A0A3B3VYL8_9TELE Loading...

Dynein light chain Tctex-type 2B

AlphaFold DB , UniProt , Accession A0A3B3VYL8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 121 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
1M38.8Very low59.2Low235 Ų235145.7 Ų145.7100%1.15873%0.729SS**  0870-160.6174.4-70.600105.1
2V42.8Very low61.2Low143 Ų143134.5 Ų134.587%0.86767%0.674SS**  trans-90.3111.8-179.3178.80000105E4V2-E4 PolarHBondContact O-N 3.2Å
3E48.6Very low63Low182 Ų182131.5 Ų131.585%0.8566%0.662SS**  trans-62.3118.4170.5-66.5-156.5146.100108S5E3-S5 PolarHBondContact O-N 3.28Å; E3-S5 VanDerWaalsContact O-N 3.09Å
4E52.7Low64.4Low191 Ų191133.3 Ų133.389%0.89367%0.666SS**  trans-64.9108.1173.1-138.5167.3-17200106.3V2 D6V2-E4 PolarHBondContact O-N 3.2Å; E4-D6 PolarHBondContact O-N 2.88Å
5S48.5Very low65.7Low99 Ų99137.1 Ų137.169%0.69267%0.67SS**  trans-62.2103.7179.952.80000108.7E3 T7E3-S5 PolarHBondContact O-N 3.28Å; E3-S5 VanDerWaalsContact O-N 3.09Å; S5-T7 PolarHBondContact O-N 2.85Å; S5-T7 PolarHBondContact O-OG1 2.91Å
6D54.8Low67.1Low174 Ų174130.9 Ų130.993%0.9364%0.64SS**  trans-66.581.4179.8-132.8-3.6000109E4 Y8E4-D6 PolarHBondContact O-N 2.88Å; D6-Y8 PolarHBondContact O-N 3.01Å
7T62.1Low68.6Low83 Ų83126.8 Ų126.851%0.50962%0.618SS.*  trans-83.7104.6-175.9-450000106.1S5 H9S5-T7 PolarHBondContact O-N 2.85Å; S5-T7 PolarHBondContact O-OG1 2.91Å; T7-H9 PolarHBondContact O-CD2 2.73Å; T7-H9 PolarHBondContact O-N 2.72Å; T7-H9 PolarHBondContact O-NE2 2.86Å
8Y69.3Low70Confident161 Ų161120.3 Ų120.363%0.63159%0.587SS**  trans-55.5106.2179.6178.7-102.1000110.6D6 I10 Y121D6-Y8 PolarHBondContact O-N 3.01Å; Y8-I10 HydrophobicContact CD1-CG1 3.93Å; Y8-I10 HydrophobicContact CE1-CG1 3.75Å; Y8-I10 PolarHBondContact O-N 2.99Å; Y8-Y121 PolarHBondContact OH-OXT 2.92Å
9H69.3Low71.4Confident112 Ų112118.1 Ų118.152%0.51957%0.573SS.*  trans-89.1106.4-179.7-68.2-61.3000110T7 R11T7-H9 PolarHBondContact O-CD2 2.73Å; T7-H9 PolarHBondContact O-N 2.72Å; T7-H9 PolarHBondContact O-NE2 2.86Å; H9-R11 PolarHBondContact O-N 2.82Å
10I81.2Confident72.6Confident97 Ų97114.2 Ų114.250%0.49756%0.558SS.*SBendtrans-64.5-28.6178.1-60.2172.4000111.4Y8 Y119 Y121Y8-I10 HydrophobicContact CD1-CG1 3.93Å; Y8-I10 HydrophobicContact CE1-CG1 3.75Å; Y8-I10 PolarHBondContact O-N 2.99Å; I10-Y119 VanDerWaalsContact O-CE1 3.31Å; I10-Y119 WeakPolarHBondContact O-CE1 3.31Å; I10-Y121 HydrophobicContact CG2-CD1 3.81Å; I10-Y121 HydrophobicContact CG2-CE1 4.03Å; I10-Y121 WeakPolarHBondContact O-CD1 3.31Å; I10-Y121 WeakPolarHBondContact O-CE1 3.35Å
11R82.7Confident73.7Confident126 Ų126112.1 Ų112.148%0.47556%0.559SS.*SBendtrans-119.9145-176.6-68.6176.1176.6-113.16.5110.8H9 D95H9-R11 PolarHBondContact O-N 2.82Å; R11-D95 IonicContact CZ-OD2 3.5Å; R11-D95 VanDerWaalsContact NH1-CG 3.28Å; R11-D95 IonicContact NH1-OD2 2.68Å; R11-D95 PolarHBondContact NH1-OD2 2.85Å; R11-D95 IonicContact NH2-OD2 3.37Å; R11-D95 PolarHBondContact NH2-OD2 3.37Å
12P83.2Confident76.5Confident11 Ų11103.3 Ų103.37%0.07152%0.518CS..  trans-69.5140.7178.827.1-31.1000110.9K17 Y68 T96 Y119P12-K17 HydrophobicContact CB-CG 4.15Å; P12-K17 HydrophobicContact CG-CG 3.78Å; P12-Y68 HydrophobicContact CG-CE2 4.49Å; P12-T96 HydrophobicContact CG-CG2 4.15Å; P12-Y119 HydrophobicContact CB-CD2 4.32Å; P12-Y119 HydrophobicContact CB-CE2 3.64Å; P12-Y119 VanDerWaalsContact CD-CZ 3.48Å; P12-Y119 HydrophobicContact CG-CD2 3.89Å; P12-Y119 HydrophobicContact CG-CE2 3.62Å; P12-Y119 HydrophobicContact CG-CG 4.49Å
13N84.5Confident79.1Confident96 Ų9696.5 Ų96.551%0.51348%0.477SS..  trans-58.1146.4166.2-76.9-36.7000110.1R15 L16 K17N13-R15 PolarHBondContact O-N 2.94Å; N13-L16 HydrophobicContact CB-CD1 4.35Å; N13-L16 PolarHBondContact O-N 2.82Å; N13-K17 PolarHBondContact O-N 2.98Å
14H82.4Confident81.5Confident156 Ų15692.1 Ų92.172%0.72246%0.455SS*.G310 helixtrans-52.4-35.1-175.5-17493000113.4L16 K17H14-L16 VanDerWaalsContact C-N 3.3Å; H14-L16 PolarHBondContact O-N 3.3Å; H14-K17 PolarHBondContact O-N 2.81Å
15R84.7Confident83.6Confident191 Ų19191.6 Ų91.672%0.72145%0.445SS*.G310 helixtrans-61.9-37.5177.4-172.8174.868.1176.80.9113N13 K19N13-R15 PolarHBondContact O-N 2.94Å; R15-K19 WeakPolarHBondContact O-CE 3.37Å; R15-K19 PolarHBondContact O-NZ 3.08Å
16L88.3Confident86Confident37 Ų3789.5 Ų89.519%0.19442%0.422CS..G310 helixtrans-92.8-4-173.4-57.1175000113N13 H14 E64 F65 D66N13-L16 HydrophobicContact CB-CD1 4.35Å; N13-L16 PolarHBondContact O-N 2.82Å; H14-L16 VanDerWaalsContact C-N 3.3Å; H14-L16 PolarHBondContact O-N 3.3Å; L16-E64 WeakPolarHBondContact CD2-O 3.43Å; L16-F65 WeakPolarHBondContact O-CA 3.43Å; L16-D66 HydrophobicContact CB-CB 3.88Å; L16-D66 HydrophobicContact CD1-CB 3.86Å; L16-D66 HydrophobicContact CD2-CB 4.39Å; L16-D66 HydrophobicContact CG-CB 4.25Å; L16-D66 PolarHBondContact O-N 2.82Å
17K92.1Very high88.1Confident61 Ų6181.2 Ų81.227%0.26538%0.378SS..SBendtrans-64.5148.3174.9-77.5-167.6175.7-157.30111.4P12 N13 H14 K19 F65 D95P12-K17 HydrophobicContact CB-CG 4.15Å; P12-K17 HydrophobicContact CG-CG 3.78Å; N13-K17 PolarHBondContact O-N 2.98Å; H14-K17 PolarHBondContact O-N 2.81Å; K17-K19 PolarHBondContact O-N 2.9Å; K17-F65 VanDerWaalsContact O-CD1 3.23Å; K17-F65 WeakPolarHBondContact O-CD1 3.27Å; K17-F65 WeakPolarHBondContact O-CE1 3.35Å; K17-D95 PolarHBondContact NZ-O 2.87Å
18F94.4Very high89.8Confident11 Ų1180.2 Ų80.25%0.04837%0.367CS..  trans-58129.6168.9-175.5-82.9000110.2P20 V23 F65 Y68 I70 N98 V115F18-P20 HydrophobicContact CD1-CG 4.06Å; F18-P20 HydrophobicContact CE1-CB 4.43Å; F18-P20 HydrophobicContact CE1-CG 4.05Å; F18-P20 WeakPolarHBondContact O-CD 3.26Å; F18-V23 HydrophobicContact CD2-CG2 4.49Å; F18-V23 HydrophobicContact CE1-CG2 4.19Å; F18-V23 HydrophobicContact CE2-CG2 3.83Å; F18-V23 HydrophobicContact CZ-CB 4.05Å; F18-V23 HydrophobicContact CZ-CG1 4.05Å; F18-V23 HydrophobicContact CZ-CG2 3.67Å; F18-F65 HydrophobicContact CD2-CD2 4.11Å; F18-F65 HydrophobicContact CD2-CE2 4.08Å; F18-F65 HydrophobicContact CE2-CE2 4.46Å; F18-Y68 HydrophobicContact CB-CD1 4.14Å; F18-Y68 HydrophobicContact CB-CE1 3.71Å; F18-Y68 HydrophobicContact CB-CE2 4.26Å; F18-Y68 PolarHBondContact N-OH 2.85Å; F18-I70 HydrophobicContact CD2-CD1 4.16Å; F18-I70 HydrophobicContact CE2-CD1 4.15Å; F18-N98 HydrophobicContact CD1-CB 3.69Å; F18-N98 HydrophobicContact CE1-CB 4.16Å; F18-V115 HydrophobicContact CE2-CG1 4.29Å; F18-V115 HydrophobicContact CZ-CG1 4.25Å
19K95.4Very high91.1Very high78 Ų7877.1 Ų77.134%0.33936%0.362SS..  trans-114.798.7-177.1-71168.7-166.5161.20110.3R15 K17 A21 V22 V23 F65R15-K19 WeakPolarHBondContact O-CE 3.37Å; R15-K19 PolarHBondContact O-NZ 3.08Å; K17-K19 PolarHBondContact O-N 2.9Å; K19-A21 VanDerWaalsContact C-N 3.25Å; K19-A21 PolarHBondContact O-N 2.97Å; K19-V22 HydrophobicContact CB-CB 4.09Å; K19-V22 HydrophobicContact CB-CG2 3.88Å; K19-V22 HydrophobicContact CD-CG2 4.25Å; K19-V22 PolarHBondContact O-N 2.87Å; K19-V23 PolarHBondContact O-N 2.58Å; K19-V23 VanDerWaalsContact O-N 3.13Å; K19-F65 HydrophobicContact CB-CE1 4.12Å; K19-F65 HydrophobicContact CB-CZ 4.29Å; K19-F65 HydrophobicContact CD-CE1 4.47Å; K19-F65 HydrophobicContact CG-CE1 4.3Å
20P96.3Very high92.5Very high40 Ų4073 Ų7326%0.2634%0.343SS..Hα-helixtrans-54.1-39.9-177.7-29.836.6000113.8F18 V22 V23 K24 N98 Y99 A100F18-P20 HydrophobicContact CD1-CG 4.06Å; F18-P20 HydrophobicContact CE1-CB 4.43Å; F18-P20 HydrophobicContact CE1-CG 4.05Å; F18-P20 WeakPolarHBondContact O-CD 3.26Å; P20-V22 VanDerWaalsContact C-N 3.34Å; P20-V22 PolarHBondContact O-N 3.13Å; P20-V23 PolarHBondContact O-N 2.88Å; P20-K24 VanDerWaalsContact O-CB 3.25Å; P20-K24 WeakPolarHBondContact O-CB 3.17Å; P20-K24 PolarHBondContact O-N 3.35Å; P20-N98 HydrophobicContact CG-CB 3.94Å; P20-N98 WeakPolarHBondContact CG-ND2 3.42Å; P20-N98 WeakPolarHBondContact CG-OD1 3.36Å; P20-Y99 WeakPolarHBondContact CB-O 3.4Å; P20-A100 HydrophobicContact CB-CB 4.29Å; P20-A100 WeakPolarHBondContact O-CB 3.36Å
21A96.6Very high93.3Very high70 Ų7068.5 Ų68.558%0.57932%0.32SS*.Hα-helixtrans-64.2-36.5-179.600000113.3K19 R25K19-A21 VanDerWaalsContact C-N 3.25Å; K19-A21 PolarHBondContact O-N 2.97Å; A21-R25 WeakPolarHBondContact O-CG 3.34Å; A21-R25 PolarHBondContact O-N 3.34Å
22V96.3Very high94Very high50 Ų5068.8 Ų68.830%0.30332%0.321SS..Hα-helixtrans-70.9-46.6177176.30000109.7K19 P20 K24 R25 Y26K19-V22 HydrophobicContact CB-CB 4.09Å; K19-V22 HydrophobicContact CB-CG2 3.88Å; K19-V22 HydrophobicContact CD-CG2 4.25Å; K19-V22 PolarHBondContact O-N 2.87Å; P20-V22 VanDerWaalsContact C-N 3.34Å; P20-V22 PolarHBondContact O-N 3.13Å; V22-K24 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 3.43Å; V22-R25 WeakPolarHBondContact O-CB 3.27Å; V22-R25 PolarHBondContact O-N 2.8Å; V22-Y26 HydrophobicContact CG1-CD2 4.44Å; V22-Y26 HydrophobicContact CG1-CE1 4.2Å; V22-Y26 HydrophobicContact CG1-CE2 3.84Å; V22-Y26 PolarHBondContact O-N 3.38Å; V22-Y26 VanDerWaalsContact O-N 3.13Å
23V97.9Very high94.6Very high0 Ų075.4 Ų75.40%035%0.351CS..Hα-helixtrans-63.1-41.8179.3176.50000111.2F18 K19 P20 R25 Y26 I27 V60 F65 A100 V115F18-V23 HydrophobicContact CD2-CG2 4.49Å; F18-V23 HydrophobicContact CE1-CG2 4.19Å; F18-V23 HydrophobicContact CE2-CG2 3.83Å; F18-V23 HydrophobicContact CZ-CB 4.05Å; F18-V23 HydrophobicContact CZ-CG1 4.05Å; F18-V23 HydrophobicContact CZ-CG2 3.67Å; K19-V23 PolarHBondContact O-N 2.58Å; K19-V23 VanDerWaalsContact O-N 3.13Å; P20-V23 PolarHBondContact O-N 2.88Å; V23-R25 VanDerWaalsContact C-N 3.3Å; V23-R25 PolarHBondContact O-N 3.1Å; V23-Y26 WeakPolarHBondContact O-CB 3.41Å; V23-Y26 PolarHBondContact O-N 2.86Å; V23-Y26 VanDerWaalsContact O-N 3.13Å; V23-I27 HydrophobicContact CG1-CD1 4.07Å; V23-I27 HydrophobicContact CG1-CG1 4.39Å; V23-I27 WeakPolarHBondContact O-CG1 3.46Å; V23-I27 PolarHBondContact O-N 2.7Å; V23-V60 HydrophobicContact CG1-CG2 3.77Å; V23-V60 HydrophobicContact CG2-CG1 4.2Å; V23-V60 HydrophobicContact CG2-CG2 4.29Å; V23-F65 HydrophobicContact CG2-CE2 3.71Å; V23-F65 HydrophobicContact CG2-CZ 3.93Å; V23-A100 HydrophobicContact CB-CB 3.96Å; V23-A100 HydrophobicContact CG1-CB 3.83Å; V23-V115 HydrophobicContact CG1-CB 3.81Å; V23-V115 HydrophobicContact CG1-CG1 3.85Å; V23-V115 HydrophobicContact CG1-CG2 4.06Å
24K98.2Very high95.1Very high90 Ų9076.8 Ų76.839%0.39135%0.349SS..Hα-helixtrans-58.4-40.6175.5-176163.5-175.7141.80112.4P20 V22 I27 H28 A100 D101P20-K24 VanDerWaalsContact O-CB 3.25Å; P20-K24 WeakPolarHBondContact O-CB 3.17Å; P20-K24 PolarHBondContact O-N 3.35Å; V22-K24 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 3.43Å; K24-I27 PolarHBondContact O-N 3.5Å; K24-H28 WeakPolarHBondContact O-CB 3.47Å; K24-H28 PolarHBondContact O-N 2.94Å; K24-A100 HydrophobicContact CB-CB 4.26Å; K24-D101 WeakPolarHBondContact CD-O 3.23Å; K24-D101 WeakPolarHBondContact CE-O 3.39Å; K24-D101 PolarHBondContact NZ-O 3.34Å; K24-D101 VanDerWaalsContact NZ-O 3.08Å
25R98.1Very high95.8Very high180 Ų18069.4 Ų69.468%0.67932%0.315SS*.Hα-helixtrans-63.2-44.3174.4-71.5176.3-177-167.90111.9A21 V22 V23 I27 H28 D29A21-R25 WeakPolarHBondContact O-CG 3.34Å; A21-R25 PolarHBondContact O-N 3.34Å; V22-R25 WeakPolarHBondContact O-CB 3.27Å; V22-R25 PolarHBondContact O-N 2.8Å; V23-R25 VanDerWaalsContact C-N 3.3Å; V23-R25 PolarHBondContact O-N 3.1Å; R25-I27 VanDerWaalsContact C-N 3.34Å; R25-I27 PolarHBondContact O-N 2.88Å; R25-H28 WeakPolarHBondContact O-CB 3.36Å; R25-H28 PolarHBondContact O-N 2.73Å; R25-D29 PolarHBondContact O-N 2.98Å
26Y97.9Very high96.3Very high56 Ų5662.8 Ų62.822%0.2230%0.298CS..Hα-helixtrans-60.5-43.2176.2-64.7-17.8000112.6V22 V23 I30 K59 V60 A63V22-Y26 HydrophobicContact CG1-CD2 4.44Å; V22-Y26 HydrophobicContact CG1-CE1 4.2Å; V22-Y26 HydrophobicContact CG1-CE2 3.84Å; V22-Y26 PolarHBondContact O-N 3.38Å; V22-Y26 VanDerWaalsContact O-N 3.13Å; V23-Y26 WeakPolarHBondContact O-CB 3.41Å; V23-Y26 PolarHBondContact O-N 2.86Å; V23-Y26 VanDerWaalsContact O-N 3.13Å; Y26-I30 WeakPolarHBondContact O-CB 3.49Å; Y26-I30 WeakPolarHBondContact O-CD1 3.32Å; Y26-I30 VanDerWaalsContact O-CG1 3.22Å; Y26-I30 WeakPolarHBondContact O-CG1 3.25Å; Y26-I30 PolarHBondContact O-N 2.85Å; Y26-I30 VanDerWaalsContact O-N 3.15Å; Y26-K59 HydrophobicContact CD1-CG 4.16Å; Y26-K59 HydrophobicContact CD2-CG 3.73Å; Y26-K59 HydrophobicContact CE2-CG 4.2Å; Y26-K59 HydrophobicContact CG-CG 3.7Å; Y26-V60 HydrophobicContact CD2-CG2 4.35Å; Y26-A63 HydrophobicContact CE2-CB 4.1Å
27I98.3Very high96.6Very high0 Ų068.7 Ų68.70%033%0.33CS..Hα-helixtrans-58.4-52.4174-63166.3000109.3V23 K24 R25 D29 I30 V31 I56 A100 D102 V113 V115V23-I27 HydrophobicContact CG1-CD1 4.07Å; V23-I27 HydrophobicContact CG1-CG1 4.39Å; V23-I27 WeakPolarHBondContact O-CG1 3.46Å; V23-I27 PolarHBondContact O-N 2.7Å; K24-I27 PolarHBondContact O-N 3.5Å; R25-I27 VanDerWaalsContact C-N 3.34Å; R25-I27 PolarHBondContact O-N 2.88Å; I27-D29 PolarHBondContact O-N 2.96Å; I27-I30 PolarHBondContact O-N 3.18Å; I27-V31 HydrophobicContact CG2-CG2 4.05Å; I27-V31 VanDerWaalsContact O-CB 3.31Å; I27-V31 WeakPolarHBondContact O-CB 3.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.34Å; I27-V31 PolarHBondContact O-N 3.13Å; I27-I56 HydrophobicContact CG1-CG2 3.99Å; I27-A100 HydrophobicContact CD1-CB 4.28Å; I27-D102 HydrophobicContact CB-CB 4.27Å; I27-D102 HydrophobicContact CG2-CB 3.56Å; I27-V113 HydrophobicContact CD1-CG1 4.16Å; I27-V113 HydrophobicContact CG1-CG1 4.15Å; I27-V113 HydrophobicContact CG2-CB 3.61Å; I27-V113 HydrophobicContact CG2-CG1 3.76Å; I27-V113 HydrophobicContact CG2-CG2 4.05Å; I27-V115 HydrophobicContact CD1-CB 4.26Å; I27-V115 HydrophobicContact CD1-CG2 3.6Å; I27-V115 HydrophobicContact CG1-CG2 3.95Å
28H98.2Very high96.7Very high62 Ų6268.7 Ų68.729%0.28733%0.331SS..Hα-helixtrans-56-50.5-176.7-17172.1000112.7K24 R25 R32 D102K24-H28 WeakPolarHBondContact O-CB 3.47Å; K24-H28 PolarHBondContact O-N 2.94Å; R25-H28 WeakPolarHBondContact O-CB 3.36Å; R25-H28 PolarHBondContact O-N 2.73Å; H28-R32 PolarHBondContact NE2-NH1 3.36Å; H28-R32 VanDerWaalsContact O-CB 3.23Å; H28-R32 WeakPolarHBondContact O-CB 3.18Å; H28-R32 PolarHBondContact O-N 3.29Å; H28-D102 WeakPolarHBondContact CA-OD2 3.19Å; H28-D102 WeakPolarHBondContact CB-OD2 3.5Å; H28-D102 IonicContact CG-OD2 2.72Å; H28-D102 IonicContact ND1-OD2 3.13Å; H28-D102 PolarHBondContact ND1-OD2 3.3Å
29D98.1Very high96.8Very high96 Ų9675.6 Ų75.651%0.51336%0.364SS..Hα-helixtrans-65.3-47.8-176.2-63.8-21.7000110.8R25 I27 E33R25-D29 PolarHBondContact O-N 2.98Å; I27-D29 PolarHBondContact O-N 2.96Å; D29-E33 VanDerWaalsContact O-CB 3.25Å; D29-E33 WeakPolarHBondContact O-CB 3.31Å; D29-E33 PolarHBondContact O-N 3.2Å
30I97.9Very high96.8Very high24 Ų2474.9 Ų74.912%0.12336%0.359CS..Hα-helixtrans-64.1-46.8-179.3-68.1169.3000111Y26 I27 E33 R34 L52 I56 K59Y26-I30 WeakPolarHBondContact O-CB 3.49Å; Y26-I30 WeakPolarHBondContact O-CD1 3.32Å; Y26-I30 VanDerWaalsContact O-CG1 3.22Å; Y26-I30 WeakPolarHBondContact O-CG1 3.25Å; Y26-I30 PolarHBondContact O-N 2.85Å; Y26-I30 VanDerWaalsContact O-N 3.15Å; I27-I30 PolarHBondContact O-N 3.18Å; I30-E33 PolarHBondContact O-N 2.79Å; I30-R34 HydrophobicContact CG2-CG 4.41Å; I30-R34 WeakPolarHBondContact O-CB 3.43Å; I30-R34 VanDerWaalsContact O-CG 3.25Å; I30-R34 WeakPolarHBondContact O-CG 3.39Å; I30-R34 PolarHBondContact O-N 3.46Å; I30-L52 HydrophobicContact CG2-CD2 3.97Å; I30-I56 HydrophobicContact CB-CG1 4.31Å; I30-I56 HydrophobicContact CD1-CG1 4Å; I30-I56 HydrophobicContact CG2-CG1 3.96Å; I30-K59 HydrophobicContact CD1-CB 3.72Å; I30-K59 HydrophobicContact CD1-CG 3.96Å
31V97.6Very high96.9Very high3 Ų375.6 Ų75.62%0.01836%0.361CS..Hα-helixtrans-67.5-42.6-176.5176.30000110.3I27 R34 L35 I56 F104 C111 V113I27-V31 HydrophobicContact CG2-CG2 4.05Å; I27-V31 VanDerWaalsContact O-CB 3.31Å; I27-V31 WeakPolarHBondContact O-CB 3.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.34Å; I27-V31 PolarHBondContact O-N 3.13Å; V31-R34 PolarHBondContact O-N 3.06Å; V31-L35 HydrophobicContact CG1-CD1 3.74Å; V31-L35 HydrophobicContact CG1-CG 4.29Å; V31-L35 VanDerWaalsContact O-CB 3.28Å; V31-L35 WeakPolarHBondContact O-CB 3.48Å; V31-L35 PolarHBondContact O-N 3.35Å; V31-I56 HydrophobicContact CG2-CD1 4.07Å; V31-F104 HydrophobicContact CG1-CB 3.34Å; V31-F104 HydrophobicContact CG1-CD1 4.23Å; V31-F104 HydrophobicContact CG1-CD2 4.33Å; V31-F104 HydrophobicContact CG1-CG 3.72Å; V31-C111 HydrophobicContact CG1-CB 4.3Å; V31-V113 HydrophobicContact CG2-CG2 3.8Å
32R96.9Very high96.8Very high133 Ų13376.7 Ų76.750%0.50236%0.363SS..Hα-helixtrans-63.4-47.6175.9-179.2179.6-95.8152.40.1111.2H28 R34 S36H28-R32 PolarHBondContact NE2-NH1 3.36Å; H28-R32 VanDerWaalsContact O-CB 3.23Å; H28-R32 WeakPolarHBondContact O-CB 3.18Å; H28-R32 PolarHBondContact O-N 3.29Å; R32-R34 VanDerWaalsContact C-N 3.27Å; R32-R34 PolarHBondContact O-N 3.21Å; R32-S36 WeakPolarHBondContact CG-OG 3.17Å; R32-S36 VanDerWaalsContact O-CB 3.27Å; R32-S36 WeakPolarHBondContact O-CB 3.34Å; R32-S36 PolarHBondContact O-N 3.41Å; R32-S36 VanDerWaalsContact O-N 3.13Å; R32-S36 PolarHBondContact O-OG 3.2Å
33E96.9Very high96.8Very high149 Ų14982.6 Ų82.670%0.69639%0.387SS*.Hα-helixtrans-57.4-42.6178.8-176.6-172.4163.600111.6D29 I30D29-E33 VanDerWaalsContact O-CB 3.25Å; D29-E33 WeakPolarHBondContact O-CB 3.31Å; D29-E33 PolarHBondContact O-N 3.2Å; I30-E33 PolarHBondContact O-N 2.79Å
34R95.4Very high96.7Very high126 Ų12685.5 Ų85.548%0.47541%0.405SS..Hα-helixtrans-82.3-35.4-174.6-68.2-69.6-176.4152.31.7113.9I30 V31 R32 M38 L52I30-R34 HydrophobicContact CG2-CG 4.41Å; I30-R34 WeakPolarHBondContact O-CB 3.43Å; I30-R34 VanDerWaalsContact O-CG 3.25Å; I30-R34 WeakPolarHBondContact O-CG 3.39Å; I30-R34 PolarHBondContact O-N 3.46Å; V31-R34 PolarHBondContact O-N 3.06Å; R32-R34 VanDerWaalsContact C-N 3.27Å; R32-R34 PolarHBondContact O-N 3.21Å; R34-M38 WeakPolarHBondContact O-CG 3.35Å; R34-L52 HydrophobicContact CB-CD2 3.88Å; R34-L52 HydrophobicContact CG-CD2 3.96Å
35L96.6Very high96.6Very high0 Ų082.2 Ų82.20%039%0.392CS..Hα-helixtrans-107.6-8-168-58.7-172.9000114.8V31 D37 M38 L48 L52 I76 F104 N106 L109 C111V31-L35 HydrophobicContact CG1-CD1 3.74Å; V31-L35 HydrophobicContact CG1-CG 4.29Å; V31-L35 VanDerWaalsContact O-CB 3.28Å; V31-L35 WeakPolarHBondContact O-CB 3.48Å; V31-L35 PolarHBondContact O-N 3.35Å; L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 2.92Å; L35-M38 HydrophobicContact CD2-SD 3.83Å; L35-M38 PolarHBondContact O-N 3.44Å; L35-L48 HydrophobicContact CD2-CD1 4.1Å; L35-L48 HydrophobicContact CD2-CD2 3.75Å; L35-L48 HydrophobicContact CD2-CG 4.21Å; L35-L52 HydrophobicContact CD1-CD1 4.1Å; L35-L52 HydrophobicContact CD2-CD1 3.98Å; L35-L52 HydrophobicContact CG-CD1 4.21Å; L35-I76 HydrophobicContact CD1-CD1 4.38Å; L35-F104 HydrophobicContact CB-CD1 3.76Å; L35-F104 HydrophobicContact CB-CE1 3.41Å; L35-F104 VanDerWaalsContact CB-CE1 3.41Å; L35-F104 HydrophobicContact CB-CZ 3.97Å; L35-F104 HydrophobicContact CD1-CD1 4Å; L35-F104 HydrophobicContact CD1-CE1 4.44Å; L35-N106 PolarHBondContact O-ND2 2.86Å; L35-L109 HydrophobicContact CB-CD1 4.45Å; L35-L109 HydrophobicContact CD1-CD1 4.04Å; L35-C111 HydrophobicContact CD1-CB 3.44Å; L35-C111 VanDerWaalsContact CD1-CB 3.44Å
36S95.1Very high96.5Very high52 Ų5276.7 Ų76.736%0.36439%0.385SS..THydrogen-bonded Turntrans-57.3-43.8-177.9-67.30000112.9R32R32-S36 WeakPolarHBondContact CG-OG 3.17Å; R32-S36 VanDerWaalsContact O-CB 3.27Å; R32-S36 WeakPolarHBondContact O-CB 3.34Å; R32-S36 PolarHBondContact O-N 3.41Å; R32-S36 VanDerWaalsContact O-N 3.13Å; R32-S36 PolarHBondContact O-OG 3.2Å
37D93.9Very high96.5Very high162 Ų16281.1 Ų81.187%0.86641%0.408SS*.THydrogen-bonded Turntrans-103.611.4-176.2-57.1-51000113.2L35L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 2.92Å
38M94.4Very high96.4Very high60 Ų6082.4 Ų82.430%0.29641%0.414SS..PPolyproline II helixtrans-94.7141.8-178.6-70.7-165.174.100112.6R34 L35 L48 N106R34-M38 WeakPolarHBondContact O-CG 3.35Å; L35-M38 HydrophobicContact CD2-SD 3.83Å; L35-M38 PolarHBondContact O-N 3.44Å; M38-L48 HydrophobicContact CE-CD1 3.95Å; M38-L48 HydrophobicContact CE-CD2 3.52Å; M38-L48 HydrophobicContact CE-CG 4.3Å; M38-L48 HydrophobicContact SD-CD1 3.7Å; M38-L48 HydrophobicContact SD-CD2 3.82Å; M38-L48 HydrophobicContact SD-CG 4.41Å; M38-N106 PolarHBondContact O-ND2 2.66Å
39Q96.3Very high96.3Very high157 Ų15781 Ų8173%0.73441%0.41SS*.PPolyproline II helixtrans-100.5154.3166.8-65.4-170.1-2.700110.6D41Q39-D41 PolarHBondContact O-N 3.41Å
40Y96.8Very high96.3Very high62 Ų6284.6 Ų84.624%0.24342%0.416CS..PPolyproline II helixtrans-66.1126.4174-174.2-92.7000110.1P42 V45 I76 E78 S108 L109Y40-P42 HydrophobicContact CE1-CB 4.19Å; Y40-V45 HydrophobicContact CD2-CG2 4.42Å; Y40-V45 HydrophobicContact CE2-CB 4.33Å; Y40-V45 HydrophobicContact CE2-CG1 4.4Å; Y40-V45 HydrophobicContact CE2-CG2 3.95Å; Y40-I76 HydrophobicContact CD2-CG2 4.44Å; Y40-E78 HydrophobicContact CD1-CB 3.75Å; Y40-E78 HydrophobicContact CD1-CG 3.64Å; Y40-E78 HydrophobicContact CD2-CB 3.83Å; Y40-E78 HydrophobicContact CD2-CG 4.34Å; Y40-E78 HydrophobicContact CE1-CB 3.83Å; Y40-E78 HydrophobicContact CE1-CG 4.14Å; Y40-E78 HydrophobicContact CE2-CB 3.9Å; Y40-E78 HydrophobicContact CG-CB 3.74Å; Y40-E78 HydrophobicContact CG-CG 3.75Å; Y40-S108 WeakPolarHBondContact CB-OG 3.47Å; Y40-S108 PolarHBondContact N-OG 3.42Å; Y40-L109 HydrophobicContact CD2-CB 4.19Å
41D96.8Very high96.3Very high56 Ų5685.7 Ų85.730%0.29943%0.427SS..  trans-135.3117.5172.4166.620.9000109.3Q39 E43 T44 V45Q39-D41 PolarHBondContact O-N 3.41Å; D41-E43 PolarHBondContact O-N 2.93Å; D41-E43 PolarHBondContact OD1-N 3.15Å; D41-T44 WeakPolarHBondContact CB-OG1 3.25Å; D41-T44 VanDerWaalsContact CG-OG1 3.31Å; D41-T44 PolarHBondContact O-N 3.13Å; D41-T44 WeakPolarHBondContact OD2-CB 3.34Å; D41-T44 WeakPolarHBondContact OD2-CG2 3.29Å; D41-T44 PolarHBondContact OD2-OG1 2.93Å; D41-V45 VanDerWaalsContact O-CB 3.25Å; D41-V45 WeakPolarHBondContact O-CB 3.38Å; D41-V45 PolarHBondContact O-N 3.43Å
42P95.5Very high96.4Very high93 Ų9385.7 Ų85.760%0.60443%0.426SS*.THydrogen-bonded Turntrans-63.3-22-177.627.5-35.6000113.7Y40Y40-P42 HydrophobicContact CE1-CB 4.19Å
43E96.6Very high96.4Very high174 Ų17480.4 Ų80.481%0.81341%0.411SS*.THydrogen-bonded Turntrans-78.4-36.1179.9-61.5-170.5172.600111.8D41D41-E43 PolarHBondContact O-N 2.93Å; D41-E43 PolarHBondContact OD1-N 3.15Å
44T95Very high96.5Very high61 Ų6177.7 Ų77.737%0.37440%0.398SS..THydrogen-bonded Turntrans-101.9-17.7-17557.10000114.2D41 A46 E47 L48D41-T44 WeakPolarHBondContact CB-OG1 3.25Å; D41-T44 VanDerWaalsContact CG-OG1 3.31Å; D41-T44 PolarHBondContact O-N 3.13Å; D41-T44 WeakPolarHBondContact OD2-CB 3.34Å; D41-T44 WeakPolarHBondContact OD2-CG2 3.29Å; D41-T44 PolarHBondContact OD2-OG1 2.93Å; T44-A46 VanDerWaalsContact C-N 3.25Å; T44-A46 PolarHBondContact O-N 3.13Å; T44-A46 VanDerWaalsContact O-N 3.16Å; T44-E47 PolarHBondContact O-N 2.91Å; T44-E47 VanDerWaalsContact O-N 3.13Å; T44-L48 PolarHBondContact O-N 3.47Å
45V96Very high96.6Very high20 Ų2073.4 Ų73.412%0.12139%0.388CS..Hα-helixtrans-59-33-174.569.80000113.6Y40 D41 L48 T49 I76Y40-V45 HydrophobicContact CD2-CG2 4.42Å; Y40-V45 HydrophobicContact CE2-CB 4.33Å; Y40-V45 HydrophobicContact CE2-CG1 4.4Å; Y40-V45 HydrophobicContact CE2-CG2 3.95Å; D41-V45 VanDerWaalsContact O-CB 3.25Å; D41-V45 WeakPolarHBondContact O-CB 3.38Å; D41-V45 PolarHBondContact O-N 3.43Å; V45-L48 PolarHBondContact O-N 2.92Å; V45-T49 VanDerWaalsContact O-CB 3.29Å; V45-T49 WeakPolarHBondContact O-CB 3.46Å; V45-T49 PolarHBondContact O-N 3.41Å; V45-T49 PolarHBondContact O-OG1 2.68Å; V45-I76 HydrophobicContact CG2-CB 3.79Å; V45-I76 HydrophobicContact CG2-CG2 3.51Å
46A96.6Very high96.7Very high65 Ų6573.4 Ų73.454%0.53739%0.388SS..Hα-helixtrans-66.5-41.9179.800000111.9T44 R50T44-A46 VanDerWaalsContact C-N 3.25Å; T44-A46 PolarHBondContact O-N 3.13Å; T44-A46 VanDerWaalsContact O-N 3.16Å; A46-R50 PolarHBondContact O-N 3.49Å
47E96.9Very high96.8Very high149 Ų14974 Ų7470%0.69638%0.384SS*.Hα-helixtrans-69.8-45.4175.7-176.1175.2-178.500110.9T44 T49 R50 S51T44-E47 PolarHBondContact O-N 2.91Å; T44-E47 VanDerWaalsContact O-N 3.13Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.37Å; E47-R50 PolarHBondContact O-N 3.4Å; E47-R50 VanDerWaalsContact O-N 3.16Å; E47-S51 WeakPolarHBondContact O-CB 3.17Å; E47-S51 PolarHBondContact O-N 3Å
48L96.3Very high97Very high26 Ų2670.2 Ų70.214%0.13636%0.364CS..Hα-helixtrans-54.8-46.7175.9177.662.8000111.9L35 M38 T44 V45 R50 S51 L52 I76L35-L48 HydrophobicContact CD2-CD1 4.1Å; L35-L48 HydrophobicContact CD2-CD2 3.75Å; L35-L48 HydrophobicContact CD2-CG 4.21Å; M38-L48 HydrophobicContact CE-CD1 3.95Å; M38-L48 HydrophobicContact CE-CD2 3.52Å; M38-L48 HydrophobicContact CE-CG 4.3Å; M38-L48 HydrophobicContact SD-CD1 3.7Å; M38-L48 HydrophobicContact SD-CD2 3.82Å; M38-L48 HydrophobicContact SD-CG 4.41Å; T44-L48 PolarHBondContact O-N 3.47Å; V45-L48 PolarHBondContact O-N 2.92Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.85Å; L48-S51 PolarHBondContact O-N 2.88Å; L48-L52 HydrophobicContact CD1-CD1 4.13Å; L48-L52 HydrophobicContact CD1-CG 4.42Å; L48-L52 HydrophobicContact CG-CD1 4.12Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 3.16Å; L48-I76 HydrophobicContact CD2-CD1 3.89Å; L48-I76 HydrophobicContact CG-CD1 3.95Å
49T97.8Very high97.1Very high32 Ų3271.7 Ų71.720%0.19637%0.368CS..Hα-helixtrans-59.6-45.1178.7-60.40000111.2V45 E47 A53 V74V45-T49 VanDerWaalsContact O-CB 3.29Å; V45-T49 WeakPolarHBondContact O-CB 3.46Å; V45-T49 PolarHBondContact O-N 3.41Å; V45-T49 PolarHBondContact O-OG1 2.68Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.37Å; T49-A53 PolarHBondContact O-N 2.94Å; T49-A53 VanDerWaalsContact O-N 3.08Å; T49-V74 HydrophobicContact CG2-CB 3.99Å; T49-V74 HydrophobicContact CG2-CG1 3.94Å
50R98Very high97.1Very high172 Ų17264.2 Ų64.265%0.64933%0.333SS*.Hα-helixtrans-66.1-46.1178.4-171.2-176.2-58.11664.9111.5A46 E47 L48 L52 A53 E54A46-R50 PolarHBondContact O-N 3.49Å; E47-R50 PolarHBondContact O-N 3.4Å; E47-R50 VanDerWaalsContact O-N 3.16Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.85Å; R50-L52 VanDerWaalsContact C-N 3.32Å; R50-L52 PolarHBondContact O-N 3.48Å; R50-A53 PolarHBondContact O-N 3.02Å; R50-E54 WeakPolarHBondContact O-CG 3.46Å; R50-E54 PolarHBondContact O-N 2.84Å
51S97.9Very high96.9Very high48 Ų4867.5 Ų67.534%0.33635%0.349SS..Hα-helixtrans-60.7-40.6179.5-178.30000111.9E47 L48 E54 S55E47-S51 WeakPolarHBondContact O-CB 3.17Å; E47-S51 PolarHBondContact O-N 3Å; L48-S51 PolarHBondContact O-N 2.88Å; S51-E54 PolarHBondContact O-N 2.93Å; S51-S55 WeakPolarHBondContact O-CB 3.42Å; S51-S55 PolarHBondContact O-N 3.19Å; S51-S55 PolarHBondContact O-OG 3.42Å
52L97.8Very high96.7Very high2 Ų269 Ų691%0.0136%0.36CS..Hα-helixtrans-64.2-45.9173.7-81.6166.4000112.1I30 R34 L35 L48 R50 E54 S55 I56 V74 I76I30-L52 HydrophobicContact CG2-CD2 3.97Å; R34-L52 HydrophobicContact CB-CD2 3.88Å; R34-L52 HydrophobicContact CG-CD2 3.96Å; L35-L52 HydrophobicContact CD1-CD1 4.1Å; L35-L52 HydrophobicContact CD2-CD1 3.98Å; L35-L52 HydrophobicContact CG-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CD1 4.13Å; L48-L52 HydrophobicContact CD1-CG 4.42Å; L48-L52 HydrophobicContact CG-CD1 4.12Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 3.16Å; R50-L52 VanDerWaalsContact C-N 3.32Å; R50-L52 PolarHBondContact O-N 3.48Å; L52-E54 VanDerWaalsContact C-N 3.28Å; L52-E54 PolarHBondContact O-N 2.82Å; L52-S55 PolarHBondContact O-N 3.08Å; L52-I56 WeakPolarHBondContact O-CB 3.22Å; L52-I56 VanDerWaalsContact O-CG1 3.22Å; L52-I56 WeakPolarHBondContact O-CG1 3.38Å; L52-I56 PolarHBondContact O-N 3.44Å; L52-V74 HydrophobicContact CB-CG1 4.38Å; L52-I76 HydrophobicContact CD1-CD1 3.78Å
53A98.3Very high96.2Very high23 Ų2365.2 Ų65.219%0.1934%0.337CS..Hα-helixtrans-59.5-41.4178.600000111.6T49 R50 K57 V72 V74T49-A53 PolarHBondContact O-N 2.94Å; T49-A53 VanDerWaalsContact O-N 3.08Å; R50-A53 PolarHBondContact O-N 3.02Å; A53-K57 WeakPolarHBondContact O-CB 3.46Å; A53-K57 PolarHBondContact O-N 3.35Å; A53-V72 HydrophobicContact CB-CG1 4.33Å; A53-V74 HydrophobicContact CB-CB 4.39Å; A53-V74 HydrophobicContact CB-CG2 3.68Å
54E98.1Very high95.6Very high91 Ų9164.8 Ų64.843%0.42534%0.335SS..Hα-helixtrans-66.6-48.6175.5-72.6175.9175.900112.2R50 S51 L52 I56 K57 D58R50-E54 WeakPolarHBondContact O-CG 3.46Å; R50-E54 PolarHBondContact O-N 2.84Å; S51-E54 PolarHBondContact O-N 2.93Å; L52-E54 VanDerWaalsContact C-N 3.28Å; L52-E54 PolarHBondContact O-N 2.82Å; E54-I56 VanDerWaalsContact C-N 3.31Å; E54-I56 PolarHBondContact O-N 3.28Å; E54-K57 WeakPolarHBondContact O-CB 3.33Å; E54-K57 PolarHBondContact O-N 3.01Å; E54-D58 WeakPolarHBondContact O-CB 3.25Å; E54-D58 VanDerWaalsContact O-CG 3.28Å; E54-D58 PolarHBondContact O-N 2.81Å
55S98.1Very high95.3Very high36 Ų3663.4 Ų63.425%0.25232%0.324SS..Hα-helixtrans-57.9-43.9179.5-61.10000112S51 L52 K59S51-S55 WeakPolarHBondContact O-CB 3.42Å; S51-S55 PolarHBondContact O-N 3.19Å; S51-S55 PolarHBondContact O-OG 3.42Å; L52-S55 PolarHBondContact O-N 3.08Å; S55-K59 WeakPolarHBondContact O-CB 3.17Å; S55-K59 PolarHBondContact O-N 2.92Å
56I98.3Very high94.8Very high0 Ų066.1 Ų66.10%034%0.338CS..Hα-helixtrans-68.2-46.2178.6-66.5168.8000110.3I27 I30 V31 L52 E54 D58 K59 V60 V72 V113 V115I27-I56 HydrophobicContact CG1-CG2 3.99Å; I30-I56 HydrophobicContact CB-CG1 4.31Å; I30-I56 HydrophobicContact CD1-CG1 4Å; I30-I56 HydrophobicContact CG2-CG1 3.96Å; V31-I56 HydrophobicContact CG2-CD1 4.07Å; L52-I56 WeakPolarHBondContact O-CB 3.22Å; L52-I56 VanDerWaalsContact O-CG1 3.22Å; L52-I56 WeakPolarHBondContact O-CG1 3.38Å; L52-I56 PolarHBondContact O-N 3.44Å; E54-I56 VanDerWaalsContact C-N 3.31Å; E54-I56 PolarHBondContact O-N 3.28Å; I56-D58 VanDerWaalsContact C-N 3.31Å; I56-D58 PolarHBondContact O-N 3.16Å; I56-K59 PolarHBondContact O-N 3.36Å; I56-V60 HydrophobicContact CG2-CG2 4.35Å; I56-V60 WeakPolarHBondContact O-CB 3.25Å; I56-V60 WeakPolarHBondContact O-CG2 3.34Å; I56-V60 PolarHBondContact O-N 2.85Å; I56-V72 HydrophobicContact CB-CG1 4.24Å; I56-V72 HydrophobicContact CG2-CG1 4.01Å; I56-V72 HydrophobicContact CG2-CG2 4.34Å; I56-V113 HydrophobicContact CD1-CG1 3.85Å; I56-V113 HydrophobicContact CD1-CG2 4.08Å; I56-V115 HydrophobicContact CG2-CG2 3.73Å
57K97.6Very high94.6Very high64 Ų6466.5 Ų66.528%0.27833%0.325SS..Hα-helixtrans-56.6-46.4176.6178-170.270.4-166.40111.1A53 E54 V60 K61 V72A53-K57 WeakPolarHBondContact O-CB 3.46Å; A53-K57 PolarHBondContact O-N 3.35Å; E54-K57 WeakPolarHBondContact O-CB 3.33Å; E54-K57 PolarHBondContact O-N 3.01Å; K57-V60 PolarHBondContact O-N 3.13Å; K57-K61 WeakPolarHBondContact O-CG 3.44Å; K57-K61 PolarHBondContact O-N 2.84Å; K57-V72 HydrophobicContact CB-CG2 3.71Å; K57-V72 HydrophobicContact CG-CG2 4.42Å
58D97.1Very high94.4Very high84 Ų8460.8 Ų60.845%0.44930%0.297SS..Hα-helixtrans-70.5-38.9-177.3-67.6-15.7000111.3E54 I56 V60 K61 T62E54-D58 WeakPolarHBondContact O-CB 3.25Å; E54-D58 VanDerWaalsContact O-CG 3.28Å; E54-D58 PolarHBondContact O-N 2.81Å; I56-D58 VanDerWaalsContact C-N 3.31Å; I56-D58 PolarHBondContact O-N 3.16Å; D58-V60 PolarHBondContact O-N 3.16Å; D58-K61 PolarHBondContact O-N 2.8Å; D58-T62 WeakPolarHBondContact O-CG2 3.22Å; D58-T62 PolarHBondContact O-N 3.37Å
59K97.2Very high94.3Very high90 Ų9066.6 Ų66.639%0.39132%0.321SS..Hα-helixtrans-61.3-44171.4-174.364.7174.7-177.80112.1Y26 I30 S55 I56 K61 T62Y26-K59 HydrophobicContact CD1-CG 4.16Å; Y26-K59 HydrophobicContact CD2-CG 3.73Å; Y26-K59 HydrophobicContact CE2-CG 4.2Å; Y26-K59 HydrophobicContact CG-CG 3.7Å; I30-K59 HydrophobicContact CD1-CB 3.72Å; I30-K59 HydrophobicContact CD1-CG 3.96Å; S55-K59 WeakPolarHBondContact O-CB 3.17Å; S55-K59 PolarHBondContact O-N 2.92Å; I56-K59 PolarHBondContact O-N 3.36Å; K59-K61 VanDerWaalsContact C-N 3.29Å; K59-K61 PolarHBondContact O-N 3.3Å; K59-T62 WeakPolarHBondContact O-CB 3.45Å; K59-T62 PolarHBondContact O-N 2.87Å; K59-T62 PolarHBondContact O-OG1 3.35Å
60V96.2Very high94.3Very high0 Ų066.5 Ų66.50%032%0.32CS..Hα-helixtrans-63.8-36.7179.1170.70000111.3V23 Y26 I56 K57 D58 T62 A63 F65 I70 V115V23-V60 HydrophobicContact CG1-CG2 3.77Å; V23-V60 HydrophobicContact CG2-CG1 4.2Å; V23-V60 HydrophobicContact CG2-CG2 4.29Å; Y26-V60 HydrophobicContact CD2-CG2 4.35Å; I56-V60 HydrophobicContact CG2-CG2 4.35Å; I56-V60 WeakPolarHBondContact O-CB 3.25Å; I56-V60 WeakPolarHBondContact O-CG2 3.34Å; I56-V60 PolarHBondContact O-N 2.85Å; K57-V60 PolarHBondContact O-N 3.13Å; D58-V60 PolarHBondContact O-N 3.16Å; V60-T62 PolarHBondContact O-N 2.54Å; V60-A63 WeakPolarHBondContact O-CB 3.46Å; V60-A63 PolarHBondContact O-N 3.34Å; V60-F65 HydrophobicContact CG1-CD2 4.33Å; V60-F65 HydrophobicContact CG1-CE2 4.08Å; V60-I70 HydrophobicContact CB-CG2 4.42Å; V60-I70 HydrophobicContact CG1-CD1 4.05Å; V60-I70 HydrophobicContact CG1-CG1 4.15Å; V60-I70 HydrophobicContact CG1-CG2 3.88Å; V60-V115 HydrophobicContact CG1-CG1 4.49Å; V60-V115 HydrophobicContact CG2-CG1 4.44Å
61K93.3Very high94.2Very high132 Ų13261.7 Ų61.757%0.57431%0.309SS*.Hα-helixtrans-63.2-20.5174-74.1174.2176.1-179.50114K57 D58 K59 A63K57-K61 WeakPolarHBondContact O-CG 3.44Å; K57-K61 PolarHBondContact O-N 2.84Å; D58-K61 PolarHBondContact O-N 2.8Å; K59-K61 VanDerWaalsContact C-N 3.29Å; K59-K61 PolarHBondContact O-N 3.3Å; K61-A63 VanDerWaalsContact C-N 3.32Å
62T92.9Very high94.2Very high87 Ų8760.8 Ų60.853%0.53430%0.302SS..Hα-helixtrans-76.4-20.1173.872.80000113.1D58 K59 V60 E64D58-T62 WeakPolarHBondContact O-CG2 3.22Å; D58-T62 PolarHBondContact O-N 3.37Å; K59-T62 WeakPolarHBondContact O-CB 3.45Å; K59-T62 PolarHBondContact O-N 2.87Å; K59-T62 PolarHBondContact O-OG1 3.35Å; V60-T62 PolarHBondContact O-N 2.54Å; T62-E64 PolarHBondContact O-N 3.48Å
63A84.4Confident94.2Very high13 Ų1365.3 Ų65.311%0.10732%0.322CS..SBendtrans-74.7119.4166.400000106.8Y26 V60 K61 F65Y26-A63 HydrophobicContact CE2-CB 4.1Å; V60-A63 WeakPolarHBondContact O-CB 3.46Å; V60-A63 PolarHBondContact O-N 3.34Å; K61-A63 VanDerWaalsContact C-N 3.32Å; A63-F65 HydrophobicContact CB-CD1 4.35Å; A63-F65 HydrophobicContact CB-CD2 3.96Å; A63-F65 HydrophobicContact CB-CE1 3.91Å; A63-F65 HydrophobicContact CB-CE2 3.48Å; A63-F65 VanDerWaalsContact CB-CE2 3.48Å; A63-F65 HydrophobicContact CB-CG 4.38Å; A63-F65 HydrophobicContact CB-CZ 3.44Å; A63-F65 VanDerWaalsContact CB-CZ 3.44Å; A63-F65 PolarHBondContact O-N 3.39Å
64E84.2Confident94.2Very high166 Ų16665.1 Ų65.178%0.77632%0.319SS*.  trans-65.660.2-175.1-58176.9127.500112.4L16 T62L16-E64 WeakPolarHBondContact CD2-O 3.43Å; T62-E64 PolarHBondContact O-N 3.48Å
65F88.3Confident94.2Very high32 Ų3264 Ų6414%0.1432%0.316CS..  trans-84.1123.9172.2-53.9-41.9000108.2L16 K17 F18 K19 V23 V60 A63 Y68L16-F65 WeakPolarHBondContact O-CA 3.43Å; K17-F65 VanDerWaalsContact O-CD1 3.23Å; K17-F65 WeakPolarHBondContact O-CD1 3.27Å; K17-F65 WeakPolarHBondContact O-CE1 3.35Å; F18-F65 HydrophobicContact CD2-CD2 4.11Å; F18-F65 HydrophobicContact CD2-CE2 4.08Å; F18-F65 HydrophobicContact CE2-CE2 4.46Å; K19-F65 HydrophobicContact CB-CE1 4.12Å; K19-F65 HydrophobicContact CB-CZ 4.29Å; K19-F65 HydrophobicContact CD-CE1 4.47Å; K19-F65 HydrophobicContact CG-CE1 4.3Å; V23-F65 HydrophobicContact CG2-CE2 3.71Å; V23-F65 HydrophobicContact CG2-CZ 3.93Å; V60-F65 HydrophobicContact CG1-CD2 4.33Å; V60-F65 HydrophobicContact CG1-CE2 4.08Å; A63-F65 HydrophobicContact CB-CD1 4.35Å; A63-F65 HydrophobicContact CB-CD2 3.96Å; A63-F65 HydrophobicContact CB-CE1 3.91Å; A63-F65 HydrophobicContact CB-CE2 3.48Å; A63-F65 VanDerWaalsContact CB-CE2 3.48Å; A63-F65 HydrophobicContact CB-CG 4.38Å; A63-F65 HydrophobicContact CB-CZ 3.44Å; A63-F65 VanDerWaalsContact CB-CZ 3.44Å; A63-F65 PolarHBondContact O-N 3.39Å; F65-Y68 HydrophobicContact CB-CD2 3.78Å; F65-Y68 HydrophobicContact CB-CE2 4.47Å; F65-Y68 HydrophobicContact CB-CG 4.4Å
66D86.1Confident94.1Very high77 Ų7763.4 Ų63.441%0.41231%0.309SS..SBendtrans-92.8136.1-175.1-17128000111.4L16 Y68 Y119L16-D66 HydrophobicContact CB-CB 3.88Å; L16-D66 HydrophobicContact CD1-CB 3.86Å; L16-D66 HydrophobicContact CD2-CB 4.39Å; L16-D66 HydrophobicContact CG-CB 4.25Å; L16-D66 PolarHBondContact O-N 2.82Å; D66-Y68 VanDerWaalsContact C-N 3.28Å; D66-Y68 WeakPolarHBondContact O-CD2 3.39Å; D66-Y68 WeakPolarHBondContact O-CE2 3.34Å; D66-Y68 PolarHBondContact O-N 3.34Å; D66-Y119 WeakPolarHBondContact O-CE2 3.35Å
67R91.1Very high94Very high72 Ų7264 Ų6427%0.27232%0.316SS..SBendtrans55.132.1177.5-48.8-179.465.6-167.5-2.2115.6Y119 Y120 Y121R67-Y119 HydrophobicContact CB-CD2 4.28Å; R67-Y119 HydrophobicContact CB-CE2 3.7Å; R67-Y120 PolarHBondContact NE-O 2.73Å; R67-Y120 PolarHBondContact NH2-O 3.27Å; R67-Y120 VanDerWaalsContact NH2-O 3.08Å; R67-Y120 WeakPolarHBondContact O-CB 3.45Å; R67-Y120 PolarHBondContact O-N 2.95Å; R67-Y121 PolarHBondContact NH1-OXT 3.23Å; R67-Y121 PolarHBondContact NH2-O 2.94Å; R67-Y121 PolarHBondContact NH2-OXT 3.09Å
68Y94.3Very high93.9Very high30 Ų3063.9 Ų63.912%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-99.5130.8175-78.9-86.9000112.9P12 F18 F65 D66 T96 S118 Y119P12-Y68 HydrophobicContact CG-CE2 4.49Å; F18-Y68 HydrophobicContact CB-CD1 4.14Å; F18-Y68 HydrophobicContact CB-CE1 3.71Å; F18-Y68 HydrophobicContact CB-CE2 4.26Å; F18-Y68 PolarHBondContact N-OH 2.85Å; F65-Y68 HydrophobicContact CB-CD2 3.78Å; F65-Y68 HydrophobicContact CB-CE2 4.47Å; F65-Y68 HydrophobicContact CB-CG 4.4Å; D66-Y68 VanDerWaalsContact C-N 3.28Å; D66-Y68 WeakPolarHBondContact O-CD2 3.39Å; D66-Y68 WeakPolarHBondContact O-CE2 3.34Å; D66-Y68 PolarHBondContact O-N 3.34Å; Y68-T96 WeakPolarHBondContact CE1-O 3.32Å; Y68-T96 PolarHBondContact OH-O 2.72Å; Y68-S118 CarbonylContact C-O 3.56Å; Y68-S118 WeakPolarHBondContact CA-O 3.4Å; Y68-Y119 HydrophobicContact CD1-CD2 4.39Å; Y68-Y119 HydrophobicContact CD2-CD2 4.01Å; Y68-Y119 HydrophobicContact CE1-CD2 4.08Å; Y68-Y119 HydrophobicContact CE1-CG 4.42Å; Y68-Y119 AromaticContact CE2-CD2 3.66Å; Y68-Y119 HydrophobicContact CE2-CD2 3.66Å; Y68-Y119 HydrophobicContact CE2-CE2 4.27Å; Y68-Y119 HydrophobicContact CG-CD2 4.37Å; Y68-Y119 AromaticContact CZ-CD2 3.71Å
69K94.3Very high93.7Very high147 Ų14761.9 Ų61.964%0.63930%0.304SS*.EExtended strand (participates in β ladder)trans-80.1119.1160.1-176.4177.7179.2179.80108.8V71 S118K69-V71 HydrophobicContact CG-CG2 4.47Å; K69-S118 PolarHBondContact N-O 2.89Å; K69-S118 PolarHBondContact O-N 3.14Å
70I96.4Very high93.6Very high31 Ų3166 Ų6616%0.15932%0.317CS..EExtended strand (participates in β ladder)trans-98.8125.7178.1-52.7-57000109.9F18 V60 V72 V115 F116F18-I70 HydrophobicContact CD2-CD1 4.16Å; F18-I70 HydrophobicContact CE2-CD1 4.15Å; V60-I70 HydrophobicContact CB-CG2 4.42Å; V60-I70 HydrophobicContact CG1-CD1 4.05Å; V60-I70 HydrophobicContact CG1-CG1 4.15Å; V60-I70 HydrophobicContact CG1-CG2 3.88Å; I70-V72 HydrophobicContact CG2-CG2 4.18Å; I70-V115 HydrophobicContact CG2-CG1 3.91Å; I70-F116 WeakPolarHBondContact CA-O 3.47Å
71V96.8Very high93.2Very high71 Ų7169.4 Ų69.443%0.4335%0.352SS..EExtended strand (participates in β ladder)trans-120.1128.7173.7-178.80000108.5K69 V115 F116K69-V71 HydrophobicContact CG-CG2 4.47Å; V71-V115 CarbonylContact O-C 3.59Å; V71-V115 WeakPolarHBondContact O-CA 3.03Å; V71-F116 HydrophobicContact CB-CB 4.37Å; V71-F116 PolarHBondContact N-O 3.23Å; V71-F116 PolarHBondContact O-N 3.08Å
72V98.1Very high93Very high29 Ų2967.8 Ų67.818%0.17635%0.347CS..EExtended strand (participates in β ladder)trans-117.5125178.6-175.10000108.9A53 I56 K57 I70 V74 V113 V115A53-V72 HydrophobicContact CB-CG1 4.33Å; I56-V72 HydrophobicContact CB-CG1 4.24Å; I56-V72 HydrophobicContact CG2-CG1 4.01Å; I56-V72 HydrophobicContact CG2-CG2 4.34Å; K57-V72 HydrophobicContact CB-CG2 3.71Å; K57-V72 HydrophobicContact CG-CG2 4.42Å; I70-V72 HydrophobicContact CG2-CG2 4.18Å; V72-V74 HydrophobicContact CG1-CG2 4.01Å; V72-V113 HydrophobicContact CG1-CG1 4.29Å; V72-V115 HydrophobicContact CG1-CG2 4.11Å; V72-V115 HydrophobicContact CG2-CG1 4.29Å; V72-V115 HydrophobicContact CG2-CG2 4.03Å
73Q97.8Very high92.8Very high96 Ų9667.6 Ų67.645%0.44936%0.362SS..EExtended strand (participates in β ladder)trans-109.2127.7170.3-177.3175.64900108.4M86 V113 T114Q73-M86 VanDerWaalsContact OE1-CE 3.27Å; Q73-V113 CarbonylContact O-C 3.55Å; Q73-V113 WeakPolarHBondContact O-CA 3.32Å; Q73-T114 PolarHBondContact N-O 3.47Å; Q73-T114 PolarHBondContact O-N 2.66Å
74V97.9Very high93Very high19 Ų1971.2 Ų71.212%0.11538%0.383CS..EExtended strand (participates in β ladder)trans-123.9133.8173.8-177.90000107.8T49 L52 A53 V72 I76 V113T49-V74 HydrophobicContact CG2-CB 3.99Å; T49-V74 HydrophobicContact CG2-CG1 3.94Å; L52-V74 HydrophobicContact CB-CG1 4.38Å; A53-V74 HydrophobicContact CB-CB 4.39Å; A53-V74 HydrophobicContact CB-CG2 3.68Å; V72-V74 HydrophobicContact CG1-CG2 4.01Å; V74-I76 HydrophobicContact CG1-CG1 4.28Å; V74-V113 HydrophobicContact CG1-CG2 4.25Å; V74-V113 HydrophobicContact CG2-CG1 4.3Å; V74-V113 HydrophobicContact CG2-CG2 4.15Å
75L96.9Very high93.2Very high69 Ų6972.2 Ų72.236%0.36138%0.384SS..EExtended strand (participates in β ladder)trans-127.7119.9173.9-178.4155.3000107.9F110 C111 V112L75-F110 HydrophobicContact CD2-CD2 4.33Å; L75-F110 HydrophobicContact CD2-CE2 3.47Å; L75-F110 VanDerWaalsContact CD2-CE2 3.47Å; L75-F110 HydrophobicContact CD2-CZ 4.11Å; L75-C111 CarbonylContact O-C 3.58Å; L75-C111 VanDerWaalsContact O-CA 3.27Å; L75-C111 WeakPolarHBondContact O-CA 3.42Å; L75-V112 PolarHBondContact N-O 3.23Å; L75-V112 PolarHBondContact O-N 3.33Å
76I96.9Very high93.3Very high22 Ų2273.5 Ų73.511%0.11339%0.391CS..EExtended strand (participates in β ladder)trans-111.5135.1169.9-62.5178.2000108.2L35 Y40 V45 L48 L52 V74 L109 F110 C111L35-I76 HydrophobicContact CD1-CD1 4.38Å; Y40-I76 HydrophobicContact CD2-CG2 4.44Å; V45-I76 HydrophobicContact CG2-CB 3.79Å; V45-I76 HydrophobicContact CG2-CG2 3.51Å; L48-I76 HydrophobicContact CD2-CD1 3.89Å; L48-I76 HydrophobicContact CG-CD1 3.95Å; L52-I76 HydrophobicContact CD1-CD1 3.78Å; V74-I76 HydrophobicContact CG1-CG1 4.28Å; I76-L109 HydrophobicContact CG2-CB 4.37Å; I76-L109 HydrophobicContact CG2-CD1 4.5Å; I76-L109 HydrophobicContact CG2-CD2 4.38Å; I76-F110 WeakPolarHBondContact CA-O 3.38Å; I76-C111 HydrophobicContact CG1-CB 4.09Å
77G95.4Very high93.5Very high13 Ų1374.5 Ų74.513%0.13440%0.404CS..EExtended strand (participates in β ladder)trans-137.7156.4173.700000111.6L109 F110G77-L109 CarbonylContact O-C 3.47Å; G77-L109 VanDerWaalsContact O-CA 3.26Å; G77-L109 WeakPolarHBondContact O-CA 3.42Å; G77-L109 WeakPolarHBondContact O-CB 3.42Å; G77-F110 PolarHBondContact N-O 3.01Å; G77-F110 VanDerWaalsContact O-CD1 3.31Å; G77-F110 WeakPolarHBondContact O-CD1 3.39Å; G77-F110 PolarHBondContact O-N 3.31Å
78E96.2Very high93.4Very high61 Ų6173.9 Ų73.929%0.28541%0.414SS..EExtended strand (participates in β ladder)trans-71.7135.3175.7-166.5178.6-178.600110.8Y40 R80Y40-E78 HydrophobicContact CD1-CB 3.75Å; Y40-E78 HydrophobicContact CD1-CG 3.64Å; Y40-E78 HydrophobicContact CD2-CB 3.83Å; Y40-E78 HydrophobicContact CD2-CG 4.34Å; Y40-E78 HydrophobicContact CE1-CB 3.83Å; Y40-E78 HydrophobicContact CE1-CG 4.14Å; Y40-E78 HydrophobicContact CE2-CB 3.9Å; Y40-E78 HydrophobicContact CG-CB 3.74Å; Y40-E78 HydrophobicContact CG-CG 3.75Å; E78-R80 VanDerWaalsContact CD-CZ 3.43Å; E78-R80 HydrophobicContact CG-CG 3.98Å; E78-R80 IonicContact OE1-CZ 3.1Å; E78-R80 IonicContact OE1-NE 3.01Å; E78-R80 PolarHBondContact OE1-NE 3.09Å; E78-R80 IonicContact OE1-NH2 2.91Å; E78-R80 PolarHBondContact OE1-NH2 2.73Å; E78-R80 IonicContact OE2-CZ 2.73Å; E78-R80 IonicContact OE2-NE 3.48Å; E78-R80 PolarHBondContact OE2-NE 2.95Å; E78-R80 IonicContact OE2-NH2 2.85Å; E78-R80 PolarHBondContact OE2-NH2 2.8Å
79Q93.4Very high93.3Very high43 Ų4384.3 Ų84.320%0.20145%0.454CS..  trans-91.3107.5176.4178.756.6-84.400109.9M105 S108Q79-M105 PolarHBondContact NE2-SD 2.61Å; Q79-S108 PolarHBondContact N-O 3.39Å
80R93.6Very high93Very high176 Ų17680.2 Ų80.266%0.66444%0.443SS*.SBendtrans-131.127.9170.2-37.3178.4160.6172.94.1112.8E78 Q82E78-R80 VanDerWaalsContact CD-CZ 3.43Å; E78-R80 HydrophobicContact CG-CG 3.98Å; E78-R80 IonicContact OE1-CZ 3.1Å; E78-R80 IonicContact OE1-NE 3.01Å; E78-R80 PolarHBondContact OE1-NE 3.09Å; E78-R80 IonicContact OE1-NH2 2.91Å; E78-R80 PolarHBondContact OE1-NH2 2.73Å; E78-R80 IonicContact OE2-CZ 2.73Å; E78-R80 IonicContact OE2-NE 3.48Å; E78-R80 PolarHBondContact OE2-NE 2.95Å; E78-R80 IonicContact OE2-NH2 2.85Å; E78-R80 PolarHBondContact OE2-NH2 2.8Å; R80-Q82 VanDerWaalsContact CA-OE1 3.26Å; R80-Q82 VanDerWaalsContact CB-NE2 3.28Å
81G88.9Confident92.9Very high71 Ų7187.5 Ų87.573%0.73248%0.481SS*.SBendtrans87.517.4178.200000115
82Q89.7Confident92.7Very high99 Ų9988.5 Ų88.546%0.46348%0.477SS..  trans-80.2148.1177.2-52.885.2-15.300111.5R80R80-Q82 VanDerWaalsContact CA-OE1 3.26Å; R80-Q82 VanDerWaalsContact CB-NE2 3.28Å
83G87.8Confident92.5Very high83 Ų8389.1 Ų89.186%0.85648%0.48SS*.  trans-87.8124.416900000111.4
84V88.3Confident92.1Very high89 Ų8988.9 Ų88.954%0.53949%0.494SS..  trans-124134.7176.9-179.40000109.4F110V84-F110 HydrophobicContact CB-CE2 4.4Å; V84-F110 HydrophobicContact CB-CZ 4.34Å; V84-F110 HydrophobicContact CG1-CE2 4.2Å; V84-F110 HydrophobicContact CG1-CZ 4.36Å; V84-F110 HydrophobicContact CG2-CE1 4.25Å; V84-F110 HydrophobicContact CG2-CE2 4.29Å; V84-F110 HydrophobicContact CG2-CZ 3.75Å
85K89.9Confident91.7Very high187 Ų18792.1 Ų92.181%0.81351%0.511SS*.  trans-125.2122.3173.6-176.6174.6-178.7174.90109.7
86M89.2Confident91.4Very high59 Ų5989 Ų8929%0.29150%0.495SS..  trans-105.1143.3173.2-169.9163135.200110Q73 V112 T114Q73-M86 VanDerWaalsContact OE1-CE 3.27Å; M86-V112 HydrophobicContact CB-CG1 4.4Å; M86-V112 HydrophobicContact CE-CG1 3.86Å; M86-V112 HydrophobicContact CG-CG1 4.46Å; M86-V112 HydrophobicContact SD-CB 3.98Å; M86-V112 HydrophobicContact SD-CG1 3.46Å; M86-V112 WeakPolarHBondContact SD-CG1 3.43Å; M86-T114 WeakPolarHBondContact CE-OG1 3.12Å
87S90.3Very high91.3Very high97 Ų9788.5 Ų88.568%0.67849%0.492SS*.  trans-151.2138.6177-63.80000109.2
88A89.2Confident91.3Very high59 Ų5990.9 Ų90.949%0.48850%0.502SS..  trans-113.4143.3173.300000109.6F116A88-F116 HydrophobicContact CB-CE1 4.13Å; A88-F116 HydrophobicContact CB-CZ 3.89Å
89R91.9Very high91.3Very high249 Ų24993 Ų9394%0.9451%0.508SS*.  trans-122.4126169.8-67.4-174.6-178.9176.60.9107.8
90C89.2Confident91.5Very high61 Ų6191.1 Ų91.141%0.41250%0.5SS..  trans-124.8140-176-58.50000109.4W92C90-W92 HydrophobicContact CB-CD2 3.9Å; C90-W92 HydrophobicContact CB-CE3 4.1Å; C90-W92 HydrophobicContact CB-CG 4.07Å
91L92.7Very high91.7Very high185 Ų18585.6 Ų85.697%0.96948%0.483SS*.  trans-108.9110.5163.4-18066.4000106.2
92W93.9Very high92.1Very high91 Ų9183.4 Ų83.435%0.34546%0.455SS..  trans-155.1167.4-164.866.6-3.8000111.1C90 A94 D97 N98 Y99C90-W92 HydrophobicContact CB-CD2 3.9Å; C90-W92 HydrophobicContact CB-CE3 4.1Å; C90-W92 HydrophobicContact CB-CG 4.07Å; W92-A94 PolarHBondContact O-N 3.03Å; W92-D97 HydrophobicContact CB-CB 3.78Å; W92-D97 WeakPolarHBondContact CB-OD2 3.21Å; W92-D97 HydrophobicContact CD2-CB 3.83Å; W92-D97 HydrophobicContact CE3-CB 3.61Å; W92-D97 HydrophobicContact CG-CB 3.96Å; W92-D97 HydrophobicContact CZ3-CB 4.35Å; W92-N98 WeakPolarHBondContact CZ3-O 3.45Å; W92-Y99 AromaticContact CH2-CD1 3.24Å; W92-Y99 HydrophobicContact CH2-CD1 3.24Å; W92-Y99 HydrophobicContact CH2-CE1 4.02Å; W92-Y99 HydrophobicContact CH2-CG 4.09Å; W92-Y99 AromaticContact CZ2-CD1 3.95Å; W92-Y99 HydrophobicContact CZ2-CD1 3.95Å; W92-Y99 HydrophobicContact CZ2-CE1 4.31Å; W92-Y99 AromaticContact CZ3-CD1 3.95Å; W92-Y99 HydrophobicContact CZ3-CD1 3.95Å
93D92.8Very high92.4Very high43 Ų4382.7 Ų82.723%0.2346%0.457CS..  trans-78117.6176.7-171.4-48.5000110.6D95 T96 D97 Y121D93-D95 PolarHBondContact O-N 3.3Å; D93-D95 VanDerWaalsContact O-N 3.16Å; D93-D95 WeakPolarHBondContact OD1-CB 3.4Å; D93-D95 PolarHBondContact OD1-N 2.9Å; D93-T96 WeakPolarHBondContact CB-OG1 3.45Å; D93-T96 PolarHBondContact O-N 3.47Å; D93-T96 PolarHBondContact OD1-N 2.98Å; D93-D97 PolarHBondContact N-OD2 2.9Å; D93-D97 WeakPolarHBondContact O-CB 3.35Å; D93-D97 PolarHBondContact O-N 2.77Å; D93-Y121 PolarHBondContact OD2-OH 3.21Å
94A90.6Very high92.8Very high90 Ų9080.2 Ų80.274%0.74442%0.423SS*.THydrogen-bonded Turntrans-65.1-18.2-175.500000114.3W92W92-A94 PolarHBondContact O-N 3.03Å
95D87.9Confident93.1Very high87 Ų8781.4 Ų81.447%0.46542%0.424SS..THydrogen-bonded Turntrans-93.8-26.1-176.7-66.2-41.1000113.2R11 K17 D93R11-D95 IonicContact CZ-OD2 3.5Å; R11-D95 VanDerWaalsContact NH1-CG 3.28Å; R11-D95 IonicContact NH1-OD2 2.68Å; R11-D95 PolarHBondContact NH1-OD2 2.85Å; R11-D95 IonicContact NH2-OD2 3.37Å; R11-D95 PolarHBondContact NH2-OD2 3.37Å; K17-D95 PolarHBondContact NZ-O 2.87Å; D93-D95 PolarHBondContact O-N 3.3Å; D93-D95 VanDerWaalsContact O-N 3.16Å; D93-D95 WeakPolarHBondContact OD1-CB 3.4Å; D93-D95 PolarHBondContact OD1-N 2.9Å
96T91.6Very high93.4Very high4 Ų473.9 Ų73.93%0.02539%0.393CS..THydrogen-bonded Turntrans-120.3-40.1-170.757.90000112.9P12 Y68 D93 Y119 Y121P12-T96 HydrophobicContact CG-CG2 4.15Å; Y68-T96 WeakPolarHBondContact CE1-O 3.32Å; Y68-T96 PolarHBondContact OH-O 2.72Å; D93-T96 WeakPolarHBondContact CB-OG1 3.45Å; D93-T96 PolarHBondContact O-N 3.47Å; D93-T96 PolarHBondContact OD1-N 2.98Å; T96-Y119 HydrophobicContact CG2-CD1 4.41Å; T96-Y119 HydrophobicContact CG2-CG 4.48Å; T96-Y121 PolarHBondContact OG1-OH 3.44Å; T96-Y121 VanDerWaalsContact OG1-OH 3.09Å
97D94.6Very high93.6Very high12 Ų1279 Ų796%0.06442%0.422CS..  trans-81.6142-178.1-59.4-30.2000111.1W92 D93 G117 S118 Y119W92-D97 HydrophobicContact CB-CB 3.78Å; W92-D97 WeakPolarHBondContact CB-OD2 3.21Å; W92-D97 HydrophobicContact CD2-CB 3.83Å; W92-D97 HydrophobicContact CE3-CB 3.61Å; W92-D97 HydrophobicContact CG-CB 3.96Å; W92-D97 HydrophobicContact CZ3-CB 4.35Å; D93-D97 PolarHBondContact N-OD2 2.9Å; D93-D97 WeakPolarHBondContact O-CB 3.35Å; D93-D97 PolarHBondContact O-N 2.77Å; D97-G117 WeakPolarHBondContact CA-O 3.23Å; D97-S118 WeakPolarHBondContact OD1-CA 3.38Å; D97-S118 PolarHBondContact OD1-OG 2.99Å; D97-Y119 PolarHBondContact OD1-N 3.2Å
98N95.7Very high93.9Very high62 Ų6275.8 Ų75.833%0.33240%0.399SS..EExtended strand (participates in β ladder)trans-155.2168.3175.9-141.7-42.9000112.6F18 P20 W92 G117F18-N98 HydrophobicContact CD1-CB 3.69Å; F18-N98 HydrophobicContact CE1-CB 4.16Å; P20-N98 HydrophobicContact CG-CB 3.94Å; P20-N98 WeakPolarHBondContact CG-ND2 3.42Å; P20-N98 WeakPolarHBondContact CG-OD1 3.36Å; W92-N98 WeakPolarHBondContact CZ3-O 3.45Å; N98-G117 PolarHBondContact N-O 3.49Å; N98-G117 PolarHBondContact O-N 2.79Å
99Y96.9Very high94.3Very high105 Ų10573 Ų7341%0.41238%0.376SS..EExtended strand (participates in β ladder)trans-133.4161.7175.375.5-101.1000111.3P20 W92 D101 T114 V115 F116P20-Y99 WeakPolarHBondContact CB-O 3.4Å; W92-Y99 AromaticContact CH2-CD1 3.24Å; W92-Y99 HydrophobicContact CH2-CD1 3.24Å; W92-Y99 HydrophobicContact CH2-CE1 4.02Å; W92-Y99 HydrophobicContact CH2-CG 4.09Å; W92-Y99 AromaticContact CZ2-CD1 3.95Å; W92-Y99 HydrophobicContact CZ2-CD1 3.95Å; W92-Y99 HydrophobicContact CZ2-CE1 4.31Å; W92-Y99 AromaticContact CZ3-CD1 3.95Å; W92-Y99 HydrophobicContact CZ3-CD1 3.95Å; Y99-D101 WeakPolarHBondContact CE2-OD1 3.48Å; Y99-T114 HydrophobicContact CD2-CG2 4.36Å; Y99-V115 CarbonylContact C-O 3.57Å; Y99-V115 WeakPolarHBondContact CA-O 3.41Å; Y99-V115 WeakPolarHBondContact CB-O 3.35Å; Y99-F116 HydrophobicContact CG-CE1 4.43Å
100A97.4Very high94.5Very high5 Ų562.2 Ų62.24%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-139.2136.9167.400000109.2P20 V23 K24 I27 V115P20-A100 HydrophobicContact CB-CB 4.29Å; P20-A100 WeakPolarHBondContact O-CB 3.36Å; V23-A100 HydrophobicContact CB-CB 3.96Å; V23-A100 HydrophobicContact CG1-CB 3.83Å; K24-A100 HydrophobicContact CB-CB 4.26Å; I27-A100 HydrophobicContact CD1-CB 4.28Å; A100-V115 PolarHBondContact N-O 3.01Å; A100-V115 PolarHBondContact O-N 3.46Å
101D96.9Very high94.8Very high59 Ų5959.4 Ų59.432%0.31632%0.317SS..EExtended strand (participates in β ladder)trans-127.8153.4176.668.6-71.7000111.5K24 Y99 V113 T114K24-D101 WeakPolarHBondContact CD-O 3.23Å; K24-D101 WeakPolarHBondContact CE-O 3.39Å; K24-D101 PolarHBondContact NZ-O 3.34Å; K24-D101 VanDerWaalsContact NZ-O 3.08Å; Y99-D101 WeakPolarHBondContact CE2-OD1 3.48Å; D101-V113 WeakPolarHBondContact CA-O 3.19Å; D101-V113 WeakPolarHBondContact CB-O 3.48Å; D101-T114 HydrophobicContact CB-CG2 4.31Å
102D97.3Very high95.1Very high26 Ų2651.3 Ų51.314%0.13928%0.275CS..EExtended strand (participates in β ladder)trans-145.1154.4167.6-154.623000111.2I27 H28 V113I27-D102 HydrophobicContact CB-CB 4.27Å; I27-D102 HydrophobicContact CG2-CB 3.56Å; H28-D102 WeakPolarHBondContact CA-OD2 3.19Å; H28-D102 WeakPolarHBondContact CB-OD2 3.5Å; H28-D102 IonicContact CG-OD2 2.72Å; H28-D102 IonicContact ND1-OD2 3.13Å; H28-D102 PolarHBondContact ND1-OD2 3.3Å; D102-V113 PolarHBondContact N-O 2.77Å; D102-V113 VanDerWaalsContact N-O 3.1Å; D102-V113 PolarHBondContact O-N 3.34Å
103V96.1Very high95.3Very high84 Ų8447 Ų4751%0.50926%0.259SS..EExtended strand (participates in β ladder)trans-123.8128.7178.9-178.50000108.9C111 V112V103-C111 WeakPolarHBondContact CA-O 3.47Å; V103-V112 HydrophobicContact CG1-CG2 4.41Å; V103-V112 HydrophobicContact CG2-CG1 4.24Å; V103-V112 HydrophobicContact CG2-CG2 4.3Å
104F96.7Very high95.5Very high30 Ų3045.4 Ų45.413%0.13225%0.251CS..EExtended strand (participates in β ladder)trans-117.2146.6173173.6-89.9000110V31 L35 N106 L109 F110 C111V31-F104 HydrophobicContact CG1-CB 3.34Å; V31-F104 HydrophobicContact CG1-CD1 4.23Å; V31-F104 HydrophobicContact CG1-CD2 4.33Å; V31-F104 HydrophobicContact CG1-CG 3.72Å; L35-F104 HydrophobicContact CB-CD1 3.76Å; L35-F104 HydrophobicContact CB-CE1 3.41Å; L35-F104 VanDerWaalsContact CB-CE1 3.41Å; L35-F104 HydrophobicContact CB-CZ 3.97Å; L35-F104 HydrophobicContact CD1-CD1 4Å; L35-F104 HydrophobicContact CD1-CE1 4.44Å; F104-N106 HydrophobicContact CE1-CB 3.95Å; F104-N106 HydrophobicContact CZ-CB 3.97Å; F104-L109 HydrophobicContact CD1-CD1 4.26Å; F104-L109 HydrophobicContact CE1-CD1 4.17Å; F104-F110 CarbonylContact O-C 3.52Å; F104-F110 WeakPolarHBondContact O-CA 3.18Å; F104-C111 HydrophobicContact CB-CB 4.33Å; F104-C111 HydrophobicContact CD1-CB 4.49Å; F104-C111 PolarHBondContact N-O 3.41Å; F104-C111 PolarHBondContact O-N 3.37Å
105M95.2Very high95.9Very high114 Ų11441.1 Ų41.156%0.56222%0.215SC*.EExtended strand (participates in β ladder)trans-148.2136.7176.6-171.2178.6-6500109.3Q79 F110Q79-M105 PolarHBondContact NE2-SD 2.61Å; M105-F110 HydrophobicContact CE-CB 4.22Å; M105-F110 HydrophobicContact CG-CB 4.3Å
106N95Very high96.3Very high30 Ų3038.7 Ų38.716%0.1620%0.201CC..  trans-126.4-168.516672.516.9000109.2L35 M38 F104 S108 L109L35-N106 PolarHBondContact O-ND2 2.86Å; M38-N106 PolarHBondContact O-ND2 2.66Å; F104-N106 HydrophobicContact CE1-CB 3.95Å; F104-N106 HydrophobicContact CZ-CB 3.97Å; N106-S108 PolarHBondContact O-N 3.27Å; N106-S108 PolarHBondContact OD1-N 3.06Å; N106-L109 PolarHBondContact N-O 3.21Å; N106-L109 PolarHBondContact OD1-N 3.05Å; N106-L109 PolarHBondContact OD1-O 3.22Å
107D94.4Very high96.5Very high167 Ų16738.6 Ų38.689%0.89320%0.2SC*.SBendtrans-67.9-20.5-175.9-63-24.8000114
108S96.2Very high96.6Very high29 Ų2940.7 Ų40.720%0.20322%0.215CC..SBendtrans-116.5-27.4-171.3-1780000114Y40 Q79 N106Y40-S108 WeakPolarHBondContact CB-OG 3.47Å; Y40-S108 PolarHBondContact N-OG 3.42Å; Q79-S108 PolarHBondContact N-O 3.39Å; N106-S108 PolarHBondContact O-N 3.27Å; N106-S108 PolarHBondContact OD1-N 3.06Å
109L96.5Very high96.5Very high1 Ų138.3 Ų38.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-143.7162.8-178.263.382000113L35 Y40 I76 G77 F104 N106L35-L109 HydrophobicContact CB-CD1 4.45Å; L35-L109 HydrophobicContact CD1-CD1 4.04Å; Y40-L109 HydrophobicContact CD2-CB 4.19Å; I76-L109 HydrophobicContact CG2-CB 4.37Å; I76-L109 HydrophobicContact CG2-CD1 4.5Å; I76-L109 HydrophobicContact CG2-CD2 4.38Å; G77-L109 CarbonylContact O-C 3.47Å; G77-L109 VanDerWaalsContact O-CA 3.26Å; G77-L109 WeakPolarHBondContact O-CA 3.42Å; G77-L109 WeakPolarHBondContact O-CB 3.42Å; F104-L109 HydrophobicContact CD1-CD1 4.26Å; F104-L109 HydrophobicContact CE1-CD1 4.17Å; N106-L109 PolarHBondContact N-O 3.21Å; N106-L109 PolarHBondContact OD1-N 3.05Å; N106-L109 PolarHBondContact OD1-O 3.22Å
110F96.2Very high96Very high22 Ų2241.3 Ų41.310%0.09621%0.214CC..EExtended strand (participates in β ladder)trans-122.9151.2163.968.2-86.4000109.9L75 I76 G77 V84 F104 M105 V112L75-F110 HydrophobicContact CD2-CD2 4.33Å; L75-F110 HydrophobicContact CD2-CE2 3.47Å; L75-F110 VanDerWaalsContact CD2-CE2 3.47Å; L75-F110 HydrophobicContact CD2-CZ 4.11Å; I76-F110 WeakPolarHBondContact CA-O 3.38Å; G77-F110 PolarHBondContact N-O 3.01Å; G77-F110 VanDerWaalsContact O-CD1 3.31Å; G77-F110 WeakPolarHBondContact O-CD1 3.39Å; G77-F110 PolarHBondContact O-N 3.31Å; V84-F110 HydrophobicContact CB-CE2 4.4Å; V84-F110 HydrophobicContact CB-CZ 4.34Å; V84-F110 HydrophobicContact CG1-CE2 4.2Å; V84-F110 HydrophobicContact CG1-CZ 4.36Å; V84-F110 HydrophobicContact CG2-CE1 4.25Å; V84-F110 HydrophobicContact CG2-CE2 4.29Å; V84-F110 HydrophobicContact CG2-CZ 3.75Å; F104-F110 CarbonylContact O-C 3.52Å; F104-F110 WeakPolarHBondContact O-CA 3.18Å; M105-F110 HydrophobicContact CE-CB 4.22Å; M105-F110 HydrophobicContact CG-CB 4.3Å; F110-V112 HydrophobicContact CD2-CG2 4.23Å
111C97.2Very high95.4Very high1 Ų145.6 Ų45.61%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-132.3129177.1-178.10000109.5V31 L35 L75 I76 V103 F104V31-C111 HydrophobicContact CG1-CB 4.3Å; L35-C111 HydrophobicContact CD1-CB 3.44Å; L35-C111 VanDerWaalsContact CD1-CB 3.44Å; L75-C111 CarbonylContact O-C 3.58Å; L75-C111 VanDerWaalsContact O-CA 3.27Å; L75-C111 WeakPolarHBondContact O-CA 3.42Å; I76-C111 HydrophobicContact CG1-CB 4.09Å; V103-C111 WeakPolarHBondContact CA-O 3.47Å; F104-C111 HydrophobicContact CB-CB 4.33Å; F104-C111 HydrophobicContact CD1-CB 4.49Å; F104-C111 PolarHBondContact N-O 3.41Å; F104-C111 PolarHBondContact O-N 3.37Å
112V97.2Very high95.3Very high16 Ų1645 Ų4510%0.09723%0.225CC..EExtended strand (participates in β ladder)trans-116.8125.3172.7-173.60000108.1L75 M86 V103 F110L75-V112 PolarHBondContact N-O 3.23Å; L75-V112 PolarHBondContact O-N 3.33Å; M86-V112 HydrophobicContact CB-CG1 4.4Å; M86-V112 HydrophobicContact CE-CG1 3.86Å; M86-V112 HydrophobicContact CG-CG1 4.46Å; M86-V112 HydrophobicContact SD-CB 3.98Å; M86-V112 HydrophobicContact SD-CG1 3.46Å; M86-V112 WeakPolarHBondContact SD-CG1 3.43Å; V103-V112 HydrophobicContact CG1-CG2 4.41Å; V103-V112 HydrophobicContact CG2-CG1 4.24Å; V103-V112 HydrophobicContact CG2-CG2 4.3Å; F110-V112 HydrophobicContact CD2-CG2 4.23Å
113V98.1Very high95.2Very high1 Ų145.9 Ų45.91%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-118138.7176.9-1790000109.5I27 V31 I56 V72 Q73 V74 D101 D102 V115I27-V113 HydrophobicContact CD1-CG1 4.16Å; I27-V113 HydrophobicContact CG1-CG1 4.15Å; I27-V113 HydrophobicContact CG2-CB 3.61Å; I27-V113 HydrophobicContact CG2-CG1 3.76Å; I27-V113 HydrophobicContact CG2-CG2 4.05Å; V31-V113 HydrophobicContact CG2-CG2 3.8Å; I56-V113 HydrophobicContact CD1-CG1 3.85Å; I56-V113 HydrophobicContact CD1-CG2 4.08Å; V72-V113 HydrophobicContact CG1-CG1 4.29Å; Q73-V113 CarbonylContact O-C 3.55Å; Q73-V113 WeakPolarHBondContact O-CA 3.32Å; V74-V113 HydrophobicContact CG1-CG2 4.25Å; V74-V113 HydrophobicContact CG2-CG1 4.3Å; V74-V113 HydrophobicContact CG2-CG2 4.15Å; D101-V113 WeakPolarHBondContact CA-O 3.19Å; D101-V113 WeakPolarHBondContact CB-O 3.48Å; D102-V113 PolarHBondContact N-O 2.77Å; D102-V113 VanDerWaalsContact N-O 3.1Å; D102-V113 PolarHBondContact O-N 3.34Å; V113-V115 HydrophobicContact CG1-CG2 4.32Å
114T98.1Very high95.1Very high9 Ų943.8 Ų43.86%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-135.6128.2168.8-52.40000110.2Q73 M86 Y99 D101 F116Q73-T114 PolarHBondContact N-O 3.47Å; Q73-T114 PolarHBondContact O-N 2.66Å; M86-T114 WeakPolarHBondContact CE-OG1 3.12Å; Y99-T114 HydrophobicContact CD2-CG2 4.36Å; D101-T114 HydrophobicContact CB-CG2 4.31Å; T114-F116 HydrophobicContact CG2-CD2 4.24Å; T114-F116 HydrophobicContact CG2-CE1 3.87Å; T114-F116 HydrophobicContact CG2-CE2 3.56Å; T114-F116 HydrophobicContact CG2-CZ 3.35Å
115V98.1Very high95Very high0 Ų044.6 Ų44.60%022%0.219CC..EExtended strand (participates in β ladder)trans-112.5125.3176.4-179.50000108.6F18 V23 I27 I56 V60 I70 V71 V72 Y99 A100 V113F18-V115 HydrophobicContact CE2-CG1 4.29Å; F18-V115 HydrophobicContact CZ-CG1 4.25Å; V23-V115 HydrophobicContact CG1-CB 3.81Å; V23-V115 HydrophobicContact CG1-CG1 3.85Å; V23-V115 HydrophobicContact CG1-CG2 4.06Å; I27-V115 HydrophobicContact CD1-CB 4.26Å; I27-V115 HydrophobicContact CD1-CG2 3.6Å; I27-V115 HydrophobicContact CG1-CG2 3.95Å; I56-V115 HydrophobicContact CG2-CG2 3.73Å; V60-V115 HydrophobicContact CG1-CG1 4.49Å; V60-V115 HydrophobicContact CG2-CG1 4.44Å; I70-V115 HydrophobicContact CG2-CG1 3.91Å; V71-V115 CarbonylContact O-C 3.59Å; V71-V115 WeakPolarHBondContact O-CA 3.03Å; V72-V115 HydrophobicContact CG1-CG2 4.11Å; V72-V115 HydrophobicContact CG2-CG1 4.29Å; V72-V115 HydrophobicContact CG2-CG2 4.03Å; Y99-V115 CarbonylContact C-O 3.57Å; Y99-V115 WeakPolarHBondContact CA-O 3.41Å; Y99-V115 WeakPolarHBondContact CB-O 3.35Å; A100-V115 PolarHBondContact N-O 3.01Å; A100-V115 PolarHBondContact O-N 3.46Å; V113-V115 HydrophobicContact CG1-CG2 4.32Å
116F97.3Very high95Very high36 Ų3640.3 Ų40.316%0.15820%0.198CC..EExtended strand (participates in β ladder)trans-107.1129.9174.1-55.1-88.1000109.4I70 V71 A88 Y99 T114I70-F116 WeakPolarHBondContact CA-O 3.47Å; V71-F116 HydrophobicContact CB-CB 4.37Å; V71-F116 PolarHBondContact N-O 3.23Å; V71-F116 PolarHBondContact O-N 3.08Å; A88-F116 HydrophobicContact CB-CE1 4.13Å; A88-F116 HydrophobicContact CB-CZ 3.89Å; Y99-F116 HydrophobicContact CG-CE1 4.43Å; T114-F116 HydrophobicContact CG2-CD2 4.24Å; T114-F116 HydrophobicContact CG2-CE1 3.87Å; T114-F116 HydrophobicContact CG2-CE2 3.56Å; T114-F116 HydrophobicContact CG2-CZ 3.35Å
117G96.4Very high95Very high1 Ų141 Ų411%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-108.1111.8167.100000109.3D97 N98D97-G117 WeakPolarHBondContact CA-O 3.23Å; N98-G117 PolarHBondContact N-O 3.49Å; N98-G117 PolarHBondContact O-N 2.79Å
118S95.1Very high95.1Very high56 Ų5632 Ų3239%0.39215%0.151SC..EExtended strand (participates in β ladder)trans-110.7127.7174.1179.90000110.5Y68 K69 D97Y68-S118 CarbonylContact C-O 3.56Å; Y68-S118 WeakPolarHBondContact CA-O 3.4Å; K69-S118 PolarHBondContact N-O 2.89Å; K69-S118 PolarHBondContact O-N 3.14Å; D97-S118 WeakPolarHBondContact OD1-CA 3.38Å; D97-S118 PolarHBondContact OD1-OG 2.99Å
119Y94.3Very high95Very high12 Ų1232.2 Ų32.25%0.04715%0.147CC..EExtended strand (participates in β ladder)trans-78.9137.3-175.4-170.5-102.7000111.5I10 P12 D66 R67 Y68 T96 D97 Y121I10-Y119 VanDerWaalsContact O-CE1 3.31Å; I10-Y119 WeakPolarHBondContact O-CE1 3.31Å; P12-Y119 HydrophobicContact CB-CD2 4.32Å; P12-Y119 HydrophobicContact CB-CE2 3.64Å; P12-Y119 VanDerWaalsContact CD-CZ 3.48Å; P12-Y119 HydrophobicContact CG-CD2 3.89Å; P12-Y119 HydrophobicContact CG-CE2 3.62Å; P12-Y119 HydrophobicContact CG-CG 4.49Å; D66-Y119 WeakPolarHBondContact O-CE2 3.35Å; R67-Y119 HydrophobicContact CB-CD2 4.28Å; R67-Y119 HydrophobicContact CB-CE2 3.7Å; Y68-Y119 HydrophobicContact CD1-CD2 4.39Å; Y68-Y119 HydrophobicContact CD2-CD2 4.01Å; Y68-Y119 HydrophobicContact CE1-CD2 4.08Å; Y68-Y119 HydrophobicContact CE1-CG 4.42Å; Y68-Y119 AromaticContact CE2-CD2 3.66Å; Y68-Y119 HydrophobicContact CE2-CD2 3.66Å; Y68-Y119 HydrophobicContact CE2-CE2 4.27Å; Y68-Y119 HydrophobicContact CG-CD2 4.37Å; Y68-Y119 AromaticContact CZ-CD2 3.71Å; T96-Y119 HydrophobicContact CG2-CD1 4.41Å; T96-Y119 HydrophobicContact CG2-CG 4.48Å; D97-Y119 PolarHBondContact OD1-N 3.2Å; Y119-Y121 HydrophobicContact CD1-CD1 4.15Å; Y119-Y121 AromaticContact CD1-CE1 3.97Å; Y119-Y121 HydrophobicContact CD1-CE1 3.97Å; Y119-Y121 HydrophobicContact CD1-CE2 4.36Å; Y119-Y121 HydrophobicContact CD1-CG 4.41Å; Y119-Y121 HydrophobicContact CE1-CD1 4.15Å; Y119-Y121 HydrophobicContact CE1-CE1 4.17Å
120Y87.3Confident94.8Very high169 Ų16934.8 Ų34.866%0.66316%0.159SC*.  trans-96.7112.6176.9-177.9-109000110.1R67R67-Y120 PolarHBondContact NE-O 2.73Å; R67-Y120 PolarHBondContact NH2-O 3.27Å; R67-Y120 VanDerWaalsContact NH2-O 3.08Å; R67-Y120 WeakPolarHBondContact O-CB 3.45Å; R67-Y120 PolarHBondContact O-N 2.95Å
121Y82.9Confident94.7Very high95 Ų9536 Ų3637%0.37316%0.164SC..  trans-72.10177.2-74-73.1000113.4Y8 I10 R67 D93 T96 Y119Y8-Y121 PolarHBondContact OH-OXT 2.92Å; I10-Y121 HydrophobicContact CG2-CD1 3.81Å; I10-Y121 HydrophobicContact CG2-CE1 4.03Å; I10-Y121 WeakPolarHBondContact O-CD1 3.31Å; I10-Y121 WeakPolarHBondContact O-CE1 3.35Å; R67-Y121 PolarHBondContact NH1-OXT 3.23Å; R67-Y121 PolarHBondContact NH2-O 2.94Å; R67-Y121 PolarHBondContact NH2-OXT 3.09Å; D93-Y121 PolarHBondContact OD2-OH 3.21Å; T96-Y121 PolarHBondContact OG1-OH 3.44Å; T96-Y121 VanDerWaalsContact OG1-OH 3.09Å; Y119-Y121 HydrophobicContact CD1-CD1 4.15Å; Y119-Y121 AromaticContact CD1-CE1 3.97Å; Y119-Y121 HydrophobicContact CD1-CE1 3.97Å; Y119-Y121 HydrophobicContact CD1-CE2 4.36Å; Y119-Y121 HydrophobicContact CD1-CG 4.41Å; Y119-Y121 HydrophobicContact CE1-CD1 4.15Å; Y119-Y121 HydrophobicContact CE1-CE1 4.17Å

Retrieved 121 of 121 residues in 125.5 ms (Link to these results)

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