A0A096N4K0_PAPAN Loading...

3-hydroxyanthranilate 3,4-dioxygenase

Catalyzes the oxidative ring opening of 3-hydroxyanthranilate to 2-amino-3-carboxymuconate semialdehyde, which spontaneously cyclizes to quinolinate.

AlphaFold DB , UniProt , Accession A0A096N4K0, Species PAPAN (Papio anubis, Olive baboon), Gene HAAO, Length 285 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
1M51Low90.4Very high161 Ų16164.1 Ų64.179%0.79331%0.311SS*.  0135.50-124.3166-177.100108
2E69.4Low91.1Very high135 Ų13568.9 Ų68.963%0.63133%0.333SS*.  trans-64.8133170.1-162.3171.7175.100108.5R4E2-R4 WeakPolarHBondContact CG-O 3.3Å
3R89.6Confident91.6Very high60 Ų6075.8 Ų75.823%0.22636%0.364CS..SBendtrans-90.1-25-176.4-62.4-64.3-176.4-169.4-1112.5E30 L254 L255R3-E30 IonicContact CZ-OE1 3.58Å; R3-E30 VanDerWaalsContact CZ-OE1 3.27Å; R3-E30 VanDerWaalsContact NH1-CG 3.29Å; R3-E30 IonicContact NH1-OE1 3.2Å; R3-E30 PolarHBondContact NH1-OE1 3.4Å; R3-E30 IonicContact NH2-OE1 3.84Å; R3-E30 PolarHBondContact NH2-OE1 2.75Å; R3-L254 HydrophobicContact CB-CD1 3.97Å; R3-L254 WeakPolarHBondContact O-CA 3.16Å; R3-L255 PolarHBondContact O-N 3.28Å
4R96.8Very high92.1Very high91 Ų9171.9 Ų71.934%0.34335%0.346SS..EExtended strand (participates in β ladder)trans-91.1123.2170.8-174.9-172.765.2167.94.6108.4E2 S247 L248 S253 L254E2-R4 WeakPolarHBondContact CG-O 3.3Å; R4-S247 WeakPolarHBondContact CD-O 3.23Å; R4-S247 PolarHBondContact NH1-O 3.5Å; R4-L248 HydrophobicContact CG-CD2 3.67Å; R4-S253 CarbonylContact C-O 3.58Å; R4-S253 WeakPolarHBondContact CA-O 3.44Å; R4-L254 HydrophobicContact CB-CD1 4.06Å
5V97.4Very high92.4Very high20 Ų2072.3 Ų72.312%0.12134%0.343CS..EExtended strand (participates in β ladder)trans-145.8124.6-173-178.90000109.6V7 W10 M27 S253V5-V7 PolarHBondContact O-N 3.22Å; V5-W10 HydrophobicContact CG1-CB 3.35Å; V5-W10 VanDerWaalsContact CG1-CD1 3.49Å; V5-W10 HydrophobicContact CG1-CG 3.56Å; V5-M27 HydrophobicContact CB-SD 4.33Å; V5-M27 HydrophobicContact CG1-CE 3.94Å; V5-M27 HydrophobicContact CG1-SD 4.29Å; V5-S253 PolarHBondContact N-O 2.86Å; V5-S253 PolarHBondContact O-N 3.26Å; V5-S253 PolarHBondContact O-OG 2.72Å
6G98.4Very high92.7Very high17 Ų1771.2 Ų71.218%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-66.211716800000110.1A9 W10 D252G6-A9 PolarHBondContact O-N 3.18Å; G6-W10 VanDerWaalsContact O-CB 3.31Å; G6-W10 WeakPolarHBondContact O-CB 3.38Å; G6-W10 PolarHBondContact O-N 3.34Å; G6-D252 WeakPolarHBondContact CA-OD1 3.46Å
7V98.4Very high93Very high0 Ų068.4 Ų68.40%035%0.345CS..Hα-helixtrans-62.6-54.1-166.6169.80000112V5 A9 W10 V11 M27 F36 W229 W231 D251V5-V7 PolarHBondContact O-N 3.22Å; V7-A9 VanDerWaalsContact C-N 3.34Å; V7-A9 PolarHBondContact O-N 3.48Å; V7-W10 PolarHBondContact O-N 3Å; V7-V11 WeakPolarHBondContact O-CG2 3.32Å; V7-V11 PolarHBondContact O-N 3.36Å; V7-M27 HydrophobicContact CG2-CE 4.46Å; V7-F36 HydrophobicContact CG1-CE1 3.86Å; V7-F36 HydrophobicContact CG1-CE2 4.48Å; V7-F36 HydrophobicContact CG1-CZ 3.5Å; V7-W229 HydrophobicContact CG2-CZ2 4.12Å; V7-W231 HydrophobicContact CB-CZ2 4.16Å; V7-W231 HydrophobicContact CG1-CZ2 3.89Å; V7-W231 HydrophobicContact CG2-CD2 4.31Å; V7-W231 HydrophobicContact CG2-CG 4.28Å; V7-W231 HydrophobicContact CG2-CZ2 4.32Å; V7-D251 PolarHBondContact N-O 3.13Å; V7-D251 PolarHBondContact N-OD2 3.43Å
8R98.3Very high93.2Very high131 Ų13165 Ų6549%0.49433%0.328SS..Hα-helixtrans-66.4-37.1179-67.9175.3179-82.41.1111.9W10 V11 E12 D251R8-W10 VanDerWaalsContact C-N 3.33Å; R8-W10 PolarHBondContact O-N 3.16Å; R8-V11 PolarHBondContact O-N 3.35Å; R8-E12 WeakPolarHBondContact O-CB 3.48Å; R8-E12 PolarHBondContact O-N 2.85Å; R8-D251 WeakPolarHBondContact CB-OD2 3.3Å; R8-D251 WeakPolarHBondContact CG-OD2 3.38Å; R8-D251 PolarHBondContact N-OD2 2.65Å
9A98.4Very high93.4Very high66 Ų6667.5 Ų67.555%0.54534%0.338SS..Hα-helixtrans-61.7-43.3175.800000111.3G6 V7 E12 E13G6-A9 PolarHBondContact O-N 3.18Å; V7-A9 VanDerWaalsContact C-N 3.34Å; V7-A9 PolarHBondContact O-N 3.48Å; A9-E12 PolarHBondContact O-N 2.96Å; A9-E13 WeakPolarHBondContact O-CB 3.43Å; A9-E13 PolarHBondContact O-N 3.44Å
10W98.5Very high93.4Very high22 Ų2267.7 Ų67.78%0.08334%0.344CS..Hα-helixtrans-68.6-38.9176.5-175.893.9000112.4V5 G6 V7 R8 E12 E13 N14 F18 K25 M27 F36V5-W10 HydrophobicContact CG1-CB 3.35Å; V5-W10 VanDerWaalsContact CG1-CD1 3.49Å; V5-W10 HydrophobicContact CG1-CG 3.56Å; G6-W10 VanDerWaalsContact O-CB 3.31Å; G6-W10 WeakPolarHBondContact O-CB 3.38Å; G6-W10 PolarHBondContact O-N 3.34Å; V7-W10 PolarHBondContact O-N 3Å; R8-W10 VanDerWaalsContact C-N 3.33Å; R8-W10 PolarHBondContact O-N 3.16Å; W10-E12 VanDerWaalsContact C-N 3.32Å; W10-E13 PolarHBondContact O-N 2.94Å; W10-N14 PolarHBondContact NE1-ND2 3.43Å; W10-N14 VanDerWaalsContact O-CB 3.3Å; W10-N14 WeakPolarHBondContact O-CB 3.48Å; W10-N14 PolarHBondContact O-N 2.84Å; W10-N14 PolarHBondContact O-ND2 2.79Å; W10-F18 HydrophobicContact CH2-CZ 4.5Å; W10-F18 HydrophobicContact CZ3-CE1 4.48Å; W10-F18 AromaticContact CZ3-CZ 3.83Å; W10-F18 HydrophobicContact CZ3-CZ 3.83Å; W10-K25 HydrophobicContact CH2-CB 3.85Å; W10-K25 HydrophobicContact CH2-CD 3.75Å; W10-K25 HydrophobicContact CH2-CG 3.72Å; W10-K25 HydrophobicContact CZ2-CD 3.73Å; W10-K25 HydrophobicContact CZ2-CG 3.96Å; W10-M27 HydrophobicContact CB-CE 3.99Å; W10-M27 HydrophobicContact CD2-CE 3.59Å; W10-M27 HydrophobicContact CD2-CG 4.37Å; W10-M27 HydrophobicContact CE3-CE 3.56Å; W10-M27 HydrophobicContact CG-CE 3.79Å; W10-M27 HydrophobicContact CH2-CB 3.96Å; W10-M27 HydrophobicContact CZ2-CB 3.89Å; W10-M27 HydrophobicContact CZ2-CG 4.38Å; W10-M27 HydrophobicContact CZ3-CB 4.32Å; W10-M27 HydrophobicContact CZ3-CE 4.26Å; W10-F36 HydrophobicContact CE3-CD2 4.07Å; W10-F36 HydrophobicContact CH2-CD2 4.37Å; W10-F36 HydrophobicContact CZ3-CB 4.06Å; W10-F36 AromaticContact CZ3-CD2 3.55Å; W10-F36 HydrophobicContact CZ3-CD2 3.55Å; W10-F36 HydrophobicContact CZ3-CE2 4.38Å; W10-F36 HydrophobicContact CZ3-CG 4.04Å
11V98.4Very high93.2Very high2 Ų270.8 Ų70.81%0.01237%0.369CS..Hα-helixtrans-60.2-44.3172.61670000110.2V7 R8 N14 R15 F18 F36 L58 V100V7-V11 WeakPolarHBondContact O-CG2 3.32Å; V7-V11 PolarHBondContact O-N 3.36Å; R8-V11 PolarHBondContact O-N 3.35Å; V11-N14 CarbonylContact O-C 3.58Å; V11-N14 PolarHBondContact O-N 3.06Å; V11-R15 WeakPolarHBondContact O-CA 3.48Å; V11-R15 PolarHBondContact O-N 2.98Å; V11-F18 HydrophobicContact CB-CE2 4.25Å; V11-F18 HydrophobicContact CG1-CD2 4.28Å; V11-F18 HydrophobicContact CG1-CE2 3.8Å; V11-F18 HydrophobicContact CG2-CE2 4.47Å; V11-F18 WeakPolarHBondContact O-CE2 3.24Å; V11-F36 HydrophobicContact CG2-CD1 3.7Å; V11-F36 HydrophobicContact CG2-CE1 3.95Å; V11-F36 HydrophobicContact CG2-CG 4.03Å; V11-L58 HydrophobicContact CG1-CD2 4.47Å; V11-L58 HydrophobicContact CG2-CD2 4Å; V11-V100 HydrophobicContact CG1-CG1 3.98Å; V11-V100 HydrophobicContact CG1-CG2 4.2Å; V11-V100 HydrophobicContact CG2-CG1 4.29Å
12E98.3Very high94.9Very high122 Ų12266.7 Ų66.757%0.5735%0.353SS*.Hα-helixtrans-66.2-44.6178.3-172.355.8-151.900112.1R8 A9 W10 N14 R15R8-E12 WeakPolarHBondContact O-CB 3.48Å; R8-E12 PolarHBondContact O-N 2.85Å; A9-E12 PolarHBondContact O-N 2.96Å; W10-E12 VanDerWaalsContact C-N 3.32Å; E12-N14 PolarHBondContact O-N 2.98Å; E12-R15 WeakPolarHBondContact O-CB 3.35Å; E12-R15 PolarHBondContact O-N 2.91Å; E12-R15 VanDerWaalsContact O-N 3.16Å
13E98.2Very high96Very high158 Ų15860.7 Ų60.774%0.73833%0.326SS*.Hα-helixtrans-58.5-31.9175-174.6-178.5-172.600112.2A9 W10A9-E13 WeakPolarHBondContact O-CB 3.43Å; A9-E13 PolarHBondContact O-N 3.44Å; W10-E13 PolarHBondContact O-N 2.94Å
14N98Very high96.3Very high21 Ų2161 Ų6111%0.11233%0.332CS..THydrogen-bonded Turntrans-103.914.2-177.5-66.8-84.5000113.6W10 V11 E12 G16 S17 F18 K25W10-N14 PolarHBondContact NE1-ND2 3.43Å; W10-N14 VanDerWaalsContact O-CB 3.3Å; W10-N14 WeakPolarHBondContact O-CB 3.48Å; W10-N14 PolarHBondContact O-N 2.84Å; W10-N14 PolarHBondContact O-ND2 2.79Å; V11-N14 CarbonylContact O-C 3.58Å; V11-N14 PolarHBondContact O-N 3.06Å; E12-N14 PolarHBondContact O-N 2.98Å; N14-G16 PolarHBondContact O-N 3.41Å; N14-S17 WeakPolarHBondContact O-CB 3.27Å; N14-S17 PolarHBondContact O-N 3.43Å; N14-S17 PolarHBondContact O-OG 2.84Å; N14-F18 HydrophobicContact CB-CE2 4.21Å; N14-F18 HydrophobicContact CB-CZ 4.09Å; N14-F18 WeakPolarHBondContact O-CE2 3.49Å; N14-K25 HydrophobicContact CB-CD 3.77Å; N14-K25 WeakPolarHBondContact OD1-CD 3.44Å; N14-K25 WeakPolarHBondContact OD1-CE 3.45Å; N14-K25 PolarHBondContact OD1-NZ 2.88Å
15R97.1Very high96.3Very high79 Ų7960 Ų6030%0.29833%0.33SS..G310 helixtrans-49.7-39.1-172.3-166.877.4-155-158.510.6113.4V11 E12 S17 F18 E59V11-R15 WeakPolarHBondContact O-CA 3.48Å; V11-R15 PolarHBondContact O-N 2.98Å; E12-R15 WeakPolarHBondContact O-CB 3.35Å; E12-R15 PolarHBondContact O-N 2.91Å; E12-R15 VanDerWaalsContact O-N 3.16Å; R15-S17 PolarHBondContact O-N 2.8Å; R15-S17 VanDerWaalsContact O-N 3.12Å; R15-F18 PolarHBondContact O-N 2.8Å; R15-F18 VanDerWaalsContact O-N 3.15Å; R15-E59 IonicContact CZ-OE2 2.85Å; R15-E59 VanDerWaalsContact NH1-CD 3.32Å; R15-E59 IonicContact NH1-OE1 2.8Å; R15-E59 PolarHBondContact NH1-OE1 2.77Å; R15-E59 IonicContact NH1-OE2 2.76Å; R15-E59 PolarHBondContact NH1-OE2 3.47Å; R15-E59 IonicContact NH2-OE2 2.92Å; R15-E59 PolarHBondContact NH2-OE2 3.02Å
16G96.8Very high96.3Very high54 Ų5461 Ų6156%0.55733%0.334SS*.G310 helixtrans-62.3-15.7179.200000115.3N14N14-G16 PolarHBondContact O-N 3.41Å
17S97.3Very high96.3Very high23 Ų2360.3 Ų60.316%0.16133%0.326CS..G310 helixtrans-84.5-15.6177.9-54.70000113.3N14 R15 Q19 C23 N24N14-S17 WeakPolarHBondContact O-CB 3.27Å; N14-S17 PolarHBondContact O-N 3.43Å; N14-S17 PolarHBondContact O-OG 2.84Å; R15-S17 PolarHBondContact O-N 2.8Å; R15-S17 VanDerWaalsContact O-N 3.12Å; S17-Q19 VanDerWaalsContact C-N 3.28Å; S17-Q19 PolarHBondContact O-N 3.05Å; S17-C23 CarbonylContact O-C 3.54Å; S17-C23 VanDerWaalsContact O-C 3.26Å; S17-C23 VanDerWaalsContact O-CA 3.32Å; S17-C23 WeakPolarHBondContact O-CA 3.42Å; S17-C23 PolarHBondContact O-N 2.75Å; S17-C23 VanDerWaalsContact O-N 3.08Å; S17-N24 PolarHBondContact O-N 2.78Å
18F97.9Very high96.3Very high8 Ų860.3 Ų60.34%0.03533%0.327CS..SBendtrans-94.423.9-172.6-52.2-49.5000113.6W10 V11 N14 R15 K25 F36 G38 G39 V100W10-F18 HydrophobicContact CH2-CZ 4.5Å; W10-F18 HydrophobicContact CZ3-CE1 4.48Å; W10-F18 AromaticContact CZ3-CZ 3.83Å; W10-F18 HydrophobicContact CZ3-CZ 3.83Å; V11-F18 HydrophobicContact CB-CE2 4.25Å; V11-F18 HydrophobicContact CG1-CD2 4.28Å; V11-F18 HydrophobicContact CG1-CE2 3.8Å; V11-F18 HydrophobicContact CG2-CE2 4.47Å; V11-F18 WeakPolarHBondContact O-CE2 3.24Å; N14-F18 HydrophobicContact CB-CE2 4.21Å; N14-F18 HydrophobicContact CB-CZ 4.09Å; N14-F18 WeakPolarHBondContact O-CE2 3.49Å; R15-F18 PolarHBondContact O-N 2.8Å; R15-F18 VanDerWaalsContact O-N 3.15Å; F18-K25 HydrophobicContact CE1-CB 4.04Å; F18-F36 HydrophobicContact CD1-CB 4.41Å; F18-F36 HydrophobicContact CE1-CB 3.56Å; F18-F36 WeakPolarHBondContact CE1-O 3.35Å; F18-F36 HydrophobicContact CZ-CB 3.84Å; F18-G38 CarbonylContact O-C 3.42Å; F18-G38 WeakPolarHBondContact O-CA 3.46Å; F18-G39 PolarHBondContact O-N 2.75Å; F18-G39 VanDerWaalsContact O-N 3.13Å; F18-V100 HydrophobicContact CB-CG2 4.41Å; F18-V100 HydrophobicContact CD2-CG2 4.2Å; F18-V100 HydrophobicContact CG-CG2 4.38Å
19Q95.6Very high96.2Very high113 Ų11358 Ų5853%0.52832%0.321SS..SBendtrans-135.8160.3175.262.3-174.5-800110S17 V22 C23S17-Q19 VanDerWaalsContact C-N 3.28Å; S17-Q19 PolarHBondContact O-N 3.05Å; Q19-V22 PolarHBondContact O-N 3.36Å; Q19-C23 PolarHBondContact O-N 2.97Å
20P94.4Very high96.1Very high70 Ų7057.7 Ų57.746%0.45531%0.309SS..THydrogen-bonded Turntrans-54.8146.3175.7-27.936000112.8C23 P40P20-C23 VanDerWaalsContact CA-SG 3.59Å; P20-C23 VanDerWaalsContact N-SG 3.43Å; P20-P40 HydrophobicContact CG-CG 4.33Å; P20-P40 WeakPolarHBondContact CG-O 3.39Å
21P87.9Confident96.1Very high134 Ų13457.8 Ų57.887%0.8731%0.31SS*.THydrogen-bonded Turncis-88.2-1.63.235.4-36.4000114.8
22V86.8Confident96.1Very high75 Ų7557.7 Ų57.746%0.45531%0.309SS..THydrogen-bonded Turntrans-83.5-50.4-172.7179.90000110.9Q19 N24Q19-V22 PolarHBondContact O-N 3.36Å; V22-N24 VanDerWaalsContact CG1-O 3.27Å; V22-N24 WeakPolarHBondContact CG1-O 3.33Å; V22-N24 PolarHBondContact O-N 2.89Å; V22-N24 PolarHBondContact O-ND2 3.27Å
23C93.7Very high96.1Very high9 Ų952.9 Ų52.96%0.06129%0.287CS..  trans55.7-13.4179.6-66.20000117.5S17 Q19 P20 V37 G38S17-C23 CarbonylContact O-C 3.54Å; S17-C23 VanDerWaalsContact O-C 3.26Å; S17-C23 VanDerWaalsContact O-CA 3.32Å; S17-C23 WeakPolarHBondContact O-CA 3.42Å; S17-C23 PolarHBondContact O-N 2.75Å; S17-C23 VanDerWaalsContact O-N 3.08Å; Q19-C23 PolarHBondContact O-N 2.97Å; P20-C23 VanDerWaalsContact CA-SG 3.59Å; P20-C23 VanDerWaalsContact N-SG 3.43Å; C23-V37 CarbonylContact O-C 3.57Å; C23-V37 WeakPolarHBondContact O-CA 3.36Å; C23-V37 WeakPolarHBondContact O-CG1 3.24Å; C23-G38 PolarHBondContact O-N 3.49Å
24N96.2Very high96.1Very high65 Ų6545.4 Ų45.435%0.34825%0.252SS..EExtended strand (participates in β ladder)trans-146155.7-17774.294.6000112.4S17 V22 F36 V37S17-N24 PolarHBondContact O-N 2.78Å; V22-N24 VanDerWaalsContact CG1-O 3.27Å; V22-N24 WeakPolarHBondContact CG1-O 3.33Å; V22-N24 PolarHBondContact O-N 2.89Å; V22-N24 PolarHBondContact O-ND2 3.27Å; N24-F36 CarbonylContact C-O 3.46Å; N24-F36 VanDerWaalsContact CA-O 3.29Å; N24-F36 WeakPolarHBondContact CA-O 3.24Å; N24-V37 HydrophobicContact CB-CB 4.31Å; N24-V37 HydrophobicContact CB-CG1 4Å; N24-V37 HydrophobicContact CB-CG2 3.96Å
25K97.2Very high96.1Very high70 Ų7045.5 Ų45.530%0.30425%0.252SS..EExtended strand (participates in β ladder)trans-148.7132.3170.7-168.6178-176131.20111.2W10 N14 F18 M35 F36W10-K25 HydrophobicContact CH2-CB 3.85Å; W10-K25 HydrophobicContact CH2-CD 3.75Å; W10-K25 HydrophobicContact CH2-CG 3.72Å; W10-K25 HydrophobicContact CZ2-CD 3.73Å; W10-K25 HydrophobicContact CZ2-CG 3.96Å; N14-K25 HydrophobicContact CB-CD 3.77Å; N14-K25 WeakPolarHBondContact OD1-CD 3.44Å; N14-K25 WeakPolarHBondContact OD1-CE 3.45Å; N14-K25 PolarHBondContact OD1-NZ 2.88Å; F18-K25 HydrophobicContact CE1-CB 4.04Å; K25-M35 WeakPolarHBondContact O-CA 3.24Å; K25-F36 PolarHBondContact N-O 3.24Å; K25-F36 PolarHBondContact O-N 3.34Å
26L97.2Very high96.2Very high42 Ų4241.8 Ų41.822%0.2224%0.238CC..EExtended strand (participates in β ladder)trans-75.1121.7170.6-75.5153.6000110.1H28 Q29 K33 M35L26-H28 WeakPolarHBondContact CD2-O 3.22Å; L26-Q29 HydrophobicContact CB-CB 4.49Å; L26-Q29 HydrophobicContact CD1-CB 4.14Å; L26-Q29 HydrophobicContact CD1-CG 3.8Å; L26-Q29 HydrophobicContact CD2-CB 4.43Å; L26-K33 HydrophobicContact CD2-CB 4.05Å; L26-M35 HydrophobicContact CD2-CB 3.84Å; L26-M35 HydrophobicContact CG-CB 4.21Å
27M97.8Very high96.3Very high2 Ų240 Ų401%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-75-41.3164.5-178-177.4-78.500109.7V5 V7 W10 V34 F36 W229V5-M27 HydrophobicContact CB-SD 4.33Å; V5-M27 HydrophobicContact CG1-CE 3.94Å; V5-M27 HydrophobicContact CG1-SD 4.29Å; V7-M27 HydrophobicContact CG2-CE 4.46Å; W10-M27 HydrophobicContact CB-CE 3.99Å; W10-M27 HydrophobicContact CD2-CE 3.59Å; W10-M27 HydrophobicContact CD2-CG 4.37Å; W10-M27 HydrophobicContact CE3-CE 3.56Å; W10-M27 HydrophobicContact CG-CE 3.79Å; W10-M27 HydrophobicContact CH2-CB 3.96Å; W10-M27 HydrophobicContact CZ2-CB 3.89Å; W10-M27 HydrophobicContact CZ2-CG 4.38Å; W10-M27 HydrophobicContact CZ3-CB 4.32Å; W10-M27 HydrophobicContact CZ3-CE 4.26Å; M27-V34 HydrophobicContact CB-CG1 4.4Å; M27-V34 PolarHBondContact N-O 2.92Å; M27-V34 HydrophobicContact SD-CG1 4.47Å; M27-F36 HydrophobicContact CB-CD2 4.47Å; M27-F36 HydrophobicContact CB-CE2 4.43Å; M27-F36 HydrophobicContact CE-CD2 4.12Å; M27-F36 HydrophobicContact CE-CE2 3.41Å; M27-F36 VanDerWaalsContact CE-CE2 3.41Å; M27-F36 HydrophobicContact CE-CZ 4.13Å; M27-F36 HydrophobicContact SD-CE2 4.14Å; M27-W229 HydrophobicContact SD-CZ2 4.43Å
28H97.8Very high96.3Very high1 Ų138.9 Ų38.91%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-139.1138.4177.3-58.7-44.5000111.1L26 K33 V34 W229 L255L26-H28 WeakPolarHBondContact CD2-O 3.22Å; H28-K33 WeakPolarHBondContact O-CA 3.16Å; H28-V34 HydrophobicContact CB-CB 4.12Å; H28-V34 HydrophobicContact CB-CG2 4.31Å; H28-V34 PolarHBondContact N-O 2.89Å; H28-V34 VanDerWaalsContact N-O 3.08Å; H28-V34 PolarHBondContact O-N 3.12Å; H28-W229 AromaticContact CD2-CD1 3.78Å; H28-W229 AromaticContact CD2-NE1 3.8Å; H28-W229 AromaticContact NE2-NE1 3.84Å; H28-L255 HydrophobicContact CB-CD2 3.85Å
29Q96.5Very high96.3Very high82 Ų8238.7 Ų38.738%0.38321%0.208SC..EExtended strand (participates in β ladder)trans-128.851.3-177.7-165.7179.61.200111.7L26 K33 D136L26-Q29 HydrophobicContact CB-CB 4.49Å; L26-Q29 HydrophobicContact CD1-CB 4.14Å; L26-Q29 HydrophobicContact CD1-CG 3.8Å; L26-Q29 HydrophobicContact CD2-CB 4.43Å; Q29-K33 VanDerWaalsContact C-NZ 3.31Å; Q29-K33 HydrophobicContact CB-CD 4.4Å; Q29-K33 HydrophobicContact CG-CD 3.89Å; Q29-K33 PolarHBondContact O-NZ 3.01Å; Q29-D136 PolarHBondContact NE2-OD2 3.03Å
30E96.9Very high96.4Very high60 Ų6036.6 Ų36.628%0.2821%0.205SC..SBendtrans-104.5-127.9-172.6-60.9-63174.100112.2R3 L32 K33 R107 D227 L255 L257R3-E30 IonicContact CZ-OE1 3.58Å; R3-E30 VanDerWaalsContact CZ-OE1 3.27Å; R3-E30 VanDerWaalsContact NH1-CG 3.29Å; R3-E30 IonicContact NH1-OE1 3.2Å; R3-E30 PolarHBondContact NH1-OE1 3.4Å; R3-E30 IonicContact NH2-OE1 3.84Å; R3-E30 PolarHBondContact NH2-OE1 2.75Å; E30-L32 PolarHBondContact N-O 3.11Å; E30-K33 PolarHBondContact O-NZ 3.15Å; E30-R107 VanDerWaalsContact C-NH2 3.34Å; E30-R107 PolarHBondContact O-NE 3.13Å; E30-R107 PolarHBondContact O-NH2 2.94Å; E30-R107 VanDerWaalsContact O-NH2 3.13Å; E30-D227 WeakPolarHBondContact CB-OD2 3.24Å; E30-L255 HydrophobicContact CB-CD2 4.22Å; E30-L255 HydrophobicContact CG-CD2 3.86Å; E30-L257 HydrophobicContact CB-CD2 4.24Å; E30-L257 HydrophobicContact CG-CD2 3.86Å
31Q98.1Very high96.5Very high23 Ų2335.9 Ų35.911%0.10720%0.197CC..SBendtrans-73-43164.8-178.2-82.7-34.100109R106 R107 D227 Q277Q31-R106 CarbonylContact O-C 3.58Å; Q31-R106 WeakPolarHBondContact O-CA 3.4Å; Q31-R107 PolarHBondContact O-N 2.91Å; Q31-D227 WeakPolarHBondContact CA-OD2 3.17Å; Q31-D227 HydrophobicContact CB-CB 4.42Å; Q31-D227 WeakPolarHBondContact CB-OD2 3.45Å; Q31-D227 PolarHBondContact N-OD2 3.39Å; Q31-Q277 PolarHBondContact NE2-O 3.49Å
32L98.4Very high96.9Very high0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-84.3137.6162.3-74.1175.8000110.9E30 V34 V104 R106 D227 W229 L255 V275 Q277E30-L32 PolarHBondContact N-O 3.11Å; L32-V34 HydrophobicContact CB-CG2 4.41Å; L32-V104 HydrophobicContact CD2-CG1 3.99Å; L32-R106 HydrophobicContact CD2-CB 4.47Å; L32-D227 HydrophobicContact CB-CB 4.16Å; L32-D227 HydrophobicContact CD1-CB 4.03Å; L32-D227 HydrophobicContact CG-CB 3.96Å; L32-D227 PolarHBondContact N-OD2 3.43Å; L32-W229 HydrophobicContact CD1-CB 4.02Å; L32-L255 HydrophobicContact CB-CD1 4.35Å; L32-L255 HydrophobicContact CD1-CD1 4.43Å; L32-V275 WeakPolarHBondContact CD1-O 3.49Å; L32-Q277 HydrophobicContact CD2-CB 3.88Å; L32-Q277 HydrophobicContact CD2-CG 4.14Å
33K98.4Very high97.3Very high22 Ų2233.4 Ų33.410%0.09617%0.173CC..EExtended strand (participates in β ladder)trans-103.1107.3167.3-51.4-54.5-170.7-164.10107.1L26 H28 Q29 E30 M35 V104 E105L26-K33 HydrophobicContact CD2-CB 4.05Å; H28-K33 WeakPolarHBondContact O-CA 3.16Å; Q29-K33 VanDerWaalsContact C-NZ 3.31Å; Q29-K33 HydrophobicContact CB-CD 4.4Å; Q29-K33 HydrophobicContact CG-CD 3.89Å; Q29-K33 PolarHBondContact O-NZ 3.01Å; E30-K33 PolarHBondContact O-NZ 3.15Å; K33-M35 HydrophobicContact CB-CE 4.37Å; K33-V104 WeakPolarHBondContact O-CA 3.49Å; K33-E105 HydrophobicContact CB-CG 3.67Å; K33-E105 HydrophobicContact CG-CG 4.05Å; K33-E105 PolarHBondContact N-O 2.84Å; K33-E105 PolarHBondContact O-N 2.81Å; K33-E105 VanDerWaalsContact O-N 3.12Å
34V98.6Very high97.5Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-107.1113.8177.2-177.30000106.9M27 H28 L32 L102 V104 W229M27-V34 HydrophobicContact CB-CG1 4.4Å; M27-V34 PolarHBondContact N-O 2.92Å; M27-V34 HydrophobicContact SD-CG1 4.47Å; H28-V34 HydrophobicContact CB-CB 4.12Å; H28-V34 HydrophobicContact CB-CG2 4.31Å; H28-V34 PolarHBondContact N-O 2.89Å; H28-V34 VanDerWaalsContact N-O 3.08Å; H28-V34 PolarHBondContact O-N 3.12Å; L32-V34 HydrophobicContact CB-CG2 4.41Å; V34-L102 HydrophobicContact CG1-CD1 3.78Å; V34-V104 HydrophobicContact CG1-CG2 4.44Å; V34-V104 HydrophobicContact CG2-CG1 4.35Å; V34-V104 HydrophobicContact CG2-CG2 4.44Å; V34-W229 HydrophobicContact CG1-CD2 4.16Å; V34-W229 HydrophobicContact CG1-CH2 4.41Å; V34-W229 HydrophobicContact CG1-CZ2 4Å; V34-W229 HydrophobicContact CG2-CB 4.26Å; V34-W229 HydrophobicContact CG2-CD2 4.17Å; V34-W229 HydrophobicContact CG2-CG 3.93Å
35M98.3Very high97.6Very high24 Ų2438.2 Ų38.212%0.11819%0.19CC..EExtended strand (participates in β ladder)trans-133.6152.3-175.168.5-172.9107.800112.4K25 L26 K33 V37 L102 V103 E105K25-M35 WeakPolarHBondContact O-CA 3.24Å; L26-M35 HydrophobicContact CD2-CB 3.84Å; L26-M35 HydrophobicContact CG-CB 4.21Å; K33-M35 HydrophobicContact CB-CE 4.37Å; M35-V37 HydrophobicContact CG-CG2 4.11Å; M35-V37 HydrophobicContact SD-CG2 4.37Å; M35-L102 WeakPolarHBondContact O-CA 3.33Å; M35-V103 HydrophobicContact CE-CB 4.41Å; M35-V103 HydrophobicContact CE-CG1 4.16Å; M35-V103 HydrophobicContact CG-CB 3.77Å; M35-V103 PolarHBondContact N-O 3.5Å; M35-V103 PolarHBondContact O-N 2.83Å; M35-V103 HydrophobicContact SD-CB 4.38Å; M35-E105 HydrophobicContact CE-CG 3.7Å; M35-E105 WeakPolarHBondContact CE-OE2 3.39Å
36F98.7Very high97.7Very high0 Ų035.4 Ų35.40%018%0.178CC..EExtended strand (participates in β ladder)trans-114.5137.8171.2-70.2-97.2000109.3V7 W10 V11 F18 N24 K25 M27 L58 V100 G101 L102V7-F36 HydrophobicContact CG1-CE1 3.86Å; V7-F36 HydrophobicContact CG1-CE2 4.48Å; V7-F36 HydrophobicContact CG1-CZ 3.5Å; W10-F36 HydrophobicContact CE3-CD2 4.07Å; W10-F36 HydrophobicContact CH2-CD2 4.37Å; W10-F36 HydrophobicContact CZ3-CB 4.06Å; W10-F36 AromaticContact CZ3-CD2 3.55Å; W10-F36 HydrophobicContact CZ3-CD2 3.55Å; W10-F36 HydrophobicContact CZ3-CE2 4.38Å; W10-F36 HydrophobicContact CZ3-CG 4.04Å; V11-F36 HydrophobicContact CG2-CD1 3.7Å; V11-F36 HydrophobicContact CG2-CE1 3.95Å; V11-F36 HydrophobicContact CG2-CG 4.03Å; F18-F36 HydrophobicContact CD1-CB 4.41Å; F18-F36 HydrophobicContact CE1-CB 3.56Å; F18-F36 WeakPolarHBondContact CE1-O 3.35Å; F18-F36 HydrophobicContact CZ-CB 3.84Å; N24-F36 CarbonylContact C-O 3.46Å; N24-F36 VanDerWaalsContact CA-O 3.29Å; N24-F36 WeakPolarHBondContact CA-O 3.24Å; K25-F36 PolarHBondContact N-O 3.24Å; K25-F36 PolarHBondContact O-N 3.34Å; M27-F36 HydrophobicContact CB-CD2 4.47Å; M27-F36 HydrophobicContact CB-CE2 4.43Å; M27-F36 HydrophobicContact CE-CD2 4.12Å; M27-F36 HydrophobicContact CE-CE2 3.41Å; M27-F36 VanDerWaalsContact CE-CE2 3.41Å; M27-F36 HydrophobicContact CE-CZ 4.13Å; M27-F36 HydrophobicContact SD-CE2 4.14Å; F36-L58 HydrophobicContact CE1-CD2 4.29Å; F36-V100 HydrophobicContact CB-CG1 4.27Å; F36-V100 HydrophobicContact CD1-CG1 3.91Å; F36-G101 CarbonylContact C-O 3.53Å; F36-G101 VanDerWaalsContact CA-O 3.31Å; F36-G101 WeakPolarHBondContact CA-O 3.39Å; F36-L102 HydrophobicContact CD1-CB 4.34Å; F36-L102 HydrophobicContact CE1-CB 3.94Å; F36-L102 HydrophobicContact CE1-CD1 4.3Å; F36-L102 HydrophobicContact CE2-CD1 4Å; F36-L102 HydrophobicContact CZ-CB 4.31Å; F36-L102 HydrophobicContact CZ-CD1 3.85Å
37V98.4Very high97.8Very high17 Ų1733.9 Ų33.910%0.10317%0.17CC..EExtended strand (participates in β ladder)trans-134126.7-171.9-167.40000109.4C23 N24 M35 R95 G101 V103C23-V37 CarbonylContact O-C 3.57Å; C23-V37 WeakPolarHBondContact O-CA 3.36Å; C23-V37 WeakPolarHBondContact O-CG1 3.24Å; N24-V37 HydrophobicContact CB-CB 4.31Å; N24-V37 HydrophobicContact CB-CG1 4Å; N24-V37 HydrophobicContact CB-CG2 3.96Å; M35-V37 HydrophobicContact CG-CG2 4.11Å; M35-V37 HydrophobicContact SD-CG2 4.37Å; V37-R95 PolarHBondContact O-NH1 3.34Å; V37-G101 PolarHBondContact N-O 3.01Å; V37-G101 PolarHBondContact O-N 2.92Å; V37-V103 HydrophobicContact CG2-CG2 4.19Å
38G98.4Very high97.8Very high0 Ų033.8 Ų33.80%017%0.169CC..EExtended strand (participates in β ladder)trans-109.5-154.8172.700000113.6F18 C23 R95 T99F18-G38 CarbonylContact O-C 3.42Å; F18-G38 WeakPolarHBondContact O-CA 3.46Å; C23-G38 PolarHBondContact O-N 3.49Å; G38-R95 WeakPolarHBondContact O-CB 3.2Å; G38-R95 WeakPolarHBondContact O-CD 3.44Å; G38-T99 WeakPolarHBondContact CA-O 3.45Å
39G97.6Very high97.9Very high3 Ų334 Ų343%0.03117%0.17CC..SBendtrans-164.2-176.9-174.200000113.5F18 F96F18-G39 PolarHBondContact O-N 2.75Å; F18-G39 VanDerWaalsContact O-N 3.13Å; G39-F96 CarbonylContact C-O 3.46Å; G39-F96 VanDerWaalsContact CA-O 3.32Å; G39-F96 WeakPolarHBondContact CA-O 3.32Å
40P97.9Very high98Very high70 Ų7031.2 Ų31.246%0.45516%0.157SC..SBendcis-76.4136.711.730.6-34000112.5P20 R95 A97P20-P40 HydrophobicContact CG-CG 4.33Å; P20-P40 WeakPolarHBondContact CG-O 3.39Å; P40-R95 CarbonylContact C-O 3.54Å; P40-R95 WeakPolarHBondContact CA-O 3.36Å; P40-A97 HydrophobicContact CB-CB 4.44Å; P40-A97 HydrophobicContact CG-CB 4.31Å
41N96.6Very high98Very high55 Ų5528.5 Ų28.529%0.29415%0.145SC..BIsolated β-bridgetrans-147.599.5172.1-173.821.1000108.8R95N41-R95 PolarHBondContact N-O 2.82Å; N41-R95 PolarHBondContact O-N 2.86Å
42T95.3Very high98.1Very high98 Ų9827.6 Ų27.660%0.60114%0.141SC*.  trans-111.8133.7175.655.80000109.1Q94T42-Q94 VanDerWaalsContact CA-OE1 3.27Å
43R95.9Very high98.1Very high59 Ų5928.1 Ų28.122%0.22314%0.143CC..  trans-144.5159.5-170.173.7-164.5-69.6-175.3-1.2111.1D45 S92 Q94R43-D45 VanDerWaalsContact CB-OD1 3.27Å; R43-D45 WeakPolarHBondContact CB-OD1 3.38Å; R43-D45 WeakPolarHBondContact CG-OD1 3.32Å; R43-D45 IonicContact CZ-OD1 2.71Å; R43-D45 IonicContact CZ-OD2 2.93Å; R43-D45 IonicContact NE-OD1 3.65Å; R43-D45 PolarHBondContact NE-OD1 3.46Å; R43-D45 IonicContact NE-OD2 3.05Å; R43-D45 PolarHBondContact NE-OD2 3.32Å; R43-D45 IonicContact NH2-OD1 3.71Å; R43-D45 IonicContact NH2-OD2 3.61Å; R43-D45 PolarHBondContact NH2-OD2 2.9Å; R43-S92 PolarHBondContact O-OG 3.31Å; R43-Q94 PolarHBondContact O-NE2 3.22Å; R43-Q94 PolarHBondContact O-OE1 3.08Å
44K97.6Very high98.1Very high169 Ų16927.2 Ų27.274%0.73514%0.14SC*.  trans-108.6-13.3-177.9-70-167.7176.4-170.10113.5Y118K44-Y118 HydrophobicContact CB-CD1 4.06Å; K44-Y118 HydrophobicContact CB-CE1 4.16Å
45D98.2Very high98.1Very high6 Ų627.4 Ų27.43%0.03214%0.14CC..  trans-74.7142174.951.3-54.6000111.4R43 S92 L116 R117 Y118R43-D45 VanDerWaalsContact CB-OD1 3.27Å; R43-D45 WeakPolarHBondContact CB-OD1 3.38Å; R43-D45 WeakPolarHBondContact CG-OD1 3.32Å; R43-D45 IonicContact CZ-OD1 2.71Å; R43-D45 IonicContact CZ-OD2 2.93Å; R43-D45 IonicContact NE-OD1 3.65Å; R43-D45 PolarHBondContact NE-OD1 3.46Å; R43-D45 IonicContact NE-OD2 3.05Å; R43-D45 PolarHBondContact NE-OD2 3.32Å; R43-D45 IonicContact NH2-OD1 3.71Å; R43-D45 IonicContact NH2-OD2 3.61Å; R43-D45 PolarHBondContact NH2-OD2 2.9Å; D45-S92 WeakPolarHBondContact O-CB 3.49Å; D45-S92 PolarHBondContact O-OG 2.84Å; D45-L116 HydrophobicContact CB-CD1 4.02Å; D45-L116 HydrophobicContact CB-CD2 4.27Å; D45-L116 HydrophobicContact CB-CG 3.99Å; D45-L116 WeakPolarHBondContact OD2-CD1 3.31Å; D45-R117 CarbonylContact C-O 3.51Å; D45-R117 VanDerWaalsContact CA-O 3.28Å; D45-R117 WeakPolarHBondContact CA-O 3.41Å; D45-Y118 HydrophobicContact CB-CD1 4.16Å; D45-Y118 HydrophobicContact CB-CD2 4.22Å; D45-Y118 HydrophobicContact CB-CE1 3.67Å; D45-Y118 HydrophobicContact CB-CE2 3.74Å; D45-Y118 HydrophobicContact CB-CG 4.43Å; D45-Y118 VanDerWaalsContact CB-CZ 3.46Å
46Y98.8Very high98.2Very high11 Ų1127.5 Ų27.54%0.04314%0.14CC..EExtended strand (participates in β ladder)trans-104.3122172.1-77.2-105.6000108.2R65 L67 H72 P90 H91 R117 Y119Y46-R65 HydrophobicContact CE1-CB 4.34Å; Y46-R65 WeakPolarHBondContact OH-CB 3.5Å; Y46-L67 HydrophobicContact CD1-CG 4.18Å; Y46-L67 HydrophobicContact CE1-CD2 4.39Å; Y46-L67 HydrophobicContact CE1-CG 3.91Å; Y46-H72 AromaticContact CZ-CE1 3.99Å; Y46-H72 AromaticContact CZ-ND1 3.86Å; Y46-H72 PolarHBondContact OH-ND1 2.8Å; Y46-P90 HydrophobicContact CD1-CB 3.9Å; Y46-P90 HydrophobicContact CG-CB 4.42Å; Y46-H91 CarbonylContact C-O 3.52Å; Y46-H91 VanDerWaalsContact CA-O 3.26Å; Y46-H91 WeakPolarHBondContact CA-O 3.47Å; Y46-R117 PolarHBondContact N-O 2.85Å; Y46-R117 PolarHBondContact O-N 2.77Å; Y46-Y119 AromaticContact CD2-CD2 3.73Å; Y46-Y119 HydrophobicContact CD2-CD2 3.73Å; Y46-Y119 AromaticContact CD2-CE2 3.98Å; Y46-Y119 HydrophobicContact CD2-CE2 3.98Å; Y46-Y119 HydrophobicContact CE2-CD2 4.18Å; Y46-Y119 HydrophobicContact CG-CD2 4.19Å; Y46-Y119 AromaticContact CG-CE2 3.95Å; Y46-Y119 HydrophobicContact CG-CE2 3.95Å
47H98.8Very high98.2Very high10 Ų1027.6 Ų27.65%0.04614%0.14CC..EExtended strand (participates in β ladder)trans-86.1144.9169.2175.5-138.8000109.3E49 E53 P90 H91 D114 G115 L116H47-E49 IonicContact CE1-OE1 3.54Å; H47-E49 PolarHBondContact CE1-OE1 2.6Å; H47-E53 IonicContact CE1-OE1 3.33Å; H47-E53 IonicContact ND1-OE1 3.39Å; H47-P90 WeakPolarHBondContact O-CA 3.29Å; H47-H91 AromaticContact CG-CE1 3.88Å; H47-H91 AromaticContact CG-NE2 3.87Å; H47-H91 PolarHBondContact N-O 3.45Å; H47-H91 AromaticContact ND1-CE1 3.46Å; H47-H91 PolarHBondContact ND1-CE1 3.38Å; H47-H91 AromaticContact ND1-NE2 3.35Å; H47-H91 PolarHBondContact ND1-NE2 3.43Å; H47-H91 PolarHBondContact O-CE1 3.02Å; H47-H91 PolarHBondContact O-N 2.93Å; H47-H91 PolarHBondContact O-ND1 2.93Å; H47-H91 VanDerWaalsContact O-ND1 3.11Å; H47-D114 IonicContact CD2-OD2 3.81Å; H47-D114 IonicContact CE1-OD2 3.87Å; H47-D114 IonicContact NE2-OD2 2.92Å; H47-D114 PolarHBondContact NE2-OD2 2.82Å; H47-G115 CarbonylContact C-O 3.55Å; H47-G115 WeakPolarHBondContact CA-O 3.35Å; H47-L116 HydrophobicContact CB-CD1 4.22Å
48I98.8Very high98.2Very high0 Ų027.1 Ų27.10%014%0.137CC..EExtended strand (participates in β ladder)trans-137124.8-179.7-52.1169.8000106P90 D114 G115 R117 W131 F170 L172I48-P90 HydrophobicContact CD1-CB 4.13Å; I48-P90 HydrophobicContact CD1-CG 3.98Å; I48-P90 HydrophobicContact CG1-CB 3.8Å; I48-P90 HydrophobicContact CG1-CG 3.96Å; I48-D114 CarbonylContact O-C 3.49Å; I48-D114 VanDerWaalsContact O-CA 3.32Å; I48-D114 WeakPolarHBondContact O-CA 3.36Å; I48-G115 PolarHBondContact N-O 2.81Å; I48-G115 PolarHBondContact O-N 2.85Å; I48-R117 HydrophobicContact CD1-CG 3.88Å; I48-W131 HydrophobicContact CB-CH2 4.49Å; I48-W131 HydrophobicContact CD1-CH2 4.11Å; I48-W131 HydrophobicContact CD1-CZ2 4.5Å; I48-W131 HydrophobicContact CG2-CH2 4.3Å; I48-W131 HydrophobicContact CG2-CZ3 4.48Å; I48-F170 HydrophobicContact CG2-CE2 3.71Å; I48-F170 HydrophobicContact CG2-CZ 3.95Å; I48-L172 HydrophobicContact CD1-CD2 4.15Å; I48-L172 HydrophobicContact CG2-CD2 3.89Å
49E98.7Very high98.2Very high4 Ų429.2 Ų29.22%0.01915%0.147CC..  trans-136.3166.9174.363.9162.290.400111.5H47 G51 R88 R108H47-E49 IonicContact CE1-OE1 3.54Å; H47-E49 PolarHBondContact CE1-OE1 2.6Å; E49-G51 VanDerWaalsContact OE2-CA 3.31Å; E49-G51 WeakPolarHBondContact OE2-CA 3.14Å; E49-G51 PolarHBondContact OE2-N 2.84Å; E49-R88 WeakPolarHBondContact O-CA 3.46Å; E49-R88 WeakPolarHBondContact O-CG 3.16Å; E49-R88 PolarHBondContact O-N 3.36Å; E49-R108 VanDerWaalsContact CD-CZ 3.4Å; E49-R108 IonicContact OE1-CZ 2.85Å; E49-R108 VanDerWaalsContact OE1-CZ 3.23Å; E49-R108 IonicContact OE1-NH1 3.59Å; E49-R108 IonicContact OE1-NH2 2.76Å; E49-R108 PolarHBondContact OE1-NH2 2.8Å; E49-R108 IonicContact OE2-CZ 2.85Å; E49-R108 IonicContact OE2-NE 3.67Å; E49-R108 IonicContact OE2-NH1 3.58Å; E49-R108 PolarHBondContact OE2-NH1 2.79Å; E49-R108 IonicContact OE2-NH2 2.73Å; E49-R108 PolarHBondContact OE2-NH2 3.4Å
50E98.6Very high98.2Very high25 Ų2530.1 Ų30.112%0.11716%0.155CC..SBendtrans-90.9-11.7178.6-65.3-170.1-12200114.4A87 R88 E112 L113 F170 K282E50-A87 VanDerWaalsContact O-CB 3.25Å; E50-A87 WeakPolarHBondContact O-CB 3.24Å; E50-R88 HydrophobicContact CG-CG 4.28Å; E50-E112 HydrophobicContact CB-CB 4.23Å; E50-E112 HydrophobicContact CB-CG 3.84Å; E50-E112 HydrophobicContact CG-CB 4.5Å; E50-E112 HydrophobicContact CG-CG 4.35Å; E50-E112 WeakPolarHBondContact OE1-CA 3.45Å; E50-L113 PolarHBondContact OE1-N 2.85Å; E50-F170 VanDerWaalsContact CD-CD1 3.47Å; E50-F170 HydrophobicContact CG-CD1 3.54Å; E50-F170 HydrophobicContact CG-CE1 3.26Å; E50-F170 HydrophobicContact CG-CE2 4.32Å; E50-F170 HydrophobicContact CG-CG 4.16Å; E50-F170 HydrophobicContact CG-CZ 3.67Å; E50-F170 WeakPolarHBondContact OE1-CD1 3.24Å; E50-F170 WeakPolarHBondContact OE1-CE1 3.41Å; E50-K282 WeakPolarHBondContact O-CE 3.35Å; E50-K282 IonicContact OE2-NZ 3.06Å; E50-K282 PolarHBondContact OE2-NZ 3.16Å
51G98.5Very high98.3Very high2 Ų229.9 Ų29.92%0.02115%0.151CC..SBendtrans-85.5-179168.100000112.1E49 A87E49-G51 VanDerWaalsContact OE2-CA 3.31Å; E49-G51 WeakPolarHBondContact OE2-CA 3.14Å; E49-G51 PolarHBondContact OE2-N 2.84Å; G51-A87 WeakPolarHBondContact O-CA 3.1Å; G51-A87 WeakPolarHBondContact O-CB 3.32Å
52E98.8Very high98.4Very high5 Ų527.3 Ų27.32%0.02314%0.137CC..  trans-108.7158.7175.5-66.8-178.9167.200110.8L84 L85 A87 Y207 E208 T209 Q277E52-L84 HydrophobicContact CB-CD1 4.08Å; E52-L85 WeakPolarHBondContact CA-O 3.32Å; E52-L85 WeakPolarHBondContact CB-O 3.27Å; E52-A87 HydrophobicContact CG-CB 4.26Å; E52-Y207 WeakPolarHBondContact OE1-CA 3.18Å; E52-Y207 WeakPolarHBondContact OE1-CD1 3.3Å; E52-E208 VanDerWaalsContact CD-N 3.32Å; E52-E208 HydrophobicContact CG-CB 4.25Å; E52-E208 PolarHBondContact OE1-N 2.74Å; E52-E208 PolarHBondContact OE2-N 2.79Å; E52-E208 VanDerWaalsContact OE2-N 3.14Å; E52-T209 WeakPolarHBondContact CB-OG1 3.26Å; E52-T209 WeakPolarHBondContact OE2-CB 2.97Å; E52-T209 PolarHBondContact OE2-N 3.45Å; E52-T209 PolarHBondContact OE2-OG1 2.76Å; E52-Q277 PolarHBondContact O-NE2 2.63Å
53E98.9Very high98.6Very high11 Ų1123.6 Ų23.65%0.05111%0.114CC..EExtended strand (participates in β ladder)trans-126.1123.3179-72.6-179.5-129.900111.5H47 F55 L85 H91 E105H47-E53 IonicContact CE1-OE1 3.33Å; H47-E53 IonicContact ND1-OE1 3.39Å; E53-F55 HydrophobicContact CB-CD2 4.27Å; E53-F55 HydrophobicContact CB-CE2 3.49Å; E53-F55 VanDerWaalsContact CB-CE2 3.49Å; E53-F55 HydrophobicContact CB-CZ 4Å; E53-F55 WeakPolarHBondContact OE2-CZ 3.21Å; E53-L85 HydrophobicContact CB-CB 4.29Å; E53-L85 PolarHBondContact N-O 2.97Å; E53-L85 PolarHBondContact O-N 2.99Å; E53-H91 IonicContact OE1-CE1 3.86Å; E53-H91 PolarHBondContact OE1-CE1 3.21Å; E53-H91 IonicContact OE1-NE2 2.95Å; E53-H91 PolarHBondContact OE1-NE2 3.07Å; E53-H91 IonicContact OE2-NE2 3.63Å; E53-E105 HydrophobicContact CG-CB 4.11Å
54V98.9Very high98.7Very high3 Ų320.8 Ų20.82%0.01810%0.103CC..EExtended strand (participates in β ladder)trans-88.2131.5170.2-178.10000108.8I82 L84 V103 V104 T209 V211 V275V54-I82 HydrophobicContact CG1-CD1 4.23Å; V54-I82 HydrophobicContact CG1-CG1 4.25Å; V54-L84 HydrophobicContact CG2-CD1 3.96Å; V54-V103 CarbonylContact O-C 3.57Å; V54-V103 WeakPolarHBondContact O-CA 3.3Å; V54-V104 HydrophobicContact CB-CB 4.11Å; V54-V104 HydrophobicContact CG2-CB 4.46Å; V54-V104 PolarHBondContact N-O 2.86Å; V54-V104 PolarHBondContact O-N 2.82Å; V54-T209 HydrophobicContact CG2-CG2 3.6Å; V54-V211 HydrophobicContact CG2-CG2 4.07Å; V54-V275 HydrophobicContact CG2-CG1 4.44Å
55F98.9Very high98.8Very high3 Ų317.1 Ų17.11%0.0139%0.085CC..EExtended strand (participates in β ladder)trans-117.2134.9172.8-64.4-96.9000110E53 M62 L64 I77 I82 F83 L85 L102 V103E53-F55 HydrophobicContact CB-CD2 4.27Å; E53-F55 HydrophobicContact CB-CE2 3.49Å; E53-F55 VanDerWaalsContact CB-CE2 3.49Å; E53-F55 HydrophobicContact CB-CZ 4Å; E53-F55 WeakPolarHBondContact OE2-CZ 3.21Å; F55-M62 HydrophobicContact CD1-CE 4.19Å; F55-M62 HydrophobicContact CD1-SD 4.05Å; F55-M62 HydrophobicContact CE1-CE 4.3Å; F55-L64 HydrophobicContact CD2-CD2 4.29Å; F55-L64 HydrophobicContact CE1-CD1 4.26Å; F55-L64 HydrophobicContact CE2-CD2 3.84Å; F55-L64 HydrophobicContact CZ-CD1 4.03Å; F55-L64 HydrophobicContact CZ-CD2 4.02Å; F55-I77 HydrophobicContact CB-CD1 3.85Å; F55-I77 HydrophobicContact CG-CD1 4.15Å; F55-I82 CarbonylContact O-C 3.56Å; F55-I82 WeakPolarHBondContact O-CA 3.37Å; F55-I82 WeakPolarHBondContact O-CG1 3.46Å; F55-F83 HydrophobicContact CB-CB 4.4Å; F55-F83 HydrophobicContact CB-CD1 4.31Å; F55-F83 AromaticContact CD2-CD1 3.79Å; F55-F83 HydrophobicContact CD2-CD1 3.79Å; F55-F83 HydrophobicContact CD2-CE1 4.25Å; F55-F83 HydrophobicContact CG-CD1 4.35Å; F55-F83 PolarHBondContact N-O 3.06Å; F55-F83 PolarHBondContact O-N 2.82Å; F55-L85 HydrophobicContact CE2-CB 4.07Å; F55-L102 WeakPolarHBondContact CA-O 3.17Å; F55-V103 HydrophobicContact CD1-CG2 3.83Å; F55-V103 HydrophobicContact CE1-CG1 4.47Å; F55-V103 HydrophobicContact CE1-CG2 3.86Å
56Y98.9Very high98.8Very high27 Ų2716.8 Ų16.811%0.1068%0.083CC..EExtended strand (participates in β ladder)trans-140.9126168.9169.4-100.5000110.2L58 E81 I82 G101 L102 L183 W231Y56-L58 HydrophobicContact CE1-CB 4.2Å; Y56-L58 HydrophobicContact CE1-CD1 4.03Å; Y56-L58 PolarHBondContact O-N 2.8Å; Y56-E81 WeakPolarHBondContact CA-O 3.46Å; Y56-E81 WeakPolarHBondContact CD2-O 3.23Å; Y56-I82 HydrophobicContact CD2-CB 4.09Å; Y56-G101 CarbonylContact O-C 3.52Å; Y56-G101 WeakPolarHBondContact O-CA 3.39Å; Y56-L102 HydrophobicContact CD1-CB 4.34Å; Y56-L102 PolarHBondContact N-O 3.04Å; Y56-L102 PolarHBondContact O-N 2.86Å; Y56-L183 HydrophobicContact CD2-CD2 4.13Å; Y56-L183 HydrophobicContact CE2-CB 4.08Å; Y56-L183 HydrophobicContact CE2-CD2 3.7Å; Y56-W231 HydrophobicContact CD1-CH2 4.01Å; Y56-W231 AromaticContact CD1-CZ3 3.97Å; Y56-W231 HydrophobicContact CD1-CZ3 3.97Å; Y56-W231 AromaticContact CE1-CH2 3.58Å; Y56-W231 HydrophobicContact CE1-CH2 3.58Å; Y56-W231 AromaticContact CE1-CZ3 3.94Å; Y56-W231 HydrophobicContact CE1-CZ3 3.94Å
57Q98.9Very high98.8Very high1 Ų116.8 Ų16.81%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-89108179.9-79.5-63.7115.900111.3E59 G60 M62 I77 R78 G80 E81 G101Q57-E59 PolarHBondContact NE2-O 3.19Å; Q57-G60 WeakPolarHBondContact CB-O 3.38Å; Q57-G60 PolarHBondContact NE2-O 3.43Å; Q57-M62 HydrophobicContact CG-CG 3.85Å; Q57-M62 HydrophobicContact CG-SD 4.46Å; Q57-M62 PolarHBondContact OE1-SD 2.89Å; Q57-M62 VanDerWaalsContact OE1-SD 3.33Å; Q57-I77 HydrophobicContact CG-CB 4.34Å; Q57-I77 HydrophobicContact CG-CG2 3.9Å; Q57-I77 WeakPolarHBondContact CG-O 3.48Å; Q57-R78 WeakPolarHBondContact CB-O 3.4Å; Q57-G80 PolarHBondContact O-N 3.28Å; Q57-E81 PolarHBondContact N-O 2.94Å; Q57-G101 VanDerWaalsContact OE1-CA 3.28Å
58L98.7Very high98.8Very high7 Ų717.8 Ų17.84%0.0379%0.089CC..EExtended strand (participates in β ladder)trans-76.8-40.4177.1-175.367.1000111.7V11 F36 Y56 V100V11-L58 HydrophobicContact CG1-CD2 4.47Å; V11-L58 HydrophobicContact CG2-CD2 4Å; F36-L58 HydrophobicContact CE1-CD2 4.29Å; Y56-L58 HydrophobicContact CE1-CB 4.2Å; Y56-L58 HydrophobicContact CE1-CD1 4.03Å; Y56-L58 PolarHBondContact O-N 2.8Å; L58-V100 WeakPolarHBondContact CA-O 3.44Å; L58-V100 WeakPolarHBondContact CB-O 3.34Å; L58-V100 HydrophobicContact CD2-CG1 4.4Å; L58-V100 PolarHBondContact N-O 2.93Å
59E98.8Very high98.7Very high45 Ų4523.6 Ų23.621%0.2112%0.116CC..EExtended strand (participates in β ladder)trans-137.9126.4179-62.8178.7-162.500110.6R15 Q57 T99 V100R15-E59 IonicContact CZ-OE2 2.85Å; R15-E59 VanDerWaalsContact NH1-CD 3.32Å; R15-E59 IonicContact NH1-OE1 2.8Å; R15-E59 PolarHBondContact NH1-OE1 2.77Å; R15-E59 IonicContact NH1-OE2 2.76Å; R15-E59 PolarHBondContact NH1-OE2 3.47Å; R15-E59 IonicContact NH2-OE2 2.92Å; R15-E59 PolarHBondContact NH2-OE2 3.02Å; Q57-E59 PolarHBondContact NE2-O 3.19Å; E59-T99 CarbonylContact O-C 3.49Å; E59-T99 WeakPolarHBondContact O-CA 3.45Å; E59-T99 VanDerWaalsContact O-CB 3.31Å; E59-T99 WeakPolarHBondContact O-CB 3.4Å; E59-V100 HydrophobicContact CB-CB 4.14Å; E59-V100 HydrophobicContact CB-CG2 4.44Å; E59-V100 HydrophobicContact CG-CB 4.37Å; E59-V100 PolarHBondContact N-O 2.98Å; E59-V100 PolarHBondContact O-N 3.35Å
60G98.7Very high98.5Very high21 Ų2125.7 Ų25.722%0.21614%0.139CC..SBendtrans63-175.217900000114.7Q57 Q79Q57-G60 WeakPolarHBondContact CB-O 3.38Å; Q57-G60 PolarHBondContact NE2-O 3.43Å; G60-Q79 WeakPolarHBondContact O-CA 3.5Å; G60-Q79 PolarHBondContact O-N 3.46Å
61D98.9Very high98.4Very high66 Ų6631.9 Ų31.935%0.35317%0.165SC..  trans-101.1160.5-173.1-57.6-14.3000111.3I77 R78 Q79 F96D61-I77 WeakPolarHBondContact CA-O 3.4Å; D61-R78 WeakPolarHBondContact OD1-CA 3.48Å; D61-R78 WeakPolarHBondContact OD1-CB 3.41Å; D61-Q79 PolarHBondContact OD1-N 2.9Å; D61-F96 VanDerWaalsContact O-CD2 3.29Å; D61-F96 WeakPolarHBondContact O-CD2 3.35Å
62M98.9Very high98.4Very high0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-136.4166166.169.5168.9-73.600111F55 Q57 L64 I77 P93 Q94 R95F55-M62 HydrophobicContact CD1-CE 4.19Å; F55-M62 HydrophobicContact CD1-SD 4.05Å; F55-M62 HydrophobicContact CE1-CE 4.3Å; Q57-M62 HydrophobicContact CG-CG 3.85Å; Q57-M62 HydrophobicContact CG-SD 4.46Å; Q57-M62 PolarHBondContact OE1-SD 2.89Å; Q57-M62 VanDerWaalsContact OE1-SD 3.33Å; M62-L64 HydrophobicContact CE-CB 4.19Å; M62-L64 HydrophobicContact CE-CD1 4.34Å; M62-I77 HydrophobicContact CE-CD1 4.5Å; M62-I77 HydrophobicContact CG-CB 3.89Å; M62-I77 HydrophobicContact CG-CD1 4.27Å; M62-I77 HydrophobicContact CG-CG1 4.45Å; M62-I77 PolarHBondContact N-O 3.4Å; M62-I77 PolarHBondContact O-N 2.91Å; M62-I77 HydrophobicContact SD-CD1 4.18Å; M62-P93 HydrophobicContact CE-CB 3.84Å; M62-Q94 WeakPolarHBondContact CB-O 3.27Å; M62-R95 HydrophobicContact CB-CG 4.39Å; M62-R95 PolarHBondContact SD-NH2 3.33Å
63V98.9Very high98.4Very high21 Ų2137 Ų3713%0.12719%0.186CC..EExtended strand (participates in β ladder)trans-119.6122.7169.3-179.30000108.8R65 D74 V75 V76 Q94 F96V63-R65 HydrophobicContact CG1-CG 4.39Å; V63-D74 HydrophobicContact CG1-CB 3.72Å; V63-V75 CarbonylContact C-O 3.58Å; V63-V75 WeakPolarHBondContact CA-O 3.46Å; V63-V76 HydrophobicContact CG2-CG2 4.28Å; V63-Q94 HydrophobicContact CB-CB 4.19Å; V63-Q94 HydrophobicContact CB-CG 4.44Å; V63-Q94 PolarHBondContact N-O 2.97Å; V63-Q94 WeakPolarHBondContact O-CA 3.47Å; V63-Q94 VanDerWaalsContact O-CB 3.31Å; V63-Q94 WeakPolarHBondContact O-CB 3.27Å; V63-Q94 WeakPolarHBondContact O-CG 3.46Å; V63-Q94 PolarHBondContact O-N 2.98Å; V63-F96 HydrophobicContact CG2-CE2 4.18Å; V63-F96 HydrophobicContact CG2-CZ 3.96Å
64L98.9Very high98.4Very high0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans-98.2104.8169.7-172.267.4000108.4F55 M62 V66 V75 I77 F83 L85 H91 P93F55-L64 HydrophobicContact CD2-CD2 4.29Å; F55-L64 HydrophobicContact CE1-CD1 4.26Å; F55-L64 HydrophobicContact CE2-CD2 3.84Å; F55-L64 HydrophobicContact CZ-CD1 4.03Å; F55-L64 HydrophobicContact CZ-CD2 4.02Å; M62-L64 HydrophobicContact CE-CB 4.19Å; M62-L64 HydrophobicContact CE-CD1 4.34Å; L64-V66 HydrophobicContact CD2-CG1 4.14Å; L64-V66 HydrophobicContact CG-CG1 4Å; L64-V75 HydrophobicContact CB-CB 4.37Å; L64-V75 PolarHBondContact N-O 3.22Å; L64-V75 WeakPolarHBondContact O-CB 3.2Å; L64-V75 PolarHBondContact O-N 3.49Å; L64-I77 HydrophobicContact CB-CD1 4.18Å; L64-F83 HydrophobicContact CD2-CD1 4.19Å; L64-F83 HydrophobicContact CD2-CE1 3.55Å; L64-F83 HydrophobicContact CD2-CZ 4.39Å; L64-L85 HydrophobicContact CD2-CD1 4.13Å; L64-L85 HydrophobicContact CD2-CD2 4.46Å; L64-H91 HydrophobicContact CD1-CB 4Å; L64-H91 HydrophobicContact CD2-CB 4.5Å; L64-H91 HydrophobicContact CG-CB 4.26Å; L64-P93 HydrophobicContact CD1-CB 3.91Å
65R98.8Very high98.4Very high91 Ų9140.5 Ų40.534%0.34321%0.205SC..EExtended strand (participates in β ladder)trans-76.1130173.5-46.7-168.6169.9-158.4-6.6108.2Y46 V63 R73 D74 H91 S92 Q94Y46-R65 HydrophobicContact CE1-CB 4.34Å; Y46-R65 WeakPolarHBondContact OH-CB 3.5Å; V63-R65 HydrophobicContact CG1-CG 4.39Å; R65-R73 CarbonylContact C-O 3.53Å; R65-R73 WeakPolarHBondContact CA-O 3.48Å; R65-D74 VanDerWaalsContact CG-OD1 3.27Å; R65-D74 WeakPolarHBondContact CG-OD1 3.31Å; R65-D74 IonicContact NE-OD1 2.75Å; R65-H91 CarbonylContact O-C 3.5Å; R65-H91 VanDerWaalsContact O-CA 3.22Å; R65-H91 WeakPolarHBondContact O-CA 3.49Å; R65-S92 PolarHBondContact N-O 2.85Å; R65-S92 PolarHBondContact O-N 3.29Å; R65-Q94 HydrophobicContact CG-CG 3.84Å
66V98.8Very high98.4Very high0 Ų043.1 Ų43.10%022%0.221CC..EExtended strand (participates in β ladder)trans-126157.1179.6-60.60000110.7L64 E68 H72 R73 V75 L85 V89 P90 H91 I177L64-V66 HydrophobicContact CD2-CG1 4.14Å; L64-V66 HydrophobicContact CG-CG1 4Å; V66-E68 HydrophobicContact CG2-CB 4.19Å; V66-H72 WeakPolarHBondContact O-CA 3.41Å; V66-R73 HydrophobicContact CG2-CB 3.98Å; V66-R73 HydrophobicContact CG2-CG 4.41Å; V66-R73 WeakPolarHBondContact CG2-O 3.41Å; V66-R73 PolarHBondContact N-O 2.89Å; V66-R73 PolarHBondContact O-N 3.21Å; V66-V75 HydrophobicContact CG1-CG2 4.49Å; V66-V75 HydrophobicContact CG2-CG2 4.04Å; V66-L85 HydrophobicContact CG1-CD1 3.98Å; V66-V89 HydrophobicContact CB-CG1 4Å; V66-V89 HydrophobicContact CG1-CG1 4.24Å; V66-P90 CarbonylContact C-O 3.51Å; V66-P90 VanDerWaalsContact CA-O 3.3Å; V66-P90 WeakPolarHBondContact CA-O 3.49Å; V66-H91 HydrophobicContact CG1-CB 4.04Å; V66-I177 HydrophobicContact CG2-CG1 4.36Å
67L98.4Very high98.4Very high10 Ų1041.8 Ų41.85%0.05222%0.216CC..EExtended strand (participates in β ladder)trans-99.893162.2-66.6-178.2000109.4Y46 K71 H72 P90 Y119 M124Y46-L67 HydrophobicContact CD1-CG 4.18Å; Y46-L67 HydrophobicContact CE1-CD2 4.39Å; Y46-L67 HydrophobicContact CE1-CG 3.91Å; L67-K71 CarbonylContact C-O 3.57Å; L67-K71 WeakPolarHBondContact CA-O 3.21Å; L67-H72 HydrophobicContact CD2-CB 4.27Å; L67-H72 VanDerWaalsContact CD2-CE1 3.44Å; L67-H72 WeakPolarHBondContact CD2-CE1 3.38Å; L67-H72 WeakPolarHBondContact CD2-ND1 3.24Å; L67-P90 HydrophobicContact CB-CB 4.04Å; L67-P90 HydrophobicContact CB-CG 4.04Å; L67-P90 HydrophobicContact CD1-CB 4.03Å; L67-P90 HydrophobicContact CD1-CG 4.22Å; L67-P90 HydrophobicContact CG-CB 4.21Å; L67-P90 PolarHBondContact N-O 3.35Å; L67-Y119 HydrophobicContact CD1-CD1 4.38Å; L67-Y119 HydrophobicContact CD1-CD2 4.17Å; L67-Y119 HydrophobicContact CD1-CE1 3.67Å; L67-Y119 HydrophobicContact CD1-CE2 3.43Å; L67-Y119 VanDerWaalsContact CD1-CE2 3.43Å; L67-Y119 WeakPolarHBondContact CD1-OH 3.21Å; L67-M124 HydrophobicContact CB-CE 4.18Å; L67-M124 HydrophobicContact CD1-CE 3.61Å; L67-M124 HydrophobicContact CD2-CE 3.44Å; L67-M124 VanDerWaalsContact CD2-CE 3.44Å; L67-M124 HydrophobicContact CD2-SD 3.72Å; L67-M124 HydrophobicContact CG-CE 3.92Å
68E98.3Very high98.4Very high32 Ų3247.8 Ų47.815%0.1524%0.238CC..EExtended strand (participates in β ladder)trans-94.9121.3178.4175.4-176-130.800109.1V66 G70 K71 R73 S176 I177V66-E68 HydrophobicContact CG2-CB 4.19Å; E68-G70 PolarHBondContact O-N 2.91Å; E68-K71 PolarHBondContact N-O 3.28Å; E68-K71 PolarHBondContact O-N 3.36Å; E68-R73 WeakPolarHBondContact OE2-CD 3.46Å; E68-R73 IonicContact OE2-NE 2.78Å; E68-S176 VanDerWaalsContact OE1-CA 3.28Å; E68-S176 WeakPolarHBondContact OE1-CA 3.49Å; E68-I177 HydrophobicContact CB-CG1 4.05Å; E68-I177 HydrophobicContact CG-CG1 3.97Å; E68-I177 PolarHBondContact OE1-N 2.92Å
69Q96.8Very high98.4Very high121 Ų12153.1 Ų53.157%0.56526%0.263SS*.THydrogen-bonded Turntrans50.838.9173.3-61.8-177.9-23.400113.6T174Q69-T174 WeakPolarHBondContact CG-O 3.42Å; Q69-T174 PolarHBondContact NE2-O 2.77Å
70G94.9Very high98.4Very high49 Ų4952 Ų5251%0.50526%0.263SS..THydrogen-bonded Turntrans76.419.3-179.600000114.9E68 M124E68-G70 PolarHBondContact O-N 2.91Å; G70-M124 WeakPolarHBondContact O-CG 3.44Å
71K97.7Very high98.4Very high154 Ų15452.3 Ų52.367%0.6726%0.259SS*.EExtended strand (participates in β ladder)trans-132.5143.2177.7-63.4179.6-178.2174.20111.4L67 E68 R73L67-K71 CarbonylContact C-O 3.57Å; L67-K71 WeakPolarHBondContact CA-O 3.21Å; E68-K71 PolarHBondContact N-O 3.28Å; E68-K71 PolarHBondContact O-N 3.36Å; K71-R73 PolarHBondContact O-N 2.96Å
72H98.2Very high98.4Very high55 Ų5549.5 Ų49.526%0.25524%0.244SC..EExtended strand (participates in β ladder)trans-66.6131167.6-70.6-96.5000110Y46 V66 L67 D122 T123 M124Y46-H72 AromaticContact CZ-CE1 3.99Å; Y46-H72 AromaticContact CZ-ND1 3.86Å; Y46-H72 PolarHBondContact OH-ND1 2.8Å; V66-H72 WeakPolarHBondContact O-CA 3.41Å; L67-H72 HydrophobicContact CD2-CB 4.27Å; L67-H72 VanDerWaalsContact CD2-CE1 3.44Å; L67-H72 WeakPolarHBondContact CD2-CE1 3.38Å; L67-H72 WeakPolarHBondContact CD2-ND1 3.24Å; H72-D122 PolarHBondContact CD2-O 2.94Å; H72-T123 PolarHBondContact NE2-O 3.43Å; H72-M124 PolarHBondContact CD2-SD 2.85Å
73R98.3Very high98.4Very high61 Ų6149.5 Ų49.523%0.2324%0.244CC..EExtended strand (participates in β ladder)trans-137.4134.9172.1172.7-177.3147.1116.56.6108.9R65 V66 E68 K71 V75 E179R65-R73 CarbonylContact C-O 3.53Å; R65-R73 WeakPolarHBondContact CA-O 3.48Å; V66-R73 HydrophobicContact CG2-CB 3.98Å; V66-R73 HydrophobicContact CG2-CG 4.41Å; V66-R73 WeakPolarHBondContact CG2-O 3.41Å; V66-R73 PolarHBondContact N-O 2.89Å; V66-R73 PolarHBondContact O-N 3.21Å; E68-R73 WeakPolarHBondContact OE2-CD 3.46Å; E68-R73 IonicContact OE2-NE 2.78Å; K71-R73 PolarHBondContact O-N 2.96Å; R73-V75 HydrophobicContact CG-CG2 4.41Å; R73-E179 IonicContact CZ-OE1 3.15Å; R73-E179 VanDerWaalsContact CZ-OE1 3.26Å; R73-E179 IonicContact NH1-OE1 3.44Å; R73-E179 PolarHBondContact NH1-OE1 2.58Å; R73-E179 IonicContact NH2-OE1 3.34Å; R73-E179 PolarHBondContact NH2-OE1 3.32Å; R73-E179 IonicContact NH2-OE2 3.52Å; R73-E179 PolarHBondContact NH2-OE2 2.67Å; R73-E179 VanDerWaalsContact NH2-OE2 3.12Å
74D98.8Very high98.4Very high86 Ų8648.5 Ų48.546%0.4624%0.238SC..EExtended strand (participates in β ladder)trans-95116.7173.1-77.93.8000109V63 R65V63-D74 HydrophobicContact CG1-CB 3.72Å; R65-D74 VanDerWaalsContact CG-OD1 3.27Å; R65-D74 WeakPolarHBondContact CG-OD1 3.31Å; R65-D74 IonicContact NE-OD1 2.75Å
75V98.9Very high98.4Very high1 Ų148.7 Ų48.71%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-96.6107.9174.4-176.50000108.4V63 L64 V66 R73 I77 F83 I177 P180V63-V75 CarbonylContact C-O 3.58Å; V63-V75 WeakPolarHBondContact CA-O 3.46Å; L64-V75 HydrophobicContact CB-CB 4.37Å; L64-V75 PolarHBondContact N-O 3.22Å; L64-V75 WeakPolarHBondContact O-CB 3.2Å; L64-V75 PolarHBondContact O-N 3.49Å; V66-V75 HydrophobicContact CG1-CG2 4.49Å; V66-V75 HydrophobicContact CG2-CG2 4.04Å; R73-V75 HydrophobicContact CG-CG2 4.41Å; V75-I77 HydrophobicContact CG1-CG1 4.2Å; V75-I77 PolarHBondContact O-N 3.35Å; V75-F83 HydrophobicContact CG1-CD2 4.31Å; V75-F83 HydrophobicContact CG1-CE2 4.13Å; V75-F83 HydrophobicContact CG1-CZ 4.44Å; V75-I177 HydrophobicContact CG2-CG2 4.34Å; V75-P180 HydrophobicContact CG1-CG 3.51Å
76V98.9Very high98.4Very high57 Ų5744.5 Ų44.535%0.34522%0.223SC..EExtended strand (participates in β ladder)trans-80.6117.9175-1770000108.4V63 R78 P180V63-V76 HydrophobicContact CG2-CG2 4.28Å; V76-R78 HydrophobicContact CG1-CG 4.07Å; V76-P180 WeakPolarHBondContact O-CG 3.43Å
77I98.9Very high98.4Very high0 Ų045.2 Ų45.20%023%0.23CC..EExtended strand (participates in β ladder)trans-108.3108175.1-50.7169.8000106.5F55 Q57 D61 M62 L64 V75 E81 F83 P180F55-I77 HydrophobicContact CB-CD1 3.85Å; F55-I77 HydrophobicContact CG-CD1 4.15Å; Q57-I77 HydrophobicContact CG-CB 4.34Å; Q57-I77 HydrophobicContact CG-CG2 3.9Å; Q57-I77 WeakPolarHBondContact CG-O 3.48Å; D61-I77 WeakPolarHBondContact CA-O 3.4Å; M62-I77 HydrophobicContact CE-CD1 4.5Å; M62-I77 HydrophobicContact CG-CB 3.89Å; M62-I77 HydrophobicContact CG-CD1 4.27Å; M62-I77 HydrophobicContact CG-CG1 4.45Å; M62-I77 PolarHBondContact N-O 3.4Å; M62-I77 PolarHBondContact O-N 2.91Å; M62-I77 HydrophobicContact SD-CD1 4.18Å; L64-I77 HydrophobicContact CB-CD1 4.18Å; V75-I77 HydrophobicContact CG1-CG1 4.2Å; V75-I77 PolarHBondContact O-N 3.35Å; I77-E81 HydrophobicContact CG2-CB 4.11Å; I77-F83 HydrophobicContact CD1-CB 3.98Å; I77-F83 HydrophobicContact CD1-CD1 3.79Å; I77-F83 HydrophobicContact CD1-CG 4.05Å; I77-F83 HydrophobicContact CG1-CB 4.24Å; I77-F83 HydrophobicContact CG1-CG 4.43Å; I77-F83 HydrophobicContact CG2-CB 4.49Å; I77-P180 HydrophobicContact CB-CG 4.43Å; I77-P180 HydrophobicContact CG1-CB 4.41Å; I77-P180 HydrophobicContact CG1-CG 3.81Å; I77-P180 HydrophobicContact CG2-CB 4.39Å
78R98.9Very high98.4Very high126 Ų12646 Ų4648%0.47523%0.232SC..  trans-84.4162.8-177.1-59.2-175.8177.776.95.1112Q57 D61 V76 G80 E81Q57-R78 WeakPolarHBondContact CB-O 3.4Å; D61-R78 WeakPolarHBondContact OD1-CA 3.48Å; D61-R78 WeakPolarHBondContact OD1-CB 3.41Å; V76-R78 HydrophobicContact CG1-CG 4.07Å; R78-G80 PolarHBondContact O-N 2.76Å; R78-E81 HydrophobicContact CB-CG 4.06Å; R78-E81 WeakPolarHBondContact CB-OE2 3.28Å; R78-E81 PolarHBondContact N-OE2 3.04Å; R78-E81 IonicContact NH1-OE1 3.67Å; R78-E81 VanDerWaalsContact O-CB 3.27Å; R78-E81 WeakPolarHBondContact O-CB 3.3Å; R78-E81 PolarHBondContact O-N 3.1Å
79Q98.9Very high98.4Very high120 Ų12044.7 Ų44.756%0.56123%0.226SC*.THydrogen-bonded Turntrans-49.8129.8171.9-171.2179.7-72.800111.7G60 D61 E81G60-Q79 WeakPolarHBondContact O-CA 3.5Å; G60-Q79 PolarHBondContact O-N 3.46Å; D61-Q79 PolarHBondContact OD1-N 2.9Å; Q79-E81 PolarHBondContact O-N 3.29Å
80G98.8Very high98.5Very high20 Ų2039 Ų3921%0.20620%0.2CC..THydrogen-bonded Turntrans80.6-5.3-177.600000114.6Q57 R78 L183Q57-G80 PolarHBondContact O-N 3.28Å; R78-G80 PolarHBondContact O-N 2.76Å; G80-L183 WeakPolarHBondContact O-CB 3.1Å; G80-L183 PolarHBondContact O-N 3.04Å
81E98.9Very high98.7Very high29 Ų2936.9 Ų36.914%0.13618%0.176CC..EExtended strand (participates in β ladder)trans-83.7141.9173.3-62.8178.4167.700111.3Y56 Q57 I77 R78 Q79 P180 M181Y56-E81 WeakPolarHBondContact CA-O 3.46Å; Y56-E81 WeakPolarHBondContact CD2-O 3.23Å; Q57-E81 PolarHBondContact N-O 2.94Å; I77-E81 HydrophobicContact CG2-CB 4.11Å; R78-E81 HydrophobicContact CB-CG 4.06Å; R78-E81 WeakPolarHBondContact CB-OE2 3.28Å; R78-E81 PolarHBondContact N-OE2 3.04Å; R78-E81 IonicContact NH1-OE1 3.67Å; R78-E81 VanDerWaalsContact O-CB 3.27Å; R78-E81 WeakPolarHBondContact O-CB 3.3Å; R78-E81 PolarHBondContact O-N 3.1Å; Q79-E81 PolarHBondContact O-N 3.29Å; E81-P180 HydrophobicContact CB-CB 4.04Å; E81-P180 WeakPolarHBondContact OE2-CB 3.39Å; E81-M181 CarbonylContact C-O 3.43Å; E81-M181 WeakPolarHBondContact CA-O 3.43Å
82I98.9Very high98.8Very high6 Ų629.6 Ų29.63%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-111.8144.8170.6-163.4174.9000109.7V54 F55 Y56 M181 L183 L202 F203 V211V54-I82 HydrophobicContact CG1-CD1 4.23Å; V54-I82 HydrophobicContact CG1-CG1 4.25Å; F55-I82 CarbonylContact O-C 3.56Å; F55-I82 WeakPolarHBondContact O-CA 3.37Å; F55-I82 WeakPolarHBondContact O-CG1 3.46Å; Y56-I82 HydrophobicContact CD2-CB 4.09Å; I82-M181 HydrophobicContact CG2-CE 3.88Å; I82-M181 HydrophobicContact CG2-CG 3.91Å; I82-M181 PolarHBondContact N-O 2.82Å; I82-M181 PolarHBondContact O-N 3.35Å; I82-M181 VanDerWaalsContact O-N 3.08Å; I82-L183 HydrophobicContact CG2-CB 4.35Å; I82-L183 HydrophobicContact CG2-CD1 4.37Å; I82-L202 HydrophobicContact CD1-CD2 4.04Å; I82-L202 HydrophobicContact CG2-CD2 4.19Å; I82-F203 HydrophobicContact CD1-CE2 4.36Å; I82-F203 HydrophobicContact CD1-CZ 4.08Å; I82-F203 HydrophobicContact CG1-CZ 4.01Å; I82-F203 HydrophobicContact CG2-CZ 4.13Å; I82-V211 HydrophobicContact CD1-CG1 4.29Å
83F98.9Very high98.8Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-147.4143.6-176.7170.5-98.7000110.3F55 L64 V75 I77 L85 I177 M178 P180F55-F83 HydrophobicContact CB-CB 4.4Å; F55-F83 HydrophobicContact CB-CD1 4.31Å; F55-F83 AromaticContact CD2-CD1 3.79Å; F55-F83 HydrophobicContact CD2-CD1 3.79Å; F55-F83 HydrophobicContact CD2-CE1 4.25Å; F55-F83 HydrophobicContact CG-CD1 4.35Å; F55-F83 PolarHBondContact N-O 3.06Å; F55-F83 PolarHBondContact O-N 2.82Å; L64-F83 HydrophobicContact CD2-CD1 4.19Å; L64-F83 HydrophobicContact CD2-CE1 3.55Å; L64-F83 HydrophobicContact CD2-CZ 4.39Å; V75-F83 HydrophobicContact CG1-CD2 4.31Å; V75-F83 HydrophobicContact CG1-CE2 4.13Å; V75-F83 HydrophobicContact CG1-CZ 4.44Å; I77-F83 HydrophobicContact CD1-CB 3.98Å; I77-F83 HydrophobicContact CD1-CD1 3.79Å; I77-F83 HydrophobicContact CD1-CG 4.05Å; I77-F83 HydrophobicContact CG1-CB 4.24Å; I77-F83 HydrophobicContact CG1-CG 4.43Å; I77-F83 HydrophobicContact CG2-CB 4.49Å; F83-L85 HydrophobicContact CE1-CB 3.88Å; F83-L85 HydrophobicContact CE1-CD1 3.96Å; F83-L85 HydrophobicContact CZ-CB 4.46Å; F83-L85 HydrophobicContact CZ-CD1 3.98Å; F83-I177 HydrophobicContact CE2-CG2 3.53Å; F83-I177 HydrophobicContact CZ-CG2 3.39Å; F83-M178 HydrophobicContact CD2-CG 3.69Å; F83-M178 HydrophobicContact CD2-SD 4.39Å; F83-M178 HydrophobicContact CE2-CG 3.6Å; F83-M178 WeakPolarHBondContact CE2-O 3.19Å; F83-P180 HydrophobicContact CB-CB 4.16Å; F83-P180 HydrophobicContact CB-CG 4.15Å; F83-P180 HydrophobicContact CD2-CG 3.89Å; F83-P180 HydrophobicContact CG-CG 4.24Å
84L98.9Very high98.8Very high0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-120.6121.7176.2173.761.8000110.2E52 V54 P86 M178 F203 Y207 T209E52-L84 HydrophobicContact CB-CD1 4.08Å; V54-L84 HydrophobicContact CG2-CD1 3.96Å; L84-P86 WeakPolarHBondContact O-CD 3.42Å; L84-M178 HydrophobicContact CB-CE 3.84Å; L84-M178 HydrophobicContact CB-SD 4.11Å; L84-M178 HydrophobicContact CG-CE 4.44Å; L84-F203 HydrophobicContact CB-CD1 4.15Å; L84-F203 HydrophobicContact CB-CD2 3.9Å; L84-F203 HydrophobicContact CB-CE1 4.11Å; L84-F203 HydrophobicContact CB-CE2 3.84Å; L84-F203 HydrophobicContact CB-CG 4.05Å; L84-F203 HydrophobicContact CB-CZ 3.95Å; L84-F203 HydrophobicContact CD2-CB 3.8Å; L84-F203 HydrophobicContact CD2-CD2 3.58Å; L84-F203 HydrophobicContact CD2-CE2 4.28Å; L84-F203 HydrophobicContact CD2-CG 3.73Å; L84-F203 HydrophobicContact CG-CD2 4.35Å; L84-Y207 HydrophobicContact CD2-CD1 3.64Å; L84-Y207 HydrophobicContact CD2-CD2 3.98Å; L84-Y207 HydrophobicContact CD2-CE1 4.3Å; L84-Y207 HydrophobicContact CD2-CG 3.46Å; L84-Y207 VanDerWaalsContact CD2-CG 3.46Å; L84-Y207 HydrophobicContact CG-CD1 4.09Å; L84-Y207 HydrophobicContact CG-CE1 4.47Å; L84-Y207 HydrophobicContact CG-CG 4.4Å; L84-T209 HydrophobicContact CD1-CG2 4.18Å
85L98.9Very high98.8Very high4 Ų422 Ų222%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-89.3119.7174.5-168.172.1000110.2E52 E53 F55 L64 V66 F83 V89 H91 I177E52-L85 WeakPolarHBondContact CA-O 3.32Å; E52-L85 WeakPolarHBondContact CB-O 3.27Å; E53-L85 HydrophobicContact CB-CB 4.29Å; E53-L85 PolarHBondContact N-O 2.97Å; E53-L85 PolarHBondContact O-N 2.99Å; F55-L85 HydrophobicContact CE2-CB 4.07Å; L64-L85 HydrophobicContact CD2-CD1 4.13Å; L64-L85 HydrophobicContact CD2-CD2 4.46Å; V66-L85 HydrophobicContact CG1-CD1 3.98Å; F83-L85 HydrophobicContact CE1-CB 3.88Å; F83-L85 HydrophobicContact CE1-CD1 3.96Å; F83-L85 HydrophobicContact CZ-CB 4.46Å; F83-L85 HydrophobicContact CZ-CD1 3.98Å; L85-V89 HydrophobicContact CD1-CB 3.99Å; L85-V89 HydrophobicContact CD1-CG1 3.86Å; L85-V89 HydrophobicContact CD1-CG2 4.44Å; L85-V89 HydrophobicContact CD2-CB 4.4Å; L85-V89 HydrophobicContact CG-CB 4.16Å; L85-H91 HydrophobicContact CD2-CB 3.67Å; L85-H91 WeakPolarHBondContact CD2-ND1 3.34Å; L85-I177 HydrophobicContact CD1-CD1 4.45Å
86P98.6Very high98.8Very high3 Ų326.7 Ų26.72%0.01913%0.131CC..PPolyproline II helixtrans-66.4157173.212.4-12.6000112.2L84 V89 I177 Y207L84-P86 WeakPolarHBondContact O-CD 3.42Å; P86-V89 HydrophobicContact CG-CG2 4.09Å; P86-V89 VanDerWaalsContact O-CG2 3.27Å; P86-V89 WeakPolarHBondContact O-CG2 3.2Å; P86-I177 HydrophobicContact CG-CD1 3.82Å; P86-Y207 HydrophobicContact CB-CD1 4.25Å; P86-Y207 HydrophobicContact CB-CE1 3.86Å; P86-Y207 HydrophobicContact CG-CE1 3.97Å
87A98.6Very high98.7Very high16 Ų1626.4 Ų26.413%0.13214%0.135CC..THydrogen-bonded Turntrans-56.2146.6-179.300000113.3E50 G51 E52 V89 S173E50-A87 VanDerWaalsContact O-CB 3.25Å; E50-A87 WeakPolarHBondContact O-CB 3.24Å; G51-A87 WeakPolarHBondContact O-CA 3.1Å; G51-A87 WeakPolarHBondContact O-CB 3.32Å; E52-A87 HydrophobicContact CG-CB 4.26Å; A87-V89 PolarHBondContact O-N 2.79Å; A87-S173 WeakPolarHBondContact O-CB 3.44Å
88R98.6Very high98.6Very high27 Ų2733 Ų3310%0.10217%0.171CC..THydrogen-bonded Turntrans64.723.3171.3-53.4171.6-79.7-180-6.4114.4E49 E50 F170 P171 S173 L285E49-R88 WeakPolarHBondContact O-CA 3.46Å; E49-R88 WeakPolarHBondContact O-CG 3.16Å; E49-R88 PolarHBondContact O-N 3.36Å; E50-R88 HydrophobicContact CG-CG 4.28Å; R88-F170 HydrophobicContact CB-CD2 4.04Å; R88-F170 HydrophobicContact CB-CE2 3.85Å; R88-F170 HydrophobicContact CG-CD2 3.57Å; R88-F170 HydrophobicContact CG-CE2 3.48Å; R88-F170 VanDerWaalsContact CG-CE2 3.48Å; R88-F170 HydrophobicContact CG-CG 4.4Å; R88-F170 HydrophobicContact CG-CZ 4.23Å; R88-P171 WeakPolarHBondContact CD-O 3.35Å; R88-S173 PolarHBondContact O-N 2.68Å; R88-L285 VanDerWaalsContact NH1-CD1 3.26Å; R88-L285 VanDerWaalsContact NH2-CD2 3.29Å; R88-L285 VanDerWaalsContact NH2-CG 3.34Å
89V98.7Very high98.6Very high4 Ų427.4 Ų27.42%0.02415%0.15CC..  trans-89.2118.7168.1-179.70000108.2V66 L85 P86 A87 H91 I177V66-V89 HydrophobicContact CB-CG1 4Å; V66-V89 HydrophobicContact CG1-CG1 4.24Å; L85-V89 HydrophobicContact CD1-CB 3.99Å; L85-V89 HydrophobicContact CD1-CG1 3.86Å; L85-V89 HydrophobicContact CD1-CG2 4.44Å; L85-V89 HydrophobicContact CD2-CB 4.4Å; L85-V89 HydrophobicContact CG-CB 4.16Å; P86-V89 HydrophobicContact CG-CG2 4.09Å; P86-V89 VanDerWaalsContact O-CG2 3.27Å; P86-V89 WeakPolarHBondContact O-CG2 3.2Å; A87-V89 PolarHBondContact O-N 2.79Å; V89-H91 PolarHBondContact O-N 2.92Å; V89-H91 PolarHBondContact O-ND1 3.43Å; V89-I177 HydrophobicContact CB-CD1 4.44Å; V89-I177 HydrophobicContact CG1-CD1 4.01Å; V89-I177 HydrophobicContact CG2-CD1 3.65Å
90P98.8Very high98.6Very high2 Ų221.7 Ų21.71%0.01312%0.123CC..  trans-60.7126.8170-18.430.5000109.9Y46 H47 I48 V66 L67 L172Y46-P90 HydrophobicContact CD1-CB 3.9Å; Y46-P90 HydrophobicContact CG-CB 4.42Å; H47-P90 WeakPolarHBondContact O-CA 3.29Å; I48-P90 HydrophobicContact CD1-CB 4.13Å; I48-P90 HydrophobicContact CD1-CG 3.98Å; I48-P90 HydrophobicContact CG1-CB 3.8Å; I48-P90 HydrophobicContact CG1-CG 3.96Å; V66-P90 CarbonylContact C-O 3.51Å; V66-P90 VanDerWaalsContact CA-O 3.3Å; V66-P90 WeakPolarHBondContact CA-O 3.49Å; L67-P90 HydrophobicContact CB-CB 4.04Å; L67-P90 HydrophobicContact CB-CG 4.04Å; L67-P90 HydrophobicContact CD1-CB 4.03Å; L67-P90 HydrophobicContact CD1-CG 4.22Å; L67-P90 HydrophobicContact CG-CB 4.21Å; L67-P90 PolarHBondContact N-O 3.35Å; P90-L172 HydrophobicContact CG-CD1 4Å; P90-L172 HydrophobicContact CG-CD2 4.36Å
91H98.8Very high98.6Very high4 Ų420.7 Ų20.72%0.01911%0.114CC..EExtended strand (participates in β ladder)trans-140.7146.6-17765.2-86.2000112.7Y46 H47 E53 L64 R65 V66 L85 V89Y46-H91 CarbonylContact C-O 3.52Å; Y46-H91 VanDerWaalsContact CA-O 3.26Å; Y46-H91 WeakPolarHBondContact CA-O 3.47Å; H47-H91 AromaticContact CG-CE1 3.88Å; H47-H91 AromaticContact CG-NE2 3.87Å; H47-H91 PolarHBondContact N-O 3.45Å; H47-H91 AromaticContact ND1-CE1 3.46Å; H47-H91 PolarHBondContact ND1-CE1 3.38Å; H47-H91 AromaticContact ND1-NE2 3.35Å; H47-H91 PolarHBondContact ND1-NE2 3.43Å; H47-H91 PolarHBondContact O-CE1 3.02Å; H47-H91 PolarHBondContact O-N 2.93Å; H47-H91 PolarHBondContact O-ND1 2.93Å; H47-H91 VanDerWaalsContact O-ND1 3.11Å; E53-H91 IonicContact OE1-CE1 3.86Å; E53-H91 PolarHBondContact OE1-CE1 3.21Å; E53-H91 IonicContact OE1-NE2 2.95Å; E53-H91 PolarHBondContact OE1-NE2 3.07Å; E53-H91 IonicContact OE2-NE2 3.63Å; L64-H91 HydrophobicContact CD1-CB 4Å; L64-H91 HydrophobicContact CD2-CB 4.5Å; L64-H91 HydrophobicContact CG-CB 4.26Å; R65-H91 CarbonylContact O-C 3.5Å; R65-H91 VanDerWaalsContact O-CA 3.22Å; R65-H91 WeakPolarHBondContact O-CA 3.49Å; V66-H91 HydrophobicContact CG1-CB 4.04Å; L85-H91 HydrophobicContact CD2-CB 3.67Å; L85-H91 WeakPolarHBondContact CD2-ND1 3.34Å; V89-H91 PolarHBondContact O-N 2.92Å; V89-H91 PolarHBondContact O-ND1 3.43Å
92S98.7Very high98.6Very high1 Ų119.6 Ų19.61%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-135.297.7-176.3-169.20000109.9R43 D45 R65 Q94R43-S92 PolarHBondContact O-OG 3.31Å; D45-S92 WeakPolarHBondContact O-CB 3.49Å; D45-S92 PolarHBondContact O-OG 2.84Å; R65-S92 PolarHBondContact N-O 2.85Å; R65-S92 PolarHBondContact O-N 3.29Å; S92-Q94 PolarHBondContact O-NE2 3.36Å; S92-Q94 PolarHBondContact OG-NE2 3.25Å
93P98.6Very high98.6Very high25 Ų2519.6 Ų19.616%0.16211%0.109CC..EExtended strand (participates in β ladder)trans-73.6131.4-176.328-33.1000111.6M62 L64M62-P93 HydrophobicContact CE-CB 3.84Å; L64-P93 HydrophobicContact CD1-CB 3.91Å
94Q98.8Very high98.6Very high11 Ų1119.6 Ų19.65%0.05111%0.109CC..EExtended strand (participates in β ladder)trans-115.9114.1176.9-43.6-59.6-46.100108.6T42 R43 M62 V63 R65 S92T42-Q94 VanDerWaalsContact CA-OE1 3.27Å; R43-Q94 PolarHBondContact O-NE2 3.22Å; R43-Q94 PolarHBondContact O-OE1 3.08Å; M62-Q94 WeakPolarHBondContact CB-O 3.27Å; V63-Q94 HydrophobicContact CB-CB 4.19Å; V63-Q94 HydrophobicContact CB-CG 4.44Å; V63-Q94 PolarHBondContact N-O 2.97Å; V63-Q94 WeakPolarHBondContact O-CA 3.47Å; V63-Q94 VanDerWaalsContact O-CB 3.31Å; V63-Q94 WeakPolarHBondContact O-CB 3.27Å; V63-Q94 WeakPolarHBondContact O-CG 3.46Å; V63-Q94 PolarHBondContact O-N 2.98Å; R65-Q94 HydrophobicContact CG-CG 3.84Å; S92-Q94 PolarHBondContact O-NE2 3.36Å; S92-Q94 PolarHBondContact OG-NE2 3.25Å
95R98.6Very high98.6Very high7 Ų720 Ų203%0.02611%0.111CC..EExtended strand (participates in β ladder)trans-115.1139.7-177.4-65.1-176.2175.1-78.3-0.2110.9V37 G38 P40 N41 M62V37-R95 PolarHBondContact O-NH1 3.34Å; G38-R95 WeakPolarHBondContact O-CB 3.2Å; G38-R95 WeakPolarHBondContact O-CD 3.44Å; P40-R95 CarbonylContact C-O 3.54Å; P40-R95 WeakPolarHBondContact CA-O 3.36Å; N41-R95 PolarHBondContact N-O 2.82Å; N41-R95 PolarHBondContact O-N 2.86Å; M62-R95 HydrophobicContact CB-CG 4.39Å; M62-R95 PolarHBondContact SD-NH2 3.33Å
96F98.4Very high98.6Very high98 Ų9819.9 Ų19.943%0.4311%0.11SC..  trans-97.7167-179.2-51.2-64.1000111.5G39 D61 V63 T99G39-F96 CarbonylContact C-O 3.46Å; G39-F96 VanDerWaalsContact CA-O 3.32Å; G39-F96 WeakPolarHBondContact CA-O 3.32Å; D61-F96 VanDerWaalsContact O-CD2 3.29Å; D61-F96 WeakPolarHBondContact O-CD2 3.35Å; V63-F96 HydrophobicContact CG2-CE2 4.18Å; V63-F96 HydrophobicContact CG2-CZ 3.96Å; F96-T99 HydrophobicContact CB-CG2 4.08Å; F96-T99 WeakPolarHBondContact O-CG2 3.4Å; F96-T99 PolarHBondContact O-OG1 2.94Å
97A98Very high98.6Very high51 Ų5126 Ų2642%0.42113%0.133SC..THydrogen-bonded Turntrans-60.8147.7175.900000111.1P40 T99P40-A97 HydrophobicContact CB-CB 4.44Å; P40-A97 HydrophobicContact CG-CB 4.31Å; A97-T99 VanDerWaalsContact C-N 3.27Å; A97-T99 PolarHBondContact O-N 3.49Å
98N97.3Very high98.6Very high140 Ų14026.4 Ų26.475%0.74913%0.131SC*.THydrogen-bonded Turntrans59.434177.7-46.5-49.3000114
99T98.8Very high98.6Very high7 Ų728.6 Ų28.64%0.04314%0.144CC..  trans-112.9155.4174.464.30000110.6G38 E59 F96 A97G38-T99 WeakPolarHBondContact CA-O 3.45Å; E59-T99 CarbonylContact O-C 3.49Å; E59-T99 WeakPolarHBondContact O-CA 3.45Å; E59-T99 VanDerWaalsContact O-CB 3.31Å; E59-T99 WeakPolarHBondContact O-CB 3.4Å; F96-T99 HydrophobicContact CB-CG2 4.08Å; F96-T99 WeakPolarHBondContact O-CG2 3.4Å; F96-T99 PolarHBondContact O-OG1 2.94Å; A97-T99 VanDerWaalsContact C-N 3.27Å; A97-T99 PolarHBondContact O-N 3.49Å
100V98.8Very high98.5Very high0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-142.1120.3171.8-178.10000108.1V11 F18 F36 L58 E59V11-V100 HydrophobicContact CG1-CG1 3.98Å; V11-V100 HydrophobicContact CG1-CG2 4.2Å; V11-V100 HydrophobicContact CG2-CG1 4.29Å; F18-V100 HydrophobicContact CB-CG2 4.41Å; F18-V100 HydrophobicContact CD2-CG2 4.2Å; F18-V100 HydrophobicContact CG-CG2 4.38Å; F36-V100 HydrophobicContact CB-CG1 4.27Å; F36-V100 HydrophobicContact CD1-CG1 3.91Å; L58-V100 WeakPolarHBondContact CA-O 3.44Å; L58-V100 WeakPolarHBondContact CB-O 3.34Å; L58-V100 HydrophobicContact CD2-CG1 4.4Å; L58-V100 PolarHBondContact N-O 2.93Å; E59-V100 HydrophobicContact CB-CB 4.14Å; E59-V100 HydrophobicContact CB-CG2 4.44Å; E59-V100 HydrophobicContact CG-CB 4.37Å; E59-V100 PolarHBondContact N-O 2.98Å; E59-V100 PolarHBondContact O-N 3.35Å
101G98.8Very high98.5Very high0 Ų042.5 Ų42.50%022%0.216CC..EExtended strand (participates in β ladder)trans-122139.6174.500000112F36 V37 Y56 Q57F36-G101 CarbonylContact C-O 3.53Å; F36-G101 VanDerWaalsContact CA-O 3.31Å; F36-G101 WeakPolarHBondContact CA-O 3.39Å; V37-G101 PolarHBondContact N-O 3.01Å; V37-G101 PolarHBondContact O-N 2.92Å; Y56-G101 CarbonylContact O-C 3.52Å; Y56-G101 WeakPolarHBondContact O-CA 3.39Å; Q57-G101 VanDerWaalsContact OE1-CA 3.28Å
102L98.9Very high98.5Very high5 Ų542.3 Ų42.33%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-76.3135.5166.1169.566.4000109.2V34 M35 F36 F55 Y56 V104 W229 W231V34-L102 HydrophobicContact CG1-CD1 3.78Å; M35-L102 WeakPolarHBondContact O-CA 3.33Å; F36-L102 HydrophobicContact CD1-CB 4.34Å; F36-L102 HydrophobicContact CE1-CB 3.94Å; F36-L102 HydrophobicContact CE1-CD1 4.3Å; F36-L102 HydrophobicContact CE2-CD1 4Å; F36-L102 HydrophobicContact CZ-CB 4.31Å; F36-L102 HydrophobicContact CZ-CD1 3.85Å; F55-L102 WeakPolarHBondContact CA-O 3.17Å; Y56-L102 HydrophobicContact CD1-CB 4.34Å; Y56-L102 PolarHBondContact N-O 3.04Å; Y56-L102 PolarHBondContact O-N 2.86Å; L102-V104 HydrophobicContact CD1-CG2 3.84Å; L102-V104 HydrophobicContact CD2-CG2 4.28Å; L102-V104 HydrophobicContact CG-CG2 4.09Å; L102-W229 HydrophobicContact CD1-CH2 4.33Å; L102-W229 HydrophobicContact CD1-CZ3 4.49Å; L102-W229 HydrophobicContact CD2-CH2 3.88Å; L102-W229 HydrophobicContact CD2-CZ3 3.71Å; L102-W231 HydrophobicContact CD2-CZ3 4.3Å
103V98.9Very high98.5Very high6 Ų643.9 Ų43.94%0.03622%0.224CC..EExtended strand (participates in β ladder)trans-124.2132.8163.2-177.10000108.7M35 V37 V54 F55M35-V103 HydrophobicContact CE-CB 4.41Å; M35-V103 HydrophobicContact CE-CG1 4.16Å; M35-V103 HydrophobicContact CG-CB 3.77Å; M35-V103 PolarHBondContact N-O 3.5Å; M35-V103 PolarHBondContact O-N 2.83Å; M35-V103 HydrophobicContact SD-CB 4.38Å; V37-V103 HydrophobicContact CG2-CG2 4.19Å; V54-V103 CarbonylContact O-C 3.57Å; V54-V103 WeakPolarHBondContact O-CA 3.3Å; F55-V103 HydrophobicContact CD1-CG2 3.83Å; F55-V103 HydrophobicContact CE1-CG1 4.47Å; F55-V103 HydrophobicContact CE1-CG2 3.86Å
104V98.9Very high98.5Very high0 Ų042.7 Ų42.70%022%0.216CC..EExtended strand (participates in β ladder)trans-121.2123.7169.8-1720000109.3L32 K33 V34 V54 L102 V275L32-V104 HydrophobicContact CD2-CG1 3.99Å; K33-V104 WeakPolarHBondContact O-CA 3.49Å; V34-V104 HydrophobicContact CG1-CG2 4.44Å; V34-V104 HydrophobicContact CG2-CG1 4.35Å; V34-V104 HydrophobicContact CG2-CG2 4.44Å; V54-V104 HydrophobicContact CB-CB 4.11Å; V54-V104 HydrophobicContact CG2-CB 4.46Å; V54-V104 PolarHBondContact N-O 2.86Å; V54-V104 PolarHBondContact O-N 2.82Å; L102-V104 HydrophobicContact CD1-CG2 3.84Å; L102-V104 HydrophobicContact CD2-CG2 4.28Å; L102-V104 HydrophobicContact CG-CG2 4.09Å; V104-V275 HydrophobicContact CB-CG1 4.39Å; V104-V275 HydrophobicContact CG1-CG1 3.93Å
105E98.8Very high98.5Very high10 Ų1042.1 Ų42.15%0.04721%0.213CC..EExtended strand (participates in β ladder)trans-135.2176.3172.566.8177.5-113.700109.2K33 M35 E53 R108 Q277K33-E105 HydrophobicContact CB-CG 3.67Å; K33-E105 HydrophobicContact CG-CG 4.05Å; K33-E105 PolarHBondContact N-O 2.84Å; K33-E105 PolarHBondContact O-N 2.81Å; K33-E105 VanDerWaalsContact O-N 3.12Å; M35-E105 HydrophobicContact CE-CG 3.7Å; M35-E105 WeakPolarHBondContact CE-OE2 3.39Å; E53-E105 HydrophobicContact CG-CB 4.11Å; E105-R108 IonicContact OE1-CZ 3.26Å; E105-R108 IonicContact OE1-NH1 3.91Å; E105-R108 PolarHBondContact OE1-NH1 2.98Å; E105-R108 IonicContact OE1-NH2 3.12Å; E105-R108 PolarHBondContact OE1-NH2 2.88Å; E105-Q277 PolarHBondContact O-OE1 2.74Å
106R98.6Very high98.5Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-120.7157.5-179.464.9159.7178.878.41.5113.4Q31 L32 R108 E112 E208 Q277Q31-R106 CarbonylContact O-C 3.58Å; Q31-R106 WeakPolarHBondContact O-CA 3.4Å; L32-R106 HydrophobicContact CD2-CB 4.47Å; R106-R108 PolarHBondContact O-N 2.77Å; R106-R108 PolarHBondContact O-NH1 2.76Å; R106-E112 IonicContact CZ-OE1 2.91Å; R106-E112 IonicContact CZ-OE2 3.4Å; R106-E112 IonicContact NH1-OE1 3.03Å; R106-E112 IonicContact NH1-OE2 2.63Å; R106-E112 PolarHBondContact NH1-OE2 3.47Å; R106-E112 IonicContact NH2-OE1 3.69Å; R106-E112 PolarHBondContact NH2-OE1 2.78Å; R106-E112 IonicContact NH2-OE2 3.49Å; R106-E208 WeakPolarHBondContact CD-OE1 3.49Å; R106-E208 IonicContact CZ-OE1 2.74Å; R106-E208 IonicContact CZ-OE2 3.2Å; R106-E208 IonicContact NE-OE1 2.87Å; R106-E208 PolarHBondContact NE-OE1 3.47Å; R106-E208 IonicContact NE-OE2 3.98Å; R106-E208 PolarHBondContact NE-OE2 2.85Å; R106-E208 IonicContact NH2-OE1 2.76Å; R106-E208 IonicContact NH2-OE2 2.72Å; R106-E208 PolarHBondContact NH2-OE2 2.77Å; R106-Q277 HydrophobicContact CB-CB 3.9Å; R106-Q277 WeakPolarHBondContact CD-O 3.31Å; R106-Q277 HydrophobicContact CG-CB 4.08Å
107R98.6Very high98.5Very high133 Ų13337.8 Ų37.850%0.50219%0.194SC..PPolyproline II helixtrans-51.1133.1165.3-174.7-175.3-60.2-179.4-1.2109.6E30 Q31E30-R107 VanDerWaalsContact C-NH2 3.34Å; E30-R107 PolarHBondContact O-NE 3.13Å; E30-R107 PolarHBondContact O-NH2 2.94Å; E30-R107 VanDerWaalsContact O-NH2 3.13Å; Q31-R107 PolarHBondContact O-N 2.91Å
108R98.5Very high98.5Very high23 Ų2335.7 Ų35.79%0.08718%0.175CC..PPolyproline II helixtrans-68.1147.2174-50.8-48.4-174.5-107.70.1111.2E49 E105 R106 E112 D114 C134E49-R108 VanDerWaalsContact CD-CZ 3.4Å; E49-R108 IonicContact OE1-CZ 2.85Å; E49-R108 VanDerWaalsContact OE1-CZ 3.23Å; E49-R108 IonicContact OE1-NH1 3.59Å; E49-R108 IonicContact OE1-NH2 2.76Å; E49-R108 PolarHBondContact OE1-NH2 2.8Å; E49-R108 IonicContact OE2-CZ 2.85Å; E49-R108 IonicContact OE2-NE 3.67Å; E49-R108 IonicContact OE2-NH1 3.58Å; E49-R108 PolarHBondContact OE2-NH1 2.79Å; E49-R108 IonicContact OE2-NH2 2.73Å; E49-R108 PolarHBondContact OE2-NH2 3.4Å; E105-R108 IonicContact OE1-CZ 3.26Å; E105-R108 IonicContact OE1-NH1 3.91Å; E105-R108 PolarHBondContact OE1-NH1 2.98Å; E105-R108 IonicContact OE1-NH2 3.12Å; E105-R108 PolarHBondContact OE1-NH2 2.88Å; R106-R108 PolarHBondContact O-N 2.77Å; R106-R108 PolarHBondContact O-NH1 2.76Å; R108-E112 WeakPolarHBondContact CA-OE2 3.33Å; R108-E112 HydrophobicContact CB-CB 4.13Å; R108-D114 IonicContact CZ-OD1 2.86Å; R108-D114 IonicContact CZ-OD2 2.74Å; R108-D114 IonicContact NE-OD1 3.53Å; R108-D114 PolarHBondContact NE-OD1 3.33Å; R108-D114 IonicContact NE-OD2 2.83Å; R108-D114 PolarHBondContact NE-OD2 3.17Å; R108-D114 IonicContact NH2-OD1 2.68Å; R108-D114 IonicContact NH2-OD2 3.27Å; R108-D114 PolarHBondContact NH2-OD2 2.9Å; R108-C134 HydrophobicContact CG-CB 3.89Å; R108-C134 WeakPolarHBondContact CG-O 3.45Å
109L98.3Very high98.6Very high73 Ų7330 Ų3038%0.38214%0.143SC..PPolyproline II helixtrans-67.5157.8162.1-59.8176.7000109.4T111 E112 P279L109-T111 PolarHBondContact O-N 3.19Å; L109-T111 VanDerWaalsContact O-N 3.08Å; L109-E112 HydrophobicContact CB-CB 4.44Å; L109-E112 HydrophobicContact CB-CG 3.92Å; L109-E112 HydrophobicContact CD1-CG 4.48Å; L109-E112 HydrophobicContact CG-CG 4.41Å; L109-E112 PolarHBondContact N-OE2 2.75Å; L109-E112 PolarHBondContact O-N 2.86Å; L109-P279 HydrophobicContact CD1-CB 4.05Å; L109-P279 HydrophobicContact CD2-CB 3.85Å; L109-P279 HydrophobicContact CD2-CG 3.91Å; L109-P279 HydrophobicContact CG-CB 4.04Å
110E97.9Very high98.6Very high188 Ų18831.5 Ų31.588%0.87915%0.153SC*.THydrogen-bonded Turntrans-62.2-19.9179-62.5-174.1168.800113.4Y133E110-Y133 WeakPolarHBondContact O-CE1 3.17Å
111T97.8Very high98.3Very high110 Ų11034.2 Ų34.268%0.67518%0.18SC*.THydrogen-bonded Turntrans-92.5-9.5178.2570000113.6L109L109-T111 PolarHBondContact O-N 3.19Å; L109-T111 VanDerWaalsContact O-N 3.08Å
112E98.4Very high98.1Very high0 Ų040.4 Ų40.40%021%0.214CC..  trans-87.3138.2-174-75.4175.7153.600111.7E50 R106 R108 L109 Y133 K282E50-E112 HydrophobicContact CB-CB 4.23Å; E50-E112 HydrophobicContact CB-CG 3.84Å; E50-E112 HydrophobicContact CG-CB 4.5Å; E50-E112 HydrophobicContact CG-CG 4.35Å; E50-E112 WeakPolarHBondContact OE1-CA 3.45Å; R106-E112 IonicContact CZ-OE1 2.91Å; R106-E112 IonicContact CZ-OE2 3.4Å; R106-E112 IonicContact NH1-OE1 3.03Å; R106-E112 IonicContact NH1-OE2 2.63Å; R106-E112 PolarHBondContact NH1-OE2 3.47Å; R106-E112 IonicContact NH2-OE1 3.69Å; R106-E112 PolarHBondContact NH2-OE1 2.78Å; R106-E112 IonicContact NH2-OE2 3.49Å; R108-E112 WeakPolarHBondContact CA-OE2 3.33Å; R108-E112 HydrophobicContact CB-CB 4.13Å; L109-E112 HydrophobicContact CB-CB 4.44Å; L109-E112 HydrophobicContact CB-CG 3.92Å; L109-E112 HydrophobicContact CD1-CG 4.48Å; L109-E112 HydrophobicContact CG-CG 4.41Å; L109-E112 PolarHBondContact N-OE2 2.75Å; L109-E112 PolarHBondContact O-N 2.86Å; E112-Y133 VanDerWaalsContact O-CD1 3.28Å; E112-Y133 WeakPolarHBondContact O-CD1 3.11Å; E112-K282 WeakPolarHBondContact OE1-CE 3.5Å; E112-K282 IonicContact OE1-NZ 2.58Å; E112-K282 PolarHBondContact OE1-NZ 3.19Å
113L98.4Very high98Very high34 Ų3442.9 Ų42.918%0.17823%0.229CC..  trans-111.1144.2175.7-74.9169.1000111.5E50 W131 F132 Y133 P169 F170E50-L113 PolarHBondContact OE1-N 2.85Å; L113-W131 HydrophobicContact CB-CE3 4.49Å; L113-F132 VanDerWaalsContact CD2-C 3.5Å; L113-Y133 HydrophobicContact CD2-CD1 3.84Å; L113-Y133 HydrophobicContact CD2-CD2 3.99Å; L113-Y133 HydrophobicContact CD2-CE1 3.8Å; L113-Y133 HydrophobicContact CD2-CE2 3.95Å; L113-Y133 HydrophobicContact CD2-CG 3.94Å; L113-Y133 HydrophobicContact CG-CD1 4.48Å; L113-Y133 HydrophobicContact CG-CE1 4.16Å; L113-P169 HydrophobicContact CB-CG 4.49Å; L113-P169 HydrophobicContact CD1-CB 3.79Å; L113-P169 HydrophobicContact CD1-CG 4.04Å; L113-F170 HydrophobicContact CB-CE1 4.27Å; L113-F170 VanDerWaalsContact O-CE1 3.31Å; L113-F170 WeakPolarHBondContact O-CE1 3.47Å
114D98.8Very high97.9Very high0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-101.4150.6165-74.853.6000109.2H47 I48 R108 W131 F132 C134H47-D114 IonicContact CD2-OD2 3.81Å; H47-D114 IonicContact CE1-OD2 3.87Å; H47-D114 IonicContact NE2-OD2 2.92Å; H47-D114 PolarHBondContact NE2-OD2 2.82Å; I48-D114 CarbonylContact O-C 3.49Å; I48-D114 VanDerWaalsContact O-CA 3.32Å; I48-D114 WeakPolarHBondContact O-CA 3.36Å; R108-D114 IonicContact CZ-OD1 2.86Å; R108-D114 IonicContact CZ-OD2 2.74Å; R108-D114 IonicContact NE-OD1 3.53Å; R108-D114 PolarHBondContact NE-OD1 3.33Å; R108-D114 IonicContact NE-OD2 2.83Å; R108-D114 PolarHBondContact NE-OD2 3.17Å; R108-D114 IonicContact NH2-OD1 2.68Å; R108-D114 IonicContact NH2-OD2 3.27Å; R108-D114 PolarHBondContact NH2-OD2 2.9Å; D114-W131 CarbonylContact O-C 3.54Å; D114-W131 VanDerWaalsContact O-CA 3.27Å; D114-W131 WeakPolarHBondContact O-CA 3.41Å; D114-F132 HydrophobicContact CB-CD2 4.44Å; D114-F132 HydrophobicContact CB-CE1 4.03Å; D114-F132 HydrophobicContact CB-CE2 3.97Å; D114-F132 HydrophobicContact CB-CZ 3.74Å; D114-F132 PolarHBondContact N-O 2.92Å; D114-F132 PolarHBondContact O-N 2.81Å; D114-C134 HydrophobicContact CB-CB 3.96Å; D114-C134 VanDerWaalsContact OD1-CB 3.23Å; D114-C134 WeakPolarHBondContact OD1-CB 3.41Å
115G98.6Very high97.9Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-125.8138.9175.700000110.9H47 I48 K130 W131H47-G115 CarbonylContact C-O 3.55Å; H47-G115 WeakPolarHBondContact CA-O 3.35Å; I48-G115 PolarHBondContact N-O 2.81Å; I48-G115 PolarHBondContact O-N 2.85Å; G115-K130 CarbonylContact C-O 3.56Å; G115-K130 WeakPolarHBondContact CA-O 3.31Å; G115-W131 VanDerWaalsContact CA-CE3 3.46Å
116L98.6Very high97.8Very high0 Ų051.6 Ų51.60%028%0.275CS..EExtended strand (participates in β ladder)trans-115.9123.6165.9-158.771.8000108.7D45 H47 Y118 E129 K130 L141 I144 I145D45-L116 HydrophobicContact CB-CD1 4.02Å; D45-L116 HydrophobicContact CB-CD2 4.27Å; D45-L116 HydrophobicContact CB-CG 3.99Å; D45-L116 WeakPolarHBondContact OD2-CD1 3.31Å; H47-L116 HydrophobicContact CB-CD1 4.22Å; L116-Y118 HydrophobicContact CD2-CE2 4.49Å; L116-E129 CarbonylContact O-C 3.56Å; L116-E129 VanDerWaalsContact O-CA 3.28Å; L116-E129 WeakPolarHBondContact O-CA 3.34Å; L116-K130 PolarHBondContact N-O 3Å; L116-K130 PolarHBondContact O-N 2.8Å; L116-L141 HydrophobicContact CB-CD2 4.42Å; L116-L141 HydrophobicContact CD1-CD2 3.62Å; L116-L141 HydrophobicContact CD2-CD2 3.96Å; L116-L141 HydrophobicContact CG-CD2 4.2Å; L116-I144 HydrophobicContact CB-CG2 4.19Å; L116-I144 HydrophobicContact CD2-CB 4.27Å; L116-I144 HydrophobicContact CD2-CG2 3.72Å; L116-I145 HydrophobicContact CD2-CG1 3.77Å
117R98.6Very high97.8Very high14 Ų1452.2 Ų52.25%0.05328%0.279CS..EExtended strand (participates in β ladder)trans-125.4142.3-177.4-70.9-163.1168.7163.1-14.3112.4D45 Y46 I48 Y119 F128 E129D45-R117 CarbonylContact C-O 3.51Å; D45-R117 VanDerWaalsContact CA-O 3.28Å; D45-R117 WeakPolarHBondContact CA-O 3.41Å; Y46-R117 PolarHBondContact N-O 2.85Å; Y46-R117 PolarHBondContact O-N 2.77Å; I48-R117 HydrophobicContact CD1-CG 3.88Å; R117-Y119 HydrophobicContact CB-CE2 3.96Å; R117-F128 CarbonylContact C-O 3.59Å; R117-F128 WeakPolarHBondContact CA-O 3.37Å; R117-E129 HydrophobicContact CG-CB 3.72Å; R117-E129 IonicContact CZ-OE2 3.64Å; R117-E129 IonicContact NE-OE2 3.54Å; R117-E129 PolarHBondContact NE-OE2 3.13Å; R117-E129 IonicContact NH2-OE1 3.23Å; R117-E129 IonicContact NH2-OE2 3.79Å; R117-E129 PolarHBondContact NH2-OE2 2.75Å
118Y98.8Very high97.9Very high6 Ų646.4 Ų46.42%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-112.8143.6162.1-68.9-96.2000108.6K44 D45 L116 L127 F128 F148K44-Y118 HydrophobicContact CB-CD1 4.06Å; K44-Y118 HydrophobicContact CB-CE1 4.16Å; D45-Y118 HydrophobicContact CB-CD1 4.16Å; D45-Y118 HydrophobicContact CB-CD2 4.22Å; D45-Y118 HydrophobicContact CB-CE1 3.67Å; D45-Y118 HydrophobicContact CB-CE2 3.74Å; D45-Y118 HydrophobicContact CB-CG 4.43Å; D45-Y118 VanDerWaalsContact CB-CZ 3.46Å; L116-Y118 HydrophobicContact CD2-CE2 4.49Å; Y118-L127 WeakPolarHBondContact O-CB 3.41Å; Y118-L127 PolarHBondContact O-N 3.41Å; Y118-F128 HydrophobicContact CD2-CD1 4.03Å; Y118-F128 PolarHBondContact N-O 2.84Å; Y118-F128 PolarHBondContact O-N 2.81Å; Y118-F148 AromaticContact CD1-CD1 3.85Å; Y118-F148 HydrophobicContact CD1-CD1 3.85Å; Y118-F148 AromaticContact CD1-CE1 3.36Å; Y118-F148 HydrophobicContact CD1-CE1 3.36Å; Y118-F148 HydrophobicContact CD1-CE2 4.17Å; Y118-F148 HydrophobicContact CD1-CG 4.41Å; Y118-F148 AromaticContact CD1-CZ 3.53Å; Y118-F148 HydrophobicContact CD1-CZ 3.53Å; Y118-F148 HydrophobicContact CD2-CB 4.08Å; Y118-F148 AromaticContact CD2-CD1 3.73Å; Y118-F148 HydrophobicContact CD2-CD1 3.73Å; Y118-F148 AromaticContact CD2-CD2 3.6Å; Y118-F148 HydrophobicContact CD2-CD2 3.6Å; Y118-F148 AromaticContact CD2-CE1 3.99Å; Y118-F148 HydrophobicContact CD2-CE1 3.99Å; Y118-F148 AromaticContact CD2-CE2 3.87Å; Y118-F148 HydrophobicContact CD2-CE2 3.87Å; Y118-F148 AromaticContact CD2-CG 3.49Å; Y118-F148 HydrophobicContact CD2-CG 3.49Å; Y118-F148 VanDerWaalsContact CD2-CG 3.49Å; Y118-F148 HydrophobicContact CD2-CZ 4.04Å; Y118-F148 AromaticContact CE1-CD1 3.46Å; Y118-F148 HydrophobicContact CE1-CD1 3.46Å; Y118-F148 VanDerWaalsContact CE1-CD1 3.46Å; Y118-F148 AromaticContact CE1-CE1 3.28Å; Y118-F148 HydrophobicContact CE1-CE1 3.28Å; Y118-F148 HydrophobicContact CE1-CG 4.25Å; Y118-F148 AromaticContact CE1-CZ 3.97Å; Y118-F148 HydrophobicContact CE1-CZ 3.97Å; Y118-F148 HydrophobicContact CE2-CB 3.59Å; Y118-F148 AromaticContact CE2-CD1 3.33Å; Y118-F148 HydrophobicContact CE2-CD1 3.33Å; Y118-F148 AromaticContact CE2-CD2 3.94Å; Y118-F148 HydrophobicContact CE2-CD2 3.94Å; Y118-F148 AromaticContact CE2-CE1 3.93Å; Y118-F148 HydrophobicContact CE2-CE1 3.93Å; Y118-F148 HydrophobicContact CE2-CE2 4.47Å; Y118-F148 AromaticContact CE2-CG 3.31Å; Y118-F148 HydrophobicContact CE2-CG 3.31Å; Y118-F148 HydrophobicContact CE2-CZ 4.45Å; Y118-F148 AromaticContact CG-CD1 3.95Å; Y118-F148 HydrophobicContact CG-CD1 3.95Å; Y118-F148 AromaticContact CG-CD2 3.93Å; Y118-F148 HydrophobicContact CG-CD2 3.93Å; Y118-F148 AromaticContact CG-CE1 3.7Å; Y118-F148 HydrophobicContact CG-CE1 3.7Å; Y118-F148 AromaticContact CG-CE2 3.68Å; Y118-F148 HydrophobicContact CG-CE2 3.68Å; Y118-F148 HydrophobicContact CG-CG 4.04Å; Y118-F148 AromaticContact CG-CZ 3.54Å; Y118-F148 HydrophobicContact CG-CZ 3.54Å; Y118-F148 AromaticContact CZ-CD1 3.15Å; Y118-F148 AromaticContact CZ-CE1 3.56Å; Y118-F148 AromaticContact CZ-CG 3.7Å
119Y98.6Very high97.9Very high20 Ų2046.1 Ų46.18%0.07826%0.257CS..EExtended strand (participates in β ladder)trans-107.7159.2178.4-70.1-90.2000111.3Y46 L67 R117 G121 M124 D125 V126Y46-Y119 AromaticContact CD2-CD2 3.73Å; Y46-Y119 HydrophobicContact CD2-CD2 3.73Å; Y46-Y119 AromaticContact CD2-CE2 3.98Å; Y46-Y119 HydrophobicContact CD2-CE2 3.98Å; Y46-Y119 HydrophobicContact CE2-CD2 4.18Å; Y46-Y119 HydrophobicContact CG-CD2 4.19Å; Y46-Y119 AromaticContact CG-CE2 3.95Å; Y46-Y119 HydrophobicContact CG-CE2 3.95Å; L67-Y119 HydrophobicContact CD1-CD1 4.38Å; L67-Y119 HydrophobicContact CD1-CD2 4.17Å; L67-Y119 HydrophobicContact CD1-CE1 3.67Å; L67-Y119 HydrophobicContact CD1-CE2 3.43Å; L67-Y119 VanDerWaalsContact CD1-CE2 3.43Å; L67-Y119 WeakPolarHBondContact CD1-OH 3.21Å; R117-Y119 HydrophobicContact CB-CE2 3.96Å; Y119-G121 PolarHBondContact O-N 2.76Å; Y119-G121 VanDerWaalsContact O-N 3.1Å; Y119-M124 WeakPolarHBondContact CE1-O 3.32Å; Y119-D125 CarbonylContact C-O 3.58Å; Y119-D125 WeakPolarHBondContact CA-O 3.26Å; Y119-D125 WeakPolarHBondContact CD1-O 3.32Å; Y119-V126 HydrophobicContact CD1-CG2 4.49Å; Y119-V126 HydrophobicContact CE1-CG2 3.93Å
120V98.3Very high97.9Very high39 Ų3946.2 Ų46.224%0.23625%0.254CS..SBendtrans-75.396.7175.8-177.50000109.3D122 T123 D125 L127 P159V120-D122 PolarHBondContact O-N 2.88Å; V120-T123 WeakPolarHBondContact O-CG2 3.29Å; V120-T123 PolarHBondContact O-N 2.8Å; V120-T123 PolarHBondContact O-OG1 2.92Å; V120-D125 HydrophobicContact CB-CB 4.38Å; V120-D125 HydrophobicContact CG2-CB 4.13Å; V120-D125 PolarHBondContact N-O 3Å; V120-L127 HydrophobicContact CG2-CB 3.97Å; V120-L127 HydrophobicContact CG2-CD1 4.24Å; V120-P159 HydrophobicContact CG2-CG 3.61Å
121G94.4Very high97.9Very high57 Ų5739.2 Ų39.259%0.58822%0.219SC*.THydrogen-bonded Turntrans60.7-125.8-176.900000111.1Y119Y119-G121 PolarHBondContact O-N 2.76Å; Y119-G121 VanDerWaalsContact O-N 3.1Å
122D93.9Very high97.9Very high130 Ų13035.1 Ų35.170%0.69519%0.192SC*.THydrogen-bonded Turntrans-105.420.6175.4-56.7-49.5000112.1H72 V120H72-D122 PolarHBondContact CD2-O 2.94Å; V120-D122 PolarHBondContact O-N 2.88Å
123T97.6Very high97.9Very high58 Ų5841.5 Ų41.536%0.35622%0.217SC..SBendtrans-86.5168.6172.386.90000111.4H72 V120 D125H72-T123 PolarHBondContact NE2-O 3.43Å; V120-T123 WeakPolarHBondContact O-CG2 3.29Å; V120-T123 PolarHBondContact O-N 2.8Å; V120-T123 PolarHBondContact O-OG1 2.92Å; T123-D125 VanDerWaalsContact C-N 3.26Å; T123-D125 PolarHBondContact O-N 2.84Å; T123-D125 WeakPolarHBondContact OG1-CB 3.38Å; T123-D125 PolarHBondContact OG1-N 2.97Å; T123-D125 VanDerWaalsContact OG1-N 3.14Å; T123-D125 PolarHBondContact OG1-OD2 2.92Å
124M96Very high97.9Very high74 Ų7440.7 Ų40.737%0.36521%0.214SC..SBendtrans-852.3176.1-55.6-55-53.800113.3L67 G70 H72 Y119L67-M124 HydrophobicContact CB-CE 4.18Å; L67-M124 HydrophobicContact CD1-CE 3.61Å; L67-M124 HydrophobicContact CD2-CE 3.44Å; L67-M124 VanDerWaalsContact CD2-CE 3.44Å; L67-M124 HydrophobicContact CD2-SD 3.72Å; L67-M124 HydrophobicContact CG-CE 3.92Å; G70-M124 WeakPolarHBondContact O-CG 3.44Å; H72-M124 PolarHBondContact CD2-SD 2.85Å; Y119-M124 WeakPolarHBondContact CE1-O 3.32Å
125D97.6Very high97.7Very high102 Ų10249.2 Ų49.255%0.54525%0.251SS..SBendtrans-80.4128.1-178-55-55.1000110.2Y119 V120 T123 L127Y119-D125 CarbonylContact C-O 3.58Å; Y119-D125 WeakPolarHBondContact CA-O 3.26Å; Y119-D125 WeakPolarHBondContact CD1-O 3.32Å; V120-D125 HydrophobicContact CB-CB 4.38Å; V120-D125 HydrophobicContact CG2-CB 4.13Å; V120-D125 PolarHBondContact N-O 3Å; T123-D125 VanDerWaalsContact C-N 3.26Å; T123-D125 PolarHBondContact O-N 2.84Å; T123-D125 WeakPolarHBondContact OG1-CB 3.38Å; T123-D125 PolarHBondContact OG1-N 2.97Å; T123-D125 VanDerWaalsContact OG1-N 3.14Å; T123-D125 PolarHBondContact OG1-OD2 2.92Å; D125-L127 PolarHBondContact O-N 2.81Å
126V98.5Very high97.4Very high23 Ų2351.4 Ų51.414%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-71.8125.4178.8-176.90000109.4Y119 E129 P159 L164Y119-V126 HydrophobicContact CD1-CG2 4.49Å; Y119-V126 HydrophobicContact CE1-CG2 3.93Å; V126-E129 HydrophobicContact CG1-CB 4.04Å; V126-E129 HydrophobicContact CG1-CG 4.37Å; V126-P159 WeakPolarHBondContact O-CB 3.32Å; V126-P159 WeakPolarHBondContact O-CG 3.5Å; V126-L164 HydrophobicContact CB-CD1 4.26Å; V126-L164 HydrophobicContact CB-CD2 4.21Å; V126-L164 HydrophobicContact CG1-CD2 3.68Å; V126-L164 WeakPolarHBondContact O-CD1 3.27Å
127L98.7Very high97Very high13 Ų1352.8 Ų52.87%0.06827%0.27CS..EExtended strand (participates in β ladder)trans-86.7-46.3174177.461.1000111.2Y118 V120 D125 F148 Q153 K158Y118-L127 WeakPolarHBondContact O-CB 3.41Å; Y118-L127 PolarHBondContact O-N 3.41Å; V120-L127 HydrophobicContact CG2-CB 3.97Å; V120-L127 HydrophobicContact CG2-CD1 4.24Å; D125-L127 PolarHBondContact O-N 2.81Å; L127-F148 HydrophobicContact CD2-CE2 3.91Å; L127-F148 HydrophobicContact CD2-CZ 4.05Å; L127-F148 HydrophobicContact CG-CE2 4.31Å; L127-Q153 HydrophobicContact CD1-CB 3.81Å; L127-Q153 HydrophobicContact CG-CB 4.06Å; L127-Q153 WeakPolarHBondContact O-CG 3.4Å; L127-K158 WeakPolarHBondContact CD1-O 3.18Å
128F98.8Very high96.3Very high10 Ų1054.4 Ų54.44%0.04429%0.291CS..EExtended strand (participates in β ladder)trans-150.7144.5-179.3172.5-86.8000108.9R117 Y118 K130 I144 E147 F148R117-F128 CarbonylContact C-O 3.59Å; R117-F128 WeakPolarHBondContact CA-O 3.37Å; Y118-F128 HydrophobicContact CD2-CD1 4.03Å; Y118-F128 PolarHBondContact N-O 2.84Å; Y118-F128 PolarHBondContact O-N 2.81Å; F128-K130 HydrophobicContact CE1-CB 4.13Å; F128-K130 HydrophobicContact CZ-CB 4.38Å; F128-I144 HydrophobicContact CE1-CG2 4.26Å; F128-E147 HydrophobicContact CE2-CG 4.49Å; F128-E147 HydrophobicContact CZ-CG 4.24Å; F128-F148 HydrophobicContact CB-CD2 3.58Å; F128-F148 HydrophobicContact CB-CE2 3.91Å; F128-F148 HydrophobicContact CD1-CB 4.05Å; F128-F148 AromaticContact CD1-CD2 3.95Å; F128-F148 HydrophobicContact CD1-CD2 3.95Å; F128-F148 HydrophobicContact CD1-CG 4.37Å; F128-F148 HydrophobicContact CD2-CD2 4.3Å; F128-F148 HydrophobicContact CE1-CB 4.06Å; F128-F148 HydrophobicContact CG-CB 4.42Å; F128-F148 AromaticContact CG-CD2 3.69Å; F128-F148 HydrophobicContact CG-CD2 3.69Å; F128-F148 HydrophobicContact CG-CG 4.5Å; F128-F148 HydrophobicContact CZ-CB 4.44Å
129E98.5Very high95.9Very high18 Ų1858.4 Ų58.48%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-143.5149.3171.667.4-175.7141.700112.6L116 R117 V126 W131 L164 L165L116-E129 CarbonylContact O-C 3.56Å; L116-E129 VanDerWaalsContact O-CA 3.28Å; L116-E129 WeakPolarHBondContact O-CA 3.34Å; R117-E129 HydrophobicContact CG-CB 3.72Å; R117-E129 IonicContact CZ-OE2 3.64Å; R117-E129 IonicContact NE-OE2 3.54Å; R117-E129 PolarHBondContact NE-OE2 3.13Å; R117-E129 IonicContact NH2-OE1 3.23Å; R117-E129 IonicContact NH2-OE2 3.79Å; R117-E129 PolarHBondContact NH2-OE2 2.75Å; V126-E129 HydrophobicContact CG1-CB 4.04Å; V126-E129 HydrophobicContact CG1-CG 4.37Å; E129-W131 PolarHBondContact OE2-NE1 2.96Å; E129-L164 HydrophobicContact CG-CD2 4.21Å; E129-L165 PolarHBondContact OE1-N 3.08Å
130K98.5Very high95.7Very high75 Ų7560 Ų6033%0.32632%0.324SS..EExtended strand (participates in β ladder)trans-137.1134.3170.3-161.278.6171.1-150.90109.5G115 L116 F128 I144 E147G115-K130 CarbonylContact C-O 3.56Å; G115-K130 WeakPolarHBondContact CA-O 3.31Å; L116-K130 PolarHBondContact N-O 3Å; L116-K130 PolarHBondContact O-N 2.8Å; F128-K130 HydrophobicContact CE1-CB 4.13Å; F128-K130 HydrophobicContact CZ-CB 4.38Å; K130-I144 HydrophobicContact CB-CG2 3.59Å; K130-I144 HydrophobicContact CG-CD1 4.22Å; K130-I144 HydrophobicContact CG-CG1 4.26Å; K130-I144 HydrophobicContact CG-CG2 4Å; K130-E147 IonicContact NZ-OE1 2.74Å; K130-E147 PolarHBondContact NZ-OE1 2.76Å; K130-E147 IonicContact NZ-OE2 3.41Å; K130-E147 PolarHBondContact NZ-OE2 2.93Å
131W98.6Very high95.5Very high41 Ų4158.8 Ų58.816%0.15532%0.317CS..EExtended strand (participates in β ladder)trans-115.7137.2177.3-6388.8000110.2I48 L113 D114 G115 E129 L165 P168 P169 F170I48-W131 HydrophobicContact CB-CH2 4.49Å; I48-W131 HydrophobicContact CD1-CH2 4.11Å; I48-W131 HydrophobicContact CD1-CZ2 4.5Å; I48-W131 HydrophobicContact CG2-CH2 4.3Å; I48-W131 HydrophobicContact CG2-CZ3 4.48Å; L113-W131 HydrophobicContact CB-CE3 4.49Å; D114-W131 CarbonylContact O-C 3.54Å; D114-W131 VanDerWaalsContact O-CA 3.27Å; D114-W131 WeakPolarHBondContact O-CA 3.41Å; G115-W131 VanDerWaalsContact CA-CE3 3.46Å; E129-W131 PolarHBondContact OE2-NE1 2.96Å; W131-L165 VanDerWaalsContact CD1-CD1 3.43Å; W131-L165 HydrophobicContact CG-CD1 4.21Å; W131-P168 HydrophobicContact CH2-CB 4.06Å; W131-P168 HydrophobicContact CZ2-CB 3.9Å; W131-P169 HydrophobicContact CD2-CG 3.66Å; W131-P169 VanDerWaalsContact CE2-CD 3.49Å; W131-P169 HydrophobicContact CE3-CG 3.35Å; W131-P169 HydrophobicContact CG-CG 4.36Å; W131-P169 HydrophobicContact CH2-CG 3.99Å; W131-P169 VanDerWaalsContact CZ2-CD 3.49Å; W131-P169 HydrophobicContact CZ2-CG 4.26Å; W131-P169 HydrophobicContact CZ3-CG 3.53Å; W131-F170 HydrophobicContact CH2-CE2 4.29Å; W131-F170 HydrophobicContact CH2-CZ 4.11Å; W131-F170 AromaticContact CZ3-CE1 3.83Å; W131-F170 HydrophobicContact CZ3-CE1 3.83Å; W131-F170 HydrophobicContact CZ3-CE2 4.14Å; W131-F170 AromaticContact CZ3-CZ 3.5Å; W131-F170 HydrophobicContact CZ3-CZ 3.5Å
132F98.5Very high95.4Very high23 Ų2358.9 Ų58.910%0.10131%0.312CS..EExtended strand (participates in β ladder)trans-156.3154.9-173.262.5-81.1000112.4L113 D114 C134 L137 Q140 L141 I144L113-F132 VanDerWaalsContact CD2-C 3.5Å; D114-F132 HydrophobicContact CB-CD2 4.44Å; D114-F132 HydrophobicContact CB-CE1 4.03Å; D114-F132 HydrophobicContact CB-CE2 3.97Å; D114-F132 HydrophobicContact CB-CZ 3.74Å; D114-F132 PolarHBondContact N-O 2.92Å; D114-F132 PolarHBondContact O-N 2.81Å; F132-C134 HydrophobicContact CD2-CB 4.29Å; F132-C134 HydrophobicContact CE2-CB 3.86Å; F132-C134 PolarHBondContact O-N 2.95Å; F132-L137 HydrophobicContact CE2-CD1 4.43Å; F132-L137 HydrophobicContact CZ-CD1 4.11Å; F132-Q140 HydrophobicContact CD2-CB 4.38Å; F132-Q140 HydrophobicContact CE2-CB 4.08Å; F132-L141 HydrophobicContact CE1-CD2 4.3Å; F132-L141 HydrophobicContact CZ-CD2 3.88Å; F132-I144 HydrophobicContact CD1-CD1 3.43Å; F132-I144 VanDerWaalsContact CD1-CD1 3.43Å; F132-I144 HydrophobicContact CE1-CD1 3.48Å; F132-I144 VanDerWaalsContact CE1-CD1 3.48Å; F132-I144 HydrophobicContact CG-CD1 4Å; F132-I144 HydrophobicContact CZ-CD1 4.08Å
133Y98.4Very high95.5Very high135 Ų13556.4 Ų56.453%0.52930%0.303SS..  trans-77.7114.7169.2-67-77.6000109.5E110 E112 L113 Q140E110-Y133 WeakPolarHBondContact O-CE1 3.17Å; E112-Y133 VanDerWaalsContact O-CD1 3.28Å; E112-Y133 WeakPolarHBondContact O-CD1 3.11Å; L113-Y133 HydrophobicContact CD2-CD1 3.84Å; L113-Y133 HydrophobicContact CD2-CD2 3.99Å; L113-Y133 HydrophobicContact CD2-CE1 3.8Å; L113-Y133 HydrophobicContact CD2-CE2 3.95Å; L113-Y133 HydrophobicContact CD2-CG 3.94Å; L113-Y133 HydrophobicContact CG-CD1 4.48Å; L113-Y133 HydrophobicContact CG-CE1 4.16Å; Y133-Q140 PolarHBondContact O-NE2 2.99Å
134C97.4Very high95.6Very high16 Ų1654.3 Ų54.311%0.10829%0.289CS..  trans-83.9120.5-178.1-176.20000111.6R108 D114 F132R108-C134 HydrophobicContact CG-CB 3.89Å; R108-C134 WeakPolarHBondContact CG-O 3.45Å; D114-C134 HydrophobicContact CB-CB 3.96Å; D114-C134 VanDerWaalsContact OD1-CB 3.23Å; D114-C134 WeakPolarHBondContact OD1-CB 3.41Å; F132-C134 HydrophobicContact CD2-CB 4.29Å; F132-C134 HydrophobicContact CE2-CB 3.86Å; F132-C134 PolarHBondContact O-N 2.95Å
135K94.6Very high95.6Very high179 Ų17952.5 Ų52.578%0.77828%0.281SS*.SBendtrans-112.2-40.6171.1-65.8-174.9178.1-177.40111.2
136D92Very high95.6Very high46 Ų4653.3 Ų53.325%0.24628%0.282CS..  trans-143.4101175.1-177.7-52.3000108.4Q29 G138 T139 Q140Q29-D136 PolarHBondContact NE2-OD2 3.03Å; D136-G138 PolarHBondContact O-N 3.49Å; D136-G138 PolarHBondContact OD1-N 2.93Å; D136-T139 VanDerWaalsContact CB-OG1 3.3Å; D136-T139 WeakPolarHBondContact CB-OG1 3.44Å; D136-T139 VanDerWaalsContact CG-OG1 3.22Å; D136-T139 PolarHBondContact O-N 2.81Å; D136-T139 PolarHBondContact O-OG1 3.08Å; D136-T139 VanDerWaalsContact O-OG1 3.09Å; D136-T139 WeakPolarHBondContact OD1-CG2 3.31Å; D136-T139 PolarHBondContact OD1-N 2.78Å; D136-T139 PolarHBondContact OD1-OG1 3.11Å; D136-Q140 WeakPolarHBondContact O-CB 3.43Å; D136-Q140 VanDerWaalsContact O-CG 3.28Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.9Å; D136-Q140 PolarHBondContact O-OE1 3.48Å
137L90.3Very high95.6Very high29 Ų2956.1 Ų56.115%0.15229%0.293CS..Hα-helixtrans-59.6-45.8-172.5-171.164.8000111.7F132 T139 Q140 L141F132-L137 HydrophobicContact CE2-CD1 4.43Å; F132-L137 HydrophobicContact CZ-CD1 4.11Å; L137-T139 PolarHBondContact O-N 2.68Å; L137-Q140 PolarHBondContact O-N 3.5Å; L137-L141 HydrophobicContact CD1-CD1 3.79Å; L137-L141 HydrophobicContact CD1-CD2 4.03Å; L137-L141 HydrophobicContact CD1-CG 3.74Å; L137-L141 HydrophobicContact CD2-CD1 4.29Å; L137-L141 HydrophobicContact CG-CD1 3.65Å; L137-L141 HydrophobicContact CG-CG 3.98Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 WeakPolarHBondContact O-CG 3.16Å; L137-L141 PolarHBondContact O-N 2.75Å
138G85.3Confident95.6Very high48 Ų4856 Ų5650%0.49529%0.292SS..Hα-helixtrans-60.8-44.6-177.500000113.1D136D136-G138 PolarHBondContact O-N 3.49Å; D136-G138 PolarHBondContact OD1-N 2.93Å
139T90.4Very high95.6Very high91 Ų9159.9 Ų59.956%0.55831%0.309SS*.Hα-helixtrans-73.6-31.8179.259.90000113.2D136 L137 P143D136-T139 VanDerWaalsContact CB-OG1 3.3Å; D136-T139 WeakPolarHBondContact CB-OG1 3.44Å; D136-T139 VanDerWaalsContact CG-OG1 3.22Å; D136-T139 PolarHBondContact O-N 2.81Å; D136-T139 PolarHBondContact O-OG1 3.08Å; D136-T139 VanDerWaalsContact O-OG1 3.09Å; D136-T139 WeakPolarHBondContact OD1-CG2 3.31Å; D136-T139 PolarHBondContact OD1-N 2.78Å; D136-T139 PolarHBondContact OD1-OG1 3.11Å; L137-T139 PolarHBondContact O-N 2.68Å; T139-P143 WeakPolarHBondContact O-CD 3.11Å
140Q94.2Very high95.6Very high52 Ų5263 Ų6324%0.24333%0.333CS..Hα-helixtrans-84.5-28.2-177.5-68.6179.2-98.600113.5F132 Y133 D136 L137 P143 I144F132-Q140 HydrophobicContact CD2-CB 4.38Å; F132-Q140 HydrophobicContact CE2-CB 4.08Å; Y133-Q140 PolarHBondContact O-NE2 2.99Å; D136-Q140 WeakPolarHBondContact O-CB 3.43Å; D136-Q140 VanDerWaalsContact O-CG 3.28Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.9Å; D136-Q140 PolarHBondContact O-OE1 3.48Å; L137-Q140 PolarHBondContact O-N 3.5Å; Q140-P143 WeakPolarHBondContact O-CD 3.38Å; Q140-P143 WeakPolarHBondContact O-CG 3.35Å; Q140-I144 WeakPolarHBondContact O-CD1 3.32Å; Q140-I144 WeakPolarHBondContact O-CG1 3.36Å
141L93.6Very high95.6Very high14 Ų1460.3 Ų60.37%0.07332%0.324CS..Hα-helixtrans-71-39.5178.7-74-177.6000112.8L116 F132 L137 I144 I145L116-L141 HydrophobicContact CB-CD2 4.42Å; L116-L141 HydrophobicContact CD1-CD2 3.62Å; L116-L141 HydrophobicContact CD2-CD2 3.96Å; L116-L141 HydrophobicContact CG-CD2 4.2Å; F132-L141 HydrophobicContact CE1-CD2 4.3Å; F132-L141 HydrophobicContact CZ-CD2 3.88Å; L137-L141 HydrophobicContact CD1-CD1 3.79Å; L137-L141 HydrophobicContact CD1-CD2 4.03Å; L137-L141 HydrophobicContact CD1-CG 3.74Å; L137-L141 HydrophobicContact CD2-CD1 4.29Å; L137-L141 HydrophobicContact CG-CD1 3.65Å; L137-L141 HydrophobicContact CG-CG 3.98Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 WeakPolarHBondContact O-CG 3.16Å; L137-L141 PolarHBondContact O-N 2.75Å; L141-I144 PolarHBondContact O-N 3.49Å; L141-I144 VanDerWaalsContact O-N 3.1Å; L141-I145 HydrophobicContact CB-CD1 4.23Å; L141-I145 VanDerWaalsContact O-CG1 3.29Å; L141-I145 WeakPolarHBondContact O-CG1 3.38Å; L141-I145 PolarHBondContact O-N 2.85Å
142A92.6Very high95.5Very high60 Ų6062.5 Ų62.550%0.49634%0.336SS..Hα-helixtrans-52.3-51-177.900000114.1I144 I145 Q146A142-I144 PolarHBondContact O-N 2.8Å; A142-I145 PolarHBondContact O-N 2.86Å; A142-Q146 PolarHBondContact O-N 3.2Å
143P96.6Very high95.6Very high77 Ų7761.7 Ų61.750%0.533%0.332SS..Hα-helixtrans-66.7-32.6177.125.2-34.3000113.5T139 Q140 Q146 E147T139-P143 WeakPolarHBondContact O-CD 3.11Å; Q140-P143 WeakPolarHBondContact O-CD 3.38Å; Q140-P143 WeakPolarHBondContact O-CG 3.35Å; P143-Q146 PolarHBondContact O-N 3.12Å; P143-E147 WeakPolarHBondContact O-CB 3.22Å; P143-E147 PolarHBondContact O-N 2.99Å
144I97.8Very high95.5Very high14 Ų1461.2 Ų61.27%0.07233%0.33CS..Hα-helixtrans-68.8-41.2177.5-60.5171.7000110.5L116 F128 K130 F132 Q140 L141 A142 Q146 E147 F148L116-I144 HydrophobicContact CB-CG2 4.19Å; L116-I144 HydrophobicContact CD2-CB 4.27Å; L116-I144 HydrophobicContact CD2-CG2 3.72Å; F128-I144 HydrophobicContact CE1-CG2 4.26Å; K130-I144 HydrophobicContact CB-CG2 3.59Å; K130-I144 HydrophobicContact CG-CD1 4.22Å; K130-I144 HydrophobicContact CG-CG1 4.26Å; K130-I144 HydrophobicContact CG-CG2 4Å; F132-I144 HydrophobicContact CD1-CD1 3.43Å; F132-I144 VanDerWaalsContact CD1-CD1 3.43Å; F132-I144 HydrophobicContact CE1-CD1 3.48Å; F132-I144 VanDerWaalsContact CE1-CD1 3.48Å; F132-I144 HydrophobicContact CG-CD1 4Å; F132-I144 HydrophobicContact CZ-CD1 4.08Å; Q140-I144 WeakPolarHBondContact O-CD1 3.32Å; Q140-I144 WeakPolarHBondContact O-CG1 3.36Å; L141-I144 PolarHBondContact O-N 3.49Å; L141-I144 VanDerWaalsContact O-N 3.1Å; A142-I144 PolarHBondContact O-N 2.8Å; I144-Q146 VanDerWaalsContact C-N 3.34Å; I144-E147 WeakPolarHBondContact O-CB 3.45Å; I144-E147 PolarHBondContact O-N 2.98Å; I144-F148 PolarHBondContact O-N 2.87Å
145I97Very high95.6Very high37 Ų3768.8 Ų68.819%0.1936%0.356CS..Hα-helixtrans-63.1-43.4175.1-68.7167.8000110L116 L141 A142 E147 F148 F149L116-I145 HydrophobicContact CD2-CG1 3.77Å; L141-I145 HydrophobicContact CB-CD1 4.23Å; L141-I145 VanDerWaalsContact O-CG1 3.29Å; L141-I145 WeakPolarHBondContact O-CG1 3.38Å; L141-I145 PolarHBondContact O-N 2.85Å; A142-I145 PolarHBondContact O-N 2.86Å; I145-E147 VanDerWaalsContact C-N 3.33Å; I145-E147 PolarHBondContact O-N 2.97Å; I145-F148 PolarHBondContact O-N 2.9Å; I145-F149 HydrophobicContact CG2-CD2 3.61Å; I145-F149 HydrophobicContact CG2-CE2 3.33Å; I145-F149 HydrophobicContact CG2-CZ 4.49Å; I145-F149 WeakPolarHBondContact O-CD2 3.11Å; I145-F149 PolarHBondContact O-N 2.95Å
146Q97.5Very high95.7Very high119 Ų11962.8 Ų62.856%0.55634%0.335SS*.Hα-helixtrans-63-38.8174.9-17560.444.400112.3A142 P143 I144 F149 S150A142-Q146 PolarHBondContact O-N 3.2Å; P143-Q146 PolarHBondContact O-N 3.12Å; I144-Q146 VanDerWaalsContact C-N 3.34Å; Q146-F149 PolarHBondContact O-N 2.83Å; Q146-S150 PolarHBondContact NE2-OG 3.31Å; Q146-S150 WeakPolarHBondContact O-CB 3.37Å; Q146-S150 PolarHBondContact O-N 3Å; Q146-S150 PolarHBondContact O-OG 2.82Å
147E98.4Very high96Very high82 Ų8262.4 Ų62.438%0.38334%0.342SS..Hα-helixtrans-59.3-48173.7-176.3-178.2165.300110.6F128 K130 P143 I144 I145 S150 S151F128-E147 HydrophobicContact CE2-CG 4.49Å; F128-E147 HydrophobicContact CZ-CG 4.24Å; K130-E147 IonicContact NZ-OE1 2.74Å; K130-E147 PolarHBondContact NZ-OE1 2.76Å; K130-E147 IonicContact NZ-OE2 3.41Å; K130-E147 PolarHBondContact NZ-OE2 2.93Å; P143-E147 WeakPolarHBondContact O-CB 3.22Å; P143-E147 PolarHBondContact O-N 2.99Å; I144-E147 WeakPolarHBondContact O-CB 3.45Å; I144-E147 PolarHBondContact O-N 2.98Å; I145-E147 VanDerWaalsContact C-N 3.33Å; I145-E147 PolarHBondContact O-N 2.97Å; E147-S150 CarbonylContact O-C 3.52Å; E147-S150 PolarHBondContact O-N 2.85Å; E147-S151 PolarHBondContact O-N 3.13Å; E147-S151 VanDerWaalsContact O-N 3.09Å
148F98.4Very high96.4Very high9 Ų968 Ų684%0.03937%0.365CS..Hα-helixtrans-58.5-50.6175.6169.6-108.4000112Y118 L127 F128 I144 I145 S150 S151 Y154Y118-F148 AromaticContact CD1-CD1 3.85Å; Y118-F148 HydrophobicContact CD1-CD1 3.85Å; Y118-F148 AromaticContact CD1-CE1 3.36Å; Y118-F148 HydrophobicContact CD1-CE1 3.36Å; Y118-F148 HydrophobicContact CD1-CE2 4.17Å; Y118-F148 HydrophobicContact CD1-CG 4.41Å; Y118-F148 AromaticContact CD1-CZ 3.53Å; Y118-F148 HydrophobicContact CD1-CZ 3.53Å; Y118-F148 HydrophobicContact CD2-CB 4.08Å; Y118-F148 AromaticContact CD2-CD1 3.73Å; Y118-F148 HydrophobicContact CD2-CD1 3.73Å; Y118-F148 AromaticContact CD2-CD2 3.6Å; Y118-F148 HydrophobicContact CD2-CD2 3.6Å; Y118-F148 AromaticContact CD2-CE1 3.99Å; Y118-F148 HydrophobicContact CD2-CE1 3.99Å; Y118-F148 AromaticContact CD2-CE2 3.87Å; Y118-F148 HydrophobicContact CD2-CE2 3.87Å; Y118-F148 AromaticContact CD2-CG 3.49Å; Y118-F148 HydrophobicContact CD2-CG 3.49Å; Y118-F148 VanDerWaalsContact CD2-CG 3.49Å; Y118-F148 HydrophobicContact CD2-CZ 4.04Å; Y118-F148 AromaticContact CE1-CD1 3.46Å; Y118-F148 HydrophobicContact CE1-CD1 3.46Å; Y118-F148 VanDerWaalsContact CE1-CD1 3.46Å; Y118-F148 AromaticContact CE1-CE1 3.28Å; Y118-F148 HydrophobicContact CE1-CE1 3.28Å; Y118-F148 HydrophobicContact CE1-CG 4.25Å; Y118-F148 AromaticContact CE1-CZ 3.97Å; Y118-F148 HydrophobicContact CE1-CZ 3.97Å; Y118-F148 HydrophobicContact CE2-CB 3.59Å; Y118-F148 AromaticContact CE2-CD1 3.33Å; Y118-F148 HydrophobicContact CE2-CD1 3.33Å; Y118-F148 AromaticContact CE2-CD2 3.94Å; Y118-F148 HydrophobicContact CE2-CD2 3.94Å; Y118-F148 AromaticContact CE2-CE1 3.93Å; Y118-F148 HydrophobicContact CE2-CE1 3.93Å; Y118-F148 HydrophobicContact CE2-CE2 4.47Å; Y118-F148 AromaticContact CE2-CG 3.31Å; Y118-F148 HydrophobicContact CE2-CG 3.31Å; Y118-F148 HydrophobicContact CE2-CZ 4.45Å; Y118-F148 AromaticContact CG-CD1 3.95Å; Y118-F148 HydrophobicContact CG-CD1 3.95Å; Y118-F148 AromaticContact CG-CD2 3.93Å; Y118-F148 HydrophobicContact CG-CD2 3.93Å; Y118-F148 AromaticContact CG-CE1 3.7Å; Y118-F148 HydrophobicContact CG-CE1 3.7Å; Y118-F148 AromaticContact CG-CE2 3.68Å; Y118-F148 HydrophobicContact CG-CE2 3.68Å; Y118-F148 HydrophobicContact CG-CG 4.04Å; Y118-F148 AromaticContact CG-CZ 3.54Å; Y118-F148 HydrophobicContact CG-CZ 3.54Å; Y118-F148 AromaticContact CZ-CD1 3.15Å; Y118-F148 AromaticContact CZ-CE1 3.56Å; Y118-F148 AromaticContact CZ-CG 3.7Å; L127-F148 HydrophobicContact CD2-CE2 3.91Å; L127-F148 HydrophobicContact CD2-CZ 4.05Å; L127-F148 HydrophobicContact CG-CE2 4.31Å; F128-F148 HydrophobicContact CB-CD2 3.58Å; F128-F148 HydrophobicContact CB-CE2 3.91Å; F128-F148 HydrophobicContact CD1-CB 4.05Å; F128-F148 AromaticContact CD1-CD2 3.95Å; F128-F148 HydrophobicContact CD1-CD2 3.95Å; F128-F148 HydrophobicContact CD1-CG 4.37Å; F128-F148 HydrophobicContact CD2-CD2 4.3Å; F128-F148 HydrophobicContact CE1-CB 4.06Å; F128-F148 HydrophobicContact CG-CB 4.42Å; F128-F148 AromaticContact CG-CD2 3.69Å; F128-F148 HydrophobicContact CG-CD2 3.69Å; F128-F148 HydrophobicContact CG-CG 4.5Å; F128-F148 HydrophobicContact CZ-CB 4.44Å; I144-F148 PolarHBondContact O-N 2.87Å; I145-F148 PolarHBondContact O-N 2.9Å; F148-S150 PolarHBondContact O-N 3.05Å; F148-S150 VanDerWaalsContact O-N 3.15Å; F148-S151 VanDerWaalsContact O-CB 3.23Å; F148-S151 WeakPolarHBondContact O-CB 3.46Å; F148-S151 PolarHBondContact O-N 2.97Å; F148-S151 PolarHBondContact O-OG 3.48Å; F148-Y154 HydrophobicContact CD1-CD2 4.34Å; F148-Y154 AromaticContact CE1-CD2 3.56Å; F148-Y154 HydrophobicContact CE1-CD2 3.56Å; F148-Y154 HydrophobicContact CE1-CE2 4.27Å; F148-Y154 HydrophobicContact CE1-CG 4.29Å; F148-Y154 AromaticContact CZ-CD2 3.68Å; F148-Y154 HydrophobicContact CZ-CD2 3.68Å; F148-Y154 HydrophobicContact CZ-CG 4.34Å; F148-Y154 WeakPolarHBondContact O-CB 3.46Å
149F98.3Very high97Very high92 Ų9268 Ų6840%0.40436%0.356SS..Hα-helixtrans-65.9-17.9-179.6-72.5-57.6000113.8I145 Q146 Y154I145-F149 HydrophobicContact CG2-CD2 3.61Å; I145-F149 HydrophobicContact CG2-CE2 3.33Å; I145-F149 HydrophobicContact CG2-CZ 4.49Å; I145-F149 WeakPolarHBondContact O-CD2 3.11Å; I145-F149 PolarHBondContact O-N 2.95Å; Q146-F149 PolarHBondContact O-N 2.83Å; F149-Y154 HydrophobicContact CD1-CD1 4.2Å; F149-Y154 AromaticContact CD1-CD2 3.78Å; F149-Y154 HydrophobicContact CD1-CD2 3.78Å; F149-Y154 AromaticContact CD1-CE1 3.93Å; F149-Y154 HydrophobicContact CD1-CE1 3.93Å; F149-Y154 AromaticContact CD1-CE2 3.48Å; F149-Y154 HydrophobicContact CD1-CE2 3.48Å; F149-Y154 VanDerWaalsContact CD1-CE2 3.48Å; F149-Y154 HydrophobicContact CD1-CG 4.13Å; F149-Y154 AromaticContact CD1-CZ 3.56Å; F149-Y154 HydrophobicContact CE1-CD2 4.15Å; F149-Y154 AromaticContact CE1-CE2 3.62Å; F149-Y154 HydrophobicContact CE1-CE2 3.62Å; F149-Y154 AromaticContact CE1-CZ 3.96Å; F149-Y154 VanDerWaalsContact O-CD1 3.24Å; F149-Y154 WeakPolarHBondContact O-CD1 3.27Å
150S98.4Very high97.4Very high85 Ų8565.9 Ų65.959%0.59434%0.341SS*.THydrogen-bonded Turntrans-95.70.1174.3-47.90000112.9Q146 E147 F148Q146-S150 PolarHBondContact NE2-OG 3.31Å; Q146-S150 WeakPolarHBondContact O-CB 3.37Å; Q146-S150 PolarHBondContact O-N 3Å; Q146-S150 PolarHBondContact O-OG 2.82Å; E147-S150 CarbonylContact O-C 3.52Å; E147-S150 PolarHBondContact O-N 2.85Å; F148-S150 PolarHBondContact O-N 3.05Å; F148-S150 VanDerWaalsContact O-N 3.15Å
151S98.6Very high97.5Very high18 Ų1868.3 Ų68.313%0.12636%0.362CS..SBendtrans-84.5158.2-173.374.60000113.6E147 F148 Q153 Y154 R155E147-S151 PolarHBondContact O-N 3.13Å; E147-S151 VanDerWaalsContact O-N 3.09Å; F148-S151 VanDerWaalsContact O-CB 3.23Å; F148-S151 WeakPolarHBondContact O-CB 3.46Å; F148-S151 PolarHBondContact O-N 2.97Å; F148-S151 PolarHBondContact O-OG 3.48Å; S151-Q153 VanDerWaalsContact C-N 3.26Å; S151-Q153 PolarHBondContact O-N 2.81Å; S151-Y154 PolarHBondContact O-N 2.73Å; S151-Y154 PolarHBondContact OG-N 2.98Å; S151-Y154 VanDerWaalsContact OG-N 3.09Å; S151-R155 PolarHBondContact O-N 2.89Å; S151-R155 VanDerWaalsContact O-N 3.09Å
152E98.4Very high97.6Very high86 Ų8675.4 Ų75.440%0.40240%0.4SS..Hα-helixtrans-64.7-32.2172.2-178.763.7-172.100111.8R155 T156 I160E152-R155 PolarHBondContact O-N 3.12Å; E152-R155 IonicContact OE1-CZ 2.67Å; E152-R155 IonicContact OE1-NE 3.54Å; E152-R155 PolarHBondContact OE1-NE 2.74Å; E152-R155 IonicContact OE1-NH2 3.81Å; E152-R155 PolarHBondContact OE1-NH2 2.89Å; E152-R155 IonicContact OE2-CZ 3.32Å; E152-R155 IonicContact OE2-NE 3.29Å; E152-R155 PolarHBondContact OE2-NE 2.86Å; E152-R155 IonicContact OE2-NH2 2.78Å; E152-R155 PolarHBondContact OE2-NH2 3.27Å; E152-T156 HydrophobicContact CG-CG2 4.21Å; E152-T156 WeakPolarHBondContact O-CB 3.45Å; E152-T156 WeakPolarHBondContact O-CG2 3.35Å; E152-T156 PolarHBondContact O-N 2.89Å; E152-T156 PolarHBondContact O-OG1 3.28Å; E152-T156 WeakPolarHBondContact OE1-CG2 3.15Å; E152-I160 HydrophobicContact CB-CD1 4.03Å; E152-I160 HydrophobicContact CG-CD1 4.05Å
153Q98.6Very high97.8Very high6 Ų678 Ų783%0.02840%0.401CS..Hα-helixtrans-65.2-42.2176.5-63.598.1-55.500111.7L127 S151 G157 I160L127-Q153 HydrophobicContact CD1-CB 3.81Å; L127-Q153 HydrophobicContact CG-CB 4.06Å; L127-Q153 WeakPolarHBondContact O-CG 3.4Å; S151-Q153 VanDerWaalsContact C-N 3.26Å; S151-Q153 PolarHBondContact O-N 2.81Å; Q153-G157 VanDerWaalsContact O-CA 3.22Å; Q153-G157 WeakPolarHBondContact O-CA 3.44Å; Q153-G157 PolarHBondContact O-N 3.03Å; Q153-I160 HydrophobicContact CG-CD1 4.1Å; Q153-I160 HydrophobicContact CG-CG1 4.02Å
154Y98.3Very high97.8Very high126 Ų12676.4 Ų76.449%0.49439%0.388SS..Hα-helixtrans-65.1-42.6172.1179.1-106.6000111.4F148 F149 S151 T156F148-Y154 HydrophobicContact CD1-CD2 4.34Å; F148-Y154 AromaticContact CE1-CD2 3.56Å; F148-Y154 HydrophobicContact CE1-CD2 3.56Å; F148-Y154 HydrophobicContact CE1-CE2 4.27Å; F148-Y154 HydrophobicContact CE1-CG 4.29Å; F148-Y154 AromaticContact CZ-CD2 3.68Å; F148-Y154 HydrophobicContact CZ-CD2 3.68Å; F148-Y154 HydrophobicContact CZ-CG 4.34Å; F148-Y154 WeakPolarHBondContact O-CB 3.46Å; F149-Y154 HydrophobicContact CD1-CD1 4.2Å; F149-Y154 AromaticContact CD1-CD2 3.78Å; F149-Y154 HydrophobicContact CD1-CD2 3.78Å; F149-Y154 AromaticContact CD1-CE1 3.93Å; F149-Y154 HydrophobicContact CD1-CE1 3.93Å; F149-Y154 AromaticContact CD1-CE2 3.48Å; F149-Y154 HydrophobicContact CD1-CE2 3.48Å; F149-Y154 VanDerWaalsContact CD1-CE2 3.48Å; F149-Y154 HydrophobicContact CD1-CG 4.13Å; F149-Y154 AromaticContact CD1-CZ 3.56Å; F149-Y154 HydrophobicContact CE1-CD2 4.15Å; F149-Y154 AromaticContact CE1-CE2 3.62Å; F149-Y154 HydrophobicContact CE1-CE2 3.62Å; F149-Y154 AromaticContact CE1-CZ 3.96Å; F149-Y154 VanDerWaalsContact O-CD1 3.24Å; F149-Y154 WeakPolarHBondContact O-CD1 3.27Å; S151-Y154 PolarHBondContact O-N 2.73Å; S151-Y154 PolarHBondContact OG-N 2.98Å; S151-Y154 VanDerWaalsContact OG-N 3.09Å; Y154-T156 VanDerWaalsContact C-N 3.34Å; Y154-T156 PolarHBondContact O-N 3.05Å
155R98.3Very high97.7Very high174 Ų17479.8 Ų79.866%0.65741%0.406SS*.Hα-helixtrans-62-38.3179.2-165.4-168.171.576.9-3.8113.2S151 E152S151-R155 PolarHBondContact O-N 2.89Å; S151-R155 VanDerWaalsContact O-N 3.09Å; E152-R155 PolarHBondContact O-N 3.12Å; E152-R155 IonicContact OE1-CZ 2.67Å; E152-R155 IonicContact OE1-NE 3.54Å; E152-R155 PolarHBondContact OE1-NE 2.74Å; E152-R155 IonicContact OE1-NH2 3.81Å; E152-R155 PolarHBondContact OE1-NH2 2.89Å; E152-R155 IonicContact OE2-CZ 3.32Å; E152-R155 IonicContact OE2-NE 3.29Å; E152-R155 PolarHBondContact OE2-NE 2.86Å; E152-R155 IonicContact OE2-NH2 2.78Å; E152-R155 PolarHBondContact OE2-NH2 3.27Å
156T98Very high97.5Very high53 Ų5388.2 Ų88.233%0.32544%0.442SS..Hα-helixtrans-101.5-18.9-173.6600000114E152 Y154 K158E152-T156 HydrophobicContact CG-CG2 4.21Å; E152-T156 WeakPolarHBondContact O-CB 3.45Å; E152-T156 WeakPolarHBondContact O-CG2 3.35Å; E152-T156 PolarHBondContact O-N 2.89Å; E152-T156 PolarHBondContact O-OG1 3.28Å; E152-T156 WeakPolarHBondContact OE1-CG2 3.15Å; Y154-T156 VanDerWaalsContact C-N 3.34Å; Y154-T156 PolarHBondContact O-N 3.05Å; T156-K158 PolarHBondContact O-N 2.97Å; T156-K158 PolarHBondContact OG1-N 2.86Å
157G97.8Very high97.4Very high38 Ų3890.1 Ų90.139%0.39245%0.45SS..SBendtrans65.717-169.700000113.7Q153Q153-G157 VanDerWaalsContact O-CA 3.22Å; Q153-G157 WeakPolarHBondContact O-CA 3.44Å; Q153-G157 PolarHBondContact O-N 3.03Å
158K98.3Very high97.4Very high146 Ų14688.1 Ų88.164%0.63544%0.444SS*.  trans-120139.1-176.1-67.6-175.2-179.6-177.30111.8L127 T156L127-K158 WeakPolarHBondContact CD1-O 3.18Å; T156-K158 PolarHBondContact O-N 2.97Å; T156-K158 PolarHBondContact OG1-N 2.86Å
159P98.1Very high97.3Very high48 Ų4890.7 Ų90.731%0.31246%0.462SS..  trans-63.1149.7171.8-19.931.5000112V120 V126 L164V120-P159 HydrophobicContact CG2-CG 3.61Å; V126-P159 WeakPolarHBondContact O-CB 3.32Å; V126-P159 WeakPolarHBondContact O-CG 3.5Å; P159-L164 HydrophobicContact CB-CD1 4.18Å
160I98.1Very high97.3Very high48 Ų4887 Ų8725%0.24645%0.446CS..  trans-108.7103.2166.4-61.1173.1000106.5E152 Q153 D162 Q163E152-I160 HydrophobicContact CB-CD1 4.03Å; E152-I160 HydrophobicContact CG-CD1 4.05Å; Q153-I160 HydrophobicContact CG-CD1 4.1Å; Q153-I160 HydrophobicContact CG-CG1 4.02Å; I160-D162 VanDerWaalsContact C-N 3.27Å; I160-D162 PolarHBondContact O-N 3.12Å; I160-D162 VanDerWaalsContact O-N 3.16Å; I160-Q163 HydrophobicContact CB-CB 4.33Å; I160-Q163 HydrophobicContact CB-CG 4.2Å; I160-Q163 HydrophobicContact CG2-CB 4.37Å; I160-Q163 HydrophobicContact CG2-CG 3.84Å; I160-Q163 PolarHBondContact O-N 2.92Å
161P95.9Very high97.2Very high103 Ų10386.5 Ų86.567%0.66944%0.441SS*.G310 helixtrans-54.1-39.4-169.9-30.136.1000114.6Q163 L164P161-Q163 PolarHBondContact O-N 2.91Å; P161-L164 PolarHBondContact O-N 2.65Å
162D96.9Very high97.2Very high163 Ų16388 Ų8887%0.87245%0.447SS*.G310 helixtrans-69.7-12.2-179.2-63.3-28.1000113.9I160I160-D162 VanDerWaalsContact C-N 3.27Å; I160-D162 PolarHBondContact O-N 3.12Å; I160-D162 VanDerWaalsContact O-N 3.16Å
163Q96.3Very high97.2Very high114 Ų11484.7 Ų84.753%0.53343%0.433SS..G310 helixtrans-97.8-5.3176.5-64.6-172.411.900113.4I160 P161I160-Q163 HydrophobicContact CB-CB 4.33Å; I160-Q163 HydrophobicContact CB-CG 4.2Å; I160-Q163 HydrophobicContact CG2-CB 4.37Å; I160-Q163 HydrophobicContact CG2-CG 3.84Å; I160-Q163 PolarHBondContact O-N 2.92Å; P161-Q163 PolarHBondContact O-N 2.91Å
164L96.9Very high97.1Very high43 Ų4389.6 Ų89.623%0.22546%0.464CS..SBendtrans-94.1148.9176.4-60.6-179.2000110.5V126 E129 P159 P161V126-L164 HydrophobicContact CB-CD1 4.26Å; V126-L164 HydrophobicContact CB-CD2 4.21Å; V126-L164 HydrophobicContact CG1-CD2 3.68Å; V126-L164 WeakPolarHBondContact O-CD1 3.27Å; E129-L164 HydrophobicContact CG-CD2 4.21Å; P159-L164 HydrophobicContact CB-CD1 4.18Å; P161-L164 PolarHBondContact O-N 2.65Å
165L95.7Very high97Very high86 Ų8687.4 Ų87.445%0.4546%0.455SS..  trans-71.9142.4169-62.5-175.6000109.4E129 W131 E167E129-L165 PolarHBondContact OE1-N 3.08Å; W131-L165 VanDerWaalsContact CD1-CD1 3.43Å; W131-L165 HydrophobicContact CG-CD1 4.21Å; L165-E167 WeakPolarHBondContact CB-O 3.37Å; L165-E167 PolarHBondContact O-N 3.03Å
166K93.2Very high97Very high214 Ų21482.8 Ų82.893%0.9345%0.449SS*.SBendtrans-61.2-39.1172.6-68.3-173.6178.2-178.60111.4
167E95.6Very high97Very high158 Ų15880.7 Ų80.774%0.73844%0.436SS*.SBendtrans-143147.4178.2-65.9-179.9-169.700108.8L165L165-E167 WeakPolarHBondContact CB-O 3.37Å; L165-E167 PolarHBondContact O-N 3.03Å
168P97.1Very high97Very high40 Ų4080.7 Ų80.726%0.2643%0.426SS..  trans-62155.9173.128.8-35.5000111.1W131 F170 L172W131-P168 HydrophobicContact CH2-CB 4.06Å; W131-P168 HydrophobicContact CZ2-CB 3.9Å; P168-F170 VanDerWaalsContact CB-O 3.28Å; P168-F170 WeakPolarHBondContact CB-O 3.42Å; P168-F170 WeakPolarHBondContact CG-O 3.27Å; P168-F170 PolarHBondContact O-N 3.35Å; P168-L172 HydrophobicContact CG-CG 4.35Å
169P97.6Very high97Very high64 Ų6479.7 Ų79.742%0.41642%0.423SS..SBendtrans-61.7-17.9179.125.9-33.9000113.5L113 W131L113-P169 HydrophobicContact CB-CG 4.49Å; L113-P169 HydrophobicContact CD1-CB 3.79Å; L113-P169 HydrophobicContact CD1-CG 4.04Å; W131-P169 HydrophobicContact CD2-CG 3.66Å; W131-P169 VanDerWaalsContact CE2-CD 3.49Å; W131-P169 HydrophobicContact CE3-CG 3.35Å; W131-P169 HydrophobicContact CG-CG 4.36Å; W131-P169 HydrophobicContact CH2-CG 3.99Å; W131-P169 VanDerWaalsContact CZ2-CD 3.49Å; W131-P169 HydrophobicContact CZ2-CG 4.26Å; W131-P169 HydrophobicContact CZ3-CG 3.53Å
170F97.1Very high97.1Very high14 Ų1478.2 Ų78.26%0.06141%0.414CS..SBendtrans-143.715317046.1-103.6000110.1I48 E50 R88 L113 W131 P168 L172I48-F170 HydrophobicContact CG2-CE2 3.71Å; I48-F170 HydrophobicContact CG2-CZ 3.95Å; E50-F170 VanDerWaalsContact CD-CD1 3.47Å; E50-F170 HydrophobicContact CG-CD1 3.54Å; E50-F170 HydrophobicContact CG-CE1 3.26Å; E50-F170 HydrophobicContact CG-CE2 4.32Å; E50-F170 HydrophobicContact CG-CG 4.16Å; E50-F170 HydrophobicContact CG-CZ 3.67Å; E50-F170 WeakPolarHBondContact OE1-CD1 3.24Å; E50-F170 WeakPolarHBondContact OE1-CE1 3.41Å; R88-F170 HydrophobicContact CB-CD2 4.04Å; R88-F170 HydrophobicContact CB-CE2 3.85Å; R88-F170 HydrophobicContact CG-CD2 3.57Å; R88-F170 HydrophobicContact CG-CE2 3.48Å; R88-F170 VanDerWaalsContact CG-CE2 3.48Å; R88-F170 HydrophobicContact CG-CG 4.4Å; R88-F170 HydrophobicContact CG-CZ 4.23Å; L113-F170 HydrophobicContact CB-CE1 4.27Å; L113-F170 VanDerWaalsContact O-CE1 3.31Å; L113-F170 WeakPolarHBondContact O-CE1 3.47Å; W131-F170 HydrophobicContact CH2-CE2 4.29Å; W131-F170 HydrophobicContact CH2-CZ 4.11Å; W131-F170 AromaticContact CZ3-CE1 3.83Å; W131-F170 HydrophobicContact CZ3-CE1 3.83Å; W131-F170 HydrophobicContact CZ3-CE2 4.14Å; W131-F170 AromaticContact CZ3-CZ 3.5Å; W131-F170 HydrophobicContact CZ3-CZ 3.5Å; P168-F170 VanDerWaalsContact CB-O 3.28Å; P168-F170 WeakPolarHBondContact CB-O 3.42Å; P168-F170 WeakPolarHBondContact CG-O 3.27Å; P168-F170 PolarHBondContact O-N 3.35Å; F170-L172 HydrophobicContact CE2-CD2 4.41Å; F170-L172 PolarHBondContact O-N 3.23Å
171P97.4Very high97.1Very high74 Ų7478.1 Ų78.148%0.48141%0.413SS..PPolyproline II helixtrans-56.7130.4171.7-2836.4000111.9R88 L285R88-P171 WeakPolarHBondContact CD-O 3.35Å; P171-L285 HydrophobicContact CB-CD1 3.75Å; P171-L285 HydrophobicContact CB-CD2 4Å; P171-L285 HydrophobicContact CG-CD1 3.48Å; P171-L285 VanDerWaalsContact CG-CD1 3.48Å
172L97.9Very high97.2Very high49 Ų4975.4 Ų75.426%0.25740%0.397SS..PPolyproline II helixtrans-67.8152.7171.2-58.8-177.4000110.2I48 P90 P168 F170 T174I48-L172 HydrophobicContact CD1-CD2 4.15Å; I48-L172 HydrophobicContact CG2-CD2 3.89Å; P90-L172 HydrophobicContact CG-CD1 4Å; P90-L172 HydrophobicContact CG-CD2 4.36Å; P168-L172 HydrophobicContact CG-CG 4.35Å; F170-L172 HydrophobicContact CE2-CD2 4.41Å; F170-L172 PolarHBondContact O-N 3.23Å; L172-T174 PolarHBondContact O-N 3.14Å
173S97.6Very high97.3Very high17 Ų1768 Ų6812%0.11936%0.357CS..PPolyproline II helixtrans-61.8136.5-179.7-175.30000112.3A87 R88 R175A87-S173 WeakPolarHBondContact O-CB 3.44Å; R88-S173 PolarHBondContact O-N 2.68Å; S173-R175 PolarHBondContact OG-N 3.01Å
174T97.1Very high97.4Very high109 Ų10969.3 Ų69.367%0.66936%0.363SS*.  trans-107.54.8170.756.50000112.2Q69 L172Q69-T174 WeakPolarHBondContact CG-O 3.42Å; Q69-T174 PolarHBondContact NE2-O 2.77Å; L172-T174 PolarHBondContact O-N 3.14Å
175R96.9Very high97.5Very high81 Ų8170 Ų7031%0.30638%0.375SS..PPolyproline II helixtrans-67.5144.3177.9-63.6-179.167.9160.31.2110S173 T206S173-R175 PolarHBondContact OG-N 3.01Å; R175-T206 PolarHBondContact NH1-O 3.47Å; R175-T206 PolarHBondContact NH2-O 2.77Å; R175-T206 PolarHBondContact NH2-OG1 3.01Å
176S97.4Very high97.7Very high76 Ų7667.7 Ų67.753%0.53136%0.36SS..PPolyproline II helixtrans-67.8147.4160.3570000109.7E68E68-S176 VanDerWaalsContact OE1-CA 3.28Å; E68-S176 WeakPolarHBondContact OE1-CA 3.49Å
177I98Very high97.9Very high10 Ų1057.8 Ų57.85%0.05132%0.318CS..PPolyproline II helixtrans-95.9136.7-177.9-55.5-55.1000108.7V66 E68 V75 F83 L85 P86 V89V66-I177 HydrophobicContact CG2-CG1 4.36Å; E68-I177 HydrophobicContact CB-CG1 4.05Å; E68-I177 HydrophobicContact CG-CG1 3.97Å; E68-I177 PolarHBondContact OE1-N 2.92Å; V75-I177 HydrophobicContact CG2-CG2 4.34Å; F83-I177 HydrophobicContact CE2-CG2 3.53Å; F83-I177 HydrophobicContact CZ-CG2 3.39Å; L85-I177 HydrophobicContact CD1-CD1 4.45Å; P86-I177 HydrophobicContact CG-CD1 3.82Å; V89-I177 HydrophobicContact CB-CD1 4.44Å; V89-I177 HydrophobicContact CG1-CD1 4.01Å; V89-I177 HydrophobicContact CG2-CD1 3.65Å
178M98.3Very high98.1Very high38 Ų3854.2 Ų54.219%0.18730%0.303CS..PPolyproline II helixtrans-66.2161.6179.166.5178.769.700111.9F83 L84 F203 Y207F83-M178 HydrophobicContact CD2-CG 3.69Å; F83-M178 HydrophobicContact CD2-SD 4.39Å; F83-M178 HydrophobicContact CE2-CG 3.6Å; F83-M178 WeakPolarHBondContact CE2-O 3.19Å; L84-M178 HydrophobicContact CB-CE 3.84Å; L84-M178 HydrophobicContact CB-SD 4.11Å; L84-M178 HydrophobicContact CG-CE 4.44Å; M178-F203 HydrophobicContact CE-CD1 3.82Å; M178-F203 HydrophobicContact CE-CE1 4.43Å; M178-F203 HydrophobicContact CE-CG 4.37Å; M178-F203 HydrophobicContact SD-CD1 3.72Å; M178-F203 HydrophobicContact SD-CE1 3.78Å; M178-Y207 HydrophobicContact CE-CD2 4.46Å; M178-Y207 HydrophobicContact CE-CE1 3.98Å; M178-Y207 HydrophobicContact CE-CE2 3.59Å; M178-Y207 WeakPolarHBondContact CE-OH 3.46Å
179E98.7Very high98.2Very high124 Ų12456.4 Ų56.458%0.57932%0.32SS*.PPolyproline II helixtrans-80.5140.5163.2-63-56.6147.300109.4R73R73-E179 IonicContact CZ-OE1 3.15Å; R73-E179 VanDerWaalsContact CZ-OE1 3.26Å; R73-E179 IonicContact NH1-OE1 3.44Å; R73-E179 PolarHBondContact NH1-OE1 2.58Å; R73-E179 IonicContact NH2-OE1 3.34Å; R73-E179 PolarHBondContact NH2-OE1 3.32Å; R73-E179 IonicContact NH2-OE2 3.52Å; R73-E179 PolarHBondContact NH2-OE2 2.67Å; R73-E179 VanDerWaalsContact NH2-OE2 3.12Å
180P98.8Very high98.2Very high18 Ų1855.7 Ų55.712%0.11731%0.311CS..PPolyproline II helixtrans-56.8147.1167.5-25.137.1000111V75 V76 I77 E81 F83V75-P180 HydrophobicContact CG1-CG 3.51Å; V76-P180 WeakPolarHBondContact O-CG 3.43Å; I77-P180 HydrophobicContact CB-CG 4.43Å; I77-P180 HydrophobicContact CG1-CB 4.41Å; I77-P180 HydrophobicContact CG1-CG 3.81Å; I77-P180 HydrophobicContact CG2-CB 4.39Å; E81-P180 HydrophobicContact CB-CB 4.04Å; E81-P180 WeakPolarHBondContact OE2-CB 3.39Å; F83-P180 HydrophobicContact CB-CB 4.16Å; F83-P180 HydrophobicContact CB-CG 4.15Å; F83-P180 HydrophobicContact CD2-CG 3.89Å; F83-P180 HydrophobicContact CG-CG 4.24Å
181M98.7Very high98.3Very high46 Ų4658.4 Ų58.423%0.22732%0.321CS..EExtended strand (participates in β ladder)trans-127.7142.7179.869.4-178.7-172.500111.3E81 I82 L183 W186 L202 F203E81-M181 CarbonylContact C-O 3.43Å; E81-M181 WeakPolarHBondContact CA-O 3.43Å; I82-M181 HydrophobicContact CG2-CE 3.88Å; I82-M181 HydrophobicContact CG2-CG 3.91Å; I82-M181 PolarHBondContact N-O 2.82Å; I82-M181 PolarHBondContact O-N 3.35Å; I82-M181 VanDerWaalsContact O-N 3.08Å; M181-L183 PolarHBondContact O-N 3.42Å; M181-W186 HydrophobicContact CE-CB 4.34Å; M181-W186 HydrophobicContact CE-CD2 4.22Å; M181-W186 HydrophobicContact CE-CG 3.82Å; M181-W186 HydrophobicContact SD-CB 4.34Å; M181-W186 HydrophobicContact SD-CG 4Å; M181-L202 HydrophobicContact CE-CB 3.83Å; M181-L202 HydrophobicContact CE-CD2 3.81Å; M181-L202 HydrophobicContact CE-CG 3.82Å; M181-F203 HydrophobicContact CE-CE1 4.02Å
182S98.9Very high98.3Very high46 Ų4665.9 Ų65.932%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-61.6119171.6169.30000109.6E184 A185 W186S182-E184 VanDerWaalsContact C-N 3.33Å; S182-A185 PolarHBondContact O-N 3.47Å; S182-A185 PolarHBondContact OG-N 3.01Å; S182-W186 WeakPolarHBondContact O-CB 3.29Å; S182-W186 PolarHBondContact O-N 2.9Å
183L98.8Very high98.3Very high6 Ų668.4 Ų68.43%0.03135%0.35CS..Hα-helixtrans-63.3-42.6179.1177.760.6000110.8Y56 G80 I82 M181 W186 L187 L202 L233 L273Y56-L183 HydrophobicContact CD2-CD2 4.13Å; Y56-L183 HydrophobicContact CE2-CB 4.08Å; Y56-L183 HydrophobicContact CE2-CD2 3.7Å; G80-L183 WeakPolarHBondContact O-CB 3.1Å; G80-L183 PolarHBondContact O-N 3.04Å; I82-L183 HydrophobicContact CG2-CB 4.35Å; I82-L183 HydrophobicContact CG2-CD1 4.37Å; M181-L183 PolarHBondContact O-N 3.42Å; L183-W186 PolarHBondContact O-N 3.42Å; L183-L187 HydrophobicContact CD1-CD1 3.91Å; L183-L187 HydrophobicContact CD1-CG 4.06Å; L183-L187 HydrophobicContact CG-CD1 3.82Å; L183-L187 HydrophobicContact CG-CG 4.4Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 2.78Å; L183-L202 HydrophobicContact CD1-CD2 3.8Å; L183-L233 HydrophobicContact CD2-CD1 4.18Å; L183-L273 HydrophobicContact CD1-CD1 4.25Å; L183-L273 HydrophobicContact CD2-CD1 4.05Å
184E98.6Very high98.3Very high142 Ų14267.6 Ų67.666%0.66434%0.344SS*.Hα-helixtrans-59.6-51.4177.2-177.8178.3-164.100111.4S182 W186 L187 D188S182-E184 VanDerWaalsContact C-N 3.33Å; E184-W186 VanDerWaalsContact C-N 3.3Å; E184-W186 PolarHBondContact O-N 3.34Å; E184-L187 PolarHBondContact O-N 3.29Å; E184-D188 WeakPolarHBondContact O-CB 3.34Å; E184-D188 PolarHBondContact O-N 2.78Å
185A98.8Very high98.4Very high58 Ų5864 Ų6448%0.47932%0.32SS..Hα-helixtrans-62.4-38.8-179.500000112.2S182 S189S182-A185 PolarHBondContact O-N 3.47Å; S182-A185 PolarHBondContact OG-N 3.01Å; A185-S189 PolarHBondContact O-N 2.88Å; A185-S189 PolarHBondContact O-OG 3.1Å
186W98.8Very high98.4Very high37 Ų3764.2 Ų64.214%0.1434%0.338CS..Hα-helixtrans-66.6-43.6176.4-172.498.4000111.7M181 S182 L183 E184 D188 S189 H190 L200 L202 A213M181-W186 HydrophobicContact CE-CB 4.34Å; M181-W186 HydrophobicContact CE-CD2 4.22Å; M181-W186 HydrophobicContact CE-CG 3.82Å; M181-W186 HydrophobicContact SD-CB 4.34Å; M181-W186 HydrophobicContact SD-CG 4Å; S182-W186 WeakPolarHBondContact O-CB 3.29Å; S182-W186 PolarHBondContact O-N 2.9Å; L183-W186 PolarHBondContact O-N 3.42Å; E184-W186 VanDerWaalsContact C-N 3.3Å; E184-W186 PolarHBondContact O-N 3.34Å; W186-D188 VanDerWaalsContact C-N 3.34Å; W186-D188 PolarHBondContact O-N 2.85Å; W186-S189 PolarHBondContact O-N 2.86Å; W186-S189 PolarHBondContact O-OG 3.07Å; W186-H190 AromaticContact CD1-CE1 3.85Å; W186-H190 AromaticContact CD2-CE1 3.98Å; W186-H190 AromaticContact CD2-ND1 3.61Å; W186-H190 AromaticContact CE2-CE1 3.54Å; W186-H190 AromaticContact CE2-ND1 3.56Å; W186-H190 AromaticContact CG-ND1 3.98Å; W186-H190 AromaticContact CZ2-CE1 3.98Å; W186-H190 AromaticContact CZ2-ND1 3.93Å; W186-H190 AromaticContact NE1-CE1 3.47Å; W186-H190 PolarHBondContact NE1-CE1 3.41Å; W186-H190 AromaticContact NE1-ND1 3.89Å; W186-H190 PolarHBondContact O-N 3.09Å; W186-H190 PolarHBondContact O-ND1 3.3Å; W186-L200 HydrophobicContact CH2-CB 3.8Å; W186-L200 HydrophobicContact CZ2-CB 4.49Å; W186-L202 HydrophobicContact CD2-CG 4.23Å; W186-L202 HydrophobicContact CE3-CD1 4.13Å; W186-L202 HydrophobicContact CE3-CG 4.05Å; W186-L202 HydrophobicContact CH2-CD1 3.58Å; W186-L202 HydrophobicContact CH2-CG 3.93Å; W186-L202 HydrophobicContact CZ2-CD1 4.22Å; W186-L202 HydrophobicContact CZ2-CG 4.09Å; W186-L202 HydrophobicContact CZ3-CD1 3.54Å; W186-L202 HydrophobicContact CZ3-CG 3.91Å; W186-A213 HydrophobicContact CH2-CB 4.24Å; W186-A213 HydrophobicContact CZ3-CB 3.73Å
187L98.7Very high98.3Very high7 Ų762.5 Ų62.54%0.03733%0.333CS..Hα-helixtrans-64-40.9177.2-71.5169000111.3L183 E184 H190 R191 L194 A213 L233 V271L183-L187 HydrophobicContact CD1-CD1 3.91Å; L183-L187 HydrophobicContact CD1-CG 4.06Å; L183-L187 HydrophobicContact CG-CD1 3.82Å; L183-L187 HydrophobicContact CG-CG 4.4Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 2.78Å; E184-L187 PolarHBondContact O-N 3.29Å; L187-H190 CarbonylContact O-C 3.43Å; L187-H190 PolarHBondContact O-N 3.44Å; L187-R191 WeakPolarHBondContact O-CA 3.25Å; L187-R191 WeakPolarHBondContact O-CB 3.19Å; L187-R191 PolarHBondContact O-N 3.49Å; L187-L194 HydrophobicContact CD2-CD1 3.99Å; L187-A213 HydrophobicContact CD2-CB 3.84Å; L187-L233 HydrophobicContact CD1-CD1 3.57Å; L187-V271 HydrophobicContact CD1-CG1 4.04Å; L187-V271 HydrophobicContact CD2-CG1 3.76Å; L187-V271 HydrophobicContact CG-CG1 4.4Å
188D98.6Very high98.3Very high82 Ų8264.1 Ų64.144%0.43935%0.348SS..Hα-helixtrans-65.7-40.6178-84.2-10.4000112.8E184 W186 H190 R191E184-D188 WeakPolarHBondContact O-CB 3.34Å; E184-D188 PolarHBondContact O-N 2.78Å; W186-D188 VanDerWaalsContact C-N 3.34Å; W186-D188 PolarHBondContact O-N 2.85Å; D188-H190 PolarHBondContact O-N 3.36Å; D188-R191 WeakPolarHBondContact O-CB 3.46Å; D188-R191 PolarHBondContact O-N 2.76Å; D188-R191 IonicContact OD1-CZ 3.49Å; D188-R191 VanDerWaalsContact OD1-CZ 3.32Å; D188-R191 IonicContact OD1-NE 3.78Å; D188-R191 PolarHBondContact OD1-NE 2.85Å; D188-R191 IonicContact OD1-NH2 2.79Å; D188-R191 PolarHBondContact OD1-NH2 2.81Å
189S98.6Very high98.3Very high86 Ų8665.3 Ų65.360%0.60136%0.359SS*.Hα-helixtrans-65.3-26.8177.269.30000112.8A185 W186A185-S189 PolarHBondContact O-N 2.88Å; A185-S189 PolarHBondContact O-OG 3.1Å; W186-S189 PolarHBondContact O-N 2.86Å; W186-S189 PolarHBondContact O-OG 3.07Å
190H98.6Very high98.3Very high50 Ų5061.2 Ų61.223%0.23134%0.34CS..Hα-helixtrans-1054-179.6-60.191.7000113.8W186 L187 D188 R192 E193 L194 L200W186-H190 AromaticContact CD1-CE1 3.85Å; W186-H190 AromaticContact CD2-CE1 3.98Å; W186-H190 AromaticContact CD2-ND1 3.61Å; W186-H190 AromaticContact CE2-CE1 3.54Å; W186-H190 AromaticContact CE2-ND1 3.56Å; W186-H190 AromaticContact CG-ND1 3.98Å; W186-H190 AromaticContact CZ2-CE1 3.98Å; W186-H190 AromaticContact CZ2-ND1 3.93Å; W186-H190 AromaticContact NE1-CE1 3.47Å; W186-H190 PolarHBondContact NE1-CE1 3.41Å; W186-H190 AromaticContact NE1-ND1 3.89Å; W186-H190 PolarHBondContact O-N 3.09Å; W186-H190 PolarHBondContact O-ND1 3.3Å; L187-H190 CarbonylContact O-C 3.43Å; L187-H190 PolarHBondContact O-N 3.44Å; D188-H190 PolarHBondContact O-N 3.36Å; H190-R192 PolarHBondContact O-N 2.94Å; H190-R192 VanDerWaalsContact O-N 3.1Å; H190-E193 PolarHBondContact O-N 3.35Å; H190-L194 HydrophobicContact CB-CD1 4.41Å; H190-L194 HydrophobicContact CB-CG 4.45Å; H190-L194 WeakPolarHBondContact O-CG 3.34Å; H190-L194 PolarHBondContact O-N 3.32Å; H190-L200 HydrophobicContact CB-CD1 3.67Å
191R98.3Very high98.2Very high70 Ų7062.1 Ų62.126%0.26435%0.347SS..Hα-helixtrans-55.3-37.6-171.2-171.1171.4-72.2-89.51.9113L187 D188 Q195 E234L187-R191 WeakPolarHBondContact O-CA 3.25Å; L187-R191 WeakPolarHBondContact O-CB 3.19Å; L187-R191 PolarHBondContact O-N 3.49Å; D188-R191 WeakPolarHBondContact O-CB 3.46Å; D188-R191 PolarHBondContact O-N 2.76Å; D188-R191 IonicContact OD1-CZ 3.49Å; D188-R191 VanDerWaalsContact OD1-CZ 3.32Å; D188-R191 IonicContact OD1-NE 3.78Å; D188-R191 PolarHBondContact OD1-NE 2.85Å; D188-R191 IonicContact OD1-NH2 2.79Å; D188-R191 PolarHBondContact OD1-NH2 2.81Å; R191-Q195 HydrophobicContact CG-CG 4.28Å; R191-Q195 WeakPolarHBondContact O-CB 3.35Å; R191-Q195 VanDerWaalsContact O-CG 3.24Å; R191-Q195 WeakPolarHBondContact O-CG 3.3Å; R191-Q195 PolarHBondContact O-N 2.95Å; R191-E234 IonicContact CZ-OE1 2.98Å; R191-E234 IonicContact CZ-OE2 3.32Å; R191-E234 IonicContact NH1-OE1 3.75Å; R191-E234 IonicContact NH1-OE2 3.58Å; R191-E234 PolarHBondContact NH1-OE2 3Å; R191-E234 IonicContact NH2-OE1 2.88Å; R191-E234 PolarHBondContact NH2-OE1 2.69Å; R191-E234 IonicContact NH2-OE2 3.43Å; R191-E234 PolarHBondContact NH2-OE2 2.73Å
192R98.2Very high98.2Very high231 Ų23160.7 Ų60.787%0.87234%0.34SS*.Hα-helixtrans-63.9-44.2178.7-69.4-176.5-175.9167.32.6112.6H190 A196H190-R192 PolarHBondContact O-N 2.94Å; H190-R192 VanDerWaalsContact O-N 3.1Å; R192-A196 WeakPolarHBondContact O-CB 3.28Å; R192-A196 PolarHBondContact O-N 3.06Å
193E98.3Very high98.2Very high103 Ų10359.5 Ų59.548%0.48133%0.33SS..Hα-helixtrans-68.8-44.1179.9-68.1175.4-146.300110.8H190 Q195 A196 G197 A198 L200H190-E193 PolarHBondContact O-N 3.35Å; E193-Q195 PolarHBondContact O-N 2.84Å; E193-A196 WeakPolarHBondContact O-CA 3.45Å; E193-A196 WeakPolarHBondContact O-CB 2.98Å; E193-A196 PolarHBondContact O-N 3.36Å; E193-G197 PolarHBondContact O-N 2.92Å; E193-A198 PolarHBondContact O-N 3.46Å; E193-L200 HydrophobicContact CB-CD1 4.06Å
194L98.4Very high98.1Very high0 Ų060.5 Ų60.50%034%0.341CS..Hα-helixtrans-58-47.6175.2-66.6174.9000111.4L187 H190 A196 G197 L200 A213 G215L187-L194 HydrophobicContact CD2-CD1 3.99Å; H190-L194 HydrophobicContact CB-CD1 4.41Å; H190-L194 HydrophobicContact CB-CG 4.45Å; H190-L194 WeakPolarHBondContact O-CG 3.34Å; H190-L194 PolarHBondContact O-N 3.32Å; L194-A196 VanDerWaalsContact C-N 3.25Å; L194-A196 PolarHBondContact O-N 2.78Å; L194-G197 PolarHBondContact O-N 2.82Å; L194-L200 HydrophobicContact CD2-CB 4.2Å; L194-L200 HydrophobicContact CD2-CD1 4.06Å; L194-L200 HydrophobicContact CD2-CG 4.14Å; L194-L200 HydrophobicContact CG-CD1 4.28Å; L194-A213 HydrophobicContact CD1-CB 4.18Å; L194-A213 HydrophobicContact CD2-CB 3.79Å; L194-A213 WeakPolarHBondContact CD2-O 3.43Å; L194-G215 VanDerWaalsContact O-CA 3.28Å; L194-G215 WeakPolarHBondContact O-CA 3.36Å
195Q98.1Very high97.9Very high34 Ų3460 Ų6016%0.15934%0.343CS..Hα-helixtrans-73.5-15178.3-62.6-52.9-46.800113.4R191 E193 G197 Q216 G269 S270R191-Q195 HydrophobicContact CG-CG 4.28Å; R191-Q195 WeakPolarHBondContact O-CB 3.35Å; R191-Q195 VanDerWaalsContact O-CG 3.24Å; R191-Q195 WeakPolarHBondContact O-CG 3.3Å; R191-Q195 PolarHBondContact O-N 2.95Å; E193-Q195 PolarHBondContact O-N 2.84Å; Q195-G197 PolarHBondContact O-N 2.76Å; Q195-Q216 VanDerWaalsContact O-CG 3.24Å; Q195-Q216 WeakPolarHBondContact O-CG 3.5Å; Q195-Q216 PolarHBondContact O-NE2 3.35Å; Q195-G269 VanDerWaalsContact OE1-CA 3.31Å; Q195-G269 VanDerWaalsContact OE1-N 3.07Å; Q195-S270 PolarHBondContact NE2-O 3.08Å
196A97.6Very high97.8Very high84 Ų8461 Ų6169%0.69434%0.344SS*.THydrogen-bonded Turntrans-77.9-0.8167.600000112.7R192 E193 L194R192-A196 WeakPolarHBondContact O-CB 3.28Å; R192-A196 PolarHBondContact O-N 3.06Å; E193-A196 WeakPolarHBondContact O-CA 3.45Å; E193-A196 WeakPolarHBondContact O-CB 2.98Å; E193-A196 PolarHBondContact O-N 3.36Å; L194-A196 VanDerWaalsContact C-N 3.25Å; L194-A196 PolarHBondContact O-N 2.78Å
197G95.4Very high97.8Very high41 Ų4160.2 Ų60.242%0.42334%0.341SS..THydrogen-bonded Turntrans88.513.3177.700000114.2E193 L194 Q195 P199E193-G197 PolarHBondContact O-N 2.92Å; L194-G197 PolarHBondContact O-N 2.82Å; Q195-G197 PolarHBondContact O-N 2.76Å; G197-P199 WeakPolarHBondContact O-CD 3.48Å
198A96.8Very high97.8Very high44 Ų4460.1 Ų60.136%0.36434%0.34SS..  trans-92.411317600000110.5E193E193-A198 PolarHBondContact O-N 3.46Å
199P98.1Very high97.8Very high63 Ų6356.2 Ų56.241%0.40932%0.319SS..  trans-69.6144.6171.3-16.131.9000111G197 T212 A213 Y214G197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-T212 HydrophobicContact CB-CG2 3.77Å; P199-A213 VanDerWaalsContact CA-O 3.26Å; P199-A213 WeakPolarHBondContact CA-O 3.41Å; P199-Y214 HydrophobicContact CB-CD1 3.69Å; P199-Y214 HydrophobicContact CB-CE1 3.57Å; P199-Y214 HydrophobicContact CB-CG 4.41Å; P199-Y214 HydrophobicContact CG-CD1 3.7Å; P199-Y214 HydrophobicContact CG-CE1 3.67Å
200L98.6Very high97.8Very high37 Ų3754.5 Ų54.519%0.19430%0.301CS..EExtended strand (participates in β ladder)trans-130.4131-176.9-65.1174.5000111.2W186 H190 E193 L194 T212 A213W186-L200 HydrophobicContact CH2-CB 3.8Å; W186-L200 HydrophobicContact CZ2-CB 4.49Å; H190-L200 HydrophobicContact CB-CD1 3.67Å; E193-L200 HydrophobicContact CB-CD1 4.06Å; L194-L200 HydrophobicContact CD2-CB 4.2Å; L194-L200 HydrophobicContact CD2-CD1 4.06Å; L194-L200 HydrophobicContact CD2-CG 4.14Å; L194-L200 HydrophobicContact CG-CD1 4.28Å; L200-T212 CarbonylContact O-C 3.57Å; L200-T212 WeakPolarHBondContact O-CA 3.48Å; L200-A213 PolarHBondContact N-O 3.05Å; L200-A213 PolarHBondContact O-N 3.11Å
201S98.4Very high97.8Very high38 Ų3852.1 Ų52.127%0.26629%0.291SS..EExtended strand (participates in β ladder)trans-78.7128.3173.1-178.10000110F203 G204 Q210S201-F203 VanDerWaalsContact C-N 3.34Å; S201-G204 PolarHBondContact OG-N 3.28Å; S201-Q210 PolarHBondContact OG-OE1 2.93Å
202L98.6Very high97.8Very high15 Ų1549.8 Ų49.88%0.07928%0.284CS..SBendtrans-68-34.7-179.3-87.768.6000112.3I82 M181 L183 W186 V211 A213 L273I82-L202 HydrophobicContact CD1-CD2 4.04Å; I82-L202 HydrophobicContact CG2-CD2 4.19Å; M181-L202 HydrophobicContact CE-CB 3.83Å; M181-L202 HydrophobicContact CE-CD2 3.81Å; M181-L202 HydrophobicContact CE-CG 3.82Å; L183-L202 HydrophobicContact CD1-CD2 3.8Å; W186-L202 HydrophobicContact CD2-CG 4.23Å; W186-L202 HydrophobicContact CE3-CD1 4.13Å; W186-L202 HydrophobicContact CE3-CG 4.05Å; W186-L202 HydrophobicContact CH2-CD1 3.58Å; W186-L202 HydrophobicContact CH2-CG 3.93Å; W186-L202 HydrophobicContact CZ2-CD1 4.22Å; W186-L202 HydrophobicContact CZ2-CG 4.09Å; W186-L202 HydrophobicContact CZ3-CD1 3.54Å; W186-L202 HydrophobicContact CZ3-CG 3.91Å; L202-V211 HydrophobicContact CB-CB 4.37Å; L202-V211 HydrophobicContact CD1-CG1 4.27Å; L202-V211 WeakPolarHBondContact CD1-O 3.28Å; L202-V211 HydrophobicContact CD2-CG1 3.9Å; L202-V211 HydrophobicContact CG-CG1 4.47Å; L202-V211 PolarHBondContact N-O 2.94Å; L202-A213 HydrophobicContact CD1-CB 3.83Å; L202-L273 HydrophobicContact CD1-CD2 4.19Å
203F98.2Very high97.9Very high22 Ų2238.8 Ų38.810%0.09624%0.242CC..SBendtrans-116.6-3.8-170.8-52.9-60.4000113.8I82 L84 M178 M181 S201 Y207 V211I82-F203 HydrophobicContact CD1-CE2 4.36Å; I82-F203 HydrophobicContact CD1-CZ 4.08Å; I82-F203 HydrophobicContact CG1-CZ 4.01Å; I82-F203 HydrophobicContact CG2-CZ 4.13Å; L84-F203 HydrophobicContact CB-CD1 4.15Å; L84-F203 HydrophobicContact CB-CD2 3.9Å; L84-F203 HydrophobicContact CB-CE1 4.11Å; L84-F203 HydrophobicContact CB-CE2 3.84Å; L84-F203 HydrophobicContact CB-CG 4.05Å; L84-F203 HydrophobicContact CB-CZ 3.95Å; L84-F203 HydrophobicContact CD2-CB 3.8Å; L84-F203 HydrophobicContact CD2-CD2 3.58Å; L84-F203 HydrophobicContact CD2-CE2 4.28Å; L84-F203 HydrophobicContact CD2-CG 3.73Å; L84-F203 HydrophobicContact CG-CD2 4.35Å; M178-F203 HydrophobicContact CE-CD1 3.82Å; M178-F203 HydrophobicContact CE-CE1 4.43Å; M178-F203 HydrophobicContact CE-CG 4.37Å; M178-F203 HydrophobicContact SD-CD1 3.72Å; M178-F203 HydrophobicContact SD-CE1 3.78Å; M181-F203 HydrophobicContact CE-CE1 4.02Å; S201-F203 VanDerWaalsContact C-N 3.34Å; F203-Y207 HydrophobicContact CB-CD2 3.9Å; F203-Y207 HydrophobicContact CB-CE2 4.3Å; F203-Y207 WeakPolarHBondContact O-CD2 3.27Å; F203-V211 HydrophobicContact CD2-CB 4.01Å; F203-V211 HydrophobicContact CD2-CG2 3.97Å; F203-V211 HydrophobicContact CE2-CB 3.83Å; F203-V211 HydrophobicContact CE2-CG2 3.64Å
204G96Very high97.9Very high26 Ų2635.6 Ų35.627%0.26823%0.226SC..  trans72.5-162.9178.500000114.1S201 Q210S201-G204 PolarHBondContact OG-N 3.28Å; G204-Q210 PolarHBondContact O-NE2 3.06Å; G204-Q210 VanDerWaalsContact O-NE2 3.12Å
205D95.4Very high97.9Very high131 Ų13135.7 Ų35.770%0.70123%0.227SC*.THydrogen-bonded Turntrans-93.6-1.2-165.4-54-42.8000114.2Y207 K283D205-Y207 VanDerWaalsContact C-N 3.29Å; D205-Y207 PolarHBondContact O-N 3.43Å; D205-K283 WeakPolarHBondContact O-CE 3.28Å; D205-K283 PolarHBondContact O-NZ 3.42Å
206T97Very high97.9Very high81 Ų8137.1 Ų37.150%0.49723%0.234SC..THydrogen-bonded Turntrans-85.3-0.4-176.973.70000113.6R175 K283R175-T206 PolarHBondContact NH1-O 3.47Å; R175-T206 PolarHBondContact NH2-O 2.77Å; R175-T206 PolarHBondContact NH2-OG1 3.01Å; T206-K283 WeakPolarHBondContact O-CG 3.22Å
207Y98.3Very high97.9Very high20 Ų2034.8 Ų34.88%0.07822%0.218CC..SBendtrans-116.4154.5179.1-64.7-83.3000111.5E52 L84 P86 M178 F203 D205 T209 K283E52-Y207 WeakPolarHBondContact OE1-CA 3.18Å; E52-Y207 WeakPolarHBondContact OE1-CD1 3.3Å; L84-Y207 HydrophobicContact CD2-CD1 3.64Å; L84-Y207 HydrophobicContact CD2-CD2 3.98Å; L84-Y207 HydrophobicContact CD2-CE1 4.3Å; L84-Y207 HydrophobicContact CD2-CG 3.46Å; L84-Y207 VanDerWaalsContact CD2-CG 3.46Å; L84-Y207 HydrophobicContact CG-CD1 4.09Å; L84-Y207 HydrophobicContact CG-CE1 4.47Å; L84-Y207 HydrophobicContact CG-CG 4.4Å; P86-Y207 HydrophobicContact CB-CD1 4.25Å; P86-Y207 HydrophobicContact CB-CE1 3.86Å; P86-Y207 HydrophobicContact CG-CE1 3.97Å; M178-Y207 HydrophobicContact CE-CD2 4.46Å; M178-Y207 HydrophobicContact CE-CE1 3.98Å; M178-Y207 HydrophobicContact CE-CE2 3.59Å; M178-Y207 WeakPolarHBondContact CE-OH 3.46Å; F203-Y207 HydrophobicContact CB-CD2 3.9Å; F203-Y207 HydrophobicContact CB-CE2 4.3Å; F203-Y207 WeakPolarHBondContact O-CD2 3.27Å; D205-Y207 VanDerWaalsContact C-N 3.29Å; D205-Y207 PolarHBondContact O-N 3.43Å; Y207-T209 VanDerWaalsContact C-N 3.34Å; Y207-K283 WeakPolarHBondContact O-CE 3.37Å; Y207-K283 PolarHBondContact O-NZ 3.29Å
208E98.4Very high98Very high4 Ų437.3 Ų37.32%0.01923%0.229CC..SBendtrans-64.5-45.5171.1-175.9-168.799.300109.9E52 R106 D278 C281 K282E52-E208 VanDerWaalsContact CD-N 3.32Å; E52-E208 HydrophobicContact CG-CB 4.25Å; E52-E208 PolarHBondContact OE1-N 2.74Å; E52-E208 PolarHBondContact OE2-N 2.79Å; E52-E208 VanDerWaalsContact OE2-N 3.14Å; R106-E208 WeakPolarHBondContact CD-OE1 3.49Å; R106-E208 IonicContact CZ-OE1 2.74Å; R106-E208 IonicContact CZ-OE2 3.2Å; R106-E208 IonicContact NE-OE1 2.87Å; R106-E208 PolarHBondContact NE-OE1 3.47Å; R106-E208 IonicContact NE-OE2 3.98Å; R106-E208 PolarHBondContact NE-OE2 2.85Å; R106-E208 IonicContact NH2-OE1 2.76Å; R106-E208 IonicContact NH2-OE2 2.72Å; R106-E208 PolarHBondContact NH2-OE2 2.77Å; E208-D278 WeakPolarHBondContact CG-O 3.38Å; E208-C281 HydrophobicContact CG-CB 4.23Å; E208-K282 VanDerWaalsContact OE2-CB 3.31Å; E208-K282 WeakPolarHBondContact OE2-CB 3.46Å
209T98.8Very high98Very high0 Ų036.8 Ų36.80%022%0.223CC..EExtended strand (participates in β ladder)trans-68.3133.3-178.5-53.70000110.8E52 V54 L84 Y207 V211 V275 T276 Q277E52-T209 WeakPolarHBondContact CB-OG1 3.26Å; E52-T209 WeakPolarHBondContact OE2-CB 2.97Å; E52-T209 PolarHBondContact OE2-N 3.45Å; E52-T209 PolarHBondContact OE2-OG1 2.76Å; V54-T209 HydrophobicContact CG2-CG2 3.6Å; L84-T209 HydrophobicContact CD1-CG2 4.18Å; Y207-T209 VanDerWaalsContact C-N 3.34Å; T209-V211 HydrophobicContact CG2-CG2 3.88Å; T209-V275 HydrophobicContact CG2-CG1 4.42Å; T209-T276 WeakPolarHBondContact CA-O 3.28Å; T209-Q277 HydrophobicContact CG2-CG 3.85Å; T209-Q277 WeakPolarHBondContact OG1-CG 3.39Å; T209-Q277 PolarHBondContact OG1-NE2 3.35Å
210Q98.6Very high97.8Very high50 Ų5041.6 Ų41.623%0.23424%0.24CC..EExtended strand (participates in β ladder)trans-111113.9165-67.9-58.7-49.200109.3S201 G204 V275 T276S201-Q210 PolarHBondContact OG-OE1 2.93Å; G204-Q210 PolarHBondContact O-NE2 3.06Å; G204-Q210 VanDerWaalsContact O-NE2 3.12Å; Q210-V275 WeakPolarHBondContact O-CA 3.39Å; Q210-T276 PolarHBondContact N-O 3.34Å; Q210-T276 PolarHBondContact O-N 3.35Å
211V98.8Very high97.4Very high1 Ų140.4 Ų40.41%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-106.2107.8164.7-175.10000106.9V54 I82 L202 F203 T209 L273 S274 V275V54-V211 HydrophobicContact CG2-CG2 4.07Å; I82-V211 HydrophobicContact CD1-CG1 4.29Å; L202-V211 HydrophobicContact CB-CB 4.37Å; L202-V211 HydrophobicContact CD1-CG1 4.27Å; L202-V211 WeakPolarHBondContact CD1-O 3.28Å; L202-V211 HydrophobicContact CD2-CG1 3.9Å; L202-V211 HydrophobicContact CG-CG1 4.47Å; L202-V211 PolarHBondContact N-O 2.94Å; F203-V211 HydrophobicContact CD2-CB 4.01Å; F203-V211 HydrophobicContact CD2-CG2 3.97Å; F203-V211 HydrophobicContact CE2-CB 3.83Å; F203-V211 HydrophobicContact CE2-CG2 3.64Å; T209-V211 HydrophobicContact CG2-CG2 3.88Å; V211-L273 HydrophobicContact CG1-CD1 4.4Å; V211-S274 WeakPolarHBondContact CA-O 3.25Å; V211-V275 HydrophobicContact CG1-CG2 4.31Å; V211-V275 HydrophobicContact CG2-CG1 4.3Å; V211-V275 HydrophobicContact CG2-CG2 4.18Å
212T98.8Very high96.9Very high20 Ų2044.8 Ų44.812%0.12326%0.256CS..EExtended strand (participates in β ladder)trans-113.1127.2-172.9-53.50000109.8P199 L200 Y214 L273 S274P199-T212 HydrophobicContact CB-CG2 3.77Å; L200-T212 CarbonylContact O-C 3.57Å; L200-T212 WeakPolarHBondContact O-CA 3.48Å; T212-Y214 HydrophobicContact CG2-CD2 4.26Å; T212-Y214 HydrophobicContact CG2-CE1 4.25Å; T212-Y214 HydrophobicContact CG2-CE2 3.54Å; T212-Y214 WeakPolarHBondContact O-CD2 3.19Å; T212-Y214 VanDerWaalsContact O-CE2 3.31Å; T212-Y214 WeakPolarHBondContact O-CE2 3.46Å; T212-L273 CarbonylContact O-C 3.53Å; T212-L273 VanDerWaalsContact O-CA 3.3Å; T212-L273 WeakPolarHBondContact O-CA 3.37Å; T212-S274 PolarHBondContact N-O 3.44Å; T212-S274 PolarHBondContact O-N 2.71Å
213A98.8Very high96.5Very high0 Ų053.1 Ų53.10%029%0.286CS..EExtended strand (participates in β ladder)trans-88.9142.7171.600000111.3W186 L187 L194 P199 L200 L202 A272 L273W186-A213 HydrophobicContact CH2-CB 4.24Å; W186-A213 HydrophobicContact CZ3-CB 3.73Å; L187-A213 HydrophobicContact CD2-CB 3.84Å; L194-A213 HydrophobicContact CD1-CB 4.18Å; L194-A213 HydrophobicContact CD2-CB 3.79Å; L194-A213 WeakPolarHBondContact CD2-O 3.43Å; P199-A213 VanDerWaalsContact CA-O 3.26Å; P199-A213 WeakPolarHBondContact CA-O 3.41Å; L200-A213 PolarHBondContact N-O 3.05Å; L200-A213 PolarHBondContact O-N 3.11Å; L202-A213 HydrophobicContact CD1-CB 3.83Å; A213-A272 CarbonylContact C-O 3.51Å; A213-A272 WeakPolarHBondContact CA-O 3.4Å; A213-L273 HydrophobicContact CB-CD2 3.82Å
214Y98.8Very high96.1Very high36 Ų3656.2 Ų56.214%0.14130%0.301CS..EExtended strand (participates in β ladder)trans-130.3138.3178.3-59.7-99.6000109.7P199 T212 W264 V271 A272 S274P199-Y214 HydrophobicContact CB-CD1 3.69Å; P199-Y214 HydrophobicContact CB-CE1 3.57Å; P199-Y214 HydrophobicContact CB-CG 4.41Å; P199-Y214 HydrophobicContact CG-CD1 3.7Å; P199-Y214 HydrophobicContact CG-CE1 3.67Å; T212-Y214 HydrophobicContact CG2-CD2 4.26Å; T212-Y214 HydrophobicContact CG2-CE1 4.25Å; T212-Y214 HydrophobicContact CG2-CE2 3.54Å; T212-Y214 WeakPolarHBondContact O-CD2 3.19Å; T212-Y214 VanDerWaalsContact O-CE2 3.31Å; T212-Y214 WeakPolarHBondContact O-CE2 3.46Å; Y214-W264 HydrophobicContact CD1-CZ3 4.37Å; Y214-W264 HydrophobicContact CD2-CH2 4.08Å; Y214-W264 AromaticContact CD2-CZ3 3.7Å; Y214-W264 HydrophobicContact CD2-CZ3 3.7Å; Y214-W264 AromaticContact CE2-CZ3 3.96Å; Y214-W264 HydrophobicContact CE2-CZ3 3.96Å; Y214-W264 HydrophobicContact CG-CH2 4.4Å; Y214-W264 AromaticContact CG-CZ3 3.94Å; Y214-W264 HydrophobicContact CG-CZ3 3.94Å; Y214-V271 WeakPolarHBondContact O-CA 3.44Å; Y214-A272 PolarHBondContact N-O 3.4Å; Y214-A272 PolarHBondContact O-N 3.36Å; Y214-S274 WeakPolarHBondContact CE2-OG 2.88Å
215G98.5Very high96Very high2 Ų260.8 Ų60.82%0.02132%0.319CS..  trans-98-153.8162.500000112.1L194 R266 S270L194-G215 VanDerWaalsContact O-CA 3.28Å; L194-G215 WeakPolarHBondContact O-CA 3.36Å; G215-R266 WeakPolarHBondContact O-CD 3.3Å; G215-R266 PolarHBondContact O-NE 3.2Å; G215-S270 WeakPolarHBondContact CA-O 3.21Å
216Q97.9Very high96.1Very high65 Ų6554.8 Ų54.830%0.30429%0.288SS..SBendtrans-56.8152.2175.669.7174.84.100113Q195 T267 Q268Q195-Q216 VanDerWaalsContact O-CG 3.24Å; Q195-Q216 WeakPolarHBondContact O-CG 3.5Å; Q195-Q216 PolarHBondContact O-NE2 3.35Å; Q216-T267 WeakPolarHBondContact CB-O 3.49Å; Q216-Q268 VanDerWaalsContact OE1-CA 3.27Å
217G97.8Very high96.2Very high34 Ų3451.2 Ų51.235%0.35127%0.265SS..EExtended strand (participates in β ladder)trans129.8-168.917600000112.6R266G217-R266 PolarHBondContact N-O 2.74Å; G217-R266 VanDerWaalsContact N-O 3.11Å; G217-R266 PolarHBondContact O-N 2.73Å
218S97.4Very high96.2Very high94 Ų9450.5 Ų50.566%0.65726%0.263SS*.EExtended strand (participates in β ladder)trans-121.3156.1179.6590000112W264S218-W264 CarbonylContact C-O 3.26Å; S218-W264 VanDerWaalsContact CA-O 3.24Å; S218-W264 WeakPolarHBondContact CA-O 3.46Å
219S96.5Very high96.2Very high34 Ų3450.5 Ų50.524%0.23826%0.263CS..EExtended strand (participates in β ladder)trans-147.8151.1175.4-54.70000110.5A263 W264 R266S219-A263 CarbonylContact O-C 3.53Å; S219-A263 WeakPolarHBondContact O-CA 3.31Å; S219-W264 PolarHBondContact N-O 2.95Å; S219-W264 PolarHBondContact O-N 3.43Å; S219-R266 PolarHBondContact OG-NH1 3.09Å; S219-R266 PolarHBondContact OG-NH2 2.87Å
220E94.9Very high96.2Very high164 Ų16450.5 Ų50.577%0.76626%0.263SS*.EExtended strand (participates in β ladder)trans-112122.5170.7-67.9-174.5175.800109.3
221G88.9Confident96.2Very high11 Ų1148.4 Ų48.411%0.11325%0.253CS..EExtended strand (participates in β ladder)trans-89.7111.1167.600000109.8S261 Y262G221-S261 WeakPolarHBondContact O-CA 3.23Å; G221-Y262 PolarHBondContact N-O 3.09Å; G221-Y262 PolarHBondContact O-N 3.27Å
222L88.7Confident96.2Very high130 Ų13048.4 Ų48.468%0.68125%0.253SS*.  trans-70.5163.8172.8-66.1174000110.8Q224L222-Q224 PolarHBondContact O-N 3.06Å
223R89.4Confident96.2Very high190 Ų19049.2 Ų49.272%0.71726%0.256SS*.  trans-64106.1173.7-69.5-169.6148.6150.8-2.1109.8G259 S261R223-G259 WeakPolarHBondContact CD-O 3.18Å; R223-G259 WeakPolarHBondContact CG-O 3.37Å; R223-G259 PolarHBondContact NE-O 2.81Å; R223-S261 WeakPolarHBondContact CG-OG 3.28Å
224Q90.3Very high96.2Very high87 Ų8752.6 Ų52.641%0.40727%0.272SS..  trans-99.8157.3170.8-66.7178.3-38.600110.2L222 V226 A258 G259L222-Q224 PolarHBondContact O-N 3.06Å; Q224-V226 HydrophobicContact CB-CG2 4.04Å; Q224-V226 PolarHBondContact O-N 2.82Å; Q224-A258 CarbonylContact O-C 3.48Å; Q224-G259 PolarHBondContact O-N 2.93Å
225N93.8Very high96.2Very high122 Ų12252.2 Ų52.265%0.65228%0.279SS*.SBendtrans-85.69.2173.560.9-22.2000112.8
226V97.6Very high96.2Very high6 Ų654.4 Ų54.44%0.03629%0.294CS..SBendtrans-129.2157.5-179-64.10000110.1Q224 A258 T276 D278Q224-V226 HydrophobicContact CB-CG2 4.04Å; Q224-V226 PolarHBondContact O-N 2.82Å; V226-A258 WeakPolarHBondContact O-CA 3.41Å; V226-T276 HydrophobicContact CG2-CG2 3.69Å; V226-D278 HydrophobicContact CG1-CB 4.11Å; V226-D278 HydrophobicContact CG2-CB 4.13Å
227D98.5Very high96.2Very high5 Ų551.4 Ų51.43%0.02728%0.28CS..  trans-78156.5176.7-61.9-26.7000110.6E30 Q31 L32 L255 V256 L257 A258E30-D227 WeakPolarHBondContact CB-OD2 3.24Å; Q31-D227 WeakPolarHBondContact CA-OD2 3.17Å; Q31-D227 HydrophobicContact CB-CB 4.42Å; Q31-D227 WeakPolarHBondContact CB-OD2 3.45Å; Q31-D227 PolarHBondContact N-OD2 3.39Å; L32-D227 HydrophobicContact CB-CB 4.16Å; L32-D227 HydrophobicContact CD1-CB 4.03Å; L32-D227 HydrophobicContact CG-CB 3.96Å; L32-D227 PolarHBondContact N-OD2 3.43Å; D227-L255 HydrophobicContact CB-CD1 3.98Å; D227-V256 WeakPolarHBondContact CA-O 3.42Å; D227-L257 WeakPolarHBondContact OD1-CA 3.22Å; D227-A258 PolarHBondContact OD1-N 3.3Å
228V98.6Very high96.2Very high6 Ų651.7 Ų51.74%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-126124.8169.3-174.50000108.4L230 V256V228-L230 HydrophobicContact CG1-CD2 3.74Å; V228-V256 HydrophobicContact CB-CB 4.4Å; V228-V256 PolarHBondContact N-O 3.36Å; V228-V256 PolarHBondContact O-N 3.22Å
229W98.8Very high96.3Very high3 Ų347.2 Ų47.21%0.01124%0.244CC..EExtended strand (participates in β ladder)trans-100.8115.8173.7-173.164.6000110.1V7 M27 H28 L32 V34 L102 W231 L255 S274 V275V7-W229 HydrophobicContact CG2-CZ2 4.12Å; M27-W229 HydrophobicContact SD-CZ2 4.43Å; H28-W229 AromaticContact CD2-CD1 3.78Å; H28-W229 AromaticContact CD2-NE1 3.8Å; H28-W229 AromaticContact NE2-NE1 3.84Å; L32-W229 HydrophobicContact CD1-CB 4.02Å; V34-W229 HydrophobicContact CG1-CD2 4.16Å; V34-W229 HydrophobicContact CG1-CH2 4.41Å; V34-W229 HydrophobicContact CG1-CZ2 4Å; V34-W229 HydrophobicContact CG2-CB 4.26Å; V34-W229 HydrophobicContact CG2-CD2 4.17Å; V34-W229 HydrophobicContact CG2-CG 3.93Å; L102-W229 HydrophobicContact CD1-CH2 4.33Å; L102-W229 HydrophobicContact CD1-CZ3 4.49Å; L102-W229 HydrophobicContact CD2-CH2 3.88Å; L102-W229 HydrophobicContact CD2-CZ3 3.71Å; W229-W231 HydrophobicContact CH2-CB 4.08Å; W229-W231 AromaticContact CH2-CD2 3.97Å; W229-W231 HydrophobicContact CH2-CD2 3.97Å; W229-W231 AromaticContact CH2-CE3 3.83Å; W229-W231 HydrophobicContact CH2-CE3 3.83Å; W229-W231 HydrophobicContact CH2-CG 4.11Å; W229-W231 HydrophobicContact CZ2-CB 4.44Å; W229-W231 HydrophobicContact CZ3-CB 4.17Å; W229-W231 HydrophobicContact CZ3-CD2 4.47Å; W229-W231 HydrophobicContact CZ3-CE3 4.04Å; W229-L255 HydrophobicContact CB-CD1 4.1Å; W229-S274 CarbonylContact O-C 3.5Å; W229-S274 VanDerWaalsContact O-CA 3.32Å; W229-S274 WeakPolarHBondContact O-CA 3.37Å; W229-V275 HydrophobicContact CE3-CB 4.5Å; W229-V275 HydrophobicContact CE3-CG2 4.06Å; W229-V275 PolarHBondContact N-O 2.83Å; W229-V275 PolarHBondContact O-N 2.72Å
230L98.8Very high96.3Very high0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-95.3141.3177.5-52.6-179.4000109.5V228 V239 S253 L254 V256 Y262 W264 L273V228-L230 HydrophobicContact CG1-CD2 3.74Å; L230-V239 HydrophobicContact CD1-CG2 3.97Å; L230-S253 CarbonylContact O-C 3.58Å; L230-S253 WeakPolarHBondContact O-CA 3.32Å; L230-S253 VanDerWaalsContact O-CB 3.27Å; L230-S253 WeakPolarHBondContact O-CB 3.33Å; L230-L254 HydrophobicContact CB-CB 4.44Å; L230-L254 PolarHBondContact N-O 3.41Å; L230-L254 PolarHBondContact O-N 2.73Å; L230-V256 HydrophobicContact CD1-CG2 4Å; L230-V256 HydrophobicContact CG-CG2 4.27Å; L230-Y262 HydrophobicContact CD1-CE2 4.19Å; L230-W264 HydrophobicContact CD1-CD2 4.15Å; L230-W264 HydrophobicContact CD1-CE3 4.35Å; L230-W264 HydrophobicContact CD1-CZ2 4.38Å; L230-W264 HydrophobicContact CD2-CE3 4.24Å; L230-W264 HydrophobicContact CD2-CH2 4.04Å; L230-W264 HydrophobicContact CD2-CZ3 3.85Å; L230-L273 CarbonylContact C-O 3.52Å; L230-L273 WeakPolarHBondContact CA-O 3.15Å
231W98.8Very high96.3Very high7 Ų741.3 Ų41.33%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-136.8113.3172.3-172.816.5000110.5V7 Y56 L102 W229 L233 D251 A272 L273V7-W231 HydrophobicContact CB-CZ2 4.16Å; V7-W231 HydrophobicContact CG1-CZ2 3.89Å; V7-W231 HydrophobicContact CG2-CD2 4.31Å; V7-W231 HydrophobicContact CG2-CG 4.28Å; V7-W231 HydrophobicContact CG2-CZ2 4.32Å; Y56-W231 HydrophobicContact CD1-CH2 4.01Å; Y56-W231 AromaticContact CD1-CZ3 3.97Å; Y56-W231 HydrophobicContact CD1-CZ3 3.97Å; Y56-W231 AromaticContact CE1-CH2 3.58Å; Y56-W231 HydrophobicContact CE1-CH2 3.58Å; Y56-W231 AromaticContact CE1-CZ3 3.94Å; Y56-W231 HydrophobicContact CE1-CZ3 3.94Å; L102-W231 HydrophobicContact CD2-CZ3 4.3Å; W229-W231 HydrophobicContact CH2-CB 4.08Å; W229-W231 AromaticContact CH2-CD2 3.97Å; W229-W231 HydrophobicContact CH2-CD2 3.97Å; W229-W231 AromaticContact CH2-CE3 3.83Å; W229-W231 HydrophobicContact CH2-CE3 3.83Å; W229-W231 HydrophobicContact CH2-CG 4.11Å; W229-W231 HydrophobicContact CZ2-CB 4.44Å; W229-W231 HydrophobicContact CZ3-CB 4.17Å; W229-W231 HydrophobicContact CZ3-CD2 4.47Å; W229-W231 HydrophobicContact CZ3-CE3 4.04Å; W231-L233 HydrophobicContact CD2-CD2 3.45Å; W231-L233 VanDerWaalsContact CD2-CD2 3.45Å; W231-L233 HydrophobicContact CE3-CD2 3.67Å; W231-L233 HydrophobicContact CG-CD2 3.92Å; W231-L233 HydrophobicContact CH2-CD2 4.14Å; W231-L233 HydrophobicContact CZ2-CD2 3.96Å; W231-L233 HydrophobicContact CZ3-CD2 4.01Å; W231-L233 PolarHBondContact O-N 3.03Å; W231-D251 PolarHBondContact NE1-OD1 2.91Å; W231-A272 CarbonylContact O-C 3.55Å; W231-A272 VanDerWaalsContact O-CA 3.23Å; W231-A272 WeakPolarHBondContact O-CA 3.31Å; W231-A272 WeakPolarHBondContact O-CB 3.4Å; W231-L273 PolarHBondContact N-O 2.76Å; W231-L273 PolarHBondContact O-N 3.28Å
232Q98.9Very high96.2Very high0 Ų044.7 Ų44.70%025%0.25CS..EExtended strand (participates in β ladder)trans-80.397.9178.3-171.467.157.100109.1E234 G235 S237 L248 A249 D251 D252 V271Q232-E234 PolarHBondContact NE2-O 2.87Å; Q232-G235 WeakPolarHBondContact CG-O 3.34Å; Q232-S237 PolarHBondContact OE1-OG 3.33Å; Q232-L248 HydrophobicContact CB-CB 4.05Å; Q232-L248 HydrophobicContact CG-CB 4.38Å; Q232-A249 WeakPolarHBondContact CB-O 3.35Å; Q232-A249 WeakPolarHBondContact CG-O 3.35Å; Q232-D251 VanDerWaalsContact O-CA 3.24Å; Q232-D251 WeakPolarHBondContact O-CA 3.37Å; Q232-D251 PolarHBondContact O-N 3.1Å; Q232-D252 WeakPolarHBondContact CB-O 3.33Å; Q232-D252 PolarHBondContact N-O 3.49Å; Q232-V271 PolarHBondContact NE2-O 3.16Å; Q232-V271 VanDerWaalsContact NE2-O 3.13Å
233L98.6Very high96.2Very high37 Ų3742 Ų4219%0.19425%0.254CS..EExtended strand (participates in β ladder)trans-74.5-47.4-176.8-58.9-179.7000112L183 L187 W231 V271 L273L183-L233 HydrophobicContact CD2-CD1 4.18Å; L187-L233 HydrophobicContact CD1-CD1 3.57Å; W231-L233 HydrophobicContact CD2-CD2 3.45Å; W231-L233 VanDerWaalsContact CD2-CD2 3.45Å; W231-L233 HydrophobicContact CE3-CD2 3.67Å; W231-L233 HydrophobicContact CG-CD2 3.92Å; W231-L233 HydrophobicContact CH2-CD2 4.14Å; W231-L233 HydrophobicContact CZ2-CD2 3.96Å; W231-L233 HydrophobicContact CZ3-CD2 4.01Å; W231-L233 PolarHBondContact O-N 3.03Å; L233-V271 HydrophobicContact CD1-CG1 4.42Å; L233-V271 PolarHBondContact N-O 3.18Å; L233-L273 HydrophobicContact CD1-CD1 4.01Å; L233-L273 HydrophobicContact CD1-CD2 4.39Å; L233-L273 HydrophobicContact CD1-CG 3.8Å; L233-L273 HydrophobicContact CG-CG 4.33Å
234E98.4Very high96.3Very high71 Ų7141.3 Ų41.333%0.33225%0.251SS..EExtended strand (participates in β ladder)trans-133.4149.4-177.6-61.1175.2-150.700110.6R191 Q232 S270 V271R191-E234 IonicContact CZ-OE1 2.98Å; R191-E234 IonicContact CZ-OE2 3.32Å; R191-E234 IonicContact NH1-OE1 3.75Å; R191-E234 IonicContact NH1-OE2 3.58Å; R191-E234 PolarHBondContact NH1-OE2 3Å; R191-E234 IonicContact NH2-OE1 2.88Å; R191-E234 PolarHBondContact NH2-OE1 2.69Å; R191-E234 IonicContact NH2-OE2 3.43Å; R191-E234 PolarHBondContact NH2-OE2 2.73Å; Q232-E234 PolarHBondContact NE2-O 2.87Å; E234-S270 CarbonylContact O-C 3.57Å; E234-S270 VanDerWaalsContact O-CA 3.24Å; E234-S270 WeakPolarHBondContact O-CA 3.27Å; E234-S270 WeakPolarHBondContact O-CB 3.22Å; E234-V271 HydrophobicContact CB-CB 4.05Å; E234-V271 HydrophobicContact CB-CG2 4.33Å; E234-V271 HydrophobicContact CG-CB 4.32Å; E234-V271 PolarHBondContact N-O 3.27Å; E234-V271 PolarHBondContact O-N 3.14Å
235G98.4Very high96.5Very high28 Ų2843.7 Ų43.729%0.28926%0.262SS..SBendtrans63.2-157.6179.700000112.8Q232 P250Q232-G235 WeakPolarHBondContact CG-O 3.34Å; G235-P250 VanDerWaalsContact O-CD 3.3Å; G235-P250 WeakPolarHBondContact O-CD 3.17Å; G235-P250 VanDerWaalsContact O-CG 3.3Å; G235-P250 WeakPolarHBondContact O-CG 3.39Å
236S98.6Very high96.7Very high49 Ų4939.5 Ų39.534%0.34324%0.239SC..  trans-131160.6-174.1-560000112.3L248 T267S236-L248 VanDerWaalsContact CA-O 3.27Å; S236-L248 WeakPolarHBondContact CA-O 3.5Å; S236-T267 PolarHBondContact N-OG1 3.39Å; S236-T267 WeakPolarHBondContact O-CG2 3.36Å; S236-T267 PolarHBondContact O-N 2.96Å; S236-T267 PolarHBondContact O-OG1 2.87Å
237S98.7Very high96.7Very high1 Ų142.5 Ų42.51%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-146.2170.4169.963.90000111.9Q232 S247 L248 W264 E265Q232-S237 PolarHBondContact OE1-OG 3.33Å; S237-S247 CarbonylContact O-C 3.56Å; S237-S247 WeakPolarHBondContact O-CA 3.41Å; S237-L248 PolarHBondContact N-O 2.9Å; S237-L248 PolarHBondContact O-N 3.19Å; S237-W264 PolarHBondContact OG-NE1 3.15Å; S237-E265 CarbonylContact C-O 3.57Å; S237-E265 WeakPolarHBondContact CA-O 3.46Å; S237-E265 WeakPolarHBondContact CB-O 3.31Å
238V98.6Very high96.7Very high41 Ų4142.3 Ų42.325%0.24826%0.26CS..EExtended strand (participates in β ladder)trans-126.8123.5173.8-178.80000108.6H245 L246 W264 E265V238-H245 HydrophobicContact CG1-CB 3.94Å; V238-L246 WeakPolarHBondContact CA-O 3.37Å; V238-W264 WeakPolarHBondContact O-CA 3.37Å; V238-E265 PolarHBondContact N-O 2.86Å; V238-E265 PolarHBondContact O-N 2.93Å
239V98.3Very high96.7Very high0 Ų044 Ų440%028%0.275CS..EExtended strand (participates in β ladder)trans-101.1122.4172-177.50000108.7L230 M241 L246 L248 L254 Y262 A263 W264L230-V239 HydrophobicContact CD1-CG2 3.97Å; V239-M241 HydrophobicContact CG1-CE 3.61Å; V239-L246 PolarHBondContact N-O 3.38Å; V239-L246 PolarHBondContact O-N 3.04Å; V239-L248 HydrophobicContact CG2-CD1 3.82Å; V239-L248 HydrophobicContact CG2-CG 4.25Å; V239-L254 HydrophobicContact CB-CD2 3.9Å; V239-L254 HydrophobicContact CG1-CD2 3.88Å; V239-L254 HydrophobicContact CG2-CD2 3.87Å; V239-Y262 HydrophobicContact CG1-CD2 3.94Å; V239-Y262 HydrophobicContact CG1-CG 4.32Å; V239-A263 CarbonylContact C-O 3.55Å; V239-A263 WeakPolarHBondContact CA-O 3.4Å; V239-W264 VanDerWaalsContact CG2-CD1 3.4Å; V239-W264 HydrophobicContact CG2-CG 4.04Å
240T97.5Very high96.7Very high34 Ų3447.6 Ų47.621%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-103115.4176.6-54.60000109.5R244 H245 Y262 A263T240-R244 CarbonylContact C-O 3.36Å; T240-R244 VanDerWaalsContact CA-O 3.27Å; T240-R244 WeakPolarHBondContact CA-O 3.42Å; T240-H245 PolarHBondContact OG1-CE1 3.26Å; T240-H245 PolarHBondContact OG1-ND1 2.94Å; T240-Y262 CarbonylContact O-C 3.59Å; T240-Y262 WeakPolarHBondContact O-CA 3.34Å; T240-A263 PolarHBondContact N-O 2.62Å; T240-A263 PolarHBondContact O-N 3.37Å
241M94.1Very high96.6Very high39 Ų3949.1 Ų49.119%0.19231%0.306CS..EExtended strand (participates in β ladder)trans-142.5134.6179.156.6170.967.600110.8V239 G243 R244 L246 L254 V256 T260V239-M241 HydrophobicContact CG1-CE 3.61Å; M241-G243 PolarHBondContact O-N 2.85Å; M241-R244 PolarHBondContact N-O 2.85Å; M241-R244 PolarHBondContact O-N 2.76Å; M241-L246 HydrophobicContact CG-CD1 3.59Å; M241-L246 HydrophobicContact SD-CD1 4.1Å; M241-L254 HydrophobicContact CE-CD2 3.73Å; M241-L254 HydrophobicContact CE-CG 4.5Å; M241-V256 HydrophobicContact CE-CG1 4.19Å; M241-V256 HydrophobicContact CE-CG2 3.89Å; M241-T260 HydrophobicContact CB-CG2 4.11Å; M241-T260 HydrophobicContact SD-CG2 4.45Å
242G87.8Confident96.6Very high82 Ų8250.2 Ų50.285%0.84531%0.312SS*.THydrogen-bonded Turntrans55.734.8178.900000114.4R244G242-R244 VanDerWaalsContact C-N 3.25Å; G242-R244 PolarHBondContact O-N 2.77Å
243G87.3Confident96.6Very high73 Ų7350.2 Ų50.275%0.75331%0.312SS*.THydrogen-bonded Turntrans74.86.4-177.400000115.2M241M241-G243 PolarHBondContact O-N 2.85Å
244R92.1Very high96.6Very high176 Ų17648.6 Ų48.666%0.66430%0.304SS*.EExtended strand (participates in β ladder)trans-107.7142.5176-63.2178.265.2-171.3-0.7110.4T240 M241 G242 L246T240-R244 CarbonylContact C-O 3.36Å; T240-R244 VanDerWaalsContact CA-O 3.27Å; T240-R244 WeakPolarHBondContact CA-O 3.42Å; M241-R244 PolarHBondContact N-O 2.85Å; M241-R244 PolarHBondContact O-N 2.76Å; G242-R244 VanDerWaalsContact C-N 3.25Å; G242-R244 PolarHBondContact O-N 2.77Å; R244-L246 HydrophobicContact CB-CD1 4.34Å
245H95.3Very high96.6Very high137 Ų13745.3 Ų45.363%0.63429%0.289SS*.EExtended strand (participates in β ladder)trans-101.8124.2171.7-57-76.7000109.2V238 T240V238-H245 HydrophobicContact CG1-CB 3.94Å; T240-H245 PolarHBondContact OG1-CE1 3.26Å; T240-H245 PolarHBondContact OG1-ND1 2.94Å
246L96.3Very high96.6Very high34 Ų3444.2 Ų44.218%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-116.4113.5176.4-63.199.9000108.8V238 V239 M241 R244V238-L246 WeakPolarHBondContact CA-O 3.37Å; V239-L246 PolarHBondContact N-O 3.38Å; V239-L246 PolarHBondContact O-N 3.04Å; M241-L246 HydrophobicContact CG-CD1 3.59Å; M241-L246 HydrophobicContact SD-CD1 4.1Å; R244-L246 HydrophobicContact CB-CD1 4.34Å
247S97.8Very high96.5Very high70 Ų7044.7 Ų44.749%0.4928%0.275SS..EExtended strand (participates in β ladder)trans-74.7135.1170.9-55.10000110.3R4 S237R4-S247 WeakPolarHBondContact CD-O 3.23Å; R4-S247 PolarHBondContact NH1-O 3.5Å; S237-S247 CarbonylContact O-C 3.56Å; S237-S247 WeakPolarHBondContact O-CA 3.41Å
248L98.6Very high96.4Very high1 Ų146.6 Ų46.61%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-107115.1167.2-53.4-176.8000107.6R4 Q232 S236 S237 V239 D252 L254R4-L248 HydrophobicContact CG-CD2 3.67Å; Q232-L248 HydrophobicContact CB-CB 4.05Å; Q232-L248 HydrophobicContact CG-CB 4.38Å; S236-L248 VanDerWaalsContact CA-O 3.27Å; S236-L248 WeakPolarHBondContact CA-O 3.5Å; S237-L248 PolarHBondContact N-O 2.9Å; S237-L248 PolarHBondContact O-N 3.19Å; V239-L248 HydrophobicContact CG2-CD1 3.82Å; V239-L248 HydrophobicContact CG2-CG 4.25Å; L248-D252 HydrophobicContact CB-CB 4Å; L248-D252 HydrophobicContact CD2-CB 4.2Å; L248-L254 HydrophobicContact CD1-CB 4.12Å; L248-L254 HydrophobicContact CD2-CB 3.96Å; L248-L254 HydrophobicContact CD2-CD2 4.41Å
249A98.5Very high96.3Very high42 Ų4246.3 Ų46.335%0.34730%0.296SS..  trans-79.8173.7171.900000110.4Q232 D251 D252Q232-A249 WeakPolarHBondContact CB-O 3.35Å; Q232-A249 WeakPolarHBondContact CG-O 3.35Å; A249-D251 PolarHBondContact O-N 3.47Å; A249-D252 PolarHBondContact N-OD2 2.87Å; A249-D252 WeakPolarHBondContact O-CB 3.44Å; A249-D252 PolarHBondContact O-N 3.05Å
250P98.6Very high96.2Very high77 Ų7748.4 Ų48.450%0.531%0.309SS..THydrogen-bonded Turntrans-54.3135.3171.3-23.131.9000111G235 D252G235-P250 VanDerWaalsContact O-CD 3.3Å; G235-P250 WeakPolarHBondContact O-CD 3.17Å; G235-P250 VanDerWaalsContact O-CG 3.3Å; G235-P250 WeakPolarHBondContact O-CG 3.39Å; P250-D252 PolarHBondContact O-N 3.01Å
251D98.4Very high96.1Very high33 Ų3349.7 Ų49.718%0.17632%0.319CS..THydrogen-bonded Turntrans70.6-0.5-175.9-159.958.9000116.3V7 R8 W231 Q232 A249V7-D251 PolarHBondContact N-O 3.13Å; V7-D251 PolarHBondContact N-OD2 3.43Å; R8-D251 WeakPolarHBondContact CB-OD2 3.3Å; R8-D251 WeakPolarHBondContact CG-OD2 3.38Å; R8-D251 PolarHBondContact N-OD2 2.65Å; W231-D251 PolarHBondContact NE1-OD1 2.91Å; Q232-D251 VanDerWaalsContact O-CA 3.24Å; Q232-D251 WeakPolarHBondContact O-CA 3.37Å; Q232-D251 PolarHBondContact O-N 3.1Å; A249-D251 PolarHBondContact O-N 3.47Å
252D98.7Very high96.3Very high29 Ų2949.1 Ų49.116%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-69.1136169.7-80.1-23.5000111.1G6 Q232 L248 A249 P250G6-D252 WeakPolarHBondContact CA-OD1 3.46Å; Q232-D252 WeakPolarHBondContact CB-O 3.33Å; Q232-D252 PolarHBondContact N-O 3.49Å; L248-D252 HydrophobicContact CB-CB 4Å; L248-D252 HydrophobicContact CD2-CB 4.2Å; A249-D252 PolarHBondContact N-OD2 2.87Å; A249-D252 WeakPolarHBondContact O-CB 3.44Å; A249-D252 PolarHBondContact O-N 3.05Å; P250-D252 PolarHBondContact O-N 3.01Å
253S98.7Very high96.7Very high0 Ų046.7 Ų46.70%029%0.287CS..EExtended strand (participates in β ladder)trans-111.2159166.869.40000111.2R4 V5 L230R4-S253 CarbonylContact C-O 3.58Å; R4-S253 WeakPolarHBondContact CA-O 3.44Å; V5-S253 PolarHBondContact N-O 2.86Å; V5-S253 PolarHBondContact O-N 3.26Å; V5-S253 PolarHBondContact O-OG 2.72Å; L230-S253 CarbonylContact O-C 3.58Å; L230-S253 WeakPolarHBondContact O-CA 3.32Å; L230-S253 VanDerWaalsContact O-CB 3.27Å; L230-S253 WeakPolarHBondContact O-CB 3.33Å
254L98.6Very high97.3Very high3 Ų343.3 Ų43.32%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-144.1122.8175.6176.763.9000110.6R3 R4 L230 V239 M241 L248 V256R3-L254 HydrophobicContact CB-CD1 3.97Å; R3-L254 WeakPolarHBondContact O-CA 3.16Å; R4-L254 HydrophobicContact CB-CD1 4.06Å; L230-L254 HydrophobicContact CB-CB 4.44Å; L230-L254 PolarHBondContact N-O 3.41Å; L230-L254 PolarHBondContact O-N 2.73Å; V239-L254 HydrophobicContact CB-CD2 3.9Å; V239-L254 HydrophobicContact CG1-CD2 3.88Å; V239-L254 HydrophobicContact CG2-CD2 3.87Å; M241-L254 HydrophobicContact CE-CD2 3.73Å; M241-L254 HydrophobicContact CE-CG 4.5Å; L248-L254 HydrophobicContact CD1-CB 4.12Å; L248-L254 HydrophobicContact CD2-CB 3.96Å; L248-L254 HydrophobicContact CD2-CD2 4.41Å; L254-V256 HydrophobicContact CD2-CG2 4.19Å; L254-V256 HydrophobicContact CG-CG2 4.24Å; L254-V256 PolarHBondContact O-N 2.79Å
255L98.5Very high97.6Very high3 Ų340.4 Ų40.42%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-83.8112.1164.3-17275.6000110.7R3 H28 E30 L32 D227 W229 L257R3-L255 PolarHBondContact O-N 3.28Å; H28-L255 HydrophobicContact CB-CD2 3.85Å; E30-L255 HydrophobicContact CB-CD2 4.22Å; E30-L255 HydrophobicContact CG-CD2 3.86Å; L32-L255 HydrophobicContact CB-CD1 4.35Å; L32-L255 HydrophobicContact CD1-CD1 4.43Å; D227-L255 HydrophobicContact CB-CD1 3.98Å; W229-L255 HydrophobicContact CB-CD1 4.1Å; L255-L257 HydrophobicContact CD2-CD2 3.71Å; L255-L257 HydrophobicContact CG-CD2 4.28Å
256V97.7Very high97.8Very high5 Ų534.7 Ų34.73%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-87.7116.1167.7-172.80000108.5D227 V228 L230 M241 L254 T260 Y262D227-V256 WeakPolarHBondContact CA-O 3.42Å; V228-V256 HydrophobicContact CB-CB 4.4Å; V228-V256 PolarHBondContact N-O 3.36Å; V228-V256 PolarHBondContact O-N 3.22Å; L230-V256 HydrophobicContact CD1-CG2 4Å; L230-V256 HydrophobicContact CG-CG2 4.27Å; M241-V256 HydrophobicContact CE-CG1 4.19Å; M241-V256 HydrophobicContact CE-CG2 3.89Å; L254-V256 HydrophobicContact CD2-CG2 4.19Å; L254-V256 HydrophobicContact CG-CG2 4.24Å; L254-V256 PolarHBondContact O-N 2.79Å; V256-T260 HydrophobicContact CG1-CG2 4.05Å; V256-Y262 HydrophobicContact CB-CD1 4.45Å; V256-Y262 HydrophobicContact CB-CE1 4.38Å; V256-Y262 HydrophobicContact CG1-CD1 3.61Å; V256-Y262 HydrophobicContact CG1-CE1 3.9Å; V256-Y262 HydrophobicContact CG1-CG 4.3Å; V256-Y262 HydrophobicContact CG2-CD1 4.36Å; V256-Y262 HydrophobicContact CG2-CE1 4.33Å
257L97.2Very high97.9Very high58 Ų5836.3 Ų36.330%0.30423%0.23SC..  trans-74147.8-177.6-64.7175.7000112.2E30 D227 L255 G259 T260E30-L257 HydrophobicContact CB-CD2 4.24Å; E30-L257 HydrophobicContact CG-CD2 3.86Å; D227-L257 WeakPolarHBondContact OD1-CA 3.22Å; L255-L257 HydrophobicContact CD2-CD2 3.71Å; L255-L257 HydrophobicContact CG-CD2 4.28Å; L257-G259 PolarHBondContact O-N 2.78Å; L257-T260 WeakPolarHBondContact O-CB 3.1Å; L257-T260 PolarHBondContact O-N 2.87Å; L257-T260 VanDerWaalsContact O-N 3.11Å; L257-T260 PolarHBondContact O-OG1 2.94Å
258A96.9Very high97.9Very high41 Ų4141 Ų4134%0.33924%0.244SC..THydrogen-bonded Turntrans-44.4138.5167.800000112Q224 V226 D227 T260Q224-A258 CarbonylContact O-C 3.48Å; V226-A258 WeakPolarHBondContact O-CA 3.41Å; D227-A258 PolarHBondContact OD1-N 3.3Å; A258-T260 VanDerWaalsContact C-N 3.3Å; A258-T260 PolarHBondContact O-N 3.09Å
259G96Very high97.8Very high35 Ų3542.6 Ų42.636%0.36126%0.261SS..THydrogen-bonded Turntrans83.2-2.2-177.300000114.9R223 Q224 L257R223-G259 WeakPolarHBondContact CD-O 3.18Å; R223-G259 WeakPolarHBondContact CG-O 3.37Å; R223-G259 PolarHBondContact NE-O 2.81Å; Q224-G259 PolarHBondContact O-N 2.93Å; L257-G259 PolarHBondContact O-N 2.78Å
260T95.3Very high97.7Very high45 Ų4540.6 Ų40.628%0.27625%0.245SC..  trans-92.1122.9179.5-50.60000110.8M241 V256 L257 A258M241-T260 HydrophobicContact CB-CG2 4.11Å; M241-T260 HydrophobicContact SD-CG2 4.45Å; V256-T260 HydrophobicContact CG1-CG2 4.05Å; L257-T260 WeakPolarHBondContact O-CB 3.1Å; L257-T260 PolarHBondContact O-N 2.87Å; L257-T260 VanDerWaalsContact O-N 3.11Å; L257-T260 PolarHBondContact O-OG1 2.94Å; A258-T260 VanDerWaalsContact C-N 3.3Å; A258-T260 PolarHBondContact O-N 3.09Å
261S96.1Very high97.7Very high61 Ų6137 Ų3743%0.42722%0.222SC..  trans-81.3141163-66.10000109.7G221 R223G221-S261 WeakPolarHBondContact O-CA 3.23Å; R223-S261 WeakPolarHBondContact CG-OG 3.28Å
262Y97.4Very high97.8Very high27 Ų2735.5 Ų35.511%0.10621%0.213CC..EExtended strand (participates in β ladder)trans-145.4151.4174.268.8-80000111.6G221 L230 V239 T240 V256 W264G221-Y262 PolarHBondContact N-O 3.09Å; G221-Y262 PolarHBondContact O-N 3.27Å; L230-Y262 HydrophobicContact CD1-CE2 4.19Å; V239-Y262 HydrophobicContact CG1-CD2 3.94Å; V239-Y262 HydrophobicContact CG1-CG 4.32Å; T240-Y262 CarbonylContact O-C 3.59Å; T240-Y262 WeakPolarHBondContact O-CA 3.34Å; V256-Y262 HydrophobicContact CB-CD1 4.45Å; V256-Y262 HydrophobicContact CB-CE1 4.38Å; V256-Y262 HydrophobicContact CG1-CD1 3.61Å; V256-Y262 HydrophobicContact CG1-CE1 3.9Å; V256-Y262 HydrophobicContact CG1-CG 4.3Å; V256-Y262 HydrophobicContact CG2-CD1 4.36Å; V256-Y262 HydrophobicContact CG2-CE1 4.33Å; Y262-W264 HydrophobicContact CD2-CB 4.08Å; Y262-W264 HydrophobicContact CE2-CB 4.03Å
263A97.9Very high97.8Very high31 Ų3134.4 Ų34.426%0.25621%0.207SC..EExtended strand (participates in β ladder)trans-106.2146.1162.400000108.5S219 V239 T240S219-A263 CarbonylContact O-C 3.53Å; S219-A263 WeakPolarHBondContact O-CA 3.31Å; V239-A263 CarbonylContact C-O 3.55Å; V239-A263 WeakPolarHBondContact CA-O 3.4Å; T240-A263 PolarHBondContact N-O 2.62Å; T240-A263 PolarHBondContact O-N 3.37Å
264W98.5Very high97.8Very high2 Ų234.6 Ų34.61%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-134.5115.1-176.8-171.724000110.6Y214 S218 S219 L230 S237 V238 V239 Y262 R266 A272Y214-W264 HydrophobicContact CD1-CZ3 4.37Å; Y214-W264 HydrophobicContact CD2-CH2 4.08Å; Y214-W264 AromaticContact CD2-CZ3 3.7Å; Y214-W264 HydrophobicContact CD2-CZ3 3.7Å; Y214-W264 AromaticContact CE2-CZ3 3.96Å; Y214-W264 HydrophobicContact CE2-CZ3 3.96Å; Y214-W264 HydrophobicContact CG-CH2 4.4Å; Y214-W264 AromaticContact CG-CZ3 3.94Å; Y214-W264 HydrophobicContact CG-CZ3 3.94Å; S218-W264 CarbonylContact C-O 3.26Å; S218-W264 VanDerWaalsContact CA-O 3.24Å; S218-W264 WeakPolarHBondContact CA-O 3.46Å; S219-W264 PolarHBondContact N-O 2.95Å; S219-W264 PolarHBondContact O-N 3.43Å; L230-W264 HydrophobicContact CD1-CD2 4.15Å; L230-W264 HydrophobicContact CD1-CE3 4.35Å; L230-W264 HydrophobicContact CD1-CZ2 4.38Å; L230-W264 HydrophobicContact CD2-CE3 4.24Å; L230-W264 HydrophobicContact CD2-CH2 4.04Å; L230-W264 HydrophobicContact CD2-CZ3 3.85Å; S237-W264 PolarHBondContact OG-NE1 3.15Å; V238-W264 WeakPolarHBondContact O-CA 3.37Å; V239-W264 VanDerWaalsContact CG2-CD1 3.4Å; V239-W264 HydrophobicContact CG2-CG 4.04Å; Y262-W264 HydrophobicContact CD2-CB 4.08Å; Y262-W264 HydrophobicContact CE2-CB 4.03Å; W264-R266 HydrophobicContact CD2-CG 4.14Å; W264-R266 HydrophobicContact CG-CG 4.4Å; W264-R266 HydrophobicContact CZ2-CG 4.12Å; W264-R266 PolarHBondContact O-NH1 2.76Å; W264-A272 HydrophobicContact CH2-CB 3.46Å; W264-A272 VanDerWaalsContact CH2-CB 3.46Å; W264-A272 HydrophobicContact CZ2-CB 3.47Å; W264-A272 VanDerWaalsContact CZ2-CB 3.47Å
265E98.6Very high97.8Very high114 Ų11434.7 Ų34.753%0.53321%0.21SC..EExtended strand (participates in β ladder)trans-112121.1-178.4-64.2177.1178.900109.8S237 V238S237-E265 CarbonylContact C-O 3.57Å; S237-E265 WeakPolarHBondContact CA-O 3.46Å; S237-E265 WeakPolarHBondContact CB-O 3.31Å; V238-E265 PolarHBondContact N-O 2.86Å; V238-E265 PolarHBondContact O-N 2.93Å
266R98.6Very high97.8Very high17 Ų1735.5 Ų35.56%0.06422%0.215CC..EExtended strand (participates in β ladder)trans-114.3128.8-172.6-64.7172.8-61-82.1-3.7110.1G215 G217 S219 W264 S270G215-R266 WeakPolarHBondContact O-CD 3.3Å; G215-R266 PolarHBondContact O-NE 3.2Å; G217-R266 PolarHBondContact N-O 2.74Å; G217-R266 VanDerWaalsContact N-O 3.11Å; G217-R266 PolarHBondContact O-N 2.73Å; S219-R266 PolarHBondContact OG-NH1 3.09Å; S219-R266 PolarHBondContact OG-NH2 2.87Å; W264-R266 HydrophobicContact CD2-CG 4.14Å; W264-R266 HydrophobicContact CG-CG 4.4Å; W264-R266 HydrophobicContact CZ2-CG 4.12Å; W264-R266 PolarHBondContact O-NH1 2.76Å; R266-S270 WeakPolarHBondContact CB-OG 3.28Å
267T98.4Very high97.8Very high69 Ų6935.3 Ų35.342%0.42321%0.213SC..  trans-71.2164.1-17465.80000112Q216 S236 G269 S270Q216-T267 WeakPolarHBondContact CB-O 3.49Å; S236-T267 PolarHBondContact N-OG1 3.39Å; S236-T267 WeakPolarHBondContact O-CG2 3.36Å; S236-T267 PolarHBondContact O-N 2.96Å; S236-T267 PolarHBondContact O-OG1 2.87Å; T267-G269 PolarHBondContact O-N 3.42Å; T267-S270 PolarHBondContact N-OG 2.95Å; T267-S270 VanDerWaalsContact O-CB 3.24Å; T267-S270 WeakPolarHBondContact O-CB 3.18Å; T267-S270 PolarHBondContact O-N 2.95Å; T267-S270 VanDerWaalsContact O-N 3.13Å; T267-S270 PolarHBondContact O-OG 2.89Å
268Q97.9Very high97.9Very high167 Ų16733.9 Ų33.978%0.7821%0.206SC*.THydrogen-bonded Turntrans-53.6135.2173.3-179.3172.223.400111.8Q216 S270Q216-Q268 VanDerWaalsContact OE1-CA 3.27Å; Q268-S270 PolarHBondContact O-N 3.02Å
269G96.4Very high97.9Very high36 Ų3633.3 Ų33.337%0.37120%0.199SC..THydrogen-bonded Turntrans75-2.5178.700000114.9Q195 T267Q195-G269 VanDerWaalsContact OE1-CA 3.31Å; Q195-G269 VanDerWaalsContact OE1-N 3.07Å; T267-G269 PolarHBondContact O-N 3.42Å
270S98.4Very high98Very high0 Ų035.6 Ų35.60%022%0.215CC..  trans-71.3152.6177.567.50000111.8Q195 G215 E234 R266 T267 Q268Q195-S270 PolarHBondContact NE2-O 3.08Å; G215-S270 WeakPolarHBondContact CA-O 3.21Å; E234-S270 CarbonylContact O-C 3.57Å; E234-S270 VanDerWaalsContact O-CA 3.24Å; E234-S270 WeakPolarHBondContact O-CA 3.27Å; E234-S270 WeakPolarHBondContact O-CB 3.22Å; R266-S270 WeakPolarHBondContact CB-OG 3.28Å; T267-S270 PolarHBondContact N-OG 2.95Å; T267-S270 VanDerWaalsContact O-CB 3.24Å; T267-S270 WeakPolarHBondContact O-CB 3.18Å; T267-S270 PolarHBondContact O-N 2.95Å; T267-S270 VanDerWaalsContact O-N 3.13Å; T267-S270 PolarHBondContact O-OG 2.89Å; Q268-S270 PolarHBondContact O-N 3.02Å
271V98.7Very high98.1Very high2 Ų236.1 Ų36.11%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-135.6130.8173.6-178.50000108.2L187 Y214 Q232 L233 E234L187-V271 HydrophobicContact CD1-CG1 4.04Å; L187-V271 HydrophobicContact CD2-CG1 3.76Å; L187-V271 HydrophobicContact CG-CG1 4.4Å; Y214-V271 WeakPolarHBondContact O-CA 3.44Å; Q232-V271 PolarHBondContact NE2-O 3.16Å; Q232-V271 VanDerWaalsContact NE2-O 3.13Å; L233-V271 HydrophobicContact CD1-CG1 4.42Å; L233-V271 PolarHBondContact N-O 3.18Å; E234-V271 HydrophobicContact CB-CB 4.05Å; E234-V271 HydrophobicContact CB-CG2 4.33Å; E234-V271 HydrophobicContact CG-CB 4.32Å; E234-V271 PolarHBondContact N-O 3.27Å; E234-V271 PolarHBondContact O-N 3.14Å
272A98.8Very high98.1Very high0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-142.4157.2178.700000111.7A213 Y214 W231 W264A213-A272 CarbonylContact C-O 3.51Å; A213-A272 WeakPolarHBondContact CA-O 3.4Å; Y214-A272 PolarHBondContact N-O 3.4Å; Y214-A272 PolarHBondContact O-N 3.36Å; W231-A272 CarbonylContact O-C 3.55Å; W231-A272 VanDerWaalsContact O-CA 3.23Å; W231-A272 WeakPolarHBondContact O-CA 3.31Å; W231-A272 WeakPolarHBondContact O-CB 3.4Å; W264-A272 HydrophobicContact CH2-CB 3.46Å; W264-A272 VanDerWaalsContact CH2-CB 3.46Å; W264-A272 HydrophobicContact CZ2-CB 3.47Å; W264-A272 VanDerWaalsContact CZ2-CB 3.47Å
273L98.8Very high97.9Very high6 Ų637.8 Ų37.83%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-110.7149.9170.7-59.7-179000110.5L183 L202 V211 T212 A213 L230 W231 L233L183-L273 HydrophobicContact CD1-CD1 4.25Å; L183-L273 HydrophobicContact CD2-CD1 4.05Å; L202-L273 HydrophobicContact CD1-CD2 4.19Å; V211-L273 HydrophobicContact CG1-CD1 4.4Å; T212-L273 CarbonylContact O-C 3.53Å; T212-L273 VanDerWaalsContact O-CA 3.3Å; T212-L273 WeakPolarHBondContact O-CA 3.37Å; A213-L273 HydrophobicContact CB-CD2 3.82Å; L230-L273 CarbonylContact C-O 3.52Å; L230-L273 WeakPolarHBondContact CA-O 3.15Å; W231-L273 PolarHBondContact N-O 2.76Å; W231-L273 PolarHBondContact O-N 3.28Å; L233-L273 HydrophobicContact CD1-CD1 4.01Å; L233-L273 HydrophobicContact CD1-CD2 4.39Å; L233-L273 HydrophobicContact CD1-CG 3.8Å; L233-L273 HydrophobicContact CG-CG 4.33Å
274S98.8Very high97.1Very high4 Ų441.7 Ų41.73%0.02824%0.242CC..EExtended strand (participates in β ladder)trans-118141.9156.472.90000110V211 T212 Y214 W229V211-S274 WeakPolarHBondContact CA-O 3.25Å; T212-S274 PolarHBondContact N-O 3.44Å; T212-S274 PolarHBondContact O-N 2.71Å; Y214-S274 WeakPolarHBondContact CE2-OG 2.88Å; W229-S274 CarbonylContact O-C 3.5Å; W229-S274 VanDerWaalsContact O-CA 3.32Å; W229-S274 WeakPolarHBondContact O-CA 3.37Å
275V98.8Very high95.7Very high6 Ų648.7 Ų48.74%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-118.5129171.5-174.50000109.3L32 V54 V104 T209 Q210 V211 W229L32-V275 WeakPolarHBondContact CD1-O 3.49Å; V54-V275 HydrophobicContact CG2-CG1 4.44Å; V104-V275 HydrophobicContact CB-CG1 4.39Å; V104-V275 HydrophobicContact CG1-CG1 3.93Å; T209-V275 HydrophobicContact CG2-CG1 4.42Å; Q210-V275 WeakPolarHBondContact O-CA 3.39Å; V211-V275 HydrophobicContact CG1-CG2 4.31Å; V211-V275 HydrophobicContact CG2-CG1 4.3Å; V211-V275 HydrophobicContact CG2-CG2 4.18Å; W229-V275 HydrophobicContact CE3-CB 4.5Å; W229-V275 HydrophobicContact CE3-CG2 4.06Å; W229-V275 PolarHBondContact N-O 2.83Å; W229-V275 PolarHBondContact O-N 2.72Å
276T98.6Very high95.6Very high20 Ų2045.4 Ų45.412%0.12327%0.266CS..EExtended strand (participates in β ladder)trans-135.4138.4172.1-55.20000109.4T209 Q210 V226 D278T209-T276 WeakPolarHBondContact CA-O 3.28Å; Q210-T276 PolarHBondContact N-O 3.34Å; Q210-T276 PolarHBondContact O-N 3.35Å; V226-T276 HydrophobicContact CG2-CG2 3.69Å; T276-D278 HydrophobicContact CG2-CB 4.49Å
277Q98.8Very high95.4Very high0 Ų046.9 Ų46.90%028%0.277CS..EExtended strand (participates in β ladder)trans-12892.4171.5-69.3-175.2-41.600108Q31 L32 E52 E105 R106 T209Q31-Q277 PolarHBondContact NE2-O 3.49Å; L32-Q277 HydrophobicContact CD2-CB 3.88Å; L32-Q277 HydrophobicContact CD2-CG 4.14Å; E52-Q277 PolarHBondContact O-NE2 2.63Å; E105-Q277 PolarHBondContact O-OE1 2.74Å; R106-Q277 HydrophobicContact CB-CB 3.9Å; R106-Q277 WeakPolarHBondContact CD-O 3.31Å; R106-Q277 HydrophobicContact CG-CB 4.08Å; T209-Q277 HydrophobicContact CG2-CG 3.85Å; T209-Q277 WeakPolarHBondContact OG1-CG 3.39Å; T209-Q277 PolarHBondContact OG1-NE2 3.35Å
278D98.4Very high95.3Very high28 Ų2845.7 Ų45.715%0.1527%0.269CS..  trans-93.4114.6179.9-172.4-12.3000110E208 V226 T276 A280 C281E208-D278 WeakPolarHBondContact CG-O 3.38Å; V226-D278 HydrophobicContact CG1-CB 4.11Å; V226-D278 HydrophobicContact CG2-CB 4.13Å; T276-D278 HydrophobicContact CG2-CB 4.49Å; D278-A280 PolarHBondContact O-N 3.41Å; D278-A280 VanDerWaalsContact OD1-CB 3.25Å; D278-A280 WeakPolarHBondContact OD1-CB 3.47Å; D278-A280 PolarHBondContact OD1-N 2.87Å; D278-C281 HydrophobicContact CB-CB 4.49Å; D278-C281 WeakPolarHBondContact O-CA 3.4Å; D278-C281 WeakPolarHBondContact O-CB 3.42Å; D278-C281 PolarHBondContact O-N 2.76Å
279P97.8Very high95.1Very high30 Ų3038.5 Ų38.520%0.19524%0.239CC..G310 helixtrans-58.8-20176.422.5-32.1000113.5L109 C281 K282L109-P279 HydrophobicContact CD1-CB 4.05Å; L109-P279 HydrophobicContact CD2-CB 3.85Å; L109-P279 HydrophobicContact CD2-CG 3.91Å; L109-P279 HydrophobicContact CG-CB 4.04Å; P279-C281 PolarHBondContact O-N 3.05Å; P279-K282 WeakPolarHBondContact O-CB 3.16Å; P279-K282 PolarHBondContact O-N 3.21Å
280A97.6Very high95Very high83 Ų8338.7 Ų38.769%0.68623%0.23SC*.G310 helixtrans-67.6-19.7171.900000112.8D278D278-A280 PolarHBondContact O-N 3.41Å; D278-A280 VanDerWaalsContact OD1-CB 3.25Å; D278-A280 WeakPolarHBondContact OD1-CB 3.47Å; D278-A280 PolarHBondContact OD1-N 2.87Å
281C97.4Very high94.8Very high56 Ų5641.3 Ų41.338%0.37825%0.246SC..G310 helixtrans-93.54174.9-63.10000113.3E208 D278 P279 K283E208-C281 HydrophobicContact CG-CB 4.23Å; D278-C281 HydrophobicContact CB-CB 4.49Å; D278-C281 WeakPolarHBondContact O-CA 3.4Å; D278-C281 WeakPolarHBondContact O-CB 3.42Å; D278-C281 PolarHBondContact O-N 2.76Å; P279-C281 PolarHBondContact O-N 3.05Å; C281-K283 VanDerWaalsContact O-CE 3.3Å; C281-K283 WeakPolarHBondContact O-CE 3.35Å; C281-K283 PolarHBondContact O-N 2.95Å
282K96.4Very high94.5Very high55 Ų5544.1 Ų44.124%0.23926%0.262CS..PPolyproline II helixtrans-54.5131.1178.8-172.5173.8178.8-178.70109.9E50 E112 E208 P279E50-K282 WeakPolarHBondContact O-CE 3.35Å; E50-K282 IonicContact OE2-NZ 3.06Å; E50-K282 PolarHBondContact OE2-NZ 3.16Å; E112-K282 WeakPolarHBondContact OE1-CE 3.5Å; E112-K282 IonicContact OE1-NZ 2.58Å; E112-K282 PolarHBondContact OE1-NZ 3.19Å; E208-K282 VanDerWaalsContact OE2-CB 3.31Å; E208-K282 WeakPolarHBondContact OE2-CB 3.46Å; P279-K282 WeakPolarHBondContact O-CB 3.16Å; P279-K282 PolarHBondContact O-N 3.21Å
283K92.4Very high94.2Very high67 Ų6747.5 Ų47.529%0.29128%0.283SS..PPolyproline II helixtrans-77.3134.6-176.7-54.7-58.4163.8-1790110.7D205 T206 Y207 C281D205-K283 WeakPolarHBondContact O-CE 3.28Å; D205-K283 PolarHBondContact O-NZ 3.42Å; T206-K283 WeakPolarHBondContact O-CG 3.22Å; Y207-K283 WeakPolarHBondContact O-CE 3.37Å; Y207-K283 PolarHBondContact O-NZ 3.29Å; C281-K283 VanDerWaalsContact O-CE 3.3Å; C281-K283 WeakPolarHBondContact O-CE 3.35Å; C281-K283 PolarHBondContact O-N 2.95Å
284P80.9Confident93.8Very high114 Ų11450.9 Ų50.974%0.7430%0.303SS*.PPolyproline II helixtrans-60155.3164.529.4-33.3000109
285L70.1Confident93.4Very high148 Ų14855.2 Ų55.278%0.77533%0.328SS*.  trans-58.90171.6-81.2162.2000112.1R88 P171R88-L285 VanDerWaalsContact NH1-CD1 3.26Å; R88-L285 VanDerWaalsContact NH2-CD2 3.29Å; R88-L285 VanDerWaalsContact NH2-CG 3.34Å; P171-L285 HydrophobicContact CB-CD1 3.75Å; P171-L285 HydrophobicContact CB-CD2 4Å; P171-L285 HydrophobicContact CG-CD1 3.48Å; P171-L285 VanDerWaalsContact CG-CD1 3.48Å

Retrieved 285 of 285 residues in 804.4 ms (Link to these results)

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