarHBondContact CB-OE1 3.16Å; H318-E329 VanDerWaalsContact N-CD 3.35Å; H318-E329 PolarHBondContact N-OE1 3.04Å; H318-E329 PolarHBondContact N-OE2 3.27Å; H318-E329 VanDerWaalsContact N-OE2 3.15Å; A319-E329 WeakPolarHBondContact CA-OE2 3.31Å; A319-E329 PolarHBondContact N-OE2 3.17Å; G325-E329 WeakPolarHBondContact O-CB 3.4Å; G325-E329 PolarHBondContact O-N 2.83Å; E329-T331 PolarHBondContact O-N 3.15Å; E329-A332 WeakPolarHBondContact O-CB 3.37Å; E329-A332 PolarHBondContact O-N 3.27Å; E329-A332 VanDerWaalsContact O-N 3.17Å; E329-I333 HydrophobicContact CG-CD1 3.67Å; E329-I333 HydrophobicContact CG-CG1 4.21Å; E329-I333 VanDerWaalsContact O-CG1 3.3Å; E329-I333 WeakPolarHBondContact O-CG1 3.17Å; E329-I333 PolarHBondContact O-N 2.8Å; E329-N422 VanDerWaalsContact OE1-CB 3.31Å; E329-N422 WeakPolarHBondContact OE1-CB 2.94Å; E329-N422 PolarHBondContact OE1-ND2 2.91Å; E329-F424 HydrophobicContact CB-CE2 4.05Å; E329-F424 HydrophobicContact CG-CE2 3.79Å; E329-F424 WeakPolarHBondContact OE1-CE2 3.32Å
330T96.7Very high95.4Very high0 Ų033.9 Ų33.90%019%0.191CC..Hα-helixtrans-65.4-39.1178.747.60000112.6F237 D326 S327 A332 I333 Y334 V393 M397 F399F237-T330 HydrophobicContact CD1-CG2 3.68Å; F237-T330 HydrophobicContact CE1-CG2 3.52Å; F237-T330 HydrophobicContact CZ-CG2 4.48Å; D326-T330 WeakPolarHBondContact O-CB 3.43Å; D326-T330 WeakPolarHBondContact O-CG2 3.47Å; D326-T330 PolarHBondContact O-N 2.7Å; D326-T330 PolarHBondContact O-OG1 3.36Å; S327-T330 PolarHBondContact O-OG1 3.29Å; S327-T330 VanDerWaalsContact O-OG1 3.08Å; T330-A332 VanDerWaalsContact C-N 3.33Å; T330-A332 PolarHBondContact O-N 3.47Å; T330-I333 PolarHBondContact O-N 3.04Å; T330-Y334 WeakPolarHBondContact O-CB 3.39Å; T330-Y334 PolarHBondContact O-N 3.4Å; T330-V393 HydrophobicContact CG2-CB 4.11Å; T330-V393 HydrophobicContact CG2-CG1 3.89Å; T330-V393 HydrophobicContact CG2-CG2 4.27Å; T330-M397 HydrophobicContact CG2-CG 3.88Å; T330-F399 HydrophobicContact CG2-CE1 4.47Å; T330-F399 HydrophobicContact CG2-CZ 4.09Å
331T96.2Very high94.8Very high20 Ų2035.2 Ų35.212%0.12321%0.207CC..Hα-helixtrans-56.5-48.7169.3-60.90000111.1S327 E329 I333 Y334 E335 P394S327-T331 PolarHBondContact O-N 2.97Å; S327-T331 VanDerWaalsContact O-N 3.09Å; S327-T331 PolarHBondContact O-OG1 3.36Å; E329-T331 PolarHBondContact O-N 3.15Å; T331-I333 PolarHBondContact O-N 2.99Å; T331-Y334 PolarHBondContact O-N 3.49Å; T331-E335 HydrophobicContact CG2-CG 4.48Å; T331-E335 WeakPolarHBondContact CG2-OE1 3.5Å; T331-E335 WeakPolarHBondContact O-CB 3.47Å; T331-E335 WeakPolarHBondContact O-CG 3.3Å; T331-E335 PolarHBondContact O-N 2.78Å; T331-P394 WeakPolarHBondContact OG1-CG 3.48Å
332A97.6Very high94.2Very high0 Ų043.2 Ų43.20%024%0.242CC..Hα-helixtrans-63.1-44-179.100000112.8A294 K295 M298 A328 E329 T330 I336A294-A332 HydrophobicContact CB-CB 3.84Å; K295-A332 HydrophobicContact CD-CB 4.47Å; K295-A332 HydrophobicContact CG-CB 3.55Å; M298-A332 HydrophobicContact CE-CB 3.38Å; A328-A332 WeakPolarHBondContact O-CB 3.17Å; A328-A332 PolarHBondContact O-N 3.49Å; E329-A332 WeakPolarHBondContact O-CB 3.37Å; E329-A332 PolarHBondContact O-N 3.27Å; E329-A332 VanDerWaalsContact O-N 3.17Å; T330-A332 VanDerWaalsContact C-N 3.33Å; T330-A332 PolarHBondContact O-N 3.47Å; A332-I336 WeakPolarHBondContact O-CB 3.3Å; A332-I336 VanDerWaalsContact O-CG1 3.28Å; A332-I336 WeakPolarHBondContact O-CG1 3.49Å; A332-I336 PolarHBondContact O-N 3.38Å; A332-I336 VanDerWaalsContact O-N 3.08Å
333I97.4Very high93.6Very high1 Ų142.7 Ų42.71%0.00524%0.235CC..Hα-helixtrans-63.5-47.5177.5-65.3165.9000110M298 V315 A317 E329 T330 T331 E335 I336 A337 P349 V351 M397M298-I333 HydrophobicContact CE-CG1 4.31Å; M298-I333 HydrophobicContact SD-CG1 4Å; V315-I333 HydrophobicContact CB-CD1 4.42Å; V315-I333 HydrophobicContact CG1-CD1 3.75Å; V315-I333 HydrophobicContact CG1-CG1 4.17Å; V315-I333 HydrophobicContact CG2-CG2 4.11Å; A317-I333 HydrophobicContact CB-CD1 4.47Å; E329-I333 HydrophobicContact CG-CD1 3.67Å; E329-I333 HydrophobicContact CG-CG1 4.21Å; E329-I333 VanDerWaalsContact O-CG1 3.3Å; E329-I333 WeakPolarHBondContact O-CG1 3.17Å; E329-I333 PolarHBondContact O-N 2.8Å; T330-I333 PolarHBondContact O-N 3.04Å; T331-I333 PolarHBondContact O-N 2.99Å; I333-E335 PolarHBondContact O-N 3.04Å; I333-I336 PolarHBondContact O-N 3Å; I333-A337 VanDerWaalsContact O-CB 3.27Å; I333-A337 WeakPolarHBondContact O-CB 3.22Å; I333-A337 PolarHBondContact O-N 2.88Å; I333-P349 HydrophobicContact CG2-CG 4.37Å; I333-V351 HydrophobicContact CD1-CG1 4.19Å; I333-V351 HydrophobicContact CG2-CG2 4.2Å; I333-M397 HydrophobicContact CB-CE 3.9Å; I333-M397 HydrophobicContact CG2-CE 3.54Å
334Y95.7Very high93.1Very high40 Ų4039.1 Ų39.116%0.15723%0.23CC..Hα-helixtrans-60.6-47.1-179.7-174.4-82000111.4T330 T331 A337 N338 M395 M397T330-Y334 WeakPolarHBondContact O-CB 3.39Å; T330-Y334 PolarHBondContact O-N 3.4Å; T331-Y334 PolarHBondContact O-N 3.49Å; Y334-A337 PolarHBondContact O-N 3.11Å; Y334-N338 HydrophobicContact CE1-CB 4.43Å; Y334-N338 WeakPolarHBondContact O-CB 3.44Å; Y334-N338 PolarHBondContact O-N 3.37Å; Y334-N338 PolarHBondContact O-ND2 3.49Å; Y334-M395 HydrophobicContact CD1-CE 3.1Å; Y334-M395 HydrophobicContact CD1-CG 4.47Å; Y334-M395 HydrophobicContact CD2-CB 3.84Å; Y334-M395 HydrophobicContact CD2-CE 4.36Å; Y334-M395 HydrophobicContact CE1-CE 3.44Å; Y334-M395 VanDerWaalsContact CE1-CE 3.44Å; Y334-M395 HydrophobicContact CG-CB 3.82Å; Y334-M395 HydrophobicContact CG-CE 3.62Å; Y334-M395 HydrophobicContact CG-CG 4.03Å; Y334-M397 HydrophobicContact CD2-SD 4.09Å; Y334-M397 HydrophobicContact CG-SD 4.48Å
335E95.7Very high92.6Very high80 Ų8037.6 Ų37.637%0.37423%0.226SC..Hα-helixtrans-63.8-43.1-179.7-74.2-177.2-167.600112.3K295 T331 I333 N338 E339K295-E335 HydrophobicContact CD-CB 4.13Å; K295-E335 WeakPolarHBondContact CD-OE2 3.36Å; K295-E335 WeakPolarHBondContact CE-OE2 3.28Å; K295-E335 IonicContact NZ-OE1 2.61Å; K295-E335 IonicContact NZ-OE2 2.97Å; K295-E335 PolarHBondContact NZ-OE2 3.27Å; T331-E335 HydrophobicContact CG2-CG 4.48Å; T331-E335 WeakPolarHBondContact CG2-OE1 3.5Å; T331-E335 WeakPolarHBondContact O-CB 3.47Å; T331-E335 WeakPolarHBondContact O-CG 3.3Å; T331-E335 PolarHBondContact O-N 2.78Å; I333-E335 PolarHBondContact O-N 3.04Å; E335-N338 CarbonylContact O-C 3.57Å; E335-N338 PolarHBondContact O-N 2.88Å; E335-E339 PolarHBondContact O-N 3.18Å
336I96.5Very high91.9Very high2 Ų246.3 Ų46.31%0.0126%0.259CS..Hα-helixtrans-63.5-44.8176.1-68.7-67.9000110.9K295 M298 R299 L302 P309 A332 I333 N338 E339K295-I336 HydrophobicContact CB-CD1 4.24Å; K295-I336 HydrophobicContact CB-CG1 4.37Å; K295-I336 HydrophobicContact CG-CG1 4.25Å; M298-I336 HydrophobicContact CB-CG1 4.16Å; M298-I336 HydrophobicContact CB-CG2 4.48Å; M298-I336 HydrophobicContact CE-CG1 4.29Å; R299-I336 HydrophobicContact CB-CD1 4.12Å; L302-I336 HydrophobicContact CD1-CG2 3.68Å; P309-I336 VanDerWaalsContact CB-O 3.28Å; P309-I336 WeakPolarHBondContact CB-O 3.09Å; A332-I336 WeakPolarHBondContact O-CB 3.3Å; A332-I336 VanDerWaalsContact O-CG1 3.28Å; A332-I336 WeakPolarHBondContact O-CG1 3.49Å; A332-I336 PolarHBondContact O-N 3.38Å; A332-I336 VanDerWaalsContact O-N 3.08Å; I333-I336 PolarHBondContact O-N 3Å; I336-N338 PolarHBondContact O-N 3.17Å; I336-E339 PolarHBondContact O-N 3.28Å
337A94.7Very high91.4Very high5 Ų551.4 Ų51.44%0.04128%0.283CS..Hα-helixtrans-64.3-21177.500000112.8I333 Y334 R343 P349I333-A337 VanDerWaalsContact O-CB 3.27Å; I333-A337 WeakPolarHBondContact O-CB 3.22Å; I333-A337 PolarHBondContact O-N 2.88Å; Y334-A337 PolarHBondContact O-N 3.11Å; A337-R343 PolarHBondContact O-NE 3.23Å; A337-R343 PolarHBondContact O-NH2 3.06Å; A337-P349 HydrophobicContact CB-CG 4.08Å
338N94.6Very high91.2Very high22 Ų2250 Ų5012%0.11827%0.272CS..THydrogen-bonded Turntrans-114.813.6-177.7-64.5-88.7000113Y334 E335 I336 G340 G341 K342 R343 Q348Y334-N338 HydrophobicContact CE1-CB 4.43Å; Y334-N338 WeakPolarHBondContact O-CB 3.44Å; Y334-N338 PolarHBondContact O-N 3.37Å; Y334-N338 PolarHBondContact O-ND2 3.49Å; E335-N338 CarbonylContact O-C 3.57Å; E335-N338 PolarHBondContact O-N 2.88Å; I336-N338 PolarHBondContact O-N 3.17Å; N338-G340 VanDerWaalsContact C-N 3.27Å; N338-G340 PolarHBondContact O-N 3.46Å; N338-G341 WeakPolarHBondContact CA-O 3.48Å; N338-G341 CarbonylContact O-C 3.52Å; N338-G341 PolarHBondContact O-N 2.76Å; N338-K342 WeakPolarHBondContact OD1-CA 3.37Å; N338-R343 PolarHBondContact OD1-N 3.25Å; N338-Q348 PolarHBondContact ND2-NE2 2.99Å; N338-Q348 PolarHBondContact ND2-OE1 2.92Å; N338-Q348 PolarHBondContact OD1-NE2 3.25Å
339E90Very high91.2Very high105 Ų10550 Ų5049%0.49127%0.272SS..THydrogen-bonded Turntrans-62-33.4-178.6-171.7167.4-143.200112.3R299 E335 I336R299-E339 IonicContact CZ-OE1 3.75Å; R299-E339 VanDerWaalsContact CZ-OE1 3.31Å; R299-E339 IonicContact NE-OE1 2.62Å; R299-E339 PolarHBondContact NE-OE1 3.19Å; R299-E339 IonicContact NE-OE2 3.79Å; R299-E339 PolarHBondContact NE-OE2 3.49Å; R299-E339 IonicContact NH2-OE1 3.82Å; R299-E339 PolarHBondContact NH2-OE1 3.38Å; R299-E339 IonicContact NH2-OE2 2.72Å; E335-E339 PolarHBondContact O-N 3.18Å; I336-E339 PolarHBondContact O-N 3.28Å
340G85.6Confident91.2Very high75 Ų7550.1 Ų50.177%0.77327%0.273SS*.THydrogen-bonded Turntrans-86.33.1174.800000115.3N338N338-G340 VanDerWaalsContact C-N 3.27Å; N338-G340 PolarHBondContact O-N 3.46Å
341G86.2Confident91.2Very high39 Ų3950.1 Ų50.140%0.40227%0.273SS..SBendtrans129.2155.4-173.600000112.4N338 R343N338-G341 WeakPolarHBondContact CA-O 3.48Å; N338-G341 CarbonylContact O-C 3.52Å; N338-G341 PolarHBondContact O-N 2.76Å; G341-R343 PolarHBondContact O-N 2.89Å
342K84.6Confident91.3Very high169 Ų16949.2 Ų49.274%0.73527%0.267SS*.PPolyproline II helixtrans-68.2118-180-175.4178.6179.5-178.50110.3N338N338-K342 WeakPolarHBondContact OD1-CA 3.37Å
343R83.8Confident91.3Very high24 Ų2449.2 Ų49.29%0.09127%0.267CS..PPolyproline II helixtrans-81.3156.5173.8-57.7-172.1-172.2155.919.2112P309 E310 A337 N338 G341 E347 Q348P309-R343 VanDerWaalsContact CB-NH2 3.28Å; P309-R343 PolarHBondContact O-NH1 3.29Å; P309-R343 PolarHBondContact O-NH2 2.99Å; E310-R343 IonicContact OE2-NH2 3.68Å; A337-R343 PolarHBondContact O-NE 3.23Å; A337-R343 PolarHBondContact O-NH2 3.06Å; N338-R343 PolarHBondContact OD1-N 3.25Å; G341-R343 PolarHBondContact O-N 2.89Å; R343-E347 HydrophobicContact CB-CB 3.99Å; R343-E347 WeakPolarHBondContact CD-O 3.45Å; R343-Q348 PolarHBondContact O-NE2 2.89Å
344A84.6Confident91.4Very high54 Ų5449.2 Ų49.245%0.44627%0.267SS..PPolyproline II helixtrans-63.6152.7167.300000110.4K346 E347 Q348A344-K346 PolarHBondContact O-N 3.02Å; A344-K346 VanDerWaalsContact O-N 3.1Å; A344-E347 HydrophobicContact CB-CG 4.22Å; A344-E347 PolarHBondContact N-OE2 3.41Å; A344-E347 VanDerWaalsContact N-OE2 3.15Å; A344-E347 WeakPolarHBondContact O-CB 3.31Å; A344-E347 PolarHBondContact O-N 3.45Å; A344-Q348 PolarHBondContact O-N 3.04Å
345D83.9Confident91.5Very high93 Ų9347.3 Ų47.350%0.49726%0.26SS..G310 helixtrans-56-33.1-178-67.3-22.8000112.8E347 Q348 N396D345-E347 VanDerWaalsContact C-N 3.3Å; D345-E347 PolarHBondContact O-N 3.32Å; D345-Q348 WeakPolarHBondContact O-CB 3.45Å; D345-Q348 PolarHBondContact O-N 3.18Å; D345-N396 PolarHBondContact OD1-ND2 3.45Å
346K79.8Confident91.6Very high202 Ų20243.5 Ų43.588%0.87824%0.242SC*.G310 helixtrans-75-15.8177.9-66.1-175.5179.1179.90114.4A344A344-K346 PolarHBondContact O-N 3.02Å; A344-K346 VanDerWaalsContact O-N 3.1Å
347E86.8Confident91.7Very high107 Ų10743.6 Ų43.650%0.524%0.243SC..G310 helixtrans-99.3-4.1179-64.2172164.200111.7R343 A344 D345R343-E347 HydrophobicContact CB-CB 3.99Å; R343-E347 WeakPolarHBondContact CD-O 3.45Å; A344-E347 HydrophobicContact CB-CG 4.22Å; A344-E347 PolarHBondContact N-OE2 3.41Å; A344-E347 VanDerWaalsContact N-OE2 3.15Å; A344-E347 WeakPolarHBondContact O-CB 3.31Å; A344-E347 PolarHBondContact O-N 3.45Å; D345-E347 VanDerWaalsContact C-N 3.3Å; D345-E347 PolarHBondContact O-N 3.32Å
348Q92Very high91.9Very high5 Ų543.6 Ų43.62%0.02324%0.242CC..SBendtrans-66.8139.9169.8-60.7-64.3-24.300109.1N338 R343 A344 D345 L350 N398N338-Q348 PolarHBondContact ND2-NE2 2.99Å; N338-Q348 PolarHBondContact ND2-OE1 2.92Å; N338-Q348 PolarHBondContact OD1-NE2 3.25Å; R343-Q348 PolarHBondContact O-NE2 2.89Å; A344-Q348 PolarHBondContact O-N 3.04Å; D345-Q348 WeakPolarHBondContact O-CB 3.45Å; D345-Q348 PolarHBondContact O-N 3.18Å; Q348-L350 PolarHBondContact O-N 2.75Å; Q348-N398 HydrophobicContact CB-CB 4.02Å; Q348-N398 PolarHBondContact O-ND2 3.3Å
349P95.1Very high92.1Very high5 Ų542.6 Ų42.63%0.03224%0.237CC..PPolyproline II helixtrans-59.1142.6176.826.1-34.3000110.1V312 V315 I333 A337V312-P349 HydrophobicContact CG1-CB 4.45Å; V315-P349 HydrophobicContact CG2-CB 4.15Å; V315-P349 HydrophobicContact CG2-CG 4.29Å; I333-P349 HydrophobicContact CG2-CG 4.37Å; A337-P349 HydrophobicContact CB-CG 4.08Å
350L96.9Very high92.5Very high5 Ų537.8 Ų37.83%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-65.7136.4170.9-166.569.6000108.8G313 Y314 V315 Q348 V382 N398 T406 P409G313-L350 PolarHBondContact O-N 2.74Å; Y314-L350 CarbonylContact C-O 3.46Å; Y314-L350 WeakPolarHBondContact CA-O 3.5Å; Y314-L350 HydrophobicContact CD2-CB 4.32Å; Y314-L350 WeakPolarHBondContact CD2-O 3.37Å; V315-L350 PolarHBondContact N-O 3.47Å; Q348-L350 PolarHBondContact O-N 2.75Å; L350-V382 HydrophobicContact CD2-CB 3.81Å; L350-V382 HydrophobicContact CD2-CG1 3.82Å; L350-V382 HydrophobicContact CD2-CG2 4.03Å; L350-N398 CarbonylContact C-O 3.43Å; L350-N398 VanDerWaalsContact CA-O 3.31Å; L350-N398 WeakPolarHBondContact CA-O 3.27Å; L350-T406 HydrophobicContact CD2-CG2 3.79Å; L350-P409 HydrophobicContact CB-CG 3.69Å; L350-P409 HydrophobicContact CD2-CG 4.39Å
351V98Very high93.1Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-120.7133.9179.3-175.50000109.8F237 V315 A317 I333 M397 N398 F399 S400F237-V351 HydrophobicContact CE2-CG1 4.41Å; F237-V351 HydrophobicContact CZ-CG1 4.1Å; V315-V351 HydrophobicContact CB-CG2 4.31Å; V315-V351 WeakPolarHBondContact O-CA 3.5Å; A317-V351 HydrophobicContact CB-CG1 3.96Å; I333-V351 HydrophobicContact CD1-CG1 4.19Å; I333-V351 HydrophobicContact CG2-CG2 4.2Å; V351-M397 HydrophobicContact CG2-CE 3.63Å; V351-N398 PolarHBondContact N-O 2.87Å; V351-F399 HydrophobicContact CB-CD1 3.9Å; V351-F399 HydrophobicContact CB-CE1 4.1Å; V351-F399 HydrophobicContact CG1-CD1 4.12Å; V351-F399 HydrophobicContact CG1-CE1 3.96Å; V351-F399 CarbonylContact O-C 3.48Å; V351-F399 VanDerWaalsContact O-CA 3.26Å; V351-F399 WeakPolarHBondContact O-CA 3.28Å; V351-S400 PolarHBondContact O-N 3.18Å
352S98Very high93.6Very high0 Ų032.6 Ų32.60%016%0.159CC..EExtended strand (participates in β ladder)trans-148.8170.817177.50000111.4Y314 V315 A317 S400Y314-S352 WeakPolarHBondContact CE2-OG 3.28Å; Y314-S352 PolarHBondContact OH-OG 3.21Å; V315-S352 PolarHBondContact O-N 2.71Å; V315-S352 VanDerWaalsContact O-N 3.17Å; A317-S352 WeakPolarHBondContact CB-O 3.4Å; A317-S352 PolarHBondContact N-O 3.05Å; S352-S400 WeakPolarHBondContact CB-OG 3.27Å
353S98.2Very high94.3Very high1 Ų124.5 Ų24.51%0.00712%0.124CC..  trans-141.4142.4170.5-174.90000110A317 A319 K355A317-S353 PolarHBondContact O-OG 2.8Å; A319-S353 PolarHBondContact O-OG 2.75Å; S353-K355 VanDerWaalsContact C-N 3.31Å
354C97.7Very high95Very high1 Ų123.4 Ų23.41%0.00712%0.12CC..SBendtrans-84.4-9.2-178.4-56.60000112.7L35 G356 A357 I358 E369L35-C354 HydrophobicContact CD1-CB 4.28Å; L35-C354 HydrophobicContact CD2-CB 4.43Å; C354-G356 PolarHBondContact O-N 2.86Å; C354-A357 WeakPolarHBondContact O-CB 3.31Å; C354-A357 PolarHBondContact O-N 2.8Å; C354-I358 HydrophobicContact CB-CD1 4.24Å; C354-I358 HydrophobicContact CB-CG1 4.35Å; C354-I358 WeakPolarHBondContact O-CG1 3.49Å; C354-I358 PolarHBondContact O-N 3.35Å; C354-I358 VanDerWaalsContact O-N 3.15Å; C354-E369 HydrophobicContact CB-CG 4.49Å
355K98.6Very high95.6Very high0 Ų020.8 Ų20.80%010%0.099CC..Hα-helixtrans-65.4-23.5-170.4-62.8-174.5177.559.80113.4S234 P236 H318 A319 T320 S353 A357 G359 H360 E369S234-K355 VanDerWaalsContact CB-O 3.26Å; S234-K355 WeakPolarHBondContact CB-O 3.39Å; S234-K355 VanDerWaalsContact OG-C 3.29Å; S234-K355 PolarHBondContact OG-O 3.41Å; S234-K355 VanDerWaalsContact OG-O 3.06Å; P236-K355 HydrophobicContact CG-CB 4.28Å; H318-K355 VanDerWaalsContact O-CD 3.31Å; H318-K355 WeakPolarHBondContact O-CD 3.12Å; H318-K355 WeakPolarHBondContact O-CE 3.4Å; H318-K355 PolarHBondContact O-NZ 3.07Å; A319-K355 WeakPolarHBondContact O-CD 3.44Å; T320-K355 HydrophobicContact CG2-CD 3.88Å; S353-K355 VanDerWaalsContact C-N 3.31Å; K355-A357 PolarHBondContact O-N 3.23Å; K355-G359 WeakPolarHBondContact CA-O 3.43Å; K355-G359 WeakPolarHBondContact CB-O 3.07Å; K355-G359 WeakPolarHBondContact CG-O 3.26Å; K355-G359 WeakPolarHBondContact O-CA 3.37Å; K355-G359 PolarHBondContact O-N 3.46Å; K355-H360 HydrophobicContact CD-CB 4.08Å; K355-H360 WeakPolarHBondContact CE-ND1 3.5Å; K355-E369 VanDerWaalsContact CE-OE1 3.32Å; K355-E369 WeakPolarHBondContact CE-OE1 3.11Å; K355-E369 WeakPolarHBondContact CG-OE1 3.48Å; K355-E369 IonicContact NZ-OE1 3.61Å; K355-E369 PolarHBondContact NZ-OE1 3.06Å; K355-E369 IonicContact NZ-OE2 3.84Å; K355-E369 PolarHBondContact NZ-OE2 2.91Å
356G98.3Very high96.3Very high0 Ų016.4 Ų16.40%08%0.075CC..Hα-helixtrans-59.7-28.5169.600000113.6I42 S234 C354I42-G356 WeakPolarHBondContact CD1-O 3.45Å; S234-G356 WeakPolarHBondContact O-CA 3.37Å; C354-G356 PolarHBondContact O-N 2.86Å
357A98.6Very high97.2Very high4 Ų46.8 Ų6.83%0.0333%0.033CC..Hα-helixtrans-93.2-44.8177.800000112.7L24 L35 H39 G41 C354 K355L24-A357 HydrophobicContact CD1-CB 4.3Å; L35-A357 HydrophobicContact CD1-CB 3.61Å; H39-A357 VanDerWaalsContact O-CB 3.28Å; H39-A357 WeakPolarHBondContact O-CB 3.25Å; G41-A357 PolarHBondContact N-O 2.8Å; C354-A357 WeakPolarHBondContact O-CB 3.31Å; C354-A357 PolarHBondContact O-N 2.8Å; K355-A357 PolarHBondContact O-N 3.23Å
358I98.6Very high97.8Very high5 Ų52 Ų23%0.0261%0.011CC..Hα-helixtrans-108.82.4-170.362.2172.6000114.3P23 L24 A59 C354 L361 V368P23-I358 HydrophobicContact CG-CB 4.42Å; L24-I358 HydrophobicContact CD1-CG2 3.71Å; L24-I358 HydrophobicContact CG-CG2 3.76Å; A59-I358 WeakPolarHBondContact CB-O 3.45Å; C354-I358 HydrophobicContact CB-CD1 4.24Å; C354-I358 HydrophobicContact CB-CG1 4.35Å; C354-I358 WeakPolarHBondContact O-CG1 3.49Å; C354-I358 PolarHBondContact O-N 3.35Å; C354-I358 VanDerWaalsContact O-N 3.15Å; I358-L361 HydrophobicContact CB-CD1 3.84Å; I358-L361 HydrophobicContact CD1-CD1 3.71Å; I358-L361 HydrophobicContact CD1-CD2 4.34Å; I358-L361 HydrophobicContact CG1-CD1 3.7Å; I358-L361 WeakPolarHBondContact O-CD1 3.28Å; I358-V368 HydrophobicContact CD1-CG1 3.84Å
359G98.5Very high98.1Very high0 Ų01.7 Ų1.70%01%0.01CC..  trans62.9-164.8-167.400000111.9K355K355-G359 WeakPolarHBondContact CA-O 3.43Å; K355-G359 WeakPolarHBondContact CB-O 3.07Å; K355-G359 WeakPolarHBondContact CG-O 3.26Å; K355-G359 WeakPolarHBondContact O-CA 3.37Å; K355-G359 PolarHBondContact O-N 3.46Å
360H98.5Very high98.3Very high5 Ų51.5 Ų1.52%0.0231%0.009CC..BIsolated β-bridgetrans-101.9105.9174.8-176.825.5000110.4C177 F244 V245 G247 H318 K355 L362C177-H360 PolarHBondContact SG-NE2 3.12Å; F244-H360 HydrophobicContact CB-CB 4.26Å; F244-H360 HydrophobicContact CD2-CB 3.81Å; F244-H360 AromaticContact CD2-CD2 3.98Å; F244-H360 HydrophobicContact CG-CB 4.37Å; V245-H360 PolarHBondContact O-N 2.79Å; G247-H360 PolarHBondContact N-O 3.37Å; H318-H360 AromaticContact CE1-CE1 3.79Å; K355-H360 HydrophobicContact CD-CB 4.08Å; K355-H360 WeakPolarHBondContact CE-ND1 3.5Å; H360-L362 PolarHBondContact ND1-N 3.37Å; H360-L362 PolarHBondContact O-N 2.89Å
361L98.5Very high98.4Very high0 Ų01.5 Ų1.50%01%0.009CC..  trans-74.617.4-178.6-74.664.7000113.8E205 I358 G363 A364 A365 V368E205-L361 WeakPolarHBondContact CB-O 3.49Å; I358-L361 HydrophobicContact CB-CD1 3.84Å; I358-L361 HydrophobicContact CD1-CD1 3.71Å; I358-L361 HydrophobicContact CD1-CD2 4.34Å; I358-L361 HydrophobicContact CG1-CD1 3.7Å; I358-L361 WeakPolarHBondContact O-CD1 3.28Å; L361-G363 PolarHBondContact O-N 2.79Å; L361-G363 VanDerWaalsContact O-N 3.09Å; L361-A364 HydrophobicContact CB-CB 4.01Å; L361-A364 WeakPolarHBondContact O-CA 3.46Å; L361-A364 PolarHBondContact O-N 2.84Å; L361-A365 HydrophobicContact CB-CB 4.14Å; L361-A365 PolarHBondContact O-N 3.05Å; L361-V368 HydrophobicContact CD2-CB 4.21Å; L361-V368 HydrophobicContact CD2-CG1 4.36Å; L361-V368 HydrophobicContact CD2-CG2 3.79Å
362L97.5Very high98.5Very high4 Ų42 Ų22%0.0211%0.012CC..G310 helixtrans48.1-114.9179.4-50.5153.8000111.1M122 E205 F216 F244 M246 H360 A364 A365M122-L362 HydrophobicContact CE-CB 4.23Å; M122-L362 HydrophobicContact CE-CD1 3.41Å; M122-L362 VanDerWaalsContact CE-CD1 3.41Å; M122-L362 HydrophobicContact CE-CD2 4.09Å; M122-L362 HydrophobicContact CE-CG 4.1Å; E205-L362 HydrophobicContact CG-CB 4.02Å; E205-L362 HydrophobicContact CG-CD1 3.99Å; F216-L362 HydrophobicContact CE2-CD2 4.33Å; F216-L362 HydrophobicContact CZ-CD2 4.12Å; F244-L362 HydrophobicContact CE2-CD2 3.99Å; F244-L362 HydrophobicContact CZ-CD2 4.14Å; M246-L362 HydrophobicContact CE-CD1 4.15Å; H360-L362 PolarHBondContact ND1-N 3.37Å; H360-L362 PolarHBondContact O-N 2.89Å; L362-A364 VanDerWaalsContact C-N 3.27Å; L362-A364 PolarHBondContact O-N 3.41Å; L362-A365 WeakPolarHBondContact O-CB 3.45Å; L362-A365 PolarHBondContact O-N 3.43Å
363G97.9Very high98.5Very high0 Ų02 Ų20%01%0.012CC..G310 helixtrans-63.2-26.717900000115A176 G180 S203 E205 L361A176-G363 WeakPolarHBondContact O-CA 3.48Å; G180-G363 PolarHBondContact N-O 2.79Å; S203-G363 WeakPolarHBondContact CB-O 3.3Å; S203-G363 PolarHBondContact OG-O 2.88Å; E205-G363 PolarHBondContact OE2-N 3.17Å; L361-G363 PolarHBondContact O-N 2.79Å; L361-G363 VanDerWaalsContact O-N 3.09Å
364A98.6Very high98.5Very high0 Ų02 Ų20%01%0.011CC..G310 helixtrans-85.6-10.2177.200000114.2S203 E205 G249 L361 L362 G366 S367 V368S203-A364 VanDerWaalsContact OG-CA 3.31Å; S203-A364 WeakPolarHBondContact OG-CA 3.37Å; E205-A364 HydrophobicContact CB-CB 3.75Å; G249-A364 VanDerWaalsContact O-CB 3.3Å; G249-A364 WeakPolarHBondContact O-CB 3.45Å; L361-A364 HydrophobicContact CB-CB 4.01Å; L361-A364 WeakPolarHBondContact O-CA 3.46Å; L361-A364 PolarHBondContact O-N 2.84Å; L362-A364 VanDerWaalsContact C-N 3.27Å; L362-A364 PolarHBondContact O-N 3.41Å; A364-G366 VanDerWaalsContact C-N 3.35Å; A364-G366 PolarHBondContact O-N 3.08Å; A364-S367 PolarHBondContact O-N 3.18Å; A364-S367 PolarHBondContact O-OG 3.45Å; A364-S367 VanDerWaalsContact O-OG 3.06Å; A364-V368 PolarHBondContact O-N 3.42Å
365A98.5Very high98.6Very high0 Ų02.4 Ų2.40%01%0.014CC..Hα-helixtrans-62.1-43.7-177.900000112L361 L362 S367 E369L361-A365 HydrophobicContact CB-CB 4.14Å; L361-A365 PolarHBondContact O-N 3.05Å; L362-A365 WeakPolarHBondContact O-CB 3.45Å; L362-A365 PolarHBondContact O-N 3.43Å; A365-S367 VanDerWaalsContact C-N 3.34Å; A365-S367 PolarHBondContact O-N 3.28Å; A365-E369 VanDerWaalsContact O-CB 3.22Å; A365-E369 WeakPolarHBondContact O-CB 3.08Å; A365-E369 VanDerWaalsContact O-CG 3.27Å; A365-E369 WeakPolarHBondContact O-CG 3.46Å; A365-E369 PolarHBondContact O-N 3.39Å
366G98.6Very high98.6Very high0 Ų02.4 Ų2.40%01%0.014CC..Hα-helixtrans-55.6-45.7-179.100000113.4A364 T370 K421 S423A364-G366 VanDerWaalsContact C-N 3.35Å; A364-G366 PolarHBondContact O-N 3.08Å; G366-T370 PolarHBondContact O-N 3.33Å; G366-T370 VanDerWaalsContact O-N 3.11Å; G366-T370 PolarHBondContact O-OG1 3.2Å; G366-K421 VanDerWaalsContact O-CE 3.25Å; G366-K421 WeakPolarHBondContact O-CE 3.41Å; G366-S423 WeakPolarHBondContact CA-OG 3.29Å
367S98.8Very high98.6Very high0 Ų02.4 Ų2.40%01%0.014CC..Hα-helixtrans-77.4-45.2-174.754.70000113S203 G251 A364 A365 E369 T370 I371S203-S367 PolarHBondContact N-OG 2.77Å; S203-S367 PolarHBondContact O-OG 2.71Å; S203-S367 PolarHBondContact OG-OG 3.01Å; G251-S367 VanDerWaalsContact O-CB 3.27Å; G251-S367 WeakPolarHBondContact O-CB 3.49Å; G251-S367 PolarHBondContact O-OG 3.14Å; A364-S367 PolarHBondContact O-N 3.18Å; A364-S367 PolarHBondContact O-OG 3.45Å; A364-S367 VanDerWaalsContact O-OG 3.06Å; A365-S367 VanDerWaalsContact C-N 3.34Å; A365-S367 PolarHBondContact O-N 3.28Å; S367-E369 VanDerWaalsContact C-N 3.3Å; S367-E369 PolarHBondContact O-N 3.18Å; S367-T370 PolarHBondContact O-N 2.98Å; S367-I371 PolarHBondContact O-N 3.46Å
368V98.9Very high98.6Very high6 Ų66.3 Ų6.34%0.0363%0.028CC..Hα-helixtrans-60.3-42.7176.1173.50000110.9T22 I358 L361 A364 T370 I371 V372T22-V368 HydrophobicContact CG2-CG1 3.83Å; T22-V368 HydrophobicContact CG2-CG2 4.32Å; I358-V368 HydrophobicContact CD1-CG1 3.84Å; L361-V368 HydrophobicContact CD2-CB 4.21Å; L361-V368 HydrophobicContact CD2-CG1 4.36Å; L361-V368 HydrophobicContact CD2-CG2 3.79Å; A364-V368 PolarHBondContact O-N 3.42Å; V368-T370 VanDerWaalsContact C-N 3.35Å; V368-T370 PolarHBondContact O-N 2.88Å; V368-I371 WeakPolarHBondContact O-CB 3.47Å; V368-I371 PolarHBondContact O-N 3.42Å; V368-V372 WeakPolarHBondContact O-CG2 3.34Å; V368-V372 PolarHBondContact O-N 3.03Å; V368-V372 VanDerWaalsContact O-N 3.12Å
369E98.9Very high98.5Very high0 Ų010.8 Ų10.80%05%0.049CC..Hα-helixtrans-71.4-29.2178.8-72.1166.4-177.100112.5N316 C354 K355 A365 S367 V372 T373 K421N316-E369 PolarHBondContact ND2-O 3.25Å; C354-E369 HydrophobicContact CB-CG 4.49Å; K355-E369 VanDerWaalsContact CE-OE1 3.32Å; K355-E369 WeakPolarHBondContact CE-OE1 3.11Å; K355-E369 WeakPolarHBondContact CG-OE1 3.48Å; K355-E369 IonicContact NZ-OE1 3.61Å; K355-E369 PolarHBondContact NZ-OE1 3.06Å; K355-E369 IonicContact NZ-OE2 3.84Å; K355-E369 PolarHBondContact NZ-OE2 2.91Å; A365-E369 VanDerWaalsContact O-CB 3.22Å; A365-E369 WeakPolarHBondContact O-CB 3.08Å; A365-E369 VanDerWaalsContact O-CG 3.27Å; A365-E369 WeakPolarHBondContact O-CG 3.46Å; A365-E369 PolarHBondContact O-N 3.39Å; S367-E369 VanDerWaalsContact C-N 3.3Å; S367-E369 PolarHBondContact O-N 3.18Å; E369-V372 PolarHBondContact O-N 3.09Å; E369-T373 PolarHBondContact O-N 2.94Å; E369-T373 PolarHBondContact O-OG1 3.45Å; E369-K421 HydrophobicContact CB-CD 4.44Å; E369-K421 HydrophobicContact CB-CG 4.49Å; E369-K421 IonicContact OE2-NZ 2.78Å; E369-K421 PolarHBondContact OE2-NZ 2.97Å
370T98.9Very high98.4Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-66.2-38170.2-60.30000111.8L181 I184 L253 G366 S367 V368 V372 T373 A374 L433 L435L181-T370 WeakPolarHBondContact CD1-OG1 3.39Å; I184-T370 HydrophobicContact CD1-CG2 3.96Å; L253-T370 HydrophobicContact CD2-CG2 3.84Å; G366-T370 PolarHBondContact O-N 3.33Å; G366-T370 VanDerWaalsContact O-N 3.11Å; G366-T370 PolarHBondContact O-OG1 3.2Å; S367-T370 PolarHBondContact O-N 2.98Å; V368-T370 VanDerWaalsContact C-N 3.35Å; V368-T370 PolarHBondContact O-N 2.88Å; T370-V372 VanDerWaalsContact C-N 3.32Å; T370-V372 PolarHBondContact O-N 2.82Å; T370-T373 PolarHBondContact O-N 3.49Å; T370-A374 WeakPolarHBondContact O-CB 3.2Å; T370-A374 PolarHBondContact O-N 2.94Å; T370-L433 HydrophobicContact CG2-CD1 4.06Å; T370-L435 HydrophobicContact CG2-CD1 4.44Å; T370-L435 HydrophobicContact CG2-CD2 4Å
371I98.9Very high98.4Very high5 Ų513.4 Ų13.43%0.0267%0.069CC..Hα-helixtrans-57.6-48.6171.5-67.5166.9000109.7V18 G19 A20 A28 L253 S367 V368 T373 A374 L375V18-I371 HydrophobicContact CB-CD1 4.49Å; V18-I371 HydrophobicContact CB-CG1 4.2Å; V18-I371 HydrophobicContact CB-CG2 3.9Å; V18-I371 HydrophobicContact CG1-CG1 4.14Å; V18-I371 HydrophobicContact CG1-CG2 4.08Å; V18-I371 HydrophobicContact CG2-CG2 4.33Å; G19-I371 VanDerWaalsContact O-CD1 3.22Å; G19-I371 WeakPolarHBondContact O-CD1 3.26Å; A20-I371 HydrophobicContact CB-CD1 4.26Å; A28-I371 HydrophobicContact CB-CG2 4.39Å; L253-I371 HydrophobicContact CD1-CD1 4.22Å; L253-I371 HydrophobicContact CD1-CG1 3.75Å; L253-I371 HydrophobicContact CD2-CG1 4.1Å; L253-I371 HydrophobicContact CG-CD1 4.4Å; L253-I371 HydrophobicContact CG-CG1 3.69Å; S367-I371 PolarHBondContact O-N 3.46Å; V368-I371 WeakPolarHBondContact O-CB 3.47Å; V368-I371 PolarHBondContact O-N 3.42Å; I371-T373 VanDerWaalsContact C-N 3.31Å; I371-T373 PolarHBondContact O-N 3.04Å; I371-A374 PolarHBondContact O-N 3.01Å; I371-L375 HydrophobicContact CG2-CD1 3.96Å; I371-L375 HydrophobicContact CG2-CG 4.36Å; I371-L375 WeakPolarHBondContact O-CB 3.44Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.08Å
372V98.8Very high98.4Very high11 Ų1113.4 Ų13.47%0.0677%0.069CC..Hα-helixtrans-59.2-41.5176.9176.30000111.9W32 L35 V368 E369 T370 L375 S376 P383W32-V372 HydrophobicContact CE3-CG1 4.4Å; W32-V372 HydrophobicContact CZ3-CG1 3.94Å; L35-V372 HydrophobicContact CD2-CB 4.45Å; L35-V372 HydrophobicContact CD2-CG1 3.75Å; L35-V372 HydrophobicContact CD2-CG2 3.74Å; V368-V372 WeakPolarHBondContact O-CG2 3.34Å; V368-V372 PolarHBondContact O-N 3.03Å; V368-V372 VanDerWaalsContact O-N 3.12Å; E369-V372 PolarHBondContact O-N 3.09Å; T370-V372 VanDerWaalsContact C-N 3.32Å; T370-V372 PolarHBondContact O-N 2.82Å; V372-L375 PolarHBondContact O-N 2.94Å; V372-S376 WeakPolarHBondContact O-CB 3.49Å; V372-S376 PolarHBondContact O-N 3.38Å; V372-S376 PolarHBondContact O-OG 3.42Å; V372-P383 HydrophobicContact CG1-CG 3.64Å
373T98.9Very high98.5Very high0 Ų013.2 Ų13.20%07%0.068CC..Hα-helixtrans-65.8-44.1177.8-56.60000111.4Y314 N316 E369 T370 I371 L375 S376 C377 A419 K421 L435Y314-T373 HydrophobicContact CE1-CG2 4.5Å; N316-T373 VanDerWaalsContact CB-OG1 3.23Å; N316-T373 WeakPolarHBondContact CB-OG1 3.09Å; N316-T373 PolarHBondContact ND2-OG1 2.85Å; E369-T373 PolarHBondContact O-N 2.94Å; E369-T373 PolarHBondContact O-OG1 3.45Å; T370-T373 PolarHBondContact O-N 3.49Å; I371-T373 VanDerWaalsContact C-N 3.31Å; I371-T373 PolarHBondContact O-N 3.04Å; T373-L375 PolarHBondContact O-N 3.49Å; T373-S376 WeakPolarHBondContact O-CB 3.46Å; T373-S376 PolarHBondContact O-N 2.9Å; T373-C377 PolarHBondContact O-N 2.75Å; T373-A419 HydrophobicContact CG2-CB 3.53Å; T373-K421 HydrophobicContact CG2-CB 4.45Å; T373-L435 HydrophobicContact CG2-CD1 3.9Å
374A98.8Very high98.5Very high0 Ų013.4 Ų13.40%07%0.069CC..Hα-helixtrans-61.6-43176.200000111.7V15 A270 T370 I371 S376 C377 Y378 L435V15-A374 HydrophobicContact CG2-CB 4.49Å; A270-A374 HydrophobicContact CB-CB 3.96Å; T370-A374 WeakPolarHBondContact O-CB 3.2Å; T370-A374 PolarHBondContact O-N 2.94Å; I371-A374 PolarHBondContact O-N 3.01Å; A374-S376 VanDerWaalsContact C-N 3.33Å; A374-S376 PolarHBondContact O-N 3.08Å; A374-C377 WeakPolarHBondContact O-CB 3.48Å; A374-C377 PolarHBondContact O-N 3.17Å; A374-Y378 WeakPolarHBondContact O-CB 3.45Å; A374-Y378 PolarHBondContact O-N 3.49Å; A374-L435 HydrophobicContact CB-CD2 4.2Å
375L98.7Very high98.4Very high10 Ų1013.4 Ų13.45%0.0527%0.069CC..Hα-helixtrans-66.6-34.3175.3-68.5178000112.4W32 Y269 I371 V372 T373 Y378 H379W32-L375 HydrophobicContact CB-CD1 3.84Å; W32-L375 HydrophobicContact CD2-CB 3.95Å; W32-L375 HydrophobicContact CD2-CD1 3.88Å; W32-L375 HydrophobicContact CE3-CB 3.72Å; W32-L375 HydrophobicContact CE3-CD1 3.9Å; W32-L375 HydrophobicContact CE3-CG 4.49Å; W32-L375 HydrophobicContact CG-CD1 3.87Å; W32-L375 HydrophobicContact CH2-CB 4Å; W32-L375 HydrophobicContact CZ2-CB 4.19Å; W32-L375 HydrophobicContact CZ3-CB 3.74Å; Y269-L375 HydrophobicContact CD1-CD2 3.72Å; Y269-L375 HydrophobicContact CE1-CD2 3.82Å; I371-L375 HydrophobicContact CG2-CD1 3.96Å; I371-L375 HydrophobicContact CG2-CG 4.36Å; I371-L375 WeakPolarHBondContact O-CB 3.44Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.08Å; V372-L375 PolarHBondContact O-N 2.94Å; T373-L375 PolarHBondContact O-N 3.49Å; L375-Y378 PolarHBondContact O-N 3.02Å; L375-H379 WeakPolarHBondContact O-CB 3.41Å; L375-H379 PolarHBondContact O-N 3.38Å
376S98.7Very high98.4Very high0 Ų015.1 Ų15.10%08%0.075CC..Hα-helixtrans-62.8-44.3172.7-57.10000111.9V372 T373 A374 Y378 G380 V381V372-S376 WeakPolarHBondContact O-CB 3.49Å; V372-S376 PolarHBondContact O-N 3.38Å; V372-S376 PolarHBondContact O-OG 3.42Å; T373-S376 WeakPolarHBondContact O-CB 3.46Å; T373-S376 PolarHBondContact O-N 2.9Å; A374-S376 VanDerWaalsContact C-N 3.33Å; A374-S376 PolarHBondContact O-N 3.08Å; S376-Y378 VanDerWaalsContact C-N 3.35Å; S376-G380 WeakPolarHBondContact O-CA 3.34Å; S376-G380 PolarHBondContact O-N 3.36Å; S376-V381 WeakPolarHBondContact CA-O 3.48Å; S376-V381 WeakPolarHBondContact CB-O 3.43Å; S376-V381 PolarHBondContact OG-O 3.49Å
377C98.2Very high98.4Very high0 Ų015.6 Ų15.60%08%0.078CC..Hα-helixtrans-61.6-42.3172.1-720000111.4A270 T373 A374 R417 S437A270-C377 HydrophobicContact CB-CB 4.25Å; T373-C377 PolarHBondContact O-N 2.75Å; A374-C377 WeakPolarHBondContact O-CB 3.48Å; A374-C377 PolarHBondContact O-N 3.17Å; C377-R417 VanDerWaalsContact O-CZ 3.24Å; C377-R417 PolarHBondContact O-NE 3.35Å; C377-R417 PolarHBondContact O-NH2 2.8Å; C377-R417 PolarHBondContact SG-O 3.21Å; C377-S437 WeakPolarHBondContact O-CB 3.37Å
378Y98Very high98.4Very high87 Ų8716.3 Ų16.334%0.3418%0.082SC..Hα-helixtrans-66.9-55.2-178.4-173.9-108.3000112.5I268 Y269 A374 L375 S376 R417I268-Y378 WeakPolarHBondContact O-CE2 3.43Å; Y269-Y378 AromaticContact CD1-CD1 3.98Å; Y269-Y378 HydrophobicContact CD1-CD1 3.98Å; Y269-Y378 HydrophobicContact CD1-CD2 4.12Å; Y269-Y378 HydrophobicContact CD1-CE1 4.37Å; Y269-Y378 HydrophobicContact CD1-CE2 4.49Å; Y269-Y378 AromaticContact CD1-CG 3.84Å; Y269-Y378 HydrophobicContact CD1-CG 3.84Å; Y269-Y378 HydrophobicContact CE1-CD1 4.31Å; Y269-Y378 HydrophobicContact CE1-CE1 4.37Å; Y269-Y378 WeakPolarHBondContact O-CB 3.39Å; A374-Y378 WeakPolarHBondContact O-CB 3.45Å; A374-Y378 PolarHBondContact O-N 3.49Å; L375-Y378 PolarHBondContact O-N 3.02Å; S376-Y378 VanDerWaalsContact C-N 3.35Å; Y378-R417 PolarHBondContact O-NH2 3.19Å
379H97.7Very high98.3Very high99 Ų9923.9 Ų23.946%0.45811%0.114SC..Hα-helixtrans-84.6-12.8-174.4-69.5-62.4000114.6W32 L375 V381W32-H379 AromaticContact CE2-CD2 3.8Å; W32-H379 HydrophobicContact CZ2-CB 4.13Å; W32-H379 AromaticContact CZ2-CD2 3.89Å; W32-H379 AromaticContact NE1-CD2 3.51Å; W32-H379 AromaticContact NE1-NE2 3.96Å; L375-H379 WeakPolarHBondContact O-CB 3.41Å; L375-H379 PolarHBondContact O-N 3.38Å; H379-V381 VanDerWaalsContact C-N 3.34Å; H379-V381 HydrophobicContact CB-CG2 4.03Å
380G97.2Very high98.2Very high18 Ų1830.6 Ų30.619%0.18614%0.143CC..THydrogen-bonded Turntrans7030-179.300000113.7S376 F408S376-G380 WeakPolarHBondContact O-CA 3.34Å; S376-G380 PolarHBondContact O-N 3.36Å; G380-F408 VanDerWaalsContact C-CB 3.44Å; G380-F408 WeakPolarHBondContact O-CB 3.45Å; G380-F408 PolarHBondContact O-N 2.94Å
381V98.1Very high98.1Very high42 Ų4234 Ų3426%0.25516%0.164SC..EExtended strand (participates in β ladder)trans-136148.8175.9-61.70000110.3W32 L36 S376 H379 T406W32-V381 HydrophobicContact CH2-CG2 4.03Å; W32-V381 HydrophobicContact CZ2-CG2 3.51Å; L36-V381 HydrophobicContact CD1-CG2 4.09Å; L36-V381 HydrophobicContact CD2-CG2 4.1Å; S376-V381 WeakPolarHBondContact CA-O 3.48Å; S376-V381 WeakPolarHBondContact CB-O 3.43Å; S376-V381 PolarHBondContact OG-O 3.49Å; H379-V381 VanDerWaalsContact C-N 3.34Å; H379-V381 HydrophobicContact CB-CG2 4.03Å; V381-T406 CarbonylContact C-O 3.57Å
382V98.4Very high98Very high0 Ų037.3 Ų37.30%018%0.182CC..EExtended strand (participates in β ladder)trans-116.1132.4-180171.60000109.2Y314 L350 A405 T406 F408Y314-V382 HydrophobicContact CD1-CG2 4.05Å; Y314-V382 HydrophobicContact CD2-CB 4.45Å; Y314-V382 HydrophobicContact CD2-CG1 3.75Å; Y314-V382 HydrophobicContact CD2-CG2 3.79Å; Y314-V382 HydrophobicContact CE1-CG1 4.36Å; Y314-V382 HydrophobicContact CE1-CG2 4.31Å; Y314-V382 HydrophobicContact CE2-CB 4.37Å; Y314-V382 HydrophobicContact CE2-CG1 3.3Å; Y314-V382 HydrophobicContact CE2-CG2 4.12Å; Y314-V382 HydrophobicContact CG-CG2 3.8Å; L350-V382 HydrophobicContact CD2-CB 3.81Å; L350-V382 HydrophobicContact CD2-CG1 3.82Å; L350-V382 HydrophobicContact CD2-CG2 4.03Å; V382-A405 CarbonylContact O-C 3.54Å; V382-A405 VanDerWaalsContact O-CA 3.29Å; V382-A405 WeakPolarHBondContact O-CA 3.12Å; V382-T406 PolarHBondContact N-O 3.36Å; V382-T406 PolarHBondContact O-N 2.65Å; V382-F408 HydrophobicContact CG2-CB 4.44Å; V382-F408 HydrophobicContact CG2-CD2 3.88Å; V382-F408 HydrophobicContact CG2-CG 4.37Å
383P98.4Very high97.8Very high0 Ų038 Ų380%019%0.185CC..  trans-56153.5175.8-33.139.4000115.7W32 L35 L36 V372 S400W32-P383 HydrophobicContact CH2-CG 4.44Å; W32-P383 HydrophobicContact CZ3-CG 3.92Å; L35-P383 HydrophobicContact CD1-CB 4.3Å; L35-P383 HydrophobicContact CD2-CB 3.88Å; L35-P383 HydrophobicContact CD2-CG 3.56Å; L35-P383 HydrophobicContact CG-CB 3.79Å; L35-P383 HydrophobicContact CG-CG 3.96Å; L36-P383 HydrophobicContact CD2-CG 4.25Å; V372-P383 HydrophobicContact CG1-CG 3.64Å; P383-S400 WeakPolarHBondContact O-CB 3.31Å; P383-S400 PolarHBondContact O-OG 3.02Å
384P98.2Very high97.5Very high3 Ų341.6 Ų41.62%0.01921%0.209CC..  trans-63.6147.5172.325.4-32.2000112.6L35 C38 R386 H401L35-P384 WeakPolarHBondContact O-CD 3.27Å; L35-P384 WeakPolarHBondContact O-CG 3.23Å; C38-P384 HydrophobicContact CB-CG 3.82Å; P384-R386 PolarHBondContact O-N 2.99Å; P384-H401 CarbonylContact C-O 3.42Å; P384-H401 WeakPolarHBondContact CA-O 3.23Å; P384-H401 VanDerWaalsContact CB-O 3.25Å; P384-H401 WeakPolarHBondContact CB-O 3.3Å
385N97.9Very high97.2Very high0 Ų044 Ų440%022%0.221CC..  trans-89.876.4171.2-162.7-1.7000110.1F237 L388 S400 H401 S402F237-N385 WeakPolarHBondContact CD2-ND2 3.36Å; N385-L388 HydrophobicContact CB-CD2 4.43Å; N385-L388 WeakPolarHBondContact O-CB 3.36Å; N385-L388 PolarHBondContact O-N 2.99Å; N385-S400 PolarHBondContact N-OG 3.32Å; N385-S400 VanDerWaalsContact N-OG 3.13Å; N385-H401 PolarHBondContact N-O 2.74Å; N385-S402 WeakPolarHBondContact O-CA 3.05Å
386R98.1Very high96.7Very high36 Ų3648.4 Ų48.414%0.13625%0.245CC..THydrogen-bonded Turntrans-54140-170.9-176.6176.3172.7879111.9C38 Q231 P384 L388 S402C38-R386 PolarHBondContact O-NH1 3.04Å; Q231-R386 PolarHBondContact O-NE 3.33Å; Q231-R386 PolarHBondContact O-NH2 2.66Å; P384-R386 PolarHBondContact O-N 2.99Å; R386-L388 VanDerWaalsContact C-N 3.26Å; R386-L388 PolarHBondContact O-N 3.16Å; R386-S402 WeakPolarHBondContact CA-O 3.49Å
387N98.3Very high96.4Very high10 Ų1049.1 Ų49.15%0.05325%0.248CC..THydrogen-bonded Turntrans706.3178.3-56.9-37.4000116.4Q231 Q232 S234 R235 K389Q231-N387 PolarHBondContact O-ND2 3.47Å; Q232-N387 WeakPolarHBondContact CA-ND2 3.31Å; Q232-N387 VanDerWaalsContact CD-OD1 3.24Å; Q232-N387 PolarHBondContact NE2-OD1 3.14Å; Q232-N387 PolarHBondContact OE1-OD1 3.45Å; S234-N387 PolarHBondContact O-ND2 2.81Å; R235-N387 HydrophobicContact CB-CB 3.64Å; N387-K389 PolarHBondContact O-N 3.42Å; N387-K389 VanDerWaalsContact O-N 3.13Å
388L98Very high96.3Very high16 Ų1651.7 Ų51.78%0.08426%0.262CS..  trans-76.894.4170.6-175.758.1000110.5F237 D238 N385 R386 V391 F399 S402F237-L388 HydrophobicContact CB-CD1 4.09Å; D238-L388 HydrophobicContact CB-CD1 4.18Å; N385-L388 HydrophobicContact CB-CD2 4.43Å; N385-L388 WeakPolarHBondContact O-CB 3.36Å; N385-L388 PolarHBondContact O-N 2.99Å; R386-L388 VanDerWaalsContact C-N 3.26Å; R386-L388 PolarHBondContact O-N 3.16Å; L388-V391 HydrophobicContact CD1-CG2 4Å; L388-V391 HydrophobicContact CD2-CG2 4.16Å; L388-V391 HydrophobicContact CG-CG2 4.23Å; L388-F399 HydrophobicContact CD2-CB 3.77Å; L388-F399 HydrophobicContact CD2-CD1 4.34Å; L388-F399 HydrophobicContact CD2-CD2 3.9Å; L388-F399 HydrophobicContact CD2-CG 3.75Å; L388-S402 WeakPolarHBondContact O-CB 3.48Å
389K96.8Very high96.2Very high164 Ų16448.8 Ų48.871%0.71325%0.251SS*.SBendtrans-98.2-40.8178.6-64.7-173.2-179.6-175.20111.7D238 N387D238-K389 PolarHBondContact OD2-N 3Å; N387-K389 PolarHBondContact O-N 3.42Å; N387-K389 VanDerWaalsContact O-N 3.13Å
390K97.3Very high96.1Very high141 Ų14144.3 Ų44.361%0.61323%0.231SC*.SBendtrans-136.7114.7177.2-177.2-179178.5-174.40109.4D238 S239D238-K390 CarbonylContact C-O 3.53Å; D238-K390 WeakPolarHBondContact CA-O 3.5Å; D238-K390 PolarHBondContact OD2-N 2.86Å; S239-K390 PolarHBondContact N-O 2.88Å
391V97Very high96Very high73 Ų7348.1 Ų48.144%0.44224%0.244SC..BIsolated β-bridgetrans-63.2133177.1177.90000110.4L388 V393 F399L388-V391 HydrophobicContact CD1-CG2 4Å; L388-V391 HydrophobicContact CD2-CG2 4.16Å; L388-V391 HydrophobicContact CG-CG2 4.23Å; V391-V393 HydrophobicContact CG1-CG2 3.59Å; V391-F399 HydrophobicContact CG1-CD2 4.28Å; V391-F399 HydrophobicContact CG1-CE2 3.65Å; V391-F399 HydrophobicContact CG2-CD2 3.9Å; V391-F399 HydrophobicContact CG2-CE2 4.08Å
392D96.7Very high95.9Very high74 Ų7448 Ų4840%0.39625%0.245SC..  trans-141.775.9175.5173.549.1000110.5F237 S239 R241F237-D392 PolarHBondContact O-N 3.47Å; S239-D392 VanDerWaalsContact CA-CB 3.4Å; R241-D392 IonicContact CZ-OD2 2.77Å; R241-D392 PolarHBondContact NH1-O 2.89Å; R241-D392 VanDerWaalsContact NH1-O 3.1Å; R241-D392 IonicContact NH1-OD2 2.71Å; R241-D392 PolarHBondContact NH1-OD2 2.89Å; R241-D392 PolarHBondContact NH2-O 3.28Å; R241-D392 IonicContact NH2-OD2 3.26Å
393V95.2Very high95.8Very high24 Ų2455.6 Ų55.615%0.14528%0.28CS..  trans-138.7153.9177-69.10000109.3F237 T330 V391 M395 M397 F399F237-V393 HydrophobicContact CB-CG1 3.98Å; F237-V393 HydrophobicContact CD1-CG1 3.88Å; F237-V393 HydrophobicContact CG-CG1 4.4Å; T330-V393 HydrophobicContact CG2-CB 4.11Å; T330-V393 HydrophobicContact CG2-CG1 3.89Å; T330-V393 HydrophobicContact CG2-CG2 4.27Å; V391-V393 HydrophobicContact CG1-CG2 3.59Å; V393-M395 VanDerWaalsContact C-N 3.31Å; V393-M395 WeakPolarHBondContact CG2-O 3.41Å; V393-M395 PolarHBondContact O-N 3.34Å; V393-M397 HydrophobicContact CG2-CG 4.37Å; V393-F399 HydrophobicContact CG2-CE2 3.99Å; V393-F399 HydrophobicContact CG2-CZ 3.99Å
394P93.1Very high95.7Very high77 Ų7761.6 Ų61.650%0.531%0.306SS..SBendtrans-66.8-30.2-173.824.3-34.6000113.9T331T331-P394 WeakPolarHBondContact OG1-CG 3.48Å
395M90.6Very high95.7Very high50 Ų5063.1 Ų63.125%0.24632%0.319CS..SBendtrans-105.1146.1-175.3-51.2-51.2-88.400111.3Y334 V393 M397Y334-M395 HydrophobicContact CD1-CE 3.1Å; Y334-M395 HydrophobicContact CD1-CG 4.47Å; Y334-M395 HydrophobicContact CD2-CB 3.84Å; Y334-M395 HydrophobicContact CD2-CE 4.36Å; Y334-M395 HydrophobicContact CE1-CE 3.44Å; Y334-M395 VanDerWaalsContact CE1-CE 3.44Å; Y334-M395 HydrophobicContact CG-CB 3.82Å; Y334-M395 HydrophobicContact CG-CE 3.62Å; Y334-M395 HydrophobicContact CG-CG 4.03Å; V393-M395 VanDerWaalsContact C-N 3.31Å; V393-M395 WeakPolarHBondContact CG2-O 3.41Å; V393-M395 PolarHBondContact O-N 3.34Å; M395-M397 HydrophobicContact CB-CG 4.48Å; M395-M397 HydrophobicContact CB-SD 3.99Å; M395-M397 PolarHBondContact O-N 3.45Å; M395-M397 VanDerWaalsContact O-N 3.13Å
396N89.8Confident95.6Very high103 Ų10364.1 Ų64.155%0.55133%0.325SS*.  trans-72.6105.2172.3-17230.6000109.4D345D345-N396 PolarHBondContact OD1-ND2 3.45Å
397M92.4Very high95.6Very high15 Ų1567 Ų677%0.07435%0.348CS..  trans-107.8143.2-176.7-60.5-54.6-64.300111.1T330 I333 Y334 V351 V393 M395 F399T330-M397 HydrophobicContact CG2-CG 3.88Å; I333-M397 HydrophobicContact CB-CE 3.9Å; I333-M397 HydrophobicContact CG2-CE 3.54Å; Y334-M397 HydrophobicContact CD2-SD 4.09Å; Y334-M397 HydrophobicContact CG-SD 4.48Å; V351-M397 HydrophobicContact CG2-CE 3.63Å; V393-M397 HydrophobicContact CG2-CG 4.37Å; M395-M397 HydrophobicContact CB-CG 4.48Å; M395-M397 HydrophobicContact CB-SD 3.99Å; M395-M397 PolarHBondContact O-N 3.45Å; M395-M397 VanDerWaalsContact O-N 3.13Å; M397-F399 HydrophobicContact CB-CD1 4.48Å; M397-F399 HydrophobicContact CB-CD2 4.03Å; M397-F399 HydrophobicContact CB-CE1 4.03Å; M397-F399 HydrophobicContact CB-CE2 3.54Å; M397-F399 HydrophobicContact CB-CG 4.48Å; M397-F399 HydrophobicContact CB-CZ 3.55Å; M397-F399 HydrophobicContact CG-CE2 4.26Å; M397-F399 HydrophobicContact CG-CZ 3.93Å; M397-F399 PolarHBondContact O-N 3.26Å
398N94.7Very high95.5Very high53 Ų5367 Ų6728%0.28335%0.348SS..  trans-82.892.4170.6-177.817.5000109.7Q348 L350 V351Q348-N398 HydrophobicContact CB-CB 4.02Å; Q348-N398 PolarHBondContact O-ND2 3.3Å; L350-N398 CarbonylContact C-O 3.43Å; L350-N398 VanDerWaalsContact CA-O 3.31Å; L350-N398 WeakPolarHBondContact CA-O 3.27Å; V351-N398 PolarHBondContact N-O 2.87Å
399F96.6Very high95.2Very high27 Ų2768.1 Ų68.112%0.11836%0.356CS..BIsolated β-bridgetrans-86.5149.8179.1-66.7-67.8000113.1F237 T330 V351 L388 V391 V393 M397F237-F399 HydrophobicContact CB-CE1 4.2Å; F237-F399 HydrophobicContact CB-CE2 4.41Å; F237-F399 HydrophobicContact CB-CZ 3.85Å; F237-F399 AromaticContact CD1-CE1 3.94Å; F237-F399 HydrophobicContact CD1-CE1 3.94Å; F237-F399 AromaticContact CD1-CZ 3.93Å; F237-F399 HydrophobicContact CD1-CZ 3.93Å; F237-F399 AromaticContact CD2-CD1 3.96Å; F237-F399 HydrophobicContact CD2-CD1 3.96Å; F237-F399 AromaticContact CD2-CE1 3.4Å; F237-F399 HydrophobicContact CD2-CE1 3.4Å; F237-F399 VanDerWaalsContact CD2-CE1 3.4Å; F237-F399 AromaticContact CD2-CZ 3.96Å; F237-F399 HydrophobicContact CD2-CZ 3.96Å; F237-F399 HydrophobicContact CE1-CE1 4.08Å; F237-F399 HydrophobicContact CE1-CZ 4.42Å; F237-F399 HydrophobicContact CE2-CD1 4.08Å; F237-F399 AromaticContact CE2-CE1 3.54Å; F237-F399 HydrophobicContact CE2-CE1 3.54Å; F237-F399 HydrophobicContact CE2-CZ 4.43Å; F237-F399 HydrophobicContact CG-CD1 4.48Å; F237-F399 AromaticContact CG-CE1 3.57Å; F237-F399 HydrophobicContact CG-CE1 3.57Å; F237-F399 AromaticContact CG-CZ 3.64Å; F237-F399 HydrophobicContact CG-CZ 3.64Å; F237-F399 AromaticContact CZ-CE1 3.84Å; F237-F399 HydrophobicContact CZ-CE1 3.84Å; T330-F399 HydrophobicContact CG2-CE1 4.47Å; T330-F399 HydrophobicContact CG2-CZ 4.09Å; V351-F399 HydrophobicContact CB-CD1 3.9Å; V351-F399 HydrophobicContact CB-CE1 4.1Å; V351-F399 HydrophobicContact CG1-CD1 4.12Å; V351-F399 HydrophobicContact CG1-CE1 3.96Å; V351-F399 CarbonylContact O-C 3.48Å; V351-F399 VanDerWaalsContact O-CA 3.26Å; V351-F399 WeakPolarHBondContact O-CA 3.28Å; L388-F399 HydrophobicContact CD2-CB 3.77Å; L388-F399 HydrophobicContact CD2-CD1 4.34Å; L388-F399 HydrophobicContact CD2-CD2 3.9Å; L388-F399 HydrophobicContact CD2-CG 3.75Å; V391-F399 HydrophobicContact CG1-CD2 4.28Å; V391-F399 HydrophobicContact CG1-CE2 3.65Å; V391-F399 HydrophobicContact CG2-CD2 3.9Å; V391-F399 HydrophobicContact CG2-CE2 4.08Å; V393-F399 HydrophobicContact CG2-CE2 3.99Å; V393-F399 HydrophobicContact CG2-CZ 3.99Å; M397-F399 HydrophobicContact CB-CD1 4.48Å; M397-F399 HydrophobicContact CB-CD2 4.03Å; M397-F399 HydrophobicContact CB-CE1 4.03Å; M397-F399 HydrophobicContact CB-CE2 3.54Å; M397-F399 HydrophobicContact CB-CG 4.48Å; M397-F399 HydrophobicContact CB-CZ 3.55Å; M397-F399 HydrophobicContact CG-CE2 4.26Å; M397-F399 HydrophobicContact CG-CZ 3.93Å; M397-F399 PolarHBondContact O-N 3.26Å
400S95.7Very high94.4Very high5 Ų567 Ų674%0.03536%0.363CS..PPolyproline II helixtrans-63.2157.9168.476.60000112V351 S352 P383 N385V351-S400 PolarHBondContact O-N 3.18Å; S352-S400 WeakPolarHBondContact CB-OG 3.27Å; P383-S400 WeakPolarHBondContact O-CB 3.31Å; P383-S400 PolarHBondContact O-OG 3.02Å; N385-S400 PolarHBondContact N-OG 3.32Å; N385-S400 VanDerWaalsContact N-OG 3.13Å
401H94.2Very high93.4Very high98 Ų9861.7 Ų61.745%0.45434%0.344SS..PPolyproline II helixtrans-58.1146177.5-75.8-69.8000110.5P384 N385 E403 K404 T406P384-H401 CarbonylContact C-O 3.42Å; P384-H401 WeakPolarHBondContact CA-O 3.23Å; P384-H401 VanDerWaalsContact CB-O 3.25Å; P384-H401 WeakPolarHBondContact CB-O 3.3Å; N385-H401 PolarHBondContact N-O 2.74Å; H401-E403 VanDerWaalsContact C-N 3.34Å; H401-E403 PolarHBondContact O-N 2.88Å; H401-K404 HydrophobicContact CB-CG 3.76Å; H401-K404 WeakPolarHBondContact CB-O 3.03Å; H401-T406 PolarHBondContact CD2-OG1 3.13Å; H401-T406 VanDerWaalsContact CD2-OG1 3.3Å; H401-T406 PolarHBondContact N-OG1 2.89Å
402S96.1Very high92.6Very high40 Ų4063.3 Ų63.328%0.2836%0.359SS..SBendtrans-76.5-19.1-176.252.80000114.4C38 N385 R386 L388C38-S402 PolarHBondContact SG-O 3.15Å; N385-S402 WeakPolarHBondContact O-CA 3.05Å; R386-S402 WeakPolarHBondContact CA-O 3.49Å; L388-S402 WeakPolarHBondContact O-CB 3.48Å
403E96.8Very high91.9Very high158 Ų15865.3 Ų65.374%0.73836%0.364SS*.SBendtrans-125.2-16.8-170.2-67.7177.8-178.300114.6C38 H401C38-E403 WeakPolarHBondContact CB-O 3.33Å; H401-E403 VanDerWaalsContact C-N 3.34Å; H401-E403 PolarHBondContact O-N 2.88Å
404K96.6Very high91.4Very high127 Ų12765.5 Ų65.555%0.55237%0.365SS*.SBendtrans-136.6153.1-176.863.2-179.7-178.5179.60111.3H401H401-K404 HydrophobicContact CB-CG 3.76Å; H401-K404 WeakPolarHBondContact CB-O 3.03Å
405A97.3Very high91.3Very high34 Ų3466.5 Ų66.528%0.28137%0.374SS..  trans-59.7145.1170.300000111.2L36 V382L36-A405 HydrophobicContact CD2-CB 3.85Å; V382-A405 CarbonylContact O-C 3.54Å; V382-A405 VanDerWaalsContact O-CA 3.29Å; V382-A405 WeakPolarHBondContact O-CA 3.12Å
406T97.2Very high91.5Very high21 Ų2165.8 Ų65.813%0.12937%0.369CS..EExtended strand (participates in β ladder)trans-109.2138.6175.2-56.50000108.8L350 V381 V382 H401 F408L350-T406 HydrophobicContact CD2-CG2 3.79Å; V381-T406 CarbonylContact C-O 3.57Å; V382-T406 PolarHBondContact N-O 3.36Å; V382-T406 PolarHBondContact O-N 2.65Å; H401-T406 PolarHBondContact CD2-OG1 3.13Å; H401-T406 VanDerWaalsContact CD2-OG1 3.3Å; H401-T406 PolarHBondContact N-OG1 2.89Å; T406-F408 PolarHBondContact O-N 3.31Å
407P96.8Very high91.8Very high97 Ų9763.1 Ų63.163%0.6335%0.351SS*.EExtended strand (participates in β ladder)trans-53.7140.4169.7-25.434.9000111.4
408F96.3Very high92.1Very high11 Ų1162.6 Ų62.65%0.04835%0.349CS..PPolyproline II helixtrans-62.8126.6175-164.1-67.5000108.8Y314 G380 V382 T406 T410 R417 V418 A419Y314-F408 VanDerWaalsContact CB-CZ 3.5Å; Y314-F408 HydrophobicContact CD1-CE2 4Å; Y314-F408 HydrophobicContact CG-CE2 4.17Å; G380-F408 VanDerWaalsContact C-CB 3.44Å; G380-F408 WeakPolarHBondContact O-CB 3.45Å; G380-F408 PolarHBondContact O-N 2.94Å; V382-F408 HydrophobicContact CG2-CB 4.44Å; V382-F408 HydrophobicContact CG2-CD2 3.88Å; V382-F408 HydrophobicContact CG2-CG 4.37Å; T406-F408 PolarHBondContact O-N 3.31Å; F408-T410 PolarHBondContact O-N 3.4Å; F408-R417 HydrophobicContact CB-CG 4.49Å; F408-R417 HydrophobicContact CD1-CB 3.69Å; F408-R417 HydrophobicContact CD1-CG 3.65Å; F408-R417 HydrophobicContact CD2-CB 4.34Å; F408-R417 HydrophobicContact CE1-CB 3.56Å; F408-R417 HydrophobicContact CE1-CG 4.02Å; F408-R417 HydrophobicContact CE2-CB 4.19Å; F408-R417 HydrophobicContact CG-CB 4.11Å; F408-R417 HydrophobicContact CG-CG 4.04Å; F408-R417 HydrophobicContact CZ-CB 3.82Å; F408-V418 WeakPolarHBondContact CZ-O 3.25Å; F408-A419 HydrophobicContact CE2-CB 4.1Å; F408-A419 HydrophobicContact CZ-CB 3.98Å
409P92.3Very high92.3Very high39 Ų3960.1 Ų60.125%0.25334%0.335SS..PPolyproline II helixtrans-59.4131.7-176.5-25.835.3000112.6G313 L350G313-P409 WeakPolarHBondContact O-CG 3.03Å; L350-P409 HydrophobicContact CB-CG 3.69Å; L350-P409 HydrophobicContact CD2-CG 4.39Å
410T80Confident92.4Very high139 Ų13959.1 Ų59.185%0.85333%0.331SS*.PPolyproline II helixtrans-76.9128170.351.50000109.5F408F408-T410 PolarHBondContact O-N 3.4Å
411S76.4Confident92.5Very high31 Ų3158.9 Ų58.922%0.21733%0.329CS..PPolyproline II helixtrans-90.9140.2171.9-179.20000110E310 F413 T414E310-S411 PolarHBondContact O-OG 3.4Å; S411-F413 PolarHBondContact O-N 2.85Å; S411-F413 WeakPolarHBondContact OG-CB 3.41Å; S411-F413 WeakPolarHBondContact OG-CD2 3.47Å; S411-F413 PolarHBondContact OG-N 3.06Å; S411-F413 VanDerWaalsContact OG-N 3.08Å; S411-T414 VanDerWaalsContact O-O 3.12Å
412S79.5Confident92.7Very high107 Ų10754.2 Ų54.275%0.74831%0.308SS*.SBendtrans-74.5-10.916851.90000112.7
413F81.9Confident92.8Very high116 Ų11652.3 Ų52.351%0.50929%0.294SS..SBendtrans-93.9-21.2-173.7-57.4-77.8000113.1E310 E311 S411E310-F413 HydrophobicContact CB-CD2 3.87Å; E310-F413 HydrophobicContact CB-CE2 3.85Å; E310-F413 HydrophobicContact CB-CG 4.28Å; E310-F413 HydrophobicContact CB-CZ 4.22Å; E310-F413 HydrophobicContact CG-CD1 4.09Å; E310-F413 HydrophobicContact CG-CD2 4.15Å; E310-F413 HydrophobicContact CG-CE1 4.27Å; E310-F413 HydrophobicContact CG-CE2 4.34Å; E310-F413 HydrophobicContact CG-CG 4.03Å; E310-F413 HydrophobicContact CG-CZ 4.39Å; E310-F413 VanDerWaalsContact O-CD2 3.27Å; E310-F413 WeakPolarHBondContact O-CD2 3.37Å; E311-F413 HydrophobicContact CG-CB 3.93Å; S411-F413 PolarHBondContact O-N 2.85Å; S411-F413 WeakPolarHBondContact OG-CB 3.41Å; S411-F413 WeakPolarHBondContact OG-CD2 3.47Å; S411-F413 PolarHBondContact OG-N 3.06Å; S411-F413 VanDerWaalsContact OG-N 3.08Å
414T86Confident92.9Very high28 Ų2846 Ų4617%0.17226%0.264CS..  trans-152.2145.5-177.7179.90000111.1E311 S411 R416 V418E311-T414 HydrophobicContact CB-CG2 3.92Å; E311-T414 HydrophobicContact CG-CG2 4.22Å; S411-T414 VanDerWaalsContact O-O 3.12Å; T414-R416 VanDerWaalsContact C-N 3.25Å; T414-R416 WeakPolarHBondContact CG2-O 3.37Å; T414-R416 PolarHBondContact OG1-N 3.21Å; T414-V418 HydrophobicContact CG2-CG2 4.08Å
415S89.8Confident92.7Very high98 Ų9840.5 Ų40.569%0.68524%0.244SC*.SBendtrans-74-18.7172.254.40000112.6
416R95.1Very high92.2Very high35 Ų3541.6 Ų41.613%0.13224%0.242CC..SBendtrans-85.2146.6-177.1-58.6178.869.4172.33.6111E271 T414 V418 A436 S437 D439E271-R416 IonicContact OE2-CZ 3.97Å; E271-R416 VanDerWaalsContact OE2-CZ 3.26Å; E271-R416 IonicContact OE2-NH1 3.94Å; E271-R416 PolarHBondContact OE2-NH1 2.9Å; E271-R416 IonicContact OE2-NH2 2.65Å; E271-R416 PolarHBondContact OE2-NH2 2.98Å; T414-R416 VanDerWaalsContact C-N 3.25Å; T414-R416 WeakPolarHBondContact CG2-O 3.37Å; T414-R416 PolarHBondContact OG1-N 3.21Å; R416-V418 HydrophobicContact CB-CG2 4.3Å; R416-V418 PolarHBondContact O-N 3.26Å; R416-A436 HydrophobicContact CB-CB 4.43Å; R416-S437 PolarHBondContact NE-O 3.44Å; R416-S437 PolarHBondContact NH2-O 3.15Å; R416-D439 WeakPolarHBondContact CD-OD1 3.25Å; R416-D439 WeakPolarHBondContact CG-OD1 3.37Å; R416-D439 IonicContact NE-OD1 3.25Å
417R96.9Very high91.8Very high47 Ų4750.1 Ų50.118%0.17727%0.272CS..  trans-83.898.6170.6-69.7179.2-66.5-77.90.6109.2C377 Y378 F408 A436 S437 Q440C377-R417 VanDerWaalsContact O-CZ 3.24Å; C377-R417 PolarHBondContact O-NE 3.35Å; C377-R417 PolarHBondContact O-NH2 2.8Å; C377-R417 PolarHBondContact SG-O 3.21Å; Y378-R417 PolarHBondContact O-NH2 3.19Å; F408-R417 HydrophobicContact CB-CG 4.49Å; F408-R417 HydrophobicContact CD1-CB 3.69Å; F408-R417 HydrophobicContact CD1-CG 3.65Å; F408-R417 HydrophobicContact CD2-CB 4.34Å; F408-R417 HydrophobicContact CE1-CB 3.56Å; F408-R417 HydrophobicContact CE1-CG 4.02Å; F408-R417 HydrophobicContact CE2-CB 4.19Å; F408-R417 HydrophobicContact CG-CB 4.11Å; F408-R417 HydrophobicContact CG-CG 4.04Å; F408-R417 HydrophobicContact CZ-CB 3.82Å; R417-A436 VanDerWaalsContact O-CA 3.25Å; R417-A436 WeakPolarHBondContact O-CA 3.41Å; R417-S437 PolarHBondContact N-OG 3.38Å; R417-S437 PolarHBondContact O-N 3.13Å; R417-Q440 VanDerWaalsContact NH1-NE2 3.18Å
418V97.7Very high91.6Very high4 Ų445.7 Ų45.72%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-96.5128.9-177.9-172.20000110.8L273 V307 E311 V312 G313 Y314 F408 T414 R416 L435 A436L273-V418 HydrophobicContact CD1-CG1 4.36Å; V307-V418 HydrophobicContact CG1-CG1 4.04Å; E311-V418 WeakPolarHBondContact O-CB 3.5Å; V312-V418 HydrophobicContact CG2-CG1 4.39Å; G313-V418 PolarHBondContact N-O 3.18Å; Y314-V418 PolarHBondContact N-O 3.49Å; F408-V418 WeakPolarHBondContact CZ-O 3.25Å; T414-V418 HydrophobicContact CG2-CG2 4.08Å; R416-V418 HydrophobicContact CB-CG2 4.3Å; R416-V418 PolarHBondContact O-N 3.26Å; V418-L435 CarbonylContact C-O 3.59Å; V418-L435 WeakPolarHBondContact CA-O 3.34Å; V418-A436 HydrophobicContact CG2-CB 4.06Å
419A98.5Very high91.6Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-130.4150.4-178.800000112.3Y314 T373 F408 C434 L435Y314-A419 HydrophobicContact CD1-CB 3.8Å; Y314-A419 HydrophobicContact CG-CB 4.37Å; Y314-A419 CarbonylContact O-C 3.48Å; Y314-A419 WeakPolarHBondContact O-CA 3.46Å; T373-A419 HydrophobicContact CG2-CB 3.53Å; F408-A419 HydrophobicContact CE2-CB 4.1Å; F408-A419 HydrophobicContact CZ-CB 3.98Å; A419-C434 WeakPolarHBondContact O-CA 3.41Å; A419-L435 PolarHBondContact N-O 3.1Å; A419-L435 PolarHBondContact O-N 2.9Å
420M98.6Very high91.9Very high6 Ų644.4 Ų44.43%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-108.8144166.4-67.3-167.3-66.600111.2M298 L302 V312 Y314 V315 N316 T432 L433M298-M420 HydrophobicContact CB-SD 4.42Å; M298-M420 HydrophobicContact CG-CE 4.5Å; M298-M420 HydrophobicContact CG-SD 4.41Å; M298-M420 HydrophobicContact SD-CE 4.2Å; L302-M420 HydrophobicContact CD1-SD 4.21Å; L302-M420 HydrophobicContact CD2-CG 4.47Å; L302-M420 HydrophobicContact CD2-SD 3.82Å; L302-M420 HydrophobicContact CG-SD 3.92Å; V312-M420 HydrophobicContact CG1-CE 4.14Å; V312-M420 HydrophobicContact CG1-CG 4.09Å; V312-M420 HydrophobicContact CG2-CE 4.39Å; V312-M420 HydrophobicContact CG2-CG 4.27Å; V312-M420 HydrophobicContact CG2-SD 4.48Å; Y314-M420 PolarHBondContact O-N 3.15Å; V315-M420 CarbonylContact C-O 3.58Å; V315-M420 WeakPolarHBondContact CA-O 3.4Å; V315-M420 HydrophobicContact CG1-CB 4.45Å; V315-M420 HydrophobicContact CG2-CB 4.33Å; V315-M420 HydrophobicContact CG2-CE 3.9Å; N316-M420 PolarHBondContact N-O 2.79Å; M420-T432 HydrophobicContact CB-CG2 4.07Å; M420-T432 HydrophobicContact CG-CG2 4.24Å; M420-T432 HydrophobicContact SD-CG2 3.96Å; M420-L433 CarbonylContact C-O 3.54Å; M420-L433 VanDerWaalsContact CA-O 3.26Å; M420-L433 WeakPolarHBondContact CA-O 3.42Å
421K98.8Very high92.8Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-116.3117.8169.7-166.8-53.4-169.8-156.10107.9L181 N316 G366 E369 T373 S423 T432 L433 L435L181-K421 HydrophobicContact CD1-CB 4.39Å; L181-K421 HydrophobicContact CD1-CD 3.68Å; L181-K421 HydrophobicContact CD1-CG 4.1Å; L181-K421 HydrophobicContact CD2-CD 4Å; L181-K421 WeakPolarHBondContact CD2-O 3.26Å; L181-K421 HydrophobicContact CG-CD 4.49Å; N316-K421 HydrophobicContact CB-CG 4.45Å; G366-K421 VanDerWaalsContact O-CE 3.25Å; G366-K421 WeakPolarHBondContact O-CE 3.41Å; E369-K421 HydrophobicContact CB-CD 4.44Å; E369-K421 HydrophobicContact CB-CG 4.49Å; E369-K421 IonicContact OE2-NZ 2.78Å; E369-K421 PolarHBondContact OE2-NZ 2.97Å; T373-K421 HydrophobicContact CG2-CB 4.45Å; K421-S423 PolarHBondContact NZ-OG 3.07Å; K421-T432 CarbonylContact O-C 3.59Å; K421-T432 VanDerWaalsContact O-CA 3.26Å; K421-T432 WeakPolarHBondContact O-CA 3.34Å; K421-L433 PolarHBondContact N-O 2.8Å; K421-L433 PolarHBondContact O-N 2.92Å; K421-L435 HydrophobicContact CB-CD1 4.27Å
422N98.8Very high93.8Very high0 Ų036.3 Ų36.30%019%0.187CC..EExtended strand (participates in β ladder)trans-96.8139.2173.7-71-19.2000112.8M298 N316 H318 E329 F424 T432M298-N422 WeakPolarHBondContact CG-OD1 3.31Å; M298-N422 PolarHBondContact SD-ND2 3.1Å; N316-N422 PolarHBondContact O-N 2.64Å; H318-N422 HydrophobicContact CB-CB 4.49Å; E329-N422 VanDerWaalsContact OE1-CB 3.31Å; E329-N422 WeakPolarHBondContact OE1-CB 2.94Å; E329-N422 PolarHBondContact OE1-ND2 2.91Å; N422-F424 HydrophobicContact CB-CE1 4.25Å; N422-F424 HydrophobicContact CB-CE2 4.01Å; N422-F424 HydrophobicContact CB-CZ 3.63Å; N422-T432 VanDerWaalsContact OD1-CG2 3.3Å; N422-T432 WeakPolarHBondContact OD1-CG2 3.32Å; N422-T432 PolarHBondContact OD1-OG1 2.82Å
423S98.4Very high94.8Very high0 Ų031.2 Ų31.20%015%0.152CC..EExtended strand (participates in β ladder)trans-134.1136.4162.7-91.20000109.3T178 G366 K421 A431T178-S423 WeakPolarHBondContact CG2-O 3.14Å; G366-S423 WeakPolarHBondContact CA-OG 3.29Å; K421-S423 PolarHBondContact NZ-OG 3.07Å; S423-A431 PolarHBondContact N-O 3.12Å; S423-A431 PolarHBondContact O-N 3.01Å; S423-A431 VanDerWaalsContact O-O 3.14Å
424F97.4Very high95.6Very high26 Ų2625.7 Ų25.711%0.11413%0.127CC..EExtended strand (participates in β ladder)trans-128.3132.8176-50.2-48.4000109.3C177 A294 H318 E329 N422 N430C177-F424 WeakPolarHBondContact CB-O 3.15Å; A294-F424 HydrophobicContact CB-CD1 4.38Å; A294-F424 HydrophobicContact CB-CE1 3.68Å; A294-F424 HydrophobicContact CB-CE2 3.97Å; A294-F424 HydrophobicContact CB-CZ 3.43Å; A294-F424 VanDerWaalsContact CB-CZ 3.43Å; H318-F424 HydrophobicContact CB-CD2 3.59Å; H318-F424 HydrophobicContact CB-CE2 3.99Å; H318-F424 HydrophobicContact CB-CG 4.26Å; H318-F424 AromaticContact CD2-CD2 3.98Å; H318-F424 PolarHBondContact CE1-O 3.45Å; H318-F424 AromaticContact CG-CD2 3.97Å; H318-F424 PolarHBondContact ND1-N 2.78Å; H318-F424 PolarHBondContact NE2-O 3.32Å; E329-F424 HydrophobicContact CB-CE2 4.05Å; E329-F424 HydrophobicContact CG-CE2 3.79Å; E329-F424 WeakPolarHBondContact OE1-CE2 3.32Å; N422-F424 HydrophobicContact CB-CE1 4.25Å; N422-F424 HydrophobicContact CB-CE2 4.01Å; N422-F424 HydrophobicContact CB-CZ 3.63Å; F424-N430 HydrophobicContact CD1-CB 3.62Å; F424-N430 WeakPolarHBondContact CD1-OD1 3.49Å; F424-N430 HydrophobicContact CE1-CB 4.03Å
425G92.6Very high96.2Very high11 Ų1124.4 Ų24.411%0.11312%0.119CC..  trans-110.7156.8-173.300000111.7G428 A429G425-G428 PolarHBondContact O-N 3.01Å; G425-G428 VanDerWaalsContact O-N 3.13Å; G425-A429 PolarHBondContact N-O 2.94Å
426F87.8Confident96.6Very high58 Ų5819.7 Ų19.725%0.2549%0.087SC..G310 helixtrans-55.1151.9162.4-7622.5000109A176 F216 I219 T285 G428A176-F426 HydrophobicContact CB-CB 4.19Å; F216-F426 AromaticContact CE1-CE2 3.87Å; F216-F426 HydrophobicContact CE1-CE2 3.87Å; F216-F426 HydrophobicContact CE1-CZ 4.08Å; I219-F426 HydrophobicContact CD1-CE2 3.9Å; I219-F426 HydrophobicContact CD1-CZ 4.23Å; T285-F426 HydrophobicContact CG2-CD2 3.88Å; T285-F426 HydrophobicContact CG2-CE2 3.85Å; T285-F426 HydrophobicContact CG2-CG 4.45Å; T285-F426 HydrophobicContact CG2-CZ 4.41Å; F426-G428 PolarHBondContact O-N 2.76Å
427W88.2Confident96.7Very high200 Ų20018.2 Ų18.276%0.7588%0.081SC*.G310 helixtrans7011.8-168.2-52.190.9000114.7L284 A429L284-W427 HydrophobicContact CD1-CD2 3.24Å; L284-W427 HydrophobicContact CD1-CE3 3.3Å; L284-W427 HydrophobicContact CD1-CG 4.09Å; L284-W427 HydrophobicContact CD1-CH2 3.23Å; L284-W427 HydrophobicContact CD1-CZ2 3.15Å; L284-W427 HydrophobicContact CD1-CZ3 3.3Å; L284-W427 WeakPolarHBondContact O-CA 3.39Å; L284-W427 PolarHBondContact O-N 3.29Å; W427-A429 VanDerWaalsContact C-N 3.31Å; W427-A429 PolarHBondContact O-N 3.39Å
428G92.3Very high96.6Very high3 Ų318.3 Ų18.33%0.0319%0.085CC..G310 helixtrans73.919.4173.100000114.2G279 D280 G425 F426 N430G279-G428 CarbonylContact C-O 3.55Å; G279-G428 VanDerWaalsContact CA-O 3.23Å; G279-G428 WeakPolarHBondContact CA-O 3.26Å; D280-G428 PolarHBondContact N-O 2.97Å; D280-G428 VanDerWaalsContact OD2-CA 3.28Å; D280-G428 WeakPolarHBondContact OD2-CA 3.33Å; G425-G428 PolarHBondContact O-N 3.01Å; G425-G428 VanDerWaalsContact O-N 3.13Å; F426-G428 PolarHBondContact O-N 2.76Å; G428-N430 PolarHBondContact O-N 2.87Å; G428-N430 PolarHBondContact O-ND2 2.83Å; G428-N430 VanDerWaalsContact O-ND2 3.16Å
429A96.5Very high95.9Very high20 Ų2022.7 Ų22.717%0.16511%0.108CC..EExtended strand (participates in β ladder)trans-74.5118.117400000109.3T178 G425 W427T178-A429 WeakPolarHBondContact CG2-O 3.15Å; T178-A429 WeakPolarHBondContact OG1-CB 3.33Å; T178-A429 PolarHBondContact OG1-O 3.45Å; G425-A429 PolarHBondContact N-O 2.94Å; W427-A429 VanDerWaalsContact C-N 3.31Å; W427-A429 PolarHBondContact O-N 3.39Å
430N98.2Very high94Very high4 Ų433.2 Ų33.22%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-120.1143.8-176.7-54.5-57.1000111L277 S278 D280 G293 F424 G428L277-N430 CarbonylContact C-O 3.52Å; L277-N430 WeakPolarHBondContact CA-O 3.43Å; S278-N430 PolarHBondContact N-O 3.03Å; S278-N430 PolarHBondContact O-N 3.24Å; S278-N430 WeakPolarHBondContact OG-CB 3.25Å; S278-N430 PolarHBondContact OG-ND2 3.22Å; D280-N430 PolarHBondContact OD1-ND2 3.13Å; G293-N430 WeakPolarHBondContact CA-ND2 3.35Å; F424-N430 HydrophobicContact CD1-CB 3.62Å; F424-N430 WeakPolarHBondContact CD1-OD1 3.49Å; F424-N430 HydrophobicContact CE1-CB 4.03Å; G428-N430 PolarHBondContact O-N 2.87Å; G428-N430 PolarHBondContact O-ND2 2.83Å; G428-N430 VanDerWaalsContact O-ND2 3.16Å
431A98.7Very high93.8Very high0 Ų034.6 Ų34.60%016%0.163CC..EExtended strand (participates in β ladder)trans-144.6147.2175.800000112.1T178 L181 H182 Y275 G276 S423T178-A431 HydrophobicContact CG2-CB 4.05Å; L181-A431 HydrophobicContact CB-CB 4.23Å; L181-A431 VanDerWaalsContact CD2-C 3.49Å; L181-A431 HydrophobicContact CD2-CB 3.67Å; L181-A431 WeakPolarHBondContact CD2-O 3.46Å; L181-A431 HydrophobicContact CG-CB 4.14Å; H182-A431 VanDerWaalsContact CD2-CB 3.43Å; H182-A431 WeakPolarHBondContact CD2-CB 3.31Å; Y275-A431 HydrophobicContact CE2-CB 4.09Å; G276-A431 CarbonylContact O-C 3.58Å; G276-A431 VanDerWaalsContact O-CA 3.27Å; G276-A431 WeakPolarHBondContact O-CA 3.49Å; S423-A431 PolarHBondContact N-O 3.12Å; S423-A431 PolarHBondContact O-N 3.01Å; S423-A431 VanDerWaalsContact O-O 3.14Å
432T98.9Very high93.5Very high0 Ų036.4 Ų36.40%017%0.172CC..EExtended strand (participates in β ladder)trans-136.2132.8173.2-57.90000109.1G276 S297 M298 A301 M420 K421 N422G276-T432 PolarHBondContact N-O 3.39Å; G276-T432 PolarHBondContact O-N 2.61Å; S297-T432 PolarHBondContact OG-OG1 3.34Å; S297-T432 VanDerWaalsContact OG-OG1 3.06Å; M298-T432 HydrophobicContact CG-CG2 4Å; M298-T432 WeakPolarHBondContact CG-OG1 3.44Å; M298-T432 PolarHBondContact N-OG1 3.06Å; A301-T432 HydrophobicContact CB-CG2 3.74Å; A301-T432 WeakPolarHBondContact CB-O 3.33Å; M420-T432 HydrophobicContact CB-CG2 4.07Å; M420-T432 HydrophobicContact CG-CG2 4.24Å; M420-T432 HydrophobicContact SD-CG2 3.96Å; K421-T432 CarbonylContact O-C 3.59Å; K421-T432 VanDerWaalsContact O-CA 3.26Å; K421-T432 WeakPolarHBondContact O-CA 3.34Å; N422-T432 VanDerWaalsContact OD1-CG2 3.3Å; N422-T432 WeakPolarHBondContact OD1-CG2 3.32Å; N422-T432 PolarHBondContact OD1-OG1 2.82Å
433L98.8Very high93.2Very high0 Ų038.4 Ų38.40%018%0.181CC..EExtended strand (participates in β ladder)trans-107.8137.7166-74.9176.8000109.8L181 I184 V272 Y275 T370 M420 K421 L435L181-L433 HydrophobicContact CD1-CB 4.22Å; L181-L433 HydrophobicContact CD1-CD1 3.42Å; L181-L433 VanDerWaalsContact CD1-CD1 3.42Å; L181-L433 HydrophobicContact CD1-CG 3.73Å; L181-L433 HydrophobicContact CG-CD1 4.13Å; L181-L433 HydrophobicContact CG-CG 4.04Å; I184-L433 HydrophobicContact CB-CD1 4Å; I184-L433 HydrophobicContact CG2-CD1 3.48Å; I184-L433 VanDerWaalsContact CG2-CD1 3.48Å; V272-L433 HydrophobicContact CG1-CD2 4.06Å; Y275-L433 HydrophobicContact CD2-CD2 3.66Å; Y275-L433 HydrophobicContact CD2-CG 4.39Å; Y275-L433 HydrophobicContact CG-CD2 3.96Å; T370-L433 HydrophobicContact CG2-CD1 4.06Å; M420-L433 CarbonylContact C-O 3.54Å; M420-L433 VanDerWaalsContact CA-O 3.26Å; M420-L433 WeakPolarHBondContact CA-O 3.42Å; K421-L433 PolarHBondContact N-O 2.8Å; K421-L433 PolarHBondContact O-N 2.92Å; L433-L435 HydrophobicContact CB-CD1 3.84Å
434C98.8Very high92.9Very high0 Ų040.6 Ų40.60%019%0.192CC..EExtended strand (participates in β ladder)trans-99.9122.3167.9-170.70000108.6L273 G274 A305 A419L273-C434 HydrophobicContact CB-CB 4.36Å; L273-C434 PolarHBondContact N-O 2.84Å; G274-C434 PolarHBondContact N-O 3.46Å; G274-C434 PolarHBondContact O-N 3.06Å; A305-C434 HydrophobicContact CB-CB 3.91Å; A419-C434 WeakPolarHBondContact O-CA 3.41Å
435L98.7Very high92.7Very high0 Ų041.6 Ų41.60%020%0.197CC..EExtended strand (participates in β ladder)trans-121.5152.2178.6-61.197.7000110A270 E271 V272 T370 T373 A374 V418 A419 K421 L433A270-L435 HydrophobicContact CB-CD2 4.39Å; E271-L435 CarbonylContact O-C 3.55Å; E271-L435 WeakPolarHBondContact O-CA 3.25Å; V272-L435 HydrophobicContact CG2-CD2 4.41Å; T370-L435 HydrophobicContact CG2-CD1 4.44Å; T370-L435 HydrophobicContact CG2-CD2 4Å; T373-L435 HydrophobicContact CG2-CD1 3.9Å; A374-L435 HydrophobicContact CB-CD2 4.2Å; V418-L435 CarbonylContact C-O 3.59Å; V418-L435 WeakPolarHBondContact CA-O 3.34Å; A419-L435 PolarHBondContact N-O 3.1Å; A419-L435 PolarHBondContact O-N 2.9Å; K421-L435 HydrophobicContact CB-CD1 4.27Å; L433-L435 HydrophobicContact CB-CD1 3.84Å
436A98.2Very high92.7Very high0 Ų043.6 Ų43.60%020%0.203CC..EExtended strand (participates in β ladder)trans-142.2152.2171.200000112.9A270 E271 L273 R416 R417 V418A270-A436 CarbonylContact C-O 3.47Å; A270-A436 VanDerWaalsContact CA-O 3.31Å; A270-A436 WeakPolarHBondContact CA-O 3.49Å; A270-A436 WeakPolarHBondContact CB-O 3.39Å; E271-A436 PolarHBondContact N-O 3.03Å; E271-A436 PolarHBondContact O-N 3.42Å; L273-A436 HydrophobicContact CD1-CB 3.53Å; L273-A436 HydrophobicContact CD2-CB 4.39Å; L273-A436 HydrophobicContact CG-CB 4Å; R416-A436 HydrophobicContact CB-CB 4.43Å; R417-A436 VanDerWaalsContact O-CA 3.25Å; R417-A436 WeakPolarHBondContact O-CA 3.41Å; V418-A436 HydrophobicContact CG2-CB 4.06Å
437S98.1Very high93Very high3 Ų342.6 Ų42.62%0.02120%0.199CC..PPolyproline II helixtrans-57.2155.6164.7670000110.1C377 R416 R417C377-S437 WeakPolarHBondContact O-CB 3.37Å; R416-S437 PolarHBondContact NE-O 3.44Å; R416-S437 PolarHBondContact NH2-O 3.15Å; R417-S437 PolarHBondContact N-OG 3.38Å; R417-S437 PolarHBondContact O-N 3.13Å
438M95.1Very high93.4Very high50 Ų5030.5 Ų30.525%0.24616%0.156CC..PPolyproline II helixtrans-63159.8165.5-61-55.4-73.500110.3V14 L258 I268 E271V14-M438 HydrophobicContact CG1-CE 4.49Å; V14-M438 HydrophobicContact CG1-SD 4.08Å; L258-M438 HydrophobicContact CD1-CE 3.76Å; I268-M438 HydrophobicContact CB-CG 4.06Å; I268-M438 HydrophobicContact CD1-CE 4.13Å; I268-M438 HydrophobicContact CG2-CG 3.45Å; I268-M438 VanDerWaalsContact CG2-CG 3.45Å; I268-M438 HydrophobicContact CG2-SD 3.59Å; I268-M438 VanDerWaalsContact CG2-SD 3.59Å; E271-M438 HydrophobicContact CB-SD 4.11Å
439D83.2Confident93.5Very high96 Ų9632.8 Ų32.851%0.51317%0.166SC..PPolyproline II helixtrans-59.6134.9167.8-62.2-49.5000108.7R416R416-D439 WeakPolarHBondContact CD-OD1 3.25Å; R416-D439 WeakPolarHBondContact CG-OD1 3.37Å; R416-D439 IonicContact NE-OD1 3.25Å
440Q58.6Low93.2Very high220 Ų22033.9 Ų33.9100%1.02817%0.166SC*.  trans-74.90179.7-74.5-171.8-14.200112.5R417R417-Q440 VanDerWaalsContact NH1-NE2 3.18Å

Retrieved 440 of 440 residues in 87.6 ms (Link to these results)

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