A0A096M5X2_POEFO Loading...

Canopy FGF signaling regulator 1

AlphaFold DB , UniProt , Accession A0A096M5X2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 187 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
1M56.2Low71.3Confident215 Ų215131.3 Ų131.3100%1.05964%0.643SS**  0-36.80-60.5-135.4-81.500113
2A62.5Low71.4Confident64 Ų64126.3 Ų126.353%0.52963%0.625SS.*Hα-helixtrans-66.5-34.9178.400000115.2W4 I5 F6A2-W4 PolarHBondContact O-N 2.64Å; A2-I5 WeakPolarHBondContact O-CB 2.99Å; A2-I5 PolarHBondContact O-N 2.91Å; A2-F6 WeakPolarHBondContact O-CD2 3.37Å; A2-F6 PolarHBondContact O-N 3.03Å
3S68.1Low71.1Confident75 Ų75122.9 Ų122.952%0.52461%0.611SS.*Hα-helixtrans-64.7-37.4-177.11690000113.7I5 F6 H7S3-I5 VanDerWaalsContact C-N 3.3Å; S3-I5 PolarHBondContact O-N 3.23Å; S3-F6 PolarHBondContact O-N 3Å; S3-H7 PolarHBondContact O-CD2 2.58Å; S3-H7 PolarHBondContact O-N 2.86Å; S3-H7 VanDerWaalsContact O-N 3.12Å
4W67.4Low70.6Confident214 Ų214121.1 Ų121.181%0.81160%0.604SS**Hα-helixtrans-67.4-31.3175.2-113.340000112.7A2 H7 M8A2-W4 PolarHBondContact O-N 2.64Å; W4-H7 PolarHBondContact O-N 2.95Å; W4-M8 WeakPolarHBondContact O-CB 3.26Å; W4-M8 WeakPolarHBondContact O-CG 3.38Å; W4-M8 PolarHBondContact O-N 3.45Å
5I75.6Confident70Confident118 Ų118119.3 Ų119.361%0.60560%0.601SS**Hα-helixtrans-69.1-40.8177.2-60.1169.5000110.3A2 S3 M8 Y9A2-I5 WeakPolarHBondContact O-CB 2.99Å; A2-I5 PolarHBondContact O-N 2.91Å; S3-I5 VanDerWaalsContact C-N 3.3Å; S3-I5 PolarHBondContact O-N 3.23Å; I5-M8 PolarHBondContact O-N 3.14Å; I5-Y9 WeakPolarHBondContact O-CB 3.03Å; I5-Y9 PolarHBondContact O-N 3Å
6F77.4Confident69.3Low146 Ų146121.6 Ų121.664%0.6461%0.607SS**Hα-helixtrans-64.8-43.5174.5-86.1-79.4000112.5A2 S3 M8 Y9 V10A2-F6 WeakPolarHBondContact O-CD2 3.37Å; A2-F6 PolarHBondContact O-N 3.03Å; S3-F6 PolarHBondContact O-N 3Å; F6-M8 VanDerWaalsContact C-N 3.35Å; F6-M8 PolarHBondContact O-N 3.4Å; F6-Y9 PolarHBondContact O-N 2.89Å; F6-V10 WeakPolarHBondContact O-CB 3.32Å; F6-V10 VanDerWaalsContact O-CG2 3.27Å; F6-V10 WeakPolarHBondContact O-CG2 3.19Å; F6-V10 PolarHBondContact O-N 3.3Å
7H72.9Confident68.7Low123 Ų123121.5 Ų121.557%0.56961%0.607SS**Hα-helixtrans-64.3-38.9177-77.5-65.6000112.7S3 W4 M11S3-H7 PolarHBondContact O-CD2 2.58Å; S3-H7 PolarHBondContact O-N 2.86Å; S3-H7 VanDerWaalsContact O-N 3.12Å; W4-H7 PolarHBondContact O-N 2.95Å; H7-M11 WeakPolarHBondContact O-CB 3.13Å; H7-M11 WeakPolarHBondContact O-CG 3.48Å; H7-M11 PolarHBondContact O-N 2.85Å
8M76.8Confident67.9Low120 Ų120120.5 Ų120.559%0.59161%0.614SS**Hα-helixtrans-66.1-40.1174.1-71.3-66.8-76.200111.7W4 I5 F6 M11 V12W4-M8 WeakPolarHBondContact O-CB 3.26Å; W4-M8 WeakPolarHBondContact O-CG 3.38Å; W4-M8 PolarHBondContact O-N 3.45Å; I5-M8 PolarHBondContact O-N 3.14Å; F6-M8 VanDerWaalsContact C-N 3.35Å; F6-M8 PolarHBondContact O-N 3.4Å; M8-M11 PolarHBondContact O-N 3.45Å; M8-V12 WeakPolarHBondContact O-CB 3.31Å; M8-V12 VanDerWaalsContact O-CG2 3.23Å; M8-V12 WeakPolarHBondContact O-CG2 3.33Å; M8-V12 PolarHBondContact O-N 3.16Å
9Y80.1Confident66.8Low161 Ų161120.1 Ų120.163%0.63162%0.621SS**Hα-helixtrans-66.7-40.9177.5-162.5-105.6000112.2I5 F6 V12 L13I5-Y9 WeakPolarHBondContact O-CB 3.03Å; I5-Y9 PolarHBondContact O-N 3Å; F6-Y9 PolarHBondContact O-N 2.89Å; Y9-V12 PolarHBondContact O-N 3.05Å; Y9-L13 HydrophobicContact CD1-CD1 3.44Å; Y9-L13 VanDerWaalsContact CD1-CD1 3.44Å; Y9-L13 HydrophobicContact CE1-CD1 3.19Å; Y9-L13 HydrophobicContact CG-CD1 4.24Å; Y9-L13 WeakPolarHBondContact O-CB 3.49Å; Y9-L13 PolarHBondContact O-N 2.81Å
10V77.8Confident65.9Low77 Ų77119.2 Ų119.247%0.46763%0.626SS.*Hα-helixtrans-66.7-41.8175.6171.90000111.5F6 L13 L14F6-V10 WeakPolarHBondContact O-CB 3.32Å; F6-V10 VanDerWaalsContact O-CG2 3.27Å; F6-V10 WeakPolarHBondContact O-CG2 3.19Å; F6-V10 PolarHBondContact O-N 3.3Å; V10-L13 PolarHBondContact O-N 3.29Å; V10-L14 HydrophobicContact CG1-CD1 3.94Å; V10-L14 WeakPolarHBondContact O-CB 3.23Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.21Å; V10-L14 PolarHBondContact O-N 3.27Å
11M69.9Low65.1Low131 Ų131122.5 Ų122.565%0.64564%0.638SS**Hα-helixtrans-61.5-44.2173.9-87.6-82.1-176.600111.9H7 M8 L14 T15H7-M11 WeakPolarHBondContact O-CB 3.13Å; H7-M11 WeakPolarHBondContact O-CG 3.48Å; H7-M11 PolarHBondContact O-N 2.85Å; M8-M11 PolarHBondContact O-N 3.45Å; M11-L14 PolarHBondContact O-N 3.38Å; M11-T15 WeakPolarHBondContact O-CG2 3.3Å; M11-T15 PolarHBondContact O-N 3.2Å; M11-T15 VanDerWaalsContact O-N 3.15Å
12V71.9Confident65Low71 Ų71117.6 Ų117.643%0.4363%0.625SS.*Hα-helixtrans-63.9-44.6176.7170.20000110.9M8 Y9 L14 T15 F16M8-V12 WeakPolarHBondContact O-CB 3.31Å; M8-V12 VanDerWaalsContact O-CG2 3.23Å; M8-V12 WeakPolarHBondContact O-CG2 3.33Å; M8-V12 PolarHBondContact O-N 3.16Å; Y9-V12 PolarHBondContact O-N 3.05Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.04Å; V12-T15 PolarHBondContact O-N 2.73Å; V12-T15 PolarHBondContact O-OG1 3.35Å; V12-F16 HydrophobicContact CG1-CD2 3.93Å; V12-F16 HydrophobicContact CG1-CE2 3.67Å; V12-F16 VanDerWaalsContact O-CD2 3.25Å; V12-F16 WeakPolarHBondContact O-CD2 3.44Å; V12-F16 PolarHBondContact O-N 2.93Å
13L68Low65.1Low83 Ų83124 Ų12444%0.43564%0.641SS.*Hα-helixtrans-60.2-39.9175.6-105.6123.2000113.1Y9 V10 T15 F16 I17Y9-L13 HydrophobicContact CD1-CD1 3.44Å; Y9-L13 VanDerWaalsContact CD1-CD1 3.44Å; Y9-L13 HydrophobicContact CE1-CD1 3.19Å; Y9-L13 HydrophobicContact CG-CD1 4.24Å; Y9-L13 WeakPolarHBondContact O-CB 3.49Å; Y9-L13 PolarHBondContact O-N 2.81Å; V10-L13 PolarHBondContact O-N 3.29Å; L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 PolarHBondContact O-N 3.04Å; L13-F16 PolarHBondContact O-N 3.5Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.36Å
14L64.3Low65.6Low98 Ų98125.7 Ų125.751%0.51364%0.636SS.*Hα-helixtrans-66.6-32.7177.6-73.5165.4000112.6V10 M11 V12 S18V10-L14 HydrophobicContact CG1-CD1 3.94Å; V10-L14 WeakPolarHBondContact O-CB 3.23Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.21Å; V10-L14 PolarHBondContact O-N 3.27Å; M11-L14 PolarHBondContact O-N 3.38Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.04Å; L14-S18 PolarHBondContact O-OG 3.28Å
15T61.6Low66.6Low93 Ų93119.8 Ų119.857%0.57162%0.62SS**Hα-helixtrans-70-31.8174.756.80000113.2M11 V12 L13M11-T15 WeakPolarHBondContact O-CG2 3.3Å; M11-T15 PolarHBondContact O-N 3.2Å; M11-T15 VanDerWaalsContact O-N 3.15Å; V12-T15 PolarHBondContact O-N 2.73Å; V12-T15 PolarHBondContact O-OG1 3.35Å; L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 PolarHBondContact O-N 3.04Å
16F58.7Low67.2Low157 Ų157119.9 Ų119.969%0.68962%0.616SS**Hα-helixtrans-73.7-29.6177.4-82.8-73.1000113.4V12 L13 S18V12-F16 HydrophobicContact CG1-CD2 3.93Å; V12-F16 HydrophobicContact CG1-CE2 3.67Å; V12-F16 VanDerWaalsContact O-CD2 3.25Å; V12-F16 WeakPolarHBondContact O-CD2 3.44Å; V12-F16 PolarHBondContact O-N 2.93Å; L13-F16 PolarHBondContact O-N 3.5Å; F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 2.89Å
17I59.4Low67.8Low120 Ų120115.8 Ų115.862%0.61560%0.603SS**Hα-helixtrans-70.5-25.5179.1-63.6163.7000111.7L13 C19L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.36Å; I17-C19 VanDerWaalsContact C-N 3.32Å; I17-C19 PolarHBondContact O-N 3.36Å
18S53.2Low68.7Low103 Ų103111 Ų11172%0.7258%0.582SS**THydrogen-bonded Turntrans-83.8-0.1-173.7-56.60000114.4L14 F16L14-S18 PolarHBondContact O-OG 3.28Å; F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 2.89Å
19C46.9Very low69.5Low112 Ų112106.2 Ų106.276%0.75756%0.557SS**THydrogen-bonded Turntrans-116.116.1-167.3-153.90000115.6I17I17-C19 VanDerWaalsContact C-N 3.32Å; I17-C19 PolarHBondContact O-N 3.36Å
20S49.2Very low70.1Confident102 Ų10299.4 Ų99.471%0.71353%0.533SS*.  trans-113.729.4-179.653.20000114.7S22S20-S22 VanDerWaalsContact C-N 3.35Å; S20-S22 PolarHBondContact O-N 3.07Å
21Q48.9Very low70.9Confident189 Ų18996 Ų9688%0.88351%0.513SS*.  trans-83.585.9158.7-70.8-172.927.100108.5K23Q21-K23 PolarHBondContact O-N 2.95Å
22S54.4Low72.1Confident112 Ų11289.8 Ų89.878%0.78348%0.482SS*.  trans-59110.5165.6-1760000107.6S20 R24S20-S22 VanDerWaalsContact C-N 3.35Å; S20-S22 PolarHBondContact O-N 3.07Å; S22-R24 PolarHBondContact O-N 2.95Å; S22-R24 VanDerWaalsContact O-N 3.08Å
23K65.8Low73.2Confident200 Ų20086.5 Ų86.587%0.8746%0.462SS*.  trans-62.9113.3174.2-74-176.1176.6-179.10107.4Q21 D25Q21-K23 PolarHBondContact O-N 2.95Å; K23-D25 PolarHBondContact O-N 3.29Å
24R78.4Confident74.4Confident109 Ų10985.9 Ų85.941%0.41146%0.456SS..  trans-54.3135.1173.9-71-179176.1167.4-0.3109.3S22 K26 Y29 E148 Y176S22-R24 PolarHBondContact O-N 2.95Å; S22-R24 VanDerWaalsContact O-N 3.08Å; R24-K26 PolarHBondContact O-N 2.98Å; R24-K26 VanDerWaalsContact O-N 3.12Å; R24-Y29 HydrophobicContact CB-CD2 3.85Å; R24-Y29 HydrophobicContact CB-CE2 3.71Å; R24-Y29 HydrophobicContact CB-CG 4.44Å; R24-Y29 HydrophobicContact CG-CD2 4.37Å; R24-Y29 HydrophobicContact CG-CE1 4.34Å; R24-Y29 HydrophobicContact CG-CE2 3.81Å; R24-E148 IonicContact CZ-OE1 3.82Å; R24-E148 VanDerWaalsContact CZ-OE1 3.28Å; R24-E148 IonicContact CZ-OE2 2.73Å; R24-E148 IonicContact NH1-OE1 3.04Å; R24-E148 PolarHBondContact NH1-OE1 3.45Å; R24-E148 IonicContact NH1-OE2 3.2Å; R24-E148 PolarHBondContact NH1-OE2 3.37Å; R24-E148 IonicContact NH2-OE1 3.23Å; R24-E148 PolarHBondContact NH2-OE1 3.33Å; R24-Y176 PolarHBondContact NH1-OH 3.14Å
25D87.5Confident75.9Confident91 Ų9181.3 Ų81.349%0.48743%0.432SS..  trans-67.4110175.6-176.8-30.9000109.1K23 V27 L28 Y29K23-D25 PolarHBondContact O-N 3.29Å; D25-V27 VanDerWaalsContact C-N 3.25Å; D25-V27 PolarHBondContact O-N 3.01Å; D25-V27 WeakPolarHBondContact OD1-CA 3.25Å; D25-V27 WeakPolarHBondContact OD1-CB 3.44Å; D25-V27 PolarHBondContact OD1-N 3.46Å; D25-L28 HydrophobicContact CB-CB 3.8Å; D25-L28 PolarHBondContact O-N 3.5Å; D25-L28 PolarHBondContact OD1-N 2.95Å; D25-Y29 WeakPolarHBondContact O-CD2 3.17Å; D25-Y29 PolarHBondContact O-N 3.12Å
26K88Confident77.4Confident119 Ų11977 Ų7752%0.51741%0.406SS..Hα-helixtrans-59.9-35.6-177.7-67.3-164.6173.9-1530112.5R24 C30R24-K26 PolarHBondContact O-N 2.98Å; R24-K26 VanDerWaalsContact O-N 3.12Å; K26-C30 WeakPolarHBondContact O-CB 3.42Å; K26-C30 PolarHBondContact O-N 3.39Å
27V89.8Confident79.1Confident61 Ų6169.6 Ų69.637%0.3737%0.373SS..Hα-helixtrans-67.6-44.4179.3173.90000109.7D25 S31 K105D25-V27 VanDerWaalsContact C-N 3.25Å; D25-V27 PolarHBondContact O-N 3.01Å; D25-V27 WeakPolarHBondContact OD1-CA 3.25Å; D25-V27 WeakPolarHBondContact OD1-CB 3.44Å; D25-V27 PolarHBondContact OD1-N 3.46Å; V27-S31 VanDerWaalsContact O-CB 3.26Å; V27-S31 WeakPolarHBondContact O-CB 3.19Å; V27-S31 PolarHBondContact O-N 3.45Å; V27-S31 PolarHBondContact O-OG 3.47Å; V27-K105 HydrophobicContact CG1-CB 4.49Å; V27-K105 WeakPolarHBondContact CG1-O 3.45Å
28L92.6Very high80.7Confident22 Ų2267.3 Ų67.312%0.11536%0.362CS..Hα-helixtrans-61.5-53.6178.9-17566.7000111.6D25 S31 A32 Y107 N137 L138 A141D25-L28 HydrophobicContact CB-CB 3.8Å; D25-L28 PolarHBondContact O-N 3.5Å; D25-L28 PolarHBondContact OD1-N 2.95Å; L28-S31 PolarHBondContact O-N 3.37Å; L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 3.44Å; L28-Y107 HydrophobicContact CD1-CD2 4.22Å; L28-Y107 HydrophobicContact CD1-CE2 3.53Å; L28-N137 HydrophobicContact CD1-CB 4.38Å; L28-N137 HydrophobicContact CD2-CB 4.19Å; L28-L138 HydrophobicContact CD1-CB 4.18Å; L28-L138 HydrophobicContact CD1-CD1 3.95Å; L28-A141 HydrophobicContact CD2-CB 4.1Å; L28-A141 HydrophobicContact CG-CB 3.93Å
29Y93.3Very high82.6Confident19 Ų1963 Ų638%0.07533%0.331CS..Hα-helixtrans-70.9-37.6-175.9-80.2-101.9000112.5R24 D25 S31 A32 C33 A141 T144 L145 Y176R24-Y29 HydrophobicContact CB-CD2 3.85Å; R24-Y29 HydrophobicContact CB-CE2 3.71Å; R24-Y29 HydrophobicContact CB-CG 4.44Å; R24-Y29 HydrophobicContact CG-CD2 4.37Å; R24-Y29 HydrophobicContact CG-CE1 4.34Å; R24-Y29 HydrophobicContact CG-CE2 3.81Å; D25-Y29 WeakPolarHBondContact O-CD2 3.17Å; D25-Y29 PolarHBondContact O-N 3.12Å; Y29-S31 VanDerWaalsContact C-N 3.34Å; Y29-A32 PolarHBondContact O-N 2.9Å; Y29-C33 WeakPolarHBondContact O-CB 3.49Å; Y29-C33 PolarHBondContact O-N 3.26Å; Y29-A141 HydrophobicContact CD1-CB 4.39Å; Y29-A141 HydrophobicContact CD2-CB 4.35Å; Y29-A141 HydrophobicContact CE1-CB 4.3Å; Y29-A141 HydrophobicContact CE2-CB 4.26Å; Y29-A141 HydrophobicContact CG-CB 4.43Å; Y29-T144 HydrophobicContact CE1-CG2 4.14Å; Y29-L145 HydrophobicContact CD1-CD1 4.47Å; Y29-L145 HydrophobicContact CD1-CD2 4.06Å; Y29-L145 HydrophobicContact CD1-CG 4.14Å; Y29-Y176 HydrophobicContact CD1-CD1 4.28Å; Y29-Y176 AromaticContact CD1-CE1 3.88Å; Y29-Y176 HydrophobicContact CD1-CE1 3.88Å; Y29-Y176 HydrophobicContact CG-CD1 4.21Å; Y29-Y176 HydrophobicContact CG-CE1 4.18Å
30C93.4Very high84.8Confident19 Ų1957.8 Ų57.813%0.12830%0.295CS..Hα-helixtrans-62.6-43.2172.5176.50000111.1K26 C33 K34 Y176 C177K26-C30 WeakPolarHBondContact O-CB 3.42Å; K26-C30 PolarHBondContact O-N 3.39Å; C30-C33 PolarHBondContact O-N 3.19Å; C30-K34 WeakPolarHBondContact O-CG 3.29Å; C30-K34 PolarHBondContact O-N 3.05Å; C30-Y176 WeakPolarHBondContact CB-O 3.3Å; C30-C177 WeakPolarHBondContact CA-SG 3.47Å; C30-C177 HydrophobicContact CB-CB 4.11Å; C30-C177 WeakPolarHBondContact CB-SG 3.23Å; C30-C177 VanDerWaalsContact SG-CA 3.53Å; C30-C177 WeakPolarHBondContact SG-CB 3.48Å; C30-C177 CovalentContact SG-SG 2.04Å; C30-C177 PolarHBondContact SG-SG 2.73Å
31S93.5Very high86.8Confident6 Ų656 Ų564%0.04228%0.278CS..Hα-helixtrans-66.5-40.4178.1-52.70000111.8V27 L28 Y29 K34 A35 Y107V27-S31 VanDerWaalsContact O-CB 3.26Å; V27-S31 WeakPolarHBondContact O-CB 3.19Å; V27-S31 PolarHBondContact O-N 3.45Å; V27-S31 PolarHBondContact O-OG 3.47Å; L28-S31 PolarHBondContact O-N 3.37Å; Y29-S31 VanDerWaalsContact C-N 3.34Å; S31-K34 PolarHBondContact O-N 3.04Å; S31-A35 WeakPolarHBondContact O-CB 3.5Å; S31-A35 PolarHBondContact O-N 3.2Å; S31-Y107 PolarHBondContact OG-N 3.06Å
32A95.5Very high88.9Confident0 Ų049.9 Ų49.90%025%0.247CC..Hα-helixtrans-61.8-45.1175.700000111.7L28 Y29 K34 A35 I36 L138 A141 L145L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 3.44Å; Y29-A32 PolarHBondContact O-N 2.9Å; A32-K34 PolarHBondContact O-N 3.48Å; A32-A35 PolarHBondContact O-N 3.06Å; A32-I36 WeakPolarHBondContact O-CG1 3.44Å; A32-I36 PolarHBondContact O-N 2.77Å; A32-L138 HydrophobicContact CB-CD1 3.85Å; A32-A141 HydrophobicContact CB-CB 3.99Å; A32-L145 HydrophobicContact CB-CD1 3.59Å
33C95Very high90.6Very high2 Ų246.4 Ų46.41%0.01422%0.223CC..Hα-helixtrans-60.4-45.5176.7-177.60000112.1Y29 C30 A35 I36 V37 L145 C170Y29-C33 WeakPolarHBondContact O-CB 3.49Å; Y29-C33 PolarHBondContact O-N 3.26Å; C30-C33 PolarHBondContact O-N 3.19Å; C33-A35 VanDerWaalsContact C-N 3.32Å; C33-A35 PolarHBondContact O-N 3.44Å; C33-I36 PolarHBondContact O-N 3.3Å; C33-V37 WeakPolarHBondContact O-CG2 3.47Å; C33-V37 PolarHBondContact O-N 3.07Å; C33-L145 HydrophobicContact CB-CD1 3.97Å; C33-C170 HydrophobicContact CB-CB 3.85Å; C33-C170 WeakPolarHBondContact CB-SG 3.41Å; C33-C170 WeakPolarHBondContact SG-CA 3.3Å; C33-C170 WeakPolarHBondContact SG-CB 3.48Å; C33-C170 CovalentContact SG-SG 2.04Å; C33-C170 PolarHBondContact SG-SG 3.29Å
34K93.4Very high91.8Very high70 Ų7037.6 Ų37.630%0.30419%0.185SC..Hα-helixtrans-61.5-41.9175.8-69.7-179.1177.2179.50111.7C30 S31 A32 V37 D38 Q166C30-K34 WeakPolarHBondContact O-CG 3.29Å; C30-K34 PolarHBondContact O-N 3.05Å; S31-K34 PolarHBondContact O-N 3.04Å; A32-K34 PolarHBondContact O-N 3.48Å; K34-V37 PolarHBondContact O-N 3.36Å; K34-D38 WeakPolarHBondContact O-CB 3.37Å; K34-D38 PolarHBondContact O-N 3.05Å; K34-Q166 HydrophobicContact CB-CG 4.34Å; K34-Q166 HydrophobicContact CG-CG 3.93Å
35A94.6Very high92.3Very high2 Ų236.2 Ų36.22%0.01719%0.192CC..Hα-helixtrans-63-44.717800000111.8S31 A32 C33 V37 D38 E39 M91 Y94S31-A35 WeakPolarHBondContact O-CB 3.5Å; S31-A35 PolarHBondContact O-N 3.2Å; A32-A35 PolarHBondContact O-N 3.06Å; C33-A35 VanDerWaalsContact C-N 3.32Å; C33-A35 PolarHBondContact O-N 3.44Å; A35-V37 VanDerWaalsContact C-N 3.33Å; A35-V37 PolarHBondContact O-N 2.72Å; A35-D38 PolarHBondContact O-N 2.89Å; A35-E39 WeakPolarHBondContact O-CB 3.4Å; A35-E39 WeakPolarHBondContact O-CG 2.83Å; A35-E39 PolarHBondContact O-N 3.28Å; A35-M91 HydrophobicContact CB-CE 3.68Å; A35-M91 HydrophobicContact CB-SD 3.84Å; A35-Y94 HydrophobicContact CB-CD1 4.16Å; A35-Y94 HydrophobicContact CB-CE1 3.57Å; A35-Y94 HydrophobicContact CB-CE2 4.31Å
36I94.9Very high92.3Very high2 Ų237.9 Ų37.91%0.0120%0.197CC..Hα-helixtrans-54.9-50.6175.5-68.9162.7000110.4A32 C33 D38 E39 L40 L84 V87 M91 C142 L145 V146 I153A32-I36 WeakPolarHBondContact O-CG1 3.44Å; A32-I36 PolarHBondContact O-N 2.77Å; C33-I36 PolarHBondContact O-N 3.3Å; I36-D38 PolarHBondContact O-N 2.89Å; I36-E39 PolarHBondContact O-N 3.11Å; I36-L40 HydrophobicContact CG2-CD1 3.69Å; I36-L40 HydrophobicContact CG2-CG 4.3Å; I36-L40 WeakPolarHBondContact O-CB 3.22Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 3.23Å; I36-L84 HydrophobicContact CG2-CD2 4.4Å; I36-V87 HydrophobicContact CG1-CG1 4.36Å; I36-V87 HydrophobicContact CG2-CG1 4.44Å; I36-M91 HydrophobicContact CG1-CE 4.43Å; I36-C142 HydrophobicContact CD1-CB 4.44Å; I36-C142 VanDerWaalsContact CG1-SG 3.59Å; I36-L145 HydrophobicContact CD1-CB 3.69Å; I36-L145 HydrophobicContact CD1-CD1 4.02Å; I36-V146 HydrophobicContact CD1-CG2 4.01Å; I36-V146 HydrophobicContact CG1-CG2 4.46Å; I36-I153 HydrophobicContact CG2-CD1 4.16Å
37V93.3Very high92.3Very high1 Ų133.6 Ų33.61%0.00618%0.18CC..Hα-helixtrans-65.1-40.1-178.2177.10000112C33 K34 A35 N41 V165 Q166 L169C33-V37 WeakPolarHBondContact O-CG2 3.47Å; C33-V37 PolarHBondContact O-N 3.07Å; K34-V37 PolarHBondContact O-N 3.36Å; A35-V37 VanDerWaalsContact C-N 3.33Å; A35-V37 PolarHBondContact O-N 2.72Å; V37-N41 VanDerWaalsContact CG1-ND2 3.3Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.39Å; V37-N41 VanDerWaalsContact O-CB 3.29Å; V37-N41 WeakPolarHBondContact O-CB 3.27Å; V37-N41 VanDerWaalsContact O-CG 3.29Å; V37-N41 PolarHBondContact O-N 3.29Å; V37-N41 PolarHBondContact O-ND2 2.89Å; V37-V165 HydrophobicContact CG1-CG1 4.39Å; V37-Q166 HydrophobicContact CB-CB 4.34Å; V37-Q166 HydrophobicContact CB-CG 4.31Å; V37-Q166 HydrophobicContact CG1-CB 3.84Å; V37-Q166 HydrophobicContact CG1-CG 4.32Å; V37-L169 HydrophobicContact CG2-CD2 3.53Å
38D92.8Very high92Very high72 Ų7235 Ų3539%0.38519%0.186SC..Hα-helixtrans-63.6-46.3177.3-173.251.7000112K34 A35 I36 N41 Y42 R113K34-D38 WeakPolarHBondContact O-CB 3.37Å; K34-D38 PolarHBondContact O-N 3.05Å; A35-D38 PolarHBondContact O-N 2.89Å; I36-D38 PolarHBondContact O-N 2.89Å; D38-N41 PolarHBondContact O-N 3.27Å; D38-Y42 WeakPolarHBondContact O-CB 3.47Å; D38-Y42 PolarHBondContact O-N 3.03Å; D38-R113 IonicContact OD2-CZ 3.29Å; D38-R113 IonicContact OD2-NH2 3.9Å; D38-R113 PolarHBondContact OD2-NH2 3.27Å
39E94.1Very high91.4Very high14 Ų1439.3 Ų39.37%0.06522%0.215CC..Hα-helixtrans-66.3-40.6179.6-68.9-68.2153.200112.6A35 I36 S43 V87 S90 Y94 R109 R113A35-E39 WeakPolarHBondContact O-CB 3.4Å; A35-E39 WeakPolarHBondContact O-CG 2.83Å; A35-E39 PolarHBondContact O-N 3.28Å; I36-E39 PolarHBondContact O-N 3.11Å; E39-S43 WeakPolarHBondContact O-CB 3.43Å; E39-S43 PolarHBondContact O-N 2.75Å; E39-S43 PolarHBondContact O-OG 3.14Å; E39-V87 HydrophobicContact CB-CG2 3.55Å; E39-V87 HydrophobicContact CG-CG2 4.38Å; E39-S90 WeakPolarHBondContact CG-OG 3.21Å; E39-Y94 HydrophobicContact CG-CE2 4.37Å; E39-Y94 WeakPolarHBondContact OE1-CE2 3.29Å; E39-Y94 PolarHBondContact OE1-OH 2.95Å; E39-R109 IonicContact OE1-CZ 2.74Å; E39-R109 IonicContact OE1-NE 2.86Å; E39-R109 IonicContact OE1-NH1 3.33Å; E39-R109 PolarHBondContact OE1-NH1 2.65Å; E39-R113 IonicContact OE1-CZ 2.95Å; E39-R113 IonicContact OE1-NH1 3.86Å; E39-R113 PolarHBondContact OE1-NH1 3.42Å; E39-R113 IonicContact OE1-NH2 3.28Å; E39-R113 PolarHBondContact OE1-NH2 3.45Å; E39-R113 IonicContact OE2-CZ 2.96Å; E39-R113 IonicContact OE2-NH1 3.92Å; E39-R113 PolarHBondContact OE2-NH1 2.94Å; E39-R113 IonicContact OE2-NH2 2.69Å
40L92.9Very high90.9Very high1 Ų146.8 Ų46.81%0.00525%0.248CC..Hα-helixtrans-66.1-47.7175-70.9176.5000111.4I36 Y42 S43 I44 L83 L84 V87 I153 L157I36-L40 HydrophobicContact CG2-CD1 3.69Å; I36-L40 HydrophobicContact CG2-CG 4.3Å; I36-L40 WeakPolarHBondContact O-CB 3.22Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 3.23Å; L40-Y42 VanDerWaalsContact C-N 3.3Å; L40-Y42 PolarHBondContact O-N 3.47Å; L40-S43 PolarHBondContact O-N 3.27Å; L40-I44 WeakPolarHBondContact O-CB 3.5Å; L40-I44 WeakPolarHBondContact O-CD1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.36Å; L40-I44 PolarHBondContact O-N 2.89Å; L40-L83 HydrophobicContact CD2-CB 3.52Å; L40-L83 HydrophobicContact CD2-CD1 4.37Å; L40-L84 HydrophobicContact CD1-CD2 3.73Å; L40-L84 HydrophobicContact CD1-CG 4.44Å; L40-L84 HydrophobicContact CD2-CD2 4.33Å; L40-L84 HydrophobicContact CD2-CG 4.47Å; L40-V87 HydrophobicContact CD2-CG2 4.36Å; L40-V87 HydrophobicContact CG-CG2 4.26Å; L40-I153 HydrophobicContact CD1-CG2 3.53Å; L40-L157 HydrophobicContact CB-CD1 3.91Å; L40-L157 HydrophobicContact CD1-CD1 3.56Å; L40-L157 HydrophobicContact CG-CD1 4.35Å
41N91.7Very high90.5Very high65 Ų6550.6 Ų50.635%0.34827%0.265SS..Hα-helixtrans-61.2-40.8178.1-80.3-42.5000112V37 D38 S45V37-N41 VanDerWaalsContact CG1-ND2 3.3Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.39Å; V37-N41 VanDerWaalsContact O-CB 3.29Å; V37-N41 WeakPolarHBondContact O-CB 3.27Å; V37-N41 VanDerWaalsContact O-CG 3.29Å; V37-N41 PolarHBondContact O-N 3.29Å; V37-N41 PolarHBondContact O-ND2 2.89Å; D38-N41 PolarHBondContact O-N 3.27Å; N41-S45 WeakPolarHBondContact O-CB 3.45Å; N41-S45 PolarHBondContact O-N 3.48Å
42Y91.3Very high90Very high61 Ų6154 Ų5424%0.23929%0.286CS..Hα-helixtrans-60-51.1173.7177.6-102.9000110.8D38 L40 I44 S45 Q46 R113D38-Y42 WeakPolarHBondContact O-CB 3.47Å; D38-Y42 PolarHBondContact O-N 3.03Å; L40-Y42 VanDerWaalsContact C-N 3.3Å; L40-Y42 PolarHBondContact O-N 3.47Å; Y42-I44 VanDerWaalsContact C-N 3.34Å; Y42-I44 PolarHBondContact O-N 2.88Å; Y42-S45 WeakPolarHBondContact O-CB 3.29Å; Y42-S45 PolarHBondContact O-N 2.86Å; Y42-S45 PolarHBondContact O-OG 2.96Å; Y42-Q46 HydrophobicContact CE1-CG 4.2Å; Y42-Q46 WeakPolarHBondContact O-CG 3.38Å; Y42-Q46 PolarHBondContact O-N 3.02Å; Y42-R113 VanDerWaalsContact CD2-CD 3.42Å; Y42-R113 HydrophobicContact CE1-CB 3.88Å; Y42-R113 HydrophobicContact CE1-CG 4.29Å; Y42-R113 HydrophobicContact CE2-CB 4.25Å; Y42-R113 VanDerWaalsContact CE2-CD 3.45Å; Y42-R113 HydrophobicContact CE2-CG 4.48Å
43S91.4Very high89.5Confident39 Ų3956.4 Ų56.427%0.27330%0.298SS..Hα-helixtrans-60.7-41.1-179.6-60.10000112.8E39 L40 S45 Q46E39-S43 WeakPolarHBondContact O-CB 3.43Å; E39-S43 PolarHBondContact O-N 2.75Å; E39-S43 PolarHBondContact O-OG 3.14Å; L40-S43 PolarHBondContact O-N 3.27Å; S43-S45 VanDerWaalsContact C-N 3.31Å; S43-S45 PolarHBondContact O-N 3.37Å; S43-Q46 WeakPolarHBondContact O-CB 3.36Å; S43-Q46 PolarHBondContact O-N 2.97Å
44I90.3Very high88.8Confident15 Ų1560.4 Ų60.48%0.07732%0.319CS..Hα-helixtrans-61.5-40.3174.1-67.2163.9000110.8L40 Y42 Q46 V47 A74 R75 L80 L83 L157L40-I44 WeakPolarHBondContact O-CB 3.5Å; L40-I44 WeakPolarHBondContact O-CD1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.36Å; L40-I44 PolarHBondContact O-N 2.89Å; Y42-I44 VanDerWaalsContact C-N 3.34Å; Y42-I44 PolarHBondContact O-N 2.88Å; I44-Q46 PolarHBondContact O-N 2.9Å; I44-V47 PolarHBondContact O-N 2.95Å; I44-V47 VanDerWaalsContact O-N 3.15Å; I44-A74 HydrophobicContact CG2-CB 4.27Å; I44-R75 HydrophobicContact CG2-CG 4.15Å; I44-L80 HydrophobicContact CD1-CD2 3.59Å; I44-L80 HydrophobicContact CG1-CD2 4.02Å; I44-L83 HydrophobicContact CG1-CD1 3.97Å; I44-L157 HydrophobicContact CD1-CD1 4.31Å; I44-L157 HydrophobicContact CD1-CD2 4.39Å
45S89.1Confident88.1Confident79 Ų7959.7 Ų59.755%0.55232%0.321SS*.Hα-helixtrans-67.1-20.8-179.477.90000113.9N41 Y42 S43 V47N41-S45 WeakPolarHBondContact O-CB 3.45Å; N41-S45 PolarHBondContact O-N 3.48Å; Y42-S45 WeakPolarHBondContact O-CB 3.29Å; Y42-S45 PolarHBondContact O-N 2.86Å; Y42-S45 PolarHBondContact O-OG 2.96Å; S43-S45 VanDerWaalsContact C-N 3.31Å; S43-S45 PolarHBondContact O-N 3.37Å; S45-V47 VanDerWaalsContact C-N 3.3Å
46Q88.3Confident86.9Confident127 Ų12761.4 Ų61.459%0.59334%0.339SS*.THydrogen-bonded Turntrans-79-14.1176.6-61-65.589.200112.7Y42 S43 I44Y42-Q46 HydrophobicContact CE1-CG 4.2Å; Y42-Q46 WeakPolarHBondContact O-CG 3.38Å; Y42-Q46 PolarHBondContact O-N 3.02Å; S43-Q46 WeakPolarHBondContact O-CB 3.36Å; S43-Q46 PolarHBondContact O-N 2.97Å; I44-Q46 PolarHBondContact O-N 2.9Å
47V88.1Confident85.7Confident28 Ų2862.5 Ų62.517%0.1735%0.347CS..SBendtrans-85.6138.8179.9-178.60000110.6I44 S45 P49 F73 A74I44-V47 PolarHBondContact O-N 2.95Å; I44-V47 VanDerWaalsContact O-N 3.15Å; S45-V47 VanDerWaalsContact C-N 3.3Å; V47-P49 WeakPolarHBondContact O-CD 3.29Å; V47-F73 HydrophobicContact CG1-CD1 3.81Å; V47-F73 HydrophobicContact CG1-CE1 4.41Å; V47-A74 HydrophobicContact CB-CB 3.83Å; V47-A74 HydrophobicContact CG1-CB 3.7Å
48D82.3Confident84.5Confident92 Ų9272.5 Ų72.549%0.49239%0.391SS..  trans-63.2121.8174.9-175.4-15.2000110.3K50 M51D48-K50 PolarHBondContact O-N 3.26Å; D48-K50 WeakPolarHBondContact OD1-CB 3.46Å; D48-K50 PolarHBondContact OD1-N 2.84Å; D48-M51 HydrophobicContact CB-CB 4.46Å; D48-M51 VanDerWaalsContact O-CB 3.32Å; D48-M51 WeakPolarHBondContact O-CB 3.42Å; D48-M51 PolarHBondContact O-N 2.95Å
49P80.9Confident83.5Confident112 Ų11278.9 Ų78.973%0.72741%0.409SS*.THydrogen-bonded Turntrans-61.3-16.5179.625.4-36000113.8V47V47-P49 WeakPolarHBondContact O-CD 3.29Å
50K81.9Confident82.7Confident176 Ų17683.9 Ų83.977%0.76544%0.436SS*.THydrogen-bonded Turntrans-85.1-12.5176.2-63.5178.7-177.91730113.5D48 T52D48-K50 PolarHBondContact O-N 3.26Å; D48-K50 WeakPolarHBondContact OD1-CB 3.46Å; D48-K50 PolarHBondContact OD1-N 2.84Å; K50-T52 PolarHBondContact O-N 3.18Å
51M84.5Confident81.9Confident98 Ų9886.2 Ų86.248%0.48345%0.448SS..  trans-69.8124.1179-170.8170.1171.900109.5D48 F73D48-M51 HydrophobicContact CB-CB 4.46Å; D48-M51 VanDerWaalsContact O-CB 3.32Å; D48-M51 WeakPolarHBondContact O-CB 3.42Å; D48-M51 PolarHBondContact O-N 2.95Å; M51-F73 HydrophobicContact CB-CB 4.22Å; M51-F73 HydrophobicContact CE-CD1 3.71Å; M51-F73 HydrophobicContact CE-CE1 3.95Å; M51-F73 HydrophobicContact CE-CG 4.04Å; M51-F73 HydrophobicContact CE-CZ 4.45Å; M51-F73 HydrophobicContact CG-CB 3.85Å; M51-F73 HydrophobicContact CG-CD1 4.12Å; M51-F73 HydrophobicContact CG-CG 4.2Å; M51-F73 WeakPolarHBondContact O-CB 3.2Å; M51-F73 PolarHBondContact O-N 3.38Å; M51-F73 HydrophobicContact SD-CB 4.5Å; M51-F73 HydrophobicContact SD-CD1 3.64Å; M51-F73 HydrophobicContact SD-CE1 4.21Å; M51-F73 HydrophobicContact SD-CG 4.24Å
52T84.6Confident81.5Confident78 Ų7890 Ų9048%0.47948%0.476SS..EExtended strand (participates in β ladder)trans-123144.9179.8620000111.1K50 V71K50-T52 PolarHBondContact O-N 3.18Å; T52-V71 CarbonylContact C-O 3.58Å; T52-V71 VanDerWaalsContact CA-O 3.25Å; T52-V71 WeakPolarHBondContact CA-O 3.3Å; T52-V71 WeakPolarHBondContact CB-O 3.47Å
53I83.9Confident81.2Confident51 Ų5192.5 Ų92.526%0.26249%0.494SS..EExtended strand (participates in β ladder)trans-111.5144.9173.1-170.9167000110.4V55 K70 V71 F73I53-V55 HydrophobicContact CG2-CG1 4.48Å; I53-V55 PolarHBondContact O-N 3.01Å; I53-K70 WeakPolarHBondContact O-CA 3.32Å; I53-V71 HydrophobicContact CG2-CG2 3.7Å; I53-V71 PolarHBondContact N-O 2.69Å; I53-V71 PolarHBondContact O-N 3.14Å; I53-V71 VanDerWaalsContact O-N 3.07Å; I53-F73 HydrophobicContact CB-CD2 4.13Å; I53-F73 HydrophobicContact CD1-CD2 4.22Å; I53-F73 HydrophobicContact CD1-CE2 4.46Å; I53-F73 HydrophobicContact CG2-CD2 4.29Å
54N80.2Confident80.5Confident85 Ų8593.3 Ų93.346%0.45551%0.508SS..EExtended strand (participates in β ladder)trans-83.2107.7173.1-74.9-22.8000109G56 K70N54-G56 PolarHBondContact O-N 2.95Å; N54-K70 WeakPolarHBondContact OD1-CE 3.36Å; N54-K70 WeakPolarHBondContact OD1-CG 3.34Å
55V79.2Confident80Confident55 Ų5595.8 Ų95.833%0.33352%0.524SS..EExtended strand (participates in β ladder)trans-91.287.2165.2-67.50000106.1I53 S57 K69 V71I53-V55 HydrophobicContact CG2-CG1 4.48Å; I53-V55 PolarHBondContact O-N 3.01Å; V55-S57 PolarHBondContact O-N 3.28Å; V55-K69 HydrophobicContact CG2-CB 4.05Å; V55-K69 HydrophobicContact CG2-CD 4.11Å; V55-K69 HydrophobicContact CG2-CG 4.05Å; V55-K69 VanDerWaalsContact CG2-O 3.31Å; V55-K69 WeakPolarHBondContact CG2-O 3.48Å; V55-K69 PolarHBondContact N-O 3.31Å; V55-K69 WeakPolarHBondContact O-CB 3.45Å; V55-V71 HydrophobicContact CG1-CG2 3.8Å; V55-V71 HydrophobicContact CG2-CB 4.46Å; V55-V71 HydrophobicContact CG2-CG1 3.76Å; V55-V71 HydrophobicContact CG2-CG2 3.91Å
56G69.3Low79.3Confident39 Ų3997.2 Ų97.240%0.40252%0.524SS..EExtended strand (participates in β ladder)trans-45.1131.8-174.300000111.2N54 F58N54-G56 PolarHBondContact O-N 2.95Å; G56-F58 PolarHBondContact O-N 3.43Å
57S69Low78.4Confident25 Ų2594.5 Ų94.518%0.17552%0.516CS..EExtended strand (participates in β ladder)trans-75.3122.7176.380.60000108V55 R59 M66 T67V55-S57 PolarHBondContact O-N 3.28Å; S57-R59 PolarHBondContact O-N 2.95Å; S57-R59 PolarHBondContact OG-O 2.8Å; S57-M66 WeakPolarHBondContact O-CE 3.35Å; S57-T67 WeakPolarHBondContact CB-O 3.36Å; S57-T67 PolarHBondContact N-O 3.23Å; S57-T67 VanDerWaalsContact N-O 3.14Å; S57-T67 PolarHBondContact OG-O 2.9Å; S57-T67 PolarHBondContact OG-OG1 3.27Å
58F69.3Low77.7Confident211 Ų21198 Ų9893%0.92553%0.534SS*.EExtended strand (participates in β ladder)trans-64.85.2174.1-65.1-82.9000113.1G56G56-F58 PolarHBondContact O-N 3.43Å
59R70.7Confident77.5Confident206 Ų206100 Ų10078%0.77754%0.538SS*.EExtended strand (participates in β ladder)trans-104110.7-177.7-69.4-168.9163.7127.21.1109.6S57S57-R59 PolarHBondContact O-N 2.95Å; S57-R59 PolarHBondContact OG-O 2.8Å
60L78.9Confident77.5Confident118 Ų118101.3 Ų101.362%0.61853%0.532SS*.EExtended strand (participates in β ladder)trans-68.1130.3163.7-81.1129.6000109.1M66L60-M66 HydrophobicContact CD2-CG 4.03Å; L60-M66 HydrophobicContact CG-CG 4.01Å
61N76.3Confident77.6Confident51 Ų5194.5 Ų94.527%0.27351%0.505SS..  trans-69.1157.5168.5-70.2-37.2000109.9D63 G64 T65 T67N61-D63 WeakPolarHBondContact CB-OD1 3.39Å; N61-D63 PolarHBondContact O-N 2.74Å; N61-G64 PolarHBondContact O-N 3.44Å; N61-T65 WeakPolarHBondContact CB-O 3.29Å; N61-T65 PolarHBondContact N-O 3.01Å; N61-T65 PolarHBondContact ND2-OG1 3.35Å; N61-T67 VanDerWaalsContact ND2-CG2 3.26Å; N61-T67 WeakPolarHBondContact ND2-CG2 3.48Å
62P81.8Confident77.7Confident144 Ų14493.7 Ų93.794%0.93551%0.507SS*.THydrogen-bonded Turntrans-58-18.3176.6-2332.9000114.7
63D84.6Confident77.8Confident113 Ų11391.6 Ų91.660%0.60449%0.491SS*.THydrogen-bonded Turntrans-88.31.7178.463.94000113.8N61 T65N61-D63 WeakPolarHBondContact CB-OD1 3.39Å; N61-D63 PolarHBondContact O-N 2.74Å; D63-T65 VanDerWaalsContact C-N 3.31Å; D63-T65 VanDerWaalsContact CG-OG1 3.27Å; D63-T65 WeakPolarHBondContact OD1-CB 3.24Å; D63-T65 PolarHBondContact OD1-N 2.96Å; D63-T65 PolarHBondContact OD1-OG1 2.85Å; D63-T65 PolarHBondContact OD2-OG1 2.85Å
64G77.4Confident77.9Confident56 Ų5689.7 Ų89.758%0.57748%0.484SS*.SBendtrans81.64.1-178.400000114.5N61N61-G64 PolarHBondContact O-N 3.44Å
65T79.5Confident78.2Confident67 Ų6789.3 Ų89.341%0.41148%0.476SS..PPolyproline II helixtrans-86.9150.2173.567.80000111.3N61 D63N61-T65 WeakPolarHBondContact CB-O 3.29Å; N61-T65 PolarHBondContact N-O 3.01Å; N61-T65 PolarHBondContact ND2-OG1 3.35Å; D63-T65 VanDerWaalsContact C-N 3.31Å; D63-T65 VanDerWaalsContact CG-OG1 3.27Å; D63-T65 WeakPolarHBondContact OD1-CB 3.24Å; D63-T65 PolarHBondContact OD1-N 2.96Å; D63-T65 PolarHBondContact OD1-OG1 2.85Å; D63-T65 PolarHBondContact OD2-OG1 2.85Å
66M74.2Confident78.7Confident110 Ų11087 Ų8754%0.54246%0.462SS..EExtended strand (participates in β ladder)trans-102133.4169.1-69.3-177.37500108.5S57 L60S57-M66 WeakPolarHBondContact O-CE 3.35Å; L60-M66 HydrophobicContact CD2-CG 4.03Å; L60-M66 HydrophobicContact CG-CG 4.01Å
67T69.3Low79.7Confident69 Ų6991.9 Ų91.942%0.42347%0.474SS..EExtended strand (participates in β ladder)trans-88.7123.3173.841.40000109.7S57 N61 K69S57-T67 WeakPolarHBondContact CB-O 3.36Å; S57-T67 PolarHBondContact N-O 3.23Å; S57-T67 VanDerWaalsContact N-O 3.14Å; S57-T67 PolarHBondContact OG-O 2.9Å; S57-T67 PolarHBondContact OG-OG1 3.27Å; N61-T67 VanDerWaalsContact ND2-CG2 3.26Å; N61-T67 WeakPolarHBondContact ND2-CG2 3.48Å; T67-K69 PolarHBondContact O-N 2.97Å
68D73.3Confident80.6Confident102 Ų10294.2 Ų94.255%0.54549%0.488SS..EExtended strand (participates in β ladder)trans-80.6118.3172.5-69.4-29.6000109.2
69K79.3Confident81.7Confident134 Ų13485 Ų8558%0.58345%0.447SS*.EExtended strand (participates in β ladder)trans-85.2122.9170.9-178.2-175.6177.9-169.10108.1V55 T67 V71V55-K69 HydrophobicContact CG2-CB 4.05Å; V55-K69 HydrophobicContact CG2-CD 4.11Å; V55-K69 HydrophobicContact CG2-CG 4.05Å; V55-K69 VanDerWaalsContact CG2-O 3.31Å; V55-K69 WeakPolarHBondContact CG2-O 3.48Å; V55-K69 PolarHBondContact N-O 3.31Å; V55-K69 WeakPolarHBondContact O-CB 3.45Å; T67-K69 PolarHBondContact O-N 2.97Å; K69-V71 HydrophobicContact CG-CG1 4.45Å
70K80.3Confident82.8Confident140 Ų14075.2 Ų75.261%0.60941%0.411SS*.EExtended strand (participates in β ladder)trans-95.1133.4174.2-72.8-179.6-179.5-1740110.2I53 N54I53-K70 WeakPolarHBondContact O-CA 3.32Å; N54-K70 WeakPolarHBondContact OD1-CE 3.36Å; N54-K70 WeakPolarHBondContact OD1-CG 3.34Å
71V84Confident83.5Confident32 Ų3270.9 Ų70.919%0.19439%0.39CS..EExtended strand (participates in β ladder)trans-129154.3172.7-62.90000110.1T52 I53 V55 K69 F73T52-V71 CarbonylContact C-O 3.58Å; T52-V71 VanDerWaalsContact CA-O 3.25Å; T52-V71 WeakPolarHBondContact CA-O 3.3Å; T52-V71 WeakPolarHBondContact CB-O 3.47Å; I53-V71 HydrophobicContact CG2-CG2 3.7Å; I53-V71 PolarHBondContact N-O 2.69Å; I53-V71 PolarHBondContact O-N 3.14Å; I53-V71 VanDerWaalsContact O-N 3.07Å; V55-V71 HydrophobicContact CG1-CG2 3.8Å; V55-V71 HydrophobicContact CG2-CB 4.46Å; V55-V71 HydrophobicContact CG2-CG1 3.76Å; V55-V71 HydrophobicContact CG2-CG2 3.91Å; K69-V71 HydrophobicContact CG-CG1 4.45Å; V71-F73 PolarHBondContact O-N 3.04Å
72P85.8Confident84.3Confident81 Ų8173.9 Ų73.953%0.52640%0.403SS..EExtended strand (participates in β ladder)trans-57.4129.6172.3-22.333.8000110.7S76P72-S76 PolarHBondContact O-N 3Å
73F87.1Confident85Confident34 Ų3468.6 Ų68.615%0.14937%0.366CS..G310 helixtrans-66.7-43.1-178.2174.7-109.6000111.7V47 M51 I53 V71 R75 S76 H79V47-F73 HydrophobicContact CG1-CD1 3.81Å; V47-F73 HydrophobicContact CG1-CE1 4.41Å; M51-F73 HydrophobicContact CB-CB 4.22Å; M51-F73 HydrophobicContact CE-CD1 3.71Å; M51-F73 HydrophobicContact CE-CE1 3.95Å; M51-F73 HydrophobicContact CE-CG 4.04Å; M51-F73 HydrophobicContact CE-CZ 4.45Å; M51-F73 HydrophobicContact CG-CB 3.85Å; M51-F73 HydrophobicContact CG-CD1 4.12Å; M51-F73 HydrophobicContact CG-CG 4.2Å; M51-F73 WeakPolarHBondContact O-CB 3.2Å; M51-F73 PolarHBondContact O-N 3.38Å; M51-F73 HydrophobicContact SD-CB 4.5Å; M51-F73 HydrophobicContact SD-CD1 3.64Å; M51-F73 HydrophobicContact SD-CE1 4.21Å; M51-F73 HydrophobicContact SD-CG 4.24Å; I53-F73 HydrophobicContact CB-CD2 4.13Å; I53-F73 HydrophobicContact CD1-CD2 4.22Å; I53-F73 HydrophobicContact CD1-CE2 4.46Å; I53-F73 HydrophobicContact CG2-CD2 4.29Å; V71-F73 PolarHBondContact O-N 3.04Å; F73-R75 PolarHBondContact O-N 3.41Å; F73-S76 WeakPolarHBondContact O-CB 3.39Å; F73-S76 PolarHBondContact O-N 3.3Å; F73-S76 PolarHBondContact O-OG 3.2Å; F73-H79 HydrophobicContact CD2-CB 4.29Å; F73-H79 HydrophobicContact CE1-CB 4.45Å; F73-H79 AromaticContact CE1-CE1 3.94Å; F73-H79 AromaticContact CE1-CG 3.86Å; F73-H79 AromaticContact CE1-ND1 3.69Å; F73-H79 HydrophobicContact CE2-CB 3.89Å; F73-H79 HydrophobicContact CZ-CB 3.98Å; F73-H79 AromaticContact CZ-CG 3.71Å; F73-H79 AromaticContact CZ-ND1 3.45Å; F73-H79 WeakPolarHBondContact CZ-ND1 3.25Å; F73-H79 VanDerWaalsContact O-CB 3.29Å; F73-H79 WeakPolarHBondContact O-CB 3.43Å
74A86.8Confident85.5Confident12 Ų1263.4 Ų63.410%0.09934%0.339CS..G310 helixtrans-53.2-25.2-176.800000114.6I44 V47 H79I44-A74 HydrophobicContact CG2-CB 4.27Å; V47-A74 HydrophobicContact CB-CB 3.83Å; V47-A74 HydrophobicContact CG1-CB 3.7Å; A74-H79 PolarHBondContact O-CD2 2.69Å
75R86.1Confident86.3Confident77 Ų7767.2 Ų67.229%0.29135%0.346SS..G310 helixtrans-128.220179.5-65.4-174.8178.3-14922.7112.5I44 F73 L157 D160I44-R75 HydrophobicContact CG2-CG 4.15Å; F73-R75 PolarHBondContact O-N 3.41Å; R75-L157 WeakPolarHBondContact CD-O 3.32Å; R75-L157 PolarHBondContact NH1-O 3.34Å; R75-D160 IonicContact CZ-OD1 3.81Å; R75-D160 VanDerWaalsContact CZ-OD1 3.23Å; R75-D160 VanDerWaalsContact NH1-CA 3.27Å; R75-D160 IonicContact NH1-OD1 2.68Å; R75-D160 PolarHBondContact NH1-OD1 3.36Å; R75-D160 IonicContact NH2-OD1 3.38Å; R75-D160 PolarHBondContact NH2-OD1 3.23Å
76S89.5Confident86.9Confident7 Ų765.9 Ų65.95%0.04935%0.345CS..  trans-71.6142.7172.666.40000109.6P72 F73 T78 H79 L80P72-S76 PolarHBondContact O-N 3Å; F73-S76 WeakPolarHBondContact O-CB 3.39Å; F73-S76 PolarHBondContact O-N 3.3Å; F73-S76 PolarHBondContact O-OG 3.2Å; S76-T78 VanDerWaalsContact C-N 3.26Å; S76-T78 PolarHBondContact O-N 3.26Å; S76-H79 PolarHBondContact O-N 3.46Å; S76-H79 WeakPolarHBondContact OG-CB 3.46Å; S76-H79 PolarHBondContact OG-N 3.15Å; S76-L80 WeakPolarHBondContact O-CG 3.22Å; S76-L80 PolarHBondContact O-N 3.35Å
77E89.7Confident88Confident140 Ų14061.1 Ų61.165%0.65432%0.322SS*.Hα-helixtrans-50.1-47.5177.6173.3177.2168.800111.7H79 L80 S81 I154E77-H79 VanDerWaalsContact C-N 3.32Å; E77-H79 PolarHBondContact O-N 2.95Å; E77-L80 PolarHBondContact O-N 3.39Å; E77-S81 PolarHBondContact O-N 3.48Å; E77-S81 PolarHBondContact O-OG 2.91Å; E77-I154 HydrophobicContact CB-CG2 4.12Å; E77-I154 HydrophobicContact CG-CG2 3.98Å
78T89.8Confident89.3Confident75 Ų7558.2 Ų58.246%0.4631%0.305SS..Hα-helixtrans-55.2-45.4176.4-50.60000112.7S76 E82S76-T78 VanDerWaalsContact C-N 3.26Å; S76-T78 PolarHBondContact O-N 3.26Å; T78-E82 WeakPolarHBondContact O-CG 3.23Å; T78-E82 PolarHBondContact O-N 3.42Å; T78-E82 VanDerWaalsContact O-N 3.14Å
79H92.3Very high90.3Very high16 Ų1658.2 Ų58.27%0.07431%0.305CS..Hα-helixtrans-70.1-39.6179.7-174.947000112.1F73 A74 S76 E77 E82 L83F73-H79 HydrophobicContact CD2-CB 4.29Å; F73-H79 HydrophobicContact CE1-CB 4.45Å; F73-H79 AromaticContact CE1-CE1 3.94Å; F73-H79 AromaticContact CE1-CG 3.86Å; F73-H79 AromaticContact CE1-ND1 3.69Å; F73-H79 HydrophobicContact CE2-CB 3.89Å; F73-H79 HydrophobicContact CZ-CB 3.98Å; F73-H79 AromaticContact CZ-CG 3.71Å; F73-H79 AromaticContact CZ-ND1 3.45Å; F73-H79 WeakPolarHBondContact CZ-ND1 3.25Å; F73-H79 VanDerWaalsContact O-CB 3.29Å; F73-H79 WeakPolarHBondContact O-CB 3.43Å; A74-H79 PolarHBondContact O-CD2 2.69Å; S76-H79 PolarHBondContact O-N 3.46Å; S76-H79 WeakPolarHBondContact OG-CB 3.46Å; S76-H79 PolarHBondContact OG-N 3.15Å; E77-H79 VanDerWaalsContact C-N 3.32Å; E77-H79 PolarHBondContact O-N 2.95Å; H79-E82 IonicContact ND1-OE2 2.72Å; H79-E82 PolarHBondContact O-N 2.79Å; H79-L83 WeakPolarHBondContact O-CG 3.45Å; H79-L83 PolarHBondContact O-N 3.45Å
80L92.6Very high91Very high1 Ų152.7 Ų52.71%0.00528%0.283CS..Hα-helixtrans-65.7-39.8178.4-65.9177.3000111.7I44 S76 E77 L83 L84 I154 L157I44-L80 HydrophobicContact CD1-CD2 3.59Å; I44-L80 HydrophobicContact CG1-CD2 4.02Å; S76-L80 WeakPolarHBondContact O-CG 3.22Å; S76-L80 PolarHBondContact O-N 3.35Å; E77-L80 PolarHBondContact O-N 3.39Å; L80-L83 HydrophobicContact CD2-CD1 4.49Å; L80-L83 PolarHBondContact O-N 2.91Å; L80-L84 WeakPolarHBondContact O-CG 3.36Å; L80-L84 PolarHBondContact O-N 2.92Å; L80-I154 HydrophobicContact CB-CG1 4.05Å; L80-I154 HydrophobicContact CD1-CG2 4.34Å; L80-L157 HydrophobicContact CD1-CB 3.98Å; L80-L157 HydrophobicContact CD2-CB 4.33Å; L80-L157 HydrophobicContact CD2-CD1 4.44Å
81S93.8Very high91.7Very high28 Ų2846 Ų4620%0.19625%0.254CS..Hα-helixtrans-61-44.8172.5-63.20000111.9E77 L83 L84 D85 I154E77-S81 PolarHBondContact O-N 3.48Å; E77-S81 PolarHBondContact O-OG 2.91Å; S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.18Å; S81-L84 WeakPolarHBondContact O-CB 3.09Å; S81-L84 PolarHBondContact O-N 2.04Å; S81-L84 VanDerWaalsContact O-N 3.16Å; S81-D85 PolarHBondContact O-N 3.44Å; S81-D85 VanDerWaalsContact O-N 3.15Å; S81-I154 VanDerWaalsContact OG-CD1 3.3Å; S81-I154 WeakPolarHBondContact OG-CD1 3.49Å
82E93.8Very high92.1Very high114 Ų11447.5 Ų47.553%0.53327%0.266SS..Hα-helixtrans-60.4-37.7175.7-73.7173.717800112.6T78 H79T78-E82 WeakPolarHBondContact O-CG 3.23Å; T78-E82 PolarHBondContact O-N 3.42Å; T78-E82 VanDerWaalsContact O-N 3.14Å; H79-E82 IonicContact ND1-OE2 2.72Å; H79-E82 PolarHBondContact O-N 2.79Å
83L94.9Very high92.5Very high32 Ų3245.9 Ų45.917%0.16825%0.253CS..Hα-helixtrans-69.5-37176.4-68.9179000112L40 I44 H79 L80 S81 D85 G86 V87L40-L83 HydrophobicContact CD2-CB 3.52Å; L40-L83 HydrophobicContact CD2-CD1 4.37Å; I44-L83 HydrophobicContact CG1-CD1 3.97Å; H79-L83 WeakPolarHBondContact O-CG 3.45Å; H79-L83 PolarHBondContact O-N 3.45Å; L80-L83 HydrophobicContact CD2-CD1 4.49Å; L80-L83 PolarHBondContact O-N 2.91Å; S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.18Å; L83-D85 VanDerWaalsContact C-N 3.34Å; L83-G86 PolarHBondContact O-N 2.04Å; L83-V87 PolarHBondContact O-N 3.38Å; L83-V87 VanDerWaalsContact O-N 3.1Å
84L95.6Very high92.8Very high4 Ų444.9 Ų44.92%0.02125%0.248CC..Hα-helixtrans-63.9-37.7178.1-77.1170.7000112.3I36 L40 L80 S81 G86 V87 V146 E150 I153 I154I36-L84 HydrophobicContact CG2-CD2 4.4Å; L40-L84 HydrophobicContact CD1-CD2 3.73Å; L40-L84 HydrophobicContact CD1-CG 4.44Å; L40-L84 HydrophobicContact CD2-CD2 4.33Å; L40-L84 HydrophobicContact CD2-CG 4.47Å; L80-L84 WeakPolarHBondContact O-CG 3.36Å; L80-L84 PolarHBondContact O-N 2.92Å; S81-L84 WeakPolarHBondContact O-CB 3.09Å; S81-L84 PolarHBondContact O-N 2.04Å; S81-L84 VanDerWaalsContact O-N 3.16Å; L84-G86 PolarHBondContact O-N 2.97Å; L84-V87 HydrophobicContact CD2-CG1 4.48Å; L84-V87 WeakPolarHBondContact O-CG1 3.44Å; L84-V87 PolarHBondContact O-N 2.96Å; L84-V146 HydrophobicContact CB-CG1 4.13Å; L84-V146 HydrophobicContact CD2-CG1 4.28Å; L84-V146 HydrophobicContact CD2-CG2 4.18Å; L84-E150 HydrophobicContact CD1-CG 3.93Å; L84-I153 HydrophobicContact CD1-CB 4.48Å; L84-I153 HydrophobicContact CD1-CG2 4.29Å; L84-I153 HydrophobicContact CD2-CD1 3.96Å; L84-I153 HydrophobicContact CD2-CG2 4.02Å; L84-I154 HydrophobicContact CD1-CD1 4.2Å; L84-I154 HydrophobicContact CD1-CG1 3.9Å
85D93.8Very high93.1Very high137 Ų13744.6 Ų44.673%0.73325%0.246SC*.Hα-helixtrans-58.2-32.2177.8-73.1-19.5000113S81 L83S81-D85 PolarHBondContact O-N 3.44Å; S81-D85 VanDerWaalsContact O-N 3.15Å; L83-D85 VanDerWaalsContact C-N 3.34Å
86G93.6Very high93.5Very high39 Ų3942.1 Ų42.140%0.40224%0.238SC..Hα-helixtrans-103.4-11.2-176.900000115.2L83 L84 C88 D89L83-G86 PolarHBondContact O-N 2.04Å; L84-G86 PolarHBondContact O-N 2.97Å; G86-C88 VanDerWaalsContact C-N 3.27Å; G86-C88 PolarHBondContact O-N 3.44Å; G86-D89 PolarHBondContact O-N 3.19Å
87V95.9Very high93.6Very high9 Ų943.2 Ų43.26%0.05524%0.242CC..Hα-helixtrans-62.4-35.2-168.675.30000112.4I36 E39 L40 L83 L84 D89 S90 V146I36-V87 HydrophobicContact CG1-CG1 4.36Å; I36-V87 HydrophobicContact CG2-CG1 4.44Å; E39-V87 HydrophobicContact CB-CG2 3.55Å; E39-V87 HydrophobicContact CG-CG2 4.38Å; L40-V87 HydrophobicContact CD2-CG2 4.36Å; L40-V87 HydrophobicContact CG-CG2 4.26Å; L83-V87 PolarHBondContact O-N 3.38Å; L83-V87 VanDerWaalsContact O-N 3.1Å; L84-V87 HydrophobicContact CD2-CG1 4.48Å; L84-V87 WeakPolarHBondContact O-CG1 3.44Å; L84-V87 PolarHBondContact O-N 2.96Å; V87-D89 VanDerWaalsContact C-N 3.28Å; V87-D89 PolarHBondContact O-N 3.39Å; V87-S90 WeakPolarHBondContact O-CB 3.07Å; V87-S90 PolarHBondContact O-N 2.86Å; V87-S90 PolarHBondContact O-OG 2.93Å; V87-V146 HydrophobicContact CG1-CG2 3.76Å
88C97.1Very high93.8Very high9 Ų940.3 Ų40.36%0.06123%0.227CC..G310 helixtrans-74.2-15.6-175.9-61.20000114.2G86 S90 M91 K139 C142 E143G86-C88 VanDerWaalsContact C-N 3.27Å; G86-C88 PolarHBondContact O-N 3.44Å; C88-S90 PolarHBondContact O-N 3.28Å; C88-M91 WeakPolarHBondContact O-CB 3.01Å; C88-M91 VanDerWaalsContact O-CG 3.28Å; C88-M91 WeakPolarHBondContact O-CG 3.2Å; C88-M91 PolarHBondContact O-N 3.4Å; C88-K139 HydrophobicContact CB-CG 4.47Å; C88-C142 WeakPolarHBondContact CA-SG 3.19Å; C88-C142 HydrophobicContact CB-CB 3.79Å; C88-C142 WeakPolarHBondContact CB-SG 3.43Å; C88-C142 WeakPolarHBondContact SG-CB 3.47Å; C88-C142 CovalentContact SG-SG 2.05Å; C88-C142 PolarHBondContact SG-SG 3.03Å; C88-E143 HydrophobicContact CB-CG 4.03Å; C88-E143 PolarHBondContact SG-N 3.05Å
89D94.8Very high93.8Very high102 Ų10238.2 Ų38.255%0.54521%0.213SC..G310 helixtrans-67.2-28.4172.3-75-25.8000111.9G86 V87 M91 S92 K139G86-D89 PolarHBondContact O-N 3.19Å; V87-D89 VanDerWaalsContact C-N 3.28Å; V87-D89 PolarHBondContact O-N 3.39Å; D89-M91 PolarHBondContact O-N 3.37Å; D89-S92 PolarHBondContact O-OG 2.97Å; D89-K139 IonicContact OD1-NZ 2.72Å; D89-K139 PolarHBondContact OD1-NZ 2.99Å
90S93.7Very high93.7Very high17 Ų1740.3 Ų40.312%0.11923%0.228CC..G310 helixtrans-68.1-13.5176.873.40000113.8E39 V87 C88 S92 D93 Y94E39-S90 WeakPolarHBondContact CG-OG 3.21Å; V87-S90 WeakPolarHBondContact O-CB 3.07Å; V87-S90 PolarHBondContact O-N 2.86Å; V87-S90 PolarHBondContact O-OG 2.93Å; C88-S90 PolarHBondContact O-N 3.28Å; S90-S92 PolarHBondContact O-N 3.15Å; S90-S92 VanDerWaalsContact O-N 3.11Å; S90-D93 VanDerWaalsContact O-CB 3.31Å; S90-D93 WeakPolarHBondContact O-CB 3.07Å; S90-D93 PolarHBondContact O-N 3.37Å; S90-Y94 WeakPolarHBondContact O-CD2 3.3Å
91M94.8Very high93.5Very high0 Ų047 Ų470%026%0.263CS..G310 helixtrans-65-16.8-178-61.6-61.5134.900113A35 I36 C88 D89 D93 Y94 L138 K139 C142A35-M91 HydrophobicContact CB-CE 3.68Å; A35-M91 HydrophobicContact CB-SD 3.84Å; I36-M91 HydrophobicContact CG1-CE 4.43Å; C88-M91 WeakPolarHBondContact O-CB 3.01Å; C88-M91 VanDerWaalsContact O-CG 3.28Å; C88-M91 WeakPolarHBondContact O-CG 3.2Å; C88-M91 PolarHBondContact O-N 3.4Å; D89-M91 PolarHBondContact O-N 3.37Å; M91-D93 PolarHBondContact O-N 3.45Å; M91-Y94 PolarHBondContact O-N 3.39Å; M91-L138 HydrophobicContact CB-CD2 4.04Å; M91-L138 HydrophobicContact CB-CG 4.18Å; M91-L138 HydrophobicContact CG-CD2 4.38Å; M91-L138 HydrophobicContact CG-CG 4.29Å; M91-L138 HydrophobicContact SD-CD2 3.73Å; M91-L138 HydrophobicContact SD-CG 3.83Å; M91-K139 HydrophobicContact CB-CB 4.14Å; M91-C142 HydrophobicContact CE-CB 4.3Å; M91-C142 HydrophobicContact CG-CB 3.77Å; M91-C142 HydrophobicContact SD-CB 4.13Å
92S93.3Very high93.3Very high64 Ų6449 Ų4945%0.44828%0.275SS..G310 helixtrans-67.1-19.8171.459.10000114.1D89 S90 Y94 F110 S135D89-S92 PolarHBondContact O-OG 2.97Å; S90-S92 PolarHBondContact O-N 3.15Å; S90-S92 VanDerWaalsContact O-N 3.11Å; S92-Y94 VanDerWaalsContact C-N 3.26Å; S92-F110 WeakPolarHBondContact O-CE1 3.46Å; S92-F110 WeakPolarHBondContact O-CZ 3.41Å; S92-S135 WeakPolarHBondContact CA-OG 3.37Å
93D93.1Very high92.9Very high46 Ų4649.5 Ų49.525%0.24628%0.277CS..G310 helixtrans-89.75.3179.2-60.5-31.7000112.5S90 M91 R109 F110 A111S90-D93 VanDerWaalsContact O-CB 3.31Å; S90-D93 WeakPolarHBondContact O-CB 3.07Å; S90-D93 PolarHBondContact O-N 3.37Å; M91-D93 PolarHBondContact O-N 3.45Å; D93-R109 HydrophobicContact CB-CG 4.3Å; D93-R109 VanDerWaalsContact CB-CZ 3.45Å; D93-R109 VanDerWaalsContact CB-NH1 3.29Å; D93-R109 VanDerWaalsContact CG-NH2 3.27Å; D93-R109 CarbonylContact O-C 3.55Å; D93-R109 WeakPolarHBondContact O-CA 3.5Å; D93-R109 IonicContact OD2-CZ 3.72Å; D93-R109 IonicContact OD2-NH1 3.65Å; D93-R109 PolarHBondContact OD2-NH1 3.38Å; D93-R109 IonicContact OD2-NH2 2.69Å; D93-R109 PolarHBondContact OD2-NH2 2.98Å; D93-F110 VanDerWaalsContact C-CD1 3.46Å; D93-F110 WeakPolarHBondContact O-CD1 3.34Å; D93-F110 WeakPolarHBondContact O-CE1 3.49Å; D93-F110 PolarHBondContact O-N 3.45Å; D93-A111 HydrophobicContact CB-CB 3.78Å; D93-A111 PolarHBondContact O-N 3.18Å
94Y93.8Very high92.5Very high13 Ų1354 Ų545%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-110144.4178.5-72.5-108.1000110.9A35 E39 S90 M91 S92 R108 R109 L138A35-Y94 HydrophobicContact CB-CD1 4.16Å; A35-Y94 HydrophobicContact CB-CE1 3.57Å; A35-Y94 HydrophobicContact CB-CE2 4.31Å; E39-Y94 HydrophobicContact CG-CE2 4.37Å; E39-Y94 WeakPolarHBondContact OE1-CE2 3.29Å; E39-Y94 PolarHBondContact OE1-OH 2.95Å; S90-Y94 WeakPolarHBondContact O-CD2 3.3Å; M91-Y94 PolarHBondContact O-N 3.39Å; S92-Y94 VanDerWaalsContact C-N 3.26Å; Y94-R108 WeakPolarHBondContact CA-O 3.39Å; Y94-R108 VanDerWaalsContact CD1-C 3.42Å; Y94-R109 HydrophobicContact CD1-CB 4.11Å; Y94-R109 VanDerWaalsContact CD1-N 3.26Å; Y94-R109 HydrophobicContact CD2-CB 4.4Å; Y94-R109 HydrophobicContact CD2-CG 4.33Å; Y94-R109 HydrophobicContact CE1-CB 3.78Å; Y94-R109 HydrophobicContact CE2-CB 4.11Å; Y94-R109 HydrophobicContact CE2-CG 4.02Å; Y94-R109 HydrophobicContact CG-CB 4.39Å; Y94-L138 HydrophobicContact CG-CD2 3.99Å
95A94Very high92.3Very high7 Ų759.9 Ų59.96%0.05832%0.322CS..EExtended strand (participates in β ladder)trans-141.2160.7175.900000110.3Y97 Y107 R108 F110 F127 F129A95-Y97 PolarHBondContact O-N 3.49Å; A95-Y107 WeakPolarHBondContact O-CA 3.48Å; A95-R108 PolarHBondContact N-O 3.02Å; A95-R108 PolarHBondContact O-N 2.88Å; A95-F110 HydrophobicContact CB-CD1 3.58Å; A95-F110 HydrophobicContact CB-CE1 4Å; A95-F127 HydrophobicContact CB-CD1 3.92Å; A95-F129 HydrophobicContact CB-CD1 3.87Å; A95-F129 HydrophobicContact CB-CE1 3.61Å; A95-F129 HydrophobicContact CB-CZ 4.33Å
96L93.4Very high92.2Very high25 Ų2556.3 Ų56.313%0.13130%0.301CS..EExtended strand (participates in β ladder)trans-65.9125.1178.8-170.868000109.3K105 Y107 F127 K128L96-K105 HydrophobicContact CD1-CB 4.13Å; L96-Y107 HydrophobicContact CD1-CD2 4.1Å; L96-Y107 HydrophobicContact CD1-CE2 3.94Å; L96-F127 CarbonylContact O-C 3.55Å; L96-F127 WeakPolarHBondContact O-CA 3.37Å; L96-K128 HydrophobicContact CB-CB 4.39Å; L96-K128 HydrophobicContact CD2-CD 4.36Å; L96-K128 PolarHBondContact O-N 3.08Å
97Y93.1Very high92.2Very high30 Ų3056 Ų5612%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-114.8135.6179.2179.3-95.5000109.8A95 D99 K105 Q106 R108 N126 F127A95-Y97 PolarHBondContact O-N 3.49Å; Y97-D99 HydrophobicContact CE1-CB 4.17Å; Y97-K105 WeakPolarHBondContact O-CA 3.35Å; Y97-Q106 WeakPolarHBondContact CA-O 3.21Å; Y97-Q106 WeakPolarHBondContact CB-O 3.48Å; Y97-Q106 PolarHBondContact N-O 3.32Å; Y97-Q106 PolarHBondContact O-N 3.01Å; Y97-R108 HydrophobicContact CG-CB 4.33Å; Y97-N126 HydrophobicContact CD2-CB 3.91Å; Y97-N126 HydrophobicContact CE2-CB 3.44Å; Y97-N126 VanDerWaalsContact CE2-CB 3.44Å; Y97-N126 PolarHBondContact OH-ND2 3Å; Y97-F127 HydrophobicContact CD2-CD1 4.21Å; Y97-F127 AromaticContact CD2-CD2 3.72Å; Y97-F127 HydrophobicContact CD2-CD2 3.72Å; Y97-F127 HydrophobicContact CD2-CE1 4.05Å; Y97-F127 AromaticContact CD2-CE2 3.53Å; Y97-F127 HydrophobicContact CD2-CE2 3.53Å; Y97-F127 HydrophobicContact CD2-CG 4.1Å; Y97-F127 AromaticContact CD2-CZ 3.73Å; Y97-F127 HydrophobicContact CD2-CZ 3.73Å; Y97-F127 HydrophobicContact CE2-CD2 4.22Å; Y97-F127 AromaticContact CE2-CE2 3.93Å; Y97-F127 HydrophobicContact CE2-CE2 3.93Å; Y97-F127 HydrophobicContact CE2-CZ 4.43Å; Y97-F127 HydrophobicContact CG-CZ 4.47Å
98F92.8Very high92Very high79 Ų7961.3 Ų61.335%0.34631%0.307SS..EExtended strand (participates in β ladder)trans-103.8112.9174-172.9-98.7000110P100 H103 K105 N126F98-P100 WeakPolarHBondContact O-CD 3.16Å; F98-H103 HydrophobicContact CE2-CB 4.34Å; F98-H103 VanDerWaalsContact CE2-O 3.26Å; F98-H103 WeakPolarHBondContact CE2-O 3.35Å; F98-H103 HydrophobicContact CZ-CB 3.77Å; F98-H103 AromaticContact CZ-CD2 3.76Å; F98-K105 HydrophobicContact CD2-CG 3.88Å; F98-K105 HydrophobicContact CE2-CG 4.48Å; F98-N126 PolarHBondContact N-O 2.84Å; F98-N126 VanDerWaalsContact O-CB 3.32Å; F98-N126 WeakPolarHBondContact O-CB 3.42Å
99D89.8Confident91.8Very high31 Ų3162.6 Ų62.617%0.16631%0.311CS..  trans-70.2120.8176.8-174.3-31.8000110.1Y97 D101 T102 H103 H104Y97-D99 HydrophobicContact CE1-CB 4.17Å; D99-D101 VanDerWaalsContact C-N 3.26Å; D99-D101 PolarHBondContact O-N 3.36Å; D99-D101 WeakPolarHBondContact OD1-CA 3.32Å; D99-D101 WeakPolarHBondContact OD1-CB 3.46Å; D99-D101 PolarHBondContact OD1-N 3.03Å; D99-T102 WeakPolarHBondContact CB-OG1 3.32Å; D99-T102 PolarHBondContact OD1-N 3.39Å; D99-T102 PolarHBondContact OD2-OG1 3.34Å; D99-H103 WeakPolarHBondContact O-CA 3.19Å; D99-H103 PolarHBondContact O-N 3.36Å; D99-H104 PolarHBondContact N-O 3.34Å
100P89.5Confident91.7Very high60 Ų6060 Ų6039%0.3930%0.295SS..THydrogen-bonded Turntrans-70.7-23.7-177.630.8-34.9000112.8F98 H103 N126F98-P100 WeakPolarHBondContact O-CD 3.16Å; P100-H103 PolarHBondContact O-CE1 3.15Å; P100-N126 WeakPolarHBondContact CD-ND2 3.43Å
101D89.3Confident91.5Very high140 Ų14060.1 Ų60.175%0.74930%0.296SS*.THydrogen-bonded Turntrans-88.6-54.3-177.6-60.2-45.7000109.7D99 H103D99-D101 VanDerWaalsContact C-N 3.26Å; D99-D101 PolarHBondContact O-N 3.36Å; D99-D101 WeakPolarHBondContact OD1-CA 3.32Å; D99-D101 WeakPolarHBondContact OD1-CB 3.46Å; D99-D101 PolarHBondContact OD1-N 3.03Å; D101-H103 PolarHBondContact O-ND1 3.19Å
102T88.8Confident91.2Very high70 Ų7061.3 Ų61.343%0.42930%0.304SS..THydrogen-bonded Turntrans-85.3-13.4-176.466.80000113.8D99 H104D99-T102 WeakPolarHBondContact CB-OG1 3.32Å; D99-T102 PolarHBondContact OD1-N 3.39Å; D99-T102 PolarHBondContact OD2-OG1 3.34Å; T102-H104 PolarHBondContact O-CD2 3.34Å; T102-H104 PolarHBondContact O-N 3.16Å; T102-H104 VanDerWaalsContact O-N 3.08Å; T102-H104 PolarHBondContact OG1-N 3.1Å
103H85.9Confident90.9Very high126 Ų12661 Ų6158%0.58329%0.294SS*.  trans57.714.8-173-60.669000113.7F98 D99 P100 D101F98-H103 HydrophobicContact CE2-CB 4.34Å; F98-H103 VanDerWaalsContact CE2-O 3.26Å; F98-H103 WeakPolarHBondContact CE2-O 3.35Å; F98-H103 HydrophobicContact CZ-CB 3.77Å; F98-H103 AromaticContact CZ-CD2 3.76Å; D99-H103 WeakPolarHBondContact O-CA 3.19Å; D99-H103 PolarHBondContact O-N 3.36Å; P100-H103 PolarHBondContact O-CE1 3.15Å; D101-H103 PolarHBondContact O-ND1 3.19Å
104H87.7Confident90.3Very high126 Ų12663.6 Ų63.658%0.58331%0.306SS*.  trans-85145.4177.7-71.1-175.2000110.8D99 T102D99-H104 PolarHBondContact N-O 3.34Å; T102-H104 PolarHBondContact O-CD2 3.34Å; T102-H104 PolarHBondContact O-N 3.16Å; T102-H104 VanDerWaalsContact O-N 3.08Å; T102-H104 PolarHBondContact OG1-N 3.1Å
105K90.6Very high89.3Confident127 Ų12768.8 Ų68.855%0.55234%0.344SS*.EExtended strand (participates in β ladder)trans-97.7136.3173.9-67.8175.3-176.8176.20108.9V27 L96 Y97 F98V27-K105 HydrophobicContact CG1-CB 4.49Å; V27-K105 WeakPolarHBondContact CG1-O 3.45Å; L96-K105 HydrophobicContact CD1-CB 4.13Å; Y97-K105 WeakPolarHBondContact O-CA 3.35Å; F98-K105 HydrophobicContact CD2-CG 3.88Å; F98-K105 HydrophobicContact CE2-CG 4.48Å
106Q91.8Very high88Confident63 Ų6372.6 Ų72.629%0.29438%0.384SS..EExtended strand (participates in β ladder)trans-154154.8173.559.2-176.1-1300109.9Y97Y97-Q106 WeakPolarHBondContact CA-O 3.21Å; Y97-Q106 WeakPolarHBondContact CB-O 3.48Å; Y97-Q106 PolarHBondContact N-O 3.32Å; Y97-Q106 PolarHBondContact O-N 3.01Å
107Y93.4Very high87Confident33 Ų3372.9 Ų72.913%0.12939%0.388CS..EExtended strand (participates in β ladder)trans-78.7133.5170.1-73.3-106.4000109.6L28 S31 A95 L96 A134 L138L28-Y107 HydrophobicContact CD1-CD2 4.22Å; L28-Y107 HydrophobicContact CD1-CE2 3.53Å; S31-Y107 PolarHBondContact OG-N 3.06Å; A95-Y107 WeakPolarHBondContact O-CA 3.48Å; L96-Y107 HydrophobicContact CD1-CD2 4.1Å; L96-Y107 HydrophobicContact CD1-CE2 3.94Å; Y107-A134 HydrophobicContact CE1-CB 4.48Å; Y107-A134 WeakPolarHBondContact CE1-O 3.43Å; Y107-A134 PolarHBondContact OH-O 3.22Å; Y107-L138 HydrophobicContact CD1-CB 4.25Å; Y107-L138 HydrophobicContact CD1-CD1 4.19Å; Y107-L138 HydrophobicContact CD1-CD2 3.74Å; Y107-L138 HydrophobicContact CD1-CG 4.29Å; Y107-L138 HydrophobicContact CD2-CD1 4.14Å; Y107-L138 HydrophobicContact CE1-CB 4.13Å; Y107-L138 HydrophobicContact CE1-CD2 4.42Å; Y107-L138 HydrophobicContact CG-CD1 3.89Å; Y107-L138 HydrophobicContact CG-CD2 4.05Å; Y107-L138 HydrophobicContact CG-CG 4.46Å
108R92.6Very high85.8Confident120 Ų12076.3 Ų76.345%0.45342%0.417SS..EExtended strand (participates in β ladder)trans-132.9147178-172.9175.3-177.9170.32.8109.4Y94 A95 Y97 F110 F127Y94-R108 WeakPolarHBondContact CA-O 3.39Å; Y94-R108 VanDerWaalsContact CD1-C 3.42Å; A95-R108 PolarHBondContact N-O 3.02Å; A95-R108 PolarHBondContact O-N 2.88Å; Y97-R108 HydrophobicContact CG-CB 4.33Å; R108-F110 PolarHBondContact O-N 3.39Å; R108-F127 HydrophobicContact CB-CE1 3.91Å; R108-F127 HydrophobicContact CB-CZ 4.11Å; R108-F127 HydrophobicContact CG-CE1 4.42Å; R108-F127 HydrophobicContact CG-CZ 4.15Å; R108-F127 WeakPolarHBondContact O-CE1 3.47Å
109R92.7Very high84.5Confident36 Ų3680 Ų8014%0.13644%0.435CS..EExtended strand (participates in β ladder)trans-65.1130.5174.8-161.9174.9173.879.215.3110E39 D93 Y94 A111E39-R109 IonicContact OE1-CZ 2.74Å; E39-R109 IonicContact OE1-NE 2.86Å; E39-R109 IonicContact OE1-NH1 3.33Å; E39-R109 PolarHBondContact OE1-NH1 2.65Å; D93-R109 HydrophobicContact CB-CG 4.3Å; D93-R109 VanDerWaalsContact CB-CZ 3.45Å; D93-R109 VanDerWaalsContact CB-NH1 3.29Å; D93-R109 VanDerWaalsContact CG-NH2 3.27Å; D93-R109 CarbonylContact O-C 3.55Å; D93-R109 WeakPolarHBondContact O-CA 3.5Å; D93-R109 IonicContact OD2-CZ 3.72Å; D93-R109 IonicContact OD2-NH1 3.65Å; D93-R109 PolarHBondContact OD2-NH1 3.38Å; D93-R109 IonicContact OD2-NH2 2.69Å; D93-R109 PolarHBondContact OD2-NH2 2.98Å; Y94-R109 HydrophobicContact CD1-CB 4.11Å; Y94-R109 VanDerWaalsContact CD1-N 3.26Å; Y94-R109 HydrophobicContact CD2-CB 4.4Å; Y94-R109 HydrophobicContact CD2-CG 4.33Å; Y94-R109 HydrophobicContact CE1-CB 3.78Å; Y94-R109 HydrophobicContact CE2-CB 4.11Å; Y94-R109 HydrophobicContact CE2-CG 4.02Å; Y94-R109 HydrophobicContact CG-CB 4.39Å; R109-A111 WeakPolarHBondContact CG-O 3.04Å; R109-A111 PolarHBondContact NE-O 3.06Å; R109-A111 PolarHBondContact NH2-O 2.92Å
110F91.4Very high83.6Confident47 Ų4784.6 Ų84.621%0.20646%0.46CS..  trans-112.2-21.2176.171.4-95000112.7S92 D93 A95 R108 P122 F124 F127 F129S92-F110 WeakPolarHBondContact O-CE1 3.46Å; S92-F110 WeakPolarHBondContact O-CZ 3.41Å; D93-F110 VanDerWaalsContact C-CD1 3.46Å; D93-F110 WeakPolarHBondContact O-CD1 3.34Å; D93-F110 WeakPolarHBondContact O-CE1 3.49Å; D93-F110 PolarHBondContact O-N 3.45Å; A95-F110 HydrophobicContact CB-CD1 3.58Å; A95-F110 HydrophobicContact CB-CE1 4Å; R108-F110 PolarHBondContact O-N 3.39Å; F110-P122 HydrophobicContact CB-CG 4.43Å; F110-P122 WeakPolarHBondContact O-CD 3.42Å; F110-F124 HydrophobicContact CB-CE1 4.13Å; F110-F124 HydrophobicContact CD2-CE1 4.25Å; F110-F127 HydrophobicContact CB-CD1 4.2Å; F110-F127 HydrophobicContact CB-CE1 3.88Å; F110-F127 HydrophobicContact CB-CZ 4.15Å; F110-F129 AromaticContact CD1-CE1 3.96Å; F110-F129 HydrophobicContact CD1-CE1 3.96Å; F110-F129 HydrophobicContact CD2-CE1 4.23Å; F110-F129 HydrophobicContact CD2-CZ 4.49Å; F110-F129 HydrophobicContact CE1-CE1 4.1Å; F110-F129 HydrophobicContact CE2-CE1 4.38Å; F110-F129 HydrophobicContact CG-CE1 4.04Å; F110-F129 HydrophobicContact CG-CZ 4.31Å; F110-F129 HydrophobicContact CZ-CE1 4.32Å
111A90.5Very high83.1Confident19 Ų1986.7 Ų86.716%0.15746%0.463CS..SBendtrans-96.2140.4179.900000111.5D93 R109D93-A111 HydrophobicContact CB-CB 3.78Å; D93-A111 PolarHBondContact O-N 3.18Å; R109-A111 WeakPolarHBondContact CG-O 3.04Å; R109-A111 PolarHBondContact NE-O 3.06Å; R109-A111 PolarHBondContact NH2-O 2.92Å
112P88.6Confident82.9Confident26 Ų2681.6 Ų81.617%0.16944%0.437CS..  trans-62.7152.417727.1-35.3000110.8I114 F121P112-I114 VanDerWaalsContact C-N 3.33Å; P112-F121 VanDerWaalsContact CD-CZ 3.49Å; P112-F121 HydrophobicContact CG-CE1 3.95Å; P112-F121 HydrophobicContact CG-CE2 3.96Å; P112-F121 HydrophobicContact CG-CZ 3.58Å
113R86.1Confident82.8Confident58 Ų5883.6 Ų83.622%0.21945%0.446CS..SBendtrans-77-22.5177.4-63.1-179.7168.3-68.2-10.9112.6D38 E39 Y42D38-R113 IonicContact OD2-CZ 3.29Å; D38-R113 IonicContact OD2-NH2 3.9Å; D38-R113 PolarHBondContact OD2-NH2 3.27Å; E39-R113 IonicContact OE1-CZ 2.95Å; E39-R113 IonicContact OE1-NH1 3.86Å; E39-R113 PolarHBondContact OE1-NH1 3.42Å; E39-R113 IonicContact OE1-NH2 3.28Å; E39-R113 PolarHBondContact OE1-NH2 3.45Å; E39-R113 IonicContact OE2-CZ 2.96Å; E39-R113 IonicContact OE2-NH1 3.92Å; E39-R113 PolarHBondContact OE2-NH1 2.94Å; E39-R113 IonicContact OE2-NH2 2.69Å; Y42-R113 VanDerWaalsContact CD2-CD 3.42Å; Y42-R113 HydrophobicContact CE1-CB 3.88Å; Y42-R113 HydrophobicContact CE1-CG 4.29Å; Y42-R113 HydrophobicContact CE2-CB 4.25Å; Y42-R113 VanDerWaalsContact CE2-CD 3.45Å; Y42-R113 HydrophobicContact CE2-CG 4.48Å
114I81.7Confident83Confident99 Ų9982 Ų8251%0.50844%0.437SS..SBendtrans-110.1122.7-179.1-58.7173.4000108.7P112 G116 S117P112-I114 VanDerWaalsContact C-N 3.33Å; I114-G116 PolarHBondContact O-N 2.98Å; I114-S117 PolarHBondContact O-N 3.25Å; I114-S117 PolarHBondContact O-OG 3.27Å; I114-S117 VanDerWaalsContact O-OG 3.12Å
115S72.1Confident83.1Confident122 Ų12284.2 Ų84.285%0.85345%0.445SS*.THydrogen-bonded Turntrans-65.2127.6178.358.50000110.7S117S115-S117 VanDerWaalsContact C-N 3.34Å
116G67.3Low83.2Confident87 Ų8780 Ų8090%0.89743%0.429SS*.THydrogen-bonded Turntrans82.82.2-179.800000115.3I114I114-G116 PolarHBondContact O-N 2.98Å
117S71.8Confident83.2Confident31 Ų3177.9 Ų77.922%0.21742%0.418CS..  trans-80.3127.9165.373.40000110.1I114 S115 E119 F121I114-S117 PolarHBondContact O-N 3.25Å; I114-S117 PolarHBondContact O-OG 3.27Å; I114-S117 VanDerWaalsContact O-OG 3.12Å; S115-S117 VanDerWaalsContact C-N 3.34Å; S117-E119 VanDerWaalsContact C-N 3.29Å; S117-E119 PolarHBondContact OG-O 3.12Å; S117-F121 WeakPolarHBondContact O-CE2 3.48Å
118S68.1Low83.1Confident102 Ų10281.7 Ų81.771%0.71344%0.436SS*.  trans-85.4-10.2165.257.60000112.3
119E65.2Low83.1Confident158 Ų15881.4 Ų81.474%0.73844%0.438SS*.THydrogen-bonded Turntrans-76.8130.9172.6-60.3-175.1159.300107S117S117-E119 VanDerWaalsContact C-N 3.29Å; S117-E119 PolarHBondContact OG-O 3.12Å
120D70.4Confident82.8Confident127 Ų12783.4 Ų83.468%0.67945%0.451SS*.THydrogen-bonded Turntrans91.317.8176.9-149.230000118.3P122D120-P122 WeakPolarHBondContact O-CD 3.35Å
121F80.4Confident82.5Confident104 Ų10483.2 Ų83.246%0.45646%0.462SS..PPolyproline II helixtrans-76.3124.3165-76.5-78.3000111P112 S117 F124P112-F121 VanDerWaalsContact CD-CZ 3.49Å; P112-F121 HydrophobicContact CG-CE1 3.95Å; P112-F121 HydrophobicContact CG-CE2 3.96Å; P112-F121 HydrophobicContact CG-CZ 3.58Å; S117-F121 WeakPolarHBondContact O-CE2 3.48Å; F121-F124 HydrophobicContact CD1-CE2 4.33Å; F121-F124 AromaticContact CD1-CZ 3.76Å; F121-F124 HydrophobicContact CD1-CZ 3.76Å; F121-F124 HydrophobicContact CE1-CZ 4.43Å
122P84.6Confident82.2Confident32 Ų3287 Ų8721%0.20849%0.485CS..PPolyproline II helixtrans-74.6163.9174.232.3-34.3000111.3F110 D120 F124 F127F110-P122 HydrophobicContact CB-CG 4.43Å; F110-P122 WeakPolarHBondContact O-CD 3.42Å; D120-P122 WeakPolarHBondContact O-CD 3.35Å; P122-F124 PolarHBondContact O-N 3.17Å; P122-F127 HydrophobicContact CB-CE2 3.91Å; P122-F127 HydrophobicContact CB-CZ 4.23Å; P122-F127 HydrophobicContact CG-CE2 3.73Å; P122-F127 HydrophobicContact CG-CZ 3.8Å
123D86.4Confident82.1Confident113 Ų11392.4 Ų92.460%0.60451%0.509SS*.PPolyproline II helixtrans-65.7117.9170.3-176.7-0.3000110.2K125 F127D123-K125 PolarHBondContact O-N 2.85Å; D123-K125 VanDerWaalsContact OD1-CB 3.23Å; D123-K125 WeakPolarHBondContact OD1-CB 3.5Å; D123-K125 PolarHBondContact OD1-N 3.01Å; D123-F127 VanDerWaalsContact O-CD2 3.3Å; D123-F127 WeakPolarHBondContact O-CD2 3.41Å; D123-F127 WeakPolarHBondContact O-CE2 3.42Å
124F89.8Confident82.1Confident92 Ų9290.3 Ų90.340%0.40450%0.504SS..G310 helixtrans-71-12.5-179.7-63.9-73.2000114.1F110 F121 P122 N126 F127 F129F110-F124 HydrophobicContact CB-CE1 4.13Å; F110-F124 HydrophobicContact CD2-CE1 4.25Å; F121-F124 HydrophobicContact CD1-CE2 4.33Å; F121-F124 AromaticContact CD1-CZ 3.76Å; F121-F124 HydrophobicContact CD1-CZ 3.76Å; F121-F124 HydrophobicContact CE1-CZ 4.43Å; P122-F124 PolarHBondContact O-N 3.17Å; F124-N126 PolarHBondContact O-N 3.19Å; F124-F127 PolarHBondContact O-N 2.65Å; F124-F129 HydrophobicContact CD1-CE2 4.35Å; F124-F129 HydrophobicContact CD1-CZ 4.02Å; F124-F129 HydrophobicContact CE1-CZ 4.46Å
125K89.9Confident82.4Confident172 Ų17286.9 Ų86.975%0.74849%0.488SS*.G310 helixtrans-52.2-34.6-174.1-177.6-179.3176.2-172.90114.1D123D123-K125 PolarHBondContact O-N 2.85Å; D123-K125 VanDerWaalsContact OD1-CB 3.23Å; D123-K125 WeakPolarHBondContact OD1-CB 3.5Å; D123-K125 PolarHBondContact OD1-N 3.01Å
126N92.6Very high83.3Confident40 Ų4085.4 Ų85.421%0.21447%0.471CS..G310 helixtrans-103.12.9-175.6-69.4-14.9000113.3Y97 F98 P100 F124Y97-N126 HydrophobicContact CD2-CB 3.91Å; Y97-N126 HydrophobicContact CE2-CB 3.44Å; Y97-N126 VanDerWaalsContact CE2-CB 3.44Å; Y97-N126 PolarHBondContact OH-ND2 3Å; F98-N126 PolarHBondContact N-O 2.84Å; F98-N126 VanDerWaalsContact O-CB 3.32Å; F98-N126 WeakPolarHBondContact O-CB 3.42Å; P100-N126 WeakPolarHBondContact CD-ND2 3.43Å; F124-N126 PolarHBondContact O-N 3.19Å
127F92.8Very high84.6Confident18 Ų1885.4 Ų85.48%0.07945%0.45CS..EExtended strand (participates in β ladder)trans-87.5139.4175.5-75.8-91.4000110.9A95 L96 Y97 R108 F110 P122 D123 F124 F129A95-F127 HydrophobicContact CB-CD1 3.92Å; L96-F127 CarbonylContact O-C 3.55Å; L96-F127 WeakPolarHBondContact O-CA 3.37Å; Y97-F127 HydrophobicContact CD2-CD1 4.21Å; Y97-F127 AromaticContact CD2-CD2 3.72Å; Y97-F127 HydrophobicContact CD2-CD2 3.72Å; Y97-F127 HydrophobicContact CD2-CE1 4.05Å; Y97-F127 AromaticContact CD2-CE2 3.53Å; Y97-F127 HydrophobicContact CD2-CE2 3.53Å; Y97-F127 HydrophobicContact CD2-CG 4.1Å; Y97-F127 AromaticContact CD2-CZ 3.73Å; Y97-F127 HydrophobicContact CD2-CZ 3.73Å; Y97-F127 HydrophobicContact CE2-CD2 4.22Å; Y97-F127 AromaticContact CE2-CE2 3.93Å; Y97-F127 HydrophobicContact CE2-CE2 3.93Å; Y97-F127 HydrophobicContact CE2-CZ 4.43Å; Y97-F127 HydrophobicContact CG-CZ 4.47Å; R108-F127 HydrophobicContact CB-CE1 3.91Å; R108-F127 HydrophobicContact CB-CZ 4.11Å; R108-F127 HydrophobicContact CG-CE1 4.42Å; R108-F127 HydrophobicContact CG-CZ 4.15Å; R108-F127 WeakPolarHBondContact O-CE1 3.47Å; F110-F127 HydrophobicContact CB-CD1 4.2Å; F110-F127 HydrophobicContact CB-CE1 3.88Å; F110-F127 HydrophobicContact CB-CZ 4.15Å; P122-F127 HydrophobicContact CB-CE2 3.91Å; P122-F127 HydrophobicContact CB-CZ 4.23Å; P122-F127 HydrophobicContact CG-CE2 3.73Å; P122-F127 HydrophobicContact CG-CZ 3.8Å; D123-F127 VanDerWaalsContact O-CD2 3.3Å; D123-F127 WeakPolarHBondContact O-CD2 3.41Å; D123-F127 WeakPolarHBondContact O-CE2 3.42Å; F124-F127 PolarHBondContact O-N 2.65Å; F127-F129 HydrophobicContact CB-CD2 4.44Å; F127-F129 HydrophobicContact CB-CE2 3.65Å; F127-F129 HydrophobicContact CB-CZ 3.84Å; F127-F129 HydrophobicContact CG-CZ 4.46Å
128K91.3Very high85.7Confident113 Ų11383.9 Ų83.949%0.49144%0.44SS..EExtended strand (participates in β ladder)trans-115.9116.9175.6-168.1-178.3-174-1240109.3L96 D130L96-K128 HydrophobicContact CB-CB 4.39Å; L96-K128 HydrophobicContact CD2-CD 4.36Å; L96-K128 PolarHBondContact O-N 3.08Å; K128-D130 WeakPolarHBondContact CD-OD1 3.34Å; K128-D130 WeakPolarHBondContact CD-OD2 3.4Å; K128-D130 WeakPolarHBondContact CE-OD1 3.2Å; K128-D130 WeakPolarHBondContact CE-OD2 3.36Å; K128-D130 WeakPolarHBondContact CG-OD1 3.26Å; K128-D130 IonicContact NZ-OD1 2.78Å; K128-D130 PolarHBondContact NZ-OD1 2.98Å; K128-D130 IonicContact NZ-OD2 3.05Å; K128-D130 PolarHBondContact NZ-OD2 3.29Å
129F91.3Very high87Confident113 Ų11382 Ų8250%0.49642%0.418SS..  trans-100.889.6178.9-60.1-83.4000109.3A95 F110 F124 F127 G131A95-F129 HydrophobicContact CB-CD1 3.87Å; A95-F129 HydrophobicContact CB-CE1 3.61Å; A95-F129 HydrophobicContact CB-CZ 4.33Å; F110-F129 AromaticContact CD1-CE1 3.96Å; F110-F129 HydrophobicContact CD1-CE1 3.96Å; F110-F129 HydrophobicContact CD2-CE1 4.23Å; F110-F129 HydrophobicContact CD2-CZ 4.49Å; F110-F129 HydrophobicContact CE1-CE1 4.1Å; F110-F129 HydrophobicContact CE2-CE1 4.38Å; F110-F129 HydrophobicContact CG-CE1 4.04Å; F110-F129 HydrophobicContact CG-CZ 4.31Å; F110-F129 HydrophobicContact CZ-CE1 4.32Å; F124-F129 HydrophobicContact CD1-CE2 4.35Å; F124-F129 HydrophobicContact CD1-CZ 4.02Å; F124-F129 HydrophobicContact CE1-CZ 4.46Å; F127-F129 HydrophobicContact CB-CD2 4.44Å; F127-F129 HydrophobicContact CB-CE2 3.65Å; F127-F129 HydrophobicContact CB-CZ 3.84Å; F127-F129 HydrophobicContact CG-CZ 4.46Å; F129-G131 PolarHBondContact O-N 2.93Å
130D85.8Confident88.4Confident78 Ų7880.3 Ų80.342%0.41741%0.409SS..  trans-83.924.8-178.3-73.2-29.4000113.1K128 A134K128-D130 WeakPolarHBondContact CD-OD1 3.34Å; K128-D130 WeakPolarHBondContact CD-OD2 3.4Å; K128-D130 WeakPolarHBondContact CE-OD1 3.2Å; K128-D130 WeakPolarHBondContact CE-OD2 3.36Å; K128-D130 WeakPolarHBondContact CG-OD1 3.26Å; K128-D130 IonicContact NZ-OD1 2.78Å; K128-D130 PolarHBondContact NZ-OD1 2.98Å; K128-D130 IonicContact NZ-OD2 3.05Å; K128-D130 PolarHBondContact NZ-OD2 3.29Å; D130-A134 HydrophobicContact CB-CB 4.11Å
131G85.6Confident89.6Confident43 Ų4374.3 Ų74.344%0.44338%0.377SS..  trans81.4-173.2-176.500000114F129 E133 A134F129-G131 PolarHBondContact O-N 2.93Å; G131-E133 PolarHBondContact O-N 3.43Å; G131-A134 PolarHBondContact O-N 2.87Å
132P85.5Confident90.4Very high98 Ų9869.3 Ų69.364%0.63636%0.355SS*.Hα-helixtrans-67-23.9-173.427.5-35000113.1A134 S135 N136P132-A134 VanDerWaalsContact C-N 3.3Å; P132-A134 PolarHBondContact O-N 3.31Å; P132-S135 PolarHBondContact O-N 2.91Å; P132-N136 WeakPolarHBondContact O-CB 3.42Å; P132-N136 PolarHBondContact O-N 3.45Å; P132-N136 PolarHBondContact O-ND2 2.9Å
133E86.5Confident91Very high141 Ų14171.7 Ų71.766%0.65936%0.363SS*.Hα-helixtrans-60-39178.8-66-178.7-179.200112.2G131 S135 N136 N137G131-E133 PolarHBondContact O-N 3.43Å; E133-S135 VanDerWaalsContact C-N 3.34Å; E133-S135 PolarHBondContact O-N 3.2Å; E133-N136 PolarHBondContact O-N 2.05Å; E133-N137 WeakPolarHBondContact O-CB 3.33Å; E133-N137 PolarHBondContact O-N 2.86Å; E133-N137 PolarHBondContact O-ND2 3.12Å; E133-N137 PolarHBondContact O-OD1 3.5Å
134A85.1Confident91.4Very high14 Ų1467.2 Ų67.212%0.11634%0.34CS..Hα-helixtrans-64-40.5179.200000112.3Y107 D130 G131 P132 L138Y107-A134 HydrophobicContact CE1-CB 4.48Å; Y107-A134 WeakPolarHBondContact CE1-O 3.43Å; Y107-A134 PolarHBondContact OH-O 3.22Å; D130-A134 HydrophobicContact CB-CB 4.11Å; G131-A134 PolarHBondContact O-N 2.87Å; P132-A134 VanDerWaalsContact C-N 3.3Å; P132-A134 PolarHBondContact O-N 3.31Å; A134-L138 PolarHBondContact O-N 3.5Å
135S87.6Confident91.6Very high26 Ų2662.9 Ų62.918%0.18232%0.321CS..Hα-helixtrans-69.1-42.3174.3167.80000111.7S92 P132 E133 N137 L138 K139S92-S135 WeakPolarHBondContact CA-OG 3.37Å; P132-S135 PolarHBondContact O-N 2.91Å; E133-S135 VanDerWaalsContact C-N 3.34Å; E133-S135 PolarHBondContact O-N 3.2Å; S135-N137 VanDerWaalsContact C-N 3.33Å; S135-N137 PolarHBondContact O-N 2.89Å; S135-L138 PolarHBondContact O-N 3.27Å; S135-K139 PolarHBondContact O-N 3.33Å
136N92.1Very high91.9Very high92 Ų9255.6 Ų55.649%0.49229%0.291SS..Hα-helixtrans-64.8-39179.9-71.4-23.5000111.5P132 E133 L138 K139 F140P132-N136 WeakPolarHBondContact O-CB 3.42Å; P132-N136 PolarHBondContact O-N 3.45Å; P132-N136 PolarHBondContact O-ND2 2.9Å; E133-N136 PolarHBondContact O-N 2.05Å; N136-L138 VanDerWaalsContact C-N 3.32Å; N136-L138 PolarHBondContact O-N 3.34Å; N136-K139 PolarHBondContact O-N 3.21Å; N136-F140 WeakPolarHBondContact O-CB 3.43Å; N136-F140 PolarHBondContact O-N 3.43Å
137N93.5Very high92Very high86 Ų8661.3 Ų61.346%0.4632%0.316SS..Hα-helixtrans-63.2-40.4175.6-69.3-15.4000111.5L28 E133 S135 A141L28-N137 HydrophobicContact CD1-CB 4.38Å; L28-N137 HydrophobicContact CD2-CB 4.19Å; E133-N137 WeakPolarHBondContact O-CB 3.33Å; E133-N137 PolarHBondContact O-N 2.86Å; E133-N137 PolarHBondContact O-ND2 3.12Å; E133-N137 PolarHBondContact O-OD1 3.5Å; S135-N137 VanDerWaalsContact C-N 3.33Å; S135-N137 PolarHBondContact O-N 2.89Å; N137-A141 WeakPolarHBondContact O-CB 3.06Å; N137-A141 PolarHBondContact O-N 2.89Å
138L94.6Very high92.1Very high0 Ų064.7 Ų64.70%033%0.333CS..Hα-helixtrans-67.7-42.9175.9-172.672.6000111.3L28 A32 M91 Y94 Y107 A134 S135 N136 F140 A141 C142L28-L138 HydrophobicContact CD1-CB 4.18Å; L28-L138 HydrophobicContact CD1-CD1 3.95Å; A32-L138 HydrophobicContact CB-CD1 3.85Å; M91-L138 HydrophobicContact CB-CD2 4.04Å; M91-L138 HydrophobicContact CB-CG 4.18Å; M91-L138 HydrophobicContact CG-CD2 4.38Å; M91-L138 HydrophobicContact CG-CG 4.29Å; M91-L138 HydrophobicContact SD-CD2 3.73Å; M91-L138 HydrophobicContact SD-CG 3.83Å; Y94-L138 HydrophobicContact CG-CD2 3.99Å; Y107-L138 HydrophobicContact CD1-CB 4.25Å; Y107-L138 HydrophobicContact CD1-CD1 4.19Å; Y107-L138 HydrophobicContact CD1-CD2 3.74Å; Y107-L138 HydrophobicContact CD1-CG 4.29Å; Y107-L138 HydrophobicContact CD2-CD1 4.14Å; Y107-L138 HydrophobicContact CE1-CB 4.13Å; Y107-L138 HydrophobicContact CE1-CD2 4.42Å; Y107-L138 HydrophobicContact CG-CD1 3.89Å; Y107-L138 HydrophobicContact CG-CD2 4.05Å; Y107-L138 HydrophobicContact CG-CG 4.46Å; A134-L138 PolarHBondContact O-N 3.5Å; S135-L138 PolarHBondContact O-N 3.27Å; N136-L138 VanDerWaalsContact C-N 3.32Å; N136-L138 PolarHBondContact O-N 3.34Å; L138-F140 PolarHBondContact O-N 3.22Å; L138-A141 PolarHBondContact O-N 3.22Å; L138-C142 WeakPolarHBondContact O-CB 3.33Å; L138-C142 PolarHBondContact O-N 3.45Å
139K95.8Very high92.2Very high61 Ų6160 Ų6027%0.26531%0.313SS..Hα-helixtrans-58.3-47.8174.9-176.3169.8-173.2169.80111.5C88 D89 M91 S135 N136 A141 C142 E143C88-K139 HydrophobicContact CB-CG 4.47Å; D89-K139 IonicContact OD1-NZ 2.72Å; D89-K139 PolarHBondContact OD1-NZ 2.99Å; M91-K139 HydrophobicContact CB-CB 4.14Å; S135-K139 PolarHBondContact O-N 3.33Å; N136-K139 PolarHBondContact O-N 3.21Å; K139-A141 VanDerWaalsContact C-N 3.35Å; K139-A141 PolarHBondContact O-N 2.86Å; K139-C142 WeakPolarHBondContact O-CB 3.09Å; K139-C142 PolarHBondContact O-N 2.83Å; K139-C142 VanDerWaalsContact O-N 3.12Å; K139-E143 WeakPolarHBondContact CE-OE1 3.1Å; K139-E143 WeakPolarHBondContact O-CG 3.19Å; K139-E143 PolarHBondContact O-N 2.75Å
140F95.4Very high92.3Very high124 Ų12458.4 Ų58.454%0.54431%0.307SS..Hα-helixtrans-60.8-42.4176.7179.1-97.1000112.6N136 L138 C142 E143 T144N136-F140 WeakPolarHBondContact O-CB 3.43Å; N136-F140 PolarHBondContact O-N 3.43Å; L138-F140 PolarHBondContact O-N 3.22Å; F140-C142 VanDerWaalsContact C-N 3.32Å; F140-C142 PolarHBondContact O-N 3.05Å; F140-E143 PolarHBondContact O-N 3.42Å; F140-T144 PolarHBondContact O-N 2.72Å; F140-T144 PolarHBondContact O-OG1 2.86Å
141A95.6Very high92.7Very high0 Ų061 Ų610%032%0.321CS..Hα-helixtrans-63.5-39.6174.800000111.4L28 Y29 A32 N137 L138 K139 T144 L145L28-A141 HydrophobicContact CD2-CB 4.1Å; L28-A141 HydrophobicContact CG-CB 3.93Å; Y29-A141 HydrophobicContact CD1-CB 4.39Å; Y29-A141 HydrophobicContact CD2-CB 4.35Å; Y29-A141 HydrophobicContact CE1-CB 4.3Å; Y29-A141 HydrophobicContact CE2-CB 4.26Å; Y29-A141 HydrophobicContact CG-CB 4.43Å; A32-A141 HydrophobicContact CB-CB 3.99Å; N137-A141 WeakPolarHBondContact O-CB 3.06Å; N137-A141 PolarHBondContact O-N 2.89Å; L138-A141 PolarHBondContact O-N 3.22Å; K139-A141 VanDerWaalsContact C-N 3.35Å; K139-A141 PolarHBondContact O-N 2.86Å; A141-T144 PolarHBondContact O-N 3.18Å; A141-L145 WeakPolarHBondContact O-CB 3.31Å; A141-L145 WeakPolarHBondContact O-CG 3.45Å; A141-L145 PolarHBondContact O-N 3.08Å
142C97.2Very high93Very high0 Ų062.2 Ų62.20%032%0.317CS..Hα-helixtrans-61.1-50.6174.2177.70000111.8I36 C88 M91 L138 K139 F140 T144 L145 V146I36-C142 HydrophobicContact CD1-CB 4.44Å; I36-C142 VanDerWaalsContact CG1-SG 3.59Å; C88-C142 WeakPolarHBondContact CA-SG 3.19Å; C88-C142 HydrophobicContact CB-CB 3.79Å; C88-C142 WeakPolarHBondContact CB-SG 3.43Å; C88-C142 WeakPolarHBondContact SG-CB 3.47Å; C88-C142 CovalentContact SG-SG 2.05Å; C88-C142 PolarHBondContact SG-SG 3.03Å; M91-C142 HydrophobicContact CE-CB 4.3Å; M91-C142 HydrophobicContact CG-CB 3.77Å; M91-C142 HydrophobicContact SD-CB 4.13Å; L138-C142 WeakPolarHBondContact O-CB 3.33Å; L138-C142 PolarHBondContact O-N 3.45Å; K139-C142 WeakPolarHBondContact O-CB 3.09Å; K139-C142 PolarHBondContact O-N 2.83Å; K139-C142 VanDerWaalsContact O-N 3.12Å; F140-C142 VanDerWaalsContact C-N 3.32Å; F140-C142 PolarHBondContact O-N 3.05Å; C142-T144 VanDerWaalsContact C-N 3.28Å; C142-T144 PolarHBondContact O-N 2.92Å; C142-L145 WeakPolarHBondContact O-CB 3.41Å; C142-L145 PolarHBondContact O-N 2.69Å; C142-V146 WeakPolarHBondContact O-CG2 3.36Å; C142-V146 PolarHBondContact O-N 3.29Å
143E96.9Very high93.3Very high82 Ų8257.7 Ų57.738%0.38329%0.288SS..Hα-helixtrans-57-45179.4-71.3168.117500110.6C88 K139 F140 L145 V146 E147C88-E143 HydrophobicContact CB-CG 4.03Å; C88-E143 PolarHBondContact SG-N 3.05Å; K139-E143 WeakPolarHBondContact CE-OE1 3.1Å; K139-E143 WeakPolarHBondContact O-CG 3.19Å; K139-E143 PolarHBondContact O-N 2.75Å; F140-E143 PolarHBondContact O-N 3.42Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 3.05Å; E143-V146 PolarHBondContact O-N 2.94Å; E143-E147 WeakPolarHBondContact O-CG 3.39Å; E143-E147 PolarHBondContact O-N 3.33Å
144T95.1Very high93.6Very high19 Ų1952 Ų5212%0.11726%0.261CS..Hα-helixtrans-59.4-42.7175.3-55.20000112.1Y29 F140 A141 C142 E148Y29-T144 HydrophobicContact CE1-CG2 4.14Å; F140-T144 PolarHBondContact O-N 2.72Å; F140-T144 PolarHBondContact O-OG1 2.86Å; A141-T144 PolarHBondContact O-N 3.18Å; C142-T144 VanDerWaalsContact C-N 3.28Å; C142-T144 PolarHBondContact O-N 2.92Å; T144-E148 WeakPolarHBondContact O-CB 3.37Å; T144-E148 VanDerWaalsContact O-CG 3.3Å; T144-E148 WeakPolarHBondContact O-CG 3.45Å; T144-E148 PolarHBondContact O-N 3.48Å
145L94.4Very high93.8Very high1 Ų154 Ų541%0.00527%0.274CS..Hα-helixtrans-70.5-39.8-179.7-73.4173.7000112.6Y29 A32 C33 I36 A141 C142 E143 E147 E148 L149 Y176Y29-L145 HydrophobicContact CD1-CD1 4.47Å; Y29-L145 HydrophobicContact CD1-CD2 4.06Å; Y29-L145 HydrophobicContact CD1-CG 4.14Å; A32-L145 HydrophobicContact CB-CD1 3.59Å; C33-L145 HydrophobicContact CB-CD1 3.97Å; I36-L145 HydrophobicContact CD1-CB 3.69Å; I36-L145 HydrophobicContact CD1-CD1 4.02Å; A141-L145 WeakPolarHBondContact O-CB 3.31Å; A141-L145 WeakPolarHBondContact O-CG 3.45Å; A141-L145 PolarHBondContact O-N 3.08Å; C142-L145 WeakPolarHBondContact O-CB 3.41Å; C142-L145 PolarHBondContact O-N 2.69Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 3.05Å; L145-E147 VanDerWaalsContact C-N 3.34Å; L145-E148 PolarHBondContact O-N 2.78Å; L145-L149 HydrophobicContact CD2-CD1 3.99Å; L145-L149 VanDerWaalsContact O-CB 3.24Å; L145-L149 WeakPolarHBondContact O-CB 3.42Å; L145-L149 PolarHBondContact O-N 3.24Å; L145-Y176 HydrophobicContact CD2-CD2 3.5Å; L145-Y176 VanDerWaalsContact CD2-CD2 3.5Å; L145-Y176 HydrophobicContact CD2-CE2 3.03Å; L145-Y176 HydrophobicContact CD2-CG 4.5Å; L145-Y176 HydrophobicContact CG-CE2 4.49Å
146V95.8Very high93.9Very high18 Ų1853.7 Ų53.711%0.10927%0.271CS..Hα-helixtrans-62.8-45.7176.8169.70000109.5I36 L84 V87 C142 E143 E148 E150I36-V146 HydrophobicContact CD1-CG2 4.01Å; I36-V146 HydrophobicContact CG1-CG2 4.46Å; L84-V146 HydrophobicContact CB-CG1 4.13Å; L84-V146 HydrophobicContact CD2-CG1 4.28Å; L84-V146 HydrophobicContact CD2-CG2 4.18Å; V87-V146 HydrophobicContact CG1-CG2 3.76Å; C142-V146 WeakPolarHBondContact O-CG2 3.36Å; C142-V146 PolarHBondContact O-N 3.29Å; E143-V146 PolarHBondContact O-N 2.94Å; V146-E148 PolarHBondContact O-N 2.61Å; V146-E150 WeakPolarHBondContact O-CA 3.47Å; V146-E150 WeakPolarHBondContact O-CB 3.43Å; V146-E150 PolarHBondContact O-N 3.23Å
147E95Very high93.7Very high160 Ų16049.4 Ų49.475%0.74825%0.248SC*.Hα-helixtrans-61.4-40.2175.5-71.7177.9-176.300112.9E143 L145E143-E147 WeakPolarHBondContact O-CG 3.39Å; E143-E147 PolarHBondContact O-N 3.33Å; L145-E147 VanDerWaalsContact C-N 3.34Å
148E93.8Very high93.3Very high90 Ų9047 Ų4742%0.42124%0.244SC..Hα-helixtrans-78.6-31.8-177.7-75.2179.9175.400113.7R24 T144 L145 V146 Y176R24-E148 IonicContact CZ-OE1 3.82Å; R24-E148 VanDerWaalsContact CZ-OE1 3.28Å; R24-E148 IonicContact CZ-OE2 2.73Å; R24-E148 IonicContact NH1-OE1 3.04Å; R24-E148 PolarHBondContact NH1-OE1 3.45Å; R24-E148 IonicContact NH1-OE2 3.2Å; R24-E148 PolarHBondContact NH1-OE2 3.37Å; R24-E148 IonicContact NH2-OE1 3.23Å; R24-E148 PolarHBondContact NH2-OE1 3.33Å; T144-E148 WeakPolarHBondContact O-CB 3.37Å; T144-E148 VanDerWaalsContact O-CG 3.3Å; T144-E148 WeakPolarHBondContact O-CG 3.45Å; T144-E148 PolarHBondContact O-N 3.48Å; L145-E148 PolarHBondContact O-N 2.78Å; V146-E148 PolarHBondContact O-N 2.61Å; E148-Y176 PolarHBondContact OE2-OH 3.33Å
149L93.5Very high92.6Very high15 Ų1554 Ų548%0.07927%0.27CS..Hα-helixtrans-120.311-166.8-56.5175.4000113.8L145 D151 D152 I153 L169 V173 Y176L145-L149 HydrophobicContact CD2-CD1 3.99Å; L145-L149 VanDerWaalsContact O-CB 3.24Å; L145-L149 WeakPolarHBondContact O-CB 3.42Å; L145-L149 PolarHBondContact O-N 3.24Å; L149-D151 PolarHBondContact O-N 2.88Å; L149-D152 PolarHBondContact O-N 3.33Å; L149-D152 VanDerWaalsContact O-N 3.14Å; L149-I153 HydrophobicContact CB-CD1 3.93Å; L149-I153 HydrophobicContact CB-CG1 4.15Å; L149-I153 WeakPolarHBondContact O-CB 3.36Å; L149-I153 WeakPolarHBondContact O-CD1 3.47Å; L149-I153 WeakPolarHBondContact O-CG1 3.39Å; L149-I153 PolarHBondContact O-N 3.36Å; L149-L169 HydrophobicContact CD1-CD1 4.48Å; L149-V173 HydrophobicContact CD2-CG1 4.27Å; L149-Y176 HydrophobicContact CD1-CE2 4.45Å
150E94.2Very high91.2Very high79 Ų7957 Ų5737%0.36929%0.289SS..Hα-helixtrans-47.3-56.8-178.5-177.3178.517400112.2L84 V146 D152 I153 I154L84-E150 HydrophobicContact CD1-CG 3.93Å; V146-E150 WeakPolarHBondContact O-CA 3.47Å; V146-E150 WeakPolarHBondContact O-CB 3.43Å; V146-E150 PolarHBondContact O-N 3.23Å; E150-D152 VanDerWaalsContact C-N 3.33Å; E150-D152 PolarHBondContact O-N 3.47Å; E150-I153 PolarHBondContact O-N 3.2Å; E150-I154 HydrophobicContact CG-CD1 3.85Å; E150-I154 WeakPolarHBondContact O-CG1 3.28Å; E150-I154 PolarHBondContact O-N 3.27Å
151D92.8Very high89.3Confident132 Ų13256 Ų5671%0.70629%0.286SS*.Hα-helixtrans-60.7-41.2-178.3-71.6-31000112.3L149 S155L149-D151 PolarHBondContact O-N 2.88Å; D151-S155 WeakPolarHBondContact O-CB 3.26Å; D151-S155 PolarHBondContact O-N 2.97Å
152D92.4Very high87.5Confident69 Ų6960 Ų6037%0.36933%0.327SS..Hα-helixtrans-68.5-40.6179.9-74.8-39.6000111.3L149 E150 L156 L169 V173L149-D152 PolarHBondContact O-N 3.33Å; L149-D152 VanDerWaalsContact O-N 3.14Å; E150-D152 VanDerWaalsContact C-N 3.33Å; E150-D152 PolarHBondContact O-N 3.47Å; D152-L156 VanDerWaalsContact O-CB 3.3Å; D152-L156 WeakPolarHBondContact O-CB 3.13Å; D152-L156 VanDerWaalsContact O-CG 3.23Å; D152-L156 WeakPolarHBondContact O-CG 3.48Å; D152-L156 PolarHBondContact O-N 3.42Å; D152-L169 HydrophobicContact CB-CD1 4.14Å; D152-V173 HydrophobicContact CB-CG1 4.14Å; D152-V173 WeakPolarHBondContact OD2-CG1 3.48Å
153I91.9Very high85.7Confident3 Ų364 Ų642%0.01535%0.345CS..Hα-helixtrans-63.3-49.9177-67.8162.1000110.1I36 L40 L84 L149 E150 S155 L156 L157 L169I36-I153 HydrophobicContact CG2-CD1 4.16Å; L40-I153 HydrophobicContact CD1-CG2 3.53Å; L84-I153 HydrophobicContact CD1-CB 4.48Å; L84-I153 HydrophobicContact CD1-CG2 4.29Å; L84-I153 HydrophobicContact CD2-CD1 3.96Å; L84-I153 HydrophobicContact CD2-CG2 4.02Å; L149-I153 HydrophobicContact CB-CD1 3.93Å; L149-I153 HydrophobicContact CB-CG1 4.15Å; L149-I153 WeakPolarHBondContact O-CB 3.36Å; L149-I153 WeakPolarHBondContact O-CD1 3.47Å; L149-I153 WeakPolarHBondContact O-CG1 3.39Å; L149-I153 PolarHBondContact O-N 3.36Å; E150-I153 PolarHBondContact O-N 3.2Å; I153-S155 VanDerWaalsContact C-N 3.34Å; I153-S155 PolarHBondContact O-N 3.11Å; I153-L156 PolarHBondContact O-N 3.23Å; I153-L157 HydrophobicContact CG2-CD1 3.59Å; I153-L157 HydrophobicContact CG2-CG 4.38Å; I153-L157 WeakPolarHBondContact O-CB 3.46Å; I153-L157 PolarHBondContact O-N 3.33Å; I153-L169 HydrophobicContact CD1-CD2 4.43Å; I153-L169 HydrophobicContact CG1-CD1 3.94Å; I153-L169 HydrophobicContact CG1-CD2 3.63Å; I153-L169 HydrophobicContact CG1-CG 4.44Å
154I92.1Very high85Confident20 Ų2064.5 Ų64.510%0.10335%0.351CS..Hα-helixtrans-60.5-46.1179.4-68.9171.1000110.4E77 L80 S81 L84 E150 L156 G158E77-I154 HydrophobicContact CB-CG2 4.12Å; E77-I154 HydrophobicContact CG-CG2 3.98Å; L80-I154 HydrophobicContact CB-CG1 4.05Å; L80-I154 HydrophobicContact CD1-CG2 4.34Å; S81-I154 VanDerWaalsContact OG-CD1 3.3Å; S81-I154 WeakPolarHBondContact OG-CD1 3.49Å; L84-I154 HydrophobicContact CD1-CD1 4.2Å; L84-I154 HydrophobicContact CD1-CG1 3.9Å; E150-I154 HydrophobicContact CG-CD1 3.85Å; E150-I154 WeakPolarHBondContact O-CG1 3.28Å; E150-I154 PolarHBondContact O-N 3.27Å; I154-L156 PolarHBondContact O-N 3.41Å; I154-G158 WeakPolarHBondContact O-CA 3.46Å; I154-G158 PolarHBondContact O-N 2.88Å
155S90.5Very high84.5Confident56 Ų5664.9 Ų64.939%0.39235%0.353SS..Hα-helixtrans-62.1-44.1179.4-179.10000112.2D151 I153 R159D151-S155 WeakPolarHBondContact O-CB 3.26Å; D151-S155 PolarHBondContact O-N 2.97Å; I153-S155 VanDerWaalsContact C-N 3.34Å; I153-S155 PolarHBondContact O-N 3.11Å; S155-R159 WeakPolarHBondContact O-CD 3.35Å; S155-R159 WeakPolarHBondContact O-CG 3.35Å
156L89.4Confident84.1Confident21 Ų2167.8 Ų67.811%0.1137%0.366CS..Hα-helixtrans-73.7-42.2-178.4-71.9176.7000112.8D152 I153 I154 V165 K168 L169 V173D152-L156 VanDerWaalsContact O-CB 3.3Å; D152-L156 WeakPolarHBondContact O-CB 3.13Å; D152-L156 VanDerWaalsContact O-CG 3.23Å; D152-L156 WeakPolarHBondContact O-CG 3.48Å; D152-L156 PolarHBondContact O-N 3.42Å; I153-L156 PolarHBondContact O-N 3.23Å; I154-L156 PolarHBondContact O-N 3.41Å; L156-V165 HydrophobicContact CB-CG1 4.12Å; L156-K168 HydrophobicContact CD1-CG 4.37Å; L156-K168 HydrophobicContact CD2-CD 3.76Å; L156-K168 HydrophobicContact CD2-CG 4.17Å; L156-L169 HydrophobicContact CD1-CB 3.92Å; L156-L169 HydrophobicContact CD1-CD1 3.84Å; L156-L169 HydrophobicContact CD1-CG 4.49Å; L156-V173 HydrophobicContact CD1-CG2 4.26Å
157L87.9Confident83.6Confident2 Ų271 Ų711%0.0138%0.379CS..Hα-helixtrans-73.7-31.8178.5-72172000112.4L40 I44 R75 L80 I153 R159 V165L40-L157 HydrophobicContact CB-CD1 3.91Å; L40-L157 HydrophobicContact CD1-CD1 3.56Å; L40-L157 HydrophobicContact CG-CD1 4.35Å; I44-L157 HydrophobicContact CD1-CD1 4.31Å; I44-L157 HydrophobicContact CD1-CD2 4.39Å; R75-L157 WeakPolarHBondContact CD-O 3.32Å; R75-L157 PolarHBondContact NH1-O 3.34Å; L80-L157 HydrophobicContact CD1-CB 3.98Å; L80-L157 HydrophobicContact CD2-CB 4.33Å; L80-L157 HydrophobicContact CD2-CD1 4.44Å; I153-L157 HydrophobicContact CG2-CD1 3.59Å; I153-L157 HydrophobicContact CG2-CG 4.38Å; I153-L157 WeakPolarHBondContact O-CB 3.46Å; I153-L157 PolarHBondContact O-N 3.33Å; L157-R159 PolarHBondContact O-N 2.67Å; L157-V165 HydrophobicContact CD2-CB 4.48Å; L157-V165 HydrophobicContact CD2-CG1 3.83Å; L157-V165 HydrophobicContact CG-CG1 4.25Å
158G85.4Confident83.2Confident36 Ų3665.6 Ų65.637%0.37135%0.353SS..Hα-helixtrans-65.6-25.3177.100000113.9I154I154-G158 WeakPolarHBondContact O-CA 3.46Å; I154-G158 PolarHBondContact O-N 2.88Å
159R79.8Confident83Confident146 Ų14661.4 Ų61.455%0.55133%0.334SS*.SBendtrans-95.1101.1178.3-61166.796.5105.24.6108.3S155 L157 E161S155-R159 WeakPolarHBondContact O-CD 3.35Å; S155-R159 WeakPolarHBondContact O-CG 3.35Å; L157-R159 PolarHBondContact O-N 2.67Å; R159-E161 HydrophobicContact CB-CG 4.01Å; R159-E161 IonicContact NE-OE1 3.29Å; R159-E161 PolarHBondContact NE-OE1 3.42Å; R159-E161 PolarHBondContact O-N 3.06Å
160D65.1Low82.8Confident124 Ų12460.8 Ų60.866%0.66333%0.331SS*.  trans-67.774.6178.5-168.327.6000112.2R75R75-D160 IonicContact CZ-OD1 3.81Å; R75-D160 VanDerWaalsContact CZ-OD1 3.23Å; R75-D160 VanDerWaalsContact NH1-CA 3.27Å; R75-D160 IonicContact NH1-OD1 2.68Å; R75-D160 PolarHBondContact NH1-OD1 3.36Å; R75-D160 IonicContact NH2-OD1 3.38Å; R75-D160 PolarHBondContact NH2-OD1 3.23Å
161E56.6Low82.4Confident103 Ų10357.8 Ų57.848%0.48132%0.318SS..  trans-97.7-5.6-169.8-76.1-178-175.800113.9R159 E163 K168R159-E161 HydrophobicContact CB-CG 4.01Å; R159-E161 IonicContact NE-OE1 3.29Å; R159-E161 PolarHBondContact NE-OE1 3.42Å; R159-E161 PolarHBondContact O-N 3.06Å; E161-E163 PolarHBondContact O-N 2.83Å; E161-K168 IonicContact OE2-NZ 3.97Å; E161-K168 PolarHBondContact OE2-NZ 2.77Å
162G57.3Low81.9Confident83 Ų8358.6 Ų58.686%0.85631%0.311SS*.  trans60-1.5179.700000115.4
163E60.5Low81.3Confident85 Ų8558.1 Ų58.140%0.39731%0.311SS..SBendtrans-76.1149.3168.8-155.7-175.5-17700108.4E161 V165 K168 R172E161-E163 PolarHBondContact O-N 2.83Å; E163-V165 VanDerWaalsContact C-N 3.32Å; E163-V165 PolarHBondContact O-N 3.47Å; E163-K168 IonicContact OE2-NZ 3.99Å; E163-K168 PolarHBondContact OE2-NZ 3.29Å; E163-R172 IonicContact OE1-CZ 3.57Å; E163-R172 IonicContact OE1-NH1 2.67Å; E163-R172 PolarHBondContact OE1-NH1 2.9Å; E163-R172 IonicContact OE1-NH2 3.29Å
164D80.7Confident80.8Confident92 Ų9258.9 Ų58.949%0.49232%0.316SS..  trans-63.590.3178.5-175.2-11.2000110.3Q166 K167 K168D164-Q166 PolarHBondContact O-N 2.97Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.48Å; D164-Q166 PolarHBondContact OD1-N 2.91Å; D164-K167 HydrophobicContact CB-CB 3.94Å; D164-K167 WeakPolarHBondContact O-CB 3.06Å; D164-K167 PolarHBondContact O-N 3.3Å; D164-K167 PolarHBondContact OD1-N 3.47Å; D164-K168 PolarHBondContact O-N 2.95Å
165V84.7Confident80.4Confident27 Ų2763.4 Ų63.416%0.16434%0.341CS..Hα-helixtrans-54-37.5179.3174.20000110.2V37 L156 L157 E163 K168 L169V37-V165 HydrophobicContact CG1-CG1 4.39Å; L156-V165 HydrophobicContact CB-CG1 4.12Å; L157-V165 HydrophobicContact CD2-CB 4.48Å; L157-V165 HydrophobicContact CD2-CG1 3.83Å; L157-V165 HydrophobicContact CG-CG1 4.25Å; E163-V165 VanDerWaalsContact C-N 3.32Å; E163-V165 PolarHBondContact O-N 3.47Å; V165-K168 PolarHBondContact O-N 2.91Å; V165-L169 VanDerWaalsContact O-CB 3.29Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 PolarHBondContact O-N 3.45Å
166Q85.9Confident80Confident62 Ų6262.3 Ų62.329%0.2933%0.328SS..Hα-helixtrans-61.4-48.4177.8-168.9-168.4-74.500110.6K34 V37 D164 K168 C170K34-Q166 HydrophobicContact CB-CG 4.34Å; K34-Q166 HydrophobicContact CG-CG 3.93Å; V37-Q166 HydrophobicContact CB-CB 4.34Å; V37-Q166 HydrophobicContact CB-CG 4.31Å; V37-Q166 HydrophobicContact CG1-CB 3.84Å; V37-Q166 HydrophobicContact CG1-CG 4.32Å; D164-Q166 PolarHBondContact O-N 2.97Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.48Å; D164-Q166 PolarHBondContact OD1-N 2.91Å; Q166-K168 PolarHBondContact O-N 3.49Å; Q166-C170 WeakPolarHBondContact O-CB 3.38Å; Q166-C170 PolarHBondContact O-N 3.26Å; Q166-C170 PolarHBondContact O-SG 3.04Å; Q166-C170 VanDerWaalsContact O-SG 3.38Å
167K85.8Confident79.8Confident86 Ų8661.6 Ų61.637%0.37433%0.325SS..Hα-helixtrans-61.9-44.4177.7-173.4175.5-172.8175.10112.1D164 S171 D179D164-K167 HydrophobicContact CB-CB 3.94Å; D164-K167 WeakPolarHBondContact O-CB 3.06Å; D164-K167 PolarHBondContact O-N 3.3Å; D164-K167 PolarHBondContact OD1-N 3.47Å; K167-S171 WeakPolarHBondContact O-CB 3.34Å; K167-S171 PolarHBondContact O-N 2.82Å; K167-S171 PolarHBondContact O-OG 3.17Å; K167-S171 VanDerWaalsContact O-OG 3.07Å; K167-D179 WeakPolarHBondContact CE-OD1 3.31Å; K167-D179 IonicContact NZ-OD1 3.05Å
168K87.1Confident79.4Confident47 Ų4769.1 Ų69.120%0.20436%0.358CS..Iπ-helixtrans-64.5-49.3-178.6-169167-180172.10111.4L156 E161 E163 D164 V165 Q166 R172 V173L156-K168 HydrophobicContact CD1-CG 4.37Å; L156-K168 HydrophobicContact CD2-CD 3.76Å; L156-K168 HydrophobicContact CD2-CG 4.17Å; E161-K168 IonicContact OE2-NZ 3.97Å; E161-K168 PolarHBondContact OE2-NZ 2.77Å; E163-K168 IonicContact OE2-NZ 3.99Å; E163-K168 PolarHBondContact OE2-NZ 3.29Å; D164-K168 PolarHBondContact O-N 2.95Å; V165-K168 PolarHBondContact O-N 2.91Å; Q166-K168 PolarHBondContact O-N 3.49Å; K168-R172 WeakPolarHBondContact O-CA 2.95Å; K168-R172 WeakPolarHBondContact O-CB 3.44Å; K168-R172 PolarHBondContact O-N 3Å; K168-R172 VanDerWaalsContact O-N 3.11Å; K168-V173 PolarHBondContact O-N 3.12Å
169L88.4Confident78.5Confident2 Ų269.6 Ų69.61%0.0135%0.352CS..Iπ-helixtrans-68.8-52.7-179.9-176.174.4000111.6V37 L149 D152 I153 L156 V165 S171 V173 S174V37-L169 HydrophobicContact CG2-CD2 3.53Å; L149-L169 HydrophobicContact CD1-CD1 4.48Å; D152-L169 HydrophobicContact CB-CD1 4.14Å; I153-L169 HydrophobicContact CD1-CD2 4.43Å; I153-L169 HydrophobicContact CG1-CD1 3.94Å; I153-L169 HydrophobicContact CG1-CD2 3.63Å; I153-L169 HydrophobicContact CG1-CG 4.44Å; L156-L169 HydrophobicContact CD1-CB 3.92Å; L156-L169 HydrophobicContact CD1-CD1 3.84Å; L156-L169 HydrophobicContact CD1-CG 4.49Å; V165-L169 VanDerWaalsContact O-CB 3.29Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 PolarHBondContact O-N 3.45Å; L169-S171 PolarHBondContact O-N 3.32Å; L169-V173 HydrophobicContact CD1-CG1 4.49Å; L169-S174 WeakPolarHBondContact O-CB 3.44Å; L169-S174 PolarHBondContact O-N 2.68Å; L169-S174 VanDerWaalsContact O-N 3.14Å; L169-S174 PolarHBondContact O-OG 3.44Å
170C89.8Confident77.2Confident2 Ų270.5 Ų70.51%0.01437%0.368CS..Iπ-helixtrans-79.8-20-169.2-56.30000114.3C33 Q166 S174 Y176 C177C33-C170 HydrophobicContact CB-CB 3.85Å; C33-C170 WeakPolarHBondContact CB-SG 3.41Å; C33-C170 WeakPolarHBondContact SG-CA 3.3Å; C33-C170 WeakPolarHBondContact SG-CB 3.48Å; C33-C170 CovalentContact SG-SG 2.04Å; C33-C170 PolarHBondContact SG-SG 3.29Å; Q166-C170 WeakPolarHBondContact O-CB 3.38Å; Q166-C170 PolarHBondContact O-N 3.26Å; Q166-C170 PolarHBondContact O-SG 3.04Å; Q166-C170 VanDerWaalsContact O-SG 3.38Å; C170-S174 WeakPolarHBondContact CA-OG 3.42Å; C170-S174 PolarHBondContact O-OG 3.29Å; C170-Y176 PolarHBondContact O-N 2.88Å; C170-C177 HydrophobicContact CB-CB 4.27Å; C170-C177 WeakPolarHBondContact O-CB 3.39Å; C170-C177 PolarHBondContact O-N 3.36Å
171S87.1Confident76.2Confident16 Ų1668.9 Ų68.911%0.11237%0.366CS..Iπ-helixtrans-110.2-52.7179.6-33.30000111.8K167 L169 D175K167-S171 WeakPolarHBondContact O-CB 3.34Å; K167-S171 PolarHBondContact O-N 2.82Å; K167-S171 PolarHBondContact O-OG 3.17Å; K167-S171 VanDerWaalsContact O-OG 3.07Å; L169-S171 PolarHBondContact O-N 3.32Å; S171-D175 WeakPolarHBondContact O-CA 3.46Å; S171-D175 PolarHBondContact O-N 3.2Å
172R80.9Confident75.1Confident148 Ų14871.9 Ų71.956%0.55838%0.38SS*.Iπ-helixtrans-81-40-173-59.5-178.3-179.91560.6113.9E163 K168E163-R172 IonicContact OE1-CZ 3.57Å; E163-R172 IonicContact OE1-NH1 2.67Å; E163-R172 PolarHBondContact OE1-NH1 2.9Å; E163-R172 IonicContact OE1-NH2 3.29Å; K168-R172 WeakPolarHBondContact O-CA 2.95Å; K168-R172 WeakPolarHBondContact O-CB 3.44Å; K168-R172 PolarHBondContact O-N 3Å; K168-R172 VanDerWaalsContact O-N 3.11Å
173V81.2Confident74.2Confident60 Ų6073.3 Ų73.336%0.36437%0.374SS..Iπ-helixtrans-82.5-46.2-176.91750000110.9L149 D152 L156 K168 L169L149-V173 HydrophobicContact CD2-CG1 4.27Å; D152-V173 HydrophobicContact CB-CG1 4.14Å; D152-V173 WeakPolarHBondContact OD2-CG1 3.48Å; L156-V173 HydrophobicContact CD1-CG2 4.26Å; K168-V173 PolarHBondContact O-N 3.12Å; L169-V173 HydrophobicContact CD1-CG1 4.49Å
174S80.2Confident73.5Confident18 Ų1876.3 Ų76.313%0.12639%0.393CS..THydrogen-bonded Turntrans-107.6-11.9-168.1650000115.6L169 C170 Y176L169-S174 WeakPolarHBondContact O-CB 3.44Å; L169-S174 PolarHBondContact O-N 2.68Å; L169-S174 VanDerWaalsContact O-N 3.14Å; L169-S174 PolarHBondContact O-OG 3.44Å; C170-S174 WeakPolarHBondContact CA-OG 3.42Å; C170-S174 PolarHBondContact O-OG 3.29Å; S174-Y176 PolarHBondContact O-N 3.27Å; S174-Y176 VanDerWaalsContact OG-CD2 3.29Å; S174-Y176 WeakPolarHBondContact OG-CD2 3.41Å
175D83.9Confident71.9Confident116 Ų11678.9 Ų78.962%0.6241%0.407SS*.  trans53.820.8-179.8-164.731.6000114.7S171S171-D175 WeakPolarHBondContact O-CA 3.46Å; S171-D175 PolarHBondContact O-N 3.2Å
176Y83Confident69.7Low32 Ų3286.5 Ų86.513%0.12544%0.44CS..  trans-77.9-37.2178.1-68.6-55.9000111.9R24 Y29 C30 L145 E148 L149 C170 S174R24-Y176 PolarHBondContact NH1-OH 3.14Å; Y29-Y176 HydrophobicContact CD1-CD1 4.28Å; Y29-Y176 AromaticContact CD1-CE1 3.88Å; Y29-Y176 HydrophobicContact CD1-CE1 3.88Å; Y29-Y176 HydrophobicContact CG-CD1 4.21Å; Y29-Y176 HydrophobicContact CG-CE1 4.18Å; C30-Y176 WeakPolarHBondContact CB-O 3.3Å; L145-Y176 HydrophobicContact CD2-CD2 3.5Å; L145-Y176 VanDerWaalsContact CD2-CD2 3.5Å; L145-Y176 HydrophobicContact CD2-CE2 3.03Å; L145-Y176 HydrophobicContact CD2-CG 4.5Å; L145-Y176 HydrophobicContact CG-CE2 4.49Å; E148-Y176 PolarHBondContact OE2-OH 3.33Å; L149-Y176 HydrophobicContact CD1-CE2 4.45Å; C170-Y176 PolarHBondContact O-N 2.88Å; S174-Y176 PolarHBondContact O-N 3.27Å; S174-Y176 VanDerWaalsContact OG-CD2 3.29Å; S174-Y176 WeakPolarHBondContact OG-CD2 3.41Å
177C84.7Confident67.2Low6 Ų695.5 Ų95.54%0.04149%0.489CS..SBendtrans-99.6134.9175.6-61.70000110.8C30 C170C30-C177 WeakPolarHBondContact CA-SG 3.47Å; C30-C177 HydrophobicContact CB-CB 4.11Å; C30-C177 WeakPolarHBondContact CB-SG 3.23Å; C30-C177 VanDerWaalsContact SG-CA 3.53Å; C30-C177 WeakPolarHBondContact SG-CB 3.48Å; C30-C177 CovalentContact SG-SG 2.04Å; C30-C177 PolarHBondContact SG-SG 2.73Å; C170-C177 HydrophobicContact CB-CB 4.27Å; C170-C177 WeakPolarHBondContact O-CB 3.39Å; C170-C177 PolarHBondContact O-N 3.36Å
178K79.8Confident66.3Low160 Ų16096 Ų9670%0.69650%0.495SS*.PPolyproline II helixtrans-73134.6166.8-68.7-175.2176.7-174.90109D180K178-D180 PolarHBondContact O-N 2.74Å
179D65.4Low65.2Low46 Ų4698.5 Ų98.525%0.24651%0.51CS..PPolyproline II helixtrans-67.4125.9166.9-90.9-39.6000109K167 S181 Q182K167-D179 WeakPolarHBondContact CE-OD1 3.31Å; K167-D179 IonicContact NZ-OD1 3.05Å; D179-S181 PolarHBondContact O-N 3.38Å; D179-Q182 PolarHBondContact O-N 3.28Å
180D53.2Low63.9Low166 Ų166103.9 Ų103.989%0.88854%0.538SS*.THydrogen-bonded Turntrans-60.44.1177-74.1-38.7000114K178K178-D180 PolarHBondContact O-N 2.74Å
181S44.7Very low62.4Low90 Ų90109.9 Ų109.963%0.62957%0.569SS**THydrogen-bonded Turntrans-87.93.617553.60000115D179D179-S181 PolarHBondContact O-N 3.38Å
182Q32.5Very low60.8Low166 Ų166115.8 Ų115.878%0.77660%0.597SS**SBendtrans-108111.3168.8-83.2-177.9-78.600110.9D179 N184D179-Q182 PolarHBondContact O-N 3.28Å; Q182-N184 PolarHBondContact O-N 2.91Å
183P38.3Very low59.5Low113 Ų113113.6 Ų113.673%0.73460%0.6SS**  trans-60.5139.6165.626.3-28.9000108.3D185P183-D185 PolarHBondContact O-N 3.19Å
184N46.6Very low57.9Low148 Ų148117.4 Ų117.479%0.79162%0.617SS**  trans-56.2100.3176.7-65-71.5000110.7Q182Q182-N184 PolarHBondContact O-N 2.91Å
185D46.5Very low56.2Low145 Ų145125.1 Ų125.178%0.77566%0.655SS**  trans-114.7130.6141.2-74.4-43.5000103.3P183P183-D185 PolarHBondContact O-N 3.19Å
186E38.3Very low53.9Low187 Ų187125.8 Ų125.887%0.87466%0.657SS**  -157.6132.458.3-69.3177.5133.400111.2
187L33.9Very low51.3Low251 Ų251134.4 Ų134.4100%1.31471%0.706SS**  trans26.70140-131.878.1000121.1

Retrieved 187 of 187 residues in 91.1 ms (Link to these results)

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