A0A5K4EZN8_SCHMA Loading...

Jumonji domain-containing protein 4

AlphaFold DB , UniProt , Accession A0A5K4EZN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.8Very low86.1Confident237 Ų237106.6 Ų106.6100%1.16753%0.528SS*.  0141.80-75.3179.2-97.400108.5
2K68.6Low87Confident179 Ų17999 Ų9978%0.77849%0.49SS*.  trans-75.3134.7171.1-72.1-178.6178.4178.40108Q4K2-Q4 HydrophobicContact CB-CG 4.36Å; K2-Q4 PolarHBondContact O-N 2.7Å
3N75Confident87.7Confident148 Ų14891.6 Ų91.679%0.79145%0.454SS*.  trans-67.3104.5171.9-74.1-7000108.9
4Q85.5Confident88.2Confident158 Ų15895.2 Ų95.274%0.73847%0.466SS*.  trans-111.7156.1178-69.5-179.8-19.200109.4K2K2-Q4 HydrophobicContact CB-CG 4.36Å; K2-Q4 PolarHBondContact O-N 2.7Å
5L91Very high88.6Confident26 Ų2698.3 Ų98.314%0.13649%0.485CS..  trans-61.6139.8169.3-72173.6000109.8I7 I160 Y193 I195 W209L5-I7 PolarHBondContact O-N 3.31Å; L5-I160 HydrophobicContact CD1-CB 4.31Å; L5-I160 HydrophobicContact CD1-CD1 3.88Å; L5-I160 HydrophobicContact CD1-CG1 4.38Å; L5-I160 HydrophobicContact CD2-CB 4.3Å; L5-I160 HydrophobicContact CD2-CD1 4.14Å; L5-I160 HydrophobicContact CD2-CG2 4.07Å; L5-Y193 HydrophobicContact CD1-CD1 4.4Å; L5-Y193 HydrophobicContact CD1-CD2 4.36Å; L5-Y193 HydrophobicContact CD1-CG 3.82Å; L5-Y193 HydrophobicContact CD2-CD2 4.47Å; L5-Y193 HydrophobicContact CG-CD1 4.41Å; L5-Y193 HydrophobicContact CG-CD2 4.26Å; L5-Y193 HydrophobicContact CG-CG 4.02Å; L5-I195 HydrophobicContact CD1-CD1 4.22Å; L5-I195 HydrophobicContact CD1-CG1 4.42Å; L5-I195 HydrophobicContact CD1-CG2 3.67Å; L5-W209 HydrophobicContact CD2-CE3 4.35Å; L5-W209 HydrophobicContact CD2-CZ3 4Å
6C94.8Very high89.1Confident53 Ų5392.4 Ų92.436%0.35846%0.456SS..EExtended strand (participates in β ladder)trans-87.8108.7179.4-174.80000109.3F8 F204C6-F8 WeakPolarHBondContact SG-CE2 3.18Å; C6-F8 VanDerWaalsContact SG-CZ 3.56Å; C6-F204 HydrophobicContact CB-CB 4.08Å; C6-F204 HydrophobicContact CB-CD1 4.03Å; C6-F204 PolarHBondContact O-N 2.9Å
7I96.6Very high89.4Confident68 Ų6889.8 Ų89.835%0.34945%0.448SS..EExtended strand (participates in β ladder)trans-121.6119.3176.2-50.7171.6000107.1L5 I195 A202 V203L5-I7 PolarHBondContact O-N 3.31Å; I7-I195 HydrophobicContact CD1-CB 4.09Å; I7-I195 HydrophobicContact CD1-CD1 3.5Å; I7-I195 VanDerWaalsContact CD1-CD1 3.5Å; I7-I195 HydrophobicContact CD1-CG1 4.37Å; I7-I195 HydrophobicContact CD1-CG2 4.06Å; I7-I195 HydrophobicContact CG1-CD1 3.87Å; I7-A202 WeakPolarHBondContact CA-O 3.46Å; I7-V203 HydrophobicContact CG1-CG2 4.48Å; I7-V203 HydrophobicContact CG2-CG2 4.41Å
8F97.4Very high89.6Confident26 Ų2684.8 Ų84.811%0.11442%0.423CS..EExtended strand (participates in β ladder)trans-89.5132.2172.6-59.9-92.9000108.8C6 W11 I12 Y104 F105 Q201 A202 F204C6-F8 WeakPolarHBondContact SG-CE2 3.18Å; C6-F8 VanDerWaalsContact SG-CZ 3.56Å; F8-W11 HydrophobicContact CB-CZ2 4.44Å; F8-W11 AromaticContact CD1-CH2 3.76Å; F8-W11 HydrophobicContact CD1-CH2 3.76Å; F8-W11 AromaticContact CD1-CZ2 3.7Å; F8-W11 HydrophobicContact CD1-CZ2 3.7Å; F8-W11 HydrophobicContact CE1-CH2 4.37Å; F8-I12 HydrophobicContact CB-CB 4.06Å; F8-I12 HydrophobicContact CB-CD1 3.65Å; F8-I12 HydrophobicContact CB-CG1 4.47Å; F8-I12 HydrophobicContact CB-CG2 3.83Å; F8-I12 HydrophobicContact CD1-CD1 3.53Å; F8-I12 HydrophobicContact CD2-CD1 4.06Å; F8-I12 HydrophobicContact CE1-CD1 4.14Å; F8-I12 HydrophobicContact CG-CD1 3.48Å; F8-I12 VanDerWaalsContact CG-CD1 3.48Å; F8-Y104 HydrophobicContact CD1-CD2 4.28Å; F8-Y104 HydrophobicContact CD1-CE2 4.4Å; F8-Y104 HydrophobicContact CE1-CD1 4.45Å; F8-Y104 AromaticContact CE1-CD2 3.57Å; F8-Y104 HydrophobicContact CE1-CD2 3.57Å; F8-Y104 AromaticContact CE1-CE2 3.91Å; F8-Y104 HydrophobicContact CE1-CE2 3.91Å; F8-Y104 AromaticContact CE1-CG 3.88Å; F8-Y104 HydrophobicContact CE1-CG 3.88Å; F8-Y104 HydrophobicContact CZ-CD2 4.04Å; F8-Y104 HydrophobicContact CZ-CG 4.01Å; F8-F105 HydrophobicContact CD2-CE1 4.45Å; F8-F105 AromaticContact CD2-CZ 3.85Å; F8-F105 HydrophobicContact CD2-CZ 3.85Å; F8-F105 AromaticContact CE2-CE1 3.66Å; F8-F105 HydrophobicContact CE2-CE1 3.66Å; F8-F105 AromaticContact CE2-CZ 3.52Å; F8-F105 HydrophobicContact CE2-CZ 3.52Å; F8-F105 HydrophobicContact CZ-CE1 4.06Å; F8-F105 HydrophobicContact CZ-CZ 4.2Å; F8-Q201 CarbonylContact O-C 3.58Å; F8-Q201 VanDerWaalsContact O-CA 3.29Å; F8-Q201 WeakPolarHBondContact O-CA 3.42Å; F8-Q201 WeakPolarHBondContact O-CB 3.34Å; F8-A202 HydrophobicContact CB-CB 4.25Å; F8-A202 HydrophobicContact CD2-CB 4.49Å; F8-A202 PolarHBondContact N-O 2.78Å; F8-A202 PolarHBondContact O-N 3.47Å; F8-F204 HydrophobicContact CE2-CB 4.29Å
9D97.4Very high89.8Confident82 Ų8281 Ų8144%0.43941%0.406SS..  trans-76.6174.3177.4-154.1-9.3000111.3W11 I12 Q201D9-W11 PolarHBondContact O-N 2.47Å; D9-I12 WeakPolarHBondContact O-CG2 3.37Å; D9-I12 PolarHBondContact O-N 3.09Å; D9-Q201 PolarHBondContact OD1-NE2 3.25Å; D9-Q201 VanDerWaalsContact OD1-NE2 3.17Å
10S96.7Very high89.9Confident60 Ų6083.9 Ų83.942%0.4242%0.416SS..G310 helixtrans-51.7-17.5-174.357.60000116.4I12 T13 K14 G200S10-I12 PolarHBondContact O-N 2.91Å; S10-T13 PolarHBondContact O-N 3.1Å; S10-T13 PolarHBondContact O-OG1 3.42Å; S10-K14 PolarHBondContact O-N 3.13Å; S10-K14 VanDerWaalsContact O-N 3.14Å; S10-G200 WeakPolarHBondContact CA-O 3.08Å
11W96.9Very high90.1Very high136 Ų13681.8 Ų81.852%0.51541%0.409SS..G310 helixtrans-59.4-28.8174.161.9-100.5000112.9F8 D9 T13 K14 Y104F8-W11 HydrophobicContact CB-CZ2 4.44Å; F8-W11 AromaticContact CD1-CH2 3.76Å; F8-W11 HydrophobicContact CD1-CH2 3.76Å; F8-W11 AromaticContact CD1-CZ2 3.7Å; F8-W11 HydrophobicContact CD1-CZ2 3.7Å; F8-W11 HydrophobicContact CE1-CH2 4.37Å; D9-W11 PolarHBondContact O-N 2.47Å; W11-T13 VanDerWaalsContact C-N 3.31Å; W11-T13 PolarHBondContact O-N 3.45Å; W11-K14 WeakPolarHBondContact O-CB 3.14Å; W11-K14 PolarHBondContact O-N 3.03Å; W11-Y104 AromaticContact CH2-CE2 3.6Å; W11-Y104 HydrophobicContact CH2-CE2 3.6Å; W11-Y104 AromaticContact CZ3-CE2 3.99Å; W11-Y104 HydrophobicContact CZ3-CE2 3.99Å
12I97Very high92.3Very high15 Ų1570.5 Ų70.58%0.07735%0.354CS..G310 helixtrans-70.9-27.2-176.1-161.7158.5000113.2F8 D9 S10 W16 P102 Y104 F105 A202F8-I12 HydrophobicContact CB-CB 4.06Å; F8-I12 HydrophobicContact CB-CD1 3.65Å; F8-I12 HydrophobicContact CB-CG1 4.47Å; F8-I12 HydrophobicContact CB-CG2 3.83Å; F8-I12 HydrophobicContact CD1-CD1 3.53Å; F8-I12 HydrophobicContact CD2-CD1 4.06Å; F8-I12 HydrophobicContact CE1-CD1 4.14Å; F8-I12 HydrophobicContact CG-CD1 3.48Å; F8-I12 VanDerWaalsContact CG-CD1 3.48Å; D9-I12 WeakPolarHBondContact O-CG2 3.37Å; D9-I12 PolarHBondContact O-N 3.09Å; S10-I12 PolarHBondContact O-N 2.91Å; I12-W16 PolarHBondContact O-NE1 2.9Å; I12-P102 HydrophobicContact CD1-CB 3.85Å; I12-P102 HydrophobicContact CD1-CG 3.93Å; I12-P102 HydrophobicContact CG1-CB 3.93Å; I12-P102 HydrophobicContact CG1-CG 3.69Å; I12-Y104 HydrophobicContact CD1-CD2 4.07Å; I12-Y104 HydrophobicContact CD1-CE2 4.39Å; I12-F105 HydrophobicContact CD1-CE2 4.23Å; I12-F105 HydrophobicContact CD1-CZ 4.4Å; I12-A202 HydrophobicContact CG2-CB 3.84Å
13T96.7Very high93.6Very high3 Ų364.5 Ų64.52%0.01833%0.329CS..THydrogen-bonded Turntrans-109.30.9178.761.70000113.1S10 W11 N15 W16 C19 A150 G200S10-T13 PolarHBondContact O-N 3.1Å; S10-T13 PolarHBondContact O-OG1 3.42Å; W11-T13 VanDerWaalsContact C-N 3.31Å; W11-T13 PolarHBondContact O-N 3.45Å; T13-N15 PolarHBondContact O-N 3.24Å; T13-W16 HydrophobicContact CG2-CD2 3.92Å; T13-W16 HydrophobicContact CG2-CE3 3.7Å; T13-W16 HydrophobicContact CG2-CH2 3.98Å; T13-W16 HydrophobicContact CG2-CZ2 4.17Å; T13-W16 HydrophobicContact CG2-CZ3 3.74Å; T13-W16 WeakPolarHBondContact O-CB 3.36Å; T13-W16 PolarHBondContact O-N 3.25Å; T13-C19 PolarHBondContact O-SG 3.26Å; T13-A150 HydrophobicContact CG2-CB 3.92Å; T13-G200 VanDerWaalsContact CG2-O 3.3Å; T13-G200 WeakPolarHBondContact CG2-O 3.4Å; T13-G200 WeakPolarHBondContact OG1-CA 3.17Å; T13-G200 PolarHBondContact OG1-O 3.23Å
14K95Very high94.5Very high142 Ų14258.6 Ų58.662%0.61730%0.298SS*.THydrogen-bonded Turntrans-51.4-35.8-171.7-179.3-179176.6-176.70114.1S10 W11 F20S10-K14 PolarHBondContact O-N 3.13Å; S10-K14 VanDerWaalsContact O-N 3.14Å; W11-K14 WeakPolarHBondContact O-CB 3.14Å; W11-K14 PolarHBondContact O-N 3.03Å; K14-F20 WeakPolarHBondContact O-CE2 3.16Å
15N94.1Very high94.8Very high141 Ų14157.8 Ų57.875%0.75431%0.307SS*.THydrogen-bonded Turntrans-99.95.2-176.3-61.9-25.6000113.2T13T13-N15 PolarHBondContact O-N 3.24Å
16W95.9Very high94.8Very high5 Ų561.9 Ų61.92%0.01933%0.329CS..  trans-76.1130179.5-65.54.4000109.8I12 T13 V18 C19 F99 S100 P102 W148 A150 I152 I222I12-W16 PolarHBondContact O-NE1 2.9Å; T13-W16 HydrophobicContact CG2-CD2 3.92Å; T13-W16 HydrophobicContact CG2-CE3 3.7Å; T13-W16 HydrophobicContact CG2-CH2 3.98Å; T13-W16 HydrophobicContact CG2-CZ2 4.17Å; T13-W16 HydrophobicContact CG2-CZ3 3.74Å; T13-W16 WeakPolarHBondContact O-CB 3.36Å; T13-W16 PolarHBondContact O-N 3.25Å; W16-V18 HydrophobicContact CB-CG2 3.79Å; W16-V18 HydrophobicContact CE3-CG2 3.99Å; W16-V18 PolarHBondContact O-N 3.16Å; W16-C19 WeakPolarHBondContact O-CB 3.41Å; W16-C19 PolarHBondContact O-N 3.39Å; W16-C19 VanDerWaalsContact O-N 3.14Å; W16-F99 HydrophobicContact CB-CB 4.01Å; W16-F99 HydrophobicContact CD2-CB 3.35Å; W16-F99 HydrophobicContact CD2-CG 4.28Å; W16-F99 HydrophobicContact CE3-CB 3.63Å; W16-F99 HydrophobicContact CE3-CG 4.23Å; W16-F99 HydrophobicContact CG-CB 3.53Å; W16-F99 HydrophobicContact CH2-CD2 4.07Å; W16-F99 HydrophobicContact CH2-CG 4.48Å; W16-F99 HydrophobicContact CZ2-CB 4.3Å; W16-F99 HydrophobicContact CZ2-CD2 4.02Å; W16-F99 HydrophobicContact CZ3-CB 4.19Å; W16-F99 HydrophobicContact CZ3-CD2 4.36Å; W16-F99 HydrophobicContact CZ3-CG 4.32Å; W16-S100 PolarHBondContact NE1-O 3.39Å; W16-S100 VanDerWaalsContact NE1-O 3.13Å; W16-P102 HydrophobicContact CZ2-CG 3.88Å; W16-W148 AromaticContact CH2-CH2 3.83Å; W16-W148 HydrophobicContact CH2-CH2 3.83Å; W16-W148 AromaticContact CH2-CZ3 3.64Å; W16-W148 HydrophobicContact CH2-CZ3 3.64Å; W16-W148 HydrophobicContact CZ3-CZ3 4.24Å; W16-A150 HydrophobicContact CH2-CB 3.7Å; W16-A150 HydrophobicContact CZ3-CB 3.54Å; W16-I152 HydrophobicContact CE3-CD1 3.77Å; W16-I152 HydrophobicContact CZ3-CD1 3.93Å; W16-I222 HydrophobicContact CE3-CD1 4.23Å; W16-I222 HydrophobicContact CZ3-CB 4.46Å; W16-I222 HydrophobicContact CZ3-CD1 4.02Å
17S93.8Very high94.7Very high47 Ų4761 Ų6133%0.32933%0.329SS..THydrogen-bonded Turntrans-60.7-32.9-179.371.50000111.9C19 F20 S21 S97 W98S17-C19 PolarHBondContact O-N 3.31Å; S17-F20 PolarHBondContact O-N 3.39Å; S17-S21 WeakPolarHBondContact O-CB 3.3Å; S17-S21 PolarHBondContact O-N 2.87Å; S17-S21 PolarHBondContact O-OG 3.35Å; S17-S97 PolarHBondContact OG-O 3.43Å; S17-S97 VanDerWaalsContact OG-O 3.05Å; S17-W98 PolarHBondContact N-O 3.07Å; S17-W98 VanDerWaalsContact OG-CA 3.27Å; S17-W98 WeakPolarHBondContact OG-CA 3.45Å; S17-W98 PolarHBondContact OG-O 3.42Å
18V93.8Very high94.6Very high0 Ų062.8 Ų62.80%034%0.339CS..Hα-helixtrans-58.7-29.6178.4-66.70000113.7W16 F20 S21 W22 W98 I152 I222W16-V18 HydrophobicContact CB-CG2 3.79Å; W16-V18 HydrophobicContact CE3-CG2 3.99Å; W16-V18 PolarHBondContact O-N 3.16Å; V18-F20 PolarHBondContact O-N 3.05Å; V18-S21 WeakPolarHBondContact CA-OG 3.36Å; V18-W22 HydrophobicContact CB-CD2 3.98Å; V18-W22 HydrophobicContact CB-CE3 3.66Å; V18-W22 HydrophobicContact CB-CH2 3.89Å; V18-W22 HydrophobicContact CB-CZ2 4.2Å; V18-W22 HydrophobicContact CB-CZ3 3.61Å; V18-W22 HydrophobicContact CG1-CD2 4.07Å; V18-W22 HydrophobicContact CG1-CE3 4Å; V18-W22 HydrophobicContact CG1-CH2 3.36Å; V18-W22 HydrophobicContact CG1-CZ2 3.43Å; V18-W22 VanDerWaalsContact CG1-CZ2 3.43Å; V18-W22 HydrophobicContact CG1-CZ3 3.66Å; V18-W22 HydrophobicContact CG2-CZ3 4.39Å; V18-W98 HydrophobicContact CG1-CB 3.74Å; V18-W98 HydrophobicContact CG1-CD2 4.3Å; V18-W98 HydrophobicContact CG1-CE3 3.77Å; V18-W98 HydrophobicContact CG1-CG 4.35Å; V18-W98 PolarHBondContact N-O 2.86Å; V18-I152 HydrophobicContact CB-CG2 4.42Å; V18-I152 HydrophobicContact CG2-CD1 3.83Å; V18-I152 HydrophobicContact CG2-CG1 4.24Å; V18-I152 HydrophobicContact CG2-CG2 4.35Å; V18-I222 HydrophobicContact CG1-CD1 4.45Å; V18-I222 HydrophobicContact CG2-CD1 3.92Å
19C93.5Very high94.6Very high13 Ų1362.5 Ų62.59%0.08834%0.338CS..Hα-helixtrans-66.6-13.2175.7-65.40000112.7T13 W16 S17 Q23T13-C19 PolarHBondContact O-SG 3.26Å; W16-C19 WeakPolarHBondContact O-CB 3.41Å; W16-C19 PolarHBondContact O-N 3.39Å; W16-C19 VanDerWaalsContact O-N 3.14Å; S17-C19 PolarHBondContact O-N 3.31Å; C19-Q23 PolarHBondContact O-NE2 3.01Å
20F92.2Very high94.5Very high138 Ų13860.4 Ų60.461%0.60533%0.327SS*.Hα-helixtrans-123.3-33178.5-49.9-78.1000112K14 S17 V18 W22K14-F20 WeakPolarHBondContact O-CE2 3.16Å; S17-F20 PolarHBondContact O-N 3.39Å; V18-F20 PolarHBondContact O-N 3.05Å; F20-W22 PolarHBondContact O-N 3.21Å
21S92.8Very high94.4Very high40 Ų4058.1 Ų58.128%0.2831%0.31SS..Hα-helixtrans-74.7-22.8-17467.20000113.7S17 V18 K33S17-S21 WeakPolarHBondContact O-CB 3.3Å; S17-S21 PolarHBondContact O-N 2.87Å; S17-S21 PolarHBondContact O-OG 3.35Å; V18-S21 WeakPolarHBondContact CA-OG 3.36Å; S21-K33 VanDerWaalsContact O-CB 3.25Å; S21-K33 WeakPolarHBondContact O-CB 3.15Å; S21-K33 WeakPolarHBondContact O-CD 3.35Å
22W94.5Very high94.3Very high1 Ų159.5 Ų59.50%0.00432%0.32CS..THydrogen-bonded Turntrans-103.13.8-178.7-62.4-24.2000113.7V18 F20 D30 V34 Y89 F90 W98 L127 I152 I220 I222V18-W22 HydrophobicContact CB-CD2 3.98Å; V18-W22 HydrophobicContact CB-CE3 3.66Å; V18-W22 HydrophobicContact CB-CH2 3.89Å; V18-W22 HydrophobicContact CB-CZ2 4.2Å; V18-W22 HydrophobicContact CB-CZ3 3.61Å; V18-W22 HydrophobicContact CG1-CD2 4.07Å; V18-W22 HydrophobicContact CG1-CE3 4Å; V18-W22 HydrophobicContact CG1-CH2 3.36Å; V18-W22 HydrophobicContact CG1-CZ2 3.43Å; V18-W22 VanDerWaalsContact CG1-CZ2 3.43Å; V18-W22 HydrophobicContact CG1-CZ3 3.66Å; V18-W22 HydrophobicContact CG2-CZ3 4.39Å; F20-W22 PolarHBondContact O-N 3.21Å; W22-D30 PolarHBondContact O-N 3.17Å; W22-V34 HydrophobicContact CB-CG2 3.81Å; W22-V34 HydrophobicContact CD2-CG2 4.22Å; W22-V34 HydrophobicContact CG-CG2 3.74Å; W22-Y89 HydrophobicContact CH2-CE1 4.43Å; W22-Y89 HydrophobicContact CZ2-CD1 4.32Å; W22-Y89 AromaticContact CZ2-CE1 3.69Å; W22-Y89 HydrophobicContact CZ2-CE1 3.69Å; W22-Y89 AromaticContact CZ2-CZ 3.84Å; W22-F90 HydrophobicContact CH2-CE1 4.3Å; W22-F90 HydrophobicContact CH2-CZ 4.11Å; W22-W98 HydrophobicContact CZ2-CE3 4.25Å; W22-W98 HydrophobicContact CZ2-CZ3 4.47Å; W22-W98 AromaticContact NE1-CZ3 3.7Å; W22-L127 HydrophobicContact CH2-CD1 3.46Å; W22-L127 VanDerWaalsContact CH2-CD1 3.46Å; W22-L127 HydrophobicContact CH2-CD2 4.26Å; W22-L127 HydrophobicContact CZ3-CD1 3.49Å; W22-L127 VanDerWaalsContact CZ3-CD1 3.49Å; W22-I152 HydrophobicContact CE3-CG2 4.28Å; W22-I152 HydrophobicContact CZ3-CG1 4.3Å; W22-I220 HydrophobicContact CD2-CD1 4.03Å; W22-I220 HydrophobicContact CE3-CD1 3.45Å; W22-I220 VanDerWaalsContact CE3-CD1 3.45Å; W22-I220 HydrophobicContact CE3-CG1 4.16Å; W22-I220 HydrophobicContact CZ3-CD1 3.79Å; W22-I220 HydrophobicContact CZ3-CG1 4.2Å; W22-I222 HydrophobicContact CH2-CD1 4.42Å; W22-I222 HydrophobicContact CZ3-CD1 4.47Å; W22-I222 HydrophobicContact CZ3-CG1 4.48Å
23Q94.6Very high94.1Very high53 Ų5362.5 Ų62.525%0.24833%0.332CS..BIsolated β-bridgetrans-95.7139179.9-70.9-177.318.300111.4C19 L28 K33 L153C19-Q23 PolarHBondContact O-NE2 3.01Å; Q23-L28 CarbonylContact C-O 3.57Å; Q23-L28 VanDerWaalsContact CA-O 3.27Å; Q23-L28 WeakPolarHBondContact CA-O 3.4Å; Q23-K33 PolarHBondContact O-NZ 2.93Å; Q23-L153 HydrophobicContact CG-CD1 3.43Å; Q23-L153 VanDerWaalsContact CG-CD1 3.43Å; Q23-L153 HydrophobicContact CG-CD2 3.72Å; Q23-L153 HydrophobicContact CG-CG 3.93Å
24S93.9Very high93.9Very high23 Ų2362.4 Ų62.416%0.16133%0.331CS..  trans-76.4164.7161.242.30000110.6D26 G27 L28S24-D26 WeakPolarHBondContact CB-OD1 3.25Å; S24-D26 PolarHBondContact O-N 3.03Å; S24-D26 VanDerWaalsContact O-N 3.09Å; S24-D26 PolarHBondContact OG-OD1 2.88Å; S24-G27 PolarHBondContact O-N 3.46Å; S24-L28 PolarHBondContact N-O 3.21Å; S24-L28 WeakPolarHBondContact OG-CB 3.46Å; S24-L28 PolarHBondContact OG-N 2.82Å; S24-L28 PolarHBondContact OG-O 2.93Å
25P92Very high93.8Very high142 Ų14256.2 Ų56.292%0.92231%0.305SS*.THydrogen-bonded Turntrans-58.9-20.2-179.5-26.536.2000115.3G27P25-G27 VanDerWaalsContact C-N 3.34Å
26D92.3Very high93.6Very high111 Ų11157.2 Ų57.259%0.59430%0.302SS*.THydrogen-bonded Turntrans-88.44.1174.762-7.2000113.5S24 L28S24-D26 WeakPolarHBondContact CB-OD1 3.25Å; S24-D26 PolarHBondContact O-N 3.03Å; S24-D26 VanDerWaalsContact O-N 3.09Å; S24-D26 PolarHBondContact OG-OD1 2.88Å; D26-L28 PolarHBondContact OD1-N 3.38Å; D26-L28 WeakPolarHBondContact OD2-CD1 3.48Å
27G91.6Very high92.9Very high35 Ų3561.5 Ų61.536%0.36133%0.325SS..SBendtrans80.212177.800000114.9S24 P25S24-G27 PolarHBondContact O-N 3.46Å; P25-G27 VanDerWaalsContact C-N 3.34Å
28L94.6Very high92.4Very high105 Ų10559.7 Ų59.755%0.5531%0.313SS..SBendtrans-89.9167.7175.8-57.2-178.3000112Q23 S24 D26 D30Q23-L28 CarbonylContact C-O 3.57Å; Q23-L28 VanDerWaalsContact CA-O 3.27Å; Q23-L28 WeakPolarHBondContact CA-O 3.4Å; S24-L28 PolarHBondContact N-O 3.21Å; S24-L28 WeakPolarHBondContact OG-CB 3.46Å; S24-L28 PolarHBondContact OG-N 2.82Å; S24-L28 PolarHBondContact OG-O 2.93Å; D26-L28 PolarHBondContact OD1-N 3.38Å; D26-L28 WeakPolarHBondContact OD2-CD1 3.48Å; L28-D30 PolarHBondContact O-N 2.77Å
29I97.4Very high91.3Very high21 Ų2164.9 Ų64.911%0.10835%0.349CS..BIsolated β-bridgetrans-70.4120.3174.9-55.8173.3000109L31 V34 W70 L129 L153 N218 C219 I220I29-L31 HydrophobicContact CG2-CD2 4.03Å; I29-V34 HydrophobicContact CG2-CG2 4.21Å; I29-W70 HydrophobicContact CB-CZ2 4.45Å; I29-W70 HydrophobicContact CD1-CH2 4.11Å; I29-W70 HydrophobicContact CD1-CZ2 4.13Å; I29-L129 HydrophobicContact CD1-CD1 4.16Å; I29-L129 HydrophobicContact CG2-CD1 4.04Å; I29-L153 HydrophobicContact CB-CD1 4.36Å; I29-L153 HydrophobicContact CD1-CB 4.46Å; I29-L153 HydrophobicContact CG1-CB 3.96Å; I29-L153 HydrophobicContact CG1-CD1 3.68Å; I29-L153 HydrophobicContact CG1-CG 4.48Å; I29-N218 HydrophobicContact CD1-CB 4.11Å; I29-C219 VanDerWaalsContact CD1-C 3.48Å; I29-I220 HydrophobicContact CD1-CB 4.06Å; I29-I220 HydrophobicContact CD1-CG2 4.07Å; I29-I220 HydrophobicContact CG1-CG2 4.14Å
30D95.7Very high90.6Very high38 Ų3868.2 Ų68.220%0.20339%0.386CS..  trans-96.497.7174.3-173.5-23.7000110.3W22 L28 K32 K33 V34W22-D30 PolarHBondContact O-N 3.17Å; L28-D30 PolarHBondContact O-N 2.77Å; D30-K32 PolarHBondContact O-N 3.34Å; D30-K32 WeakPolarHBondContact OD1-CB 3.5Å; D30-K32 PolarHBondContact OD1-N 3.4Å; D30-K33 HydrophobicContact CB-CB 4.13Å; D30-K33 HydrophobicContact CB-CD 3.94Å; D30-K33 HydrophobicContact CB-CG 4.06Å; D30-K33 PolarHBondContact O-N 3.39Å; D30-K33 PolarHBondContact OD1-N 3.43Å; D30-K33 WeakPolarHBondContact OD2-CD 3.42Å; D30-K33 WeakPolarHBondContact OD2-CE 3.27Å; D30-K33 WeakPolarHBondContact OD2-CG 3.37Å; D30-K33 IonicContact OD2-NZ 3.01Å; D30-V34 WeakPolarHBondContact O-CG2 3.35Å; D30-V34 PolarHBondContact O-N 3.31Å
31L95Very high90.1Very high12 Ų1263.6 Ų63.66%0.06337%0.366CS..Hα-helixtrans-59.3-32.9-179.1-66.5-167.4000113.2I29 K33 V34 F35 I67 W70 L129I29-L31 HydrophobicContact CG2-CD2 4.03Å; L31-K33 VanDerWaalsContact C-N 3.25Å; L31-K33 PolarHBondContact O-N 2.79Å; L31-V34 PolarHBondContact O-N 3.16Å; L31-F35 HydrophobicContact CB-CD2 4.14Å; L31-F35 HydrophobicContact CB-CE2 4.25Å; L31-F35 HydrophobicContact CD1-CE2 4.47Å; L31-F35 HydrophobicContact CD2-CE2 4.12Å; L31-F35 WeakPolarHBondContact O-CD2 3.48Å; L31-F35 PolarHBondContact O-N 3.33Å; L31-I67 HydrophobicContact CB-CG1 4.15Å; L31-I67 HydrophobicContact CD1-CB 4.46Å; L31-I67 HydrophobicContact CD1-CG1 4.04Å; L31-W70 HydrophobicContact CD1-CB 3.48Å; L31-W70 VanDerWaalsContact CD1-CB 3.48Å; L31-W70 HydrophobicContact CD1-CD2 3.79Å; L31-W70 HydrophobicContact CD1-CE3 4.38Å; L31-W70 HydrophobicContact CD1-CG 3.37Å; L31-W70 HydrophobicContact CD2-CD2 4.33Å; L31-W70 HydrophobicContact CG-CD2 4.35Å; L31-W70 HydrophobicContact CG-CG 4.24Å; L31-L129 HydrophobicContact CD2-CD1 4.16Å; L31-L129 HydrophobicContact CD2-CD2 3.74Å; L31-L129 HydrophobicContact CD2-CG 4.47Å
32K93Very high90.1Very high165 Ų16568.3 Ų68.372%0.71738%0.381SS*.Hα-helixtrans-65.5-35.2178.2-67.6-179.7177.5177.80110.8D30 K36D30-K32 PolarHBondContact O-N 3.34Å; D30-K32 WeakPolarHBondContact OD1-CB 3.5Å; D30-K32 PolarHBondContact OD1-N 3.4Å; K32-K36 WeakPolarHBondContact O-CB 3.48Å; K32-K36 PolarHBondContact O-N 2.85Å; K32-K36 VanDerWaalsContact O-N 3.16Å
33K93.5Very high90.1Very high78 Ų7868.3 Ų68.334%0.33938%0.382SS..Hα-helixtrans-74.3-39.7175.2-66.5-179.1-174176.40112.4S21 Q23 D30 L31 K36S21-K33 VanDerWaalsContact O-CB 3.25Å; S21-K33 WeakPolarHBondContact O-CB 3.15Å; S21-K33 WeakPolarHBondContact O-CD 3.35Å; Q23-K33 PolarHBondContact O-NZ 2.93Å; D30-K33 HydrophobicContact CB-CB 4.13Å; D30-K33 HydrophobicContact CB-CD 3.94Å; D30-K33 HydrophobicContact CB-CG 4.06Å; D30-K33 PolarHBondContact O-N 3.39Å; D30-K33 PolarHBondContact OD1-N 3.43Å; D30-K33 WeakPolarHBondContact OD2-CD 3.42Å; D30-K33 WeakPolarHBondContact OD2-CE 3.27Å; D30-K33 WeakPolarHBondContact OD2-CG 3.37Å; D30-K33 IonicContact OD2-NZ 3.01Å; L31-K33 VanDerWaalsContact C-N 3.25Å; L31-K33 PolarHBondContact O-N 2.79Å; K33-K36 WeakPolarHBondContact O-CB 3.37Å; K33-K36 PolarHBondContact O-N 3.31Å
34V93.7Very high90.2Very high0 Ų069 Ų690%039%0.391CS..Hα-helixtrans-60.2-49.4175.4175.70000110.5W22 I29 D30 L31 K36 W87 Y89 L127 L129 I220W22-V34 HydrophobicContact CB-CG2 3.81Å; W22-V34 HydrophobicContact CD2-CG2 4.22Å; W22-V34 HydrophobicContact CG-CG2 3.74Å; I29-V34 HydrophobicContact CG2-CG2 4.21Å; D30-V34 WeakPolarHBondContact O-CG2 3.35Å; D30-V34 PolarHBondContact O-N 3.31Å; L31-V34 PolarHBondContact O-N 3.16Å; V34-K36 VanDerWaalsContact C-N 3.31Å; V34-K36 PolarHBondContact O-N 2.9Å; V34-W87 HydrophobicContact CG1-CZ3 4.18Å; V34-Y89 HydrophobicContact CG1-CE2 4.43Å; V34-Y89 WeakPolarHBondContact O-CE2 3.39Å; V34-Y89 PolarHBondContact O-OH 3.25Å; V34-Y89 VanDerWaalsContact O-OH 3.1Å; V34-L127 HydrophobicContact CG1-CD2 4.27Å; V34-L129 HydrophobicContact CG1-CD2 4.39Å; V34-I220 HydrophobicContact CG1-CD1 4.09Å; V34-I220 HydrophobicContact CG2-CD1 3.7Å
35F92.8Very high90.4Very high12 Ų1268 Ų685%0.05338%0.384CS..G310 helixtrans-852.9-177.3-65.2-66.8000114.4L31 N37 V38 L43 V63 F66 I67 L84 W87 L129L31-F35 HydrophobicContact CB-CD2 4.14Å; L31-F35 HydrophobicContact CB-CE2 4.25Å; L31-F35 HydrophobicContact CD1-CE2 4.47Å; L31-F35 HydrophobicContact CD2-CE2 4.12Å; L31-F35 WeakPolarHBondContact O-CD2 3.48Å; L31-F35 PolarHBondContact O-N 3.33Å; F35-N37 PolarHBondContact O-N 3.04Å; F35-N37 VanDerWaalsContact O-N 3.1Å; F35-V38 HydrophobicContact CD1-CB 4.4Å; F35-V38 PolarHBondContact O-N 3.44Å; F35-L43 HydrophobicContact CE1-CD1 3.78Å; F35-L43 HydrophobicContact CE1-CD2 4.18Å; F35-L43 HydrophobicContact CZ-CD1 3.97Å; F35-V63 HydrophobicContact CB-CG1 3.68Å; F35-V63 HydrophobicContact CD1-CG1 3.88Å; F35-V63 HydrophobicContact CD1-CG2 4.01Å; F35-V63 HydrophobicContact CD2-CG1 3.92Å; F35-V63 HydrophobicContact CE1-CG2 4.4Å; F35-V63 HydrophobicContact CG-CG1 3.56Å; F35-F66 AromaticContact CE2-CD1 3.88Å; F35-F66 HydrophobicContact CE2-CD1 3.88Å; F35-F66 HydrophobicContact CE2-CE1 4.34Å; F35-F66 AromaticContact CZ-CD1 3.71Å; F35-F66 HydrophobicContact CZ-CD1 3.71Å; F35-F66 HydrophobicContact CZ-CE1 4.1Å; F35-I67 HydrophobicContact CD2-CD1 4.01Å; F35-I67 HydrophobicContact CD2-CG1 4.02Å; F35-I67 HydrophobicContact CE2-CG1 4.18Å; F35-L84 HydrophobicContact CE1-CD2 4.08Å; F35-L84 HydrophobicContact CZ-CD2 3.97Å; F35-W87 AromaticContact CD1-CH2 3.44Å; F35-W87 HydrophobicContact CD1-CH2 3.44Å; F35-W87 VanDerWaalsContact CD1-CH2 3.44Å; F35-W87 HydrophobicContact CD1-CZ2 4.25Å; F35-W87 HydrophobicContact CD1-CZ3 4.14Å; F35-W87 AromaticContact CE1-CH2 3.24Å; F35-W87 HydrophobicContact CE1-CH2 3.24Å; F35-W87 HydrophobicContact CE1-CZ2 4.08Å; F35-W87 AromaticContact CE1-CZ3 3.55Å; F35-W87 HydrophobicContact CE1-CZ3 3.55Å; F35-W87 HydrophobicContact CZ-CH2 4.33Å; F35-W87 HydrophobicContact CZ-CZ3 4.26Å; F35-L129 HydrophobicContact CE2-CD2 4.18Å; F35-L129 HydrophobicContact CZ-CD2 3.91Å
36K88.6Confident90.7Very high162 Ų16261.5 Ų61.570%0.70434%0.342SS*.G310 helixtrans-54.2-37.6-174.5-177.9179170.2-177.90113.5K32 K33 V34K32-K36 WeakPolarHBondContact O-CB 3.48Å; K32-K36 PolarHBondContact O-N 2.85Å; K32-K36 VanDerWaalsContact O-N 3.16Å; K33-K36 WeakPolarHBondContact O-CB 3.37Å; K33-K36 PolarHBondContact O-N 3.31Å; V34-K36 VanDerWaalsContact C-N 3.31Å; V34-K36 PolarHBondContact O-N 2.9Å
37N82.4Confident90.9Very high95 Ų9556.8 Ų56.851%0.50832%0.317SS..G310 helixtrans-10212.8-176.8-63.4-25000112.7F35 W98F35-N37 PolarHBondContact O-N 3.04Å; F35-N37 VanDerWaalsContact O-N 3.1Å; N37-W98 WeakPolarHBondContact ND2-CH2 3.4Å; N37-W98 VanDerWaalsContact ND2-CZ2 3.3Å; N37-W98 WeakPolarHBondContact ND2-CZ2 3.47Å
38V82.8Confident91.2Very high10 Ų1055.5 Ų55.56%0.06130%0.302CS..  trans-124.783.2-174.8-176.30000107.5F35 E41 V63 W87 Y89F35-V38 HydrophobicContact CD1-CB 4.4Å; F35-V38 PolarHBondContact O-N 3.44Å; V38-E41 HydrophobicContact CG1-CB 3.92Å; V38-E41 VanDerWaalsContact CG1-CD 3.42Å; V38-E41 HydrophobicContact CG1-CG 3.93Å; V38-E41 WeakPolarHBondContact CG1-OE2 3.31Å; V38-V63 HydrophobicContact CG1-CG2 4.47Å; V38-W87 HydrophobicContact CB-CH2 4.41Å; V38-W87 HydrophobicContact CB-CZ2 4.1Å; V38-W87 HydrophobicContact CG1-CH2 4.24Å; V38-W87 HydrophobicContact CG1-CZ2 3.55Å; V38-W87 HydrophobicContact CG2-CH2 3.9Å; V38-W87 HydrophobicContact CG2-CZ2 3.66Å; V38-Y89 HydrophobicContact CG2-CD2 4.06Å; V38-Y89 HydrophobicContact CG2-CE2 3.64Å
39S70.8Confident91.1Very high108 Ų10853.4 Ų53.476%0.75530%0.296SS*.  trans-103.9130.8179.561.40000111.4E41S39-E41 VanDerWaalsContact C-N 3.3Å; S39-E41 PolarHBondContact O-N 3.06Å
40G78.5Confident91Very high84 Ų8455 Ų5587%0.86631%0.307SS*.SBendtrans74.912.4171.900000115.5
41E81.7Confident90.8Very high40 Ų4057.9 Ų57.919%0.18732%0.321CS..PPolyproline II helixtrans-83142.7174.9-67.8-177.8-159.700111.4V38 S39 K92V38-E41 HydrophobicContact CG1-CB 3.92Å; V38-E41 VanDerWaalsContact CG1-CD 3.42Å; V38-E41 HydrophobicContact CG1-CG 3.93Å; V38-E41 WeakPolarHBondContact CG1-OE2 3.31Å; S39-E41 VanDerWaalsContact C-N 3.3Å; S39-E41 PolarHBondContact O-N 3.06Å; E41-K92 VanDerWaalsContact CD-NZ 3.35Å; E41-K92 VanDerWaalsContact OE1-CD 3.22Å; E41-K92 WeakPolarHBondContact OE1-CD 3.3Å; E41-K92 WeakPolarHBondContact OE1-CE 3.39Å; E41-K92 IonicContact OE1-NZ 2.93Å; E41-K92 PolarHBondContact OE1-NZ 2.92Å
42K92.1Very high90.6Very high140 Ų14062 Ų6261%0.60934%0.34SS*.EExtended strand (participates in β ladder)trans-81.4134.8161.4-70-176.7166.3-168.30108.9E60K42-E60 HydrophobicContact CD-CB 4.46Å; K42-E60 WeakPolarHBondContact CD-OE2 3.48Å; K42-E60 IonicContact NZ-OE2 2.64Å; K42-E60 PolarHBondContact NZ-OE2 3.31Å
43L95.2Very high90.4Very high1 Ų163.7 Ų63.71%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-100.5131.4177.1-56.2178.1000109F35 V45 E60 V61 V63 F66 L84 W87F35-L43 HydrophobicContact CE1-CD1 3.78Å; F35-L43 HydrophobicContact CE1-CD2 4.18Å; F35-L43 HydrophobicContact CZ-CD1 3.97Å; L43-V45 HydrophobicContact CB-CG2 4.01Å; L43-E60 CarbonylContact O-C 3.49Å; L43-E60 WeakPolarHBondContact O-CA 3.49Å; L43-V61 HydrophobicContact CB-CG2 4.03Å; L43-V61 PolarHBondContact N-O 3.19Å; L43-V61 PolarHBondContact O-N 2.73Å; L43-V63 HydrophobicContact CD1-CG2 4.05Å; L43-V63 HydrophobicContact CD2-CG2 4.34Å; L43-V63 HydrophobicContact CG-CG2 4.2Å; L43-F66 HydrophobicContact CD1-CB 3.84Å; L43-F66 HydrophobicContact CD1-CD1 4.48Å; L43-F66 HydrophobicContact CD1-CG 4.16Å; L43-L84 HydrophobicContact CB-CD1 4.06Å; L43-L84 HydrophobicContact CD1-CD2 4.12Å; L43-L84 HydrophobicContact CD2-CD1 4.42Å; L43-L84 HydrophobicContact CD2-CD2 4.25Å; L43-W87 HydrophobicContact CD2-CZ2 4.06Å
44C96.5Very high90.2Very high67 Ų6763.9 Ų63.945%0.45335%0.353SS..EExtended strand (participates in β ladder)trans-88.9114.8169.1-66.50000108.9V58 L84C44-V58 HydrophobicContact CB-CG1 3.86Å; C44-L84 WeakPolarHBondContact O-CD1 3.21Å
45V97.8Very high90.1Very high1 Ų167.4 Ų67.41%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-123.1124.7-172.1-1800000109.8L43 V58 H59 V61 F66 L82 L84L43-V45 HydrophobicContact CB-CG2 4.01Å; V45-V58 WeakPolarHBondContact O-CA 3.47Å; V45-H59 PolarHBondContact N-O 2.87Å; V45-H59 PolarHBondContact O-N 2.87Å; V45-V61 HydrophobicContact CB-CG2 4.28Å; V45-V61 HydrophobicContact CG2-CG2 3.56Å; V45-F66 HydrophobicContact CG1-CD2 4.19Å; V45-F66 HydrophobicContact CG1-CE2 3.94Å; V45-F66 HydrophobicContact CG2-CD2 3.81Å; V45-F66 HydrophobicContact CG2-CE2 4.06Å; V45-L82 HydrophobicContact CG1-CB 3.57Å; V45-L82 HydrophobicContact CG1-CD1 4.37Å; V45-L82 HydrophobicContact CG1-CG 4.37Å; V45-L84 HydrophobicContact CG2-CB 4.35Å; V45-L84 HydrophobicContact CG2-CD1 4.13Å
46S97.7Very high90.3Very high6 Ų667.1 Ų67.14%0.04237%0.373CS..EExtended strand (participates in β ladder)trans-81.8133.9176.4-61.90000111.1P57 L82 Y83 K85S46-P57 CarbonylContact C-O 3.57Å; S46-P57 WeakPolarHBondContact CA-O 3.49Å; S46-L82 CarbonylContact O-C 3.5Å; S46-L82 WeakPolarHBondContact O-CA 3.49Å; S46-Y83 PolarHBondContact N-O 3.5Å; S46-Y83 PolarHBondContact O-N 3.32Å; S46-K85 WeakPolarHBondContact OG-CE 3.43Å
47D97.4Very high90.7Very high12 Ų1260.1 Ų60.16%0.06435%0.345CS..EExtended strand (participates in β ladder)trans-91.8101.6169.3-166.3-16.5000110.9S49 V50 P57 L82D47-S49 VanDerWaalsContact CG-OG 3.3Å; D47-S49 PolarHBondContact O-N 2.92Å; D47-S49 VanDerWaalsContact OD1-CB 3.32Å; D47-S49 WeakPolarHBondContact OD1-CB 3.36Å; D47-S49 PolarHBondContact OD1-N 2.97Å; D47-S49 PolarHBondContact OD1-OG 3.18Å; D47-S49 PolarHBondContact OD2-OG 2.79Å; D47-V50 PolarHBondContact O-N 3.37Å; D47-V50 VanDerWaalsContact O-O 3.12Å; D47-P57 HydrophobicContact CB-CG 4.31Å; D47-P57 PolarHBondContact N-O 3.1Å; D47-L82 HydrophobicContact CB-CD2 3.69Å
48C97.2Very high91.3Very high8 Ų859.7 Ų59.75%0.05435%0.345CS..THydrogen-bonded Turntrans-74.9-3.6178.8-61.30000114.1I81 W135C48-I81 HydrophobicContact CB-CB 3.99Å; C48-I81 HydrophobicContact CB-CG2 3.74Å; C48-I81 VanDerWaalsContact CB-O 3.28Å; C48-I81 WeakPolarHBondContact CB-O 3.47Å; C48-I81 PolarHBondContact N-O 3.05Å; C48-W135 PolarHBondContact O-NE1 2.88Å
49S94Very high91.9Very high61 Ų6163.6 Ų63.643%0.42736%0.363SS..THydrogen-bonded Turntrans-86.5-11.9174.471.40000113.1D47D47-S49 VanDerWaalsContact CG-OG 3.3Å; D47-S49 PolarHBondContact O-N 2.92Å; D47-S49 VanDerWaalsContact OD1-CB 3.32Å; D47-S49 WeakPolarHBondContact OD1-CB 3.36Å; D47-S49 PolarHBondContact OD1-N 2.97Å; D47-S49 PolarHBondContact OD1-OG 3.18Å; D47-S49 PolarHBondContact OD2-OG 2.79Å
50V93.9Very high93.2Very high55 Ų5564.2 Ų64.233%0.33335%0.353SS..  trans-120.7140.3180-176.20000109.4D47 E52 P57D47-V50 PolarHBondContact O-N 3.37Å; D47-V50 VanDerWaalsContact O-O 3.12Å; V50-E52 HydrophobicContact CG1-CG 4.06Å; V50-P57 HydrophobicContact CB-CG 3.87Å; V50-P57 HydrophobicContact CG1-CG 3.95Å; V50-P57 WeakPolarHBondContact O-CD 3.15Å
51I92Very high94Very high98 Ų9861.5 Ų61.550%0.50332%0.32SS..  trans-122.1115.8175.3-56.1177000107.9F178I51-F178 HydrophobicContact CB-CE1 4.44Å; I51-F178 HydrophobicContact CD1-CD1 3.96Å; I51-F178 HydrophobicContact CD1-CE1 3.86Å; I51-F178 HydrophobicContact CG1-CD1 4.39Å; I51-F178 HydrophobicContact CG1-CE1 3.85Å; I51-F178 HydrophobicContact CG2-CD1 3.96Å; I51-F178 HydrophobicContact CG2-CE1 3.83Å; I51-F178 HydrophobicContact CG2-CZ 4.44Å
52E90.6Very high94.7Very high99 Ų9962.1 Ų62.146%0.46333%0.327SS..BIsolated β-bridgetrans-122126.1175-69-179.4-174.400108.4V50 N54 T55V50-E52 HydrophobicContact CG1-CG 4.06Å; E52-N54 PolarHBondContact O-N 3.13Å; E52-N54 VanDerWaalsContact O-N 3.08Å; E52-T55 PolarHBondContact N-O 3.1Å; E52-T55 WeakPolarHBondContact O-CA 3.4Å; E52-T55 WeakPolarHBondContact O-CG2 3.42Å; E52-T55 PolarHBondContact O-N 3.01Å; E52-T55 VanDerWaalsContact O-O 3.11Å
53F89.2Confident94.8Very high201 Ų20156 Ų5688%0.88230%0.301SS*.THydrogen-bonded Turntrans49.637.5177.9-52.6-75.5000115.2T55F53-T55 VanDerWaalsContact C-N 3.25Å; F53-T55 PolarHBondContact O-N 2.98Å
54N89.6Confident94.8Very high82 Ų8262.1 Ų62.144%0.43933%0.33SS..THydrogen-bonded Turntrans56.138.7-172.7-60.3-35.2000113E52 F178E52-N54 PolarHBondContact O-N 3.13Å; E52-N54 VanDerWaalsContact O-N 3.08Å; N54-F178 HydrophobicContact CB-CB 4.19Å; N54-F178 HydrophobicContact CB-CD2 3.87Å; N54-F178 HydrophobicContact CB-CG 4.21Å; N54-F178 WeakPolarHBondContact O-CD2 3.44Å; N54-F178 WeakPolarHBondContact O-CE2 3.15Å
55T92Very high94.7Very high74 Ų7464.2 Ų64.245%0.45433%0.333SS..BIsolated β-bridgetrans-138.6162.2167.1-170.70000110.8E52 F53E52-T55 PolarHBondContact N-O 3.1Å; E52-T55 WeakPolarHBondContact O-CA 3.4Å; E52-T55 WeakPolarHBondContact O-CG2 3.42Å; E52-T55 PolarHBondContact O-N 3.01Å; E52-T55 VanDerWaalsContact O-O 3.11Å; F53-T55 VanDerWaalsContact C-N 3.25Å; F53-T55 PolarHBondContact O-N 2.98Å
56H96Very high94.7Very high5 Ų564.3 Ų64.32%0.02333%0.333CS..  trans-84.5125.8164.9-60.3146.4000108.2W135 F178H56-W135 AromaticContact CE1-CD2 3.96Å; H56-W135 AromaticContact CE1-CE2 3.62Å; H56-W135 AromaticContact CE1-CZ2 3.85Å; H56-W135 AromaticContact CE1-NE1 3.87Å; H56-W135 PolarHBondContact CE1-O 3.06Å; H56-W135 AromaticContact NE2-CE2 3.3Å; H56-W135 VanDerWaalsContact NE2-CE2 3.3Å; H56-W135 AromaticContact NE2-CH2 3.87Å; H56-W135 AromaticContact NE2-CZ2 3.17Å; H56-W135 WeakPolarHBondContact NE2-CZ2 3.34Å; H56-W135 AromaticContact NE2-NE1 3.58Å; H56-F178 AromaticContact CD2-CE1 3.99Å; H56-F178 AromaticContact CD2-CZ 3.63Å; H56-F178 AromaticContact NE2-CE1 3.69Å; H56-F178 AromaticContact NE2-CZ 3.53Å
57P96.5Very high94.6Very high16 Ų1665.9 Ų65.910%0.10434%0.34CS..  trans-59.6141.9174.225.2-32.3000110S46 D47 V50S46-P57 CarbonylContact C-O 3.57Å; S46-P57 WeakPolarHBondContact CA-O 3.49Å; D47-P57 HydrophobicContact CB-CG 4.31Å; D47-P57 PolarHBondContact N-O 3.1Å; V50-P57 HydrophobicContact CB-CG 3.87Å; V50-P57 HydrophobicContact CG1-CG 3.95Å; V50-P57 WeakPolarHBondContact O-CD 3.15Å
58V96.8Very high94.5Very high86 Ų8668.2 Ų68.252%0.52136%0.358SS..EExtended strand (participates in β ladder)trans-109.6130-178.1178.70000109.2C44 V45C44-V58 HydrophobicContact CB-CG1 3.86Å; V45-V58 WeakPolarHBondContact O-CA 3.47Å
59H95.2Very high94.5Very high92 Ų9268.1 Ų68.143%0.42636%0.356SS..EExtended strand (participates in β ladder)trans-116.7137.6177.9-56.9-70.2000110.2V45 V61V45-H59 PolarHBondContact N-O 2.87Å; V45-H59 PolarHBondContact O-N 2.87Å; H59-V61 HydrophobicContact CB-CG1 4.42Å
60E97.2Very high94.6Very high120 Ų12066.1 Ų66.156%0.56134%0.339SS*.EExtended strand (participates in β ladder)trans-79.3125.2164.9-66.9-167.3140.300109.3K42 L43K42-E60 HydrophobicContact CD-CB 4.46Å; K42-E60 WeakPolarHBondContact CD-OE2 3.48Å; K42-E60 IonicContact NZ-OE2 2.64Å; K42-E60 PolarHBondContact NZ-OE2 3.31Å; L43-E60 CarbonylContact O-C 3.49Å; L43-E60 WeakPolarHBondContact O-CA 3.49Å
61V96.2Very high94.7Very high27 Ų2767.2 Ų67.216%0.16434%0.343CS..EExtended strand (participates in β ladder)trans-132.6157.5175.4-57.70000110.5L43 V45 H59 E65 F66L43-V61 HydrophobicContact CB-CG2 4.03Å; L43-V61 PolarHBondContact N-O 3.19Å; L43-V61 PolarHBondContact O-N 2.73Å; V45-V61 HydrophobicContact CB-CG2 4.28Å; V45-V61 HydrophobicContact CG2-CG2 3.56Å; H59-V61 HydrophobicContact CB-CG1 4.42Å; V61-E65 HydrophobicContact CB-CB 4.22Å; V61-F66 HydrophobicContact CG2-CB 4.16Å
62T95.5Very high95Very high54 Ų5465 Ų6533%0.33133%0.333SS..EExtended strand (participates in β ladder)trans-75.7160.916959.70000111.3E64 E65 F66T62-E64 PolarHBondContact O-N 3.05Å; T62-E65 WeakPolarHBondContact CB-OE2 3.27Å; T62-E65 PolarHBondContact N-OE2 2.84Å; T62-E65 PolarHBondContact O-N 3.39Å; T62-E65 WeakPolarHBondContact OG1-CB 3.37Å; T62-E65 VanDerWaalsContact OG1-CD 3.22Å; T62-E65 WeakPolarHBondContact OG1-CG 3.33Å; T62-E65 PolarHBondContact OG1-N 3Å; T62-E65 VanDerWaalsContact OG1-N 3.16Å; T62-E65 PolarHBondContact OG1-OE2 2.83Å; T62-F66 PolarHBondContact O-N 3.14Å
63V94.8Very high95.2Very high10 Ų1062.9 Ų62.96%0.06132%0.322CS..Hα-helixtrans-57.3-41.9172.31710000110.7F35 V38 L43 F66 I67F35-V63 HydrophobicContact CB-CG1 3.68Å; F35-V63 HydrophobicContact CD1-CG1 3.88Å; F35-V63 HydrophobicContact CD1-CG2 4.01Å; F35-V63 HydrophobicContact CD2-CG1 3.92Å; F35-V63 HydrophobicContact CE1-CG2 4.4Å; F35-V63 HydrophobicContact CG-CG1 3.56Å; V38-V63 HydrophobicContact CG1-CG2 4.47Å; L43-V63 HydrophobicContact CD1-CG2 4.05Å; L43-V63 HydrophobicContact CD2-CG2 4.34Å; L43-V63 HydrophobicContact CG-CG2 4.2Å; V63-F66 PolarHBondContact O-N 3.29Å; V63-I67 HydrophobicContact CG1-CD1 3.77Å; V63-I67 HydrophobicContact CG1-CG1 4.4Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 2.92Å
64E94.5Very high95.4Very high131 Ų13157.1 Ų57.161%0.61231%0.311SS*.Hα-helixtrans-63.2-44.1179.5-66.772.1-159.300112T62 I67 S68T62-E64 PolarHBondContact O-N 3.05Å; E64-I67 PolarHBondContact O-N 3.29Å; E64-S68 WeakPolarHBondContact O-CB 3.5Å; E64-S68 PolarHBondContact O-N 2.78Å
65E95.6Very high95.7Very high111 Ų11158.7 Ų58.752%0.51932%0.316SS..Hα-helixtrans-62.4-42.7175.2-75.7165145.600111.6V61 T62 S68 Y69V61-E65 HydrophobicContact CB-CB 4.22Å; T62-E65 WeakPolarHBondContact CB-OE2 3.27Å; T62-E65 PolarHBondContact N-OE2 2.84Å; T62-E65 PolarHBondContact O-N 3.39Å; T62-E65 WeakPolarHBondContact OG1-CB 3.37Å; T62-E65 VanDerWaalsContact OG1-CD 3.22Å; T62-E65 WeakPolarHBondContact OG1-CG 3.33Å; T62-E65 PolarHBondContact OG1-N 3Å; T62-E65 VanDerWaalsContact OG1-N 3.16Å; T62-E65 PolarHBondContact OG1-OE2 2.83Å; E65-S68 PolarHBondContact O-N 3.02Å; E65-Y69 WeakPolarHBondContact O-CB 3.35Å; E65-Y69 PolarHBondContact O-N 3.23Å
66F96.3Very high95.8Very high2 Ų258.1 Ų58.11%0.00932%0.324CS..Hα-helixtrans-65.9-41.6178-171.5-99.3000112.3F35 L43 V45 V61 T62 V63 S68 Y69 W70 L84 L129F35-F66 AromaticContact CE2-CD1 3.88Å; F35-F66 HydrophobicContact CE2-CD1 3.88Å; F35-F66 HydrophobicContact CE2-CE1 4.34Å; F35-F66 AromaticContact CZ-CD1 3.71Å; F35-F66 HydrophobicContact CZ-CD1 3.71Å; F35-F66 HydrophobicContact CZ-CE1 4.1Å; L43-F66 HydrophobicContact CD1-CB 3.84Å; L43-F66 HydrophobicContact CD1-CD1 4.48Å; L43-F66 HydrophobicContact CD1-CG 4.16Å; V45-F66 HydrophobicContact CG1-CD2 4.19Å; V45-F66 HydrophobicContact CG1-CE2 3.94Å; V45-F66 HydrophobicContact CG2-CD2 3.81Å; V45-F66 HydrophobicContact CG2-CE2 4.06Å; V61-F66 HydrophobicContact CG2-CB 4.16Å; T62-F66 PolarHBondContact O-N 3.14Å; V63-F66 PolarHBondContact O-N 3.29Å; F66-S68 VanDerWaalsContact C-N 3.35Å; F66-Y69 HydrophobicContact CD2-CD1 4.29Å; F66-Y69 HydrophobicContact CE2-CD1 4.24Å; F66-Y69 HydrophobicContact CE2-CE1 4.44Å; F66-Y69 WeakPolarHBondContact O-CB 3.15Å; F66-Y69 PolarHBondContact O-N 3.46Å; F66-W70 HydrophobicContact CE1-CE3 4.07Å; F66-W70 HydrophobicContact CZ-CE3 4.12Å; F66-W70 HydrophobicContact CZ-CZ3 4.42Å; F66-W70 WeakPolarHBondContact O-CB 3.27Å; F66-W70 PolarHBondContact O-N 2.67Å; F66-L84 HydrophobicContact CE1-CD2 4.48Å; F66-L84 HydrophobicContact CE2-CB 4.07Å; F66-L84 HydrophobicContact CZ-CB 3.87Å; F66-L129 HydrophobicContact CE1-CD2 3.74Å; F66-L129 HydrophobicContact CE1-CG 4.18Å; F66-L129 HydrophobicContact CZ-CD2 4.4Å; F66-L129 HydrophobicContact CZ-CG 4.41Å
67I95.5Very high95.8Very high39 Ų3964.9 Ų64.920%0.235%0.354CS..Hα-helixtrans-62.8-43173.8-69.5170.1000110.6L31 F35 V63 E64 W70 N71L31-I67 HydrophobicContact CB-CG1 4.15Å; L31-I67 HydrophobicContact CD1-CB 4.46Å; L31-I67 HydrophobicContact CD1-CG1 4.04Å; F35-I67 HydrophobicContact CD2-CD1 4.01Å; F35-I67 HydrophobicContact CD2-CG1 4.02Å; F35-I67 HydrophobicContact CE2-CG1 4.18Å; V63-I67 HydrophobicContact CG1-CD1 3.77Å; V63-I67 HydrophobicContact CG1-CG1 4.4Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 2.92Å; E64-I67 PolarHBondContact O-N 3.29Å; I67-W70 PolarHBondContact O-N 3.26Å; I67-N71 PolarHBondContact O-N 3.06Å; I67-N71 PolarHBondContact O-ND2 3.04Å; I67-N71 VanDerWaalsContact O-ND2 3.1Å
68S96.3Very high95.8Very high61 Ų6165 Ų6543%0.42735%0.354SS..Hα-helixtrans-61.2-46.2176.5-175.40000111.3E64 E65 F66 W70 N71 N72E64-S68 WeakPolarHBondContact O-CB 3.5Å; E64-S68 PolarHBondContact O-N 2.78Å; E65-S68 PolarHBondContact O-N 3.02Å; F66-S68 VanDerWaalsContact C-N 3.35Å; S68-W70 PolarHBondContact O-N 2.93Å; S68-N71 PolarHBondContact O-N 2.77Å; S68-N72 WeakPolarHBondContact O-CB 3.08Å; S68-N72 VanDerWaalsContact O-CG 3.24Å; S68-N72 PolarHBondContact O-N 3.02Å; S68-N72 PolarHBondContact O-ND2 3.14Å
69Y97Very high95.7Very high6 Ų667.4 Ų67.42%0.02436%0.364CS..Hα-helixtrans-54.6-52.2173155.4-99.4000111.1E65 F66 N71 N72 K73 D78 R80 L82 S131E65-Y69 WeakPolarHBondContact O-CB 3.35Å; E65-Y69 PolarHBondContact O-N 3.23Å; F66-Y69 HydrophobicContact CD2-CD1 4.29Å; F66-Y69 HydrophobicContact CE2-CD1 4.24Å; F66-Y69 HydrophobicContact CE2-CE1 4.44Å; F66-Y69 WeakPolarHBondContact O-CB 3.15Å; F66-Y69 PolarHBondContact O-N 3.46Å; Y69-N71 VanDerWaalsContact C-N 3.3Å; Y69-N71 PolarHBondContact O-N 3.3Å; Y69-N72 PolarHBondContact O-N 3.13Å; Y69-N72 VanDerWaalsContact O-N 3.13Å; Y69-K73 HydrophobicContact CE2-CB 4.11Å; Y69-K73 HydrophobicContact CE2-CD 4.43Å; Y69-K73 HydrophobicContact CE2-CG 4.39Å; Y69-K73 WeakPolarHBondContact O-CB 3.22Å; Y69-K73 PolarHBondContact O-N 3.45Å; Y69-D78 HydrophobicContact CD2-CB 4.39Å; Y69-R80 HydrophobicContact CE2-CB 4.18Å; Y69-R80 PolarHBondContact OH-O 3.29Å; Y69-L82 HydrophobicContact CD1-CB 4.01Å; Y69-L82 HydrophobicContact CD1-CD1 3.93Å; Y69-L82 HydrophobicContact CD1-CG 4.29Å; Y69-L82 HydrophobicContact CD2-CB 4.44Å; Y69-L82 HydrophobicContact CD2-CD1 3.56Å; Y69-L82 HydrophobicContact CD2-CG 3.88Å; Y69-L82 HydrophobicContact CE1-CB 3.52Å; Y69-L82 HydrophobicContact CE1-CD1 4.21Å; Y69-L82 HydrophobicContact CE1-CG 4.05Å; Y69-L82 HydrophobicContact CE2-CB 3.97Å; Y69-L82 HydrophobicContact CE2-CD1 3.84Å; Y69-L82 HydrophobicContact CE2-CG 3.59Å; Y69-L82 HydrophobicContact CG-CB 4.46Å; Y69-L82 HydrophobicContact CG-CD1 3.61Å; Y69-L82 HydrophobicContact CG-CG 4.23Å; Y69-L82 VanDerWaalsContact CZ-CB 3.49Å; Y69-L82 PolarHBondContact OH-N 3.14Å; Y69-S131 PolarHBondContact OH-OG 2.76Å; Y69-S131 VanDerWaalsContact OH-OG 3.04Å
70W96.8Very high95.8Very high20 Ų2068.2 Ų68.28%0.07636%0.363CS..Hα-helixtrans-59.6-41.7-175.4-173-82000112.2I29 L31 F66 I67 S68 A74 L129 G130 N218I29-W70 HydrophobicContact CB-CZ2 4.45Å; I29-W70 HydrophobicContact CD1-CH2 4.11Å; I29-W70 HydrophobicContact CD1-CZ2 4.13Å; L31-W70 HydrophobicContact CD1-CB 3.48Å; L31-W70 VanDerWaalsContact CD1-CB 3.48Å; L31-W70 HydrophobicContact CD1-CD2 3.79Å; L31-W70 HydrophobicContact CD1-CE3 4.38Å; L31-W70 HydrophobicContact CD1-CG 3.37Å; L31-W70 HydrophobicContact CD2-CD2 4.33Å; L31-W70 HydrophobicContact CG-CD2 4.35Å; L31-W70 HydrophobicContact CG-CG 4.24Å; F66-W70 HydrophobicContact CE1-CE3 4.07Å; F66-W70 HydrophobicContact CZ-CE3 4.12Å; F66-W70 HydrophobicContact CZ-CZ3 4.42Å; F66-W70 WeakPolarHBondContact O-CB 3.27Å; F66-W70 PolarHBondContact O-N 2.67Å; I67-W70 PolarHBondContact O-N 3.26Å; S68-W70 PolarHBondContact O-N 2.93Å; W70-A74 PolarHBondContact O-N 2.87Å; W70-L129 HydrophobicContact CH2-CD1 3.7Å; W70-L129 HydrophobicContact CH2-CG 4.41Å; W70-L129 HydrophobicContact CZ3-CD1 3.86Å; W70-L129 HydrophobicContact CZ3-CG 4.07Å; W70-G130 WeakPolarHBondContact CH2-O 2.94Å; W70-N218 HydrophobicContact CH2-CB 3.99Å; W70-N218 HydrophobicContact CZ2-CB 3.73Å
71N95.9Very high95.8Very high78 Ų7864.4 Ų64.442%0.41735%0.346SS..Hα-helixtrans-68-41.5176.4-69.5-36.1000112.3I67 S68 Y69 A74 Q75I67-N71 PolarHBondContact O-N 3.06Å; I67-N71 PolarHBondContact O-ND2 3.04Å; I67-N71 VanDerWaalsContact O-ND2 3.1Å; S68-N71 PolarHBondContact O-N 2.77Å; Y69-N71 VanDerWaalsContact C-N 3.3Å; Y69-N71 PolarHBondContact O-N 3.3Å; N71-A74 PolarHBondContact O-N 2.86Å; N71-Q75 WeakPolarHBondContact O-CG 3.26Å; N71-Q75 PolarHBondContact O-N 2.9Å
72N97.4Very high95.9Very high52 Ų5263.6 Ų63.628%0.27834%0.341SS..Hα-helixtrans-65.6-40.3176.6-72.9-20.8000111.4S68 Y69 Q75 G76 K77 D78S68-N72 WeakPolarHBondContact O-CB 3.08Å; S68-N72 VanDerWaalsContact O-CG 3.24Å; S68-N72 PolarHBondContact O-N 3.02Å; S68-N72 PolarHBondContact O-ND2 3.14Å; Y69-N72 PolarHBondContact O-N 3.13Å; Y69-N72 VanDerWaalsContact O-N 3.13Å; N72-Q75 CarbonylContact O-C 3.59Å; N72-Q75 PolarHBondContact O-N 2.98Å; N72-Q75 VanDerWaalsContact O-N 3.13Å; N72-G76 PolarHBondContact O-N 2.99Å; N72-K77 HydrophobicContact CB-CB 4.15Å; N72-K77 PolarHBondContact O-N 2.64Å; N72-D78 HydrophobicContact CB-CB 4.03Å
73K95.9Very high96Very high53 Ų5361.1 Ų61.123%0.2333%0.325CS..Hα-helixtrans-59.8-46.5175.4-175.361.1174.6-177.50111.5Y69 Q75 G76 D78 D79 R80Y69-K73 HydrophobicContact CE2-CB 4.11Å; Y69-K73 HydrophobicContact CE2-CD 4.43Å; Y69-K73 HydrophobicContact CE2-CG 4.39Å; Y69-K73 WeakPolarHBondContact O-CB 3.22Å; Y69-K73 PolarHBondContact O-N 3.45Å; K73-Q75 PolarHBondContact O-N 2.85Å; K73-G76 PolarHBondContact O-N 3.33Å; K73-D78 WeakPolarHBondContact CD-O 3.45Å; K73-D78 PolarHBondContact NZ-O 2.91Å; K73-D78 VanDerWaalsContact NZ-O 3.13Å; K73-D79 VanDerWaalsContact NZ-C 3.26Å; K73-D79 PolarHBondContact NZ-O 2.78Å; K73-R80 WeakPolarHBondContact CD-O 3.49Å; K73-R80 WeakPolarHBondContact CE-O 3.43Å; K73-R80 PolarHBondContact NZ-O 3.26Å
74A93.3Very high96.2Very high80 Ų8060.7 Ų60.766%0.66132%0.323SS*.Hα-helixtrans-61.9-26.1176.600000113.3W70 N71W70-A74 PolarHBondContact O-N 2.87Å; N71-A74 PolarHBondContact O-N 2.86Å
75Q95.2Very high96.2Very high116 Ų11656.8 Ų56.854%0.54230%0.304SS..THydrogen-bonded Turntrans-90.70.9175.9-66.2172.933.800113.6N71 N72 K73 K77N71-Q75 WeakPolarHBondContact O-CG 3.26Å; N71-Q75 PolarHBondContact O-N 2.9Å; N72-Q75 CarbonylContact O-C 3.59Å; N72-Q75 PolarHBondContact O-N 2.98Å; N72-Q75 VanDerWaalsContact O-N 3.13Å; K73-Q75 PolarHBondContact O-N 2.85Å; Q75-K77 VanDerWaalsContact C-N 3.27Å; Q75-K77 HydrophobicContact CB-CD 4.19Å; Q75-K77 HydrophobicContact CB-CG 4.14Å; Q75-K77 PolarHBondContact O-N 3.36Å
76G94.7Very high96.2Very high61 Ų6154.3 Ų54.363%0.62929%0.294SS*.THydrogen-bonded Turntrans68.721.8-175.200000114.3N72 K73N72-G76 PolarHBondContact O-N 2.99Å; K73-G76 PolarHBondContact O-N 3.33Å
77K96.2Very high96.1Very high147 Ų14755.3 Ų55.364%0.63930%0.298SS*.  trans-95.1-5.4179-66.9177.6177.5167.30113.6N72 Q75N72-K77 HydrophobicContact CB-CB 4.15Å; N72-K77 PolarHBondContact O-N 2.64Å; Q75-K77 VanDerWaalsContact C-N 3.27Å; Q75-K77 HydrophobicContact CB-CD 4.19Å; Q75-K77 HydrophobicContact CB-CG 4.14Å; Q75-K77 PolarHBondContact O-N 3.36Å
78D95.9Very high95.9Very high19 Ų1956.3 Ų56.310%0.10230%0.302CS..  trans-137.6121.9-179.9-159.4-43.2000109Y69 N72 K73 R80Y69-D78 HydrophobicContact CD2-CB 4.39Å; N72-D78 HydrophobicContact CB-CB 4.03Å; K73-D78 WeakPolarHBondContact CD-O 3.45Å; K73-D78 PolarHBondContact NZ-O 2.91Å; K73-D78 VanDerWaalsContact NZ-O 3.13Å; D78-R80 VanDerWaalsContact OD1-CB 3.27Å; D78-R80 WeakPolarHBondContact OD1-CB 3.48Å; D78-R80 WeakPolarHBondContact OD1-CG 3.23Å; D78-R80 IonicContact OD1-CZ 3.37Å; D78-R80 PolarHBondContact OD1-N 3.14Å; D78-R80 IonicContact OD1-NE 3.26Å; D78-R80 PolarHBondContact OD1-NE 2.7Å; D78-R80 IonicContact OD1-NH2 2.67Å; D78-R80 IonicContact OD2-CZ 3.96Å; D78-R80 IonicContact OD2-NE 3.87Å; D78-R80 PolarHBondContact OD2-NE 3.25Å; D78-R80 IonicContact OD2-NH2 3.83Å; D78-R80 PolarHBondContact OD2-NH2 3.08Å
79D94.9Very high95.6Very high137 Ų13754 Ų5473%0.73328%0.284SS*.  trans-91.5-11.7-177.1-69.5-37.6000112.9K73K73-D79 VanDerWaalsContact NZ-C 3.26Å; K73-D79 PolarHBondContact NZ-O 2.78Å
80R96.7Very high95.1Very high109 Ų10954 Ų5441%0.41128%0.284SS..  trans-60.3158.1178.3-61.6175.6-67.1170.7-0.3111.3Y69 K73 D78 L82Y69-R80 HydrophobicContact CE2-CB 4.18Å; Y69-R80 PolarHBondContact OH-O 3.29Å; K73-R80 WeakPolarHBondContact CD-O 3.49Å; K73-R80 WeakPolarHBondContact CE-O 3.43Å; K73-R80 PolarHBondContact NZ-O 3.26Å; D78-R80 VanDerWaalsContact OD1-CB 3.27Å; D78-R80 WeakPolarHBondContact OD1-CB 3.48Å; D78-R80 WeakPolarHBondContact OD1-CG 3.23Å; D78-R80 IonicContact OD1-CZ 3.37Å; D78-R80 PolarHBondContact OD1-N 3.14Å; D78-R80 IonicContact OD1-NE 3.26Å; D78-R80 PolarHBondContact OD1-NE 2.7Å; D78-R80 IonicContact OD1-NH2 2.67Å; D78-R80 IonicContact OD2-CZ 3.96Å; D78-R80 IonicContact OD2-NE 3.87Å; D78-R80 PolarHBondContact OD2-NE 3.25Å; D78-R80 IonicContact OD2-NH2 3.83Å; D78-R80 PolarHBondContact OD2-NH2 3.08Å; R80-L82 HydrophobicContact CB-CD2 4.02Å; R80-L82 HydrophobicContact CB-CG 4.07Å
81I97.2Very high94.5Very high40 Ų4056.9 Ų56.921%0.20530%0.297CS..  trans-123.277.9178.6-55176.9000107.4C48 T134C48-I81 HydrophobicContact CB-CB 3.99Å; C48-I81 HydrophobicContact CB-CG2 3.74Å; C48-I81 VanDerWaalsContact CB-O 3.28Å; C48-I81 WeakPolarHBondContact CB-O 3.47Å; C48-I81 PolarHBondContact N-O 3.05Å; I81-T134 HydrophobicContact CG2-CG2 3.66Å
82L97.9Very high93.5Very high9 Ų960.6 Ų60.65%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-86.7130.8-175.3-55.5-171.2000111.8V45 S46 D47 Y69 R80 T134V45-L82 HydrophobicContact CG1-CB 3.57Å; V45-L82 HydrophobicContact CG1-CD1 4.37Å; V45-L82 HydrophobicContact CG1-CG 4.37Å; S46-L82 CarbonylContact O-C 3.5Å; S46-L82 WeakPolarHBondContact O-CA 3.49Å; D47-L82 HydrophobicContact CB-CD2 3.69Å; Y69-L82 HydrophobicContact CD1-CB 4.01Å; Y69-L82 HydrophobicContact CD1-CD1 3.93Å; Y69-L82 HydrophobicContact CD1-CG 4.29Å; Y69-L82 HydrophobicContact CD2-CB 4.44Å; Y69-L82 HydrophobicContact CD2-CD1 3.56Å; Y69-L82 HydrophobicContact CD2-CG 3.88Å; Y69-L82 HydrophobicContact CE1-CB 3.52Å; Y69-L82 HydrophobicContact CE1-CD1 4.21Å; Y69-L82 HydrophobicContact CE1-CG 4.05Å; Y69-L82 HydrophobicContact CE2-CB 3.97Å; Y69-L82 HydrophobicContact CE2-CD1 3.84Å; Y69-L82 HydrophobicContact CE2-CG 3.59Å; Y69-L82 HydrophobicContact CG-CB 4.46Å; Y69-L82 HydrophobicContact CG-CD1 3.61Å; Y69-L82 HydrophobicContact CG-CG 4.23Å; Y69-L82 VanDerWaalsContact CZ-CB 3.49Å; Y69-L82 PolarHBondContact OH-N 3.14Å; R80-L82 HydrophobicContact CB-CD2 4.02Å; R80-L82 HydrophobicContact CB-CG 4.07Å; L82-T134 VanDerWaalsContact O-CG2 3.25Å; L82-T134 WeakPolarHBondContact O-CG2 3.42Å
83Y98.4Very high92.2Very high2 Ų260.1 Ų60.11%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-123.1113.8-177.5-164.3-174.8000110.9S46 K85 Y128 L129 T134 T136S46-Y83 PolarHBondContact N-O 3.5Å; S46-Y83 PolarHBondContact O-N 3.32Å; Y83-K85 HydrophobicContact CD1-CB 4.24Å; Y83-K85 HydrophobicContact CD1-CD 4.03Å; Y83-K85 HydrophobicContact CD1-CG 4.48Å; Y83-K85 HydrophobicContact CD2-CB 4.26Å; Y83-K85 HydrophobicContact CE1-CB 4.24Å; Y83-K85 HydrophobicContact CE1-CD 4.29Å; Y83-K85 HydrophobicContact CE2-CB 4.28Å; Y83-K85 HydrophobicContact CG-CB 4.26Å; Y83-K85 PolarHBondContact O-N 2.85Å; Y83-Y128 AromaticContact CZ-CD2 3.96Å; Y83-Y128 VanDerWaalsContact OH-CD2 3.29Å; Y83-Y128 WeakPolarHBondContact OH-CD2 3.18Å; Y83-L129 WeakPolarHBondContact CD2-O 3.38Å; Y83-T134 HydrophobicContact CD2-CG2 4.32Å; Y83-T134 HydrophobicContact CG-CG2 4.01Å; Y83-T136 HydrophobicContact CE1-CG2 3.91Å
84L97.9Very high90.9Very high1 Ų161.3 Ų61.31%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-82.593.9168.3178.157.3000108.2F35 L43 C44 V45 F66 W87 Y128 L129F35-L84 HydrophobicContact CE1-CD2 4.08Å; F35-L84 HydrophobicContact CZ-CD2 3.97Å; L43-L84 HydrophobicContact CB-CD1 4.06Å; L43-L84 HydrophobicContact CD1-CD2 4.12Å; L43-L84 HydrophobicContact CD2-CD1 4.42Å; L43-L84 HydrophobicContact CD2-CD2 4.25Å; C44-L84 WeakPolarHBondContact O-CD1 3.21Å; V45-L84 HydrophobicContact CG2-CB 4.35Å; V45-L84 HydrophobicContact CG2-CD1 4.13Å; F66-L84 HydrophobicContact CE1-CD2 4.48Å; F66-L84 HydrophobicContact CE2-CB 4.07Å; F66-L84 HydrophobicContact CZ-CB 3.87Å; L84-W87 HydrophobicContact CD1-CB 3.98Å; L84-W87 HydrophobicContact CD1-CD2 4.41Å; L84-W87 HydrophobicContact CD1-CG 4.19Å; L84-W87 HydrophobicContact CD2-CD2 3.95Å; L84-W87 HydrophobicContact CD2-CE3 3.37Å; L84-W87 HydrophobicContact CD2-CZ3 3.7Å; L84-W87 HydrophobicContact CG-CB 4.14Å; L84-W87 HydrophobicContact CG-CD2 4.29Å; L84-W87 HydrophobicContact CG-CE3 3.94Å; L84-W87 HydrophobicContact CG-CG 4.4Å; L84-Y128 CarbonylContact O-C 3.58Å; L84-Y128 WeakPolarHBondContact O-CA 3.4Å; L84-L129 HydrophobicContact CB-CB 4.29Å; L84-L129 WeakPolarHBondContact CB-O 3.4Å; L84-L129 HydrophobicContact CD2-CB 4.49Å; L84-L129 HydrophobicContact CD2-CD2 4.28Å; L84-L129 PolarHBondContact N-O 3.21Å; L84-L129 PolarHBondContact O-N 3.37Å
85K96.1Very high89.7Confident49 Ų4959.4 Ų59.421%0.21330%0.302CS..EExtended strand (participates in β ladder)trans-117.8164.8178.168.2179.3-166.984.30110.4S46 Y83 W87 Y128S46-K85 WeakPolarHBondContact OG-CE 3.43Å; Y83-K85 HydrophobicContact CD1-CB 4.24Å; Y83-K85 HydrophobicContact CD1-CD 4.03Å; Y83-K85 HydrophobicContact CD1-CG 4.48Å; Y83-K85 HydrophobicContact CD2-CB 4.26Å; Y83-K85 HydrophobicContact CE1-CB 4.24Å; Y83-K85 HydrophobicContact CE1-CD 4.29Å; Y83-K85 HydrophobicContact CE2-CB 4.28Å; Y83-K85 HydrophobicContact CG-CB 4.26Å; Y83-K85 PolarHBondContact O-N 2.85Å; K85-W87 PolarHBondContact O-N 3.07Å; K85-W87 VanDerWaalsContact O-N 3.13Å; K85-Y128 HydrophobicContact CB-CD1 4.01Å; K85-Y128 HydrophobicContact CB-CD2 4.25Å; K85-Y128 HydrophobicContact CB-CE1 4.07Å; K85-Y128 HydrophobicContact CB-CE2 4.3Å; K85-Y128 HydrophobicContact CB-CG 4.09Å
86D94.2Very high88.6Confident60 Ų6060.6 Ų60.632%0.32131%0.312SS..EExtended strand (participates in β ladder)trans57.226.5-179.2-49.9-45.4000112.5H88 F126 Y128D86-H88 PolarHBondContact O-CD2 2.91Å; D86-H88 PolarHBondContact O-N 3.37Å; D86-F126 HydrophobicContact CB-CD1 4.32Å; D86-Y128 VanDerWaalsContact OD1-CE1 3.27Å; D86-Y128 WeakPolarHBondContact OD1-CE1 3.35Å; D86-Y128 VanDerWaalsContact OD1-CZ 3.24Å; D86-Y128 PolarHBondContact OD1-OH 2.64Å
87W94.3Very high87.9Confident22 Ų2261.1 Ų61.18%0.08331%0.306CS..EExtended strand (participates in β ladder)trans-83.3116-177.7-179.529000110.3V34 F35 V38 L43 L84 K85 Y89 L127V34-W87 HydrophobicContact CG1-CZ3 4.18Å; F35-W87 AromaticContact CD1-CH2 3.44Å; F35-W87 HydrophobicContact CD1-CH2 3.44Å; F35-W87 VanDerWaalsContact CD1-CH2 3.44Å; F35-W87 HydrophobicContact CD1-CZ2 4.25Å; F35-W87 HydrophobicContact CD1-CZ3 4.14Å; F35-W87 AromaticContact CE1-CH2 3.24Å; F35-W87 HydrophobicContact CE1-CH2 3.24Å; F35-W87 HydrophobicContact CE1-CZ2 4.08Å; F35-W87 AromaticContact CE1-CZ3 3.55Å; F35-W87 HydrophobicContact CE1-CZ3 3.55Å; F35-W87 HydrophobicContact CZ-CH2 4.33Å; F35-W87 HydrophobicContact CZ-CZ3 4.26Å; V38-W87 HydrophobicContact CB-CH2 4.41Å; V38-W87 HydrophobicContact CB-CZ2 4.1Å; V38-W87 HydrophobicContact CG1-CH2 4.24Å; V38-W87 HydrophobicContact CG1-CZ2 3.55Å; V38-W87 HydrophobicContact CG2-CH2 3.9Å; V38-W87 HydrophobicContact CG2-CZ2 3.66Å; L43-W87 HydrophobicContact CD2-CZ2 4.06Å; L84-W87 HydrophobicContact CD1-CB 3.98Å; L84-W87 HydrophobicContact CD1-CD2 4.41Å; L84-W87 HydrophobicContact CD1-CG 4.19Å; L84-W87 HydrophobicContact CD2-CD2 3.95Å; L84-W87 HydrophobicContact CD2-CE3 3.37Å; L84-W87 HydrophobicContact CD2-CZ3 3.7Å; L84-W87 HydrophobicContact CG-CB 4.14Å; L84-W87 HydrophobicContact CG-CD2 4.29Å; L84-W87 HydrophobicContact CG-CE3 3.94Å; L84-W87 HydrophobicContact CG-CG 4.4Å; K85-W87 PolarHBondContact O-N 3.07Å; K85-W87 VanDerWaalsContact O-N 3.13Å; W87-Y89 HydrophobicContact CD2-CD2 4.29Å; W87-Y89 HydrophobicContact CE3-CD2 4.04Å; W87-Y89 AromaticContact CH2-CD2 3.33Å; W87-Y89 HydrophobicContact CH2-CD2 3.33Å; W87-Y89 AromaticContact CH2-CE2 3.72Å; W87-Y89 HydrophobicContact CH2-CE2 3.72Å; W87-Y89 AromaticContact CZ2-CD2 3.58Å; W87-Y89 HydrophobicContact CZ2-CD2 3.58Å; W87-Y89 HydrophobicContact CZ2-CE2 4.23Å; W87-Y89 AromaticContact CZ3-CD2 3.58Å; W87-Y89 HydrophobicContact CZ3-CD2 3.58Å; W87-Y89 HydrophobicContact CZ3-CE2 4.15Å; W87-Y89 PolarHBondContact O-N 3.34Å; W87-L127 WeakPolarHBondContact CB-O 3.25Å; W87-L127 HydrophobicContact CE3-CB 4.27Å; W87-L127 HydrophobicContact CE3-CD2 3.66Å; W87-L127 HydrophobicContact CE3-CG 4.41Å; W87-L127 HydrophobicContact CZ3-CD2 3.64Å; W87-L127 PolarHBondContact N-O 2.96Å; W87-L127 PolarHBondContact O-N 3.14Å
88H91.8Very high87.4Confident61 Ų6155.3 Ų55.328%0.28228%0.281SS..  trans-75.856.8179.6-55.8-100.8000113.4D86 F90 K91 D122 D123 F126D86-H88 PolarHBondContact O-CD2 2.91Å; D86-H88 PolarHBondContact O-N 3.37Å; H88-F90 VanDerWaalsContact C-N 3.26Å; H88-F90 PolarHBondContact O-N 3.25Å; H88-K91 HydrophobicContact CB-CD 3.28Å; H88-K91 HydrophobicContact CB-CG 4Å; H88-K91 PolarHBondContact O-N 3.17Å; H88-D122 IonicContact CE1-OD1 3.85Å; H88-D122 PolarHBondContact CE1-OD1 3.5Å; H88-D122 IonicContact ND1-OD1 3.69Å; H88-D122 IonicContact NE2-OD1 3.77Å; H88-D123 PolarHBondContact CE1-O 3.19Å; H88-D123 IonicContact CE1-OD1 2.89Å; H88-D123 IonicContact CG-OD1 3.88Å; H88-D123 PolarHBondContact ND1-O 3.02Å; H88-D123 IonicContact ND1-OD1 2.77Å; H88-D123 PolarHBondContact ND1-OD1 2.87Å; H88-F126 AromaticContact CE1-CE1 3.54Å; H88-F126 AromaticContact ND1-CE1 3.89Å
89Y90.3Very high87.2Confident13 Ų1354.7 Ų54.75%0.05128%0.277CS..G310 helixtrans-55.3-37.9-173-179.6-88.2000113.4W22 V34 V38 W87 K91 W98 L127W22-Y89 HydrophobicContact CH2-CE1 4.43Å; W22-Y89 HydrophobicContact CZ2-CD1 4.32Å; W22-Y89 AromaticContact CZ2-CE1 3.69Å; W22-Y89 HydrophobicContact CZ2-CE1 3.69Å; W22-Y89 AromaticContact CZ2-CZ 3.84Å; V34-Y89 HydrophobicContact CG1-CE2 4.43Å; V34-Y89 WeakPolarHBondContact O-CE2 3.39Å; V34-Y89 PolarHBondContact O-OH 3.25Å; V34-Y89 VanDerWaalsContact O-OH 3.1Å; V38-Y89 HydrophobicContact CG2-CD2 4.06Å; V38-Y89 HydrophobicContact CG2-CE2 3.64Å; W87-Y89 HydrophobicContact CD2-CD2 4.29Å; W87-Y89 HydrophobicContact CE3-CD2 4.04Å; W87-Y89 AromaticContact CH2-CD2 3.33Å; W87-Y89 HydrophobicContact CH2-CD2 3.33Å; W87-Y89 AromaticContact CH2-CE2 3.72Å; W87-Y89 HydrophobicContact CH2-CE2 3.72Å; W87-Y89 AromaticContact CZ2-CD2 3.58Å; W87-Y89 HydrophobicContact CZ2-CD2 3.58Å; W87-Y89 HydrophobicContact CZ2-CE2 4.23Å; W87-Y89 AromaticContact CZ3-CD2 3.58Å; W87-Y89 HydrophobicContact CZ3-CD2 3.58Å; W87-Y89 HydrophobicContact CZ3-CE2 4.15Å; W87-Y89 PolarHBondContact O-N 3.34Å; Y89-K91 PolarHBondContact O-N 3.13Å; Y89-W98 HydrophobicContact CE1-CD2 4.33Å; Y89-W98 AromaticContact CE1-CE2 3.85Å; Y89-W98 AromaticContact CE1-CZ2 3.95Å; Y89-W98 HydrophobicContact CE1-CZ2 3.95Å; Y89-W98 WeakPolarHBondContact OH-CH2 3.44Å; Y89-W98 WeakPolarHBondContact OH-CZ2 3.41Å; Y89-L127 HydrophobicContact CD2-CD2 3.68Å; Y89-L127 HydrophobicContact CE2-CD2 4.27Å; Y89-L127 HydrophobicContact CG-CB 4.35Å; Y89-L127 HydrophobicContact CG-CD2 3.86Å
90F87Confident87.1Confident6 Ų651.5 Ų51.53%0.02627%0.265CS..G310 helixtrans-81-13.2-169.1-57.1-69000114W22 H88 K92 S93 W98 F99 L127 I222W22-F90 HydrophobicContact CH2-CE1 4.3Å; W22-F90 HydrophobicContact CH2-CZ 4.11Å; H88-F90 VanDerWaalsContact C-N 3.26Å; H88-F90 PolarHBondContact O-N 3.25Å; F90-K92 VanDerWaalsContact C-N 3.26Å; F90-K92 PolarHBondContact O-N 3.28Å; F90-K92 VanDerWaalsContact O-N 3.14Å; F90-S93 CarbonylContact O-C 3.58Å; F90-S93 PolarHBondContact O-N 2.7Å; F90-S93 PolarHBondContact O-OG 3.13Å; F90-W98 HydrophobicContact CD1-CB 4.2Å; F90-W98 AromaticContact CD1-CD1 3.61Å; F90-W98 HydrophobicContact CD1-CG 4.04Å; F90-W98 HydrophobicContact CE1-CB 3.8Å; F90-W98 AromaticContact CE1-CD1 3.92Å; F90-W98 AromaticContact CE1-CG 3.87Å; F90-W98 HydrophobicContact CE1-CG 3.87Å; F90-F99 HydrophobicContact CD1-CE1 4.08Å; F90-F99 HydrophobicContact CD2-CE1 4.17Å; F90-F99 HydrophobicContact CE1-CD1 4.12Å; F90-F99 AromaticContact CE1-CE1 3.82Å; F90-F99 HydrophobicContact CE1-CE1 3.82Å; F90-F99 AromaticContact CE2-CE1 3.91Å; F90-F99 HydrophobicContact CE2-CE1 3.91Å; F90-F99 HydrophobicContact CG-CE1 4.27Å; F90-F99 HydrophobicContact CZ-CD1 4.19Å; F90-F99 AromaticContact CZ-CE1 3.74Å; F90-F99 HydrophobicContact CZ-CE1 3.74Å; F90-L127 HydrophobicContact CZ-CD1 4.42Å; F90-I222 HydrophobicContact CE1-CD1 4.41Å; F90-I222 HydrophobicContact CE2-CD1 4.29Å; F90-I222 HydrophobicContact CE2-CG1 4.2Å; F90-I222 HydrophobicContact CE2-CG2 3.97Å; F90-I222 HydrophobicContact CZ-CD1 3.59Å; F90-I222 HydrophobicContact CZ-CG1 3.83Å; F90-I222 HydrophobicContact CZ-CG2 4.33Å
91K83.5Confident86.8Confident79 Ų7949.1 Ų49.134%0.34326%0.26SS..G310 helixtrans-58.8-31.5-173.8-73.3171.674.1177.80114.8H88 Y89 S121 D123H88-K91 HydrophobicContact CB-CD 3.28Å; H88-K91 HydrophobicContact CB-CG 4Å; H88-K91 PolarHBondContact O-N 3.17Å; Y89-K91 PolarHBondContact O-N 3.13Å; K91-S121 VanDerWaalsContact CE-C 3.46Å; K91-S121 VanDerWaalsContact CE-O 3.32Å; K91-S121 WeakPolarHBondContact CE-O 3.17Å; K91-S121 WeakPolarHBondContact CE-OG 3.23Å; K91-S121 VanDerWaalsContact NZ-C 3.26Å; K91-S121 PolarHBondContact NZ-O 3.17Å; K91-D123 WeakPolarHBondContact CG-OD2 3.34Å
92K75.5Confident86.6Confident157 Ų15747.9 Ų47.968%0.68326%0.255SS*.G310 helixtrans-91.2-0.1-178.8-65.5-171.1-176.8176.10114.2E41 F90E41-K92 VanDerWaalsContact CD-NZ 3.35Å; E41-K92 VanDerWaalsContact OE1-CD 3.22Å; E41-K92 WeakPolarHBondContact OE1-CD 3.3Å; E41-K92 WeakPolarHBondContact OE1-CE 3.39Å; E41-K92 IonicContact OE1-NZ 2.93Å; E41-K92 PolarHBondContact OE1-NZ 2.92Å; F90-K92 VanDerWaalsContact C-N 3.26Å; F90-K92 PolarHBondContact O-N 3.28Å; F90-K92 VanDerWaalsContact O-N 3.14Å
93S70.4Confident86.2Confident42 Ų4253.3 Ų53.329%0.29428%0.28SS..SBendtrans-131.7155.9-177.161.60000110.6F90 E95 W98F90-S93 CarbonylContact O-C 3.58Å; F90-S93 PolarHBondContact O-N 2.7Å; F90-S93 PolarHBondContact O-OG 3.13Å; S93-E95 PolarHBondContact O-N 3.08Å; S93-E95 VanDerWaalsContact O-N 3.08Å; S93-W98 PolarHBondContact OG-NE1 2.78Å
94S68.5Low85.9Confident78 Ų7858.9 Ų58.955%0.54530%0.302SS..  trans-65.1113.6164.541.60000108.7N96 S97S94-N96 PolarHBondContact O-N 3.5Å; S94-N96 VanDerWaalsContact O-N 3.13Å; S94-S97 WeakPolarHBondContact O-CB 3.38Å; S94-S97 PolarHBondContact O-N 3.44Å; S94-S97 PolarHBondContact O-OG 3.35Å; S94-S97 PolarHBondContact OG-OG 3.36Å
95E66.7Low85.7Confident39 Ų3959 Ų5918%0.18230%0.303CS..G310 helixtrans-47.4-40.6177.1-177-176177.300112.5S93 S97 W98 F99 K125 H224S93-E95 PolarHBondContact O-N 3.08Å; S93-E95 VanDerWaalsContact O-N 3.08Å; E95-S97 PolarHBondContact O-N 2.69Å; E95-W98 WeakPolarHBondContact O-CB 3.32Å; E95-W98 PolarHBondContact O-N 3.23Å; E95-F99 HydrophobicContact CG-CD1 4.36Å; E95-F99 HydrophobicContact CG-CE1 3.59Å; E95-F99 HydrophobicContact CG-CE2 4.19Å; E95-F99 HydrophobicContact CG-CZ 3.48Å; E95-F99 VanDerWaalsContact CG-CZ 3.48Å; E95-F99 PolarHBondContact O-N 2.88Å; E95-F99 WeakPolarHBondContact OE1-CE2 3.45Å; E95-F99 WeakPolarHBondContact OE1-CZ 3.38Å; E95-K125 IonicContact OE1-NZ 2.62Å; E95-K125 IonicContact OE2-NZ 2.78Å; E95-K125 PolarHBondContact OE2-NZ 3.3Å; E95-H224 IonicContact OE1-CE1 3.54Å; E95-H224 PolarHBondContact OE1-CE1 3.13Å; E95-H224 VanDerWaalsContact OE1-CE1 3.31Å
96N71.8Confident85.4Confident141 Ų14159.8 Ų59.875%0.75431%0.314SS*.G310 helixtrans-58.6-15.8176.7-67.2-24.2000114.2S94 W98S94-N96 PolarHBondContact O-N 3.5Å; S94-N96 VanDerWaalsContact O-N 3.13Å; N96-W98 VanDerWaalsContact C-N 3.28Å
97S80.2Confident85.4Confident72 Ų7257.5 Ų57.550%0.50330%0.302SS..G310 helixtrans-75.1-19.9172.5-590000112.8S17 S94 E95S17-S97 PolarHBondContact OG-O 3.43Å; S17-S97 VanDerWaalsContact OG-O 3.05Å; S94-S97 WeakPolarHBondContact O-CB 3.38Å; S94-S97 PolarHBondContact O-N 3.44Å; S94-S97 PolarHBondContact O-OG 3.35Å; S94-S97 PolarHBondContact OG-OG 3.36Å; E95-S97 PolarHBondContact O-N 2.69Å
98W87.1Confident85.5Confident26 Ų2656.7 Ų56.710%0.09830%0.3CS..THydrogen-bonded Turntrans-106.6-48.5-172.7-64.1111.1000112.3S17 V18 W22 N37 Y89 F90 S93 E95 N96S17-W98 PolarHBondContact N-O 3.07Å; S17-W98 VanDerWaalsContact OG-CA 3.27Å; S17-W98 WeakPolarHBondContact OG-CA 3.45Å; S17-W98 PolarHBondContact OG-O 3.42Å; V18-W98 HydrophobicContact CG1-CB 3.74Å; V18-W98 HydrophobicContact CG1-CD2 4.3Å; V18-W98 HydrophobicContact CG1-CE3 3.77Å; V18-W98 HydrophobicContact CG1-CG 4.35Å; V18-W98 PolarHBondContact N-O 2.86Å; W22-W98 HydrophobicContact CZ2-CE3 4.25Å; W22-W98 HydrophobicContact CZ2-CZ3 4.47Å; W22-W98 AromaticContact NE1-CZ3 3.7Å; N37-W98 WeakPolarHBondContact ND2-CH2 3.4Å; N37-W98 VanDerWaalsContact ND2-CZ2 3.3Å; N37-W98 WeakPolarHBondContact ND2-CZ2 3.47Å; Y89-W98 HydrophobicContact CE1-CD2 4.33Å; Y89-W98 AromaticContact CE1-CE2 3.85Å; Y89-W98 AromaticContact CE1-CZ2 3.95Å; Y89-W98 HydrophobicContact CE1-CZ2 3.95Å; Y89-W98 WeakPolarHBondContact OH-CH2 3.44Å; Y89-W98 WeakPolarHBondContact OH-CZ2 3.41Å; F90-W98 HydrophobicContact CD1-CB 4.2Å; F90-W98 AromaticContact CD1-CD1 3.61Å; F90-W98 HydrophobicContact CD1-CG 4.04Å; F90-W98 HydrophobicContact CE1-CB 3.8Å; F90-W98 AromaticContact CE1-CD1 3.92Å; F90-W98 AromaticContact CE1-CG 3.87Å; F90-W98 HydrophobicContact CE1-CG 3.87Å; S93-W98 PolarHBondContact OG-NE1 2.78Å; E95-W98 WeakPolarHBondContact O-CB 3.32Å; E95-W98 PolarHBondContact O-N 3.23Å; N96-W98 VanDerWaalsContact C-N 3.28Å
99F91.9Very high85.8Confident6 Ų653.8 Ų53.83%0.02629%0.286CS..  trans-151.7167.617966.7-82.5000111.5W16 F90 E95 W148 I222 H224W16-F99 HydrophobicContact CB-CB 4.01Å; W16-F99 HydrophobicContact CD2-CB 3.35Å; W16-F99 HydrophobicContact CD2-CG 4.28Å; W16-F99 HydrophobicContact CE3-CB 3.63Å; W16-F99 HydrophobicContact CE3-CG 4.23Å; W16-F99 HydrophobicContact CG-CB 3.53Å; W16-F99 HydrophobicContact CH2-CD2 4.07Å; W16-F99 HydrophobicContact CH2-CG 4.48Å; W16-F99 HydrophobicContact CZ2-CB 4.3Å; W16-F99 HydrophobicContact CZ2-CD2 4.02Å; W16-F99 HydrophobicContact CZ3-CB 4.19Å; W16-F99 HydrophobicContact CZ3-CD2 4.36Å; W16-F99 HydrophobicContact CZ3-CG 4.32Å; F90-F99 HydrophobicContact CD1-CE1 4.08Å; F90-F99 HydrophobicContact CD2-CE1 4.17Å; F90-F99 HydrophobicContact CE1-CD1 4.12Å; F90-F99 AromaticContact CE1-CE1 3.82Å; F90-F99 HydrophobicContact CE1-CE1 3.82Å; F90-F99 AromaticContact CE2-CE1 3.91Å; F90-F99 HydrophobicContact CE2-CE1 3.91Å; F90-F99 HydrophobicContact CG-CE1 4.27Å; F90-F99 HydrophobicContact CZ-CD1 4.19Å; F90-F99 AromaticContact CZ-CE1 3.74Å; F90-F99 HydrophobicContact CZ-CE1 3.74Å; E95-F99 HydrophobicContact CG-CD1 4.36Å; E95-F99 HydrophobicContact CG-CE1 3.59Å; E95-F99 HydrophobicContact CG-CE2 4.19Å; E95-F99 HydrophobicContact CG-CZ 3.48Å; E95-F99 VanDerWaalsContact CG-CZ 3.48Å; E95-F99 PolarHBondContact O-N 2.88Å; E95-F99 WeakPolarHBondContact OE1-CE2 3.45Å; E95-F99 WeakPolarHBondContact OE1-CZ 3.38Å; F99-W148 HydrophobicContact CE2-CH2 4.07Å; F99-W148 HydrophobicContact CE2-CZ2 4.45Å; F99-I222 HydrophobicContact CD1-CD1 3.62Å; F99-I222 HydrophobicContact CE1-CD1 3.96Å; F99-I222 HydrophobicContact CE1-CG2 4.12Å; F99-I222 HydrophobicContact CG-CD1 4.18Å; F99-I222 HydrophobicContact CZ-CG2 4.08Å; F99-H224 AromaticContact CE2-CE1 3.86Å; F99-H224 AromaticContact CE2-NE2 3.93Å; F99-H224 AromaticContact CZ-CE1 3.52Å; F99-H224 AromaticContact CZ-NE2 3.34Å; F99-H224 VanDerWaalsContact CZ-NE2 3.34Å; F99-H224 WeakPolarHBondContact CZ-NE2 3.28Å
100S90.8Very high86.1Confident70 Ų7053.1 Ų53.149%0.4928%0.284SS..  trans-111.8125.2171.859.30000109.2W16 P102W16-S100 PolarHBondContact NE1-O 3.39Å; W16-S100 VanDerWaalsContact NE1-O 3.13Å; S100-P102 WeakPolarHBondContact O-CD 3.32Å
101L91.1Very high86.5Confident59 Ų5953 Ų5331%0.30928%0.284SS..  trans-57.9121.9176.7-172.966.7000110.1F105 W148L101-F105 HydrophobicContact CD1-CB 3.95Å; L101-F105 HydrophobicContact CG-CB 4.24Å; L101-W148 HydrophobicContact CD1-CZ2 3.83Å
102P92.5Very high87Confident14 Ų1451.4 Ų51.49%0.09128%0.277CS..  trans-59.7148.2177.6-25.735.7000112.4I12 W16 S100 Y104 F105 S106I12-P102 HydrophobicContact CD1-CB 3.85Å; I12-P102 HydrophobicContact CD1-CG 3.93Å; I12-P102 HydrophobicContact CG1-CB 3.93Å; I12-P102 HydrophobicContact CG1-CG 3.69Å; W16-P102 HydrophobicContact CZ2-CG 3.88Å; S100-P102 WeakPolarHBondContact O-CD 3.32Å; P102-Y104 HydrophobicContact CB-CD2 4.29Å; P102-Y104 PolarHBondContact O-N 2.85Å; P102-F105 HydrophobicContact CB-CB 4.48Å; P102-F105 HydrophobicContact CB-CD2 3.8Å; P102-F105 HydrophobicContact CB-CE2 4.26Å; P102-F105 HydrophobicContact CB-CG 4.25Å; P102-F105 HydrophobicContact CG-CD2 3.68Å; P102-F105 HydrophobicContact CG-CE2 4.02Å; P102-F105 WeakPolarHBondContact O-CB 3.38Å; P102-F105 PolarHBondContact O-N 2.88Å; P102-S106 PolarHBondContact O-N 2.8Å
103E90.6Very high88Confident122 Ų12244 Ų4457%0.5725%0.245SC*.G310 helixtrans-60.6-32.2-17764.7177174.200113.5F105 S106E103-F105 PolarHBondContact O-N 2.78Å; E103-S106 WeakPolarHBondContact O-CB 3.25Å; E103-S106 PolarHBondContact O-N 2.58Å; E103-S106 PolarHBondContact O-OG 3.13Å
104Y91.5Very high89.1Confident120 Ų12042.3 Ų42.347%0.47123%0.232SC..G310 helixtrans-62.2-17.5178.4-47.8-67.2000113.1F8 W11 I12 P102F8-Y104 HydrophobicContact CD1-CD2 4.28Å; F8-Y104 HydrophobicContact CD1-CE2 4.4Å; F8-Y104 HydrophobicContact CE1-CD1 4.45Å; F8-Y104 AromaticContact CE1-CD2 3.57Å; F8-Y104 HydrophobicContact CE1-CD2 3.57Å; F8-Y104 AromaticContact CE1-CE2 3.91Å; F8-Y104 HydrophobicContact CE1-CE2 3.91Å; F8-Y104 AromaticContact CE1-CG 3.88Å; F8-Y104 HydrophobicContact CE1-CG 3.88Å; F8-Y104 HydrophobicContact CZ-CD2 4.04Å; F8-Y104 HydrophobicContact CZ-CG 4.01Å; W11-Y104 AromaticContact CH2-CE2 3.6Å; W11-Y104 HydrophobicContact CH2-CE2 3.6Å; W11-Y104 AromaticContact CZ3-CE2 3.99Å; W11-Y104 HydrophobicContact CZ3-CE2 3.99Å; I12-Y104 HydrophobicContact CD1-CD2 4.07Å; I12-Y104 HydrophobicContact CD1-CE2 4.39Å; P102-Y104 HydrophobicContact CB-CD2 4.29Å; P102-Y104 PolarHBondContact O-N 2.85Å
105F93.4Very high90.2Very high4 Ų441.8 Ų41.82%0.01823%0.229CC..G310 helixtrans-116.15.1-168.4-65.5-8.9000111.5F8 I12 L101 P102 E103 W148 F204 W226F8-F105 HydrophobicContact CD2-CE1 4.45Å; F8-F105 AromaticContact CD2-CZ 3.85Å; F8-F105 HydrophobicContact CD2-CZ 3.85Å; F8-F105 AromaticContact CE2-CE1 3.66Å; F8-F105 HydrophobicContact CE2-CE1 3.66Å; F8-F105 AromaticContact CE2-CZ 3.52Å; F8-F105 HydrophobicContact CE2-CZ 3.52Å; F8-F105 HydrophobicContact CZ-CE1 4.06Å; F8-F105 HydrophobicContact CZ-CZ 4.2Å; I12-F105 HydrophobicContact CD1-CE2 4.23Å; I12-F105 HydrophobicContact CD1-CZ 4.4Å; L101-F105 HydrophobicContact CD1-CB 3.95Å; L101-F105 HydrophobicContact CG-CB 4.24Å; P102-F105 HydrophobicContact CB-CB 4.48Å; P102-F105 HydrophobicContact CB-CD2 3.8Å; P102-F105 HydrophobicContact CB-CE2 4.26Å; P102-F105 HydrophobicContact CB-CG 4.25Å; P102-F105 HydrophobicContact CG-CD2 3.68Å; P102-F105 HydrophobicContact CG-CE2 4.02Å; P102-F105 WeakPolarHBondContact O-CB 3.38Å; P102-F105 PolarHBondContact O-N 2.88Å; E103-F105 PolarHBondContact O-N 2.78Å; F105-W148 HydrophobicContact CD2-CB 4.38Å; F105-W148 AromaticContact CD2-CD2 3.96Å; F105-W148 HydrophobicContact CD2-CD2 3.96Å; F105-W148 AromaticContact CD2-CG 3.94Å; F105-W148 HydrophobicContact CD2-CG 3.94Å; F105-W148 HydrophobicContact CE1-CB 4.41Å; F105-W148 HydrophobicContact CE2-CB 3.92Å; F105-W148 AromaticContact CE2-CD2 3.99Å; F105-W148 HydrophobicContact CE2-CD2 3.99Å; F105-W148 HydrophobicContact CE2-CE3 4.27Å; F105-W148 AromaticContact CE2-CG 3.9Å; F105-W148 HydrophobicContact CE2-CG 3.9Å; F105-W148 HydrophobicContact CG-CG 4.49Å; F105-W148 HydrophobicContact CZ-CB 3.94Å; F105-W148 HydrophobicContact CZ-CG 4.37Å; F105-F204 HydrophobicContact CE1-CD2 4.45Å; F105-W226 HydrophobicContact CB-CE3 4.29Å; F105-W226 HydrophobicContact CB-CH2 3.26Å; F105-W226 HydrophobicContact CB-CZ2 4.08Å; F105-W226 HydrophobicContact CB-CZ3 3.22Å; F105-W226 AromaticContact CD1-CH2 3.09Å; F105-W226 HydrophobicContact CD1-CH2 3.09Å; F105-W226 AromaticContact CD1-CZ2 3.58Å; F105-W226 HydrophobicContact CD1-CZ2 3.58Å; F105-W226 HydrophobicContact CD1-CZ3 4.02Å; F105-W226 AromaticContact CD2-CH2 3.81Å; F105-W226 HydrophobicContact CD2-CH2 3.81Å; F105-W226 HydrophobicContact CD2-CZ3 4.09Å; F105-W226 AromaticContact CE1-CH2 3.84Å; F105-W226 HydrophobicContact CE1-CH2 3.84Å; F105-W226 HydrophobicContact CE1-CZ2 4.31Å; F105-W226 HydrophobicContact CE2-CH2 4.47Å; F105-W226 AromaticContact CG-CH2 3.08Å; F105-W226 HydrophobicContact CG-CH2 3.08Å; F105-W226 AromaticContact CG-CZ2 3.98Å; F105-W226 HydrophobicContact CG-CZ2 3.98Å; F105-W226 AromaticContact CG-CZ3 3.53Å; F105-W226 HydrophobicContact CG-CZ3 3.53Å; F105-W226 HydrophobicContact CZ-CH2 4.48Å
106S90Very high91.4Very high65 Ų6540.1 Ų40.146%0.45522%0.221SC..  trans-84.3-25.7-162.461.10000116.3P102 E103 D108P102-S106 PolarHBondContact O-N 2.8Å; E103-S106 WeakPolarHBondContact O-CB 3.25Å; E103-S106 PolarHBondContact O-N 2.58Å; E103-S106 PolarHBondContact O-OG 3.13Å; S106-D108 PolarHBondContact O-N 2.9Å
107S94.9Very high92.3Very high11 Ų1134.4 Ų34.48%0.07719%0.189CC..  trans-83.893.4170-179.40000108.1W109 N228 D367S107-W109 PolarHBondContact OG-NE1 2.81Å; S107-N228 WeakPolarHBondContact O-CB 3.34Å; S107-N228 PolarHBondContact O-ND2 3.26Å; S107-N228 VanDerWaalsContact O-ND2 3.09Å; S107-N228 WeakPolarHBondContact OG-CB 3.44Å; S107-D367 PolarHBondContact OG-OD1 2.96Å; S107-D367 PolarHBondContact OG-OD2 3.44Å
108D96.2Very high92.7Very high5 Ų534.1 Ų34.13%0.02718%0.182CC..  trans-124.279.5-172.1-175.8-17.8000109S106 L110 N111 E112 W226S106-D108 PolarHBondContact O-N 2.9Å; D108-L110 PolarHBondContact O-N 2.82Å; D108-L110 VanDerWaalsContact O-N 3.15Å; D108-L110 PolarHBondContact OD1-N 3.4Å; D108-N111 VanDerWaalsContact CG-ND2 3.33Å; D108-N111 PolarHBondContact O-N 2.88Å; D108-N111 WeakPolarHBondContact OD1-CB 3.44Å; D108-N111 PolarHBondContact OD1-N 2.79Å; D108-N111 PolarHBondContact OD1-ND2 2.87Å; D108-N111 VanDerWaalsContact OD1-ND2 3.14Å; D108-N111 WeakPolarHBondContact OD2-CB 3.45Å; D108-N111 PolarHBondContact OD2-ND2 2.86Å; D108-E112 PolarHBondContact N-OE1 2.94Å; D108-E112 VanDerWaalsContact O-CB 3.24Å; D108-E112 WeakPolarHBondContact O-CB 3.43Å; D108-E112 WeakPolarHBondContact O-CG 3.29Å; D108-E112 PolarHBondContact O-N 2.76Å; D108-W226 HydrophobicContact CB-CB 4.01Å; D108-W226 HydrophobicContact CB-CG 4.41Å; D108-W226 WeakPolarHBondContact OD1-CB 3.13Å
109W98Very high92.7Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-60.1-32.2-174-65.110.9000112.1S107 F113 F227 N228 A229 V232 I281 L282 I285 D367 V371S107-W109 PolarHBondContact OG-NE1 2.81Å; W109-F113 WeakPolarHBondContact O-CB 3.45Å; W109-F113 PolarHBondContact O-N 2.83Å; W109-F227 HydrophobicContact CB-CD2 4.03Å; W109-F227 HydrophobicContact CB-CE2 3.93Å; W109-F227 WeakPolarHBondContact CB-O 3.02Å; W109-F227 HydrophobicContact CE3-CD2 4.26Å; W109-F227 HydrophobicContact CE3-CE2 4.2Å; W109-F227 PolarHBondContact N-O 3.4Å; W109-N228 HydrophobicContact CD2-CB 4.44Å; W109-N228 HydrophobicContact CG-CB 4.29Å; W109-A229 HydrophobicContact CH2-CB 4.07Å; W109-A229 HydrophobicContact CZ2-CB 3.64Å; W109-V232 HydrophobicContact CE3-CB 4.36Å; W109-V232 HydrophobicContact CE3-CG2 4.17Å; W109-V232 HydrophobicContact CH2-CG1 4.17Å; W109-V232 HydrophobicContact CZ3-CB 3.91Å; W109-V232 HydrophobicContact CZ3-CG1 3.92Å; W109-V232 HydrophobicContact CZ3-CG2 3.8Å; W109-I281 HydrophobicContact CB-CG2 4.32Å; W109-L282 HydrophobicContact CZ3-CD2 4.46Å; W109-I285 HydrophobicContact CB-CD1 3.65Å; W109-I285 HydrophobicContact CB-CG1 3.86Å; W109-I285 HydrophobicContact CD2-CB 4.31Å; W109-I285 HydrophobicContact CD2-CD1 3.97Å; W109-I285 HydrophobicContact CD2-CG1 3.67Å; W109-I285 HydrophobicContact CD2-CG2 3.85Å; W109-I285 HydrophobicContact CE3-CB 4.35Å; W109-I285 HydrophobicContact CE3-CG1 3.88Å; W109-I285 HydrophobicContact CE3-CG2 4.1Å; W109-I285 HydrophobicContact CG-CD1 3.48Å; W109-I285 VanDerWaalsContact CG-CD1 3.48Å; W109-I285 HydrophobicContact CG-CG1 3.67Å; W109-I285 HydrophobicContact CG-CG2 4.45Å; W109-I285 HydrophobicContact CH2-CG2 3.96Å; W109-I285 HydrophobicContact CZ2-CG2 3.68Å; W109-I285 HydrophobicContact CZ3-CG2 4.15Å; W109-D367 HydrophobicContact CZ2-CB 3.71Å; W109-D367 WeakPolarHBondContact CZ2-OD1 3.32Å; W109-D367 PolarHBondContact NE1-OD1 3.21Å; W109-D367 PolarHBondContact NE1-OD2 3.4Å; W109-V371 HydrophobicContact CH2-CB 3.83Å; W109-V371 HydrophobicContact CH2-CG2 4.29Å; W109-V371 HydrophobicContact CZ3-CB 4.25Å; W109-V371 HydrophobicContact CZ3-CG2 4.2Å
110L97Very high92.3Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-67.4-62-177.5-175.459.1000110.1D108 E112 F113 W114 F124 Y143 F227 I281D108-L110 PolarHBondContact O-N 2.82Å; D108-L110 VanDerWaalsContact O-N 3.15Å; D108-L110 PolarHBondContact OD1-N 3.4Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-E112 PolarHBondContact O-N 2.66Å; L110-F113 PolarHBondContact O-N 2.62Å; L110-W114 VanDerWaalsContact CD1-CD1 3.46Å; L110-W114 PolarHBondContact O-N 3.31Å; L110-F124 HydrophobicContact CD1-CD2 4.05Å; L110-F124 HydrophobicContact CD1-CE2 4.13Å; L110-F124 HydrophobicContact CD2-CB 3.84Å; L110-F124 HydrophobicContact CD2-CD1 3.82Å; L110-F124 HydrophobicContact CD2-CD2 3.72Å; L110-F124 HydrophobicContact CD2-CE1 4.39Å; L110-F124 HydrophobicContact CD2-CE2 4.33Å; L110-F124 HydrophobicContact CD2-CG 3.46Å; L110-F124 VanDerWaalsContact CD2-CG 3.46Å; L110-F124 HydrophobicContact CG-CB 4.35Å; L110-F124 HydrophobicContact CG-CD2 3.72Å; L110-F124 HydrophobicContact CG-CE2 4.3Å; L110-F124 HydrophobicContact CG-CG 3.98Å; L110-Y143 HydrophobicContact CD1-CD2 4.38Å; L110-Y143 HydrophobicContact CD1-CE2 4.04Å; L110-Y143 HydrophobicContact CD2-CD2 4.09Å; L110-Y143 HydrophobicContact CD2-CE2 4.15Å; L110-F227 HydrophobicContact CB-CD1 4.15Å; L110-F227 HydrophobicContact CB-CE1 3.97Å; L110-F227 HydrophobicContact CB-CZ 4.38Å; L110-F227 HydrophobicContact CD1-CE1 3.73Å; L110-F227 HydrophobicContact CD1-CZ 4.22Å; L110-F227 HydrophobicContact CD2-CD1 4.33Å; L110-F227 HydrophobicContact CD2-CE1 4.27Å; L110-F227 HydrophobicContact CG-CE1 4.22Å; L110-I281 HydrophobicContact CD1-CD1 4.25Å
111N95.1Very high91.9Very high4 Ų438.9 Ų38.92%0.02121%0.211CC..Hα-helixtrans-71.7-27.7-176.3-69.2-68.9000112.9D108 S115 F124 N225D108-N111 VanDerWaalsContact CG-ND2 3.33Å; D108-N111 PolarHBondContact O-N 2.88Å; D108-N111 WeakPolarHBondContact OD1-CB 3.44Å; D108-N111 PolarHBondContact OD1-N 2.79Å; D108-N111 PolarHBondContact OD1-ND2 2.87Å; D108-N111 VanDerWaalsContact OD1-ND2 3.14Å; D108-N111 WeakPolarHBondContact OD2-CB 3.45Å; D108-N111 PolarHBondContact OD2-ND2 2.86Å; N111-S115 VanDerWaalsContact O-CB 3.23Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 2.94Å; N111-S115 PolarHBondContact O-OG 2.86Å; N111-F124 WeakPolarHBondContact OD1-CA 3.45Å; N111-F124 PolarHBondContact OD1-N 2.9Å; N111-N225 PolarHBondContact ND2-O 2.85Å
112E94.9Very high91.8Very high45 Ų4539 Ų3921%0.2121%0.212CC..Hα-helixtrans-59.4-47171.6-77177.9-134.600111.4D108 L110 L116 Y284 R289D108-E112 PolarHBondContact N-OE1 2.94Å; D108-E112 VanDerWaalsContact O-CB 3.24Å; D108-E112 WeakPolarHBondContact O-CB 3.43Å; D108-E112 WeakPolarHBondContact O-CG 3.29Å; D108-E112 PolarHBondContact O-N 2.76Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-E112 PolarHBondContact O-N 2.66Å; E112-L116 PolarHBondContact O-N 2.9Å; E112-Y284 HydrophobicContact CB-CE1 3.65Å; E112-R289 IonicContact OE1-CZ 3.5Å; E112-R289 IonicContact OE1-NH2 2.88Å; E112-R289 PolarHBondContact OE1-NH2 2.65Å; E112-R289 IonicContact OE2-CZ 3.27Å; E112-R289 IonicContact OE2-NH1 3.07Å; E112-R289 PolarHBondContact OE2-NH1 3.3Å; E112-R289 IonicContact OE2-NH2 2.62Å; E112-R289 PolarHBondContact OE2-NH2 2.77Å
113F95.5Very high91.7Very high0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-70.3-43.8177.9176.7-106.2000112.5W109 L110 S115 L116 R117 I281 Y284 L317 L320 M324W109-F113 WeakPolarHBondContact O-CB 3.45Å; W109-F113 PolarHBondContact O-N 2.83Å; L110-F113 PolarHBondContact O-N 2.62Å; F113-S115 PolarHBondContact O-N 2.74Å; F113-L116 WeakPolarHBondContact O-CA 3.45Å; F113-L116 VanDerWaalsContact O-CB 3.23Å; F113-L116 WeakPolarHBondContact O-CB 3.47Å; F113-L116 PolarHBondContact O-N 2.88Å; F113-R117 HydrophobicContact CE1-CG 4.14Å; F113-R117 HydrophobicContact CZ-CG 4.13Å; F113-R117 PolarHBondContact O-N 2.82Å; F113-I281 HydrophobicContact CB-CG1 3.93Å; F113-I281 HydrophobicContact CD1-CB 4.43Å; F113-I281 HydrophobicContact CD1-CD1 4.07Å; F113-I281 HydrophobicContact CD1-CG1 3.25Å; F113-I281 HydrophobicContact CD2-CG1 4.38Å; F113-I281 HydrophobicContact CE1-CG1 3.77Å; F113-I281 HydrophobicContact CG-CB 4.38Å; F113-I281 HydrophobicContact CG-CG1 3.59Å; F113-Y284 HydrophobicContact CB-CD1 3.94Å; F113-Y284 HydrophobicContact CB-CE1 4.4Å; F113-Y284 HydrophobicContact CB-CG 4.35Å; F113-Y284 HydrophobicContact CD2-CD1 4.29Å; F113-Y284 HydrophobicContact CD2-CD2 4.39Å; F113-Y284 AromaticContact CD2-CG 3.85Å; F113-Y284 HydrophobicContact CD2-CG 3.85Å; F113-L317 HydrophobicContact CZ-CD1 4.3Å; F113-L320 HydrophobicContact CE2-CD2 4.19Å; F113-M324 HydrophobicContact CE2-CE 4.38Å
114W93.1Very high91.9Very high8 Ų834 Ų343%0.0319%0.188CC..Hα-helixtrans-62.1-34.2177.3-72.9116.6000112.5L110 L116 R117 L120 F124L110-W114 VanDerWaalsContact CD1-CD1 3.46Å; L110-W114 PolarHBondContact O-N 3.31Å; W114-L116 PolarHBondContact O-N 2.8Å; W114-R117 PolarHBondContact O-N 2.81Å; W114-L120 HydrophobicContact CZ3-CD1 4.18Å; W114-F124 AromaticContact CD1-CD2 3.51Å; W114-F124 AromaticContact CD1-CE2 3.57Å; W114-F124 HydrophobicContact CD2-CE2 4.37Å; W114-F124 AromaticContact CE2-CE2 3.73Å; W114-F124 HydrophobicContact CG-CD2 4.36Å; W114-F124 HydrophobicContact CG-CE2 4.32Å; W114-F124 HydrophobicContact CZ2-CE2 4.27Å; W114-F124 AromaticContact NE1-CD2 3.61Å; W114-F124 AromaticContact NE1-CE2 3.17Å
115S91.3Very high92.1Very high67 Ų6729.4 Ų29.447%0.46917%0.17SC..THydrogen-bonded Turntrans-70-14.8173.5-57.60000113.7N111 F113N111-S115 VanDerWaalsContact O-CB 3.23Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 2.94Å; N111-S115 PolarHBondContact O-OG 2.86Å; F113-S115 PolarHBondContact O-N 2.74Å
116L92.2Very high92.2Very high4 Ų430 Ų302%0.02117%0.172CC..THydrogen-bonded Turntrans-82.6-31.6172.7-171.167.4000111.7E112 F113 W114 Y284 L306 C309 K310 L320E112-L116 PolarHBondContact O-N 2.9Å; F113-L116 WeakPolarHBondContact O-CA 3.45Å; F113-L116 VanDerWaalsContact O-CB 3.23Å; F113-L116 WeakPolarHBondContact O-CB 3.47Å; F113-L116 PolarHBondContact O-N 2.88Å; W114-L116 PolarHBondContact O-N 2.8Å; L116-Y284 HydrophobicContact CB-CE2 4.42Å; L116-Y284 HydrophobicContact CD2-CD2 3.47Å; L116-Y284 VanDerWaalsContact CD2-CD2 3.47Å; L116-Y284 HydrophobicContact CD2-CE2 3.68Å; L116-Y284 HydrophobicContact CG-CE2 4.47Å; L116-L306 HydrophobicContact CD1-CD2 3.84Å; L116-C309 HydrophobicContact CD1-CB 3.57Å; L116-C309 HydrophobicContact CD2-CB 4.17Å; L116-C309 HydrophobicContact CG-CB 4.04Å; L116-K310 HydrophobicContact CD1-CG 4.05Å; L116-L320 HydrophobicContact CD2-CD1 4.17Å; L116-L320 HydrophobicContact CD2-CD2 4.36Å
117R91.5Very high92.5Very high20 Ų2026.9 Ų26.98%0.07515%0.151CC..  trans-71.1134.7-176.7-72.1-173.769.4167.65.7111.2F113 W114 D119 L120 E277 Y314 L320F113-R117 HydrophobicContact CE1-CG 4.14Å; F113-R117 HydrophobicContact CZ-CG 4.13Å; F113-R117 PolarHBondContact O-N 2.82Å; W114-R117 PolarHBondContact O-N 2.81Å; R117-D119 WeakPolarHBondContact CB-OD1 3.28Å; R117-D119 IonicContact CZ-OD1 2.99Å; R117-D119 IonicContact CZ-OD2 3.67Å; R117-D119 IonicContact NE-OD1 3Å; R117-D119 PolarHBondContact NE-OD1 3.13Å; R117-D119 IonicContact NE-OD2 2.82Å; R117-D119 PolarHBondContact NE-OD2 2.8Å; R117-D119 IonicContact NH2-OD1 3.45Å; R117-D119 IonicContact NH2-OD2 3.92Å; R117-D119 PolarHBondContact NH2-OD2 2.93Å; R117-L120 VanDerWaalsContact NH2-CD1 3.29Å; R117-E277 IonicContact CZ-OE1 2.82Å; R117-E277 IonicContact NH1-OE1 3.72Å; R117-E277 PolarHBondContact NH1-OE1 2.76Å; R117-E277 IonicContact NH2-OE1 3.74Å; R117-Y314 WeakPolarHBondContact CA-OH 3.38Å; R117-L320 HydrophobicContact CG-CD2 4.3Å
118N87.6Confident92.6Very high67 Ų6727.5 Ų27.536%0.35815%0.152SC..SBendtrans-121.5-1.8174.861.731.2000113.5M312 Y314N118-M312 PolarHBondContact ND2-O 3.18Å; N118-Y314 PolarHBondContact N-OH 2.84Å; N118-Y314 WeakPolarHBondContact OD1-CD1 3.42Å; N118-Y314 WeakPolarHBondContact OD1-CE1 3.18Å
119D87.8Confident92.7Very high38 Ų3827.3 Ų27.320%0.20315%0.15CC..SBendtrans-78-27.3172.461-55.3000112.4R117 Y314R117-D119 WeakPolarHBondContact CB-OD1 3.28Å; R117-D119 IonicContact CZ-OD1 2.99Å; R117-D119 IonicContact CZ-OD2 3.67Å; R117-D119 IonicContact NE-OD1 3Å; R117-D119 PolarHBondContact NE-OD1 3.13Å; R117-D119 IonicContact NE-OD2 2.82Å; R117-D119 PolarHBondContact NE-OD2 2.8Å; R117-D119 IonicContact NH2-OD1 3.45Å; R117-D119 IonicContact NH2-OD2 3.92Å; R117-D119 PolarHBondContact NH2-OD2 2.93Å; D119-Y314 HydrophobicContact CB-CD2 3.8Å; D119-Y314 HydrophobicContact CB-CE2 3.44Å; D119-Y314 VanDerWaalsContact CB-CE2 3.44Å; D119-Y314 WeakPolarHBondContact CB-O 3.49Å; D119-Y314 VanDerWaalsContact OD1-CE2 3.27Å; D119-Y314 WeakPolarHBondContact OD1-CE2 3.21Å; D119-Y314 PolarHBondContact OD1-OH 2.95Å
120L84.2Confident92.7Very high70 Ų7027.3 Ų27.337%0.36615%0.15SC..SBendtrans-125.9146.6174.4-61.9178000109.2W114 R117W114-L120 HydrophobicContact CZ3-CD1 4.18Å; R117-L120 VanDerWaalsContact NH2-CD1 3.29Å
121S82.2Confident92.7Very high94 Ų9427.4 Ų27.466%0.65715%0.151SC*.  trans-102.797.5165.6-172.80000106.1K91K91-S121 VanDerWaalsContact CE-C 3.46Å; K91-S121 VanDerWaalsContact CE-O 3.32Å; K91-S121 WeakPolarHBondContact CE-O 3.17Å; K91-S121 WeakPolarHBondContact CE-OG 3.23Å; K91-S121 VanDerWaalsContact NZ-C 3.26Å; K91-S121 PolarHBondContact NZ-O 3.17Å
122D87.5Confident92.8Very high61 Ų6132.6 Ų32.633%0.32618%0.175SC..  trans-149153.8176.3-149.1-6.6000110.8H88H88-D122 IonicContact CE1-OD1 3.85Å; H88-D122 PolarHBondContact CE1-OD1 3.5Å; H88-D122 IonicContact ND1-OD1 3.69Å; H88-D122 IonicContact NE2-OD1 3.77Å
123D92.4Very high92.9Very high15 Ų1531.3 Ų31.38%0.0817%0.174CC..  trans-154.3165.4175.166.3-0.5000110.9H88 K91 K125H88-D123 PolarHBondContact CE1-O 3.19Å; H88-D123 IonicContact CE1-OD1 2.89Å; H88-D123 IonicContact CG-OD1 3.88Å; H88-D123 PolarHBondContact ND1-O 3.02Å; H88-D123 IonicContact ND1-OD1 2.77Å; H88-D123 PolarHBondContact ND1-OD1 2.87Å; K91-D123 WeakPolarHBondContact CG-OD2 3.34Å; D123-K125 VanDerWaalsContact C-N 3.35Å; D123-K125 HydrophobicContact CB-CG 4.26Å
124F94.6Very high93Very high17 Ų1731.3 Ų31.38%0.07517%0.174CC..SBendtrans-106.942177-73.2-95.4000110.1L110 N111 W114 F126 V142 Y143 H224 N225L110-F124 HydrophobicContact CD1-CD2 4.05Å; L110-F124 HydrophobicContact CD1-CE2 4.13Å; L110-F124 HydrophobicContact CD2-CB 3.84Å; L110-F124 HydrophobicContact CD2-CD1 3.82Å; L110-F124 HydrophobicContact CD2-CD2 3.72Å; L110-F124 HydrophobicContact CD2-CE1 4.39Å; L110-F124 HydrophobicContact CD2-CE2 4.33Å; L110-F124 HydrophobicContact CD2-CG 3.46Å; L110-F124 VanDerWaalsContact CD2-CG 3.46Å; L110-F124 HydrophobicContact CG-CB 4.35Å; L110-F124 HydrophobicContact CG-CD2 3.72Å; L110-F124 HydrophobicContact CG-CE2 4.3Å; L110-F124 HydrophobicContact CG-CG 3.98Å; N111-F124 WeakPolarHBondContact OD1-CA 3.45Å; N111-F124 PolarHBondContact OD1-N 2.9Å; W114-F124 AromaticContact CD1-CD2 3.51Å; W114-F124 AromaticContact CD1-CE2 3.57Å; W114-F124 HydrophobicContact CD2-CE2 4.37Å; W114-F124 AromaticContact CE2-CE2 3.73Å; W114-F124 HydrophobicContact CG-CD2 4.36Å; W114-F124 HydrophobicContact CG-CE2 4.32Å; W114-F124 HydrophobicContact CZ2-CE2 4.27Å; W114-F124 AromaticContact NE1-CD2 3.61Å; W114-F124 AromaticContact NE1-CE2 3.17Å; F124-F126 HydrophobicContact CB-CE2 4.41Å; F124-F126 HydrophobicContact CB-CZ 4.41Å; F124-F126 HydrophobicContact CD1-CZ 4.24Å; F124-V142 HydrophobicContact CD1-CG2 4.02Å; F124-V142 HydrophobicContact CE1-CG2 3.95Å; F124-Y143 HydrophobicContact CD1-CE2 4.26Å; F124-Y143 HydrophobicContact CE1-CD2 4.32Å; F124-Y143 AromaticContact CE1-CE2 3.43Å; F124-Y143 HydrophobicContact CE1-CE2 3.43Å; F124-Y143 VanDerWaalsContact CE1-CE2 3.43Å; F124-Y143 AromaticContact CE1-CZ 3.97Å; F124-Y143 HydrophobicContact CE2-CE2 4.2Å; F124-Y143 AromaticContact CZ-CE2 3.42Å; F124-Y143 HydrophobicContact CZ-CE2 3.42Å; F124-Y143 VanDerWaalsContact CZ-CE2 3.42Å; F124-Y143 AromaticContact CZ-CZ 3.73Å; F124-Y143 WeakPolarHBondContact CZ-OH 3.14Å; F124-H224 WeakPolarHBondContact O-CA 3.37Å; F124-H224 WeakPolarHBondContact O-CB 3.39Å; F124-N225 HydrophobicContact CB-CB 4.17Å; F124-N225 WeakPolarHBondContact CB-O 3.38Å; F124-N225 HydrophobicContact CD1-CB 4.24Å; F124-N225 PolarHBondContact O-N 3.4Å
125K94.4Very high93.3Very high22 Ų2231.4 Ų31.410%0.09617%0.174CC..EExtended strand (participates in β ladder)trans-128.3110.4-174.4-51-176.7-179.7172.90109.4E95 D123 H224E95-K125 IonicContact OE1-NZ 2.62Å; E95-K125 IonicContact OE2-NZ 2.78Å; E95-K125 PolarHBondContact OE2-NZ 3.3Å; D123-K125 VanDerWaalsContact C-N 3.35Å; D123-K125 HydrophobicContact CB-CG 4.26Å; K125-H224 HydrophobicContact CG-CB 4.5Å
126F95.4Very high93.6Very high16 Ų1628.6 Ų28.67%0.0716%0.155CC..EExtended strand (participates in β ladder)trans-121.3145.1-167-47.7-70.4000111.7D86 H88 F124 Y128 I222 N223 N225D86-F126 HydrophobicContact CB-CD1 4.32Å; H88-F126 AromaticContact CE1-CE1 3.54Å; H88-F126 AromaticContact ND1-CE1 3.89Å; F124-F126 HydrophobicContact CB-CE2 4.41Å; F124-F126 HydrophobicContact CB-CZ 4.41Å; F124-F126 HydrophobicContact CD1-CZ 4.24Å; F126-Y128 HydrophobicContact CB-CD1 3.92Å; F126-Y128 HydrophobicContact CB-CE1 3.58Å; F126-Y128 HydrophobicContact CG-CE1 4.24Å; F126-I222 WeakPolarHBondContact O-CA 3.44Å; F126-N223 HydrophobicContact CB-CB 4.37Å; F126-N223 WeakPolarHBondContact CD2-O 3.24Å; F126-N223 PolarHBondContact N-O 3.38Å; F126-N223 PolarHBondContact O-N 3.32Å; F126-N225 WeakPolarHBondContact CE2-OD1 3.3Å
127L96.3Very high93.8Very high0 Ų029.8 Ų29.80%016%0.162CC..EExtended strand (participates in β ladder)trans-101.8128.7161.8-169.175.1000108.8W22 V34 W87 Y89 F90 I220 S221 I222W22-L127 HydrophobicContact CH2-CD1 3.46Å; W22-L127 VanDerWaalsContact CH2-CD1 3.46Å; W22-L127 HydrophobicContact CH2-CD2 4.26Å; W22-L127 HydrophobicContact CZ3-CD1 3.49Å; W22-L127 VanDerWaalsContact CZ3-CD1 3.49Å; V34-L127 HydrophobicContact CG1-CD2 4.27Å; W87-L127 WeakPolarHBondContact CB-O 3.25Å; W87-L127 HydrophobicContact CE3-CB 4.27Å; W87-L127 HydrophobicContact CE3-CD2 3.66Å; W87-L127 HydrophobicContact CE3-CG 4.41Å; W87-L127 HydrophobicContact CZ3-CD2 3.64Å; W87-L127 PolarHBondContact N-O 2.96Å; W87-L127 PolarHBondContact O-N 3.14Å; Y89-L127 HydrophobicContact CD2-CD2 3.68Å; Y89-L127 HydrophobicContact CE2-CD2 4.27Å; Y89-L127 HydrophobicContact CG-CB 4.35Å; Y89-L127 HydrophobicContact CG-CD2 3.86Å; F90-L127 HydrophobicContact CZ-CD1 4.42Å; L127-I220 HydrophobicContact CD1-CD1 4.15Å; L127-I220 HydrophobicContact CD1-CG1 3.86Å; L127-I220 HydrophobicContact CD2-CD1 4.09Å; L127-I220 HydrophobicContact CD2-CG1 4.42Å; L127-I220 HydrophobicContact CG-CD1 4.4Å; L127-I220 HydrophobicContact CG-CG1 4.2Å; L127-S221 WeakPolarHBondContact CA-O 3.04Å; L127-S221 WeakPolarHBondContact CD1-O 3.34Å; L127-I222 HydrophobicContact CD1-CG1 4.04Å
128Y98.4Very high94.1Very high25 Ų2529.3 Ų29.310%0.09816%0.161CC..EExtended strand (participates in β ladder)trans-112.1123.9174.4-75.119.9000108.3Y83 L84 K85 D86 F126 T136 I220 S221 N223Y83-Y128 AromaticContact CZ-CD2 3.96Å; Y83-Y128 VanDerWaalsContact OH-CD2 3.29Å; Y83-Y128 WeakPolarHBondContact OH-CD2 3.18Å; L84-Y128 CarbonylContact O-C 3.58Å; L84-Y128 WeakPolarHBondContact O-CA 3.4Å; K85-Y128 HydrophobicContact CB-CD1 4.01Å; K85-Y128 HydrophobicContact CB-CD2 4.25Å; K85-Y128 HydrophobicContact CB-CE1 4.07Å; K85-Y128 HydrophobicContact CB-CE2 4.3Å; K85-Y128 HydrophobicContact CB-CG 4.09Å; D86-Y128 VanDerWaalsContact OD1-CE1 3.27Å; D86-Y128 WeakPolarHBondContact OD1-CE1 3.35Å; D86-Y128 VanDerWaalsContact OD1-CZ 3.24Å; D86-Y128 PolarHBondContact OD1-OH 2.64Å; F126-Y128 HydrophobicContact CB-CD1 3.92Å; F126-Y128 HydrophobicContact CB-CE1 3.58Å; F126-Y128 HydrophobicContact CG-CE1 4.24Å; Y128-T136 HydrophobicContact CE2-CG2 4.41Å; Y128-I220 CarbonylContact O-C 3.52Å; Y128-I220 VanDerWaalsContact O-CA 3.23Å; Y128-I220 WeakPolarHBondContact O-CA 3.5Å; Y128-S221 PolarHBondContact N-O 3.34Å; Y128-S221 PolarHBondContact O-N 2.67Å; Y128-N223 HydrophobicContact CE1-CB 4.4Å
129L98.4Very high94.5Very high0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans-131.9113.2-178.7172.663.8000109.6I29 L31 V34 F35 F66 W70 Y83 L84 C219 I220I29-L129 HydrophobicContact CD1-CD1 4.16Å; I29-L129 HydrophobicContact CG2-CD1 4.04Å; L31-L129 HydrophobicContact CD2-CD1 4.16Å; L31-L129 HydrophobicContact CD2-CD2 3.74Å; L31-L129 HydrophobicContact CD2-CG 4.47Å; V34-L129 HydrophobicContact CG1-CD2 4.39Å; F35-L129 HydrophobicContact CE2-CD2 4.18Å; F35-L129 HydrophobicContact CZ-CD2 3.91Å; F66-L129 HydrophobicContact CE1-CD2 3.74Å; F66-L129 HydrophobicContact CE1-CG 4.18Å; F66-L129 HydrophobicContact CZ-CD2 4.4Å; F66-L129 HydrophobicContact CZ-CG 4.41Å; W70-L129 HydrophobicContact CH2-CD1 3.7Å; W70-L129 HydrophobicContact CH2-CG 4.41Å; W70-L129 HydrophobicContact CZ3-CD1 3.86Å; W70-L129 HydrophobicContact CZ3-CG 4.07Å; Y83-L129 WeakPolarHBondContact CD2-O 3.38Å; L84-L129 HydrophobicContact CB-CB 4.29Å; L84-L129 WeakPolarHBondContact CB-O 3.4Å; L84-L129 HydrophobicContact CD2-CB 4.49Å; L84-L129 HydrophobicContact CD2-CD2 4.28Å; L84-L129 PolarHBondContact N-O 3.21Å; L84-L129 PolarHBondContact O-N 3.37Å; L129-C219 WeakPolarHBondContact CA-O 3.49Å; L129-I220 HydrophobicContact CD1-CB 4.04Å; L129-I220 HydrophobicContact CD1-CD1 4.29Å; L129-I220 HydrophobicContact CD1-CG1 4.29Å
130G98Very high95Very high0 Ų027.6 Ų27.60%015%0.151CC..EExtended strand (participates in β ladder)trans-144.7144.6-175.100000112.8W70 N218 C219W70-G130 WeakPolarHBondContact CH2-O 2.94Å; G130-N218 WeakPolarHBondContact O-CA 3.42Å; G130-C219 PolarHBondContact N-O 3.43Å; G130-C219 PolarHBondContact O-N 2.89Å
131S96.2Very high95.6Very high3 Ų325 Ų252%0.02114%0.138CC..  trans-71.5167170.957.60000111.1Y69 G133 T134 N218Y69-S131 PolarHBondContact OH-OG 2.76Å; Y69-S131 VanDerWaalsContact OH-OG 3.04Å; S131-G133 PolarHBondContact O-N 2.63Å; S131-T134 WeakPolarHBondContact O-CG2 3.29Å; S131-T134 PolarHBondContact O-N 2.68Å; S131-T134 VanDerWaalsContact O-N 3.14Å; S131-T134 PolarHBondContact O-OG1 3.2Å; S131-N218 VanDerWaalsContact CA-OD1 3.26Å; S131-N218 WeakPolarHBondContact CA-OD1 3.49Å
132H96.7Very high96Very high112 Ų11223.9 Ų23.952%0.51913%0.127SC..THydrogen-bonded Turntrans-45.2131.9169.5174.382.2000111.7M216 T217 N218H132-M216 PolarHBondContact CE1-O 3.06Å; H132-M216 VanDerWaalsContact CE1-O 3.26Å; H132-M216 VanDerWaalsContact ND1-C 3.26Å; H132-M216 PolarHBondContact ND1-O 3.31Å; H132-T217 WeakPolarHBondContact CA-O 3.33Å; H132-N218 PolarHBondContact N-OD1 2.89Å
133G97.4Very high96.4Very high18 Ų1821.3 Ų21.319%0.18611%0.113CC..THydrogen-bonded Turntrans91.8-14.5178.200000115.3S131 N215S131-G133 PolarHBondContact O-N 2.63Å; G133-N215 PolarHBondContact N-O 2.75Å
134T98.3Very high96.5Very high0 Ų023.3 Ų23.30%012%0.119CC..  trans-61.9144.3172.457.10000110.3I81 L82 Y83 S131 N215I81-T134 HydrophobicContact CG2-CG2 3.66Å; L82-T134 VanDerWaalsContact O-CG2 3.25Å; L82-T134 WeakPolarHBondContact O-CG2 3.42Å; Y83-T134 HydrophobicContact CD2-CG2 4.32Å; Y83-T134 HydrophobicContact CG-CG2 4.01Å; S131-T134 WeakPolarHBondContact O-CG2 3.29Å; S131-T134 PolarHBondContact O-N 2.68Å; S131-T134 VanDerWaalsContact O-N 3.14Å; S131-T134 PolarHBondContact O-OG1 3.2Å; T134-N215 WeakPolarHBondContact O-CB 3.04Å; T134-N215 PolarHBondContact O-N 3.44Å; T134-N215 WeakPolarHBondContact OG1-CB 3.48Å; T134-N215 PolarHBondContact OG1-ND2 3.09Å
135W98.2Very high96.7Very high10 Ų1022.5 Ų22.54%0.03812%0.115CC..EExtended strand (participates in β ladder)trans-152.8159.8-172.266.5-75.6000112.5C48 H56 P137 F178 D179 Q212 V213 V214C48-W135 PolarHBondContact O-NE1 2.88Å; H56-W135 AromaticContact CE1-CD2 3.96Å; H56-W135 AromaticContact CE1-CE2 3.62Å; H56-W135 AromaticContact CE1-CZ2 3.85Å; H56-W135 AromaticContact CE1-NE1 3.87Å; H56-W135 PolarHBondContact CE1-O 3.06Å; H56-W135 AromaticContact NE2-CE2 3.3Å; H56-W135 VanDerWaalsContact NE2-CE2 3.3Å; H56-W135 AromaticContact NE2-CH2 3.87Å; H56-W135 AromaticContact NE2-CZ2 3.17Å; H56-W135 WeakPolarHBondContact NE2-CZ2 3.34Å; H56-W135 AromaticContact NE2-NE1 3.58Å; W135-P137 HydrophobicContact CZ3-CB 4.48Å; W135-F178 AromaticContact CH2-CD1 3.56Å; W135-F178 HydrophobicContact CH2-CD1 3.56Å; W135-F178 AromaticContact CH2-CE1 3.31Å; W135-F178 HydrophobicContact CH2-CE1 3.31Å; W135-F178 HydrophobicContact CH2-CG 4.49Å; W135-F178 HydrophobicContact CH2-CZ 4.09Å; W135-F178 HydrophobicContact CZ2-CD1 4.24Å; W135-F178 AromaticContact CZ2-CE1 3.65Å; W135-F178 HydrophobicContact CZ2-CE1 3.65Å; W135-F178 HydrophobicContact CZ2-CZ 4.43Å; W135-F178 HydrophobicContact CZ3-CE1 4.36Å; W135-D179 HydrophobicContact CH2-CB 3.74Å; W135-D179 HydrophobicContact CZ3-CB 3.97Å; W135-Q212 HydrophobicContact CE3-CG 4.41Å; W135-V213 CarbonylContact C-O 3.56Å; W135-V213 WeakPolarHBondContact CA-O 3.07Å; W135-V213 WeakPolarHBondContact CB-O 3.48Å; W135-V214 HydrophobicContact CB-CB 4.34Å; W135-V214 HydrophobicContact CB-CG2 3.84Å
136T97.7Very high96.8Very high9 Ų922.5 Ų22.56%0.05512%0.115CC..EExtended strand (participates in β ladder)trans-106.4138.1173.561.70000110.3Y83 Y128 Q212 V213Y83-T136 HydrophobicContact CE1-CG2 3.91Å; Y128-T136 HydrophobicContact CE2-CG2 4.41Å; T136-Q212 WeakPolarHBondContact O-CG 3.29Å; T136-V213 PolarHBondContact N-O 3.47Å; T136-V213 PolarHBondContact OG1-N 3.42Å
137P96.9Very high96.9Very high28 Ų2822 Ų2218%0.18211%0.114CC..EExtended strand (participates in β ladder)trans-57.7164.7174.8-25.736.9000113.4W135 H139 F178W135-P137 HydrophobicContact CZ3-CB 4.48Å; P137-H139 PolarHBondContact O-N 2.58Å; P137-H139 PolarHBondContact O-ND1 2.89Å; P137-F178 WeakPolarHBondContact CA-O 3.39Å; P137-F178 HydrophobicContact CB-CD2 3.64Å; P137-F178 HydrophobicContact CB-CE2 3.42Å; P137-F178 VanDerWaalsContact CB-CE2 3.42Å; P137-F178 HydrophobicContact CB-CG 4.42Å; P137-F178 HydrophobicContact CB-CZ 4.03Å; P137-F178 HydrophobicContact CG-CD2 3.91Å; P137-F178 HydrophobicContact CG-CE1 4.35Å; P137-F178 HydrophobicContact CG-CE2 3.12Å; P137-F178 HydrophobicContact CG-CZ 3.41Å; P137-F178 VanDerWaalsContact CG-CZ 3.41Å
138F97.7Very high97Very high11 Ų1122 Ų225%0.04811%0.114CC..EExtended strand (participates in β ladder)trans-70.7113174.5-175.5-127.4000111.2F161 E166 L169 I176 P177 F178 I180 Y210 H211 Q212F138-F161 HydrophobicContact CD2-CD2 4.35Å; F138-F161 HydrophobicContact CD2-CE2 4.29Å; F138-F161 HydrophobicContact CE2-CB 4.48Å; F138-F161 AromaticContact CE2-CD2 3.32Å; F138-F161 HydrophobicContact CE2-CD2 3.32Å; F138-F161 AromaticContact CE2-CE2 3.56Å; F138-F161 HydrophobicContact CE2-CE2 3.56Å; F138-F161 AromaticContact CE2-CG 3.94Å; F138-F161 HydrophobicContact CE2-CG 3.94Å; F138-F161 HydrophobicContact CE2-CZ 4.38Å; F138-F161 HydrophobicContact CZ-CB 4.44Å; F138-F161 HydrophobicContact CZ-CD1 4.44Å; F138-F161 AromaticContact CZ-CD2 3.86Å; F138-F161 HydrophobicContact CZ-CD2 3.86Å; F138-F161 HydrophobicContact CZ-CE2 4.18Å; F138-F161 HydrophobicContact CZ-CG 4.01Å; F138-E166 HydrophobicContact CE1-CB 4.09Å; F138-E166 HydrophobicContact CZ-CB 4.1Å; F138-L169 HydrophobicContact CE1-CD1 3.82Å; F138-L169 HydrophobicContact CZ-CD1 3.88Å; F138-I176 HydrophobicContact CD1-CG2 3.25Å; F138-I176 HydrophobicContact CE1-CG2 3.67Å; F138-I176 HydrophobicContact CG-CG2 4.29Å; F138-P177 WeakPolarHBondContact CB-O 3.24Å; F138-P177 HydrophobicContact CD1-CG 4.24Å; F138-F178 PolarHBondContact N-O 3.21Å; F138-I180 HydrophobicContact CB-CG1 4.36Å; F138-I180 HydrophobicContact CB-CG2 3.75Å; F138-I180 HydrophobicContact CD1-CG2 3.37Å; F138-I180 HydrophobicContact CD2-CG1 4.07Å; F138-I180 HydrophobicContact CD2-CG2 3.89Å; F138-I180 HydrophobicContact CE1-CG2 3.88Å; F138-I180 HydrophobicContact CE2-CG2 4.31Å; F138-I180 HydrophobicContact CG-CB 4.47Å; F138-I180 HydrophobicContact CG-CG1 4.25Å; F138-I180 HydrophobicContact CG-CG2 3.4Å; F138-I180 VanDerWaalsContact CG-CG2 3.4Å; F138-I180 HydrophobicContact CZ-CG2 4.32Å; F138-Y210 HydrophobicContact CD1-CD1 4.33Å; F138-Y210 AromaticContact CE1-CD1 3.99Å; F138-Y210 HydrophobicContact CE1-CD1 3.99Å; F138-Y210 HydrophobicContact CE1-CG 4.41Å; F138-Y210 HydrophobicContact CE2-CD1 4.37Å; F138-Y210 HydrophobicContact CE2-CG 4.34Å; F138-Y210 HydrophobicContact CZ-CD1 4.03Å; F138-Y210 HydrophobicContact CZ-CG 4.02Å; F138-H211 WeakPolarHBondContact CA-O 3.47Å; F138-Q212 HydrophobicContact CB-CB 4.35Å; F138-Q212 HydrophobicContact CD2-CB 4.32Å
139H96.6Very high97Very high57 Ų5720.8 Ų20.826%0.26411%0.109SC..EExtended strand (participates in β ladder)trans-151.8165.8-174.269.8-69.2000111.3P137 D141 Y210 H211P137-H139 PolarHBondContact O-N 2.58Å; P137-H139 PolarHBondContact O-ND1 2.89Å; H139-D141 IonicContact NE2-OD1 3Å; H139-Y210 VanDerWaalsContact C-CD1 3.46Å; H139-Y210 CarbonylContact O-C 3.16Å; H139-Y210 WeakPolarHBondContact O-CA 3.23Å; H139-H211 AromaticContact CE1-NE2 3.56Å; H139-H211 PolarHBondContact N-O 3.24Å; H139-H211 AromaticContact NE2-CE1 3.84Å; H139-H211 AromaticContact NE2-NE2 3.62Å; H139-H211 PolarHBondContact O-N 3.31Å; H139-H211 PolarHBondContact O-ND1 3.49Å
140A96.9Very high97Very high12 Ų1220.8 Ų20.810%0.09911%0.109CC..  trans-112.4145.4160.700000108.5R144 Y210A140-R144 VanDerWaalsContact CB-NH1 3.31Å; A140-R144 PolarHBondContact O-NH1 3.36Å; A140-Y210 HydrophobicContact CB-CD1 4.23Å; A140-Y210 HydrophobicContact CB-CD2 3.57Å; A140-Y210 HydrophobicContact CB-CE1 4.27Å; A140-Y210 HydrophobicContact CB-CE2 3.62Å; A140-Y210 HydrophobicContact CB-CG 3.88Å
141D96.6Very high97Very high16 Ų1620.8 Ų20.89%0.08611%0.109CC..  trans-57.8155.3-172-79.3-55.9000114.4H139 R144 S147 H211 N225H139-D141 IonicContact NE2-OD1 3Å; D141-R144 PolarHBondContact O-N 3.34Å; D141-R144 VanDerWaalsContact O-N 3.08Å; D141-S147 WeakPolarHBondContact OD2-CB 3.37Å; D141-H211 IonicContact OD2-CE1 3.53Å; D141-H211 PolarHBondContact OD2-CE1 2.89Å; D141-H211 VanDerWaalsContact OD2-CE1 3.31Å; D141-N225 VanDerWaalsContact CB-ND2 3.33Å; D141-N225 WeakPolarHBondContact CB-ND2 3.45Å; D141-N225 PolarHBondContact OD1-ND2 3.24Å; D141-N225 VanDerWaalsContact OD1-ND2 3.08Å
142V91.9Very high97.1Very high69 Ų6920.7 Ų20.742%0.41811%0.108SC..G310 helixtrans-50.3142.9178.3-64.60000111.3F124 R144 S145 N225F124-V142 HydrophobicContact CD1-CG2 4.02Å; F124-V142 HydrophobicContact CE1-CG2 3.95Å; V142-R144 PolarHBondContact O-N 3.27Å; V142-S145 VanDerWaalsContact O-CB 3.24Å; V142-S145 WeakPolarHBondContact O-CB 3.47Å; V142-S145 PolarHBondContact O-N 2.7Å; V142-S145 PolarHBondContact O-OG 3.22Å; V142-N225 HydrophobicContact CG2-CB 4.17Å
143Y94.6Very high97.2Very high8 Ų815.9 Ų15.93%0.0319%0.087CC..G310 helixtrans57.95.7-177.4-45-45.8000115.9L110 F124 S145 F227 V235 A271 G272 I273L110-Y143 HydrophobicContact CD1-CD2 4.38Å; L110-Y143 HydrophobicContact CD1-CE2 4.04Å; L110-Y143 HydrophobicContact CD2-CD2 4.09Å; L110-Y143 HydrophobicContact CD2-CE2 4.15Å; F124-Y143 HydrophobicContact CD1-CE2 4.26Å; F124-Y143 HydrophobicContact CE1-CD2 4.32Å; F124-Y143 AromaticContact CE1-CE2 3.43Å; F124-Y143 HydrophobicContact CE1-CE2 3.43Å; F124-Y143 VanDerWaalsContact CE1-CE2 3.43Å; F124-Y143 AromaticContact CE1-CZ 3.97Å; F124-Y143 HydrophobicContact CE2-CE2 4.2Å; F124-Y143 AromaticContact CZ-CE2 3.42Å; F124-Y143 HydrophobicContact CZ-CE2 3.42Å; F124-Y143 VanDerWaalsContact CZ-CE2 3.42Å; F124-Y143 AromaticContact CZ-CZ 3.73Å; F124-Y143 WeakPolarHBondContact CZ-OH 3.14Å; Y143-S145 PolarHBondContact O-N 3.4Å; Y143-F227 HydrophobicContact CD2-CE1 4.49Å; Y143-V235 WeakPolarHBondContact O-CA 3.31Å; Y143-V235 WeakPolarHBondContact O-CG2 3.24Å; Y143-A271 WeakPolarHBondContact CD1-O 3.25Å; Y143-A271 WeakPolarHBondContact CE1-O 3.37Å; Y143-G272 PolarHBondContact OH-O 2.68Å; Y143-I273 HydrophobicContact CD1-CB 4.4Å; Y143-I273 HydrophobicContact CD1-CG2 3.67Å; Y143-I273 HydrophobicContact CE1-CB 3.58Å; Y143-I273 HydrophobicContact CE1-CG2 3.33Å
144R96.1Very high97.2Very high57 Ų5715.7 Ų15.722%0.2159%0.085CC..G310 helixtrans56.133-162.2-51.8-63-179.9-134.86.2112.1A140 D141 V142 S207 Y210 H238A140-R144 VanDerWaalsContact CB-NH1 3.31Å; A140-R144 PolarHBondContact O-NH1 3.36Å; D141-R144 PolarHBondContact O-N 3.34Å; D141-R144 VanDerWaalsContact O-N 3.08Å; V142-R144 PolarHBondContact O-N 3.27Å; R144-S207 VanDerWaalsContact O-CB 3.28Å; R144-S207 WeakPolarHBondContact O-CB 3.5Å; R144-S207 PolarHBondContact O-OG 3.12Å; R144-Y210 PolarHBondContact NH2-OH 3.03Å; R144-H238 HydrophobicContact CB-CB 4.36Å; R144-H238 HydrophobicContact CG-CB 3.59Å; R144-H238 VanDerWaalsContact CG-CG 3.49Å
145S97.6Very high97.2Very high0 Ų017.4 Ų17.40%09%0.092CC..  trans-60.8166.9172.980.60000110.8V142 Y143 S207 N225 W226V142-S145 VanDerWaalsContact O-CB 3.24Å; V142-S145 WeakPolarHBondContact O-CB 3.47Å; V142-S145 PolarHBondContact O-N 2.7Å; V142-S145 PolarHBondContact O-OG 3.22Å; Y143-S145 PolarHBondContact O-N 3.4Å; S145-S207 WeakPolarHBondContact O-CA 3.4Å; S145-N225 WeakPolarHBondContact OG-CB 3.43Å; S145-N225 PolarHBondContact OG-ND2 2.97Å; S145-N225 VanDerWaalsContact OG-ND2 3.14Å; S145-W226 CarbonylContact C-O 3.56Å; S145-W226 VanDerWaalsContact CB-O 3.27Å; S145-W226 WeakPolarHBondContact CB-O 3.02Å
146F97.7Very high97.2Very high21 Ų2117 Ų179%0.0929%0.091CC..EExtended strand (participates in β ladder)trans-69.2160.7153.7-62.3-54.5000109.8F204 S207 N225 W226 T230 N231F146-F204 HydrophobicContact CB-CE2 3.83Å; F146-F204 HydrophobicContact CB-CZ 4.46Å; F146-F204 AromaticContact CD1-CE2 3.68Å; F146-F204 HydrophobicContact CD1-CE2 3.68Å; F146-F204 AromaticContact CD1-CZ 3.42Å; F146-F204 HydrophobicContact CD1-CZ 3.42Å; F146-F204 VanDerWaalsContact CD1-CZ 3.42Å; F146-F204 HydrophobicContact CE1-CE2 4.35Å; F146-F204 AromaticContact CE1-CZ 3.7Å; F146-F204 HydrophobicContact CE1-CZ 3.7Å; F146-F204 AromaticContact CG-CE2 3.76Å; F146-F204 HydrophobicContact CG-CE2 3.76Å; F146-F204 AromaticContact CG-CZ 3.97Å; F146-F204 HydrophobicContact CG-CZ 3.97Å; F146-F204 HydrophobicContact CZ-CZ 4.42Å; F146-S207 VanDerWaalsContact CD1-N 3.29Å; F146-N225 WeakPolarHBondContact O-CA 3.48Å; F146-W226 WeakPolarHBondContact CA-O 3.49Å; F146-W226 HydrophobicContact CB-CG 4.47Å; F146-W226 HydrophobicContact CB-CZ2 4.36Å; F146-W226 WeakPolarHBondContact CB-O 3.49Å; F146-W226 AromaticContact CD2-CD1 3.65Å; F146-W226 AromaticContact CD2-NE1 3.29Å; F146-W226 VanDerWaalsContact CD2-NE1 3.29Å; F146-W226 AromaticContact CG-NE1 3.82Å; F146-W226 PolarHBondContact N-O 3.3Å; F146-W226 PolarHBondContact O-N 3.45Å; F146-W226 VanDerWaalsContact O-N 3.09Å; F146-T230 WeakPolarHBondContact CE2-OG1 3.29Å; F146-T230 VanDerWaalsContact CZ-OG1 3.25Å; F146-T230 WeakPolarHBondContact CZ-OG1 3.4Å; F146-N231 HydrophobicContact CD2-CB 4.49Å; F146-N231 VanDerWaalsContact CD2-ND2 3.3Å; F146-N231 WeakPolarHBondContact CD2-ND2 3.48Å; F146-N231 HydrophobicContact CE1-CB 4.09Å; F146-N231 HydrophobicContact CE2-CB 3.76Å; F146-N231 WeakPolarHBondContact CE2-ND2 3.46Å; F146-N231 WeakPolarHBondContact CE2-OD1 3.39Å; F146-N231 HydrophobicContact CZ-CB 3.52Å; F146-N231 VanDerWaalsContact CZ-CG 3.48Å; F146-N231 PolarHBondContact N-ND2 3.42Å
147S97.4Very high97.3Very high5 Ų520.4 Ų20.44%0.03510%0.103CC..EExtended strand (participates in β ladder)trans-137.5153.7164.7178.70000109.9D141 V205 H224D141-S147 WeakPolarHBondContact OD2-CB 3.37Å; S147-V205 PolarHBondContact N-O 2.92Å; S147-V205 PolarHBondContact O-N 3.3Å; S147-H224 VanDerWaalsContact CA-O 3.28Å; S147-H224 WeakPolarHBondContact CA-O 3.45Å; S147-H224 PolarHBondContact OG-O 3.01Å
148W97.7Very high97.3Very high0 Ų019.3 Ų19.30%010%0.095CC..EExtended strand (participates in β ladder)trans-134.4148.8163.662.9-70.3000108.9W16 F99 L101 F105 A150 V203 I222 N223 H224 W226W16-W148 AromaticContact CH2-CH2 3.83Å; W16-W148 HydrophobicContact CH2-CH2 3.83Å; W16-W148 AromaticContact CH2-CZ3 3.64Å; W16-W148 HydrophobicContact CH2-CZ3 3.64Å; W16-W148 HydrophobicContact CZ3-CZ3 4.24Å; F99-W148 HydrophobicContact CE2-CH2 4.07Å; F99-W148 HydrophobicContact CE2-CZ2 4.45Å; L101-W148 HydrophobicContact CD1-CZ2 3.83Å; F105-W148 HydrophobicContact CD2-CB 4.38Å; F105-W148 AromaticContact CD2-CD2 3.96Å; F105-W148 HydrophobicContact CD2-CD2 3.96Å; F105-W148 AromaticContact CD2-CG 3.94Å; F105-W148 HydrophobicContact CD2-CG 3.94Å; F105-W148 HydrophobicContact CE1-CB 4.41Å; F105-W148 HydrophobicContact CE2-CB 3.92Å; F105-W148 AromaticContact CE2-CD2 3.99Å; F105-W148 HydrophobicContact CE2-CD2 3.99Å; F105-W148 HydrophobicContact CE2-CE3 4.27Å; F105-W148 AromaticContact CE2-CG 3.9Å; F105-W148 HydrophobicContact CE2-CG 3.9Å; F105-W148 HydrophobicContact CG-CG 4.49Å; F105-W148 HydrophobicContact CZ-CB 3.94Å; F105-W148 HydrophobicContact CZ-CG 4.37Å; W148-A150 HydrophobicContact CE3-CB 3.92Å; W148-A150 HydrophobicContact CZ3-CB 3.6Å; W148-V203 CarbonylContact C-O 3.49Å; W148-V203 WeakPolarHBondContact CA-O 3.35Å; W148-I222 HydrophobicContact CH2-CB 4.36Å; W148-I222 HydrophobicContact CH2-CG2 3.58Å; W148-I222 HydrophobicContact CZ3-CB 4.2Å; W148-I222 HydrophobicContact CZ3-CG2 3.89Å; W148-I222 WeakPolarHBondContact CZ3-O 2.98Å; W148-N223 VanDerWaalsContact O-CA 3.25Å; W148-N223 WeakPolarHBondContact O-CA 3.43Å; W148-H224 VanDerWaalsContact CD1-O 3.27Å; W148-H224 AromaticContact CE2-CD2 3.93Å; W148-H224 AromaticContact CE2-CG 3.57Å; W148-H224 AromaticContact CE2-ND1 3.94Å; W148-H224 AromaticContact CH2-CD2 3.75Å; W148-H224 AromaticContact CH2-NE2 3.73Å; W148-H224 HydrophobicContact CZ2-CB 4.02Å; W148-H224 AromaticContact CZ2-CD2 3.35Å; W148-H224 WeakPolarHBondContact CZ2-CD2 3.34Å; W148-H224 AromaticContact CZ2-CE1 3.5Å; W148-H224 AromaticContact CZ2-CG 3.28Å; W148-H224 AromaticContact CZ2-ND1 3.38Å; W148-H224 WeakPolarHBondContact CZ2-ND1 3.17Å; W148-H224 AromaticContact CZ2-NE2 3.5Å; W148-H224 WeakPolarHBondContact CZ2-NE2 3.32Å; W148-H224 PolarHBondContact N-O 3.07Å; W148-H224 VanDerWaalsContact N-O 3.08Å; W148-H224 AromaticContact NE1-CG 3.46Å; W148-H224 AromaticContact NE1-ND1 3.89Å; W148-H224 PolarHBondContact O-N 3.43Å; W148-H224 VanDerWaalsContact O-N 3.11Å; W148-W226 HydrophobicContact CB-CH2 3.96Å; W148-W226 AromaticContact CD1-CE3 3.47Å; W148-W226 VanDerWaalsContact CD1-CE3 3.47Å; W148-W226 AromaticContact CD1-CH2 3.01Å; W148-W226 AromaticContact CD1-CZ3 2.76Å; W148-W226 HydrophobicContact CD2-CZ3 4.33Å; W148-W226 AromaticContact CE2-CZ3 3.82Å; W148-W226 AromaticContact CG-CH2 3.58Å; W148-W226 HydrophobicContact CG-CH2 3.58Å; W148-W226 AromaticContact CG-CZ3 3.66Å; W148-W226 HydrophobicContact CG-CZ3 3.66Å; W148-W226 AromaticContact NE1-CE3 3.4Å; W148-W226 AromaticContact NE1-CH2 3.61Å; W148-W226 AromaticContact NE1-CZ3 2.84Å
149S98.2Very high97.3Very high0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-132.6109.5179.4175.10000108Q197 A202 V203 I222 N223S149-Q197 PolarHBondContact O-NE2 3.39Å; S149-A202 CarbonylContact O-C 3.58Å; S149-A202 VanDerWaalsContact O-CA 3.29Å; S149-A202 WeakPolarHBondContact O-CA 3.36Å; S149-V203 PolarHBondContact N-O 2.95Å; S149-V203 PolarHBondContact O-N 3.32Å; S149-I222 CarbonylContact C-O 3.52Å; S149-I222 WeakPolarHBondContact CA-O 3.21Å; S149-N223 WeakPolarHBondContact CB-ND2 3.32Å; S149-N223 PolarHBondContact OG-ND2 3.03Å
150A98.3Very high97.4Very high0 Ų017.5 Ų17.50%09%0.085CC..EExtended strand (participates in β ladder)trans-92.4110.6171.800000109.1T13 W16 W148 I152 Q201 A202 S221 I222T13-A150 HydrophobicContact CG2-CB 3.92Å; W16-A150 HydrophobicContact CH2-CB 3.7Å; W16-A150 HydrophobicContact CZ3-CB 3.54Å; W148-A150 HydrophobicContact CE3-CB 3.92Å; W148-A150 HydrophobicContact CZ3-CB 3.6Å; A150-I152 HydrophobicContact CB-CD1 4.43Å; A150-I152 PolarHBondContact O-N 2.9Å; A150-Q201 WeakPolarHBondContact CA-O 3.27Å; A150-A202 HydrophobicContact CB-CB 4.11Å; A150-S221 CarbonylContact O-C 3.55Å; A150-S221 WeakPolarHBondContact O-CA 3.39Å; A150-S221 WeakPolarHBondContact O-CB 3.05Å; A150-I222 PolarHBondContact N-O 2.82Å; A150-I222 PolarHBondContact O-N 3.07Å
151N98.4Very high97.4Very high0 Ų016.9 Ų16.90%08%0.081CC..EExtended strand (participates in β ladder)trans-80.9106.7179.5-170.541.1000109L153 G154 K156 Q197 S199 G200 Q201N151-L153 PolarHBondContact OD1-O 3.19Å; N151-L153 VanDerWaalsContact OD1-O 3.14Å; N151-G154 VanDerWaalsContact ND2-C 3.33Å; N151-G154 PolarHBondContact ND2-O 3.03Å; N151-K156 VanDerWaalsContact OD1-CE 3.28Å; N151-K156 WeakPolarHBondContact OD1-CE 3.16Å; N151-Q197 HydrophobicContact CB-CG 3.91Å; N151-S199 CarbonylContact O-C 3.54Å; N151-G200 WeakPolarHBondContact O-CA 3.22Å; N151-G200 PolarHBondContact O-N 3.21Å; N151-Q201 PolarHBondContact N-O 2.93Å
152I98Very high97.3Very high2 Ų217 Ų171%0.018%0.082CC..EExtended strand (participates in β ladder)trans-74.4-46.5-175.3-54-51.6000109.9W16 V18 W22 A150 I220 I222W16-I152 HydrophobicContact CE3-CD1 3.77Å; W16-I152 HydrophobicContact CZ3-CD1 3.93Å; V18-I152 HydrophobicContact CB-CG2 4.42Å; V18-I152 HydrophobicContact CG2-CD1 3.83Å; V18-I152 HydrophobicContact CG2-CG1 4.24Å; V18-I152 HydrophobicContact CG2-CG2 4.35Å; W22-I152 HydrophobicContact CE3-CG2 4.28Å; W22-I152 HydrophobicContact CZ3-CG1 4.3Å; A150-I152 HydrophobicContact CB-CD1 4.43Å; A150-I152 PolarHBondContact O-N 2.9Å; I152-I220 HydrophobicContact CB-CG2 4Å; I152-I220 WeakPolarHBondContact CB-O 3.24Å; I152-I220 HydrophobicContact CG2-CG2 4.41Å; I152-I220 PolarHBondContact N-O 3.15Å; I152-I222 HydrophobicContact CD1-CD1 4.16Å; I152-I222 HydrophobicContact CD1-CG1 4.24Å; I152-I222 HydrophobicContact CG1-CD1 4.39Å; I152-I222 HydrophobicContact CG1-CG1 4.13Å
153L97.9Very high97.5Very high11 Ų1117.1 Ų17.16%0.0588%0.084CC..EExtended strand (participates in β ladder)trans-137.9144.2174.6-72.7160.6000110.3Q23 I29 N151 C219 I220Q23-L153 HydrophobicContact CG-CD1 3.43Å; Q23-L153 VanDerWaalsContact CG-CD1 3.43Å; Q23-L153 HydrophobicContact CG-CD2 3.72Å; Q23-L153 HydrophobicContact CG-CG 3.93Å; I29-L153 HydrophobicContact CB-CD1 4.36Å; I29-L153 HydrophobicContact CD1-CB 4.46Å; I29-L153 HydrophobicContact CG1-CB 3.96Å; I29-L153 HydrophobicContact CG1-CD1 3.68Å; I29-L153 HydrophobicContact CG1-CG 4.48Å; N151-L153 PolarHBondContact OD1-O 3.19Å; N151-L153 VanDerWaalsContact OD1-O 3.14Å; L153-C219 WeakPolarHBondContact O-CA 3.39Å; L153-I220 HydrophobicContact CB-CG2 3.81Å; L153-I220 HydrophobicContact CD1-CG2 4.03Å; L153-I220 HydrophobicContact CG-CG2 4.27Å; L153-I220 PolarHBondContact N-O 3.36Å; L153-I220 PolarHBondContact O-N 2.74Å
154G97.8Very high97.5Very high14 Ų1418.1 Ų18.114%0.14410%0.098CC..SBendtrans106.9-162.1169.200000112.8N151 Y198 S199 T217 N218N151-G154 VanDerWaalsContact ND2-C 3.33Å; N151-G154 PolarHBondContact ND2-O 3.03Å; G154-Y198 CarbonylContact O-C 3.58Å; G154-S199 PolarHBondContact N-OG 2.87Å; G154-S199 PolarHBondContact O-N 3.47Å; G154-S199 VanDerWaalsContact O-N 3.08Å; G154-S199 PolarHBondContact O-OG 2.66Å; G154-T217 VanDerWaalsContact CA-OG1 3.25Å; G154-T217 WeakPolarHBondContact CA-OG1 3.38Å; G154-N218 WeakPolarHBondContact CA-O 3.31Å
155H98.5Very high97.6Very high36 Ų3616.9 Ų16.917%0.1679%0.094CC..EExtended strand (participates in β ladder)trans-137.8125.6-177.1167.4-148.1000108.8D196 Q197 Y198 M216 T217 C219H155-D196 IonicContact CD2-OD1 3.9Å; H155-D196 IonicContact CE1-OD1 2.9Å; H155-D196 WeakPolarHBondContact NE2-CB 3.44Å; H155-D196 VanDerWaalsContact NE2-CG 3.27Å; H155-D196 IonicContact NE2-OD1 3.73Å; H155-D196 PolarHBondContact NE2-OD1 3.47Å; H155-Q197 WeakPolarHBondContact CA-O 3.13Å; H155-Y198 HydrophobicContact CB-CD1 4.48Å; H155-Y198 AromaticContact CD2-CE1 3.99Å; H155-M216 HydrophobicContact CB-CB 4.31Å; H155-M216 VanDerWaalsContact ND1-CB 3.3Å; H155-M216 WeakPolarHBondContact ND1-CB 3.42Å; H155-M216 WeakPolarHBondContact O-CA 3.39Å; H155-M216 WeakPolarHBondContact O-CB 3.3Å; H155-M216 PolarHBondContact O-N 2.77Å; H155-T217 HydrophobicContact CB-CG2 4.15Å; H155-T217 PolarHBondContact N-OG1 2.83Å; H155-T217 PolarHBondContact O-N 2.89Å; H155-C219 PolarHBondContact N-SG 3Å; H155-C219 VanDerWaalsContact N-SG 3.37Å; H155-C219 PolarHBondContact O-SG 3.09Å
156K98.8Very high97.5Very high2 Ų217.8 Ų17.81%0.00910%0.098CC..EExtended strand (participates in β ladder)trans-116.7145177.3-56.2-169.5175.4-167.20110.7N151 D196 Q197 V213 V214 N215 C219 S221N151-K156 VanDerWaalsContact OD1-CE 3.28Å; N151-K156 WeakPolarHBondContact OD1-CE 3.16Å; K156-D196 CarbonylContact O-C 3.5Å; K156-D196 WeakPolarHBondContact O-CA 3.47Å; K156-Q197 HydrophobicContact CB-CB 4.35Å; K156-Q197 PolarHBondContact N-O 3.04Å; K156-Q197 PolarHBondContact O-N 2.98Å; K156-V213 HydrophobicContact CB-CG1 4.08Å; K156-V213 HydrophobicContact CD-CG1 4.13Å; K156-V214 CarbonylContact C-O 3.6Å; K156-V214 WeakPolarHBondContact CA-O 3.47Å; K156-N215 WeakPolarHBondContact CD-OD1 3.21Å; K156-N215 VanDerWaalsContact CE-OD1 3.23Å; K156-N215 WeakPolarHBondContact CE-OD1 3.49Å; K156-N215 WeakPolarHBondContact CG-OD1 3.27Å; K156-C219 HydrophobicContact CG-CB 4.43Å; K156-S221 PolarHBondContact NZ-OG 2.86Å
157R98.7Very high97.4Very high79 Ų7925.3 Ų25.330%0.29813%0.126SC..EExtended strand (participates in β ladder)trans-111.2130.7168.4-177162.5-71.6174.8-5.9110.1W159 V194 I195 D196 V213 V214 M216R157-W159 HydrophobicContact CB-CH2 4.19Å; R157-W159 HydrophobicContact CB-CZ3 4.05Å; R157-W159 HydrophobicContact CG-CE3 4.21Å; R157-W159 HydrophobicContact CG-CH2 3.59Å; R157-W159 HydrophobicContact CG-CZ2 4.08Å; R157-W159 HydrophobicContact CG-CZ3 3.65Å; R157-V194 HydrophobicContact CG-CG1 4.01Å; R157-I195 WeakPolarHBondContact CA-O 2.91Å; R157-D196 IonicContact CZ-OD1 3.33Å; R157-D196 IonicContact CZ-OD2 3.47Å; R157-D196 IonicContact NE-OD1 3.31Å; R157-D196 PolarHBondContact NE-OD1 3.41Å; R157-D196 IonicContact NE-OD2 3.46Å; R157-D196 IonicContact NH2-OD1 2.89Å; R157-D196 PolarHBondContact NH2-OD1 3.29Å; R157-D196 VanDerWaalsContact NH2-OD1 3.13Å; R157-D196 IonicContact NH2-OD2 2.66Å; R157-D196 PolarHBondContact NH2-OD2 3.32Å; R157-V213 CarbonylContact O-C 3.59Å; R157-V213 WeakPolarHBondContact O-CA 3.46Å; R157-V214 PolarHBondContact N-O 3.15Å; R157-V214 PolarHBondContact O-N 2.87Å; R157-M216 HydrophobicContact CB-CG 3.71Å; R157-M216 HydrophobicContact CB-SD 3.77Å
158W98.6Very high97.4Very high5 Ų529.3 Ų29.32%0.01914%0.143CC..EExtended strand (participates in β ladder)trans-114.8139.8-179.6-60.569.7000110.4I160 V194 I195 V203 V205 H211 Q212 V213W158-I160 HydrophobicContact CB-CD1 4.03Å; W158-I160 HydrophobicContact CB-CG1 3.88Å; W158-I160 HydrophobicContact CD2-CD1 4.44Å; W158-I160 HydrophobicContact CE3-CD1 4.01Å; W158-I160 HydrophobicContact CE3-CG1 4.34Å; W158-I160 HydrophobicContact CG-CD1 4.5Å; W158-V194 VanDerWaalsContact O-CA 3.25Å; W158-V194 WeakPolarHBondContact O-CA 3.47Å; W158-I195 HydrophobicContact CB-CD1 4.33Å; W158-I195 HydrophobicContact CB-CG1 3.66Å; W158-I195 HydrophobicContact CG-CD1 4.36Å; W158-I195 HydrophobicContact CG-CG1 4.07Å; W158-I195 PolarHBondContact N-O 3.44Å; W158-I195 PolarHBondContact O-N 3.24Å; W158-V203 HydrophobicContact CD2-CG1 4.5Å; W158-V203 HydrophobicContact CE3-CG1 4.48Å; W158-V203 HydrophobicContact CZ2-CB 4.35Å; W158-V205 HydrophobicContact CH2-CG2 4.49Å; W158-V205 HydrophobicContact CZ3-CG2 3.84Å; W158-H211 AromaticContact CZ3-CD2 3.75Å; W158-Q212 WeakPolarHBondContact CA-O 3.37Å; W158-V213 HydrophobicContact CD2-CB 4.4Å; W158-V213 HydrophobicContact CD2-CG1 3.98Å; W158-V213 HydrophobicContact CD2-CG2 3.6Å; W158-V213 HydrophobicContact CE3-CG2 3.29Å; W158-V213 HydrophobicContact CG-CG1 4.26Å; W158-V213 HydrophobicContact CG-CG2 4.34Å; W158-V213 HydrophobicContact CH2-CG2 3.81Å; W158-V213 HydrophobicContact CZ2-CG1 4.12Å; W158-V213 HydrophobicContact CZ2-CG2 4.11Å; W158-V213 HydrophobicContact CZ3-CG2 3.4Å; W158-V213 VanDerWaalsContact CZ3-CG2 3.4Å
159W97.8Very high97.3Very high30 Ų3029.5 Ų29.511%0.11414%0.144CC..EExtended strand (participates in β ladder)trans-111.4121.1160.4-66.2-105.3000107.1R157 F161 I180 R181 Y193 V194 H211 Q212 V214R157-W159 HydrophobicContact CB-CH2 4.19Å; R157-W159 HydrophobicContact CB-CZ3 4.05Å; R157-W159 HydrophobicContact CG-CE3 4.21Å; R157-W159 HydrophobicContact CG-CH2 3.59Å; R157-W159 HydrophobicContact CG-CZ2 4.08Å; R157-W159 HydrophobicContact CG-CZ3 3.65Å; W159-F161 HydrophobicContact CB-CE2 3.75Å; W159-F161 HydrophobicContact CB-CZ 4.38Å; W159-I180 HydrophobicContact CB-CD1 3.88Å; W159-I180 HydrophobicContact CD2-CD1 4.04Å; W159-I180 HydrophobicContact CG-CD1 3.7Å; W159-R181 HydrophobicContact CH2-CG 4.18Å; W159-R181 HydrophobicContact CZ2-CG 4.13Å; W159-Y193 CarbonylContact C-O 3.59Å; W159-Y193 WeakPolarHBondContact CA-O 3.4Å; W159-V194 HydrophobicContact CG-CG2 4.32Å; W159-H211 CarbonylContact O-C 3.45Å; W159-H211 WeakPolarHBondContact O-CA 3.47Å; W159-H211 VanDerWaalsContact O-CB 3.29Å; W159-H211 WeakPolarHBondContact O-CB 3.33Å; W159-Q212 HydrophobicContact CE3-CG 4.45Å; W159-Q212 PolarHBondContact N-O 3.43Å; W159-Q212 PolarHBondContact O-N 2.94Å; W159-V214 HydrophobicContact CH2-CG2 4.15Å; W159-V214 HydrophobicContact CZ3-CB 4.09Å; W159-V214 HydrophobicContact CZ3-CG2 3.63Å
160I97.6Very high97.2Very high0 Ų033.2 Ų33.20%016%0.163CC..EExtended strand (participates in β ladder)trans-129.6133-173.7-44.5-175.5000109.8L5 W158 Y192 Y193 I195 V203 W209 H211L5-I160 HydrophobicContact CD1-CB 4.31Å; L5-I160 HydrophobicContact CD1-CD1 3.88Å; L5-I160 HydrophobicContact CD1-CG1 4.38Å; L5-I160 HydrophobicContact CD2-CB 4.3Å; L5-I160 HydrophobicContact CD2-CD1 4.14Å; L5-I160 HydrophobicContact CD2-CG2 4.07Å; W158-I160 HydrophobicContact CB-CD1 4.03Å; W158-I160 HydrophobicContact CB-CG1 3.88Å; W158-I160 HydrophobicContact CD2-CD1 4.44Å; W158-I160 HydrophobicContact CE3-CD1 4.01Å; W158-I160 HydrophobicContact CE3-CG1 4.34Å; W158-I160 HydrophobicContact CG-CD1 4.5Å; I160-Y192 WeakPolarHBondContact O-CA 3.35Å; I160-Y193 PolarHBondContact N-O 2.9Å; I160-Y193 PolarHBondContact O-N 3.25Å; I160-I195 HydrophobicContact CD1-CD1 4.15Å; I160-I195 HydrophobicContact CD1-CG1 4.47Å; I160-V203 HydrophobicContact CD1-CG1 4.23Å; I160-W209 HydrophobicContact CG2-CB 4.28Å; I160-W209 HydrophobicContact CG2-CE3 3.75Å; I160-H211 HydrophobicContact CB-CB 4.35Å; I160-H211 HydrophobicContact CG1-CB 4.12Å; I160-H211 HydrophobicContact CG2-CB 4.16Å
161F97.1Very high96.9Very high0 Ų036.4 Ų36.40%018%0.18CC..EExtended strand (participates in β ladder)trans-123.9126.3-169.6-62.5-107.7000109.8F138 W159 E165 L169 I180 I184 V190 Y192 W209 Y210F138-F161 HydrophobicContact CD2-CD2 4.35Å; F138-F161 HydrophobicContact CD2-CE2 4.29Å; F138-F161 HydrophobicContact CE2-CB 4.48Å; F138-F161 AromaticContact CE2-CD2 3.32Å; F138-F161 HydrophobicContact CE2-CD2 3.32Å; F138-F161 AromaticContact CE2-CE2 3.56Å; F138-F161 HydrophobicContact CE2-CE2 3.56Å; F138-F161 AromaticContact CE2-CG 3.94Å; F138-F161 HydrophobicContact CE2-CG 3.94Å; F138-F161 HydrophobicContact CE2-CZ 4.38Å; F138-F161 HydrophobicContact CZ-CB 4.44Å; F138-F161 HydrophobicContact CZ-CD1 4.44Å; F138-F161 AromaticContact CZ-CD2 3.86Å; F138-F161 HydrophobicContact CZ-CD2 3.86Å; F138-F161 HydrophobicContact CZ-CE2 4.18Å; F138-F161 HydrophobicContact CZ-CG 4.01Å; W159-F161 HydrophobicContact CB-CE2 3.75Å; W159-F161 HydrophobicContact CB-CZ 4.38Å; F161-E165 HydrophobicContact CB-CB 4.31Å; F161-E165 HydrophobicContact CD1-CB 4.46Å; F161-L169 HydrophobicContact CD1-CD1 4.06Å; F161-L169 HydrophobicContact CE1-CD1 3.73Å; F161-L169 HydrophobicContact CZ-CD1 4.28Å; F161-I180 HydrophobicContact CE2-CG1 4.26Å; F161-I180 HydrophobicContact CZ-CG1 4.34Å; F161-I184 HydrophobicContact CE1-CG2 4.13Å; F161-I184 HydrophobicContact CZ-CG2 3.97Å; F161-V190 HydrophobicContact CD1-CG1 3.84Å; F161-V190 HydrophobicContact CE1-CG1 3.82Å; F161-Y192 VanDerWaalsContact CD1-CB 3.43Å; F161-Y192 HydrophobicContact CD1-CG 4.38Å; F161-Y192 HydrophobicContact CE1-CD1 4.14Å; F161-Y192 AromaticContact CE1-CG 3.79Å; F161-Y192 HydrophobicContact CE1-CG 3.79Å; F161-Y192 HydrophobicContact CZ-CD2 4.31Å; F161-Y192 HydrophobicContact CZ-CG 4.01Å; F161-W209 WeakPolarHBondContact O-CA 3.35Å; F161-Y210 PolarHBondContact N-O 3.08Å; F161-Y210 PolarHBondContact O-N 3Å
162P95.7Very high96.6Very high17 Ų1743.2 Ų43.211%0.1122%0.224CC..  trans-54.9147.3169-22.731.7000111.9G164 E165 K191 Y193 W209P162-G164 PolarHBondContact O-N 2.85Å; P162-E165 HydrophobicContact CB-CG 4.31Å; P162-E165 HydrophobicContact CG-CG 4.46Å; P162-E165 WeakPolarHBondContact O-CB 3.25Å; P162-E165 PolarHBondContact O-N 3.44Å; P162-E165 VanDerWaalsContact O-N 3.14Å; P162-K191 WeakPolarHBondContact CD-O 3.05Å; P162-K191 HydrophobicContact CG-CD 4.25Å; P162-K191 HydrophobicContact CG-CG 4.38Å; P162-Y193 HydrophobicContact CG-CE2 3.99Å; P162-W209 HydrophobicContact CB-CE3 4.41Å; P162-W209 HydrophobicContact CB-CH2 3.97Å; P162-W209 HydrophobicContact CB-CZ2 4.16Å; P162-W209 HydrophobicContact CB-CZ3 4.09Å; P162-W209 HydrophobicContact CG-CE3 4.28Å; P162-W209 HydrophobicContact CG-CH2 3.7Å; P162-W209 HydrophobicContact CG-CZ2 4.4Å; P162-W209 HydrophobicContact CG-CZ3 3.63Å
163P95.2Very high96.3Very high72 Ų7248 Ų4847%0.46825%0.25SS..THydrogen-bonded Turntrans-53.5135.5176.1-25.232.2000111.9W209P163-W209 VanDerWaalsContact CD-CD1 3.45Å; P163-W209 VanDerWaalsContact CD-NE1 3.3Å; P163-W209 HydrophobicContact CG-CG 4.35Å
164G95.5Very high96.1Very high30 Ų3050 Ų5031%0.30927%0.273SS..THydrogen-bonded Turntrans96.5-24.2-176.100000114.1P162 E166 R167P162-G164 PolarHBondContact O-N 2.85Å; G164-E166 VanDerWaalsContact C-N 3.32Å; G164-E166 VanDerWaalsContact C-OE2 3.28Å; G164-E166 VanDerWaalsContact CA-OE2 3.28Å; G164-E166 WeakPolarHBondContact CA-OE2 3.39Å; G164-E166 PolarHBondContact N-OE1 2.76Å; G164-E166 PolarHBondContact N-OE2 3.04Å; G164-R167 WeakPolarHBondContact O-CB 3.23Å; G164-R167 PolarHBondContact O-N 3.14Å
165E96.6Very high95.8Very high31 Ų3153.8 Ų53.815%0.14529%0.287CS..G310 helixtrans-71.7-28.3178.7-67.4-65.3142.100112.3F161 P162 R167 K168 V190 K191F161-E165 HydrophobicContact CB-CB 4.31Å; F161-E165 HydrophobicContact CD1-CB 4.46Å; P162-E165 HydrophobicContact CB-CG 4.31Å; P162-E165 HydrophobicContact CG-CG 4.46Å; P162-E165 WeakPolarHBondContact O-CB 3.25Å; P162-E165 PolarHBondContact O-N 3.44Å; P162-E165 VanDerWaalsContact O-N 3.14Å; E165-R167 PolarHBondContact O-N 3.33Å; E165-K168 WeakPolarHBondContact O-CB 3.36Å; E165-K168 PolarHBondContact O-N 2.86Å; E165-K168 VanDerWaalsContact O-N 3.15Å; E165-K168 IonicContact OE1-NZ 3.04Å; E165-K168 PolarHBondContact OE1-NZ 3.11Å; E165-K168 WeakPolarHBondContact OE2-CE 3.39Å; E165-K168 IonicContact OE2-NZ 3.51Å; E165-K168 PolarHBondContact OE2-NZ 2.68Å; E165-V190 HydrophobicContact CB-CG1 4.23Å; E165-V190 WeakPolarHBondContact OE2-CA 3.37Å; E165-K191 HydrophobicContact CG-CB 4.12Å; E165-K191 WeakPolarHBondContact CG-O 3.42Å; E165-K191 PolarHBondContact OE2-N 3.44Å
166E95.9Very high95.5Very high18 Ų1854 Ų548%0.08429%0.289CS..G310 helixtrans-60-28.7174.680.3-73.1167.600112.3F138 G164 K168 L169 L170 I176 Y210F138-E166 HydrophobicContact CE1-CB 4.09Å; F138-E166 HydrophobicContact CZ-CB 4.1Å; G164-E166 VanDerWaalsContact C-N 3.32Å; G164-E166 VanDerWaalsContact C-OE2 3.28Å; G164-E166 VanDerWaalsContact CA-OE2 3.28Å; G164-E166 WeakPolarHBondContact CA-OE2 3.39Å; G164-E166 PolarHBondContact N-OE1 2.76Å; G164-E166 PolarHBondContact N-OE2 3.04Å; E166-K168 PolarHBondContact O-N 3.43Å; E166-L169 WeakPolarHBondContact O-CA 3.27Å; E166-L169 WeakPolarHBondContact O-CB 3.3Å; E166-L169 PolarHBondContact O-N 2.98Å; E166-L170 PolarHBondContact O-N 3.05Å; E166-I176 HydrophobicContact CB-CD1 3.83Å; E166-I176 HydrophobicContact CG-CD1 3.77Å; E166-Y210 HydrophobicContact CB-CD1 4.14Å; E166-Y210 HydrophobicContact CB-CD2 3.8Å; E166-Y210 HydrophobicContact CB-CE1 4.47Å; E166-Y210 HydrophobicContact CB-CE2 4.15Å; E166-Y210 HydrophobicContact CB-CG 3.8Å; E166-Y210 HydrophobicContact CG-CD1 4.44Å; E166-Y210 HydrophobicContact CG-CD2 3.65Å; E166-Y210 HydrophobicContact CG-CE1 4.34Å; E166-Y210 HydrophobicContact CG-CE2 3.52Å; E166-Y210 HydrophobicContact CG-CG 4.13Å
167R96.3Very high95.3Very high179 Ų17954.2 Ų54.268%0.67529%0.29SS*.G310 helixtrans-65.7-26.8-180-60.4-178.2-178.7-104.22.6112.4G164 E165 L169 L170G164-R167 WeakPolarHBondContact O-CB 3.23Å; G164-R167 PolarHBondContact O-N 3.14Å; E165-R167 PolarHBondContact O-N 3.33Å; R167-L169 PolarHBondContact O-N 3.46Å; R167-L170 HydrophobicContact CB-CD1 4.39Å; R167-L170 WeakPolarHBondContact O-CD1 3.28Å; R167-L170 WeakPolarHBondContact O-CG 3.42Å
168K96.5Very high95.2Very high89 Ų8951.5 Ų51.539%0.38728%0.281SS..G310 helixtrans-78-11175.4-57.5175.8-174.8166.40112.5E165 E166 R187 D189 V190E165-K168 WeakPolarHBondContact O-CB 3.36Å; E165-K168 PolarHBondContact O-N 2.86Å; E165-K168 VanDerWaalsContact O-N 3.15Å; E165-K168 IonicContact OE1-NZ 3.04Å; E165-K168 PolarHBondContact OE1-NZ 3.11Å; E165-K168 WeakPolarHBondContact OE2-CE 3.39Å; E165-K168 IonicContact OE2-NZ 3.51Å; E165-K168 PolarHBondContact OE2-NZ 2.68Å; E166-K168 PolarHBondContact O-N 3.43Å; K168-R187 PolarHBondContact O-NH1 3.06Å; K168-R187 PolarHBondContact O-NH2 3.08Å; K168-D189 WeakPolarHBondContact CD-O 3.45Å; K168-D189 PolarHBondContact NZ-O 2.94Å; K168-V190 HydrophobicContact CB-CG2 3.94Å; K168-V190 HydrophobicContact CD-CG2 4.21Å
169L96Very high95.1Very high4 Ų453.2 Ų53.22%0.02129%0.29CS..G310 helixtrans-101.3-2.8-179.8-59.4178.3000112.5F138 F161 E166 R167 L171 P177 I180 V183 I184 V190F138-L169 HydrophobicContact CE1-CD1 3.82Å; F138-L169 HydrophobicContact CZ-CD1 3.88Å; F161-L169 HydrophobicContact CD1-CD1 4.06Å; F161-L169 HydrophobicContact CE1-CD1 3.73Å; F161-L169 HydrophobicContact CZ-CD1 4.28Å; E166-L169 WeakPolarHBondContact O-CA 3.27Å; E166-L169 WeakPolarHBondContact O-CB 3.3Å; E166-L169 PolarHBondContact O-N 2.98Å; R167-L169 PolarHBondContact O-N 3.46Å; L169-L171 PolarHBondContact O-N 2.88Å; L169-P177 HydrophobicContact CB-CG 4.1Å; L169-P177 WeakPolarHBondContact O-CD 3.46Å; L169-I180 HydrophobicContact CD1-CG2 4.18Å; L169-V183 HydrophobicContact CD2-CG1 4.14Å; L169-I184 HydrophobicContact CD1-CG2 4.26Å; L169-I184 HydrophobicContact CD2-CG2 4.02Å; L169-V190 HydrophobicContact CD1-CG1 4.44Å; L169-V190 HydrophobicContact CD2-CG1 4.27Å; L169-V190 HydrophobicContact CD2-CG2 3.87Å; L169-V190 HydrophobicContact CG-CG1 4.36Å
170L95.4Very high95Very high79 Ų7951.8 Ų51.841%0.41429%0.285SS..  trans-54.4133-179.9-65.9171.2000111.3E166 R167 G174 Q175 I176E166-L170 PolarHBondContact O-N 3.05Å; R167-L170 HydrophobicContact CB-CD1 4.39Å; R167-L170 WeakPolarHBondContact O-CD1 3.28Å; R167-L170 WeakPolarHBondContact O-CG 3.42Å; L170-G174 WeakPolarHBondContact CD2-O 3.25Å; L170-Q175 WeakPolarHBondContact CA-O 3.17Å; L170-I176 HydrophobicContact CD2-CD1 3.51Å; L170-I176 HydrophobicContact CD2-CG1 4.03Å; L170-I176 HydrophobicContact CG-CD1 4.46Å
171L92.9Very high94.9Very high66 Ų6655.9 Ų55.935%0.34630%0.3SS..  trans-70.6163.8172.1-62.5178.3000110.3L169 N173 G174 Q175 P177L169-L171 PolarHBondContact O-N 2.88Å; L171-N173 WeakPolarHBondContact CB-OD1 3.44Å; L171-N173 PolarHBondContact O-N 3.49Å; L171-G174 PolarHBondContact O-N 3.5Å; L171-Q175 WeakPolarHBondContact CB-O 3.16Å; L171-Q175 PolarHBondContact N-O 2.9Å; L171-P177 HydrophobicContact CD2-CB 4.25Å; L171-P177 HydrophobicContact CG-CB 4.36Å
172P92.6Very high94.7Very high144 Ų14460.5 Ų60.594%0.93533%0.333SS*.THydrogen-bonded Turntrans-55.7-24.4179.5-28.536.3000115.1G174P172-G174 VanDerWaalsContact C-N 3.29Å
173N92.1Very high94.5Very high103 Ų10362 Ų6255%0.55134%0.341SS*.THydrogen-bonded Turntrans-85.96176.268.6-6.3000113.7L171 Q175L171-N173 WeakPolarHBondContact CB-OD1 3.44Å; L171-N173 PolarHBondContact O-N 3.49Å; N173-Q175 VanDerWaalsContact C-N 3.28Å; N173-Q175 PolarHBondContact ND2-OE1 3.38Å; N173-Q175 PolarHBondContact O-N 2.86Å; N173-Q175 VanDerWaalsContact OD1-CB 3.32Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.41Å; N173-Q175 PolarHBondContact OD1-N 3.3Å
174G91.8Very high94.5Very high52 Ų5258.9 Ų58.954%0.53632%0.321SS..SBendtrans77.95.8-178.600000114.8L170 L171 P172L170-G174 WeakPolarHBondContact CD2-O 3.25Å; L171-G174 PolarHBondContact O-N 3.5Å; P172-G174 VanDerWaalsContact C-N 3.29Å
175Q91.6Very high94.1Very high94 Ų9464.9 Ų64.944%0.43934%0.338SS..PPolyproline II helixtrans-88.1154.2176.5-63.7-176-43.700111.8L170 L171 N173L170-Q175 WeakPolarHBondContact CA-O 3.17Å; L171-Q175 WeakPolarHBondContact CB-O 3.16Å; L171-Q175 PolarHBondContact N-O 2.9Å; N173-Q175 VanDerWaalsContact C-N 3.28Å; N173-Q175 PolarHBondContact ND2-OE1 3.38Å; N173-Q175 PolarHBondContact O-N 2.86Å; N173-Q175 VanDerWaalsContact OD1-CB 3.32Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.41Å; N173-Q175 PolarHBondContact OD1-N 3.3Å
176I93.3Very high93.7Very high41 Ų4169.9 Ų69.921%0.2137%0.366CS..PPolyproline II helixtrans-73.4138.6169.4-64.3-72000108.7F138 E166 L170 Y210F138-I176 HydrophobicContact CD1-CG2 3.25Å; F138-I176 HydrophobicContact CE1-CG2 3.67Å; F138-I176 HydrophobicContact CG-CG2 4.29Å; E166-I176 HydrophobicContact CB-CD1 3.83Å; E166-I176 HydrophobicContact CG-CD1 3.77Å; L170-I176 HydrophobicContact CD2-CD1 3.51Å; L170-I176 HydrophobicContact CD2-CG1 4.03Å; L170-I176 HydrophobicContact CG-CD1 4.46Å; I176-Y210 HydrophobicContact CD1-CE1 4.34Å; I176-Y210 HydrophobicContact CG1-CE1 4.16Å; I176-Y210 HydrophobicContact CG2-CD1 4.39Å; I176-Y210 HydrophobicContact CG2-CE1 4.21Å
177P95.1Very high93.5Very high5 Ų572.5 Ų72.53%0.03238%0.375CS..PPolyproline II helixtrans-63.6137.1177.124.7-34.8000110.9F138 L169 L171 I180 V183F138-P177 WeakPolarHBondContact CB-O 3.24Å; F138-P177 HydrophobicContact CD1-CG 4.24Å; L169-P177 HydrophobicContact CB-CG 4.1Å; L169-P177 WeakPolarHBondContact O-CD 3.46Å; L171-P177 HydrophobicContact CD2-CB 4.25Å; L171-P177 HydrophobicContact CG-CB 4.36Å; P177-I180 HydrophobicContact CG-CG2 3.8Å; P177-V183 HydrophobicContact CB-CG2 4.21Å
178F95.6Very high93.3Very high23 Ų2373.9 Ų73.910%0.10139%0.386CS..SBendtrans-66.2-42.6179.3-176.6-110.7000112.8I51 N54 H56 W135 P137 F138I51-F178 HydrophobicContact CB-CE1 4.44Å; I51-F178 HydrophobicContact CD1-CD1 3.96Å; I51-F178 HydrophobicContact CD1-CE1 3.86Å; I51-F178 HydrophobicContact CG1-CD1 4.39Å; I51-F178 HydrophobicContact CG1-CE1 3.85Å; I51-F178 HydrophobicContact CG2-CD1 3.96Å; I51-F178 HydrophobicContact CG2-CE1 3.83Å; I51-F178 HydrophobicContact CG2-CZ 4.44Å; N54-F178 HydrophobicContact CB-CB 4.19Å; N54-F178 HydrophobicContact CB-CD2 3.87Å; N54-F178 HydrophobicContact CB-CG 4.21Å; N54-F178 WeakPolarHBondContact O-CD2 3.44Å; N54-F178 WeakPolarHBondContact O-CE2 3.15Å; H56-F178 AromaticContact CD2-CE1 3.99Å; H56-F178 AromaticContact CD2-CZ 3.63Å; H56-F178 AromaticContact NE2-CE1 3.69Å; H56-F178 AromaticContact NE2-CZ 3.53Å; W135-F178 AromaticContact CH2-CD1 3.56Å; W135-F178 HydrophobicContact CH2-CD1 3.56Å; W135-F178 AromaticContact CH2-CE1 3.31Å; W135-F178 HydrophobicContact CH2-CE1 3.31Å; W135-F178 HydrophobicContact CH2-CG 4.49Å; W135-F178 HydrophobicContact CH2-CZ 4.09Å; W135-F178 HydrophobicContact CZ2-CD1 4.24Å; W135-F178 AromaticContact CZ2-CE1 3.65Å; W135-F178 HydrophobicContact CZ2-CE1 3.65Å; W135-F178 HydrophobicContact CZ2-CZ 4.43Å; W135-F178 HydrophobicContact CZ3-CE1 4.36Å; P137-F178 WeakPolarHBondContact CA-O 3.39Å; P137-F178 HydrophobicContact CB-CD2 3.64Å; P137-F178 HydrophobicContact CB-CE2 3.42Å; P137-F178 VanDerWaalsContact CB-CE2 3.42Å; P137-F178 HydrophobicContact CB-CG 4.42Å; P137-F178 HydrophobicContact CB-CZ 4.03Å; P137-F178 HydrophobicContact CG-CD2 3.91Å; P137-F178 HydrophobicContact CG-CE1 4.35Å; P137-F178 HydrophobicContact CG-CE2 3.12Å; P137-F178 HydrophobicContact CG-CZ 3.41Å; P137-F178 VanDerWaalsContact CG-CZ 3.41Å; F138-F178 PolarHBondContact N-O 3.21Å
179D96.2Very high93.3Very high41 Ų4173.7 Ų73.722%0.21939%0.389CS..  trans-123.5117.8176.3-175.5-4.6000110.1W135 R181 Q212W135-D179 HydrophobicContact CH2-CB 3.74Å; W135-D179 HydrophobicContact CZ3-CB 3.97Å; D179-R181 WeakPolarHBondContact OD1-CB 3.34Å; D179-R181 WeakPolarHBondContact OD1-CG 3.35Å; D179-R181 IonicContact OD1-CZ 3.65Å; D179-R181 PolarHBondContact OD1-N 3.41Å; D179-R181 IonicContact OD1-NE 2.76Å; D179-R181 PolarHBondContact OD1-NE 2.93Å; D179-R181 IonicContact OD1-NH2 3.62Å; D179-R181 IonicContact OD2-CZ 3.77Å; D179-R181 VanDerWaalsContact OD2-CZ 3.25Å; D179-R181 IonicContact OD2-NE 3.07Å; D179-R181 PolarHBondContact OD2-NE 2.73Å; D179-R181 IonicContact OD2-NH2 3.31Å; D179-R181 PolarHBondContact OD2-NH2 3.47Å; D179-Q212 PolarHBondContact OD1-NE2 3.29Å; D179-Q212 PolarHBondContact OD1-OE1 3.27Å
180I96.2Very high93.3Very high0 Ų073.9 Ų73.90%039%0.391CS..  trans-84-12.5-179.153.352.6000114.4F138 W159 F161 L169 P177 S182 V183 I184 Q212F138-I180 HydrophobicContact CB-CG1 4.36Å; F138-I180 HydrophobicContact CB-CG2 3.75Å; F138-I180 HydrophobicContact CD1-CG2 3.37Å; F138-I180 HydrophobicContact CD2-CG1 4.07Å; F138-I180 HydrophobicContact CD2-CG2 3.89Å; F138-I180 HydrophobicContact CE1-CG2 3.88Å; F138-I180 HydrophobicContact CE2-CG2 4.31Å; F138-I180 HydrophobicContact CG-CB 4.47Å; F138-I180 HydrophobicContact CG-CG1 4.25Å; F138-I180 HydrophobicContact CG-CG2 3.4Å; F138-I180 VanDerWaalsContact CG-CG2 3.4Å; F138-I180 HydrophobicContact CZ-CG2 4.32Å; W159-I180 HydrophobicContact CB-CD1 3.88Å; W159-I180 HydrophobicContact CD2-CD1 4.04Å; W159-I180 HydrophobicContact CG-CD1 3.7Å; F161-I180 HydrophobicContact CE2-CG1 4.26Å; F161-I180 HydrophobicContact CZ-CG1 4.34Å; L169-I180 HydrophobicContact CD1-CG2 4.18Å; P177-I180 HydrophobicContact CG-CG2 3.8Å; I180-S182 VanDerWaalsContact C-N 3.34Å; I180-S182 PolarHBondContact O-N 3.25Å; I180-V183 WeakPolarHBondContact O-CB 3.32Å; I180-V183 PolarHBondContact O-N 3.21Å; I180-I184 HydrophobicContact CB-CG2 4Å; I180-I184 HydrophobicContact CD1-CG1 4.3Å; I180-I184 WeakPolarHBondContact O-CG1 3.03Å; I180-I184 PolarHBondContact O-N 3.03Å; I180-Q212 HydrophobicContact CD1-CB 4.06Å; I180-Q212 HydrophobicContact CD1-CG 4.13Å; I180-Q212 HydrophobicContact CG1-CB 3.97Å; I180-Q212 HydrophobicContact CG1-CG 4.41Å; I180-Q212 VanDerWaalsContact CG1-OE1 3.32Å
181R95Very high93.2Very high85 Ų8575.5 Ų75.532%0.32139%0.394SS..THydrogen-bonded Turntrans-61-40.7-165.1-72171.6-67.2-169.6-2.8113.1W159 D179W159-R181 HydrophobicContact CH2-CG 4.18Å; W159-R181 HydrophobicContact CZ2-CG 4.13Å; D179-R181 WeakPolarHBondContact OD1-CB 3.34Å; D179-R181 WeakPolarHBondContact OD1-CG 3.35Å; D179-R181 IonicContact OD1-CZ 3.65Å; D179-R181 PolarHBondContact OD1-N 3.41Å; D179-R181 IonicContact OD1-NE 2.76Å; D179-R181 PolarHBondContact OD1-NE 2.93Å; D179-R181 IonicContact OD1-NH2 3.62Å; D179-R181 IonicContact OD2-CZ 3.77Å; D179-R181 VanDerWaalsContact OD2-CZ 3.25Å; D179-R181 IonicContact OD2-NE 3.07Å; D179-R181 PolarHBondContact OD2-NE 2.73Å; D179-R181 IonicContact OD2-NH2 3.31Å; D179-R181 PolarHBondContact OD2-NH2 3.47Å
182S92.4Very high93.4Very high98 Ų9875.7 Ų75.769%0.68539%0.391SS*.THydrogen-bonded Turntrans-79.3-31.5174.856.10000112.3I180I180-S182 VanDerWaalsContact C-N 3.34Å; I180-S182 PolarHBondContact O-N 3.25Å
183V92.5Very high93.5Very high48 Ų4871.5 Ų71.529%0.29136%0.357SS..THydrogen-bonded Turntrans-69.3-37.7-176.3-178.70000112.2L169 P177 I180 R187L169-V183 HydrophobicContact CD2-CG1 4.14Å; P177-V183 HydrophobicContact CB-CG2 4.21Å; I180-V183 WeakPolarHBondContact O-CB 3.32Å; I180-V183 PolarHBondContact O-N 3.21Å; V183-R187 WeakPolarHBondContact O-CG 3.37Å
184I94.1Very high93.7Very high7 Ų769.9 Ų69.94%0.03635%0.351CS..SBendtrans-94.8-10.3-170.161.394.6000114.7F161 L169 I180 D186 R187 Y192F161-I184 HydrophobicContact CE1-CG2 4.13Å; F161-I184 HydrophobicContact CZ-CG2 3.97Å; L169-I184 HydrophobicContact CD1-CG2 4.26Å; L169-I184 HydrophobicContact CD2-CG2 4.02Å; I180-I184 HydrophobicContact CB-CG2 4Å; I180-I184 HydrophobicContact CD1-CG1 4.3Å; I180-I184 WeakPolarHBondContact O-CG1 3.03Å; I180-I184 PolarHBondContact O-N 3.03Å; I184-D186 PolarHBondContact O-N 3.04Å; I184-R187 PolarHBondContact O-N 2.64Å; I184-R187 VanDerWaalsContact O-N 3.12Å; I184-Y192 HydrophobicContact CD1-CE2 3.82Å
185K88.7Confident93.9Very high156 Ų15668.7 Ų68.768%0.67833%0.331SS*.THydrogen-bonded Turntrans-50.5-39.3-169.7-173.6178.8176.3-176.30113.7
186D87.2Confident94.2Very high136 Ų13666.4 Ų66.473%0.72732%0.323SS*.THydrogen-bonded Turntrans-118.610-176.7-58.3-55.6000113.4I184 K188I184-D186 PolarHBondContact O-N 3.04Å; D186-K188 PolarHBondContact O-N 2.68Å
187R91.9Very high94.5Very high72 Ų7264.5 Ų64.527%0.27231%0.313SS..  trans-80.1114.9-179.2-67.1-67-63.6-862110.6K168 V183 I184 D189 V190K168-R187 PolarHBondContact O-NH1 3.06Å; K168-R187 PolarHBondContact O-NH2 3.08Å; V183-R187 WeakPolarHBondContact O-CG 3.37Å; I184-R187 PolarHBondContact O-N 2.64Å; I184-R187 VanDerWaalsContact O-N 3.12Å; R187-D189 IonicContact CZ-OD1 3.55Å; R187-D189 IonicContact CZ-OD2 2.68Å; R187-D189 IonicContact NE-OD1 3.06Å; R187-D189 PolarHBondContact NE-OD1 3.24Å; R187-D189 IonicContact NE-OD2 3.82Å; R187-D189 IonicContact NH2-OD1 3.73Å; R187-D189 IonicContact NH2-OD2 3.73Å; R187-D189 PolarHBondContact NH2-OD2 3.44Å; R187-V190 HydrophobicContact CB-CB 4.41Å; R187-V190 HydrophobicContact CB-CG2 4.14Å
188K92.5Very high94.6Very high208 Ų20870.1 Ų70.190%0.90433%0.334SS*.SBendtrans-101.2-14.6177.2-64.4-177-179.61780113.6D186D186-K188 PolarHBondContact O-N 2.68Å
189D95.8Very high94.7Very high86 Ų8671.7 Ų71.746%0.4635%0.348SS..SBendtrans-87.1-8.2-179.763.8-57.5000113.1K168 R187K168-D189 WeakPolarHBondContact CD-O 3.45Å; K168-D189 PolarHBondContact NZ-O 2.94Å; R187-D189 IonicContact CZ-OD1 3.55Å; R187-D189 IonicContact CZ-OD2 2.68Å; R187-D189 IonicContact NE-OD1 3.06Å; R187-D189 PolarHBondContact NE-OD1 3.24Å; R187-D189 IonicContact NE-OD2 3.82Å; R187-D189 IonicContact NH2-OD1 3.73Å; R187-D189 IonicContact NH2-OD2 3.73Å; R187-D189 PolarHBondContact NH2-OD2 3.44Å
190V96Very high94.8Very high8 Ų870.1 Ų70.15%0.04834%0.342CS..SBendtrans-106.6124.5179.9-173.70000109.3F161 E165 K168 L169 R187 Y192F161-V190 HydrophobicContact CD1-CG1 3.84Å; F161-V190 HydrophobicContact CE1-CG1 3.82Å; E165-V190 HydrophobicContact CB-CG1 4.23Å; E165-V190 WeakPolarHBondContact OE2-CA 3.37Å; K168-V190 HydrophobicContact CB-CG2 3.94Å; K168-V190 HydrophobicContact CD-CG2 4.21Å; L169-V190 HydrophobicContact CD1-CG1 4.44Å; L169-V190 HydrophobicContact CD2-CG1 4.27Å; L169-V190 HydrophobicContact CD2-CG2 3.87Å; L169-V190 HydrophobicContact CG-CG1 4.36Å; R187-V190 HydrophobicContact CB-CB 4.41Å; R187-V190 HydrophobicContact CB-CG2 4.14Å; V190-Y192 WeakPolarHBondContact O-CD1 3.49Å
191K94.7Very high94.9Very high112 Ų11271.5 Ų71.549%0.48735%0.348SS..  trans-85.6123.9173.8-178.6-179.9174.8-172.80109.2P162 E165 Y193P162-K191 WeakPolarHBondContact CD-O 3.05Å; P162-K191 HydrophobicContact CG-CD 4.25Å; P162-K191 HydrophobicContact CG-CG 4.38Å; E165-K191 HydrophobicContact CG-CB 4.12Å; E165-K191 WeakPolarHBondContact CG-O 3.42Å; E165-K191 PolarHBondContact OE2-N 3.44Å; K191-Y193 WeakPolarHBondContact CE-OH 3.46Å; K191-Y193 PolarHBondContact NZ-OH 2.77Å
192Y95.4Very high95.1Very high70 Ų7067.5 Ų67.528%0.27533%0.333SS..  trans-151.7169175.368.3-82.5000110.9I160 F161 I184 V190 V194I160-Y192 WeakPolarHBondContact O-CA 3.35Å; F161-Y192 VanDerWaalsContact CD1-CB 3.43Å; F161-Y192 HydrophobicContact CD1-CG 4.38Å; F161-Y192 HydrophobicContact CE1-CD1 4.14Å; F161-Y192 AromaticContact CE1-CG 3.79Å; F161-Y192 HydrophobicContact CE1-CG 3.79Å; F161-Y192 HydrophobicContact CZ-CD2 4.31Å; F161-Y192 HydrophobicContact CZ-CG 4.01Å; I184-Y192 HydrophobicContact CD1-CE2 3.82Å; V190-Y192 WeakPolarHBondContact O-CD1 3.49Å; Y192-V194 HydrophobicContact CD2-CG2 3.77Å; Y192-V194 HydrophobicContact CE2-CG2 3.45Å; Y192-V194 VanDerWaalsContact CE2-CG2 3.45Å
193Y95.2Very high95.4Very high57 Ų5762.9 Ų62.922%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-124.2139.1178.1-58.7-90.7000109L5 W159 I160 P162 K191 W209L5-Y193 HydrophobicContact CD1-CD1 4.4Å; L5-Y193 HydrophobicContact CD1-CD2 4.36Å; L5-Y193 HydrophobicContact CD1-CG 3.82Å; L5-Y193 HydrophobicContact CD2-CD2 4.47Å; L5-Y193 HydrophobicContact CG-CD1 4.41Å; L5-Y193 HydrophobicContact CG-CD2 4.26Å; L5-Y193 HydrophobicContact CG-CG 4.02Å; W159-Y193 CarbonylContact C-O 3.59Å; W159-Y193 WeakPolarHBondContact CA-O 3.4Å; I160-Y193 PolarHBondContact N-O 2.9Å; I160-Y193 PolarHBondContact O-N 3.25Å; P162-Y193 HydrophobicContact CG-CE2 3.99Å; K191-Y193 WeakPolarHBondContact CE-OH 3.46Å; K191-Y193 PolarHBondContact NZ-OH 2.77Å; Y193-W209 HydrophobicContact CD2-CZ3 4.02Å; Y193-W209 HydrophobicContact CE2-CH2 4.13Å; Y193-W209 AromaticContact CE2-CZ3 3.79Å; Y193-W209 HydrophobicContact CE2-CZ3 3.79Å
194V95.9Very high95.6Very high69 Ų6962.6 Ų62.642%0.41830%0.295SS..EExtended strand (participates in β ladder)trans-116.1123.6170.4-173.30000108.1R157 W158 W159 Y192R157-V194 HydrophobicContact CG-CG1 4.01Å; W158-V194 VanDerWaalsContact O-CA 3.25Å; W158-V194 WeakPolarHBondContact O-CA 3.47Å; W159-V194 HydrophobicContact CG-CG2 4.32Å; Y192-V194 HydrophobicContact CD2-CG2 3.77Å; Y192-V194 HydrophobicContact CE2-CG2 3.45Å; Y192-V194 VanDerWaalsContact CE2-CG2 3.45Å
195I97.1Very high95.8Very high26 Ų2662.2 Ų62.213%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-130.7146.4179.865.2164.8000110.6L5 I7 R157 W158 I160 V203L5-I195 HydrophobicContact CD1-CD1 4.22Å; L5-I195 HydrophobicContact CD1-CG1 4.42Å; L5-I195 HydrophobicContact CD1-CG2 3.67Å; I7-I195 HydrophobicContact CD1-CB 4.09Å; I7-I195 HydrophobicContact CD1-CD1 3.5Å; I7-I195 VanDerWaalsContact CD1-CD1 3.5Å; I7-I195 HydrophobicContact CD1-CG1 4.37Å; I7-I195 HydrophobicContact CD1-CG2 4.06Å; I7-I195 HydrophobicContact CG1-CD1 3.87Å; R157-I195 WeakPolarHBondContact CA-O 2.91Å; W158-I195 HydrophobicContact CB-CD1 4.33Å; W158-I195 HydrophobicContact CB-CG1 3.66Å; W158-I195 HydrophobicContact CG-CD1 4.36Å; W158-I195 HydrophobicContact CG-CG1 4.07Å; W158-I195 PolarHBondContact N-O 3.44Å; W158-I195 PolarHBondContact O-N 3.24Å; I160-I195 HydrophobicContact CD1-CD1 4.15Å; I160-I195 HydrophobicContact CD1-CG1 4.47Å; I195-V203 HydrophobicContact CD1-CG1 4.09Å; I195-V203 HydrophobicContact CD1-CG2 3.79Å
196D98.3Very high96.1Very high47 Ų4756.3 Ų56.325%0.25127%0.271SS..EExtended strand (participates in β ladder)trans-102.5123169-74.3-55.7000108.4H155 K156 R157 Y198H155-D196 IonicContact CD2-OD1 3.9Å; H155-D196 IonicContact CE1-OD1 2.9Å; H155-D196 WeakPolarHBondContact NE2-CB 3.44Å; H155-D196 VanDerWaalsContact NE2-CG 3.27Å; H155-D196 IonicContact NE2-OD1 3.73Å; H155-D196 PolarHBondContact NE2-OD1 3.47Å; K156-D196 CarbonylContact O-C 3.5Å; K156-D196 WeakPolarHBondContact O-CA 3.47Å; R157-D196 IonicContact CZ-OD1 3.33Å; R157-D196 IonicContact CZ-OD2 3.47Å; R157-D196 IonicContact NE-OD1 3.31Å; R157-D196 PolarHBondContact NE-OD1 3.41Å; R157-D196 IonicContact NE-OD2 3.46Å; R157-D196 IonicContact NH2-OD1 2.89Å; R157-D196 PolarHBondContact NH2-OD1 3.29Å; R157-D196 VanDerWaalsContact NH2-OD1 3.13Å; R157-D196 IonicContact NH2-OD2 2.66Å; R157-D196 PolarHBondContact NH2-OD2 3.32Å; D196-Y198 HydrophobicContact CB-CE2 4.08Å
197Q98.5Very high96.6Very high1 Ų150.3 Ų50.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-105.1123.9177.4178.7-169.520.800109.1S149 N151 H155 K156 Q201 V203S149-Q197 PolarHBondContact O-NE2 3.39Å; N151-Q197 HydrophobicContact CB-CG 3.91Å; H155-Q197 WeakPolarHBondContact CA-O 3.13Å; K156-Q197 HydrophobicContact CB-CB 4.35Å; K156-Q197 PolarHBondContact N-O 3.04Å; K156-Q197 PolarHBondContact O-N 2.98Å; Q197-Q201 HydrophobicContact CG-CB 4.05Å; Q197-Q201 PolarHBondContact NE2-O 2.9Å; Q197-V203 HydrophobicContact CB-CG2 4.05Å; Q197-V203 HydrophobicContact CG-CG2 3.88Å
198Y98.5Very high96.8Very high123 Ų12347.5 Ų47.548%0.48223%0.234SC..EExtended strand (participates in β ladder)trans-101.3171.3-178.9-60-79.6000112.3G154 H155 D196 Q201G154-Y198 CarbonylContact O-C 3.58Å; H155-Y198 HydrophobicContact CB-CD1 4.48Å; H155-Y198 AromaticContact CD2-CE1 3.99Å; D196-Y198 HydrophobicContact CB-CE2 4.08Å; Y198-Q201 WeakPolarHBondContact O-CB 3.27Å; Y198-Q201 PolarHBondContact O-N 3.01Å
199S97.9Very high97.1Very high56 Ų5640.1 Ų40.139%0.39220%0.2SC..THydrogen-bonded Turntrans-51.3137.9175.2-55.60000112N151 G154 Q201N151-S199 CarbonylContact O-C 3.54Å; G154-S199 PolarHBondContact N-OG 2.87Å; G154-S199 PolarHBondContact O-N 3.47Å; G154-S199 VanDerWaalsContact O-N 3.08Å; G154-S199 PolarHBondContact O-OG 2.66Å; S199-Q201 PolarHBondContact O-N 2.77Å
200G97.7Very high97.2Very high8 Ų837.6 Ų37.68%0.08218%0.184CC..THydrogen-bonded Turntrans81-16.8-177.200000115.3S10 T13 N151S10-G200 WeakPolarHBondContact CA-O 3.08Å; T13-G200 VanDerWaalsContact CG2-O 3.3Å; T13-G200 WeakPolarHBondContact CG2-O 3.4Å; T13-G200 WeakPolarHBondContact OG1-CA 3.17Å; T13-G200 PolarHBondContact OG1-O 3.23Å; N151-G200 WeakPolarHBondContact O-CA 3.22Å; N151-G200 PolarHBondContact O-N 3.21Å
201Q98.3Very high97.3Very high29 Ų2937.5 Ų37.514%0.13618%0.183CC..  trans-81.5149.4-175.7-59.3-171.2-40.300112.2F8 D9 A150 N151 Q197 Y198 S199F8-Q201 CarbonylContact O-C 3.58Å; F8-Q201 VanDerWaalsContact O-CA 3.29Å; F8-Q201 WeakPolarHBondContact O-CA 3.42Å; F8-Q201 WeakPolarHBondContact O-CB 3.34Å; D9-Q201 PolarHBondContact OD1-NE2 3.25Å; D9-Q201 VanDerWaalsContact OD1-NE2 3.17Å; A150-Q201 WeakPolarHBondContact CA-O 3.27Å; N151-Q201 PolarHBondContact N-O 2.93Å; Q197-Q201 HydrophobicContact CG-CB 4.05Å; Q197-Q201 PolarHBondContact NE2-O 2.9Å; Y198-Q201 WeakPolarHBondContact O-CB 3.27Å; Y198-Q201 PolarHBondContact O-N 3.01Å; S199-Q201 PolarHBondContact O-N 2.77Å
202A98.3Very high97.4Very high1 Ų132.2 Ų32.21%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-117.3130.3172.200000111.7I7 F8 I12 S149 A150I7-A202 WeakPolarHBondContact CA-O 3.46Å; F8-A202 HydrophobicContact CB-CB 4.25Å; F8-A202 HydrophobicContact CD2-CB 4.49Å; F8-A202 PolarHBondContact N-O 2.78Å; F8-A202 PolarHBondContact O-N 3.47Å; I12-A202 HydrophobicContact CG2-CB 3.84Å; S149-A202 CarbonylContact O-C 3.58Å; S149-A202 VanDerWaalsContact O-CA 3.29Å; S149-A202 WeakPolarHBondContact O-CA 3.36Å; A150-A202 HydrophobicContact CB-CB 4.11Å
203V98.3Very high97.6Very high0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-100130.6173.3173.30000108.3I7 W148 S149 W158 I160 I195 Q197 V205I7-V203 HydrophobicContact CG1-CG2 4.48Å; I7-V203 HydrophobicContact CG2-CG2 4.41Å; W148-V203 CarbonylContact C-O 3.49Å; W148-V203 WeakPolarHBondContact CA-O 3.35Å; S149-V203 PolarHBondContact N-O 2.95Å; S149-V203 PolarHBondContact O-N 3.32Å; W158-V203 HydrophobicContact CD2-CG1 4.5Å; W158-V203 HydrophobicContact CE3-CG1 4.48Å; W158-V203 HydrophobicContact CZ2-CB 4.35Å; I160-V203 HydrophobicContact CD1-CG1 4.23Å; I195-V203 HydrophobicContact CD1-CG1 4.09Å; I195-V203 HydrophobicContact CD1-CG2 3.79Å; Q197-V203 HydrophobicContact CB-CG2 4.05Å; Q197-V203 HydrophobicContact CG-CG2 3.88Å; V203-V205 HydrophobicContact CG1-CG2 4.31Å
204F97.7Very high97.8Very high42 Ų4227 Ų2718%0.18414%0.142CC..EExtended strand (participates in β ladder)trans-97126.2167.9167.9-102.8000110.1C6 F8 F105 F146 P206 W226C6-F204 HydrophobicContact CB-CB 4.08Å; C6-F204 HydrophobicContact CB-CD1 4.03Å; C6-F204 PolarHBondContact O-N 2.9Å; F8-F204 HydrophobicContact CE2-CB 4.29Å; F105-F204 HydrophobicContact CE1-CD2 4.45Å; F146-F204 HydrophobicContact CB-CE2 3.83Å; F146-F204 HydrophobicContact CB-CZ 4.46Å; F146-F204 AromaticContact CD1-CE2 3.68Å; F146-F204 HydrophobicContact CD1-CE2 3.68Å; F146-F204 AromaticContact CD1-CZ 3.42Å; F146-F204 HydrophobicContact CD1-CZ 3.42Å; F146-F204 VanDerWaalsContact CD1-CZ 3.42Å; F146-F204 HydrophobicContact CE1-CE2 4.35Å; F146-F204 AromaticContact CE1-CZ 3.7Å; F146-F204 HydrophobicContact CE1-CZ 3.7Å; F146-F204 AromaticContact CG-CE2 3.76Å; F146-F204 HydrophobicContact CG-CE2 3.76Å; F146-F204 AromaticContact CG-CZ 3.97Å; F146-F204 HydrophobicContact CG-CZ 3.97Å; F146-F204 HydrophobicContact CZ-CZ 4.42Å; F204-P206 HydrophobicContact CD1-CG 4.19Å; F204-P206 HydrophobicContact CE1-CB 3.95Å; F204-P206 HydrophobicContact CE1-CG 3.83Å; F204-P206 HydrophobicContact CZ-CB 4.37Å; F204-W226 HydrophobicContact CD2-CZ2 4.26Å; F204-W226 HydrophobicContact CE2-CZ2 4.16Å
205V97.6Very high97.9Very high0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-104.1114176.3-175.30000108.2S147 W158 V203 W209S147-V205 PolarHBondContact N-O 2.92Å; S147-V205 PolarHBondContact O-N 3.3Å; W158-V205 HydrophobicContact CH2-CG2 4.49Å; W158-V205 HydrophobicContact CZ3-CG2 3.84Å; V203-V205 HydrophobicContact CG1-CG2 4.31Å; V205-W209 HydrophobicContact CG1-CB 4.17Å
206P96.5Very high98Very high31 Ų3125.1 Ų25.120%0.20113%0.128CC..  trans-71158.7179.5-8.922.5000112.4F204 G208 W209F204-P206 HydrophobicContact CD1-CG 4.19Å; F204-P206 HydrophobicContact CE1-CB 3.95Å; F204-P206 HydrophobicContact CE1-CG 3.83Å; F204-P206 HydrophobicContact CZ-CB 4.37Å; P206-G208 PolarHBondContact O-N 3.36Å; P206-W209 HydrophobicContact CB-CG 4.16Å; P206-W209 HydrophobicContact CG-CD2 4.11Å; P206-W209 HydrophobicContact CG-CG 4.13Å; P206-W209 HydrophobicContact CG-CZ2 4.45Å; P206-W209 WeakPolarHBondContact O-CB 3.34Å; P206-W209 VanDerWaalsContact O-CD1 3.25Å; P206-W209 PolarHBondContact O-N 2.94Å; P206-W209 VanDerWaalsContact O-N 3.15Å
207S97Very high98Very high10 Ų1025.7 Ų25.77%0.0713%0.134CC..THydrogen-bonded Turntrans-51.6125.4-179.4173.10000112.8R144 S145 F146 W209 H234R144-S207 VanDerWaalsContact O-CB 3.28Å; R144-S207 WeakPolarHBondContact O-CB 3.5Å; R144-S207 PolarHBondContact O-OG 3.12Å; S145-S207 WeakPolarHBondContact O-CA 3.4Å; F146-S207 VanDerWaalsContact CD1-N 3.29Å; S207-W209 VanDerWaalsContact C-N 3.29Å; S207-W209 PolarHBondContact O-N 3.31Å; S207-H234 PolarHBondContact OG-ND1 3.25Å
208G96.3Very high97.9Very high14 Ų1428.7 Ų28.714%0.14415%0.15CC..THydrogen-bonded Turntrans76.85.2176.400000115.9P206 Y210P206-G208 PolarHBondContact O-N 3.36Å; G208-Y210 PolarHBondContact O-N 3.14Å
209W97.3Very high97.9Very high53 Ų5322.9 Ų22.920%0.20113%0.127CC..  trans-76.7118.2176-73.657.2000110.2L5 I160 F161 P162 P163 Y193 V205 P206 S207 H211L5-W209 HydrophobicContact CD2-CE3 4.35Å; L5-W209 HydrophobicContact CD2-CZ3 4Å; I160-W209 HydrophobicContact CG2-CB 4.28Å; I160-W209 HydrophobicContact CG2-CE3 3.75Å; F161-W209 WeakPolarHBondContact O-CA 3.35Å; P162-W209 HydrophobicContact CB-CE3 4.41Å; P162-W209 HydrophobicContact CB-CH2 3.97Å; P162-W209 HydrophobicContact CB-CZ2 4.16Å; P162-W209 HydrophobicContact CB-CZ3 4.09Å; P162-W209 HydrophobicContact CG-CE3 4.28Å; P162-W209 HydrophobicContact CG-CH2 3.7Å; P162-W209 HydrophobicContact CG-CZ2 4.4Å; P162-W209 HydrophobicContact CG-CZ3 3.63Å; P163-W209 VanDerWaalsContact CD-CD1 3.45Å; P163-W209 VanDerWaalsContact CD-NE1 3.3Å; P163-W209 HydrophobicContact CG-CG 4.35Å; Y193-W209 HydrophobicContact CD2-CZ3 4.02Å; Y193-W209 HydrophobicContact CE2-CH2 4.13Å; Y193-W209 AromaticContact CE2-CZ3 3.79Å; Y193-W209 HydrophobicContact CE2-CZ3 3.79Å; V205-W209 HydrophobicContact CG1-CB 4.17Å; P206-W209 HydrophobicContact CB-CG 4.16Å; P206-W209 HydrophobicContact CG-CD2 4.11Å; P206-W209 HydrophobicContact CG-CG 4.13Å; P206-W209 HydrophobicContact CG-CZ2 4.45Å; P206-W209 WeakPolarHBondContact O-CB 3.34Å; P206-W209 VanDerWaalsContact O-CD1 3.25Å; P206-W209 PolarHBondContact O-N 2.94Å; P206-W209 VanDerWaalsContact O-N 3.15Å; S207-W209 VanDerWaalsContact C-N 3.29Å; S207-W209 PolarHBondContact O-N 3.31Å; W209-H211 PolarHBondContact O-ND1 3.09Å; W209-H211 VanDerWaalsContact O-ND1 3.09Å
210Y97.9Very high98Very high33 Ų3320.2 Ų20.213%0.12911%0.109CC..EExtended strand (participates in β ladder)trans-73.1141.6174.4-81.8-108.4000110.3F138 H139 A140 R144 F161 E166 I176 G208F138-Y210 HydrophobicContact CD1-CD1 4.33Å; F138-Y210 AromaticContact CE1-CD1 3.99Å; F138-Y210 HydrophobicContact CE1-CD1 3.99Å; F138-Y210 HydrophobicContact CE1-CG 4.41Å; F138-Y210 HydrophobicContact CE2-CD1 4.37Å; F138-Y210 HydrophobicContact CE2-CG 4.34Å; F138-Y210 HydrophobicContact CZ-CD1 4.03Å; F138-Y210 HydrophobicContact CZ-CG 4.02Å; H139-Y210 VanDerWaalsContact C-CD1 3.46Å; H139-Y210 CarbonylContact O-C 3.16Å; H139-Y210 WeakPolarHBondContact O-CA 3.23Å; A140-Y210 HydrophobicContact CB-CD1 4.23Å; A140-Y210 HydrophobicContact CB-CD2 3.57Å; A140-Y210 HydrophobicContact CB-CE1 4.27Å; A140-Y210 HydrophobicContact CB-CE2 3.62Å; A140-Y210 HydrophobicContact CB-CG 3.88Å; R144-Y210 PolarHBondContact NH2-OH 3.03Å; F161-Y210 PolarHBondContact N-O 3.08Å; F161-Y210 PolarHBondContact O-N 3Å; E166-Y210 HydrophobicContact CB-CD1 4.14Å; E166-Y210 HydrophobicContact CB-CD2 3.8Å; E166-Y210 HydrophobicContact CB-CE1 4.47Å; E166-Y210 HydrophobicContact CB-CE2 4.15Å; E166-Y210 HydrophobicContact CB-CG 3.8Å; E166-Y210 HydrophobicContact CG-CD1 4.44Å; E166-Y210 HydrophobicContact CG-CD2 3.65Å; E166-Y210 HydrophobicContact CG-CE1 4.34Å; E166-Y210 HydrophobicContact CG-CE2 3.52Å; E166-Y210 HydrophobicContact CG-CG 4.13Å; I176-Y210 HydrophobicContact CD1-CE1 4.34Å; I176-Y210 HydrophobicContact CG1-CE1 4.16Å; I176-Y210 HydrophobicContact CG2-CD1 4.39Å; I176-Y210 HydrophobicContact CG2-CE1 4.21Å; G208-Y210 PolarHBondContact O-N 3.14Å
211H98.2Very high98Very high6 Ų619.9 Ų19.93%0.02811%0.105CC..EExtended strand (participates in β ladder)trans-154.1159.9-178.760.3-79.7000112.9F138 H139 D141 W158 W159 I160 W209F138-H211 WeakPolarHBondContact CA-O 3.47Å; H139-H211 AromaticContact CE1-NE2 3.56Å; H139-H211 PolarHBondContact N-O 3.24Å; H139-H211 AromaticContact NE2-CE1 3.84Å; H139-H211 AromaticContact NE2-NE2 3.62Å; H139-H211 PolarHBondContact O-N 3.31Å; H139-H211 PolarHBondContact O-ND1 3.49Å; D141-H211 IonicContact OD2-CE1 3.53Å; D141-H211 PolarHBondContact OD2-CE1 2.89Å; D141-H211 VanDerWaalsContact OD2-CE1 3.31Å; W158-H211 AromaticContact CZ3-CD2 3.75Å; W159-H211 CarbonylContact O-C 3.45Å; W159-H211 WeakPolarHBondContact O-CA 3.47Å; W159-H211 VanDerWaalsContact O-CB 3.29Å; W159-H211 WeakPolarHBondContact O-CB 3.33Å; I160-H211 HydrophobicContact CB-CB 4.35Å; I160-H211 HydrophobicContact CG1-CB 4.12Å; I160-H211 HydrophobicContact CG2-CB 4.16Å; W209-H211 PolarHBondContact O-ND1 3.09Å; W209-H211 VanDerWaalsContact O-ND1 3.09Å
212Q98.4Very high98Very high0 Ų018.5 Ų18.50%010%0.098CC..EExtended strand (participates in β ladder)trans-136.9139.3173.4163.6163.8-18.600108.4W135 T136 F138 W158 W159 D179 I180W135-Q212 HydrophobicContact CE3-CG 4.41Å; T136-Q212 WeakPolarHBondContact O-CG 3.29Å; F138-Q212 HydrophobicContact CB-CB 4.35Å; F138-Q212 HydrophobicContact CD2-CB 4.32Å; W158-Q212 WeakPolarHBondContact CA-O 3.37Å; W159-Q212 HydrophobicContact CE3-CG 4.45Å; W159-Q212 PolarHBondContact N-O 3.43Å; W159-Q212 PolarHBondContact O-N 2.94Å; D179-Q212 PolarHBondContact OD1-NE2 3.29Å; D179-Q212 PolarHBondContact OD1-OE1 3.27Å; I180-Q212 HydrophobicContact CD1-CB 4.06Å; I180-Q212 HydrophobicContact CD1-CG 4.13Å; I180-Q212 HydrophobicContact CG1-CB 3.97Å; I180-Q212 HydrophobicContact CG1-CG 4.41Å; I180-Q212 VanDerWaalsContact CG1-OE1 3.32Å
213V98.6Very high97.9Very high7 Ų718.9 Ų18.94%0.04210%0.1CC..EExtended strand (participates in β ladder)trans-127.8135.9-174.8-166.20000110.1W135 T136 K156 R157 W158W135-V213 CarbonylContact C-O 3.56Å; W135-V213 WeakPolarHBondContact CA-O 3.07Å; W135-V213 WeakPolarHBondContact CB-O 3.48Å; T136-V213 PolarHBondContact N-O 3.47Å; T136-V213 PolarHBondContact OG1-N 3.42Å; K156-V213 HydrophobicContact CB-CG1 4.08Å; K156-V213 HydrophobicContact CD-CG1 4.13Å; R157-V213 CarbonylContact O-C 3.59Å; R157-V213 WeakPolarHBondContact O-CA 3.46Å; W158-V213 HydrophobicContact CD2-CB 4.4Å; W158-V213 HydrophobicContact CD2-CG1 3.98Å; W158-V213 HydrophobicContact CD2-CG2 3.6Å; W158-V213 HydrophobicContact CE3-CG2 3.29Å; W158-V213 HydrophobicContact CG-CG1 4.26Å; W158-V213 HydrophobicContact CG-CG2 4.34Å; W158-V213 HydrophobicContact CH2-CG2 3.81Å; W158-V213 HydrophobicContact CZ2-CG1 4.12Å; W158-V213 HydrophobicContact CZ2-CG2 4.11Å; W158-V213 HydrophobicContact CZ3-CG2 3.4Å; W158-V213 VanDerWaalsContact CZ3-CG2 3.4Å
214V98.6Very high97.8Very high11 Ų1118.9 Ų18.97%0.06710%0.1CC..EExtended strand (participates in β ladder)trans-122.4130.2173.4179.20000108.9W135 K156 R157 W159 M216W135-V214 HydrophobicContact CB-CB 4.34Å; W135-V214 HydrophobicContact CB-CG2 3.84Å; K156-V214 CarbonylContact C-O 3.6Å; K156-V214 WeakPolarHBondContact CA-O 3.47Å; R157-V214 PolarHBondContact N-O 3.15Å; R157-V214 PolarHBondContact O-N 2.87Å; W159-V214 HydrophobicContact CH2-CG2 4.15Å; W159-V214 HydrophobicContact CZ3-CB 4.09Å; W159-V214 HydrophobicContact CZ3-CG2 3.63Å; V214-M216 HydrophobicContact CB-SD 4.27Å; V214-M216 HydrophobicContact CG1-SD 3.9Å; V214-M216 PolarHBondContact O-N 3.05Å
215N98.7Very high97.8Very high1 Ų117.2 Ų17.21%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-77.1108.4169.8-68.8-19.1000108.6G133 T134 K156 T217 C219G133-N215 PolarHBondContact N-O 2.75Å; T134-N215 WeakPolarHBondContact O-CB 3.04Å; T134-N215 PolarHBondContact O-N 3.44Å; T134-N215 WeakPolarHBondContact OG1-CB 3.48Å; T134-N215 PolarHBondContact OG1-ND2 3.09Å; K156-N215 WeakPolarHBondContact CD-OD1 3.21Å; K156-N215 VanDerWaalsContact CE-OD1 3.23Å; K156-N215 WeakPolarHBondContact CE-OD1 3.49Å; K156-N215 WeakPolarHBondContact CG-OD1 3.27Å; N215-T217 VanDerWaalsContact C-N 3.29Å; N215-T217 WeakPolarHBondContact CB-O 2.94Å; N215-C219 HydrophobicContact CB-CB 4.13Å
216M98.6Very high97.8Very high54 Ų5417.4 Ų17.427%0.2669%0.094SC..SBendtrans-80.4-13.6-179.3-58-56.3-5800112.3H132 H155 R157 V214H132-M216 PolarHBondContact CE1-O 3.06Å; H132-M216 VanDerWaalsContact CE1-O 3.26Å; H132-M216 VanDerWaalsContact ND1-C 3.26Å; H132-M216 PolarHBondContact ND1-O 3.31Å; H155-M216 HydrophobicContact CB-CB 4.31Å; H155-M216 VanDerWaalsContact ND1-CB 3.3Å; H155-M216 WeakPolarHBondContact ND1-CB 3.42Å; H155-M216 WeakPolarHBondContact O-CA 3.39Å; H155-M216 WeakPolarHBondContact O-CB 3.3Å; H155-M216 PolarHBondContact O-N 2.77Å; R157-M216 HydrophobicContact CB-CG 3.71Å; R157-M216 HydrophobicContact CB-SD 3.77Å; V214-M216 HydrophobicContact CB-SD 4.27Å; V214-M216 HydrophobicContact CG1-SD 3.9Å; V214-M216 PolarHBondContact O-N 3.05Å
217T98.1Very high97.9Very high60 Ų6016 Ų1637%0.3689%0.085SC..SBendtrans-138.7-173.2166.661.90000108.9H132 G154 H155 N215 C219H132-T217 WeakPolarHBondContact CA-O 3.33Å; G154-T217 VanDerWaalsContact CA-OG1 3.25Å; G154-T217 WeakPolarHBondContact CA-OG1 3.38Å; H155-T217 HydrophobicContact CB-CG2 4.15Å; H155-T217 PolarHBondContact N-OG1 2.83Å; H155-T217 PolarHBondContact O-N 2.89Å; N215-T217 VanDerWaalsContact C-N 3.29Å; N215-T217 WeakPolarHBondContact CB-O 2.94Å; T217-C219 PolarHBondContact O-N 2.77Å; T217-C219 PolarHBondContact O-SG 3.44Å; T217-C219 VanDerWaalsContact O-SG 3.33Å
218N98.1Very high98Very high64 Ų6416.5 Ų16.534%0.3429%0.087SC..SBendtrans-65.1125.8166.5-65.2-12.7000108.9I29 W70 G130 S131 H132 G154I29-N218 HydrophobicContact CD1-CB 4.11Å; W70-N218 HydrophobicContact CH2-CB 3.99Å; W70-N218 HydrophobicContact CZ2-CB 3.73Å; G130-N218 WeakPolarHBondContact O-CA 3.42Å; S131-N218 VanDerWaalsContact CA-OD1 3.26Å; S131-N218 WeakPolarHBondContact CA-OD1 3.49Å; H132-N218 PolarHBondContact N-OD1 2.89Å; G154-N218 WeakPolarHBondContact CA-O 3.31Å
219C98.6Very high98Very high1 Ų116.2 Ų16.21%0.0078%0.083CC..EExtended strand (participates in β ladder)trans-126.5145.5-173.8-63.20000112.5I29 L129 G130 L153 H155 K156 N215 T217I29-C219 VanDerWaalsContact CD1-C 3.48Å; L129-C219 WeakPolarHBondContact CA-O 3.49Å; G130-C219 PolarHBondContact N-O 3.43Å; G130-C219 PolarHBondContact O-N 2.89Å; L153-C219 WeakPolarHBondContact O-CA 3.39Å; H155-C219 PolarHBondContact N-SG 3Å; H155-C219 VanDerWaalsContact N-SG 3.37Å; H155-C219 PolarHBondContact O-SG 3.09Å; K156-C219 HydrophobicContact CG-CB 4.43Å; N215-C219 HydrophobicContact CB-CB 4.13Å; T217-C219 PolarHBondContact O-N 2.77Å; T217-C219 PolarHBondContact O-SG 3.44Å; T217-C219 VanDerWaalsContact O-SG 3.33Å
220I98.4Very high98Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-131.4130.6163.5-171.4171.2000108.9W22 I29 V34 L127 Y128 L129 I152 L153W22-I220 HydrophobicContact CD2-CD1 4.03Å; W22-I220 HydrophobicContact CE3-CD1 3.45Å; W22-I220 VanDerWaalsContact CE3-CD1 3.45Å; W22-I220 HydrophobicContact CE3-CG1 4.16Å; W22-I220 HydrophobicContact CZ3-CD1 3.79Å; W22-I220 HydrophobicContact CZ3-CG1 4.2Å; I29-I220 HydrophobicContact CD1-CB 4.06Å; I29-I220 HydrophobicContact CD1-CG2 4.07Å; I29-I220 HydrophobicContact CG1-CG2 4.14Å; V34-I220 HydrophobicContact CG1-CD1 4.09Å; V34-I220 HydrophobicContact CG2-CD1 3.7Å; L127-I220 HydrophobicContact CD1-CD1 4.15Å; L127-I220 HydrophobicContact CD1-CG1 3.86Å; L127-I220 HydrophobicContact CD2-CD1 4.09Å; L127-I220 HydrophobicContact CD2-CG1 4.42Å; L127-I220 HydrophobicContact CG-CD1 4.4Å; L127-I220 HydrophobicContact CG-CG1 4.2Å; Y128-I220 CarbonylContact O-C 3.52Å; Y128-I220 VanDerWaalsContact O-CA 3.23Å; Y128-I220 WeakPolarHBondContact O-CA 3.5Å; L129-I220 HydrophobicContact CD1-CB 4.04Å; L129-I220 HydrophobicContact CD1-CD1 4.29Å; L129-I220 HydrophobicContact CD1-CG1 4.29Å; I152-I220 HydrophobicContact CB-CG2 4Å; I152-I220 WeakPolarHBondContact CB-O 3.24Å; I152-I220 HydrophobicContact CG2-CG2 4.41Å; I152-I220 PolarHBondContact N-O 3.15Å; L153-I220 HydrophobicContact CB-CG2 3.81Å; L153-I220 HydrophobicContact CD1-CG2 4.03Å; L153-I220 HydrophobicContact CG-CG2 4.27Å; L153-I220 PolarHBondContact N-O 3.36Å; L153-I220 PolarHBondContact O-N 2.74Å
221S98.4Very high98Very high0 Ų016.1 Ų16.10%09%0.092CC..EExtended strand (participates in β ladder)trans-142.2154.7-178.965.60000112.7L127 Y128 A150 K156 N223L127-S221 WeakPolarHBondContact CA-O 3.04Å; L127-S221 WeakPolarHBondContact CD1-O 3.34Å; Y128-S221 PolarHBondContact N-O 3.34Å; Y128-S221 PolarHBondContact O-N 2.67Å; A150-S221 CarbonylContact O-C 3.55Å; A150-S221 WeakPolarHBondContact O-CA 3.39Å; A150-S221 WeakPolarHBondContact O-CB 3.05Å; K156-S221 PolarHBondContact NZ-OG 2.86Å; S221-N223 WeakPolarHBondContact CB-OD1 3.45Å; S221-N223 PolarHBondContact OG-OD1 3.45Å
222I97.4Very high98Very high0 Ų016 Ų160%09%0.091CC..EExtended strand (participates in β ladder)trans-102.8129.6170.9-59.6179000107.7W16 V18 W22 F90 F99 F126 L127 W148 S149 A150 I152W16-I222 HydrophobicContact CE3-CD1 4.23Å; W16-I222 HydrophobicContact CZ3-CB 4.46Å; W16-I222 HydrophobicContact CZ3-CD1 4.02Å; V18-I222 HydrophobicContact CG1-CD1 4.45Å; V18-I222 HydrophobicContact CG2-CD1 3.92Å; W22-I222 HydrophobicContact CH2-CD1 4.42Å; W22-I222 HydrophobicContact CZ3-CD1 4.47Å; W22-I222 HydrophobicContact CZ3-CG1 4.48Å; F90-I222 HydrophobicContact CE1-CD1 4.41Å; F90-I222 HydrophobicContact CE2-CD1 4.29Å; F90-I222 HydrophobicContact CE2-CG1 4.2Å; F90-I222 HydrophobicContact CE2-CG2 3.97Å; F90-I222 HydrophobicContact CZ-CD1 3.59Å; F90-I222 HydrophobicContact CZ-CG1 3.83Å; F90-I222 HydrophobicContact CZ-CG2 4.33Å; F99-I222 HydrophobicContact CD1-CD1 3.62Å; F99-I222 HydrophobicContact CE1-CD1 3.96Å; F99-I222 HydrophobicContact CE1-CG2 4.12Å; F99-I222 HydrophobicContact CG-CD1 4.18Å; F99-I222 HydrophobicContact CZ-CG2 4.08Å; F126-I222 WeakPolarHBondContact O-CA 3.44Å; L127-I222 HydrophobicContact CD1-CG1 4.04Å; W148-I222 HydrophobicContact CH2-CB 4.36Å; W148-I222 HydrophobicContact CH2-CG2 3.58Å; W148-I222 HydrophobicContact CZ3-CB 4.2Å; W148-I222 HydrophobicContact CZ3-CG2 3.89Å; W148-I222 WeakPolarHBondContact CZ3-O 2.98Å; S149-I222 CarbonylContact C-O 3.52Å; S149-I222 WeakPolarHBondContact CA-O 3.21Å; A150-I222 PolarHBondContact N-O 2.82Å; A150-I222 PolarHBondContact O-N 3.07Å; I152-I222 HydrophobicContact CD1-CD1 4.16Å; I152-I222 HydrophobicContact CD1-CG1 4.24Å; I152-I222 HydrophobicContact CG1-CD1 4.39Å; I152-I222 HydrophobicContact CG1-CG1 4.13Å
223N97.3Very high98Very high10 Ų1018.3 Ų18.35%0.05311%0.108CC..EExtended strand (participates in β ladder)trans-133.2121.9-172.3-69.962.2000109.2F126 Y128 W148 S149 S221F126-N223 HydrophobicContact CB-CB 4.37Å; F126-N223 WeakPolarHBondContact CD2-O 3.24Å; F126-N223 PolarHBondContact N-O 3.38Å; F126-N223 PolarHBondContact O-N 3.32Å; Y128-N223 HydrophobicContact CE1-CB 4.4Å; W148-N223 VanDerWaalsContact O-CA 3.25Å; W148-N223 WeakPolarHBondContact O-CA 3.43Å; S149-N223 WeakPolarHBondContact CB-ND2 3.32Å; S149-N223 PolarHBondContact OG-ND2 3.03Å; S221-N223 WeakPolarHBondContact CB-OD1 3.45Å; S221-N223 PolarHBondContact OG-OD1 3.45Å
224H96.8Very high97.9Very high0 Ų022.4 Ų22.40%013%0.126CC..EExtended strand (participates in β ladder)trans-123.1149.4168.7-42.8-176.1000111.8E95 F99 F124 K125 S147 W148E95-H224 IonicContact OE1-CE1 3.54Å; E95-H224 PolarHBondContact OE1-CE1 3.13Å; E95-H224 VanDerWaalsContact OE1-CE1 3.31Å; F99-H224 AromaticContact CE2-CE1 3.86Å; F99-H224 AromaticContact CE2-NE2 3.93Å; F99-H224 AromaticContact CZ-CE1 3.52Å; F99-H224 AromaticContact CZ-NE2 3.34Å; F99-H224 VanDerWaalsContact CZ-NE2 3.34Å; F99-H224 WeakPolarHBondContact CZ-NE2 3.28Å; F124-H224 WeakPolarHBondContact O-CA 3.37Å; F124-H224 WeakPolarHBondContact O-CB 3.39Å; K125-H224 HydrophobicContact CG-CB 4.5Å; S147-H224 VanDerWaalsContact CA-O 3.28Å; S147-H224 WeakPolarHBondContact CA-O 3.45Å; S147-H224 PolarHBondContact OG-O 3.01Å; W148-H224 VanDerWaalsContact CD1-O 3.27Å; W148-H224 AromaticContact CE2-CD2 3.93Å; W148-H224 AromaticContact CE2-CG 3.57Å; W148-H224 AromaticContact CE2-ND1 3.94Å; W148-H224 AromaticContact CH2-CD2 3.75Å; W148-H224 AromaticContact CH2-NE2 3.73Å; W148-H224 HydrophobicContact CZ2-CB 4.02Å; W148-H224 AromaticContact CZ2-CD2 3.35Å; W148-H224 WeakPolarHBondContact CZ2-CD2 3.34Å; W148-H224 AromaticContact CZ2-CE1 3.5Å; W148-H224 AromaticContact CZ2-CG 3.28Å; W148-H224 AromaticContact CZ2-ND1 3.38Å; W148-H224 WeakPolarHBondContact CZ2-ND1 3.17Å; W148-H224 AromaticContact CZ2-NE2 3.5Å; W148-H224 WeakPolarHBondContact CZ2-NE2 3.32Å; W148-H224 PolarHBondContact N-O 3.07Å; W148-H224 VanDerWaalsContact N-O 3.08Å; W148-H224 AromaticContact NE1-CG 3.46Å; W148-H224 AromaticContact NE1-ND1 3.89Å; W148-H224 PolarHBondContact O-N 3.43Å; W148-H224 VanDerWaalsContact O-N 3.11Å
225N97.5Very high97.9Very high7 Ų722 Ų224%0.03712%0.124CC..EExtended strand (participates in β ladder)trans-101.5137.9166.2-66.191.5000108.9N111 F124 F126 D141 V142 S145 F146N111-N225 PolarHBondContact ND2-O 2.85Å; F124-N225 HydrophobicContact CB-CB 4.17Å; F124-N225 WeakPolarHBondContact CB-O 3.38Å; F124-N225 HydrophobicContact CD1-CB 4.24Å; F124-N225 PolarHBondContact O-N 3.4Å; F126-N225 WeakPolarHBondContact CE2-OD1 3.3Å; D141-N225 VanDerWaalsContact CB-ND2 3.33Å; D141-N225 WeakPolarHBondContact CB-ND2 3.45Å; D141-N225 PolarHBondContact OD1-ND2 3.24Å; D141-N225 VanDerWaalsContact OD1-ND2 3.08Å; V142-N225 HydrophobicContact CG2-CB 4.17Å; S145-N225 WeakPolarHBondContact OG-CB 3.43Å; S145-N225 PolarHBondContact OG-ND2 2.97Å; S145-N225 VanDerWaalsContact OG-ND2 3.14Å; F146-N225 WeakPolarHBondContact O-CA 3.48Å
226W97.4Very high97.9Very high4 Ų422.2 Ų22.22%0.01513%0.125CC..EExtended strand (participates in β ladder)trans-151.4167.2171.672.970.6000112.2F105 D108 S145 F146 W148 F204F105-W226 HydrophobicContact CB-CE3 4.29Å; F105-W226 HydrophobicContact CB-CH2 3.26Å; F105-W226 HydrophobicContact CB-CZ2 4.08Å; F105-W226 HydrophobicContact CB-CZ3 3.22Å; F105-W226 AromaticContact CD1-CH2 3.09Å; F105-W226 HydrophobicContact CD1-CH2 3.09Å; F105-W226 AromaticContact CD1-CZ2 3.58Å; F105-W226 HydrophobicContact CD1-CZ2 3.58Å; F105-W226 HydrophobicContact CD1-CZ3 4.02Å; F105-W226 AromaticContact CD2-CH2 3.81Å; F105-W226 HydrophobicContact CD2-CH2 3.81Å; F105-W226 HydrophobicContact CD2-CZ3 4.09Å; F105-W226 AromaticContact CE1-CH2 3.84Å; F105-W226 HydrophobicContact CE1-CH2 3.84Å; F105-W226 HydrophobicContact CE1-CZ2 4.31Å; F105-W226 HydrophobicContact CE2-CH2 4.47Å; F105-W226 AromaticContact CG-CH2 3.08Å; F105-W226 HydrophobicContact CG-CH2 3.08Å; F105-W226 AromaticContact CG-CZ2 3.98Å; F105-W226 HydrophobicContact CG-CZ2 3.98Å; F105-W226 AromaticContact CG-CZ3 3.53Å; F105-W226 HydrophobicContact CG-CZ3 3.53Å; F105-W226 HydrophobicContact CZ-CH2 4.48Å; D108-W226 HydrophobicContact CB-CB 4.01Å; D108-W226 HydrophobicContact CB-CG 4.41Å; D108-W226 WeakPolarHBondContact OD1-CB 3.13Å; S145-W226 CarbonylContact C-O 3.56Å; S145-W226 VanDerWaalsContact CB-O 3.27Å; S145-W226 WeakPolarHBondContact CB-O 3.02Å; F146-W226 WeakPolarHBondContact CA-O 3.49Å; F146-W226 HydrophobicContact CB-CG 4.47Å; F146-W226 HydrophobicContact CB-CZ2 4.36Å; F146-W226 WeakPolarHBondContact CB-O 3.49Å; F146-W226 AromaticContact CD2-CD1 3.65Å; F146-W226 AromaticContact CD2-NE1 3.29Å; F146-W226 VanDerWaalsContact CD2-NE1 3.29Å; F146-W226 AromaticContact CG-NE1 3.82Å; F146-W226 PolarHBondContact N-O 3.3Å; F146-W226 PolarHBondContact O-N 3.45Å; F146-W226 VanDerWaalsContact O-N 3.09Å; W148-W226 HydrophobicContact CB-CH2 3.96Å; W148-W226 AromaticContact CD1-CE3 3.47Å; W148-W226 VanDerWaalsContact CD1-CE3 3.47Å; W148-W226 AromaticContact CD1-CH2 3.01Å; W148-W226 AromaticContact CD1-CZ3 2.76Å; W148-W226 HydrophobicContact CD2-CZ3 4.33Å; W148-W226 AromaticContact CE2-CZ3 3.82Å; W148-W226 AromaticContact CG-CH2 3.58Å; W148-W226 HydrophobicContact CG-CH2 3.58Å; W148-W226 AromaticContact CG-CZ3 3.66Å; W148-W226 HydrophobicContact CG-CZ3 3.66Å; W148-W226 AromaticContact NE1-CE3 3.4Å; W148-W226 AromaticContact NE1-CH2 3.61Å; W148-W226 AromaticContact NE1-CZ3 2.84Å; F204-W226 HydrophobicContact CD2-CZ2 4.26Å; F204-W226 HydrophobicContact CE2-CZ2 4.16Å
227F98.2Very high97.9Very high0 Ų023.7 Ų23.70%013%0.133CC..  trans-140.2165.2163.757-103.9000110.2W109 L110 Y143 N231 V232 V235 I281W109-F227 HydrophobicContact CB-CD2 4.03Å; W109-F227 HydrophobicContact CB-CE2 3.93Å; W109-F227 WeakPolarHBondContact CB-O 3.02Å; W109-F227 HydrophobicContact CE3-CD2 4.26Å; W109-F227 HydrophobicContact CE3-CE2 4.2Å; W109-F227 PolarHBondContact N-O 3.4Å; L110-F227 HydrophobicContact CB-CD1 4.15Å; L110-F227 HydrophobicContact CB-CE1 3.97Å; L110-F227 HydrophobicContact CB-CZ 4.38Å; L110-F227 HydrophobicContact CD1-CE1 3.73Å; L110-F227 HydrophobicContact CD1-CZ 4.22Å; L110-F227 HydrophobicContact CD2-CD1 4.33Å; L110-F227 HydrophobicContact CD2-CE1 4.27Å; L110-F227 HydrophobicContact CG-CE1 4.22Å; Y143-F227 HydrophobicContact CD2-CE1 4.49Å; F227-N231 VanDerWaalsContact CA-OD1 3.3Å; F227-N231 WeakPolarHBondContact CA-OD1 3.49Å; F227-N231 VanDerWaalsContact CB-OD1 3.23Å; F227-N231 WeakPolarHBondContact CB-OD1 3.01Å; F227-V232 HydrophobicContact CD2-CG2 4.34Å; F227-V232 HydrophobicContact CE2-CG2 4.39Å; F227-V235 HydrophobicContact CB-CG2 3.79Å; F227-V235 HydrophobicContact CD1-CG1 4.36Å; F227-V235 HydrophobicContact CD1-CG2 3.78Å; F227-V235 HydrophobicContact CD2-CG2 4.37Å; F227-V235 HydrophobicContact CE1-CG1 4.16Å; F227-V235 HydrophobicContact CE1-CG2 4.4Å; F227-V235 HydrophobicContact CG-CG2 3.75Å; F227-V235 HydrophobicContact CZ-CG1 4.47Å; F227-I281 HydrophobicContact CE2-CG2 4.01Å; F227-I281 HydrophobicContact CZ-CD1 3.89Å; F227-I281 HydrophobicContact CZ-CG2 4.12Å
228N98.2Very high97.9Very high21 Ų2122 Ų2211%0.11212%0.122CC..  trans-152.8-166175.859.639.8000110.4S107 W109 T230 N231 V232S107-N228 WeakPolarHBondContact O-CB 3.34Å; S107-N228 PolarHBondContact O-ND2 3.26Å; S107-N228 VanDerWaalsContact O-ND2 3.09Å; S107-N228 WeakPolarHBondContact OG-CB 3.44Å; W109-N228 HydrophobicContact CD2-CB 4.44Å; W109-N228 HydrophobicContact CG-CB 4.29Å; N228-T230 PolarHBondContact O-N 3.39Å; N228-T230 WeakPolarHBondContact OD1-CB 3.44Å; N228-T230 PolarHBondContact OD1-N 2.99Å; N228-T230 PolarHBondContact OD1-OG1 3.19Å; N228-N231 PolarHBondContact N-OD1 2.95Å; N228-N231 PolarHBondContact O-N 2.8Å; N228-N231 VanDerWaalsContact O-N 3.1Å; N228-N231 PolarHBondContact O-OD1 3.08Å; N228-V232 WeakPolarHBondContact O-CB 3.2Å; N228-V232 PolarHBondContact O-N 2.82Å
229A98Very high97.9Very high8 Ų819.1 Ų19.17%0.06611%0.106CC..THydrogen-bonded Turntrans-53.1-23.4179.200000115.2W109 H366 D367 V370W109-A229 HydrophobicContact CH2-CB 4.07Å; W109-A229 HydrophobicContact CZ2-CB 3.64Å; A229-H366 WeakPolarHBondContact CB-CE1 3.08Å; A229-H366 WeakPolarHBondContact CB-ND1 3.4Å; A229-D367 WeakPolarHBondContact CB-OD1 3.41Å; A229-V370 HydrophobicContact CB-CB 3.6Å; A229-V370 HydrophobicContact CB-CG1 3.95Å; A229-V370 HydrophobicContact CB-CG2 3.76Å; A229-V370 WeakPolarHBondContact O-CG1 3.46Å
230T96.5Very high97.8Very high84 Ų8420.7 Ų20.752%0.51511%0.113SC..THydrogen-bonded Turntrans-81.1-18-178.365.30000114.1F146 N228F146-T230 WeakPolarHBondContact CE2-OG1 3.29Å; F146-T230 VanDerWaalsContact CZ-OG1 3.25Å; F146-T230 WeakPolarHBondContact CZ-OG1 3.4Å; N228-T230 PolarHBondContact O-N 3.39Å; N228-T230 WeakPolarHBondContact OD1-CB 3.44Å; N228-T230 PolarHBondContact OD1-N 2.99Å; N228-T230 PolarHBondContact OD1-OG1 3.19Å
231N97.5Very high97.8Very high1 Ų124.7 Ų24.71%0.00513%0.134CC..THydrogen-bonded Turntrans-139.13.1-178.270.6-31.2000115F146 F227 N228 S233 H234 V235F146-N231 HydrophobicContact CD2-CB 4.49Å; F146-N231 VanDerWaalsContact CD2-ND2 3.3Å; F146-N231 WeakPolarHBondContact CD2-ND2 3.48Å; F146-N231 HydrophobicContact CE1-CB 4.09Å; F146-N231 HydrophobicContact CE2-CB 3.76Å; F146-N231 WeakPolarHBondContact CE2-ND2 3.46Å; F146-N231 WeakPolarHBondContact CE2-OD1 3.39Å; F146-N231 HydrophobicContact CZ-CB 3.52Å; F146-N231 VanDerWaalsContact CZ-CG 3.48Å; F146-N231 PolarHBondContact N-ND2 3.42Å; F227-N231 VanDerWaalsContact CA-OD1 3.3Å; F227-N231 WeakPolarHBondContact CA-OD1 3.49Å; F227-N231 VanDerWaalsContact CB-OD1 3.23Å; F227-N231 WeakPolarHBondContact CB-OD1 3.01Å; N228-N231 PolarHBondContact N-OD1 2.95Å; N228-N231 PolarHBondContact O-N 2.8Å; N228-N231 VanDerWaalsContact O-N 3.1Å; N228-N231 PolarHBondContact O-OD1 3.08Å; N231-S233 PolarHBondContact O-N 3Å; N231-H234 WeakPolarHBondContact O-CB 3.4Å; N231-H234 PolarHBondContact O-N 3.32Å; N231-V235 PolarHBondContact O-N 2.98Å
232V98.5Very high97.8Very high2 Ų226.1 Ų26.11%0.01214%0.141CC..Hα-helixtrans-58.7-28.6178.867.90000112.9W109 F227 N228 V235 W236 F278 L282 V370 I374W109-V232 HydrophobicContact CE3-CB 4.36Å; W109-V232 HydrophobicContact CE3-CG2 4.17Å; W109-V232 HydrophobicContact CH2-CG1 4.17Å; W109-V232 HydrophobicContact CZ3-CB 3.91Å; W109-V232 HydrophobicContact CZ3-CG1 3.92Å; W109-V232 HydrophobicContact CZ3-CG2 3.8Å; F227-V232 HydrophobicContact CD2-CG2 4.34Å; F227-V232 HydrophobicContact CE2-CG2 4.39Å; N228-V232 WeakPolarHBondContact O-CB 3.2Å; N228-V232 PolarHBondContact O-N 2.82Å; V232-V235 WeakPolarHBondContact O-CB 3.47Å; V232-V235 PolarHBondContact O-N 3Å; V232-W236 PolarHBondContact O-N 3.25Å; V232-F278 HydrophobicContact CG2-CE2 4.09Å; V232-F278 HydrophobicContact CG2-CZ 3.92Å; V232-L282 HydrophobicContact CG2-CD2 4.25Å; V232-V370 HydrophobicContact CG1-CG1 3.74Å; V232-I374 HydrophobicContact CG1-CB 4.39Å; V232-I374 HydrophobicContact CG1-CG1 4.38Å; V232-I374 HydrophobicContact CG1-CG2 4.27Å; V232-I374 HydrophobicContact CG2-CG1 4.33Å; V232-I374 HydrophobicContact CG2-CG2 4.46Å
233S97.9Very high97.8Very high50 Ų5026.3 Ų26.335%0.3514%0.142SC..Hα-helixtrans-62-42.7172.353.10000112.1N231 V235 W236 D237N231-S233 PolarHBondContact O-N 3Å; S233-V235 VanDerWaalsContact C-N 3.29Å; S233-V235 PolarHBondContact O-N 3.49Å; S233-W236 PolarHBondContact O-N 2.82Å; S233-D237 PolarHBondContact O-N 2.77Å
234H97.8Very high97.9Very high92 Ų9231.2 Ų31.243%0.42616%0.163SC..Hα-helixtrans-65.6-34.2175.7-58.4164000112.2S207 N231 W236 H238S207-H234 PolarHBondContact OG-ND1 3.25Å; N231-H234 WeakPolarHBondContact O-CB 3.4Å; N231-H234 PolarHBondContact O-N 3.32Å; H234-W236 VanDerWaalsContact C-N 3.33Å; H234-H238 WeakPolarHBondContact O-CB 3.21Å; H234-H238 PolarHBondContact O-N 3.11Å
235V98.4Very high97.9Very high3 Ų333.6 Ų33.62%0.01818%0.182CC..Hα-helixtrans-62.6-45.6173.6177.50000109.8Y143 F227 N231 V232 S233 H238 L239 F278Y143-V235 WeakPolarHBondContact O-CA 3.31Å; Y143-V235 WeakPolarHBondContact O-CG2 3.24Å; F227-V235 HydrophobicContact CB-CG2 3.79Å; F227-V235 HydrophobicContact CD1-CG1 4.36Å; F227-V235 HydrophobicContact CD1-CG2 3.78Å; F227-V235 HydrophobicContact CD2-CG2 4.37Å; F227-V235 HydrophobicContact CE1-CG1 4.16Å; F227-V235 HydrophobicContact CE1-CG2 4.4Å; F227-V235 HydrophobicContact CG-CG2 3.75Å; F227-V235 HydrophobicContact CZ-CG1 4.47Å; N231-V235 PolarHBondContact O-N 2.98Å; V232-V235 WeakPolarHBondContact O-CB 3.47Å; V232-V235 PolarHBondContact O-N 3Å; S233-V235 VanDerWaalsContact C-N 3.29Å; S233-V235 PolarHBondContact O-N 3.49Å; V235-H238 PolarHBondContact O-N 2.91Å; V235-L239 WeakPolarHBondContact O-CB 3.19Å; V235-L239 PolarHBondContact O-N 3.04Å; V235-F278 HydrophobicContact CB-CE2 4.44Å; V235-F278 HydrophobicContact CG1-CD2 4.28Å; V235-F278 HydrophobicContact CG1-CE2 3.76Å
236W98.4Very high97.9Very high6 Ų633.6 Ų33.62%0.02318%0.183CC..Hα-helixtrans-66-46178.9179.6-132000112.9V232 S233 H234 H238 L239 Q240 F275 F278 I374 F378 H381 V384V232-W236 PolarHBondContact O-N 3.25Å; S233-W236 PolarHBondContact O-N 2.82Å; H234-W236 VanDerWaalsContact C-N 3.33Å; W236-H238 VanDerWaalsContact C-N 3.32Å; W236-H238 PolarHBondContact O-N 3.41Å; W236-L239 HydrophobicContact CE3-CB 4.39Å; W236-L239 HydrophobicContact CE3-CD2 4.3Å; W236-L239 HydrophobicContact CZ3-CD2 4.24Å; W236-L239 PolarHBondContact O-N 3.02Å; W236-Q240 HydrophobicContact CD2-CG 4.06Å; W236-Q240 HydrophobicContact CE3-CG 4.2Å; W236-Q240 HydrophobicContact CH2-CG 3.84Å; W236-Q240 HydrophobicContact CZ2-CG 3.69Å; W236-Q240 HydrophobicContact CZ3-CG 4.09Å; W236-Q240 VanDerWaalsContact NE1-NE2 3.19Å; W236-Q240 WeakPolarHBondContact O-CG 3.47Å; W236-Q240 PolarHBondContact O-N 2.98Å; W236-Q240 PolarHBondContact O-NE2 3Å; W236-F275 HydrophobicContact CH2-CD1 4.39Å; W236-F275 HydrophobicContact CH2-CD2 4.04Å; W236-F275 AromaticContact CH2-CE1 3.96Å; W236-F275 HydrophobicContact CH2-CE1 3.96Å; W236-F275 AromaticContact CH2-CE2 3.56Å; W236-F275 HydrophobicContact CH2-CE2 3.56Å; W236-F275 HydrophobicContact CH2-CG 4.41Å; W236-F275 AromaticContact CH2-CZ 3.5Å; W236-F275 HydrophobicContact CH2-CZ 3.5Å; W236-F275 AromaticContact CZ3-CD1 3.9Å; W236-F275 HydrophobicContact CZ3-CD1 3.9Å; W236-F275 HydrophobicContact CZ3-CD2 4.33Å; W236-F275 AromaticContact CZ3-CE1 3.61Å; W236-F275 HydrophobicContact CZ3-CE1 3.61Å; W236-F275 HydrophobicContact CZ3-CE2 4.05Å; W236-F275 HydrophobicContact CZ3-CG 4.24Å; W236-F275 AromaticContact CZ3-CZ 3.66Å; W236-F275 HydrophobicContact CZ3-CZ 3.66Å; W236-F278 HydrophobicContact CB-CE1 4.1Å; W236-F278 HydrophobicContact CB-CZ 3.98Å; W236-F278 AromaticContact CD2-CE1 3.98Å; W236-F278 HydrophobicContact CD2-CE1 3.98Å; W236-F278 AromaticContact CE3-CD1 3.75Å; W236-F278 HydrophobicContact CE3-CD1 3.75Å; W236-F278 AromaticContact CE3-CE1 3.53Å; W236-F278 HydrophobicContact CE3-CE1 3.53Å; W236-F278 HydrophobicContact CE3-CZ 4.41Å; W236-F278 HydrophobicContact CG-CE1 4.24Å; W236-F278 HydrophobicContact CZ3-CD1 4.14Å; W236-F278 HydrophobicContact CZ3-CE1 4.32Å; W236-I374 HydrophobicContact CB-CD1 3.83Å; W236-I374 HydrophobicContact CB-CG1 4.37Å; W236-I374 HydrophobicContact CG-CD1 3.94Å; W236-F378 HydrophobicContact CD2-CD2 4.35Å; W236-F378 AromaticContact CE3-CD2 3.94Å; W236-F378 HydrophobicContact CE3-CD2 3.94Å; W236-F378 HydrophobicContact CE3-CE2 4.33Å; W236-F378 AromaticContact CH2-CD2 3.43Å; W236-F378 HydrophobicContact CH2-CD2 3.43Å; W236-F378 VanDerWaalsContact CH2-CD2 3.43Å; W236-F378 AromaticContact CH2-CE2 3.66Å; W236-F378 HydrophobicContact CH2-CE2 3.66Å; W236-F378 HydrophobicContact CH2-CG 4.49Å; W236-F378 AromaticContact CZ2-CD2 3.85Å; W236-F378 HydrophobicContact CZ2-CD2 3.85Å; W236-F378 HydrophobicContact CZ2-CE2 4.5Å; W236-F378 AromaticContact CZ3-CD2 3.49Å; W236-F378 HydrophobicContact CZ3-CD2 3.49Å; W236-F378 VanDerWaalsContact CZ3-CD2 3.49Å; W236-F378 AromaticContact CZ3-CE2 3.56Å; W236-F378 HydrophobicContact CZ3-CE2 3.56Å; W236-H381 HydrophobicContact CH2-CB 4.5Å; W236-H381 HydrophobicContact CZ2-CB 3.97Å; W236-H381 AromaticContact CZ2-CD2 3.76Å; W236-H381 AromaticContact CZ2-CG 3.84Å; W236-V384 HydrophobicContact CH2-CG2 4.36Å
237D98Very high97.9Very high84 Ų8435 Ų3545%0.44919%0.19SC..Hα-helixtrans-58.3-46.2175.3-70.6-22.8000111.1S233 L239 Q240 D241S233-D237 PolarHBondContact O-N 2.77Å; D237-L239 PolarHBondContact O-N 2.95Å; D237-Q240 PolarHBondContact O-N 3.03Å; D237-D241 PolarHBondContact O-N 3.19Å
238H97.5Very high97.9Very high26 Ų2638.4 Ų38.412%0.1222%0.217CC..Hα-helixtrans-61.9-43.9177.8178.260.4000112.2R144 H234 V235 W236 Q240 D241 Q242R144-H238 HydrophobicContact CB-CB 4.36Å; R144-H238 HydrophobicContact CG-CB 3.59Å; R144-H238 VanDerWaalsContact CG-CG 3.49Å; H234-H238 WeakPolarHBondContact O-CB 3.21Å; H234-H238 PolarHBondContact O-N 3.11Å; V235-H238 PolarHBondContact O-N 2.91Å; W236-H238 VanDerWaalsContact C-N 3.32Å; W236-H238 PolarHBondContact O-N 3.41Å; H238-Q240 VanDerWaalsContact C-N 3.34Å; H238-Q240 PolarHBondContact O-N 3.25Å; H238-D241 PolarHBondContact O-N 3.39Å; H238-Q242 VanDerWaalsContact CE1-CD 3.41Å; H238-Q242 PolarHBondContact CE1-NE2 3.18Å; H238-Q242 PolarHBondContact ND1-NE2 3.33Å; H238-Q242 WeakPolarHBondContact O-CG 3.35Å; H238-Q242 PolarHBondContact O-N 2.93Å
239L98.1Very high97.9Very high3 Ų341.5 Ų41.52%0.01624%0.241CC..Hα-helixtrans-64.7-39.3-179.4-168.461.9000111.7V235 W236 D237 Q242 L243 L267 A271 I273 F275 F278V235-L239 WeakPolarHBondContact O-CB 3.19Å; V235-L239 PolarHBondContact O-N 3.04Å; W236-L239 HydrophobicContact CE3-CB 4.39Å; W236-L239 HydrophobicContact CE3-CD2 4.3Å; W236-L239 HydrophobicContact CZ3-CD2 4.24Å; W236-L239 PolarHBondContact O-N 3.02Å; D237-L239 PolarHBondContact O-N 2.95Å; L239-Q242 PolarHBondContact O-N 3.43Å; L239-L243 PolarHBondContact O-N 3.49Å; L239-L267 HydrophobicContact CD1-CD1 4.1Å; L239-L267 HydrophobicContact CD1-CD2 3.99Å; L239-L267 HydrophobicContact CD1-CG 4.2Å; L239-L267 HydrophobicContact CG-CD2 4.4Å; L239-A271 HydrophobicContact CD1-CB 4.42Å; L239-I273 HydrophobicContact CD1-CG2 3.67Å; L239-I273 WeakPolarHBondContact CD1-O 3.45Å; L239-I273 HydrophobicContact CD2-CG2 4.24Å; L239-F275 HydrophobicContact CD2-CD1 3.76Å; L239-F275 HydrophobicContact CD2-CE1 4.09Å; L239-F275 HydrophobicContact CG-CD1 3.89Å; L239-F275 HydrophobicContact CG-CE1 3.79Å; L239-F278 HydrophobicContact CD2-CB 3.72Å; L239-F278 HydrophobicContact CD2-CD1 4.24Å; L239-F278 HydrophobicContact CD2-CD2 4.45Å; L239-F278 HydrophobicContact CD2-CG 3.9Å
240Q98.4Very high97.8Very high33 Ų3342.5 Ų42.515%0.15425%0.246CC..Hα-helixtrans-62-43.2172.2-71173.29000111.7W236 D237 H238 L243 K244 F275 H381W236-Q240 HydrophobicContact CD2-CG 4.06Å; W236-Q240 HydrophobicContact CE3-CG 4.2Å; W236-Q240 HydrophobicContact CH2-CG 3.84Å; W236-Q240 HydrophobicContact CZ2-CG 3.69Å; W236-Q240 HydrophobicContact CZ3-CG 4.09Å; W236-Q240 VanDerWaalsContact NE1-NE2 3.19Å; W236-Q240 WeakPolarHBondContact O-CG 3.47Å; W236-Q240 PolarHBondContact O-N 2.98Å; W236-Q240 PolarHBondContact O-NE2 3Å; D237-Q240 PolarHBondContact O-N 3.03Å; H238-Q240 VanDerWaalsContact C-N 3.34Å; H238-Q240 PolarHBondContact O-N 3.25Å; Q240-L243 PolarHBondContact O-N 3.08Å; Q240-K244 WeakPolarHBondContact O-CG 3.4Å; Q240-K244 PolarHBondContact O-N 3.08Å; Q240-F275 HydrophobicContact CG-CZ 4.3Å; Q240-H381 PolarHBondContact OE1-CD2 3.36Å; Q240-H381 VanDerWaalsContact OE1-CD2 3.3Å; Q240-H381 PolarHBondContact OE1-NE2 3.3Å
241D97.6Very high97.8Very high84 Ų8445.5 Ų45.545%0.44925%0.252SS..Hα-helixtrans-67.8-36178.1-74.4-13.6000112.6D237 H238 K244 A245D237-D241 PolarHBondContact O-N 3.19Å; H238-D241 PolarHBondContact O-N 3.39Å; D241-K244 PolarHBondContact O-N 2.88Å; D241-K244 IonicContact OD1-NZ 3.25Å; D241-K244 PolarHBondContact OD1-NZ 3.21Å; D241-A245 PolarHBondContact O-N 3.46Å; D241-A245 VanDerWaalsContact O-N 3.11Å
242Q97.9Very high97.8Very high31 Ų3151.9 Ų51.915%0.14529%0.286CS..Hα-helixtrans-65-41.5172.3-65.3-38.7-80.500111.3H238 L239 A245 V246 L267 A271H238-Q242 VanDerWaalsContact CE1-CD 3.41Å; H238-Q242 PolarHBondContact CE1-NE2 3.18Å; H238-Q242 PolarHBondContact ND1-NE2 3.33Å; H238-Q242 WeakPolarHBondContact O-CG 3.35Å; H238-Q242 PolarHBondContact O-N 2.93Å; L239-Q242 PolarHBondContact O-N 3.43Å; Q242-A245 WeakPolarHBondContact O-CB 3.23Å; Q242-A245 PolarHBondContact O-N 2.84Å; Q242-V246 WeakPolarHBondContact O-CG2 3.28Å; Q242-V246 PolarHBondContact O-N 2.78Å; Q242-L267 HydrophobicContact CB-CD1 3.58Å; Q242-A271 HydrophobicContact CB-CB 4.04Å; Q242-A271 HydrophobicContact CG-CB 3.96Å
243L98.4Very high97.8Very high3 Ų354.5 Ų54.52%0.01630%0.302CS..Hα-helixtrans-61.6-45.6175.9179.359.7000111.5L239 Q240 A245 V246 E247 C263 L267 F275 I383L239-L243 PolarHBondContact O-N 3.49Å; Q240-L243 PolarHBondContact O-N 3.08Å; L243-A245 PolarHBondContact O-N 2.91Å; L243-V246 WeakPolarHBondContact O-CB 3.49Å; L243-V246 PolarHBondContact O-N 3.12Å; L243-V246 VanDerWaalsContact O-N 3.09Å; L243-E247 HydrophobicContact CD1-CG 4.12Å; L243-E247 HydrophobicContact CG-CG 4.29Å; L243-E247 WeakPolarHBondContact O-CG 3.39Å; L243-E247 PolarHBondContact O-N 3.41Å; L243-C263 HydrophobicContact CD1-CB 4.02Å; L243-L267 HydrophobicContact CB-CD1 4.39Å; L243-L267 HydrophobicContact CB-CD2 4.12Å; L243-L267 HydrophobicContact CD1-CD2 4.24Å; L243-F275 HydrophobicContact CB-CE1 4.18Å; L243-F275 HydrophobicContact CB-CZ 4.24Å; L243-F275 HydrophobicContact CD2-CD2 4.36Å; L243-F275 HydrophobicContact CD2-CE1 3.82Å; L243-F275 HydrophobicContact CD2-CE2 3.6Å; L243-F275 HydrophobicContact CD2-CZ 3.3Å; L243-F275 HydrophobicContact CG-CZ 4.41Å; L243-I383 HydrophobicContact CD2-CB 4.35Å; L243-I383 HydrophobicContact CD2-CG1 4.29Å; L243-I383 HydrophobicContact CD2-CG2 3.97Å
244K98.1Very high97.7Very high114 Ų11454.8 Ų54.850%0.49630%0.304SS..Hα-helixtrans-58-37.6176-69.9168.8-164156.70112.1Q240 D241 A248Q240-K244 WeakPolarHBondContact O-CG 3.4Å; Q240-K244 PolarHBondContact O-N 3.08Å; D241-K244 PolarHBondContact O-N 2.88Å; D241-K244 IonicContact OD1-NZ 3.25Å; D241-K244 PolarHBondContact OD1-NZ 3.21Å; K244-A248 VanDerWaalsContact O-CB 3.25Å; K244-A248 WeakPolarHBondContact O-CB 3.32Å; K244-A248 PolarHBondContact O-N 3.21Å
245A97Very high97.7Very high49 Ų4955.6 Ų55.641%0.40532%0.32SS..Hα-helixtrans-66.6-42176.100000111.8D241 Q242 L243 A248 S249D241-A245 PolarHBondContact O-N 3.46Å; D241-A245 VanDerWaalsContact O-N 3.11Å; Q242-A245 WeakPolarHBondContact O-CB 3.23Å; Q242-A245 PolarHBondContact O-N 2.84Å; L243-A245 PolarHBondContact O-N 2.91Å; A245-A248 PolarHBondContact O-N 3.25Å; A245-S249 WeakPolarHBondContact O-CB 3.42Å; A245-S249 PolarHBondContact O-N 2.98Å; A245-S249 PolarHBondContact O-OG 3.41Å
246V98.2Very high97.5Very high7 Ų760.3 Ų60.34%0.04234%0.344CS..Hα-helixtrans-62.1-48.7174.2171.20000111Q242 L243 A248 S249 T250 C263 C266 Y270Q242-V246 WeakPolarHBondContact O-CG2 3.28Å; Q242-V246 PolarHBondContact O-N 2.78Å; L243-V246 WeakPolarHBondContact O-CB 3.49Å; L243-V246 PolarHBondContact O-N 3.12Å; L243-V246 VanDerWaalsContact O-N 3.09Å; V246-A248 VanDerWaalsContact C-N 3.33Å; V246-A248 PolarHBondContact O-N 3.05Å; V246-S249 PolarHBondContact O-N 3.43Å; V246-S249 VanDerWaalsContact O-N 3.13Å; V246-S249 PolarHBondContact O-OG 3.13Å; V246-T250 PolarHBondContact O-N 3.49Å; V246-T250 PolarHBondContact O-OG1 2.59Å; V246-C263 HydrophobicContact CG1-CB 3.99Å; V246-C266 HydrophobicContact CG1-CB 3.5Å; V246-C266 VanDerWaalsContact CG1-CB 3.5Å; V246-C266 HydrophobicContact CG2-CB 4.44Å; V246-Y270 HydrophobicContact CG2-CD1 4.3Å
247E98Very high97.5Very high35 Ų3566 Ų6616%0.16438%0.382CS..Hα-helixtrans-59.9-42.6177-72.9179.3151.300111.3L243 S249 T250 K251 W259 H260 C263L243-E247 HydrophobicContact CD1-CG 4.12Å; L243-E247 HydrophobicContact CG-CG 4.29Å; L243-E247 WeakPolarHBondContact O-CG 3.39Å; L243-E247 PolarHBondContact O-N 3.41Å; E247-S249 VanDerWaalsContact C-N 3.32Å; E247-S249 PolarHBondContact O-N 2.91Å; E247-T250 PolarHBondContact O-N 3.35Å; E247-K251 WeakPolarHBondContact O-CA 3.42Å; E247-K251 WeakPolarHBondContact O-CB 3.45Å; E247-K251 PolarHBondContact O-N 3.3Å; E247-W259 HydrophobicContact CB-CH2 3.77Å; E247-W259 HydrophobicContact CB-CZ2 4.03Å; E247-W259 HydrophobicContact CG-CH2 3.84Å; E247-W259 HydrophobicContact CG-CZ2 4.23Å; E247-W259 HydrophobicContact CG-CZ3 4.45Å; E247-W259 WeakPolarHBondContact O-CZ2 3.33Å; E247-H260 IonicContact OE1-CE1 3.74Å; E247-H260 IonicContact OE1-ND1 3.8Å; E247-C263 HydrophobicContact CG-CB 4.45Å
248A97.9Very high97.4Very high70 Ų7063.5 Ų63.558%0.57938%0.376SS*.Hα-helixtrans-63-39175.400000112.3K244 A245 V246 T250K244-A248 VanDerWaalsContact O-CB 3.25Å; K244-A248 WeakPolarHBondContact O-CB 3.32Å; K244-A248 PolarHBondContact O-N 3.21Å; A245-A248 PolarHBondContact O-N 3.25Å; V246-A248 VanDerWaalsContact C-N 3.33Å; V246-A248 PolarHBondContact O-N 3.05Å; A248-T250 VanDerWaalsContact C-N 3.3Å; A248-T250 PolarHBondContact O-N 3.36Å
249S97.2Very high97.4Very high87 Ų8764 Ų6461%0.60838%0.376SS*.Hα-helixtrans-72.8-20.118073.40000114.4A245 V246 E247A245-S249 WeakPolarHBondContact O-CB 3.42Å; A245-S249 PolarHBondContact O-N 2.98Å; A245-S249 PolarHBondContact O-OG 3.41Å; V246-S249 PolarHBondContact O-N 3.43Å; V246-S249 VanDerWaalsContact O-N 3.13Å; V246-S249 PolarHBondContact O-OG 3.13Å; E247-S249 VanDerWaalsContact C-N 3.32Å; E247-S249 PolarHBondContact O-N 2.91Å
250T96.9Very high97.3Very high29 Ų2966.1 Ų66.118%0.17839%0.386CS..THydrogen-bonded Turntrans-116.414.8-177.157.20000112.4V246 E247 A248 D252 V253 W259V246-T250 PolarHBondContact O-N 3.49Å; V246-T250 PolarHBondContact O-OG1 2.59Å; E247-T250 PolarHBondContact O-N 3.35Å; A248-T250 VanDerWaalsContact C-N 3.3Å; A248-T250 PolarHBondContact O-N 3.36Å; T250-D252 PolarHBondContact O-N 3.38Å; T250-V253 WeakPolarHBondContact O-CG2 3.49Å; T250-V253 PolarHBondContact O-N 3.28Å; T250-V253 VanDerWaalsContact O-N 3.14Å; T250-W259 PolarHBondContact O-NE1 3.4Å; T250-W259 VanDerWaalsContact O-NE1 3.08Å; T250-W259 PolarHBondContact OG1-NE1 2.93Å
251K97.2Very high97.3Very high146 Ų14669.2 Ų69.264%0.63540%0.401SS*.G310 helixtrans-62.8-30.8-172-174.6173.9-179.3177.40113.2E247 V253 S254E247-K251 WeakPolarHBondContact O-CA 3.42Å; E247-K251 WeakPolarHBondContact O-CB 3.45Å; E247-K251 PolarHBondContact O-N 3.3Å; K251-V253 PolarHBondContact O-N 3.39Å; K251-S254 VanDerWaalsContact O-CB 3.31Å; K251-S254 WeakPolarHBondContact O-CB 3.48Å; K251-S254 PolarHBondContact O-N 2.8Å; K251-S254 PolarHBondContact O-OG 3.15Å
252D97.5Very high97.3Very high136 Ų13670.6 Ų70.673%0.72740%0.404SS*.G310 helixtrans-61.3-24.4177.861.8-45000113.3T250T250-D252 PolarHBondContact O-N 3.38Å
253V96.7Very high97.4Very high57 Ų5769.2 Ų69.235%0.34540%0.398SS..G310 helixtrans-108.813.1177.5-62.40000113.9T250 K251 S255 I256T250-V253 WeakPolarHBondContact O-CG2 3.49Å; T250-V253 PolarHBondContact O-N 3.28Å; T250-V253 VanDerWaalsContact O-N 3.14Å; K251-V253 PolarHBondContact O-N 3.39Å; V253-S255 PolarHBondContact O-N 2.86Å; V253-I256 HydrophobicContact CB-CD1 3.84Å; V253-I256 HydrophobicContact CB-CG1 4.38Å; V253-I256 HydrophobicContact CG1-CD1 4.25Å; V253-I256 WeakPolarHBondContact O-CB 3.29Å; V253-I256 WeakPolarHBondContact O-CG1 3.12Å; V253-I256 PolarHBondContact O-N 3.03Å; V253-I256 VanDerWaalsContact O-N 3.08Å
254S96.8Very high97.3Very high55 Ų5569.7 Ų69.739%0.38540%0.401SS..THydrogen-bonded Turntrans-62.6-14.3-176.157.40000116.2K251 I256K251-S254 VanDerWaalsContact O-CB 3.31Å; K251-S254 WeakPolarHBondContact O-CB 3.48Å; K251-S254 PolarHBondContact O-N 2.8Å; K251-S254 PolarHBondContact O-OG 3.15Å; S254-I256 VanDerWaalsContact C-N 3.34Å
255S96.8Very high97.3Very high110 Ų11069 Ų6977%0.76940%0.401SS*.THydrogen-bonded Turntrans-82.1-10.3176.257.20000113.8V253V253-S255 PolarHBondContact O-N 2.86Å
256I96.1Very high97.4Very high101 Ų10169.4 Ų69.452%0.51840%0.4SS..SBendtrans-72.4129.5179.5-60.1-178.6000109.3V253 S254 G258 W259V253-I256 HydrophobicContact CB-CD1 3.84Å; V253-I256 HydrophobicContact CB-CG1 4.38Å; V253-I256 HydrophobicContact CG1-CD1 4.25Å; V253-I256 WeakPolarHBondContact O-CB 3.29Å; V253-I256 WeakPolarHBondContact O-CG1 3.12Å; V253-I256 PolarHBondContact O-N 3.03Å; V253-I256 VanDerWaalsContact O-N 3.08Å; S254-I256 VanDerWaalsContact C-N 3.34Å; I256-G258 PolarHBondContact O-N 3.27Å; I256-W259 VanDerWaalsContact O-CB 3.31Å; I256-W259 WeakPolarHBondContact O-CB 3.28Å; I256-W259 PolarHBondContact O-N 3.36Å; I256-W259 VanDerWaalsContact O-N 3.17Å
257P96.7Very high97.4Very high126 Ų12669 Ų6982%0.81840%0.398SS*.THydrogen-bonded Turntrans-56.4135.3174-24.534.1000111.5
258G95.9Very high97.3Very high31 Ų3171.4 Ų71.432%0.3241%0.405SS..THydrogen-bonded Turntrans86.67.4-176.300000114.6I256 H260 E261 E262I256-G258 PolarHBondContact O-N 3.27Å; G258-H260 VanDerWaalsContact C-N 3.3Å; G258-H260 PolarHBondContact O-N 3.49Å; G258-E261 WeakPolarHBondContact CA-OE2 3.14Å; G258-E261 WeakPolarHBondContact O-CB 3.49Å; G258-E261 PolarHBondContact O-N 2.92Å; G258-E261 VanDerWaalsContact O-N 3.13Å; G258-E262 PolarHBondContact O-N 3.42Å
259W97.8Very high97.2Very high36 Ų3672.3 Ų72.314%0.13641%0.413CS..Hα-helixtrans-56.4-40.3-177.5177.168.3000113.5E247 T250 I256 E261 E262 C263E247-W259 HydrophobicContact CB-CH2 3.77Å; E247-W259 HydrophobicContact CB-CZ2 4.03Å; E247-W259 HydrophobicContact CG-CH2 3.84Å; E247-W259 HydrophobicContact CG-CZ2 4.23Å; E247-W259 HydrophobicContact CG-CZ3 4.45Å; E247-W259 WeakPolarHBondContact O-CZ2 3.33Å; T250-W259 PolarHBondContact O-NE1 3.4Å; T250-W259 VanDerWaalsContact O-NE1 3.08Å; T250-W259 PolarHBondContact OG1-NE1 2.93Å; I256-W259 VanDerWaalsContact O-CB 3.31Å; I256-W259 WeakPolarHBondContact O-CB 3.28Å; I256-W259 PolarHBondContact O-N 3.36Å; I256-W259 VanDerWaalsContact O-N 3.17Å; W259-E261 VanDerWaalsContact C-N 3.33Å; W259-E261 PolarHBondContact O-N 2.95Å; W259-E262 PolarHBondContact O-N 2.87Å; W259-C263 VanDerWaalsContact CE2-SG 3.55Å; W259-C263 PolarHBondContact O-N 3.21Å; W259-C263 PolarHBondContact O-SG 2.97Å
260H97.4Very high97.1Very high48 Ų4875.8 Ų75.822%0.22241%0.414CS..Hα-helixtrans-66.2-36.3178.7-71.7-66000112.2E247 G258 C263 Q264 L387E247-H260 IonicContact OE1-CE1 3.74Å; E247-H260 IonicContact OE1-ND1 3.8Å; G258-H260 VanDerWaalsContact C-N 3.3Å; G258-H260 PolarHBondContact O-N 3.49Å; H260-C263 WeakPolarHBondContact O-CB 3.3Å; H260-C263 PolarHBondContact O-N 3.32Å; H260-Q264 WeakPolarHBondContact O-CG 3.4Å; H260-Q264 PolarHBondContact O-N 3.1Å; H260-Q264 VanDerWaalsContact O-N 3.12Å; H260-L387 HydrophobicContact CB-CD2 3.87Å
261E97.6Very high97Very high99 Ų9975.1 Ų75.146%0.46341%0.411SS..Hα-helixtrans-64.9-44.1174.7-6682.4165.200110.9G258 W259 C263 Q264 I265 L387G258-E261 WeakPolarHBondContact CA-OE2 3.14Å; G258-E261 WeakPolarHBondContact O-CB 3.49Å; G258-E261 PolarHBondContact O-N 2.92Å; G258-E261 VanDerWaalsContact O-N 3.13Å; W259-E261 VanDerWaalsContact C-N 3.33Å; W259-E261 PolarHBondContact O-N 2.95Å; E261-C263 PolarHBondContact O-N 3.42Å; E261-Q264 WeakPolarHBondContact O-CB 3.45Å; E261-Q264 PolarHBondContact O-N 3.44Å; E261-I265 PolarHBondContact O-N 3.25Å; E261-L387 HydrophobicContact CG-CD2 3.86Å
262E97.9Very high96.9Very high112 Ų11269.5 Ų69.552%0.52340%0.395SS..Hα-helixtrans-64.2-38.5174.1-67-58.8146.800111.9G258 W259 Q264 I265 C266G258-E262 PolarHBondContact O-N 3.42Å; W259-E262 PolarHBondContact O-N 2.87Å; E262-Q264 PolarHBondContact O-N 2.87Å; E262-I265 WeakPolarHBondContact O-CB 3.4Å; E262-I265 PolarHBondContact O-N 3.38Å; E262-C266 PolarHBondContact O-N 3.19Å
263C98.4Very high96.9Very high2 Ų263.1 Ų63.11%0.01436%0.361CS..Hα-helixtrans-59-33.1171.3-69.90000112L243 V246 E247 W259 H260 E261 C266 L267L243-C263 HydrophobicContact CD1-CB 4.02Å; V246-C263 HydrophobicContact CG1-CB 3.99Å; E247-C263 HydrophobicContact CG-CB 4.45Å; W259-C263 VanDerWaalsContact CE2-SG 3.55Å; W259-C263 PolarHBondContact O-N 3.21Å; W259-C263 PolarHBondContact O-SG 2.97Å; H260-C263 WeakPolarHBondContact O-CB 3.3Å; H260-C263 PolarHBondContact O-N 3.32Å; E261-C263 PolarHBondContact O-N 3.42Å; C263-C266 PolarHBondContact O-N 3.41Å; C263-L267 WeakPolarHBondContact O-CB 3.17Å; C263-L267 PolarHBondContact O-N 2.9Å
264Q98.3Very high96.9Very high14 Ų1461.5 Ų61.57%0.06535%0.35CS..Hα-helixtrans-69.8-31.5174.6-65.3-58.3-56.500112.8H260 E261 E262 R268 N274 L387H260-Q264 WeakPolarHBondContact O-CG 3.4Å; H260-Q264 PolarHBondContact O-N 3.1Å; H260-Q264 VanDerWaalsContact O-N 3.12Å; E261-Q264 WeakPolarHBondContact O-CB 3.45Å; E261-Q264 PolarHBondContact O-N 3.44Å; E262-Q264 PolarHBondContact O-N 2.87Å; Q264-R268 WeakPolarHBondContact O-CB 3.49Å; Q264-R268 PolarHBondContact O-N 3.14Å; Q264-N274 HydrophobicContact CB-CB 4.3Å; Q264-L387 HydrophobicContact CG-CD1 3.59Å; Q264-L387 HydrophobicContact CG-CD2 4.44Å
265I97.8Very high97Very high100 Ų10058.9 Ų58.951%0.51333%0.332SS..Hα-helixtrans-66.9-49.2173.8-61.2177.6000109.5E261 E262 L267 R268 A269E261-I265 PolarHBondContact O-N 3.25Å; E262-I265 WeakPolarHBondContact O-CB 3.4Å; E262-I265 PolarHBondContact O-N 3.38Å; I265-L267 VanDerWaalsContact C-N 3.35Å; I265-L267 PolarHBondContact O-N 2.92Å; I265-R268 PolarHBondContact O-N 3.43Å; I265-A269 PolarHBondContact O-N 3.01Å
266C98Very high97Very high56 Ų5656.5 Ų56.538%0.37831%0.308SS..Hα-helixtrans-59.9-43.6175.2-71.10000112V246 E262 C263 R268 A269 Y270V246-C266 HydrophobicContact CG1-CB 3.5Å; V246-C266 VanDerWaalsContact CG1-CB 3.5Å; V246-C266 HydrophobicContact CG2-CB 4.44Å; E262-C266 PolarHBondContact O-N 3.19Å; C263-C266 PolarHBondContact O-N 3.41Å; C266-R268 VanDerWaalsContact C-N 3.34Å; C266-R268 PolarHBondContact O-N 3.45Å; C266-A269 PolarHBondContact O-N 3.42Å; C266-Y270 VanDerWaalsContact O-CB 3.26Å; C266-Y270 WeakPolarHBondContact O-CB 3.3Å; C266-Y270 PolarHBondContact O-N 2.86Å
267L98.3Very high97.1Very high0 Ų052 Ų520%028%0.284CS..Hα-helixtrans-59.3-45.417617964.1000111.2L239 Q242 L243 C263 I265 A269 Y270 A271 F275L239-L267 HydrophobicContact CD1-CD1 4.1Å; L239-L267 HydrophobicContact CD1-CD2 3.99Å; L239-L267 HydrophobicContact CD1-CG 4.2Å; L239-L267 HydrophobicContact CG-CD2 4.4Å; Q242-L267 HydrophobicContact CB-CD1 3.58Å; L243-L267 HydrophobicContact CB-CD1 4.39Å; L243-L267 HydrophobicContact CB-CD2 4.12Å; L243-L267 HydrophobicContact CD1-CD2 4.24Å; C263-L267 WeakPolarHBondContact O-CB 3.17Å; C263-L267 PolarHBondContact O-N 2.9Å; I265-L267 VanDerWaalsContact C-N 3.35Å; I265-L267 PolarHBondContact O-N 2.92Å; L267-A269 VanDerWaalsContact C-N 3.34Å; L267-A269 PolarHBondContact O-N 3.5Å; L267-Y270 PolarHBondContact O-N 3.4Å; L267-A271 HydrophobicContact CD1-CB 3.78Å; L267-A271 HydrophobicContact CG-CB 4.47Å; L267-A271 WeakPolarHBondContact O-CA 3.25Å; L267-A271 VanDerWaalsContact O-CB 3.32Å; L267-A271 WeakPolarHBondContact O-CB 3.19Å; L267-A271 PolarHBondContact O-N 2.93Å; L267-F275 HydrophobicContact CD2-CD1 3.85Å; L267-F275 HydrophobicContact CD2-CE1 4.04Å
268R96.9Very high97.2Very high84 Ų8446 Ų4632%0.31725%0.245SC..Hα-helixtrans-61.4-43.8177.6-163-171.3180-67-5.6111.7Q264 I265 C266 Y270 G272 N274 E277Q264-R268 WeakPolarHBondContact O-CB 3.49Å; Q264-R268 PolarHBondContact O-N 3.14Å; I265-R268 PolarHBondContact O-N 3.43Å; C266-R268 VanDerWaalsContact C-N 3.34Å; C266-R268 PolarHBondContact O-N 3.45Å; R268-Y270 VanDerWaalsContact C-N 3.34Å; R268-G272 CarbonylContact O-C 3.57Å; R268-G272 WeakPolarHBondContact O-CA 3.38Å; R268-G272 PolarHBondContact O-N 3.36Å; R268-N274 HydrophobicContact CB-CB 4.1Å; R268-E277 WeakPolarHBondContact CD-OE2 3.31Å; R268-E277 WeakPolarHBondContact CG-OE2 3.38Å; R268-E277 IonicContact CZ-OE1 3.41Å; R268-E277 IonicContact CZ-OE2 2.84Å; R268-E277 VanDerWaalsContact NE-CD 3.32Å; R268-E277 IonicContact NE-OE1 2.67Å; R268-E277 PolarHBondContact NE-OE1 2.96Å; R268-E277 IonicContact NE-OE2 3.13Å; R268-E277 PolarHBondContact NE-OE2 2.86Å; R268-E277 IonicContact NH2-OE1 2.77Å; R268-E277 PolarHBondContact NH2-OE1 3.27Å; R268-E277 IonicContact NH2-OE2 2.67Å
269A96Very high97.3Very high90 Ų9044.8 Ų44.874%0.74423%0.231SC*.Hα-helixtrans-66.9-36.2179.800000112.4I265 C266 L267I265-A269 PolarHBondContact O-N 3.01Å; C266-A269 PolarHBondContact O-N 3.42Å; L267-A269 VanDerWaalsContact C-N 3.34Å; L267-A269 PolarHBondContact O-N 3.5Å
270Y94.2Very high97.3Very high159 Ų15943 Ų4362%0.62423%0.225SC*.Hα-helixtrans-88.1-48.5-175.2177.7-121.9000113.6V246 C266 L267 R268V246-Y270 HydrophobicContact CG2-CD1 4.3Å; C266-Y270 VanDerWaalsContact O-CB 3.26Å; C266-Y270 WeakPolarHBondContact O-CB 3.3Å; C266-Y270 PolarHBondContact O-N 2.86Å; L267-Y270 PolarHBondContact O-N 3.4Å; R268-Y270 VanDerWaalsContact C-N 3.34Å
271A95Very high97.3Very high15 Ų1540.8 Ų40.812%0.12421%0.214CC..Hα-helixtrans-92.2-16.4-176.900000113.2Y143 L239 Q242 L267Y143-A271 WeakPolarHBondContact CD1-O 3.25Å; Y143-A271 WeakPolarHBondContact CE1-O 3.37Å; L239-A271 HydrophobicContact CD1-CB 4.42Å; Q242-A271 HydrophobicContact CB-CB 4.04Å; Q242-A271 HydrophobicContact CG-CB 3.96Å; L267-A271 HydrophobicContact CD1-CB 3.78Å; L267-A271 HydrophobicContact CG-CB 4.47Å; L267-A271 WeakPolarHBondContact O-CA 3.25Å; L267-A271 VanDerWaalsContact O-CB 3.32Å; L267-A271 WeakPolarHBondContact O-CB 3.19Å; L267-A271 PolarHBondContact O-N 2.93Å
272G94.5Very high97.4Very high28 Ų2836 Ų3629%0.28919%0.192SC..SBendtrans90.9-7.8-179.500000115Y143 R268Y143-G272 PolarHBondContact OH-O 2.68Å; R268-G272 CarbonylContact O-C 3.57Å; R268-G272 WeakPolarHBondContact O-CA 3.38Å; R268-G272 PolarHBondContact O-N 3.36Å
273I97Very high97.4Very high2 Ų231 Ų311%0.0117%0.168CC..  trans-151.1147.8178.2-162.4173.4000108.9Y143 L239 E277 F278 I281Y143-I273 HydrophobicContact CD1-CB 4.4Å; Y143-I273 HydrophobicContact CD1-CG2 3.67Å; Y143-I273 HydrophobicContact CE1-CB 3.58Å; Y143-I273 HydrophobicContact CE1-CG2 3.33Å; L239-I273 HydrophobicContact CD1-CG2 3.67Å; L239-I273 WeakPolarHBondContact CD1-O 3.45Å; L239-I273 HydrophobicContact CD2-CG2 4.24Å; I273-E277 HydrophobicContact CD1-CB 4.01Å; I273-E277 HydrophobicContact CG1-CB 3.44Å; I273-E277 VanDerWaalsContact CG1-CB 3.44Å; I273-F278 HydrophobicContact CD1-CB 4.19Å; I273-I281 HydrophobicContact CD1-CD1 3.62Å
274N97.8Very high97.4Very high23 Ų2331.5 Ų31.512%0.12317%0.17CC..  trans-109.3176171.665.324.6000112.1Q264 R268 K276 E277 F278Q264-N274 HydrophobicContact CB-CB 4.3Å; R268-N274 HydrophobicContact CB-CB 4.1Å; N274-K276 VanDerWaalsContact C-N 3.25Å; N274-K276 PolarHBondContact O-N 3.2Å; N274-K276 WeakPolarHBondContact OD1-CB 3.37Å; N274-K276 PolarHBondContact OD1-N 3.46Å; N274-E277 PolarHBondContact N-OE2 3.31Å; N274-E277 PolarHBondContact O-N 2.84Å; N274-E277 WeakPolarHBondContact OD1-CB 3.44Å; N274-E277 WeakPolarHBondContact OD1-CG 3.43Å; N274-E277 PolarHBondContact OD1-N 3.21Å; N274-F278 WeakPolarHBondContact O-CB 3.39Å; N274-F278 PolarHBondContact O-N 3.24Å
275F98.3Very high97.3Very high0 Ų030.9 Ų30.90%017%0.167CC..Hα-helixtrans-61.4-35-179.2-78.618.4000112.2W236 L239 Q240 L243 L267 F278 F279 F378 H381 I383 V384 L389W236-F275 HydrophobicContact CH2-CD1 4.39Å; W236-F275 HydrophobicContact CH2-CD2 4.04Å; W236-F275 AromaticContact CH2-CE1 3.96Å; W236-F275 HydrophobicContact CH2-CE1 3.96Å; W236-F275 AromaticContact CH2-CE2 3.56Å; W236-F275 HydrophobicContact CH2-CE2 3.56Å; W236-F275 HydrophobicContact CH2-CG 4.41Å; W236-F275 AromaticContact CH2-CZ 3.5Å; W236-F275 HydrophobicContact CH2-CZ 3.5Å; W236-F275 AromaticContact CZ3-CD1 3.9Å; W236-F275 HydrophobicContact CZ3-CD1 3.9Å; W236-F275 HydrophobicContact CZ3-CD2 4.33Å; W236-F275 AromaticContact CZ3-CE1 3.61Å; W236-F275 HydrophobicContact CZ3-CE1 3.61Å; W236-F275 HydrophobicContact CZ3-CE2 4.05Å; W236-F275 HydrophobicContact CZ3-CG 4.24Å; W236-F275 AromaticContact CZ3-CZ 3.66Å; W236-F275 HydrophobicContact CZ3-CZ 3.66Å; L239-F275 HydrophobicContact CD2-CD1 3.76Å; L239-F275 HydrophobicContact CD2-CE1 4.09Å; L239-F275 HydrophobicContact CG-CD1 3.89Å; L239-F275 HydrophobicContact CG-CE1 3.79Å; Q240-F275 HydrophobicContact CG-CZ 4.3Å; L243-F275 HydrophobicContact CB-CE1 4.18Å; L243-F275 HydrophobicContact CB-CZ 4.24Å; L243-F275 HydrophobicContact CD2-CD2 4.36Å; L243-F275 HydrophobicContact CD2-CE1 3.82Å; L243-F275 HydrophobicContact CD2-CE2 3.6Å; L243-F275 HydrophobicContact CD2-CZ 3.3Å; L243-F275 HydrophobicContact CG-CZ 4.41Å; L267-F275 HydrophobicContact CD2-CD1 3.85Å; L267-F275 HydrophobicContact CD2-CE1 4.04Å; F275-F278 PolarHBondContact O-N 3.29Å; F275-F279 WeakPolarHBondContact O-CB 3.36Å; F275-F279 PolarHBondContact O-N 3.01Å; F275-F378 HydrophobicContact CB-CE2 4.09Å; F275-F378 HydrophobicContact CB-CZ 4.01Å; F275-F378 HydrophobicContact CD2-CE2 4.37Å; F275-F378 HydrophobicContact CG-CE2 4.23Å; F275-F378 VanDerWaalsContact O-CZ 3.28Å; F275-F378 WeakPolarHBondContact O-CZ 3.21Å; F275-H381 AromaticContact CE2-CE1 3.86Å; F275-H381 AromaticContact CE2-ND1 3.81Å; F275-I383 HydrophobicContact CD2-CG2 4.49Å; F275-I383 HydrophobicContact CE2-CB 4.21Å; F275-I383 HydrophobicContact CE2-CG2 4.3Å; F275-V384 HydrophobicContact CD2-CG2 3.62Å; F275-V384 HydrophobicContact CE2-CG2 4.04Å; F275-L389 HydrophobicContact CB-CD1 3.6Å
276K97.6Very high97.3Very high60 Ų6026.2 Ų26.226%0.26114%0.143SC..Hα-helixtrans-64.3-47.7177.9178.3175.4178.4175.10111.7N274 F279 S280 D318 L389N274-K276 VanDerWaalsContact C-N 3.25Å; N274-K276 PolarHBondContact O-N 3.2Å; N274-K276 WeakPolarHBondContact OD1-CB 3.37Å; N274-K276 PolarHBondContact OD1-N 3.46Å; K276-F279 PolarHBondContact O-N 3.15Å; K276-S280 PolarHBondContact O-N 3.33Å; K276-S280 PolarHBondContact O-OG 3.02Å; K276-D318 WeakPolarHBondContact CE-OD1 3.33Å; K276-D318 IonicContact NZ-OD1 2.87Å; K276-D318 PolarHBondContact NZ-OD1 3.02Å; K276-D318 IonicContact NZ-OD2 3.5Å; K276-D318 PolarHBondContact NZ-OD2 3.31Å; K276-L389 HydrophobicContact CB-CD2 4.12Å
277E97.4Very high97.2Very high6 Ų623.5 Ų23.53%0.02813%0.125CC..Hα-helixtrans-66-40.6176.5-74.2174.4135.700111.3R117 R268 I273 N274 F279 S280 I281 L317R117-E277 IonicContact CZ-OE1 2.82Å; R117-E277 IonicContact NH1-OE1 3.72Å; R117-E277 PolarHBondContact NH1-OE1 2.76Å; R117-E277 IonicContact NH2-OE1 3.74Å; R268-E277 WeakPolarHBondContact CD-OE2 3.31Å; R268-E277 WeakPolarHBondContact CG-OE2 3.38Å; R268-E277 IonicContact CZ-OE1 3.41Å; R268-E277 IonicContact CZ-OE2 2.84Å; R268-E277 VanDerWaalsContact NE-CD 3.32Å; R268-E277 IonicContact NE-OE1 2.67Å; R268-E277 PolarHBondContact NE-OE1 2.96Å; R268-E277 IonicContact NE-OE2 3.13Å; R268-E277 PolarHBondContact NE-OE2 2.86Å; R268-E277 IonicContact NH2-OE1 2.77Å; R268-E277 PolarHBondContact NH2-OE1 3.27Å; R268-E277 IonicContact NH2-OE2 2.67Å; I273-E277 HydrophobicContact CD1-CB 4.01Å; I273-E277 HydrophobicContact CG1-CB 3.44Å; I273-E277 VanDerWaalsContact CG1-CB 3.44Å; N274-E277 PolarHBondContact N-OE2 3.31Å; N274-E277 PolarHBondContact O-N 2.84Å; N274-E277 WeakPolarHBondContact OD1-CB 3.44Å; N274-E277 WeakPolarHBondContact OD1-CG 3.43Å; N274-E277 PolarHBondContact OD1-N 3.21Å; E277-F279 PolarHBondContact O-N 3.16Å; E277-S280 VanDerWaalsContact O-CB 3.31Å; E277-S280 WeakPolarHBondContact O-CB 3.43Å; E277-S280 PolarHBondContact O-N 2.92Å; E277-I281 PolarHBondContact O-N 3.4Å; E277-I281 VanDerWaalsContact O-N 3.08Å; E277-L317 HydrophobicContact CG-CD2 3.71Å
278F98.4Very high97.1Very high0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-61.2-45174.4-176.2-113.4000111.7V232 V235 W236 L239 I273 N274 F275 S280 I281 L282 F378V232-F278 HydrophobicContact CG2-CE2 4.09Å; V232-F278 HydrophobicContact CG2-CZ 3.92Å; V235-F278 HydrophobicContact CB-CE2 4.44Å; V235-F278 HydrophobicContact CG1-CD2 4.28Å; V235-F278 HydrophobicContact CG1-CE2 3.76Å; W236-F278 HydrophobicContact CB-CE1 4.1Å; W236-F278 HydrophobicContact CB-CZ 3.98Å; W236-F278 AromaticContact CD2-CE1 3.98Å; W236-F278 HydrophobicContact CD2-CE1 3.98Å; W236-F278 AromaticContact CE3-CD1 3.75Å; W236-F278 HydrophobicContact CE3-CD1 3.75Å; W236-F278 AromaticContact CE3-CE1 3.53Å; W236-F278 HydrophobicContact CE3-CE1 3.53Å; W236-F278 HydrophobicContact CE3-CZ 4.41Å; W236-F278 HydrophobicContact CG-CE1 4.24Å; W236-F278 HydrophobicContact CZ3-CD1 4.14Å; W236-F278 HydrophobicContact CZ3-CE1 4.32Å; L239-F278 HydrophobicContact CD2-CB 3.72Å; L239-F278 HydrophobicContact CD2-CD1 4.24Å; L239-F278 HydrophobicContact CD2-CD2 4.45Å; L239-F278 HydrophobicContact CD2-CG 3.9Å; I273-F278 HydrophobicContact CD1-CB 4.19Å; N274-F278 WeakPolarHBondContact O-CB 3.39Å; N274-F278 PolarHBondContact O-N 3.24Å; F275-F278 PolarHBondContact O-N 3.29Å; F278-S280 VanDerWaalsContact C-N 3.26Å; F278-S280 PolarHBondContact O-N 2.83Å; F278-I281 WeakPolarHBondContact O-CB 3.32Å; F278-I281 PolarHBondContact O-N 3.24Å; F278-I281 VanDerWaalsContact O-N 3.13Å; F278-L282 HydrophobicContact CD1-CD1 4.2Å; F278-L282 HydrophobicContact CD1-CG 4.45Å; F278-L282 HydrophobicContact CE1-CD1 3.81Å; F278-L282 HydrophobicContact CE1-CD2 4.33Å; F278-L282 HydrophobicContact CE1-CG 4.2Å; F278-L282 HydrophobicContact CE2-CD2 4.4Å; F278-L282 HydrophobicContact CZ-CD1 4.35Å; F278-L282 HydrophobicContact CZ-CD2 4.04Å; F278-L282 HydrophobicContact CZ-CG 4.38Å; F278-L282 WeakPolarHBondContact O-CG 3.26Å; F278-L282 PolarHBondContact O-N 2.89Å; F278-F378 AromaticContact CD1-CD2 3.75Å; F278-F378 HydrophobicContact CD1-CD2 3.75Å; F278-F378 AromaticContact CD1-CE2 3.8Å; F278-F378 HydrophobicContact CD1-CE2 3.8Å; F278-F378 HydrophobicContact CE1-CD2 4.03Å
279F98.3Very high97Very high6 Ų620.9 Ų20.93%0.02612%0.116CC..Hα-helixtrans-62.4-36.3175.8-168.1-157.3000112.1F275 K276 E277 I281 L282 K283 T375 F378 V379 L389 C390F275-F279 WeakPolarHBondContact O-CB 3.36Å; F275-F279 PolarHBondContact O-N 3.01Å; K276-F279 PolarHBondContact O-N 3.15Å; E277-F279 PolarHBondContact O-N 3.16Å; F279-I281 VanDerWaalsContact C-N 3.29Å; F279-I281 PolarHBondContact O-N 2.96Å; F279-L282 HydrophobicContact CD2-CB 4.31Å; F279-L282 PolarHBondContact O-N 3.45Å; F279-L282 VanDerWaalsContact O-N 3.13Å; F279-K283 VanDerWaalsContact CD1-CE 3.43Å; F279-K283 HydrophobicContact CD2-CG 4.08Å; F279-K283 HydrophobicContact CE1-CD 4.45Å; F279-K283 HydrophobicContact CE2-CD 4.47Å; F279-K283 HydrophobicContact CE2-CG 3.9Å; F279-K283 HydrophobicContact CZ-CD 4.4Å; F279-K283 HydrophobicContact CZ-CG 4.25Å; F279-K283 WeakPolarHBondContact O-CG 3.05Å; F279-K283 PolarHBondContact O-N 3.26Å; F279-T375 HydrophobicContact CE2-CG2 3.91Å; F279-F378 HydrophobicContact CB-CD1 4.23Å; F279-F378 HydrophobicContact CB-CE1 3.47Å; F279-F378 VanDerWaalsContact CB-CE1 3.47Å; F279-F378 HydrophobicContact CB-CZ 3.63Å; F279-F378 AromaticContact CD1-CE1 3.83Å; F279-F378 HydrophobicContact CD1-CE1 3.83Å; F279-F378 AromaticContact CD2-CD1 3.83Å; F279-F378 HydrophobicContact CD2-CD1 3.83Å; F279-F378 AromaticContact CD2-CE1 3.84Å; F279-F378 HydrophobicContact CD2-CE1 3.84Å; F279-F378 HydrophobicContact CE2-CD1 4.34Å; F279-F378 AromaticContact CG-CD1 3.95Å; F279-F378 HydrophobicContact CG-CD1 3.95Å; F279-F378 AromaticContact CG-CE1 3.44Å; F279-F378 HydrophobicContact CG-CE1 3.44Å; F279-F378 VanDerWaalsContact CG-CE1 3.44Å; F279-F378 HydrophobicContact CG-CZ 4.15Å; F279-V379 HydrophobicContact CE2-CG1 4.13Å; F279-V379 HydrophobicContact CZ-CG1 3.96Å; F279-L389 HydrophobicContact CD1-CB 4.3Å; F279-L389 VanDerWaalsContact CE1-O 3.31Å; F279-L389 WeakPolarHBondContact CE1-O 3.31Å; F279-C390 HydrophobicContact CE1-CB 3.74Å; F279-C390 HydrophobicContact CZ-CB 4Å
280S97.8Very high96.9Very high0 Ų016.6 Ų16.60%08%0.08CC..Hα-helixtrans-60.4-40.3175.9-51.30000111.2K276 E277 F278 K283 Y284 N321K276-S280 PolarHBondContact O-N 3.33Å; K276-S280 PolarHBondContact O-OG 3.02Å; E277-S280 VanDerWaalsContact O-CB 3.31Å; E277-S280 WeakPolarHBondContact O-CB 3.43Å; E277-S280 PolarHBondContact O-N 2.92Å; F278-S280 VanDerWaalsContact C-N 3.26Å; F278-S280 PolarHBondContact O-N 2.83Å; S280-K283 PolarHBondContact O-N 3.46Å; S280-Y284 WeakPolarHBondContact O-CB 3.45Å; S280-Y284 PolarHBondContact O-N 3.07Å; S280-N321 WeakPolarHBondContact CB-OD1 3.43Å; S280-N321 PolarHBondContact OG-ND2 3.05Å; S280-N321 VanDerWaalsContact OG-ND2 3.17Å; S280-N321 PolarHBondContact OG-OD1 2.92Å
281I98.4Very high96.7Very high0 Ų010.2 Ų10.20%06%0.058CC..Hα-helixtrans-62.2-47.3172.2-64.1169.3000110.4W109 L110 F113 F227 I273 E277 F278 F279 K283 Y284 I285W109-I281 HydrophobicContact CB-CG2 4.32Å; L110-I281 HydrophobicContact CD1-CD1 4.25Å; F113-I281 HydrophobicContact CB-CG1 3.93Å; F113-I281 HydrophobicContact CD1-CB 4.43Å; F113-I281 HydrophobicContact CD1-CD1 4.07Å; F113-I281 HydrophobicContact CD1-CG1 3.25Å; F113-I281 HydrophobicContact CD2-CG1 4.38Å; F113-I281 HydrophobicContact CE1-CG1 3.77Å; F113-I281 HydrophobicContact CG-CB 4.38Å; F113-I281 HydrophobicContact CG-CG1 3.59Å; F227-I281 HydrophobicContact CE2-CG2 4.01Å; F227-I281 HydrophobicContact CZ-CD1 3.89Å; F227-I281 HydrophobicContact CZ-CG2 4.12Å; I273-I281 HydrophobicContact CD1-CD1 3.62Å; E277-I281 PolarHBondContact O-N 3.4Å; E277-I281 VanDerWaalsContact O-N 3.08Å; F278-I281 WeakPolarHBondContact O-CB 3.32Å; F278-I281 PolarHBondContact O-N 3.24Å; F278-I281 VanDerWaalsContact O-N 3.13Å; F279-I281 VanDerWaalsContact C-N 3.29Å; F279-I281 PolarHBondContact O-N 2.96Å; I281-K283 PolarHBondContact O-N 2.77Å; I281-Y284 WeakPolarHBondContact O-CB 3.46Å; I281-Y284 PolarHBondContact O-N 2.62Å; I281-I285 HydrophobicContact CG2-CG1 4.25Å; I281-I285 VanDerWaalsContact O-CG1 3.32Å; I281-I285 WeakPolarHBondContact O-CG1 3.48Å; I281-I285 PolarHBondContact O-N 3.33Å
282L98.6Very high96Very high0 Ų011.1 Ų11.10%06%0.058CC..Hα-helixtrans-60.2-44.2179.4-59.9-173.8000112.1W109 V232 F278 F279 I285 L286 V371 I374 F378W109-L282 HydrophobicContact CZ3-CD2 4.46Å; V232-L282 HydrophobicContact CG2-CD2 4.25Å; F278-L282 HydrophobicContact CD1-CD1 4.2Å; F278-L282 HydrophobicContact CD1-CG 4.45Å; F278-L282 HydrophobicContact CE1-CD1 3.81Å; F278-L282 HydrophobicContact CE1-CD2 4.33Å; F278-L282 HydrophobicContact CE1-CG 4.2Å; F278-L282 HydrophobicContact CE2-CD2 4.4Å; F278-L282 HydrophobicContact CZ-CD1 4.35Å; F278-L282 HydrophobicContact CZ-CD2 4.04Å; F278-L282 HydrophobicContact CZ-CG 4.38Å; F278-L282 WeakPolarHBondContact O-CG 3.26Å; F278-L282 PolarHBondContact O-N 2.89Å; F279-L282 HydrophobicContact CD2-CB 4.31Å; F279-L282 PolarHBondContact O-N 3.45Å; F279-L282 VanDerWaalsContact O-N 3.13Å; L282-I285 PolarHBondContact O-N 2.83Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 PolarHBondContact O-N 3.37Å; L282-V371 HydrophobicContact CB-CG2 4.25Å; L282-V371 HydrophobicContact CD2-CG2 4.19Å; L282-V371 VanDerWaalsContact O-CG2 3.32Å; L282-V371 WeakPolarHBondContact O-CG2 3.38Å; L282-I374 HydrophobicContact CD1-CG2 4.17Å; L282-I374 HydrophobicContact CD2-CG2 3.64Å; L282-F378 HydrophobicContact CD1-CB 4.06Å; L282-F378 HydrophobicContact CD1-CG 4.18Å
283K97.9Very high94.7Very high5 Ų514.5 Ų14.52%0.0228%0.078CC..Hα-helixtrans-59-49.2174.8-69.7178.7-174.4-174.30111.1F279 S280 I281 I285 L286 I287 M324 D325 L328F279-K283 VanDerWaalsContact CD1-CE 3.43Å; F279-K283 HydrophobicContact CD2-CG 4.08Å; F279-K283 HydrophobicContact CE1-CD 4.45Å; F279-K283 HydrophobicContact CE2-CD 4.47Å; F279-K283 HydrophobicContact CE2-CG 3.9Å; F279-K283 HydrophobicContact CZ-CD 4.4Å; F279-K283 HydrophobicContact CZ-CG 4.25Å; F279-K283 WeakPolarHBondContact O-CG 3.05Å; F279-K283 PolarHBondContact O-N 3.26Å; S280-K283 PolarHBondContact O-N 3.46Å; I281-K283 PolarHBondContact O-N 2.77Å; K283-I285 PolarHBondContact O-N 3.46Å; K283-L286 PolarHBondContact O-N 3.33Å; K283-I287 VanDerWaalsContact O-CG1 3.28Å; K283-I287 WeakPolarHBondContact O-CG1 3.08Å; K283-I287 PolarHBondContact O-N 2.88Å; K283-M324 HydrophobicContact CB-CB 4.26Å; K283-M324 HydrophobicContact CB-CE 4.17Å; K283-M324 HydrophobicContact CB-SD 4.07Å; K283-M324 HydrophobicContact CD-CB 4.36Å; K283-M324 HydrophobicContact CD-CE 4.35Å; K283-D325 VanDerWaalsContact CD-OD1 3.26Å; K283-D325 WeakPolarHBondContact CD-OD1 3.46Å; K283-D325 WeakPolarHBondContact CE-OD1 3.48Å; K283-D325 IonicContact NZ-OD1 3.78Å; K283-D325 PolarHBondContact NZ-OD1 3.5Å; K283-D325 IonicContact NZ-OD2 3.06Å; K283-D325 PolarHBondContact NZ-OD2 3.12Å; K283-L328 HydrophobicContact CB-CD1 3.88Å; K283-L328 HydrophobicContact CD-CD1 4.4Å; K283-L328 HydrophobicContact CG-CD1 3.77Å
284Y98Very high92.5Very high14 Ų1419.3 Ų19.36%0.05511%0.111CC..Hα-helixtrans-56.9-47.3178.2169.1-99.3000112.2E112 F113 L116 S280 I281 I287 T288 F305 L306E112-Y284 HydrophobicContact CB-CE1 3.65Å; F113-Y284 HydrophobicContact CB-CD1 3.94Å; F113-Y284 HydrophobicContact CB-CE1 4.4Å; F113-Y284 HydrophobicContact CB-CG 4.35Å; F113-Y284 HydrophobicContact CD2-CD1 4.29Å; F113-Y284 HydrophobicContact CD2-CD2 4.39Å; F113-Y284 AromaticContact CD2-CG 3.85Å; F113-Y284 HydrophobicContact CD2-CG 3.85Å; L116-Y284 HydrophobicContact CB-CE2 4.42Å; L116-Y284 HydrophobicContact CD2-CD2 3.47Å; L116-Y284 VanDerWaalsContact CD2-CD2 3.47Å; L116-Y284 HydrophobicContact CD2-CE2 3.68Å; L116-Y284 HydrophobicContact CG-CE2 4.47Å; S280-Y284 WeakPolarHBondContact O-CB 3.45Å; S280-Y284 PolarHBondContact O-N 3.07Å; I281-Y284 WeakPolarHBondContact O-CB 3.46Å; I281-Y284 PolarHBondContact O-N 2.62Å; Y284-I287 PolarHBondContact O-N 2.82Å; Y284-T288 HydrophobicContact CD2-CG2 3.9Å; Y284-T288 HydrophobicContact CE1-CG2 4.32Å; Y284-T288 HydrophobicContact CE2-CG2 3.49Å; Y284-T288 VanDerWaalsContact CE2-CG2 3.49Å; Y284-T288 HydrophobicContact CG-CG2 4.5Å; Y284-T288 WeakPolarHBondContact O-CB 3.42Å; Y284-T288 VanDerWaalsContact O-CG2 3.31Å; Y284-T288 WeakPolarHBondContact O-CG2 3.28Å; Y284-T288 PolarHBondContact O-N 3.17Å; Y284-T288 PolarHBondContact O-OG1 3Å; Y284-F305 HydrophobicContact CD2-CE1 4.44Å; Y284-L306 HydrophobicContact CE2-CD2 3.72Å
285I98.2Very high90.1Very high0 Ų022.5 Ų22.50%014%0.136CC..Hα-helixtrans-67.1-41.6178.9-63-60.7000110.8W109 I281 L282 K283 I287 T288 R289 V371W109-I285 HydrophobicContact CB-CD1 3.65Å; W109-I285 HydrophobicContact CB-CG1 3.86Å; W109-I285 HydrophobicContact CD2-CB 4.31Å; W109-I285 HydrophobicContact CD2-CD1 3.97Å; W109-I285 HydrophobicContact CD2-CG1 3.67Å; W109-I285 HydrophobicContact CD2-CG2 3.85Å; W109-I285 HydrophobicContact CE3-CB 4.35Å; W109-I285 HydrophobicContact CE3-CG1 3.88Å; W109-I285 HydrophobicContact CE3-CG2 4.1Å; W109-I285 HydrophobicContact CG-CD1 3.48Å; W109-I285 VanDerWaalsContact CG-CD1 3.48Å; W109-I285 HydrophobicContact CG-CG1 3.67Å; W109-I285 HydrophobicContact CG-CG2 4.45Å; W109-I285 HydrophobicContact CH2-CG2 3.96Å; W109-I285 HydrophobicContact CZ2-CG2 3.68Å; W109-I285 HydrophobicContact CZ3-CG2 4.15Å; I281-I285 HydrophobicContact CG2-CG1 4.25Å; I281-I285 VanDerWaalsContact O-CG1 3.32Å; I281-I285 WeakPolarHBondContact O-CG1 3.48Å; I281-I285 PolarHBondContact O-N 3.33Å; L282-I285 PolarHBondContact O-N 2.83Å; K283-I285 PolarHBondContact O-N 3.46Å; I285-I287 PolarHBondContact O-N 3.13Å; I285-T288 PolarHBondContact O-N 2.69Å; I285-T288 PolarHBondContact O-OG1 3.34Å; I285-R289 HydrophobicContact CG2-CG 3.79Å; I285-R289 WeakPolarHBondContact O-CB 3.16Å; I285-R289 WeakPolarHBondContact O-CG 3.47Å; I285-R289 PolarHBondContact O-N 3.19Å; I285-V371 HydrophobicContact CB-CG2 3.92Å; I285-V371 HydrophobicContact CG2-CB 3.87Å; I285-V371 HydrophobicContact CG2-CG1 4.13Å; I285-V371 HydrophobicContact CG2-CG2 3.84Å
286L97Very high87.7Confident2 Ų230 Ų301%0.0118%0.176CC..Hα-helixtrans-59.2-45.6176.6-177.858.2000111.8L282 K283 W290 L328 F339 F368 V371 I372 W398L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 PolarHBondContact O-N 3.37Å; K283-L286 PolarHBondContact O-N 3.33Å; L286-W290 HydrophobicContact CD1-CE3 3.87Å; L286-W290 HydrophobicContact CD1-CZ3 4Å; L286-W290 HydrophobicContact CD2-CZ3 4.42Å; L286-W290 HydrophobicContact CG-CE3 4.03Å; L286-W290 HydrophobicContact CG-CZ3 4.13Å; L286-W290 WeakPolarHBondContact O-CB 3.48Å; L286-W290 PolarHBondContact O-N 3.42Å; L286-L328 HydrophobicContact CB-CD2 4.14Å; L286-L328 HydrophobicContact CD2-CD2 3.62Å; L286-L328 HydrophobicContact CG-CD2 3.66Å; L286-F339 HydrophobicContact CD1-CD2 4.5Å; L286-F339 HydrophobicContact CD1-CE2 4.47Å; L286-F339 HydrophobicContact CD2-CE2 4.5Å; L286-F368 HydrophobicContact CD1-CD2 3.99Å; L286-F368 HydrophobicContact CD1-CE2 3.74Å; L286-V371 HydrophobicContact CB-CG1 3.99Å; L286-V371 HydrophobicContact CB-CG2 4.36Å; L286-V371 HydrophobicContact CD1-CG1 3.9Å; L286-I372 HydrophobicContact CD1-CD1 4.37Å; L286-I372 HydrophobicContact CD1-CG1 3.67Å; L286-W398 HydrophobicContact CD2-CH2 4.49Å; L286-W398 HydrophobicContact CD2-CZ2 4.04Å
287I96.1Very high85.4Confident0 Ų032.4 Ų32.40%019%0.191CC..Hα-helixtrans-63.9-50.8177.1-66.5163.9000111.5K283 Y284 I285 R289 W290 R292 F305 M324 E327 L328 L331K283-I287 VanDerWaalsContact O-CG1 3.28Å; K283-I287 WeakPolarHBondContact O-CG1 3.08Å; K283-I287 PolarHBondContact O-N 2.88Å; Y284-I287 PolarHBondContact O-N 2.82Å; I285-I287 PolarHBondContact O-N 3.13Å; I287-R289 VanDerWaalsContact C-N 3.28Å; I287-R289 PolarHBondContact O-N 2.92Å; I287-W290 WeakPolarHBondContact O-CB 3.2Å; I287-W290 PolarHBondContact O-N 2.88Å; I287-R292 PolarHBondContact O-NH1 3.3Å; I287-R292 VanDerWaalsContact O-NH1 3.15Å; I287-F305 HydrophobicContact CD1-CE1 4.48Å; I287-F305 HydrophobicContact CD1-CE2 4Å; I287-F305 HydrophobicContact CD1-CZ 3.78Å; I287-F305 HydrophobicContact CG2-CD1 3.8Å; I287-F305 HydrophobicContact CG2-CD2 4.28Å; I287-F305 HydrophobicContact CG2-CE1 3.79Å; I287-F305 HydrophobicContact CG2-CE2 4.26Å; I287-F305 HydrophobicContact CG2-CG 4.06Å; I287-F305 HydrophobicContact CG2-CZ 4.04Å; I287-M324 HydrophobicContact CD1-CB 3.66Å; I287-M324 HydrophobicContact CD1-CG 3.74Å; I287-M324 HydrophobicContact CD1-SD 4.43Å; I287-E327 HydrophobicContact CD1-CB 4.15Å; I287-E327 HydrophobicContact CD1-CG 4.17Å; I287-E327 HydrophobicContact CG1-CG 4.14Å; I287-E327 HydrophobicContact CG2-CG 3.65Å; I287-L328 HydrophobicContact CD1-CD1 4.47Å; I287-L328 HydrophobicContact CD1-CD2 4.41Å; I287-L328 HydrophobicContact CD1-CG 3.94Å; I287-L328 HydrophobicContact CG1-CD1 4.39Å; I287-L328 HydrophobicContact CG1-CD2 3.52Å; I287-L328 HydrophobicContact CG1-CG 3.58Å; I287-L331 HydrophobicContact CB-CD1 4.44Å; I287-L331 HydrophobicContact CG1-CD1 4.35Å; I287-L331 HydrophobicContact CG2-CD1 4.26Å
288T95.7Very high83.3Confident3 Ų334.3 Ų34.32%0.01820%0.202CC..Hα-helixtrans-76.7-15.7-172.659.10000112.9Y284 I285 V302 F305 L306 R364Y284-T288 HydrophobicContact CD2-CG2 3.9Å; Y284-T288 HydrophobicContact CE1-CG2 4.32Å; Y284-T288 HydrophobicContact CE2-CG2 3.49Å; Y284-T288 VanDerWaalsContact CE2-CG2 3.49Å; Y284-T288 HydrophobicContact CG-CG2 4.5Å; Y284-T288 WeakPolarHBondContact O-CB 3.42Å; Y284-T288 VanDerWaalsContact O-CG2 3.31Å; Y284-T288 WeakPolarHBondContact O-CG2 3.28Å; Y284-T288 PolarHBondContact O-N 3.17Å; Y284-T288 PolarHBondContact O-OG1 3Å; I285-T288 PolarHBondContact O-N 2.69Å; I285-T288 PolarHBondContact O-OG1 3.34Å; T288-V302 HydrophobicContact CG2-CG1 4.23Å; T288-F305 HydrophobicContact CG2-CE1 4.4Å; T288-L306 HydrophobicContact CG2-CD2 4.2Å; T288-R364 PolarHBondContact O-NH1 2.87Å; T288-R364 PolarHBondContact O-NH2 3.15Å
289R95.1Very high81.4Confident25 Ų2540 Ų409%0.09423%0.232CC..Hα-helixtrans-103.9-9.8175.3-56.3-63-170.9-94.710.8113E112 I285 I287 P291 R364 D367 F368E112-R289 IonicContact OE1-CZ 3.5Å; E112-R289 IonicContact OE1-NH2 2.88Å; E112-R289 PolarHBondContact OE1-NH2 2.65Å; E112-R289 IonicContact OE2-CZ 3.27Å; E112-R289 IonicContact OE2-NH1 3.07Å; E112-R289 PolarHBondContact OE2-NH1 3.3Å; E112-R289 IonicContact OE2-NH2 2.62Å; E112-R289 PolarHBondContact OE2-NH2 2.77Å; I285-R289 HydrophobicContact CG2-CG 3.79Å; I285-R289 WeakPolarHBondContact O-CB 3.16Å; I285-R289 WeakPolarHBondContact O-CG 3.47Å; I285-R289 PolarHBondContact O-N 3.19Å; I287-R289 VanDerWaalsContact C-N 3.28Å; I287-R289 PolarHBondContact O-N 2.92Å; R289-P291 WeakPolarHBondContact O-CD 3.49Å; R289-R364 HydrophobicContact CB-CG 4.28Å; R289-D367 HydrophobicContact CB-CB 4.41Å; R289-D367 HydrophobicContact CG-CB 3.77Å; R289-D367 IonicContact CZ-OD2 3.87Å; R289-D367 IonicContact NE-OD2 2.76Å; R289-D367 PolarHBondContact NE-OD2 2.72Å; R289-D367 VanDerWaalsContact NE-OD2 3.07Å; R289-D367 IonicContact NH2-OD2 3.52Å; R289-F368 HydrophobicContact CB-CB 4.03Å
290W93.7Very high80.1Confident1 Ų144.2 Ų44.20%0.00426%0.255CS..PPolyproline II helixtrans-51.9122177.2-158.5-74.8000111.6L286 I287 R292 L331 I332 N335 F339 F368L286-W290 HydrophobicContact CD1-CE3 3.87Å; L286-W290 HydrophobicContact CD1-CZ3 4Å; L286-W290 HydrophobicContact CD2-CZ3 4.42Å; L286-W290 HydrophobicContact CG-CE3 4.03Å; L286-W290 HydrophobicContact CG-CZ3 4.13Å; L286-W290 WeakPolarHBondContact O-CB 3.48Å; L286-W290 PolarHBondContact O-N 3.42Å; I287-W290 WeakPolarHBondContact O-CB 3.2Å; I287-W290 PolarHBondContact O-N 2.88Å; W290-R292 PolarHBondContact O-N 3.32Å; W290-R292 PolarHBondContact O-NH1 3.46Å; W290-L331 HydrophobicContact CB-CD1 4.13Å; W290-L331 HydrophobicContact CD2-CB 3.97Å; W290-L331 HydrophobicContact CD2-CD1 4.17Å; W290-L331 HydrophobicContact CD2-CD2 4.48Å; W290-L331 HydrophobicContact CD2-CG 4.45Å; W290-L331 HydrophobicContact CE3-CB 4.18Å; W290-L331 HydrophobicContact CE3-CD1 4.26Å; W290-L331 HydrophobicContact CG-CB 4.45Å; W290-L331 HydrophobicContact CG-CD1 4.11Å; W290-L331 HydrophobicContact CG-CD2 4.09Å; W290-L331 HydrophobicContact CG-CG 4.47Å; W290-L331 HydrophobicContact CH2-CB 4.36Å; W290-L331 HydrophobicContact CZ2-CB 4.15Å; W290-L331 HydrophobicContact CZ3-CB 4.37Å; W290-I332 HydrophobicContact CH2-CG1 3.68Å; W290-I332 HydrophobicContact CZ3-CG1 4.2Å; W290-N335 WeakPolarHBondContact CZ2-O 3.4Å; W290-F339 HydrophobicContact CH2-CB 3.63Å; W290-F339 AromaticContact CH2-CD2 3.56Å; W290-F339 HydrophobicContact CH2-CD2 3.56Å; W290-F339 AromaticContact CH2-CG 3.84Å; W290-F339 HydrophobicContact CH2-CG 3.84Å; W290-F339 HydrophobicContact CZ2-CB 3.8Å; W290-F339 HydrophobicContact CZ2-CD2 4.5Å; W290-F339 HydrophobicContact CZ2-CG 4.5Å; W290-F339 HydrophobicContact CZ3-CB 4.44Å; W290-F339 AromaticContact CZ3-CD2 3.65Å; W290-F339 HydrophobicContact CZ3-CD2 3.65Å; W290-F339 HydrophobicContact CZ3-CE2 4.38Å; W290-F339 HydrophobicContact CZ3-CG 4.39Å; W290-F368 HydrophobicContact CB-CE2 4.28Å; W290-F368 AromaticContact CD2-CE2 3.84Å; W290-F368 HydrophobicContact CD2-CE2 3.84Å; W290-F368 HydrophobicContact CD2-CZ 4.3Å; W290-F368 AromaticContact CE3-CE2 3.78Å; W290-F368 HydrophobicContact CE3-CE2 3.78Å; W290-F368 HydrophobicContact CE3-CZ 4.43Å; W290-F368 HydrophobicContact CG-CE2 4.09Å; W290-F368 HydrophobicContact CZ3-CE2 4.42Å
291P89.3Confident79.2Confident25 Ų2548.5 Ų48.516%0.16228%0.278CS..PPolyproline II helixtrans-67.2118.4175.8-21.834.6000110.9R289 N335 I338 M365 F368R289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-N335 PolarHBondContact O-ND2 3.49Å; P291-I338 HydrophobicContact CB-CG1 4.2Å; P291-I338 HydrophobicContact CG-CG1 3.94Å; P291-M365 HydrophobicContact CB-CE 4.11Å; P291-M365 HydrophobicContact CG-CE 3.49Å; P291-M365 VanDerWaalsContact CG-CE 3.49Å; P291-M365 HydrophobicContact CG-SD 3.93Å; P291-F368 HydrophobicContact CG-CD1 4Å; P291-F368 HydrophobicContact CG-CE1 4.08Å; P291-F368 HydrophobicContact CG-CG 4.32Å; P291-F368 HydrophobicContact CG-CZ 4.46Å
292R81.4Confident78.7Confident33 Ų3349.1 Ų49.113%0.12528%0.282CS..PPolyproline II helixtrans-98.8151.6173.4-66.7175.3175.475.2-7.2108.7I287 W290 S294 D298 D301 E327I287-R292 PolarHBondContact O-NH1 3.3Å; I287-R292 VanDerWaalsContact O-NH1 3.15Å; W290-R292 PolarHBondContact O-N 3.32Å; W290-R292 PolarHBondContact O-NH1 3.46Å; R292-S294 PolarHBondContact O-N 2.94Å; R292-D298 HydrophobicContact CB-CB 4.32Å; R292-D298 WeakPolarHBondContact CB-OD1 3.48Å; R292-D301 IonicContact NE-OD2 3.55Å; R292-E327 IonicContact NH2-OE1 2.68Å; R292-E327 PolarHBondContact NH2-OE1 2.84Å
293S67.5Low78.2Confident100 Ų10051.1 Ų51.170%0.69930%0.296SS*.  trans-73.2115.2-171-58.50000110.6S295 D298S293-S295 PolarHBondContact O-N 3.37Å; S293-D298 PolarHBondContact N-OD1 3.22Å
294S49.6Very low77.9Confident102 Ų10254.3 Ų54.371%0.71332%0.319SS*.SBendtrans-26.7115.2178.158.90000117.4R292 D298R292-S294 PolarHBondContact O-N 2.94Å; S294-D298 VanDerWaalsContact CA-OD2 3.32Å; S294-D298 WeakPolarHBondContact CA-OD2 3.22Å
295S48.2Very low77.7Confident90 Ų9054 Ų5463%0.62932%0.318SS*.SBend164.9102.6121.953.90000110.8S293 D297 D298S293-S295 PolarHBondContact O-N 3.37Å; S295-D297 PolarHBondContact O-N 3.28Å; S295-D298 PolarHBondContact N-OD2 2.97Å
296N48.5Very low77.5Confident157 Ų15755.9 Ų55.984%0.8433%0.328SS*.SBendtrans59.1-27.9177-68.1-14.5000118.6D298N296-D298 VanDerWaalsContact C-N 3.35Å
297D49.2Very low77.3Confident111 Ų11162.8 Ų62.859%0.59436%0.357SS*.SBendtrans-80.8-11.6179.3-64.2-24.6000113.2S295 D299 D300 D301S295-D297 PolarHBondContact O-N 3.28Å; D297-D299 PolarHBondContact O-N 3.15Å; D297-D300 WeakPolarHBondContact O-CB 3.04Å; D297-D300 PolarHBondContact O-N 2.76Å; D297-D301 PolarHBondContact O-N 3.4Å
298D51.9Low77.2Confident46 Ų4667.6 Ų67.625%0.24638%0.379CS..Hα-helixtrans-66-39.3-172.1-66.9-47.7000113.7R292 S293 S294 S295 N296 D300R292-D298 HydrophobicContact CB-CB 4.32Å; R292-D298 WeakPolarHBondContact CB-OD1 3.48Å; S293-D298 PolarHBondContact N-OD1 3.22Å; S294-D298 VanDerWaalsContact CA-OD2 3.32Å; S294-D298 WeakPolarHBondContact CA-OD2 3.22Å; S295-D298 PolarHBondContact N-OD2 2.97Å; N296-D298 VanDerWaalsContact C-N 3.35Å; D298-D300 VanDerWaalsContact C-N 3.26Å
299D58.8Low77.1Confident119 Ų11967.5 Ų67.564%0.63638%0.378SS*.Hα-helixtrans-71.9-24.9174.3-81.9-23.7000110.8D297 S303D297-D299 PolarHBondContact O-N 3.15Å; D299-S303 WeakPolarHBondContact O-CB 3.4Å; D299-S303 PolarHBondContact O-N 2.97Å; D299-S303 PolarHBondContact O-OG 3.22Å
300D70.2Confident76.9Confident96 Ų9672.2 Ų72.251%0.51340%0.399SS..Hα-helixtrans-72.3-40-178.6-76.5-26.6000112.1D297 D298 S303 S304D297-D300 WeakPolarHBondContact O-CB 3.04Å; D297-D300 PolarHBondContact O-N 2.76Å; D298-D300 VanDerWaalsContact C-N 3.26Å; D300-S303 PolarHBondContact O-N 2.67Å; D300-S304 WeakPolarHBondContact O-CB 3.35Å; D300-S304 PolarHBondContact O-N 2.83Å
301D80.5Confident76.8Confident90 Ų9076.7 Ų76.748%0.48143%0.43SS..Hα-helixtrans-65.8-48.8177.7-85.9-8.1000112.2R292 D297 S303 S304 F305R292-D301 IonicContact NE-OD2 3.55Å; D297-D301 PolarHBondContact O-N 3.4Å; D301-S303 VanDerWaalsContact C-N 3.31Å; D301-S303 PolarHBondContact O-N 2.94Å; D301-S304 WeakPolarHBondContact O-CB 3.36Å; D301-S304 PolarHBondContact O-N 3.2Å; D301-F305 PolarHBondContact O-N 3.38Å
302V87.1Confident76.9Confident12 Ų1276.9 Ų76.97%0.07343%0.43CS..Hα-helixtrans-62.7-43.8175.9178.10000109.6T288 S304 F305 L306T288-V302 HydrophobicContact CG2-CG1 4.23Å; V302-S304 VanDerWaalsContact C-N 3.28Å; V302-S304 PolarHBondContact O-N 2.87Å; V302-F305 PolarHBondContact O-N 2.86Å; V302-L306 HydrophobicContact CG1-CD1 3.93Å; V302-L306 HydrophobicContact CG1-CG 4.18Å; V302-L306 WeakPolarHBondContact O-CB 3.26Å; V302-L306 VanDerWaalsContact O-CG 3.24Å; V302-L306 WeakPolarHBondContact O-CG 3.33Å; V302-L306 PolarHBondContact O-N 3.13Å
303S88.2Confident77.2Confident42 Ų4284.5 Ų84.529%0.29447%0.467SS..Hα-helixtrans-60.9-38176.3-67.10000112.1D299 D300 D301 L306 K307D299-S303 WeakPolarHBondContact O-CB 3.4Å; D299-S303 PolarHBondContact O-N 2.97Å; D299-S303 PolarHBondContact O-OG 3.22Å; D300-S303 PolarHBondContact O-N 2.67Å; D301-S303 VanDerWaalsContact C-N 3.31Å; D301-S303 PolarHBondContact O-N 2.94Å; S303-L306 PolarHBondContact O-N 3.06Å; S303-K307 VanDerWaalsContact O-CB 3.27Å; S303-K307 WeakPolarHBondContact O-CB 3.4Å; S303-K307 WeakPolarHBondContact O-CD 3.43Å; S303-K307 WeakPolarHBondContact O-CG 3.39Å; S303-K307 PolarHBondContact O-N 3.17Å
304S91.5Very high78.3Confident73 Ų7380.7 Ų80.751%0.5144%0.437SS..Hα-helixtrans-64.6-48.1176.1-176.80000111D300 D301 V302 L306 K307 K308D300-S304 WeakPolarHBondContact O-CB 3.35Å; D300-S304 PolarHBondContact O-N 2.83Å; D301-S304 WeakPolarHBondContact O-CB 3.36Å; D301-S304 PolarHBondContact O-N 3.2Å; V302-S304 VanDerWaalsContact C-N 3.28Å; V302-S304 PolarHBondContact O-N 2.87Å; S304-L306 PolarHBondContact O-N 2.95Å; S304-K307 PolarHBondContact O-N 3.46Å; S304-K308 WeakPolarHBondContact O-CB 3.28Å; S304-K308 PolarHBondContact O-N 3.41Å
305F93.3Very high80Confident7 Ų782.9 Ų82.93%0.03145%0.446CS..Hα-helixtrans-57.2-49.5173.3166.6-99.5000111.7Y284 I287 T288 D301 V302 K307 K308 C309 T323 M324 E327Y284-F305 HydrophobicContact CD2-CE1 4.44Å; I287-F305 HydrophobicContact CD1-CE1 4.48Å; I287-F305 HydrophobicContact CD1-CE2 4Å; I287-F305 HydrophobicContact CD1-CZ 3.78Å; I287-F305 HydrophobicContact CG2-CD1 3.8Å; I287-F305 HydrophobicContact CG2-CD2 4.28Å; I287-F305 HydrophobicContact CG2-CE1 3.79Å; I287-F305 HydrophobicContact CG2-CE2 4.26Å; I287-F305 HydrophobicContact CG2-CG 4.06Å; I287-F305 HydrophobicContact CG2-CZ 4.04Å; T288-F305 HydrophobicContact CG2-CE1 4.4Å; D301-F305 PolarHBondContact O-N 3.38Å; V302-F305 PolarHBondContact O-N 2.86Å; F305-K307 PolarHBondContact O-N 3.25Å; F305-K308 WeakPolarHBondContact O-CB 3.44Å; F305-K308 PolarHBondContact O-N 3.22Å; F305-C309 WeakPolarHBondContact CE2-SG 3.39Å; F305-C309 VanDerWaalsContact CZ-SG 3.51Å; F305-C309 PolarHBondContact O-N 2.96Å; F305-C309 PolarHBondContact O-SG 2.73Å; F305-T323 HydrophobicContact CE2-CG2 4.46Å; F305-M324 HydrophobicContact CE2-CG 4.21Å; F305-M324 HydrophobicContact CZ-CG 3.85Å; F305-E327 HydrophobicContact CD2-CB 4.12Å; F305-E327 HydrophobicContact CD2-CG 3.81Å; F305-E327 HydrophobicContact CE2-CB 4.15Å; F305-E327 HydrophobicContact CE2-CG 4.16Å; F305-E327 HydrophobicContact CG-CG 4.44Å
306L93.9Very high82Confident40 Ų4080.7 Ų80.721%0.20943%0.431CS..Hα-helixtrans-62.9-41.5179.2-67.6176.2000112L116 Y284 T288 V302 S303 S304 C309 K310L116-L306 HydrophobicContact CD1-CD2 3.84Å; Y284-L306 HydrophobicContact CE2-CD2 3.72Å; T288-L306 HydrophobicContact CG2-CD2 4.2Å; V302-L306 HydrophobicContact CG1-CD1 3.93Å; V302-L306 HydrophobicContact CG1-CG 4.18Å; V302-L306 WeakPolarHBondContact O-CB 3.26Å; V302-L306 VanDerWaalsContact O-CG 3.24Å; V302-L306 WeakPolarHBondContact O-CG 3.33Å; V302-L306 PolarHBondContact O-N 3.13Å; S303-L306 PolarHBondContact O-N 3.06Å; S304-L306 PolarHBondContact O-N 2.95Å; L306-C309 PolarHBondContact O-N 3.17Å; L306-K310 WeakPolarHBondContact O-CB 3.47Å; L306-K310 VanDerWaalsContact O-CG 3.3Å; L306-K310 WeakPolarHBondContact O-CG 3.43Å; L306-K310 PolarHBondContact O-N 3.14Å
307K93.2Very high84.1Confident146 Ų14673.8 Ų73.864%0.63539%0.394SS*.Hα-helixtrans-62.4-45.8175.1-77168.8-173.5172.20111S303 S304 F305 K310 S311S303-K307 VanDerWaalsContact O-CB 3.27Å; S303-K307 WeakPolarHBondContact O-CB 3.4Å; S303-K307 WeakPolarHBondContact O-CD 3.43Å; S303-K307 WeakPolarHBondContact O-CG 3.39Å; S303-K307 PolarHBondContact O-N 3.17Å; S304-K307 PolarHBondContact O-N 3.46Å; F305-K307 PolarHBondContact O-N 3.25Å; K307-K310 PolarHBondContact O-N 3.4Å; K307-S311 WeakPolarHBondContact O-CB 3.34Å; K307-S311 PolarHBondContact O-N 2.77Å; K307-S311 PolarHBondContact O-OG 2.87Å
308K94.3Very high86.2Confident102 Ų10271.8 Ų71.844%0.44338%0.383SS..Hα-helixtrans-54.3-56.4174.5179.2-174.2176-173.70109.3S304 F305 K310 S311 M312 T323S304-K308 WeakPolarHBondContact O-CB 3.28Å; S304-K308 PolarHBondContact O-N 3.41Å; F305-K308 WeakPolarHBondContact O-CB 3.44Å; F305-K308 PolarHBondContact O-N 3.22Å; K308-K310 PolarHBondContact O-N 2.8Å; K308-S311 PolarHBondContact O-N 2.99Å; K308-S311 VanDerWaalsContact O-N 3.12Å; K308-S311 PolarHBondContact O-OG 3.24Å; K308-M312 VanDerWaalsContact O-CG 3.3Å; K308-M312 WeakPolarHBondContact O-CG 3.35Å; K308-M312 PolarHBondContact O-N 2.63Å; K308-T323 HydrophobicContact CD-CG2 4.1Å
309C94.3Very high88.2Confident0 Ų072.7 Ų72.70%039%0.39CS..Hα-helixtrans-57.4-47.6-178.8-72.80000113.1L116 F305 L306 S311 M312 L320L116-C309 HydrophobicContact CD1-CB 3.57Å; L116-C309 HydrophobicContact CD2-CB 4.17Å; L116-C309 HydrophobicContact CG-CB 4.04Å; F305-C309 WeakPolarHBondContact CE2-SG 3.39Å; F305-C309 VanDerWaalsContact CZ-SG 3.51Å; F305-C309 PolarHBondContact O-N 2.96Å; F305-C309 PolarHBondContact O-SG 2.73Å; L306-C309 PolarHBondContact O-N 3.17Å; C309-S311 PolarHBondContact O-N 3.38Å; C309-M312 HydrophobicContact CB-CE 4.17Å; C309-M312 PolarHBondContact O-N 2.93Å; C309-L320 HydrophobicContact CB-CD1 3.99Å
310K90.8Very high90Very high125 Ų12567 Ų6754%0.54336%0.36SS..Hα-helixtrans-64.4-26.1179.2-73-179.5178.1-177.50113.6L116 L306 K307 K308L116-K310 HydrophobicContact CD1-CG 4.05Å; L306-K310 WeakPolarHBondContact O-CB 3.47Å; L306-K310 VanDerWaalsContact O-CG 3.3Å; L306-K310 WeakPolarHBondContact O-CG 3.43Å; L306-K310 PolarHBondContact O-N 3.14Å; K307-K310 PolarHBondContact O-N 3.4Å; K308-K310 PolarHBondContact O-N 2.8Å
311S91.7Very high91.2Very high94 Ų9462.9 Ų62.966%0.65734%0.338SS*.Hα-helixtrans-82.4-16178.873.50000114.4K307 K308 C309K307-S311 WeakPolarHBondContact O-CB 3.34Å; K307-S311 PolarHBondContact O-N 2.77Å; K307-S311 PolarHBondContact O-OG 2.87Å; K308-S311 PolarHBondContact O-N 2.99Å; K308-S311 VanDerWaalsContact O-N 3.12Å; K308-S311 PolarHBondContact O-OG 3.24Å; C309-S311 PolarHBondContact O-N 3.38Å
312M91.1Very high91.9Very high30 Ų3063.1 Ų63.115%0.14834%0.339CS..  trans-69.1145.2179.8-56.3-173.6-56.500109.9N118 K308 C309 Y314 V319 L320 T323N118-M312 PolarHBondContact ND2-O 3.18Å; K308-M312 VanDerWaalsContact O-CG 3.3Å; K308-M312 WeakPolarHBondContact O-CG 3.35Å; K308-M312 PolarHBondContact O-N 2.63Å; C309-M312 HydrophobicContact CB-CE 4.17Å; C309-M312 PolarHBondContact O-N 2.93Å; M312-Y314 HydrophobicContact CB-CD1 4.01Å; M312-Y314 HydrophobicContact CE-CD1 4.37Å; M312-Y314 HydrophobicContact CE-CE1 4.27Å; M312-V319 HydrophobicContact SD-CG1 4.47Å; M312-L320 HydrophobicContact CE-CB 4.24Å; M312-L320 HydrophobicContact CE-CD1 3.54Å; M312-T323 HydrophobicContact CE-CG2 4.37Å; M312-T323 HydrophobicContact SD-CG2 4.14Å; M312-T323 PolarHBondContact SD-OG1 2.99Å; M312-T323 VanDerWaalsContact SD-OG1 3.36Å
313Q87.9Confident92.2Very high193 Ų19363.1 Ų63.190%0.90234%0.339SS*.  trans-111.6123.3163.7-70.9-171.5-17.200108
314Y90.8Very high92.6Very high19 Ų1961.1 Ų61.18%0.07533%0.325CS..  trans-147149.2-179.462.7-91.2000110.6R117 N118 D119 M312 S316 V319 L320R117-Y314 WeakPolarHBondContact CA-OH 3.38Å; N118-Y314 PolarHBondContact N-OH 2.84Å; N118-Y314 WeakPolarHBondContact OD1-CD1 3.42Å; N118-Y314 WeakPolarHBondContact OD1-CE1 3.18Å; D119-Y314 HydrophobicContact CB-CD2 3.8Å; D119-Y314 HydrophobicContact CB-CE2 3.44Å; D119-Y314 VanDerWaalsContact CB-CE2 3.44Å; D119-Y314 WeakPolarHBondContact CB-O 3.49Å; D119-Y314 VanDerWaalsContact OD1-CE2 3.27Å; D119-Y314 WeakPolarHBondContact OD1-CE2 3.21Å; D119-Y314 PolarHBondContact OD1-OH 2.95Å; M312-Y314 HydrophobicContact CB-CD1 4.01Å; M312-Y314 HydrophobicContact CE-CD1 4.37Å; M312-Y314 HydrophobicContact CE-CE1 4.27Å; Y314-S316 WeakPolarHBondContact CD2-O 3.42Å; Y314-V319 HydrophobicContact CG-CB 4.01Å; Y314-V319 HydrophobicContact CG-CG1 4.4Å; Y314-L320 HydrophobicContact CE1-CB 4.13Å; Y314-L320 HydrophobicContact CE2-CB 4.2Å
315T84.4Confident92.9Very high149 Ų14958.6 Ų58.691%0.91431%0.306SS*.SBendtrans-105.7-12.4174.353.70000112.3
316S90.1Very high92.9Very high44 Ų4462.8 Ų62.831%0.30833%0.329SS..SBendtrans-119.2131.9173.1176.80000110.6Y314 D318 V319Y314-S316 WeakPolarHBondContact CD2-O 3.42Å; S316-D318 PolarHBondContact O-N 3.35Å; S316-D318 WeakPolarHBondContact OG-CB 3.32Å; S316-D318 PolarHBondContact OG-N 3.05Å; S316-D318 PolarHBondContact OG-OD2 3.32Å; S316-V319 PolarHBondContact O-N 3.47Å; S316-V319 VanDerWaalsContact O-N 3.11Å
317L92.9Very high93Very high12 Ų1262.9 Ų62.96%0.06333%0.328CS..Hα-helixtrans-54.8-18173-172.461.6000113.2F113 E277 V319 L320 N321F113-L317 HydrophobicContact CZ-CD1 4.3Å; E277-L317 HydrophobicContact CG-CD2 3.71Å; L317-V319 VanDerWaalsContact C-N 3.25Å; L317-V319 PolarHBondContact O-N 3.28Å; L317-L320 HydrophobicContact CD1-CB 4.25Å; L317-L320 HydrophobicContact CD1-CD2 3.98Å; L317-L320 PolarHBondContact O-N 3.4Å; L317-N321 WeakPolarHBondContact O-CB 3.17Å; L317-N321 PolarHBondContact O-N 2.91Å; L317-N321 PolarHBondContact O-ND2 3.45Å
318D93.4Very high93.1Very high68 Ų6856.1 Ų56.136%0.36430%0.299SS..Hα-helixtrans-57.7-35.3174.5-66.5-43.8000113.2K276 S316 N321 N322K276-D318 WeakPolarHBondContact CE-OD1 3.33Å; K276-D318 IonicContact NZ-OD1 2.87Å; K276-D318 PolarHBondContact NZ-OD1 3.02Å; K276-D318 IonicContact NZ-OD2 3.5Å; K276-D318 PolarHBondContact NZ-OD2 3.31Å; S316-D318 PolarHBondContact O-N 3.35Å; S316-D318 WeakPolarHBondContact OG-CB 3.32Å; S316-D318 PolarHBondContact OG-N 3.05Å; S316-D318 PolarHBondContact OG-OD2 3.32Å; D318-N321 PolarHBondContact O-N 3.24Å; D318-N322 WeakPolarHBondContact O-CB 3.42Å; D318-N322 PolarHBondContact O-N 3.5Å; D318-N322 PolarHBondContact O-ND2 3.09Å; D318-N322 PolarHBondContact O-OD1 3.04Å
319V94Very high93.1Very high65 Ų6552.5 Ų52.539%0.39429%0.285SS..Hα-helixtrans-65-44.1178.8179.40000110.9M312 Y314 S316 L317 T323M312-V319 HydrophobicContact SD-CG1 4.47Å; Y314-V319 HydrophobicContact CG-CB 4.01Å; Y314-V319 HydrophobicContact CG-CG1 4.4Å; S316-V319 PolarHBondContact O-N 3.47Å; S316-V319 VanDerWaalsContact O-N 3.11Å; L317-V319 VanDerWaalsContact C-N 3.25Å; L317-V319 PolarHBondContact O-N 3.28Å; V319-T323 PolarHBondContact O-N 3.07Å; V319-T323 PolarHBondContact O-OG1 3.31Å
320L95.3Very high93Very high0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-67.2-42.1175.5-18059.9000111F113 L116 R117 C309 M312 Y314 L317 T323 M324F113-L320 HydrophobicContact CE2-CD2 4.19Å; L116-L320 HydrophobicContact CD2-CD1 4.17Å; L116-L320 HydrophobicContact CD2-CD2 4.36Å; R117-L320 HydrophobicContact CG-CD2 4.3Å; C309-L320 HydrophobicContact CB-CD1 3.99Å; M312-L320 HydrophobicContact CE-CB 4.24Å; M312-L320 HydrophobicContact CE-CD1 3.54Å; Y314-L320 HydrophobicContact CE1-CB 4.13Å; Y314-L320 HydrophobicContact CE2-CB 4.2Å; L317-L320 HydrophobicContact CD1-CB 4.25Å; L317-L320 HydrophobicContact CD1-CD2 3.98Å; L317-L320 PolarHBondContact O-N 3.4Å; L320-T323 WeakPolarHBondContact O-CB 3.33Å; L320-T323 PolarHBondContact O-N 3.44Å; L320-M324 HydrophobicContact CD1-CG 4.48Å; L320-M324 HydrophobicContact CG-CE 4.09Å; L320-M324 HydrophobicContact CG-SD 4.49Å; L320-M324 WeakPolarHBondContact O-CG 3.29Å; L320-M324 PolarHBondContact O-N 3.37Å
321N95.8Very high93.1Very high10 Ų1050.7 Ų50.75%0.05328%0.282CS..Hα-helixtrans-61.5-44.9177.5-83.9-33.8000112.9S280 L317 D318 T323 M324 D325S280-N321 WeakPolarHBondContact CB-OD1 3.43Å; S280-N321 PolarHBondContact OG-ND2 3.05Å; S280-N321 VanDerWaalsContact OG-ND2 3.17Å; S280-N321 PolarHBondContact OG-OD1 2.92Å; L317-N321 WeakPolarHBondContact O-CB 3.17Å; L317-N321 PolarHBondContact O-N 2.91Å; L317-N321 PolarHBondContact O-ND2 3.45Å; D318-N321 PolarHBondContact O-N 3.24Å; N321-T323 VanDerWaalsContact C-N 3.29Å; N321-T323 PolarHBondContact O-N 3.01Å; N321-M324 CarbonylContact O-C 3.57Å; N321-M324 WeakPolarHBondContact O-CB 3.38Å; N321-M324 PolarHBondContact O-N 2.92Å; N321-M324 VanDerWaalsContact O-N 3.13Å; N321-M324 WeakPolarHBondContact OD1-CE 3.45Å; N321-D325 WeakPolarHBondContact O-CB 3.35Å; N321-D325 PolarHBondContact O-N 3.3Å
322N94.9Very high93Very high94 Ų9447 Ų4750%0.50325%0.254SS..Hα-helixtrans-60.7-41.7176.2-67.8-15.9000111D318 M324 D325 D326D318-N322 WeakPolarHBondContact O-CB 3.42Å; D318-N322 PolarHBondContact O-N 3.5Å; D318-N322 PolarHBondContact O-ND2 3.09Å; D318-N322 PolarHBondContact O-OD1 3.04Å; N322-M324 VanDerWaalsContact C-N 3.31Å; N322-M324 PolarHBondContact O-N 3.02Å; N322-D325 PolarHBondContact O-N 3.25Å; N322-D326 PolarHBondContact O-N 2.81Å
323T95.3Very high93Very high13 Ų1352.3 Ų52.38%0.0828%0.279CS..Hα-helixtrans-62.4-39.3175.9-62.20000112.2F305 K308 M312 V319 L320 N321 E327F305-T323 HydrophobicContact CE2-CG2 4.46Å; K308-T323 HydrophobicContact CD-CG2 4.1Å; M312-T323 HydrophobicContact CE-CG2 4.37Å; M312-T323 HydrophobicContact SD-CG2 4.14Å; M312-T323 PolarHBondContact SD-OG1 2.99Å; M312-T323 VanDerWaalsContact SD-OG1 3.36Å; V319-T323 PolarHBondContact O-N 3.07Å; V319-T323 PolarHBondContact O-OG1 3.31Å; L320-T323 WeakPolarHBondContact O-CB 3.33Å; L320-T323 PolarHBondContact O-N 3.44Å; N321-T323 VanDerWaalsContact C-N 3.29Å; N321-T323 PolarHBondContact O-N 3.01Å; T323-E327 PolarHBondContact O-N 3.01Å
324M96.5Very high93Very high0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-69.2-36.5174.9-72.6-169.3-60.600112.2F113 K283 I287 F305 L320 N321 N322 E327 L328F113-M324 HydrophobicContact CE2-CE 4.38Å; K283-M324 HydrophobicContact CB-CB 4.26Å; K283-M324 HydrophobicContact CB-CE 4.17Å; K283-M324 HydrophobicContact CB-SD 4.07Å; K283-M324 HydrophobicContact CD-CB 4.36Å; K283-M324 HydrophobicContact CD-CE 4.35Å; I287-M324 HydrophobicContact CD1-CB 3.66Å; I287-M324 HydrophobicContact CD1-CG 3.74Å; I287-M324 HydrophobicContact CD1-SD 4.43Å; F305-M324 HydrophobicContact CE2-CG 4.21Å; F305-M324 HydrophobicContact CZ-CG 3.85Å; L320-M324 HydrophobicContact CD1-CG 4.48Å; L320-M324 HydrophobicContact CG-CE 4.09Å; L320-M324 HydrophobicContact CG-SD 4.49Å; L320-M324 WeakPolarHBondContact O-CG 3.29Å; L320-M324 PolarHBondContact O-N 3.37Å; N321-M324 CarbonylContact O-C 3.57Å; N321-M324 WeakPolarHBondContact O-CB 3.38Å; N321-M324 PolarHBondContact O-N 2.92Å; N321-M324 VanDerWaalsContact O-N 3.13Å; N321-M324 WeakPolarHBondContact OD1-CE 3.45Å; N322-M324 VanDerWaalsContact C-N 3.31Å; N322-M324 PolarHBondContact O-N 3.02Å; M324-E327 PolarHBondContact O-N 3.03Å; M324-L328 WeakPolarHBondContact O-CB 3.45Å; M324-L328 WeakPolarHBondContact O-CG 3.27Å; M324-L328 PolarHBondContact O-N 3.27Å
325D96.1Very high92.7Very high20 Ų2052.6 Ų52.611%0.10728%0.279CS..Hα-helixtrans-69.4-39179.9-70.9-19.9000112.2K283 N321 N322 T329 L394K283-D325 VanDerWaalsContact CD-OD1 3.26Å; K283-D325 WeakPolarHBondContact CD-OD1 3.46Å; K283-D325 WeakPolarHBondContact CE-OD1 3.48Å; K283-D325 IonicContact NZ-OD1 3.78Å; K283-D325 PolarHBondContact NZ-OD1 3.5Å; K283-D325 IonicContact NZ-OD2 3.06Å; K283-D325 PolarHBondContact NZ-OD2 3.12Å; N321-D325 WeakPolarHBondContact O-CB 3.35Å; N321-D325 PolarHBondContact O-N 3.3Å; N322-D325 PolarHBondContact O-N 3.25Å; D325-T329 WeakPolarHBondContact O-CB 3.42Å; D325-T329 PolarHBondContact O-N 3.05Å; D325-T329 PolarHBondContact O-OG1 3.5Å; D325-L394 HydrophobicContact CB-CD1 3.79Å; D325-L394 WeakPolarHBondContact OD1-CD1 3.46Å
326D95Very high93Very high95 Ų9548.2 Ų48.251%0.50825%0.25SS..Hα-helixtrans-61.6-47171.5-69.5-20.4000111.1N322 T329 N330N322-D326 PolarHBondContact O-N 2.81Å; D326-T329 PolarHBondContact O-N 3.38Å; D326-N330 WeakPolarHBondContact O-CB 3.33Å; D326-N330 VanDerWaalsContact O-CG 3.26Å; D326-N330 PolarHBondContact O-N 3.49Å; D326-N330 PolarHBondContact O-ND2 2.87Å
327E95.1Very high93.1Very high41 Ų4154 Ų5419%0.19227%0.269CS..Hα-helixtrans-63.3-44178.7-178.464.3-168.100111.6I287 R292 F305 T323 M324 T329 N330 L331I287-E327 HydrophobicContact CD1-CB 4.15Å; I287-E327 HydrophobicContact CD1-CG 4.17Å; I287-E327 HydrophobicContact CG1-CG 4.14Å; I287-E327 HydrophobicContact CG2-CG 3.65Å; R292-E327 IonicContact NH2-OE1 2.68Å; R292-E327 PolarHBondContact NH2-OE1 2.84Å; F305-E327 HydrophobicContact CD2-CB 4.12Å; F305-E327 HydrophobicContact CD2-CG 3.81Å; F305-E327 HydrophobicContact CE2-CB 4.15Å; F305-E327 HydrophobicContact CE2-CG 4.16Å; F305-E327 HydrophobicContact CG-CG 4.44Å; T323-E327 PolarHBondContact O-N 3.01Å; M324-E327 PolarHBondContact O-N 3.03Å; E327-T329 PolarHBondContact O-N 2.86Å; E327-N330 PolarHBondContact O-N 3.02Å; E327-L331 HydrophobicContact CG-CD1 4.1Å; E327-L331 WeakPolarHBondContact O-CB 3.49Å; E327-L331 VanDerWaalsContact O-CG 3.29Å; E327-L331 WeakPolarHBondContact O-CG 3.41Å; E327-L331 PolarHBondContact O-N 3.43Å
328L95.1Very high93Very high5 Ų554.8 Ų54.83%0.02627%0.274CS..Hα-helixtrans-62.9-42.8176.8-79.5172.6000112.1K283 L286 I287 M324 N330 L331 I332 L394K283-L328 HydrophobicContact CB-CD1 3.88Å; K283-L328 HydrophobicContact CD-CD1 4.4Å; K283-L328 HydrophobicContact CG-CD1 3.77Å; L286-L328 HydrophobicContact CB-CD2 4.14Å; L286-L328 HydrophobicContact CD2-CD2 3.62Å; L286-L328 HydrophobicContact CG-CD2 3.66Å; I287-L328 HydrophobicContact CD1-CD1 4.47Å; I287-L328 HydrophobicContact CD1-CD2 4.41Å; I287-L328 HydrophobicContact CD1-CG 3.94Å; I287-L328 HydrophobicContact CG1-CD1 4.39Å; I287-L328 HydrophobicContact CG1-CD2 3.52Å; I287-L328 HydrophobicContact CG1-CG 3.58Å; M324-L328 WeakPolarHBondContact O-CB 3.45Å; M324-L328 WeakPolarHBondContact O-CG 3.27Å; M324-L328 PolarHBondContact O-N 3.27Å; L328-N330 VanDerWaalsContact C-N 3.35Å; L328-L331 PolarHBondContact O-N 3.02Å; L328-I332 WeakPolarHBondContact O-CB 3.48Å; L328-I332 WeakPolarHBondContact O-CD1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.42Å; L328-I332 PolarHBondContact O-N 3.3Å; L328-L394 HydrophobicContact CB-CD1 4.29Å; L328-L394 HydrophobicContact CB-CD2 4.07Å; L328-L394 HydrophobicContact CD1-CD1 4.36Å
329T94.1Very high92.9Very high26 Ų2651.5 Ų51.516%0.1626%0.256CS..Hα-helixtrans-60.9-46.7177.4-63.10000110.4D325 D326 E327 L331 I332 E333 V393D325-T329 WeakPolarHBondContact O-CB 3.42Å; D325-T329 PolarHBondContact O-N 3.05Å; D325-T329 PolarHBondContact O-OG1 3.5Å; D326-T329 PolarHBondContact O-N 3.38Å; E327-T329 PolarHBondContact O-N 2.86Å; T329-L331 VanDerWaalsContact C-N 3.35Å; T329-L331 PolarHBondContact O-N 2.97Å; T329-I332 PolarHBondContact O-N 3.21Å; T329-E333 WeakPolarHBondContact O-CG 3.48Å; T329-E333 PolarHBondContact O-N 3.34Å; T329-V393 HydrophobicContact CG2-CB 4.42Å; T329-V393 HydrophobicContact CG2-CG1 3.99Å
330N92.8Very high92.9Very high72 Ų7252 Ų5239%0.38525%0.254SS..Hα-helixtrans-59.6-41.6175-72.5-39.6000112.8D326 E327 L328 K334D326-N330 WeakPolarHBondContact O-CB 3.33Å; D326-N330 VanDerWaalsContact O-CG 3.26Å; D326-N330 PolarHBondContact O-N 3.49Å; D326-N330 PolarHBondContact O-ND2 2.87Å; E327-N330 PolarHBondContact O-N 3.02Å; L328-N330 VanDerWaalsContact C-N 3.35Å; N330-K334 WeakPolarHBondContact O-CB 3.35Å; N330-K334 VanDerWaalsContact O-CG 3.29Å; N330-K334 WeakPolarHBondContact O-CG 3.2Å; N330-K334 PolarHBondContact O-N 3.22Å
331L92.5Very high92.8Very high15 Ų1554.8 Ų54.88%0.07927%0.271CS..Hα-helixtrans-66.7-43.2178.2-74.7169.8000112.1I287 W290 E327 L328 T329 K334 N335I287-L331 HydrophobicContact CB-CD1 4.44Å; I287-L331 HydrophobicContact CG1-CD1 4.35Å; I287-L331 HydrophobicContact CG2-CD1 4.26Å; W290-L331 HydrophobicContact CB-CD1 4.13Å; W290-L331 HydrophobicContact CD2-CB 3.97Å; W290-L331 HydrophobicContact CD2-CD1 4.17Å; W290-L331 HydrophobicContact CD2-CD2 4.48Å; W290-L331 HydrophobicContact CD2-CG 4.45Å; W290-L331 HydrophobicContact CE3-CB 4.18Å; W290-L331 HydrophobicContact CE3-CD1 4.26Å; W290-L331 HydrophobicContact CG-CB 4.45Å; W290-L331 HydrophobicContact CG-CD1 4.11Å; W290-L331 HydrophobicContact CG-CD2 4.09Å; W290-L331 HydrophobicContact CG-CG 4.47Å; W290-L331 HydrophobicContact CH2-CB 4.36Å; W290-L331 HydrophobicContact CZ2-CB 4.15Å; W290-L331 HydrophobicContact CZ3-CB 4.37Å; E327-L331 HydrophobicContact CG-CD1 4.1Å; E327-L331 WeakPolarHBondContact O-CB 3.49Å; E327-L331 VanDerWaalsContact O-CG 3.29Å; E327-L331 WeakPolarHBondContact O-CG 3.41Å; E327-L331 PolarHBondContact O-N 3.43Å; L328-L331 PolarHBondContact O-N 3.02Å; T329-L331 VanDerWaalsContact C-N 3.35Å; T329-L331 PolarHBondContact O-N 2.97Å; L331-K334 PolarHBondContact O-N 3.41Å; L331-N335 PolarHBondContact O-N 2.83Å
332I90.7Very high92.7Very high16 Ų1654.3 Ų54.38%0.08227%0.269CS..Hα-helixtrans-60.9-46.4176.3-73163.4000110W290 L328 T329 L336 L394 F397W290-I332 HydrophobicContact CH2-CG1 3.68Å; W290-I332 HydrophobicContact CZ3-CG1 4.2Å; L328-I332 WeakPolarHBondContact O-CB 3.48Å; L328-I332 WeakPolarHBondContact O-CD1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.42Å; L328-I332 PolarHBondContact O-N 3.3Å; T329-I332 PolarHBondContact O-N 3.21Å; I332-L336 HydrophobicContact CG2-CD1 4.27Å; I332-L336 WeakPolarHBondContact O-CA 3.44Å; I332-L336 VanDerWaalsContact O-CB 3.31Å; I332-L336 WeakPolarHBondContact O-CB 3.46Å; I332-L336 PolarHBondContact O-N 3.47Å; I332-L394 HydrophobicContact CD1-CD2 3.54Å; I332-F397 HydrophobicContact CD1-CD1 3.73Å; I332-F397 HydrophobicContact CD1-CE1 3.66Å; I332-F397 HydrophobicContact CD1-CG 4.23Å; I332-F397 HydrophobicContact CD1-CZ 4.13Å; I332-F397 HydrophobicContact CG1-CE1 4.11Å; I332-F397 HydrophobicContact CG1-CZ 4.1Å; I332-F397 HydrophobicContact CG2-CD2 3.76Å; I332-F397 HydrophobicContact CG2-CE1 4.44Å; I332-F397 HydrophobicContact CG2-CE2 3.54Å; I332-F397 HydrophobicContact CG2-CG 4.3Å; I332-F397 HydrophobicContact CG2-CZ 3.88Å
333E89.2Confident92.7Very high141 Ų14150.9 Ų50.966%0.65925%0.25SS*.Hα-helixtrans-65.4-40.3179.7-72.9178175.800112.9T329T329-E333 WeakPolarHBondContact O-CG 3.48Å; T329-E333 PolarHBondContact O-N 3.34Å
334K88.9Confident92.7Very high178 Ų17858.6 Ų58.677%0.77428%0.283SS*.Hα-helixtrans-80-35.8-176.8-71.7177.2-179.11780113.8N330 L331N330-K334 WeakPolarHBondContact O-CB 3.35Å; N330-K334 VanDerWaalsContact O-CG 3.29Å; N330-K334 WeakPolarHBondContact O-CG 3.2Å; N330-K334 PolarHBondContact O-N 3.22Å; L331-K334 PolarHBondContact O-N 3.41Å
335N85.2Confident92.7Very high41 Ų4161.5 Ų61.522%0.21930%0.298CS..  trans-14253.4-170.1-164.9-0.9000112.9W290 P291 L331 K337 I338W290-N335 WeakPolarHBondContact CZ2-O 3.4Å; P291-N335 PolarHBondContact O-ND2 3.49Å; L331-N335 PolarHBondContact O-N 2.83Å; N335-K337 VanDerWaalsContact C-N 3.27Å; N335-K337 PolarHBondContact O-N 3Å; N335-I338 WeakPolarHBondContact OD1-CG2 3.46Å
336L89.6Confident92.6Very high57 Ų5763.2 Ų63.230%0.29831%0.31SS..Hα-helixtrans-62.7-30.7179.1-175.852000113.9I332 I338 F339 Q340 F397I332-L336 HydrophobicContact CG2-CD1 4.27Å; I332-L336 WeakPolarHBondContact O-CA 3.44Å; I332-L336 VanDerWaalsContact O-CB 3.31Å; I332-L336 WeakPolarHBondContact O-CB 3.46Å; I332-L336 PolarHBondContact O-N 3.47Å; L336-I338 PolarHBondContact O-N 3.37Å; L336-F339 HydrophobicContact CD1-CD1 4.16Å; L336-F339 PolarHBondContact O-N 3.2Å; L336-Q340 HydrophobicContact CD1-CG 3.78Å; L336-Q340 HydrophobicContact CG-CG 3.82Å; L336-Q340 WeakPolarHBondContact O-CG 3.32Å; L336-Q340 PolarHBondContact O-N 3.27Å; L336-F397 HydrophobicContact CD1-CE2 3.53Å; L336-F397 HydrophobicContact CD1-CZ 3.79Å
337K92Very high92.7Very high164 Ų16462.5 Ų62.571%0.71331%0.306SS*.Hα-helixtrans-60.6-47.8-170.5-174.5178.1179.4-178.10112N335 F339 Q340 T341N335-K337 VanDerWaalsContact C-N 3.27Å; N335-K337 PolarHBondContact O-N 3Å; K337-F339 VanDerWaalsContact C-N 3.33Å; K337-F339 PolarHBondContact O-N 3.02Å; K337-Q340 PolarHBondContact O-N 2.82Å; K337-T341 PolarHBondContact O-N 3.47Å; K337-T341 PolarHBondContact O-OG1 3.35Å; K337-T341 VanDerWaalsContact O-OG1 3.08Å
338I90.5Very high92.7Very high29 Ų2961 Ų6115%0.14930%0.299CS..Hα-helixtrans-65.1-39.7-178.9-171.557.2000111.6P291 N335 L336 T341 A342 L348 F368P291-I338 HydrophobicContact CB-CG1 4.2Å; P291-I338 HydrophobicContact CG-CG1 3.94Å; N335-I338 WeakPolarHBondContact OD1-CG2 3.46Å; L336-I338 PolarHBondContact O-N 3.37Å; I338-T341 PolarHBondContact O-N 2.94Å; I338-A342 WeakPolarHBondContact O-CB 3.34Å; I338-A342 PolarHBondContact O-N 3.45Å; I338-L348 HydrophobicContact CD1-CD2 3.91Å; I338-F368 HydrophobicContact CG1-CE1 4.15Å; I338-F368 HydrophobicContact CG2-CZ 4.45Å
339F92.9Very high92.6Very high0 Ų062.5 Ų62.50%031%0.305CS..Hα-helixtrans-60.7-48.9174.7175.8-80.9000111.2L286 W290 L336 K337 T341 A342 L343 F368 I372 F397 W398 L401L286-F339 HydrophobicContact CD1-CD2 4.5Å; L286-F339 HydrophobicContact CD1-CE2 4.47Å; L286-F339 HydrophobicContact CD2-CE2 4.5Å; W290-F339 HydrophobicContact CH2-CB 3.63Å; W290-F339 AromaticContact CH2-CD2 3.56Å; W290-F339 HydrophobicContact CH2-CD2 3.56Å; W290-F339 AromaticContact CH2-CG 3.84Å; W290-F339 HydrophobicContact CH2-CG 3.84Å; W290-F339 HydrophobicContact CZ2-CB 3.8Å; W290-F339 HydrophobicContact CZ2-CD2 4.5Å; W290-F339 HydrophobicContact CZ2-CG 4.5Å; W290-F339 HydrophobicContact CZ3-CB 4.44Å; W290-F339 AromaticContact CZ3-CD2 3.65Å; W290-F339 HydrophobicContact CZ3-CD2 3.65Å; W290-F339 HydrophobicContact CZ3-CE2 4.38Å; W290-F339 HydrophobicContact CZ3-CG 4.39Å; L336-F339 HydrophobicContact CD1-CD1 4.16Å; L336-F339 PolarHBondContact O-N 3.2Å; K337-F339 VanDerWaalsContact C-N 3.33Å; K337-F339 PolarHBondContact O-N 3.02Å; F339-T341 VanDerWaalsContact C-N 3.32Å; F339-T341 PolarHBondContact O-N 3.5Å; F339-A342 PolarHBondContact O-N 3.47Å; F339-L343 HydrophobicContact CE1-CB 4.44Å; F339-L343 HydrophobicContact CE1-CD2 4.15Å; F339-L343 VanDerWaalsContact O-CB 3.29Å; F339-L343 WeakPolarHBondContact O-CB 3.35Å; F339-L343 PolarHBondContact O-N 3.33Å; F339-F368 HydrophobicContact CB-CZ 4.4Å; F339-I372 HydrophobicContact CD2-CD1 3.62Å; F339-I372 HydrophobicContact CD2-CG1 3.9Å; F339-I372 HydrophobicContact CE2-CB 4.43Å; F339-I372 HydrophobicContact CE2-CD1 3.91Å; F339-I372 HydrophobicContact CE2-CG1 3.69Å; F339-I372 HydrophobicContact CE2-CG2 3.99Å; F339-I372 HydrophobicContact CG-CD1 4.28Å; F339-I372 HydrophobicContact CZ-CG2 3.97Å; F339-F397 HydrophobicContact CD1-CE1 4.29Å; F339-F397 AromaticContact CD1-CZ 3.66Å; F339-F397 HydrophobicContact CD1-CZ 3.66Å; F339-F397 AromaticContact CE1-CE1 3.58Å; F339-F397 HydrophobicContact CE1-CE1 3.58Å; F339-F397 HydrophobicContact CE1-CE2 4.49Å; F339-F397 AromaticContact CE1-CZ 3.3Å; F339-F397 HydrophobicContact CE1-CZ 3.3Å; F339-F397 HydrophobicContact CE2-CE1 4.22Å; F339-F397 HydrophobicContact CE2-CZ 4.49Å; F339-F397 HydrophobicContact CG-CZ 4.43Å; F339-F397 AromaticContact CZ-CE1 3.53Å; F339-F397 HydrophobicContact CZ-CE1 3.53Å; F339-F397 AromaticContact CZ-CZ 3.77Å; F339-F397 HydrophobicContact CZ-CZ 3.77Å; F339-W398 AromaticContact CE2-CH2 3.67Å; F339-W398 HydrophobicContact CE2-CH2 3.67Å; F339-W398 HydrophobicContact CE2-CZ2 4.2Å; F339-W398 HydrophobicContact CE2-CZ3 4.31Å; F339-W398 HydrophobicContact CZ-CE3 4.43Å; F339-W398 AromaticContact CZ-CH2 3.44Å; F339-W398 HydrophobicContact CZ-CH2 3.44Å; F339-W398 VanDerWaalsContact CZ-CH2 3.44Å; F339-W398 HydrophobicContact CZ-CZ2 4.13Å; F339-W398 AromaticContact CZ-CZ3 3.62Å; F339-W398 HydrophobicContact CZ-CZ3 3.62Å; F339-L401 HydrophobicContact CE1-CD1 3.68Å; F339-L401 HydrophobicContact CZ-CD1 4.09Å
340Q93.1Very high92.7Very high74 Ų7468 Ų6835%0.34632%0.323SS..Hα-helixtrans-63.1-37.9178.6-74.9179.2-20.700112.5L336 K337 K344L336-Q340 HydrophobicContact CD1-CG 3.78Å; L336-Q340 HydrophobicContact CG-CG 3.82Å; L336-Q340 WeakPolarHBondContact O-CG 3.32Å; L336-Q340 PolarHBondContact O-N 3.27Å; K337-Q340 PolarHBondContact O-N 2.82Å; Q340-K344 WeakPolarHBondContact O-CB 3.48Å; Q340-K344 WeakPolarHBondContact O-CG 3.46Å; Q340-K344 PolarHBondContact O-N 2.68Å; Q340-K344 VanDerWaalsContact O-N 3.08Å
341T94Very high92.6Very high59 Ų5970.6 Ų70.636%0.36233%0.332SS..Hα-helixtrans-64.5-48175.1-62.50000111K337 I338 F339 L343 K344 N345 L348K337-T341 PolarHBondContact O-N 3.47Å; K337-T341 PolarHBondContact O-OG1 3.35Å; K337-T341 VanDerWaalsContact O-OG1 3.08Å; I338-T341 PolarHBondContact O-N 2.94Å; F339-T341 VanDerWaalsContact C-N 3.32Å; F339-T341 PolarHBondContact O-N 3.5Å; T341-L343 VanDerWaalsContact C-N 3.33Å; T341-L343 PolarHBondContact O-N 3.37Å; T341-K344 PolarHBondContact O-N 2.86Å; T341-N345 PolarHBondContact O-N 3.29Å; T341-L348 HydrophobicContact CG2-CD1 4.1Å; T341-L348 HydrophobicContact CG2-CD2 4.04Å
342A93.8Very high92.4Very high0 Ų073.5 Ų73.50%034%0.343CS..Hα-helixtrans-66-34.9178.400000112.6I338 F339 N345 L348 F368 I372I338-A342 WeakPolarHBondContact O-CB 3.34Å; I338-A342 PolarHBondContact O-N 3.45Å; F339-A342 PolarHBondContact O-N 3.47Å; A342-N345 CarbonylContact O-C 3.56Å; A342-N345 PolarHBondContact O-N 3.15Å; A342-N345 VanDerWaalsContact O-O 3.12Å; A342-L348 HydrophobicContact CB-CD2 3.93Å; A342-F368 HydrophobicContact CB-CD1 4.02Å; A342-F368 HydrophobicContact CB-CE1 3.66Å; A342-I372 HydrophobicContact CB-CD1 3.81Å
343L93.8Very high92.4Very high23 Ų2379.8 Ų79.812%0.1237%0.366CS..Hα-helixtrans-62.9-45.6174.6-179.568.2000111.5F339 T341 I372 Q373 K376 L401F339-L343 HydrophobicContact CE1-CB 4.44Å; F339-L343 HydrophobicContact CE1-CD2 4.15Å; F339-L343 VanDerWaalsContact O-CB 3.29Å; F339-L343 WeakPolarHBondContact O-CB 3.35Å; F339-L343 PolarHBondContact O-N 3.33Å; T341-L343 VanDerWaalsContact C-N 3.33Å; T341-L343 PolarHBondContact O-N 3.37Å; L343-I372 HydrophobicContact CB-CG2 4.01Å; L343-I372 HydrophobicContact CD1-CG2 3.5Å; L343-I372 HydrophobicContact CG-CG2 4.35Å; L343-Q373 PolarHBondContact O-NE2 3.31Å; L343-K376 HydrophobicContact CD1-CD 3.99Å; L343-L401 HydrophobicContact CD2-CB 4.03Å; L343-L401 HydrophobicContact CD2-CD1 3.84Å; L343-L401 HydrophobicContact CD2-CD2 3.73Å; L343-L401 HydrophobicContact CD2-CG 4.08Å
344K95.2Very high92.2Very high175 Ų17576.7 Ų76.776%0.76136%0.357SS*.Hα-helixtrans-75-28.6179.5-70.5176.2-177.2178.80113.1Q340 T341Q340-K344 WeakPolarHBondContact O-CB 3.48Å; Q340-K344 WeakPolarHBondContact O-CG 3.46Å; Q340-K344 PolarHBondContact O-N 2.68Å; Q340-K344 VanDerWaalsContact O-N 3.08Å; T341-K344 PolarHBondContact O-N 2.86Å
345N96.4Very high91.7Very high61 Ų6175.5 Ų75.533%0.32637%0.365SS..  trans-125.387178.1-178.911.4000110.3T341 A342 L347 L348T341-N345 PolarHBondContact O-N 3.29Å; A342-N345 CarbonylContact O-C 3.56Å; A342-N345 PolarHBondContact O-N 3.15Å; A342-N345 VanDerWaalsContact O-O 3.12Å; N345-L347 PolarHBondContact O-N 3.44Å; N345-L347 PolarHBondContact OD1-N 2.87Å; N345-L347 VanDerWaalsContact OD1-N 3.15Å; N345-L348 HydrophobicContact CB-CB 4.49Å; N345-L348 VanDerWaalsContact O-CB 3.3Å; N345-L348 WeakPolarHBondContact O-CB 3.31Å; N345-L348 PolarHBondContact O-N 2.86Å; N345-L348 PolarHBondContact OD1-N 2.93Å
346P95.2Very high91.7Very high55 Ų5577.5 Ų77.536%0.35740%0.395SS..THydrogen-bonded Turntrans-58.9-15.8177.2-23.632.7000114.4W349 C369 Q373P346-W349 VanDerWaalsContact O-CD1 3.32Å; P346-C369 WeakPolarHBondContact O-CB 3.18Å; P346-Q373 HydrophobicContact CB-CG 4.11Å; P346-Q373 HydrophobicContact CG-CG 4.23Å
347L96.3Very high91.5Very high81 Ų8177.2 Ų77.242%0.42440%0.396SS..THydrogen-bonded Turntrans-98.78.9179.4-60.8-179.1000113.5N345 W349 R350N345-L347 PolarHBondContact O-N 3.44Å; N345-L347 PolarHBondContact OD1-N 2.87Å; N345-L347 VanDerWaalsContact OD1-N 3.15Å; L347-W349 PolarHBondContact O-N 3.46Å; L347-W349 VanDerWaalsContact O-N 3.09Å; L347-R350 WeakPolarHBondContact O-CB 3.4Å; L347-R350 WeakPolarHBondContact O-CG 3.33Å; L347-R350 PolarHBondContact O-N 2.99Å
348L95.1Very high91.2Very high8 Ų876.9 Ų76.94%0.04240%0.395CS..G310 helixtrans-49.7-37179.1176.567.8000112.7I338 T341 A342 N345 R350 E351I338-L348 HydrophobicContact CD1-CD2 3.91Å; T341-L348 HydrophobicContact CG2-CD1 4.1Å; T341-L348 HydrophobicContact CG2-CD2 4.04Å; A342-L348 HydrophobicContact CB-CD2 3.93Å; N345-L348 HydrophobicContact CB-CB 4.49Å; N345-L348 VanDerWaalsContact O-CB 3.3Å; N345-L348 WeakPolarHBondContact O-CB 3.31Å; N345-L348 PolarHBondContact O-N 2.86Å; N345-L348 PolarHBondContact OD1-N 2.93Å; L348-R350 PolarHBondContact O-N 3.01Å; L348-E351 WeakPolarHBondContact O-CB 3.34Å; L348-E351 PolarHBondContact O-N 3.16Å
349W94.4Very high91.1Very high38 Ų3879.2 Ų79.214%0.14441%0.41CS..G310 helixtrans-55.3-24.3177.167.6-93.9000114.4P346 L347 E351 Y352 Y353 W362 M365 H366P346-W349 VanDerWaalsContact O-CD1 3.32Å; L347-W349 PolarHBondContact O-N 3.46Å; L347-W349 VanDerWaalsContact O-N 3.09Å; W349-E351 PolarHBondContact O-N 3.39Å; W349-Y352 WeakPolarHBondContact O-CB 3.43Å; W349-Y352 PolarHBondContact O-N 3.43Å; W349-Y353 HydrophobicContact CZ3-CG 4.29Å; W349-Y353 PolarHBondContact O-N 3.4Å; W349-W362 HydrophobicContact CE3-CE3 4.37Å; W349-W362 HydrophobicContact CZ3-CE3 4.38Å; W349-M365 HydrophobicContact CB-CB 4.05Å; W349-M365 HydrophobicContact CB-CG 3.8Å; W349-H366 HydrophobicContact CB-CB 4.05Å; W349-H366 AromaticContact CD1-CD2 3.83Å; W349-H366 HydrophobicContact CD2-CB 4.01Å; W349-H366 AromaticContact CD2-CD2 3.82Å; W349-H366 AromaticContact CE2-CD2 3.54Å; W349-H366 HydrophobicContact CE3-CB 4.27Å; W349-H366 HydrophobicContact CG-CB 3.91Å; W349-H366 AromaticContact CG-CD2 4Å; W349-H366 AromaticContact CZ2-CD2 3.99Å; W349-H366 AromaticContact NE1-CD2 3.55Å
350R94.4Very high90.9Very high142 Ų14283.1 Ų83.154%0.53644%0.438SS..G310 helixtrans-66-24.4178.5-67.2-173.8177.5178.92.2113L347 L348 Y352 Y353L347-R350 WeakPolarHBondContact O-CB 3.4Å; L347-R350 WeakPolarHBondContact O-CG 3.33Å; L347-R350 PolarHBondContact O-N 2.99Å; L348-R350 PolarHBondContact O-N 3.01Å; R350-Y352 PolarHBondContact O-N 3.24Å; R350-Y353 PolarHBondContact O-N 2.91Å; R350-Y353 VanDerWaalsContact O-N 3.15Å
351E91.7Very high90.8Very high125 Ų12582.5 Ų82.558%0.58444%0.439SS*.G310 helixtrans-64.5-26.5172.6-62.8177.8-166.100111.7L348 W349 T354L348-E351 WeakPolarHBondContact O-CB 3.34Å; L348-E351 PolarHBondContact O-N 3.16Å; W349-E351 PolarHBondContact O-N 3.39Å; E351-T354 WeakPolarHBondContact O-CG2 3.4Å
352Y89.3Confident90.6Very high77 Ų7782.4 Ų82.430%0.30243%0.432SS..THydrogen-bonded Turntrans-90.1-17.4176.6-60.7-101.3000112.1W349 R350 T354 V357 T361 W362 M365W349-Y352 WeakPolarHBondContact O-CB 3.43Å; W349-Y352 PolarHBondContact O-N 3.43Å; R350-Y352 PolarHBondContact O-N 3.24Å; Y352-T354 PolarHBondContact O-N 3.42Å; Y352-V357 WeakPolarHBondContact O-CB 3.25Å; Y352-V357 WeakPolarHBondContact O-CG1 3.41Å; Y352-T361 HydrophobicContact CD1-CG2 4.44Å; Y352-W362 WeakPolarHBondContact O-CB 3.49Å; Y352-M365 HydrophobicContact CD1-CE 4.39Å; Y352-M365 HydrophobicContact CD2-CB 4.27Å; Y352-M365 HydrophobicContact CD2-CE 4.31Å; Y352-M365 HydrophobicContact CD2-CG 3.68Å; Y352-M365 HydrophobicContact CE1-CE 3.82Å; Y352-M365 HydrophobicContact CE2-CE 3.74Å; Y352-M365 HydrophobicContact CE2-CG 3.85Å; Y352-M365 HydrophobicContact CE2-SD 4.22Å; Y352-M365 HydrophobicContact CG-CB 4.32Å; Y352-M365 HydrophobicContact CG-CG 4.22Å; Y352-M365 VanDerWaalsContact CZ-CE 3.46Å
353Y89.4Confident90.6Very high147 Ų14783.9 Ų83.958%0.57644%0.441SS*.SBendtrans-81.263174.6-174-118000110.7W349 R350 W362W349-Y353 HydrophobicContact CZ3-CG 4.29Å; W349-Y353 PolarHBondContact O-N 3.4Å; R350-Y353 PolarHBondContact O-N 2.91Å; R350-Y353 VanDerWaalsContact O-N 3.15Å; Y353-W362 AromaticContact CD2-CD2 3.75Å; Y353-W362 HydrophobicContact CD2-CD2 3.75Å; Y353-W362 AromaticContact CD2-CE2 3.65Å; Y353-W362 HydrophobicContact CD2-CE3 4.23Å; Y353-W362 HydrophobicContact CD2-CG 4.05Å; Y353-W362 HydrophobicContact CD2-CZ2 4.11Å; Y353-W362 AromaticContact CD2-NE1 3.75Å; Y353-W362 HydrophobicContact CE2-CD2 4.48Å; Y353-W362 AromaticContact CE2-CE2 3.97Å; Y353-W362 HydrophobicContact CE2-CZ2 4.01Å
354T85.3Confident90.6Very high76 Ų7686.4 Ų86.447%0.46645%0.449SS..SBendtrans-126.5157.7-178.755.40000110.9E351 Y352 G356 V357E351-T354 WeakPolarHBondContact O-CG2 3.4Å; Y352-T354 PolarHBondContact O-N 3.42Å; T354-G356 PolarHBondContact O-N 3.32Å; T354-V357 PolarHBondContact O-N 3.39Å; T354-V357 WeakPolarHBondContact OG1-CG2 3.29Å
355T78.9Confident90.6Very high153 Ų15378.7 Ų78.794%0.93942%0.415SS*.THydrogen-bonded Turntrans-58.5128.4178.7-50.20000110.7
356G84.1Confident90.6Very high83 Ų8377.1 Ų77.186%0.85641%0.406SS*.THydrogen-bonded Turntrans97.8-12.3177.800000114.9T354T354-G356 PolarHBondContact O-N 3.32Å
357V85Confident90.8Very high51 Ų5174.5 Ų74.531%0.30939%0.389SS..SBendtrans-82.3135.9170.6-179.80000109.6Y352 T354 T361Y352-V357 WeakPolarHBondContact O-CB 3.25Å; Y352-V357 WeakPolarHBondContact O-CG1 3.41Å; T354-V357 PolarHBondContact O-N 3.39Å; T354-V357 WeakPolarHBondContact OG1-CG2 3.29Å; V357-T361 HydrophobicContact CG1-CG2 3.91Å
358K87.4Confident90.8Very high158 Ų15870.7 Ų70.769%0.68737%0.369SS*.  trans-62.2142.1176.7-69.2-178.5179.4177.40110.5S360 T361K358-S360 VanDerWaalsContact C-N 3.27Å; K358-S360 PolarHBondContact O-N 3.28Å; K358-T361 WeakPolarHBondContact O-CB 3.44Å; K358-T361 PolarHBondContact O-N 3.48Å
359T88.6Confident90.9Very high78 Ų7870.3 Ų70.348%0.47937%0.367SS..Hα-helixtrans-53.4-43.9178.5-57.80000112.9T361 W362 V363T359-T361 PolarHBondContact O-N 3.49Å; T359-W362 HydrophobicContact CG2-CZ2 3.8Å; T359-W362 PolarHBondContact O-N 2.81Å; T359-V363 HydrophobicContact CG2-CG2 4.1Å; T359-V363 WeakPolarHBondContact O-CB 3.46Å; T359-V363 VanDerWaalsContact O-CG2 3.24Å; T359-V363 WeakPolarHBondContact O-CG2 3.31Å; T359-V363 PolarHBondContact O-N 3.05Å; T359-V363 VanDerWaalsContact O-N 3.07Å
360S88Confident91.1Very high82 Ų8270 Ų7057%0.57337%0.37SS*.Hα-helixtrans-58.9-33.4177.953.80000113.4K358 R364K358-S360 VanDerWaalsContact C-N 3.27Å; K358-S360 PolarHBondContact O-N 3.28Å; S360-R364 WeakPolarHBondContact O-CB 3.29Å; S360-R364 PolarHBondContact O-N 3.08Å
361T89.7Confident91.3Very high61 Ų6163.3 Ų63.337%0.37434%0.344SS..Hα-helixtrans-69.5-49.9-177.8-55.50000111.7Y352 V357 K358 T359 R364 M365Y352-T361 HydrophobicContact CD1-CG2 4.44Å; V357-T361 HydrophobicContact CG1-CG2 3.91Å; K358-T361 WeakPolarHBondContact O-CB 3.44Å; K358-T361 PolarHBondContact O-N 3.48Å; T359-T361 PolarHBondContact O-N 3.49Å; T361-R364 PolarHBondContact O-N 2.94Å; T361-M365 PolarHBondContact O-N 3.08Å; T361-M365 VanDerWaalsContact O-N 3.13Å
362W91.5Very high91.6Very high56 Ų5657.3 Ų57.321%0.21232%0.316CS..Hα-helixtrans-74.7-31.5-179.269.7-107000112.1W349 Y352 Y353 T359 R364 M365 H366W349-W362 HydrophobicContact CE3-CE3 4.37Å; W349-W362 HydrophobicContact CZ3-CE3 4.38Å; Y352-W362 WeakPolarHBondContact O-CB 3.49Å; Y353-W362 AromaticContact CD2-CD2 3.75Å; Y353-W362 HydrophobicContact CD2-CD2 3.75Å; Y353-W362 AromaticContact CD2-CE2 3.65Å; Y353-W362 HydrophobicContact CD2-CE3 4.23Å; Y353-W362 HydrophobicContact CD2-CG 4.05Å; Y353-W362 HydrophobicContact CD2-CZ2 4.11Å; Y353-W362 AromaticContact CD2-NE1 3.75Å; Y353-W362 HydrophobicContact CE2-CD2 4.48Å; Y353-W362 AromaticContact CE2-CE2 3.97Å; Y353-W362 HydrophobicContact CE2-CZ2 4.01Å; T359-W362 HydrophobicContact CG2-CZ2 3.8Å; T359-W362 PolarHBondContact O-N 2.81Å; W362-R364 VanDerWaalsContact C-N 3.34Å; W362-M365 PolarHBondContact O-N 2.99Å; W362-H366 WeakPolarHBondContact O-CB 3.33Å; W362-H366 PolarHBondContact O-N 3.41Å
363V93.4Very high91.9Very high31 Ų3156 Ų5619%0.18831%0.313CS..Hα-helixtrans-61.7-44.31721700000110.3T359 M365 H366 D367T359-V363 HydrophobicContact CG2-CG2 4.1Å; T359-V363 WeakPolarHBondContact O-CB 3.46Å; T359-V363 VanDerWaalsContact O-CG2 3.24Å; T359-V363 WeakPolarHBondContact O-CG2 3.31Å; T359-V363 PolarHBondContact O-N 3.05Å; T359-V363 VanDerWaalsContact O-N 3.07Å; V363-M365 VanDerWaalsContact C-N 3.31Å; V363-M365 PolarHBondContact O-N 3.17Å; V363-H366 WeakPolarHBondContact O-CB 3.48Å; V363-H366 PolarHBondContact O-N 3.08Å; V363-D367 PolarHBondContact O-N 3.18Å
364R94.2Very high92.4Very high77 Ų7749.3 Ų49.329%0.29129%0.287SS..Hα-helixtrans-59.3-41.9175.4-173.5-171.8174.5100.8-5.2111.9T288 R289 S360 T361 W362 D367 F368T288-R364 PolarHBondContact O-NH1 2.87Å; T288-R364 PolarHBondContact O-NH2 3.15Å; R289-R364 HydrophobicContact CB-CG 4.28Å; S360-R364 WeakPolarHBondContact O-CB 3.29Å; S360-R364 PolarHBondContact O-N 3.08Å; T361-R364 PolarHBondContact O-N 2.94Å; W362-R364 VanDerWaalsContact C-N 3.34Å; R364-D367 PolarHBondContact O-N 2.85Å; R364-F368 PolarHBondContact O-N 2.96Å
365M95Very high92.9Very high12 Ų1245.8 Ų45.86%0.05927%0.265CS..Hα-helixtrans-69.8-36.7176.9-169.76365.100112.3P291 W349 Y352 T361 W362 V363 D367 F368 C369P291-M365 HydrophobicContact CB-CE 4.11Å; P291-M365 HydrophobicContact CG-CE 3.49Å; P291-M365 VanDerWaalsContact CG-CE 3.49Å; P291-M365 HydrophobicContact CG-SD 3.93Å; W349-M365 HydrophobicContact CB-CB 4.05Å; W349-M365 HydrophobicContact CB-CG 3.8Å; Y352-M365 HydrophobicContact CD1-CE 4.39Å; Y352-M365 HydrophobicContact CD2-CB 4.27Å; Y352-M365 HydrophobicContact CD2-CE 4.31Å; Y352-M365 HydrophobicContact CD2-CG 3.68Å; Y352-M365 HydrophobicContact CE1-CE 3.82Å; Y352-M365 HydrophobicContact CE2-CE 3.74Å; Y352-M365 HydrophobicContact CE2-CG 3.85Å; Y352-M365 HydrophobicContact CE2-SD 4.22Å; Y352-M365 HydrophobicContact CG-CB 4.32Å; Y352-M365 HydrophobicContact CG-CG 4.22Å; Y352-M365 VanDerWaalsContact CZ-CE 3.46Å; T361-M365 PolarHBondContact O-N 3.08Å; T361-M365 VanDerWaalsContact O-N 3.13Å; W362-M365 PolarHBondContact O-N 2.99Å; V363-M365 VanDerWaalsContact C-N 3.31Å; V363-M365 PolarHBondContact O-N 3.17Å; M365-D367 VanDerWaalsContact C-N 3.33Å; M365-F368 PolarHBondContact O-N 3.44Å; M365-F368 HydrophobicContact SD-CD1 3.97Å; M365-C369 PolarHBondContact O-N 3.13Å; M365-C369 PolarHBondContact O-SG 3.29Å
366H96.6Very high93.8Very high28 Ų2841.3 Ų41.313%0.1323%0.233CC..Hα-helixtrans-60.7-45.5172.3174.6-115.5000110.7A229 W349 W362 V363 F368 C369 V370A229-H366 WeakPolarHBondContact CB-CE1 3.08Å; A229-H366 WeakPolarHBondContact CB-ND1 3.4Å; W349-H366 HydrophobicContact CB-CB 4.05Å; W349-H366 AromaticContact CD1-CD2 3.83Å; W349-H366 HydrophobicContact CD2-CB 4.01Å; W349-H366 AromaticContact CD2-CD2 3.82Å; W349-H366 AromaticContact CE2-CD2 3.54Å; W349-H366 HydrophobicContact CE3-CB 4.27Å; W349-H366 HydrophobicContact CG-CB 3.91Å; W349-H366 AromaticContact CG-CD2 4Å; W349-H366 AromaticContact CZ2-CD2 3.99Å; W349-H366 AromaticContact NE1-CD2 3.55Å; W362-H366 WeakPolarHBondContact O-CB 3.33Å; W362-H366 PolarHBondContact O-N 3.41Å; V363-H366 WeakPolarHBondContact O-CB 3.48Å; V363-H366 PolarHBondContact O-N 3.08Å; H366-F368 PolarHBondContact O-N 3.13Å; H366-C369 PolarHBondContact O-N 3.26Å; H366-V370 WeakPolarHBondContact O-CG2 3.46Å; H366-V370 PolarHBondContact O-N 2.84Å
367D97.8Very high94.4Very high1 Ų142.5 Ų42.51%0.00522%0.216CC..Hα-helixtrans-58.7-46.7175.1-70.6-18.1000112S107 W109 A229 R289 V363 R364 M365 C369 V370 V371S107-D367 PolarHBondContact OG-OD1 2.96Å; S107-D367 PolarHBondContact OG-OD2 3.44Å; W109-D367 HydrophobicContact CZ2-CB 3.71Å; W109-D367 WeakPolarHBondContact CZ2-OD1 3.32Å; W109-D367 PolarHBondContact NE1-OD1 3.21Å; W109-D367 PolarHBondContact NE1-OD2 3.4Å; A229-D367 WeakPolarHBondContact CB-OD1 3.41Å; R289-D367 HydrophobicContact CB-CB 4.41Å; R289-D367 HydrophobicContact CG-CB 3.77Å; R289-D367 IonicContact CZ-OD2 3.87Å; R289-D367 IonicContact NE-OD2 2.76Å; R289-D367 PolarHBondContact NE-OD2 2.72Å; R289-D367 VanDerWaalsContact NE-OD2 3.07Å; R289-D367 IonicContact NH2-OD2 3.52Å; V363-D367 PolarHBondContact O-N 3.18Å; R364-D367 PolarHBondContact O-N 2.85Å; M365-D367 VanDerWaalsContact C-N 3.33Å; D367-C369 PolarHBondContact O-N 3.34Å; D367-V370 PolarHBondContact O-N 3.07Å; D367-V371 WeakPolarHBondContact O-CB 3.42Å; D367-V371 VanDerWaalsContact O-CG1 3.31Å; D367-V371 WeakPolarHBondContact O-CG1 3.16Å; D367-V371 PolarHBondContact O-N 3.46Å
368F97.2Very high95Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-59.7-46.1176.7179.6-110.5000112.7L286 R289 W290 P291 I338 F339 A342 R364 M365 H366 V370 V371 I372L286-F368 HydrophobicContact CD1-CD2 3.99Å; L286-F368 HydrophobicContact CD1-CE2 3.74Å; R289-F368 HydrophobicContact CB-CB 4.03Å; W290-F368 HydrophobicContact CB-CE2 4.28Å; W290-F368 AromaticContact CD2-CE2 3.84Å; W290-F368 HydrophobicContact CD2-CE2 3.84Å; W290-F368 HydrophobicContact CD2-CZ 4.3Å; W290-F368 AromaticContact CE3-CE2 3.78Å; W290-F368 HydrophobicContact CE3-CE2 3.78Å; W290-F368 HydrophobicContact CE3-CZ 4.43Å; W290-F368 HydrophobicContact CG-CE2 4.09Å; W290-F368 HydrophobicContact CZ3-CE2 4.42Å; P291-F368 HydrophobicContact CG-CD1 4Å; P291-F368 HydrophobicContact CG-CE1 4.08Å; P291-F368 HydrophobicContact CG-CG 4.32Å; P291-F368 HydrophobicContact CG-CZ 4.46Å; I338-F368 HydrophobicContact CG1-CE1 4.15Å; I338-F368 HydrophobicContact CG2-CZ 4.45Å; F339-F368 HydrophobicContact CB-CZ 4.4Å; A342-F368 HydrophobicContact CB-CD1 4.02Å; A342-F368 HydrophobicContact CB-CE1 3.66Å; R364-F368 PolarHBondContact O-N 2.96Å; M365-F368 PolarHBondContact O-N 3.44Å; M365-F368 HydrophobicContact SD-CD1 3.97Å; H366-F368 PolarHBondContact O-N 3.13Å; F368-V370 PolarHBondContact O-N 3.45Å; F368-V371 WeakPolarHBondContact O-CG1 3.28Å; F368-I372 HydrophobicContact CD1-CD1 4.07Å; F368-I372 HydrophobicContact CD2-CD1 4.24Å; F368-I372 HydrophobicContact CE1-CD1 3.64Å; F368-I372 HydrophobicContact CE2-CD1 3.83Å; F368-I372 HydrophobicContact CE2-CG1 4.47Å; F368-I372 HydrophobicContact CG-CD1 4.37Å; F368-I372 HydrophobicContact CZ-CD1 3.53Å; F368-I372 WeakPolarHBondContact O-CD1 3.35Å; F368-I372 VanDerWaalsContact O-CG1 3.27Å; F368-I372 WeakPolarHBondContact O-CG1 3.36Å; F368-I372 PolarHBondContact O-N 2.89Å
369C97.7Very high95.4Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-63.4-45.3-179.9-66.20000111.3P346 M365 H366 D367 Q373P346-C369 WeakPolarHBondContact O-CB 3.18Å; M365-C369 PolarHBondContact O-N 3.13Å; M365-C369 PolarHBondContact O-SG 3.29Å; H366-C369 PolarHBondContact O-N 3.26Å; D367-C369 PolarHBondContact O-N 3.34Å; C369-Q373 WeakPolarHBondContact O-CG 3.42Å
370V98.2Very high95.7Very high33 Ų3333 Ų3320%0.217%0.166CC..Hα-helixtrans-74-40.6-176.9174.90000112.1A229 V232 H366 D367 F368 I372 Q373 I374A229-V370 HydrophobicContact CB-CB 3.6Å; A229-V370 HydrophobicContact CB-CG1 3.95Å; A229-V370 HydrophobicContact CB-CG2 3.76Å; A229-V370 WeakPolarHBondContact O-CG1 3.46Å; V232-V370 HydrophobicContact CG1-CG1 3.74Å; H366-V370 WeakPolarHBondContact O-CG2 3.46Å; H366-V370 PolarHBondContact O-N 2.84Å; D367-V370 PolarHBondContact O-N 3.07Å; F368-V370 PolarHBondContact O-N 3.45Å; V370-I372 PolarHBondContact O-N 3.02Å; V370-Q373 PolarHBondContact O-N 3.43Å; V370-I374 PolarHBondContact O-N 3.46Å
371V98.4Very high96.1Very high0 Ų031.1 Ų31.10%015%0.148CC..Hα-helixtrans-61.2-33-179.975.60000111.4W109 L282 I285 L286 D367 F368 I374 T375W109-V371 HydrophobicContact CH2-CB 3.83Å; W109-V371 HydrophobicContact CH2-CG2 4.29Å; W109-V371 HydrophobicContact CZ3-CB 4.25Å; W109-V371 HydrophobicContact CZ3-CG2 4.2Å; L282-V371 HydrophobicContact CB-CG2 4.25Å; L282-V371 HydrophobicContact CD2-CG2 4.19Å; L282-V371 VanDerWaalsContact O-CG2 3.32Å; L282-V371 WeakPolarHBondContact O-CG2 3.38Å; I285-V371 HydrophobicContact CB-CG2 3.92Å; I285-V371 HydrophobicContact CG2-CB 3.87Å; I285-V371 HydrophobicContact CG2-CG1 4.13Å; I285-V371 HydrophobicContact CG2-CG2 3.84Å; L286-V371 HydrophobicContact CB-CG1 3.99Å; L286-V371 HydrophobicContact CB-CG2 4.36Å; L286-V371 HydrophobicContact CD1-CG1 3.9Å; D367-V371 WeakPolarHBondContact O-CB 3.42Å; D367-V371 VanDerWaalsContact O-CG1 3.31Å; D367-V371 WeakPolarHBondContact O-CG1 3.16Å; D367-V371 PolarHBondContact O-N 3.46Å; F368-V371 WeakPolarHBondContact O-CG1 3.28Å; V371-I374 WeakPolarHBondContact O-CG2 3.48Å; V371-T375 WeakPolarHBondContact O-CB 3.25Å; V371-T375 PolarHBondContact O-N 3.41Å; V371-T375 PolarHBondContact O-OG1 3.47Å
372I97.2Very high96.4Very high0 Ų035.5 Ų35.50%016%0.164CC..Hα-helixtrans-62.1-47.7172.9-69.9170.3000111.3L286 F339 A342 L343 F368 V370 T375 K376L286-I372 HydrophobicContact CD1-CD1 4.37Å; L286-I372 HydrophobicContact CD1-CG1 3.67Å; F339-I372 HydrophobicContact CD2-CD1 3.62Å; F339-I372 HydrophobicContact CD2-CG1 3.9Å; F339-I372 HydrophobicContact CE2-CB 4.43Å; F339-I372 HydrophobicContact CE2-CD1 3.91Å; F339-I372 HydrophobicContact CE2-CG1 3.69Å; F339-I372 HydrophobicContact CE2-CG2 3.99Å; F339-I372 HydrophobicContact CG-CD1 4.28Å; F339-I372 HydrophobicContact CZ-CG2 3.97Å; A342-I372 HydrophobicContact CB-CD1 3.81Å; L343-I372 HydrophobicContact CB-CG2 4.01Å; L343-I372 HydrophobicContact CD1-CG2 3.5Å; L343-I372 HydrophobicContact CG-CG2 4.35Å; F368-I372 HydrophobicContact CD1-CD1 4.07Å; F368-I372 HydrophobicContact CD2-CD1 4.24Å; F368-I372 HydrophobicContact CE1-CD1 3.64Å; F368-I372 HydrophobicContact CE2-CD1 3.83Å; F368-I372 HydrophobicContact CE2-CG1 4.47Å; F368-I372 HydrophobicContact CG-CD1 4.37Å; F368-I372 HydrophobicContact CZ-CD1 3.53Å; F368-I372 WeakPolarHBondContact O-CD1 3.35Å; F368-I372 VanDerWaalsContact O-CG1 3.27Å; F368-I372 WeakPolarHBondContact O-CG1 3.36Å; F368-I372 PolarHBondContact O-N 2.89Å; V370-I372 PolarHBondContact O-N 3.02Å; I372-T375 PolarHBondContact O-N 3.18Å; I372-K376 PolarHBondContact O-N 3.4Å
373Q97.4Very high96.7Very high49 Ų4933.6 Ų33.623%0.22916%0.158CC..Hα-helixtrans-64.5-49.5-177.7-58.5-55.7-47.500111.1L343 P346 C369 V370 T375 K376 E377L343-Q373 PolarHBondContact O-NE2 3.31Å; P346-Q373 HydrophobicContact CB-CG 4.11Å; P346-Q373 HydrophobicContact CG-CG 4.23Å; C369-Q373 WeakPolarHBondContact O-CG 3.42Å; V370-Q373 PolarHBondContact O-N 3.43Å; Q373-T375 VanDerWaalsContact C-N 3.3Å; Q373-T375 PolarHBondContact O-N 3.12Å; Q373-K376 WeakPolarHBondContact O-CB 3.45Å; Q373-K376 PolarHBondContact O-N 3.32Å; Q373-K376 VanDerWaalsContact O-N 3.16Å; Q373-E377 PolarHBondContact O-N 3.09Å
374I98Very high96.9Very high6 Ų632.2 Ų32.23%0.03115%0.149CC..Hα-helixtrans-67.1-33.1-179.8-162.464.5000111.7V232 W236 L282 V370 V371 E377 F378V232-I374 HydrophobicContact CG1-CB 4.39Å; V232-I374 HydrophobicContact CG1-CG1 4.38Å; V232-I374 HydrophobicContact CG1-CG2 4.27Å; V232-I374 HydrophobicContact CG2-CG1 4.33Å; V232-I374 HydrophobicContact CG2-CG2 4.46Å; W236-I374 HydrophobicContact CB-CD1 3.83Å; W236-I374 HydrophobicContact CB-CG1 4.37Å; W236-I374 HydrophobicContact CG-CD1 3.94Å; L282-I374 HydrophobicContact CD1-CG2 4.17Å; L282-I374 HydrophobicContact CD2-CG2 3.64Å; V370-I374 PolarHBondContact O-N 3.46Å; V371-I374 WeakPolarHBondContact O-CG2 3.48Å; I374-E377 PolarHBondContact O-N 3.13Å; I374-F378 VanDerWaalsContact O-CB 3.25Å; I374-F378 WeakPolarHBondContact O-CB 3.38Å; I374-F378 PolarHBondContact O-N 3.49Å
375T97.6Very high96.9Very high2 Ų231.4 Ų31.41%0.01215%0.15CC..Hα-helixtrans-65.6-42.4173.3-58.50000110.8F279 V371 I372 Q373 E377 F378 V379 W398F279-T375 HydrophobicContact CE2-CG2 3.91Å; V371-T375 WeakPolarHBondContact O-CB 3.25Å; V371-T375 PolarHBondContact O-N 3.41Å; V371-T375 PolarHBondContact O-OG1 3.47Å; I372-T375 PolarHBondContact O-N 3.18Å; Q373-T375 VanDerWaalsContact C-N 3.3Å; Q373-T375 PolarHBondContact O-N 3.12Å; T375-E377 VanDerWaalsContact C-N 3.34Å; T375-E377 PolarHBondContact O-N 2.94Å; T375-F378 PolarHBondContact O-N 2.98Å; T375-V379 HydrophobicContact CG2-CG1 4.11Å; T375-V379 WeakPolarHBondContact O-CG1 3.41Å; T375-V379 VanDerWaalsContact O-CG2 3.29Å; T375-V379 WeakPolarHBondContact O-CG2 3.41Å; T375-V379 PolarHBondContact O-N 3.28Å; T375-W398 HydrophobicContact CG2-CH2 3.67Å; T375-W398 HydrophobicContact CG2-CZ2 3.37Å; T375-W398 HydrophobicContact CG2-CZ3 4.37Å
376K96.3Very high96.9Very high59 Ų5933.7 Ų33.726%0.25717%0.165SC..Hα-helixtrans-58.9-45.8174.9-179.6171.8-178.5167.90111.3L343 I372 Q373 V379 H380 W398 L401L343-K376 HydrophobicContact CD1-CD 3.99Å; I372-K376 PolarHBondContact O-N 3.4Å; Q373-K376 WeakPolarHBondContact O-CB 3.45Å; Q373-K376 PolarHBondContact O-N 3.32Å; Q373-K376 VanDerWaalsContact O-N 3.16Å; K376-V379 WeakPolarHBondContact O-CG2 3.28Å; K376-H380 PolarHBondContact O-N 3.29Å; K376-H380 PolarHBondContact O-ND1 3.06Å; K376-W398 HydrophobicContact CB-CE3 4.31Å; K376-W398 HydrophobicContact CB-CZ3 4.04Å; K376-L401 VanDerWaalsContact CE-OXT 3.24Å; K376-L401 WeakPolarHBondContact CE-OXT 3.37Å; K376-L401 PolarHBondContact NZ-O 2.99Å; K376-L401 PolarHBondContact NZ-OXT 2.72Å
377E96.4Very high96.9Very high109 Ų10933.5 Ų33.551%0.50917%0.165SC..Hα-helixtrans-62.2-44.7176.3-69.8175-169.400111.5Q373 I374 T375 H380 H381Q373-E377 PolarHBondContact O-N 3.09Å; I374-E377 PolarHBondContact O-N 3.13Å; T375-E377 VanDerWaalsContact C-N 3.34Å; T375-E377 PolarHBondContact O-N 2.94Å; E377-H380 PolarHBondContact O-N 3.09Å; E377-H381 PolarHBondContact O-N 3.38Å
378F97.7Very high96.7Very high0 Ų040.1 Ų40.10%020%0.196CC..Hα-helixtrans-60.1-51.7179.8-179.1-88.1000112.3W236 F275 F278 F279 L282 I374 T375 H380 H381 V384 L389W236-F378 HydrophobicContact CD2-CD2 4.35Å; W236-F378 AromaticContact CE3-CD2 3.94Å; W236-F378 HydrophobicContact CE3-CD2 3.94Å; W236-F378 HydrophobicContact CE3-CE2 4.33Å; W236-F378 AromaticContact CH2-CD2 3.43Å; W236-F378 HydrophobicContact CH2-CD2 3.43Å; W236-F378 VanDerWaalsContact CH2-CD2 3.43Å; W236-F378 AromaticContact CH2-CE2 3.66Å; W236-F378 HydrophobicContact CH2-CE2 3.66Å; W236-F378 HydrophobicContact CH2-CG 4.49Å; W236-F378 AromaticContact CZ2-CD2 3.85Å; W236-F378 HydrophobicContact CZ2-CD2 3.85Å; W236-F378 HydrophobicContact CZ2-CE2 4.5Å; W236-F378 AromaticContact CZ3-CD2 3.49Å; W236-F378 HydrophobicContact CZ3-CD2 3.49Å; W236-F378 VanDerWaalsContact CZ3-CD2 3.49Å; W236-F378 AromaticContact CZ3-CE2 3.56Å; W236-F378 HydrophobicContact CZ3-CE2 3.56Å; F275-F378 HydrophobicContact CB-CE2 4.09Å; F275-F378 HydrophobicContact CB-CZ 4.01Å; F275-F378 HydrophobicContact CD2-CE2 4.37Å; F275-F378 HydrophobicContact CG-CE2 4.23Å; F275-F378 VanDerWaalsContact O-CZ 3.28Å; F275-F378 WeakPolarHBondContact O-CZ 3.21Å; F278-F378 AromaticContact CD1-CD2 3.75Å; F278-F378 HydrophobicContact CD1-CD2 3.75Å; F278-F378 AromaticContact CD1-CE2 3.8Å; F278-F378 HydrophobicContact CD1-CE2 3.8Å; F278-F378 HydrophobicContact CE1-CD2 4.03Å; F279-F378 HydrophobicContact CB-CD1 4.23Å; F279-F378 HydrophobicContact CB-CE1 3.47Å; F279-F378 VanDerWaalsContact CB-CE1 3.47Å; F279-F378 HydrophobicContact CB-CZ 3.63Å; F279-F378 AromaticContact CD1-CE1 3.83Å; F279-F378 HydrophobicContact CD1-CE1 3.83Å; F279-F378 AromaticContact CD2-CD1 3.83Å; F279-F378 HydrophobicContact CD2-CD1 3.83Å; F279-F378 AromaticContact CD2-CE1 3.84Å; F279-F378 HydrophobicContact CD2-CE1 3.84Å; F279-F378 HydrophobicContact CE2-CD1 4.34Å; F279-F378 AromaticContact CG-CD1 3.95Å; F279-F378 HydrophobicContact CG-CD1 3.95Å; F279-F378 AromaticContact CG-CE1 3.44Å; F279-F378 HydrophobicContact CG-CE1 3.44Å; F279-F378 VanDerWaalsContact CG-CE1 3.44Å; F279-F378 HydrophobicContact CG-CZ 4.15Å; L282-F378 HydrophobicContact CD1-CB 4.06Å; L282-F378 HydrophobicContact CD1-CG 4.18Å; I374-F378 VanDerWaalsContact O-CB 3.25Å; I374-F378 WeakPolarHBondContact O-CB 3.38Å; I374-F378 PolarHBondContact O-N 3.49Å; T375-F378 PolarHBondContact O-N 2.98Å; F378-H380 PolarHBondContact O-N 3.24Å; F378-H381 WeakPolarHBondContact O-CB 3.19Å; F378-H381 PolarHBondContact O-N 3.46Å; F378-V384 HydrophobicContact CD1-CG1 3.9Å; F378-V384 HydrophobicContact CD1-CG2 4.15Å; F378-V384 HydrophobicContact CD2-CG2 4.17Å; F378-V384 HydrophobicContact CE1-CB 4.29Å; F378-V384 HydrophobicContact CE1-CG1 3.49Å; F378-V384 VanDerWaalsContact CE1-CG1 3.49Å; F378-V384 HydrophobicContact CE1-CG2 3.73Å; F378-V384 HydrophobicContact CE2-CG2 3.77Å; F378-V384 HydrophobicContact CG-CG2 4.33Å; F378-V384 HydrophobicContact CZ-CB 4.49Å; F378-V384 HydrophobicContact CZ-CG1 4.09Å; F378-V384 HydrophobicContact CZ-CG2 3.52Å; F378-V384 WeakPolarHBondContact O-CB 3.28Å; F378-V384 WeakPolarHBondContact O-CG1 3.45Å; F378-V384 WeakPolarHBondContact O-CG2 3.48Å; F378-L389 HydrophobicContact CE1-CD1 4.48Å; F378-L389 HydrophobicContact CZ-CD1 4.01Å
379V96.7Very high96.7Very high1 Ų141.7 Ų41.71%0.00620%0.204CC..Hα-helixtrans-67.5-23.6-176.7-60.70000113.3F279 T375 K376 N385 C390 W398F279-V379 HydrophobicContact CE2-CG1 4.13Å; F279-V379 HydrophobicContact CZ-CG1 3.96Å; T375-V379 HydrophobicContact CG2-CG1 4.11Å; T375-V379 WeakPolarHBondContact O-CG1 3.41Å; T375-V379 VanDerWaalsContact O-CG2 3.29Å; T375-V379 WeakPolarHBondContact O-CG2 3.41Å; T375-V379 PolarHBondContact O-N 3.28Å; K376-V379 WeakPolarHBondContact O-CG2 3.28Å; V379-N385 PolarHBondContact O-ND2 3.11Å; V379-N385 PolarHBondContact O-OD1 3.2Å; V379-C390 HydrophobicContact CB-CB 4.47Å; V379-C390 HydrophobicContact CG1-CB 4.01Å; V379-W398 HydrophobicContact CB-CB 4.38Å; V379-W398 HydrophobicContact CB-CG 4.43Å; V379-W398 HydrophobicContact CG1-CG 4.29Å; V379-W398 HydrophobicContact CG2-CB 3.65Å; V379-W398 HydrophobicContact CG2-CD2 4.1Å; V379-W398 HydrophobicContact CG2-CE3 4.29Å; V379-W398 HydrophobicContact CG2-CG 3.82Å
380H95.4Very high96.5Very high87 Ų8742 Ų4240%0.40321%0.206SC..Hα-helixtrans-86.2-7174.4-71.591.9000113.3K376 E377 F378 Q382 W398K376-H380 PolarHBondContact O-N 3.29Å; K376-H380 PolarHBondContact O-ND1 3.06Å; E377-H380 PolarHBondContact O-N 3.09Å; F378-H380 PolarHBondContact O-N 3.24Å; H380-Q382 PolarHBondContact O-N 3.06Å; H380-W398 PolarHBondContact CE1-O 3.25Å
381H96.7Very high96.1Very high42 Ų4245 Ų4519%0.19422%0.221CC..SBendtrans-65.6135.4179.2-173.6-87000111.2W236 Q240 F275 E377 F378 I383 V384 N385W236-H381 HydrophobicContact CH2-CB 4.5Å; W236-H381 HydrophobicContact CZ2-CB 3.97Å; W236-H381 AromaticContact CZ2-CD2 3.76Å; W236-H381 AromaticContact CZ2-CG 3.84Å; Q240-H381 PolarHBondContact OE1-CD2 3.36Å; Q240-H381 VanDerWaalsContact OE1-CD2 3.3Å; Q240-H381 PolarHBondContact OE1-NE2 3.3Å; F275-H381 AromaticContact CE2-CE1 3.86Å; F275-H381 AromaticContact CE2-ND1 3.81Å; E377-H381 PolarHBondContact O-N 3.38Å; F378-H381 WeakPolarHBondContact O-CB 3.19Å; F378-H381 PolarHBondContact O-N 3.46Å; H381-I383 PolarHBondContact ND1-N 3.25Å; H381-I383 PolarHBondContact O-N 3.29Å; H381-V384 HydrophobicContact CB-CB 4.14Å; H381-V384 HydrophobicContact CB-CG2 3.86Å; H381-V384 WeakPolarHBondContact O-CB 3.38Å; H381-V384 PolarHBondContact O-N 3.46Å; H381-N385 PolarHBondContact O-N 3.24Å; H381-N385 VanDerWaalsContact O-N 3.09Å; H381-N385 PolarHBondContact O-ND2 3.31Å
382Q96.1Very high95.6Very high152 Ų15247.4 Ų47.471%0.7125%0.246SC*.Hα-helixtrans-55.2-49.3-173.7-178.2-179.8-8.500112.7H380 V384 N385 T386H380-Q382 PolarHBondContact O-N 3.06Å; Q382-V384 VanDerWaalsContact C-N 3.29Å; Q382-V384 PolarHBondContact O-N 3.42Å; Q382-N385 WeakPolarHBondContact O-CB 3.24Å; Q382-N385 PolarHBondContact O-N 3.16Å; Q382-T386 PolarHBondContact O-N 3.4Å; Q382-T386 PolarHBondContact O-OG1 3.27Å
383I96.8Very high95.1Very high17 Ų1751.8 Ų51.89%0.08727%0.273CS..Hα-helixtrans-66.6-32.1-179.7-56.3-60.2000112L243 F275 H381 N385 T386 L387L243-I383 HydrophobicContact CD2-CB 4.35Å; L243-I383 HydrophobicContact CD2-CG1 4.29Å; L243-I383 HydrophobicContact CD2-CG2 3.97Å; F275-I383 HydrophobicContact CD2-CG2 4.49Å; F275-I383 HydrophobicContact CE2-CB 4.21Å; F275-I383 HydrophobicContact CE2-CG2 4.3Å; H381-I383 PolarHBondContact ND1-N 3.25Å; H381-I383 PolarHBondContact O-N 3.29Å; I383-N385 VanDerWaalsContact C-N 3.31Å; I383-N385 PolarHBondContact O-N 3.41Å; I383-T386 PolarHBondContact O-N 3.13Å; I383-L387 HydrophobicContact CG2-CD1 3.73Å; I383-L387 HydrophobicContact CG2-CG 4.14Å; I383-L387 WeakPolarHBondContact O-CB 3.37Å; I383-L387 VanDerWaalsContact O-CG 3.28Å; I383-L387 WeakPolarHBondContact O-CG 3.44Å; I383-L387 PolarHBondContact O-N 3.34Å
384V96.9Very high94.8Very high1 Ų149.8 Ų49.81%0.00626%0.264CS..Hα-helixtrans-65.2-41177.3172.10000110.1W236 F275 F378 H381 Q382 L387 H388 L389W236-V384 HydrophobicContact CH2-CG2 4.36Å; F275-V384 HydrophobicContact CD2-CG2 3.62Å; F275-V384 HydrophobicContact CE2-CG2 4.04Å; F378-V384 HydrophobicContact CD1-CG1 3.9Å; F378-V384 HydrophobicContact CD1-CG2 4.15Å; F378-V384 HydrophobicContact CD2-CG2 4.17Å; F378-V384 HydrophobicContact CE1-CB 4.29Å; F378-V384 HydrophobicContact CE1-CG1 3.49Å; F378-V384 VanDerWaalsContact CE1-CG1 3.49Å; F378-V384 HydrophobicContact CE1-CG2 3.73Å; F378-V384 HydrophobicContact CE2-CG2 3.77Å; F378-V384 HydrophobicContact CG-CG2 4.33Å; F378-V384 HydrophobicContact CZ-CB 4.49Å; F378-V384 HydrophobicContact CZ-CG1 4.09Å; F378-V384 HydrophobicContact CZ-CG2 3.52Å; F378-V384 WeakPolarHBondContact O-CB 3.28Å; F378-V384 WeakPolarHBondContact O-CG1 3.45Å; F378-V384 WeakPolarHBondContact O-CG2 3.48Å; H381-V384 HydrophobicContact CB-CB 4.14Å; H381-V384 HydrophobicContact CB-CG2 3.86Å; H381-V384 WeakPolarHBondContact O-CB 3.38Å; H381-V384 PolarHBondContact O-N 3.46Å; Q382-V384 VanDerWaalsContact C-N 3.29Å; Q382-V384 PolarHBondContact O-N 3.42Å; V384-L387 PolarHBondContact O-N 3.41Å; V384-H388 PolarHBondContact O-N 2.91Å; V384-L389 HydrophobicContact CG1-CB 4.13Å; V384-L389 HydrophobicContact CG1-CD1 4.42Å; V384-L389 HydrophobicContact CG2-CD1 4.45Å; V384-L389 PolarHBondContact O-N 3.24Å
385N95Very high94.5Very high60 Ų6051.4 Ų51.432%0.32127%0.271SS..Hα-helixtrans-65.9-43.5173.8-74-51.3000112.3V379 H381 Q382 I383 L387 H388 Q395V379-N385 PolarHBondContact O-ND2 3.11Å; V379-N385 PolarHBondContact O-OD1 3.2Å; H381-N385 PolarHBondContact O-N 3.24Å; H381-N385 VanDerWaalsContact O-N 3.09Å; H381-N385 PolarHBondContact O-ND2 3.31Å; Q382-N385 WeakPolarHBondContact O-CB 3.24Å; Q382-N385 PolarHBondContact O-N 3.16Å; I383-N385 VanDerWaalsContact C-N 3.31Å; I383-N385 PolarHBondContact O-N 3.41Å; N385-L387 VanDerWaalsContact C-N 3.29Å; N385-L387 PolarHBondContact O-N 3.26Å; N385-H388 PolarHBondContact O-N 3.04Å; N385-H388 VanDerWaalsContact O-N 3.13Å; N385-H388 PolarHBondContact O-ND1 2.88Å; N385-Q395 PolarHBondContact OD1-NE2 3.25Å
386T94.8Very high94.1Very high61 Ų6155.3 Ų55.337%0.37430%0.299SS..Hα-helixtrans-59.2-40.4176-620000112.1Q382 I383 H388Q382-T386 PolarHBondContact O-N 3.4Å; Q382-T386 PolarHBondContact O-OG1 3.27Å; I383-T386 PolarHBondContact O-N 3.13Å; T386-H388 VanDerWaalsContact C-N 3.28Å; T386-H388 PolarHBondContact O-N 3.26Å
387L96.5Very high93.8Very high23 Ų2353.7 Ų53.712%0.1229%0.292CS..THydrogen-bonded Turntrans-81.6-2.3179.1-68.9172.5000113.7H260 E261 Q264 I383 V384 N385 L389H260-L387 HydrophobicContact CB-CD2 3.87Å; E261-L387 HydrophobicContact CG-CD2 3.86Å; Q264-L387 HydrophobicContact CG-CD1 3.59Å; Q264-L387 HydrophobicContact CG-CD2 4.44Å; I383-L387 HydrophobicContact CG2-CD1 3.73Å; I383-L387 HydrophobicContact CG2-CG 4.14Å; I383-L387 WeakPolarHBondContact O-CB 3.37Å; I383-L387 VanDerWaalsContact O-CG 3.28Å; I383-L387 WeakPolarHBondContact O-CG 3.44Å; I383-L387 PolarHBondContact O-N 3.34Å; V384-L387 PolarHBondContact O-N 3.41Å; N385-L387 VanDerWaalsContact C-N 3.29Å; N385-L387 PolarHBondContact O-N 3.26Å; L387-L389 HydrophobicContact CB-CD1 4.34Å; L387-L389 HydrophobicContact CB-CD2 3.97Å; L387-L389 HydrophobicContact CB-CG 3.74Å; L387-L389 HydrophobicContact CD1-CD1 4.24Å; L387-L389 HydrophobicContact CD1-CG 4.49Å; L387-L389 PolarHBondContact O-N 3.37Å; L387-L389 VanDerWaalsContact O-N 3.12Å
388H95.1Very high93.5Very high140 Ų14048.7 Ų48.765%0.64827%0.268SS*.THydrogen-bonded Turntrans50.635.1-177.5-58.4-62000114.4V384 N385 T386 C390V384-H388 PolarHBondContact O-N 2.91Å; N385-H388 PolarHBondContact O-N 3.04Å; N385-H388 VanDerWaalsContact O-N 3.13Å; N385-H388 PolarHBondContact O-ND1 2.88Å; T386-H388 VanDerWaalsContact C-N 3.28Å; T386-H388 PolarHBondContact O-N 3.26Å; H388-C390 VanDerWaalsContact C-N 3.26Å; H388-C390 PolarHBondContact O-N 3.25Å
389L95.9Very high93.1Very high33 Ų3352 Ų5217%0.17329%0.291CS..  trans-68.2-26.7-175.9-59.5-179.2000112.9F275 K276 F279 F378 V384 L387F275-L389 HydrophobicContact CB-CD1 3.6Å; K276-L389 HydrophobicContact CB-CD2 4.12Å; F279-L389 HydrophobicContact CD1-CB 4.3Å; F279-L389 VanDerWaalsContact CE1-O 3.31Å; F279-L389 WeakPolarHBondContact CE1-O 3.31Å; F378-L389 HydrophobicContact CE1-CD1 4.48Å; F378-L389 HydrophobicContact CZ-CD1 4.01Å; V384-L389 HydrophobicContact CG1-CB 4.13Å; V384-L389 HydrophobicContact CG1-CD1 4.42Å; V384-L389 HydrophobicContact CG2-CD1 4.45Å; V384-L389 PolarHBondContact O-N 3.24Å; L387-L389 HydrophobicContact CB-CD1 4.34Å; L387-L389 HydrophobicContact CB-CD2 3.97Å; L387-L389 HydrophobicContact CB-CG 3.74Å; L387-L389 HydrophobicContact CD1-CD1 4.24Å; L387-L389 HydrophobicContact CD1-CG 4.49Å; L387-L389 PolarHBondContact O-N 3.37Å; L387-L389 VanDerWaalsContact O-N 3.12Å
390C94.5Very high92.6Very high8 Ų856.2 Ų56.25%0.05432%0.321CS..SBendtrans-111.2129.3167.8-172.40000107.9F279 V379 H388 Q395F279-C390 HydrophobicContact CE1-CB 3.74Å; F279-C390 HydrophobicContact CZ-CB 4Å; V379-C390 HydrophobicContact CB-CB 4.47Å; V379-C390 HydrophobicContact CG1-CB 4.01Å; H388-C390 VanDerWaalsContact C-N 3.26Å; H388-C390 PolarHBondContact O-N 3.25Å; C390-Q395 PolarHBondContact O-OE1 2.88Å; C390-Q395 PolarHBondContact SG-OE1 3.46Å; C390-Q395 VanDerWaalsContact SG-OE1 3.37Å
391N89Confident92.2Very high94 Ų9455 Ų5550%0.50332%0.317SS..  trans-146176.1-174.260.950.8000111.6L394 Q395N391-L394 PolarHBondContact O-N 2.87Å; N391-Q395 PolarHBondContact O-N 3.21Å; N391-Q395 VanDerWaalsContact O-N 3.15Å
392G87.8Confident91.9Very high52 Ų5255.7 Ų55.754%0.53632%0.323SS..Hα-helixtrans58.5-140.6175.400000114.3L394 Q395 S396G392-L394 VanDerWaalsContact C-N 3.27Å; G392-L394 PolarHBondContact O-N 2.89Å; G392-Q395 PolarHBondContact O-N 3.29Å; G392-S396 PolarHBondContact O-N 3.42Å; G392-S396 VanDerWaalsContact O-N 3.13Å; G392-S396 PolarHBondContact O-OG 3.28Å
393V87.7Confident91.7Very high92 Ų9250.6 Ų50.656%0.55830%0.303SS*.Hα-helixtrans-58.3-39.9-177.9178.90000111.4T329 S396 F397T329-V393 HydrophobicContact CG2-CB 4.42Å; T329-V393 HydrophobicContact CG2-CG1 3.99Å; V393-S396 PolarHBondContact O-N 2.76Å; V393-F397 VanDerWaalsContact O-CB 3.28Å; V393-F397 WeakPolarHBondContact O-CB 3.47Å; V393-F397 PolarHBondContact O-N 3.14Å
394L90.5Very high91.4Very high6 Ų652.4 Ų52.43%0.03132%0.315CS..Hα-helixtrans-66.1-43.7179.1-66.3-178.4000111.8D325 L328 I332 N391 G392 S396 F397 W398D325-L394 HydrophobicContact CB-CD1 3.79Å; D325-L394 WeakPolarHBondContact OD1-CD1 3.46Å; L328-L394 HydrophobicContact CB-CD1 4.29Å; L328-L394 HydrophobicContact CB-CD2 4.07Å; L328-L394 HydrophobicContact CD1-CD1 4.36Å; I332-L394 HydrophobicContact CD1-CD2 3.54Å; N391-L394 PolarHBondContact O-N 2.87Å; G392-L394 VanDerWaalsContact C-N 3.27Å; G392-L394 PolarHBondContact O-N 2.89Å; L394-S396 PolarHBondContact O-N 2.66Å; L394-F397 WeakPolarHBondContact O-CB 3.49Å; L394-F397 PolarHBondContact O-N 3.08Å; L394-W398 PolarHBondContact O-N 3.39Å
395Q90.8Very high91.1Very high40 Ų4055.5 Ų55.519%0.18733%0.333CS..Hα-helixtrans-61.3-45.2176.5-178.162.328.100111.5N385 C390 N391 G392 F397 W398 S399N385-Q395 PolarHBondContact OD1-NE2 3.25Å; C390-Q395 PolarHBondContact O-OE1 2.88Å; C390-Q395 PolarHBondContact SG-OE1 3.46Å; C390-Q395 VanDerWaalsContact SG-OE1 3.37Å; N391-Q395 PolarHBondContact O-N 3.21Å; N391-Q395 VanDerWaalsContact O-N 3.15Å; G392-Q395 PolarHBondContact O-N 3.29Å; Q395-F397 VanDerWaalsContact C-N 3.3Å; Q395-F397 PolarHBondContact O-N 3.06Å; Q395-W398 PolarHBondContact O-N 3.2Å; Q395-S399 PolarHBondContact NE2-OG 3.39Å; Q395-S399 VanDerWaalsContact NE2-OG 3.16Å; Q395-S399 VanDerWaalsContact O-CB 3.28Å; Q395-S399 WeakPolarHBondContact O-CB 3.31Å; Q395-S399 PolarHBondContact O-N 3.18Å; Q395-S399 PolarHBondContact O-OG 3.49Å
396S89.1Confident90.9Very high85 Ų8555.2 Ų55.259%0.59433%0.333SS*.Hα-helixtrans-61.6-41176.6-61.10000111.9G392 V393 L394 S400G392-S396 PolarHBondContact O-N 3.42Å; G392-S396 VanDerWaalsContact O-N 3.13Å; G392-S396 PolarHBondContact O-OG 3.28Å; V393-S396 PolarHBondContact O-N 2.76Å; L394-S396 PolarHBondContact O-N 2.66Å; S396-S400 PolarHBondContact O-N 3.33Å
397F91Very high90.6Very high25 Ų2554.8 Ų54.811%0.1133%0.331CS..Hα-helixtrans-59.4-55.6175.1173.5-104.8000111.4I332 L336 F339 V393 L394 Q395 S399 S400 L401I332-F397 HydrophobicContact CD1-CD1 3.73Å; I332-F397 HydrophobicContact CD1-CE1 3.66Å; I332-F397 HydrophobicContact CD1-CG 4.23Å; I332-F397 HydrophobicContact CD1-CZ 4.13Å; I332-F397 HydrophobicContact CG1-CE1 4.11Å; I332-F397 HydrophobicContact CG1-CZ 4.1Å; I332-F397 HydrophobicContact CG2-CD2 3.76Å; I332-F397 HydrophobicContact CG2-CE1 4.44Å; I332-F397 HydrophobicContact CG2-CE2 3.54Å; I332-F397 HydrophobicContact CG2-CG 4.3Å; I332-F397 HydrophobicContact CG2-CZ 3.88Å; L336-F397 HydrophobicContact CD1-CE2 3.53Å; L336-F397 HydrophobicContact CD1-CZ 3.79Å; F339-F397 HydrophobicContact CD1-CE1 4.29Å; F339-F397 AromaticContact CD1-CZ 3.66Å; F339-F397 HydrophobicContact CD1-CZ 3.66Å; F339-F397 AromaticContact CE1-CE1 3.58Å; F339-F397 HydrophobicContact CE1-CE1 3.58Å; F339-F397 HydrophobicContact CE1-CE2 4.49Å; F339-F397 AromaticContact CE1-CZ 3.3Å; F339-F397 HydrophobicContact CE1-CZ 3.3Å; F339-F397 HydrophobicContact CE2-CE1 4.22Å; F339-F397 HydrophobicContact CE2-CZ 4.49Å; F339-F397 HydrophobicContact CG-CZ 4.43Å; F339-F397 AromaticContact CZ-CE1 3.53Å; F339-F397 HydrophobicContact CZ-CE1 3.53Å; F339-F397 AromaticContact CZ-CZ 3.77Å; F339-F397 HydrophobicContact CZ-CZ 3.77Å; V393-F397 VanDerWaalsContact O-CB 3.28Å; V393-F397 WeakPolarHBondContact O-CB 3.47Å; V393-F397 PolarHBondContact O-N 3.14Å; L394-F397 WeakPolarHBondContact O-CB 3.49Å; L394-F397 PolarHBondContact O-N 3.08Å; Q395-F397 VanDerWaalsContact C-N 3.3Å; Q395-F397 PolarHBondContact O-N 3.06Å; F397-S399 VanDerWaalsContact C-N 3.33Å; F397-S399 PolarHBondContact O-N 2.98Å; F397-S400 WeakPolarHBondContact O-CB 3.47Å; F397-S400 PolarHBondContact O-N 2.69Å; F397-S400 VanDerWaalsContact O-N 3.11Å; F397-S400 PolarHBondContact O-OG 3.11Å; F397-L401 HydrophobicContact CD1-CD1 4.13Å; F397-L401 HydrophobicContact CE1-CD1 3.7Å; F397-L401 HydrophobicContact CE2-CD1 4.29Å; F397-L401 HydrophobicContact CZ-CD1 3.81Å; F397-L401 WeakPolarHBondContact O-CG 3.48Å
398W90.7Very high90.2Very high4 Ų457.1 Ų57.12%0.01535%0.346CS..Hα-helixtrans-63.4-37.2-179.2-72.1114.5000113.2L286 F339 T375 K376 V379 H380 L394 Q395 S400 L401L286-W398 HydrophobicContact CD2-CH2 4.49Å; L286-W398 HydrophobicContact CD2-CZ2 4.04Å; F339-W398 AromaticContact CE2-CH2 3.67Å; F339-W398 HydrophobicContact CE2-CH2 3.67Å; F339-W398 HydrophobicContact CE2-CZ2 4.2Å; F339-W398 HydrophobicContact CE2-CZ3 4.31Å; F339-W398 HydrophobicContact CZ-CE3 4.43Å; F339-W398 AromaticContact CZ-CH2 3.44Å; F339-W398 HydrophobicContact CZ-CH2 3.44Å; F339-W398 VanDerWaalsContact CZ-CH2 3.44Å; F339-W398 HydrophobicContact CZ-CZ2 4.13Å; F339-W398 AromaticContact CZ-CZ3 3.62Å; F339-W398 HydrophobicContact CZ-CZ3 3.62Å; T375-W398 HydrophobicContact CG2-CH2 3.67Å; T375-W398 HydrophobicContact CG2-CZ2 3.37Å; T375-W398 HydrophobicContact CG2-CZ3 4.37Å; K376-W398 HydrophobicContact CB-CE3 4.31Å; K376-W398 HydrophobicContact CB-CZ3 4.04Å; V379-W398 HydrophobicContact CB-CB 4.38Å; V379-W398 HydrophobicContact CB-CG 4.43Å; V379-W398 HydrophobicContact CG1-CG 4.29Å; V379-W398 HydrophobicContact CG2-CB 3.65Å; V379-W398 HydrophobicContact CG2-CD2 4.1Å; V379-W398 HydrophobicContact CG2-CE3 4.29Å; V379-W398 HydrophobicContact CG2-CG 3.82Å; H380-W398 PolarHBondContact CE1-O 3.25Å; L394-W398 PolarHBondContact O-N 3.39Å; Q395-W398 PolarHBondContact O-N 3.2Å; W398-S400 PolarHBondContact O-N 2.71Å; W398-L401 HydrophobicContact CE3-CD1 4Å; W398-L401 HydrophobicContact CZ3-CD1 4.39Å; W398-L401 PolarHBondContact O-N 3.06Å
399S87.2Confident89.8Confident68 Ų6850.7 Ų50.748%0.47632%0.322SS..Hα-helixtrans-67.1-20.8177.2-54.80000113Q395 F397 L401Q395-S399 PolarHBondContact NE2-OG 3.39Å; Q395-S399 VanDerWaalsContact NE2-OG 3.16Å; Q395-S399 VanDerWaalsContact O-CB 3.28Å; Q395-S399 WeakPolarHBondContact O-CB 3.31Å; Q395-S399 PolarHBondContact O-N 3.18Å; Q395-S399 PolarHBondContact O-OG 3.49Å; F397-S399 VanDerWaalsContact C-N 3.33Å; F397-S399 PolarHBondContact O-N 2.98Å; S399-L401 VanDerWaalsContact C-N 3.32Å
400S87Confident89.3Confident91 Ų9152.2 Ų52.264%0.63634%0.335SS*.THydrogen-bonded Turntrans-83.1-7.1178.576.70000114.1S396 F397 W398S396-S400 PolarHBondContact O-N 3.33Å; F397-S400 WeakPolarHBondContact O-CB 3.47Å; F397-S400 PolarHBondContact O-N 2.69Å; F397-S400 VanDerWaalsContact O-N 3.11Å; F397-S400 PolarHBondContact O-OG 3.11Å; W398-S400 PolarHBondContact O-N 2.71Å
401L86.6Confident88.9Confident61 Ų6156.2 Ų56.232%0.31936%0.36SS..  trans-109.10-171.2-64.7173.6000112.8F339 L343 K376 F397 W398 S399F339-L401 HydrophobicContact CE1-CD1 3.68Å; F339-L401 HydrophobicContact CZ-CD1 4.09Å; L343-L401 HydrophobicContact CD2-CB 4.03Å; L343-L401 HydrophobicContact CD2-CD1 3.84Å; L343-L401 HydrophobicContact CD2-CD2 3.73Å; L343-L401 HydrophobicContact CD2-CG 4.08Å; K376-L401 VanDerWaalsContact CE-OXT 3.24Å; K376-L401 WeakPolarHBondContact CE-OXT 3.37Å; K376-L401 PolarHBondContact NZ-O 2.99Å; K376-L401 PolarHBondContact NZ-OXT 2.72Å; F397-L401 HydrophobicContact CD1-CD1 4.13Å; F397-L401 HydrophobicContact CE1-CD1 3.7Å; F397-L401 HydrophobicContact CE2-CD1 4.29Å; F397-L401 HydrophobicContact CZ-CD1 3.81Å; F397-L401 WeakPolarHBondContact O-CG 3.48Å; W398-L401 HydrophobicContact CE3-CD1 4Å; W398-L401 HydrophobicContact CZ3-CD1 4.39Å; W398-L401 PolarHBondContact O-N 3.06Å; S399-L401 VanDerWaalsContact C-N 3.32Å

Retrieved 401 of 401 residues in 223.9 ms (Link to these results)

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