A0A3Q0KPM4_SCHMA Loading...

Leucine-rich repeat-containing protein 57

AlphaFold DB , UniProt , Accession A0A3Q0KPM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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
1M51.4Low81Confident165 Ų16582.8 Ų82.881%0.81347%0.473SS*.  0-21.30-70.4-173.6-165.300113.9N3 T4M1-N3 PolarHBondContact O-N 3.31Å; M1-T4 PolarHBondContact O-OG1 3.3Å
2G51.2Low82.3Confident61 Ų6176 Ų7663%0.62943%0.434SS*.G310 helixtrans-62.2-33.2-175.800000115.8T4 I5G2-T4 VanDerWaalsContact C-N 3.3Å; G2-T4 PolarHBondContact O-N 3.06Å; G2-I5 PolarHBondContact O-N 2.67Å
3N59Low83.4Confident145 Ų14578.8 Ų78.878%0.77544%0.442SS*.G310 helixtrans-71.8-19.8-172.4-151.511000114.3M1 P7M1-N3 PolarHBondContact O-N 3.31Å; N3-P7 WeakPolarHBondContact O-CD 3.35Å
4T76.7Confident84.3Confident80 Ų8083.9 Ų83.949%0.49146%0.457SS..G310 helixtrans-84.5-14.9-178.543.10000114.1M1 G2M1-T4 PolarHBondContact O-OG1 3.3Å; G2-T4 VanDerWaalsContact C-N 3.3Å; G2-T4 PolarHBondContact O-N 3.06Å
5I88.8Confident85.1Confident22 Ų2281.7 Ų81.711%0.11345%0.447CS..THydrogen-bonded Turntrans-94.6-38.2-175.6-60.7173.5000111G2 R8 I9 L23 L25 P29G2-I5 PolarHBondContact O-N 2.67Å; I5-R8 WeakPolarHBondContact O-CA 3.33Å; I5-R8 WeakPolarHBondContact O-CB 3.48Å; I5-R8 PolarHBondContact O-N 3.41Å; I5-I9 HydrophobicContact CG2-CD1 4.15Å; I5-I9 HydrophobicContact CG2-CG1 3.74Å; I5-I9 WeakPolarHBondContact O-CG1 3.5Å; I5-I9 PolarHBondContact O-N 3.48Å; I5-L23 HydrophobicContact CG1-CD1 4.13Å; I5-L25 HydrophobicContact CD1-CD2 3.71Å; I5-P29 HydrophobicContact CD1-CG 4.03Å; I5-P29 HydrophobicContact CG2-CB 4.46Å; I5-P29 HydrophobicContact CG2-CG 4.34Å
6A90.9Very high85.9Confident58 Ų5876.7 Ų76.748%0.47942%0.42SS..Hα-helixtrans-53.8-46.4-174.600000114R8 I9 E10A6-R8 VanDerWaalsContact C-N 3.26Å; A6-R8 PolarHBondContact O-N 2.81Å; A6-I9 PolarHBondContact O-N 3.41Å; A6-I9 VanDerWaalsContact O-N 3.16Å; A6-E10 PolarHBondContact O-N 3.15Å
7P93Very high86.7Confident78 Ų7875.4 Ų75.451%0.50641%0.414SS..Hα-helixtrans-63.3-31.8176.5-21.833.8000113.3N3 N11N3-P7 WeakPolarHBondContact O-CD 3.35Å; P7-N11 WeakPolarHBondContact O-CB 3.46Å; P7-N11 PolarHBondContact O-N 3.36Å
8R94.8Very high87.3Confident92 Ų9271.2 Ų71.235%0.34739%0.392SS..Hα-helixtrans-70.7-37177.6-58.8177.9176.7-141.54.1111.3I5 A6 A12 L18 Q19 V20I5-R8 WeakPolarHBondContact O-CA 3.33Å; I5-R8 WeakPolarHBondContact O-CB 3.48Å; I5-R8 PolarHBondContact O-N 3.41Å; A6-R8 VanDerWaalsContact C-N 3.26Å; A6-R8 PolarHBondContact O-N 2.81Å; R8-A12 VanDerWaalsContact O-CB 3.26Å; R8-A12 WeakPolarHBondContact O-CB 3.28Å; R8-A12 PolarHBondContact O-N 3.11Å; R8-L18 HydrophobicContact CB-CD1 3.95Å; R8-L18 WeakPolarHBondContact O-CD1 3.32Å; R8-Q19 WeakPolarHBondContact CD-O 3.42Å; R8-Q19 PolarHBondContact NH1-O 2.88Å; R8-V20 HydrophobicContact CB-CG1 4.44Å
9I95.2Very high87.8Confident14 Ų1474 Ų747%0.07240%0.401CS..Hα-helixtrans-65.5-48.6175-62.6-65.9000110I5 A6 N11 A12 E13 L18 Q31 V32 L35I5-I9 HydrophobicContact CG2-CD1 4.15Å; I5-I9 HydrophobicContact CG2-CG1 3.74Å; I5-I9 WeakPolarHBondContact O-CG1 3.5Å; I5-I9 PolarHBondContact O-N 3.48Å; A6-I9 PolarHBondContact O-N 3.41Å; A6-I9 VanDerWaalsContact O-N 3.16Å; I9-N11 VanDerWaalsContact C-N 3.31Å; I9-N11 PolarHBondContact O-N 2.97Å; I9-A12 WeakPolarHBondContact O-CA 3.5Å; I9-A12 WeakPolarHBondContact O-CB 3.29Å; I9-A12 PolarHBondContact O-N 3.36Å; I9-E13 PolarHBondContact O-N 2.91Å; I9-L18 HydrophobicContact CD1-CD1 4Å; I9-L18 HydrophobicContact CD1-CD2 3.78Å; I9-Q31 HydrophobicContact CD1-CB 4.15Å; I9-Q31 HydrophobicContact CG1-CB 4.18Å; I9-Q31 HydrophobicContact CG2-CB 4.25Å; I9-V32 HydrophobicContact CD1-CG2 3.89Å; I9-L35 HydrophobicContact CD1-CD1 4.11Å; I9-L35 HydrophobicContact CG2-CD2 4.06Å
10E94.6Very high88.2Confident104 Ų10470.3 Ų70.349%0.48638%0.381SS..Hα-helixtrans-60.1-42.1178.1-166.5-162.1148.700111.8A6 A12 E13 K14A6-E10 PolarHBondContact O-N 3.15Å; E10-A12 VanDerWaalsContact C-N 3.33Å; E10-A12 PolarHBondContact O-N 3.17Å; E10-E13 PolarHBondContact O-N 3.14Å; E10-K14 PolarHBondContact O-N 3.14Å; E10-K14 IonicContact OE1-NZ 2.72Å; E10-K14 PolarHBondContact OE1-NZ 3.37Å
11N95.4Very high88.6Confident92 Ų9268.6 Ų68.649%0.49238%0.375SS..Hα-helixtrans-65.9-36.6174.7-172.358.5000112.3P7 I9 K14 T15P7-N11 WeakPolarHBondContact O-CB 3.46Å; P7-N11 PolarHBondContact O-N 3.36Å; I9-N11 VanDerWaalsContact C-N 3.31Å; I9-N11 PolarHBondContact O-N 2.97Å; N11-K14 PolarHBondContact O-N 3.46Å; N11-T15 WeakPolarHBondContact O-CB 3.28Å; N11-T15 WeakPolarHBondContact O-CG2 3.43Å; N11-T15 PolarHBondContact O-N 3.23Å; N11-T15 PolarHBondContact O-OG1 3.09Å
12A97.2Very high90.7Very high1 Ų164.6 Ų64.61%0.00836%0.363CS..Hα-helixtrans-69.4-30.4177.600000113R8 I9 E10 K14 G16 V17 L18 L35 L38R8-A12 VanDerWaalsContact O-CB 3.26Å; R8-A12 WeakPolarHBondContact O-CB 3.28Å; R8-A12 PolarHBondContact O-N 3.11Å; I9-A12 WeakPolarHBondContact O-CA 3.5Å; I9-A12 WeakPolarHBondContact O-CB 3.29Å; I9-A12 PolarHBondContact O-N 3.36Å; E10-A12 VanDerWaalsContact C-N 3.33Å; E10-A12 PolarHBondContact O-N 3.17Å; A12-K14 VanDerWaalsContact C-N 3.27Å; A12-K14 PolarHBondContact O-N 3.39Å; A12-G16 VanDerWaalsContact O-CA 3.26Å; A12-G16 WeakPolarHBondContact O-CA 3.08Å; A12-G16 PolarHBondContact O-N 3.06Å; A12-V17 WeakPolarHBondContact CA-O 3.34Å; A12-V17 VanDerWaalsContact CB-O 3.32Å; A12-V17 WeakPolarHBondContact CB-O 3.19Å; A12-L18 HydrophobicContact CB-CB 3.7Å; A12-L18 HydrophobicContact CB-CD1 3.75Å; A12-L18 HydrophobicContact CB-CG 4.27Å; A12-L35 HydrophobicContact CB-CD1 3.87Å; A12-L38 HydrophobicContact CB-CD1 4.13Å
13E95.6Very high92.8Very high113 Ų11363.3 Ų63.353%0.52834%0.341SS..Hα-helixtrans-60.3-39.2171.7-72.4-179.9173.400111.7I9 E10 L35I9-E13 PolarHBondContact O-N 2.91Å; E10-E13 PolarHBondContact O-N 3.14Å; E13-L35 HydrophobicContact CB-CD2 4.31Å; E13-L35 HydrophobicContact CG-CD2 3.24Å
14K95.9Very high94.6Very high150 Ų15063 Ų6365%0.65233%0.333SS*.Hα-helixtrans-79-42.2-179.8-61.5173.1-168.4167.80112.2E10 N11 A12E10-K14 PolarHBondContact O-N 3.14Å; E10-K14 IonicContact OE1-NZ 2.72Å; E10-K14 PolarHBondContact OE1-NZ 3.37Å; N11-K14 PolarHBondContact O-N 3.46Å; A12-K14 VanDerWaalsContact C-N 3.27Å; A12-K14 PolarHBondContact O-N 3.39Å
15T97.5Very high95.5Very high51 Ų5160 Ų6031%0.31331%0.314SS..Hα-helixtrans-93.8-25.3-17160.90000113.7N11 V17 R39N11-T15 WeakPolarHBondContact O-CB 3.28Å; N11-T15 WeakPolarHBondContact O-CG2 3.43Å; N11-T15 PolarHBondContact O-N 3.23Å; N11-T15 PolarHBondContact O-OG1 3.09Å; T15-V17 PolarHBondContact OG1-N 3.13Å; T15-V17 PolarHBondContact OG1-O 3.36Å; T15-R39 PolarHBondContact O-NH2 3.23Å
16G97.9Very high95.9Very high1 Ų166.2 Ų66.21%0.0134%0.34CS..SBendtrans72.115.7-167.900000113.7A12 R39 S40A12-G16 VanDerWaalsContact O-CA 3.26Å; A12-G16 WeakPolarHBondContact O-CA 3.08Å; A12-G16 PolarHBondContact O-N 3.06Å; G16-R39 PolarHBondContact O-N 3.07Å; G16-S40 PolarHBondContact O-N 3.47Å; G16-S40 VanDerWaalsContact O-N 3.14Å
17V98.5Very high96.1Very high54 Ų5470.6 Ų70.633%0.32735%0.349SS..EExtended strand (participates in β ladder)trans-126.5121.6178.6179.20000109.1A12 T15 Q19A12-V17 WeakPolarHBondContact CA-O 3.34Å; A12-V17 VanDerWaalsContact CB-O 3.32Å; A12-V17 WeakPolarHBondContact CB-O 3.19Å; T15-V17 PolarHBondContact OG1-N 3.13Å; T15-V17 PolarHBondContact OG1-O 3.36Å; V17-Q19 HydrophobicContact CG1-CG 4.33Å
18L98.2Very high96.2Very high1 Ų167.1 Ų67.11%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-115.8115.4176.1-177.664.1000110.3R8 I9 A12 V20 V32 L35 L38 S40 L41 D42R8-L18 HydrophobicContact CB-CD1 3.95Å; R8-L18 WeakPolarHBondContact O-CD1 3.32Å; I9-L18 HydrophobicContact CD1-CD1 4Å; I9-L18 HydrophobicContact CD1-CD2 3.78Å; A12-L18 HydrophobicContact CB-CB 3.7Å; A12-L18 HydrophobicContact CB-CD1 3.75Å; A12-L18 HydrophobicContact CB-CG 4.27Å; L18-V20 HydrophobicContact CD1-CG1 3.76Å; L18-V20 HydrophobicContact CD2-CG1 4.29Å; L18-V20 HydrophobicContact CD2-CG2 4.3Å; L18-V20 HydrophobicContact CG-CG1 3.93Å; L18-V20 HydrophobicContact CG-CG2 4.22Å; L18-V32 HydrophobicContact CD2-CB 4.32Å; L18-V32 HydrophobicContact CD2-CG1 4.07Å; L18-V32 HydrophobicContact CD2-CG2 3.4Å; L18-L35 HydrophobicContact CB-CD1 4.43Å; L18-L35 HydrophobicContact CD2-CD1 3.85Å; L18-L38 HydrophobicContact CB-CD1 3.7Å; L18-L38 HydrophobicContact CB-CD2 4.32Å; L18-S40 PolarHBondContact N-O 2.98Å; L18-L41 HydrophobicContact CB-CD1 4.1Å; L18-L41 HydrophobicContact CD2-CD1 3.78Å; L18-L41 HydrophobicContact CG-CD1 4.17Å; L18-D42 PolarHBondContact O-N 3.19Å
19Q96.6Very high96.2Very high124 Ų12463.5 Ų63.558%0.57931%0.314SS*.EExtended strand (participates in β ladder)trans-108106174-69.9176.7-29.700110R8 V17 D42R8-Q19 WeakPolarHBondContact CD-O 3.42Å; R8-Q19 PolarHBondContact NH1-O 2.88Å; V17-Q19 HydrophobicContact CG1-CG 4.33Å; Q19-D42 HydrophobicContact CG-CB 4.41Å
20V96Very high96Very high0 Ų068.6 Ų68.60%034%0.337CS..  trans-126.931.8180-73.90000111.4R8 L18 L23 L25 D42 L43 N46R8-V20 HydrophobicContact CB-CG1 4.44Å; L18-V20 HydrophobicContact CD1-CG1 3.76Å; L18-V20 HydrophobicContact CD2-CG1 4.29Å; L18-V20 HydrophobicContact CD2-CG2 4.3Å; L18-V20 HydrophobicContact CG-CG1 3.93Å; L18-V20 HydrophobicContact CG-CG2 4.22Å; V20-L23 HydrophobicContact CB-CD1 3.93Å; V20-L23 HydrophobicContact CG1-CD1 4.12Å; V20-L25 HydrophobicContact CB-CD1 4.12Å; V20-L25 HydrophobicContact CG2-CD1 4.29Å; V20-D42 CarbonylContact C-O 3.57Å; V20-D42 VanDerWaalsContact CG2-O 3.29Å; V20-D42 WeakPolarHBondContact CG2-O 3.34Å; V20-D42 PolarHBondContact N-O 3.47Å; V20-L43 HydrophobicContact CG2-CD2 3.5Å; V20-L43 HydrophobicContact CG2-CG 4.26Å; V20-N46 PolarHBondContact O-ND2 3.41Å
21S96.2Very high95.9Very high34 Ų3468.7 Ų68.724%0.23834%0.338CS..THydrogen-bonded Turntrans-69.9151.9177.153.60000113.2L23 S44S21-L23 VanDerWaalsContact C-N 3.26Å; S21-L23 PolarHBondContact O-N 3.08Å; S21-S44 CarbonylContact C-O 3.48Å; S21-S44 WeakPolarHBondContact CA-O 3.28Å; S21-S44 VanDerWaalsContact CB-O 3.22Å; S21-S44 WeakPolarHBondContact CB-O 3.37Å; S21-S44 VanDerWaalsContact CB-OG 3.24Å; S21-S44 WeakPolarHBondContact CB-OG 3.47Å
22S96Very high96Very high81 Ų8164.3 Ų64.357%0.56631%0.314SS*.THydrogen-bonded Turntrans58.929.2175.1-60.50000115.4S44 N45S22-S44 PolarHBondContact N-O 3.43Å; S22-N45 VanDerWaalsContact CA-O 3.27Å; S22-N45 WeakPolarHBondContact CA-O 3.5Å; S22-N45 PolarHBondContact N-O 3.09Å; S22-N45 VanDerWaalsContact OG-CB 3.31Å; S22-N45 WeakPolarHBondContact OG-CB 3.34Å
23L95.8Very high95.9Very high34 Ų3467.2 Ų67.218%0.17833%0.327CS..SBendtrans-100.18.1-178.6-67.7-172.8000113.8I5 V20 S21 L25 N46I5-L23 HydrophobicContact CG1-CD1 4.13Å; V20-L23 HydrophobicContact CB-CD1 3.93Å; V20-L23 HydrophobicContact CG1-CD1 4.12Å; S21-L23 VanDerWaalsContact C-N 3.26Å; S21-L23 PolarHBondContact O-N 3.08Å; L23-L25 HydrophobicContact CB-CD1 4.21Å; L23-L25 HydrophobicContact CB-CD2 4.11Å; L23-L25 HydrophobicContact CB-CG 3.78Å; L23-L25 PolarHBondContact O-N 2.95Å; L23-N46 WeakPolarHBondContact CA-OD1 3.45Å; L23-N46 PolarHBondContact N-OD1 3.42Å
24K95.5Very high95.9Very high139 Ų13967 Ų6760%0.60433%0.326SS*.  trans5628.1-176.7-55.3176.2-179.1175.90112.6K26 N46K24-K26 PolarHBondContact O-N 3.25Å; K24-N46 PolarHBondContact N-OD1 3.08Å
25L95.9Very high95.9Very high16 Ų1660.1 Ų60.18%0.08430%0.296CS..  trans-64.2133.1-179.1-59.7173.6000110.1I5 V20 L23 P29 L43 N46 K47 I48I5-L25 HydrophobicContact CD1-CD2 3.71Å; V20-L25 HydrophobicContact CB-CD1 4.12Å; V20-L25 HydrophobicContact CG2-CD1 4.29Å; L23-L25 HydrophobicContact CB-CD1 4.21Å; L23-L25 HydrophobicContact CB-CD2 4.11Å; L23-L25 HydrophobicContact CB-CG 3.78Å; L23-L25 PolarHBondContact O-N 2.95Å; L25-P29 HydrophobicContact CD1-CG 4.15Å; L25-P29 HydrophobicContact CD2-CG 4.43Å; L25-L43 HydrophobicContact CD1-CD2 4.49Å; L25-N46 HydrophobicContact CB-CB 4.1Å; L25-N46 WeakPolarHBondContact CB-OD1 3.46Å; L25-N46 WeakPolarHBondContact CG-OD1 3.47Å; L25-N46 PolarHBondContact N-OD1 3.49Å; L25-K47 CarbonylContact O-C 3.55Å; L25-K47 VanDerWaalsContact O-CA 3.23Å; L25-K47 WeakPolarHBondContact O-CA 3.24Å; L25-K47 WeakPolarHBondContact O-CB 3.3Å; L25-K47 PolarHBondContact O-N 2.9Å; L25-I48 HydrophobicContact CB-CG1 4.28Å; L25-I48 PolarHBondContact O-N 2.85Å
26K96.5Very high95.8Very high153 Ų15364.6 Ų64.667%0.66531%0.307SS*.SBendtrans-90.5-18.7173.7-65.4-174.5178.5-176.70113.3K24 I48K24-K26 PolarHBondContact O-N 3.25Å; K26-I48 WeakPolarHBondContact O-CA 3.26Å
27K96.2Very high95.7Very high151 Ų15169.6 Ų69.666%0.65733%0.334SS*.SBendtrans-146.6157.8179.7-65.6-171.3176.8-172.40108.8
28V95.7Very high95.7Very high5 Ų567.1 Ų67.13%0.0332%0.319CS..  trans-65.6129.5170.4-170.30000108.3E30 V32 L43 I48 I51 W54V28-E30 PolarHBondContact O-N 2.95Å; V28-V32 HydrophobicContact CG1-CB 4.27Å; V28-V32 HydrophobicContact CG1-CG1 4.45Å; V28-V32 HydrophobicContact CG1-CG2 4.24Å; V28-L43 HydrophobicContact CG1-CD1 4.06Å; V28-L43 HydrophobicContact CG1-CD2 4.01Å; V28-L43 HydrophobicContact CG2-CD1 3.73Å; V28-L43 HydrophobicContact CG2-CD2 4.32Å; V28-I48 HydrophobicContact CG2-CD1 4.21Å; V28-I48 HydrophobicContact CG2-CG2 4.22Å; V28-I51 HydrophobicContact CG2-CD1 3.82Å; V28-W54 HydrophobicContact CB-CH2 4.04Å; V28-W54 HydrophobicContact CB-CZ2 3.77Å; V28-W54 HydrophobicContact CG1-CH2 3.44Å; V28-W54 VanDerWaalsContact CG1-CH2 3.44Å; V28-W54 HydrophobicContact CG1-CZ2 3.71Å
29P93Very high95.7Very high15 Ų1572.5 Ų72.510%0.09734%0.339CS..  trans-61.3134.1-179.4-21.632.4000111.1I5 L25 Q31 V32I5-P29 HydrophobicContact CD1-CG 4.03Å; I5-P29 HydrophobicContact CG2-CB 4.46Å; I5-P29 HydrophobicContact CG2-CG 4.34Å; L25-P29 HydrophobicContact CD1-CG 4.15Å; L25-P29 HydrophobicContact CD2-CG 4.43Å; P29-Q31 PolarHBondContact O-N 3.29Å; P29-Q31 VanDerWaalsContact O-N 3.12Å; P29-V32 HydrophobicContact CB-CG2 4.22Å; P29-V32 HydrophobicContact CG-CG2 4.46Å; P29-V32 VanDerWaalsContact O-CB 3.3Å; P29-V32 WeakPolarHBondContact O-CB 3.3Å; P29-V32 VanDerWaalsContact O-CG2 3.26Å; P29-V32 WeakPolarHBondContact O-CG2 3.47Å; P29-V32 PolarHBondContact O-N 3.31Å
30E91.4Very high95.8Very high121 Ų12168 Ų6857%0.56532%0.322SS*.G310 helixtrans-59.7-29-176.8-73.9-163-163.200113.3V28 V32 K33V28-E30 PolarHBondContact O-N 2.95Å; E30-V32 PolarHBondContact O-N 3.26Å; E30-V32 VanDerWaalsContact O-N 3.1Å; E30-K33 HydrophobicContact CB-CD 4.41Å; E30-K33 WeakPolarHBondContact O-CB 3.14Å; E30-K33 WeakPolarHBondContact O-CD 3.33Å; E30-K33 WeakPolarHBondContact O-CG 3.31Å; E30-K33 PolarHBondContact O-N 3.26Å; E30-K33 IonicContact OE2-NZ 2.74Å; E30-K33 PolarHBondContact OE2-NZ 2.97Å
31Q94Very high95.9Very high106 Ų10668 Ų6850%0.49532%0.322SS..G310 helixtrans-57.3-27.9178.6-62.684-7.500112.2I9 P29 K33 H34I9-Q31 HydrophobicContact CD1-CB 4.15Å; I9-Q31 HydrophobicContact CG1-CB 4.18Å; I9-Q31 HydrophobicContact CG2-CB 4.25Å; P29-Q31 PolarHBondContact O-N 3.29Å; P29-Q31 VanDerWaalsContact O-N 3.12Å; Q31-K33 PolarHBondContact O-N 3.48Å; Q31-H34 PolarHBondContact O-N 3.23Å; Q31-H34 VanDerWaalsContact O-N 3.13Å
32V96.1Very high96.1Very high0 Ų067.8 Ų67.80%032%0.317CS..G310 helixtrans-60.6-30.3177.8-177.50000111.6I9 L18 V28 P29 E30 H34 L35 L38 L41 W54 L58I9-V32 HydrophobicContact CD1-CG2 3.89Å; L18-V32 HydrophobicContact CD2-CB 4.32Å; L18-V32 HydrophobicContact CD2-CG1 4.07Å; L18-V32 HydrophobicContact CD2-CG2 3.4Å; V28-V32 HydrophobicContact CG1-CB 4.27Å; V28-V32 HydrophobicContact CG1-CG1 4.45Å; V28-V32 HydrophobicContact CG1-CG2 4.24Å; P29-V32 HydrophobicContact CB-CG2 4.22Å; P29-V32 HydrophobicContact CG-CG2 4.46Å; P29-V32 VanDerWaalsContact O-CB 3.3Å; P29-V32 WeakPolarHBondContact O-CB 3.3Å; P29-V32 VanDerWaalsContact O-CG2 3.26Å; P29-V32 WeakPolarHBondContact O-CG2 3.47Å; P29-V32 PolarHBondContact O-N 3.31Å; E30-V32 PolarHBondContact O-N 3.26Å; E30-V32 VanDerWaalsContact O-N 3.1Å; V32-H34 PolarHBondContact O-N 2.99Å; V32-L35 HydrophobicContact CG1-CD1 4.36Å; V32-L35 WeakPolarHBondContact O-CB 3.44Å; V32-L35 PolarHBondContact O-N 2.83Å; V32-L38 HydrophobicContact CG1-CD2 4.15Å; V32-L41 HydrophobicContact CG1-CD1 4.16Å; V32-L41 HydrophobicContact CG1-CD2 4.07Å; V32-W54 HydrophobicContact CB-CH2 3.88Å; V32-W54 HydrophobicContact CB-CZ3 4.28Å; V32-W54 HydrophobicContact CG1-CH2 4.08Å; V32-W54 HydrophobicContact CG1-CZ3 4.2Å; V32-L58 HydrophobicContact CG1-CD1 4.25Å
33K95.4Very high96.2Very high62 Ų6263.9 Ų63.927%0.2729%0.29SS..G310 helixtrans-60.6-19.2178.485.2-160.5168.9-1770113.5E30 Q31 W54E30-K33 HydrophobicContact CB-CD 4.41Å; E30-K33 WeakPolarHBondContact O-CB 3.14Å; E30-K33 WeakPolarHBondContact O-CD 3.33Å; E30-K33 WeakPolarHBondContact O-CG 3.31Å; E30-K33 PolarHBondContact O-N 3.26Å; E30-K33 IonicContact OE2-NZ 2.74Å; E30-K33 PolarHBondContact OE2-NZ 2.97Å; Q31-K33 PolarHBondContact O-N 3.48Å; K33-W54 HydrophobicContact CB-CD2 3.92Å; K33-W54 HydrophobicContact CB-CE3 3.54Å; K33-W54 HydrophobicContact CB-CG 4.5Å; K33-W54 HydrophobicContact CB-CZ3 3.93Å
34H95.6Very high96.3Very high110 Ų11062.6 Ų62.651%0.50928%0.284SS..G310 helixtrans-91.5-10.2-179.8-59.5-68.5000113.5Q31 V32 R36Q31-H34 PolarHBondContact O-N 3.23Å; Q31-H34 VanDerWaalsContact O-N 3.13Å; V32-H34 PolarHBondContact O-N 2.99Å; H34-R36 VanDerWaalsContact C-N 3.28Å; H34-R36 PolarHBondContact O-N 3.35Å
35L96.9Very high96.4Very high5 Ų559 Ų593%0.02627%0.272CS..  trans-78.769.9-178.1-57.6179.5000111.7I9 A12 E13 L18 V32 N37 L38I9-L35 HydrophobicContact CD1-CD1 4.11Å; I9-L35 HydrophobicContact CG2-CD2 4.06Å; A12-L35 HydrophobicContact CB-CD1 3.87Å; E13-L35 HydrophobicContact CB-CD2 4.31Å; E13-L35 HydrophobicContact CG-CD2 3.24Å; L18-L35 HydrophobicContact CB-CD1 4.43Å; L18-L35 HydrophobicContact CD2-CD1 3.85Å; V32-L35 HydrophobicContact CG1-CD1 4.36Å; V32-L35 WeakPolarHBondContact O-CB 3.44Å; V32-L35 PolarHBondContact O-N 2.83Å; L35-N37 PolarHBondContact O-N 2.96Å; L35-N37 VanDerWaalsContact O-N 3.12Å; L35-L38 HydrophobicContact CB-CB 3.91Å; L35-L38 HydrophobicContact CB-CD1 4.34Å; L35-L38 HydrophobicContact CB-CD2 4.41Å; L35-L38 HydrophobicContact CB-CG 4.47Å; L35-L38 HydrophobicContact CD1-CD1 4.03Å; L35-L38 HydrophobicContact CD1-CD2 4.31Å; L35-L38 WeakPolarHBondContact O-CB 3.2Å; L35-L38 PolarHBondContact O-N 2.89Å
36R93.8Very high96.5Very high145 Ų14558.9 Ų58.955%0.54727%0.271SS..THydrogen-bonded Turntrans-61.2-24.5-173.3-56.7-55.9175.7136.4-7.1114.6H34 N60H34-R36 VanDerWaalsContact C-N 3.28Å; H34-R36 PolarHBondContact O-N 3.35Å; R36-N60 PolarHBondContact O-ND2 3.13Å
37N96.3Very high96.6Very high105 Ų10556.2 Ų56.256%0.56126%0.259SS*.THydrogen-bonded Turntrans-96.88.5178.8-65.6-33.3000113.4L35 R39L35-N37 PolarHBondContact O-N 2.96Å; L35-N37 VanDerWaalsContact O-N 3.12Å; N37-R39 PolarHBondContact O-N 3.05Å
38L98.5Very high96.7Very high2 Ų249 Ų491%0.0123%0.228CC..  trans-65.3127.1-178.5-160.872.1000110.9A12 L18 V32 L35 L41 L58 N60 L61A12-L38 HydrophobicContact CB-CD1 4.13Å; L18-L38 HydrophobicContact CB-CD1 3.7Å; L18-L38 HydrophobicContact CB-CD2 4.32Å; V32-L38 HydrophobicContact CG1-CD2 4.15Å; L35-L38 HydrophobicContact CB-CB 3.91Å; L35-L38 HydrophobicContact CB-CD1 4.34Å; L35-L38 HydrophobicContact CB-CD2 4.41Å; L35-L38 HydrophobicContact CB-CG 4.47Å; L35-L38 HydrophobicContact CD1-CD1 4.03Å; L35-L38 HydrophobicContact CD1-CD2 4.31Å; L35-L38 WeakPolarHBondContact O-CB 3.2Å; L35-L38 PolarHBondContact O-N 2.89Å; L38-L41 HydrophobicContact CD2-CB 3.88Å; L38-L41 HydrophobicContact CD2-CD1 4.15Å; L38-L41 HydrophobicContact CD2-CD2 4.34Å; L38-L41 HydrophobicContact CD2-CG 4.35Å; L38-L58 HydrophobicContact CD2-CD1 4.07Å; L38-N60 CarbonylContact O-C 3.06Å; L38-N60 WeakPolarHBondContact O-CB 3.27Å; L38-L61 HydrophobicContact CD2-CD1 4.18Å; L38-L61 HydrophobicContact CG-CD1 4.23Å; L38-L61 WeakPolarHBondContact O-CA 3.26Å; L38-L61 PolarHBondContact O-N 3.07Å; L38-L61 VanDerWaalsContact O-N 3.12Å
39R98.6Very high96.8Very high114 Ų11453.7 Ų53.743%0.4325%0.25SC..  trans-111.4-28.5178.9-61.2-173.9-60.9-75.61112.3T15 G16 N37 N60 K62 V63T15-R39 PolarHBondContact O-NH2 3.23Å; G16-R39 PolarHBondContact O-N 3.07Å; N37-R39 PolarHBondContact O-N 3.05Å; R39-N60 WeakPolarHBondContact CA-O 3.43Å; R39-K62 WeakPolarHBondContact O-CA 3.09Å; R39-K62 WeakPolarHBondContact O-CB 3.23Å; R39-K62 PolarHBondContact O-N 3.01Å; R39-V63 PolarHBondContact O-N 3.1Å
40S98.8Very high97Very high31 Ų3157 Ų5722%0.21727%0.266CS..EExtended strand (participates in β ladder)trans-134.5127.7177.8-177.20000110.5G16 L18G16-S40 PolarHBondContact O-N 3.47Å; G16-S40 VanDerWaalsContact O-N 3.14Å; L18-S40 PolarHBondContact N-O 2.98Å
41L98.6Very high97.3Very high0 Ų051.6 Ų51.60%024%0.241CC..EExtended strand (participates in β ladder)trans-125.6110.417817854.8000109.4L18 V32 L38 L43 I55 L58 L61 V63 L64 N65L18-L41 HydrophobicContact CB-CD1 4.1Å; L18-L41 HydrophobicContact CD2-CD1 3.78Å; L18-L41 HydrophobicContact CG-CD1 4.17Å; V32-L41 HydrophobicContact CG1-CD1 4.16Å; V32-L41 HydrophobicContact CG1-CD2 4.07Å; L38-L41 HydrophobicContact CD2-CB 3.88Å; L38-L41 HydrophobicContact CD2-CD1 4.15Å; L38-L41 HydrophobicContact CD2-CD2 4.34Å; L38-L41 HydrophobicContact CD2-CG 4.35Å; L41-L43 HydrophobicContact CD1-CD1 4.21Å; L41-L43 HydrophobicContact CD1-CD2 4.33Å; L41-L43 HydrophobicContact CD1-CG 3.92Å; L41-L43 HydrophobicContact CD2-CD1 3.79Å; L41-L43 HydrophobicContact CD2-CG 4.42Å; L41-L43 HydrophobicContact CG-CD1 3.82Å; L41-L43 HydrophobicContact CG-CG 3.94Å; L41-I55 HydrophobicContact CD2-CD1 3.92Å; L41-L58 HydrophobicContact CD2-CD1 4.09Å; L41-L61 HydrophobicContact CB-CD1 3.71Å; L41-V63 PolarHBondContact N-O 3.37Å; L41-L64 HydrophobicContact CB-CD1 4.29Å; L41-L64 HydrophobicContact CD2-CD1 4Å; L41-L64 HydrophobicContact CG-CD1 4.16Å; L41-N65 PolarHBondContact O-N 3.39Å
42D98.6Very high97.4Very high28 Ų2849 Ų4915%0.1523%0.231CC..EExtended strand (participates in β ladder)trans-106.8107.6174.9178.317.5000110.7L18 Q19 V20 S44 N65L18-D42 PolarHBondContact O-N 3.19Å; Q19-D42 HydrophobicContact CG-CB 4.41Å; V20-D42 CarbonylContact C-O 3.57Å; V20-D42 VanDerWaalsContact CG2-O 3.29Å; V20-D42 WeakPolarHBondContact CG2-O 3.34Å; V20-D42 PolarHBondContact N-O 3.47Å; D42-S44 WeakPolarHBondContact OD1-CB 3.42Å; D42-S44 PolarHBondContact OD1-N 3.24Å; D42-S44 PolarHBondContact OD1-OG 2.98Å; D42-N65 HydrophobicContact CB-CB 4.5Å; D42-N65 PolarHBondContact OD1-ND2 3.47Å
43L98.3Very high97.3Very high0 Ų052.1 Ų52.10%025%0.251CS..  trans-109.913.2177.2-70.1161.2000111.5V20 L25 V28 L41 N46 I48 I51 L64 N65 V66 N69V20-L43 HydrophobicContact CG2-CD2 3.5Å; V20-L43 HydrophobicContact CG2-CG 4.26Å; L25-L43 HydrophobicContact CD1-CD2 4.49Å; V28-L43 HydrophobicContact CG1-CD1 4.06Å; V28-L43 HydrophobicContact CG1-CD2 4.01Å; V28-L43 HydrophobicContact CG2-CD1 3.73Å; V28-L43 HydrophobicContact CG2-CD2 4.32Å; L41-L43 HydrophobicContact CD1-CD1 4.21Å; L41-L43 HydrophobicContact CD1-CD2 4.33Å; L41-L43 HydrophobicContact CD1-CG 3.92Å; L41-L43 HydrophobicContact CD2-CD1 3.79Å; L41-L43 HydrophobicContact CD2-CG 4.42Å; L41-L43 HydrophobicContact CG-CD1 3.82Å; L41-L43 HydrophobicContact CG-CG 3.94Å; L43-N46 PolarHBondContact O-ND2 3.06Å; L43-I48 HydrophobicContact CB-CD1 3.84Å; L43-I48 HydrophobicContact CD1-CD1 4.35Å; L43-I48 HydrophobicContact CD2-CD1 3.74Å; L43-I48 HydrophobicContact CG-CD1 4.2Å; L43-I51 HydrophobicContact CD1-CD1 4.31Å; L43-L64 HydrophobicContact CD1-CD1 4.44Å; L43-N65 WeakPolarHBondContact CA-O 3.44Å; L43-N65 WeakPolarHBondContact CB-O 3.45Å; L43-N65 PolarHBondContact N-O 2.84Å; L43-V66 HydrophobicContact CB-CG1 4.17Å; L43-V66 HydrophobicContact CD1-CG1 4.01Å; L43-N69 PolarHBondContact O-ND2 3.47Å
44S98.6Very high97.3Very high6 Ų651.5 Ų51.54%0.04225%0.247CC..  trans-60.8156.7-172.961.90000113.6S21 S22 D42 N46 E67S21-S44 CarbonylContact C-O 3.48Å; S21-S44 WeakPolarHBondContact CA-O 3.28Å; S21-S44 VanDerWaalsContact CB-O 3.22Å; S21-S44 WeakPolarHBondContact CB-O 3.37Å; S21-S44 VanDerWaalsContact CB-OG 3.24Å; S21-S44 WeakPolarHBondContact CB-OG 3.47Å; S22-S44 PolarHBondContact N-O 3.43Å; D42-S44 WeakPolarHBondContact OD1-CB 3.42Å; D42-S44 PolarHBondContact OD1-N 3.24Å; D42-S44 PolarHBondContact OD1-OG 2.98Å; S44-N46 VanDerWaalsContact C-N 3.31Å; S44-N46 PolarHBondContact O-N 2.88Å; S44-N46 PolarHBondContact O-ND2 3.31Å; S44-E67 CarbonylContact C-O 3.02Å; S44-E67 WeakPolarHBondContact CA-O 3.4Å
45N98.5Very high97.4Very high65 Ų6546.3 Ų46.335%0.34822%0.223SC..SBendtrans58.739174.3-59-76.5000113.6S22 E67 N68S22-N45 VanDerWaalsContact CA-O 3.27Å; S22-N45 WeakPolarHBondContact CA-O 3.5Å; S22-N45 PolarHBondContact N-O 3.09Å; S22-N45 VanDerWaalsContact OG-CB 3.31Å; S22-N45 WeakPolarHBondContact OG-CB 3.34Å; N45-E67 PolarHBondContact N-O 3.07Å; N45-N68 VanDerWaalsContact CA-O 3.3Å; N45-N68 WeakPolarHBondContact CA-O 3.41Å; N45-N68 PolarHBondContact N-O 3.34Å; N45-N68 PolarHBondContact OD1-ND2 2.8Å
46N98.2Very high97.3Very high12 Ų1246.9 Ų46.96%0.06423%0.227CC..SBendtrans-112.6-158.9176.6-80.4-62.9000110.3V20 L23 K24 L25 L43 S44 I48 N68 N69V20-N46 PolarHBondContact O-ND2 3.41Å; L23-N46 WeakPolarHBondContact CA-OD1 3.45Å; L23-N46 PolarHBondContact N-OD1 3.42Å; K24-N46 PolarHBondContact N-OD1 3.08Å; L25-N46 HydrophobicContact CB-CB 4.1Å; L25-N46 WeakPolarHBondContact CB-OD1 3.46Å; L25-N46 WeakPolarHBondContact CG-OD1 3.47Å; L25-N46 PolarHBondContact N-OD1 3.49Å; L43-N46 PolarHBondContact O-ND2 3.06Å; S44-N46 VanDerWaalsContact C-N 3.31Å; S44-N46 PolarHBondContact O-N 2.88Å; S44-N46 PolarHBondContact O-ND2 3.31Å; N46-I48 HydrophobicContact CB-CD1 4.04Å; N46-I48 HydrophobicContact CB-CG1 4.05Å; N46-N68 PolarHBondContact N-O 3.31Å; N46-N69 VanDerWaalsContact CA-OD1 3.31Å; N46-N69 WeakPolarHBondContact CA-OD1 3.43Å; N46-N69 WeakPolarHBondContact CB-OD1 3.41Å; N46-N69 PolarHBondContact N-OD1 3.36Å
47K98.1Very high97.4Very high98 Ų9842 Ų4243%0.42621%0.213SC..  trans-127.830.8177.6-58.6-175179.4-172.90110.2L25 E49 N69L25-K47 CarbonylContact O-C 3.55Å; L25-K47 VanDerWaalsContact O-CA 3.23Å; L25-K47 WeakPolarHBondContact O-CA 3.24Å; L25-K47 WeakPolarHBondContact O-CB 3.3Å; L25-K47 PolarHBondContact O-N 2.9Å; K47-E49 PolarHBondContact O-N 3.44Å; K47-N69 PolarHBondContact N-OD1 3Å
48I98.4Very high97.5Very high0 Ų037 Ų370%019%0.187CC..  trans-71.7125.4-175-61.8163.4000108.6L25 K26 V28 L43 N46 N50 I51 N69 K70 L71L25-I48 HydrophobicContact CB-CG1 4.28Å; L25-I48 PolarHBondContact O-N 2.85Å; K26-I48 WeakPolarHBondContact O-CA 3.26Å; V28-I48 HydrophobicContact CG2-CD1 4.21Å; V28-I48 HydrophobicContact CG2-CG2 4.22Å; L43-I48 HydrophobicContact CB-CD1 3.84Å; L43-I48 HydrophobicContact CD1-CD1 4.35Å; L43-I48 HydrophobicContact CD2-CD1 3.74Å; L43-I48 HydrophobicContact CG-CD1 4.2Å; N46-I48 HydrophobicContact CB-CD1 4.04Å; N46-I48 HydrophobicContact CB-CG1 4.05Å; I48-N50 WeakPolarHBondContact CG2-O 3.31Å; I48-I51 HydrophobicContact CG2-CD1 4.16Å; I48-N69 HydrophobicContact CB-CB 4.4Å; I48-N69 VanDerWaalsContact CB-OD1 3.31Å; I48-N69 WeakPolarHBondContact CB-OD1 3.45Å; I48-N69 PolarHBondContact N-OD1 3.46Å; I48-K70 CarbonylContact O-C 3.6Å; I48-K70 WeakPolarHBondContact O-CA 3.43Å; I48-K70 PolarHBondContact O-N 3.45Å; I48-L71 HydrophobicContact CG2-CD2 3.96Å; I48-L71 PolarHBondContact O-N 3.12Å
49E97.8Very high97.4Very high103 Ų10341.4 Ų41.448%0.48121%0.206SC..  trans-93.6-26.1-177.6-67.5176.7-167.600112.8K47 K70 L71K47-E49 PolarHBondContact O-N 3.44Å; E49-K70 HydrophobicContact CG-CB 4.07Å; E49-K70 HydrophobicContact CG-CD 4.48Å; E49-L71 WeakPolarHBondContact O-CA 3.09Å
50N96.8Very high97.4Very high84 Ų8438 Ų3845%0.44920%0.196SC..  trans-145.1145.5179.2-56.8-73.1000110.6I48I48-N50 WeakPolarHBondContact CG2-O 3.31Å
51I97.5Very high97.4Very high8 Ų836.6 Ų36.64%0.04119%0.186CC..  trans-93.2122.2161.2-57.7-56.7000106.8V28 L43 I48 I55 V66 L71 F74 P75V28-I51 HydrophobicContact CG2-CD1 3.82Å; L43-I51 HydrophobicContact CD1-CD1 4.31Å; I48-I51 HydrophobicContact CG2-CD1 4.16Å; I51-I55 HydrophobicContact CG2-CB 3.79Å; I51-I55 HydrophobicContact CG2-CD1 4.25Å; I51-I55 HydrophobicContact CG2-CG1 3.95Å; I51-I55 HydrophobicContact CG2-CG2 3.9Å; I51-V66 HydrophobicContact CD1-CG1 3.72Å; I51-V66 HydrophobicContact CG1-CG1 4.29Å; I51-L71 HydrophobicContact CD1-CD1 4.26Å; I51-L71 HydrophobicContact CD1-CD2 4.15Å; I51-L71 HydrophobicContact CG1-CD1 3.79Å; I51-L71 HydrophobicContact CG1-CD2 3.91Å; I51-F74 HydrophobicContact CG1-CD1 4.44Å; I51-F74 HydrophobicContact CG1-CE1 4.45Å; I51-P75 HydrophobicContact CB-CG 4.34Å; I51-P75 HydrophobicContact CG2-CG 4.18Å; I51-P75 WeakPolarHBondContact O-CD 3.34Å; I51-P75 WeakPolarHBondContact O-CG 3.38Å
52D95.7Very high97.4Very high51 Ų5140.1 Ų40.127%0.27320%0.202SC..  trans-74.7151.1-176.4-63.4-41.4000111.7W54 I55D52-W54 HydrophobicContact CB-CD2 4.45Å; D52-W54 HydrophobicContact CB-CG 4.07Å; D52-W54 PolarHBondContact O-N 2.82Å; D52-W54 PolarHBondContact OD2-NE1 2.8Å; D52-I55 WeakPolarHBondContact O-CB 3.45Å; D52-I55 WeakPolarHBondContact O-CG2 3.5Å; D52-I55 PolarHBondContact O-N 3.26Å
53P95.3Very high97.4Very high65 Ų6541.2 Ų41.242%0.42221%0.209SC..G310 helixtrans-49.9-29.5175.7-35.440.3000115.9I55 S56 P75 E77P53-I55 PolarHBondContact O-N 3.41Å; P53-S56 WeakPolarHBondContact O-CB 3.22Å; P53-S56 PolarHBondContact O-N 2.84Å; P53-S56 PolarHBondContact O-OG 3.07Å; P53-P75 HydrophobicContact CG-CB 4.42Å; P53-E77 VanDerWaalsContact CB-CD 3.5Å; P53-E77 HydrophobicContact CB-CG 4.12Å; P53-E77 WeakPolarHBondContact CB-OE2 3.26Å
54W95.4Very high97.4Very high50 Ų5041.2 Ų41.219%0.18921%0.209CC..G310 helixtrans-63.9-12.9179.465.7-107.7000112.9V28 V32 K33 D52 S56 V57 L58V28-W54 HydrophobicContact CB-CH2 4.04Å; V28-W54 HydrophobicContact CB-CZ2 3.77Å; V28-W54 HydrophobicContact CG1-CH2 3.44Å; V28-W54 VanDerWaalsContact CG1-CH2 3.44Å; V28-W54 HydrophobicContact CG1-CZ2 3.71Å; V32-W54 HydrophobicContact CB-CH2 3.88Å; V32-W54 HydrophobicContact CB-CZ3 4.28Å; V32-W54 HydrophobicContact CG1-CH2 4.08Å; V32-W54 HydrophobicContact CG1-CZ3 4.2Å; K33-W54 HydrophobicContact CB-CD2 3.92Å; K33-W54 HydrophobicContact CB-CE3 3.54Å; K33-W54 HydrophobicContact CB-CG 4.5Å; K33-W54 HydrophobicContact CB-CZ3 3.93Å; D52-W54 HydrophobicContact CB-CD2 4.45Å; D52-W54 HydrophobicContact CB-CG 4.07Å; D52-W54 PolarHBondContact O-N 2.82Å; D52-W54 PolarHBondContact OD2-NE1 2.8Å; W54-S56 PolarHBondContact O-N 3.15Å; W54-V57 WeakPolarHBondContact O-CB 3.4Å; W54-V57 VanDerWaalsContact O-CG2 3.28Å; W54-V57 WeakPolarHBondContact O-CG2 3.07Å; W54-V57 PolarHBondContact O-N 2.93Å; W54-L58 HydrophobicContact CZ3-CD1 4.39Å
55I96.2Very high97.4Very high1 Ų142.3 Ų42.31%0.00522%0.215CC..G310 helixtrans-50.6-34172.7-165.671.7000111.6L41 I51 D52 P53 V57 L58 P75 L81L41-I55 HydrophobicContact CD2-CD1 3.92Å; I51-I55 HydrophobicContact CG2-CB 3.79Å; I51-I55 HydrophobicContact CG2-CD1 4.25Å; I51-I55 HydrophobicContact CG2-CG1 3.95Å; I51-I55 HydrophobicContact CG2-CG2 3.9Å; D52-I55 WeakPolarHBondContact O-CB 3.45Å; D52-I55 WeakPolarHBondContact O-CG2 3.5Å; D52-I55 PolarHBondContact O-N 3.26Å; P53-I55 PolarHBondContact O-N 3.41Å; I55-V57 PolarHBondContact O-N 2.82Å; I55-L58 HydrophobicContact CD1-CD1 3.69Å; I55-L58 WeakPolarHBondContact O-CB 3.34Å; I55-L58 WeakPolarHBondContact O-CG 3.27Å; I55-L58 PolarHBondContact O-N 2.8Å; I55-P75 HydrophobicContact CG2-CG 4Å; I55-L81 HydrophobicContact CG1-CD1 4.21Å; I55-L81 WeakPolarHBondContact O-CD2 3.2Å
56S94.7Very high97.4Very high16 Ų1639.2 Ų39.211%0.11220%0.198CC..G310 helixtrans-59-15.4176.761.50000115.5P53 W54 L58 K59P53-S56 WeakPolarHBondContact O-CB 3.22Å; P53-S56 PolarHBondContact O-N 2.84Å; P53-S56 PolarHBondContact O-OG 3.07Å; W54-S56 PolarHBondContact O-N 3.15Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-K59 WeakPolarHBondContact O-CD 3.46Å; S56-K59 WeakPolarHBondContact O-CE 3.49Å; S56-K59 PolarHBondContact O-NZ 3.37Å
57V96.8Very high97.4Very high43 Ų4341.5 Ų41.526%0.26121%0.208SC..G310 helixtrans-71.8-23.6174.2176.10000111.6W54 I55 K59W54-V57 WeakPolarHBondContact O-CB 3.4Å; W54-V57 VanDerWaalsContact O-CG2 3.28Å; W54-V57 WeakPolarHBondContact O-CG2 3.07Å; W54-V57 PolarHBondContact O-N 2.93Å; I55-V57 PolarHBondContact O-N 2.82Å; V57-K59 PolarHBondContact O-N 2.76Å
58L97.6Very high97.5Very high0 Ų040.5 Ų40.50%021%0.207CC..  trans-8062.9-179.6-52.1-177.6000111.2V32 L38 L41 W54 I55 S56 N60 L61V32-L58 HydrophobicContact CG1-CD1 4.25Å; L38-L58 HydrophobicContact CD2-CD1 4.07Å; L41-L58 HydrophobicContact CD2-CD1 4.09Å; W54-L58 HydrophobicContact CZ3-CD1 4.39Å; I55-L58 HydrophobicContact CD1-CD1 3.69Å; I55-L58 WeakPolarHBondContact O-CB 3.34Å; I55-L58 WeakPolarHBondContact O-CG 3.27Å; I55-L58 PolarHBondContact O-N 2.8Å; S56-L58 VanDerWaalsContact C-N 3.27Å; L58-N60 PolarHBondContact O-N 3.43Å; L58-L61 HydrophobicContact CB-CB 4.06Å; L58-L61 HydrophobicContact CD1-CD2 4.42Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 PolarHBondContact O-N 3.06Å
59K96.7Very high97.5Very high94 Ų9440.8 Ų40.841%0.40921%0.209SC..THydrogen-bonded Turntrans-58.6-17.1-174.8-60.4-55.6-173.4-165.90115.3S56 V57 L80S56-K59 WeakPolarHBondContact O-CD 3.46Å; S56-K59 WeakPolarHBondContact O-CE 3.49Å; S56-K59 PolarHBondContact O-NZ 3.37Å; V57-K59 PolarHBondContact O-N 2.76Å; K59-L80 PolarHBondContact NZ-O 2.57Å
60N98.1Very high97.5Very high44 Ų4439.9 Ų39.924%0.23520%0.203CC..THydrogen-bonded Turntrans-96.4-0.5178.6-70.2-53.8000113.9R36 L38 R39 L58 K62 K83R36-N60 PolarHBondContact O-ND2 3.13Å; L38-N60 CarbonylContact O-C 3.06Å; L38-N60 WeakPolarHBondContact O-CB 3.27Å; R39-N60 WeakPolarHBondContact CA-O 3.43Å; L58-N60 PolarHBondContact O-N 3.43Å; N60-K62 PolarHBondContact O-N 3.09Å; N60-K83 PolarHBondContact OD1-NZ 2.77Å
61L98.6Very high97.6Very high0 Ų035.9 Ų35.90%018%0.182CC..  trans-68124.1-175-162.871.5000110.6L38 L41 L58 L64 L81 K83 L84L38-L61 HydrophobicContact CD2-CD1 4.18Å; L38-L61 HydrophobicContact CG-CD1 4.23Å; L38-L61 WeakPolarHBondContact O-CA 3.26Å; L38-L61 PolarHBondContact O-N 3.07Å; L38-L61 VanDerWaalsContact O-N 3.12Å; L41-L61 HydrophobicContact CB-CD1 3.71Å; L58-L61 HydrophobicContact CB-CB 4.06Å; L58-L61 HydrophobicContact CD1-CD2 4.42Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 PolarHBondContact O-N 3.06Å; L61-L64 HydrophobicContact CD2-CB 4Å; L61-L64 HydrophobicContact CD2-CD1 4.32Å; L61-L81 HydrophobicContact CB-CD2 4.49Å; L61-L81 HydrophobicContact CD2-CD1 4.17Å; L61-K83 CarbonylContact O-C 3.19Å; L61-L84 HydrophobicContact CD2-CD1 4.48Å; L61-L84 WeakPolarHBondContact O-CA 3.29Å; L61-L84 PolarHBondContact O-N 3.45Å; L61-L84 VanDerWaalsContact O-N 3.17Å
62K98.8Very high97.6Very high75 Ų7541.8 Ų41.833%0.32621%0.208SC..  trans-107.3-33.4176.9-65.9179165.2-123.40112.1R39 N60 K83 E85 S86R39-K62 WeakPolarHBondContact O-CA 3.09Å; R39-K62 WeakPolarHBondContact O-CB 3.23Å; R39-K62 PolarHBondContact O-N 3.01Å; N60-K62 PolarHBondContact O-N 3.09Å; K62-K83 WeakPolarHBondContact CA-O 3.07Å; K62-E85 HydrophobicContact CB-CG 4.45Å; K62-E85 WeakPolarHBondContact CD-OE1 3.35Å; K62-E85 WeakPolarHBondContact CE-OE1 3.21Å; K62-E85 IonicContact NZ-OE1 2.79Å; K62-E85 PolarHBondContact NZ-OE1 3.46Å; K62-E85 WeakPolarHBondContact O-CA 3.09Å; K62-E85 PolarHBondContact O-N 3.29Å; K62-S86 PolarHBondContact O-N 3.17Å
63V98.8Very high97.7Very high50 Ų5040.4 Ų40.430%0.30320%0.201SC..EExtended strand (participates in β ladder)trans-128122.3-178.3-177.10000109.2R39 L41 S86R39-V63 PolarHBondContact O-N 3.1Å; L41-V63 PolarHBondContact N-O 3.37Å; V63-S86 WeakPolarHBondContact CA-O 3.11Å
64L98.8Very high97.8Very high0 Ų037.3 Ų37.30%018%0.181CC..EExtended strand (participates in β ladder)trans-118.2110170.2178.358.2000108.8L41 L43 L61 V66 F74 L78 L84 S86 L87 N88L41-L64 HydrophobicContact CB-CD1 4.29Å; L41-L64 HydrophobicContact CD2-CD1 4Å; L41-L64 HydrophobicContact CG-CD1 4.16Å; L43-L64 HydrophobicContact CD1-CD1 4.44Å; L61-L64 HydrophobicContact CD2-CB 4Å; L61-L64 HydrophobicContact CD2-CD1 4.32Å; L64-V66 HydrophobicContact CD1-CG1 3.78Å; L64-V66 HydrophobicContact CG-CG1 4.07Å; L64-F74 HydrophobicContact CD2-CE1 4.46Å; L64-L78 HydrophobicContact CD2-CD1 4.31Å; L64-L84 HydrophobicContact CB-CD1 3.92Å; L64-S86 PolarHBondContact N-O 3.19Å; L64-L87 HydrophobicContact CB-CD1 4.14Å; L64-L87 HydrophobicContact CD2-CD1 3.84Å; L64-L87 HydrophobicContact CG-CD1 4.11Å; L64-N88 PolarHBondContact O-N 3.3Å
65N98.8Very high97.8Very high30 Ų3035.2 Ų35.216%0.1617%0.174CC..EExtended strand (participates in β ladder)trans-108.7114.8173.6-172.37.2000110.3L41 D42 L43 E67 N88L41-N65 PolarHBondContact O-N 3.39Å; D42-N65 HydrophobicContact CB-CB 4.5Å; D42-N65 PolarHBondContact OD1-ND2 3.47Å; L43-N65 WeakPolarHBondContact CA-O 3.44Å; L43-N65 WeakPolarHBondContact CB-O 3.45Å; L43-N65 PolarHBondContact N-O 2.84Å; N65-E67 WeakPolarHBondContact OD1-CB 3.25Å; N65-E67 PolarHBondContact OD1-N 3.33Å; N65-N88 HydrophobicContact CB-CB 4.45Å; N65-N88 PolarHBondContact OD1-ND2 2.61Å
66V98.7Very high97.7Very high0 Ų036.1 Ų36.10%018%0.182CC..  trans-125.522177.3-62.30000111.1L43 I51 L64 N69 L71 F74 N88 N92L43-V66 HydrophobicContact CB-CG1 4.17Å; L43-V66 HydrophobicContact CD1-CG1 4.01Å; I51-V66 HydrophobicContact CD1-CG1 3.72Å; I51-V66 HydrophobicContact CG1-CG1 4.29Å; L64-V66 HydrophobicContact CD1-CG1 3.78Å; L64-V66 HydrophobicContact CG-CG1 4.07Å; V66-N69 WeakPolarHBondContact O-CB 3.45Å; V66-N69 PolarHBondContact O-ND2 3.19Å; V66-L71 HydrophobicContact CB-CD1 3.82Å; V66-L71 HydrophobicContact CG1-CD1 4.45Å; V66-L71 HydrophobicContact CG2-CD1 3.45Å; V66-L71 VanDerWaalsContact CG2-CD1 3.45Å; V66-F74 HydrophobicContact CG2-CE1 3.8Å; V66-F74 HydrophobicContact CG2-CZ 3.73Å; V66-N88 VanDerWaalsContact CG2-O 3.29Å; V66-N88 WeakPolarHBondContact CG2-O 3.31Å; V66-N88 PolarHBondContact N-O 3.33Å; V66-N92 PolarHBondContact O-ND2 3.14Å
67E98.7Very high97.8Very high59 Ų5938.5 Ų38.528%0.27619%0.191SC..  trans-46.5143.7174.3170.5169.1-147.800112.8S44 N45 N65 N69 N88 N90S44-E67 CarbonylContact C-O 3.02Å; S44-E67 WeakPolarHBondContact CA-O 3.4Å; N45-E67 PolarHBondContact N-O 3.07Å; N65-E67 WeakPolarHBondContact OD1-CB 3.25Å; N65-E67 PolarHBondContact OD1-N 3.33Å; E67-N69 PolarHBondContact O-N 3.44Å; E67-N69 PolarHBondContact O-ND2 2.92Å; E67-N69 VanDerWaalsContact O-ND2 3.15Å; E67-N88 PolarHBondContact N-O 2.96Å; E67-N90 WeakPolarHBondContact CA-O 3.49Å; E67-N90 WeakPolarHBondContact CB-OD1 3.2Å; E67-N90 WeakPolarHBondContact CG-OD1 3.32Å; E67-N90 PolarHBondContact OE1-ND2 2.97Å; E67-N90 PolarHBondContact OE1-OD1 3.13Å
68N98.7Very high97.7Very high77 Ų7736.5 Ų36.541%0.41218%0.179SC..SBendtrans54.157.9172.2-166.326.4000112.2N45 N46 N90 S91N45-N68 VanDerWaalsContact CA-O 3.3Å; N45-N68 WeakPolarHBondContact CA-O 3.41Å; N45-N68 PolarHBondContact N-O 3.34Å; N45-N68 PolarHBondContact OD1-ND2 2.8Å; N46-N68 PolarHBondContact N-O 3.31Å; N68-N90 PolarHBondContact N-O 2.94Å; N68-N90 VanDerWaalsContact N-O 3.1Å; N68-S91 WeakPolarHBondContact CA-O 3.24Å; N68-S91 PolarHBondContact N-O 3.34Å
69N98.8Very high97.6Very high7 Ų740.4 Ų40.44%0.03720%0.195CC..SBendtrans-126.4-155.4174.5-86.2-76.3000109.1L43 N46 K47 I48 V66 E67 L71 S91 N92L43-N69 PolarHBondContact O-ND2 3.47Å; N46-N69 VanDerWaalsContact CA-OD1 3.31Å; N46-N69 WeakPolarHBondContact CA-OD1 3.43Å; N46-N69 WeakPolarHBondContact CB-OD1 3.41Å; N46-N69 PolarHBondContact N-OD1 3.36Å; K47-N69 PolarHBondContact N-OD1 3Å; I48-N69 HydrophobicContact CB-CB 4.4Å; I48-N69 VanDerWaalsContact CB-OD1 3.31Å; I48-N69 WeakPolarHBondContact CB-OD1 3.45Å; I48-N69 PolarHBondContact N-OD1 3.46Å; V66-N69 WeakPolarHBondContact O-CB 3.45Å; V66-N69 PolarHBondContact O-ND2 3.19Å; E67-N69 PolarHBondContact O-N 3.44Å; E67-N69 PolarHBondContact O-ND2 2.92Å; E67-N69 VanDerWaalsContact O-ND2 3.15Å; N69-L71 HydrophobicContact CB-CG 4.39Å; N69-S91 PolarHBondContact N-O 3.41Å; N69-N92 VanDerWaalsContact CA-OD1 3.28Å; N69-N92 WeakPolarHBondContact CA-OD1 3.18Å; N69-N92 WeakPolarHBondContact CB-OD1 3.49Å; N69-N92 PolarHBondContact N-OD1 3.04Å; N69-N92 PolarHBondContact O-OD1 3.18Å
70K98.5Very high97.5Very high83 Ų8338.2 Ų38.236%0.36119%0.187SC..  trans-127.626.1-178.3-58.5-170.9172.9-165.70112.2I48 E49 N92 F93I48-K70 CarbonylContact O-C 3.6Å; I48-K70 WeakPolarHBondContact O-CA 3.43Å; I48-K70 PolarHBondContact O-N 3.45Å; E49-K70 HydrophobicContact CG-CB 4.07Å; E49-K70 HydrophobicContact CG-CD 4.48Å; K70-N92 PolarHBondContact N-OD1 3.33Å; K70-N92 VanDerWaalsContact N-OD1 3.14Å; K70-F93 HydrophobicContact CB-CD2 3.73Å; K70-F93 HydrophobicContact CB-CE2 3.75Å; K70-F93 HydrophobicContact CD-CE2 4.05Å; K70-F93 HydrophobicContact CG-CD2 4.16Å; K70-F93 HydrophobicContact CG-CE2 3.63Å; K70-F93 HydrophobicContact CG-CZ 4.48Å
71L98.6Very high97.4Very high0 Ų036.1 Ų36.10%018%0.176CC..  trans-63.4139.4-176.8-60.9-177.6000110.8I48 E49 I51 V66 N69 F74 N92 F93 L94I48-L71 HydrophobicContact CG2-CD2 3.96Å; I48-L71 PolarHBondContact O-N 3.12Å; E49-L71 WeakPolarHBondContact O-CA 3.09Å; I51-L71 HydrophobicContact CD1-CD1 4.26Å; I51-L71 HydrophobicContact CD1-CD2 4.15Å; I51-L71 HydrophobicContact CG1-CD1 3.79Å; I51-L71 HydrophobicContact CG1-CD2 3.91Å; V66-L71 HydrophobicContact CB-CD1 3.82Å; V66-L71 HydrophobicContact CG1-CD1 4.45Å; V66-L71 HydrophobicContact CG2-CD1 3.45Å; V66-L71 VanDerWaalsContact CG2-CD1 3.45Å; N69-L71 HydrophobicContact CB-CG 4.39Å; L71-F74 HydrophobicContact CD1-CE1 4.16Å; L71-F74 HydrophobicContact CD1-CZ 4.29Å; L71-N92 HydrophobicContact CB-CB 4.26Å; L71-N92 WeakPolarHBondContact CB-OD1 3.06Å; L71-N92 WeakPolarHBondContact CG-OD1 3.31Å; L71-N92 PolarHBondContact N-OD1 3.19Å; L71-F93 CarbonylContact O-C 3.18Å; L71-F93 WeakPolarHBondContact O-CA 3.37Å; L71-F93 PolarHBondContact O-N 3.08Å; L71-L94 HydrophobicContact CB-CD2 3.78Å; L71-L94 PolarHBondContact O-N 3.11Å
72K97.8Very high97.3Very high133 Ų13338.4 Ų38.458%0.57819%0.19SC*.SBendtrans-102.3-25.7175.3-64.4-178.6179.4179.20114L94 M95K72-L94 WeakPolarHBondContact O-CA 3.43Å; K72-M95 PolarHBondContact O-N 3.05Å
73C97Very high97.3Very high21 Ų2139.2 Ų39.214%0.14219%0.193CC..  trans-163.6164.817552.80000109T99C73-T99 PolarHBondContact SG-OG1 2.95Å
74F97.6Very high97.3Very high0 Ų036.8 Ų36.80%018%0.179CC..BIsolated β-bridgetrans-87.3152.5163.2-71.1-84000111.2I51 L64 V66 L71 L78 L87 L94 F97 I98 T99 L117I51-F74 HydrophobicContact CG1-CD1 4.44Å; I51-F74 HydrophobicContact CG1-CE1 4.45Å; L64-F74 HydrophobicContact CD2-CE1 4.46Å; V66-F74 HydrophobicContact CG2-CE1 3.8Å; V66-F74 HydrophobicContact CG2-CZ 3.73Å; L71-F74 HydrophobicContact CD1-CE1 4.16Å; L71-F74 HydrophobicContact CD1-CZ 4.29Å; F74-L78 HydrophobicContact CB-CD2 4.09Å; F74-L78 HydrophobicContact CD1-CD1 4.35Å; F74-L78 HydrophobicContact CD1-CD2 4.5Å; F74-L78 HydrophobicContact CG-CD2 4.24Å; F74-L87 HydrophobicContact CE1-CD1 3.8Å; F74-L87 HydrophobicContact CE2-CD2 4.35Å; F74-L87 HydrophobicContact CZ-CD1 3.82Å; F74-L87 HydrophobicContact CZ-CD2 4.37Å; F74-L87 HydrophobicContact CZ-CG 4.28Å; F74-L94 HydrophobicContact CD2-CD1 4.47Å; F74-L94 HydrophobicContact CD2-CD2 4.41Å; F74-L94 HydrophobicContact CE2-CD1 3.86Å; F74-L94 HydrophobicContact CE2-CD2 4.34Å; F74-F97 WeakPolarHBondContact CB-O 3.45Å; F74-F97 AromaticContact CD2-CD2 3.96Å; F74-F97 HydrophobicContact CD2-CD2 3.96Å; F74-F97 AromaticContact CD2-CE2 3.91Å; F74-F97 HydrophobicContact CD2-CE2 3.91Å; F74-F97 HydrophobicContact CE2-CD2 4.5Å; F74-F97 HydrophobicContact CE2-CE2 4.33Å; F74-F97 PolarHBondContact N-O 3.02Å; F74-I98 HydrophobicContact CB-CD1 4.06Å; F74-I98 CarbonylContact O-C 3.47Å; F74-I98 WeakPolarHBondContact O-CA 3.31Å; F74-T99 PolarHBondContact O-N 3.3Å; F74-T99 PolarHBondContact O-OG1 2.81Å; F74-L117 HydrophobicContact CE2-CD2 3.81Å
75P95.9Very high97.3Very high7 Ų740.2 Ų40.25%0.04520%0.195CC..  trans-67.5152.3174.230.4-36.5000110.5I51 P53 I55 E77 L78I51-P75 HydrophobicContact CB-CG 4.34Å; I51-P75 HydrophobicContact CG2-CG 4.18Å; I51-P75 WeakPolarHBondContact O-CD 3.34Å; I51-P75 WeakPolarHBondContact O-CG 3.38Å; P53-P75 HydrophobicContact CG-CB 4.42Å; I55-P75 HydrophobicContact CG2-CG 4Å; P75-E77 WeakPolarHBondContact CB-OE2 3.5Å; P75-E77 PolarHBondContact O-N 3.39Å; P75-L78 WeakPolarHBondContact O-CB 3.38Å; P75-L78 PolarHBondContact O-N 2.94Å
76A94.6Very high97.3Very high20 Ų2040.3 Ų40.317%0.16520%0.197CC..G310 helixtrans-55.1-39.3177.700000111.7L78 Y79 I98 A102 V104A76-L78 PolarHBondContact O-N 3.3Å; A76-Y79 WeakPolarHBondContact O-CD1 3.03Å; A76-Y79 PolarHBondContact O-N 3.5Å; A76-I98 HydrophobicContact CB-CG2 4.41Å; A76-A102 HydrophobicContact CB-CB 3.87Å; A76-V104 HydrophobicContact CB-CG2 3.48Å; A76-V104 VanDerWaalsContact CB-CG2 3.48Å
77E95.2Very high97.3Very high65 Ų6540.3 Ų40.330%0.30420%0.198SC..G310 helixtrans-65.4-0.8-176.8-61.281.1176.500114.3P53 P75 Y79 L80P53-E77 VanDerWaalsContact CB-CD 3.5Å; P53-E77 HydrophobicContact CB-CG 4.12Å; P53-E77 WeakPolarHBondContact CB-OE2 3.26Å; P75-E77 WeakPolarHBondContact CB-OE2 3.5Å; P75-E77 PolarHBondContact O-N 3.39Å; E77-Y79 PolarHBondContact O-N 2.83Å; E77-L80 HydrophobicContact CB-CD1 4.21Å; E77-L80 HydrophobicContact CG-CD1 4.44Å; E77-L80 WeakPolarHBondContact O-CB 3.38Å; E77-L80 PolarHBondContact O-N 2.98Å
78L95.7Very high97.3Very high1 Ų138.9 Ų38.91%0.00519%0.192CC..G310 helixtrans-53.1-34.7170-168.774.3000111.7L64 F74 P75 A76 L80 L81 L84 L87 F97 I98 L109L64-L78 HydrophobicContact CD2-CD1 4.31Å; F74-L78 HydrophobicContact CB-CD2 4.09Å; F74-L78 HydrophobicContact CD1-CD1 4.35Å; F74-L78 HydrophobicContact CD1-CD2 4.5Å; F74-L78 HydrophobicContact CG-CD2 4.24Å; P75-L78 WeakPolarHBondContact O-CB 3.38Å; P75-L78 PolarHBondContact O-N 2.94Å; A76-L78 PolarHBondContact O-N 3.3Å; L78-L80 PolarHBondContact O-N 2.99Å; L78-L81 HydrophobicContact CD1-CD1 3.8Å; L78-L81 WeakPolarHBondContact O-CB 3.33Å; L78-L81 PolarHBondContact O-N 3.4Å; L78-L84 HydrophobicContact CD1-CD2 4.4Å; L78-L87 HydrophobicContact CD2-CD2 3.92Å; L78-F97 HydrophobicContact CD2-CE2 4.37Å; L78-F97 HydrophobicContact CD2-CZ 4.11Å; L78-I98 HydrophobicContact CB-CD1 4.47Å; L78-I98 HydrophobicContact CD2-CD1 4.11Å; L78-L109 WeakPolarHBondContact O-CD2 3.29Å
79Y94.4Very high97.3Very high83 Ų8335.2 Ų35.233%0.32517%0.172SC..G310 helixtrans-56.8-24.4178.383-94.9000113.7A76 E77 L81 V104 E108A76-Y79 WeakPolarHBondContact O-CD1 3.03Å; A76-Y79 PolarHBondContact O-N 3.5Å; E77-Y79 PolarHBondContact O-N 2.83Å; Y79-L81 PolarHBondContact O-N 2.91Å; Y79-V104 HydrophobicContact CD1-CG1 3.97Å; Y79-V104 HydrophobicContact CG-CG1 4.45Å; Y79-E108 HydrophobicContact CD2-CB 4.34Å; Y79-E108 HydrophobicContact CD2-CG 4.18Å; Y79-E108 WeakPolarHBondContact O-CB 3.36Å
80L95.3Very high97.3Very high47 Ų4735.5 Ų35.525%0.24617%0.174CC..G310 helixtrans-78.9-5-178.2-69.9173.1000113.8K59 E77 L78 T82K59-L80 PolarHBondContact NZ-O 2.57Å; E77-L80 HydrophobicContact CB-CD1 4.21Å; E77-L80 HydrophobicContact CG-CD1 4.44Å; E77-L80 WeakPolarHBondContact O-CB 3.38Å; E77-L80 PolarHBondContact O-N 2.98Å; L78-L80 PolarHBondContact O-N 2.99Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 2.99Å; L80-T82 VanDerWaalsContact O-N 3.15Å
81L97.1Very high97.3Very high0 Ų033.5 Ų33.50%017%0.17CC..  trans-85.264.7174.7-59.1-178.5000110.5I55 L61 L78 Y79 K83 L84 L109I55-L81 HydrophobicContact CG1-CD1 4.21Å; I55-L81 WeakPolarHBondContact O-CD2 3.2Å; L61-L81 HydrophobicContact CB-CD2 4.49Å; L61-L81 HydrophobicContact CD2-CD1 4.17Å; L78-L81 HydrophobicContact CD1-CD1 3.8Å; L78-L81 WeakPolarHBondContact O-CB 3.33Å; L78-L81 PolarHBondContact O-N 3.4Å; Y79-L81 PolarHBondContact O-N 2.91Å; L81-K83 PolarHBondContact O-N 3.04Å; L81-L84 HydrophobicContact CB-CB 3.93Å; L81-L84 HydrophobicContact CB-CD2 4.46Å; L81-L84 HydrophobicContact CD1-CD2 4.28Å; L81-L84 WeakPolarHBondContact O-CB 3.5Å; L81-L84 PolarHBondContact O-N 3.34Å; L81-L109 HydrophobicContact CB-CD2 4.39Å; L81-L109 VanDerWaalsContact O-CD2 3.3Å; L81-L109 WeakPolarHBondContact O-CD2 3.48Å
82T96.6Very high97.3Very high49 Ų4933.6 Ų33.630%0.30117%0.171SC..THydrogen-bonded Turntrans-62.9-18.4-169.963.80000114.8L80 E108 C111L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 2.99Å; L80-T82 VanDerWaalsContact O-N 3.15Å; T82-E108 WeakPolarHBondContact CA-O 3.45Å; T82-E108 HydrophobicContact CG2-CB 3.98Å; T82-C111 WeakPolarHBondContact O-CB 3.23Å; T82-C111 PolarHBondContact O-SG 2.9Å
83K98.3Very high97.4Very high91 Ų9131.7 Ų31.740%0.39616%0.163SC..THydrogen-bonded Turntrans-962.3175.4-63.4-171.4-172.81740114N60 L61 K62 L81 E85N60-K83 PolarHBondContact OD1-NZ 2.77Å; L61-K83 CarbonylContact O-C 3.19Å; K62-K83 WeakPolarHBondContact CA-O 3.07Å; L81-K83 PolarHBondContact O-N 3.04Å; K83-E85 PolarHBondContact O-N 3.29Å
84L98.6Very high97.5Very high0 Ų030.7 Ų30.70%016%0.156CC..  trans-65.3119.7-178.2-169.469.3000109.5L61 L64 L78 L81 L87 L109 C111 L112L61-L84 HydrophobicContact CD2-CD1 4.48Å; L61-L84 WeakPolarHBondContact O-CA 3.29Å; L61-L84 PolarHBondContact O-N 3.45Å; L61-L84 VanDerWaalsContact O-N 3.17Å; L64-L84 HydrophobicContact CB-CD1 3.92Å; L78-L84 HydrophobicContact CD1-CD2 4.4Å; L81-L84 HydrophobicContact CB-CB 3.93Å; L81-L84 HydrophobicContact CB-CD2 4.46Å; L81-L84 HydrophobicContact CD1-CD2 4.28Å; L81-L84 WeakPolarHBondContact O-CB 3.5Å; L81-L84 PolarHBondContact O-N 3.34Å; L84-L87 HydrophobicContact CD2-CB 4.23Å; L84-L87 HydrophobicContact CD2-CD1 4.48Å; L84-L109 HydrophobicContact CB-CD2 4.46Å; L84-C111 CarbonylContact O-C 3.01Å; L84-C111 WeakPolarHBondContact O-CB 3.3Å; L84-L112 HydrophobicContact CD2-CD1 4.14Å; L84-L112 HydrophobicContact CG-CD1 4.12Å; L84-L112 WeakPolarHBondContact O-CA 3.2Å; L84-L112 PolarHBondContact O-N 2.92Å
85E98.7Very high97.5Very high72 Ų7235.8 Ų35.834%0.33618%0.181SC..  trans-101.8-36.7179.4-67.7169.2-157.200111.1K62 K83 C111 R113 T114K62-E85 HydrophobicContact CB-CG 4.45Å; K62-E85 WeakPolarHBondContact CD-OE1 3.35Å; K62-E85 WeakPolarHBondContact CE-OE1 3.21Å; K62-E85 IonicContact NZ-OE1 2.79Å; K62-E85 PolarHBondContact NZ-OE1 3.46Å; K62-E85 WeakPolarHBondContact O-CA 3.09Å; K62-E85 PolarHBondContact O-N 3.29Å; K83-E85 PolarHBondContact O-N 3.29Å; E85-C111 WeakPolarHBondContact CA-O 3.26Å; E85-C111 HydrophobicContact CG-CB 4.18Å; E85-R113 PolarHBondContact O-N 3.39Å; E85-T114 PolarHBondContact O-N 2.9Å; E85-T114 VanDerWaalsContact O-N 3.11Å
86S98.8Very high97.5Very high31 Ų3137.9 Ų37.922%0.21719%0.192CC..EExtended strand (participates in β ladder)trans-133.6126.1-177.9-177.50000112.2K62 V63 L64 T114K62-S86 PolarHBondContact O-N 3.17Å; V63-S86 WeakPolarHBondContact CA-O 3.11Å; L64-S86 PolarHBondContact N-O 3.19Å; S86-T114 WeakPolarHBondContact CA-O 3.25Å; S86-T114 WeakPolarHBondContact CA-OG1 3.28Å; S86-T114 VanDerWaalsContact CB-OG1 3.28Å; S86-T114 WeakPolarHBondContact CB-OG1 3.06Å; S86-T114 PolarHBondContact OG-OG1 3.4Å
87L98.8Very high97.6Very high1 Ų137.2 Ų37.21%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-117.6112.8172.7179.962.8000109.4L64 F74 L78 L84 F97 L112 T114 V115 N116L64-L87 HydrophobicContact CB-CD1 4.14Å; L64-L87 HydrophobicContact CD2-CD1 3.84Å; L64-L87 HydrophobicContact CG-CD1 4.11Å; F74-L87 HydrophobicContact CE1-CD1 3.8Å; F74-L87 HydrophobicContact CE2-CD2 4.35Å; F74-L87 HydrophobicContact CZ-CD1 3.82Å; F74-L87 HydrophobicContact CZ-CD2 4.37Å; F74-L87 HydrophobicContact CZ-CG 4.28Å; L78-L87 HydrophobicContact CD2-CD2 3.92Å; L84-L87 HydrophobicContact CD2-CB 4.23Å; L84-L87 HydrophobicContact CD2-CD1 4.48Å; L87-F97 HydrophobicContact CD2-CE2 3.79Å; L87-F97 HydrophobicContact CD2-CZ 4.06Å; L87-L112 HydrophobicContact CB-CD1 4.21Å; L87-T114 PolarHBondContact N-O 3.45Å; L87-V115 WeakPolarHBondContact O-CA 3.18Å; L87-N116 PolarHBondContact O-N 3.18Å
88N98.9Very high97.6Very high28 Ų2834.2 Ų34.215%0.1517%0.171CC..EExtended strand (participates in β ladder)trans-112.6107.7174.4-17019.9000110.8L64 N65 V66 E67 N90 N116L64-N88 PolarHBondContact O-N 3.3Å; N65-N88 HydrophobicContact CB-CB 4.45Å; N65-N88 PolarHBondContact OD1-ND2 2.61Å; V66-N88 VanDerWaalsContact CG2-O 3.29Å; V66-N88 WeakPolarHBondContact CG2-O 3.31Å; V66-N88 PolarHBondContact N-O 3.33Å; E67-N88 PolarHBondContact N-O 2.96Å; N88-N90 PolarHBondContact ND2-OD1 3.46Å; N88-N90 PolarHBondContact OD1-N 2.89Å; N88-N90 PolarHBondContact OD1-OD1 2.83Å; N88-N116 WeakPolarHBondContact OD1-CB 3.41Å; N88-N116 PolarHBondContact OD1-ND2 3.25Å
89G98.7Very high97.4Very high0 Ų037 Ų370%019%0.188CC..  trans-124.924.9177.200000113.2N92 N116 N120G89-N92 PolarHBondContact O-ND2 3.12Å; G89-N116 CarbonylContact C-O 3.14Å; G89-N116 PolarHBondContact N-O 3.24Å; G89-N120 PolarHBondContact O-ND2 3.33Å
90N98.8Very high97.1Very high13 Ų1337.1 Ų37.17%0.0720%0.199CC..  trans-63.2160.9177.573.8-51.2000112.4E67 N68 N88 N92 N116 S118E67-N90 WeakPolarHBondContact CA-O 3.49Å; E67-N90 WeakPolarHBondContact CB-OD1 3.2Å; E67-N90 WeakPolarHBondContact CG-OD1 3.32Å; E67-N90 PolarHBondContact OE1-ND2 2.97Å; E67-N90 PolarHBondContact OE1-OD1 3.13Å; N68-N90 PolarHBondContact N-O 2.94Å; N68-N90 VanDerWaalsContact N-O 3.1Å; N88-N90 PolarHBondContact ND2-OD1 3.46Å; N88-N90 PolarHBondContact OD1-N 2.89Å; N88-N90 PolarHBondContact OD1-OD1 2.83Å; N90-N92 PolarHBondContact O-N 2.76Å; N90-N92 PolarHBondContact O-ND2 3.2Å; N90-N116 PolarHBondContact N-O 2.95Å; N90-S118 CarbonylContact C-O 3.43Å; N90-S118 WeakPolarHBondContact CA-O 3.39Å; N90-S118 WeakPolarHBondContact CB-O 3.22Å; N90-S118 WeakPolarHBondContact CB-OG 3.18Å
91S98.8Very high96.6Very high41 Ų4138.9 Ų38.929%0.28723%0.229SC..SBendtrans55.851.5174.9-56.60000112.5N68 N69 S118 H119N68-S91 WeakPolarHBondContact CA-O 3.24Å; N68-S91 PolarHBondContact N-O 3.34Å; N69-S91 PolarHBondContact N-O 3.41Å; S91-S118 PolarHBondContact N-O 3.11Å; S91-H119 VanDerWaalsContact CA-O 3.22Å; S91-H119 WeakPolarHBondContact CA-O 3.42Å; S91-H119 PolarHBondContact N-O 3.07Å
92N98.8Very high95.9Very high3 Ų340.9 Ų40.92%0.01625%0.246CC..SBendtrans-125.8-164.4178.3-89.8-86000109.8V66 N69 K70 L71 G89 N90 L94 H119 N120V66-N92 PolarHBondContact O-ND2 3.14Å; N69-N92 VanDerWaalsContact CA-OD1 3.28Å; N69-N92 WeakPolarHBondContact CA-OD1 3.18Å; N69-N92 WeakPolarHBondContact CB-OD1 3.49Å; N69-N92 PolarHBondContact N-OD1 3.04Å; N69-N92 PolarHBondContact O-OD1 3.18Å; K70-N92 PolarHBondContact N-OD1 3.33Å; K70-N92 VanDerWaalsContact N-OD1 3.14Å; L71-N92 HydrophobicContact CB-CB 4.26Å; L71-N92 WeakPolarHBondContact CB-OD1 3.06Å; L71-N92 WeakPolarHBondContact CG-OD1 3.31Å; L71-N92 PolarHBondContact N-OD1 3.19Å; G89-N92 PolarHBondContact O-ND2 3.12Å; N90-N92 PolarHBondContact O-N 2.76Å; N90-N92 PolarHBondContact O-ND2 3.2Å; N92-L94 HydrophobicContact CB-CG 4.09Å; N92-H119 PolarHBondContact N-O 3.28Å; N92-N120 WeakPolarHBondContact CA-OD1 3.11Å; N92-N120 WeakPolarHBondContact CB-OD1 3.37Å; N92-N120 PolarHBondContact N-OD1 2.86Å; N92-N120 PolarHBondContact O-OD1 2.74Å
93F98.5Very high94.8Very high92 Ų9247.3 Ų47.340%0.40428%0.276SS..  trans-111.730.2175.1-56.7-39.8000111.8K70 L71 M95 N120 Y121K70-F93 HydrophobicContact CB-CD2 3.73Å; K70-F93 HydrophobicContact CB-CE2 3.75Å; K70-F93 HydrophobicContact CD-CE2 4.05Å; K70-F93 HydrophobicContact CG-CD2 4.16Å; K70-F93 HydrophobicContact CG-CE2 3.63Å; K70-F93 HydrophobicContact CG-CZ 4.48Å; L71-F93 CarbonylContact O-C 3.18Å; L71-F93 WeakPolarHBondContact O-CA 3.37Å; L71-F93 PolarHBondContact O-N 3.08Å; F93-M95 PolarHBondContact O-N 3.36Å; F93-N120 PolarHBondContact N-OD1 2.95Å; F93-Y121 HydrophobicContact CD1-CD2 4.28Å; F93-Y121 AromaticContact CD1-CE2 3.64Å; F93-Y121 HydrophobicContact CD1-CE2 3.64Å; F93-Y121 HydrophobicContact CE1-CE2 4.33Å
94L98.7Very high93.9Very high0 Ų044.3 Ų44.30%027%0.265CS..  trans-64.1120.5-174.5-59.8173.4000109.6L71 K72 F74 N92 L117 N120 Y121 L122L71-L94 HydrophobicContact CB-CD2 3.78Å; L71-L94 PolarHBondContact O-N 3.11Å; K72-L94 WeakPolarHBondContact O-CA 3.43Å; F74-L94 HydrophobicContact CD2-CD1 4.47Å; F74-L94 HydrophobicContact CD2-CD2 4.41Å; F74-L94 HydrophobicContact CE2-CD1 3.86Å; F74-L94 HydrophobicContact CE2-CD2 4.34Å; N92-L94 HydrophobicContact CB-CG 4.09Å; L94-L117 HydrophobicContact CD1-CD2 3.8Å; L94-N120 HydrophobicContact CB-CB 4.01Å; L94-N120 VanDerWaalsContact CB-OD1 3.28Å; L94-N120 WeakPolarHBondContact CB-OD1 3.43Å; L94-N120 VanDerWaalsContact CG-OD1 3.25Å; L94-N120 WeakPolarHBondContact CG-OD1 3.29Å; L94-N120 PolarHBondContact N-OD1 3.35Å; L94-Y121 CarbonylContact O-C 3.53Å; L94-Y121 VanDerWaalsContact O-CA 3.25Å; L94-Y121 WeakPolarHBondContact O-CA 3.5Å; L94-Y121 PolarHBondContact O-N 2.91Å; L94-L122 HydrophobicContact CB-CD2 4.01Å; L94-L122 HydrophobicContact CB-CG 4.47Å; L94-L122 PolarHBondContact O-N 3.04Å
95M97.7Very high93.3Very high108 Ų10848.4 Ų48.453%0.53229%0.287SS..SBendtrans-100.4-28.6173.4-65.2-179.567.900111.6K72 F93K72-M95 PolarHBondContact O-N 3.05Å; F93-M95 PolarHBondContact O-N 3.36Å
96N96.2Very high93Very high51 Ų5145 Ų4527%0.27327%0.271SS..SBendtrans-132.2155.1171.4-58.394.1000108.4I98 P100 L122N96-I98 WeakPolarHBondContact CB-O 3.38Å; N96-P100 HydrophobicContact CB-CG 4.17Å; N96-P100 WeakPolarHBondContact OD1-CG 3.44Å; N96-L122 VanDerWaalsContact C-CD2 3.48Å
97F96.3Very high92.7Very high5 Ų546.2 Ų46.22%0.02228%0.275CS..SBendtrans-70.7-53.7177.4175.6-137.4000111.2F74 L78 L87 L106 L117 P126 E128 L129F74-F97 WeakPolarHBondContact CB-O 3.45Å; F74-F97 AromaticContact CD2-CD2 3.96Å; F74-F97 HydrophobicContact CD2-CD2 3.96Å; F74-F97 AromaticContact CD2-CE2 3.91Å; F74-F97 HydrophobicContact CD2-CE2 3.91Å; F74-F97 HydrophobicContact CE2-CD2 4.5Å; F74-F97 HydrophobicContact CE2-CE2 4.33Å; F74-F97 PolarHBondContact N-O 3.02Å; L78-F97 HydrophobicContact CD2-CE2 4.37Å; L78-F97 HydrophobicContact CD2-CZ 4.11Å; L87-F97 HydrophobicContact CD2-CE2 3.79Å; L87-F97 HydrophobicContact CD2-CZ 4.06Å; F97-L106 HydrophobicContact CD1-CD1 4.34Å; F97-L106 HydrophobicContact CE1-CD1 3.5Å; F97-L106 VanDerWaalsContact CE1-CD1 3.5Å; F97-L106 HydrophobicContact CZ-CD1 4.28Å; F97-L117 HydrophobicContact CD2-CD1 3.5Å; F97-L117 HydrophobicContact CD2-CD2 4.35Å; F97-L117 HydrophobicContact CE2-CD1 3.86Å; F97-L117 HydrophobicContact CE2-CD2 4.34Å; F97-L117 HydrophobicContact CG-CD1 4.19Å; F97-P126 HydrophobicContact CB-CB 3.74Å; F97-P126 HydrophobicContact CD1-CB 3.89Å; F97-P126 HydrophobicContact CG-CB 3.99Å; F97-E128 HydrophobicContact CD1-CB 4.29Å; F97-L129 HydrophobicContact CD1-CG 4.21Å; F97-L129 HydrophobicContact CE1-CD1 4.14Å; F97-L129 HydrophobicContact CE1-CD2 3.61Å; F97-L129 HydrophobicContact CE1-CG 3.66Å; F97-L129 HydrophobicContact CZ-CD1 4.44Å; F97-L129 HydrophobicContact CZ-CD2 3.95Å; F97-L129 HydrophobicContact CZ-CG 4.3Å
98I95.9Very high92.4Very high3 Ų351.2 Ų51.22%0.01530%0.299CS..BIsolated β-bridgetrans-106.6157.9174.6-56.6-59.2000109.7F74 A76 L78 N96 P100 V104 E128F74-I98 HydrophobicContact CB-CD1 4.06Å; F74-I98 CarbonylContact O-C 3.47Å; F74-I98 WeakPolarHBondContact O-CA 3.31Å; A76-I98 HydrophobicContact CB-CG2 4.41Å; L78-I98 HydrophobicContact CB-CD1 4.47Å; L78-I98 HydrophobicContact CD2-CD1 4.11Å; N96-I98 WeakPolarHBondContact CB-O 3.38Å; I98-P100 WeakPolarHBondContact O-CD 3.35Å; I98-V104 HydrophobicContact CG2-CB 4.49Å; I98-V104 HydrophobicContact CG2-CG2 3.99Å; I98-E128 HydrophobicContact CG1-CG 4.26Å
99T92.4Very high92.3Very high59 Ų5949.9 Ų49.936%0.36229%0.292SS..  trans-51.9123.9174.8-57.80000110.8C73 F74 A102C73-T99 PolarHBondContact SG-OG1 2.95Å; F74-T99 PolarHBondContact O-N 3.3Å; F74-T99 PolarHBondContact O-OG1 2.81Å; T99-A102 WeakPolarHBondContact O-CB 3.36Å; T99-A102 PolarHBondContact O-N 2.87Å
100P87.4Confident92.1Very high85 Ų8552.8 Ų52.855%0.55231%0.312SS*.THydrogen-bonded Turntrans-58.6146.3-178.9-26.635.3000113.4N96 I98 A102N96-P100 HydrophobicContact CB-CG 4.17Å; N96-P100 WeakPolarHBondContact OD1-CG 3.44Å; I98-P100 WeakPolarHBondContact O-CD 3.35Å; P100-A102 PolarHBondContact O-N 3.06Å
101G85.3Confident92.1Very high84 Ų8454 Ų5487%0.86632%0.321SS*.THydrogen-bonded Turntrans81.1-10179.900000114.7I103G101-I103 PolarHBondContact O-N 3.19Å
102A81.2Confident92.1Very high43 Ų4352.1 Ų52.136%0.35531%0.308SS..  trans-76.7119.3170.300000109.7A76 T99 P100 V104A76-A102 HydrophobicContact CB-CB 3.87Å; T99-A102 WeakPolarHBondContact O-CB 3.36Å; T99-A102 PolarHBondContact O-N 2.87Å; P100-A102 PolarHBondContact O-N 3.06Å; A102-V104 HydrophobicContact CB-CG2 3.53Å; A102-V104 PolarHBondContact O-N 3.36Å; A102-V104 VanDerWaalsContact O-N 3.11Å
103I75Confident92.1Very high183 Ų18356.2 Ų56.294%0.93832%0.323SS*.  trans-78.396.2168.9-59.1171.2000106.6G101G101-I103 PolarHBondContact O-N 3.19Å
104V78.6Confident92.1Very high28 Ų2854.5 Ų54.517%0.1732%0.32CS..  trans-117.9131.9-175.5-172.70000110.1A76 Y79 I98 A102 L106A76-V104 HydrophobicContact CB-CG2 3.48Å; A76-V104 VanDerWaalsContact CB-CG2 3.48Å; Y79-V104 HydrophobicContact CD1-CG1 3.97Å; Y79-V104 HydrophobicContact CG-CG1 4.45Å; I98-V104 HydrophobicContact CG2-CB 4.49Å; I98-V104 HydrophobicContact CG2-CG2 3.99Å; A102-V104 HydrophobicContact CB-CG2 3.53Å; A102-V104 PolarHBondContact O-N 3.36Å; A102-V104 VanDerWaalsContact O-N 3.11Å; V104-L106 HydrophobicContact CG1-CD2 3.61Å; V104-L106 HydrophobicContact CG1-CG 4.4Å
105N86.4Confident92.1Very high86 Ų8654.6 Ų54.646%0.4632%0.321SS..  trans-109.6114.1168.4-174.7-14.5000108.6N107 L131N105-N107 PolarHBondContact ND2-ND2 3Å; N105-N107 PolarHBondContact O-N 3.05Å; N105-N107 WeakPolarHBondContact OD1-CB 3.33Å; N105-N107 PolarHBondContact OD1-N 3.2Å; N105-N107 PolarHBondContact OD1-ND2 3.22Å; N105-N107 PolarHBondContact OD1-OD1 2.88Å; N105-L131 WeakPolarHBondContact OD1-CD1 3.42Å
106L91.6Very high92.1Very high0 Ų051.6 Ų51.60%031%0.307CS..  trans-80.811.9-179.1-59.5-175000113.5F97 V104 E108 L109 E128 L129 L131 I134F97-L106 HydrophobicContact CD1-CD1 4.34Å; F97-L106 HydrophobicContact CE1-CD1 3.5Å; F97-L106 VanDerWaalsContact CE1-CD1 3.5Å; F97-L106 HydrophobicContact CZ-CD1 4.28Å; V104-L106 HydrophobicContact CG1-CD2 3.61Å; V104-L106 HydrophobicContact CG1-CG 4.4Å; L106-E108 PolarHBondContact O-N 3.05Å; L106-L109 HydrophobicContact CB-CD1 4.04Å; L106-L109 HydrophobicContact CB-CG 4.42Å; L106-L109 HydrophobicContact CD1-CD1 4.22Å; L106-L109 HydrophobicContact CD2-CD1 4.17Å; L106-L109 HydrophobicContact CG-CD1 4.38Å; L106-L109 WeakPolarHBondContact O-CB 3.35Å; L106-L109 PolarHBondContact O-N 2.87Å; L106-E128 HydrophobicContact CD1-CB 3.63Å; L106-E128 HydrophobicContact CG-CB 4.03Å; L106-L129 HydrophobicContact CD1-CD2 4.16Å; L106-L131 HydrophobicContact CB-CD1 3.97Å; L106-I134 HydrophobicContact CB-CD1 3.86Å; L106-I134 WeakPolarHBondContact O-CD1 3.39Å
107N92.1Very high92.3Very high57 Ų5749.2 Ų49.231%0.30529%0.294SS..THydrogen-bonded Turntrans-49.9-29.9-175.2-89.6-12.6000114.5N105 L109 L131 T133N105-N107 PolarHBondContact ND2-ND2 3Å; N105-N107 PolarHBondContact O-N 3.05Å; N105-N107 WeakPolarHBondContact OD1-CB 3.33Å; N105-N107 PolarHBondContact OD1-N 3.2Å; N105-N107 PolarHBondContact OD1-ND2 3.22Å; N105-N107 PolarHBondContact OD1-OD1 2.88Å; N107-L109 VanDerWaalsContact C-N 3.29Å; N107-L109 PolarHBondContact O-N 3.12Å; N107-L131 WeakPolarHBondContact OD1-CD1 3.43Å; N107-T133 WeakPolarHBondContact CA-OG1 3.25Å; N107-T133 PolarHBondContact O-OG1 3.44Å; N107-T133 VanDerWaalsContact O-OG1 3.14Å; N107-T133 PolarHBondContact OD1-OG1 2.85Å; N107-T133 VanDerWaalsContact OD1-OG1 3.05Å
108E93.4Very high92.4Very high107 Ų10749.2 Ų49.250%0.530%0.295SS..THydrogen-bonded Turntrans-73.3-14.6-179.5-64.8-59.6147.700114Y79 T82 L106 S110Y79-E108 HydrophobicContact CD2-CB 4.34Å; Y79-E108 HydrophobicContact CD2-CG 4.18Å; Y79-E108 WeakPolarHBondContact O-CB 3.36Å; T82-E108 WeakPolarHBondContact CA-O 3.45Å; T82-E108 HydrophobicContact CG2-CB 3.98Å; L106-E108 PolarHBondContact O-N 3.05Å; E108-S110 PolarHBondContact O-N 3.01Å
109L96Very high92.5Very high0 Ų053.6 Ų53.60%032%0.315CS..  trans-74.842.1176-64.4-176.1000112.9L78 L81 L84 L106 N107 C111 L112 I134L78-L109 WeakPolarHBondContact O-CD2 3.29Å; L81-L109 HydrophobicContact CB-CD2 4.39Å; L81-L109 VanDerWaalsContact O-CD2 3.3Å; L81-L109 WeakPolarHBondContact O-CD2 3.48Å; L84-L109 HydrophobicContact CB-CD2 4.46Å; L106-L109 HydrophobicContact CB-CD1 4.04Å; L106-L109 HydrophobicContact CB-CG 4.42Å; L106-L109 HydrophobicContact CD1-CD1 4.22Å; L106-L109 HydrophobicContact CD2-CD1 4.17Å; L106-L109 HydrophobicContact CG-CD1 4.38Å; L106-L109 WeakPolarHBondContact O-CB 3.35Å; L106-L109 PolarHBondContact O-N 2.87Å; N107-L109 VanDerWaalsContact C-N 3.29Å; N107-L109 PolarHBondContact O-N 3.12Å; L109-C111 PolarHBondContact O-N 3.32Å; L109-C111 VanDerWaalsContact O-N 3.11Å; L109-L112 HydrophobicContact CB-CB 4.22Å; L109-L112 HydrophobicContact CB-CD2 4.47Å; L109-L112 HydrophobicContact CD1-CD2 4.15Å; L109-L112 WeakPolarHBondContact O-CB 3.4Å; L109-L112 PolarHBondContact O-N 3.44Å; L109-I134 HydrophobicContact CB-CD1 4.27Å; L109-I134 WeakPolarHBondContact O-CG2 3.19Å
110S95.6Very high92.8Very high61 Ų6151 Ų5143%0.42730%0.299SS..THydrogen-bonded Turntrans-61.8-20.2-176.360.50000114.3E108 R113 P135E108-S110 PolarHBondContact O-N 3.01Å; S110-R113 PolarHBondContact O-NH1 3.44Å; S110-P135 VanDerWaalsContact O-CD 3.26Å; S110-P135 WeakPolarHBondContact O-CD 3.16Å
111C98.1Very high93.4Very high39 Ų3953 Ų5326%0.26430%0.296SS..THydrogen-bonded Turntrans-86.9-9.1174.9-72.70000114.2T82 L84 E85 L109 R113T82-C111 WeakPolarHBondContact O-CB 3.23Å; T82-C111 PolarHBondContact O-SG 2.9Å; L84-C111 CarbonylContact O-C 3.01Å; L84-C111 WeakPolarHBondContact O-CB 3.3Å; E85-C111 WeakPolarHBondContact CA-O 3.26Å; E85-C111 HydrophobicContact CG-CB 4.18Å; L109-C111 PolarHBondContact O-N 3.32Å; L109-C111 VanDerWaalsContact O-N 3.11Å; C111-R113 VanDerWaalsContact CA-NH1 3.34Å; C111-R113 WeakPolarHBondContact O-CG 3.34Å; C111-R113 PolarHBondContact O-N 3.05Å; C111-R113 PolarHBondContact O-NH1 2.92Å
112L98.5Very high94Very high0 Ų049 Ų490%026%0.255CS..  trans-68.4128.5-172.6-166.765.3000110.9L84 L87 L109 V115 L129 I134 P135L84-L112 HydrophobicContact CD2-CD1 4.14Å; L84-L112 HydrophobicContact CG-CD1 4.12Å; L84-L112 WeakPolarHBondContact O-CA 3.2Å; L84-L112 PolarHBondContact O-N 2.92Å; L87-L112 HydrophobicContact CB-CD1 4.21Å; L109-L112 HydrophobicContact CB-CB 4.22Å; L109-L112 HydrophobicContact CB-CD2 4.47Å; L109-L112 HydrophobicContact CD1-CD2 4.15Å; L109-L112 WeakPolarHBondContact O-CB 3.4Å; L109-L112 PolarHBondContact O-N 3.44Å; L112-V115 HydrophobicContact CD1-CG2 4.11Å; L112-V115 HydrophobicContact CD2-CG2 3.51Å; L112-V115 HydrophobicContact CG-CG2 3.81Å; L112-L129 HydrophobicContact CD2-CD2 4.13Å; L112-I134 HydrophobicContact CB-CG2 3.84Å; L112-I134 HydrophobicContact CD2-CG2 4.18Å; L112-P135 CarbonylContact O-C 3.56Å
113R98.6Very high94.8Very high90 Ų9050.1 Ų50.134%0.3426%0.258SS..  trans-123-36-177.7-62.8-58.5-179.4-914112.5E85 S110 C111 P135 I136 N137 M138E85-R113 PolarHBondContact O-N 3.39Å; S110-R113 PolarHBondContact O-NH1 3.44Å; C111-R113 VanDerWaalsContact CA-NH1 3.34Å; C111-R113 WeakPolarHBondContact O-CG 3.34Å; C111-R113 PolarHBondContact O-N 3.05Å; C111-R113 PolarHBondContact O-NH1 2.92Å; R113-P135 WeakPolarHBondContact CD-O 3.46Å; R113-I136 WeakPolarHBondContact O-CG2 3.47Å; R113-N137 WeakPolarHBondContact O-CA 3.34Å; R113-N137 WeakPolarHBondContact O-CB 3.47Å; R113-N137 PolarHBondContact O-N 3.4Å; R113-M138 PolarHBondContact O-N 2.98Å
114T98.8Very high95.9Very high55 Ų5547.9 Ų47.934%0.33724%0.243SC..EExtended strand (participates in β ladder)trans-133128.1-177.558.60000110.9E85 S86 L87 M138E85-T114 PolarHBondContact O-N 2.9Å; E85-T114 VanDerWaalsContact O-N 3.11Å; S86-T114 WeakPolarHBondContact CA-O 3.25Å; S86-T114 WeakPolarHBondContact CA-OG1 3.28Å; S86-T114 VanDerWaalsContact CB-OG1 3.28Å; S86-T114 WeakPolarHBondContact CB-OG1 3.06Å; S86-T114 PolarHBondContact OG-OG1 3.4Å; L87-T114 PolarHBondContact N-O 3.45Å; T114-M138 WeakPolarHBondContact CA-O 3.33Å
115V98.8Very high96.8Very high3 Ų347 Ų472%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-126.2116.7176.1179.40000108.2L87 L112 L117 L129 M138 I139 D140L87-V115 WeakPolarHBondContact O-CA 3.18Å; L112-V115 HydrophobicContact CD1-CG2 4.11Å; L112-V115 HydrophobicContact CD2-CG2 3.51Å; L112-V115 HydrophobicContact CG-CG2 3.81Å; V115-L117 HydrophobicContact CG1-CD1 3.94Å; V115-L117 HydrophobicContact CG1-CD2 4.38Å; V115-L117 HydrophobicContact CG1-CG 3.79Å; V115-L129 HydrophobicContact CG1-CD1 4.07Å; V115-L129 HydrophobicContact CG2-CD1 4.46Å; V115-M138 PolarHBondContact N-O 2.86Å; V115-I139 HydrophobicContact CB-CG2 4.49Å; V115-I139 CarbonylContact O-C 3.45Å; V115-I139 WeakPolarHBondContact O-CA 3.38Å; V115-D140 PolarHBondContact O-N 3.47Å
116N98.9Very high97.3Very high45 Ų4543 Ų4324%0.24122%0.216CC..EExtended strand (participates in β ladder)trans-116.3111.6174.1-175.6-0.6000109.5L87 N88 G89 N90 S118 D140L87-N116 PolarHBondContact O-N 3.18Å; N88-N116 WeakPolarHBondContact OD1-CB 3.41Å; N88-N116 PolarHBondContact OD1-ND2 3.25Å; G89-N116 CarbonylContact C-O 3.14Å; G89-N116 PolarHBondContact N-O 3.24Å; N90-N116 PolarHBondContact N-O 2.95Å; N116-S118 WeakPolarHBondContact OD1-CB 3.5Å; N116-S118 PolarHBondContact OD1-N 3.11Å; N116-S118 PolarHBondContact OD1-OG 2.94Å; N116-D140 HydrophobicContact CB-CB 4.49Å
117L98.9Very high97.5Very high0 Ų046.1 Ų46.10%024%0.235CC..  trans-123.321.9176.6-54.7174.9000110.5F74 L94 F97 V115 N120 L122 D140 L141 N144F74-L117 HydrophobicContact CE2-CD2 3.81Å; L94-L117 HydrophobicContact CD1-CD2 3.8Å; F97-L117 HydrophobicContact CD2-CD1 3.5Å; F97-L117 HydrophobicContact CD2-CD2 4.35Å; F97-L117 HydrophobicContact CE2-CD1 3.86Å; F97-L117 HydrophobicContact CE2-CD2 4.34Å; F97-L117 HydrophobicContact CG-CD1 4.19Å; V115-L117 HydrophobicContact CG1-CD1 3.94Å; V115-L117 HydrophobicContact CG1-CD2 4.38Å; V115-L117 HydrophobicContact CG1-CG 3.79Å; L117-N120 PolarHBondContact O-ND2 2.81Å; L117-L122 HydrophobicContact CB-CD1 4.07Å; L117-L122 HydrophobicContact CD1-CD1 4.2Å; L117-D140 CarbonylContact C-O 3.21Å; L117-D140 PolarHBondContact N-O 3.37Å; L117-L141 HydrophobicContact CB-CD2 4.05Å; L117-L141 HydrophobicContact CD1-CD2 4.1Å; L117-N144 PolarHBondContact O-ND2 3.01Å
118S98.9Very high97.6Very high6 Ų646 Ų464%0.04223%0.233CC..  trans-62.7160.3179.160.70000112.6N90 S91 N116 N120 D140 S142N90-S118 CarbonylContact C-O 3.43Å; N90-S118 WeakPolarHBondContact CA-O 3.39Å; N90-S118 WeakPolarHBondContact CB-O 3.22Å; N90-S118 WeakPolarHBondContact CB-OG 3.18Å; S91-S118 PolarHBondContact N-O 3.11Å; N116-S118 WeakPolarHBondContact OD1-CB 3.5Å; N116-S118 PolarHBondContact OD1-N 3.11Å; N116-S118 PolarHBondContact OD1-OG 2.94Å; S118-N120 PolarHBondContact O-N 2.81Å; S118-N120 PolarHBondContact O-ND2 3Å; S118-N120 VanDerWaalsContact O-ND2 3.11Å; S118-D140 WeakPolarHBondContact CB-OD1 3.34Å; S118-D140 PolarHBondContact N-O 2.97Å; S118-S142 CarbonylContact C-O 3.15Å; S118-S142 WeakPolarHBondContact CA-O 3.46Å; S118-S142 VanDerWaalsContact CB-O 3.29Å; S118-S142 WeakPolarHBondContact CB-O 3.32Å; S118-S142 WeakPolarHBondContact CB-OG 3.47Å
119H98.8Very high97.8Very high95 Ų9541 Ų4144%0.4421%0.209SC..SBendtrans55.652.5178.9-60.5-84000112.6S91 N92 S142 N143S91-H119 VanDerWaalsContact CA-O 3.22Å; S91-H119 WeakPolarHBondContact CA-O 3.42Å; S91-H119 PolarHBondContact N-O 3.07Å; N92-H119 PolarHBondContact N-O 3.28Å; H119-S142 PolarHBondContact N-O 3.46Å; H119-N143 VanDerWaalsContact CA-O 3.23Å; H119-N143 WeakPolarHBondContact CA-O 3.11Å; H119-N143 HydrophobicContact CB-CB 4.49Å; H119-N143 PolarHBondContact CE1-ND2 3.26Å; H119-N143 VanDerWaalsContact CE1-ND2 3.34Å; H119-N143 PolarHBondContact N-O 3.11Å; H119-N143 WeakPolarHBondContact ND1-CB 3.47Å; H119-N143 PolarHBondContact NE2-ND2 3.23Å
120N98.9Very high97.8Very high5 Ų541.4 Ų41.43%0.02721%0.212CC..SBendtrans-130.2-165.9177.2-85.9-73.9000109.6G89 N92 F93 L94 L117 S118 L122 N143 N144G89-N120 PolarHBondContact O-ND2 3.33Å; N92-N120 WeakPolarHBondContact CA-OD1 3.11Å; N92-N120 WeakPolarHBondContact CB-OD1 3.37Å; N92-N120 PolarHBondContact N-OD1 2.86Å; N92-N120 PolarHBondContact O-OD1 2.74Å; F93-N120 PolarHBondContact N-OD1 2.95Å; L94-N120 HydrophobicContact CB-CB 4.01Å; L94-N120 VanDerWaalsContact CB-OD1 3.28Å; L94-N120 WeakPolarHBondContact CB-OD1 3.43Å; L94-N120 VanDerWaalsContact CG-OD1 3.25Å; L94-N120 WeakPolarHBondContact CG-OD1 3.29Å; L94-N120 PolarHBondContact N-OD1 3.35Å; L117-N120 PolarHBondContact O-ND2 2.81Å; S118-N120 PolarHBondContact O-N 2.81Å; S118-N120 PolarHBondContact O-ND2 3Å; S118-N120 VanDerWaalsContact O-ND2 3.11Å; N120-L122 HydrophobicContact CB-CG 4.46Å; N120-N143 PolarHBondContact N-O 2.87Å; N120-N144 VanDerWaalsContact CA-OD1 3.29Å; N120-N144 WeakPolarHBondContact CA-OD1 3.37Å; N120-N144 WeakPolarHBondContact CB-OD1 3.1Å; N120-N144 PolarHBondContact O-OD1 2.63Å
121Y98.6Very high97.8Very high125 Ų12540.2 Ų40.249%0.4920%0.201SC..  trans-12126.9-177.3-60.9-99.6000111F93 L94 T123 N144F93-Y121 HydrophobicContact CD1-CD2 4.28Å; F93-Y121 AromaticContact CD1-CE2 3.64Å; F93-Y121 HydrophobicContact CD1-CE2 3.64Å; F93-Y121 HydrophobicContact CE1-CE2 4.33Å; L94-Y121 CarbonylContact O-C 3.53Å; L94-Y121 VanDerWaalsContact O-CA 3.25Å; L94-Y121 WeakPolarHBondContact O-CA 3.5Å; L94-Y121 PolarHBondContact O-N 2.91Å; Y121-T123 PolarHBondContact O-N 3.43Å; Y121-N144 PolarHBondContact N-OD1 3.05Å
122L98.7Very high97.7Very high1 Ų144.5 Ų44.51%0.00522%0.215CC..  trans-60.8122.3179.5-63.4173.6000108.6L94 N96 L117 N120 L141 N144 Q145 I146L94-L122 HydrophobicContact CB-CD2 4.01Å; L94-L122 HydrophobicContact CB-CG 4.47Å; L94-L122 PolarHBondContact O-N 3.04Å; N96-L122 VanDerWaalsContact C-CD2 3.48Å; L117-L122 HydrophobicContact CB-CD1 4.07Å; L117-L122 HydrophobicContact CD1-CD1 4.2Å; N120-L122 HydrophobicContact CB-CG 4.46Å; L122-L141 HydrophobicContact CD1-CD2 3.77Å; L122-N144 HydrophobicContact CB-CB 4.17Å; L122-N144 VanDerWaalsContact CB-OD1 3.31Å; L122-N144 WeakPolarHBondContact CB-OD1 3.39Å; L122-N144 WeakPolarHBondContact CG-OD1 3.3Å; L122-N144 PolarHBondContact N-OD1 3.3Å; L122-Q145 CarbonylContact O-C 3.48Å; L122-Q145 VanDerWaalsContact O-CA 3.24Å; L122-Q145 WeakPolarHBondContact O-CA 3.31Å; L122-Q145 WeakPolarHBondContact O-CB 3.31Å; L122-Q145 PolarHBondContact O-N 3.04Å; L122-I146 HydrophobicContact CB-CD1 4.32Å; L122-I146 HydrophobicContact CB-CG1 4.11Å; L122-I146 WeakPolarHBondContact O-CG1 3.47Å; L122-I146 PolarHBondContact O-N 2.97Å; L122-I146 VanDerWaalsContact O-N 3.09Å
123T97.8Very high97.6Very high67 Ų6747.9 Ų47.941%0.41124%0.235SC..  trans-97.3-22.5177.552.20000112.1Y121 Q145Y121-T123 PolarHBondContact O-N 3.43Å; T123-Q145 HydrophobicContact CG2-CB 4.12Å
124E97Very high97.5Very high135 Ų13543.6 Ų43.663%0.63122%0.219SC*.SBendtrans-116.6148178.4-65.7179.9178.800110.3
125F98.3Very high97.4Very high9 Ų942.8 Ų42.84%0.03922%0.215CC..  trans-65.1136.3171.4-170.6-79.5000109.6V127 C130 L141 I146 P150 I153 L156 L163F125-V127 VanDerWaalsContact C-N 3.29Å; F125-V127 PolarHBondContact O-N 3.32Å; F125-C130 VanDerWaalsContact CE1-SG 3.6Å; F125-L141 HydrophobicContact CD2-CD1 4.17Å; F125-L141 HydrophobicContact CE2-CD1 3.76Å; F125-L141 HydrophobicContact CZ-CD1 4.14Å; F125-I146 HydrophobicContact CB-CG2 4.25Å; F125-P150 VanDerWaalsContact CB-CD 3.48Å; F125-P150 HydrophobicContact CB-CG 3.96Å; F125-P150 HydrophobicContact CD1-CG 4.24Å; F125-P150 HydrophobicContact CG-CG 4.25Å; F125-I153 HydrophobicContact CE1-CD1 3.73Å; F125-I153 HydrophobicContact CE2-CD1 3.84Å; F125-I153 HydrophobicContact CZ-CD1 3.3Å; F125-L156 HydrophobicContact CZ-CD2 4.06Å; F125-L163 HydrophobicContact CD2-CD2 4.34Å; F125-L163 HydrophobicContact CE2-CD1 4.24Å; F125-L163 HydrophobicContact CE2-CD2 4.3Å
126P96.7Very high97.3Very high4 Ų442.6 Ų42.63%0.02621%0.214CC..  trans-71.780.1-179.931.6-37.8000111.8F97 E128 L129 L141F97-P126 HydrophobicContact CB-CB 3.74Å; F97-P126 HydrophobicContact CD1-CB 3.89Å; F97-P126 HydrophobicContact CG-CB 3.99Å; P126-E128 VanDerWaalsContact C-OE2 3.31Å; P126-E128 WeakPolarHBondContact CA-OE2 3.24Å; P126-E128 PolarHBondContact O-N 3.45Å; P126-E128 VanDerWaalsContact O-N 3.13Å; P126-L129 HydrophobicContact CB-CD1 4.18Å; P126-L129 HydrophobicContact CB-CG 4.44Å; P126-L129 HydrophobicContact CG-CD1 3.99Å; P126-L129 PolarHBondContact O-N 3.36Å; P126-L141 HydrophobicContact CG-CD1 3.93Å; P126-L141 HydrophobicContact CG-CD2 3.88Å
127V95.8Very high97.3Very high65 Ų6543.6 Ų43.639%0.39422%0.219SC..G310 helixtrans-61.9-18.7-177.6-66.30000113.1F125 L129 C130 P150 A152F125-V127 VanDerWaalsContact C-N 3.29Å; F125-V127 PolarHBondContact O-N 3.32Å; V127-L129 PolarHBondContact O-N 3.43Å; V127-C130 VanDerWaalsContact O-CB 3.24Å; V127-C130 WeakPolarHBondContact O-CB 3.5Å; V127-C130 PolarHBondContact O-N 3.37Å; V127-P150 HydrophobicContact CG1-CB 4.38Å; V127-P150 HydrophobicContact CG1-CG 3.58Å; V127-A152 HydrophobicContact CB-CB 4.19Å; V127-A152 HydrophobicContact CG1-CB 3.93Å
128E95.2Very high97.3Very high55 Ų5546 Ų4626%0.25723%0.231SC..G310 helixtrans-64.9-21.4175-53.886.916500112.5F97 I98 L106 P126 L131F97-E128 HydrophobicContact CD1-CB 4.29Å; I98-E128 HydrophobicContact CG1-CG 4.26Å; L106-E128 HydrophobicContact CD1-CB 3.63Å; L106-E128 HydrophobicContact CG-CB 4.03Å; P126-E128 VanDerWaalsContact C-OE2 3.31Å; P126-E128 WeakPolarHBondContact CA-OE2 3.24Å; P126-E128 PolarHBondContact O-N 3.45Å; P126-E128 VanDerWaalsContact O-N 3.13Å; E128-L131 VanDerWaalsContact O-CD1 3.3Å; E128-L131 WeakPolarHBondContact O-CD1 3.12Å
129L96.7Very high97.3Very high1 Ų145.7 Ų45.71%0.00523%0.229CC..G310 helixtrans-83.9-13.2172.9-63.6175.7000112.8F97 L106 L112 V115 P126 V127 L131 I136 I139 L156F97-L129 HydrophobicContact CD1-CG 4.21Å; F97-L129 HydrophobicContact CE1-CD1 4.14Å; F97-L129 HydrophobicContact CE1-CD2 3.61Å; F97-L129 HydrophobicContact CE1-CG 3.66Å; F97-L129 HydrophobicContact CZ-CD1 4.44Å; F97-L129 HydrophobicContact CZ-CD2 3.95Å; F97-L129 HydrophobicContact CZ-CG 4.3Å; L106-L129 HydrophobicContact CD1-CD2 4.16Å; L112-L129 HydrophobicContact CD2-CD2 4.13Å; V115-L129 HydrophobicContact CG1-CD1 4.07Å; V115-L129 HydrophobicContact CG2-CD1 4.46Å; P126-L129 HydrophobicContact CB-CD1 4.18Å; P126-L129 HydrophobicContact CB-CG 4.44Å; P126-L129 HydrophobicContact CG-CD1 3.99Å; P126-L129 PolarHBondContact O-N 3.36Å; V127-L129 PolarHBondContact O-N 3.43Å; L129-L131 PolarHBondContact O-N 2.97Å; L129-I136 HydrophobicContact CB-CD1 4.22Å; L129-I136 HydrophobicContact CD2-CD1 4.23Å; L129-I139 HydrophobicContact CD1-CD1 4.34Å; L129-L156 HydrophobicContact CB-CD1 4.28Å; L129-L156 WeakPolarHBondContact O-CD1 3.46Å
130C96.7Very high97.3Very high9 Ų942.5 Ų42.56%0.06122%0.215CC..  trans-77.764.4-178.6-64.40000112F125 V127 A152 S155F125-C130 VanDerWaalsContact CE1-SG 3.6Å; V127-C130 VanDerWaalsContact O-CB 3.24Å; V127-C130 WeakPolarHBondContact O-CB 3.5Å; V127-C130 PolarHBondContact O-N 3.37Å; C130-A152 HydrophobicContact CB-CB 4.08Å; C130-A152 VanDerWaalsContact CB-O 3.24Å; C130-A152 WeakPolarHBondContact CB-O 3.3Å; C130-S155 VanDerWaalsContact O-CB 3.29Å; C130-S155 WeakPolarHBondContact O-CB 3.19Å
131L96.2Very high97.3Very high36 Ų3642.3 Ų42.319%0.18821%0.214CC..  trans-128.9138.7-176.8-65.2170.4000110.9N105 L106 N107 E128 L129 T133 I134 S155N105-L131 WeakPolarHBondContact OD1-CD1 3.42Å; L106-L131 HydrophobicContact CB-CD1 3.97Å; N107-L131 WeakPolarHBondContact OD1-CD1 3.43Å; E128-L131 VanDerWaalsContact O-CD1 3.3Å; E128-L131 WeakPolarHBondContact O-CD1 3.12Å; L129-L131 PolarHBondContact O-N 2.97Å; L131-T133 PolarHBondContact O-N 2.69Å; L131-I134 HydrophobicContact CB-CD1 4.07Å; L131-I134 HydrophobicContact CB-CG1 4.11Å; L131-I134 HydrophobicContact CD1-CD1 3.8Å; L131-I134 HydrophobicContact CD1-CG1 4.5Å; L131-I134 HydrophobicContact CG-CD1 4.46Å; L131-I134 PolarHBondContact O-N 2.8Å; L131-S155 CarbonylContact C-O 3.4Å
132K96Very high97.3Very high129 Ų12936.7 Ų36.756%0.56119%0.193SC*.THydrogen-bonded Turntrans-66.9-18179.4-68.6-158.7177.5-1530113.8S155 E179K132-S155 PolarHBondContact N-O 2.94Å; K132-E179 IonicContact NZ-OE1 2.73Å; K132-E179 PolarHBondContact NZ-OE1 3.43Å
133T95.5Very high97.3Very high70 Ų7039.4 Ų39.443%0.42921%0.208SC..THydrogen-bonded Turntrans-88.9-10.1-175.362.90000114N107 L131 P135N107-T133 WeakPolarHBondContact CA-OG1 3.25Å; N107-T133 PolarHBondContact O-OG1 3.44Å; N107-T133 VanDerWaalsContact O-OG1 3.14Å; N107-T133 PolarHBondContact OD1-OG1 2.85Å; N107-T133 VanDerWaalsContact OD1-OG1 3.05Å; L131-T133 PolarHBondContact O-N 2.69Å; T133-P135 WeakPolarHBondContact O-CD 3.3Å
134I96.3Very high97.4Very high0 Ų036.3 Ų36.30%019%0.189CC..  trans-106.3102.1-174.3-51.5179.5000109.4L106 L109 L112 L131 I136 Q157L106-I134 HydrophobicContact CB-CD1 3.86Å; L106-I134 WeakPolarHBondContact O-CD1 3.39Å; L109-I134 HydrophobicContact CB-CD1 4.27Å; L109-I134 WeakPolarHBondContact O-CG2 3.19Å; L112-I134 HydrophobicContact CB-CG2 3.84Å; L112-I134 HydrophobicContact CD2-CG2 4.18Å; L131-I134 HydrophobicContact CB-CD1 4.07Å; L131-I134 HydrophobicContact CB-CG1 4.11Å; L131-I134 HydrophobicContact CD1-CD1 3.8Å; L131-I134 HydrophobicContact CD1-CG1 4.5Å; L131-I134 HydrophobicContact CG-CD1 4.46Å; L131-I134 PolarHBondContact O-N 2.8Å; I134-I136 VanDerWaalsContact C-N 3.33Å; I134-I136 HydrophobicContact CB-CG1 4.45Å; I134-I136 HydrophobicContact CG2-CD1 3.94Å; I134-I136 HydrophobicContact CG2-CG1 3.6Å; I134-I136 PolarHBondContact O-N 3.11Å; I134-Q157 WeakPolarHBondContact O-CB 3.48Å
135P96.3Very high97.5Very high38 Ų3833.1 Ų33.125%0.24717%0.174CC..  trans-86.872.8-171.337.1-37.5000111.4S110 L112 R113 T133 R180S110-P135 VanDerWaalsContact O-CD 3.26Å; S110-P135 WeakPolarHBondContact O-CD 3.16Å; L112-P135 CarbonylContact O-C 3.56Å; R113-P135 WeakPolarHBondContact CD-O 3.46Å; T133-P135 WeakPolarHBondContact O-CD 3.3Å; P135-R180 VanDerWaalsContact CA-NH1 3.28Å; P135-R180 PolarHBondContact O-NH1 2.95Å
136I98.4Very high97.5Very high0 Ų032.7 Ų32.70%017%0.172CC..  trans-69.9139.8-178.4-54.7171.7000110.4R113 L129 I134 M138 I139 L156 Q157 A158 I159 R180R113-I136 WeakPolarHBondContact O-CG2 3.47Å; L129-I136 HydrophobicContact CB-CD1 4.22Å; L129-I136 HydrophobicContact CD2-CD1 4.23Å; I134-I136 VanDerWaalsContact C-N 3.33Å; I134-I136 HydrophobicContact CB-CG1 4.45Å; I134-I136 HydrophobicContact CG2-CD1 3.94Å; I134-I136 HydrophobicContact CG2-CG1 3.6Å; I134-I136 PolarHBondContact O-N 3.11Å; I136-M138 WeakPolarHBondContact CG2-O 3.48Å; I136-I139 HydrophobicContact CB-CG1 4.37Å; I136-I139 HydrophobicContact CD1-CD1 3.72Å; I136-I139 HydrophobicContact CD1-CG1 4.15Å; I136-I139 HydrophobicContact CG2-CD1 4.12Å; I136-I139 HydrophobicContact CG2-CG1 3.46Å; I136-I139 VanDerWaalsContact CG2-CG1 3.46Å; I136-L156 HydrophobicContact CD1-CD1 4.3Å; I136-Q157 PolarHBondContact N-O 3.34Å; I136-A158 HydrophobicContact CB-CB 4.3Å; I136-A158 HydrophobicContact CG2-CB 4.46Å; I136-A158 VanDerWaalsContact O-CA 3.3Å; I136-A158 WeakPolarHBondContact O-CA 3.37Å; I136-I159 PolarHBondContact O-N 3.22Å; I136-R180 PolarHBondContact O-NH1 3.29Å
137N98.7Very high97.6Very high65 Ų6534.7 Ų34.735%0.34819%0.186SC..SBendtrans-92.5-50.8170.8-68-17.1000109.8R113 I159 E160 R180R113-N137 WeakPolarHBondContact O-CA 3.34Å; R113-N137 WeakPolarHBondContact O-CB 3.47Å; R113-N137 PolarHBondContact O-N 3.4Å; N137-I159 HydrophobicContact CB-CD1 4.41Å; N137-I159 WeakPolarHBondContact O-CB 3.45Å; N137-I159 PolarHBondContact O-N 3.13Å; N137-E160 PolarHBondContact O-N 3.26Å; N137-R180 PolarHBondContact OD1-NH2 3.21Å
138M98.7Very high97.7Very high51 Ų5135.2 Ų35.225%0.25119%0.186SC..EExtended strand (participates in β ladder)trans-133.7129.9-175.2179.860.6171.400111.1R113 T114 V115 I136 D140 E160 N162R113-M138 PolarHBondContact O-N 2.98Å; T114-M138 WeakPolarHBondContact CA-O 3.33Å; V115-M138 PolarHBondContact N-O 2.86Å; I136-M138 WeakPolarHBondContact CG2-O 3.48Å; M138-D140 HydrophobicContact CE-CB 4.43Å; M138-E160 HydrophobicContact CE-CG 4Å; M138-E160 HydrophobicContact SD-CB 3.53Å; M138-E160 VanDerWaalsContact SD-CB 3.53Å; M138-E160 HydrophobicContact SD-CG 3.32Å; M138-E160 WeakPolarHBondContact SD-CG 3.45Å; M138-N162 HydrophobicContact CE-CB 3.87Å
139I98.8Very high97.9Very high0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-117.8120.4166.1-53.9179.5000108.3V115 L129 I136 L141 L156 A158 E160 I161 N162V115-I139 HydrophobicContact CB-CG2 4.49Å; V115-I139 CarbonylContact O-C 3.45Å; V115-I139 WeakPolarHBondContact O-CA 3.38Å; L129-I139 HydrophobicContact CD1-CD1 4.34Å; I136-I139 HydrophobicContact CB-CG1 4.37Å; I136-I139 HydrophobicContact CD1-CD1 3.72Å; I136-I139 HydrophobicContact CD1-CG1 4.15Å; I136-I139 HydrophobicContact CG2-CD1 4.12Å; I136-I139 HydrophobicContact CG2-CG1 3.46Å; I136-I139 VanDerWaalsContact CG2-CG1 3.46Å; I139-L141 HydrophobicContact CG2-CD1 3.89Å; I139-L141 HydrophobicContact CG2-CD2 4.38Å; I139-L141 HydrophobicContact CG2-CG 3.74Å; I139-L156 HydrophobicContact CD1-CD1 3.82Å; I139-L156 HydrophobicContact CD1-CD2 3.99Å; I139-L156 HydrophobicContact CD1-CG 4.38Å; I139-A158 HydrophobicContact CD1-CB 4Å; I139-A158 HydrophobicContact CG1-CB 4.23Å; I139-E160 PolarHBondContact N-O 3.38Å; I139-I161 WeakPolarHBondContact O-CA 3.33Å; I139-N162 PolarHBondContact O-N 3.26Å
140D98.9Very high97.9Very high28 Ų2834.1 Ų34.115%0.1518%0.183CC..EExtended strand (participates in β ladder)trans-105.4112.4169.5-157.7-34.7000110.8V115 N116 L117 S118 M138 S142 N162V115-D140 PolarHBondContact O-N 3.47Å; N116-D140 HydrophobicContact CB-CB 4.49Å; L117-D140 CarbonylContact C-O 3.21Å; L117-D140 PolarHBondContact N-O 3.37Å; S118-D140 WeakPolarHBondContact CB-OD1 3.34Å; S118-D140 PolarHBondContact N-O 2.97Å; M138-D140 HydrophobicContact CE-CB 4.43Å; D140-S142 WeakPolarHBondContact OD1-CB 3.44Å; D140-S142 PolarHBondContact OD1-N 3.01Å; D140-S142 PolarHBondContact OD1-OG 3.41Å; D140-N162 HydrophobicContact CB-CB 4.45Å; D140-N162 PolarHBondContact OD1-ND2 3.03Å; D140-N162 PolarHBondContact OD2-ND2 3.44Å
141L98.9Very high98Very high0 Ų039.2 Ų39.20%021%0.21CC..  trans-116.714175.5-66.9166.1000111L117 L122 F125 P126 I139 N144 I146 N162 L163 N166L117-L141 HydrophobicContact CB-CD2 4.05Å; L117-L141 HydrophobicContact CD1-CD2 4.1Å; L122-L141 HydrophobicContact CD1-CD2 3.77Å; F125-L141 HydrophobicContact CD2-CD1 4.17Å; F125-L141 HydrophobicContact CE2-CD1 3.76Å; F125-L141 HydrophobicContact CZ-CD1 4.14Å; P126-L141 HydrophobicContact CG-CD1 3.93Å; P126-L141 HydrophobicContact CG-CD2 3.88Å; I139-L141 HydrophobicContact CG2-CD1 3.89Å; I139-L141 HydrophobicContact CG2-CD2 4.38Å; I139-L141 HydrophobicContact CG2-CG 3.74Å; L141-N144 WeakPolarHBondContact O-CB 3.28Å; L141-N144 PolarHBondContact O-ND2 3.31Å; L141-I146 HydrophobicContact CB-CD1 4.08Å; L141-I146 HydrophobicContact CD1-CD1 4.24Å; L141-I146 HydrophobicContact CD2-CD1 4.37Å; L141-I146 HydrophobicContact CG-CD1 4.45Å; L141-N162 CarbonylContact C-O 3.4Å; L141-N162 WeakPolarHBondContact CA-O 3.38Å; L141-N162 PolarHBondContact N-O 2.89Å; L141-L163 HydrophobicContact CB-CD2 3.66Å; L141-L163 HydrophobicContact CB-CG 4.46Å; L141-L163 HydrophobicContact CD1-CD2 3.8Å; L141-L163 HydrophobicContact CG-CD2 4.37Å; L141-N166 PolarHBondContact O-ND2 3.15Å
142S98.9Very high98.1Very high8 Ų839.5 Ų39.56%0.05622%0.217CC..  trans-63.4156.2-17763.90000112.5S118 H119 D140 N144 N162 N164S118-S142 CarbonylContact C-O 3.15Å; S118-S142 WeakPolarHBondContact CA-O 3.46Å; S118-S142 VanDerWaalsContact CB-O 3.29Å; S118-S142 WeakPolarHBondContact CB-O 3.32Å; S118-S142 WeakPolarHBondContact CB-OG 3.47Å; H119-S142 PolarHBondContact N-O 3.46Å; D140-S142 WeakPolarHBondContact OD1-CB 3.44Å; D140-S142 PolarHBondContact OD1-N 3.01Å; D140-S142 PolarHBondContact OD1-OG 3.41Å; S142-N144 PolarHBondContact O-N 2.89Å; S142-N144 PolarHBondContact O-ND2 2.95Å; S142-N162 PolarHBondContact N-O 3.14Å; S142-N164 CarbonylContact C-O 3.48Å; S142-N164 WeakPolarHBondContact CA-O 3.5Å; S142-N164 VanDerWaalsContact CB-O 3.3Å; S142-N164 WeakPolarHBondContact CB-O 3.36Å
143N98.9Very high98.2Very high58 Ų5833.4 Ų33.431%0.3119%0.191SC..SBendtrans56.750179.5-57-83.9000112.3H119 N120 N164 S165H119-N143 VanDerWaalsContact CA-O 3.23Å; H119-N143 WeakPolarHBondContact CA-O 3.11Å; H119-N143 HydrophobicContact CB-CB 4.49Å; H119-N143 PolarHBondContact CE1-ND2 3.26Å; H119-N143 VanDerWaalsContact CE1-ND2 3.34Å; H119-N143 PolarHBondContact N-O 3.11Å; H119-N143 WeakPolarHBondContact ND1-CB 3.47Å; H119-N143 PolarHBondContact NE2-ND2 3.23Å; N120-N143 PolarHBondContact N-O 2.87Å; N143-N164 PolarHBondContact N-O 3.28Å; N143-S165 WeakPolarHBondContact CA-O 3.33Å; N143-S165 PolarHBondContact N-O 2.93Å; N143-S165 WeakPolarHBondContact OD1-CB 3.38Å
144N98.9Very high98.3Very high1 Ų130.9 Ų30.91%0.00518%0.178CC..SBendtrans-122.4-162.9172.5-85.7-77.8000109.3L117 N120 Y121 L122 L141 S142 I146 S165 N166L117-N144 PolarHBondContact O-ND2 3.01Å; N120-N144 VanDerWaalsContact CA-OD1 3.29Å; N120-N144 WeakPolarHBondContact CA-OD1 3.37Å; N120-N144 WeakPolarHBondContact CB-OD1 3.1Å; N120-N144 PolarHBondContact O-OD1 2.63Å; Y121-N144 PolarHBondContact N-OD1 3.05Å; L122-N144 HydrophobicContact CB-CB 4.17Å; L122-N144 VanDerWaalsContact CB-OD1 3.31Å; L122-N144 WeakPolarHBondContact CB-OD1 3.39Å; L122-N144 WeakPolarHBondContact CG-OD1 3.3Å; L122-N144 PolarHBondContact N-OD1 3.3Å; L141-N144 WeakPolarHBondContact O-CB 3.28Å; L141-N144 PolarHBondContact O-ND2 3.31Å; S142-N144 PolarHBondContact O-N 2.89Å; S142-N144 PolarHBondContact O-ND2 2.95Å; N144-I146 HydrophobicContact CB-CD1 4.38Å; N144-I146 HydrophobicContact CB-CG1 4.22Å; N144-S165 PolarHBondContact N-O 3.1Å; N144-N166 VanDerWaalsContact CA-OD1 3.31Å; N144-N166 WeakPolarHBondContact CA-OD1 3.45Å; N144-N166 WeakPolarHBondContact CB-OD1 3.48Å; N144-N166 PolarHBondContact N-OD1 3.26Å; N144-N166 PolarHBondContact O-OD1 3.48Å
145Q98.7Very high98.3Very high68 Ų6833 Ų3332%0.31819%0.192SC..  trans-121.722.5-178.6-55.2-61.5-47.600111.9L122 T123 S147 N166L122-Q145 CarbonylContact O-C 3.48Å; L122-Q145 VanDerWaalsContact O-CA 3.24Å; L122-Q145 WeakPolarHBondContact O-CA 3.31Å; L122-Q145 WeakPolarHBondContact O-CB 3.31Å; L122-Q145 PolarHBondContact O-N 3.04Å; T123-Q145 HydrophobicContact CG2-CB 4.12Å; Q145-S147 PolarHBondContact O-N 3.19Å; Q145-N166 PolarHBondContact N-OD1 2.93Å
146I98.8Very high98.4Very high0 Ų031.2 Ų31.20%018%0.18CC..  trans-68.5130.2-174.5-58.8170.8000109.3L122 F125 L141 N144 L163 N166 K167 I168L122-I146 HydrophobicContact CB-CD1 4.32Å; L122-I146 HydrophobicContact CB-CG1 4.11Å; L122-I146 WeakPolarHBondContact O-CG1 3.47Å; L122-I146 PolarHBondContact O-N 2.97Å; L122-I146 VanDerWaalsContact O-N 3.09Å; F125-I146 HydrophobicContact CB-CG2 4.25Å; L141-I146 HydrophobicContact CB-CD1 4.08Å; L141-I146 HydrophobicContact CD1-CD1 4.24Å; L141-I146 HydrophobicContact CD2-CD1 4.37Å; L141-I146 HydrophobicContact CG-CD1 4.45Å; N144-I146 HydrophobicContact CB-CD1 4.38Å; N144-I146 HydrophobicContact CB-CG1 4.22Å; I146-L163 HydrophobicContact CD1-CD2 4.03Å; I146-N166 WeakPolarHBondContact CB-OD1 3.48Å; I146-N166 PolarHBondContact N-OD1 2.92Å; I146-K167 CarbonylContact O-C 3.48Å; I146-K167 WeakPolarHBondContact O-CA 3.14Å; I146-K167 PolarHBondContact O-N 3.48Å; I146-I168 HydrophobicContact CG2-CG1 4.47Å; I146-I168 WeakPolarHBondContact O-CG1 3.29Å; I146-I168 PolarHBondContact O-N 3.45Å; I146-I168 VanDerWaalsContact O-N 3.08Å
147S98.2Very high98.4Very high46 Ų4631.9 Ų31.932%0.32218%0.184SC..  trans-107-20.8-175.957.50000114.9Q145 K167 I168 S169Q145-S147 PolarHBondContact O-N 3.19Å; S147-K167 WeakPolarHBondContact CA-O 3.4Å; S147-I168 WeakPolarHBondContact O-CA 3.14Å; S147-S169 PolarHBondContact O-N 2.76Å; S147-S169 PolarHBondContact O-OG 3.37Å
148I98.4Very high98.4Very high76 Ų7628.8 Ų28.839%0.3917%0.167SC..EExtended strand (participates in β ladder)trans-138135.4-172.7-58.8176.6000109.6I170I148-I170 WeakPolarHBondContact CA-O 3.28Å; I148-I170 HydrophobicContact CD1-CD1 4.38Å; I148-I170 HydrophobicContact CG1-CB 4.26Å; I148-I170 HydrophobicContact CG1-CD1 4.39Å; I148-I170 HydrophobicContact CG2-CB 4.35Å; I148-I170 HydrophobicContact CG2-CG2 4.39Å
149I98.5Very high98.4Very high1 Ų129.3 Ų29.31%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-92110.8160.2-54.7-178.3000107.9I153 L163 I168 I170 I171 S172 I175 L186I149-I153 HydrophobicContact CG2-CB 3.89Å; I149-I153 HydrophobicContact CG2-CD1 4.01Å; I149-I153 HydrophobicContact CG2-CG1 3.75Å; I149-I153 HydrophobicContact CG2-CG2 4.06Å; I149-L163 HydrophobicContact CD1-CD1 3.57Å; I149-L163 HydrophobicContact CG1-CD1 4.07Å; I149-I168 HydrophobicContact CD1-CD1 4.22Å; I149-I168 HydrophobicContact CD1-CG2 4.49Å; I149-I168 HydrophobicContact CG1-CD1 4.1Å; I149-I168 HydrophobicContact CG1-CG2 4.16Å; I149-I170 PolarHBondContact N-O 3.31Å; I149-I171 HydrophobicContact CB-CG2 4.27Å; I149-I171 HydrophobicContact CD1-CG1 4.04Å; I149-I171 HydrophobicContact CD1-CG2 4.08Å; I149-I171 HydrophobicContact CG1-CG1 4.47Å; I149-S172 VanDerWaalsContact O-CB 3.25Å; I149-S172 WeakPolarHBondContact O-CB 3.16Å; I149-S172 PolarHBondContact O-N 2.79Å; I149-I175 HydrophobicContact CD1-CD1 4.1Å; I149-I175 HydrophobicContact CG2-CD1 4.35Å; I149-L186 HydrophobicContact CD1-CD2 3.95Å
150P98.2Very high98.4Very high32 Ų3231.5 Ų31.521%0.20818%0.181CC..  trans-81.6166.3-169.233.2-36.6000112.8F125 V127 A152 I153F125-P150 VanDerWaalsContact CB-CD 3.48Å; F125-P150 HydrophobicContact CB-CG 3.96Å; F125-P150 HydrophobicContact CD1-CG 4.24Å; F125-P150 HydrophobicContact CG-CG 4.25Å; V127-P150 HydrophobicContact CG1-CB 4.38Å; V127-P150 HydrophobicContact CG1-CG 3.58Å; P150-A152 HydrophobicContact CG-CB 4.48Å; P150-A152 PolarHBondContact O-N 3.41Å; P150-A152 VanDerWaalsContact O-N 3.14Å; P150-I153 VanDerWaalsContact O-CB 3.23Å; P150-I153 WeakPolarHBondContact O-CB 3.12Å; P150-I153 WeakPolarHBondContact O-CG2 3.07Å; P150-I153 PolarHBondContact O-N 2.82Å
151N98.2Very high98.4Very high116 Ų11630.2 Ų30.262%0.6217%0.174SC*.G310 helixtrans-57.1-29.4176.8-68.6-5.2000113.6I153 A154 S172N151-I153 PolarHBondContact O-N 3.35Å; N151-A154 PolarHBondContact O-N 3.34Å; N151-S172 WeakPolarHBondContact CA-OG 3.48Å; N151-S172 VanDerWaalsContact OD1-CB 3.26Å; N151-S172 WeakPolarHBondContact OD1-CB 3.23Å; N151-S172 PolarHBondContact OD1-OG 2.88Å
152A97.4Very high98.4Very high42 Ų4231.1 Ų31.135%0.34718%0.179SC..G310 helixtrans-54.3-26.2176.900000112.6V127 C130 P150 A154 S155V127-A152 HydrophobicContact CB-CB 4.19Å; V127-A152 HydrophobicContact CG1-CB 3.93Å; C130-A152 HydrophobicContact CB-CB 4.08Å; C130-A152 VanDerWaalsContact CB-O 3.24Å; C130-A152 WeakPolarHBondContact CB-O 3.3Å; P150-A152 HydrophobicContact CG-CB 4.48Å; P150-A152 PolarHBondContact O-N 3.41Å; P150-A152 VanDerWaalsContact O-N 3.14Å; A152-A154 PolarHBondContact O-N 3.31Å; A152-S155 PolarHBondContact O-N 2.79Å; A152-S155 VanDerWaalsContact O-N 3.08Å
153I98.2Very high98.4Very high1 Ų130.8 Ų30.81%0.00518%0.176CC..G310 helixtrans-50.2-28.6178.2-160.270.5000113.3F125 I149 P150 N151 S155 L156 I161 I175 C178F125-I153 HydrophobicContact CE1-CD1 3.73Å; F125-I153 HydrophobicContact CE2-CD1 3.84Å; F125-I153 HydrophobicContact CZ-CD1 3.3Å; I149-I153 HydrophobicContact CG2-CB 3.89Å; I149-I153 HydrophobicContact CG2-CD1 4.01Å; I149-I153 HydrophobicContact CG2-CG1 3.75Å; I149-I153 HydrophobicContact CG2-CG2 4.06Å; P150-I153 VanDerWaalsContact O-CB 3.23Å; P150-I153 WeakPolarHBondContact O-CB 3.12Å; P150-I153 WeakPolarHBondContact O-CG2 3.07Å; P150-I153 PolarHBondContact O-N 2.82Å; N151-I153 PolarHBondContact O-N 3.35Å; I153-S155 PolarHBondContact O-N 3.25Å; I153-L156 HydrophobicContact CD1-CB 4.17Å; I153-L156 HydrophobicContact CD1-CD2 3.43Å; I153-L156 VanDerWaalsContact CD1-CD2 3.43Å; I153-L156 HydrophobicContact CD1-CG 4.45Å; I153-L156 HydrophobicContact CG1-CD2 4.46Å; I153-L156 WeakPolarHBondContact O-CB 3.31Å; I153-L156 PolarHBondContact O-N 2.87Å; I153-I161 HydrophobicContact CD1-CD1 4.27Å; I153-I175 HydrophobicContact CG1-CG1 4.29Å; I153-I175 HydrophobicContact CG2-CB 4.03Å; I153-I175 HydrophobicContact CG2-CG1 4.49Å; I153-C178 PolarHBondContact O-SG 2.92Å
154A97.9Very high98.4Very high18 Ų1829.1 Ų29.115%0.14917%0.167CC..G310 helixtrans-50.5-34.7178.200000113.8N151 A152 Q177N151-A154 PolarHBondContact O-N 3.34Å; A152-A154 PolarHBondContact O-N 3.31Å; A154-Q177 HydrophobicContact CB-CB 4.25Å
155S97.6Very high98.4Very high43 Ų4331.1 Ų31.130%0.30118%0.182SC..G310 helixtrans-89.3-6.2-176.9-65.40000113.3C130 L131 K132 A152 I153 Q157C130-S155 VanDerWaalsContact O-CB 3.29Å; C130-S155 WeakPolarHBondContact O-CB 3.19Å; L131-S155 CarbonylContact C-O 3.4Å; K132-S155 PolarHBondContact N-O 2.94Å; A152-S155 PolarHBondContact O-N 2.79Å; A152-S155 VanDerWaalsContact O-N 3.08Å; I153-S155 PolarHBondContact O-N 3.25Å; S155-Q157 PolarHBondContact O-N 3.31Å
156L98Very high98.4Very high1 Ų128.4 Ų28.41%0.00517%0.169CC..  trans-69.8125.8-177.5-175.564.7000111.2F125 L129 I136 I139 I153 A158 I161F125-L156 HydrophobicContact CZ-CD2 4.06Å; L129-L156 HydrophobicContact CB-CD1 4.28Å; L129-L156 WeakPolarHBondContact O-CD1 3.46Å; I136-L156 HydrophobicContact CD1-CD1 4.3Å; I139-L156 HydrophobicContact CD1-CD1 3.82Å; I139-L156 HydrophobicContact CD1-CD2 3.99Å; I139-L156 HydrophobicContact CD1-CG 4.38Å; I153-L156 HydrophobicContact CD1-CB 4.17Å; I153-L156 HydrophobicContact CD1-CD2 3.43Å; I153-L156 VanDerWaalsContact CD1-CD2 3.43Å; I153-L156 HydrophobicContact CD1-CG 4.45Å; I153-L156 HydrophobicContact CG1-CD2 4.46Å; I153-L156 WeakPolarHBondContact O-CB 3.31Å; I153-L156 PolarHBondContact O-N 2.87Å; L156-A158 HydrophobicContact CD1-CB 4.46Å; L156-A158 HydrophobicContact CD2-CB 4.03Å; L156-A158 HydrophobicContact CG-CB 3.93Å; L156-A158 PolarHBondContact O-N 3.08Å; L156-I161 HydrophobicContact CD2-CD1 3.36Å; L156-I161 HydrophobicContact CD2-CG1 4.14Å
157Q97.8Very high98.4Very high14 Ų1433.6 Ų33.67%0.06519%0.192CC..  trans-10249.7-179.5-65.9-68.4-31.800111.6I134 I136 S155 E179 R180I134-Q157 WeakPolarHBondContact O-CB 3.48Å; I136-Q157 PolarHBondContact N-O 3.34Å; S155-Q157 PolarHBondContact O-N 3.31Å; Q157-E179 PolarHBondContact NE2-OE2 2.87Å; Q157-R180 PolarHBondContact O-NH1 3.11Å; Q157-R180 VanDerWaalsContact OE1-CG 3.26Å
158A98.5Very high98.4Very high1 Ų131.4 Ų31.41%0.00818%0.176CC..  trans-96.2145.4176.500000112I136 I139 L156 I161 R180 L181I136-A158 HydrophobicContact CB-CB 4.3Å; I136-A158 HydrophobicContact CG2-CB 4.46Å; I136-A158 VanDerWaalsContact O-CA 3.3Å; I136-A158 WeakPolarHBondContact O-CA 3.37Å; I139-A158 HydrophobicContact CD1-CB 4Å; I139-A158 HydrophobicContact CG1-CB 4.23Å; L156-A158 HydrophobicContact CD1-CB 4.46Å; L156-A158 HydrophobicContact CD2-CB 4.03Å; L156-A158 HydrophobicContact CG-CB 3.93Å; L156-A158 PolarHBondContact O-N 3.08Å; A158-I161 HydrophobicContact CB-CD1 4.27Å; A158-I161 HydrophobicContact CB-CG1 3.84Å; A158-R180 CarbonylContact O-C 3.58Å; A158-L181 WeakPolarHBondContact O-CA 3.08Å; A158-L181 PolarHBondContact O-N 2.76Å; A158-L181 VanDerWaalsContact O-N 3.11Å
159I98.6Very high98.3Very high62 Ų6229.8 Ų29.832%0.31817%0.172SC..SBendtrans-83.9-44171.2-60.2172.7000110.4I136 N137 K182 V183I136-I159 PolarHBondContact O-N 3.22Å; N137-I159 HydrophobicContact CB-CD1 4.41Å; N137-I159 WeakPolarHBondContact O-CB 3.45Å; N137-I159 PolarHBondContact O-N 3.13Å; I159-K182 HydrophobicContact CG2-CB 4.24Å; I159-K182 HydrophobicContact CG2-CG 4.19Å; I159-K182 PolarHBondContact O-N 3.47Å; I159-V183 PolarHBondContact O-N 2.81Å; I159-V183 VanDerWaalsContact O-N 3.12Å
160E98.7Very high98.3Very high46 Ų4633.7 Ų33.722%0.21519%0.192CC..EExtended strand (participates in β ladder)trans-129.6136.2179.9-178.4167.4174.500111N137 M138 I139 V183 R185N137-E160 PolarHBondContact O-N 3.26Å; M138-E160 HydrophobicContact CE-CG 4Å; M138-E160 HydrophobicContact SD-CB 3.53Å; M138-E160 VanDerWaalsContact SD-CB 3.53Å; M138-E160 HydrophobicContact SD-CG 3.32Å; M138-E160 WeakPolarHBondContact SD-CG 3.45Å; I139-E160 PolarHBondContact N-O 3.38Å; E160-V183 WeakPolarHBondContact CA-O 3.17Å; E160-V183 HydrophobicContact CB-CB 3.94Å; E160-V183 HydrophobicContact CB-CG1 4.5Å; E160-V183 HydrophobicContact CG-CB 3.65Å; E160-V183 HydrophobicContact CG-CG1 3.66Å; E160-R185 IonicContact OE1-CZ 3.05Å; E160-R185 IonicContact OE1-NE 3.71Å; E160-R185 PolarHBondContact OE1-NE 3.06Å; E160-R185 IonicContact OE1-NH2 2.8Å; E160-R185 PolarHBondContact OE1-NH2 3.44Å
161I98.7Very high98.3Very high1 Ų132.4 Ų32.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-127.5120.3173.6-55.1167.3000108I139 I153 L156 A158 L163 L181 V183 L184 R185I139-I161 WeakPolarHBondContact O-CA 3.33Å; I153-I161 HydrophobicContact CD1-CD1 4.27Å; L156-I161 HydrophobicContact CD2-CD1 3.36Å; L156-I161 HydrophobicContact CD2-CG1 4.14Å; A158-I161 HydrophobicContact CB-CD1 4.27Å; A158-I161 HydrophobicContact CB-CG1 3.84Å; I161-L163 HydrophobicContact CG2-CD1 3.73Å; I161-L163 HydrophobicContact CG2-CG 3.81Å; I161-L181 HydrophobicContact CB-CD1 4.26Å; I161-L181 HydrophobicContact CD1-CD1 3.57Å; I161-L181 HydrophobicContact CD1-CD2 4.1Å; I161-L181 HydrophobicContact CD1-CG 4.47Å; I161-L181 HydrophobicContact CG1-CD1 3.64Å; I161-V183 PolarHBondContact N-O 2.87Å; I161-L184 HydrophobicContact CB-CD1 4.34Å; I161-R185 PolarHBondContact O-N 2.99Å
162N98.9Very high98.3Very high18 Ų1827.5 Ų27.510%0.09616%0.158CC..EExtended strand (participates in β ladder)trans-99.9112.8171.8-175.57.4000110.1M138 I139 D140 L141 S142 N164M138-N162 HydrophobicContact CE-CB 3.87Å; I139-N162 PolarHBondContact O-N 3.26Å; D140-N162 HydrophobicContact CB-CB 4.45Å; D140-N162 PolarHBondContact OD1-ND2 3.03Å; D140-N162 PolarHBondContact OD2-ND2 3.44Å; L141-N162 CarbonylContact C-O 3.4Å; L141-N162 WeakPolarHBondContact CA-O 3.38Å; L141-N162 PolarHBondContact N-O 2.89Å; S142-N162 PolarHBondContact N-O 3.14Å; N162-N164 VanDerWaalsContact OD1-CB 3.31Å; N162-N164 WeakPolarHBondContact OD1-CB 3.36Å; N162-N164 VanDerWaalsContact OD1-CG 3.24Å; N162-N164 PolarHBondContact OD1-N 3.5Å; N162-N164 VanDerWaalsContact OD1-N 3.11Å
163L98.8Very high98.3Very high1 Ų129.3 Ų29.31%0.00516%0.162CC..  trans-120.420.9176.8-75.6158000111.4F125 L141 I146 I149 I161 N166 I168 L184 R185 L186 N189F125-L163 HydrophobicContact CD2-CD2 4.34Å; F125-L163 HydrophobicContact CE2-CD1 4.24Å; F125-L163 HydrophobicContact CE2-CD2 4.3Å; L141-L163 HydrophobicContact CB-CD2 3.66Å; L141-L163 HydrophobicContact CB-CG 4.46Å; L141-L163 HydrophobicContact CD1-CD2 3.8Å; L141-L163 HydrophobicContact CG-CD2 4.37Å; I146-L163 HydrophobicContact CD1-CD2 4.03Å; I149-L163 HydrophobicContact CD1-CD1 3.57Å; I149-L163 HydrophobicContact CG1-CD1 4.07Å; I161-L163 HydrophobicContact CG2-CD1 3.73Å; I161-L163 HydrophobicContact CG2-CG 3.81Å; L163-N166 PolarHBondContact O-ND2 2.99Å; L163-N166 VanDerWaalsContact O-ND2 3.12Å; L163-I168 HydrophobicContact CB-CD1 3.6Å; L163-I168 HydrophobicContact CD1-CD1 3.87Å; L163-I168 HydrophobicContact CD2-CD1 3.94Å; L163-I168 HydrophobicContact CG-CD1 4Å; L163-L184 HydrophobicContact CD1-CD1 4.36Å; L163-R185 CarbonylContact C-O 3.45Å; L163-R185 WeakPolarHBondContact CA-O 3.49Å; L163-R185 WeakPolarHBondContact CB-O 3.49Å; L163-R185 PolarHBondContact N-O 2.92Å; L163-L186 HydrophobicContact CB-CD2 3.96Å; L163-L186 HydrophobicContact CD1-CD2 4.15Å; L163-N189 PolarHBondContact O-ND2 2.98Å
164N98.8Very high98.3Very high24 Ų2430.3 Ų30.313%0.12817%0.169CC..  trans-57.4150.5178.3-72.3-2.6000111.9S142 N143 N162 N166 R185 L186 E187S142-N164 CarbonylContact C-O 3.48Å; S142-N164 WeakPolarHBondContact CA-O 3.5Å; S142-N164 VanDerWaalsContact CB-O 3.3Å; S142-N164 WeakPolarHBondContact CB-O 3.36Å; N143-N164 PolarHBondContact N-O 3.28Å; N162-N164 VanDerWaalsContact OD1-CB 3.31Å; N162-N164 WeakPolarHBondContact OD1-CB 3.36Å; N162-N164 VanDerWaalsContact OD1-CG 3.24Å; N162-N164 PolarHBondContact OD1-N 3.5Å; N162-N164 VanDerWaalsContact OD1-N 3.11Å; N164-N166 PolarHBondContact O-N 2.87Å; N164-N166 PolarHBondContact O-ND2 2.8Å; N164-R185 WeakPolarHBondContact OD1-CB 3.32Å; N164-R185 PolarHBondContact OD1-O 2.88Å; N164-L186 PolarHBondContact OD1-N 3.18Å; N164-L186 VanDerWaalsContact OD1-N 3.13Å; N164-E187 CarbonylContact C-O 3.12Å; N164-E187 WeakPolarHBondContact CA-O 3.43Å; N164-E187 HydrophobicContact CB-CB 4.43Å; N164-E187 PolarHBondContact ND2-OE2 3.46Å; N164-E187 WeakPolarHBondContact OD1-CB 3.32Å; N164-E187 PolarHBondContact OD1-N 2.8Å
165S98.7Very high98.3Very high43 Ų4329.5 Ų29.530%0.30116%0.162SC..SBendtrans54.553.6175.8-55.20000112.3N143 N144 E187 N188N143-S165 WeakPolarHBondContact CA-O 3.33Å; N143-S165 PolarHBondContact N-O 2.93Å; N143-S165 WeakPolarHBondContact OD1-CB 3.38Å; N144-S165 PolarHBondContact N-O 3.1Å; S165-E187 PolarHBondContact N-O 2.99Å; S165-N188 VanDerWaalsContact CA-O 3.27Å; S165-N188 WeakPolarHBondContact CA-O 3.45Å; S165-N188 PolarHBondContact N-O 3.19Å
166N98.8Very high98.3Very high11 Ų1128.1 Ų28.16%0.05915%0.153CC..SBendtrans-121.7-164.4173.1-89.3-82.5000109.1L141 N144 Q145 I146 L163 N164 I168 N188 N189L141-N166 PolarHBondContact O-ND2 3.15Å; N144-N166 VanDerWaalsContact CA-OD1 3.31Å; N144-N166 WeakPolarHBondContact CA-OD1 3.45Å; N144-N166 WeakPolarHBondContact CB-OD1 3.48Å; N144-N166 PolarHBondContact N-OD1 3.26Å; N144-N166 PolarHBondContact O-OD1 3.48Å; Q145-N166 PolarHBondContact N-OD1 2.93Å; I146-N166 WeakPolarHBondContact CB-OD1 3.48Å; I146-N166 PolarHBondContact N-OD1 2.92Å; L163-N166 PolarHBondContact O-ND2 2.99Å; L163-N166 VanDerWaalsContact O-ND2 3.12Å; N164-N166 PolarHBondContact O-N 2.87Å; N164-N166 PolarHBondContact O-ND2 2.8Å; N166-I168 HydrophobicContact CB-CD1 4.32Å; N166-I168 HydrophobicContact CB-CG1 4.02Å; N166-N188 PolarHBondContact N-O 2.94Å; N166-N189 VanDerWaalsContact CA-OD1 3.31Å; N166-N189 WeakPolarHBondContact CA-OD1 3.3Å; N166-N189 WeakPolarHBondContact CB-OD1 3.46Å; N166-N189 PolarHBondContact N-OD1 2.87Å; N166-N189 PolarHBondContact O-OD1 3.45Å
167K98.4Very high98.3Very high108 Ų10834.2 Ų34.247%0.4718%0.181SC..  trans-113.425177.3-70178.3166.5164.20111.9I146 S147 S169 N189I146-K167 CarbonylContact O-C 3.48Å; I146-K167 WeakPolarHBondContact O-CA 3.14Å; I146-K167 PolarHBondContact O-N 3.48Å; S147-K167 WeakPolarHBondContact CA-O 3.4Å; K167-S169 PolarHBondContact O-N 3.23Å; K167-S169 VanDerWaalsContact O-N 3.14Å; K167-N189 PolarHBondContact N-OD1 3.06Å
168I98.6Very high98.3Very high0 Ų033.7 Ų33.70%018%0.179CC..  trans-63.9121.2-170.7-59.4172.9000108.9I146 S147 I149 L163 N166 I171 L186 N189 C190 L191I146-I168 HydrophobicContact CG2-CG1 4.47Å; I146-I168 WeakPolarHBondContact O-CG1 3.29Å; I146-I168 PolarHBondContact O-N 3.45Å; I146-I168 VanDerWaalsContact O-N 3.08Å; S147-I168 WeakPolarHBondContact O-CA 3.14Å; I149-I168 HydrophobicContact CD1-CD1 4.22Å; I149-I168 HydrophobicContact CD1-CG2 4.49Å; I149-I168 HydrophobicContact CG1-CD1 4.1Å; I149-I168 HydrophobicContact CG1-CG2 4.16Å; L163-I168 HydrophobicContact CB-CD1 3.6Å; L163-I168 HydrophobicContact CD1-CD1 3.87Å; L163-I168 HydrophobicContact CD2-CD1 3.94Å; L163-I168 HydrophobicContact CG-CD1 4Å; N166-I168 HydrophobicContact CB-CD1 4.32Å; N166-I168 HydrophobicContact CB-CG1 4.02Å; I168-I171 HydrophobicContact CG2-CG1 4.03Å; I168-L186 HydrophobicContact CD1-CD2 3.65Å; I168-N189 HydrophobicContact CB-CB 4.22Å; I168-N189 VanDerWaalsContact CB-OD1 3.26Å; I168-N189 WeakPolarHBondContact CB-OD1 3.16Å; I168-N189 VanDerWaalsContact CG1-OD1 3.3Å; I168-N189 WeakPolarHBondContact CG1-OD1 3.26Å; I168-N189 PolarHBondContact N-OD1 2.65Å; I168-C190 CarbonylContact O-C 3.1Å; I168-C190 VanDerWaalsContact O-CA 3.29Å; I168-C190 WeakPolarHBondContact O-CA 3.32Å; I168-C190 PolarHBondContact O-N 2.94Å; I168-L191 HydrophobicContact CB-CD2 4.5Å; I168-L191 HydrophobicContact CG2-CD2 3.8Å; I168-L191 PolarHBondContact O-N 3.26Å; I168-L191 VanDerWaalsContact O-N 3.08Å
169S97.7Very high98.2Very high42 Ų4238.6 Ų38.629%0.29420%0.202SC..  trans-120.3-20.2177.754.70000112.2S147 K167S147-S169 PolarHBondContact O-N 2.76Å; S147-S169 PolarHBondContact O-OG 3.37Å; K167-S169 PolarHBondContact O-N 3.23Å; K167-S169 VanDerWaalsContact O-N 3.14Å
170I97.9Very high98.1Very high84 Ų8438.9 Ų38.943%0.43120%0.199SC..EExtended strand (participates in β ladder)trans-128.9130.9-179.3-57.8173.7000108.9I148 I149I148-I170 WeakPolarHBondContact CA-O 3.28Å; I148-I170 HydrophobicContact CD1-CD1 4.38Å; I148-I170 HydrophobicContact CG1-CB 4.26Å; I148-I170 HydrophobicContact CG1-CD1 4.39Å; I148-I170 HydrophobicContact CG2-CB 4.35Å; I148-I170 HydrophobicContact CG2-CG2 4.39Å; I149-I170 PolarHBondContact N-O 3.31Å
171I98.2Very high98.1Very high5 Ų536.7 Ų36.73%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-119.7121.2170.7-55.2171.8000107.6I149 I168 N173 I175 L186 L191 F196 P197I149-I171 HydrophobicContact CB-CG2 4.27Å; I149-I171 HydrophobicContact CD1-CG1 4.04Å; I149-I171 HydrophobicContact CD1-CG2 4.08Å; I149-I171 HydrophobicContact CG1-CG1 4.47Å; I168-I171 HydrophobicContact CG2-CG1 4.03Å; I171-N173 PolarHBondContact O-N 2.98Å; I171-I175 HydrophobicContact CG2-CB 4.2Å; I171-I175 HydrophobicContact CG2-CD1 3.94Å; I171-I175 HydrophobicContact CG2-CG2 3.74Å; I171-L186 HydrophobicContact CD1-CD1 3.59Å; I171-L191 HydrophobicContact CD1-CD1 3.84Å; I171-L191 HydrophobicContact CD1-CD2 3.64Å; I171-L191 HydrophobicContact CD1-CG 4.42Å; I171-L191 HydrophobicContact CG1-CD2 3.71Å; I171-F196 HydrophobicContact CD1-CD2 4.44Å; I171-F196 HydrophobicContact CD1-CE2 4.31Å; I171-P197 HydrophobicContact CB-CG 4Å; I171-P197 HydrophobicContact CG2-CG 3.8Å
172S97.9Very high98.1Very high12 Ų1240.2 Ų40.28%0.08420%0.204CC..  trans-61.3135.2171.91730000111.7I149 N151 S174 I175I149-S172 VanDerWaalsContact O-CB 3.25Å; I149-S172 WeakPolarHBondContact O-CB 3.16Å; I149-S172 PolarHBondContact O-N 2.79Å; N151-S172 WeakPolarHBondContact CA-OG 3.48Å; N151-S172 VanDerWaalsContact OD1-CB 3.26Å; N151-S172 WeakPolarHBondContact OD1-CB 3.23Å; N151-S172 PolarHBondContact OD1-OG 2.88Å; S172-S174 PolarHBondContact O-N 3.23Å; S172-S174 VanDerWaalsContact OG-CB 3.27Å; S172-S174 WeakPolarHBondContact OG-CB 3.5Å; S172-S174 PolarHBondContact OG-N 3.05Å; S172-S174 VanDerWaalsContact OG-N 3.13Å; S172-S174 PolarHBondContact OG-OG 3.25Å; S172-I175 WeakPolarHBondContact O-CB 3.47Å; S172-I175 WeakPolarHBondContact O-CG2 3.49Å; S172-I175 PolarHBondContact O-N 3.25Å
173N97.6Very high98.1Very high80 Ų8040.3 Ų40.343%0.42821%0.205SC..G310 helixtrans-58-22.7173.6-59.410.1000112.1I171 I175 A176 P197 E199I171-N173 PolarHBondContact O-N 2.98Å; N173-I175 PolarHBondContact O-N 2.94Å; N173-I175 VanDerWaalsContact O-N 3.1Å; N173-A176 WeakPolarHBondContact O-CB 3.47Å; N173-A176 PolarHBondContact O-N 2.91Å; N173-A176 VanDerWaalsContact O-N 3.09Å; N173-P197 HydrophobicContact CB-CB 4.48Å; N173-P197 WeakPolarHBondContact OD1-CB 3.34Å; N173-E199 VanDerWaalsContact ND2-CD 3.3Å; N173-E199 PolarHBondContact ND2-OE1 2.9Å; N173-E199 PolarHBondContact ND2-OE2 2.96Å
174S97.7Very high98.1Very high23 Ų2340.2 Ų40.216%0.16121%0.205CC..G310 helixtrans-59.3-17.6174.1-64.20000113.8S172 A176 Q177S172-S174 PolarHBondContact O-N 3.23Å; S172-S174 VanDerWaalsContact OG-CB 3.27Å; S172-S174 WeakPolarHBondContact OG-CB 3.5Å; S172-S174 PolarHBondContact OG-N 3.05Å; S172-S174 VanDerWaalsContact OG-N 3.13Å; S172-S174 PolarHBondContact OG-OG 3.25Å; S174-A176 PolarHBondContact O-N 3.45Å; S174-Q177 VanDerWaalsContact O-CB 3.32Å; S174-Q177 WeakPolarHBondContact O-CB 3.44Å; S174-Q177 PolarHBondContact O-N 3.22Å
175I98Very high98.1Very high1 Ų142.4 Ų42.41%0.00521%0.211CC..G310 helixtrans-58-26.6172.3-161.9169.9000112.9I149 I153 I171 S172 N173 Q177 C178 L181 L184 P197 L200I149-I175 HydrophobicContact CD1-CD1 4.1Å; I149-I175 HydrophobicContact CG2-CD1 4.35Å; I153-I175 HydrophobicContact CG1-CG1 4.29Å; I153-I175 HydrophobicContact CG2-CB 4.03Å; I153-I175 HydrophobicContact CG2-CG1 4.49Å; I171-I175 HydrophobicContact CG2-CB 4.2Å; I171-I175 HydrophobicContact CG2-CD1 3.94Å; I171-I175 HydrophobicContact CG2-CG2 3.74Å; S172-I175 WeakPolarHBondContact O-CB 3.47Å; S172-I175 WeakPolarHBondContact O-CG2 3.49Å; S172-I175 PolarHBondContact O-N 3.25Å; N173-I175 PolarHBondContact O-N 2.94Å; N173-I175 VanDerWaalsContact O-N 3.1Å; I175-Q177 PolarHBondContact O-N 2.95Å; I175-C178 WeakPolarHBondContact O-CB 3.46Å; I175-C178 PolarHBondContact O-N 3.23Å; I175-C178 PolarHBondContact O-SG 3.18Å; I175-C178 VanDerWaalsContact O-SG 3.35Å; I175-L181 HydrophobicContact CD1-CD2 4.34Å; I175-L181 HydrophobicContact CG1-CD2 4Å; I175-L184 HydrophobicContact CD1-CD1 4.17Å; I175-L184 HydrophobicContact CD1-CD2 3.48Å; I175-L184 VanDerWaalsContact CD1-CD2 3.48Å; I175-L184 HydrophobicContact CD1-CG 4.48Å; I175-P197 HydrophobicContact CG2-CG 4.29Å; I175-L200 HydrophobicContact CG2-CB 4.21Å; I175-L200 HydrophobicContact CG2-CD1 4.13Å; I175-L200 HydrophobicContact CG2-CD2 4.29Å; I175-L200 HydrophobicContact CG2-CG 4.43Å
176A97.6Very high98.1Very high13 Ų1340.3 Ų40.311%0.10720%0.197CC..G310 helixtrans-66.8-21.7175.800000112.8N173 S174 E199N173-A176 WeakPolarHBondContact O-CB 3.47Å; N173-A176 PolarHBondContact O-N 2.91Å; N173-A176 VanDerWaalsContact O-N 3.09Å; S174-A176 PolarHBondContact O-N 3.45Å; A176-E199 HydrophobicContact CB-CB 3.83Å; A176-E199 WeakPolarHBondContact CB-O 3.49Å
177Q97.6Very high98.1Very high129 Ų12942.2 Ų42.260%0.60321%0.205SC*.G310 helixtrans-85-6.9-178.4-58174-5.600113.2A154 S174 I175 E179A154-Q177 HydrophobicContact CB-CB 4.25Å; S174-Q177 VanDerWaalsContact O-CB 3.32Å; S174-Q177 WeakPolarHBondContact O-CB 3.44Å; S174-Q177 PolarHBondContact O-N 3.22Å; I175-Q177 PolarHBondContact O-N 2.95Å; Q177-E179 PolarHBondContact O-N 2.72Å
178C98Very high98.1Very high3 Ų341.5 Ų41.52%0.0221%0.207CC..  trans-60.8109.7176.7-64.20000110.7I153 I175 R180 L181I153-C178 PolarHBondContact O-SG 2.92Å; I175-C178 WeakPolarHBondContact O-CB 3.46Å; I175-C178 PolarHBondContact O-N 3.23Å; I175-C178 PolarHBondContact O-SG 3.18Å; I175-C178 VanDerWaalsContact O-SG 3.35Å; C178-R180 VanDerWaalsContact C-N 3.32Å; C178-R180 PolarHBondContact O-N 3.43Å; C178-L181 HydrophobicContact CB-CB 3.56Å; C178-L181 HydrophobicContact CB-CD2 4.19Å
179E96.6Very high98.1Very high104 Ų10441.9 Ų41.949%0.48621%0.209SC..SBendtrans-65.2-32.9-171.1-65.1165.8-171.400112.9K132 Q157 Q177K132-E179 IonicContact NZ-OE1 2.73Å; K132-E179 PolarHBondContact NZ-OE1 3.43Å; Q157-E179 PolarHBondContact NE2-OE2 2.87Å; Q177-E179 PolarHBondContact O-N 2.72Å
180R97.6Very high98.1Very high68 Ų6842.7 Ų42.726%0.25721%0.214SC..SBendtrans-104.1-15.8-175.4-68.4-179.373.7-141.82.5114.9P135 I136 N137 Q157 A158 C178 K182P135-R180 VanDerWaalsContact CA-NH1 3.28Å; P135-R180 PolarHBondContact O-NH1 2.95Å; I136-R180 PolarHBondContact O-NH1 3.29Å; N137-R180 PolarHBondContact OD1-NH2 3.21Å; Q157-R180 PolarHBondContact O-NH1 3.11Å; Q157-R180 VanDerWaalsContact OE1-CG 3.26Å; A158-R180 CarbonylContact O-C 3.58Å; C178-R180 VanDerWaalsContact C-N 3.32Å; C178-R180 PolarHBondContact O-N 3.43Å; R180-K182 WeakPolarHBondContact O-CG 3.27Å; R180-K182 PolarHBondContact O-N 3.06Å
181L98.5Very high98Very high1 Ų138.7 Ų38.71%0.00519%0.194CC..  trans-66.1119.3-171.3-172.463.7000111.1A158 I161 I175 C178 V183 Q205 V206A158-L181 WeakPolarHBondContact O-CA 3.08Å; A158-L181 PolarHBondContact O-N 2.76Å; A158-L181 VanDerWaalsContact O-N 3.11Å; I161-L181 HydrophobicContact CB-CD1 4.26Å; I161-L181 HydrophobicContact CD1-CD1 3.57Å; I161-L181 HydrophobicContact CD1-CD2 4.1Å; I161-L181 HydrophobicContact CD1-CG 4.47Å; I161-L181 HydrophobicContact CG1-CD1 3.64Å; I175-L181 HydrophobicContact CD1-CD2 4.34Å; I175-L181 HydrophobicContact CG1-CD2 4Å; C178-L181 HydrophobicContact CB-CB 3.56Å; C178-L181 HydrophobicContact CB-CD2 4.19Å; L181-V183 WeakPolarHBondContact CD1-O 3.22Å; L181-Q205 CarbonylContact O-C 3.51Å; L181-V206 HydrophobicContact CB-CG2 4.29Å; L181-V206 HydrophobicContact CD2-CG2 3.91Å; L181-V206 HydrophobicContact CG-CG2 3.89Å
182K98.2Very high98Very high74 Ų7445.4 Ų45.432%0.32222%0.218SC..  trans-114.7-32.2178-59-50.6-177.4-171.30112.6I159 R180 Q205 V206 S207 L208I159-K182 HydrophobicContact CG2-CB 4.24Å; I159-K182 HydrophobicContact CG2-CG 4.19Å; I159-K182 PolarHBondContact O-N 3.47Å; R180-K182 WeakPolarHBondContact O-CG 3.27Å; R180-K182 PolarHBondContact O-N 3.06Å; K182-Q205 WeakPolarHBondContact CD-O 3.16Å; K182-V206 WeakPolarHBondContact O-CG1 3.32Å; K182-S207 PolarHBondContact O-N 3.22Å; K182-S207 PolarHBondContact O-OG 2.76Å; K182-L208 PolarHBondContact O-N 2.94Å
183V98.6Very high97.8Very high20 Ų2047 Ų4712%0.12123%0.226CC..EExtended strand (participates in β ladder)trans-126.2124.9-176.2-178.60000109.6I159 E160 I161 L181 R185 L208I159-V183 PolarHBondContact O-N 2.81Å; I159-V183 VanDerWaalsContact O-N 3.12Å; E160-V183 WeakPolarHBondContact CA-O 3.17Å; E160-V183 HydrophobicContact CB-CB 3.94Å; E160-V183 HydrophobicContact CB-CG1 4.5Å; E160-V183 HydrophobicContact CG-CB 3.65Å; E160-V183 HydrophobicContact CG-CG1 3.66Å; I161-V183 PolarHBondContact N-O 2.87Å; L181-V183 WeakPolarHBondContact CD1-O 3.22Å; V183-R185 HydrophobicContact CG1-CG 4.21Å; V183-L208 WeakPolarHBondContact CA-O 3.24Å; V183-L208 HydrophobicContact CB-CB 4.4Å; V183-L208 HydrophobicContact CG1-CB 4.18Å; V183-L208 HydrophobicContact CG1-CD2 3.74Å; V183-L208 HydrophobicContact CG1-CG 4.05Å; V183-L208 HydrophobicContact CG2-CB 4.09Å; V183-L208 HydrophobicContact CG2-CD2 4.25Å
184L98.7Very high97.6Very high0 Ų050.2 Ų50.20%024%0.238CC..EExtended strand (participates in β ladder)trans-129.3117177.7178.262.1000109.2I161 L163 I175 L186 L200 V206 L208 I209 C210I161-L184 HydrophobicContact CB-CD1 4.34Å; L163-L184 HydrophobicContact CD1-CD1 4.36Å; I175-L184 HydrophobicContact CD1-CD1 4.17Å; I175-L184 HydrophobicContact CD1-CD2 3.48Å; I175-L184 VanDerWaalsContact CD1-CD2 3.48Å; I175-L184 HydrophobicContact CD1-CG 4.48Å; L184-L186 HydrophobicContact CD1-CD1 4.31Å; L184-L186 HydrophobicContact CD1-CD2 4.44Å; L184-L186 HydrophobicContact CD1-CG 4.16Å; L184-L186 HydrophobicContact CD2-CD1 3.63Å; L184-L186 HydrophobicContact CD2-CG 4.36Å; L184-L186 HydrophobicContact CG-CD1 3.75Å; L184-L186 HydrophobicContact CG-CG 3.94Å; L184-L200 HydrophobicContact CD2-CD1 4.36Å; L184-L200 HydrophobicContact CD2-CD2 3.76Å; L184-V206 HydrophobicContact CB-CG1 4.03Å; L184-L208 PolarHBondContact N-O 2.91Å; L184-I209 WeakPolarHBondContact O-CA 3.22Å; L184-C210 PolarHBondContact O-N 2.95Å
185R98.8Very high97.3Very high69 Ų6952.6 Ų52.626%0.2625%0.249SC..EExtended strand (participates in β ladder)trans-108.2122.7178.2-44.1178.2173.7-87.7-3.5110E160 I161 L163 N164 V183 C210E160-R185 IonicContact OE1-CZ 3.05Å; E160-R185 IonicContact OE1-NE 3.71Å; E160-R185 PolarHBondContact OE1-NE 3.06Å; E160-R185 IonicContact OE1-NH2 2.8Å; E160-R185 PolarHBondContact OE1-NH2 3.44Å; I161-R185 PolarHBondContact O-N 2.99Å; L163-R185 CarbonylContact C-O 3.45Å; L163-R185 WeakPolarHBondContact CA-O 3.49Å; L163-R185 WeakPolarHBondContact CB-O 3.49Å; L163-R185 PolarHBondContact N-O 2.92Å; N164-R185 WeakPolarHBondContact OD1-CB 3.32Å; N164-R185 PolarHBondContact OD1-O 2.88Å; V183-R185 HydrophobicContact CG1-CG 4.21Å; R185-C210 HydrophobicContact CB-CB 4.38Å
186L98.6Very high97.2Very high0 Ų053 Ų530%025%0.251CS..  trans-134.322.4-174-69.6165.7000111.2I149 L163 N164 I168 I171 L184 N189 L191 C210 V211 N214I149-L186 HydrophobicContact CD1-CD2 3.95Å; L163-L186 HydrophobicContact CB-CD2 3.96Å; L163-L186 HydrophobicContact CD1-CD2 4.15Å; N164-L186 PolarHBondContact OD1-N 3.18Å; N164-L186 VanDerWaalsContact OD1-N 3.13Å; I168-L186 HydrophobicContact CD1-CD2 3.65Å; I171-L186 HydrophobicContact CD1-CD1 3.59Å; L184-L186 HydrophobicContact CD1-CD1 4.31Å; L184-L186 HydrophobicContact CD1-CD2 4.44Å; L184-L186 HydrophobicContact CD1-CG 4.16Å; L184-L186 HydrophobicContact CD2-CD1 3.63Å; L184-L186 HydrophobicContact CD2-CG 4.36Å; L184-L186 HydrophobicContact CG-CD1 3.75Å; L184-L186 HydrophobicContact CG-CG 3.94Å; L186-N189 VanDerWaalsContact C-ND2 3.33Å; L186-N189 PolarHBondContact O-ND2 3.02Å; L186-L191 HydrophobicContact CB-CD1 4.11Å; L186-L191 HydrophobicContact CD1-CD1 4.14Å; L186-C210 CarbonylContact C-O 2.94Å; L186-C210 WeakPolarHBondContact CA-O 3.16Å; L186-C210 WeakPolarHBondContact CB-O 3.36Å; L186-C210 PolarHBondContact N-O 2.99Å; L186-V211 HydrophobicContact CB-CG1 4.14Å; L186-V211 HydrophobicContact CD1-CG1 4.39Å; L186-N214 PolarHBondContact O-ND2 2.95Å
187E98.6Very high97.1Very high50 Ų5052.5 Ų52.523%0.23425%0.247CC..  trans-64.3148.1-178.8-59.6167.294.100110.8N164 S165 N189 C210 D212N164-E187 CarbonylContact C-O 3.12Å; N164-E187 WeakPolarHBondContact CA-O 3.43Å; N164-E187 HydrophobicContact CB-CB 4.43Å; N164-E187 PolarHBondContact ND2-OE2 3.46Å; N164-E187 WeakPolarHBondContact OD1-CB 3.32Å; N164-E187 PolarHBondContact OD1-N 2.8Å; S165-E187 PolarHBondContact N-O 2.99Å; E187-N189 PolarHBondContact O-ND2 3.26Å; E187-N189 VanDerWaalsContact O-ND2 3.15Å; E187-C210 HydrophobicContact CG-CB 3.68Å; E187-C210 PolarHBondContact N-O 3.5Å; E187-D212 CarbonylContact C-O 3.43Å; E187-D212 WeakPolarHBondContact CA-O 3.36Å; E187-D212 WeakPolarHBondContact CB-O 3.43Å; E187-D212 HydrophobicContact CG-CB 4.38Å
188N98.4Very high97Very high93 Ų9348.9 Ų48.950%0.49723%0.234SC..SBendtrans53.457.2178.8-54.5-50.9000112.9S165 N166 D212 G213S165-N188 VanDerWaalsContact CA-O 3.27Å; S165-N188 WeakPolarHBondContact CA-O 3.45Å; S165-N188 PolarHBondContact N-O 3.19Å; N166-N188 PolarHBondContact N-O 2.94Å; N188-D212 PolarHBondContact N-O 3.49Å; N188-G213 WeakPolarHBondContact CA-O 3.45Å
189N98.4Very high97Very high8 Ų851.7 Ų51.74%0.04325%0.246CC..SBendtrans-122.3-169.7175.8-87.1-79.8000110.5L163 N166 K167 I168 L186 E187 L191 N214L163-N189 PolarHBondContact O-ND2 2.98Å; N166-N189 VanDerWaalsContact CA-OD1 3.31Å; N166-N189 WeakPolarHBondContact CA-OD1 3.3Å; N166-N189 WeakPolarHBondContact CB-OD1 3.46Å; N166-N189 PolarHBondContact N-OD1 2.87Å; N166-N189 PolarHBondContact O-OD1 3.45Å; K167-N189 PolarHBondContact N-OD1 3.06Å; I168-N189 HydrophobicContact CB-CB 4.22Å; I168-N189 VanDerWaalsContact CB-OD1 3.26Å; I168-N189 WeakPolarHBondContact CB-OD1 3.16Å; I168-N189 VanDerWaalsContact CG1-OD1 3.3Å; I168-N189 WeakPolarHBondContact CG1-OD1 3.26Å; I168-N189 PolarHBondContact N-OD1 2.65Å; L186-N189 VanDerWaalsContact C-ND2 3.33Å; L186-N189 PolarHBondContact O-ND2 3.02Å; E187-N189 PolarHBondContact O-ND2 3.26Å; E187-N189 VanDerWaalsContact O-ND2 3.15Å; N189-L191 HydrophobicContact CB-CG 4.42Å; N189-N214 VanDerWaalsContact CA-OD1 3.32Å; N189-N214 WeakPolarHBondContact CA-OD1 3.36Å; N189-N214 WeakPolarHBondContact CB-OD1 3.21Å; N189-N214 PolarHBondContact N-OD1 2.91Å; N189-N214 PolarHBondContact O-OD1 2.89Å
190C97.7Very high97Very high60 Ų6046.7 Ų46.741%0.40522%0.223SC..  trans-109.427-178.4-58.50000112.3I168 N214I168-C190 CarbonylContact O-C 3.1Å; I168-C190 VanDerWaalsContact O-CA 3.29Å; I168-C190 WeakPolarHBondContact O-CA 3.32Å; I168-C190 PolarHBondContact O-N 2.94Å; C190-N214 PolarHBondContact N-OD1 3.2Å
191L97.7Very high97Very high0 Ų043.5 Ų43.50%021%0.211CC..  trans-69137.4-178.5-61170.5000110.1I168 I171 L186 N189 F196 N214 S215 F216I168-L191 HydrophobicContact CB-CD2 4.5Å; I168-L191 HydrophobicContact CG2-CD2 3.8Å; I168-L191 PolarHBondContact O-N 3.26Å; I168-L191 VanDerWaalsContact O-N 3.08Å; I171-L191 HydrophobicContact CD1-CD1 3.84Å; I171-L191 HydrophobicContact CD1-CD2 3.64Å; I171-L191 HydrophobicContact CD1-CG 4.42Å; I171-L191 HydrophobicContact CG1-CD2 3.71Å; L186-L191 HydrophobicContact CB-CD1 4.11Å; L186-L191 HydrophobicContact CD1-CD1 4.14Å; N189-L191 HydrophobicContact CB-CG 4.42Å; L191-F196 HydrophobicContact CD1-CD2 4.5Å; L191-N214 HydrophobicContact CB-CB 4.06Å; L191-N214 WeakPolarHBondContact CB-OD1 3.41Å; L191-N214 VanDerWaalsContact CG-OD1 3.28Å; L191-N214 WeakPolarHBondContact CG-OD1 3.42Å; L191-N214 PolarHBondContact N-OD1 2.87Å; L191-S215 WeakPolarHBondContact O-CA 3.35Å; L191-S215 WeakPolarHBondContact O-CB 3.45Å; L191-S215 PolarHBondContact O-N 3.14Å; L191-F216 HydrophobicContact CB-CE1 3.74Å; L191-F216 WeakPolarHBondContact O-CD1 3.4Å
192R96.5Very high96.9Very high145 Ų14545.1 Ų45.155%0.54722%0.221SC..  trans-104.2148.8167.1-63.7-176.4-178.8172.50.5109.1E194 N195 F196R192-E194 VanDerWaalsContact C-N 3.27Å; R192-E194 HydrophobicContact CB-CG 4.01Å; R192-E194 WeakPolarHBondContact CD-OE1 3.34Å; R192-E194 IonicContact NH1-OE1 3.35Å; R192-E194 PolarHBondContact O-N 3.45Å; R192-N195 PolarHBondContact O-N 3.06Å; R192-N195 VanDerWaalsContact O-N 3.09Å; R192-F196 PolarHBondContact O-N 2.75Å
193L94.7Very high96.8Very high47 Ų4746.9 Ų46.925%0.24623%0.234CC..G310 helixtrans-56.8-42.9-177.2-169.173.4000112.2N195 F196 F216 D220 F221 L224L193-N195 PolarHBondContact O-N 3.21Å; L193-F196 WeakPolarHBondContact O-CB 3.12Å; L193-F196 PolarHBondContact O-N 3.21Å; L193-F196 VanDerWaalsContact O-N 3.14Å; L193-F216 HydrophobicContact CB-CB 3.95Å; L193-F216 HydrophobicContact CB-CD1 4.37Å; L193-F216 HydrophobicContact CB-CG 4.32Å; L193-F216 HydrophobicContact CD1-CB 4.33Å; L193-F216 HydrophobicContact CD1-CD2 4.4Å; L193-F216 HydrophobicContact CD1-CG 4.23Å; L193-D220 HydrophobicContact CD1-CB 4.47Å; L193-D220 HydrophobicContact CD2-CB 3.6Å; L193-F221 HydrophobicContact CD1-CB 4.25Å; L193-F221 HydrophobicContact CD1-CD2 4.26Å; L193-L224 HydrophobicContact CD1-CD1 3.77Å; L193-L224 HydrophobicContact CD1-CD2 3.9Å; L193-L224 HydrophobicContact CD1-CG 3.79Å; L193-L224 HydrophobicContact CG-CD2 3.94Å; L193-L224 HydrophobicContact CG-CG 4.39Å
194E93.5Very high96.7Very high146 Ų14646.2 Ų46.268%0.68223%0.23SC*.G310 helixtrans-61.4-24179.365.9-151.8-168.800114.5R192R192-E194 VanDerWaalsContact C-N 3.27Å; R192-E194 HydrophobicContact CB-CG 4.01Å; R192-E194 WeakPolarHBondContact CD-OE1 3.34Å; R192-E194 IonicContact NH1-OE1 3.35Å; R192-E194 PolarHBondContact O-N 3.45Å
195N90.5Very high96.5Very high74 Ų7451.2 Ų51.240%0.39625%0.254SS..G310 helixtrans-99.82-179.4-66.5-21.7000112.6R192 L193R192-N195 PolarHBondContact O-N 3.06Å; R192-N195 VanDerWaalsContact O-N 3.09Å; L193-N195 PolarHBondContact O-N 3.21Å
196F96.3Very high96.5Very high8 Ų848 Ų484%0.03524%0.242CC..SBendtrans-77.6123.1179.8-164-86.4000110.2I171 L191 R192 L193 T198 L200 L201 I209 V211 F221 L224I171-F196 HydrophobicContact CD1-CD2 4.44Å; I171-F196 HydrophobicContact CD1-CE2 4.31Å; L191-F196 HydrophobicContact CD1-CD2 4.5Å; R192-F196 PolarHBondContact O-N 2.75Å; L193-F196 WeakPolarHBondContact O-CB 3.12Å; L193-F196 PolarHBondContact O-N 3.21Å; L193-F196 VanDerWaalsContact O-N 3.14Å; F196-T198 PolarHBondContact O-N 3.06Å; F196-T198 VanDerWaalsContact O-N 3.17Å; F196-L200 HydrophobicContact CE1-CD2 4.04Å; F196-L200 HydrophobicContact CE2-CD2 4.47Å; F196-L200 HydrophobicContact CZ-CD2 3.66Å; F196-L201 HydrophobicContact CD1-CD1 4.39Å; F196-L201 HydrophobicContact CD1-CG 4.43Å; F196-L201 HydrophobicContact CE1-CD1 4.25Å; F196-L201 HydrophobicContact CE1-CD2 3.81Å; F196-L201 HydrophobicContact CE1-CG 3.9Å; F196-I209 HydrophobicContact CZ-CG2 4.16Å; F196-V211 HydrophobicContact CE2-CG1 3.87Å; F196-V211 HydrophobicContact CZ-CG1 4.49Å; F196-F221 AromaticContact CD1-CE2 3.89Å; F196-F221 HydrophobicContact CD1-CE2 3.89Å; F196-F221 HydrophobicContact CD1-CZ 4.5Å; F196-F221 AromaticContact CD2-CE2 3.8Å; F196-F221 HydrophobicContact CD2-CE2 3.8Å; F196-F221 AromaticContact CE1-CE2 3.79Å; F196-F221 HydrophobicContact CE1-CE2 3.79Å; F196-F221 AromaticContact CE1-CZ 3.96Å; F196-F221 HydrophobicContact CE1-CZ 3.96Å; F196-F221 AromaticContact CE2-CE2 3.69Å; F196-F221 HydrophobicContact CE2-CE2 3.69Å; F196-F221 HydrophobicContact CE2-CZ 4.1Å; F196-F221 AromaticContact CG-CE2 3.9Å; F196-F221 HydrophobicContact CG-CE2 3.9Å; F196-F221 AromaticContact CZ-CE2 3.67Å; F196-F221 HydrophobicContact CZ-CE2 3.67Å; F196-F221 AromaticContact CZ-CZ 3.73Å; F196-F221 HydrophobicContact CZ-CZ 3.73Å; F196-L224 HydrophobicContact CB-CD1 4.14Å; F196-L224 HydrophobicContact CD1-CD1 3.91Å; F196-L224 HydrophobicContact CG-CD1 4.18Å
197P96.3Very high96.4Very high4 Ų448.7 Ų48.73%0.02625%0.246CC..  trans-70.5114.3-173.627.3-34.9000111.3I171 N173 I175 E199 L200I171-P197 HydrophobicContact CB-CG 4Å; I171-P197 HydrophobicContact CG2-CG 3.8Å; N173-P197 HydrophobicContact CB-CB 4.48Å; N173-P197 WeakPolarHBondContact OD1-CB 3.34Å; I175-P197 HydrophobicContact CG2-CG 4.29Å; P197-E199 PolarHBondContact O-N 2.9Å; P197-L200 HydrophobicContact CB-CB 4.44Å; P197-L200 HydrophobicContact CG-CB 3.93Å; P197-L200 HydrophobicContact CG-CD2 4.28Å; P197-L200 VanDerWaalsContact O-CB 3.28Å; P197-L200 WeakPolarHBondContact O-CB 3.49Å; P197-L200 PolarHBondContact O-N 3.36Å
198T96Very high96.4Very high53 Ų5348.1 Ų48.133%0.32525%0.245SC..Hα-helixtrans-63.6-25.5179.161.90000112.9F196 L200 L201 T202 P225F196-T198 PolarHBondContact O-N 3.06Å; F196-T198 VanDerWaalsContact O-N 3.17Å; T198-L200 PolarHBondContact O-N 3.06Å; T198-L201 WeakPolarHBondContact O-CA 3.46Å; T198-L201 WeakPolarHBondContact O-CB 3.47Å; T198-L201 PolarHBondContact O-N 3.04Å; T198-T202 PolarHBondContact O-N 2.84Å; T198-T202 PolarHBondContact O-OG1 3.02Å; T198-T202 VanDerWaalsContact O-OG1 3.07Å; T198-P225 HydrophobicContact CG2-CB 4.36Å
199E97.1Very high96.4Very high61 Ų6144.2 Ų44.229%0.28522%0.224SC..Hα-helixtrans-62.2-31.4174.3-63.689.7150.200111.9N173 A176 P197 L201 T202 N203 S204N173-E199 VanDerWaalsContact ND2-CD 3.3Å; N173-E199 PolarHBondContact ND2-OE1 2.9Å; N173-E199 PolarHBondContact ND2-OE2 2.96Å; A176-E199 HydrophobicContact CB-CB 3.83Å; A176-E199 WeakPolarHBondContact CB-O 3.49Å; P197-E199 PolarHBondContact O-N 2.9Å; E199-L201 PolarHBondContact O-N 3.11Å; E199-T202 WeakPolarHBondContact CA-OG1 3.5Å; E199-T202 PolarHBondContact O-N 2.96Å; E199-N203 CarbonylContact O-C 3.38Å; E199-N203 WeakPolarHBondContact O-CA 3.29Å; E199-N203 PolarHBondContact O-N 2.99Å; E199-S204 PolarHBondContact O-N 3.02Å
200L97.2Very high96.4Very high0 Ų044.8 Ų44.80%023%0.228CC..Hα-helixtrans-65.2-29.9172.9178.659.9000111.1I175 L184 F196 P197 T198 S204 V206 I209 R233I175-L200 HydrophobicContact CG2-CB 4.21Å; I175-L200 HydrophobicContact CG2-CD1 4.13Å; I175-L200 HydrophobicContact CG2-CD2 4.29Å; I175-L200 HydrophobicContact CG2-CG 4.43Å; L184-L200 HydrophobicContact CD2-CD1 4.36Å; L184-L200 HydrophobicContact CD2-CD2 3.76Å; F196-L200 HydrophobicContact CE1-CD2 4.04Å; F196-L200 HydrophobicContact CE2-CD2 4.47Å; F196-L200 HydrophobicContact CZ-CD2 3.66Å; P197-L200 HydrophobicContact CB-CB 4.44Å; P197-L200 HydrophobicContact CG-CB 3.93Å; P197-L200 HydrophobicContact CG-CD2 4.28Å; P197-L200 VanDerWaalsContact O-CB 3.28Å; P197-L200 WeakPolarHBondContact O-CB 3.49Å; P197-L200 PolarHBondContact O-N 3.36Å; T198-L200 PolarHBondContact O-N 3.06Å; L200-S204 WeakPolarHBondContact O-CB 3.28Å; L200-S204 PolarHBondContact O-OG 2.99Å; L200-V206 HydrophobicContact CD1-CB 3.99Å; L200-V206 HydrophobicContact CD1-CG2 3.57Å; L200-I209 HydrophobicContact CD1-CD1 4.32Å; L200-I209 HydrophobicContact CD2-CD1 4.13Å; L200-I209 HydrophobicContact CG-CD1 3.85Å; L200-R233 PolarHBondContact O-NH2 2.93Å; L200-R233 VanDerWaalsContact O-NH2 3.07Å
201L97.7Very high96.3Very high0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-84.6-40.4176.4-56.1179.5000112F196 T198 E199 I209 F221 L224 Y230 R233F196-L201 HydrophobicContact CD1-CD1 4.39Å; F196-L201 HydrophobicContact CD1-CG 4.43Å; F196-L201 HydrophobicContact CE1-CD1 4.25Å; F196-L201 HydrophobicContact CE1-CD2 3.81Å; F196-L201 HydrophobicContact CE1-CG 3.9Å; T198-L201 WeakPolarHBondContact O-CA 3.46Å; T198-L201 WeakPolarHBondContact O-CB 3.47Å; T198-L201 PolarHBondContact O-N 3.04Å; E199-L201 PolarHBondContact O-N 3.11Å; L201-I209 HydrophobicContact CD2-CD1 3.95Å; L201-F221 HydrophobicContact CD2-CZ 4.42Å; L201-L224 HydrophobicContact CD1-CB 3.68Å; L201-L224 HydrophobicContact CD1-CD1 4.04Å; L201-Y230 HydrophobicContact CD2-CD1 4.41Å; L201-Y230 HydrophobicContact CD2-CG 4.15Å; L201-Y230 PolarHBondContact O-N 2.94Å; L201-R233 VanDerWaalsContact O-CZ 3.31Å; L201-R233 PolarHBondContact O-NH1 3.21Å; L201-R233 PolarHBondContact O-NH2 3.44Å
202T96.6Very high96.3Very high36 Ų3645.8 Ų45.822%0.22123%0.229CC..Hα-helixtrans-90-43.1-172.354.70000114.6T198 E199 G226 K229T198-T202 PolarHBondContact O-N 2.84Å; T198-T202 PolarHBondContact O-OG1 3.02Å; T198-T202 VanDerWaalsContact O-OG1 3.07Å; E199-T202 WeakPolarHBondContact CA-OG1 3.5Å; E199-T202 PolarHBondContact O-N 2.96Å; T202-G226 VanDerWaalsContact CG2-CA 3.48Å; T202-K229 HydrophobicContact CG2-CD 4.49Å
203N95.2Very high96.3Very high111 Ų11141.3 Ų41.359%0.59423%0.228SC*.SBendtrans-126.627.6-161.4-62.3-26.4000112.4E199E199-N203 CarbonylContact O-C 3.38Å; E199-N203 WeakPolarHBondContact O-CA 3.29Å; E199-N203 PolarHBondContact O-N 2.99Å
204S96.4Very high96.4Very high5 Ų539.9 Ų39.94%0.03522%0.221CC..  trans-117.7167.3178.587.60000112.6E199 L200 V206 R233E199-S204 PolarHBondContact O-N 3.02Å; L200-S204 WeakPolarHBondContact O-CB 3.28Å; L200-S204 PolarHBondContact O-OG 2.99Å; S204-V206 PolarHBondContact OG-N 3.05Å; S204-R233 WeakPolarHBondContact O-CD 3.26Å; S204-R233 PolarHBondContact O-NE 2.93Å; S204-R233 PolarHBondContact OG-NH2 3.36Å
205Q94.8Very high96.5Very high106 Ų10636.9 Ų36.950%0.49522%0.216SC..  trans-941.5173.2-63.3-58.1-43.300113.4L181 K182 S207L181-Q205 CarbonylContact O-C 3.51Å; K182-Q205 WeakPolarHBondContact CD-O 3.16Å; Q205-S207 PolarHBondContact O-N 2.81Å
206V98Very high96.7Very high2 Ų234.8 Ų34.81%0.01220%0.203CC..  trans-71.9122.7-176.9-172.30000109.2L181 K182 L184 L200 S204 L208 I209 R233L181-V206 HydrophobicContact CB-CG2 4.29Å; L181-V206 HydrophobicContact CD2-CG2 3.91Å; L181-V206 HydrophobicContact CG-CG2 3.89Å; K182-V206 WeakPolarHBondContact O-CG1 3.32Å; L184-V206 HydrophobicContact CB-CG1 4.03Å; L200-V206 HydrophobicContact CD1-CB 3.99Å; L200-V206 HydrophobicContact CD1-CG2 3.57Å; S204-V206 PolarHBondContact OG-N 3.05Å; V206-L208 WeakPolarHBondContact CG1-O 3.36Å; V206-I209 HydrophobicContact CB-CG1 4.38Å; V206-I209 HydrophobicContact CG1-CD1 4.26Å; V206-I209 HydrophobicContact CG1-CG1 3.56Å; V206-R233 PolarHBondContact O-NE 2.96Å; V206-R233 PolarHBondContact O-NH2 2.75Å
207S97.3Very high96.5Very high14 Ų1438.3 Ų38.310%0.09822%0.223CC..  trans-108.4-11.8-177.757.60000113.1K182 Q205 F234K182-S207 PolarHBondContact O-N 3.22Å; K182-S207 PolarHBondContact O-OG 2.76Å; Q205-S207 PolarHBondContact O-N 2.81Å; S207-F234 WeakPolarHBondContact O-CA 3.5Å; S207-F234 VanDerWaalsContact O-CB 3.26Å; S207-F234 WeakPolarHBondContact O-CB 3.42Å; S207-F234 VanDerWaalsContact O-CD2 3.26Å; S207-F234 WeakPolarHBondContact O-CD2 3.4Å
208L97.9Very high96.5Very high37 Ų3740.2 Ų40.219%0.19423%0.232CC..EExtended strand (participates in β ladder)trans-136116.1173.4177.160000109K182 V183 L184 V206 F234 M237K182-L208 PolarHBondContact O-N 2.94Å; V183-L208 WeakPolarHBondContact CA-O 3.24Å; V183-L208 HydrophobicContact CB-CB 4.4Å; V183-L208 HydrophobicContact CG1-CB 4.18Å; V183-L208 HydrophobicContact CG1-CD2 3.74Å; V183-L208 HydrophobicContact CG1-CG 4.05Å; V183-L208 HydrophobicContact CG2-CB 4.09Å; V183-L208 HydrophobicContact CG2-CD2 4.25Å; L184-L208 PolarHBondContact N-O 2.91Å; V206-L208 WeakPolarHBondContact CG1-O 3.36Å; L208-F234 HydrophobicContact CD1-CD2 4.07Å; L208-F234 HydrophobicContact CD1-CE2 3.7Å; L208-M237 HydrophobicContact CB-CE 4.19Å
209I98Very high96.4Very high12 Ų1245.4 Ų45.46%0.06225%0.25CS..EExtended strand (participates in β ladder)trans-119.9116.4174.7-61.7171.3000107.2L184 F196 L200 L201 V206 V211 F221 Y230L184-I209 WeakPolarHBondContact O-CA 3.22Å; F196-I209 HydrophobicContact CZ-CG2 4.16Å; L200-I209 HydrophobicContact CD1-CD1 4.32Å; L200-I209 HydrophobicContact CD2-CD1 4.13Å; L200-I209 HydrophobicContact CG-CD1 3.85Å; L201-I209 HydrophobicContact CD2-CD1 3.95Å; V206-I209 HydrophobicContact CB-CG1 4.38Å; V206-I209 HydrophobicContact CG1-CD1 4.26Å; V206-I209 HydrophobicContact CG1-CG1 3.56Å; I209-V211 HydrophobicContact CG2-CG1 3.58Å; I209-F221 HydrophobicContact CG2-CZ 4.46Å; I209-Y230 HydrophobicContact CB-CE2 3.98Å; I209-Y230 HydrophobicContact CD1-CD2 3.74Å; I209-Y230 HydrophobicContact CD1-CE2 3.74Å; I209-Y230 HydrophobicContact CD1-CG 4.32Å; I209-Y230 HydrophobicContact CG1-CD2 4.2Å; I209-Y230 HydrophobicContact CG1-CE2 3.69Å; I209-Y230 PolarHBondContact N-OH 2.88Å; I209-Y230 PolarHBondContact O-OH 3.13Å
210C98Very high96.3Very high20 Ų2045.9 Ų45.914%0.13526%0.255CS..EExtended strand (participates in β ladder)trans-104.6118.3174.3-560000108.5L184 R185 L186 E187L184-C210 PolarHBondContact O-N 2.95Å; R185-C210 HydrophobicContact CB-CB 4.38Å; L186-C210 CarbonylContact C-O 2.94Å; L186-C210 WeakPolarHBondContact CA-O 3.16Å; L186-C210 WeakPolarHBondContact CB-O 3.36Å; L186-C210 PolarHBondContact N-O 2.99Å; E187-C210 HydrophobicContact CG-CB 3.68Å; E187-C210 PolarHBondContact N-O 3.5Å
211V97.6Very high96.3Very high2 Ų246 Ų461%0.01226%0.255CS..  trans-133.612-173.6-72.60000113.1L186 F196 I209 N214 F216 M218 F221L186-V211 HydrophobicContact CB-CG1 4.14Å; L186-V211 HydrophobicContact CD1-CG1 4.39Å; F196-V211 HydrophobicContact CE2-CG1 3.87Å; F196-V211 HydrophobicContact CZ-CG1 4.49Å; I209-V211 HydrophobicContact CG2-CG1 3.58Å; V211-N214 PolarHBondContact O-ND2 3.41Å; V211-F216 HydrophobicContact CB-CE2 4.36Å; V211-F216 HydrophobicContact CB-CZ 4.02Å; V211-F216 HydrophobicContact CG2-CE2 4.16Å; V211-F216 HydrophobicContact CG2-CZ 4.24Å; V211-M218 HydrophobicContact CG2-CE 3.99Å; V211-M218 HydrophobicContact CG2-SD 3.99Å; V211-F221 HydrophobicContact CG1-CZ 4.4Å; V211-F221 HydrophobicContact CG2-CD1 4.05Å; V211-F221 HydrophobicContact CG2-CD2 4.27Å; V211-F221 HydrophobicContact CG2-CE1 3.76Å; V211-F221 HydrophobicContact CG2-CE2 4.02Å; V211-F221 HydrophobicContact CG2-CG 4.29Å; V211-F221 HydrophobicContact CG2-CZ 3.76Å
212D96.8Very high96.1Very high78 Ų7851.3 Ų51.342%0.41728%0.276SS..THydrogen-bonded Turntrans-60.2146.2179.5-65.9-57.1000111.6E187 N188E187-D212 CarbonylContact C-O 3.43Å; E187-D212 WeakPolarHBondContact CA-O 3.36Å; E187-D212 WeakPolarHBondContact CB-O 3.43Å; E187-D212 HydrophobicContact CG-CB 4.38Å; N188-D212 PolarHBondContact N-O 3.49Å
213G96.2Very high96.1Very high51 Ų5155.7 Ų55.753%0.52630%0.298SS..THydrogen-bonded Turntrans77.119-17900000115.4N188N188-G213 WeakPolarHBondContact CA-O 3.45Å
214N97.4Very high96.2Very high18 Ų1851.5 Ų51.510%0.09628%0.275CS..SBendtrans-91.6177168.7-79.7-80.3000112.6L186 N189 C190 L191 V211 F216L186-N214 PolarHBondContact O-ND2 2.95Å; N189-N214 VanDerWaalsContact CA-OD1 3.32Å; N189-N214 WeakPolarHBondContact CA-OD1 3.36Å; N189-N214 WeakPolarHBondContact CB-OD1 3.21Å; N189-N214 PolarHBondContact N-OD1 2.91Å; N189-N214 PolarHBondContact O-OD1 2.89Å; C190-N214 PolarHBondContact N-OD1 3.2Å; L191-N214 HydrophobicContact CB-CB 4.06Å; L191-N214 WeakPolarHBondContact CB-OD1 3.41Å; L191-N214 VanDerWaalsContact CG-OD1 3.28Å; L191-N214 WeakPolarHBondContact CG-OD1 3.42Å; L191-N214 PolarHBondContact N-OD1 2.87Å; V211-N214 PolarHBondContact O-ND2 3.41Å; N214-F216 HydrophobicContact CB-CD1 4Å; N214-F216 HydrophobicContact CB-CE1 3.52Å; N214-F216 HydrophobicContact CB-CE2 4.32Å; N214-F216 HydrophobicContact CB-CZ 3.7Å; N214-F216 PolarHBondContact O-N 3.33Å
215S95Very high96.2Very high82 Ų8255.5 Ų55.557%0.57330%0.301SS*.SBendtrans-82.246.1-177.4-580000113L191L191-S215 WeakPolarHBondContact O-CA 3.35Å; L191-S215 WeakPolarHBondContact O-CB 3.45Å; L191-S215 PolarHBondContact O-N 3.14Å
216F94.8Very high96.2Very high30 Ų3051.2 Ų51.213%0.13229%0.285CS..SBendtrans-154.1155.4172.350-101000110L191 L193 V211 N214 M218 F221L191-F216 HydrophobicContact CB-CE1 3.74Å; L191-F216 WeakPolarHBondContact O-CD1 3.4Å; L193-F216 HydrophobicContact CB-CB 3.95Å; L193-F216 HydrophobicContact CB-CD1 4.37Å; L193-F216 HydrophobicContact CB-CG 4.32Å; L193-F216 HydrophobicContact CD1-CB 4.33Å; L193-F216 HydrophobicContact CD1-CD2 4.4Å; L193-F216 HydrophobicContact CD1-CG 4.23Å; V211-F216 HydrophobicContact CB-CE2 4.36Å; V211-F216 HydrophobicContact CB-CZ 4.02Å; V211-F216 HydrophobicContact CG2-CE2 4.16Å; V211-F216 HydrophobicContact CG2-CZ 4.24Å; N214-F216 HydrophobicContact CB-CD1 4Å; N214-F216 HydrophobicContact CB-CE1 3.52Å; N214-F216 HydrophobicContact CB-CE2 4.32Å; N214-F216 HydrophobicContact CB-CZ 3.7Å; N214-F216 PolarHBondContact O-N 3.33Å; F216-M218 HydrophobicContact CE2-SD 4.24Å; F216-F221 HydrophobicContact CD2-CB 4.05Å; F216-F221 HydrophobicContact CD2-CD2 4.32Å; F216-F221 HydrophobicContact CE2-CB 3.94Å; F216-F221 AromaticContact CE2-CD2 3.61Å; F216-F221 HydrophobicContact CE2-CD2 3.61Å; F216-F221 HydrophobicContact CE2-CE2 4.41Å; F216-F221 AromaticContact CE2-CG 3.96Å; F216-F221 HydrophobicContact CE2-CG 3.96Å; F216-F221 AromaticContact CZ-CD2 3.89Å; F216-F221 HydrophobicContact CZ-CD2 3.89Å; F216-F221 HydrophobicContact CZ-CE2 4.33Å
217N93Very high96.2Very high82 Ų8253.1 Ų53.144%0.43929%0.293SS..  trans-81150.9171.273.660.4000110K219 D220 F221N217-K219 VanDerWaalsContact C-N 3.28Å; N217-K219 PolarHBondContact O-N 3Å; N217-K219 WeakPolarHBondContact OD1-CB 3.2Å; N217-K219 PolarHBondContact OD1-N 2.83Å; N217-K219 VanDerWaalsContact OD1-N 3.11Å; N217-D220 VanDerWaalsContact CG-OD2 3.27Å; N217-D220 VanDerWaalsContact ND2-CG 3.34Å; N217-D220 PolarHBondContact ND2-OD2 3.12Å; N217-D220 PolarHBondContact O-N 3.43Å; N217-D220 WeakPolarHBondContact OD1-CB 3.39Å; N217-D220 PolarHBondContact OD1-N 2.95Å; N217-D220 PolarHBondContact OD1-OD2 2.9Å; N217-F221 PolarHBondContact O-N 2.98Å
218M94.9Very high96.1Very high45 Ų4556.2 Ų56.222%0.22231%0.314CS..Hα-helixtrans-69.6-24.7-177.5-71.7-59.1-75.800113.5V211 F216 D220 F221 Y222V211-M218 HydrophobicContact CG2-CE 3.99Å; V211-M218 HydrophobicContact CG2-SD 3.99Å; F216-M218 HydrophobicContact CE2-SD 4.24Å; M218-D220 VanDerWaalsContact C-N 3.33Å; M218-D220 PolarHBondContact O-N 3.03Å; M218-F221 HydrophobicContact CE-CD1 4.21Å; M218-F221 WeakPolarHBondContact O-CB 3.44Å; M218-F221 PolarHBondContact O-N 3.17Å; M218-F221 HydrophobicContact SD-CB 4.36Å; M218-Y222 HydrophobicContact CB-CE1 4.34Å; M218-Y222 HydrophobicContact CB-CE2 4.09Å; M218-Y222 HydrophobicContact CE-CE1 3.65Å; M218-Y222 VanDerWaalsContact O-CD1 3.31Å; M218-Y222 WeakPolarHBondContact O-CD1 3Å; M218-Y222 WeakPolarHBondContact O-CD2 3.32Å; M218-Y222 WeakPolarHBondContact O-CE2 3.44Å; M218-Y222 PolarHBondContact O-N 2.79Å
219K94.5Very high96.1Very high162 Ų16259.4 Ų59.470%0.70433%0.327SS*.Hα-helixtrans-63.4-42.3177.4-67.2-177.7179.4178.60111.1N217 Y222 N223N217-K219 VanDerWaalsContact C-N 3.28Å; N217-K219 PolarHBondContact O-N 3Å; N217-K219 WeakPolarHBondContact OD1-CB 3.2Å; N217-K219 PolarHBondContact OD1-N 2.83Å; N217-K219 VanDerWaalsContact OD1-N 3.11Å; K219-Y222 PolarHBondContact O-N 3.39Å; K219-N223 PolarHBondContact O-N 3.15Å; K219-N223 PolarHBondContact O-ND2 3Å; K219-N223 VanDerWaalsContact O-ND2 3.15Å
220D95.4Very high96.1Very high71 Ų7159.3 Ų59.338%0.3833%0.325SS..Hα-helixtrans-70.5-36.1177.3-61.7-22.1000111.2L193 N217 M218 Y222 N223 L224L193-D220 HydrophobicContact CD1-CB 4.47Å; L193-D220 HydrophobicContact CD2-CB 3.6Å; N217-D220 VanDerWaalsContact CG-OD2 3.27Å; N217-D220 VanDerWaalsContact ND2-CG 3.34Å; N217-D220 PolarHBondContact ND2-OD2 3.12Å; N217-D220 PolarHBondContact O-N 3.43Å; N217-D220 WeakPolarHBondContact OD1-CB 3.39Å; N217-D220 PolarHBondContact OD1-N 2.95Å; N217-D220 PolarHBondContact OD1-OD2 2.9Å; M218-D220 VanDerWaalsContact C-N 3.33Å; M218-D220 PolarHBondContact O-N 3.03Å; D220-Y222 VanDerWaalsContact C-N 3.3Å; D220-Y222 PolarHBondContact O-N 2.9Å; D220-N223 WeakPolarHBondContact O-CB 3.46Å; D220-N223 PolarHBondContact O-N 2.95Å; D220-L224 PolarHBondContact O-N 3.24Å
221F95.8Very high96.1Very high3 Ų361.5 Ų61.51%0.01334%0.335CS..Hα-helixtrans-58.8-41.8172.6-172.5-99.2000112.2L193 F196 L201 I209 V211 F216 N217 M218 N223 L224 Y227L193-F221 HydrophobicContact CD1-CB 4.25Å; L193-F221 HydrophobicContact CD1-CD2 4.26Å; F196-F221 AromaticContact CD1-CE2 3.89Å; F196-F221 HydrophobicContact CD1-CE2 3.89Å; F196-F221 HydrophobicContact CD1-CZ 4.5Å; F196-F221 AromaticContact CD2-CE2 3.8Å; F196-F221 HydrophobicContact CD2-CE2 3.8Å; F196-F221 AromaticContact CE1-CE2 3.79Å; F196-F221 HydrophobicContact CE1-CE2 3.79Å; F196-F221 AromaticContact CE1-CZ 3.96Å; F196-F221 HydrophobicContact CE1-CZ 3.96Å; F196-F221 AromaticContact CE2-CE2 3.69Å; F196-F221 HydrophobicContact CE2-CE2 3.69Å; F196-F221 HydrophobicContact CE2-CZ 4.1Å; F196-F221 AromaticContact CG-CE2 3.9Å; F196-F221 HydrophobicContact CG-CE2 3.9Å; F196-F221 AromaticContact CZ-CE2 3.67Å; F196-F221 HydrophobicContact CZ-CE2 3.67Å; F196-F221 AromaticContact CZ-CZ 3.73Å; F196-F221 HydrophobicContact CZ-CZ 3.73Å; L201-F221 HydrophobicContact CD2-CZ 4.42Å; I209-F221 HydrophobicContact CG2-CZ 4.46Å; V211-F221 HydrophobicContact CG1-CZ 4.4Å; V211-F221 HydrophobicContact CG2-CD1 4.05Å; V211-F221 HydrophobicContact CG2-CD2 4.27Å; V211-F221 HydrophobicContact CG2-CE1 3.76Å; V211-F221 HydrophobicContact CG2-CE2 4.02Å; V211-F221 HydrophobicContact CG2-CG 4.29Å; V211-F221 HydrophobicContact CG2-CZ 3.76Å; F216-F221 HydrophobicContact CD2-CB 4.05Å; F216-F221 HydrophobicContact CD2-CD2 4.32Å; F216-F221 HydrophobicContact CE2-CB 3.94Å; F216-F221 AromaticContact CE2-CD2 3.61Å; F216-F221 HydrophobicContact CE2-CD2 3.61Å; F216-F221 HydrophobicContact CE2-CE2 4.41Å; F216-F221 AromaticContact CE2-CG 3.96Å; F216-F221 HydrophobicContact CE2-CG 3.96Å; F216-F221 AromaticContact CZ-CD2 3.89Å; F216-F221 HydrophobicContact CZ-CD2 3.89Å; F216-F221 HydrophobicContact CZ-CE2 4.33Å; N217-F221 PolarHBondContact O-N 2.98Å; M218-F221 HydrophobicContact CE-CD1 4.21Å; M218-F221 WeakPolarHBondContact O-CB 3.44Å; M218-F221 PolarHBondContact O-N 3.17Å; M218-F221 HydrophobicContact SD-CB 4.36Å; F221-N223 PolarHBondContact O-N 2.73Å; F221-L224 HydrophobicContact CD2-CD1 3.54Å; F221-L224 HydrophobicContact CE2-CD1 3.72Å; F221-L224 HydrophobicContact CG-CD1 4.31Å; F221-L224 WeakPolarHBondContact O-CB 3.48Å; F221-L224 WeakPolarHBondContact O-CG 3.33Å; F221-L224 PolarHBondContact O-N 3.1Å; F221-L224 VanDerWaalsContact O-N 3.13Å; F221-Y227 HydrophobicContact CD1-CD2 4.17Å; F221-Y227 AromaticContact CD1-CE2 3.85Å; F221-Y227 HydrophobicContact CD1-CE2 3.85Å; F221-Y227 HydrophobicContact CE1-CD2 4.01Å; F221-Y227 AromaticContact CE1-CE2 3.7Å; F221-Y227 HydrophobicContact CE1-CE2 3.7Å
222Y95.3Very high96Very high111 Ų11167.8 Ų67.844%0.43536%0.364SS..Hα-helixtrans-65.5-22.2176.4-55.3-28.3000113.4M218 K219 D220 Y227M218-Y222 HydrophobicContact CB-CE1 4.34Å; M218-Y222 HydrophobicContact CB-CE2 4.09Å; M218-Y222 HydrophobicContact CE-CE1 3.65Å; M218-Y222 VanDerWaalsContact O-CD1 3.31Å; M218-Y222 WeakPolarHBondContact O-CD1 3Å; M218-Y222 WeakPolarHBondContact O-CD2 3.32Å; M218-Y222 WeakPolarHBondContact O-CE2 3.44Å; M218-Y222 PolarHBondContact O-N 2.79Å; K219-Y222 PolarHBondContact O-N 3.39Å; D220-Y222 VanDerWaalsContact C-N 3.3Å; D220-Y222 PolarHBondContact O-N 2.9Å; Y222-Y227 AromaticContact CD1-CE1 3.88Å; Y222-Y227 HydrophobicContact CD1-CE1 3.88Å; Y222-Y227 AromaticContact CD1-CE2 3.74Å; Y222-Y227 HydrophobicContact CD1-CE2 3.74Å; Y222-Y227 AromaticContact CD1-CZ 3.34Å; Y222-Y227 WeakPolarHBondContact CD1-OH 3.26Å; Y222-Y227 HydrophobicContact CE1-CE2 4.39Å; Y222-Y227 AromaticContact CE1-CZ 3.96Å; Y222-Y227 WeakPolarHBondContact CE1-OH 3.3Å; Y222-Y227 HydrophobicContact CG-CE1 4.29Å; Y222-Y227 WeakPolarHBondContact O-CB 3.4Å; Y222-Y227 VanDerWaalsContact O-CD1 3.3Å; Y222-Y227 WeakPolarHBondContact O-CD1 3.41Å
223N96.2Very high96Very high127 Ų12766.3 Ų66.368%0.67935%0.353SS*.THydrogen-bonded Turntrans-89-1.1177.5-65.5-32.3000113.1K219 D220 F221K219-N223 PolarHBondContact O-N 3.15Å; K219-N223 PolarHBondContact O-ND2 3Å; K219-N223 VanDerWaalsContact O-ND2 3.15Å; D220-N223 WeakPolarHBondContact O-CB 3.46Å; D220-N223 PolarHBondContact O-N 2.95Å; F221-N223 PolarHBondContact O-N 2.73Å
224L96.6Very high96.1Very high24 Ų2465.6 Ų65.613%0.12634%0.335CS..SBendtrans-61.3142.1178.2-78.8175.8000111.9L193 F196 L201 D220 F221 G226 Y227L193-L224 HydrophobicContact CD1-CD1 3.77Å; L193-L224 HydrophobicContact CD1-CD2 3.9Å; L193-L224 HydrophobicContact CD1-CG 3.79Å; L193-L224 HydrophobicContact CG-CD2 3.94Å; L193-L224 HydrophobicContact CG-CG 4.39Å; F196-L224 HydrophobicContact CB-CD1 4.14Å; F196-L224 HydrophobicContact CD1-CD1 3.91Å; F196-L224 HydrophobicContact CG-CD1 4.18Å; L201-L224 HydrophobicContact CD1-CB 3.68Å; L201-L224 HydrophobicContact CD1-CD1 4.04Å; D220-L224 PolarHBondContact O-N 3.24Å; F221-L224 HydrophobicContact CD2-CD1 3.54Å; F221-L224 HydrophobicContact CE2-CD1 3.72Å; F221-L224 HydrophobicContact CG-CD1 4.31Å; F221-L224 WeakPolarHBondContact O-CB 3.48Å; F221-L224 WeakPolarHBondContact O-CG 3.33Å; F221-L224 PolarHBondContact O-N 3.1Å; F221-L224 VanDerWaalsContact O-N 3.13Å; L224-G226 PolarHBondContact O-N 3.05Å; L224-Y227 VanDerWaalsContact O-CB 3.28Å; L224-Y227 WeakPolarHBondContact O-CB 3.44Å; L224-Y227 PolarHBondContact O-N 3.05Å
225P96.2Very high96Very high88 Ų8867.3 Ų67.357%0.57135%0.346SS*.THydrogen-bonded Turntrans-53.8126.8172.5-25.734.6000111.8T198T198-P225 HydrophobicContact CG2-CB 4.36Å
226G95.7Very high96Very high16 Ų1665.8 Ų65.817%0.16534%0.338CS..THydrogen-bonded Turntrans88-3.9-179.800000115.9T202 L224 S228 K229 Y230T202-G226 VanDerWaalsContact CG2-CA 3.48Å; L224-G226 PolarHBondContact O-N 3.05Å; G226-S228 PolarHBondContact O-N 3.02Å; G226-K229 WeakPolarHBondContact O-CB 3.41Å; G226-K229 PolarHBondContact O-N 2.77Å; G226-Y230 PolarHBondContact O-N 3.33Å
227Y97Very high95.9Very high42 Ų4267.1 Ų67.117%0.16535%0.346CS..Hα-helixtrans-56.3-37.4178.5-175.8-96000112.6F221 Y222 L224 K229 Y230 M231F221-Y227 HydrophobicContact CD1-CD2 4.17Å; F221-Y227 AromaticContact CD1-CE2 3.85Å; F221-Y227 HydrophobicContact CD1-CE2 3.85Å; F221-Y227 HydrophobicContact CE1-CD2 4.01Å; F221-Y227 AromaticContact CE1-CE2 3.7Å; F221-Y227 HydrophobicContact CE1-CE2 3.7Å; Y222-Y227 AromaticContact CD1-CE1 3.88Å; Y222-Y227 HydrophobicContact CD1-CE1 3.88Å; Y222-Y227 AromaticContact CD1-CE2 3.74Å; Y222-Y227 HydrophobicContact CD1-CE2 3.74Å; Y222-Y227 AromaticContact CD1-CZ 3.34Å; Y222-Y227 WeakPolarHBondContact CD1-OH 3.26Å; Y222-Y227 HydrophobicContact CE1-CE2 4.39Å; Y222-Y227 AromaticContact CE1-CZ 3.96Å; Y222-Y227 WeakPolarHBondContact CE1-OH 3.3Å; Y222-Y227 HydrophobicContact CG-CE1 4.29Å; Y222-Y227 WeakPolarHBondContact O-CB 3.4Å; Y222-Y227 VanDerWaalsContact O-CD1 3.3Å; Y222-Y227 WeakPolarHBondContact O-CD1 3.41Å; L224-Y227 VanDerWaalsContact O-CB 3.28Å; L224-Y227 WeakPolarHBondContact O-CB 3.44Å; L224-Y227 PolarHBondContact O-N 3.05Å; Y227-K229 PolarHBondContact O-N 3.14Å; Y227-Y230 AromaticContact CD2-CD1 3.94Å; Y227-Y230 HydrophobicContact CD2-CD1 3.94Å; Y227-Y230 AromaticContact CE2-CD1 3.69Å; Y227-Y230 HydrophobicContact CE2-CD1 3.69Å; Y227-Y230 AromaticContact CE2-CE1 3.86Å; Y227-Y230 HydrophobicContact CE2-CE1 3.86Å; Y227-Y230 WeakPolarHBondContact O-CB 3.18Å; Y227-Y230 PolarHBondContact O-N 2.8Å; Y227-M231 HydrophobicContact CE1-CB 4.47Å; Y227-M231 WeakPolarHBondContact O-CB 3.4Å; Y227-M231 PolarHBondContact O-N 3.12Å
228S96.7Very high95.7Very high79 Ų7969 Ų6955%0.55235%0.35SS*.Hα-helixtrans-58.5-43.6175.154.90000113G226 Y230 M231 E232G226-S228 PolarHBondContact O-N 3.02Å; S228-Y230 VanDerWaalsContact C-N 3.34Å; S228-Y230 PolarHBondContact O-N 3.29Å; S228-M231 WeakPolarHBondContact O-CB 3.49Å; S228-M231 PolarHBondContact O-N 3.04Å; S228-M231 VanDerWaalsContact O-N 3.12Å; S228-E232 PolarHBondContact O-N 2.91Å
229K97.4Very high95.5Very high105 Ų10574.5 Ų74.546%0.45737%0.373SS..Hα-helixtrans-63.4-39.8175.6-68.5-173.4174.5-175.30111.9T202 G226 Y227 M231 R233T202-K229 HydrophobicContact CG2-CD 4.49Å; G226-K229 WeakPolarHBondContact O-CB 3.41Å; G226-K229 PolarHBondContact O-N 2.77Å; Y227-K229 PolarHBondContact O-N 3.14Å; K229-M231 VanDerWaalsContact C-N 3.34Å; K229-R233 PolarHBondContact O-N 3Å; K229-R233 PolarHBondContact O-NH1 2.8Å
230Y97.7Very high95Very high9 Ų975.7 Ų75.74%0.03538%0.378CS..Hα-helixtrans-61.3-44.4171.4159.1-108.2000111.3L201 I209 G226 Y227 S228 E232 R233 F234L201-Y230 HydrophobicContact CD2-CD1 4.41Å; L201-Y230 HydrophobicContact CD2-CG 4.15Å; L201-Y230 PolarHBondContact O-N 2.94Å; I209-Y230 HydrophobicContact CB-CE2 3.98Å; I209-Y230 HydrophobicContact CD1-CD2 3.74Å; I209-Y230 HydrophobicContact CD1-CE2 3.74Å; I209-Y230 HydrophobicContact CD1-CG 4.32Å; I209-Y230 HydrophobicContact CG1-CD2 4.2Å; I209-Y230 HydrophobicContact CG1-CE2 3.69Å; I209-Y230 PolarHBondContact N-OH 2.88Å; I209-Y230 PolarHBondContact O-OH 3.13Å; G226-Y230 PolarHBondContact O-N 3.33Å; Y227-Y230 AromaticContact CD2-CD1 3.94Å; Y227-Y230 HydrophobicContact CD2-CD1 3.94Å; Y227-Y230 AromaticContact CE2-CD1 3.69Å; Y227-Y230 HydrophobicContact CE2-CD1 3.69Å; Y227-Y230 AromaticContact CE2-CE1 3.86Å; Y227-Y230 HydrophobicContact CE2-CE1 3.86Å; Y227-Y230 WeakPolarHBondContact O-CB 3.18Å; Y227-Y230 PolarHBondContact O-N 2.8Å; S228-Y230 VanDerWaalsContact C-N 3.34Å; S228-Y230 PolarHBondContact O-N 3.29Å; Y230-E232 VanDerWaalsContact C-N 3.29Å; Y230-E232 PolarHBondContact O-N 3.44Å; Y230-R233 WeakPolarHBondContact O-CA 3.46Å; Y230-R233 WeakPolarHBondContact O-CB 3.32Å; Y230-R233 PolarHBondContact O-N 2.89Å; Y230-F234 HydrophobicContact CE2-CB 4.3Å; Y230-F234 PolarHBondContact O-N 2.81Å
231M97.1Very high94.1Very high67 Ų6776.4 Ų76.433%0.3339%0.394SS..Hα-helixtrans-63.7-34.2-178.1-165.661.3-156.300112.7Y227 S228 K229 F234 T235Y227-M231 HydrophobicContact CE1-CB 4.47Å; Y227-M231 WeakPolarHBondContact O-CB 3.4Å; Y227-M231 PolarHBondContact O-N 3.12Å; S228-M231 WeakPolarHBondContact O-CB 3.49Å; S228-M231 PolarHBondContact O-N 3.04Å; S228-M231 VanDerWaalsContact O-N 3.12Å; K229-M231 VanDerWaalsContact C-N 3.34Å; M231-F234 HydrophobicContact CE-CD1 3.45Å; M231-F234 VanDerWaalsContact CE-CD1 3.45Å; M231-F234 HydrophobicContact CE-CE1 3.77Å; M231-F234 PolarHBondContact O-N 3.01Å; M231-F234 HydrophobicContact SD-CD1 3.89Å; M231-F234 HydrophobicContact SD-CG 4.49Å; M231-T235 WeakPolarHBondContact O-CB 3.26Å; M231-T235 PolarHBondContact O-N 3.12Å; M231-T235 PolarHBondContact O-OG1 3.36Å
232E97Very high92.9Very high134 Ų13483 Ų8363%0.62645%0.449SS*.Hα-helixtrans-59.6-47.6170-71.3170.5-165.500111.5S228 Y230 T235 A236S228-E232 PolarHBondContact O-N 2.91Å; Y230-E232 VanDerWaalsContact C-N 3.29Å; Y230-E232 PolarHBondContact O-N 3.44Å; E232-T235 PolarHBondContact O-N 3.04Å; E232-A236 WeakPolarHBondContact O-CB 3.43Å; E232-A236 PolarHBondContact O-N 3.16Å
233R96.9Very high92.8Very high47 Ų4781.6 Ų81.618%0.17745%0.45CS..Hα-helixtrans-62.1-44.3176.7-64.2-168-58-84.87.4111.9L200 L201 S204 V206 K229 Y230 A236 M237L200-R233 PolarHBondContact O-NH2 2.93Å; L200-R233 VanDerWaalsContact O-NH2 3.07Å; L201-R233 VanDerWaalsContact O-CZ 3.31Å; L201-R233 PolarHBondContact O-NH1 3.21Å; L201-R233 PolarHBondContact O-NH2 3.44Å; S204-R233 WeakPolarHBondContact O-CD 3.26Å; S204-R233 PolarHBondContact O-NE 2.93Å; S204-R233 PolarHBondContact OG-NH2 3.36Å; V206-R233 PolarHBondContact O-NE 2.96Å; V206-R233 PolarHBondContact O-NH2 2.75Å; K229-R233 PolarHBondContact O-N 3Å; K229-R233 PolarHBondContact O-NH1 2.8Å; Y230-R233 WeakPolarHBondContact O-CA 3.46Å; Y230-R233 WeakPolarHBondContact O-CB 3.32Å; Y230-R233 PolarHBondContact O-N 2.89Å; R233-A236 PolarHBondContact O-N 2.77Å; R233-M237 PolarHBondContact O-N 3.39Å
234F96.8Very high92.6Very high35 Ų3579.2 Ų79.215%0.15444%0.437CS..Hα-helixtrans-61.4-45.5177.2173.5-93.6000112.2S207 L208 Y230 M231 M237 K238S207-F234 WeakPolarHBondContact O-CA 3.5Å; S207-F234 VanDerWaalsContact O-CB 3.26Å; S207-F234 WeakPolarHBondContact O-CB 3.42Å; S207-F234 VanDerWaalsContact O-CD2 3.26Å; S207-F234 WeakPolarHBondContact O-CD2 3.4Å; L208-F234 HydrophobicContact CD1-CD2 4.07Å; L208-F234 HydrophobicContact CD1-CE2 3.7Å; Y230-F234 HydrophobicContact CE2-CB 4.3Å; Y230-F234 PolarHBondContact O-N 2.81Å; M231-F234 HydrophobicContact CE-CD1 3.45Å; M231-F234 VanDerWaalsContact CE-CD1 3.45Å; M231-F234 HydrophobicContact CE-CE1 3.77Å; M231-F234 PolarHBondContact O-N 3.01Å; M231-F234 HydrophobicContact SD-CD1 3.89Å; M231-F234 HydrophobicContact SD-CG 4.49Å; F234-M237 HydrophobicContact CD2-CE 4.16Å; F234-M237 HydrophobicContact CE2-CE 4.43Å; F234-M237 PolarHBondContact O-N 2.92Å; F234-K238 HydrophobicContact CD1-CD 4.49Å; F234-K238 HydrophobicContact CE1-CD 3.78Å; F234-K238 HydrophobicContact CE1-CG 4.45Å; F234-K238 HydrophobicContact CZ-CD 3.9Å; F234-K238 PolarHBondContact O-N 2.8Å
235T95.7Very high92.4Very high54 Ų5482.3 Ų82.333%0.33146%0.455SS..Hα-helixtrans-65.4-42.5178.7-56.50000111.4M231 E232 M237 K238 K239M231-T235 WeakPolarHBondContact O-CB 3.26Å; M231-T235 PolarHBondContact O-N 3.12Å; M231-T235 PolarHBondContact O-OG1 3.36Å; E232-T235 PolarHBondContact O-N 3.04Å; T235-M237 VanDerWaalsContact C-N 3.31Å; T235-M237 PolarHBondContact O-N 3.49Å; T235-K238 PolarHBondContact O-N 3.5Å; T235-K239 WeakPolarHBondContact O-CG 3.39Å; T235-K239 PolarHBondContact O-N 3.28Å
236A94.4Very high92.1Very high50 Ų5081.9 Ų81.941%0.41345%0.448SS..Hα-helixtrans-62.4-38176.500000112.1E232 R233 K240E232-A236 WeakPolarHBondContact O-CB 3.43Å; E232-A236 PolarHBondContact O-N 3.16Å; R233-A236 PolarHBondContact O-N 2.77Å; A236-K240 WeakPolarHBondContact O-CG 3.33Å; A236-K240 PolarHBondContact O-N 3.04Å
237M92.6Very high91.9Very high58 Ų5886.1 Ų86.129%0.28647%0.466SS..Hα-helixtrans-63.6-48.2174176.7-82.7-69.200111.4L208 R233 F234 T235 K239 K240 A241L208-M237 HydrophobicContact CB-CE 4.19Å; R233-M237 PolarHBondContact O-N 3.39Å; F234-M237 HydrophobicContact CD2-CE 4.16Å; F234-M237 HydrophobicContact CE2-CE 4.43Å; F234-M237 PolarHBondContact O-N 2.92Å; T235-M237 VanDerWaalsContact C-N 3.31Å; T235-M237 PolarHBondContact O-N 3.49Å; M237-K239 VanDerWaalsContact C-N 3.31Å; M237-K239 PolarHBondContact O-N 3.37Å; M237-K240 PolarHBondContact O-N 3.02Å; M237-K240 VanDerWaalsContact O-N 3.08Å; M237-A241 PolarHBondContact O-N 3.31Å
238K90Very high91.6Very high121 Ų12189 Ų8953%0.52649%0.486SS..Hα-helixtrans-59.4-39.5177.9-80.2-166.1167.4-177.30113.2F234 T235 K240 A241 A242F234-K238 HydrophobicContact CD1-CD 4.49Å; F234-K238 HydrophobicContact CE1-CD 3.78Å; F234-K238 HydrophobicContact CE1-CG 4.45Å; F234-K238 HydrophobicContact CZ-CD 3.9Å; F234-K238 PolarHBondContact O-N 2.8Å; T235-K238 PolarHBondContact O-N 3.5Å; K238-K240 VanDerWaalsContact C-N 3.27Å; K238-K240 PolarHBondContact O-N 3.29Å; K238-A241 PolarHBondContact O-N 2.93Å; K238-A242 PolarHBondContact O-N 2.72Å
239K90.4Very high91.2Very high162 Ų16289.7 Ų89.770%0.70448%0.481SS*.Hα-helixtrans-65.1-26.6176.6-73.7-179.3178.8-178.50113.8T235 M237T235-K239 WeakPolarHBondContact O-CG 3.39Å; T235-K239 PolarHBondContact O-N 3.28Å; M237-K239 VanDerWaalsContact C-N 3.31Å; M237-K239 PolarHBondContact O-N 3.37Å
240K84.8Confident90.7Very high186 Ų18688.5 Ų88.581%0.80948%0.483SS*.Hα-helixtrans-81.7-19.2176.3-71.8178.9179.3-1770113.2A236 M237 K238A236-K240 WeakPolarHBondContact O-CG 3.33Å; A236-K240 PolarHBondContact O-N 3.04Å; M237-K240 PolarHBondContact O-N 3.02Å; M237-K240 VanDerWaalsContact O-N 3.08Å; K238-K240 VanDerWaalsContact C-N 3.27Å; K238-K240 PolarHBondContact O-N 3.29Å
241A76.9Confident90.1Very high86 Ų8695.2 Ų95.271%0.71152%0.52SS*.Hα-helixtrans-95.6-14.3-178.400000113.5M237 K238M237-A241 PolarHBondContact O-N 3.31Å; K238-A241 PolarHBondContact O-N 2.93Å
242A69.2Low89.5Confident142 Ų14297.7 Ų97.7100%1.17454%0.537SS*.  trans-870171.400000110.4K238K238-A242 PolarHBondContact O-N 2.72Å

Retrieved 242 of 242 residues in 474 ms (Link to these results)

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