A0A077ZGX5_TRITR Loading...

sphinganine-1-phosphate aldolase

AlphaFold DB , UniProt , Accession A0A077ZGX5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 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
1M46.2Very low53.4Low187 Ų18787.9 Ų87.992%0.92149%0.492SS*.  0142.60-80.9179.3-177.800106.5F3M1-F3 PolarHBondContact O-N 3.04Å
2L45.6Very low56.5Low24 Ų2490 Ų9013%0.12649%0.486CS..  trans-50.81.6175.7-85.2151.2000115.5P148 F161 M189L2-P148 HydrophobicContact CD2-CB 4.35Å; L2-P148 HydrophobicContact CD2-CG 3.37Å; L2-P148 HydrophobicContact CG-CB 4.33Å; L2-P148 HydrophobicContact CG-CG 3.54Å; L2-F161 HydrophobicContact CD2-CE2 4.19Å; L2-M189 HydrophobicContact CD1-CE 4.3Å
3F47.7Very low59.5Low39 Ų3983.8 Ų83.817%0.17146%0.455CS..SBendtrans-144.8111.1-171.2-44.8-66.9000109.3M1 N5 L10 F163 M189M1-F3 PolarHBondContact O-N 3.04Å; F3-N5 PolarHBondContact O-N 3.04Å; F3-L10 HydrophobicContact CD1-CD1 3.26Å; F3-L10 HydrophobicContact CE1-CD1 3.66Å; F3-L10 HydrophobicContact CG-CD1 3.91Å; F3-F163 HydrophobicContact CD1-CD2 4.14Å; F3-F163 AromaticContact CE1-CD2 3.56Å; F3-F163 HydrophobicContact CE1-CD2 3.56Å; F3-F163 AromaticContact CE1-CE2 3.77Å; F3-F163 HydrophobicContact CE1-CE2 3.77Å; F3-F163 HydrophobicContact CZ-CE2 4.4Å; F3-M189 HydrophobicContact CE1-SD 4.5Å; F3-M189 HydrophobicContact CE2-SD 4.01Å; F3-M189 HydrophobicContact CZ-CE 4.24Å; F3-M189 HydrophobicContact CZ-SD 3.43Å; F3-M189 WeakPolarHBondContact CZ-SD 3.46Å
4P40.2Very low62.2Low86 Ų8681.6 Ų81.656%0.55845%0.445SS*.  trans-71.2105159.83.711.6000108.1S6P4-S6 VanDerWaalsContact C-N 3.32Å; P4-S6 PolarHBondContact O-N 3.43Å
5N36.1Very low64.6Low168 Ų16876.5 Ų76.590%0.89842%0.418SS*.SBendtrans31.817.4150.8-69.9-8.4000123.9F3F3-N5 PolarHBondContact O-N 3.04Å
6S39.2Very low66.7Low88 Ų8876.3 Ų76.362%0.61542%0.423SS*.  trans-139.119.9-177.473.70000118.1P4P4-S6 VanDerWaalsContact C-N 3.32Å; P4-S6 PolarHBondContact O-N 3.43Å
7H50.4Low68.5Low97 Ų9772.3 Ų72.345%0.44940%0.404SS..  trans-128.880.9176.6-57.3-56.8000112.2D9 L10H7-D9 PolarHBondContact O-N 3.5Å; H7-D9 VanDerWaalsContact O-N 3.08Å; H7-L10 HydrophobicContact CB-CD1 3.78Å; H7-L10 HydrophobicContact CB-CD2 4.47Å; H7-L10 HydrophobicContact CB-CG 3.6Å; H7-L10 PolarHBondContact O-N 3.2Å
8S52.5Low70.2Confident116 Ų11668.7 Ų68.781%0.81139%0.385SS*.THydrogen-bonded Turntrans-57-14.7169.754.70000113.6
9D65.9Low71.7Confident112 Ų11268.1 Ų68.160%0.59938%0.384SS*.THydrogen-bonded Turntrans-97.2-2.8-176-64.2-21.4000114.4H7 L11H7-D9 PolarHBondContact O-N 3.5Å; H7-D9 VanDerWaalsContact O-N 3.08Å; D9-L11 PolarHBondContact O-N 3.05Å
10L76.2Confident73Confident13 Ų1365.6 Ų65.67%0.06837%0.369CS..  trans-70.6122.2174.6-69178.8000110F3 H7 F163F3-L10 HydrophobicContact CD1-CD1 3.26Å; F3-L10 HydrophobicContact CE1-CD1 3.66Å; F3-L10 HydrophobicContact CG-CD1 3.91Å; H7-L10 HydrophobicContact CB-CD1 3.78Å; H7-L10 HydrophobicContact CB-CD2 4.47Å; H7-L10 HydrophobicContact CB-CG 3.6Å; H7-L10 PolarHBondContact O-N 3.2Å; L10-F163 HydrophobicContact CD1-CD2 3.72Å; L10-F163 HydrophobicContact CD1-CE2 4.19Å; L10-F163 HydrophobicContact CD2-CB 4.46Å; L10-F163 HydrophobicContact CD2-CD1 4.31Å; L10-F163 HydrophobicContact CD2-CD2 3.46Å; L10-F163 VanDerWaalsContact CD2-CD2 3.46Å; L10-F163 HydrophobicContact CD2-CE1 4.45Å; L10-F163 HydrophobicContact CD2-CE2 3.66Å; L10-F163 HydrophobicContact CD2-CG 3.84Å; L10-F163 HydrophobicContact CD2-CZ 4.16Å; L10-F163 HydrophobicContact CG-CD2 4.24Å; L10-F163 HydrophobicContact CG-CE2 4.5Å
11L87.7Confident74.3Confident37 Ų3762.4 Ų62.419%0.19435%0.351CS..EExtended strand (participates in β ladder)trans-113.5148.7179.6-56.9161.6000111.2D9 M189 Y190 R193 M196D9-L11 PolarHBondContact O-N 3.05Å; L11-M189 CarbonylContact O-C 3.51Å; L11-M189 WeakPolarHBondContact O-CA 3.41Å; L11-Y190 PolarHBondContact N-O 3.09Å; L11-Y190 PolarHBondContact O-N 3.46Å; L11-R193 HydrophobicContact CD1-CB 3.48Å; L11-R193 VanDerWaalsContact CD1-CB 3.48Å; L11-R193 HydrophobicContact CD1-CG 3.68Å; L11-M196 HydrophobicContact CB-CB 4.35Å; L11-M196 HydrophobicContact CB-CE 4.27Å; L11-M196 HydrophobicContact CB-CG 4.34Å; L11-M196 HydrophobicContact CB-SD 3.2Å; L11-M196 WeakPolarHBondContact CB-SD 3.46Å; L11-M196 HydrophobicContact CD1-CB 4.06Å; L11-M196 HydrophobicContact CD1-SD 3.74Å; L11-M196 HydrophobicContact CD2-SD 4.45Å; L11-M196 HydrophobicContact CG-SD 3.99Å
12R90.2Very high76.8Confident113 Ų11353.6 Ų53.643%0.42631%0.308SS..EExtended strand (participates in β ladder)trans-141.2144.4-166.9-46.9-173.4174.288.22.7110.5V187 I188 M189 M196R12-V187 HydrophobicContact CB-CG1 4.15Å; R12-I188 CarbonylContact C-O 3.57Å; R12-I188 WeakPolarHBondContact CA-O 3.29Å; R12-M189 HydrophobicContact CB-CG 4.18Å; R12-M189 HydrophobicContact CG-CB 4.34Å; R12-M189 HydrophobicContact CG-CG 3.8Å; R12-M189 HydrophobicContact CG-SD 4.38Å; R12-M196 VanDerWaalsContact O-CE 3.29Å; R12-M196 WeakPolarHBondContact O-CE 2.98Å
13A95.1Very high79.3Confident9 Ų953.4 Ų53.47%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-129.5134.7167.800000109.6V187 I188 M196 T215A13-V187 WeakPolarHBondContact O-CA 3.42Å; A13-I188 HydrophobicContact CB-CG2 3.92Å; A13-I188 PolarHBondContact N-O 2.99Å; A13-I188 PolarHBondContact O-N 3.17Å; A13-M196 HydrophobicContact CB-CE 4.17Å; A13-T215 HydrophobicContact CB-CG2 4.1Å
14V97.6Very high81.7Confident53 Ų5351.6 Ų51.632%0.32130%0.299SS..EExtended strand (participates in β ladder)trans-79.6129.7169.9-177.90000108.4S186 R220 V225V14-S186 WeakPolarHBondContact CA-O 3.45Å; V14-R220 PolarHBondContact O-NH1 3.29Å; V14-V225 HydrophobicContact CG1-CG1 4.45Å; V14-V225 HydrophobicContact CG1-CG2 4.11Å
15T98.3Very high84.5Confident6 Ų647.5 Ų47.54%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-119.3169-177.166.30000110.1G17 E20 S21 L24 T185 S186 I188 T215T15-G17 PolarHBondContact O-N 3.49Å; T15-G17 PolarHBondContact OG1-O 2.61Å; T15-E20 HydrophobicContact CG2-CG 4.11Å; T15-S21 PolarHBondContact OG1-OG 3.16Å; T15-L24 HydrophobicContact CG2-CD1 3.69Å; T15-T185 CarbonylContact O-C 3.57Å; T15-T185 WeakPolarHBondContact O-CA 3.44Å; T15-S186 PolarHBondContact N-O 2.74Å; T15-S186 PolarHBondContact O-N 3.4Å; T15-S186 VanDerWaalsContact OG1-CB 3.27Å; T15-S186 WeakPolarHBondContact OG1-CB 3.46Å; T15-S186 PolarHBondContact OG1-O 3.22Å; T15-I188 HydrophobicContact CG2-CB 4.4Å; T15-I188 HydrophobicContact CG2-CG2 3.78Å; T15-T215 HydrophobicContact CG2-CG2 4.29Å
16S97.7Very high87.4Confident72 Ų7239.5 Ų39.550%0.50323%0.229SC..SBendtrans-71.7-15.2177.459.90000113.9E20 G184 T185S16-E20 VanDerWaalsContact CB-OE2 3.24Å; S16-E20 WeakPolarHBondContact CB-OE2 3.31Å; S16-E20 PolarHBondContact N-OE2 3.37Å; S16-E20 PolarHBondContact OG-OE2 3.45Å; S16-G184 WeakPolarHBondContact CA-O 3.42Å; S16-G184 CarbonylContact O-C 3.41Å; S16-G184 WeakPolarHBondContact O-CA 3.49Å; S16-T185 PolarHBondContact O-N 3.01Å
17G98.3Very high90.2Very high9 Ų936.5 Ų36.59%0.09321%0.206CC..SBendtrans165.4171.4-177.700000113T15 T19 E20 S21 S186T15-G17 PolarHBondContact O-N 3.49Å; T15-G17 PolarHBondContact OG1-O 2.61Å; G17-T19 PolarHBondContact O-N 2.77Å; G17-E20 PolarHBondContact O-N 2.9Å; G17-S21 PolarHBondContact O-N 3.44Å; G17-S21 PolarHBondContact O-OG 3.01Å; G17-S186 VanDerWaalsContact CA-CB 3.43Å
18G98.4Very high92.5Very high7 Ų731.9 Ų31.97%0.07219%0.185CC..Hα-helixtrans-55.7-36-175.900000114.3E20 S21 I22 C141 D174G18-E20 PolarHBondContact O-N 3.4Å; G18-S21 WeakPolarHBondContact O-CB 3.35Å; G18-S21 PolarHBondContact O-N 2.98Å; G18-I22 WeakPolarHBondContact O-CG1 3.46Å; G18-I22 PolarHBondContact O-N 2.95Å; G18-C141 WeakPolarHBondContact CA-SG 3.49Å; G18-D174 WeakPolarHBondContact CA-OD1 3.48Å; G18-D174 PolarHBondContact N-OD1 2.93Å
19T98.7Very high94.6Very high57 Ų5726.4 Ų26.435%0.3515%0.146SC..Hα-helixtrans-58.7-47.7174.1-59.40000111.8G17 I22 L23 A52 K55G17-T19 PolarHBondContact O-N 2.77Å; T19-I22 PolarHBondContact O-N 3.39Å; T19-L23 HydrophobicContact CG2-CD1 3.83Å; T19-L23 WeakPolarHBondContact O-CD1 3.3Å; T19-L23 PolarHBondContact O-N 3.05Å; T19-A52 HydrophobicContact CG2-CB 4.05Å; T19-K55 HydrophobicContact CG2-CD 4.26Å
20E98.7Very high96Very high18 Ų1823.2 Ų23.28%0.08413%0.126CC..Hα-helixtrans-64.5-41.9176.1174.9167.5-152.900111.2T15 S16 G17 G18 I22 L23 L24 T215 F216T15-E20 HydrophobicContact CG2-CG 4.11Å; S16-E20 VanDerWaalsContact CB-OE2 3.24Å; S16-E20 WeakPolarHBondContact CB-OE2 3.31Å; S16-E20 PolarHBondContact N-OE2 3.37Å; S16-E20 PolarHBondContact OG-OE2 3.45Å; G17-E20 PolarHBondContact O-N 2.9Å; G18-E20 PolarHBondContact O-N 3.4Å; E20-I22 VanDerWaalsContact C-N 3.32Å; E20-I22 PolarHBondContact O-N 2.98Å; E20-L23 PolarHBondContact O-N 3.25Å; E20-L24 HydrophobicContact CG-CD1 3.8Å; E20-L24 HydrophobicContact CG-CG 4.15Å; E20-L24 WeakPolarHBondContact O-CB 3.39Å; E20-L24 WeakPolarHBondContact O-CG 3.33Å; E20-L24 PolarHBondContact O-N 3.42Å; E20-T215 WeakPolarHBondContact OE1-CB 3.45Å; E20-F216 HydrophobicContact CG-CD2 3.87Å; E20-F216 HydrophobicContact CG-CE2 4.41Å; E20-F216 PolarHBondContact OE1-N 2.84Å; E20-F216 VanDerWaalsContact OE1-N 3.11Å
21S98.8Very high96.9Very high0 Ų024.3 Ų24.30%013%0.132CC..Hα-helixtrans-56.9-43.7175.7-60.40000112.4T15 G17 G18 A25 S186T15-S21 PolarHBondContact OG1-OG 3.16Å; G17-S21 PolarHBondContact O-N 3.44Å; G17-S21 PolarHBondContact O-OG 3.01Å; G18-S21 WeakPolarHBondContact O-CB 3.35Å; G18-S21 PolarHBondContact O-N 2.98Å; S21-A25 PolarHBondContact O-N 3.37Å; S21-A25 VanDerWaalsContact O-N 3.14Å; S21-S186 PolarHBondContact OG-OG 2.81Å
22I98.8Very high97.2Very high2 Ų225.5 Ų25.51%0.0113%0.134CC..Hα-helixtrans-67-48.4176.9-72166.5000110.8G18 T19 E20 L24 A25 C26 H50 A52 F53G18-I22 WeakPolarHBondContact O-CG1 3.46Å; G18-I22 PolarHBondContact O-N 2.95Å; T19-I22 PolarHBondContact O-N 3.39Å; E20-I22 VanDerWaalsContact C-N 3.32Å; E20-I22 PolarHBondContact O-N 2.98Å; I22-L24 VanDerWaalsContact C-N 3.31Å; I22-L24 PolarHBondContact O-N 3.33Å; I22-A25 WeakPolarHBondContact O-CB 3.41Å; I22-A25 PolarHBondContact O-N 3.07Å; I22-C26 PolarHBondContact O-N 3Å; I22-C26 PolarHBondContact O-SG 2.95Å; I22-C26 VanDerWaalsContact O-SG 3.38Å; I22-H50 HydrophobicContact CD1-CB 4.22Å; I22-A52 HydrophobicContact CB-CB 4.15Å; I22-A52 HydrophobicContact CD1-CB 3.84Å; I22-A52 HydrophobicContact CG2-CB 3.97Å; I22-F53 HydrophobicContact CD1-CE2 4.07Å; I22-F53 HydrophobicContact CD1-CZ 4.31Å; I22-F53 HydrophobicContact CG1-CE2 4.4Å; I22-F53 HydrophobicContact CG1-CZ 4.15Å; I22-F53 HydrophobicContact CG2-CD1 3.65Å; I22-F53 HydrophobicContact CG2-CD2 4.25Å; I22-F53 HydrophobicContact CG2-CE1 3.6Å; I22-F53 HydrophobicContact CG2-CE2 4.2Å; I22-F53 HydrophobicContact CG2-CG 3.97Å; I22-F53 HydrophobicContact CG2-CZ 3.87Å
23L98.6Very high97.3Very high20 Ų2020.4 Ų20.411%0.10512%0.116CC..Hα-helixtrans-60.1-41.3179.4-93.571.7000111.7T19 E20 C26 M27 A52 K55 A56 F216T19-L23 HydrophobicContact CG2-CD1 3.83Å; T19-L23 WeakPolarHBondContact O-CD1 3.3Å; T19-L23 PolarHBondContact O-N 3.05Å; E20-L23 PolarHBondContact O-N 3.25Å; L23-C26 PolarHBondContact O-N 2.83Å; L23-M27 VanDerWaalsContact O-CB 3.31Å; L23-M27 WeakPolarHBondContact O-CB 3.23Å; L23-M27 PolarHBondContact O-N 3.31Å; L23-A52 HydrophobicContact CD1-CB 4.47Å; L23-K55 HydrophobicContact CD1-CG 4.48Å; L23-A56 HydrophobicContact CD1-CB 4.01Å; L23-A56 HydrophobicContact CG-CB 3.93Å; L23-F216 HydrophobicContact CB-CE2 3.57Å; L23-F216 HydrophobicContact CB-CZ 3.92Å; L23-F216 HydrophobicContact CD2-CE2 4.22Å; L23-F216 HydrophobicContact CD2-CZ 4.39Å
24L98.6Very high97.2Very high0 Ų023.7 Ų23.70%013%0.127CC..Hα-helixtrans-64.4-41.1176.7-75.1173.1000112T15 E20 I22 M27 A28 I188 Y190 Q199 T215 F216T15-L24 HydrophobicContact CG2-CD1 3.69Å; E20-L24 HydrophobicContact CG-CD1 3.8Å; E20-L24 HydrophobicContact CG-CG 4.15Å; E20-L24 WeakPolarHBondContact O-CB 3.39Å; E20-L24 WeakPolarHBondContact O-CG 3.33Å; E20-L24 PolarHBondContact O-N 3.42Å; I22-L24 VanDerWaalsContact C-N 3.31Å; I22-L24 PolarHBondContact O-N 3.33Å; L24-M27 HydrophobicContact CD2-CE 3.82Å; L24-M27 PolarHBondContact O-N 2.77Å; L24-A28 WeakPolarHBondContact O-CB 3.46Å; L24-A28 PolarHBondContact O-N 3.16Å; L24-I188 HydrophobicContact CD1-CG2 4.22Å; L24-Y190 PolarHBondContact O-OH 3.18Å; L24-Q199 HydrophobicContact CD2-CB 4.39Å; L24-T215 HydrophobicContact CD1-CG2 3.81Å; L24-F216 HydrophobicContact CD2-CD2 4Å; L24-F216 HydrophobicContact CD2-CE2 3.79Å; L24-F216 HydrophobicContact CD2-CG 4.45Å; L24-F216 HydrophobicContact CD2-CZ 4.12Å; L24-F216 HydrophobicContact CG-CD2 4.13Å; L24-F216 HydrophobicContact CG-CE2 3.83Å
25A98.4Very high96.9Very high0 Ų025.1 Ų25.10%014%0.144CC..Hα-helixtrans-61.3-48.9174.500000111.4S21 I22 M27 A28 Y29 I188 Y190S21-A25 PolarHBondContact O-N 3.37Å; S21-A25 VanDerWaalsContact O-N 3.14Å; I22-A25 WeakPolarHBondContact O-CB 3.41Å; I22-A25 PolarHBondContact O-N 3.07Å; A25-M27 VanDerWaalsContact C-N 3.32Å; A25-M27 PolarHBondContact O-N 3.34Å; A25-A28 PolarHBondContact O-N 2.88Å; A25-Y29 HydrophobicContact CB-CE2 4.29Å; A25-Y29 WeakPolarHBondContact O-CD2 3.39Å; A25-Y29 PolarHBondContact O-N 3.27Å; A25-I188 HydrophobicContact CB-CD1 3.91Å; A25-Y190 WeakPolarHBondContact CA-OH 3.4Å; A25-Y190 PolarHBondContact N-OH 3.06Å
26C98.4Very high96.3Very high0 Ų028 Ų280%017%0.168CC..Hα-helixtrans-58.3-43.6175.4-69.10000111.9I22 L23 Y29 R30 A56 L60 I62 M106I22-C26 PolarHBondContact O-N 3Å; I22-C26 PolarHBondContact O-SG 2.95Å; I22-C26 VanDerWaalsContact O-SG 3.38Å; L23-C26 PolarHBondContact O-N 2.83Å; C26-Y29 PolarHBondContact O-N 3.36Å; C26-R30 VanDerWaalsContact O-CB 3.31Å; C26-R30 WeakPolarHBondContact O-CB 3.49Å; C26-R30 PolarHBondContact O-N 3.46Å; C26-A56 HydrophobicContact CB-CB 3.76Å; C26-L60 HydrophobicContact CB-CD1 3.9Å; C26-I62 HydrophobicContact CB-CD1 3.98Å; C26-M106 HydrophobicContact CB-SD 4.14Å; C26-M106 VanDerWaalsContact SG-SD 3.65Å
27M97.6Very high95.8Very high26 Ų2626.3 Ų26.313%0.12816%0.162CC..Hα-helixtrans-63.6-43.7177.7-173.3175.875.900111.8L23 L24 A25 Y29 R30 N31 L60 Q199 F216L23-M27 VanDerWaalsContact O-CB 3.31Å; L23-M27 WeakPolarHBondContact O-CB 3.23Å; L23-M27 PolarHBondContact O-N 3.31Å; L24-M27 HydrophobicContact CD2-CE 3.82Å; L24-M27 PolarHBondContact O-N 2.77Å; A25-M27 VanDerWaalsContact C-N 3.32Å; A25-M27 PolarHBondContact O-N 3.34Å; M27-Y29 PolarHBondContact O-N 3.44Å; M27-R30 WeakPolarHBondContact O-CB 3.37Å; M27-R30 PolarHBondContact O-N 2.89Å; M27-N31 WeakPolarHBondContact O-CB 3.44Å; M27-N31 PolarHBondContact O-N 3.06Å; M27-N31 PolarHBondContact O-OD1 3.36Å; M27-L60 HydrophobicContact CB-CD1 3.83Å; M27-L60 HydrophobicContact CB-CD2 4.28Å; M27-L60 HydrophobicContact CG-CD2 4.28Å; M27-L60 HydrophobicContact SD-CD2 4.49Å; M27-Q199 HydrophobicContact CE-CB 4.25Å; M27-Q199 WeakPolarHBondContact CE-O 3.34Å; M27-F216 HydrophobicContact CE-CE1 4.32Å; M27-F216 HydrophobicContact SD-CE1 3.78Å; M27-F216 HydrophobicContact SD-CZ 4.13Å
28A97.5Very high95.3Very high0 Ų026.3 Ų26.30%016%0.16CC..Hα-helixtrans-59.2-46.1177.200000111.6L24 A25 N31 R32 Y190 Q198 Q199L24-A28 WeakPolarHBondContact O-CB 3.46Å; L24-A28 PolarHBondContact O-N 3.16Å; A25-A28 PolarHBondContact O-N 2.88Å; A28-N31 PolarHBondContact O-N 3.5Å; A28-R32 WeakPolarHBondContact O-CB 3.49Å; A28-R32 PolarHBondContact O-N 3.01Å; A28-Y190 HydrophobicContact CB-CE1 4Å; A28-Q198 HydrophobicContact CB-CB 4Å; A28-Q198 WeakPolarHBondContact O-CB 3.09Å; A28-Q199 HydrophobicContact CB-CB 4.05Å
29Y97.3Very high94.8Very high0 Ų032.2 Ų32.20%019%0.186CC..Hα-helixtrans-72.5-32.8179.7-59.5-43.6000113.5A25 C26 M27 A33 M106 P135 H137 T169 S170 Y195A25-Y29 HydrophobicContact CB-CE2 4.29Å; A25-Y29 WeakPolarHBondContact O-CD2 3.39Å; A25-Y29 PolarHBondContact O-N 3.27Å; C26-Y29 PolarHBondContact O-N 3.36Å; M27-Y29 PolarHBondContact O-N 3.44Å; Y29-A33 WeakPolarHBondContact O-CB 3.2Å; Y29-A33 PolarHBondContact O-N 3.27Å; Y29-M106 HydrophobicContact CD2-CB 3.68Å; Y29-M106 HydrophobicContact CD2-CE 3.88Å; Y29-M106 HydrophobicContact CD2-CG 4.33Å; Y29-M106 HydrophobicContact CD2-SD 3.77Å; Y29-M106 HydrophobicContact CE2-CB 4.47Å; Y29-M106 HydrophobicContact CE2-CE 4.26Å; Y29-M106 HydrophobicContact CG-CB 4.01Å; Y29-P135 HydrophobicContact CD1-CB 3.42Å; Y29-P135 VanDerWaalsContact CD1-CB 3.42Å; Y29-P135 HydrophobicContact CD1-CG 3.56Å; Y29-P135 HydrophobicContact CD2-CB 4.42Å; Y29-P135 HydrophobicContact CE1-CB 3.19Å; Y29-P135 HydrophobicContact CE1-CG 3.78Å; Y29-P135 HydrophobicContact CE2-CB 4.25Å; Y29-P135 HydrophobicContact CG-CB 4.03Å; Y29-P135 HydrophobicContact CG-CG 4.25Å; Y29-H137 HydrophobicContact CE2-CB 4.16Å; Y29-T169 PolarHBondContact OH-OG1 2.96Å; Y29-S170 WeakPolarHBondContact OH-CB 3.31Å; Y29-S170 PolarHBondContact OH-N 3.15Å; Y29-S170 PolarHBondContact OH-OG 3.1Å; Y29-Y195 HydrophobicContact CD1-CD1 4.09Å; Y29-Y195 HydrophobicContact CD1-CE1 4.48Å; Y29-Y195 AromaticContact CE1-CD1 3.71Å; Y29-Y195 HydrophobicContact CE1-CD1 3.71Å; Y29-Y195 HydrophobicContact CE1-CE1 4.13Å; Y29-Y195 HydrophobicContact CE1-CG 4.19Å
30R95.4Very high94.4Very high45 Ų4535.6 Ų35.617%0.1720%0.197CC..Hα-helixtrans-61.2-50.3170-168.7-159.264.9-174.4-3.6111.5C26 M27 R32 A33 Y34 P41 L60 I62C26-R30 VanDerWaalsContact O-CB 3.31Å; C26-R30 WeakPolarHBondContact O-CB 3.49Å; C26-R30 PolarHBondContact O-N 3.46Å; M27-R30 WeakPolarHBondContact O-CB 3.37Å; M27-R30 PolarHBondContact O-N 2.89Å; R30-R32 VanDerWaalsContact C-N 3.3Å; R30-R32 PolarHBondContact O-N 3.17Å; R30-A33 CarbonylContact O-C 3.59Å; R30-A33 WeakPolarHBondContact O-CA 3.28Å; R30-A33 WeakPolarHBondContact O-CB 3.37Å; R30-A33 PolarHBondContact O-N 2.97Å; R30-Y34 HydrophobicContact CG-CE1 4.16Å; R30-Y34 HydrophobicContact CG-CE2 4.27Å; R30-Y34 PolarHBondContact O-N 3.17Å; R30-P41 HydrophobicContact CG-CB 4.12Å; R30-P41 HydrophobicContact CG-CG 3.55Å; R30-L60 WeakPolarHBondContact CD-O 3.41Å; R30-L60 PolarHBondContact NH1-O 2.96Å; R30-I62 HydrophobicContact CB-CD1 3.88Å; R30-I62 HydrophobicContact CB-CG1 4.21Å; R30-I62 HydrophobicContact CG-CD1 4.17Å; R30-I62 HydrophobicContact CG-CG1 3.94Å
31N95.4Very high94Very high37 Ų3734.8 Ų34.820%0.19819%0.194CC..Hα-helixtrans-64.2-37.9-178.8-70-5.3000111M27 A28 A33 Y34 A35 Q198M27-N31 WeakPolarHBondContact O-CB 3.44Å; M27-N31 PolarHBondContact O-N 3.06Å; M27-N31 PolarHBondContact O-OD1 3.36Å; A28-N31 PolarHBondContact O-N 3.5Å; N31-A33 VanDerWaalsContact C-N 3.34Å; N31-A33 PolarHBondContact O-N 3.11Å; N31-Y34 PolarHBondContact O-N 3.48Å; N31-A35 WeakPolarHBondContact O-CB 3.23Å; N31-A35 PolarHBondContact O-N 2.89Å; N31-Q198 HydrophobicContact CB-CB 4.12Å; N31-Q198 PolarHBondContact ND2-O 2.94Å
32R94.2Very high93.8Very high62 Ų6234.8 Ų34.823%0.23419%0.194CC..Hα-helixtrans-58.2-44.5168.4179.6-179.8168.5-89.55.3112.2A28 R30 A35 A36 G133 Q198A28-R32 WeakPolarHBondContact O-CB 3.49Å; A28-R32 PolarHBondContact O-N 3.01Å; R30-R32 VanDerWaalsContact C-N 3.3Å; R30-R32 PolarHBondContact O-N 3.17Å; R32-A35 PolarHBondContact O-N 3.49Å; R32-A36 PolarHBondContact O-N 3.45Å; R32-A36 VanDerWaalsContact O-N 3.1Å; R32-G133 PolarHBondContact NH2-O 3.08Å; R32-G133 VanDerWaalsContact NH2-O 3.07Å; R32-Q198 HydrophobicContact CB-CG 4.19Å
33A92.4Very high93.7Very high6 Ų634.7 Ų34.75%0.0519%0.193CC..Hα-helixtrans-65.4-41.3179.500000112Y29 R30 N31 A36 G37 N38 P41 S105Y29-A33 WeakPolarHBondContact O-CB 3.2Å; Y29-A33 PolarHBondContact O-N 3.27Å; R30-A33 CarbonylContact O-C 3.59Å; R30-A33 WeakPolarHBondContact O-CA 3.28Å; R30-A33 WeakPolarHBondContact O-CB 3.37Å; R30-A33 PolarHBondContact O-N 2.97Å; N31-A33 VanDerWaalsContact C-N 3.34Å; N31-A33 PolarHBondContact O-N 3.11Å; A33-A36 CarbonylContact O-C 2.99Å; A33-A36 WeakPolarHBondContact O-CA 3.45Å; A33-A36 PolarHBondContact O-N 3.09Å; A33-A36 VanDerWaalsContact O-N 3.07Å; A33-G37 PolarHBondContact O-N 3.3Å; A33-N38 CarbonylContact C-O 3.55Å; A33-N38 HydrophobicContact CB-CB 4.18Å; A33-N38 PolarHBondContact O-N 2.84Å; A33-P41 HydrophobicContact CB-CB 4.38Å; A33-S105 WeakPolarHBondContact CB-OG 3.25Å
34Y92.3Very high93.6Very high77 Ų7733.7 Ų33.730%0.30219%0.188SC..Hα-helixtrans-59.6-45.8172.7-73.2-3.7000111.7R30 N31 A36 G37 N38 P41R30-Y34 HydrophobicContact CG-CE1 4.16Å; R30-Y34 HydrophobicContact CG-CE2 4.27Å; R30-Y34 PolarHBondContact O-N 3.17Å; N31-Y34 PolarHBondContact O-N 3.48Å; Y34-A36 PolarHBondContact O-N 3.32Å; Y34-G37 PolarHBondContact O-N 2.89Å; Y34-N38 VanDerWaalsContact CD1-O 3.23Å; Y34-N38 WeakPolarHBondContact CD1-O 3.26Å; Y34-P41 HydrophobicContact CE1-CG 3.81Å
35A90.1Very high93.6Very high84 Ų8433.7 Ų33.769%0.69419%0.188SC*.Hα-helixtrans-62.2-23.6175.700000113N31 R32N31-A35 WeakPolarHBondContact O-CB 3.23Å; N31-A35 PolarHBondContact O-N 2.89Å; R32-A35 PolarHBondContact O-N 3.49Å
36A87Confident93.6Very high65 Ų6533.7 Ų33.754%0.53719%0.188SC..THydrogen-bonded Turntrans-92.87.5174.200000113.8R32 A33 Y34R32-A36 PolarHBondContact O-N 3.45Å; R32-A36 VanDerWaalsContact O-N 3.1Å; A33-A36 CarbonylContact O-C 2.99Å; A33-A36 WeakPolarHBondContact O-CA 3.45Å; A33-A36 PolarHBondContact O-N 3.09Å; A33-A36 VanDerWaalsContact O-N 3.07Å; Y34-A36 PolarHBondContact O-N 3.32Å
37G87.2Confident93.6Very high37 Ų3737.6 Ų37.638%0.38121%0.205SC..THydrogen-bonded Turntrans83.76.3178.200000115.7A33 Y34 H39A33-G37 PolarHBondContact O-N 3.3Å; Y34-G37 PolarHBondContact O-N 2.89Å; G37-H39 PolarHBondContact O-N 3.17Å
38N87.5Confident93.6Very high10 Ų1036.6 Ų36.65%0.05320%0.201CC..  trans-91.193173.9177.814000111.3A33 Y34 Q40 V101 S102 I103 S105A33-N38 CarbonylContact C-O 3.55Å; A33-N38 HydrophobicContact CB-CB 4.18Å; A33-N38 PolarHBondContact O-N 2.84Å; Y34-N38 VanDerWaalsContact CD1-O 3.23Å; Y34-N38 WeakPolarHBondContact CD1-O 3.26Å; N38-Q40 VanDerWaalsContact C-N 3.32Å; N38-Q40 PolarHBondContact O-N 2.9Å; N38-Q40 PolarHBondContact OD1-N 3.27Å; N38-Q40 VanDerWaalsContact OD1-N 3.11Å; N38-Q40 PolarHBondContact OD1-O 3.44Å; N38-V101 HydrophobicContact CB-CG1 3.82Å; N38-S102 PolarHBondContact ND2-O 3.17Å; N38-I103 PolarHBondContact ND2-O 2.85Å; N38-S105 PolarHBondContact ND2-OG 3.45Å
39H88.3Confident93.7Very high130 Ų13036.8 Ų36.860%0.60220%0.203SC*.SBendtrans-84.84.4179.1-59.1-69.4000115.1G37 P41G37-H39 PolarHBondContact O-N 3.17Å; H39-P41 WeakPolarHBondContact O-CD 3.03Å
40Q89.7Confident93.7Very high128 Ų12839.6 Ų39.660%0.59822%0.216SC*.SBendtrans-127.265.8174.5-67.1-176.8-4.400110.4N38 I103N38-Q40 VanDerWaalsContact C-N 3.32Å; N38-Q40 PolarHBondContact O-N 2.9Å; N38-Q40 PolarHBondContact OD1-N 3.27Å; N38-Q40 VanDerWaalsContact OD1-N 3.11Å; N38-Q40 PolarHBondContact OD1-O 3.44Å; Q40-I103 WeakPolarHBondContact O-CG2 3.4Å
41P91.6Very high93.8Very high1 Ų141.2 Ų41.21%0.00623%0.234CC..  trans-65.6137.5-172.124.8-32.7000110.7R30 A33 Y34 H39 I62 R63 S105R30-P41 HydrophobicContact CG-CB 4.12Å; R30-P41 HydrophobicContact CG-CG 3.55Å; A33-P41 HydrophobicContact CB-CB 4.38Å; Y34-P41 HydrophobicContact CE1-CG 3.81Å; H39-P41 WeakPolarHBondContact O-CD 3.03Å; P41-I62 HydrophobicContact CB-CG2 4.45Å; P41-I62 HydrophobicContact CG-CG1 4.15Å; P41-I62 CarbonylContact O-C 3.1Å; P41-I62 WeakPolarHBondContact O-CA 3.09Å; P41-I62 WeakPolarHBondContact O-CG2 3.42Å; P41-R63 PolarHBondContact O-N 3.01Å; P41-S105 WeakPolarHBondContact CA-OG 3.17Å; P41-S105 VanDerWaalsContact CB-OG 3.23Å; P41-S105 WeakPolarHBondContact CB-OG 3.23Å
42E94.2Very high94Very high0 Ų039.5 Ų39.50%023%0.225CC..EExtended strand (participates in β ladder)trans-118.7140.5176.5-179.6179.3107.300110.2R63 R65 I103 T104 S105E42-R63 CarbonylContact C-O 3.59Å; E42-R63 VanDerWaalsContact CA-O 3.3Å; E42-R63 WeakPolarHBondContact CA-O 3.39Å; E42-R63 HydrophobicContact CB-CB 4.29Å; E42-R63 HydrophobicContact CG-CB 4.33Å; E42-R63 HydrophobicContact CG-CG 4.47Å; E42-R63 IonicContact OE2-NE 3.99Å; E42-R65 HydrophobicContact CG-CG 4.11Å; E42-R65 WeakPolarHBondContact OE1-CD 3.15Å; E42-R65 IonicContact OE1-CZ 2.87Å; E42-R65 IonicContact OE1-NE 3.94Å; E42-R65 IonicContact OE1-NH1 3.26Å; E42-R65 PolarHBondContact OE1-NH1 3.17Å; E42-R65 WeakPolarHBondContact OE2-CD 3.42Å; E42-R65 IonicContact OE2-NH1 3.32Å; E42-I103 HydrophobicContact CB-CG2 3.84Å; E42-I103 PolarHBondContact N-O 3.45Å; E42-I103 VanDerWaalsContact N-O 3.08Å; E42-T104 CarbonylContact O-C 3.57Å; E42-T104 WeakPolarHBondContact O-CA 3.12Å; E42-S105 PolarHBondContact O-N 3.45Å
43M96Very high94.2Very high0 Ų036.6 Ų36.60%021%0.214CC..EExtended strand (participates in β ladder)trans-113.4136.8168.165.5179.8141.400110.9I45 F53 G57 I62 R63 V64 R65 M106M43-I45 HydrophobicContact CG-CG2 4.39Å; M43-I45 HydrophobicContact SD-CG2 4.43Å; M43-F53 WeakPolarHBondContact CE-O 3.35Å; M43-F53 HydrophobicContact SD-CB 4.25Å; M43-F53 HydrophobicContact SD-CD1 4.14Å; M43-G57 VanDerWaalsContact CE-CA 3.43Å; M43-I62 HydrophobicContact CB-CG2 4.06Å; M43-I62 HydrophobicContact CE-CB 4.18Å; M43-I62 HydrophobicContact CE-CG2 4.05Å; M43-I62 HydrophobicContact CG-CG2 3.94Å; M43-I62 HydrophobicContact SD-CG2 4.39Å; M43-R63 PolarHBondContact N-O 2.77Å; M43-V64 HydrophobicContact CE-CB 4.22Å; M43-V64 HydrophobicContact CE-CG1 4.13Å; M43-V64 HydrophobicContact CE-CG2 3.38Å; M43-V64 HydrophobicContact CG-CB 4.4Å; M43-V64 HydrophobicContact CG-CG1 4.09Å; M43-V64 HydrophobicContact CG-CG2 4.45Å; M43-V64 HydrophobicContact SD-CG1 4.46Å; M43-R65 PolarHBondContact O-N 3.23Å; M43-M106 WeakPolarHBondContact CA-O 3.18Å; M43-M106 HydrophobicContact CB-CG 3.48Å; M43-M106 VanDerWaalsContact CB-CG 3.48Å; M43-M106 HydrophobicContact CB-SD 4.02Å; M43-M106 HydrophobicContact SD-SD 4.41Å
44V97.2Very high94.5Very high0 Ų039 Ų390%023%0.226CC..EExtended strand (participates in β ladder)trans-108.9120.5175.2178.60000108.2R65 V67 L81 M84 V85 T104 M106 I107 A108V44-R65 WeakPolarHBondContact CA-O 3.32Å; V44-R65 HydrophobicContact CG2-CB 4.38Å; V44-V67 HydrophobicContact CG1-CG2 3.42Å; V44-V67 VanDerWaalsContact CG1-CG2 3.42Å; V44-L81 HydrophobicContact CG1-CG 4.1Å; V44-M84 HydrophobicContact CG1-CB 4.33Å; V44-V85 HydrophobicContact CB-CG2 4.24Å; V44-V85 HydrophobicContact CG1-CG2 4.21Å; V44-V85 HydrophobicContact CG2-CG2 4.12Å; V44-T104 HydrophobicContact CB-CG2 4.36Å; V44-T104 HydrophobicContact CG2-CG2 3.76Å; V44-M106 PolarHBondContact N-O 3Å; V44-M106 VanDerWaalsContact N-O 3.13Å; V44-I107 VanDerWaalsContact O-CA 3.3Å; V44-I107 WeakPolarHBondContact O-CA 3.45Å; V44-A108 PolarHBondContact O-N 3.44Å; V44-A108 VanDerWaalsContact O-N 3.11Å
45I98.1Very high94.8Very high0 Ų041.1 Ų41.10%024%0.237CC..EExtended strand (participates in β ladder)trans-136.9150.8-174.766.6-178.8000110.4M43 A49 F53 V64 R65 R66 V67 A108M43-I45 HydrophobicContact CG-CG2 4.39Å; M43-I45 HydrophobicContact SD-CG2 4.43Å; I45-A49 HydrophobicContact CB-CB 3.89Å; I45-A49 HydrophobicContact CD1-CB 4.07Å; I45-A49 HydrophobicContact CG1-CB 4.15Å; I45-F53 HydrophobicContact CD1-CB 3.49Å; I45-F53 VanDerWaalsContact CD1-CB 3.49Å; I45-F53 HydrophobicContact CD1-CG 4.09Å; I45-F53 HydrophobicContact CG2-CD1 4.23Å; I45-F53 HydrophobicContact CG2-CG 4.31Å; I45-V64 HydrophobicContact CD1-CG1 3.53Å; I45-V64 HydrophobicContact CG1-CG1 4.14Å; I45-R65 PolarHBondContact N-O 3.41Å; I45-R66 HydrophobicContact CD1-CG 4.16Å; I45-R66 HydrophobicContact CG1-CG 3.92Å; I45-R66 CarbonylContact O-C 3.58Å; I45-R66 VanDerWaalsContact O-CA 3.22Å; I45-R66 WeakPolarHBondContact O-CA 3.47Å; I45-V67 PolarHBondContact O-N 2.61Å; I45-A108 HydrophobicContact CG2-CB 3.78Å
46P98.3Very high95.2Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-56.3150.6168.8-25.230.4000112.3S48 A49 R66 L69 V76 A108 V109 D120P46-S48 PolarHBondContact O-N 2.96Å; P46-S48 VanDerWaalsContact O-N 3.15Å; P46-A49 HydrophobicContact CB-CB 4.5Å; P46-A49 WeakPolarHBondContact O-CB 3.31Å; P46-A49 PolarHBondContact O-N 3.33Å; P46-R66 PolarHBondContact O-NH1 3.4Å; P46-L69 HydrophobicContact CB-CD2 4.18Å; P46-V76 HydrophobicContact CB-CB 3.86Å; P46-V76 HydrophobicContact CB-CG2 4.03Å; P46-V76 HydrophobicContact CG-CB 3.72Å; P46-V76 HydrophobicContact CG-CG1 4.08Å; P46-V76 HydrophobicContact CG-CG2 3.92Å; P46-A108 WeakPolarHBondContact CD-O 3.28Å; P46-V109 HydrophobicContact CG-CG1 4.34Å; P46-D120 WeakPolarHBondContact CG-OD2 3.45Å
47F98Very high95.7Very high82 Ų8234.3 Ų34.336%0.3618%0.181SC..THydrogen-bonded Turntrans-58.5-26.3172.1-175.1-100.9000112.7R66 V67 L69 Q303F47-R66 HydrophobicContact CD2-CB 4.25Å; F47-R66 PolarHBondContact O-NH1 2.82Å; F47-V67 WeakPolarHBondContact CB-O 3.14Å; F47-V67 PolarHBondContact N-O 2.93Å; F47-L69 HydrophobicContact CB-CD2 4.3Å; F47-L69 HydrophobicContact CB-CG 4.18Å; F47-Q303 HydrophobicContact CE1-CB 4.12Å; F47-Q303 HydrophobicContact CZ-CB 4.1Å
48S98.3Very high96.1Very high4 Ų439 Ų393%0.02820%0.197CC..THydrogen-bonded Turntrans-81.6-7.917658.70000114.8P46 P115P46-S48 PolarHBondContact O-N 2.96Å; P46-S48 VanDerWaalsContact O-N 3.15Å; S48-P115 WeakPolarHBondContact O-CD 3.37Å
49A98.6Very high96.6Very high5 Ų542.7 Ų42.74%0.04122%0.22CC..SBendtrans-64144.3-177.300000111.4I45 P46 F53 R66I45-A49 HydrophobicContact CB-CB 3.89Å; I45-A49 HydrophobicContact CD1-CB 4.07Å; I45-A49 HydrophobicContact CG1-CB 4.15Å; P46-A49 HydrophobicContact CB-CB 4.5Å; P46-A49 WeakPolarHBondContact O-CB 3.31Å; P46-A49 PolarHBondContact O-N 3.33Å; A49-F53 HydrophobicContact CB-CD2 3.91Å; A49-F53 HydrophobicContact CB-CE2 4.25Å; A49-R66 PolarHBondContact O-NH1 3.33Å; A49-R66 PolarHBondContact O-NH2 2.85Å
50H98.7Very high97Very high59 Ų5937 Ų3727%0.27319%0.194SC..  trans-53.7144.7-173.4-165.7-93.7000112.9I22 A52 F53I22-H50 HydrophobicContact CD1-CB 4.22Å; H50-A52 WeakPolarHBondContact ND1-CB 3.5Å; H50-A52 PolarHBondContact ND1-N 3.06Å; H50-A52 VanDerWaalsContact ND1-N 3.11Å; H50-A52 PolarHBondContact O-N 3.34Å; H50-F53 HydrophobicContact CB-CD2 4.4Å; H50-F53 VanDerWaalsContact O-CD2 3.3Å; H50-F53 WeakPolarHBondContact O-CD2 3.43Å; H50-F53 PolarHBondContact O-N 2.95Å
51S97.9Very high97.3Very high79 Ų7941.2 Ų41.255%0.55220%0.204SC*.THydrogen-bonded Turntrans-63.4-14-179.558.60000114.2F53 D54 K55S51-F53 PolarHBondContact O-N 3.23Å; S51-D54 WeakPolarHBondContact CA-OD2 3.49Å; S51-D54 PolarHBondContact O-N 2.8Å; S51-K55 PolarHBondContact O-N 2.94Å
52A98.6Very high97.4Very high1 Ų141.5 Ų41.51%0.00821%0.206CC..Hα-helixtrans-60.1-26.1170.500000112.6T19 I22 L23 H50 A56T19-A52 HydrophobicContact CG2-CB 4.05Å; I22-A52 HydrophobicContact CB-CB 4.15Å; I22-A52 HydrophobicContact CD1-CB 3.84Å; I22-A52 HydrophobicContact CG2-CB 3.97Å; L23-A52 HydrophobicContact CD1-CB 4.47Å; H50-A52 WeakPolarHBondContact ND1-CB 3.5Å; H50-A52 PolarHBondContact ND1-N 3.06Å; H50-A52 VanDerWaalsContact ND1-N 3.11Å; H50-A52 PolarHBondContact O-N 3.34Å; A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 3.38Å
53F98.7Very high97.5Very high0 Ų047.9 Ų47.90%023%0.23CC..Hα-helixtrans-68.1-43.1170.9-69.9-75.3000111.4I22 M43 I45 A49 H50 S51 K55 A56 G57 M106 A108 H137 D139I22-F53 HydrophobicContact CD1-CE2 4.07Å; I22-F53 HydrophobicContact CD1-CZ 4.31Å; I22-F53 HydrophobicContact CG1-CE2 4.4Å; I22-F53 HydrophobicContact CG1-CZ 4.15Å; I22-F53 HydrophobicContact CG2-CD1 3.65Å; I22-F53 HydrophobicContact CG2-CD2 4.25Å; I22-F53 HydrophobicContact CG2-CE1 3.6Å; I22-F53 HydrophobicContact CG2-CE2 4.2Å; I22-F53 HydrophobicContact CG2-CG 3.97Å; I22-F53 HydrophobicContact CG2-CZ 3.87Å; M43-F53 WeakPolarHBondContact CE-O 3.35Å; M43-F53 HydrophobicContact SD-CB 4.25Å; M43-F53 HydrophobicContact SD-CD1 4.14Å; I45-F53 HydrophobicContact CD1-CB 3.49Å; I45-F53 VanDerWaalsContact CD1-CB 3.49Å; I45-F53 HydrophobicContact CD1-CG 4.09Å; I45-F53 HydrophobicContact CG2-CD1 4.23Å; I45-F53 HydrophobicContact CG2-CG 4.31Å; A49-F53 HydrophobicContact CB-CD2 3.91Å; A49-F53 HydrophobicContact CB-CE2 4.25Å; H50-F53 HydrophobicContact CB-CD2 4.4Å; H50-F53 VanDerWaalsContact O-CD2 3.3Å; H50-F53 WeakPolarHBondContact O-CD2 3.43Å; H50-F53 PolarHBondContact O-N 2.95Å; S51-F53 PolarHBondContact O-N 3.23Å; F53-K55 VanDerWaalsContact C-N 3.32Å; F53-K55 PolarHBondContact O-N 2.87Å; F53-A56 WeakPolarHBondContact O-CB 3.3Å; F53-A56 PolarHBondContact O-N 2.89Å; F53-G57 PolarHBondContact O-N 3.29Å; F53-M106 HydrophobicContact CE1-CE 4.13Å; F53-A108 HydrophobicContact CD1-CB 4.24Å; F53-A108 HydrophobicContact CE1-CB 3.45Å; F53-A108 VanDerWaalsContact CE1-CB 3.45Å; F53-A108 HydrophobicContact CE2-CB 4.28Å; F53-A108 HydrophobicContact CZ-CB 3.49Å; F53-A108 VanDerWaalsContact CZ-CB 3.49Å; F53-H137 AromaticContact CZ-CD2 3.83Å; F53-D139 HydrophobicContact CE2-CB 4.34Å; F53-D139 HydrophobicContact CZ-CB 4.36Å
54D98.1Very high97.5Very high58 Ų5850 Ų5031%0.3124%0.243SC..Hα-helixtrans-65.1-39.7175.1-44.8-74.4000111.1S51 A56 G57 N58 R66S51-D54 WeakPolarHBondContact CA-OD2 3.49Å; S51-D54 PolarHBondContact O-N 2.8Å; D54-A56 VanDerWaalsContact C-N 3.33Å; D54-A56 PolarHBondContact O-N 3.26Å; D54-G57 WeakPolarHBondContact O-CA 3.3Å; D54-G57 PolarHBondContact O-N 2.81Å; D54-G57 VanDerWaalsContact O-N 3.08Å; D54-N58 PolarHBondContact O-N 3.36Å; D54-R66 VanDerWaalsContact CG-NH2 3.27Å; D54-R66 IonicContact OD1-CZ 3.76Å; D54-R66 IonicContact OD1-NE 3.07Å; D54-R66 PolarHBondContact OD1-NE 3.01Å; D54-R66 IonicContact OD1-NH2 3.77Å; D54-R66 PolarHBondContact OD1-NH2 3.03Å; D54-R66 IonicContact OD2-CZ 3.29Å; D54-R66 IonicContact OD2-NE 2.94Å; D54-R66 IonicContact OD2-NH2 2.71Å; D54-R66 PolarHBondContact OD2-NH2 3.2Å
55K98.4Very high97.4Very high120 Ų12052.6 Ų52.652%0.52225%0.252SS..Hα-helixtrans-58.5-44.4172.8-174.9171.8-66.1-167.70111.6T19 L23 S51 F53 G57 N58 V59T19-K55 HydrophobicContact CG2-CD 4.26Å; L23-K55 HydrophobicContact CD1-CG 4.48Å; S51-K55 PolarHBondContact O-N 2.94Å; F53-K55 VanDerWaalsContact C-N 3.32Å; F53-K55 PolarHBondContact O-N 2.87Å; K55-G57 VanDerWaalsContact C-N 3.32Å; K55-G57 PolarHBondContact O-N 2.93Å; K55-N58 PolarHBondContact O-N 3.46Å; K55-V59 HydrophobicContact CG-CG2 4.38Å; K55-V59 WeakPolarHBondContact O-CB 3.41Å; K55-V59 WeakPolarHBondContact O-CG2 3.38Å; K55-V59 PolarHBondContact O-N 3.36Å
56A98.3Very high97.3Very high0 Ų055.8 Ų55.80%026%0.264CS..Hα-helixtrans-62.7-40173.800000111.5L23 C26 A52 F53 D54 L60L23-A56 HydrophobicContact CD1-CB 4.01Å; L23-A56 HydrophobicContact CG-CB 3.93Å; C26-A56 HydrophobicContact CB-CB 3.76Å; A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 3.38Å; F53-A56 WeakPolarHBondContact O-CB 3.3Å; F53-A56 PolarHBondContact O-N 2.89Å; D54-A56 VanDerWaalsContact C-N 3.33Å; D54-A56 PolarHBondContact O-N 3.26Å; A56-L60 HydrophobicContact CB-CD1 4.21Å; A56-L60 WeakPolarHBondContact O-CA 3.14Å; A56-L60 WeakPolarHBondContact O-CB 3.28Å; A56-L60 WeakPolarHBondContact O-CG 3.29Å; A56-L60 PolarHBondContact O-N 2.64Å
57G97.4Very high97.3Very high6 Ų655.8 Ų55.86%0.06226%0.264CS..Hα-helixtrans-58.1-49.4175.300000112.7M43 F53 D54 K55 R61 I62M43-G57 VanDerWaalsContact CE-CA 3.43Å; F53-G57 PolarHBondContact O-N 3.29Å; D54-G57 WeakPolarHBondContact O-CA 3.3Å; D54-G57 PolarHBondContact O-N 2.81Å; D54-G57 VanDerWaalsContact O-N 3.08Å; K55-G57 VanDerWaalsContact C-N 3.32Å; K55-G57 PolarHBondContact O-N 2.93Å; G57-R61 CarbonylContact O-C 3.59Å; G57-R61 VanDerWaalsContact O-CA 3.26Å; G57-R61 WeakPolarHBondContact O-CA 3.47Å; G57-R61 PolarHBondContact O-N 2.91Å; G57-I62 CarbonylContact C-O 3.11Å; G57-I62 WeakPolarHBondContact CA-O 3.39Å; G57-I62 PolarHBondContact O-N 3.01Å
58N96.7Very high97.2Very high135 Ų13554.7 Ų54.772%0.72227%0.266SS*.Hα-helixtrans-62.5-56.7177.5-179.5-84.2000111.7D54 K55 L60D54-N58 PolarHBondContact O-N 3.36Å; K55-N58 PolarHBondContact O-N 3.46Å; N58-L60 PolarHBondContact O-N 2.9Å
59V97.4Very high97.2Very high89 Ų8956.1 Ų56.154%0.53927%0.273SS..Hα-helixtrans-68-38.1-173.9174.60000112.2K55K55-V59 HydrophobicContact CG-CG2 4.38Å; K55-V59 WeakPolarHBondContact O-CB 3.41Å; K55-V59 WeakPolarHBondContact O-CG2 3.38Å; K55-V59 PolarHBondContact O-N 3.36Å
60L96.6Very high97Very high9 Ų959.5 Ų59.55%0.04729%0.288CS..Hα-helixtrans-97.1-0.1-174-55.3172.2000113.6C26 M27 R30 A56 N58 I62C26-L60 HydrophobicContact CB-CD1 3.9Å; M27-L60 HydrophobicContact CB-CD1 3.83Å; M27-L60 HydrophobicContact CB-CD2 4.28Å; M27-L60 HydrophobicContact CG-CD2 4.28Å; M27-L60 HydrophobicContact SD-CD2 4.49Å; R30-L60 WeakPolarHBondContact CD-O 3.41Å; R30-L60 PolarHBondContact NH1-O 2.96Å; A56-L60 HydrophobicContact CB-CD1 4.21Å; A56-L60 WeakPolarHBondContact O-CA 3.14Å; A56-L60 WeakPolarHBondContact O-CB 3.28Å; A56-L60 WeakPolarHBondContact O-CG 3.29Å; A56-L60 PolarHBondContact O-N 2.64Å; N58-L60 PolarHBondContact O-N 2.9Å; L60-I62 HydrophobicContact CB-CD1 3.81Å; L60-I62 HydrophobicContact CB-CG1 3.99Å; L60-I62 HydrophobicContact CD1-CD1 4.03Å
61R95.7Very high96.5Very high217 Ų21766 Ų6682%0.81932%0.318SS*.THydrogen-bonded Turntrans55.748.7-174.6-57.7-174.3177.3-159.1-1.2112.9G57G57-R61 CarbonylContact O-C 3.59Å; G57-R61 VanDerWaalsContact O-CA 3.26Å; G57-R61 WeakPolarHBondContact O-CA 3.47Å; G57-R61 PolarHBondContact O-N 2.91Å
62I95.1Very high96.1Very high8 Ų865.4 Ų65.44%0.04133%0.325CS..  trans-104.1127.6174.8-56.7166.9000107.7C26 R30 P41 M43 G57 L60 V64C26-I62 HydrophobicContact CB-CD1 3.98Å; R30-I62 HydrophobicContact CB-CD1 3.88Å; R30-I62 HydrophobicContact CB-CG1 4.21Å; R30-I62 HydrophobicContact CG-CD1 4.17Å; R30-I62 HydrophobicContact CG-CG1 3.94Å; P41-I62 HydrophobicContact CB-CG2 4.45Å; P41-I62 HydrophobicContact CG-CG1 4.15Å; P41-I62 CarbonylContact O-C 3.1Å; P41-I62 WeakPolarHBondContact O-CA 3.09Å; P41-I62 WeakPolarHBondContact O-CG2 3.42Å; M43-I62 HydrophobicContact CB-CG2 4.06Å; M43-I62 HydrophobicContact CE-CB 4.18Å; M43-I62 HydrophobicContact CE-CG2 4.05Å; M43-I62 HydrophobicContact CG-CG2 3.94Å; M43-I62 HydrophobicContact SD-CG2 4.39Å; G57-I62 CarbonylContact C-O 3.11Å; G57-I62 WeakPolarHBondContact CA-O 3.39Å; G57-I62 PolarHBondContact O-N 3.01Å; L60-I62 HydrophobicContact CB-CD1 3.81Å; L60-I62 HydrophobicContact CB-CG1 3.99Å; L60-I62 HydrophobicContact CD1-CD1 4.03Å; I62-V64 PolarHBondContact O-N 3.24Å
63R95.4Very high95.9Very high133 Ų13368 Ų6850%0.50234%0.34SS..EExtended strand (participates in β ladder)trans-66.7126174.7-176.1179.5-176.9176.93.1109.6P41 E42 M43 T89P41-R63 PolarHBondContact O-N 3.01Å; E42-R63 CarbonylContact C-O 3.59Å; E42-R63 VanDerWaalsContact CA-O 3.3Å; E42-R63 WeakPolarHBondContact CA-O 3.39Å; E42-R63 HydrophobicContact CB-CB 4.29Å; E42-R63 HydrophobicContact CG-CB 4.33Å; E42-R63 HydrophobicContact CG-CG 4.47Å; E42-R63 IonicContact OE2-NE 3.99Å; M43-R63 PolarHBondContact N-O 2.77Å; R63-T89 VanDerWaalsContact NH1-CG2 3.34Å
64V95.3Very high95.8Very high44 Ų4468.7 Ų68.727%0.26735%0.345SS..EExtended strand (participates in β ladder)trans-98.6130.1179.8-161.70000109.8M43 I45 I62M43-V64 HydrophobicContact CE-CB 4.22Å; M43-V64 HydrophobicContact CE-CG1 4.13Å; M43-V64 HydrophobicContact CE-CG2 3.38Å; M43-V64 HydrophobicContact CG-CB 4.4Å; M43-V64 HydrophobicContact CG-CG1 4.09Å; M43-V64 HydrophobicContact CG-CG2 4.45Å; M43-V64 HydrophobicContact SD-CG1 4.46Å; I45-V64 HydrophobicContact CD1-CG1 3.53Å; I45-V64 HydrophobicContact CG1-CG1 4.14Å; I62-V64 PolarHBondContact O-N 3.24Å
65R95.6Very high95.8Very high55 Ų5569.3 Ų69.321%0.20835%0.345CS..EExtended strand (participates in β ladder)trans-124.5113.5173.2-73.6-176.176.2-159.72.7110.2E42 M43 V44 I45 M84E42-R65 HydrophobicContact CG-CG 4.11Å; E42-R65 WeakPolarHBondContact OE1-CD 3.15Å; E42-R65 IonicContact OE1-CZ 2.87Å; E42-R65 IonicContact OE1-NE 3.94Å; E42-R65 IonicContact OE1-NH1 3.26Å; E42-R65 PolarHBondContact OE1-NH1 3.17Å; E42-R65 WeakPolarHBondContact OE2-CD 3.42Å; E42-R65 IonicContact OE2-NH1 3.32Å; M43-R65 PolarHBondContact O-N 3.23Å; V44-R65 WeakPolarHBondContact CA-O 3.32Å; V44-R65 HydrophobicContact CG2-CB 4.38Å; I45-R65 PolarHBondContact N-O 3.41Å; R65-M84 HydrophobicContact CB-CE 3.69Å; R65-M84 HydrophobicContact CG-CE 4.32Å; R65-M84 VanDerWaalsContact NE-CE 3.33Å; R65-M84 PolarHBondContact NH1-O 2.85Å
66R96.8Very high95.7Very high67 Ų6763.6 Ų63.625%0.25332%0.32SS..EExtended strand (participates in β ladder)trans-89.7120.7178.8-73.1-179.4169.9-86.6-9.1110.6I45 P46 F47 A49 D54I45-R66 HydrophobicContact CD1-CG 4.16Å; I45-R66 HydrophobicContact CG1-CG 3.92Å; I45-R66 CarbonylContact O-C 3.58Å; I45-R66 VanDerWaalsContact O-CA 3.22Å; I45-R66 WeakPolarHBondContact O-CA 3.47Å; P46-R66 PolarHBondContact O-NH1 3.4Å; F47-R66 HydrophobicContact CD2-CB 4.25Å; F47-R66 PolarHBondContact O-NH1 2.82Å; A49-R66 PolarHBondContact O-NH1 3.33Å; A49-R66 PolarHBondContact O-NH2 2.85Å; D54-R66 VanDerWaalsContact CG-NH2 3.27Å; D54-R66 IonicContact OD1-CZ 3.76Å; D54-R66 IonicContact OD1-NE 3.07Å; D54-R66 PolarHBondContact OD1-NE 3.01Å; D54-R66 IonicContact OD1-NH2 3.77Å; D54-R66 PolarHBondContact OD1-NH2 3.03Å; D54-R66 IonicContact OD2-CZ 3.29Å; D54-R66 IonicContact OD2-NE 2.94Å; D54-R66 IonicContact OD2-NH2 2.71Å; D54-R66 PolarHBondContact OD2-NH2 3.2Å
67V97.2Very high95.7Very high0 Ų064.6 Ų64.60%033%0.326CS..EExtended strand (participates in β ladder)trans-84.2132.4176.1-171.60000108.9V44 I45 F47 V76 K80 L81 M84V44-V67 HydrophobicContact CG1-CG2 3.42Å; V44-V67 VanDerWaalsContact CG1-CG2 3.42Å; I45-V67 PolarHBondContact O-N 2.61Å; F47-V67 WeakPolarHBondContact CB-O 3.14Å; F47-V67 PolarHBondContact N-O 2.93Å; V67-V76 HydrophobicContact CB-CG2 3.8Å; V67-V76 HydrophobicContact CG1-CG2 3.78Å; V67-V76 HydrophobicContact CG2-CG2 4.47Å; V67-K80 HydrophobicContact CG1-CB 3.8Å; V67-L81 HydrophobicContact CG1-CB 4.06Å; V67-L81 HydrophobicContact CG2-CB 4.04Å; V67-L81 HydrophobicContact CG2-CD1 4.34Å; V67-L81 HydrophobicContact CG2-CG 4.17Å; V67-M84 HydrophobicContact CB-SD 4.22Å; V67-M84 HydrophobicContact CG1-SD 4.3Å; V67-M84 HydrophobicContact CG2-SD 3.72Å
68P96.7Very high95.6Very high60 Ų6065.7 Ų65.739%0.3933%0.331SS..PPolyproline II helixtrans-55.6155.7173.6-25.335000113.1D77 K80P68-D77 WeakPolarHBondContact O-CB 3.35Å; P68-D77 PolarHBondContact O-N 3.35Å; P68-K80 HydrophobicContact CB-CD 4.22Å; P68-K80 HydrophobicContact CG-CD 4.03Å
69L97.4Very high95.5Very high34 Ų3464.7 Ų64.718%0.17833%0.326CS..BIsolated β-bridgetrans-89.8151.5172.1-50.6-179.9000109.9P46 F47 C74 K75P46-L69 HydrophobicContact CB-CD2 4.18Å; F47-L69 HydrophobicContact CB-CD2 4.3Å; F47-L69 HydrophobicContact CB-CG 4.18Å; L69-C74 HydrophobicContact CD1-CB 4.5Å; L69-K75 CarbonylContact C-O 3.34Å; L69-K75 WeakPolarHBondContact CA-O 3.44Å; L69-K75 WeakPolarHBondContact CB-O 3.39Å
70E95.4Very high95.4Very high76 Ų7665 Ų6536%0.35532%0.32SS..PPolyproline II helixtrans-66.5132167-70.8174.7-177.500110T73 C74 K75 D77E70-T73 WeakPolarHBondContact CB-OG1 3.35Å; E70-T73 PolarHBondContact OE2-OG1 3.24Å; E70-C74 PolarHBondContact O-N 3.39Å; E70-K75 PolarHBondContact N-O 3.13Å; E70-D77 HydrophobicContact CG-CB 3.97Å
71E88.5Confident95.3Very high195 Ų19564.6 Ų64.691%0.91132%0.318SS*.THydrogen-bonded Turntrans-61.5142.3174.5-70.4-177.5-174.300110.6T73E71-T73 PolarHBondContact O-N 3.29Å
72G88.6Confident95.1Very high67 Ų6759.4 Ų59.469%0.69130%0.301SS*.THydrogen-bonded Turntrans79-38.7-179.800000115.1G268G72-G268 VanDerWaalsContact O-CA 3.29Å; G72-G268 WeakPolarHBondContact O-CA 3.34Å
73T94.8Very high94.9Very high54 Ų5463.7 Ų63.733%0.33133%0.328SS..THydrogen-bonded Turntrans-92.4-27.1-179.774.60000113E70 E71 K75E70-T73 WeakPolarHBondContact CB-OG1 3.35Å; E70-T73 PolarHBondContact OE2-OG1 3.24Å; E71-T73 PolarHBondContact O-N 3.29Å; T73-K75 PolarHBondContact O-N 2.77Å; T73-K75 PolarHBondContact OG1-N 2.85Å
74C96.5Very high94.6Very high15 Ų1559 Ų5910%0.10131%0.312CS..  trans57.518.4-172.4-58.70000114L69 E70 H116 I118L69-C74 HydrophobicContact CD1-CB 4.5Å; E70-C74 PolarHBondContact O-N 3.39Å; C74-H116 HydrophobicContact CB-CB 4.26Å; C74-I118 HydrophobicContact CB-CG1 3.97Å
75K97.1Very high94.1Very high71 Ų7157 Ų5731%0.30930%0.3SS..SBendtrans-82158169.1-68.5-177.7173.9-171.30110L69 E70 T73 D77 I118L69-K75 CarbonylContact C-O 3.34Å; L69-K75 WeakPolarHBondContact CA-O 3.44Å; L69-K75 WeakPolarHBondContact CB-O 3.39Å; E70-K75 PolarHBondContact N-O 3.13Å; T73-K75 PolarHBondContact O-N 2.77Å; T73-K75 PolarHBondContact OG1-N 2.85Å; K75-D77 PolarHBondContact O-N 2.98Å; K75-I118 HydrophobicContact CB-CG2 4.41Å; K75-I118 HydrophobicContact CG-CG2 3.51Å
76V97.4Very high92.6Very high0 Ų057 Ų570%030%0.304CS..BIsolated β-bridgetrans-61.7136.1169.263.80000112P46 V67 V78 L81 D120 P121 V125P46-V76 HydrophobicContact CB-CB 3.86Å; P46-V76 HydrophobicContact CB-CG2 4.03Å; P46-V76 HydrophobicContact CG-CB 3.72Å; P46-V76 HydrophobicContact CG-CG1 4.08Å; P46-V76 HydrophobicContact CG-CG2 3.92Å; V67-V76 HydrophobicContact CB-CG2 3.8Å; V67-V76 HydrophobicContact CG1-CG2 3.78Å; V67-V76 HydrophobicContact CG2-CG2 4.47Å; V76-V78 PolarHBondContact O-N 3.45Å; V76-L81 HydrophobicContact CG2-CB 4.49Å; V76-L81 HydrophobicContact CG2-CD1 4.02Å; V76-D120 HydrophobicContact CG1-CB 4.15Å; V76-D120 PolarHBondContact N-OD1 3.22Å; V76-P121 HydrophobicContact CG1-CG 4.17Å; V76-V125 HydrophobicContact CG1-CG2 4.31Å
77D97.5Very high90.4Very high22 Ų2260.9 Ų60.912%0.11832%0.319CS..  trans-71.4104.9172.3-176.9-37.2000109.7P68 E70 K75 D79 K80 L81P68-D77 WeakPolarHBondContact O-CB 3.35Å; P68-D77 PolarHBondContact O-N 3.35Å; E70-D77 HydrophobicContact CG-CB 3.97Å; K75-D77 PolarHBondContact O-N 2.98Å; D77-D79 VanDerWaalsContact C-N 3.31Å; D77-D79 PolarHBondContact O-N 3.33Å; D77-D79 PolarHBondContact OD1-N 3.34Å; D77-K80 HydrophobicContact CB-CB 4.08Å; D77-K80 HydrophobicContact CB-CD 4.11Å; D77-K80 HydrophobicContact CB-CG 4.29Å; D77-K80 PolarHBondContact O-N 2.92Å; D77-K80 PolarHBondContact OD1-N 3.44Å; D77-K80 WeakPolarHBondContact OD2-CD 3.45Å; D77-K80 WeakPolarHBondContact OD2-CE 3.43Å; D77-K80 WeakPolarHBondContact OD2-CG 3.21Å; D77-K80 IonicContact OD2-NZ 2.94Å; D77-K80 PolarHBondContact OD2-NZ 3Å; D77-L81 WeakPolarHBondContact O-CB 3.22Å; D77-L81 PolarHBondContact O-N 3.14Å
78V96.4Very high87.9Confident28 Ų2869.1 Ų69.117%0.1736%0.357CS..Hα-helixtrans-66.6-33.7-173.1178.60000111.7V76 L81 K82 P121 A124 V125 I128V76-V78 PolarHBondContact O-N 3.45Å; V78-L81 PolarHBondContact O-N 2.89Å; V78-K82 VanDerWaalsContact O-CB 3.32Å; V78-K82 WeakPolarHBondContact O-CB 3.4Å; V78-K82 PolarHBondContact O-N 3.24Å; V78-P121 HydrophobicContact CG2-CB 4.3Å; V78-P121 HydrophobicContact CG2-CG 3.41Å; V78-P121 VanDerWaalsContact CG2-CG 3.41Å; V78-A124 HydrophobicContact CG1-CB 4.21Å; V78-A124 HydrophobicContact CG2-CB 4.36Å; V78-V125 HydrophobicContact CG2-CG2 4.42Å; V78-I128 HydrophobicContact CG1-CD1 3.67Å
79D94.8Very high85.3Confident115 Ų11567.5 Ų67.562%0.61535%0.346SS*.Hα-helixtrans-72.6-40.9179.8-76.8-34.6000111.7D77 K82 T83D77-D79 VanDerWaalsContact C-N 3.31Å; D77-D79 PolarHBondContact O-N 3.33Å; D77-D79 PolarHBondContact OD1-N 3.34Å; D79-K82 PolarHBondContact O-N 2.87Å; D79-T83 PolarHBondContact O-N 2.83Å; D79-T83 PolarHBondContact O-OG1 3.35Å
80K94.3Very high82.1Confident96 Ų9669.3 Ų69.342%0.41736%0.361SS..Hα-helixtrans-64-42.7170.5-72.1179.9-167.9137.10111.2V67 P68 D77 K82 T83 M84V67-K80 HydrophobicContact CG1-CB 3.8Å; P68-K80 HydrophobicContact CB-CD 4.22Å; P68-K80 HydrophobicContact CG-CD 4.03Å; D77-K80 HydrophobicContact CB-CB 4.08Å; D77-K80 HydrophobicContact CB-CD 4.11Å; D77-K80 HydrophobicContact CB-CG 4.29Å; D77-K80 PolarHBondContact O-N 2.92Å; D77-K80 PolarHBondContact OD1-N 3.44Å; D77-K80 WeakPolarHBondContact OD2-CD 3.45Å; D77-K80 WeakPolarHBondContact OD2-CE 3.43Å; D77-K80 WeakPolarHBondContact OD2-CG 3.21Å; D77-K80 IonicContact OD2-NZ 2.94Å; D77-K80 PolarHBondContact OD2-NZ 3Å; K80-K82 VanDerWaalsContact C-N 3.34Å; K80-K82 PolarHBondContact O-N 3.22Å; K80-T83 WeakPolarHBondContact O-CB 3.34Å; K80-T83 PolarHBondContact O-N 2.86Å; K80-M84 VanDerWaalsContact O-CG 3.31Å; K80-M84 WeakPolarHBondContact O-CG 3.32Å; K80-M84 PolarHBondContact O-N 2.98Å
81L94.5Very high78.9Confident0 Ų074.4 Ų74.40%039%0.387CS..Hα-helixtrans-56.8-49.7175.4-175150.3000110.7V44 V67 V76 D77 V78 T83 M84 V85 I107 V125 I128V44-L81 HydrophobicContact CG1-CG 4.1Å; V67-L81 HydrophobicContact CG1-CB 4.06Å; V67-L81 HydrophobicContact CG2-CB 4.04Å; V67-L81 HydrophobicContact CG2-CD1 4.34Å; V67-L81 HydrophobicContact CG2-CG 4.17Å; V76-L81 HydrophobicContact CG2-CB 4.49Å; V76-L81 HydrophobicContact CG2-CD1 4.02Å; D77-L81 WeakPolarHBondContact O-CB 3.22Å; D77-L81 PolarHBondContact O-N 3.14Å; V78-L81 PolarHBondContact O-N 2.89Å; L81-T83 VanDerWaalsContact C-N 3.27Å; L81-T83 PolarHBondContact O-N 3.22Å; L81-M84 PolarHBondContact O-N 3.4Å; L81-M84 VanDerWaalsContact O-N 3.11Å; L81-V85 HydrophobicContact CD2-CG2 4.02Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 2.98Å; L81-I107 HydrophobicContact CD1-CG2 4.04Å; L81-I107 HydrophobicContact CD2-CD1 4.38Å; L81-I107 HydrophobicContact CD2-CG2 4.39Å; L81-V125 HydrophobicContact CD1-CG1 4.02Å; L81-V125 HydrophobicContact CD1-CG2 3.99Å; L81-V125 HydrophobicContact CD2-CG1 4.25Å; L81-I128 HydrophobicContact CD2-CD1 3.96Å; L81-I128 HydrophobicContact CD2-CG2 4.35Å
82K91.9Very high76.2Confident108 Ų10870.4 Ų70.447%0.4738%0.376SS..Hα-helixtrans-57.9-39.4177.9-175.4-179175.7-173.10112.2V78 D79 K80 V85 N86 I128V78-K82 VanDerWaalsContact O-CB 3.32Å; V78-K82 WeakPolarHBondContact O-CB 3.4Å; V78-K82 PolarHBondContact O-N 3.24Å; D79-K82 PolarHBondContact O-N 2.87Å; K80-K82 VanDerWaalsContact C-N 3.34Å; K80-K82 PolarHBondContact O-N 3.22Å; K82-V85 PolarHBondContact O-N 2.87Å; K82-N86 VanDerWaalsContact O-CG 3.3Å; K82-N86 PolarHBondContact O-ND2 3.49Å; K82-N86 PolarHBondContact O-OD1 3.04Å; K82-I128 HydrophobicContact CB-CD1 3.99Å; K82-I128 HydrophobicContact CG-CD1 4.45Å
83T90.1Very high73.4Confident98 Ų9872.3 Ų72.360%0.60138%0.379SS*.Hα-helixtrans-65.6-42.5176.3-58.20000111.4D79 K80 L81 V85 N86D79-T83 PolarHBondContact O-N 2.83Å; D79-T83 PolarHBondContact O-OG1 3.35Å; K80-T83 WeakPolarHBondContact O-CB 3.34Å; K80-T83 PolarHBondContact O-N 2.86Å; L81-T83 VanDerWaalsContact C-N 3.27Å; L81-T83 PolarHBondContact O-N 3.22Å; T83-V85 VanDerWaalsContact C-N 3.32Å; T83-V85 PolarHBondContact O-N 2.94Å; T83-N86 WeakPolarHBondContact O-CB 3.44Å; T83-N86 PolarHBondContact O-N 2.91Å
84M89.9Confident70.6Confident33 Ų3375.7 Ų75.716%0.16339%0.394CS..Hα-helixtrans-67.9-29.8179.6-67.4-179.679.500113.1V44 R65 V67 K80 L81 N86V44-M84 HydrophobicContact CG1-CB 4.33Å; R65-M84 HydrophobicContact CB-CE 3.69Å; R65-M84 HydrophobicContact CG-CE 4.32Å; R65-M84 VanDerWaalsContact NE-CE 3.33Å; R65-M84 PolarHBondContact NH1-O 2.85Å; V67-M84 HydrophobicContact CB-SD 4.22Å; V67-M84 HydrophobicContact CG1-SD 4.3Å; V67-M84 HydrophobicContact CG2-SD 3.72Å; K80-M84 VanDerWaalsContact O-CG 3.31Å; K80-M84 WeakPolarHBondContact O-CG 3.32Å; K80-M84 PolarHBondContact O-N 2.98Å; L81-M84 PolarHBondContact O-N 3.4Å; L81-M84 VanDerWaalsContact O-N 3.11Å; M84-N86 VanDerWaalsContact C-N 3.27Å; M84-N86 PolarHBondContact O-N 3.37Å
85V84.2Confident68Low2 Ų280.4 Ų80.41%0.01243%0.434CS..THydrogen-bonded Turntrans-78.3-4.6178.9174.80000113.1V44 L81 K82 T83 T104 I107 I128 K132 I134V44-V85 HydrophobicContact CB-CG2 4.24Å; V44-V85 HydrophobicContact CG1-CG2 4.21Å; V44-V85 HydrophobicContact CG2-CG2 4.12Å; L81-V85 HydrophobicContact CD2-CG2 4.02Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 2.98Å; K82-V85 PolarHBondContact O-N 2.87Å; T83-V85 VanDerWaalsContact C-N 3.32Å; T83-V85 PolarHBondContact O-N 2.94Å; V85-T104 HydrophobicContact CG2-CG2 4.4Å; V85-I107 HydrophobicContact CG1-CD1 4.33Å; V85-I107 HydrophobicContact CG2-CD1 3.88Å; V85-I107 HydrophobicContact CG2-CG1 4.09Å; V85-I128 HydrophobicContact CG1-CG2 4.37Å; V85-K132 HydrophobicContact CG1-CG 4.25Å; V85-I134 HydrophobicContact CG1-CD1 3.4Å
86N64.1Low65.6Low57 Ų5786.9 Ų86.931%0.30546%0.463SS..SBendtrans-77.5155-178-70.3-29.9000113.3K82 T83 M84 Q88 K132K82-N86 VanDerWaalsContact O-CG 3.3Å; K82-N86 PolarHBondContact O-ND2 3.49Å; K82-N86 PolarHBondContact O-OD1 3.04Å; T83-N86 WeakPolarHBondContact O-CB 3.44Å; T83-N86 PolarHBondContact O-N 2.91Å; M84-N86 VanDerWaalsContact C-N 3.27Å; M84-N86 PolarHBondContact O-N 3.37Å; N86-Q88 PolarHBondContact O-N 3.23Å; N86-K132 PolarHBondContact OD1-NZ 2.92Å
87R50.8Low63.4Low148 Ų14891.6 Ų91.656%0.55848%0.481SS*.SBendtrans-53.3-2.8-172.1-89.6-177.7169.2162.2-1.6116.5F100R87-F100 PolarHBondContact NH2-O 3.4Å
88Q45Very low61.1Low172 Ų17295.7 Ų95.780%0.80450%0.501SS*.  trans-106.454.9-174.8-77.8156.8-36.200112.8N86 C90N86-Q88 PolarHBondContact O-N 3.23Å; Q88-C90 PolarHBondContact O-N 3.37Å
89T42.9Very low58.8Low27 Ų2799.3 Ų99.317%0.16653%0.526CS..  trans-87.153.8146.6-25.70000108.6R63 I103R63-T89 VanDerWaalsContact NH1-CG2 3.34Å; T89-I103 VanDerWaalsContact CB-CD1 3.48Å; T89-I103 WeakPolarHBondContact O-CD1 3.45Å
90C29.9Very low56.8Low72 Ų72100.8 Ų100.849%0.48653%0.527SS..  trans-110.873.1178.6-69.30000108.5Q88Q88-C90 PolarHBondContact O-N 3.37Å
91M27.2Very low54.9Low182 Ų18298.2 Ų98.290%0.89752%0.519SS*.  trans-149.835.4163.3-82.5-55.3-72.300110.5
92V33Very low53.4Low112 Ų112100 Ų10068%0.67953%0.532SS*.SBendtrans-132.3114.8163.2-172.40000107.4N94V92-N94 PolarHBondContact O-N 3.25Å
93S29.8Very low52.5Low107 Ų10795.5 Ų95.575%0.74851%0.512SS*.  trans-45.2108.1177.349.60000112.8
94N36.2Very low52Low124 Ų12491 Ų9166%0.66349%0.485SS*.  trans-157117.7149.2-89.7-37.3000108.1V92 F96V92-N94 PolarHBondContact O-N 3.25Å; N94-F96 PolarHBondContact O-N 3.42Å
95A41.6Very low51.9Low114 Ų11489.8 Ų89.894%0.94248%0.48SS*.SBendtrans-69.716-168.900000115.4
96F46.9Very low52.5Low207 Ų20789.8 Ų89.891%0.90848%0.479SS*.  trans-131.575.1-174.9-146.2-94.6000110.1N94N94-F96 PolarHBondContact O-N 3.42Å
97R49.9Very low54Low99 Ų9987 Ų8737%0.37447%0.465SS..  trans-132.4119.5-177.7-145.8177.6133.364.329110.9P99 V101 I103R97-P99 WeakPolarHBondContact O-CD 3.35Å; R97-V101 PolarHBondContact NH2-O 2.86Å; R97-V101 VanDerWaalsContact NH2-O 3.13Å; R97-I103 VanDerWaalsContact NH1-CD1 3.3Å; R97-I103 VanDerWaalsContact NH2-CD1 3.25Å
98I50.7Low56.3Low108 Ų10880 Ų8055%0.55444%0.438SS*.  trans-66.8118.9178.5-56.5175.5000108.1F100 V101I98-F100 PolarHBondContact O-N 2.81Å; I98-V101 HydrophobicContact CB-CG2 4.17Å; I98-V101 HydrophobicContact CG2-CG2 4.16Å; I98-V101 PolarHBondContact O-N 3.04Å
99P47.9Very low58.8Low105 Ų10571.9 Ų71.968%0.68240%0.4SS*.THydrogen-bonded Turntrans-62-5.3-167.2-23.331.4000116.7R97R97-P99 WeakPolarHBondContact O-CD 3.35Å
100F52.6Low61.5Low146 Ų14670.6 Ų70.664%0.6439%0.392SS*.THydrogen-bonded Turntrans-118.1-5.9-169.8-66.8-81.4000115.4R87 I98R87-F100 PolarHBondContact NH2-O 3.4Å; I98-F100 PolarHBondContact O-N 2.81Å
101V54.4Low64.8Low41 Ų4167.1 Ų67.125%0.24837%0.369CS..  trans-89.5119.5-176.7-175.50000111N38 R97 I98 I103N38-V101 HydrophobicContact CB-CG1 3.82Å; R97-V101 PolarHBondContact NH2-O 2.86Å; R97-V101 VanDerWaalsContact NH2-O 3.13Å; I98-V101 HydrophobicContact CB-CG2 4.17Å; I98-V101 HydrophobicContact CG2-CG2 4.16Å; I98-V101 PolarHBondContact O-N 3.04Å; V101-I103 PolarHBondContact O-N 2.99Å
102S62.3Low68.2Low38 Ų3858.6 Ų58.627%0.26633%0.328SS..  trans-62.1132.7171.7-174.60000110.5N38 T104N38-S102 PolarHBondContact ND2-O 3.17Å; S102-T104 PolarHBondContact OG-O 3.45Å
103I73.1Confident71.3Confident13 Ų1353.3 Ų53.37%0.06730%0.296CS..SBendtrans-76.4-36.5177.1-51.8175.9000110.3N38 Q40 E42 T89 R97 V101 S105N38-I103 PolarHBondContact ND2-O 2.85Å; Q40-I103 WeakPolarHBondContact O-CG2 3.4Å; E42-I103 HydrophobicContact CB-CG2 3.84Å; E42-I103 PolarHBondContact N-O 3.45Å; E42-I103 VanDerWaalsContact N-O 3.08Å; T89-I103 VanDerWaalsContact CB-CD1 3.48Å; T89-I103 WeakPolarHBondContact O-CD1 3.45Å; R97-I103 VanDerWaalsContact NH1-CD1 3.3Å; R97-I103 VanDerWaalsContact NH2-CD1 3.25Å; V101-I103 PolarHBondContact O-N 2.99Å; I103-S105 PolarHBondContact O-N 3.1Å; I103-S105 VanDerWaalsContact O-N 3.11Å; I103-S105 PolarHBondContact O-OG 3.19Å
104T79.3Confident74.5Confident5 Ų552.8 Ų52.83%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-68.1111.8177.7-48.60000109E42 V44 V85 S102 M106 I107 I134E42-T104 CarbonylContact O-C 3.57Å; E42-T104 WeakPolarHBondContact O-CA 3.12Å; V44-T104 HydrophobicContact CB-CG2 4.36Å; V44-T104 HydrophobicContact CG2-CG2 3.76Å; V85-T104 HydrophobicContact CG2-CG2 4.4Å; S102-T104 PolarHBondContact OG-O 3.45Å; T104-M106 WeakPolarHBondContact CG2-O 3.46Å; T104-I107 HydrophobicContact CG2-CG1 4.42Å; T104-I134 HydrophobicContact CG2-CD1 4.15Å; T104-I134 HydrophobicContact CG2-CG2 4.18Å
105S88.1Confident77.5Confident6 Ų648.3 Ų48.34%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-92.4-22.7-177.3-61.40000112.3A33 N38 P41 E42 I103 P135A33-S105 WeakPolarHBondContact CB-OG 3.25Å; N38-S105 PolarHBondContact ND2-OG 3.45Å; P41-S105 WeakPolarHBondContact CA-OG 3.17Å; P41-S105 VanDerWaalsContact CB-OG 3.23Å; P41-S105 WeakPolarHBondContact CB-OG 3.23Å; E42-S105 PolarHBondContact O-N 3.45Å; I103-S105 PolarHBondContact O-N 3.1Å; I103-S105 VanDerWaalsContact O-N 3.11Å; I103-S105 PolarHBondContact O-OG 3.19Å; S105-P135 WeakPolarHBondContact O-CD 3.34Å
106M96.1Very high80.1Confident2 Ų243.3 Ų43.31%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-158.9157.5175.663.7177.3-69.500112.3C26 Y29 M43 V44 F53 T104 A108 P135 H137C26-M106 HydrophobicContact CB-SD 4.14Å; C26-M106 VanDerWaalsContact SG-SD 3.65Å; Y29-M106 HydrophobicContact CD2-CB 3.68Å; Y29-M106 HydrophobicContact CD2-CE 3.88Å; Y29-M106 HydrophobicContact CD2-CG 4.33Å; Y29-M106 HydrophobicContact CD2-SD 3.77Å; Y29-M106 HydrophobicContact CE2-CB 4.47Å; Y29-M106 HydrophobicContact CE2-CE 4.26Å; Y29-M106 HydrophobicContact CG-CB 4.01Å; M43-M106 WeakPolarHBondContact CA-O 3.18Å; M43-M106 HydrophobicContact CB-CG 3.48Å; M43-M106 VanDerWaalsContact CB-CG 3.48Å; M43-M106 HydrophobicContact CB-SD 4.02Å; M43-M106 HydrophobicContact SD-SD 4.41Å; V44-M106 PolarHBondContact N-O 3Å; V44-M106 VanDerWaalsContact N-O 3.13Å; F53-M106 HydrophobicContact CE1-CE 4.13Å; T104-M106 WeakPolarHBondContact CG2-O 3.46Å; M106-A108 HydrophobicContact CE-CB 4.15Å; M106-P135 WeakPolarHBondContact CA-O 3.47Å; M106-H137 HydrophobicContact CE-CB 4.2Å
107I97.3Very high82.6Confident0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-117.7142.3164.6-55.2163.3000107.4V44 L81 V85 T104 V125 I128 I134 P135 V136 H137V44-I107 VanDerWaalsContact O-CA 3.3Å; V44-I107 WeakPolarHBondContact O-CA 3.45Å; L81-I107 HydrophobicContact CD1-CG2 4.04Å; L81-I107 HydrophobicContact CD2-CD1 4.38Å; L81-I107 HydrophobicContact CD2-CG2 4.39Å; V85-I107 HydrophobicContact CG1-CD1 4.33Å; V85-I107 HydrophobicContact CG2-CD1 3.88Å; V85-I107 HydrophobicContact CG2-CG1 4.09Å; T104-I107 HydrophobicContact CG2-CG1 4.42Å; I107-V125 HydrophobicContact CB-CG1 4.49Å; I107-V125 HydrophobicContact CG2-CG1 3.48Å; I107-V125 VanDerWaalsContact CG2-CG1 3.48Å; I107-I128 HydrophobicContact CD1-CG2 4.4Å; I107-I134 HydrophobicContact CD1-CG2 4.19Å; I107-I134 HydrophobicContact CG1-CG2 3.95Å; I107-P135 PolarHBondContact N-O 2.86Å; I107-V136 HydrophobicContact CB-CG2 4.32Å; I107-V136 HydrophobicContact CD1-CG2 4.45Å; I107-V136 CarbonylContact O-C 3.6Å; I107-V136 WeakPolarHBondContact O-CA 3.27Å; I107-H137 PolarHBondContact O-N 2.86Å
108A98.1Very high84.9Confident0 Ų028.9 Ų28.90%015%0.153CC..EExtended strand (participates in β ladder)trans-125.9148.7169.200000111.3V44 I45 P46 F53 M106 H137V44-A108 PolarHBondContact O-N 3.44Å; V44-A108 VanDerWaalsContact O-N 3.11Å; I45-A108 HydrophobicContact CG2-CB 3.78Å; P46-A108 WeakPolarHBondContact CD-O 3.28Å; F53-A108 HydrophobicContact CD1-CB 4.24Å; F53-A108 HydrophobicContact CE1-CB 3.45Å; F53-A108 VanDerWaalsContact CE1-CB 3.45Å; F53-A108 HydrophobicContact CE2-CB 4.28Å; F53-A108 HydrophobicContact CZ-CB 3.49Å; F53-A108 VanDerWaalsContact CZ-CB 3.49Å; M106-A108 HydrophobicContact CE-CB 4.15Å; A108-H137 VanDerWaalsContact CA-O 3.28Å; A108-H137 WeakPolarHBondContact CA-O 3.49Å; A108-H137 HydrophobicContact CB-CB 4.13Å
109V98.5Very high87.1Confident1 Ų125.4 Ų25.41%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-139.1160.5174.9-73.20000109.6P46 D120 V122 V125 V136 H137 V138 D139P46-V109 HydrophobicContact CG-CG1 4.34Å; V109-D120 HydrophobicContact CB-CB 3.81Å; V109-D120 HydrophobicContact CG1-CB 4.13Å; V109-V122 HydrophobicContact CG2-CG2 4.12Å; V109-V125 HydrophobicContact CG1-CB 3.9Å; V109-V125 HydrophobicContact CG1-CG1 3.66Å; V109-V125 HydrophobicContact CG1-CG2 3.88Å; V109-V136 HydrophobicContact CG2-CG1 4.4Å; V109-H137 PolarHBondContact N-O 3.43Å; V109-V138 HydrophobicContact CG2-CG1 4.45Å; V109-V138 HydrophobicContact CG2-CG2 4.1Å; V109-V138 WeakPolarHBondContact O-CA 3.45Å; V109-D139 PolarHBondContact O-N 3.12Å
110S98.7Very high89.5Confident0 Ų020.5 Ų20.50%010%0.103CC..EExtended strand (participates in β ladder)trans-111.1141.8-174.3-43.80000112.6S113 D120S110-S113 VanDerWaalsContact CB-CA 3.46Å; S110-S113 VanDerWaalsContact CB-N 3.29Å; S110-D120 PolarHBondContact N-OD2 2.92Å; S110-D120 PolarHBondContact O-N 3.38Å
111A98.4Very high91.7Very high0 Ų014.2 Ų14.20%08%0.077CC..SBendtrans-136.184.8173.900000110.4I119 V138 D139 G143 L147 F161A111-I119 HydrophobicContact CB-CG2 4.09Å; A111-V138 HydrophobicContact CB-CG1 3.89Å; A111-D139 PolarHBondContact N-O 3.18Å; A111-G143 VanDerWaalsContact O-CA 3.31Å; A111-G143 WeakPolarHBondContact O-CA 3.18Å; A111-G143 PolarHBondContact O-N 2.93Å; A111-L147 HydrophobicContact CB-CD1 3.72Å; A111-L147 VanDerWaalsContact O-CD1 3.26Å; A111-L147 WeakPolarHBondContact O-CD1 3.44Å; A111-F161 HydrophobicContact CB-CB 4.4Å
112P98.5Very high93.8Very high3 Ų312.4 Ų12.42%0.0197%0.065CC..SBendcis-91.6173.1-12.939.1-29.4000111.3G117 I118 I119 L142 L272P112-G117 VanDerWaalsContact CB-C 3.47Å; P112-I118 CarbonylContact C-O 3.52Å; P112-I118 VanDerWaalsContact CA-O 3.26Å; P112-I118 WeakPolarHBondContact CA-O 3.44Å; P112-I118 WeakPolarHBondContact CB-O 3.5Å; P112-I119 HydrophobicContact CB-CG1 4.07Å; P112-L142 HydrophobicContact CG-CD2 3.91Å; P112-L142 HydrophobicContact CG-CG 4.28Å; P112-L272 HydrophobicContact CB-CD1 4.03Å; P112-L272 HydrophobicContact CG-CB 4.29Å; P112-L272 HydrophobicContact CG-CD1 3.57Å
113S98.2Very high95.5Very high1 Ų114.7 Ų14.71%0.0077%0.072CC..  trans-66.3143.4166.360.80000111.5S110 G117 I118S110-S113 VanDerWaalsContact CB-CA 3.46Å; S110-S113 VanDerWaalsContact CB-N 3.29Å; S113-G117 WeakPolarHBondContact O-CA 3.4Å; S113-G117 PolarHBondContact O-N 2.82Å; S113-I118 PolarHBondContact N-O 3.04Å; S113-I118 PolarHBondContact OG-O 2.93Å
114Y98.5Very high96.7Very high95 Ų9516 Ų1637%0.3739%0.085SC..THydrogen-bonded Turntrans-61.4-46.2177.5172.8-94.2000113.4N299 H308Y114-N299 VanDerWaalsContact OH-CG 3.27Å; Y114-N299 PolarHBondContact OH-ND2 2.84Å; Y114-N299 PolarHBondContact OH-OD1 3.5Å; Y114-H308 AromaticContact CD1-CE1 3.87Å; Y114-H308 AromaticContact CE1-CE1 3.49Å; Y114-H308 VanDerWaalsContact CE1-CE1 3.49Å; Y114-H308 WeakPolarHBondContact CE1-CE1 3.29Å; Y114-H308 AromaticContact CE2-CE1 3.67Å; Y114-H308 AromaticContact CE2-NE2 3.83Å; Y114-H308 AromaticContact CZ-CE1 3.39Å; Y114-H308 AromaticContact CZ-NE2 3.54Å; Y114-H308 PolarHBondContact O-CE1 2.9Å; Y114-H308 PolarHBondContact O-ND1 3.49Å; Y114-H308 VanDerWaalsContact O-ND1 3.13Å
115P98Very high97.5Very high31 Ų3115.8 Ų15.820%0.2018%0.084CC..THydrogen-bonded Turntrans-61.8-53.3-173.1-24.635.6000112.5S48 A276 L301 H308S48-P115 WeakPolarHBondContact O-CD 3.37Å; P115-A276 WeakPolarHBondContact O-CB 3.47Å; P115-L301 HydrophobicContact CB-CD2 4.24Å; P115-L301 VanDerWaalsContact O-CD1 3.3Å; P115-L301 WeakPolarHBondContact O-CD1 3.41Å; P115-H308 PolarHBondContact O-ND1 3.27Å
116H97.9Very high98Very high8 Ų815.5 Ų15.54%0.0378%0.082CC..THydrogen-bonded Turntrans-108.7-7.8-167.8-52.1124.4000114.6C74 I118 F267 A276C74-H116 HydrophobicContact CB-CB 4.26Å; H116-I118 HydrophobicContact CB-CG1 3.72Å; H116-I118 PolarHBondContact O-N 3.49Å; H116-F267 HydrophobicContact CB-CB 4.46Å; H116-F267 AromaticContact CD2-CD2 3.95Å; H116-F267 AromaticContact CD2-CG 3.96Å; H116-A276 HydrophobicContact CB-CB 4.45Å
117G98Very high98.1Very high0 Ų018 Ų180%010%0.102CC..  trans69.722.3-176.400000113.9P112 S113 P270P112-G117 VanDerWaalsContact CB-C 3.47Å; S113-G117 WeakPolarHBondContact O-CA 3.4Å; S113-G117 PolarHBondContact O-N 2.82Å; G117-P270 WeakPolarHBondContact O-CA 3.31Å
118I98Very high98Very high4 Ų419 Ų192%0.02111%0.108CC..PPolyproline II helixtrans-95.6132.8-177.5-56.5-59.5000110.6C74 K75 P112 S113 H116 P270C74-I118 HydrophobicContact CB-CG1 3.97Å; K75-I118 HydrophobicContact CB-CG2 4.41Å; K75-I118 HydrophobicContact CG-CG2 3.51Å; P112-I118 CarbonylContact C-O 3.52Å; P112-I118 VanDerWaalsContact CA-O 3.26Å; P112-I118 WeakPolarHBondContact CA-O 3.44Å; P112-I118 WeakPolarHBondContact CB-O 3.5Å; S113-I118 PolarHBondContact N-O 3.04Å; S113-I118 PolarHBondContact OG-O 2.93Å; H116-I118 HydrophobicContact CB-CG1 3.72Å; H116-I118 PolarHBondContact O-N 3.49Å; I118-P270 HydrophobicContact CD1-CB 4.42Å
119I98.2Very high97.8Very high34 Ų3419 Ų1917%0.17411%0.108CC..PPolyproline II helixtrans-83.8121.3170.4-57.5168.8000107.2A111 P112 L147 L157 R271 L272A111-I119 HydrophobicContact CB-CG2 4.09Å; P112-I119 HydrophobicContact CB-CG1 4.07Å; I119-L147 HydrophobicContact CD1-CD2 3.74Å; I119-L157 HydrophobicContact CD1-CD2 3.9Å; I119-R271 HydrophobicContact CD1-CB 4.28Å; I119-L272 HydrophobicContact CD1-CD1 4Å; I119-L272 HydrophobicContact CD1-CG 4.19Å; I119-L272 HydrophobicContact CG1-CD1 4.12Å
120D98.3Very high97.6Very high2 Ų222.4 Ų22.41%0.01112%0.123CC..PPolyproline II helixtrans-66.8155.2173.1-75.5-46.5000110.8P46 V76 V109 S110 V122P46-D120 WeakPolarHBondContact CG-OD2 3.45Å; V76-D120 HydrophobicContact CG1-CB 4.15Å; V76-D120 PolarHBondContact N-OD1 3.22Å; V109-D120 HydrophobicContact CB-CB 3.81Å; V109-D120 HydrophobicContact CG1-CB 4.13Å; S110-D120 PolarHBondContact N-OD2 2.92Å; S110-D120 PolarHBondContact O-N 3.38Å; D120-V122 VanDerWaalsContact C-N 3.29Å; D120-V122 WeakPolarHBondContact O-CG2 3.47Å; D120-V122 PolarHBondContact O-N 2.64Å
121P97.7Very high97.3Very high15 Ų1531.2 Ų31.210%0.09716%0.162CC..  trans-69.481.3177.629.9-36.6000111.5V76 V78 E123 A124 V125V76-P121 HydrophobicContact CG1-CG 4.17Å; V78-P121 HydrophobicContact CG2-CB 4.3Å; V78-P121 HydrophobicContact CG2-CG 3.41Å; V78-P121 VanDerWaalsContact CG2-CG 3.41Å; P121-E123 PolarHBondContact O-N 3.45Å; P121-A124 HydrophobicContact CB-CB 4.21Å; P121-A124 PolarHBondContact O-N 3.17Å; P121-V125 WeakPolarHBondContact O-CG2 3.45Å; P121-V125 PolarHBondContact O-N 3.14Å; P121-V125 VanDerWaalsContact O-N 3.12Å
122V98.3Very high96.9Very high2 Ų235.5 Ų35.51%0.01218%0.18CC..Hα-helixtrans-60.7-43.4-173177.40000111.4V109 D120 V125 A126 V138 F161 V165 V168V109-V122 HydrophobicContact CG2-CG2 4.12Å; D120-V122 VanDerWaalsContact C-N 3.29Å; D120-V122 WeakPolarHBondContact O-CG2 3.47Å; D120-V122 PolarHBondContact O-N 2.64Å; V122-V125 PolarHBondContact O-N 3.1Å; V122-A126 WeakPolarHBondContact O-CB 3.34Å; V122-A126 PolarHBondContact O-N 3.43Å; V122-V138 HydrophobicContact CG1-CG2 3.72Å; V122-V138 HydrophobicContact CG2-CG1 4.07Å; V122-F161 HydrophobicContact CG2-CB 4.17Å; V122-V165 HydrophobicContact CG1-CG2 4.49Å; V122-V168 HydrophobicContact CG1-CG2 3.78Å
123E98.4Very high96.5Very high87 Ų8737.6 Ų37.641%0.40720%0.203SC..Hα-helixtrans-62.6-46.7-178-66-172.7175.500111.8P121 A126 A127 E159 A160 V165P121-E123 PolarHBondContact O-N 3.45Å; E123-A126 PolarHBondContact O-N 3.22Å; E123-A127 WeakPolarHBondContact O-CB 3.44Å; E123-A127 PolarHBondContact O-N 3.2Å; E123-E159 HydrophobicContact CG-CB 4.27Å; E123-A160 WeakPolarHBondContact OE1-CB 3.32Å; E123-A160 PolarHBondContact OE1-N 3.02Å; E123-V165 HydrophobicContact CG-CG1 4.35Å; E123-V165 HydrophobicContact CG-CG2 3.9Å
124A97.8Very high96.3Very high41 Ų4137.9 Ų37.934%0.33920%0.204SC..Hα-helixtrans-62.9-45.1179.200000112V78 P121 A127 I128V78-A124 HydrophobicContact CG1-CB 4.21Å; V78-A124 HydrophobicContact CG2-CB 4.36Å; P121-A124 HydrophobicContact CB-CB 4.21Å; P121-A124 PolarHBondContact O-N 3.17Å; A124-A127 PolarHBondContact O-N 3.33Å; A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 2.98Å
125V97.7Very high96.2Very high0 Ų033.4 Ų33.40%019%0.186CC..Hα-helixtrans-71-39.3179.7177.20000111.7V76 V78 L81 I107 V109 P121 V122 A127 I128 G129 V136V76-V125 HydrophobicContact CG1-CG2 4.31Å; V78-V125 HydrophobicContact CG2-CG2 4.42Å; L81-V125 HydrophobicContact CD1-CG1 4.02Å; L81-V125 HydrophobicContact CD1-CG2 3.99Å; L81-V125 HydrophobicContact CD2-CG1 4.25Å; I107-V125 HydrophobicContact CB-CG1 4.49Å; I107-V125 HydrophobicContact CG2-CG1 3.48Å; I107-V125 VanDerWaalsContact CG2-CG1 3.48Å; V109-V125 HydrophobicContact CG1-CB 3.9Å; V109-V125 HydrophobicContact CG1-CG1 3.66Å; V109-V125 HydrophobicContact CG1-CG2 3.88Å; P121-V125 WeakPolarHBondContact O-CG2 3.45Å; P121-V125 PolarHBondContact O-N 3.14Å; P121-V125 VanDerWaalsContact O-N 3.12Å; V122-V125 PolarHBondContact O-N 3.1Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.01Å; V125-I128 WeakPolarHBondContact O-CB 3.22Å; V125-I128 PolarHBondContact O-N 3.49Å; V125-G129 PolarHBondContact O-N 3.42Å; V125-V136 HydrophobicContact CG1-CG1 4.33Å
126A97.6Very high96.2Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-60.9-39.6174.800000112V122 E123 I128 G129 E130 V165 V168V122-A126 WeakPolarHBondContact O-CB 3.34Å; V122-A126 PolarHBondContact O-N 3.43Å; E123-A126 PolarHBondContact O-N 3.22Å; A126-I128 VanDerWaalsContact C-N 3.33Å; A126-I128 PolarHBondContact O-N 2.77Å; A126-G129 PolarHBondContact O-N 2.89Å; A126-E130 VanDerWaalsContact O-CB 3.3Å; A126-E130 WeakPolarHBondContact O-CB 3.42Å; A126-E130 PolarHBondContact O-N 2.88Å; A126-V165 HydrophobicContact CB-CG1 3.35Å; A126-V168 HydrophobicContact CB-CG2 4.04Å
127A97.6Very high96.3Very high54 Ų5431.5 Ų31.545%0.44618%0.175SC..Hα-helixtrans-62.8-37.5175.200000112.5E123 A124 V125 K131E123-A127 WeakPolarHBondContact O-CB 3.44Å; E123-A127 PolarHBondContact O-N 3.2Å; A124-A127 PolarHBondContact O-N 3.33Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.01Å; A127-K131 VanDerWaalsContact O-CB 3.3Å; A127-K131 WeakPolarHBondContact O-CB 3.34Å; A127-K131 PolarHBondContact O-N 3.28Å
128I95.1Very high96.3Very high22 Ų2231.5 Ų31.511%0.11318%0.175CC..Hα-helixtrans-63.9-50.4174-66165.5000110.5V78 L81 K82 V85 I107 A124 V125 A126 E130 K131 K132V78-I128 HydrophobicContact CG1-CD1 3.67Å; L81-I128 HydrophobicContact CD2-CD1 3.96Å; L81-I128 HydrophobicContact CD2-CG2 4.35Å; K82-I128 HydrophobicContact CB-CD1 3.99Å; K82-I128 HydrophobicContact CG-CD1 4.45Å; V85-I128 HydrophobicContact CG1-CG2 4.37Å; I107-I128 HydrophobicContact CD1-CG2 4.4Å; A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 2.98Å; V125-I128 WeakPolarHBondContact O-CB 3.22Å; V125-I128 PolarHBondContact O-N 3.49Å; A126-I128 VanDerWaalsContact C-N 3.33Å; A126-I128 PolarHBondContact O-N 2.77Å; I128-E130 PolarHBondContact O-N 3.46Å; I128-K131 PolarHBondContact O-N 3.41Å; I128-K132 WeakPolarHBondContact O-CB 3.11Å; I128-K132 WeakPolarHBondContact O-CG 3Å; I128-K132 PolarHBondContact O-N 2.71Å; I128-K132 VanDerWaalsContact O-N 3.14Å
129G94.3Very high96.3Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-60-46.5-179.800000111.8V125 A126 K132 G133 I134V125-G129 PolarHBondContact O-N 3.42Å; A126-G129 PolarHBondContact O-N 2.89Å; G129-K132 CarbonylContact O-C 3.6Å; G129-K132 PolarHBondContact O-N 3.07Å; G129-G133 PolarHBondContact O-N 3.29Å; G129-I134 CarbonylContact C-O 3.49Å; G129-I134 VanDerWaalsContact C-O 3.23Å; G129-I134 VanDerWaalsContact CA-O 3.31Å; G129-I134 WeakPolarHBondContact CA-O 3.37Å; G129-I134 PolarHBondContact O-N 3.27Å
130E94.2Very high96.4Very high72 Ų7230.1 Ų30.134%0.33617%0.168SC..Hα-helixtrans-57.1-52.4175.4175.5164.4-11900112.4A126 I128 K132 G133 R166A126-E130 VanDerWaalsContact O-CB 3.3Å; A126-E130 WeakPolarHBondContact O-CB 3.42Å; A126-E130 PolarHBondContact O-N 2.88Å; I128-E130 PolarHBondContact O-N 3.46Å; E130-K132 PolarHBondContact O-N 2.7Å; E130-K132 VanDerWaalsContact O-N 3.11Å; E130-G133 PolarHBondContact O-N 2.69Å; E130-R166 VanDerWaalsContact OE1-CD 3.29Å; E130-R166 WeakPolarHBondContact OE1-CD 3.26Å; E130-R166 WeakPolarHBondContact OE1-CG 3.4Å; E130-R166 IonicContact OE1-CZ 2.77Å; E130-R166 VanDerWaalsContact OE1-CZ 3.32Å; E130-R166 IonicContact OE1-NE 3.48Å; E130-R166 PolarHBondContact OE1-NE 3.09Å; E130-R166 IonicContact OE1-NH2 3.86Å; E130-R166 PolarHBondContact OE1-NH2 3.27Å; E130-R166 IonicContact OE2-CZ 2.61Å; E130-R166 VanDerWaalsContact OE2-CZ 3.26Å; E130-R166 IonicContact OE2-NE 3.29Å; E130-R166 PolarHBondContact OE2-NE 2.95Å; E130-R166 IonicContact OE2-NH2 2.77Å; E130-R166 PolarHBondContact OE2-NH2 3.13Å
131K92.5Very high96.4Very high185 Ų18530.4 Ų30.480%0.80417%0.17SC*.Hα-helixtrans-57.4-29.4179.8-178.4173.1-178.9172.50112.6A127 I128A127-K131 VanDerWaalsContact O-CB 3.3Å; A127-K131 WeakPolarHBondContact O-CB 3.34Å; A127-K131 PolarHBondContact O-N 3.28Å; I128-K131 PolarHBondContact O-N 3.41Å
132K89.9Confident96.4Very high90 Ų9030.4 Ų30.439%0.39117%0.169SC..Hα-helixtrans-98.2-3.4-177.8-64.5-79.2-172.3164.40113.5V85 N86 I128 G129 E130 I134V85-K132 HydrophobicContact CG1-CG 4.25Å; N86-K132 PolarHBondContact OD1-NZ 2.92Å; I128-K132 WeakPolarHBondContact O-CB 3.11Å; I128-K132 WeakPolarHBondContact O-CG 3Å; I128-K132 PolarHBondContact O-N 2.71Å; I128-K132 VanDerWaalsContact O-N 3.14Å; G129-K132 CarbonylContact O-C 3.6Å; G129-K132 PolarHBondContact O-N 3.07Å; E130-K132 PolarHBondContact O-N 2.7Å; E130-K132 VanDerWaalsContact O-N 3.11Å; K132-I134 HydrophobicContact CB-CB 4.48Å; K132-I134 HydrophobicContact CB-CD1 3.66Å; K132-I134 HydrophobicContact CB-CG1 3.91Å; K132-I134 HydrophobicContact CG-CD1 4.47Å; K132-I134 PolarHBondContact O-N 2.87Å
133G90.7Very high96.4Very high47 Ų4730.3 Ų30.349%0.48517%0.168SC..THydrogen-bonded Turntrans66.225-173.500000113.9R32 G129 E130R32-G133 PolarHBondContact NH2-O 3.08Å; R32-G133 VanDerWaalsContact NH2-O 3.07Å; G129-G133 PolarHBondContact O-N 3.29Å; E130-G133 PolarHBondContact O-N 2.69Å
134I93.7Very high96.4Very high7 Ų726.1 Ų26.14%0.03615%0.149CC..  trans-102.2125.8-178.9-61.7168.4000108.9V85 T104 I107 G129 K132V85-I134 HydrophobicContact CG1-CD1 3.4Å; T104-I134 HydrophobicContact CG2-CD1 4.15Å; T104-I134 HydrophobicContact CG2-CG2 4.18Å; I107-I134 HydrophobicContact CD1-CG2 4.19Å; I107-I134 HydrophobicContact CG1-CG2 3.95Å; G129-I134 CarbonylContact C-O 3.49Å; G129-I134 VanDerWaalsContact C-O 3.23Å; G129-I134 VanDerWaalsContact CA-O 3.31Å; G129-I134 WeakPolarHBondContact CA-O 3.37Å; G129-I134 PolarHBondContact O-N 3.27Å; K132-I134 HydrophobicContact CB-CB 4.48Å; K132-I134 HydrophobicContact CB-CD1 3.66Å; K132-I134 HydrophobicContact CB-CG1 3.91Å; K132-I134 HydrophobicContact CG-CD1 4.47Å; K132-I134 PolarHBondContact O-N 2.87Å
135P96.4Very high96.4Very high0 Ų025.4 Ų25.40%014%0.138CC..  trans-60.2137.1176.1-20.230.6000112.8Y29 S105 M106 I107 T169 Y195Y29-P135 HydrophobicContact CD1-CB 3.42Å; Y29-P135 VanDerWaalsContact CD1-CB 3.42Å; Y29-P135 HydrophobicContact CD1-CG 3.56Å; Y29-P135 HydrophobicContact CD2-CB 4.42Å; Y29-P135 HydrophobicContact CE1-CB 3.19Å; Y29-P135 HydrophobicContact CE1-CG 3.78Å; Y29-P135 HydrophobicContact CE2-CB 4.25Å; Y29-P135 HydrophobicContact CG-CB 4.03Å; Y29-P135 HydrophobicContact CG-CG 4.25Å; S105-P135 WeakPolarHBondContact O-CD 3.34Å; M106-P135 WeakPolarHBondContact CA-O 3.47Å; I107-P135 PolarHBondContact N-O 2.86Å; P135-T169 WeakPolarHBondContact CA-OG1 3.47Å; P135-T169 HydrophobicContact CB-CG2 4.32Å; P135-T169 WeakPolarHBondContact CB-OG1 3.31Å; P135-Y195 HydrophobicContact CB-CE1 4.22Å; P135-Y195 HydrophobicContact CG-CE1 3.81Å
136V98.2Very high96.4Very high0 Ų025.4 Ų25.40%014%0.138CC..EExtended strand (participates in β ladder)trans-110.5125.4172.6-174.10000110.3I107 V109 V125 T169 S170I107-V136 HydrophobicContact CB-CG2 4.32Å; I107-V136 HydrophobicContact CD1-CG2 4.45Å; I107-V136 CarbonylContact O-C 3.6Å; I107-V136 WeakPolarHBondContact O-CA 3.27Å; V109-V136 HydrophobicContact CG2-CG1 4.4Å; V125-V136 HydrophobicContact CG1-CG1 4.33Å; V136-T169 PolarHBondContact N-OG1 3Å; V136-T169 VanDerWaalsContact N-OG1 3.07Å; V136-T169 PolarHBondContact O-N 3Å; V136-T169 PolarHBondContact O-OG1 3.28Å; V136-S170 PolarHBondContact O-N 2.81Å
137H98.8Very high96.5Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-98.8134.5171.3-177.379.3000110.1Y29 F53 M106 I107 A108 V109 S170 S172Y29-H137 HydrophobicContact CE2-CB 4.16Å; F53-H137 AromaticContact CZ-CD2 3.83Å; M106-H137 HydrophobicContact CE-CB 4.2Å; I107-H137 PolarHBondContact O-N 2.86Å; A108-H137 VanDerWaalsContact CA-O 3.28Å; A108-H137 WeakPolarHBondContact CA-O 3.49Å; A108-H137 HydrophobicContact CB-CB 4.13Å; V109-H137 PolarHBondContact N-O 3.43Å; H137-S170 WeakPolarHBondContact CA-O 3.31Å; H137-S170 PolarHBondContact ND1-OG 3.35Å; H137-S172 PolarHBondContact CE1-N 3.3Å; H137-S172 PolarHBondContact NE2-OG 2.64Å
138V98.8Very high96.4Very high0 Ų024.6 Ų24.60%013%0.128CC..EExtended strand (participates in β ladder)trans-108.1113.7169.7-170.30000108.7V109 A111 V122 C140 V168 S170 I171 S172V109-V138 HydrophobicContact CG2-CG1 4.45Å; V109-V138 HydrophobicContact CG2-CG2 4.1Å; V109-V138 WeakPolarHBondContact O-CA 3.45Å; A111-V138 HydrophobicContact CB-CG1 3.89Å; V122-V138 HydrophobicContact CG1-CG2 3.72Å; V122-V138 HydrophobicContact CG2-CG1 4.07Å; V138-C140 VanDerWaalsContact CG1-SG 3.59Å; V138-C140 PolarHBondContact O-N 3.27Å; V138-C140 VanDerWaalsContact O-N 3.08Å; V138-V168 HydrophobicContact CG2-CB 4.41Å; V138-V168 HydrophobicContact CG2-CG1 3.79Å; V138-V168 HydrophobicContact CG2-CG2 3.7Å; V138-S170 PolarHBondContact N-O 3.33Å; V138-I171 HydrophobicContact CB-CG1 4.34Å; V138-I171 WeakPolarHBondContact O-CA 3.07Å; V138-S172 PolarHBondContact O-N 3.5Å
139D98.9Very high96.6Very high9 Ų924.1 Ų24.15%0.04813%0.125CC..EExtended strand (participates in β ladder)trans-7692.8173-178.96.8000109.6F53 V109 A111 C141 S172F53-D139 HydrophobicContact CE2-CB 4.34Å; F53-D139 HydrophobicContact CZ-CB 4.36Å; V109-D139 PolarHBondContact O-N 3.12Å; A111-D139 PolarHBondContact N-O 3.18Å; D139-C141 WeakPolarHBondContact OD1-CB 3.5Å; D139-C141 PolarHBondContact OD1-N 2.92Å; D139-C141 PolarHBondContact OD1-SG 3.33Å; D139-S172 PolarHBondContact OD1-OG 2.93Å
140C98.7Very high96.8Very high0 Ų024.2 Ų24.20%013%0.126CC..  trans-99.222.2170.9-62.90000110.9V138 L142 G143 G144 L147 I171 S172V138-C140 VanDerWaalsContact CG1-SG 3.59Å; V138-C140 PolarHBondContact O-N 3.27Å; V138-C140 VanDerWaalsContact O-N 3.08Å; C140-L142 PolarHBondContact O-N 3.46Å; C140-G143 PolarHBondContact O-N 3.18Å; C140-G144 VanDerWaalsContact O-CA 3.29Å; C140-G144 WeakPolarHBondContact O-CA 3.28Å; C140-G144 PolarHBondContact O-N 2.64Å; C140-L147 HydrophobicContact CB-CD1 4.43Å; C140-I171 HydrophobicContact CB-CG2 3.78Å; C140-S172 CarbonylContact C-O 3.52Å; C140-S172 WeakPolarHBondContact CA-O 3.48Å; C140-S172 WeakPolarHBondContact CB-O 3.32Å; C140-S172 PolarHBondContact N-O 3.41Å
141C98.7Very high96.9Very high7 Ų727.7 Ų27.75%0.04714%0.142CC..THydrogen-bonded Turntrans-54-47.9179.9-74.10000110.2G18 D139 S172 D174 K177G18-C141 WeakPolarHBondContact CA-SG 3.49Å; D139-C141 WeakPolarHBondContact OD1-CB 3.5Å; D139-C141 PolarHBondContact OD1-N 2.92Å; D139-C141 PolarHBondContact OD1-SG 3.33Å; C141-S172 PolarHBondContact N-O 3.04Å; C141-S172 VanDerWaalsContact SG-CB 3.51Å; C141-S172 PolarHBondContact SG-OG 2.88Å; C141-D174 WeakPolarHBondContact CB-OD2 3.26Å; C141-D174 VanDerWaalsContact O-CB 3.27Å; C141-D174 WeakPolarHBondContact O-CB 3.33Å; C141-D174 PolarHBondContact O-N 2.66Å; C141-K177 WeakPolarHBondContact O-CD 3.44Å
142L98.5Very high97.1Very high15 Ų1525.7 Ų25.78%0.07913%0.129CC..THydrogen-bonded Turntrans-77.3-46.7177-178.862.1000113P112 C140 K177 Y178 V274P112-L142 HydrophobicContact CG-CD2 3.91Å; P112-L142 HydrophobicContact CG-CG 4.28Å; C140-L142 PolarHBondContact O-N 3.46Å; L142-K177 HydrophobicContact CD1-CD 4.07Å; L142-Y178 HydrophobicContact CD1-CE2 3.74Å; L142-Y178 HydrophobicContact CG-CE2 4.43Å; L142-Y178 WeakPolarHBondContact O-CD2 3.47Å; L142-Y178 VanDerWaalsContact O-CE2 3.31Å; L142-Y178 WeakPolarHBondContact O-CE2 3.49Å; L142-V274 HydrophobicContact CD2-CG2 3.75Å
143G98.1Very high97.5Very high0 Ų021.4 Ų21.40%011%0.11CC..THydrogen-bonded Turntrans-91.4-11.5-170.400000116.4A111 C140 F145 L146 L147A111-G143 VanDerWaalsContact O-CA 3.31Å; A111-G143 WeakPolarHBondContact O-CA 3.18Å; A111-G143 PolarHBondContact O-N 2.93Å; C140-G143 PolarHBondContact O-N 3.18Å; G143-F145 PolarHBondContact O-N 2.93Å; G143-L146 PolarHBondContact O-N 2.85Å; G143-L147 WeakPolarHBondContact O-CB 3.43Å; G143-L147 VanDerWaalsContact O-CG 3.31Å; G143-L147 WeakPolarHBondContact O-CG 3.38Å; G143-L147 PolarHBondContact O-N 2.91Å
144G97.5Very high97.8Very high0 Ų024.4 Ų24.40%012%0.116CC..THydrogen-bonded Turntrans-66.8-16.9-16200000116.2C140 P148C140-G144 VanDerWaalsContact O-CA 3.29Å; C140-G144 WeakPolarHBondContact O-CA 3.28Å; C140-G144 PolarHBondContact O-N 2.64Å; G144-P148 WeakPolarHBondContact O-CD 3.12Å; G144-P148 VanDerWaalsContact O-CG 3.22Å; G144-P148 WeakPolarHBondContact O-CG 3.38Å
145F98.3Very high98Very high25 Ų2526.8 Ų26.811%0.1112%0.124CC..THydrogen-bonded Turntrans-104.59171.8-84.3-88.9000114G143 F149 C173 T175 Y178 G179 L232 Y240G143-F145 PolarHBondContact O-N 2.93Å; F145-F149 VanDerWaalsContact O-CD2 3.26Å; F145-F149 WeakPolarHBondContact O-CD2 3.38Å; F145-F149 WeakPolarHBondContact O-CE2 3.05Å; F145-C173 WeakPolarHBondContact CD2-SG 3.45Å; F145-C173 WeakPolarHBondContact CE2-SG 3.39Å; F145-T175 HydrophobicContact CE2-CG2 3.59Å; F145-T175 HydrophobicContact CZ-CG2 3.7Å; F145-Y178 WeakPolarHBondContact CB-O 3.5Å; F145-G179 VanDerWaalsContact CG-CA 3.45Å; F145-L232 HydrophobicContact CE1-CD2 3.5Å; F145-L232 VanDerWaalsContact CE1-CD2 3.5Å; F145-L232 HydrophobicContact CZ-CD2 3.63Å; F145-Y240 HydrophobicContact CD1-CD1 4.12Å; F145-Y240 AromaticContact CD1-CE1 3.74Å; F145-Y240 HydrophobicContact CD1-CE1 3.74Å; F145-Y240 HydrophobicContact CD1-CE2 4.43Å; F145-Y240 AromaticContact CD1-CZ 3.94Å; F145-Y240 HydrophobicContact CE1-CE1 4.26Å; F145-Y240 HydrophobicContact CE1-CE2 4.33Å; F145-Y240 AromaticContact CE1-CZ 3.98Å
146L98.6Very high98.1Very high0 Ų030.4 Ų30.40%015%0.148CC..THydrogen-bonded Turntrans-111.3-52.9168.3-63.9176.1000110.3G143 P148 F149 M150 Y178 T244 I247 L272G143-L146 PolarHBondContact O-N 2.85Å; L146-P148 VanDerWaalsContact C-N 3.35Å; L146-P148 VanDerWaalsContact O-N 3.14Å; L146-F149 PolarHBondContact O-N 3.46Å; L146-M150 WeakPolarHBondContact O-CG 3.45Å; L146-M150 PolarHBondContact O-N 3.05Å; L146-Y178 HydrophobicContact CD1-CD1 4.16Å; L146-Y178 HydrophobicContact CD1-CD2 3.66Å; L146-Y178 HydrophobicContact CD1-CE1 4.13Å; L146-Y178 HydrophobicContact CD1-CE2 3.62Å; L146-Y178 HydrophobicContact CD1-CG 3.94Å; L146-Y178 HydrophobicContact CD2-CD1 3.99Å; L146-Y178 HydrophobicContact CD2-CD2 4.48Å; L146-Y178 HydrophobicContact CD2-CG 3.96Å; L146-Y178 HydrophobicContact CG-CD1 4.15Å; L146-Y178 HydrophobicContact CG-CD2 3.77Å; L146-Y178 HydrophobicContact CG-CE2 4.26Å; L146-Y178 HydrophobicContact CG-CG 3.71Å; L146-T244 HydrophobicContact CB-CG2 4.42Å; L146-T244 HydrophobicContact CD2-CG2 4.14Å; L146-I247 HydrophobicContact CD1-CG2 4.39Å; L146-I247 HydrophobicContact CD2-CD1 4.08Å; L146-I247 HydrophobicContact CD2-CG2 4.4Å; L146-L272 HydrophobicContact CB-CD2 4.13Å
147L98.2Very high98Very high4 Ų432.4 Ų32.42%0.02116%0.159CC..G310 helixtrans-45.8-45.4-175.3-71164.6000114.6A111 I119 C140 G143 F149 M150 L157 F161 L272A111-L147 HydrophobicContact CB-CD1 3.72Å; A111-L147 VanDerWaalsContact O-CD1 3.26Å; A111-L147 WeakPolarHBondContact O-CD1 3.44Å; I119-L147 HydrophobicContact CD1-CD2 3.74Å; C140-L147 HydrophobicContact CB-CD1 4.43Å; G143-L147 WeakPolarHBondContact O-CB 3.43Å; G143-L147 VanDerWaalsContact O-CG 3.31Å; G143-L147 WeakPolarHBondContact O-CG 3.38Å; G143-L147 PolarHBondContact O-N 2.91Å; L147-F149 PolarHBondContact O-N 3.27Å; L147-M150 WeakPolarHBondContact O-CB 3.21Å; L147-M150 WeakPolarHBondContact O-CG 3.37Å; L147-M150 PolarHBondContact O-N 3.25Å; L147-L157 HydrophobicContact CD2-CD1 3.49Å; L147-L157 VanDerWaalsContact CD2-CD1 3.49Å; L147-F161 HydrophobicContact CB-CD1 4.17Å; L147-F161 HydrophobicContact CB-CD2 4.22Å; L147-F161 HydrophobicContact CB-CE1 3.6Å; L147-F161 HydrophobicContact CB-CE2 3.64Å; L147-F161 HydrophobicContact CB-CG 4.47Å; L147-F161 HydrophobicContact CB-CZ 3.32Å; L147-F161 HydrophobicContact CD1-CD1 4.48Å; L147-F161 HydrophobicContact CD1-CD2 3.69Å; L147-F161 HydrophobicContact CD1-CE2 3.82Å; L147-F161 HydrophobicContact CD1-CG 4.06Å; L147-F161 HydrophobicContact CD1-CZ 4.32Å; L147-F161 HydrophobicContact CD2-CD1 4.11Å; L147-F161 HydrophobicContact CD2-CE1 4.31Å; L147-F161 HydrophobicContact CD2-CG 4.36Å; L147-F161 HydrophobicContact CG-CD2 4.46Å; L147-F161 HydrophobicContact CG-CE1 4.41Å; L147-F161 HydrophobicContact CG-CE2 4.33Å; L147-F161 HydrophobicContact CG-CZ 4.34Å; L147-L272 HydrophobicContact CD2-CD1 3.74Å; L147-L272 HydrophobicContact CD2-CD2 4.19Å; L147-L272 HydrophobicContact CD2-CG 4.46Å; L147-L272 HydrophobicContact CG-CD1 3.98Å
148P97.1Very high97.7Very high33 Ų3338.9 Ų38.921%0.21419%0.193CC..G310 helixtrans-72-13.2-177.3-16.433000114L2 G144 L146 F161L2-P148 HydrophobicContact CD2-CB 4.35Å; L2-P148 HydrophobicContact CD2-CG 3.37Å; L2-P148 HydrophobicContact CG-CB 4.33Å; L2-P148 HydrophobicContact CG-CG 3.54Å; G144-P148 WeakPolarHBondContact O-CD 3.12Å; G144-P148 VanDerWaalsContact O-CG 3.22Å; G144-P148 WeakPolarHBondContact O-CG 3.38Å; L146-P148 VanDerWaalsContact C-N 3.35Å; L146-P148 VanDerWaalsContact O-N 3.14Å; P148-F161 HydrophobicContact CG-CZ 4.33Å
149F98Very high97.5Very high13 Ų1342.4 Ų42.46%0.05721%0.209CC..G310 helixtrans-108-8.2-176.5-51.6-72.3000112.3F145 L146 L147 E151 R152 A153 Y240 I241 T244F145-F149 VanDerWaalsContact O-CD2 3.26Å; F145-F149 WeakPolarHBondContact O-CD2 3.38Å; F145-F149 WeakPolarHBondContact O-CE2 3.05Å; L146-F149 PolarHBondContact O-N 3.46Å; L147-F149 PolarHBondContact O-N 3.27Å; F149-E151 PolarHBondContact O-N 2.85Å; F149-R152 CarbonylContact O-C 3.55Å; F149-R152 PolarHBondContact O-N 3.37Å; F149-R152 VanDerWaalsContact O-N 3.17Å; F149-A153 WeakPolarHBondContact O-CB 3.06Å; F149-A153 PolarHBondContact O-N 2.9Å; F149-Y240 HydrophobicContact CE1-CG 4.4Å; F149-Y240 VanDerWaalsContact CE2-CB 3.47Å; F149-Y240 HydrophobicContact CE2-CD1 4.34Å; F149-Y240 HydrophobicContact CE2-CD2 4.42Å; F149-Y240 AromaticContact CE2-CG 3.85Å; F149-Y240 HydrophobicContact CE2-CG 3.85Å; F149-Y240 AromaticContact CZ-CD2 3.9Å; F149-Y240 HydrophobicContact CZ-CD2 3.9Å; F149-Y240 AromaticContact CZ-CG 3.73Å; F149-Y240 HydrophobicContact CZ-CG 3.73Å; F149-I241 HydrophobicContact CB-CG1 4.14Å; F149-I241 HydrophobicContact CD1-CG1 3.8Å; F149-I241 HydrophobicContact CG-CG1 4.34Å; F149-T244 HydrophobicContact CB-CG2 4.18Å
150M98.1Very high97.4Very high2 Ų243 Ų431%0.0122%0.215CC..THydrogen-bonded Turntrans-50.7-51.2-177-72.9-60.8-74.200113.2L146 L147 R152 A153 D154 Y155 L157 T244 I248 R271 L272L146-M150 WeakPolarHBondContact O-CG 3.45Å; L146-M150 PolarHBondContact O-N 3.05Å; L147-M150 WeakPolarHBondContact O-CB 3.21Å; L147-M150 WeakPolarHBondContact O-CG 3.37Å; L147-M150 PolarHBondContact O-N 3.25Å; M150-R152 PolarHBondContact O-N 2.93Å; M150-A153 CarbonylContact O-C 3.49Å; M150-A153 PolarHBondContact O-N 2.73Å; M150-D154 PolarHBondContact O-N 3.43Å; M150-Y155 CarbonylContact C-O 3.47Å; M150-Y155 WeakPolarHBondContact CB-O 3.43Å; M150-Y155 WeakPolarHBondContact CE-O 3.26Å; M150-Y155 CarbonylContact O-C 3.23Å; M150-Y155 WeakPolarHBondContact O-CA 3.2Å; M150-Y155 PolarHBondContact O-N 3.44Å; M150-L157 HydrophobicContact CB-CD1 4.35Å; M150-L157 HydrophobicContact CB-CG 4.06Å; M150-L157 HydrophobicContact CE-CD2 3.99Å; M150-L157 HydrophobicContact CG-CD1 4.2Å; M150-L157 HydrophobicContact CG-CD2 4.28Å; M150-L157 HydrophobicContact CG-CG 4.17Å; M150-T244 HydrophobicContact SD-CG2 3.91Å; M150-I248 HydrophobicContact CE-CD1 3.98Å; M150-I248 HydrophobicContact CE-CG1 4.11Å; M150-I248 HydrophobicContact CE-CG2 4.3Å; M150-I248 HydrophobicContact SD-CD1 3.7Å; M150-I248 HydrophobicContact SD-CG1 3.66Å; M150-R271 WeakPolarHBondContact CE-O 3.36Å; M150-L272 HydrophobicContact CE-CD2 3.67Å; M150-L272 HydrophobicContact CG-CD2 4.07Å; M150-L272 HydrophobicContact SD-CD2 3.45Å; M150-L272 WeakPolarHBondContact SD-CD2 3.16Å
151E96.9Very high97.3Very high145 Ų14543.2 Ų43.268%0.67822%0.216SC*.G310 helixtrans-59.5-49178.4-176.8-179.9-175.100112F149 A153 D154F149-E151 PolarHBondContact O-N 2.85Å; E151-A153 PolarHBondContact O-N 2.87Å; E151-D154 PolarHBondContact O-N 3.42Å; E151-D154 VanDerWaalsContact O-N 3.08Å
152R97.7Very high97.1Very high142 Ų14243.1 Ų43.154%0.53622%0.216SC..G310 helixtrans-73.5-11.6179.5-64.7174.966.8-166.2-0.7113.6F149 M150 S237 I241 R245F149-R152 CarbonylContact O-C 3.55Å; F149-R152 PolarHBondContact O-N 3.37Å; F149-R152 VanDerWaalsContact O-N 3.17Å; M150-R152 PolarHBondContact O-N 2.93Å; R152-S237 PolarHBondContact NH1-OG 3.32Å; R152-I241 HydrophobicContact CB-CD1 4.04Å; R152-I241 HydrophobicContact CB-CG1 4.1Å; R152-I241 HydrophobicContact CB-CG2 4.27Å; R152-I241 VanDerWaalsContact O-CG2 3.25Å; R152-I241 WeakPolarHBondContact O-CG2 3.29Å; R152-R245 PolarHBondContact O-NH2 3.14Å
153A98Very high97.1Very high0 Ų042.8 Ų42.80%021%0.214CC..G310 helixtrans-96.610.4173.300000112.1F149 M150 E151 Y155 I241 T244 R245F149-A153 WeakPolarHBondContact O-CB 3.06Å; F149-A153 PolarHBondContact O-N 2.9Å; M150-A153 CarbonylContact O-C 3.49Å; M150-A153 PolarHBondContact O-N 2.73Å; E151-A153 PolarHBondContact O-N 2.87Å; A153-Y155 VanDerWaalsContact C-N 3.34Å; A153-Y155 WeakPolarHBondContact O-CD2 3.1Å; A153-Y155 WeakPolarHBondContact O-CE2 3.29Å; A153-I241 HydrophobicContact CB-CG2 4.41Å; A153-T244 HydrophobicContact CB-CG2 3.86Å; A153-R245 HydrophobicContact CB-CB 4Å
154D97.5Very high96.9Very high111 Ų11149.5 Ų49.559%0.59424%0.239SC*.THydrogen-bonded Turntrans71.824.3176.4-44.5-65.7000114.1M150 E151 R245M150-D154 PolarHBondContact O-N 3.43Å; E151-D154 PolarHBondContact O-N 3.42Å; E151-D154 VanDerWaalsContact O-N 3.08Å; D154-R245 IonicContact OD2-CZ 2.61Å; D154-R245 IonicContact OD2-NE 2.69Å; D154-R245 PolarHBondContact OD2-NE 2.98Å; D154-R245 IonicContact OD2-NH2 3.86Å; D154-R245 PolarHBondContact OD2-NH2 2.85Å
155Y97.9Very high96.9Very high56 Ų5650.2 Ų50.222%0.2224%0.243CC..  trans-132.263.7178.3-64.3-76.4000111.3M150 A153 I248 H249 R252M150-Y155 CarbonylContact C-O 3.47Å; M150-Y155 WeakPolarHBondContact CB-O 3.43Å; M150-Y155 WeakPolarHBondContact CE-O 3.26Å; M150-Y155 CarbonylContact O-C 3.23Å; M150-Y155 WeakPolarHBondContact O-CA 3.2Å; M150-Y155 PolarHBondContact O-N 3.44Å; A153-Y155 VanDerWaalsContact C-N 3.34Å; A153-Y155 WeakPolarHBondContact O-CD2 3.1Å; A153-Y155 WeakPolarHBondContact O-CE2 3.29Å; Y155-I248 HydrophobicContact CD1-CG2 3.62Å; Y155-I248 HydrophobicContact CD2-CB 3.72Å; Y155-I248 HydrophobicContact CD2-CG1 4.49Å; Y155-I248 HydrophobicContact CD2-CG2 3.42Å; Y155-I248 VanDerWaalsContact CD2-CG2 3.42Å; Y155-I248 HydrophobicContact CE1-CG2 3.9Å; Y155-I248 HydrophobicContact CE2-CB 3.87Å; Y155-I248 HydrophobicContact CE2-CG2 3.72Å; Y155-I248 HydrophobicContact CG-CB 4.2Å; Y155-I248 HydrophobicContact CG-CG2 3.38Å; Y155-H249 WeakPolarHBondContact OH-CA 3.29Å; Y155-H249 PolarHBondContact OH-ND1 3.46Å; Y155-R252 HydrophobicContact CE1-CG 4.06Å
156P97.4Very high96.8Very high76 Ų7657.4 Ų57.449%0.49427%0.27SS..  trans-56.2149.9-177.826-34.9000112.4R271P156-R271 PolarHBondContact O-NH2 2.83Å
157L96.3Very high96.7Very high43 Ų4357.7 Ų57.723%0.22527%0.273CS..  trans-95.1148.7173.8-61173.7000109.2I119 L147 M150 E159 F161 R271I119-L157 HydrophobicContact CD1-CD2 3.9Å; L147-L157 HydrophobicContact CD2-CD1 3.49Å; L147-L157 VanDerWaalsContact CD2-CD1 3.49Å; M150-L157 HydrophobicContact CB-CD1 4.35Å; M150-L157 HydrophobicContact CB-CG 4.06Å; M150-L157 HydrophobicContact CE-CD2 3.99Å; M150-L157 HydrophobicContact CG-CD1 4.2Å; M150-L157 HydrophobicContact CG-CD2 4.28Å; M150-L157 HydrophobicContact CG-CG 4.17Å; L157-E159 VanDerWaalsContact C-N 3.33Å; L157-F161 HydrophobicContact CD1-CD1 3.82Å; L157-F161 HydrophobicContact CD1-CE1 3.93Å; L157-R271 HydrophobicContact CD2-CB 4.46Å
158D93.1Very high96.7Very high135 Ų13557.5 Ų57.572%0.72227%0.272SS*.SBendtrans-77.1-22.1-177.6-51.6-49.2000112.5
159E93.8Very high96.6Very high74 Ų7456.4 Ų56.435%0.34627%0.265SS..SBendtrans-136.7152.3-174.7-63.5176-126.100111E123 L157E123-E159 HydrophobicContact CG-CB 4.27Å; L157-E159 VanDerWaalsContact C-N 3.33Å
160A96.7Very high96.7Very high21 Ų2155.8 Ų55.817%0.17426%0.262CS..  trans-75.8147.5168.600000111.1E123 R164 V165E123-A160 WeakPolarHBondContact OE1-CB 3.32Å; E123-A160 PolarHBondContact OE1-N 3.02Å; A160-R164 HydrophobicContact CB-CB 4.48Å; A160-V165 HydrophobicContact CB-CG2 3.61Å; A160-V165 WeakPolarHBondContact O-CG2 3.22Å
161F96.4Very high96.7Very high5 Ų555.7 Ų55.72%0.02226%0.261CS..  trans-124.7-7.1-176.563.3-89.4000113.3L2 A111 V122 L147 P148 L157L2-F161 HydrophobicContact CD2-CE2 4.19Å; A111-F161 HydrophobicContact CB-CB 4.4Å; V122-F161 HydrophobicContact CG2-CB 4.17Å; L147-F161 HydrophobicContact CB-CD1 4.17Å; L147-F161 HydrophobicContact CB-CD2 4.22Å; L147-F161 HydrophobicContact CB-CE1 3.6Å; L147-F161 HydrophobicContact CB-CE2 3.64Å; L147-F161 HydrophobicContact CB-CG 4.47Å; L147-F161 HydrophobicContact CB-CZ 3.32Å; L147-F161 HydrophobicContact CD1-CD1 4.48Å; L147-F161 HydrophobicContact CD1-CD2 3.69Å; L147-F161 HydrophobicContact CD1-CE2 3.82Å; L147-F161 HydrophobicContact CD1-CG 4.06Å; L147-F161 HydrophobicContact CD1-CZ 4.32Å; L147-F161 HydrophobicContact CD2-CD1 4.11Å; L147-F161 HydrophobicContact CD2-CE1 4.31Å; L147-F161 HydrophobicContact CD2-CG 4.36Å; L147-F161 HydrophobicContact CG-CD2 4.46Å; L147-F161 HydrophobicContact CG-CE1 4.41Å; L147-F161 HydrophobicContact CG-CE2 4.33Å; L147-F161 HydrophobicContact CG-CZ 4.34Å; P148-F161 HydrophobicContact CG-CZ 4.33Å; L157-F161 HydrophobicContact CD1-CD1 3.82Å; L157-F161 HydrophobicContact CD1-CE1 3.93Å
162D96.3Very high96.8Very high6 Ų648.8 Ų48.83%0.03223%0.229CC..SBendtrans-112.2-163.8-170.563.135.6000112.5R164 V165 I171D162-R164 PolarHBondContact O-N 3.18Å; D162-R164 WeakPolarHBondContact OD1-CB 3.19Å; D162-R164 VanDerWaalsContact OD1-CG 3.24Å; D162-R164 WeakPolarHBondContact OD1-CG 3.22Å; D162-R164 IonicContact OD1-CZ 2.9Å; D162-R164 PolarHBondContact OD1-N 3.45Å; D162-R164 IonicContact OD1-NE 3.71Å; D162-R164 PolarHBondContact OD1-NE 3.42Å; D162-R164 IonicContact OD1-NH2 2.89Å; D162-R164 IonicContact OD2-CZ 2.77Å; D162-R164 VanDerWaalsContact OD2-CZ 3.29Å; D162-R164 IonicContact OD2-NE 2.97Å; D162-R164 PolarHBondContact OD2-NE 2.85Å; D162-R164 VanDerWaalsContact OD2-NE 3.07Å; D162-R164 IonicContact OD2-NH2 3.39Å; D162-R164 PolarHBondContact OD2-NH2 3.05Å; D162-V165 WeakPolarHBondContact O-CB 3.24Å; D162-V165 PolarHBondContact O-N 2.96Å; D162-I171 HydrophobicContact CB-CD1 3.82Å
163F96.6Very high96.8Very high8 Ų842.1 Ų42.14%0.03520%0.204CC..THydrogen-bonded Turntrans-64.1-8.5-178-62.4-58.2000115F3 L10 V165 V168 I171 M189 K191F3-F163 HydrophobicContact CD1-CD2 4.14Å; F3-F163 AromaticContact CE1-CD2 3.56Å; F3-F163 HydrophobicContact CE1-CD2 3.56Å; F3-F163 AromaticContact CE1-CE2 3.77Å; F3-F163 HydrophobicContact CE1-CE2 3.77Å; F3-F163 HydrophobicContact CZ-CE2 4.4Å; L10-F163 HydrophobicContact CD1-CD2 3.72Å; L10-F163 HydrophobicContact CD1-CE2 4.19Å; L10-F163 HydrophobicContact CD2-CB 4.46Å; L10-F163 HydrophobicContact CD2-CD1 4.31Å; L10-F163 HydrophobicContact CD2-CD2 3.46Å; L10-F163 VanDerWaalsContact CD2-CD2 3.46Å; L10-F163 HydrophobicContact CD2-CE1 4.45Å; L10-F163 HydrophobicContact CD2-CE2 3.66Å; L10-F163 HydrophobicContact CD2-CG 3.84Å; L10-F163 HydrophobicContact CD2-CZ 4.16Å; L10-F163 HydrophobicContact CG-CD2 4.24Å; L10-F163 HydrophobicContact CG-CE2 4.5Å; F163-V165 PolarHBondContact O-N 2.82Å; F163-V168 HydrophobicContact CD1-CG1 3.89Å; F163-V168 HydrophobicContact CE1-CG1 4.08Å; F163-I171 HydrophobicContact CD1-CD1 4.17Å; F163-I171 HydrophobicContact CD1-CG1 4.46Å; F163-I171 HydrophobicContact CD2-CD1 3.92Å; F163-I171 HydrophobicContact CE1-CD1 4.05Å; F163-I171 HydrophobicContact CE1-CG1 3.93Å; F163-I171 HydrophobicContact CE2-CD1 3.78Å; F163-I171 HydrophobicContact CE2-CG1 4.2Å; F163-I171 HydrophobicContact CG-CD1 4.09Å; F163-I171 HydrophobicContact CZ-CB 4.18Å; F163-I171 HydrophobicContact CZ-CD1 3.85Å; F163-I171 HydrophobicContact CZ-CG1 3.78Å; F163-M189 HydrophobicContact CE2-CB 4.03Å; F163-M189 HydrophobicContact CZ-CB 3.98Å; F163-K191 HydrophobicContact CD1-CB 3.97Å; F163-K191 HydrophobicContact CD1-CD 4.47Å; F163-K191 HydrophobicContact CD1-CG 4.41Å; F163-K191 HydrophobicContact CE1-CB 3.97Å
164R95.5Very high96.8Very high140 Ų14042.3 Ų42.353%0.52821%0.205SC..THydrogen-bonded Turntrans-58.9-28.7165.6-69.9174.5-73.2171.4-1.2111.4A160 D162 R166A160-R164 HydrophobicContact CB-CB 4.48Å; D162-R164 PolarHBondContact O-N 3.18Å; D162-R164 WeakPolarHBondContact OD1-CB 3.19Å; D162-R164 VanDerWaalsContact OD1-CG 3.24Å; D162-R164 WeakPolarHBondContact OD1-CG 3.22Å; D162-R164 IonicContact OD1-CZ 2.9Å; D162-R164 PolarHBondContact OD1-N 3.45Å; D162-R164 IonicContact OD1-NE 3.71Å; D162-R164 PolarHBondContact OD1-NE 3.42Å; D162-R164 IonicContact OD1-NH2 2.89Å; D162-R164 IonicContact OD2-CZ 2.77Å; D162-R164 VanDerWaalsContact OD2-CZ 3.29Å; D162-R164 IonicContact OD2-NE 2.97Å; D162-R164 PolarHBondContact OD2-NE 2.85Å; D162-R164 VanDerWaalsContact OD2-NE 3.07Å; D162-R164 IonicContact OD2-NH2 3.39Å; D162-R164 PolarHBondContact OD2-NH2 3.05Å; R164-R166 PolarHBondContact O-N 3.12Å
165V97Very high96.9Very high15 Ų1537.2 Ų37.29%0.09118%0.178CC..SBendtrans-79.3115.8173-173.90000109.5V122 E123 A126 A160 D162 F163 G167 V168V122-V165 HydrophobicContact CG1-CG2 4.49Å; E123-V165 HydrophobicContact CG-CG1 4.35Å; E123-V165 HydrophobicContact CG-CG2 3.9Å; A126-V165 HydrophobicContact CB-CG1 3.35Å; A160-V165 HydrophobicContact CB-CG2 3.61Å; A160-V165 WeakPolarHBondContact O-CG2 3.22Å; D162-V165 WeakPolarHBondContact O-CB 3.24Å; D162-V165 PolarHBondContact O-N 2.96Å; F163-V165 PolarHBondContact O-N 2.82Å; V165-G167 VanDerWaalsContact C-N 3.3Å; V165-G167 PolarHBondContact O-N 3.01Å; V165-V168 HydrophobicContact CB-CB 4.43Å; V165-V168 HydrophobicContact CB-CG2 3.73Å; V165-V168 HydrophobicContact CG1-CG2 3.98Å; V165-V168 WeakPolarHBondContact O-CB 3.41Å; V165-V168 PolarHBondContact O-N 3.1Å
166R95.9Very high96.9Very high176 Ų17636 Ų3666%0.66417%0.174SC*.THydrogen-bonded Turntrans-57.5-37.5-169-162.4176.859.7171.95.1113.8E130 R164 V168 K191E130-R166 VanDerWaalsContact OE1-CD 3.29Å; E130-R166 WeakPolarHBondContact OE1-CD 3.26Å; E130-R166 WeakPolarHBondContact OE1-CG 3.4Å; E130-R166 IonicContact OE1-CZ 2.77Å; E130-R166 VanDerWaalsContact OE1-CZ 3.32Å; E130-R166 IonicContact OE1-NE 3.48Å; E130-R166 PolarHBondContact OE1-NE 3.09Å; E130-R166 IonicContact OE1-NH2 3.86Å; E130-R166 PolarHBondContact OE1-NH2 3.27Å; E130-R166 IonicContact OE2-CZ 2.61Å; E130-R166 VanDerWaalsContact OE2-CZ 3.26Å; E130-R166 IonicContact OE2-NE 3.29Å; E130-R166 PolarHBondContact OE2-NE 2.95Å; E130-R166 IonicContact OE2-NH2 2.77Å; E130-R166 PolarHBondContact OE2-NH2 3.13Å; R164-R166 PolarHBondContact O-N 3.12Å; R166-V168 PolarHBondContact O-N 3.29Å; R166-K191 PolarHBondContact O-NZ 2.69Å
167G96.1Very high96.9Very high6 Ų635.4 Ų35.46%0.06216%0.164CC..THydrogen-bonded Turntrans-77.6-10.217900000116V165 T169V165-G167 VanDerWaalsContact C-N 3.3Å; V165-G167 PolarHBondContact O-N 3.01Å; G167-T169 PolarHBondContact O-N 3.37Å
168V97.7Very high97Very high0 Ų033.8 Ų33.80%016%0.155CC..EExtended strand (participates in β ladder)trans-73.5127.4177.8173.30000109.7V122 A126 V138 F163 V165 R166 I171 K191V122-V168 HydrophobicContact CG1-CG2 3.78Å; A126-V168 HydrophobicContact CB-CG2 4.04Å; V138-V168 HydrophobicContact CG2-CB 4.41Å; V138-V168 HydrophobicContact CG2-CG1 3.79Å; V138-V168 HydrophobicContact CG2-CG2 3.7Å; F163-V168 HydrophobicContact CD1-CG1 3.89Å; F163-V168 HydrophobicContact CE1-CG1 4.08Å; V165-V168 HydrophobicContact CB-CB 4.43Å; V165-V168 HydrophobicContact CB-CG2 3.73Å; V165-V168 HydrophobicContact CG1-CG2 3.98Å; V165-V168 WeakPolarHBondContact O-CB 3.41Å; V165-V168 PolarHBondContact O-N 3.1Å; R166-V168 PolarHBondContact O-N 3.29Å; V168-I171 HydrophobicContact CG1-CD1 4.21Å; V168-I171 HydrophobicContact CG1-CG1 3.88Å; V168-K191 WeakPolarHBondContact O-CD 3.44Å
169T96.9Very high97.3Very high11 Ų1127.3 Ų27.37%0.06712%0.12CC..EExtended strand (participates in β ladder)trans-116.9-22.7-174.160.50000114Y29 P135 V136 G167 Y190 K191 Y195Y29-T169 PolarHBondContact OH-OG1 2.96Å; P135-T169 WeakPolarHBondContact CA-OG1 3.47Å; P135-T169 HydrophobicContact CB-CG2 4.32Å; P135-T169 WeakPolarHBondContact CB-OG1 3.31Å; V136-T169 PolarHBondContact N-OG1 3Å; V136-T169 VanDerWaalsContact N-OG1 3.07Å; V136-T169 PolarHBondContact O-N 3Å; V136-T169 PolarHBondContact O-OG1 3.28Å; G167-T169 PolarHBondContact O-N 3.37Å; T169-Y190 WeakPolarHBondContact O-CA 3.36Å; T169-K191 PolarHBondContact O-N 3.22Å; T169-Y195 HydrophobicContact CG2-CE2 3.74Å
170S98.4Very high97.5Very high0 Ų026.4 Ų26.40%011%0.114CC..EExtended strand (participates in β ladder)trans-150.8158.8168.1640000112.6Y29 V136 H137 V138 M189Y29-S170 WeakPolarHBondContact OH-CB 3.31Å; Y29-S170 PolarHBondContact OH-N 3.15Å; Y29-S170 PolarHBondContact OH-OG 3.1Å; V136-S170 PolarHBondContact O-N 2.81Å; H137-S170 WeakPolarHBondContact CA-O 3.31Å; H137-S170 PolarHBondContact ND1-OG 3.35Å; V138-S170 PolarHBondContact N-O 3.33Å; S170-M189 CarbonylContact C-O 3.57Å; S170-M189 WeakPolarHBondContact CA-O 3.32Å; S170-M189 WeakPolarHBondContact CB-O 3.41Å
171I98.6Very high97.5Very high0 Ų025.8 Ų25.80%011%0.109CC..EExtended strand (participates in β ladder)trans-139.8129.4178.7-57.4174000108.5V138 C140 D162 F163 V168 M189V138-I171 HydrophobicContact CB-CG1 4.34Å; V138-I171 WeakPolarHBondContact O-CA 3.07Å; C140-I171 HydrophobicContact CB-CG2 3.78Å; D162-I171 HydrophobicContact CB-CD1 3.82Å; F163-I171 HydrophobicContact CD1-CD1 4.17Å; F163-I171 HydrophobicContact CD1-CG1 4.46Å; F163-I171 HydrophobicContact CD2-CD1 3.92Å; F163-I171 HydrophobicContact CE1-CD1 4.05Å; F163-I171 HydrophobicContact CE1-CG1 3.93Å; F163-I171 HydrophobicContact CE2-CD1 3.78Å; F163-I171 HydrophobicContact CE2-CG1 4.2Å; F163-I171 HydrophobicContact CG-CD1 4.09Å; F163-I171 HydrophobicContact CZ-CB 4.18Å; F163-I171 HydrophobicContact CZ-CD1 3.85Å; F163-I171 HydrophobicContact CZ-CG1 3.78Å; V168-I171 HydrophobicContact CG1-CD1 4.21Å; V168-I171 HydrophobicContact CG1-CG1 3.88Å; I171-M189 HydrophobicContact CB-CE 4.1Å; I171-M189 HydrophobicContact CG2-CE 3.96Å; I171-M189 PolarHBondContact N-O 2.99Å; I171-M189 PolarHBondContact O-N 3.36Å
172S98.7Very high97.5Very high0 Ų028.3 Ų28.30%013%0.131CC..EExtended strand (participates in β ladder)trans-97145.3168.156.10000110.6H137 V138 D139 C140 C141 V187H137-S172 PolarHBondContact CE1-N 3.3Å; H137-S172 PolarHBondContact NE2-OG 2.64Å; V138-S172 PolarHBondContact O-N 3.5Å; D139-S172 PolarHBondContact OD1-OG 2.93Å; C140-S172 CarbonylContact C-O 3.52Å; C140-S172 WeakPolarHBondContact CA-O 3.48Å; C140-S172 WeakPolarHBondContact CB-O 3.32Å; C140-S172 PolarHBondContact N-O 3.41Å; C141-S172 PolarHBondContact N-O 3.04Å; C141-S172 VanDerWaalsContact SG-CB 3.51Å; C141-S172 PolarHBondContact SG-OG 2.88Å; S172-V187 CarbonylContact C-O 3.55Å; S172-V187 WeakPolarHBondContact CA-O 3.13Å
173C98.3Very high97.6Very high2 Ų235.2 Ų35.21%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-152.7119.3-175.6-177.90000111.8F145 T175 S186 V187 M189F145-C173 WeakPolarHBondContact CD2-SG 3.45Å; F145-C173 WeakPolarHBondContact CE2-SG 3.39Å; C173-T175 PolarHBondContact O-N 2.99Å; C173-S186 PolarHBondContact O-OG 3.43Å; C173-S186 VanDerWaalsContact O-OG 3.04Å; C173-V187 PolarHBondContact N-O 3.2Å; C173-V187 PolarHBondContact O-N 3.43Å; C173-M189 HydrophobicContact CB-CE 3.91Å
174D98.7Very high97.5Very high4 Ų436.4 Ų36.42%0.02118%0.175CC..  trans-86.6109.3-177.6-64.4-18.4000111.7G18 C141 H176 K177 S186G18-D174 WeakPolarHBondContact CA-OD1 3.48Å; G18-D174 PolarHBondContact N-OD1 2.93Å; C141-D174 WeakPolarHBondContact CB-OD2 3.26Å; C141-D174 VanDerWaalsContact O-CB 3.27Å; C141-D174 WeakPolarHBondContact O-CB 3.33Å; C141-D174 PolarHBondContact O-N 2.66Å; D174-H176 PolarHBondContact O-N 2.63Å; D174-H176 IonicContact OD2-NE2 2.77Å; D174-K177 HydrophobicContact CB-CB 4.03Å; D174-K177 HydrophobicContact CB-CD 3.88Å; D174-K177 HydrophobicContact CB-CG 3.72Å; D174-K177 PolarHBondContact O-N 3.28Å; D174-K177 WeakPolarHBondContact OD2-CD 3.09Å; D174-K177 WeakPolarHBondContact OD2-CE 3.47Å; D174-K177 IonicContact OD2-NZ 3.99Å; D174-K177 PolarHBondContact OD2-NZ 2.9Å; D174-S186 WeakPolarHBondContact OD1-CB 3.38Å; D174-S186 PolarHBondContact OD1-OG 3.44Å
175T98.4Very high97.7Very high4 Ų429.8 Ų29.83%0.02515%0.15CC..THydrogen-bonded Turntrans-63.7-29.2169430000112F145 C173 K177 G179 Y180 A181 T185 V187 C228F145-T175 HydrophobicContact CE2-CG2 3.59Å; F145-T175 HydrophobicContact CZ-CG2 3.7Å; C173-T175 PolarHBondContact O-N 2.99Å; T175-K177 VanDerWaalsContact C-N 3.25Å; T175-K177 PolarHBondContact O-N 3.04Å; T175-G179 CarbonylContact O-C 3.59Å; T175-G179 WeakPolarHBondContact O-CA 3.49Å; T175-G179 PolarHBondContact O-N 3.49Å; T175-Y180 PolarHBondContact O-N 2.93Å; T175-A181 WeakPolarHBondContact O-CB 3.47Å; T175-A181 PolarHBondContact O-N 3.47Å; T175-T185 WeakPolarHBondContact OG1-CB 3.41Å; T175-T185 PolarHBondContact OG1-O 2.79Å; T175-T185 VanDerWaalsContact OG1-O 3.08Å; T175-T185 PolarHBondContact OG1-OG1 3.08Å; T175-V187 HydrophobicContact CG2-CG2 4.04Å; T175-C228 WeakPolarHBondContact CB-SG 3.49Å
176H97.9Very high97.7Very high30 Ų3029 Ų2914%0.13915%0.146CC..THydrogen-bonded Turntrans-81.86.2178.772.1-146.4000115.6D174 A181 A182 K183 T185D174-H176 PolarHBondContact O-N 2.63Å; D174-H176 IonicContact OD2-NE2 2.77Å; H176-A181 WeakPolarHBondContact CA-O 3.48Å; H176-A182 VanDerWaalsContact CB-O 3.27Å; H176-A182 WeakPolarHBondContact CB-O 3.17Å; H176-K183 HydrophobicContact CB-CD 4.21Å; H176-K183 PolarHBondContact O-NZ 3.37Å; H176-K183 VanDerWaalsContact O-NZ 3.14Å; H176-T185 WeakPolarHBondContact CB-O 3.45Å; H176-T185 PolarHBondContact N-O 3.26Å; H176-T185 PolarHBondContact ND1-O 3.01Å
177K98.3Very high97.8Very high64 Ų6421.8 Ų21.828%0.27812%0.121SC..THydrogen-bonded Turntrans-102.9-112.8171.8-69.3-174.9179.51470108.9C141 L142 D174 T175 G179 Y180C141-K177 WeakPolarHBondContact O-CD 3.44Å; L142-K177 HydrophobicContact CD1-CD 4.07Å; D174-K177 HydrophobicContact CB-CB 4.03Å; D174-K177 HydrophobicContact CB-CD 3.88Å; D174-K177 HydrophobicContact CB-CG 3.72Å; D174-K177 PolarHBondContact O-N 3.28Å; D174-K177 WeakPolarHBondContact OD2-CD 3.09Å; D174-K177 WeakPolarHBondContact OD2-CE 3.47Å; D174-K177 IonicContact OD2-NZ 3.99Å; D174-K177 PolarHBondContact OD2-NZ 2.9Å; T175-K177 VanDerWaalsContact C-N 3.25Å; T175-K177 PolarHBondContact O-N 3.04Å; K177-G179 PolarHBondContact O-N 3.47Å; K177-Y180 PolarHBondContact O-N 3.45Å
178Y98.5Very high97.9Very high8 Ų821.5 Ų21.53%0.03112%0.118CC..THydrogen-bonded Turntrans-74.8-1.2177.6-58.4-73.6000113.7L142 F145 L146 Y180 Y240 I247 S273 C310 V311L142-Y178 HydrophobicContact CD1-CE2 3.74Å; L142-Y178 HydrophobicContact CG-CE2 4.43Å; L142-Y178 WeakPolarHBondContact O-CD2 3.47Å; L142-Y178 VanDerWaalsContact O-CE2 3.31Å; L142-Y178 WeakPolarHBondContact O-CE2 3.49Å; F145-Y178 WeakPolarHBondContact CB-O 3.5Å; L146-Y178 HydrophobicContact CD1-CD1 4.16Å; L146-Y178 HydrophobicContact CD1-CD2 3.66Å; L146-Y178 HydrophobicContact CD1-CE1 4.13Å; L146-Y178 HydrophobicContact CD1-CE2 3.62Å; L146-Y178 HydrophobicContact CD1-CG 3.94Å; L146-Y178 HydrophobicContact CD2-CD1 3.99Å; L146-Y178 HydrophobicContact CD2-CD2 4.48Å; L146-Y178 HydrophobicContact CD2-CG 3.96Å; L146-Y178 HydrophobicContact CG-CD1 4.15Å; L146-Y178 HydrophobicContact CG-CD2 3.77Å; L146-Y178 HydrophobicContact CG-CE2 4.26Å; L146-Y178 HydrophobicContact CG-CG 3.71Å; Y178-Y180 HydrophobicContact CD1-CE1 4.43Å; Y178-Y180 VanDerWaalsContact O-CD2 3.22Å; Y178-Y180 WeakPolarHBondContact O-CD2 3.3Å; Y178-Y180 WeakPolarHBondContact O-CE2 3.34Å; Y178-Y180 VanDerWaalsContact O-CZ 3.32Å; Y178-Y240 WeakPolarHBondContact O-CE1 3.19Å; Y178-I247 HydrophobicContact CD1-CD1 3.7Å; Y178-I247 HydrophobicContact CE1-CD1 3.84Å; Y178-I247 HydrophobicContact CE1-CG2 4.46Å; Y178-S273 VanDerWaalsContact CZ-OG 3.26Å; Y178-S273 WeakPolarHBondContact OH-CB 3.4Å; Y178-S273 PolarHBondContact OH-OG 2.9Å; Y178-C310 PolarHBondContact OH-SG 3.34Å; Y178-V311 WeakPolarHBondContact CE1-O 3.4Å; Y178-V311 PolarHBondContact OH-O 2.91Å
179G98.1Very high98Very high0 Ų021.7 Ų21.70%012%0.119CC..THydrogen-bonded Turntrans-73.3-14.1163.100000112.8F145 T175 K177 A181 T231 Y240F145-G179 VanDerWaalsContact CG-CA 3.45Å; T175-G179 CarbonylContact O-C 3.59Å; T175-G179 WeakPolarHBondContact O-CA 3.49Å; T175-G179 PolarHBondContact O-N 3.49Å; K177-G179 PolarHBondContact O-N 3.47Å; G179-A181 PolarHBondContact O-N 3.17Å; G179-T231 WeakPolarHBondContact O-CG2 3.3Å; G179-Y240 PolarHBondContact O-OH 3.12Å
180Y98.2Very high98Very high54 Ų5421.2 Ų21.221%0.21212%0.116CC..  trans63.58.9179.4-46.7-66.6000115.3T175 K177 Y178 F235 Y240 A243 I247 L313T175-Y180 PolarHBondContact O-N 2.93Å; K177-Y180 PolarHBondContact O-N 3.45Å; Y178-Y180 HydrophobicContact CD1-CE1 4.43Å; Y178-Y180 VanDerWaalsContact O-CD2 3.22Å; Y178-Y180 WeakPolarHBondContact O-CD2 3.3Å; Y178-Y180 WeakPolarHBondContact O-CE2 3.34Å; Y178-Y180 VanDerWaalsContact O-CZ 3.32Å; Y180-F235 HydrophobicContact CD1-CZ 4.46Å; Y180-F235 AromaticContact CD2-CD1 3.73Å; Y180-F235 HydrophobicContact CD2-CD1 3.73Å; Y180-F235 HydrophobicContact CD2-CD2 4.1Å; Y180-F235 AromaticContact CD2-CE1 3.27Å; Y180-F235 HydrophobicContact CD2-CE1 3.27Å; Y180-F235 AromaticContact CD2-CE2 3.67Å; Y180-F235 HydrophobicContact CD2-CE2 3.67Å; Y180-F235 HydrophobicContact CD2-CG 4.13Å; Y180-F235 AromaticContact CD2-CZ 3.24Å; Y180-F235 HydrophobicContact CD2-CZ 3.24Å; Y180-F235 AromaticContact CE2-CD1 3.91Å; Y180-F235 HydrophobicContact CE2-CD1 3.91Å; Y180-F235 AromaticContact CE2-CE1 3.45Å; Y180-F235 HydrophobicContact CE2-CE1 3.45Å; Y180-F235 VanDerWaalsContact CE2-CE1 3.45Å; Y180-F235 AromaticContact CE2-CZ 3.88Å; Y180-F235 HydrophobicContact CE2-CZ 3.88Å; Y180-F235 HydrophobicContact CG-CE1 4.08Å; Y180-F235 AromaticContact CG-CE2 3.95Å; Y180-F235 HydrophobicContact CG-CE2 3.95Å; Y180-F235 AromaticContact CG-CZ 3.6Å; Y180-F235 HydrophobicContact CG-CZ 3.6Å; Y180-Y240 HydrophobicContact CD2-CD1 4.19Å; Y180-Y240 AromaticContact CD2-CE1 3.6Å; Y180-Y240 HydrophobicContact CD2-CE1 3.6Å; Y180-Y240 AromaticContact CE2-CD1 3.85Å; Y180-Y240 HydrophobicContact CE2-CD1 3.85Å; Y180-Y240 AromaticContact CE2-CE1 3.74Å; Y180-Y240 HydrophobicContact CE2-CE1 3.74Å; Y180-A243 HydrophobicContact CE2-CB 3.99Å; Y180-A243 VanDerWaalsContact OH-CB 3.29Å; Y180-A243 WeakPolarHBondContact OH-CB 3.15Å; Y180-I247 VanDerWaalsContact OH-CD1 3.32Å; Y180-I247 WeakPolarHBondContact OH-CD1 3.43Å; Y180-L313 HydrophobicContact CD1-CD1 4.16Å; Y180-L313 HydrophobicContact CE1-CD1 3.63Å; Y180-L313 HydrophobicContact CE1-CG 3.99Å; Y180-L313 HydrophobicContact CE2-CD1 4.39Å
181A97.5Very high97.8Very high8 Ų824.4 Ų24.47%0.06613%0.13CC..PPolyproline II helixtrans-67.4159.5174.500000111.1T175 H176 G179 C228T175-A181 WeakPolarHBondContact O-CB 3.47Å; T175-A181 PolarHBondContact O-N 3.47Å; H176-A181 WeakPolarHBondContact CA-O 3.48Å; G179-A181 PolarHBondContact O-N 3.17Å; A181-C228 HydrophobicContact CB-CB 3.72Å
182A96.4Very high97.5Very high58 Ų5826.1 Ų26.148%0.47914%0.142SC..PPolyproline II helixtrans-56.8151.8170.100000111.6H176H176-A182 VanDerWaalsContact CB-O 3.27Å; H176-A182 WeakPolarHBondContact CB-O 3.17Å
183K97.2Very high97.2Very high151 Ų15133 Ų3366%0.65717%0.168SC*.SBendtrans-55145.5174.1-65.2-58.7-177.2-168.50110.6H176 V224H176-K183 HydrophobicContact CB-CD 4.21Å; H176-K183 PolarHBondContact O-NZ 3.37Å; H176-K183 VanDerWaalsContact O-NZ 3.14Å; K183-V224 WeakPolarHBondContact O-CG1 3.3Å
184G96Very high96.9Very high34 Ų3437.8 Ų37.835%0.35119%0.19SC..SBendtrans102.211.3-177.300000115.5S16S16-G184 WeakPolarHBondContact CA-O 3.42Å; S16-G184 CarbonylContact O-C 3.41Å; S16-G184 WeakPolarHBondContact O-CA 3.49Å
185T98Very high96.7Very high0 Ų039.4 Ų39.40%020%0.196CC..  trans-129.8138.4170.358.40000114.2T15 S16 T175 H176 V224 C228T15-T185 CarbonylContact O-C 3.57Å; T15-T185 WeakPolarHBondContact O-CA 3.44Å; S16-T185 PolarHBondContact O-N 3.01Å; T175-T185 WeakPolarHBondContact OG1-CB 3.41Å; T175-T185 PolarHBondContact OG1-O 2.79Å; T175-T185 VanDerWaalsContact OG1-O 3.08Å; T175-T185 PolarHBondContact OG1-OG1 3.08Å; H176-T185 WeakPolarHBondContact CB-O 3.45Å; H176-T185 PolarHBondContact N-O 3.26Å; H176-T185 PolarHBondContact ND1-O 3.01Å; T185-V224 HydrophobicContact CG2-CG1 3.51Å; T185-C228 HydrophobicContact CG2-CB 3.78Å
186S98.6Very high96.5Very high0 Ų039.7 Ų39.70%020%0.197CC..EExtended strand (participates in β ladder)trans-147.3177.4163.8178.40000108.7V14 T15 G17 S21 C173 D174V14-S186 WeakPolarHBondContact CA-O 3.45Å; T15-S186 PolarHBondContact N-O 2.74Å; T15-S186 PolarHBondContact O-N 3.4Å; T15-S186 VanDerWaalsContact OG1-CB 3.27Å; T15-S186 WeakPolarHBondContact OG1-CB 3.46Å; T15-S186 PolarHBondContact OG1-O 3.22Å; G17-S186 VanDerWaalsContact CA-CB 3.43Å; S21-S186 PolarHBondContact OG-OG 2.81Å; C173-S186 PolarHBondContact O-OG 3.43Å; C173-S186 VanDerWaalsContact O-OG 3.04Å; D174-S186 WeakPolarHBondContact OD1-CB 3.38Å; D174-S186 PolarHBondContact OD1-OG 3.44Å
187V98.3Very high96.4Very high23 Ų2345.7 Ų45.714%0.13922%0.218CC..EExtended strand (participates in β ladder)trans-134.2132.5178.2-1730000109.4R12 A13 S172 C173 T175 M189R12-V187 HydrophobicContact CB-CG1 4.15Å; A13-V187 WeakPolarHBondContact O-CA 3.42Å; S172-V187 CarbonylContact C-O 3.55Å; S172-V187 WeakPolarHBondContact CA-O 3.13Å; C173-V187 PolarHBondContact N-O 3.2Å; C173-V187 PolarHBondContact O-N 3.43Å; T175-V187 HydrophobicContact CG2-CG2 4.04Å; V187-M189 HydrophobicContact CG1-CG 3.62Å; V187-M189 HydrophobicContact CG1-SD 4.15Å
188I98.3Very high96.2Very high0 Ų044.8 Ų44.80%022%0.215CC..EExtended strand (participates in β ladder)trans-104.1135.2163.1-177.559.4000109R12 A13 T15 L24 A25 Y190R12-I188 CarbonylContact C-O 3.57Å; R12-I188 WeakPolarHBondContact CA-O 3.29Å; A13-I188 HydrophobicContact CB-CG2 3.92Å; A13-I188 PolarHBondContact N-O 2.99Å; A13-I188 PolarHBondContact O-N 3.17Å; T15-I188 HydrophobicContact CG2-CB 4.4Å; T15-I188 HydrophobicContact CG2-CG2 3.78Å; L24-I188 HydrophobicContact CD1-CG2 4.22Å; A25-I188 HydrophobicContact CB-CD1 3.91Å; I188-Y190 HydrophobicContact CG1-CD2 4.35Å; I188-Y190 HydrophobicContact CG1-CE1 4.48Å; I188-Y190 HydrophobicContact CG1-CE2 3.56Å; I188-Y190 HydrophobicContact CG2-CE2 4.28Å
189M98Very high96.1Very high5 Ų544.5 Ų44.53%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-129.9140.3-176.4-55.4176.5-80.100109.8L2 F3 L11 R12 F163 S170 I171 C173 V187L2-M189 HydrophobicContact CD1-CE 4.3Å; F3-M189 HydrophobicContact CE1-SD 4.5Å; F3-M189 HydrophobicContact CE2-SD 4.01Å; F3-M189 HydrophobicContact CZ-CE 4.24Å; F3-M189 HydrophobicContact CZ-SD 3.43Å; F3-M189 WeakPolarHBondContact CZ-SD 3.46Å; L11-M189 CarbonylContact O-C 3.51Å; L11-M189 WeakPolarHBondContact O-CA 3.41Å; R12-M189 HydrophobicContact CB-CG 4.18Å; R12-M189 HydrophobicContact CG-CB 4.34Å; R12-M189 HydrophobicContact CG-CG 3.8Å; R12-M189 HydrophobicContact CG-SD 4.38Å; F163-M189 HydrophobicContact CE2-CB 4.03Å; F163-M189 HydrophobicContact CZ-CB 3.98Å; S170-M189 CarbonylContact C-O 3.57Å; S170-M189 WeakPolarHBondContact CA-O 3.32Å; S170-M189 WeakPolarHBondContact CB-O 3.41Å; I171-M189 HydrophobicContact CB-CE 4.1Å; I171-M189 HydrophobicContact CG2-CE 3.96Å; I171-M189 PolarHBondContact N-O 2.99Å; I171-M189 PolarHBondContact O-N 3.36Å; C173-M189 HydrophobicContact CB-CE 3.91Å; V187-M189 HydrophobicContact CG1-CG 3.62Å; V187-M189 HydrophobicContact CG1-SD 4.15Å
190Y96.8Very high96.1Very high0 Ų049.3 Ų49.30%023%0.233CC..EExtended strand (participates in β ladder)trans-123.8145.7178.9-62.6-87.9000111L11 L24 A25 A28 T169 I188 S192 M196 Q199L11-Y190 PolarHBondContact N-O 3.09Å; L11-Y190 PolarHBondContact O-N 3.46Å; L24-Y190 PolarHBondContact O-OH 3.18Å; A25-Y190 WeakPolarHBondContact CA-OH 3.4Å; A25-Y190 PolarHBondContact N-OH 3.06Å; A28-Y190 HydrophobicContact CB-CE1 4Å; T169-Y190 WeakPolarHBondContact O-CA 3.36Å; I188-Y190 HydrophobicContact CG1-CD2 4.35Å; I188-Y190 HydrophobicContact CG1-CE1 4.48Å; I188-Y190 HydrophobicContact CG1-CE2 3.56Å; I188-Y190 HydrophobicContact CG2-CE2 4.28Å; Y190-S192 PolarHBondContact O-N 2.78Å; Y190-M196 HydrophobicContact CD2-CB 3.8Å; Y190-M196 HydrophobicContact CD2-CG 3.9Å; Y190-M196 HydrophobicContact CE2-CB 4.42Å; Y190-M196 HydrophobicContact CE2-CG 4.26Å; Y190-M196 HydrophobicContact CG-CB 4.18Å; Y190-Q199 VanDerWaalsContact CE2-OE1 3.23Å; Y190-Q199 PolarHBondContact OH-OE1 3.44Å
191K94.7Very high96.1Very high67 Ų6751.9 Ų51.929%0.29125%0.246SC..SBendtrans-66-24.8176.5-173164.3178.8168.60113.1F163 R166 V168 T169F163-K191 HydrophobicContact CD1-CB 3.97Å; F163-K191 HydrophobicContact CD1-CD 4.47Å; F163-K191 HydrophobicContact CD1-CG 4.41Å; F163-K191 HydrophobicContact CE1-CB 3.97Å; R166-K191 PolarHBondContact O-NZ 2.69Å; V168-K191 WeakPolarHBondContact O-CD 3.44Å; T169-K191 PolarHBondContact O-N 3.22Å
192S92.2Very high96Very high36 Ų3655.5 Ų55.525%0.25227%0.27SS..SBendtrans-150158.1-178.877.60000113.4Y190 H194 Y195 M196Y190-S192 PolarHBondContact O-N 2.78Å; S192-H194 PolarHBondContact O-N 3.39Å; S192-H194 PolarHBondContact OG-N 3.27Å; S192-Y195 PolarHBondContact O-N 3.35Å; S192-Y195 VanDerWaalsContact OG-CD2 3.24Å; S192-Y195 WeakPolarHBondContact OG-CD2 3.46Å; S192-M196 PolarHBondContact O-N 2.9Å
193R92.8Very high96.1Very high145 Ų14556.7 Ų56.755%0.54727%0.266SS..Hα-helixtrans-59.8-30173-162.6173.1-73.3161.1-3113.8L11 Y195 M196 R197L11-R193 HydrophobicContact CD1-CB 3.48Å; L11-R193 VanDerWaalsContact CD1-CB 3.48Å; L11-R193 HydrophobicContact CD1-CG 3.68Å; R193-Y195 VanDerWaalsContact C-N 3.3Å; R193-Y195 PolarHBondContact O-N 3.22Å; R193-M196 PolarHBondContact O-N 3.29Å; R193-R197 HydrophobicContact CG-CG 4.07Å; R193-R197 WeakPolarHBondContact O-CB 3.31Å; R193-R197 WeakPolarHBondContact O-CG 3.29Å; R193-R197 PolarHBondContact O-N 3.02Å
194H91.7Very high96.1Very high103 Ų10353 Ų5348%0.47726%0.257SS..Hα-helixtrans-57.8-44.5177174.474.8000111.1S192 Q198S192-H194 PolarHBondContact O-N 3.39Å; S192-H194 PolarHBondContact OG-N 3.27Å; H194-Q198 WeakPolarHBondContact O-CG 3.45Å
195Y94Very high96.2Very high38 Ų3858 Ų5815%0.14928%0.276CS..Hα-helixtrans-73.6-46.9177.3-61.3-61.1000112.3Y29 P135 T169 S192 R193 R197 Q198Y29-Y195 HydrophobicContact CD1-CD1 4.09Å; Y29-Y195 HydrophobicContact CD1-CE1 4.48Å; Y29-Y195 AromaticContact CE1-CD1 3.71Å; Y29-Y195 HydrophobicContact CE1-CD1 3.71Å; Y29-Y195 HydrophobicContact CE1-CE1 4.13Å; Y29-Y195 HydrophobicContact CE1-CG 4.19Å; P135-Y195 HydrophobicContact CB-CE1 4.22Å; P135-Y195 HydrophobicContact CG-CE1 3.81Å; T169-Y195 HydrophobicContact CG2-CE2 3.74Å; S192-Y195 PolarHBondContact O-N 3.35Å; S192-Y195 VanDerWaalsContact OG-CD2 3.24Å; S192-Y195 WeakPolarHBondContact OG-CD2 3.46Å; R193-Y195 VanDerWaalsContact C-N 3.3Å; R193-Y195 PolarHBondContact O-N 3.22Å; Y195-R197 VanDerWaalsContact C-N 3.3Å; Y195-R197 PolarHBondContact O-N 3.18Å; Y195-Q198 WeakPolarHBondContact O-CB 3.47Å; Y195-Q198 PolarHBondContact O-N 3.08Å
196M94.6Very high96.2Very high9 Ų964.5 Ų64.54%0.04430%0.301CS..Hα-helixtrans-60.2-39.3-176.2-169.1-169.2-168.800112.5L11 R12 A13 Y190 S192 R193 Q198 Q199 Y200L11-M196 HydrophobicContact CB-CB 4.35Å; L11-M196 HydrophobicContact CB-CE 4.27Å; L11-M196 HydrophobicContact CB-CG 4.34Å; L11-M196 HydrophobicContact CB-SD 3.2Å; L11-M196 WeakPolarHBondContact CB-SD 3.46Å; L11-M196 HydrophobicContact CD1-CB 4.06Å; L11-M196 HydrophobicContact CD1-SD 3.74Å; L11-M196 HydrophobicContact CD2-SD 4.45Å; L11-M196 HydrophobicContact CG-SD 3.99Å; R12-M196 VanDerWaalsContact O-CE 3.29Å; R12-M196 WeakPolarHBondContact O-CE 2.98Å; A13-M196 HydrophobicContact CB-CE 4.17Å; Y190-M196 HydrophobicContact CD2-CB 3.8Å; Y190-M196 HydrophobicContact CD2-CG 3.9Å; Y190-M196 HydrophobicContact CE2-CB 4.42Å; Y190-M196 HydrophobicContact CE2-CG 4.26Å; Y190-M196 HydrophobicContact CG-CB 4.18Å; S192-M196 PolarHBondContact O-N 2.9Å; R193-M196 PolarHBondContact O-N 3.29Å; M196-Q198 PolarHBondContact O-N 3.49Å; M196-Q198 VanDerWaalsContact O-N 3.13Å; M196-Q199 WeakPolarHBondContact O-CG 3.44Å; M196-Q199 PolarHBondContact O-N 3.43Å; M196-Y200 HydrophobicContact CE-CE1 3.9Å; M196-Y200 WeakPolarHBondContact CE-OH 3.22Å; M196-Y200 HydrophobicContact CG-CE1 3.89Å; M196-Y200 HydrophobicContact SD-CE1 4.19Å; M196-Y200 PolarHBondContact SD-OH 3.41Å
197R95.2Very high96.1Very high156 Ų15670.9 Ų70.959%0.58934%0.342SS*.G310 helixtrans-61.1-23.1178.4-80179.9169.5165.5-4.5113.6R193 Y195 Q199 Y200R193-R197 HydrophobicContact CG-CG 4.07Å; R193-R197 WeakPolarHBondContact O-CB 3.31Å; R193-R197 WeakPolarHBondContact O-CG 3.29Å; R193-R197 PolarHBondContact O-N 3.02Å; Y195-R197 VanDerWaalsContact C-N 3.3Å; Y195-R197 PolarHBondContact O-N 3.18Å; R197-Q199 PolarHBondContact O-N 3.33Å; R197-Y200 HydrophobicContact CB-CD2 4.5Å; R197-Y200 HydrophobicContact CG-CD2 4.23Å; R197-Y200 HydrophobicContact CG-CE2 4.07Å; R197-Y200 PolarHBondContact O-N 2.79Å
198Q95.8Very high96Very high46 Ų4672.4 Ų72.422%0.21536%0.362CS..G310 helixtrans-74.1-14.5178.2-56.5-63.2-38.800112.9A28 N31 R32 H194 Y195 M196A28-Q198 HydrophobicContact CB-CB 4Å; A28-Q198 WeakPolarHBondContact O-CB 3.09Å; N31-Q198 HydrophobicContact CB-CB 4.12Å; N31-Q198 PolarHBondContact ND2-O 2.94Å; R32-Q198 HydrophobicContact CB-CG 4.19Å; H194-Q198 WeakPolarHBondContact O-CG 3.45Å; Y195-Q198 WeakPolarHBondContact O-CB 3.47Å; Y195-Q198 PolarHBondContact O-N 3.08Å; M196-Q198 PolarHBondContact O-N 3.49Å; M196-Q198 VanDerWaalsContact O-N 3.13Å
199Q96.4Very high95.9Very high2 Ų274.1 Ų74.11%0.00938%0.38CS..G310 helixtrans-91.6-15.9176.594.6-173.7-23.700113.1L24 M27 A28 Y190 M196 R197 P214L24-Q199 HydrophobicContact CD2-CB 4.39Å; M27-Q199 HydrophobicContact CE-CB 4.25Å; M27-Q199 WeakPolarHBondContact CE-O 3.34Å; A28-Q199 HydrophobicContact CB-CB 4.05Å; Y190-Q199 VanDerWaalsContact CE2-OE1 3.23Å; Y190-Q199 PolarHBondContact OH-OE1 3.44Å; M196-Q199 WeakPolarHBondContact O-CG 3.44Å; M196-Q199 PolarHBondContact O-N 3.43Å; R197-Q199 PolarHBondContact O-N 3.33Å; Q199-P214 WeakPolarHBondContact CG-O 3.17Å; Q199-P214 PolarHBondContact NE2-O 3.1Å
200Y97Very high95.9Very high100 Ų10080.7 Ų80.739%0.39241%0.414SS..  trans-70.5147.3-176.5-62.8-18.3000111.1M196 R197 P214M196-Y200 HydrophobicContact CE-CE1 3.9Å; M196-Y200 WeakPolarHBondContact CE-OH 3.22Å; M196-Y200 HydrophobicContact CG-CE1 3.89Å; M196-Y200 HydrophobicContact SD-CE1 4.19Å; M196-Y200 PolarHBondContact SD-OH 3.41Å; R197-Y200 HydrophobicContact CB-CD2 4.5Å; R197-Y200 HydrophobicContact CG-CD2 4.23Å; R197-Y200 HydrophobicContact CG-CE2 4.07Å; R197-Y200 PolarHBondContact O-N 2.79Å; Y200-P214 HydrophobicContact CD1-CB 4.27Å; Y200-P214 HydrophobicContact CE1-CB 4.04Å
201F97.6Very high96Very high109 Ų10985 Ų8548%0.47843%0.431SS..EExtended strand (participates in β ladder)trans-108.2140.5164.7174.3-99.9000109.2Q203 Y211 A212 T213F201-Q203 HydrophobicContact CE1-CB 4.06Å; F201-Q203 HydrophobicContact CZ-CB 3.91Å; F201-Y211 HydrophobicContact CD1-CD1 4.08Å; F201-Y211 HydrophobicContact CD1-CE1 4.36Å; F201-Y211 AromaticContact CE1-CD1 3.85Å; F201-Y211 HydrophobicContact CE1-CD1 3.85Å; F201-Y211 HydrophobicContact CE1-CE1 4.32Å; F201-A212 CarbonylContact O-C 3.52Å; F201-A212 VanDerWaalsContact O-CA 3.24Å; F201-A212 WeakPolarHBondContact O-CA 3.29Å; F201-T213 PolarHBondContact N-O 3.18Å; F201-T213 PolarHBondContact O-N 3.07Å
202S97Very high96.1Very high83 Ų8385 Ų8558%0.5844%0.444SS*.EExtended strand (participates in β ladder)trans-145.4133.6172.562.20000110.6Y211S202-Y211 CarbonylContact C-O 3.46Å; S202-Y211 VanDerWaalsContact CA-O 3.32Å; S202-Y211 WeakPolarHBondContact CA-O 3.17Å
203Q97.5Very high96.4Very high83 Ų8384.1 Ų84.139%0.38844%0.437SS..EExtended strand (participates in β ladder)trans-126.496.5171177.460.9-71.500108.9F201 N205 W206 Y211F201-Q203 HydrophobicContact CE1-CB 4.06Å; F201-Q203 HydrophobicContact CZ-CB 3.91Å; Q203-N205 VanDerWaalsContact C-N 3.35Å; Q203-W206 HydrophobicContact CG-CB 3.72Å; Q203-Y211 PolarHBondContact N-O 3.01Å; Q203-Y211 PolarHBondContact O-N 3.33Å; Q203-Y211 VanDerWaalsContact O-N 3.09Å
204P97.5Very high96.6Very high73 Ų7379.4 Ų79.447%0.47443%0.425SS..THydrogen-bonded Turntrans-75.8-21.4-176.529.5-34.9000113.7
205N97.8Very high96.9Very high141 Ų14174.7 Ų74.775%0.75440%0.404SS*.THydrogen-bonded Turntrans-104.418-171.5-59.6-33.7000113.4Q203Q203-N205 VanDerWaalsContact C-N 3.35Å
206W97.9Very high97Very high136 Ų13677.5 Ų77.552%0.51542%0.417SS..  trans-75.8133.8178.3-178.954.8000110.4Q203 G208 G209 Y211Q203-W206 HydrophobicContact CG-CB 3.72Å; W206-G208 PolarHBondContact O-N 3.11Å; W206-G209 PolarHBondContact O-N 3.48Å; W206-Y211 HydrophobicContact CE3-CD2 4.26Å; W206-Y211 HydrophobicContact CE3-CG 4.49Å; W206-Y211 AromaticContact CZ3-CD2 3.95Å; W206-Y211 HydrophobicContact CZ3-CD2 3.95Å
207P97.8Very high97.1Very high133 Ų13378.8 Ų78.886%0.86443%0.429SS*.THydrogen-bonded Turntrans-58.2-20.8179.8-28.736.3000115.3G209P207-G209 PolarHBondContact O-N 2.87Å
208G96.3Very high97.2Very high55 Ų5573 Ų7357%0.56742%0.418SS*.THydrogen-bonded Turntrans-79.94.9173.400000114.8W206W206-G208 PolarHBondContact O-N 3.11Å
209G96.1Very high97.2Very high36 Ų3676.9 Ų76.937%0.37145%0.45SS..  trans102.7178-176.700000113.2W206 P207 Y211W206-G209 PolarHBondContact O-N 3.48Å; P207-G209 PolarHBondContact O-N 2.87Å; G209-Y211 PolarHBondContact O-N 3.46Å; G209-Y211 VanDerWaalsContact O-N 3.15Å
210I97.8Very high97.2Very high144 Ų14483.2 Ų83.274%0.73847%0.474SS*.  trans-63.7117.7178.2-60.4172000109
211Y98.3Very high97.1Very high89 Ų8982 Ų8235%0.34948%0.48SS..EExtended strand (participates in β ladder)trans-107.7130.7178.4-167.2-90.3000110.9F201 S202 Q203 W206 G209 T213 G218F201-Y211 HydrophobicContact CD1-CD1 4.08Å; F201-Y211 HydrophobicContact CD1-CE1 4.36Å; F201-Y211 AromaticContact CE1-CD1 3.85Å; F201-Y211 HydrophobicContact CE1-CD1 3.85Å; F201-Y211 HydrophobicContact CE1-CE1 4.32Å; S202-Y211 CarbonylContact C-O 3.46Å; S202-Y211 VanDerWaalsContact CA-O 3.32Å; S202-Y211 WeakPolarHBondContact CA-O 3.17Å; Q203-Y211 PolarHBondContact N-O 3.01Å; Q203-Y211 PolarHBondContact O-N 3.33Å; Q203-Y211 VanDerWaalsContact O-N 3.09Å; W206-Y211 HydrophobicContact CE3-CD2 4.26Å; W206-Y211 HydrophobicContact CE3-CG 4.49Å; W206-Y211 AromaticContact CZ3-CD2 3.95Å; W206-Y211 HydrophobicContact CZ3-CD2 3.95Å; G209-Y211 PolarHBondContact O-N 3.46Å; G209-Y211 VanDerWaalsContact O-N 3.15Å; Y211-T213 HydrophobicContact CD1-CG2 4.31Å; Y211-T213 HydrophobicContact CE1-CG2 3.45Å; Y211-T213 VanDerWaalsContact CE1-CG2 3.45Å; Y211-G218 VanDerWaalsContact OH-CA 3.27Å; Y211-G218 WeakPolarHBondContact OH-CA 3.41Å
212A97.8Very high97Very high69 Ų6979.1 Ų79.157%0.5748%0.481SS*.EExtended strand (participates in β ladder)trans-146.7139.8176.200000111.9F201F201-A212 CarbonylContact O-C 3.52Å; F201-A212 VanDerWaalsContact O-CA 3.24Å; F201-A212 WeakPolarHBondContact O-CA 3.29Å
213T97.5Very high97Very high17 Ų1778.8 Ų78.810%0.10448%0.484CS..EExtended strand (participates in β ladder)trans-133.4142.3177.461.90000111.8F201 Y211 T215F201-T213 PolarHBondContact N-O 3.18Å; F201-T213 PolarHBondContact O-N 3.07Å; Y211-T213 HydrophobicContact CD1-CG2 4.31Å; Y211-T213 HydrophobicContact CE1-CG2 3.45Å; Y211-T213 VanDerWaalsContact CE1-CG2 3.45Å; T213-T215 WeakPolarHBondContact CB-O 3.46Å; T213-T215 PolarHBondContact OG1-O 3.14Å
214P96.5Very high96.9Very high46 Ų4676.7 Ų76.730%0.29948%0.476SS..SBendtrans-85.6-13.3176.334.2-35.4000113.6Q199 Y200Q199-P214 WeakPolarHBondContact CG-O 3.17Å; Q199-P214 PolarHBondContact NE2-O 3.1Å; Y200-P214 HydrophobicContact CD1-CB 4.27Å; Y200-P214 HydrophobicContact CE1-CB 4.04Å
215T97.7Very high96.9Very high4 Ų476 Ų763%0.02547%0.471CS..SBendtrans-139.3-178.5-174.557.30000109.5A13 T15 E20 L24 T213A13-T215 HydrophobicContact CB-CG2 4.1Å; T15-T215 HydrophobicContact CG2-CG2 4.29Å; E20-T215 WeakPolarHBondContact OE1-CB 3.45Å; L24-T215 HydrophobicContact CD1-CG2 3.81Å; T213-T215 WeakPolarHBondContact CB-O 3.46Å; T213-T215 PolarHBondContact OG1-O 3.14Å
216F97Very high96.9Very high97 Ų9772 Ų7243%0.42546%0.457SS..SBendtrans-67.1-38.9-179.9-70.9-67.8000112.6E20 L23 L24 M27E20-F216 HydrophobicContact CG-CD2 3.87Å; E20-F216 HydrophobicContact CG-CE2 4.41Å; E20-F216 PolarHBondContact OE1-N 2.84Å; E20-F216 VanDerWaalsContact OE1-N 3.11Å; L23-F216 HydrophobicContact CB-CE2 3.57Å; L23-F216 HydrophobicContact CB-CZ 3.92Å; L23-F216 HydrophobicContact CD2-CE2 4.22Å; L23-F216 HydrophobicContact CD2-CZ 4.39Å; L24-F216 HydrophobicContact CD2-CD2 4Å; L24-F216 HydrophobicContact CD2-CE2 3.79Å; L24-F216 HydrophobicContact CD2-CG 4.45Å; L24-F216 HydrophobicContact CD2-CZ 4.12Å; L24-F216 HydrophobicContact CG-CD2 4.13Å; L24-F216 HydrophobicContact CG-CE2 3.83Å; M27-F216 HydrophobicContact CE-CE1 4.32Å; M27-F216 HydrophobicContact SD-CE1 3.78Å; M27-F216 HydrophobicContact SD-CZ 4.13Å
217A96.9Very high96.9Very high36 Ų3667 Ų6730%0.29845%0.447SS..  trans-75.2142.6-177.900000113R220A217-R220 HydrophobicContact CB-CG 3.66Å
218G96.8Very high97Very high35 Ų3561.1 Ų61.136%0.36141%0.409SS..SBendtrans-80.1-88162.700000110.9Y211Y211-G218 VanDerWaalsContact OH-CA 3.27Å; Y211-G218 WeakPolarHBondContact OH-CA 3.41Å
219S96.8Very high97Very high127 Ų12766.6 Ų66.689%0.88841%0.413SS*.SBendtrans-64134.8170.6-630000110.9
220R95.4Very high97.2Very high134 Ų13467.2 Ų67.251%0.50642%0.415SS..  trans-137.1149.5-177.4-64.9-178.9-62.6161.34.5110.5V14 A217 G222V14-R220 PolarHBondContact O-NH1 3.29Å; A217-R220 HydrophobicContact CB-CG 3.66Å; R220-G222 PolarHBondContact O-N 2.95Å
221S94.4Very high97.2Very high74 Ų7461.8 Ų61.852%0.51739%0.389SS..  trans-74.296.1176-175.50000111.2A223 V224S221-A223 PolarHBondContact O-N 3.36Å; S221-V224 PolarHBondContact O-N 2.84Å
222G95.7Very high97.1Very high49 Ų4960.4 Ų60.451%0.50539%0.387SS..Hα-helixtrans-62.9-28.4177.300000113.5R220 V224 V225 A226R220-G222 PolarHBondContact O-N 2.95Å; G222-V224 VanDerWaalsContact C-N 3.32Å; G222-V224 PolarHBondContact O-N 3.11Å; G222-V225 PolarHBondContact O-N 2.94Å; G222-A226 PolarHBondContact O-N 3.46Å
223A97.1Very high97.1Very high77 Ų7762.1 Ų62.164%0.63639%0.386SS*.Hα-helixtrans-62.3-39.3177.200000112.2S221 V225 A226 G227S221-A223 PolarHBondContact O-N 3.36Å; A223-V225 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 2.98Å; A223-A226 PolarHBondContact O-N 3.01Å; A223-G227 PolarHBondContact O-N 3.03Å
224V96.6Very high97.2Very high38 Ų3869.9 Ų69.923%0.2342%0.418CS..Hα-helixtrans-67.5-36.3178.1172.20000110.9K183 T185 S221 G222 C228K183-V224 WeakPolarHBondContact O-CG1 3.3Å; T185-V224 HydrophobicContact CG2-CG1 3.51Å; S221-V224 PolarHBondContact O-N 2.84Å; G222-V224 VanDerWaalsContact C-N 3.32Å; G222-V224 PolarHBondContact O-N 3.11Å; V224-C228 WeakPolarHBondContact O-CB 3.27Å; V224-C228 PolarHBondContact O-N 3.26Å
225V96.9Very high97.2Very high59 Ų5970.6 Ų70.636%0.35842%0.417SS..Hα-helixtrans-67.6-43172.8-176.70000111.5V14 G222 A223 C228 W229V14-V225 HydrophobicContact CG1-CG1 4.45Å; V14-V225 HydrophobicContact CG1-CG2 4.11Å; G222-V225 PolarHBondContact O-N 2.94Å; A223-V225 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 2.98Å; V225-C228 WeakPolarHBondContact O-CB 3.29Å; V225-C228 PolarHBondContact O-N 2.99Å; V225-W229 PolarHBondContact O-N 3.26Å
226A98.1Very high97.2Very high57 Ų5771.7 Ų71.747%0.47143%0.429SS..Hα-helixtrans-63.4-42.7176.700000112G222 A223 C228 W229 A230G222-A226 PolarHBondContact O-N 3.46Å; A223-A226 PolarHBondContact O-N 3.01Å; A226-C228 VanDerWaalsContact C-N 3.34Å; A226-C228 PolarHBondContact O-N 2.75Å; A226-W229 PolarHBondContact O-N 2.82Å; A226-A230 PolarHBondContact O-N 3.11Å
227G98.3Very high97.2Very high30 Ų3069.5 Ų69.531%0.30943%0.425SS..Hα-helixtrans-63.2-38.3174.900000112.8A223 A230 T231A223-G227 PolarHBondContact O-N 3.03Å; G227-A230 PolarHBondContact O-N 3.32Å; G227-T231 WeakPolarHBondContact O-CB 3.49Å; G227-T231 PolarHBondContact O-N 2.78Å; G227-T231 PolarHBondContact O-OG1 3.32Å
228C98.1Very high97.2Very high10 Ų1076.6 Ų76.67%0.06845%0.445CS..Hα-helixtrans-58.8-51.1170.6175.40000111.2T175 A181 T185 V224 V225 A226 A230 T231 L232T175-C228 WeakPolarHBondContact CB-SG 3.49Å; A181-C228 HydrophobicContact CB-CB 3.72Å; T185-C228 HydrophobicContact CG2-CB 3.78Å; V224-C228 WeakPolarHBondContact O-CB 3.27Å; V224-C228 PolarHBondContact O-N 3.26Å; V225-C228 WeakPolarHBondContact O-CB 3.29Å; V225-C228 PolarHBondContact O-N 2.99Å; A226-C228 VanDerWaalsContact C-N 3.34Å; A226-C228 PolarHBondContact O-N 2.75Å; C228-A230 PolarHBondContact O-N 3.19Å; C228-T231 WeakPolarHBondContact O-CB 3.05Å; C228-T231 PolarHBondContact O-N 2.8Å; C228-T231 VanDerWaalsContact O-N 3.12Å; C228-L232 WeakPolarHBondContact O-CG 3.17Å; C228-L232 PolarHBondContact O-N 2.93Å
229W98.1Very high97.3Very high170 Ų17075.6 Ų75.664%0.64443%0.434SS*.Hα-helixtrans-58.6-45.5178.4-178.183.7000112.9V225 A226 T231 L232 L233V225-W229 PolarHBondContact O-N 3.26Å; A226-W229 PolarHBondContact O-N 2.82Å; W229-T231 VanDerWaalsContact C-N 3.28Å; W229-T231 PolarHBondContact O-N 3.04Å; W229-L232 PolarHBondContact O-N 3.42Å; W229-L233 HydrophobicContact CD2-CD1 3.91Å; W229-L233 HydrophobicContact CD2-CG 4.36Å; W229-L233 HydrophobicContact CE3-CD1 3.82Å; W229-L233 HydrophobicContact CH2-CD1 3.3Å; W229-L233 HydrophobicContact CZ2-CD1 3.39Å; W229-L233 HydrophobicContact CZ2-CG 4.31Å; W229-L233 HydrophobicContact CZ3-CD1 3.51Å; W229-L233 PolarHBondContact O-N 3.31Å; W229-L233 VanDerWaalsContact O-N 3.09Å
230A98.5Very high97.4Very high50 Ų5070 Ų7041%0.41339%0.394SS..Hα-helixtrans-59.5-39.6175.900000112.1A226 G227 C228 L233 K234A226-A230 PolarHBondContact O-N 3.11Å; G227-A230 PolarHBondContact O-N 3.32Å; C228-A230 PolarHBondContact O-N 3.19Å; A230-L233 PolarHBondContact O-N 3.4Å; A230-K234 WeakPolarHBondContact O-CB 3.28Å; A230-K234 PolarHBondContact O-N 3.01Å
231T98.2Very high97.5Very high30 Ų3064.3 Ų64.318%0.18437%0.373CS..Hα-helixtrans-64.7-46.2176.8-55.60000111.7G179 G227 C228 W229 L233 K234 F235G179-T231 WeakPolarHBondContact O-CG2 3.3Å; G227-T231 WeakPolarHBondContact O-CB 3.49Å; G227-T231 PolarHBondContact O-N 2.78Å; G227-T231 PolarHBondContact O-OG1 3.32Å; C228-T231 WeakPolarHBondContact O-CB 3.05Å; C228-T231 PolarHBondContact O-N 2.8Å; C228-T231 VanDerWaalsContact O-N 3.12Å; W229-T231 VanDerWaalsContact C-N 3.28Å; W229-T231 PolarHBondContact O-N 3.04Å; T231-L233 VanDerWaalsContact C-N 3.27Å; T231-L233 PolarHBondContact O-N 2.77Å; T231-K234 PolarHBondContact O-N 3.03Å; T231-K234 VanDerWaalsContact O-N 3.16Å; T231-F235 HydrophobicContact CG2-CD2 3.88Å; T231-F235 HydrophobicContact CG2-CE2 4.04Å; T231-F235 PolarHBondContact O-N 2.87Å
232L97.9Very high97.7Very high59 Ų5964.7 Ų64.731%0.30937%0.367SS..Hα-helixtrans-56.7-43.6177.6-65.5177.7000111.3F145 C228 W229 G236 Y240F145-L232 HydrophobicContact CE1-CD2 3.5Å; F145-L232 VanDerWaalsContact CE1-CD2 3.5Å; F145-L232 HydrophobicContact CZ-CD2 3.63Å; C228-L232 WeakPolarHBondContact O-CG 3.17Å; C228-L232 PolarHBondContact O-N 2.93Å; W229-L232 PolarHBondContact O-N 3.42Å; L232-G236 PolarHBondContact O-N 3.26Å; L232-Y240 HydrophobicContact CD2-CE2 4.35Å; L232-Y240 VanDerWaalsContact CD2-OH 3.29Å; L232-Y240 WeakPolarHBondContact CD2-OH 3.33Å
233L97.9Very high97.9Very high105 Ų10562.7 Ų62.755%0.5535%0.345SS..Hα-helixtrans-67.3-42.1176.7-69.7-175000112.6W229 A230 T231 G236W229-L233 HydrophobicContact CD2-CD1 3.91Å; W229-L233 HydrophobicContact CD2-CG 4.36Å; W229-L233 HydrophobicContact CE3-CD1 3.82Å; W229-L233 HydrophobicContact CH2-CD1 3.3Å; W229-L233 HydrophobicContact CZ2-CD1 3.39Å; W229-L233 HydrophobicContact CZ2-CG 4.31Å; W229-L233 HydrophobicContact CZ3-CD1 3.51Å; W229-L233 PolarHBondContact O-N 3.31Å; W229-L233 VanDerWaalsContact O-N 3.09Å; A230-L233 PolarHBondContact O-N 3.4Å; T231-L233 VanDerWaalsContact C-N 3.27Å; T231-L233 PolarHBondContact O-N 2.77Å; L233-G236 PolarHBondContact O-N 2.69Å
234K97.9Very high98Very high181 Ų18159 Ų5979%0.78732%0.315SS*.Hα-helixtrans-63-43.8-178.7177.560178.7-178.90112.3A230 T231A230-K234 WeakPolarHBondContact O-CB 3.28Å; A230-K234 PolarHBondContact O-N 3.01Å; T231-K234 PolarHBondContact O-N 3.03Å; T231-K234 VanDerWaalsContact O-N 3.16Å
235F97.6Very high98.1Very high60 Ų6061.3 Ų61.326%0.26332%0.32SS..Hα-helixtrans-71.2-48.3176.1-88.2-99.1000111.1Y180 T231 G239 Y240 A243 L313Y180-F235 HydrophobicContact CD1-CZ 4.46Å; Y180-F235 AromaticContact CD2-CD1 3.73Å; Y180-F235 HydrophobicContact CD2-CD1 3.73Å; Y180-F235 HydrophobicContact CD2-CD2 4.1Å; Y180-F235 AromaticContact CD2-CE1 3.27Å; Y180-F235 HydrophobicContact CD2-CE1 3.27Å; Y180-F235 AromaticContact CD2-CE2 3.67Å; Y180-F235 HydrophobicContact CD2-CE2 3.67Å; Y180-F235 HydrophobicContact CD2-CG 4.13Å; Y180-F235 AromaticContact CD2-CZ 3.24Å; Y180-F235 HydrophobicContact CD2-CZ 3.24Å; Y180-F235 AromaticContact CE2-CD1 3.91Å; Y180-F235 HydrophobicContact CE2-CD1 3.91Å; Y180-F235 AromaticContact CE2-CE1 3.45Å; Y180-F235 HydrophobicContact CE2-CE1 3.45Å; Y180-F235 VanDerWaalsContact CE2-CE1 3.45Å; Y180-F235 AromaticContact CE2-CZ 3.88Å; Y180-F235 HydrophobicContact CE2-CZ 3.88Å; Y180-F235 HydrophobicContact CG-CE1 4.08Å; Y180-F235 AromaticContact CG-CE2 3.95Å; Y180-F235 HydrophobicContact CG-CE2 3.95Å; Y180-F235 AromaticContact CG-CZ 3.6Å; Y180-F235 HydrophobicContact CG-CZ 3.6Å; T231-F235 HydrophobicContact CG2-CD2 3.88Å; T231-F235 HydrophobicContact CG2-CE2 4.04Å; T231-F235 PolarHBondContact O-N 2.87Å; F235-G239 VanDerWaalsContact O-CA 3.29Å; F235-G239 WeakPolarHBondContact O-CA 3.48Å; F235-G239 PolarHBondContact O-N 3.25Å; F235-Y240 HydrophobicContact CB-CD1 4.43Å; F235-Y240 HydrophobicContact CB-CD2 3.98Å; F235-Y240 HydrophobicContact CB-CE1 4.1Å; F235-Y240 HydrophobicContact CB-CE2 3.6Å; F235-Y240 HydrophobicContact CB-CG 4.33Å; F235-Y240 HydrophobicContact CD1-CD1 4.29Å; F235-Y240 HydrophobicContact CD1-CE1 4.22Å; F235-Y240 HydrophobicContact CG-CE1 4.12Å; F235-Y240 HydrophobicContact CG-CE2 4.48Å; F235-A243 HydrophobicContact CE1-CB 4.46Å; F235-L313 HydrophobicContact CE1-CD1 4.44Å; F235-L313 HydrophobicContact CZ-CD1 4.48Å
236G97.3Very high98.1Very high28 Ų2861 Ų6129%0.28932%0.32SS..Hα-helixtrans56.3-175.6-171.900000112.7L232 L233 R238 Y240L232-G236 PolarHBondContact O-N 3.26Å; L233-G236 PolarHBondContact O-N 2.69Å; G236-R238 VanDerWaalsContact C-N 3.27Å; G236-R238 PolarHBondContact O-N 2.92Å; G236-Y240 WeakPolarHBondContact O-CD2 3.33Å; G236-Y240 PolarHBondContact O-N 2.79Å
237S96.3Very high98.2Very high50 Ų5058.2 Ų58.235%0.3530%0.297SS..Hα-helixtrans-62.1-35.6-178.3-175.30000112.8R152 I241R152-S237 PolarHBondContact NH1-OG 3.32Å; S237-I241 WeakPolarHBondContact O-CD1 3.22Å; S237-I241 WeakPolarHBondContact O-CG1 3.47Å; S237-I241 PolarHBondContact O-N 3.16Å
238R98Very high98.2Very high186 Ų18656.9 Ų56.970%0.70228%0.283SS*.Hα-helixtrans-68.7-48.5-177.4-179.5178.4170.8178.1-1.8111.3G236 Y240 I241 E242G236-R238 VanDerWaalsContact C-N 3.27Å; G236-R238 PolarHBondContact O-N 2.92Å; R238-Y240 VanDerWaalsContact C-N 3.32Å; R238-Y240 PolarHBondContact O-N 3.09Å; R238-I241 PolarHBondContact O-N 3.34Å; R238-I241 VanDerWaalsContact O-N 3.13Å; R238-E242 HydrophobicContact CG-CG 4.48Å; R238-E242 WeakPolarHBondContact CG-OE1 2.9Å; R238-E242 IonicContact CZ-OE1 2.62Å; R238-E242 IonicContact NE-OE1 3.66Å; R238-E242 PolarHBondContact NE-OE1 3.04Å; R238-E242 IonicContact NH2-OE1 3.23Å; R238-E242 PolarHBondContact NH2-OE1 3.26Å; R238-E242 PolarHBondContact O-N 3.43Å
239G98.4Very high98.2Very high14 Ų1461.2 Ų61.214%0.14430%0.302CS..Hα-helixtrans-61.4-40.1-179.900000112.3F235 I241 E242 A243F235-G239 VanDerWaalsContact O-CA 3.29Å; F235-G239 WeakPolarHBondContact O-CA 3.48Å; F235-G239 PolarHBondContact O-N 3.25Å; G239-I241 VanDerWaalsContact C-N 3.35Å; G239-I241 PolarHBondContact O-N 3.36Å; G239-E242 PolarHBondContact O-N 3Å; G239-A243 WeakPolarHBondContact O-CB 3.3Å; G239-A243 PolarHBondContact O-N 2.98Å
240Y98.6Very high98.3Very high10 Ų1053.8 Ų53.84%0.03928%0.276CS..Hα-helixtrans-66.2-34.2175.5-73.9-59.3000113.6F145 F149 Y178 G179 Y180 L232 F235 G236 R238 T244F145-Y240 HydrophobicContact CD1-CD1 4.12Å; F145-Y240 AromaticContact CD1-CE1 3.74Å; F145-Y240 HydrophobicContact CD1-CE1 3.74Å; F145-Y240 HydrophobicContact CD1-CE2 4.43Å; F145-Y240 AromaticContact CD1-CZ 3.94Å; F145-Y240 HydrophobicContact CE1-CE1 4.26Å; F145-Y240 HydrophobicContact CE1-CE2 4.33Å; F145-Y240 AromaticContact CE1-CZ 3.98Å; F149-Y240 HydrophobicContact CE1-CG 4.4Å; F149-Y240 VanDerWaalsContact CE2-CB 3.47Å; F149-Y240 HydrophobicContact CE2-CD1 4.34Å; F149-Y240 HydrophobicContact CE2-CD2 4.42Å; F149-Y240 AromaticContact CE2-CG 3.85Å; F149-Y240 HydrophobicContact CE2-CG 3.85Å; F149-Y240 AromaticContact CZ-CD2 3.9Å; F149-Y240 HydrophobicContact CZ-CD2 3.9Å; F149-Y240 AromaticContact CZ-CG 3.73Å; F149-Y240 HydrophobicContact CZ-CG 3.73Å; Y178-Y240 WeakPolarHBondContact O-CE1 3.19Å; G179-Y240 PolarHBondContact O-OH 3.12Å; Y180-Y240 HydrophobicContact CD2-CD1 4.19Å; Y180-Y240 AromaticContact CD2-CE1 3.6Å; Y180-Y240 HydrophobicContact CD2-CE1 3.6Å; Y180-Y240 AromaticContact CE2-CD1 3.85Å; Y180-Y240 HydrophobicContact CE2-CD1 3.85Å; Y180-Y240 AromaticContact CE2-CE1 3.74Å; Y180-Y240 HydrophobicContact CE2-CE1 3.74Å; L232-Y240 HydrophobicContact CD2-CE2 4.35Å; L232-Y240 VanDerWaalsContact CD2-OH 3.29Å; L232-Y240 WeakPolarHBondContact CD2-OH 3.33Å; F235-Y240 HydrophobicContact CB-CD1 4.43Å; F235-Y240 HydrophobicContact CB-CD2 3.98Å; F235-Y240 HydrophobicContact CB-CE1 4.1Å; F235-Y240 HydrophobicContact CB-CE2 3.6Å; F235-Y240 HydrophobicContact CB-CG 4.33Å; F235-Y240 HydrophobicContact CD1-CD1 4.29Å; F235-Y240 HydrophobicContact CD1-CE1 4.22Å; F235-Y240 HydrophobicContact CG-CE1 4.12Å; F235-Y240 HydrophobicContact CG-CE2 4.48Å; G236-Y240 WeakPolarHBondContact O-CD2 3.33Å; G236-Y240 PolarHBondContact O-N 2.79Å; R238-Y240 VanDerWaalsContact C-N 3.32Å; R238-Y240 PolarHBondContact O-N 3.09Å; Y240-T244 VanDerWaalsContact O-CB 3.23Å; Y240-T244 WeakPolarHBondContact O-CB 3.25Å; Y240-T244 PolarHBondContact O-N 3.33Å; Y240-T244 PolarHBondContact O-OG1 3.25Å
241I98.7Very high98.3Very high13 Ų1351.4 Ų51.47%0.06726%0.256CS..Hα-helixtrans-69-46.9175.7-67.3158000110.7F149 R152 A153 S237 R238 G239 T244 R245F149-I241 HydrophobicContact CB-CG1 4.14Å; F149-I241 HydrophobicContact CD1-CG1 3.8Å; F149-I241 HydrophobicContact CG-CG1 4.34Å; R152-I241 HydrophobicContact CB-CD1 4.04Å; R152-I241 HydrophobicContact CB-CG1 4.1Å; R152-I241 HydrophobicContact CB-CG2 4.27Å; R152-I241 VanDerWaalsContact O-CG2 3.25Å; R152-I241 WeakPolarHBondContact O-CG2 3.29Å; A153-I241 HydrophobicContact CB-CG2 4.41Å; S237-I241 WeakPolarHBondContact O-CD1 3.22Å; S237-I241 WeakPolarHBondContact O-CG1 3.47Å; S237-I241 PolarHBondContact O-N 3.16Å; R238-I241 PolarHBondContact O-N 3.34Å; R238-I241 VanDerWaalsContact O-N 3.13Å; G239-I241 VanDerWaalsContact C-N 3.35Å; G239-I241 PolarHBondContact O-N 3.36Å; I241-T244 PolarHBondContact O-N 3.3Å; I241-R245 WeakPolarHBondContact O-CB 3.35Å; I241-R245 PolarHBondContact O-N 2.72Å
242E98.5Very high98.3Very high82 Ų8251.1 Ų51.138%0.38325%0.251SS..Hα-helixtrans-62.1-44.7178.3-71.4173.3-179.600111R238 G239 R245 S246R238-E242 HydrophobicContact CG-CG 4.48Å; R238-E242 WeakPolarHBondContact CG-OE1 2.9Å; R238-E242 IonicContact CZ-OE1 2.62Å; R238-E242 IonicContact NE-OE1 3.66Å; R238-E242 PolarHBondContact NE-OE1 3.04Å; R238-E242 IonicContact NH2-OE1 3.23Å; R238-E242 PolarHBondContact NH2-OE1 3.26Å; R238-E242 PolarHBondContact O-N 3.43Å; G239-E242 PolarHBondContact O-N 3Å; E242-R245 PolarHBondContact O-N 3.08Å; E242-S246 PolarHBondContact O-N 2.93Å; E242-S246 PolarHBondContact O-OG 3.41Å
243A98.6Very high98.3Very high7 Ų750.9 Ų50.96%0.05825%0.247CC..Hα-helixtrans-63.3-43.4176.500000112.2Y180 F235 G239 S246 I247 L313Y180-A243 HydrophobicContact CE2-CB 3.99Å; Y180-A243 VanDerWaalsContact OH-CB 3.29Å; Y180-A243 WeakPolarHBondContact OH-CB 3.15Å; F235-A243 HydrophobicContact CE1-CB 4.46Å; G239-A243 WeakPolarHBondContact O-CB 3.3Å; G239-A243 PolarHBondContact O-N 2.98Å; A243-S246 PolarHBondContact O-N 2.87Å; A243-I247 WeakPolarHBondContact O-CB 3.33Å; A243-I247 WeakPolarHBondContact O-CD1 3.47Å; A243-I247 VanDerWaalsContact O-CG1 3.28Å; A243-I247 WeakPolarHBondContact O-CG1 3.5Å; A243-I247 PolarHBondContact O-N 3.08Å; A243-L313 HydrophobicContact CB-CD1 4.31Å; A243-L313 HydrophobicContact CB-CD2 3.92Å; A243-L313 HydrophobicContact CB-CG 4.47Å
244T98.8Very high98.4Very high0 Ų045.9 Ų45.90%022%0.22CC..Hα-helixtrans-60-50174.2-60.20000110.5L146 F149 M150 A153 Y240 I241 S246 I247 I248L146-T244 HydrophobicContact CB-CG2 4.42Å; L146-T244 HydrophobicContact CD2-CG2 4.14Å; F149-T244 HydrophobicContact CB-CG2 4.18Å; M150-T244 HydrophobicContact SD-CG2 3.91Å; A153-T244 HydrophobicContact CB-CG2 3.86Å; Y240-T244 VanDerWaalsContact O-CB 3.23Å; Y240-T244 WeakPolarHBondContact O-CB 3.25Å; Y240-T244 PolarHBondContact O-N 3.33Å; Y240-T244 PolarHBondContact O-OG1 3.25Å; I241-T244 PolarHBondContact O-N 3.3Å; T244-S246 VanDerWaalsContact C-N 3.33Å; T244-S246 PolarHBondContact O-N 3.06Å; T244-I247 PolarHBondContact O-N 3.38Å; T244-I248 HydrophobicContact CG2-CG1 3.9Å; T244-I248 WeakPolarHBondContact O-CB 3.49Å; T244-I248 VanDerWaalsContact O-CG1 3.22Å; T244-I248 WeakPolarHBondContact O-CG1 3.43Å; T244-I248 PolarHBondContact O-N 3.25Å
245R98.6Very high98.4Very high87 Ų8737.7 Ų37.733%0.32819%0.185SC..Hα-helixtrans-54.6-49.1178.9-175.3-178.7-70.2104.61.7111.3R152 A153 D154 I241 E242 H249R152-R245 PolarHBondContact O-NH2 3.14Å; A153-R245 HydrophobicContact CB-CB 4Å; D154-R245 IonicContact OD2-CZ 2.61Å; D154-R245 IonicContact OD2-NE 2.69Å; D154-R245 PolarHBondContact OD2-NE 2.98Å; D154-R245 IonicContact OD2-NH2 3.86Å; D154-R245 PolarHBondContact OD2-NH2 2.85Å; I241-R245 WeakPolarHBondContact O-CB 3.35Å; I241-R245 PolarHBondContact O-N 2.72Å; E242-R245 PolarHBondContact O-N 3.08Å; R245-H249 WeakPolarHBondContact O-CB 3.47Å; R245-H249 PolarHBondContact O-N 3.37Å
246S98.6Very high98.4Very high51 Ų5141.2 Ų41.236%0.35720%0.196SC..Hα-helixtrans-61.1-47.8179.2-63.30000112.1E242 A243 T244 T250E242-S246 PolarHBondContact O-N 2.93Å; E242-S246 PolarHBondContact O-OG 3.41Å; A243-S246 PolarHBondContact O-N 2.87Å; T244-S246 VanDerWaalsContact C-N 3.33Å; T244-S246 PolarHBondContact O-N 3.06Å; S246-T250 WeakPolarHBondContact O-CB 3.43Å; S246-T250 PolarHBondContact O-N 2.59Å; S246-T250 PolarHBondContact O-OG1 2.84Å
247I98.9Very high98.5Very high0 Ų043.9 Ų43.90%020%0.2CC..Hα-helixtrans-63.1-47.8-179.6-72.2164.7000111.1L146 Y178 Y180 A243 T244 T250 A251 V311 L313 T316L146-I247 HydrophobicContact CD1-CG2 4.39Å; L146-I247 HydrophobicContact CD2-CD1 4.08Å; L146-I247 HydrophobicContact CD2-CG2 4.4Å; Y178-I247 HydrophobicContact CD1-CD1 3.7Å; Y178-I247 HydrophobicContact CE1-CD1 3.84Å; Y178-I247 HydrophobicContact CE1-CG2 4.46Å; Y180-I247 VanDerWaalsContact OH-CD1 3.32Å; Y180-I247 WeakPolarHBondContact OH-CD1 3.43Å; A243-I247 WeakPolarHBondContact O-CB 3.33Å; A243-I247 WeakPolarHBondContact O-CD1 3.47Å; A243-I247 VanDerWaalsContact O-CG1 3.28Å; A243-I247 WeakPolarHBondContact O-CG1 3.5Å; A243-I247 PolarHBondContact O-N 3.08Å; T244-I247 PolarHBondContact O-N 3.38Å; I247-T250 PolarHBondContact O-N 3.07Å; I247-A251 WeakPolarHBondContact O-CB 3.41Å; I247-A251 PolarHBondContact O-N 3.49Å; I247-V311 HydrophobicContact CB-CG1 4.49Å; I247-V311 HydrophobicContact CG2-CB 4.31Å; I247-V311 HydrophobicContact CG2-CG1 4.07Å; I247-L313 HydrophobicContact CD1-CD2 4.35Å; I247-L313 HydrophobicContact CD1-CG 4.3Å; I247-L313 HydrophobicContact CG1-CD2 4.36Å; I247-T316 HydrophobicContact CG1-CG2 3.95Å
248I98.7Very high98.6Very high1 Ų141.5 Ų41.51%0.00518%0.183CC..Hα-helixtrans-68.1-41.8-177.8-58.1-58.9000110.6M150 Y155 T244 T250 A251 R252 L272M150-I248 HydrophobicContact CE-CD1 3.98Å; M150-I248 HydrophobicContact CE-CG1 4.11Å; M150-I248 HydrophobicContact CE-CG2 4.3Å; M150-I248 HydrophobicContact SD-CD1 3.7Å; M150-I248 HydrophobicContact SD-CG1 3.66Å; Y155-I248 HydrophobicContact CD1-CG2 3.62Å; Y155-I248 HydrophobicContact CD2-CB 3.72Å; Y155-I248 HydrophobicContact CD2-CG1 4.49Å; Y155-I248 HydrophobicContact CD2-CG2 3.42Å; Y155-I248 VanDerWaalsContact CD2-CG2 3.42Å; Y155-I248 HydrophobicContact CE1-CG2 3.9Å; Y155-I248 HydrophobicContact CE2-CB 3.87Å; Y155-I248 HydrophobicContact CE2-CG2 3.72Å; Y155-I248 HydrophobicContact CG-CB 4.2Å; Y155-I248 HydrophobicContact CG-CG2 3.38Å; T244-I248 HydrophobicContact CG2-CG1 3.9Å; T244-I248 WeakPolarHBondContact O-CB 3.49Å; T244-I248 VanDerWaalsContact O-CG1 3.22Å; T244-I248 WeakPolarHBondContact O-CG1 3.43Å; T244-I248 PolarHBondContact O-N 3.25Å; I248-T250 PolarHBondContact O-N 2.92Å; I248-A251 PolarHBondContact O-N 2.87Å; I248-R252 HydrophobicContact CG2-CG 4.24Å; I248-R252 WeakPolarHBondContact O-CB 3.39Å; I248-R252 VanDerWaalsContact O-CG 3.31Å; I248-R252 WeakPolarHBondContact O-CG 3.35Å; I248-R252 PolarHBondContact O-N 3.04Å; I248-L272 HydrophobicContact CD1-CB 4.45Å; I248-L272 HydrophobicContact CD1-CD2 4.05Å
249H98.6Very high98.6Very high102 Ų10237.8 Ų37.847%0.47217%0.17SC..Hα-helixtrans-57.1-48.7174.9-175.288.4000111.8Y155 R245 R252 Y253Y155-H249 WeakPolarHBondContact OH-CA 3.29Å; Y155-H249 PolarHBondContact OH-ND1 3.46Å; R245-H249 WeakPolarHBondContact O-CB 3.47Å; R245-H249 PolarHBondContact O-N 3.37Å; H249-R252 PolarHBondContact O-N 2.69Å; H249-Y253 PolarHBondContact O-N 2.96Å
250T98.8Very high98.6Very high14 Ų1445.2 Ų45.29%0.08620%0.198CC..Hα-helixtrans-62.8-44.7176.6-67.40000112S246 I247 I248 R252 Y253 I254 V311 A321S246-T250 WeakPolarHBondContact O-CB 3.43Å; S246-T250 PolarHBondContact O-N 2.59Å; S246-T250 PolarHBondContact O-OG1 2.84Å; I247-T250 PolarHBondContact O-N 3.07Å; I248-T250 PolarHBondContact O-N 2.92Å; T250-R252 PolarHBondContact O-N 3.47Å; T250-Y253 WeakPolarHBondContact O-CB 3.09Å; T250-Y253 PolarHBondContact O-N 3.29Å; T250-I254 HydrophobicContact CG2-CD1 3.89Å; T250-I254 HydrophobicContact CG2-CG1 4.49Å; T250-I254 WeakPolarHBondContact O-CG1 3.27Å; T250-I254 PolarHBondContact O-N 3.19Å; T250-V311 HydrophobicContact CG2-CG1 3.71Å; T250-V311 HydrophobicContact CG2-CG2 4.37Å; T250-A321 HydrophobicContact CG2-CB 3.86Å
251A98.7Very high98.6Very high0 Ų045.2 Ų45.20%020%0.199CC..Hα-helixtrans-62.2-41.4177.800000112.1I247 I248 Y253 I254 E255 L272 V275 V311I247-A251 WeakPolarHBondContact O-CB 3.41Å; I247-A251 PolarHBondContact O-N 3.49Å; I248-A251 PolarHBondContact O-N 2.87Å; A251-Y253 VanDerWaalsContact C-N 3.35Å; A251-I254 PolarHBondContact O-N 2.87Å; A251-E255 VanDerWaalsContact O-CB 3.3Å; A251-E255 WeakPolarHBondContact O-CB 3.11Å; A251-E255 PolarHBondContact O-N 2.67Å; A251-L272 VanDerWaalsContact CB-O 3.3Å; A251-L272 WeakPolarHBondContact CB-O 3.37Å; A251-V275 HydrophobicContact CB-CG2 4.41Å; A251-V311 HydrophobicContact CB-CB 4.34Å; A251-V311 HydrophobicContact CB-CG2 3.99Å
252R98.4Very high98.6Very high23 Ų2352.4 Ų52.49%0.08723%0.229CC..Hα-helixtrans-64.6-38.5174.1-68-4289.3-155.210.7112Y155 I248 H249 T250 E255 R256 P270 L272Y155-R252 HydrophobicContact CE1-CG 4.06Å; I248-R252 HydrophobicContact CG2-CG 4.24Å; I248-R252 WeakPolarHBondContact O-CB 3.39Å; I248-R252 VanDerWaalsContact O-CG 3.31Å; I248-R252 WeakPolarHBondContact O-CG 3.35Å; I248-R252 PolarHBondContact O-N 3.04Å; H249-R252 PolarHBondContact O-N 2.69Å; T250-R252 PolarHBondContact O-N 3.47Å; R252-E255 IonicContact CZ-OE2 3.28Å; R252-E255 IonicContact NH1-OE1 2.93Å; R252-E255 IonicContact NH1-OE2 2.64Å; R252-E255 PolarHBondContact NH1-OE2 3.42Å; R252-R256 WeakPolarHBondContact O-CB 3.39Å; R252-R256 VanDerWaalsContact O-CG 3.29Å; R252-R256 WeakPolarHBondContact O-CG 3.04Å; R252-R256 PolarHBondContact O-N 2.86Å; R252-R256 PolarHBondContact O-NE 2.62Å; R252-P270 PolarHBondContact NH1-O 3.03Å; R252-P270 PolarHBondContact NH2-O 2.59Å; R252-L272 PolarHBondContact NH2-O 2.74Å
253Y98.7Very high98.6Very high54 Ų5448.9 Ų48.921%0.21221%0.214CC..Hα-helixtrans-60.6-50.6174.3173.1-89.9000111H249 T250 A251 R256 K257 A321 I325H249-Y253 PolarHBondContact O-N 2.96Å; T250-Y253 WeakPolarHBondContact O-CB 3.09Å; T250-Y253 PolarHBondContact O-N 3.29Å; A251-Y253 VanDerWaalsContact C-N 3.35Å; Y253-R256 PolarHBondContact O-N 3.32Å; Y253-K257 HydrophobicContact CD1-CG 4.43Å; Y253-K257 HydrophobicContact CD2-CG 4.42Å; Y253-K257 HydrophobicContact CE1-CG 4.02Å; Y253-K257 HydrophobicContact CE2-CD 4.48Å; Y253-K257 HydrophobicContact CE2-CG 4Å; Y253-K257 WeakPolarHBondContact O-CB 3.39Å; Y253-K257 VanDerWaalsContact O-CG 3.3Å; Y253-K257 WeakPolarHBondContact O-CG 2.94Å; Y253-K257 PolarHBondContact O-N 3.04Å; Y253-K257 VanDerWaalsContact O-N 3.09Å; Y253-A321 HydrophobicContact CD1-CB 3.93Å; Y253-A321 HydrophobicContact CE1-CB 4.16Å; Y253-I325 HydrophobicContact CE1-CG1 3.93Å
254I98.7Very high98.6Very high0 Ų048.9 Ų48.90%021%0.214CC..Hα-helixtrans-60.9-49.7-179.6-69.6171.2000110.4T250 A251 R256 K257 L258 F309 V311 A321 F324 I325T250-I254 HydrophobicContact CG2-CD1 3.89Å; T250-I254 HydrophobicContact CG2-CG1 4.49Å; T250-I254 WeakPolarHBondContact O-CG1 3.27Å; T250-I254 PolarHBondContact O-N 3.19Å; A251-I254 PolarHBondContact O-N 2.87Å; I254-R256 PolarHBondContact O-N 3.13Å; I254-K257 PolarHBondContact O-N 3.23Å; I254-K257 VanDerWaalsContact O-N 3.16Å; I254-L258 HydrophobicContact CG2-CD1 3.7Å; I254-L258 HydrophobicContact CG2-CG 4.1Å; I254-L258 WeakPolarHBondContact O-CB 3.14Å; I254-L258 WeakPolarHBondContact O-CG 3.08Å; I254-L258 PolarHBondContact O-N 2.74Å; I254-F309 HydrophobicContact CD1-CD1 3.91Å; I254-F309 HydrophobicContact CD1-CE1 3.93Å; I254-V311 HydrophobicContact CD1-CG2 3.87Å; I254-A321 HydrophobicContact CD1-CB 4.16Å; I254-A321 HydrophobicContact CG1-CB 4.07Å; I254-F324 HydrophobicContact CD1-CD1 4.42Å; I254-F324 HydrophobicContact CG1-CD1 4.38Å; I254-F324 HydrophobicContact CG2-CD1 4.01Å; I254-F324 HydrophobicContact CG2-CE1 3.75Å; I254-I325 HydrophobicContact CG2-CD1 4.32Å
255E98.6Very high98.5Very high9 Ų954.1 Ų54.14%0.04223%0.234CC..Hα-helixtrans-55.2-52.6178.4-172.9-138.917700112.1A251 R252 K257 L258 R259 V266 H269 P270 V275A251-E255 VanDerWaalsContact O-CB 3.3Å; A251-E255 WeakPolarHBondContact O-CB 3.11Å; A251-E255 PolarHBondContact O-N 2.67Å; R252-E255 IonicContact CZ-OE2 3.28Å; R252-E255 IonicContact NH1-OE1 2.93Å; R252-E255 IonicContact NH1-OE2 2.64Å; R252-E255 PolarHBondContact NH1-OE2 3.42Å; E255-K257 PolarHBondContact O-N 2.93Å; E255-L258 PolarHBondContact O-N 3.26Å; E255-R259 WeakPolarHBondContact O-CG 3.05Å; E255-R259 PolarHBondContact O-N 2.99Å; E255-R259 IonicContact OE1-CZ 2.73Å; E255-R259 VanDerWaalsContact OE1-CZ 3.28Å; E255-R259 IonicContact OE1-NE 3.74Å; E255-R259 PolarHBondContact OE1-NE 3.11Å; E255-R259 IonicContact OE1-NH2 3.43Å; E255-R259 PolarHBondContact OE1-NH2 3.02Å; E255-V266 HydrophobicContact CG-CG1 4.1Å; E255-H269 IonicContact OE1-CE1 3.85Å; E255-H269 IonicContact OE1-ND1 3.4Å; E255-H269 PolarHBondContact OE1-ND1 3.3Å; E255-P270 HydrophobicContact CG-CG 4.46Å; E255-V275 HydrophobicContact CB-CG1 4.17Å; E255-V275 HydrophobicContact CB-CG2 4.21Å; E255-V275 HydrophobicContact CG-CG1 4.35Å
256R98.6Very high98.5Very high134 Ų13450.6 Ų50.651%0.50622%0.222SC..Hα-helixtrans-61.4-31.5179.7-73.6-174.5-53.6-129.2-0.1113.2R252 Y253 I254 K260R252-R256 WeakPolarHBondContact O-CB 3.39Å; R252-R256 VanDerWaalsContact O-CG 3.29Å; R252-R256 WeakPolarHBondContact O-CG 3.04Å; R252-R256 PolarHBondContact O-N 2.86Å; R252-R256 PolarHBondContact O-NE 2.62Å; Y253-R256 PolarHBondContact O-N 3.32Å; I254-R256 PolarHBondContact O-N 3.13Å; R256-K260 WeakPolarHBondContact O-CG 3.33Å
257K98.7Very high98.5Very high84 Ų8448.9 Ų48.937%0.36521%0.209SC..Hα-helixtrans-80.6-44.1-179.7-73-69.2-173.4170.30111.5Y253 I254 E255 R259 K260 I261 I325Y253-K257 HydrophobicContact CD1-CG 4.43Å; Y253-K257 HydrophobicContact CD2-CG 4.42Å; Y253-K257 HydrophobicContact CE1-CG 4.02Å; Y253-K257 HydrophobicContact CE2-CD 4.48Å; Y253-K257 HydrophobicContact CE2-CG 4Å; Y253-K257 WeakPolarHBondContact O-CB 3.39Å; Y253-K257 VanDerWaalsContact O-CG 3.3Å; Y253-K257 WeakPolarHBondContact O-CG 2.94Å; Y253-K257 PolarHBondContact O-N 3.04Å; Y253-K257 VanDerWaalsContact O-N 3.09Å; I254-K257 PolarHBondContact O-N 3.23Å; I254-K257 VanDerWaalsContact O-N 3.16Å; E255-K257 PolarHBondContact O-N 2.93Å; K257-R259 VanDerWaalsContact C-N 3.29Å; K257-R259 PolarHBondContact O-N 3.42Å; K257-K260 WeakPolarHBondContact O-CB 3.33Å; K257-K260 PolarHBondContact O-N 2.86Å; K257-I261 PolarHBondContact O-N 2.94Å; K257-I325 HydrophobicContact CB-CB 4.34Å; K257-I325 HydrophobicContact CB-CD1 3.5Å; K257-I325 VanDerWaalsContact CB-CD1 3.5Å; K257-I325 HydrophobicContact CB-CG1 3.65Å; K257-I325 HydrophobicContact CB-CG2 3.72Å; K257-I325 HydrophobicContact CD-CG2 4.34Å; K257-I325 HydrophobicContact CG-CG1 4.22Å; K257-I325 HydrophobicContact CG-CG2 4.15Å
258L98.7Very high98.4Very high0 Ų049.4 Ų49.40%021%0.214CC..Hα-helixtrans-57-42.3173.9-73.9177.1000111.7I254 E255 K260 I261 I264 V266 V275 F277 F324 I325 A328I254-L258 HydrophobicContact CG2-CD1 3.7Å; I254-L258 HydrophobicContact CG2-CG 4.1Å; I254-L258 WeakPolarHBondContact O-CB 3.14Å; I254-L258 WeakPolarHBondContact O-CG 3.08Å; I254-L258 PolarHBondContact O-N 2.74Å; E255-L258 PolarHBondContact O-N 3.26Å; L258-K260 PolarHBondContact O-N 3.29Å; L258-I261 HydrophobicContact CD2-CD1 4.06Å; L258-I261 PolarHBondContact O-N 3.17Å; L258-I264 HydrophobicContact CB-CG2 4.22Å; L258-I264 HydrophobicContact CD2-CD1 4.2Å; L258-I264 HydrophobicContact CD2-CG2 4.43Å; L258-V266 HydrophobicContact CB-CG2 3.89Å; L258-V275 HydrophobicContact CD1-CG1 3.9Å; L258-F277 HydrophobicContact CD1-CD1 3.58Å; L258-F277 HydrophobicContact CD1-CE1 3.73Å; L258-F277 HydrophobicContact CD1-CG 4.16Å; L258-F277 HydrophobicContact CD1-CZ 4.41Å; L258-F277 HydrophobicContact CD2-CZ 4.45Å; L258-F324 HydrophobicContact CD1-CE1 4.25Å; L258-F324 HydrophobicContact CD2-CE1 4.09Å; L258-F324 HydrophobicContact CG-CE1 4.41Å; L258-I325 HydrophobicContact CD2-CD1 4.03Å; L258-I325 HydrophobicContact CG-CD1 3.95Å; L258-A328 HydrophobicContact CD2-CB 4.26Å
259R98.4Very high98.3Very high109 Ų10954.1 Ų54.141%0.41124%0.236SC..THydrogen-bonded Turntrans-59.9-16.1175.5-72.1-177.2-172.8-730.8114.5E255 K257 V266 G268E255-R259 WeakPolarHBondContact O-CG 3.05Å; E255-R259 PolarHBondContact O-N 2.99Å; E255-R259 IonicContact OE1-CZ 2.73Å; E255-R259 VanDerWaalsContact OE1-CZ 3.28Å; E255-R259 IonicContact OE1-NE 3.74Å; E255-R259 PolarHBondContact OE1-NE 3.11Å; E255-R259 IonicContact OE1-NH2 3.43Å; E255-R259 PolarHBondContact OE1-NH2 3.02Å; K257-R259 VanDerWaalsContact C-N 3.29Å; K257-R259 PolarHBondContact O-N 3.42Å; R259-V266 HydrophobicContact CG-CB 4.06Å; R259-V266 HydrophobicContact CG-CG2 3.77Å; R259-G268 PolarHBondContact NH2-O 2.94Å
260K98.5Very high98.2Very high170 Ų17049.2 Ų49.274%0.73921%0.213SC*.THydrogen-bonded Turntrans-98.1-11.7178.1-65.7-178.8-178.8-164.90113.2R256 K257 L258R256-K260 WeakPolarHBondContact O-CG 3.33Å; K257-K260 WeakPolarHBondContact O-CB 3.33Å; K257-K260 PolarHBondContact O-N 2.86Å; L258-K260 PolarHBondContact O-N 3.29Å
261I98.6Very high98.1Very high10 Ų1052 Ų525%0.05122%0.222CC..SBendtrans-78.3124178.3-62.2174.7000107.9K257 L258 G263 I264 A328 N329 A332K257-I261 PolarHBondContact O-N 2.94Å; L258-I261 HydrophobicContact CD2-CD1 4.06Å; L258-I261 PolarHBondContact O-N 3.17Å; I261-G263 PolarHBondContact O-N 3.49Å; I261-I264 HydrophobicContact CB-CB 4.27Å; I261-I264 HydrophobicContact CB-CD1 4.03Å; I261-I264 HydrophobicContact CB-CG1 4.33Å; I261-I264 HydrophobicContact CD1-CD1 4.19Å; I261-I264 HydrophobicContact CG2-CB 4.43Å; I261-I264 HydrophobicContact CG2-CD1 3.7Å; I261-I264 HydrophobicContact CG2-CG1 3.99Å; I261-I264 PolarHBondContact O-N 2.9Å; I261-I264 VanDerWaalsContact O-N 3.16Å; I261-A328 HydrophobicContact CD1-CB 4.02Å; I261-N329 HydrophobicContact CD1-CB 4.07Å; I261-N329 HydrophobicContact CG1-CB 4.29Å; I261-A332 HydrophobicContact CG2-CB 3.48Å; I261-A332 VanDerWaalsContact CG2-CB 3.48Å
262K98.1Very high98.1Very high164 Ų16452 Ų5271%0.71322%0.222SC*.THydrogen-bonded Turntrans-59.9132.2-179.8-175.6178.9175.2-173.40109.8I264 L336K262-I264 VanDerWaalsContact C-N 3.31Å; K262-I264 PolarHBondContact O-N 2.98Å; K262-L336 HydrophobicContact CB-CD1 3.91Å; K262-L336 HydrophobicContact CD-CD1 3.91Å; K262-L336 HydrophobicContact CG-CD1 3.83Å
263G97.7Very high98.1Very high7 Ų751 Ų517%0.07222%0.218CC..THydrogen-bonded Turntrans85.5-10.8-179.400000115.2I261 Y265 S279 V281I261-G263 PolarHBondContact O-N 3.49Å; G263-Y265 WeakPolarHBondContact O-CD2 3.5Å; G263-Y265 WeakPolarHBondContact O-CE2 3.4Å; G263-S279 VanDerWaalsContact O-CA 3.28Å; G263-S279 WeakPolarHBondContact O-CA 3.48Å; G263-S279 WeakPolarHBondContact O-CB 3.45Å; G263-S279 PolarHBondContact O-OG 3.22Å; G263-V281 VanDerWaalsContact CA-CG2 3.43Å
264I98.4Very high98.1Very high8 Ų848.4 Ų48.44%0.04121%0.208CC..  trans-95.8135.5175.1-66.8-175.4000110.9L258 I261 K262 F277 T278 F282 F287 A332L258-I264 HydrophobicContact CB-CG2 4.22Å; L258-I264 HydrophobicContact CD2-CD1 4.2Å; L258-I264 HydrophobicContact CD2-CG2 4.43Å; I261-I264 HydrophobicContact CB-CB 4.27Å; I261-I264 HydrophobicContact CB-CD1 4.03Å; I261-I264 HydrophobicContact CB-CG1 4.33Å; I261-I264 HydrophobicContact CD1-CD1 4.19Å; I261-I264 HydrophobicContact CG2-CB 4.43Å; I261-I264 HydrophobicContact CG2-CD1 3.7Å; I261-I264 HydrophobicContact CG2-CG1 3.99Å; I261-I264 PolarHBondContact O-N 2.9Å; I261-I264 VanDerWaalsContact O-N 3.16Å; K262-I264 VanDerWaalsContact C-N 3.31Å; K262-I264 PolarHBondContact O-N 2.98Å; I264-F277 HydrophobicContact CD1-CD2 4.48Å; I264-F277 HydrophobicContact CD1-CE2 4.37Å; I264-F277 HydrophobicContact CG2-CB 4Å; I264-F277 HydrophobicContact CG2-CD2 3.73Å; I264-F277 HydrophobicContact CG2-CG 4.12Å; I264-T278 WeakPolarHBondContact CA-O 3.15Å; I264-F282 HydrophobicContact CG1-CZ 3.98Å; I264-F287 HydrophobicContact CD1-CE2 3.83Å; I264-F287 HydrophobicContact CD1-CZ 4.04Å; I264-A332 HydrophobicContact CD1-CB 4.2Å; I264-A332 HydrophobicContact CG1-CB 4.42Å
265Y98.2Very high98.1Very high109 Ų10948.4 Ų48.443%0.42721%0.208SC..EExtended strand (participates in β ladder)trans-128.4116.3178.8-61.7-94.8000110G263 F277 T278 Y280G263-Y265 WeakPolarHBondContact O-CD2 3.5Å; G263-Y265 WeakPolarHBondContact O-CE2 3.4Å; Y265-F277 CarbonylContact O-C 3.54Å; Y265-F277 WeakPolarHBondContact O-CA 3.11Å; Y265-F277 VanDerWaalsContact O-CB 3.32Å; Y265-F277 WeakPolarHBondContact O-CB 3.24Å; Y265-T278 PolarHBondContact N-O 2.87Å; Y265-T278 PolarHBondContact O-N 3.48Å; Y265-Y280 HydrophobicContact CD1-CD2 4.05Å; Y265-Y280 HydrophobicContact CD1-CE2 4Å; Y265-Y280 AromaticContact CD2-CD2 3.39Å; Y265-Y280 HydrophobicContact CD2-CD2 3.39Å; Y265-Y280 AromaticContact CD2-CE2 3.86Å; Y265-Y280 HydrophobicContact CD2-CE2 3.86Å; Y265-Y280 HydrophobicContact CD2-CG 4.35Å; Y265-Y280 HydrophobicContact CE1-CD2 4.22Å; Y265-Y280 AromaticContact CE2-CD2 3.59Å; Y265-Y280 HydrophobicContact CE2-CD2 3.59Å; Y265-Y280 HydrophobicContact CE2-CE2 4.42Å; Y265-Y280 HydrophobicContact CE2-CG 4.41Å; Y265-Y280 AromaticContact CG-CD2 3.64Å; Y265-Y280 HydrophobicContact CG-CD2 3.64Å; Y265-Y280 AromaticContact CG-CE2 3.63Å; Y265-Y280 HydrophobicContact CG-CE2 3.63Å; Y265-Y280 AromaticContact CZ-CD2 4Å
266V98.4Very high98.1Very high14 Ų1448 Ų489%0.08521%0.206CC..EExtended strand (participates in β ladder)trans-78.7129.6175.8175.20000109.7E255 L258 R259 P270 V275 A276 F277E255-V266 HydrophobicContact CG-CG1 4.1Å; L258-V266 HydrophobicContact CB-CG2 3.89Å; R259-V266 HydrophobicContact CG-CB 4.06Å; R259-V266 HydrophobicContact CG-CG2 3.77Å; V266-P270 HydrophobicContact CG1-CG 4.32Å; V266-V275 HydrophobicContact CG1-CG1 4.03Å; V266-V275 HydrophobicContact CG2-CG1 4.32Å; V266-A276 WeakPolarHBondContact CA-O 3.43Å; V266-A276 WeakPolarHBondContact CG1-O 3.19Å; V266-F277 HydrophobicContact CG2-CB 4.2Å
267F97.9Very high98.1Very high15 Ų1541.6 Ų41.67%0.06618%0.182CC..  trans-69.2129.9176.5-71.4-68000111.5H116 A276 T278 P304H116-F267 HydrophobicContact CB-CB 4.46Å; H116-F267 AromaticContact CD2-CD2 3.95Å; H116-F267 AromaticContact CD2-CG 3.96Å; F267-A276 HydrophobicContact CB-CB 4.37Å; F267-A276 HydrophobicContact CD2-CB 3.87Å; F267-A276 PolarHBondContact N-O 2.93Å; F267-T278 HydrophobicContact CE1-CG2 3.85Å; F267-T278 HydrophobicContact CE2-CG2 3.99Å; F267-T278 VanDerWaalsContact CZ-CB 3.41Å; F267-T278 HydrophobicContact CZ-CG2 3.42Å; F267-T278 VanDerWaalsContact CZ-CG2 3.42Å; F267-P304 HydrophobicContact CE1-CG 3.49Å; F267-P304 VanDerWaalsContact CE1-CG 3.49Å; F267-P304 HydrophobicContact CZ-CB 4.49Å; F267-P304 HydrophobicContact CZ-CG 3.56Å
268G96.9Very high98Very high11 Ų1137.9 Ų37.911%0.11317%0.166CC..SBendtrans54.9-148.8174.500000113.9G72 R259G72-G268 VanDerWaalsContact O-CA 3.29Å; G72-G268 WeakPolarHBondContact O-CA 3.34Å; R259-G268 PolarHBondContact NH2-O 2.94Å
269H96.3Very high98Very high99 Ų9938.4 Ų38.446%0.45817%0.17SC..  trans-129.178.3175-169.752.6000110E255 R271E255-H269 IonicContact OE1-CE1 3.85Å; E255-H269 IonicContact OE1-ND1 3.4Å; E255-H269 PolarHBondContact OE1-ND1 3.3Å; H269-R271 PolarHBondContact NE2-NH1 3.23Å; H269-R271 PolarHBondContact O-N 3.32Å
270P97.1Very high97.9Very high0 Ų041 Ų410%018%0.181CC..  trans-62.1133.7-178.224.9-32.3000109.1G117 I118 R252 E255 V266 V274G117-P270 WeakPolarHBondContact O-CA 3.31Å; I118-P270 HydrophobicContact CD1-CB 4.42Å; R252-P270 PolarHBondContact NH1-O 3.03Å; R252-P270 PolarHBondContact NH2-O 2.59Å; E255-P270 HydrophobicContact CG-CG 4.46Å; V266-P270 HydrophobicContact CG1-CG 4.32Å; P270-V274 WeakPolarHBondContact CB-O 3.2Å
271R97.2Very high97.8Very high73 Ų7336 Ų3628%0.27517%0.165SC..  trans-102.8-11.2179.8-63.7-63.7-67.5-133.4-5.8113.8I119 M150 P156 L157 H269I119-R271 HydrophobicContact CD1-CB 4.28Å; M150-R271 WeakPolarHBondContact CE-O 3.36Å; P156-R271 PolarHBondContact O-NH2 2.83Å; L157-R271 HydrophobicContact CD2-CB 4.46Å; H269-R271 PolarHBondContact NE2-NH1 3.23Å; H269-R271 PolarHBondContact O-N 3.32Å
272L97.8Very high97.7Very high0 Ų036 Ų360%016%0.164CC..SBendtrans-111.2-140.9-173.6-64.3175.2000111P112 I119 L146 L147 M150 I248 A251 R252P112-L272 HydrophobicContact CB-CD1 4.03Å; P112-L272 HydrophobicContact CG-CB 4.29Å; P112-L272 HydrophobicContact CG-CD1 3.57Å; I119-L272 HydrophobicContact CD1-CD1 4Å; I119-L272 HydrophobicContact CD1-CG 4.19Å; I119-L272 HydrophobicContact CG1-CD1 4.12Å; L146-L272 HydrophobicContact CB-CD2 4.13Å; L147-L272 HydrophobicContact CD2-CD1 3.74Å; L147-L272 HydrophobicContact CD2-CD2 4.19Å; L147-L272 HydrophobicContact CD2-CG 4.46Å; L147-L272 HydrophobicContact CG-CD1 3.98Å; M150-L272 HydrophobicContact CE-CD2 3.67Å; M150-L272 HydrophobicContact CG-CD2 4.07Å; M150-L272 HydrophobicContact SD-CD2 3.45Å; M150-L272 WeakPolarHBondContact SD-CD2 3.16Å; I248-L272 HydrophobicContact CD1-CB 4.45Å; I248-L272 HydrophobicContact CD1-CD2 4.05Å; A251-L272 VanDerWaalsContact CB-O 3.3Å; A251-L272 WeakPolarHBondContact CB-O 3.37Å; R252-L272 PolarHBondContact NH2-O 2.74Å
273S98.5Very high97.5Very high0 Ų030.3 Ų30.30%014%0.141CC..SBendtrans-89.2-20.9-169.651.90000115.2Y178 V311Y178-S273 VanDerWaalsContact CZ-OG 3.26Å; Y178-S273 WeakPolarHBondContact OH-CB 3.4Å; Y178-S273 PolarHBondContact OH-OG 2.9Å; S273-V311 WeakPolarHBondContact CB-O 3.3Å; S273-V311 WeakPolarHBondContact O-CB 3.42Å; S273-V311 WeakPolarHBondContact O-CG2 3.42Å; S273-V311 PolarHBondContact O-N 2.81Å
274V98.7Very high97.4Very high0 Ų030.1 Ų30.10%014%0.139CC..EExtended strand (participates in β ladder)trans-92127.9-178.1175.40000109.5L142 P270 H308 C310L142-V274 HydrophobicContact CD2-CG2 3.75Å; P270-V274 WeakPolarHBondContact CB-O 3.2Å; V274-H308 HydrophobicContact CG1-CB 3.92Å; V274-C310 HydrophobicContact CG2-CB 4.05Å
275V98.7Very high97.3Very high1 Ų130 Ų301%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-119.5108.3171.5-1750000107.8A251 E255 L258 V266 H308 F309A251-V275 HydrophobicContact CB-CG2 4.41Å; E255-V275 HydrophobicContact CB-CG1 4.17Å; E255-V275 HydrophobicContact CB-CG2 4.21Å; E255-V275 HydrophobicContact CG-CG1 4.35Å; L258-V275 HydrophobicContact CD1-CG1 3.9Å; V266-V275 HydrophobicContact CG1-CG1 4.03Å; V266-V275 HydrophobicContact CG2-CG1 4.32Å; V275-H308 WeakPolarHBondContact O-CA 3.45Å; V275-H308 WeakPolarHBondContact O-CB 3.47Å; V275-F309 PolarHBondContact N-O 2.87Å; V275-F309 PolarHBondContact O-N 3Å
276A98.6Very high97.1Very high0 Ų025.2 Ų25.20%012%0.12CC..EExtended strand (participates in β ladder)trans-98.2141.9176.400000110.7P115 H116 V266 F267 L301 V307 H308P115-A276 WeakPolarHBondContact O-CB 3.47Å; H116-A276 HydrophobicContact CB-CB 4.45Å; V266-A276 WeakPolarHBondContact CA-O 3.43Å; V266-A276 WeakPolarHBondContact CG1-O 3.19Å; F267-A276 HydrophobicContact CB-CB 4.37Å; F267-A276 HydrophobicContact CD2-CB 3.87Å; F267-A276 PolarHBondContact N-O 2.93Å; A276-L301 HydrophobicContact CB-CD1 3.86Å; A276-V307 CarbonylContact C-O 3.6Å; A276-V307 WeakPolarHBondContact CA-O 3.38Å; A276-H308 HydrophobicContact CB-CB 3.74Å
277F98.4Very high97Very high0 Ų024.5 Ų24.50%012%0.116CC..EExtended strand (participates in β ladder)trans-150.8161.3-178.959.8-84000112.1L258 I264 Y265 V266 I284 F287 L298 G306 V307 F324L258-F277 HydrophobicContact CD1-CD1 3.58Å; L258-F277 HydrophobicContact CD1-CE1 3.73Å; L258-F277 HydrophobicContact CD1-CG 4.16Å; L258-F277 HydrophobicContact CD1-CZ 4.41Å; L258-F277 HydrophobicContact CD2-CZ 4.45Å; I264-F277 HydrophobicContact CD1-CD2 4.48Å; I264-F277 HydrophobicContact CD1-CE2 4.37Å; I264-F277 HydrophobicContact CG2-CB 4Å; I264-F277 HydrophobicContact CG2-CD2 3.73Å; I264-F277 HydrophobicContact CG2-CG 4.12Å; Y265-F277 CarbonylContact O-C 3.54Å; Y265-F277 WeakPolarHBondContact O-CA 3.11Å; Y265-F277 VanDerWaalsContact O-CB 3.32Å; Y265-F277 WeakPolarHBondContact O-CB 3.24Å; V266-F277 HydrophobicContact CG2-CB 4.2Å; F277-I284 HydrophobicContact CD2-CD1 4.15Å; F277-I284 HydrophobicContact CE2-CD1 4.26Å; F277-F287 HydrophobicContact CE2-CD1 4.1Å; F277-F287 AromaticContact CE2-CE1 3.55Å; F277-F287 HydrophobicContact CE2-CE1 3.55Å; F277-F287 HydrophobicContact CE2-CZ 4.02Å; F277-F287 AromaticContact CZ-CE1 3.81Å; F277-F287 HydrophobicContact CZ-CE1 3.81Å; F277-F287 HydrophobicContact CZ-CZ 4.39Å; F277-L298 HydrophobicContact CZ-CD1 4.22Å; F277-G306 WeakPolarHBondContact O-CA 3.46Å; F277-V307 HydrophobicContact CD1-CG2 4.29Å; F277-V307 HydrophobicContact CD2-CG2 3.9Å; F277-V307 HydrophobicContact CE1-CG2 3.86Å; F277-V307 HydrophobicContact CE2-CG2 3.44Å; F277-V307 VanDerWaalsContact CE2-CG2 3.44Å; F277-V307 HydrophobicContact CG-CG2 4.32Å; F277-V307 HydrophobicContact CZ-CG2 3.42Å; F277-V307 VanDerWaalsContact CZ-CG2 3.42Å; F277-V307 PolarHBondContact N-O 2.87Å; F277-V307 PolarHBondContact O-N 3.46Å; F277-V307 VanDerWaalsContact O-O 3.14Å; F277-F324 HydrophobicContact CE1-CZ 4.37Å; F277-F324 HydrophobicContact CZ-CZ 4.27Å
278T98Very high96.9Very high5 Ų524.3 Ų24.33%0.03112%0.116CC..EExtended strand (participates in β ladder)trans-138.5179.7178.9-165.60000111.2I264 Y265 F267 Y280 P305I264-T278 WeakPolarHBondContact CA-O 3.15Å; Y265-T278 PolarHBondContact N-O 2.87Å; Y265-T278 PolarHBondContact O-N 3.48Å; F267-T278 HydrophobicContact CE1-CG2 3.85Å; F267-T278 HydrophobicContact CE2-CG2 3.99Å; F267-T278 VanDerWaalsContact CZ-CB 3.41Å; F267-T278 HydrophobicContact CZ-CG2 3.42Å; F267-T278 VanDerWaalsContact CZ-CG2 3.42Å; T278-Y280 HydrophobicContact CG2-CE1 4.2Å; T278-Y280 HydrophobicContact CG2-CE2 4.16Å; T278-P305 WeakPolarHBondContact CB-O 3.46Å; T278-P305 PolarHBondContact OG1-O 3.22Å
279S97.7Very high96.8Very high11 Ų1125 Ų258%0.07712%0.119CC..  trans-134.2137.7168.1176.70000109.5G263 V281 F282G263-S279 VanDerWaalsContact O-CA 3.28Å; G263-S279 WeakPolarHBondContact O-CA 3.48Å; G263-S279 WeakPolarHBondContact O-CB 3.45Å; G263-S279 PolarHBondContact O-OG 3.22Å; S279-V281 PolarHBondContact OG-N 3.36Å; S279-F282 VanDerWaalsContact CB-CD2 3.44Å; S279-F282 WeakPolarHBondContact CB-O 3.39Å; S279-F282 VanDerWaalsContact OG-CD1 3.26Å; S279-F282 WeakPolarHBondContact OG-CD1 3.33Å; S279-F282 VanDerWaalsContact OG-CD2 3.32Å; S279-F282 WeakPolarHBondContact OG-CD2 3.4Å; S279-F282 WeakPolarHBondContact OG-CE1 3.4Å; S279-F282 WeakPolarHBondContact OG-CE2 3.33Å; S279-F282 VanDerWaalsContact OG-CG 3.22Å; S279-F282 WeakPolarHBondContact OG-CG 3.33Å; S279-F282 WeakPolarHBondContact OG-CZ 3.17Å; S279-F282 PolarHBondContact OG-N 3.4Å; S279-F282 PolarHBondContact OG-O 2.88Å
280Y95.8Very high96.7Very high163 Ų16322.2 Ų22.264%0.63911%0.105SC*.SBendtrans-99.30.5172.5-58.4-66.3000112.4Y265 T278Y265-Y280 HydrophobicContact CD1-CD2 4.05Å; Y265-Y280 HydrophobicContact CD1-CE2 4Å; Y265-Y280 AromaticContact CD2-CD2 3.39Å; Y265-Y280 HydrophobicContact CD2-CD2 3.39Å; Y265-Y280 AromaticContact CD2-CE2 3.86Å; Y265-Y280 HydrophobicContact CD2-CE2 3.86Å; Y265-Y280 HydrophobicContact CD2-CG 4.35Å; Y265-Y280 HydrophobicContact CE1-CD2 4.22Å; Y265-Y280 AromaticContact CE2-CD2 3.59Å; Y265-Y280 HydrophobicContact CE2-CD2 3.59Å; Y265-Y280 HydrophobicContact CE2-CE2 4.42Å; Y265-Y280 HydrophobicContact CE2-CG 4.41Å; Y265-Y280 AromaticContact CG-CD2 3.64Å; Y265-Y280 HydrophobicContact CG-CD2 3.64Å; Y265-Y280 AromaticContact CG-CE2 3.63Å; Y265-Y280 HydrophobicContact CG-CE2 3.63Å; Y265-Y280 AromaticContact CZ-CD2 4Å; T278-Y280 HydrophobicContact CG2-CE1 4.2Å; T278-Y280 HydrophobicContact CG2-CE2 4.16Å
281V96.8Very high96.7Very high66 Ų6622.2 Ų22.240%0.411%0.105SC..SBendtrans-125.2-9.2-172.8-61.50000113.5G263 S279 L336 P339G263-V281 VanDerWaalsContact CA-CG2 3.43Å; S279-V281 PolarHBondContact OG-N 3.36Å; V281-L336 HydrophobicContact CG2-CD2 3.69Å; V281-P339 WeakPolarHBondContact O-CB 3.46Å
282F95.8Very high96.6Very high10 Ų1021 Ų214%0.04411%0.108CC..SBendtrans-148.2162.9170.456.5-109000110.2I264 S279 I284 F287 A332 L335 L336 P339I264-F282 HydrophobicContact CG1-CZ 3.98Å; S279-F282 VanDerWaalsContact CB-CD2 3.44Å; S279-F282 WeakPolarHBondContact CB-O 3.39Å; S279-F282 VanDerWaalsContact OG-CD1 3.26Å; S279-F282 WeakPolarHBondContact OG-CD1 3.33Å; S279-F282 VanDerWaalsContact OG-CD2 3.32Å; S279-F282 WeakPolarHBondContact OG-CD2 3.4Å; S279-F282 WeakPolarHBondContact OG-CE1 3.4Å; S279-F282 WeakPolarHBondContact OG-CE2 3.33Å; S279-F282 VanDerWaalsContact OG-CG 3.22Å; S279-F282 WeakPolarHBondContact OG-CG 3.33Å; S279-F282 WeakPolarHBondContact OG-CZ 3.17Å; S279-F282 PolarHBondContact OG-N 3.4Å; S279-F282 PolarHBondContact OG-O 2.88Å; F282-I284 HydrophobicContact CE2-CD1 4.35Å; F282-I284 PolarHBondContact O-N 3.24Å; F282-I284 VanDerWaalsContact O-N 3.17Å; F282-F287 HydrophobicContact CD2-CB 4.4Å; F282-F287 HydrophobicContact CE2-CB 3.88Å; F282-F287 AromaticContact CE2-CD2 3.94Å; F282-F287 HydrophobicContact CE2-CD2 3.94Å; F282-F287 HydrophobicContact CE2-CG 4.2Å; F282-F287 HydrophobicContact CZ-CD2 4.14Å; F282-A332 HydrophobicContact CE1-CB 4.16Å; F282-A332 HydrophobicContact CZ-CB 4.14Å; F282-L335 HydrophobicContact CB-CB 3.9Å; F282-L335 HydrophobicContact CD1-CB 4.03Å; F282-L335 HydrophobicContact CD2-CB 4.12Å; F282-L335 HydrophobicContact CD2-CD1 3.9Å; F282-L335 HydrophobicContact CE2-CD1 4.19Å; F282-L335 HydrophobicContact CG-CB 3.77Å; F282-L335 HydrophobicContact CG-CD1 4.4Å; F282-L336 HydrophobicContact CD1-CD2 4.24Å; F282-L336 HydrophobicContact CD1-CG 4.32Å; F282-L336 HydrophobicContact CE1-CG 4.49Å; F282-P339 CarbonylContact C-O 3.6Å; F282-P339 VanDerWaalsContact CA-O 3.32Å; F282-P339 WeakPolarHBondContact CA-O 3.2Å; F282-P339 HydrophobicContact CB-CB 4.36Å; F282-P339 WeakPolarHBondContact CB-O 3.45Å
283N94.5Very high96.5Very high44 Ų4428.2 Ų28.224%0.23514%0.141CC..  trans-68.2111.7177.3-176.6-5.7000111.4Y285 S286 F287 P339N283-Y285 PolarHBondContact O-N 3.35Å; N283-Y285 WeakPolarHBondContact OD1-CB 3.43Å; N283-Y285 PolarHBondContact OD1-N 2.93Å; N283-S286 PolarHBondContact ND2-OG 3.45Å; N283-S286 WeakPolarHBondContact O-CB 3.45Å; N283-S286 PolarHBondContact O-N 3.5Å; N283-S286 VanDerWaalsContact O-N 3.1Å; N283-F287 PolarHBondContact O-N 3.29Å; N283-F287 VanDerWaalsContact O-N 3.14Å; N283-P339 PolarHBondContact N-O 2.91Å
284I96.3Very high96.4Very high3 Ų332.9 Ų32.92%0.01517%0.166CC..Hα-helixtrans-63-23.7179.6-165.763.7000113.4F277 F282 F287 Q288 P305 V307F277-I284 HydrophobicContact CD2-CD1 4.15Å; F277-I284 HydrophobicContact CE2-CD1 4.26Å; F282-I284 HydrophobicContact CE2-CD1 4.35Å; F282-I284 PolarHBondContact O-N 3.24Å; F282-I284 VanDerWaalsContact O-N 3.17Å; I284-F287 HydrophobicContact CD1-CB 4.23Å; I284-F287 HydrophobicContact CD1-CD1 4.28Å; I284-F287 HydrophobicContact CD1-CG 4.31Å; I284-F287 WeakPolarHBondContact O-CB 3.24Å; I284-F287 PolarHBondContact O-N 3.31Å; I284-Q288 PolarHBondContact O-N 3.05Å; I284-P305 HydrophobicContact CG2-CB 3.79Å; I284-V307 HydrophobicContact CD1-CG2 4.1Å; I284-V307 HydrophobicContact CG1-CG1 4.31Å; I284-V307 HydrophobicContact CG1-CG2 4.08Å
285Y95.4Very high96.3Very high6 Ų636.1 Ų36.12%0.02420%0.199CC..Hα-helixtrans-77-33.8175-53.6-43.6000112.1N283 F287 Q288 S289 F300 L301 P305 A347 Q354N283-Y285 PolarHBondContact O-N 3.35Å; N283-Y285 WeakPolarHBondContact OD1-CB 3.43Å; N283-Y285 PolarHBondContact OD1-N 2.93Å; Y285-F287 VanDerWaalsContact C-N 3.28Å; Y285-F287 PolarHBondContact O-N 3.36Å; Y285-Q288 WeakPolarHBondContact O-CB 3.36Å; Y285-Q288 PolarHBondContact O-N 3Å; Y285-S289 PolarHBondContact O-N 3.43Å; Y285-S289 PolarHBondContact O-OG 2.72Å; Y285-F300 AromaticContact CD1-CD1 3.57Å; Y285-F300 HydrophobicContact CD1-CD1 3.57Å; Y285-F300 AromaticContact CD1-CE1 3.97Å; Y285-F300 HydrophobicContact CD1-CE1 3.97Å; Y285-F300 HydrophobicContact CE1-CD1 4.13Å; Y285-F300 HydrophobicContact CG-CD1 4.39Å; Y285-F300 HydrophobicContact CG-CE1 4.43Å; Y285-L301 PolarHBondContact OH-O 3.44Å; Y285-L301 VanDerWaalsContact OH-O 3.1Å; Y285-P305 HydrophobicContact CE2-CB 4.3Å; Y285-P305 WeakPolarHBondContact OH-CA 3.45Å; Y285-P305 WeakPolarHBondContact OH-CB 3.44Å; Y285-A347 WeakPolarHBondContact O-CB 3.27Å; Y285-Q354 PolarHBondContact OH-NE2 3.1Å; Y285-Q354 PolarHBondContact OH-OE1 2.88Å; Y285-Q354 VanDerWaalsContact OH-OE1 3.08Å
286S94.5Very high96.3Very high8 Ų837.8 Ų37.86%0.05621%0.205CC..Hα-helixtrans-63.7-38.3169.8-55.90000110.8N283 S289 K290N283-S286 PolarHBondContact ND2-OG 3.45Å; N283-S286 WeakPolarHBondContact O-CB 3.45Å; N283-S286 PolarHBondContact O-N 3.5Å; N283-S286 VanDerWaalsContact O-N 3.1Å; S286-S289 PolarHBondContact O-N 3.14Å; S286-K290 WeakPolarHBondContact O-CG 3.45Å; S286-K290 PolarHBondContact O-N 3.18Å; S286-K290 VanDerWaalsContact O-N 3.1Å
287F96.1Very high96.1Very high0 Ų042.9 Ų42.90%024%0.24CC..Hα-helixtrans-58.5-47.2170.6178.3-80.4000111.5I264 F277 F282 N283 I284 Y285 S289 K290 M291 L298 A328 V331 A332 L335I264-F287 HydrophobicContact CD1-CE2 3.83Å; I264-F287 HydrophobicContact CD1-CZ 4.04Å; F277-F287 HydrophobicContact CE2-CD1 4.1Å; F277-F287 AromaticContact CE2-CE1 3.55Å; F277-F287 HydrophobicContact CE2-CE1 3.55Å; F277-F287 HydrophobicContact CE2-CZ 4.02Å; F277-F287 AromaticContact CZ-CE1 3.81Å; F277-F287 HydrophobicContact CZ-CE1 3.81Å; F277-F287 HydrophobicContact CZ-CZ 4.39Å; F282-F287 HydrophobicContact CD2-CB 4.4Å; F282-F287 HydrophobicContact CE2-CB 3.88Å; F282-F287 AromaticContact CE2-CD2 3.94Å; F282-F287 HydrophobicContact CE2-CD2 3.94Å; F282-F287 HydrophobicContact CE2-CG 4.2Å; F282-F287 HydrophobicContact CZ-CD2 4.14Å; N283-F287 PolarHBondContact O-N 3.29Å; N283-F287 VanDerWaalsContact O-N 3.14Å; I284-F287 HydrophobicContact CD1-CB 4.23Å; I284-F287 HydrophobicContact CD1-CD1 4.28Å; I284-F287 HydrophobicContact CD1-CG 4.31Å; I284-F287 WeakPolarHBondContact O-CB 3.24Å; I284-F287 PolarHBondContact O-N 3.31Å; Y285-F287 VanDerWaalsContact C-N 3.28Å; Y285-F287 PolarHBondContact O-N 3.36Å; F287-S289 PolarHBondContact O-N 3.18Å; F287-K290 PolarHBondContact O-N 3.35Å; F287-M291 HydrophobicContact CD1-CG 3.9Å; F287-M291 HydrophobicContact CE1-CG 3.44Å; F287-M291 VanDerWaalsContact CE1-CG 3.44Å; F287-M291 HydrophobicContact CE1-SD 4.32Å; F287-M291 HydrophobicContact CE2-CG 4.48Å; F287-M291 HydrophobicContact CZ-CG 3.77Å; F287-M291 HydrophobicContact CZ-SD 4.08Å; F287-M291 WeakPolarHBondContact O-CB 3.14Å; F287-M291 VanDerWaalsContact O-CG 3.28Å; F287-M291 WeakPolarHBondContact O-CG 3.23Å; F287-M291 PolarHBondContact O-N 3.38Å; F287-L298 HydrophobicContact CE1-CD1 4.11Å; F287-A328 HydrophobicContact CE2-CB 4.38Å; F287-A328 WeakPolarHBondContact CE2-O 3.34Å; F287-A328 HydrophobicContact CZ-CB 3.78Å; F287-V331 HydrophobicContact CB-CG1 4.44Å; F287-V331 HydrophobicContact CD2-CB 4.26Å; F287-V331 HydrophobicContact CD2-CG1 3.53Å; F287-V331 HydrophobicContact CE2-CB 4.11Å; F287-V331 HydrophobicContact CE2-CG1 3.88Å; F287-V331 HydrophobicContact CG-CG1 4.07Å; F287-A332 HydrophobicContact CE2-CB 4.23Å; F287-L335 VanDerWaalsContact CA-CD1 3.43Å; F287-L335 HydrophobicContact CB-CD1 3.59Å; F287-L335 HydrophobicContact CD2-CD1 4.21Å; F287-L335 HydrophobicContact CG-CD1 4.4Å
288Q95.8Very high96Very high11 Ų1143 Ų435%0.05124%0.241CC..Hα-helixtrans-55.6-50.7176.9-163.9-73.4-19.400111.3I284 Y285 K290 M291 S292 L298 F300 V307I284-Q288 PolarHBondContact O-N 3.05Å; Y285-Q288 WeakPolarHBondContact O-CB 3.36Å; Y285-Q288 PolarHBondContact O-N 3Å; Q288-K290 PolarHBondContact O-N 2.87Å; Q288-M291 WeakPolarHBondContact O-CB 3.03Å; Q288-M291 PolarHBondContact O-N 3.22Å; Q288-S292 PolarHBondContact NE2-OG 3.28Å; Q288-S292 PolarHBondContact O-N 3.28Å; Q288-S292 PolarHBondContact O-OG 2.84Å; Q288-L298 HydrophobicContact CG-CB 4.18Å; Q288-L298 PolarHBondContact NE2-O 3.08Å; Q288-L298 VanDerWaalsContact NE2-O 3.1Å; Q288-F300 HydrophobicContact CB-CD1 4.35Å; Q288-F300 HydrophobicContact CB-CE1 3.73Å; Q288-F300 HydrophobicContact CB-CZ 4.07Å; Q288-F300 HydrophobicContact CG-CD1 4.02Å; Q288-F300 HydrophobicContact CG-CD2 4.35Å; Q288-F300 HydrophobicContact CG-CE1 3.56Å; Q288-F300 HydrophobicContact CG-CE2 3.93Å; Q288-F300 HydrophobicContact CG-CG 4.41Å; Q288-F300 HydrophobicContact CG-CZ 3.55Å; Q288-V307 HydrophobicContact CB-CG1 3.75Å; Q288-V307 HydrophobicContact CG-CG1 3.71Å
289S94.1Very high96Very high26 Ų2645.7 Ų45.718%0.18226%0.255CS..Hα-helixtrans-63-43.2-175.5-68.70000112.2Y285 S286 F287 M291 S292 E293 A347Y285-S289 PolarHBondContact O-N 3.43Å; Y285-S289 PolarHBondContact O-OG 2.72Å; S286-S289 PolarHBondContact O-N 3.14Å; F287-S289 PolarHBondContact O-N 3.18Å; S289-M291 VanDerWaalsContact C-N 3.34Å; S289-M291 PolarHBondContact O-N 3.48Å; S289-S292 CarbonylContact O-C 3.08Å; S289-S292 WeakPolarHBondContact O-CA 3.37Å; S289-S292 WeakPolarHBondContact O-CB 3.12Å; S289-S292 PolarHBondContact O-N 3.41Å; S289-E293 WeakPolarHBondContact O-CG 3.49Å; S289-E293 PolarHBondContact O-N 2.93Å; S289-A347 WeakPolarHBondContact OG-CB 3.47Å
290K95.2Very high95.9Very high39 Ų3946.8 Ų46.817%0.1726%0.258CS..Hα-helixtrans-61.7-41.3174.3-74.5-179.5165-71.20112.5S286 F287 Q288 S292 E293 L294 V331 E334 L335S286-K290 WeakPolarHBondContact O-CG 3.45Å; S286-K290 PolarHBondContact O-N 3.18Å; S286-K290 VanDerWaalsContact O-N 3.1Å; F287-K290 PolarHBondContact O-N 3.35Å; Q288-K290 PolarHBondContact O-N 2.87Å; K290-S292 VanDerWaalsContact C-N 3.29Å; K290-S292 PolarHBondContact O-N 3.38Å; K290-E293 PolarHBondContact O-N 3.4Å; K290-L294 WeakPolarHBondContact O-CG 3.44Å; K290-L294 PolarHBondContact O-N 2.87Å; K290-V331 HydrophobicContact CB-CB 4.48Å; K290-V331 HydrophobicContact CB-CG1 3.61Å; K290-V331 HydrophobicContact CB-CG2 3.95Å; K290-V331 HydrophobicContact CD-CG1 3.95Å; K290-V331 HydrophobicContact CG-CG1 4.42Å; K290-E334 WeakPolarHBondContact CE-OE1 3.36Å; K290-E334 WeakPolarHBondContact CE-OE2 3.35Å; K290-E334 IonicContact NZ-OE1 3.5Å; K290-E334 PolarHBondContact NZ-OE1 3.03Å; K290-E334 IonicContact NZ-OE2 3.47Å; K290-E334 PolarHBondContact NZ-OE2 3.4Å; K290-L335 HydrophobicContact CD-CD1 4.41Å; K290-L335 HydrophobicContact CD-CD2 4.22Å; K290-L335 HydrophobicContact CD-CG 4.22Å
291M97.2Very high95.9Very high0 Ų039.5 Ų39.50%023%0.23CC..Hα-helixtrans-62.3-37.7172.7-70.1-63.3-73.400111.6F287 Q288 S289 L294 G295 W296 L298 F324 D327 A328 V331F287-M291 HydrophobicContact CD1-CG 3.9Å; F287-M291 HydrophobicContact CE1-CG 3.44Å; F287-M291 VanDerWaalsContact CE1-CG 3.44Å; F287-M291 HydrophobicContact CE1-SD 4.32Å; F287-M291 HydrophobicContact CE2-CG 4.48Å; F287-M291 HydrophobicContact CZ-CG 3.77Å; F287-M291 HydrophobicContact CZ-SD 4.08Å; F287-M291 WeakPolarHBondContact O-CB 3.14Å; F287-M291 VanDerWaalsContact O-CG 3.28Å; F287-M291 WeakPolarHBondContact O-CG 3.23Å; F287-M291 PolarHBondContact O-N 3.38Å; Q288-M291 WeakPolarHBondContact O-CB 3.03Å; Q288-M291 PolarHBondContact O-N 3.22Å; S289-M291 VanDerWaalsContact C-N 3.34Å; S289-M291 PolarHBondContact O-N 3.48Å; M291-L294 CarbonylContact O-C 3.49Å; M291-L294 WeakPolarHBondContact O-CB 3.34Å; M291-L294 PolarHBondContact O-N 2.93Å; M291-G295 PolarHBondContact O-N 3.07Å; M291-W296 HydrophobicContact CB-CB 4.11Å; M291-W296 HydrophobicContact CE-CB 4.31Å; M291-W296 HydrophobicContact CE-CD2 4.35Å; M291-W296 HydrophobicContact CE-CG 3.8Å; M291-W296 VanDerWaalsContact O-CB 3.27Å; M291-W296 WeakPolarHBondContact O-CB 3.43Å; M291-W296 PolarHBondContact O-N 3.06Å; M291-L298 HydrophobicContact CB-CD1 4.11Å; M291-L298 HydrophobicContact CG-CD1 4.23Å; M291-F324 HydrophobicContact CE-CD2 3.64Å; M291-F324 HydrophobicContact CE-CE2 3.46Å; M291-F324 VanDerWaalsContact CE-CE2 3.46Å; M291-F324 HydrophobicContact CE-CZ 4.39Å; M291-D327 HydrophobicContact CE-CB 4.16Å; M291-D327 HydrophobicContact SD-CB 4.17Å; M291-A328 HydrophobicContact CE-CB 4.09Å; M291-A328 HydrophobicContact SD-CB 4.39Å; M291-V331 HydrophobicContact SD-CB 4.27Å; M291-V331 HydrophobicContact SD-CG2 3.92Å
292S95.3Very high95.7Very high48 Ų4840.1 Ų40.134%0.33623%0.229SC..Hα-helixtrans-68.2-34.5175.5-72.70000114.2Q288 S289 K290 L294 G295 W296Q288-S292 PolarHBondContact NE2-OG 3.28Å; Q288-S292 PolarHBondContact O-N 3.28Å; Q288-S292 PolarHBondContact O-OG 2.84Å; S289-S292 CarbonylContact O-C 3.08Å; S289-S292 WeakPolarHBondContact O-CA 3.37Å; S289-S292 WeakPolarHBondContact O-CB 3.12Å; S289-S292 PolarHBondContact O-N 3.41Å; K290-S292 VanDerWaalsContact C-N 3.29Å; K290-S292 PolarHBondContact O-N 3.38Å; S292-L294 PolarHBondContact O-N 3.33Å; S292-G295 WeakPolarHBondContact O-CA 2.94Å; S292-G295 PolarHBondContact O-N 3.22Å; S292-W296 WeakPolarHBondContact CA-O 3.2Å; S292-W296 PolarHBondContact OG-O 2.78Å
293E95.4Very high95.5Very high151 Ų15144.6 Ų44.671%0.70625%0.25SC*.Hα-helixtrans-61.2-32.8170.6-70.1165.3-166.600111.8S289 K290 G295S289-E293 WeakPolarHBondContact O-CG 3.49Å; S289-E293 PolarHBondContact O-N 2.93Å; K290-E293 PolarHBondContact O-N 3.4Å; E293-G295 PolarHBondContact O-N 3.11Å
294L97.1Very high95.4Very high98 Ų9845 Ų4551%0.51326%0.255SS..THydrogen-bonded Turntrans-80.13.1172.8-61175000113.6K290 M291 S292 D327 V331K290-L294 WeakPolarHBondContact O-CG 3.44Å; K290-L294 PolarHBondContact O-N 2.87Å; M291-L294 CarbonylContact O-C 3.49Å; M291-L294 WeakPolarHBondContact O-CB 3.34Å; M291-L294 PolarHBondContact O-N 2.93Å; S292-L294 PolarHBondContact O-N 3.33Å; L294-D327 HydrophobicContact CD1-CB 3.84Å; L294-V331 HydrophobicContact CD1-CG2 3.93Å
295G96.6Very high95.3Very high68 Ų6847.5 Ų47.570%0.70127%0.272SS*.THydrogen-bonded Turntrans917.917800000115.2M291 S292 E293M291-G295 PolarHBondContact O-N 3.07Å; S292-G295 WeakPolarHBondContact O-CA 2.94Å; S292-G295 PolarHBondContact O-N 3.22Å; E293-G295 PolarHBondContact O-N 3.11Å
296W97.6Very high95.4Very high36 Ų3647.2 Ų47.214%0.13627%0.27CS..  trans-87128176.6-60.598.2000112.4M291 S292 F309 V320 A323 F324 D327M291-W296 HydrophobicContact CB-CB 4.11Å; M291-W296 HydrophobicContact CE-CB 4.31Å; M291-W296 HydrophobicContact CE-CD2 4.35Å; M291-W296 HydrophobicContact CE-CG 3.8Å; M291-W296 VanDerWaalsContact O-CB 3.27Å; M291-W296 WeakPolarHBondContact O-CB 3.43Å; M291-W296 PolarHBondContact O-N 3.06Å; S292-W296 WeakPolarHBondContact CA-O 3.2Å; S292-W296 PolarHBondContact OG-O 2.78Å; W296-F309 HydrophobicContact CE3-CE2 4.39Å; W296-F309 HydrophobicContact CE3-CZ 4.06Å; W296-F309 AromaticContact CZ3-CZ 3.9Å; W296-F309 HydrophobicContact CZ3-CZ 3.9Å; W296-V320 HydrophobicContact CH2-CG1 4.02Å; W296-V320 WeakPolarHBondContact CH2-O 3.24Å; W296-V320 HydrophobicContact CZ3-CG1 4.15Å; W296-A323 HydrophobicContact CH2-CB 4.5Å; W296-A323 HydrophobicContact CZ2-CB 4.13Å; W296-F324 AromaticContact CD2-CD2 3.82Å; W296-F324 HydrophobicContact CD2-CD2 3.82Å; W296-F324 HydrophobicContact CE3-CB 4.44Å; W296-F324 AromaticContact CE3-CD2 3.71Å; W296-F324 HydrophobicContact CE3-CD2 3.71Å; W296-F324 HydrophobicContact CG-CD2 4.42Å; W296-F324 HydrophobicContact CH2-CB 3.51Å; W296-F324 HydrophobicContact CH2-CD2 4.3Å; W296-F324 HydrophobicContact CH2-CG 4.4Å; W296-F324 HydrophobicContact CZ2-CB 3.79Å; W296-F324 HydrophobicContact CZ2-CD2 4.37Å; W296-F324 VanDerWaalsContact CZ2-N 3.31Å; W296-F324 HydrophobicContact CZ3-CB 3.86Å; W296-F324 AromaticContact CZ3-CD2 3.96Å; W296-F324 HydrophobicContact CZ3-CD2 3.96Å; W296-F324 HydrophobicContact CZ3-CG 4.32Å; W296-D327 PolarHBondContact NE1-OD2 3.36Å
297C94.5Very high95.6Very high107 Ų10746.9 Ų46.972%0.72327%0.268SS*.  trans-98.2100171.6-167.70000110
298L97.3Very high95.7Very high3 Ų346.9 Ų46.92%0.01627%0.268CS..PPolyproline II helixtrans-103.1142.5172.3-53.9-177.9000109.7F277 F287 Q288 M291 V307 F309 F324F277-L298 HydrophobicContact CZ-CD1 4.22Å; F287-L298 HydrophobicContact CE1-CD1 4.11Å; Q288-L298 HydrophobicContact CG-CB 4.18Å; Q288-L298 PolarHBondContact NE2-O 3.08Å; Q288-L298 VanDerWaalsContact NE2-O 3.1Å; M291-L298 HydrophobicContact CB-CD1 4.11Å; M291-L298 HydrophobicContact CG-CD1 4.23Å; L298-V307 HydrophobicContact CB-CB 4.37Å; L298-V307 HydrophobicContact CD1-CG2 4.26Å; L298-F309 HydrophobicContact CD2-CB 3.91Å; L298-F309 HydrophobicContact CD2-CD2 3.44Å; L298-F309 VanDerWaalsContact CD2-CD2 3.44Å; L298-F309 HydrophobicContact CD2-CE2 4.16Å; L298-F309 HydrophobicContact CD2-CG 3.88Å; L298-F324 HydrophobicContact CD1-CE2 4.39Å; L298-F324 HydrophobicContact CD2-CE2 3.86Å; L298-F324 HydrophobicContact CD2-CZ 4.33Å
299N96.7Very high95.8Very high61 Ų6146.8 Ų46.833%0.32627%0.267SS..EExtended strand (participates in β ladder)trans-81.2134.7175.2-61.6-70.9000110.2Y114 V307 H308Y114-N299 VanDerWaalsContact OH-CG 3.27Å; Y114-N299 PolarHBondContact OH-ND2 2.84Å; Y114-N299 PolarHBondContact OH-OD1 3.5Å; N299-V307 CarbonylContact O-C 3.58Å; N299-V307 WeakPolarHBondContact O-CA 3.35Å; N299-V307 WeakPolarHBondContact O-CB 3.3Å; N299-H308 VanDerWaalsContact CB-CD2 3.48Å; N299-H308 WeakPolarHBondContact CB-CD2 3.33Å; N299-H308 WeakPolarHBondContact CB-NE2 3.21Å; N299-H308 PolarHBondContact N-O 3.18Å; N299-H308 PolarHBondContact ND2-CD2 3.28Å; N299-H308 VanDerWaalsContact ND2-CD2 3.27Å; N299-H308 PolarHBondContact ND2-NE2 3.08Å; N299-H308 PolarHBondContact O-N 2.98Å
300F95.7Very high96Very high34 Ų3447.1 Ų47.115%0.14927%0.269CS..EExtended strand (participates in β ladder)trans-71.9138.3170-66.2-90.9000110.9Y285 Q288 T346 Y350Y285-F300 AromaticContact CD1-CD1 3.57Å; Y285-F300 HydrophobicContact CD1-CD1 3.57Å; Y285-F300 AromaticContact CD1-CE1 3.97Å; Y285-F300 HydrophobicContact CD1-CE1 3.97Å; Y285-F300 HydrophobicContact CE1-CD1 4.13Å; Y285-F300 HydrophobicContact CG-CD1 4.39Å; Y285-F300 HydrophobicContact CG-CE1 4.43Å; Q288-F300 HydrophobicContact CB-CD1 4.35Å; Q288-F300 HydrophobicContact CB-CE1 3.73Å; Q288-F300 HydrophobicContact CB-CZ 4.07Å; Q288-F300 HydrophobicContact CG-CD1 4.02Å; Q288-F300 HydrophobicContact CG-CD2 4.35Å; Q288-F300 HydrophobicContact CG-CE1 3.56Å; Q288-F300 HydrophobicContact CG-CE2 3.93Å; Q288-F300 HydrophobicContact CG-CG 4.41Å; Q288-F300 HydrophobicContact CG-CZ 3.55Å; F300-T346 HydrophobicContact CD2-CG2 4.21Å; F300-T346 HydrophobicContact CE2-CG2 3.52Å; F300-T346 HydrophobicContact CZ-CG2 3.71Å; F300-Y350 HydrophobicContact CB-CD1 3.84Å; F300-Y350 HydrophobicContact CB-CD2 3.82Å; F300-Y350 HydrophobicContact CB-CE1 3.63Å; F300-Y350 HydrophobicContact CB-CE2 3.63Å; F300-Y350 HydrophobicContact CB-CG 3.94Å; F300-Y350 AromaticContact CD1-CD2 3.53Å; F300-Y350 HydrophobicContact CD1-CD2 3.53Å; F300-Y350 HydrophobicContact CD1-CE2 4.04Å; F300-Y350 AromaticContact CD1-CG 3.84Å; F300-Y350 HydrophobicContact CD1-CG 3.84Å; F300-Y350 AromaticContact CD2-CD2 3.82Å; F300-Y350 HydrophobicContact CD2-CD2 3.82Å; F300-Y350 AromaticContact CD2-CE2 3.46Å; F300-Y350 HydrophobicContact CD2-CE2 3.46Å; F300-Y350 VanDerWaalsContact CD2-CE2 3.46Å; F300-Y350 AromaticContact CE1-CD2 3.92Å; F300-Y350 HydrophobicContact CE1-CD2 3.92Å; F300-Y350 HydrophobicContact CE1-CG 4.49Å; F300-Y350 HydrophobicContact CE2-CD2 4.18Å; F300-Y350 HydrophobicContact CE2-CE2 4.02Å; F300-Y350 HydrophobicContact CG-CD1 4.36Å; F300-Y350 AromaticContact CG-CD2 3.45Å; F300-Y350 HydrophobicContact CG-CD2 3.45Å; F300-Y350 VanDerWaalsContact CG-CD2 3.45Å; F300-Y350 HydrophobicContact CG-CE1 4.34Å; F300-Y350 AromaticContact CG-CE2 3.45Å; F300-Y350 HydrophobicContact CG-CE2 3.45Å; F300-Y350 VanDerWaalsContact CG-CE2 3.45Å; F300-Y350 AromaticContact CG-CG 3.95Å; F300-Y350 HydrophobicContact CG-CG 3.95Å; F300-Y350 AromaticContact CG-CZ 3.91Å; F300-Y350 HydrophobicContact CZ-CD2 4.18Å; F300-Y350 HydrophobicContact CZ-CE2 4.49Å
301L95.6Very high96.2Very high11 Ų1145.3 Ų45.36%0.05826%0.261CS..EExtended strand (participates in β ladder)trans-117.8164.3171.5-53.4179000109.9P115 A276 Y285 G306 H308P115-L301 HydrophobicContact CB-CD2 4.24Å; P115-L301 VanDerWaalsContact O-CD1 3.3Å; P115-L301 WeakPolarHBondContact O-CD1 3.41Å; A276-L301 HydrophobicContact CB-CD1 3.86Å; Y285-L301 PolarHBondContact OH-O 3.44Å; Y285-L301 VanDerWaalsContact OH-O 3.1Å; L301-G306 WeakPolarHBondContact CA-O 3.36Å; L301-G306 WeakPolarHBondContact CB-O 3.47Å; L301-G306 PolarHBondContact N-O 3.07Å; L301-H308 HydrophobicContact CD1-CB 4.15Å
302Q93.7Very high96.2Very high79 Ų7947.6 Ų47.637%0.36928%0.276SS..THydrogen-bonded Turntrans-146.8156.4177.265.1-174-53.400110.4P304 Q354Q302-P304 CarbonylContact C-O 3.47Å; Q302-P304 WeakPolarHBondContact CA-O 3.3Å; Q302-Q354 VanDerWaalsContact CB-CD 3.49Å; Q302-Q354 HydrophobicContact CB-CG 3.94Å
303Q90.6Very high96.4Very high103 Ų10347.9 Ų47.948%0.48127%0.273SS..THydrogen-bonded Turntrans54.464.3177.9-58.7-177.2-36.900113.1F47F47-Q303 HydrophobicContact CE1-CB 4.12Å; F47-Q303 HydrophobicContact CZ-CB 4.1Å
304P93.2Very high96.5Very high54 Ų5446 Ų4635%0.35127%0.268SS..THydrogen-bonded Turncis-89.7170.47.335.2-36.8000113.9F267 Q302 G306F267-P304 HydrophobicContact CE1-CG 3.49Å; F267-P304 VanDerWaalsContact CE1-CG 3.49Å; F267-P304 HydrophobicContact CZ-CB 4.49Å; F267-P304 HydrophobicContact CZ-CG 3.56Å; Q302-P304 CarbonylContact C-O 3.47Å; Q302-P304 WeakPolarHBondContact CA-O 3.3Å; P304-G306 PolarHBondContact O-N 2.87Å
305P94.9Very high96.5Very high55 Ų5543 Ų4336%0.35725%0.251SS..THydrogen-bonded Turntrans-51.6134.7171-26.833000113T278 I284 Y285T278-P305 WeakPolarHBondContact CB-O 3.46Å; T278-P305 PolarHBondContact OG1-O 3.22Å; I284-P305 HydrophobicContact CG2-CB 3.79Å; Y285-P305 HydrophobicContact CE2-CB 4.3Å; Y285-P305 WeakPolarHBondContact OH-CA 3.45Å; Y285-P305 WeakPolarHBondContact OH-CB 3.44Å
306G96.7Very high96.6Very high0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-174.2173.818000000112.9F277 L301 P304F277-G306 WeakPolarHBondContact O-CA 3.46Å; L301-G306 WeakPolarHBondContact CA-O 3.36Å; L301-G306 WeakPolarHBondContact CB-O 3.47Å; L301-G306 PolarHBondContact N-O 3.07Å; P304-G306 PolarHBondContact O-N 2.87Å
307V98.1Very high96.6Very high0 Ų048.5 Ų48.50%026%0.255CS..EExtended strand (participates in β ladder)trans-132.5161.2165.8-67.60000109A276 F277 I284 Q288 L298 N299A276-V307 CarbonylContact C-O 3.6Å; A276-V307 WeakPolarHBondContact CA-O 3.38Å; F277-V307 HydrophobicContact CD1-CG2 4.29Å; F277-V307 HydrophobicContact CD2-CG2 3.9Å; F277-V307 HydrophobicContact CE1-CG2 3.86Å; F277-V307 HydrophobicContact CE2-CG2 3.44Å; F277-V307 VanDerWaalsContact CE2-CG2 3.44Å; F277-V307 HydrophobicContact CG-CG2 4.32Å; F277-V307 HydrophobicContact CZ-CG2 3.42Å; F277-V307 VanDerWaalsContact CZ-CG2 3.42Å; F277-V307 PolarHBondContact N-O 2.87Å; F277-V307 PolarHBondContact O-N 3.46Å; F277-V307 VanDerWaalsContact O-O 3.14Å; I284-V307 HydrophobicContact CD1-CG2 4.1Å; I284-V307 HydrophobicContact CG1-CG1 4.31Å; I284-V307 HydrophobicContact CG1-CG2 4.08Å; Q288-V307 HydrophobicContact CB-CG1 3.75Å; Q288-V307 HydrophobicContact CG-CG1 3.71Å; L298-V307 HydrophobicContact CB-CB 4.37Å; L298-V307 HydrophobicContact CD1-CG2 4.26Å; N299-V307 CarbonylContact O-C 3.58Å; N299-V307 WeakPolarHBondContact O-CA 3.35Å; N299-V307 WeakPolarHBondContact O-CB 3.3Å
308H98.3Very high96.8Very high0 Ų052.6 Ų52.60%026%0.264CS..EExtended strand (participates in β ladder)trans-131.6160.5164.471.5-157.1000113.3Y114 P115 V274 V275 A276 N299 L301Y114-H308 AromaticContact CD1-CE1 3.87Å; Y114-H308 AromaticContact CE1-CE1 3.49Å; Y114-H308 VanDerWaalsContact CE1-CE1 3.49Å; Y114-H308 WeakPolarHBondContact CE1-CE1 3.29Å; Y114-H308 AromaticContact CE2-CE1 3.67Å; Y114-H308 AromaticContact CE2-NE2 3.83Å; Y114-H308 AromaticContact CZ-CE1 3.39Å; Y114-H308 AromaticContact CZ-NE2 3.54Å; Y114-H308 PolarHBondContact O-CE1 2.9Å; Y114-H308 PolarHBondContact O-ND1 3.49Å; Y114-H308 VanDerWaalsContact O-ND1 3.13Å; P115-H308 PolarHBondContact O-ND1 3.27Å; V274-H308 HydrophobicContact CG1-CB 3.92Å; V275-H308 WeakPolarHBondContact O-CA 3.45Å; V275-H308 WeakPolarHBondContact O-CB 3.47Å; A276-H308 HydrophobicContact CB-CB 3.74Å; N299-H308 VanDerWaalsContact CB-CD2 3.48Å; N299-H308 WeakPolarHBondContact CB-CD2 3.33Å; N299-H308 WeakPolarHBondContact CB-NE2 3.21Å; N299-H308 PolarHBondContact N-O 3.18Å; N299-H308 PolarHBondContact ND2-CD2 3.28Å; N299-H308 VanDerWaalsContact ND2-CD2 3.27Å; N299-H308 PolarHBondContact ND2-NE2 3.08Å; N299-H308 PolarHBondContact O-N 2.98Å; L301-H308 HydrophobicContact CD1-CB 4.15Å
309F98.4Very high96.8Very high10 Ų1054.2 Ų54.24%0.04428%0.281CS..EExtended strand (participates in β ladder)trans-120.6120.8168.5-165.2-139.3000109.7I254 V275 W296 L298 Q315 F324I254-F309 HydrophobicContact CD1-CD1 3.91Å; I254-F309 HydrophobicContact CD1-CE1 3.93Å; V275-F309 PolarHBondContact N-O 2.87Å; V275-F309 PolarHBondContact O-N 3Å; W296-F309 HydrophobicContact CE3-CE2 4.39Å; W296-F309 HydrophobicContact CE3-CZ 4.06Å; W296-F309 AromaticContact CZ3-CZ 3.9Å; W296-F309 HydrophobicContact CZ3-CZ 3.9Å; L298-F309 HydrophobicContact CD2-CB 3.91Å; L298-F309 HydrophobicContact CD2-CD2 3.44Å; L298-F309 VanDerWaalsContact CD2-CD2 3.44Å; L298-F309 HydrophobicContact CD2-CE2 4.16Å; L298-F309 HydrophobicContact CD2-CG 3.88Å; F309-Q315 HydrophobicContact CE1-CG 3.83Å; F309-Q315 HydrophobicContact CE2-CG 4.24Å; F309-Q315 HydrophobicContact CZ-CG 3.42Å; F309-Q315 VanDerWaalsContact CZ-CG 3.42Å; F309-F324 HydrophobicContact CB-CZ 4.31Å; F309-F324 HydrophobicContact CD1-CD1 4.2Å; F309-F324 HydrophobicContact CD1-CD2 4.34Å; F309-F324 HydrophobicContact CD1-CE1 4.07Å; F309-F324 HydrophobicContact CD1-CE2 4.23Å; F309-F324 HydrophobicContact CD1-CG 4.33Å; F309-F324 HydrophobicContact CD1-CZ 4.09Å; F309-F324 HydrophobicContact CE1-CD1 4.3Å; F309-F324 HydrophobicContact CE1-CD2 4.14Å; F309-F324 HydrophobicContact CE1-CE2 4.46Å; F309-F324 HydrophobicContact CE1-CG 4.06Å; F309-F324 HydrophobicContact CG-CE2 4.38Å; F309-F324 HydrophobicContact CG-CZ 4.29Å; F309-F324 HydrophobicContact CZ-CD2 4.46Å
310C98.2Very high96.9Very high33 Ų3353.2 Ų53.222%0.22328%0.277CS..EExtended strand (participates in β ladder)trans-97.9108.3-179.9-1750000109.5Y178 V274 T312Y178-C310 PolarHBondContact OH-SG 3.34Å; V274-C310 HydrophobicContact CG2-CB 4.05Å; C310-T312 PolarHBondContact O-N 3.12Å
311V98.6Very high97Very high0 Ų052.1 Ų52.10%028%0.275CS..  trans-73.3124.8-179.6-1790000109.9Y178 I247 T250 A251 I254 S273 Q315 T316Y178-V311 WeakPolarHBondContact CE1-O 3.4Å; Y178-V311 PolarHBondContact OH-O 2.91Å; I247-V311 HydrophobicContact CB-CG1 4.49Å; I247-V311 HydrophobicContact CG2-CB 4.31Å; I247-V311 HydrophobicContact CG2-CG1 4.07Å; T250-V311 HydrophobicContact CG2-CG1 3.71Å; T250-V311 HydrophobicContact CG2-CG2 4.37Å; A251-V311 HydrophobicContact CB-CB 4.34Å; A251-V311 HydrophobicContact CB-CG2 3.99Å; I254-V311 HydrophobicContact CD1-CG2 3.87Å; S273-V311 WeakPolarHBondContact CB-O 3.3Å; S273-V311 WeakPolarHBondContact O-CB 3.42Å; S273-V311 WeakPolarHBondContact O-CG2 3.42Å; S273-V311 PolarHBondContact O-N 2.81Å; V311-Q315 HydrophobicContact CG1-CB 4.02Å; V311-T316 HydrophobicContact CG1-CG2 4.42Å
312T98.5Very high97.1Very high49 Ų4958.3 Ų58.330%0.30130%0.301SS..  trans-119.2-179.6168.977.10000109.3C310 N314 Q315 T316C310-T312 PolarHBondContact O-N 3.12Å; T312-N314 PolarHBondContact O-N 3.43Å; T312-N314 VanDerWaalsContact O-N 3.12Å; T312-N314 PolarHBondContact OG1-N 3.41Å; T312-Q315 PolarHBondContact O-N 3.48Å; T312-Q315 PolarHBondContact O-OE1 3.12Å; T312-Q315 PolarHBondContact OG1-OE1 2.84Å; T312-T316 PolarHBondContact O-N 3.13Å
313L97.9Very high97.4Very high54 Ų5455.9 Ų55.928%0.28330%0.295SS..G310 helixtrans-57.2-25.1174.5-75.2176.1000113.4Y180 F235 A243 I247 Q315 T316Y180-L313 HydrophobicContact CD1-CD1 4.16Å; Y180-L313 HydrophobicContact CE1-CD1 3.63Å; Y180-L313 HydrophobicContact CE1-CG 3.99Å; Y180-L313 HydrophobicContact CE2-CD1 4.39Å; F235-L313 HydrophobicContact CE1-CD1 4.44Å; F235-L313 HydrophobicContact CZ-CD1 4.48Å; A243-L313 HydrophobicContact CB-CD1 4.31Å; A243-L313 HydrophobicContact CB-CD2 3.92Å; A243-L313 HydrophobicContact CB-CG 4.47Å; I247-L313 HydrophobicContact CD1-CD2 4.35Å; I247-L313 HydrophobicContact CD1-CG 4.3Å; I247-L313 HydrophobicContact CG1-CD2 4.36Å; L313-Q315 VanDerWaalsContact C-N 3.29Å; L313-Q315 PolarHBondContact O-N 3.42Å; L313-T316 PolarHBondContact O-N 3.02Å; L313-T316 PolarHBondContact O-OG1 3.44Å
314N97.6Very high97.8Very high110 Ų11051 Ų5159%0.58827%0.272SS*.G310 helixtrans-64.8-36.4176.6-70.5-21.4000112T312 T316 R317T312-N314 PolarHBondContact O-N 3.43Å; T312-N314 VanDerWaalsContact O-N 3.12Å; T312-N314 PolarHBondContact OG1-N 3.41Å; N314-T316 VanDerWaalsContact C-N 3.31Å; N314-R317 WeakPolarHBondContact O-CD 3.32Å; N314-R317 WeakPolarHBondContact O-CG 3.43Å
315Q98.1Very high98Very high36 Ų3649.3 Ų49.317%0.16826%0.259CS..G310 helixtrans-81-12-179.9-70.173.628.500112.9F309 V311 T312 L313 R317 V320F309-Q315 HydrophobicContact CE1-CG 3.83Å; F309-Q315 HydrophobicContact CE2-CG 4.24Å; F309-Q315 HydrophobicContact CZ-CG 3.42Å; F309-Q315 VanDerWaalsContact CZ-CG 3.42Å; V311-Q315 HydrophobicContact CG1-CB 4.02Å; T312-Q315 PolarHBondContact O-N 3.48Å; T312-Q315 PolarHBondContact O-OE1 3.12Å; T312-Q315 PolarHBondContact OG1-OE1 2.84Å; L313-Q315 VanDerWaalsContact C-N 3.29Å; L313-Q315 PolarHBondContact O-N 3.42Å; Q315-R317 VanDerWaalsContact C-N 3.26Å; Q315-V320 HydrophobicContact CB-CG1 4.45Å; Q315-V320 HydrophobicContact CG-CG1 4.42Å
316T98.5Very high98.2Very high41 Ų4153.6 Ų53.625%0.25227%0.268SS..G310 helixtrans-82.7-5.417572.30000112.7I247 V311 T312 L313 N314I247-T316 HydrophobicContact CG1-CG2 3.95Å; V311-T316 HydrophobicContact CG1-CG2 4.42Å; T312-T316 PolarHBondContact O-N 3.13Å; L313-T316 PolarHBondContact O-N 3.02Å; L313-T316 PolarHBondContact O-OG1 3.44Å; N314-T316 VanDerWaalsContact C-N 3.31Å
317R98.1Very high98.3Very high179 Ų17954.4 Ų54.468%0.67527%0.273SS*.SBendtrans-61.5147.5173.2-66.817565.6-179.7-0.2110.3N314 Q315 G319 V320N314-R317 WeakPolarHBondContact O-CD 3.32Å; N314-R317 WeakPolarHBondContact O-CG 3.43Å; Q315-R317 VanDerWaalsContact C-N 3.26Å; R317-G319 PolarHBondContact O-N 3.13Å; R317-V320 HydrophobicContact CB-CG2 3.86Å; R317-V320 PolarHBondContact O-N 2.95Å
318E97.4Very high98.3Very high193 Ų19354.4 Ų54.490%0.90227%0.273SS*.THydrogen-bonded Turntrans-55.1138.2-179.3-172.5171.1-170.700111.5V320E318-V320 PolarHBondContact O-N 3.48Å; E318-V320 VanDerWaalsContact O-N 3.09Å
319G97.8Very high98.4Very high37 Ų3757.5 Ų57.538%0.38129%0.29SS..THydrogen-bonded Turntrans80.5-28.617800000115.5R317 A321 K322 A323R317-G319 PolarHBondContact O-N 3.13Å; G319-A321 PolarHBondContact O-N 3.39Å; G319-K322 PolarHBondContact O-N 3.19Å; G319-A323 PolarHBondContact O-N 2.98Å
320V98.5Very high98.4Very high39 Ų3960.9 Ų60.924%0.23631%0.308CS..Hα-helixtrans-58.8-50.7-172.4178.90000112.3W296 Q315 R317 E318 K322 A323 F324W296-V320 HydrophobicContact CH2-CG1 4.02Å; W296-V320 WeakPolarHBondContact CH2-O 3.24Å; W296-V320 HydrophobicContact CZ3-CG1 4.15Å; Q315-V320 HydrophobicContact CB-CG1 4.45Å; Q315-V320 HydrophobicContact CG-CG1 4.42Å; R317-V320 HydrophobicContact CB-CG2 3.86Å; R317-V320 PolarHBondContact O-N 2.95Å; E318-V320 PolarHBondContact O-N 3.48Å; E318-V320 VanDerWaalsContact O-N 3.09Å; V320-K322 VanDerWaalsContact C-N 3.28Å; V320-K322 PolarHBondContact O-N 3.43Å; V320-A323 PolarHBondContact O-N 3.3Å; V320-F324 PolarHBondContact O-N 3.15Å
321A98.5Very high98.3Very high12 Ų1259.6 Ų59.610%0.09930%0.299CS..Hα-helixtrans-66.2-29.2178.900000113.1T250 Y253 I254 G319 I325T250-A321 HydrophobicContact CG2-CB 3.86Å; Y253-A321 HydrophobicContact CD1-CB 3.93Å; Y253-A321 HydrophobicContact CE1-CB 4.16Å; I254-A321 HydrophobicContact CD1-CB 4.16Å; I254-A321 HydrophobicContact CG1-CB 4.07Å; G319-A321 PolarHBondContact O-N 3.39Å; A321-I325 VanDerWaalsContact O-CG1 3.31Å; A321-I325 WeakPolarHBondContact O-CG1 3.36Å; A321-I325 PolarHBondContact O-N 3.29Å
322K98.5Very high98.3Very high141 Ų14159.6 Ų59.661%0.61330%0.299SS*.Hα-helixtrans-72.8-43.7176-67.1179.8-178.3173.30110.8G319 V320 I325 R326G319-K322 PolarHBondContact O-N 3.19Å; V320-K322 VanDerWaalsContact C-N 3.28Å; V320-K322 PolarHBondContact O-N 3.43Å; K322-I325 PolarHBondContact O-N 3.46Å; K322-R326 PolarHBondContact O-N 3.22Å
323A98.7Very high98.3Very high28 Ų2862.5 Ų62.523%0.23131%0.309CS..Hα-helixtrans-59.6-46.8174.800000110.8W296 G319 V320 I325 R326 D327W296-A323 HydrophobicContact CH2-CB 4.5Å; W296-A323 HydrophobicContact CZ2-CB 4.13Å; G319-A323 PolarHBondContact O-N 2.98Å; V320-A323 PolarHBondContact O-N 3.3Å; A323-I325 VanDerWaalsContact C-N 3.3Å; A323-I325 PolarHBondContact O-N 2.9Å; A323-R326 PolarHBondContact O-N 3.43Å; A323-D327 VanDerWaalsContact O-CG 3.23Å; A323-D327 PolarHBondContact O-N 3.17Å
324F98.8Very high98.3Very high0 Ų064.3 Ų64.30%032%0.316CS..Hα-helixtrans-54.1-46.1175.7177.6-106.5000112.4I254 L258 F277 M291 W296 L298 F309 V320 A328I254-F324 HydrophobicContact CD1-CD1 4.42Å; I254-F324 HydrophobicContact CG1-CD1 4.38Å; I254-F324 HydrophobicContact CG2-CD1 4.01Å; I254-F324 HydrophobicContact CG2-CE1 3.75Å; L258-F324 HydrophobicContact CD1-CE1 4.25Å; L258-F324 HydrophobicContact CD2-CE1 4.09Å; L258-F324 HydrophobicContact CG-CE1 4.41Å; F277-F324 HydrophobicContact CE1-CZ 4.37Å; F277-F324 HydrophobicContact CZ-CZ 4.27Å; M291-F324 HydrophobicContact CE-CD2 3.64Å; M291-F324 HydrophobicContact CE-CE2 3.46Å; M291-F324 VanDerWaalsContact CE-CE2 3.46Å; M291-F324 HydrophobicContact CE-CZ 4.39Å; W296-F324 AromaticContact CD2-CD2 3.82Å; W296-F324 HydrophobicContact CD2-CD2 3.82Å; W296-F324 HydrophobicContact CE3-CB 4.44Å; W296-F324 AromaticContact CE3-CD2 3.71Å; W296-F324 HydrophobicContact CE3-CD2 3.71Å; W296-F324 HydrophobicContact CG-CD2 4.42Å; W296-F324 HydrophobicContact CH2-CB 3.51Å; W296-F324 HydrophobicContact CH2-CD2 4.3Å; W296-F324 HydrophobicContact CH2-CG 4.4Å; W296-F324 HydrophobicContact CZ2-CB 3.79Å; W296-F324 HydrophobicContact CZ2-CD2 4.37Å; W296-F324 VanDerWaalsContact CZ2-N 3.31Å; W296-F324 HydrophobicContact CZ3-CB 3.86Å; W296-F324 AromaticContact CZ3-CD2 3.96Å; W296-F324 HydrophobicContact CZ3-CD2 3.96Å; W296-F324 HydrophobicContact CZ3-CG 4.32Å; L298-F324 HydrophobicContact CD1-CE2 4.39Å; L298-F324 HydrophobicContact CD2-CE2 3.86Å; L298-F324 HydrophobicContact CD2-CZ 4.33Å; F309-F324 HydrophobicContact CB-CZ 4.31Å; F309-F324 HydrophobicContact CD1-CD1 4.2Å; F309-F324 HydrophobicContact CD1-CD2 4.34Å; F309-F324 HydrophobicContact CD1-CE1 4.07Å; F309-F324 HydrophobicContact CD1-CE2 4.23Å; F309-F324 HydrophobicContact CD1-CG 4.33Å; F309-F324 HydrophobicContact CD1-CZ 4.09Å; F309-F324 HydrophobicContact CE1-CD1 4.3Å; F309-F324 HydrophobicContact CE1-CD2 4.14Å; F309-F324 HydrophobicContact CE1-CE2 4.46Å; F309-F324 HydrophobicContact CE1-CG 4.06Å; F309-F324 HydrophobicContact CG-CE2 4.38Å; F309-F324 HydrophobicContact CG-CZ 4.29Å; F309-F324 HydrophobicContact CZ-CD2 4.46Å; V320-F324 PolarHBondContact O-N 3.15Å; F324-A328 WeakPolarHBondContact O-CB 3.38Å; F324-A328 PolarHBondContact O-N 2.63Å
325I98.7Very high98.2Very high18 Ų1859.2 Ų59.29%0.09229%0.289CS..Hα-helixtrans-70-36.6-179-69.6-57.2000112.6Y253 I254 K257 L258 A321 K322 A323 N329Y253-I325 HydrophobicContact CE1-CG1 3.93Å; I254-I325 HydrophobicContact CG2-CD1 4.32Å; K257-I325 HydrophobicContact CB-CB 4.34Å; K257-I325 HydrophobicContact CB-CD1 3.5Å; K257-I325 VanDerWaalsContact CB-CD1 3.5Å; K257-I325 HydrophobicContact CB-CG1 3.65Å; K257-I325 HydrophobicContact CB-CG2 3.72Å; K257-I325 HydrophobicContact CD-CG2 4.34Å; K257-I325 HydrophobicContact CG-CG1 4.22Å; K257-I325 HydrophobicContact CG-CG2 4.15Å; L258-I325 HydrophobicContact CD2-CD1 4.03Å; L258-I325 HydrophobicContact CG-CD1 3.95Å; A321-I325 VanDerWaalsContact O-CG1 3.31Å; A321-I325 WeakPolarHBondContact O-CG1 3.36Å; A321-I325 PolarHBondContact O-N 3.29Å; K322-I325 PolarHBondContact O-N 3.46Å; A323-I325 VanDerWaalsContact C-N 3.3Å; A323-I325 PolarHBondContact O-N 2.9Å; I325-N329 WeakPolarHBondContact O-CB 3.44Å; I325-N329 PolarHBondContact O-N 3.49Å
326R98.7Very high98.2Very high145 Ų14560.2 Ų60.255%0.54730%0.295SS..Hα-helixtrans-62-55.4174.2178.5-163.463-159.5-3.1109.8K322 A323 A328 N329 D330K322-R326 PolarHBondContact O-N 3.22Å; A323-R326 PolarHBondContact O-N 3.43Å; R326-A328 VanDerWaalsContact C-N 3.3Å; R326-A328 PolarHBondContact O-N 3.31Å; R326-N329 WeakPolarHBondContact O-CA 3.39Å; R326-N329 WeakPolarHBondContact O-CB 3.5Å; R326-N329 PolarHBondContact O-N 3.02Å; R326-D330 VanDerWaalsContact O-CG 3.29Å; R326-D330 PolarHBondContact O-N 3.44Å
327D98.7Very high98.1Very high18 Ų1865.8 Ų65.810%0.09632%0.318CS..Hα-helixtrans-61.3-40.7-177.4-60.8-4.1000111M291 L294 W296 A323 N329 D330 V331M291-D327 HydrophobicContact CE-CB 4.16Å; M291-D327 HydrophobicContact SD-CB 4.17Å; L294-D327 HydrophobicContact CD1-CB 3.84Å; W296-D327 PolarHBondContact NE1-OD2 3.36Å; A323-D327 VanDerWaalsContact O-CG 3.23Å; A323-D327 PolarHBondContact O-N 3.17Å; D327-N329 VanDerWaalsContact C-N 3.32Å; D327-N329 PolarHBondContact O-N 3.28Å; D327-D330 PolarHBondContact O-N 3.42Å; D327-V331 WeakPolarHBondContact O-CB 3.33Å; D327-V331 VanDerWaalsContact O-CG2 3.28Å; D327-V331 WeakPolarHBondContact O-CG2 3.15Å; D327-V331 PolarHBondContact O-N 3.34Å
328A98.7Very high97.9Very high0 Ų061.3 Ų61.30%031%0.308CS..Hα-helixtrans-62.3-36.4173.600000113.1L258 I261 F287 M291 F324 R326 A332L258-A328 HydrophobicContact CD2-CB 4.26Å; I261-A328 HydrophobicContact CD1-CB 4.02Å; F287-A328 HydrophobicContact CE2-CB 4.38Å; F287-A328 WeakPolarHBondContact CE2-O 3.34Å; F287-A328 HydrophobicContact CZ-CB 3.78Å; M291-A328 HydrophobicContact CE-CB 4.09Å; M291-A328 HydrophobicContact SD-CB 4.39Å; F324-A328 WeakPolarHBondContact O-CB 3.38Å; F324-A328 PolarHBondContact O-N 2.63Å; R326-A328 VanDerWaalsContact C-N 3.3Å; R326-A328 PolarHBondContact O-N 3.31Å; A328-A332 VanDerWaalsContact O-CB 3.23Å; A328-A332 WeakPolarHBondContact O-CB 3.31Å; A328-A332 PolarHBondContact O-N 3.5Å
329N98.5Very high97.5Very high65 Ų6554.7 Ų54.735%0.34828%0.282SS..Hα-helixtrans-70.1-45.6177.5-174.869.3000111I261 I325 R326 D327 A332 E333I261-N329 HydrophobicContact CD1-CB 4.07Å; I261-N329 HydrophobicContact CG1-CB 4.29Å; I325-N329 WeakPolarHBondContact O-CB 3.44Å; I325-N329 PolarHBondContact O-N 3.49Å; R326-N329 WeakPolarHBondContact O-CA 3.39Å; R326-N329 WeakPolarHBondContact O-CB 3.5Å; R326-N329 PolarHBondContact O-N 3.02Å; D327-N329 VanDerWaalsContact C-N 3.32Å; D327-N329 PolarHBondContact O-N 3.28Å; N329-A332 PolarHBondContact O-N 3.05Å; N329-E333 WeakPolarHBondContact O-CB 3.31Å; N329-E333 PolarHBondContact O-N 3.13Å
330D98.5Very high96.9Very high80 Ų8057.2 Ų57.243%0.42829%0.294SS..Hα-helixtrans-63.2-44.7-179.4-59.9-12.3000110.8R326 D327 E333 E334R326-D330 VanDerWaalsContact O-CG 3.29Å; R326-D330 PolarHBondContact O-N 3.44Å; D327-D330 PolarHBondContact O-N 3.42Å; D330-E333 PolarHBondContact O-N 2.6Å; D330-E334 PolarHBondContact O-N 3.07Å
331V98Very high96.2Very high6 Ų656.5 Ų56.54%0.03629%0.29CS..Hα-helixtrans-64.7-40.2175.8171.60000111.9F287 K290 M291 L294 D327 L335F287-V331 HydrophobicContact CB-CG1 4.44Å; F287-V331 HydrophobicContact CD2-CB 4.26Å; F287-V331 HydrophobicContact CD2-CG1 3.53Å; F287-V331 HydrophobicContact CE2-CB 4.11Å; F287-V331 HydrophobicContact CE2-CG1 3.88Å; F287-V331 HydrophobicContact CG-CG1 4.07Å; K290-V331 HydrophobicContact CB-CB 4.48Å; K290-V331 HydrophobicContact CB-CG1 3.61Å; K290-V331 HydrophobicContact CB-CG2 3.95Å; K290-V331 HydrophobicContact CD-CG1 3.95Å; K290-V331 HydrophobicContact CG-CG1 4.42Å; M291-V331 HydrophobicContact SD-CB 4.27Å; M291-V331 HydrophobicContact SD-CG2 3.92Å; L294-V331 HydrophobicContact CD1-CG2 3.93Å; D327-V331 WeakPolarHBondContact O-CB 3.33Å; D327-V331 VanDerWaalsContact O-CG2 3.28Å; D327-V331 WeakPolarHBondContact O-CG2 3.15Å; D327-V331 PolarHBondContact O-N 3.34Å; V331-L335 HydrophobicContact CG1-CD1 3.94Å; V331-L335 WeakPolarHBondContact O-CB 3.37Å; V331-L335 WeakPolarHBondContact O-CG 3.49Å; V331-L335 PolarHBondContact O-N 3.46Å
332A98.3Very high95.4Very high1 Ų161.9 Ų61.91%0.00832%0.324CS..Hα-helixtrans-66.8-39.7176.800000111.8I261 I264 F282 F287 A328 N329 L335 L336I261-A332 HydrophobicContact CG2-CB 3.48Å; I261-A332 VanDerWaalsContact CG2-CB 3.48Å; I264-A332 HydrophobicContact CD1-CB 4.2Å; I264-A332 HydrophobicContact CG1-CB 4.42Å; F282-A332 HydrophobicContact CE1-CB 4.16Å; F282-A332 HydrophobicContact CZ-CB 4.14Å; F287-A332 HydrophobicContact CE2-CB 4.23Å; A328-A332 VanDerWaalsContact O-CB 3.23Å; A328-A332 WeakPolarHBondContact O-CB 3.31Å; A328-A332 PolarHBondContact O-N 3.5Å; N329-A332 PolarHBondContact O-N 3.05Å; A332-L335 PolarHBondContact O-N 3.34Å; A332-L336 VanDerWaalsContact O-CG 3.23Å; A332-L336 WeakPolarHBondContact O-CG 3.35Å; A332-L336 PolarHBondContact O-N 3.37Å
333E97.8Very high94.4Very high109 Ų10957.6 Ų57.651%0.50931%0.311SS..Hα-helixtrans-64-42.8176.7-174.5166-164.400111.7N329 D330 L336 Q337N329-E333 WeakPolarHBondContact O-CB 3.31Å; N329-E333 PolarHBondContact O-N 3.13Å; D330-E333 PolarHBondContact O-N 2.6Å; E333-L336 PolarHBondContact O-N 2.88Å; E333-Q337 PolarHBondContact O-N 2.74Å
334E97.2Very high93.3Very high93 Ų9361.7 Ų61.744%0.43533%0.334SS..Hα-helixtrans-59.7-48173.3-167.4-165.8160.800111.4K290 D330 L336 Q337 N338K290-E334 WeakPolarHBondContact CE-OE1 3.36Å; K290-E334 WeakPolarHBondContact CE-OE2 3.35Å; K290-E334 IonicContact NZ-OE1 3.5Å; K290-E334 PolarHBondContact NZ-OE1 3.03Å; K290-E334 IonicContact NZ-OE2 3.47Å; K290-E334 PolarHBondContact NZ-OE2 3.4Å; D330-E334 PolarHBondContact O-N 3.07Å; E334-L336 VanDerWaalsContact C-N 3.28Å; E334-L336 PolarHBondContact O-N 3.3Å; E334-Q337 WeakPolarHBondContact O-CB 3.42Å; E334-Q337 PolarHBondContact O-N 3.42Å; E334-N338 PolarHBondContact O-N 3.11Å; E334-N338 VanDerWaalsContact O-N 3.11Å
335L97Very high92.5Very high2 Ų264.5 Ų64.51%0.0136%0.363CS..Hα-helixtrans-70.9-20.9-179.7-72.1173.1000113.5F282 F287 K290 V331 A332 Q337 N338 P339 P341F282-L335 HydrophobicContact CB-CB 3.9Å; F282-L335 HydrophobicContact CD1-CB 4.03Å; F282-L335 HydrophobicContact CD2-CB 4.12Å; F282-L335 HydrophobicContact CD2-CD1 3.9Å; F282-L335 HydrophobicContact CE2-CD1 4.19Å; F282-L335 HydrophobicContact CG-CB 3.77Å; F282-L335 HydrophobicContact CG-CD1 4.4Å; F287-L335 VanDerWaalsContact CA-CD1 3.43Å; F287-L335 HydrophobicContact CB-CD1 3.59Å; F287-L335 HydrophobicContact CD2-CD1 4.21Å; F287-L335 HydrophobicContact CG-CD1 4.4Å; K290-L335 HydrophobicContact CD-CD1 4.41Å; K290-L335 HydrophobicContact CD-CD2 4.22Å; K290-L335 HydrophobicContact CD-CG 4.22Å; V331-L335 HydrophobicContact CG1-CD1 3.94Å; V331-L335 WeakPolarHBondContact O-CB 3.37Å; V331-L335 WeakPolarHBondContact O-CG 3.49Å; V331-L335 PolarHBondContact O-N 3.46Å; A332-L335 PolarHBondContact O-N 3.34Å; L335-Q337 VanDerWaalsContact C-N 3.26Å; L335-Q337 PolarHBondContact O-N 2.98Å; L335-N338 CarbonylContact O-C 3.06Å; L335-N338 PolarHBondContact O-N 2.87Å; L335-P339 WeakPolarHBondContact O-CA 3.46Å; L335-P341 HydrophobicContact CD2-CG 3.72Å
336L97.1Very high91.6Very high57 Ų5767.4 Ų67.430%0.29838%0.382SS..Hα-helixtrans-69.7-26.7170.1-76.6168.4000112.2K262 V281 F282 A332 E333 E334K262-L336 HydrophobicContact CB-CD1 3.91Å; K262-L336 HydrophobicContact CD-CD1 3.91Å; K262-L336 HydrophobicContact CG-CD1 3.83Å; V281-L336 HydrophobicContact CG2-CD2 3.69Å; F282-L336 HydrophobicContact CD1-CD2 4.24Å; F282-L336 HydrophobicContact CD1-CG 4.32Å; F282-L336 HydrophobicContact CE1-CG 4.49Å; A332-L336 VanDerWaalsContact O-CG 3.23Å; A332-L336 WeakPolarHBondContact O-CG 3.35Å; A332-L336 PolarHBondContact O-N 3.37Å; E333-L336 PolarHBondContact O-N 2.88Å; E334-L336 VanDerWaalsContact C-N 3.28Å; E334-L336 PolarHBondContact O-N 3.3Å
337Q96.2Very high90.8Very high158 Ų15860.6 Ų60.674%0.73836%0.356SS*.Hα-helixtrans-83.2-30.9175.1-60.4176.314.300111.8E333 E334 L335E333-Q337 PolarHBondContact O-N 2.74Å; E334-Q337 WeakPolarHBondContact O-CB 3.42Å; E334-Q337 PolarHBondContact O-N 3.42Å; L335-Q337 VanDerWaalsContact C-N 3.26Å; L335-Q337 PolarHBondContact O-N 2.98Å
338N94.1Very high90.1Very high85 Ų8560.6 Ų60.646%0.45536%0.358SS..SBendtrans-132.585.8173.7-173.38.5000110.7E334 L335 S340 P341E334-N338 PolarHBondContact O-N 3.11Å; E334-N338 VanDerWaalsContact O-N 3.11Å; L335-N338 CarbonylContact O-C 3.06Å; L335-N338 PolarHBondContact O-N 2.87Å; N338-S340 VanDerWaalsContact C-N 3.3Å; N338-S340 PolarHBondContact O-N 3.44Å; N338-P341 WeakPolarHBondContact O-CD 3.37Å
339P90.3Very high89.5Confident54 Ų5464.8 Ų64.835%0.35138%0.377SS..SBendtrans-59.3-30.3-172.5-33.640.6000117V281 F282 N283 L335V281-P339 WeakPolarHBondContact O-CB 3.46Å; F282-P339 CarbonylContact C-O 3.6Å; F282-P339 VanDerWaalsContact CA-O 3.32Å; F282-P339 WeakPolarHBondContact CA-O 3.2Å; F282-P339 HydrophobicContact CB-CB 4.36Å; F282-P339 WeakPolarHBondContact CB-O 3.45Å; N283-P339 PolarHBondContact N-O 2.91Å; L335-P339 WeakPolarHBondContact O-CA 3.46Å
340S84.4Confident88.9Confident91 Ų9164.8 Ų64.864%0.63637%0.373SS*.SBendtrans-138.165.1-172-64.80000110N338N338-S340 VanDerWaalsContact C-N 3.3Å; N338-S340 PolarHBondContact O-N 3.44Å
341P84.4Confident88.2Confident23 Ų2362.2 Ų62.215%0.14936%0.364CS..PPolyproline II helixtrans-63.3151.4174.130.7-32.6000108.5L335 N338 S343L335-P341 HydrophobicContact CD2-CG 3.72Å; N338-P341 WeakPolarHBondContact O-CD 3.37Å; P341-S343 PolarHBondContact O-N 2.88Å
342P80.6Confident87.6Confident125 Ų12566.6 Ų66.681%0.81239%0.387SS*.PPolyproline II helixtrans-49.9117.6172.8-24.332.7000110
343S77Confident86.9Confident51 Ų5166.7 Ų66.736%0.35739%0.388SS..PPolyproline II helixtrans-86.1134.1179.5560000109.7P341 A348P341-S343 PolarHBondContact O-N 2.88Å; S343-A348 WeakPolarHBondContact O-CB 3.22Å
344T75.8Confident86.1Confident115 Ų11563.6 Ų63.671%0.70637%0.373SS*.  trans-119.7169.4173.160.50000110.6
345G82.4Confident85.6Confident59 Ų5964.4 Ų64.461%0.60838%0.384SS*.Hα-helixtrans56.3-137.217400000114.2A347 A348 F349G345-A347 VanDerWaalsContact C-N 3.32Å; G345-A347 PolarHBondContact O-N 2.84Å; G345-A348 PolarHBondContact O-N 3.45Å; G345-F349 PolarHBondContact O-N 3.41Å
346T80.7Confident85.1Confident79 Ų7966.1 Ų66.149%0.48539%0.394SS..Hα-helixtrans-62.9-34.4-173.8-49.60000113F300 F349 Y350F300-T346 HydrophobicContact CD2-CG2 4.21Å; F300-T346 HydrophobicContact CE2-CG2 3.52Å; F300-T346 HydrophobicContact CZ-CG2 3.71Å; T346-F349 WeakPolarHBondContact O-CB 3.12Å; T346-F349 PolarHBondContact O-N 3.48Å; T346-Y350 HydrophobicContact CG2-CD2 3.64Å; T346-Y350 HydrophobicContact CG2-CE2 3.5Å; T346-Y350 WeakPolarHBondContact O-CD2 3.34Å; T346-Y350 PolarHBondContact O-N 3.34Å
347A81.2Confident84.6Confident1 Ų169.2 Ų69.21%0.00842%0.417CS..Hα-helixtrans-65-41.5177.500000112.7Y285 S289 G345 F349 Y350 G351Y285-A347 WeakPolarHBondContact O-CB 3.27Å; S289-A347 WeakPolarHBondContact OG-CB 3.47Å; G345-A347 VanDerWaalsContact C-N 3.32Å; G345-A347 PolarHBondContact O-N 2.84Å; A347-F349 VanDerWaalsContact C-N 3.3Å; A347-F349 PolarHBondContact O-N 2.91Å; A347-Y350 PolarHBondContact O-N 3.18Å; A347-G351 PolarHBondContact O-N 3.25Å
348A84.1Confident84.3Confident18 Ų1865.6 Ų65.615%0.14940%0.403CS..Hα-helixtrans-61.1-43.7174.200000110.7S343 G345 G351 I352S343-A348 WeakPolarHBondContact O-CB 3.22Å; G345-A348 PolarHBondContact O-N 3.45Å; A348-G351 PolarHBondContact O-N 3.18Å; A348-I352 WeakPolarHBondContact O-CG1 3.44Å; A348-I352 PolarHBondContact O-N 3.49Å
349F86.3Confident84Confident88 Ų8866 Ų6639%0.38640%0.398SS..Hα-helixtrans-59.4-50.6178-177-100.7000112.4G345 T346 A347 G351 I352 A353 I365G345-F349 PolarHBondContact O-N 3.41Å; T346-F349 WeakPolarHBondContact O-CB 3.12Å; T346-F349 PolarHBondContact O-N 3.48Å; A347-F349 VanDerWaalsContact C-N 3.3Å; A347-F349 PolarHBondContact O-N 2.91Å; F349-G351 VanDerWaalsContact C-N 3.29Å; F349-G351 PolarHBondContact O-N 3.38Å; F349-I352 PolarHBondContact O-N 3.42Å; F349-A353 HydrophobicContact CE1-CB 4.4Å; F349-A353 WeakPolarHBondContact O-CB 3.47Å; F349-A353 PolarHBondContact O-N 3.06Å; F349-I365 HydrophobicContact CE2-CD1 4.17Å; F349-I365 HydrophobicContact CE2-CG2 3.73Å; F349-I365 HydrophobicContact CZ-CG2 3.73Å
350Y86.1Confident84.1Confident66 Ų6665.9 Ų65.926%0.25940%0.398SS..Hα-helixtrans-65-32.3178.6-83.6-79.6000113.2F300 T346 A347 Q354F300-Y350 HydrophobicContact CB-CD1 3.84Å; F300-Y350 HydrophobicContact CB-CD2 3.82Å; F300-Y350 HydrophobicContact CB-CE1 3.63Å; F300-Y350 HydrophobicContact CB-CE2 3.63Å; F300-Y350 HydrophobicContact CB-CG 3.94Å; F300-Y350 AromaticContact CD1-CD2 3.53Å; F300-Y350 HydrophobicContact CD1-CD2 3.53Å; F300-Y350 HydrophobicContact CD1-CE2 4.04Å; F300-Y350 AromaticContact CD1-CG 3.84Å; F300-Y350 HydrophobicContact CD1-CG 3.84Å; F300-Y350 AromaticContact CD2-CD2 3.82Å; F300-Y350 HydrophobicContact CD2-CD2 3.82Å; F300-Y350 AromaticContact CD2-CE2 3.46Å; F300-Y350 HydrophobicContact CD2-CE2 3.46Å; F300-Y350 VanDerWaalsContact CD2-CE2 3.46Å; F300-Y350 AromaticContact CE1-CD2 3.92Å; F300-Y350 HydrophobicContact CE1-CD2 3.92Å; F300-Y350 HydrophobicContact CE1-CG 4.49Å; F300-Y350 HydrophobicContact CE2-CD2 4.18Å; F300-Y350 HydrophobicContact CE2-CE2 4.02Å; F300-Y350 HydrophobicContact CG-CD1 4.36Å; F300-Y350 AromaticContact CG-CD2 3.45Å; F300-Y350 HydrophobicContact CG-CD2 3.45Å; F300-Y350 VanDerWaalsContact CG-CD2 3.45Å; F300-Y350 HydrophobicContact CG-CE1 4.34Å; F300-Y350 AromaticContact CG-CE2 3.45Å; F300-Y350 HydrophobicContact CG-CE2 3.45Å; F300-Y350 VanDerWaalsContact CG-CE2 3.45Å; F300-Y350 AromaticContact CG-CG 3.95Å; F300-Y350 HydrophobicContact CG-CG 3.95Å; F300-Y350 AromaticContact CG-CZ 3.91Å; F300-Y350 HydrophobicContact CZ-CD2 4.18Å; F300-Y350 HydrophobicContact CZ-CE2 4.49Å; T346-Y350 HydrophobicContact CG2-CD2 3.64Å; T346-Y350 HydrophobicContact CG2-CE2 3.5Å; T346-Y350 WeakPolarHBondContact O-CD2 3.34Å; T346-Y350 PolarHBondContact O-N 3.34Å; A347-Y350 PolarHBondContact O-N 3.18Å; Y350-Q354 PolarHBondContact O-NE2 2.86Å
351G83.8Confident84.4Confident25 Ų2565.3 Ų65.326%0.25839%0.388SS..Hα-helixtrans-62.5-53.2172.200000112.1A347 A348 F349 Q354A347-G351 PolarHBondContact O-N 3.25Å; A348-G351 PolarHBondContact O-N 3.18Å; F349-G351 VanDerWaalsContact C-N 3.29Å; F349-G351 PolarHBondContact O-N 3.38Å; G351-Q354 PolarHBondContact O-N 3.37Å
352I84.4Confident84.8Confident98 Ų9865.5 Ų65.550%0.50339%0.387SS..Hα-helixtrans-66-41.9-179.6-66.6165.7000111.3A348 F349 Q354 T355 I356A348-I352 WeakPolarHBondContact O-CG1 3.44Å; A348-I352 PolarHBondContact O-N 3.49Å; F349-I352 PolarHBondContact O-N 3.42Å; I352-Q354 PolarHBondContact O-N 3.07Å; I352-T355 PolarHBondContact O-N 3.19Å; I352-T355 PolarHBondContact O-OG1 3.01Å; I352-I356 HydrophobicContact CG2-CD1 3.76Å; I352-I356 HydrophobicContact CG2-CG1 4.22Å; I352-I356 WeakPolarHBondContact O-CG1 3.43Å; I352-I356 PolarHBondContact O-N 3.2Å
353A85.1Confident85.3Confident4 Ų464.2 Ų64.23%0.03337%0.37CS..Hα-helixtrans-59.1-24.5-176.400000112.7F349 R359 I362F349-A353 HydrophobicContact CE1-CB 4.4Å; F349-A353 WeakPolarHBondContact O-CB 3.47Å; F349-A353 PolarHBondContact O-N 3.06Å; A353-R359 PolarHBondContact O-NH1 3.37Å; A353-I362 HydrophobicContact CB-CD1 3.92Å
354Q81Confident86.1Confident44 Ų4467.7 Ų67.721%0.20638%0.381CS..Hα-helixtrans-86.5-25.8178.2-75.3170.847.700113.8Y285 Q302 Y350 G351 I352Y285-Q354 PolarHBondContact OH-NE2 3.1Å; Y285-Q354 PolarHBondContact OH-OE1 2.88Å; Y285-Q354 VanDerWaalsContact OH-OE1 3.08Å; Q302-Q354 VanDerWaalsContact CB-CD 3.49Å; Q302-Q354 HydrophobicContact CB-CG 3.94Å; Y350-Q354 PolarHBondContact O-NE2 2.86Å; G351-Q354 PolarHBondContact O-N 3.37Å; I352-Q354 PolarHBondContact O-N 3.07Å
355T84.7Confident86.9Confident109 Ų10965.9 Ų65.967%0.66937%0.366SS*.Hα-helixtrans-82.5-18.717957.90000112.4I352 P357I352-T355 PolarHBondContact O-N 3.19Å; I352-T355 PolarHBondContact O-OG1 3.01Å; T355-P357 VanDerWaalsContact O-CD 3.25Å; T355-P357 WeakPolarHBondContact O-CD 3.42Å
356I87.1Confident87.4Confident39 Ų3965.4 Ų65.420%0.236%0.356CS..  trans-74.3114.3177.8-64.4168.5000109.6I352 D358 L361 I362I352-I356 HydrophobicContact CG2-CD1 3.76Å; I352-I356 HydrophobicContact CG2-CG1 4.22Å; I352-I356 WeakPolarHBondContact O-CG1 3.43Å; I352-I356 PolarHBondContact O-N 3.2Å; I356-D358 VanDerWaalsContact CG2-O 3.24Å; I356-D358 WeakPolarHBondContact CG2-O 3.48Å; I356-L361 HydrophobicContact CG2-CB 4.44Å; I356-L361 HydrophobicContact CG2-CD1 4.12Å; I356-I362 HydrophobicContact CB-CD1 4.23Å; I356-I362 HydrophobicContact CD1-CD1 3.74Å; I356-I362 HydrophobicContact CG2-CD1 4.47Å
357P86.8Confident88.1Confident122 Ų12267.6 Ų67.679%0.79236%0.357SS*.SBendtrans-72.9-35.6-179.628.5-32.7000112T355 R359T355-P357 VanDerWaalsContact O-CD 3.25Å; T355-P357 WeakPolarHBondContact O-CD 3.42Å; P357-R359 PolarHBondContact O-N 2.96Å
358D89.2Confident88.7Confident82 Ų8270.2 Ų70.244%0.43938%0.378SS..  trans-78100.9176.3-171.8-5.8000110.7I356 S360 L361I356-D358 VanDerWaalsContact CG2-O 3.24Å; I356-D358 WeakPolarHBondContact CG2-O 3.48Å; D358-S360 PolarHBondContact O-N 3.03Å; D358-S360 WeakPolarHBondContact OD1-CB 3.35Å; D358-S360 PolarHBondContact OD1-N 2.88Å; D358-S360 PolarHBondContact OD1-OG 3.45Å; D358-S360 PolarHBondContact OD2-OG 2.95Å; D358-L361 HydrophobicContact CB-CD1 4.34Å; D358-L361 HydrophobicContact CB-CG 4.49Å; D358-L361 PolarHBondContact O-N 3.43Å
359R89.3Confident89.2Confident94 Ų9477 Ų7736%0.35540%0.401SS..Hα-helixtrans-70.7-16.1-177.9-57.2-54.4-62.3-175.5-2.3113.2A353 P357 L361 I362 E363A353-R359 PolarHBondContact O-NH1 3.37Å; P357-R359 PolarHBondContact O-N 2.96Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 2.91Å; R359-I362 PolarHBondContact O-N 3.39Å; R359-E363 PolarHBondContact O-N 3.46Å; R359-E363 VanDerWaalsContact O-N 3.15Å
360S91.2Very high89.6Confident51 Ų5177 Ų7736%0.35741%0.405SS..Hα-helixtrans-64.2-34.9177.668.20000111.9D358 I362 E363 E364D358-S360 PolarHBondContact O-N 3.03Å; D358-S360 WeakPolarHBondContact OD1-CB 3.35Å; D358-S360 PolarHBondContact OD1-N 2.88Å; D358-S360 PolarHBondContact OD1-OG 3.45Å; D358-S360 PolarHBondContact OD2-OG 2.95Å; S360-I362 VanDerWaalsContact C-N 3.32Å; S360-I362 PolarHBondContact O-N 2.96Å; S360-E363 WeakPolarHBondContact O-CB 3.26Å; S360-E363 PolarHBondContact O-N 3.28Å; S360-E363 VanDerWaalsContact O-N 3.13Å; S360-E364 PolarHBondContact O-N 3.33Å
361L91.7Very high90Very high79 Ų7979.6 Ų79.641%0.41442%0.423SS..Hα-helixtrans-62.9-37.8174.4-63.6175.6000112.4I356 D358 R359 E363 E364 I365I356-L361 HydrophobicContact CG2-CB 4.44Å; I356-L361 HydrophobicContact CG2-CD1 4.12Å; D358-L361 HydrophobicContact CB-CD1 4.34Å; D358-L361 HydrophobicContact CB-CG 4.49Å; D358-L361 PolarHBondContact O-N 3.43Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 2.91Å; L361-E363 VanDerWaalsContact C-N 3.3Å; L361-E364 PolarHBondContact O-N 3.11Å; L361-I365 VanDerWaalsContact O-CG1 3.3Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 3.46Å; L361-I365 VanDerWaalsContact O-N 3.12Å
362I91.3Very high90.5Very high26 Ų2681.6 Ų81.613%0.13344%0.437CS..Hα-helixtrans-68.8-34.9176.6-53.6-55.9000110.8A353 I356 R359 S360 A366A353-I362 HydrophobicContact CB-CD1 3.92Å; I356-I362 HydrophobicContact CB-CD1 4.23Å; I356-I362 HydrophobicContact CD1-CD1 3.74Å; I356-I362 HydrophobicContact CG2-CD1 4.47Å; R359-I362 PolarHBondContact O-N 3.39Å; S360-I362 VanDerWaalsContact C-N 3.32Å; S360-I362 PolarHBondContact O-N 2.96Å; I362-A366 WeakPolarHBondContact O-CB 3.45Å; I362-A366 PolarHBondContact O-N 3.48Å
363E91.7Very high91Very high98 Ų9880.6 Ų80.646%0.45844%0.438SS..Hα-helixtrans-65.9-45.6175.5-174.3176.2177.300111.4R359 S360 L361 I365 A366 Y367R359-E363 PolarHBondContact O-N 3.46Å; R359-E363 VanDerWaalsContact O-N 3.15Å; S360-E363 WeakPolarHBondContact O-CB 3.26Å; S360-E363 PolarHBondContact O-N 3.28Å; S360-E363 VanDerWaalsContact O-N 3.13Å; L361-E363 VanDerWaalsContact C-N 3.3Å; E363-I365 VanDerWaalsContact C-N 3.35Å; E363-I365 PolarHBondContact O-N 2.97Å; E363-A366 WeakPolarHBondContact O-CB 3.47Å; E363-A366 PolarHBondContact O-N 2.95Å; E363-A366 VanDerWaalsContact O-N 3.12Å; E363-Y367 HydrophobicContact CG-CD2 4.17Å; E363-Y367 HydrophobicContact CG-CE1 4.31Å; E363-Y367 HydrophobicContact CG-CE2 3.51Å; E363-Y367 PolarHBondContact O-N 3.43Å; E363-Y367 WeakPolarHBondContact OE1-CE2 3.48Å; E363-Y367 VanDerWaalsContact OE1-CZ 3.29Å; E363-Y367 PolarHBondContact OE1-OH 3.18Å
364E94Very high91.4Very high124 Ų12489.7 Ų89.758%0.57947%0.473SS*.Hα-helixtrans-59.3-43.5175.2-72.4-178.4174.500112.2S360 L361 A366 Y367 A368S360-E364 PolarHBondContact O-N 3.33Å; L361-E364 PolarHBondContact O-N 3.11Å; E364-A366 VanDerWaalsContact C-N 3.31Å; E364-A366 PolarHBondContact O-N 2.57Å; E364-Y367 PolarHBondContact O-N 2.89Å; E364-A368 PolarHBondContact O-N 3.04Å
365I92.3Very high91.9Very high78 Ų7890.9 Ų90.940%0.449%0.49SS..Hα-helixtrans-63.1-40.2175.7-65165000111.1F349 L361 E363 Y367 A368 Y369F349-I365 HydrophobicContact CE2-CD1 4.17Å; F349-I365 HydrophobicContact CE2-CG2 3.73Å; F349-I365 HydrophobicContact CZ-CG2 3.73Å; L361-I365 VanDerWaalsContact O-CG1 3.3Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 3.46Å; L361-I365 VanDerWaalsContact O-N 3.12Å; E363-I365 VanDerWaalsContact C-N 3.35Å; E363-I365 PolarHBondContact O-N 2.97Å; I365-Y367 VanDerWaalsContact C-N 3.31Å; I365-Y367 PolarHBondContact O-N 2.93Å; I365-A368 PolarHBondContact O-N 3.03Å; I365-Y369 PolarHBondContact O-N 3.04Å
366A92.4Very high92.1Very high49 Ų4992.2 Ų92.241%0.40550%0.498SS..Hα-helixtrans-64.2-37.3176.300000111.8I362 E363 E364 L370I362-A366 WeakPolarHBondContact O-CB 3.45Å; I362-A366 PolarHBondContact O-N 3.48Å; E363-A366 WeakPolarHBondContact O-CB 3.47Å; E363-A366 PolarHBondContact O-N 2.95Å; E363-A366 VanDerWaalsContact O-N 3.12Å; E364-A366 VanDerWaalsContact C-N 3.31Å; E364-A366 PolarHBondContact O-N 2.57Å; A366-L370 WeakPolarHBondContact O-CG 3.03Å; A366-L370 PolarHBondContact O-N 3.2Å
367Y95.4Very high91.7Very high125 Ų12599.1 Ų99.149%0.4953%0.53SS..Hα-helixtrans-67.3-45.9174-66.1-24.9000112.2E363 E364 I365 Y369 L370 D371E363-Y367 HydrophobicContact CG-CD2 4.17Å; E363-Y367 HydrophobicContact CG-CE1 4.31Å; E363-Y367 HydrophobicContact CG-CE2 3.51Å; E363-Y367 PolarHBondContact O-N 3.43Å; E363-Y367 WeakPolarHBondContact OE1-CE2 3.48Å; E363-Y367 VanDerWaalsContact OE1-CZ 3.29Å; E363-Y367 PolarHBondContact OE1-OH 3.18Å; E364-Y367 PolarHBondContact O-N 2.89Å; I365-Y367 VanDerWaalsContact C-N 3.31Å; I365-Y367 PolarHBondContact O-N 2.93Å; Y367-Y369 VanDerWaalsContact C-N 3.26Å; Y367-Y369 PolarHBondContact O-N 3.07Å; Y367-L370 HydrophobicContact CD1-CD1 4.46Å; Y367-L370 WeakPolarHBondContact O-CA 3.48Å; Y367-L370 WeakPolarHBondContact O-CB 3.23Å; Y367-L370 PolarHBondContact O-N 2.8Å; Y367-D371 PolarHBondContact O-N 3.1Å
368A95Very high90.4Very high56 Ų56102.4 Ų102.446%0.46353%0.531SS..Hα-helixtrans-58.6-38.3175.400000112.3E364 I365 L370 D371 A372E364-A368 PolarHBondContact O-N 3.04Å; I365-A368 PolarHBondContact O-N 3.03Å; A368-L370 VanDerWaalsContact C-N 3.34Å; A368-L370 PolarHBondContact O-N 2.94Å; A368-D371 PolarHBondContact O-N 3Å; A368-A372 WeakPolarHBondContact O-CB 3.24Å; A368-A372 PolarHBondContact O-N 2.86Å
369Y93.4Very high88.9Confident159 Ų159107.5 Ų107.562%0.62455%0.55SS*.Hα-helixtrans-61.8-40.4173.1172.5-98000112.4I365 Y367 A372 C373I365-Y369 PolarHBondContact O-N 3.04Å; Y367-Y369 VanDerWaalsContact C-N 3.26Å; Y367-Y369 PolarHBondContact O-N 3.07Å; Y369-A372 PolarHBondContact O-N 3.44Å; Y369-C373 PolarHBondContact O-N 2.95Å; Y369-C373 PolarHBondContact O-SG 2.99Å
370L95.6Very high87Confident90 Ų90108 Ų10847%0.47157%0.567SS.*Hα-helixtrans-67.5-42.7176.8-68.5173.7000111.4A366 Y367 A368 A372 C373 Y374A366-L370 WeakPolarHBondContact O-CG 3.03Å; A366-L370 PolarHBondContact O-N 3.2Å; Y367-L370 HydrophobicContact CD1-CD1 4.46Å; Y367-L370 WeakPolarHBondContact O-CA 3.48Å; Y367-L370 WeakPolarHBondContact O-CB 3.23Å; Y367-L370 PolarHBondContact O-N 2.8Å; A368-L370 VanDerWaalsContact C-N 3.34Å; A368-L370 PolarHBondContact O-N 2.94Å; L370-A372 VanDerWaalsContact C-N 3.29Å; L370-A372 PolarHBondContact O-N 3.36Å; L370-C373 WeakPolarHBondContact O-CB 3.27Å; L370-C373 PolarHBondContact O-N 3.46Å; L370-Y374 WeakPolarHBondContact O-CD2 3.5Å; L370-Y374 PolarHBondContact O-N 3.35Å
371D95.3Very high85.2Confident120 Ų120111.2 Ų111.264%0.64258%0.58SS**Hα-helixtrans-58.9-43.6175.3-67.1-25.5000110.9Y367 A368 C373 Y374 A375Y367-D371 PolarHBondContact O-N 3.1Å; A368-D371 PolarHBondContact O-N 3Å; D371-C373 PolarHBondContact O-N 3.21Å; D371-Y374 CarbonylContact O-C 3.52Å; D371-Y374 PolarHBondContact O-N 3.44Å; D371-A375 PolarHBondContact O-N 2.9Å; D371-A375 VanDerWaalsContact O-N 3.1Å
372A94.2Very high83.4Confident67 Ų67115.2 Ų115.255%0.55459%0.594SS**Hα-helixtrans-60.6-30.7175.500000113.2A368 Y369 L370 Y374 A375A368-A372 WeakPolarHBondContact O-CB 3.24Å; A368-A372 PolarHBondContact O-N 2.86Å; Y369-A372 PolarHBondContact O-N 3.44Å; L370-A372 VanDerWaalsContact C-N 3.29Å; L370-A372 PolarHBondContact O-N 3.36Å; A372-Y374 PolarHBondContact O-N 3.17Å; A372-A375 PolarHBondContact O-N 3.01Å
373C93.6Very high81.8Confident76 Ų76120.7 Ų120.751%0.51462%0.624SS.*Hα-helixtrans-70.4-19.4176.1-66.30000113.3Y369 L370 D371Y369-C373 PolarHBondContact O-N 2.95Å; Y369-C373 PolarHBondContact O-SG 2.99Å; L370-C373 WeakPolarHBondContact O-CB 3.27Å; L370-C373 PolarHBondContact O-N 3.46Å; D371-C373 PolarHBondContact O-N 3.21Å
374Y93.7Very high80Confident196 Ų196123.4 Ų123.477%0.76964%0.641SS**Hα-helixtrans-105.2-2.5176.9-72.8-79.2000113.2L370 D371 A372 T376L370-Y374 WeakPolarHBondContact O-CD2 3.5Å; L370-Y374 PolarHBondContact O-N 3.35Å; D371-Y374 CarbonylContact O-C 3.52Å; D371-Y374 PolarHBondContact O-N 3.44Å; A372-Y374 PolarHBondContact O-N 3.17Å; Y374-T376 PolarHBondContact O-N 2.98Å
375A91.2Very high78.1Confident69 Ų69123.8 Ų123.857%0.5765%0.647SS**  trans-64127179.800000111D371 A372D371-A375 PolarHBondContact O-N 2.9Å; D371-A375 VanDerWaalsContact O-N 3.1Å; A372-A375 PolarHBondContact O-N 3.01Å
376T88.9Confident76.2Confident136 Ų136127.1 Ų127.183%0.83467%0.665SS**  trans-109.92176.557.30000112.9Y374 K378Y374-T376 PolarHBondContact O-N 2.98Å; T376-K378 PolarHBondContact O-N 2.8Å
377E80.3Confident74.1Confident185 Ų185132.4 Ų132.486%0.86469%0.687SS**  trans-60.3120.2176.7-66.6-177.5-178.400108.7
378K59.4Low71.8Confident190 Ų190139.5 Ų139.583%0.82672%0.724SS**  trans-59140.7165.4-81.3-178.3173.6-178.20106.5T376 C380T376-K378 PolarHBondContact O-N 2.8Å; K378-C380 PolarHBondContact O-N 3.09Å
379K57.7Low70.6Confident189 Ų189143.7 Ų143.782%0.82274%0.737SS**  trans-47.6111.5160.8-84.9-177.8170.4-174.90106.5D381K379-D381 VanDerWaalsContact C-N 3.32Å; K379-D381 PolarHBondContact O-N 2.91Å
380C49.2Very low69.4Low105 Ų105142.8 Ų142.871%0.70974%0.743SS**  trans-63.6105.7163.6-68.30000104.7K378 F382K378-C380 PolarHBondContact O-N 3.09Å; C380-F382 WeakPolarHBondContact O-CD2 3.32Å; C380-F382 PolarHBondContact O-N 3.15Å
381D52.2Low68Low118 Ų118145.8 Ų145.863%0.63176%0.758SS**  trans-64.1116.3163.6-72.5-34.3000105K379 D383K379-D381 VanDerWaalsContact C-N 3.32Å; K379-D381 PolarHBondContact O-N 2.91Å; D381-D383 PolarHBondContact O-N 3.05Å
382F55.5Low66.3Low163 Ų163147.3 Ų147.372%0.71577%0.765SS**G310 helixtrans-68.99.9-179-85.7-91000112.8C380 D384 L385C380-F382 WeakPolarHBondContact O-CD2 3.32Å; C380-F382 PolarHBondContact O-N 3.15Å; F382-D384 VanDerWaalsContact C-N 3.27Å; F382-D384 PolarHBondContact O-N 3.4Å; F382-L385 HydrophobicContact CD1-CD1 4.02Å; F382-L385 HydrophobicContact CE1-CD1 4.36Å
383D57.1Low64.6Low141 Ų141152.3 Ų152.375%0.75478%0.779SS**G310 helixtrans-77.9-9.9-179.8-65.9-18.5000112.7D381D381-D383 PolarHBondContact O-N 3.05Å
384D54.2Low62.7Low155 Ų155157.4 Ų157.483%0.82980%0.796SS**G310 helixtrans-92.812.6178.1-72.9-23.6000113.9F382F382-D384 VanDerWaalsContact C-N 3.27Å; F382-D384 PolarHBondContact O-N 3.4Å
385L53.4Low60.4Low132 Ų132154.6 Ų154.669%0.69180%0.798SS**G310 helixtrans-113.17.5-177.7-76.3167.1000115.7F382F382-L385 HydrophobicContact CD1-CD1 4.02Å; F382-L385 HydrophobicContact CE1-CD1 4.36Å
386D53.4Low58.1Low148 Ų148161.2 Ų161.279%0.79182%0.816SS**SBendtrans-114.915.6-177.8-82.3-18.7000115.3
387D48.7Very low55.5Low161 Ų161163.3 Ų163.386%0.86181%0.814SS**  trans-128.963.5176-79.5-32.4000113.2
388E45.5Very low53.3Low273 Ų273161.4 Ų161.4100%1.27681%0.81SS**  trans-145.20153.6-82.4-165.3170.500109.8

Retrieved 388 of 388 residues in 389.8 ms (Link to these results)

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