A0A3P9NK88_POERE Loading...

Histone deacetylase complex subunit SAP18

Involved in the tethering of the SIN3 complex to core histone proteins.

AlphaFold DB , UniProt , Accession A0A3P9NK88, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 153 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low51.1Low245 Ų245158.5 Ų158.5100%1.20781%0.811SS**  0105.90-76.2178.8-120.300107.3
2A43.7Very low51.8Low101 Ų101156 Ų15684%0.83580%0.798SS**  trans-83.3122.5176.500000108.5E4A2-E4 PolarHBondContact O-N 2.76Å
3L46.1Very low51.8Low173 Ų173159.1 Ų159.191%0.90680%0.802SS**  trans-72.8106169.2-114.495.4000107.5S5L3-S5 PolarHBondContact O-N 3.42Å
4E48.2Very low52.4Low156 Ų156157.1 Ų157.173%0.72979%0.786SS**  trans-70.7108.5165.7-70.6-175.9160.500108.7A2 R6A2-E4 PolarHBondContact O-N 2.76Å; E4-R6 PolarHBondContact O-N 3.22Å; E4-R6 VanDerWaalsContact O-N 3.1Å
5S54.3Low53.3Low108 Ų108156.5 Ų156.576%0.75578%0.779SS**  trans-71.598.1170.446.50000109.6L3 I7L3-S5 PolarHBondContact O-N 3.42Å; S5-I7 PolarHBondContact O-N 3.28Å; S5-I7 VanDerWaalsContact O-N 3.15Å
6R60.6Low54.2Low216 Ų216153.9 Ų153.982%0.81578%0.777SS**  trans-79.791.3168.4-67.3-179-175.41741.7108.8E4 T8E4-R6 PolarHBondContact O-N 3.22Å; E4-R6 VanDerWaalsContact O-N 3.1Å; R6-T8 PolarHBondContact O-N 2.97Å
7I57Low55.3Low131 Ų131148.7 Ų148.767%0.67275%0.75SS**  trans-66.2117.1167.5-59.9173.4000107S5S5-I7 PolarHBondContact O-N 3.28Å; S5-I7 VanDerWaalsContact O-N 3.15Å
8T56.3Low56.8Low89 Ų89149.3 Ų149.355%0.54675%0.747SS.*  trans-67138.9171.947.20000108.7R6 E10 E11R6-T8 PolarHBondContact O-N 2.97Å; T8-E10 PolarHBondContact O-N 3.33Å; T8-E11 PolarHBondContact O-N 3.02Å
9Q55Low58.4Low181 Ų181147.6 Ų147.685%0.84675%0.747SS**G310 helixtrans-58.9-10-175.2-72.3179.1-36.900114.5
10E52.9Low60.1Low188 Ų188142.5 Ų142.588%0.87972%0.721SS**G310 helixtrans-77.7-18.5-177.9-66.6-171.3145.700114.2T8T8-E10 PolarHBondContact O-N 3.33Å
11E49.6Very low61.7Low156 Ų156138.8 Ų138.873%0.72970%0.703SS**G310 helixtrans-105.116.5-177.1-79.8-169.5155.500115.1T8 K13T8-E11 PolarHBondContact O-N 3.02Å; E11-K13 VanDerWaalsContact C-N 3.31Å; E11-K13 PolarHBondContact O-N 2.75Å
12I59.6Low64.4Low128 Ų128130.9 Ų130.966%0.65666%0.66SS**  trans-69.895.5168.1-55.7172.6000107K14I12-K14 PolarHBondContact O-N 3.1Å
13K52Low66.8Low196 Ų196134.9 Ų134.985%0.85266%0.662SS**  trans-47.9103.8164.2-82179.9175.9176.20107.1E11 E15E11-K13 VanDerWaalsContact C-N 3.31Å; E11-K13 PolarHBondContact O-N 2.75Å; K13-E15 PolarHBondContact O-N 2.93Å
14K60.2Low69.1Low132 Ų132134.7 Ų134.757%0.57465%0.654SS**  trans-63.6105.6177.7-150.5-170.7-171.6-153.50105.6I12 E17I12-K14 PolarHBondContact O-N 3.1Å; K14-E17 IonicContact NZ-OE1 2.82Å; K14-E17 PolarHBondContact NZ-OE1 3.25Å
15E65.2Low71.4Confident148 Ų148130.2 Ų130.269%0.69264%0.637SS**PPolyproline II helixtrans-53.4141.8174.8-72-170.4165.300108.8K13 E17K13-E15 PolarHBondContact O-N 2.93Å; E15-E17 PolarHBondContact O-N 3.23Å; E15-E17 VanDerWaalsContact O-N 3.15Å
16P68.8Low73.4Confident115 Ų115130.5 Ų130.575%0.74764%0.637SS**PPolyproline II helixtrans-55.7125.9178.322.8-31.8000109K18P16-K18 PolarHBondContact O-N 3.13Å; P16-K18 VanDerWaalsContact O-N 3.1Å
17E72.4Confident75.1Confident65 Ų65122.6 Ų122.630%0.30461%0.614SS.*PPolyproline II helixtrans-58.7117.7179.7-72.2173.5-16800108.7K14 E15 T121 Q123 S124K14-E17 IonicContact NZ-OE1 2.82Å; K14-E17 PolarHBondContact NZ-OE1 3.25Å; E15-E17 PolarHBondContact O-N 3.23Å; E15-E17 VanDerWaalsContact O-N 3.15Å; E17-T121 PolarHBondContact OE2-OG1 2.8Å; E17-Q123 HydrophobicContact CG-CG 4.35Å; E17-S124 VanDerWaalsContact OE1-CA 3.26Å; E17-S124 WeakPolarHBondContact OE1-CA 3.46Å; E17-S124 WeakPolarHBondContact OE2-CA 3.42Å; E17-S124 PolarHBondContact OE2-N 2.72Å; E17-S124 VanDerWaalsContact OE2-N 3.14Å
18K82Confident77Confident160 Ų160117.2 Ų117.270%0.69659%0.587SS**PPolyproline II helixtrans-72.4136.3-179-66.3177.7-175.5171.30109.1P16P16-K18 PolarHBondContact O-N 3.13Å; P16-K18 VanDerWaalsContact O-N 3.1Å
19P87.5Confident79Confident117 Ų117116.9 Ų116.976%0.7658%0.581SS**PPolyproline II helixtrans-60.8146.8174.624.9-32.3000110.7
20I92Very high81Confident44 Ų44108.3 Ų108.323%0.22654%0.541CS..PPolyproline II helixtrans-87.7133.6-177.7-65.7176.6000109.1R22 T25 W61 M62 D63I20-R22 PolarHBondContact O-N 3.34Å; I20-T25 HydrophobicContact CG2-CG2 3.92Å; I20-W61 HydrophobicContact CD1-CB 4.31Å; I20-W61 HydrophobicContact CG2-CB 4.49Å; I20-W61 HydrophobicContact CG2-CG 4.38Å; I20-M62 HydrophobicContact CD1-CB 3.72Å; I20-D63 HydrophobicContact CB-CB 4.5Å; I20-D63 HydrophobicContact CD1-CB 4.21Å; I20-D63 HydrophobicContact CG1-CB 4.22Å; I20-D63 PolarHBondContact N-OD2 3.15Å; I20-D63 VanDerWaalsContact N-OD2 3.13Å
21D93.9Very high83.1Confident65 Ų65102.4 Ų102.435%0.34851%0.511SS..  trans-73.494.4169.3-173.7-18.8000108.9E23 K24 T25D21-E23 PolarHBondContact O-N 3.15Å; D21-E23 PolarHBondContact OD1-N 3.1Å; D21-K24 PolarHBondContact O-N 2.82Å; D21-K24 PolarHBondContact OD1-N 2.94Å; D21-K24 WeakPolarHBondContact OD2-CD 3.21Å; D21-K24 WeakPolarHBondContact OD2-CE 3.36Å; D21-K24 IonicContact OD2-NZ 2.76Å; D21-K24 PolarHBondContact OD2-NZ 2.84Å; D21-T25 WeakPolarHBondContact O-CB 3.21Å; D21-T25 PolarHBondContact O-N 3.3Å; D21-T25 PolarHBondContact O-OG1 2.82Å
22R95.1Very high85.4Confident79 Ų7995 Ų9530%0.29848%0.476SS..THydrogen-bonded Turntrans-68.9-16.6-175.6-63.7-174.4174.1-165.82.1113.6I20 W61 D63 E68I20-R22 PolarHBondContact O-N 3.34Å; R22-W61 HydrophobicContact CB-CD2 4.03Å; R22-W61 HydrophobicContact CB-CE3 4.33Å; R22-W61 HydrophobicContact CB-CH2 4.04Å; R22-W61 HydrophobicContact CB-CZ2 3.71Å; R22-W61 HydrophobicContact CB-CZ3 4.34Å; R22-W61 VanDerWaalsContact CD-CE3 3.41Å; R22-W61 HydrophobicContact CG-CD2 3.57Å; R22-W61 HydrophobicContact CG-CE3 3.81Å; R22-W61 HydrophobicContact CG-CG 3.92Å; R22-W61 HydrophobicContact CG-CH2 4.42Å; R22-W61 HydrophobicContact CG-CZ2 4.21Å; R22-W61 HydrophobicContact CG-CZ3 4.24Å; R22-W61 WeakPolarHBondContact O-CZ2 3.35Å; R22-D63 IonicContact CZ-OD1 3.56Å; R22-D63 IonicContact NE-OD1 2.72Å; R22-D63 PolarHBondContact NE-OD1 3.17Å; R22-D63 VanDerWaalsContact NE-OD1 3.1Å; R22-D63 IonicContact NE-OD2 2.94Å; R22-D63 IonicContact NH2-OD1 3.48Å; R22-D63 PolarHBondContact NH2-OD1 3.26Å; R22-E68 IonicContact CZ-OE1 3.61Å; R22-E68 IonicContact CZ-OE2 3.78Å; R22-E68 IonicContact NH1-OE1 2.72Å; R22-E68 PolarHBondContact NH1-OE1 3.14Å; R22-E68 IonicContact NH1-OE2 3.61Å; R22-E68 IonicContact NH2-OE1 3.54Å; R22-E68 PolarHBondContact NH2-OE1 2.91Å; R22-E68 IonicContact NH2-OE2 3.36Å; R22-E68 PolarHBondContact NH2-OE2 3.28Å
23E94.4Very high87.1Confident186 Ų18688.9 Ų88.987%0.86945%0.445SS*.THydrogen-bonded Turntrans-79.2-31175.5-63.8-175.8170.400111.8D21D21-E23 PolarHBondContact O-N 3.15Å; D21-E23 PolarHBondContact OD1-N 3.1Å
24K95.1Very high89.2Confident169 Ų16979.7 Ų79.774%0.73541%0.405SS*.THydrogen-bonded Turntrans-101.9-14.9-178.1-61.5-174.2-166.1121.40114D21D21-K24 PolarHBondContact O-N 2.82Å; D21-K24 PolarHBondContact OD1-N 2.94Å; D21-K24 WeakPolarHBondContact OD2-CD 3.21Å; D21-K24 WeakPolarHBondContact OD2-CE 3.36Å; D21-K24 IonicContact OD2-NZ 2.76Å; D21-K24 PolarHBondContact OD2-NZ 2.84Å
25T94.8Very high90.8Very high62 Ų6274 Ų7438%0.3838%0.381SS..SBendtrans-104.1124.4-177.3-49.90000109.7I20 D21 W61I20-T25 HydrophobicContact CG2-CG2 3.92Å; D21-T25 WeakPolarHBondContact O-CB 3.21Å; D21-T25 PolarHBondContact O-N 3.3Å; D21-T25 PolarHBondContact O-OG1 2.82Å; T25-W61 PolarHBondContact O-NE1 3.1Å
26C96.3Very high91.9Very high113 Ų11372.3 Ų72.376%0.76438%0.377SS*.PPolyproline II helixtrans-62.9132.9174.8-169.70000110.4
27P97.1Very high92.6Very high51 Ų5170.1 Ų70.133%0.33136%0.364SS..PPolyproline II helixtrans-66.5152176.827.9-34.8000111.6T60 W61P27-T60 CarbonylContact C-O 3.57Å; P27-T60 WeakPolarHBondContact CA-O 3.31Å; P27-T60 VanDerWaalsContact CB-O 3.31Å; P27-T60 WeakPolarHBondContact CB-O 3.44Å; P27-W61 HydrophobicContact CB-CD2 4.3Å; P27-W61 HydrophobicContact CB-CH2 4.29Å; P27-W61 HydrophobicContact CB-CZ2 3.88Å; P27-W61 HydrophobicContact CG-CZ2 4.28Å
28L96.9Very high93.2Very high18 Ų1867.3 Ų67.39%0.09435%0.353CS..EExtended strand (participates in β ladder)trans-88.1151.2168.666.988.5000110.6L30 Y59 T60 M62 F127 I129L28-L30 HydrophobicContact CD1-CB 3.82Å; L28-Y59 WeakPolarHBondContact O-CA 3.31Å; L28-T60 HydrophobicContact CD1-CG2 4.13Å; L28-T60 WeakPolarHBondContact CG-O 3.41Å; L28-T60 PolarHBondContact N-O 3.15Å; L28-T60 PolarHBondContact O-N 3.27Å; L28-M62 HydrophobicContact CD2-CG 3.89Å; L28-M62 HydrophobicContact CD2-SD 3.49Å; L28-M62 WeakPolarHBondContact CD2-SD 3.39Å; L28-F127 HydrophobicContact CD1-CE1 4.37Å; L28-I129 HydrophobicContact CB-CD1 4.46Å; L28-I129 HydrophobicContact CB-CG1 4.5Å; L28-I129 HydrophobicContact CD2-CG1 4.32Å
29L97.6Very high93.6Very high81 Ų8168.9 Ų68.942%0.42436%0.355SS..EExtended strand (participates in β ladder)trans-84.8109.2169-178.868.3000109.2Q57 Y59L29-Q57 HydrophobicContact CD1-CB 4Å; L29-Q57 HydrophobicContact CD1-CG 4.41Å; L29-Y59 HydrophobicContact CB-CE1 4.29Å; L29-Y59 HydrophobicContact CD1-CD1 4.09Å; L29-Y59 HydrophobicContact CD1-CE1 3.64Å
30L97.6Very high94Very high1 Ų164.7 Ų64.71%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-94.9121.9174.7-179.366.9000109.6L28 V32 I58 T60 L69 L122 F127 L133L28-L30 HydrophobicContact CD1-CB 3.82Å; L30-V32 HydrophobicContact CD2-CG2 3.83Å; L30-V32 HydrophobicContact CG-CG2 3.78Å; L30-I58 HydrophobicContact CB-CB 4.36Å; L30-I58 WeakPolarHBondContact CB-O 3.49Å; L30-I58 PolarHBondContact N-O 3.01Å; L30-I58 PolarHBondContact O-N 2.89Å; L30-T60 HydrophobicContact CB-CG2 4Å; L30-T60 HydrophobicContact CD2-CG2 4Å; L30-L69 HydrophobicContact CD2-CD1 4.38Å; L30-L69 HydrophobicContact CD2-CD2 3.69Å; L30-L122 HydrophobicContact CD1-CD1 4.47Å; L30-L122 HydrophobicContact CD2-CD1 4.13Å; L30-F127 HydrophobicContact CD1-CE1 4.12Å; L30-F127 HydrophobicContact CD1-CE2 3.68Å; L30-F127 HydrophobicContact CD1-CZ 3.35Å; L30-L133 HydrophobicContact CD1-CB 4.15Å; L30-L133 HydrophobicContact CD2-CD2 4.09Å
31R97.4Very high94.1Very high65 Ų6563.8 Ų63.825%0.24532%0.319CS..EExtended strand (participates in β ladder)trans-93.9117.9173-62.317770.7-159.91.2109.1F33 E55 Y132 L133R31-F33 HydrophobicContact CB-CE2 4.29Å; R31-E55 IonicContact CZ-OE1 3.49Å; R31-E55 IonicContact CZ-OE2 3.68Å; R31-E55 IonicContact NE-OE1 3.46Å; R31-E55 PolarHBondContact NE-OE1 3.42Å; R31-E55 IonicContact NE-OE2 3.56Å; R31-E55 PolarHBondContact NE-OE2 2.94Å; R31-E55 IonicContact NH2-OE1 2.7Å; R31-E55 IonicContact NH2-OE2 2.67Å; R31-E55 PolarHBondContact NH2-OE2 3.09Å; R31-Y132 HydrophobicContact CB-CD1 4.13Å; R31-Y132 PolarHBondContact NH1-OH 3.18Å; R31-L133 PolarHBondContact O-N 3.36Å
32V97.2Very high94Very high0 Ų068.5 Ų68.50%033%0.332CS..EExtended strand (participates in β ladder)trans-114.4127.5-176-174.90000109.3L30 T34 E55 L56 I58 L133 I135L30-V32 HydrophobicContact CD2-CG2 3.83Å; L30-V32 HydrophobicContact CG-CG2 3.78Å; V32-T34 HydrophobicContact CG1-CG2 4.44Å; V32-E55 CarbonylContact O-C 3.58Å; V32-E55 WeakPolarHBondContact O-CA 3.44Å; V32-L56 HydrophobicContact CB-CB 4.27Å; V32-L56 WeakPolarHBondContact CB-O 3.34Å; V32-L56 PolarHBondContact N-O 2.88Å; V32-L56 PolarHBondContact O-N 3.39Å; V32-I58 HydrophobicContact CG2-CD1 3.76Å; V32-I58 HydrophobicContact CG2-CG1 4.16Å; V32-L133 CarbonylContact C-O 3.59Å; V32-L133 VanDerWaalsContact CA-O 3.27Å; V32-L133 WeakPolarHBondContact CA-O 3.44Å; V32-L133 HydrophobicContact CG1-CD2 4.35Å; V32-L133 HydrophobicContact CG2-CB 4.21Å; V32-L133 HydrophobicContact CG2-CD2 4.11Å; V32-I135 HydrophobicContact CG1-CD1 3.4Å; V32-I135 HydrophobicContact CG1-CG1 3.81Å
33F96.6Very high93.7Very high0 Ų067.2 Ų67.20%034%0.336CS..EExtended strand (participates in β ladder)trans-108.1139.5174.5-61.2-83.2000109.4R31 F46 V51 P52 S54 E55 Y132 L133 D134 I135R31-F33 HydrophobicContact CB-CE2 4.29Å; F33-F46 HydrophobicContact CB-CZ 4.46Å; F33-F46 AromaticContact CD2-CE1 3.63Å; F33-F46 HydrophobicContact CD2-CE1 3.63Å; F33-F46 HydrophobicContact CD2-CZ 4.24Å; F33-F46 AromaticContact CE2-CE1 3.88Å; F33-F46 HydrophobicContact CE2-CE1 3.88Å; F33-F46 AromaticContact CG-CE1 4Å; F33-F46 HydrophobicContact CG-CE1 4Å; F33-F46 HydrophobicContact CG-CZ 4.36Å; F33-F46 HydrophobicContact CZ-CE1 4.45Å; F33-V51 HydrophobicContact CE1-CB 3.77Å; F33-V51 HydrophobicContact CE1-CG2 4.13Å; F33-V51 HydrophobicContact CZ-CB 3.7Å; F33-V51 HydrophobicContact CZ-CG1 3.95Å; F33-V51 HydrophobicContact CZ-CG2 4.22Å; F33-P52 HydrophobicContact CD1-CB 3.95Å; F33-P52 HydrophobicContact CD1-CG 4.11Å; F33-P52 WeakPolarHBondContact CE1-O 3.16Å; F33-P52 HydrophobicContact CG-CG 4.41Å; F33-S54 WeakPolarHBondContact CA-O 3.4Å; F33-E55 HydrophobicContact CD1-CB 4.07Å; F33-E55 HydrophobicContact CD1-CG 4.39Å; F33-E55 HydrophobicContact CE1-CB 3.69Å; F33-E55 HydrophobicContact CE1-CG 3.81Å; F33-E55 HydrophobicContact CZ-CB 4.44Å; F33-E55 HydrophobicContact CZ-CG 4.08Å; F33-Y132 HydrophobicContact CD2-CG 4.44Å; F33-Y132 HydrophobicContact CE2-CD1 4.11Å; F33-Y132 HydrophobicContact CE2-CD2 4.18Å; F33-Y132 AromaticContact CE2-CG 3.77Å; F33-Y132 HydrophobicContact CE2-CG 3.77Å; F33-L133 PolarHBondContact N-O 2.77Å; F33-D134 CarbonylContact O-C 3.32Å; F33-D134 WeakPolarHBondContact O-CA 3.4Å; F33-I135 PolarHBondContact O-N 3.49Å
34T94.7Very high93.4Very high3 Ų362.2 Ų62.22%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-122.3141.4-17556.90000111.8V32 H41 S54 Y77 I135 I137V32-T34 HydrophobicContact CG1-CG2 4.44Å; T34-H41 PolarHBondContact O-CE1 3.48Å; T34-S54 PolarHBondContact N-O 3.36Å; T34-S54 PolarHBondContact OG1-OG 3.06Å; T34-Y77 HydrophobicContact CG2-CE2 4.08Å; T34-Y77 PolarHBondContact OG1-OH 3.34Å; T34-I135 WeakPolarHBondContact CA-O 3.48Å; T34-I135 HydrophobicContact CG2-CB 4.45Å; T34-I137 HydrophobicContact CG2-CD1 4.47Å
35T93.3Very high93.2Very high12 Ų1257.9 Ų57.97%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-124.9146.7171.272.70000111.7R39 H41 I135 A136 I137T35-R39 WeakPolarHBondContact CB-O 3.49Å; T35-R39 WeakPolarHBondContact CG2-O 3.15Å; T35-R39 PolarHBondContact OG1-O 3.5Å; T35-H41 WeakPolarHBondContact CG2-CE1 3.1Å; T35-H41 VanDerWaalsContact CG2-ND1 3.29Å; T35-H41 WeakPolarHBondContact CG2-ND1 3.36Å; T35-H41 WeakPolarHBondContact CG2-NE2 3.3Å; T35-I135 PolarHBondContact N-O 3.01Å; T35-A136 WeakPolarHBondContact OG1-CA 3.17Å; T35-A136 WeakPolarHBondContact OG1-CB 3.49Å; T35-I137 WeakPolarHBondContact O-CA 3.49Å; T35-I137 WeakPolarHBondContact O-CB 3.3Å; T35-I137 PolarHBondContact O-N 3.3Å
36N89.3Confident92.9Very high113 Ų11354.9 Ų54.960%0.60428%0.279SS*.SBendtrans-106.30.3178.5-50.85.1000111.4G38N36-G38 VanDerWaalsContact C-N 3.27Å
37S84.1Confident92.4Very high68 Ų6850.3 Ų50.348%0.47625%0.249SC..SBendtrans-78.8-12.9-17863.40000112.5R39 R142S37-R39 VanDerWaalsContact C-N 3.28Å; S37-R39 PolarHBondContact OG-N 3.22Å; S37-R39 PolarHBondContact OG-O 3.02Å; S37-R142 PolarHBondContact O-NH1 3.27Å
38G84Confident91.8Very high6 Ų659.4 Ų59.46%0.06228%0.277CS..SBendtrans74.915.4-170.600000113.7N36 T138 P145N36-G38 VanDerWaalsContact C-N 3.27Å; G38-T138 WeakPolarHBondContact CA-OG1 3.43Å; G38-P145 WeakPolarHBondContact O-CG 3.39Å
39R91.3Very high91Very high194 Ų19462 Ų6273%0.73231%0.308SS*.SBendtrans-132144.4172.9-64.1-176.7-178.3-177.70.2109.8T35 S37T35-R39 WeakPolarHBondContact CB-O 3.49Å; T35-R39 WeakPolarHBondContact CG2-O 3.15Å; T35-R39 PolarHBondContact OG1-O 3.5Å; S37-R39 VanDerWaalsContact C-N 3.28Å; S37-R39 PolarHBondContact OG-N 3.22Å; S37-R39 PolarHBondContact OG-O 3.02Å
40H94.9Very high90.5Very high29 Ų2963.2 Ų63.213%0.13432%0.315CS..PPolyproline II helixtrans-60.2152.7174.1-73.2-67.6000112S88 L103 E105 D134H40-S88 PolarHBondContact CE1-O 2.83Å; H40-S88 WeakPolarHBondContact NE2-CB 3.43Å; H40-S88 PolarHBondContact NE2-OG 3.21Å; H40-L103 HydrophobicContact CB-CD1 3.69Å; H40-L103 HydrophobicContact CB-CD2 4.26Å; H40-E105 IonicContact CD2-OE1 2.82Å; H40-D134 WeakPolarHBondContact CA-OD2 3.19Å; H40-D134 VanDerWaalsContact CB-OD2 3.25Å; H40-D134 WeakPolarHBondContact CB-OD2 3.36Å; H40-D134 PolarHBondContact CE1-O 3.44Å; H40-D134 IonicContact CE1-OD2 2.62Å; H40-D134 IonicContact CG-OD2 3.72Å; H40-D134 IonicContact ND1-OD2 3.82Å; H40-D134 PolarHBondContact ND1-OD2 2.69Å
41H94.4Very high90.3Very high25 Ų2565.4 Ų65.412%0.11633%0.328CS..PPolyproline II helixtrans-58.4147.8170-72.6108000109.9T34 T35 E45 F46 P52 L103 D134T34-H41 PolarHBondContact O-CE1 3.48Å; T35-H41 WeakPolarHBondContact CG2-CE1 3.1Å; T35-H41 VanDerWaalsContact CG2-ND1 3.29Å; T35-H41 WeakPolarHBondContact CG2-ND1 3.36Å; T35-H41 WeakPolarHBondContact CG2-NE2 3.3Å; H41-E45 IonicContact CD2-OE1 3.74Å; H41-E45 IonicContact CD2-OE2 3.1Å; H41-E45 PolarHBondContact CD2-OE2 3.09Å; H41-F46 HydrophobicContact CB-CE2 3.51Å; H41-F46 HydrophobicContact CB-CZ 3.87Å; H41-P52 HydrophobicContact CB-CG 4.3Å; H41-P52 WeakPolarHBondContact NE2-CB 3.49Å; H41-L103 WeakPolarHBondContact O-CD1 3.47Å; H41-D134 IonicContact CE1-OD1 3.36Å; H41-D134 IonicContact CG-OD1 2.72Å; H41-D134 PolarHBondContact N-OD2 3.17Å; H41-D134 VanDerWaalsContact N-OD2 3.11Å; H41-D134 IonicContact ND1-OD1 3.89Å; H41-D134 PolarHBondContact ND1-OD1 2.62Å
42R91.7Very high90Very high164 Ų16462.9 Ų62.962%0.61932%0.32SS*.PPolyproline II helixtrans-77.2150.6177-57.617445.7166.4-3.2110.2D44 E45 F46R42-D44 WeakPolarHBondContact CB-OD1 3.24Å; R42-D44 IonicContact CZ-OD1 3.39Å; R42-D44 IonicContact CZ-OD2 3.51Å; R42-D44 IonicContact NE-OD1 2.86Å; R42-D44 PolarHBondContact NE-OD1 2.84Å; R42-D44 IonicContact NE-OD2 3.55Å; R42-D44 IonicContact NH2-OD1 3.15Å; R42-D44 PolarHBondContact NH2-OD1 3.35Å; R42-D44 VanDerWaalsContact NH2-OD1 3.15Å; R42-D44 IonicContact NH2-OD2 3.23Å; R42-D44 PolarHBondContact NH2-OD2 3.44Å; R42-D44 PolarHBondContact O-N 3.14Å; R42-E45 HydrophobicContact CB-CG 4.33Å; R42-E45 PolarHBondContact N-OE1 3.22Å; R42-E45 WeakPolarHBondContact O-CB 3.25Å; R42-E45 PolarHBondContact O-N 3.1Å; R42-F46 WeakPolarHBondContact O-CD2 3.41Å
43S88.7Confident89.5Confident52 Ų5269 Ų6936%0.36436%0.363SS..G310 helixtrans-60.7-27.418050.10000114E45 F46 Y101S43-E45 VanDerWaalsContact C-N 3.27Å; S43-E45 PolarHBondContact O-N 2.95Å; S43-F46 PolarHBondContact O-N 3.04Å; S43-Y101 WeakPolarHBondContact CB-O 3.36Å
44D88.2Confident89.1Confident80 Ų8071.1 Ų71.143%0.42838%0.377SS..G310 helixtrans-68.8-23.2176.651-59.7000113.6R42 F46 A47R42-D44 WeakPolarHBondContact CB-OD1 3.24Å; R42-D44 IonicContact CZ-OD1 3.39Å; R42-D44 IonicContact CZ-OD2 3.51Å; R42-D44 IonicContact NE-OD1 2.86Å; R42-D44 PolarHBondContact NE-OD1 2.84Å; R42-D44 IonicContact NE-OD2 3.55Å; R42-D44 IonicContact NH2-OD1 3.15Å; R42-D44 PolarHBondContact NH2-OD1 3.35Å; R42-D44 VanDerWaalsContact NH2-OD1 3.15Å; R42-D44 IonicContact NH2-OD2 3.23Å; R42-D44 PolarHBondContact NH2-OD2 3.44Å; R42-D44 PolarHBondContact O-N 3.14Å; D44-F46 PolarHBondContact O-N 3.15Å; D44-A47 WeakPolarHBondContact O-CB 3.3Å; D44-A47 PolarHBondContact O-N 3.38Å
45E90.7Very high89Confident78 Ų7873.7 Ų73.736%0.36439%0.389SS..G310 helixtrans-70.6-22.1177.1-60.5-177.9-111.100112.5H41 R42 S43 N50 P52H41-E45 IonicContact CD2-OE1 3.74Å; H41-E45 IonicContact CD2-OE2 3.1Å; H41-E45 PolarHBondContact CD2-OE2 3.09Å; R42-E45 HydrophobicContact CB-CG 4.33Å; R42-E45 PolarHBondContact N-OE1 3.22Å; R42-E45 WeakPolarHBondContact O-CB 3.25Å; R42-E45 PolarHBondContact O-N 3.1Å; S43-E45 VanDerWaalsContact C-N 3.27Å; S43-E45 PolarHBondContact O-N 2.95Å; E45-N50 CarbonylContact O-C 3.59Å; E45-P52 HydrophobicContact CB-CG 4.33Å
46F89.5Confident89Confident0 Ų074.4 Ų74.40%039%0.393CS..G310 helixtrans-94.1-1175.5-59.9-86.6000112.9F33 H41 R42 S43 D44 N50 V51 P52 V92 Y101 Y132F33-F46 HydrophobicContact CB-CZ 4.46Å; F33-F46 AromaticContact CD2-CE1 3.63Å; F33-F46 HydrophobicContact CD2-CE1 3.63Å; F33-F46 HydrophobicContact CD2-CZ 4.24Å; F33-F46 AromaticContact CE2-CE1 3.88Å; F33-F46 HydrophobicContact CE2-CE1 3.88Å; F33-F46 AromaticContact CG-CE1 4Å; F33-F46 HydrophobicContact CG-CE1 4Å; F33-F46 HydrophobicContact CG-CZ 4.36Å; F33-F46 HydrophobicContact CZ-CE1 4.45Å; H41-F46 HydrophobicContact CB-CE2 3.51Å; H41-F46 HydrophobicContact CB-CZ 3.87Å; R42-F46 WeakPolarHBondContact O-CD2 3.41Å; S43-F46 PolarHBondContact O-N 3.04Å; D44-F46 PolarHBondContact O-N 3.15Å; F46-N50 CarbonylContact C-O 3.57Å; F46-N50 VanDerWaalsContact C-O 3.32Å; F46-N50 VanDerWaalsContact CA-O 3.32Å; F46-N50 WeakPolarHBondContact CA-O 3.26Å; F46-V51 HydrophobicContact CD1-CG1 4.48Å; F46-P52 HydrophobicContact CD1-CG 4.45Å; F46-P52 HydrophobicContact CE1-CG 3.82Å; F46-P52 HydrophobicContact CE2-CG 4.27Å; F46-P52 HydrophobicContact CZ-CG 3.72Å; F46-V92 HydrophobicContact CB-CG1 4.4Å; F46-V92 HydrophobicContact CD1-CG1 4.18Å; F46-V92 HydrophobicContact CD2-CG1 3.82Å; F46-V92 HydrophobicContact CE1-CG1 4.41Å; F46-V92 HydrophobicContact CE2-CG1 4.06Å; F46-V92 HydrophobicContact CE2-CG2 4.12Å; F46-V92 HydrophobicContact CG-CG1 3.87Å; F46-V92 HydrophobicContact CZ-CG1 4.36Å; F46-V92 HydrophobicContact CZ-CG2 4.17Å; F46-Y101 HydrophobicContact CB-CD1 4.32Å; F46-Y101 HydrophobicContact CB-CD2 3.8Å; F46-Y101 HydrophobicContact CB-CE2 4.32Å; F46-Y101 HydrophobicContact CB-CG 3.79Å; F46-Y101 WeakPolarHBondContact O-CD2 3.26Å; F46-Y101 WeakPolarHBondContact O-CE2 3.37Å; F46-Y132 AromaticContact CD1-CD2 3.7Å; F46-Y132 HydrophobicContact CD1-CD2 3.7Å; F46-Y132 HydrophobicContact CD1-CE2 4.1Å; F46-Y132 HydrophobicContact CE1-CD2 4.07Å
47A85.9Confident89.4Confident17 Ų1774.3 Ų74.314%0.1439%0.389CS..G310 helixtrans-78.1158.8-175.100000112.4D44 G49 N50D44-A47 WeakPolarHBondContact O-CB 3.3Å; D44-A47 PolarHBondContact O-N 3.38Å; A47-G49 PolarHBondContact O-N 3.13Å; A47-N50 WeakPolarHBondContact O-CB 3.29Å; A47-N50 PolarHBondContact O-N 3.02Å; A47-N50 VanDerWaalsContact O-N 3.09Å
48R83.1Confident90Very high242 Ų24271.7 Ų71.791%0.91337%0.369SS*.G310 helixtrans59.227171.9-53.9177.4-177-103.50.2115N50R48-N50 VanDerWaalsContact C-N 3.25Å; R48-N50 PolarHBondContact O-N 2.73Å
49G81.9Confident90.6Very high72 Ų7279.2 Ų79.274%0.74240%0.397SS*.G310 helixtrans81.13.7-179.600000114.1A47A47-G49 PolarHBondContact O-N 3.13Å
50N87.3Confident90.8Very high107 Ų10770 Ų7057%0.57236%0.362SS*.  trans-82.1154.8170.7-63.2-32.1000110.4E45 F46 A47 R48E45-N50 CarbonylContact O-C 3.59Å; F46-N50 CarbonylContact C-O 3.57Å; F46-N50 VanDerWaalsContact C-O 3.32Å; F46-N50 VanDerWaalsContact CA-O 3.32Å; F46-N50 WeakPolarHBondContact CA-O 3.26Å; A47-N50 WeakPolarHBondContact O-CB 3.29Å; A47-N50 PolarHBondContact O-N 3.02Å; A47-N50 VanDerWaalsContact O-N 3.09Å; R48-N50 VanDerWaalsContact C-N 3.25Å; R48-N50 PolarHBondContact O-N 2.73Å
51V91.7Very high91Very high47 Ų4771 Ų7129%0.28536%0.364SS..  trans-140.4155170-67.70000109F33 F46 Y132F33-V51 HydrophobicContact CE1-CB 3.77Å; F33-V51 HydrophobicContact CE1-CG2 4.13Å; F33-V51 HydrophobicContact CZ-CB 3.7Å; F33-V51 HydrophobicContact CZ-CG1 3.95Å; F33-V51 HydrophobicContact CZ-CG2 4.22Å; F46-V51 HydrophobicContact CD1-CG1 4.48Å; V51-Y132 HydrophobicContact CG1-CE2 4.3Å
52P92.1Very high91Very high11 Ų1171.9 Ų71.97%0.07137%0.369CS..  trans-59.5149.3173.6-22.332.5000112.7F33 H41 E45 F46 S54F33-P52 HydrophobicContact CD1-CB 3.95Å; F33-P52 HydrophobicContact CD1-CG 4.11Å; F33-P52 WeakPolarHBondContact CE1-O 3.16Å; F33-P52 HydrophobicContact CG-CG 4.41Å; H41-P52 HydrophobicContact CB-CG 4.3Å; H41-P52 WeakPolarHBondContact NE2-CB 3.49Å; E45-P52 HydrophobicContact CB-CG 4.33Å; F46-P52 HydrophobicContact CD1-CG 4.45Å; F46-P52 HydrophobicContact CE1-CG 3.82Å; F46-P52 HydrophobicContact CE2-CG 4.27Å; F46-P52 HydrophobicContact CZ-CG 3.72Å; P52-S54 PolarHBondContact O-N 3.2Å
53S85.8Confident91.2Very high130 Ų13065.3 Ų65.391%0.90935%0.347SS*.SBendtrans-72.2-24.6-174.8-48.60000114.6E55S53-E55 VanDerWaalsContact C-N 3.33Å; S53-E55 PolarHBondContact O-N 2.72Å; S53-E55 VanDerWaalsContact O-N 3.11Å
54S88Confident91.6Very high43 Ų4362.9 Ų62.930%0.30133%0.329SS..  trans-87.272.9-178.8-169.30000110.5F33 T34 P52 Y77F33-S54 WeakPolarHBondContact CA-O 3.4Å; T34-S54 PolarHBondContact N-O 3.36Å; T34-S54 PolarHBondContact OG1-OG 3.06Å; P52-S54 PolarHBondContact O-N 3.2Å; S54-Y77 PolarHBondContact OG-OH 2.96Å
55E93.3Very high92Very high57 Ų5760.8 Ų60.827%0.26632%0.32SS..EExtended strand (participates in β ladder)trans-97.7134.6178.3-173.8177.615200111.5R31 V32 F33 S53 Q57R31-E55 IonicContact CZ-OE1 3.49Å; R31-E55 IonicContact CZ-OE2 3.68Å; R31-E55 IonicContact NE-OE1 3.46Å; R31-E55 PolarHBondContact NE-OE1 3.42Å; R31-E55 IonicContact NE-OE2 3.56Å; R31-E55 PolarHBondContact NE-OE2 2.94Å; R31-E55 IonicContact NH2-OE1 2.7Å; R31-E55 IonicContact NH2-OE2 2.67Å; R31-E55 PolarHBondContact NH2-OE2 3.09Å; V32-E55 CarbonylContact O-C 3.58Å; V32-E55 WeakPolarHBondContact O-CA 3.44Å; F33-E55 HydrophobicContact CD1-CB 4.07Å; F33-E55 HydrophobicContact CD1-CG 4.39Å; F33-E55 HydrophobicContact CE1-CB 3.69Å; F33-E55 HydrophobicContact CE1-CG 3.81Å; F33-E55 HydrophobicContact CZ-CB 4.44Å; F33-E55 HydrophobicContact CZ-CG 4.08Å; S53-E55 VanDerWaalsContact C-N 3.33Å; S53-E55 PolarHBondContact O-N 2.72Å; S53-E55 VanDerWaalsContact O-N 3.11Å; E55-Q57 HydrophobicContact CG-CG 4.38Å; E55-Q57 WeakPolarHBondContact OE1-CG 3.42Å; E55-Q57 PolarHBondContact OE1-NE2 2.8Å
56L94.5Very high92.4Very high28 Ų2857.1 Ų57.115%0.14730%0.302CS..EExtended strand (participates in β ladder)trans-118130.4168176.765000108.8V32 I58 V73 V76V32-L56 HydrophobicContact CB-CB 4.27Å; V32-L56 WeakPolarHBondContact CB-O 3.34Å; V32-L56 PolarHBondContact N-O 2.88Å; V32-L56 PolarHBondContact O-N 3.39Å; L56-I58 HydrophobicContact CD2-CD1 3.9Å; L56-I58 HydrophobicContact CD2-CG1 4.08Å; L56-I58 HydrophobicContact CG-CD1 4.32Å; L56-I58 HydrophobicContact CG-CG1 3.97Å; L56-V73 HydrophobicContact CD2-CG2 4.24Å; L56-V76 HydrophobicContact CD1-CG2 3.81Å; L56-V76 HydrophobicContact CD2-CG2 4.4Å
57Q95.9Very high92.7Very high111 Ų11162.6 Ų62.652%0.51933%0.326SS..EExtended strand (participates in β ladder)trans-104.1127.2177.1-71-178.73.100110.1L29 E55L29-Q57 HydrophobicContact CD1-CB 4Å; L29-Q57 HydrophobicContact CD1-CG 4.41Å; E55-Q57 HydrophobicContact CG-CG 4.38Å; E55-Q57 WeakPolarHBondContact OE1-CG 3.42Å; E55-Q57 PolarHBondContact OE1-NE2 2.8Å
58I96.6Very high93.2Very high12 Ų1264.5 Ų64.56%0.06233%0.332CS..EExtended strand (participates in β ladder)trans-125.6127-176-57.6-177000109.3L30 V32 L56 T60 L69 L72L30-I58 HydrophobicContact CB-CB 4.36Å; L30-I58 WeakPolarHBondContact CB-O 3.49Å; L30-I58 PolarHBondContact N-O 3.01Å; L30-I58 PolarHBondContact O-N 2.89Å; V32-I58 HydrophobicContact CG2-CD1 3.76Å; V32-I58 HydrophobicContact CG2-CG1 4.16Å; L56-I58 HydrophobicContact CD2-CD1 3.9Å; L56-I58 HydrophobicContact CD2-CG1 4.08Å; L56-I58 HydrophobicContact CG-CD1 4.32Å; L56-I58 HydrophobicContact CG-CG1 3.97Å; I58-T60 HydrophobicContact CG2-CG2 4.41Å; I58-L69 HydrophobicContact CD1-CD2 4.3Å; I58-L72 HydrophobicContact CD1-CB 4.11Å; I58-L72 HydrophobicContact CD1-CD1 4.09Å; I58-L72 HydrophobicContact CG2-CD1 3.51Å
59Y96.8Very high93.9Very high165 Ų16553 Ų5365%0.64729%0.289SS*.EExtended strand (participates in β ladder)trans-84.5117.5166.7-65.8-66.6000109.5L28 L29L28-Y59 WeakPolarHBondContact O-CA 3.31Å; L29-Y59 HydrophobicContact CB-CE1 4.29Å; L29-Y59 HydrophobicContact CD1-CD1 4.09Å; L29-Y59 HydrophobicContact CD1-CE1 3.64Å
60T97Very high94.6Very high1 Ų149.8 Ų49.81%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-152.7-169.2-175.9-1610000112.4P27 L28 L30 I58 A64 L122P27-T60 CarbonylContact C-O 3.57Å; P27-T60 WeakPolarHBondContact CA-O 3.31Å; P27-T60 VanDerWaalsContact CB-O 3.31Å; P27-T60 WeakPolarHBondContact CB-O 3.44Å; L28-T60 HydrophobicContact CD1-CG2 4.13Å; L28-T60 WeakPolarHBondContact CG-O 3.41Å; L28-T60 PolarHBondContact N-O 3.15Å; L28-T60 PolarHBondContact O-N 3.27Å; L30-T60 HydrophobicContact CB-CG2 4Å; L30-T60 HydrophobicContact CD2-CG2 4Å; I58-T60 HydrophobicContact CG2-CG2 4.41Å; T60-A64 HydrophobicContact CG2-CB 4.09Å; T60-A64 WeakPolarHBondContact OG1-CB 3.26Å; T60-L122 HydrophobicContact CG2-CD1 4.28Å
61W97.3Very high95Very high48 Ų4847.2 Ų47.218%0.18225%0.245CC..  trans-127.4169.1179.7-65.3-95.5000111I20 R22 T25 P27 D63 A64I20-W61 HydrophobicContact CD1-CB 4.31Å; I20-W61 HydrophobicContact CG2-CB 4.49Å; I20-W61 HydrophobicContact CG2-CG 4.38Å; R22-W61 HydrophobicContact CB-CD2 4.03Å; R22-W61 HydrophobicContact CB-CE3 4.33Å; R22-W61 HydrophobicContact CB-CH2 4.04Å; R22-W61 HydrophobicContact CB-CZ2 3.71Å; R22-W61 HydrophobicContact CB-CZ3 4.34Å; R22-W61 VanDerWaalsContact CD-CE3 3.41Å; R22-W61 HydrophobicContact CG-CD2 3.57Å; R22-W61 HydrophobicContact CG-CE3 3.81Å; R22-W61 HydrophobicContact CG-CG 3.92Å; R22-W61 HydrophobicContact CG-CH2 4.42Å; R22-W61 HydrophobicContact CG-CZ2 4.21Å; R22-W61 HydrophobicContact CG-CZ3 4.24Å; R22-W61 WeakPolarHBondContact O-CZ2 3.35Å; T25-W61 PolarHBondContact O-NE1 3.1Å; P27-W61 HydrophobicContact CB-CD2 4.3Å; P27-W61 HydrophobicContact CB-CH2 4.29Å; P27-W61 HydrophobicContact CB-CZ2 3.88Å; P27-W61 HydrophobicContact CG-CZ2 4.28Å; W61-D63 WeakPolarHBondContact CB-OD1 3.39Å; W61-D63 PolarHBondContact O-N 3.29Å; W61-A64 WeakPolarHBondContact O-CB 3.35Å; W61-A64 PolarHBondContact O-N 2.99Å
62M96Very high95.2Very high44 Ų4447.3 Ų47.322%0.21724%0.244CC..THydrogen-bonded Turntrans-65.3-21.1-179.7-67.1-62.6-69.700113.2I20 L28 A64 L122 Q123 F127I20-M62 HydrophobicContact CD1-CB 3.72Å; L28-M62 HydrophobicContact CD2-CG 3.89Å; L28-M62 HydrophobicContact CD2-SD 3.49Å; L28-M62 WeakPolarHBondContact CD2-SD 3.39Å; M62-A64 VanDerWaalsContact C-N 3.28Å; M62-A64 PolarHBondContact O-N 3.27Å; M62-L122 PolarHBondContact O-N 2.81Å; M62-Q123 HydrophobicContact CB-CB 4.15Å; M62-Q123 VanDerWaalsContact O-CB 3.3Å; M62-Q123 WeakPolarHBondContact O-CB 3.15Å; M62-Q123 PolarHBondContact O-N 3.49Å; M62-F127 HydrophobicContact CE-CB 4.31Å; M62-F127 HydrophobicContact CE-CD1 4.05Å; M62-F127 WeakPolarHBondContact CE-O 3.22Å; M62-F127 HydrophobicContact SD-CD1 3.83Å; M62-F127 HydrophobicContact SD-CE1 4.43Å
63D95.4Very high95.3Very high27 Ų2746.8 Ų46.814%0.14424%0.241CC..THydrogen-bonded Turntrans-85.13.6175.272.6-7.2000113.7I20 R22 W61 T65 T121I20-D63 HydrophobicContact CB-CB 4.5Å; I20-D63 HydrophobicContact CD1-CB 4.21Å; I20-D63 HydrophobicContact CG1-CB 4.22Å; I20-D63 PolarHBondContact N-OD2 3.15Å; I20-D63 VanDerWaalsContact N-OD2 3.13Å; R22-D63 IonicContact CZ-OD1 3.56Å; R22-D63 IonicContact NE-OD1 2.72Å; R22-D63 PolarHBondContact NE-OD1 3.17Å; R22-D63 VanDerWaalsContact NE-OD1 3.1Å; R22-D63 IonicContact NE-OD2 2.94Å; R22-D63 IonicContact NH2-OD1 3.48Å; R22-D63 PolarHBondContact NH2-OD1 3.26Å; W61-D63 WeakPolarHBondContact CB-OD1 3.39Å; W61-D63 PolarHBondContact O-N 3.29Å; D63-T65 PolarHBondContact O-N 3.25Å; D63-T121 VanDerWaalsContact O-CG2 3.31Å; D63-T121 WeakPolarHBondContact O-CG2 3.43Å
64A96.9Very high95.7Very high0 Ų042.5 Ų42.50%021%0.206CC..  trans-60.1128.6177.600000111.4T60 W61 M62 E68 L69 T121 L122T60-A64 HydrophobicContact CG2-CB 4.09Å; T60-A64 WeakPolarHBondContact OG1-CB 3.26Å; W61-A64 WeakPolarHBondContact O-CB 3.35Å; W61-A64 PolarHBondContact O-N 2.99Å; M62-A64 VanDerWaalsContact C-N 3.28Å; M62-A64 PolarHBondContact O-N 3.27Å; A64-E68 WeakPolarHBondContact CA-OE2 3.44Å; A64-L69 HydrophobicContact CB-CD2 4.48Å; A64-T121 CarbonylContact O-C 3.47Å; A64-T121 VanDerWaalsContact O-CA 3.24Å; A64-T121 WeakPolarHBondContact O-CA 3.32Å; A64-L122 HydrophobicContact CB-CD1 4.11Å; A64-L122 HydrophobicContact CB-CG 4.43Å; A64-L122 PolarHBondContact O-N 2.86Å; A64-L122 VanDerWaalsContact O-N 3.1Å
65T97.5Very high96Very high37 Ų3746.8 Ų46.823%0.22722%0.221CC..BIsolated β-bridgetrans-89.8156.4-176.563.80000112.2D63 K67 E68 L69 D118 M120 T121D63-T65 PolarHBondContact O-N 3.25Å; T65-K67 PolarHBondContact O-N 3.21Å; T65-E68 WeakPolarHBondContact O-CB 3.44Å; T65-E68 PolarHBondContact O-N 2.94Å; T65-E68 VanDerWaalsContact O-N 3.09Å; T65-E68 WeakPolarHBondContact OG1-CB 3.34Å; T65-E68 PolarHBondContact OG1-N 3.5Å; T65-E68 VanDerWaalsContact OG1-N 3.14Å; T65-L69 WeakPolarHBondContact O-CG 3.45Å; T65-L69 PolarHBondContact O-N 2.99Å; T65-D118 WeakPolarHBondContact CB-O 3.26Å; T65-M120 CarbonylContact C-O 3.45Å; T65-M120 VanDerWaalsContact CA-O 3.25Å; T65-M120 WeakPolarHBondContact CA-O 2.91Å; T65-T121 HydrophobicContact CG2-CG2 4.08Å
66L97.4Very high96Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-57.3-35.2173.9-58.5-168.9000112T70 F89 I106 T109 D117 M120L66-T70 WeakPolarHBondContact O-CB 3.41Å; L66-T70 PolarHBondContact O-N 3.02Å; L66-T70 PolarHBondContact O-OG1 3.09Å; L66-F89 HydrophobicContact CB-CD2 4.39Å; L66-F89 HydrophobicContact CB-CE2 4.15Å; L66-F89 HydrophobicContact CB-CZ 4.27Å; L66-F89 HydrophobicContact CD1-CB 4.46Å; L66-F89 HydrophobicContact CD1-CD2 4.08Å; L66-F89 HydrophobicContact CD1-CG 4.3Å; L66-F89 HydrophobicContact CD2-CB 4.22Å; L66-F89 HydrophobicContact CD2-CD1 3.85Å; L66-F89 HydrophobicContact CD2-CD2 4.3Å; L66-F89 HydrophobicContact CD2-CE1 4.24Å; L66-F89 HydrophobicContact CD2-CG 3.88Å; L66-F89 HydrophobicContact CG-CD2 4.49Å; L66-I106 HydrophobicContact CD2-CD1 3.85Å; L66-T109 HydrophobicContact CB-CG2 3.64Å; L66-D117 HydrophobicContact CD1-CB 4.04Å; L66-M120 HydrophobicContact CD1-CB 4.17Å; L66-M120 HydrophobicContact CG-CB 4.12Å; L66-M120 PolarHBondContact N-O 2.7Å
67K96.9Very high95.8Very high116 Ų11649.2 Ų49.250%0.50424%0.235SC..Hα-helixtrans-67.1-40.5176.3-176.1177177.8-175.40112.9T65 T70 S71 D118T65-K67 PolarHBondContact O-N 3.21Å; K67-T70 PolarHBondContact O-N 3.16Å; K67-S71 PolarHBondContact O-N 3.09Å; K67-S71 VanDerWaalsContact O-N 3.09Å; K67-S71 PolarHBondContact O-OG 3.41Å; K67-D118 HydrophobicContact CB-CB 4.07Å; K67-D118 VanDerWaalsContact CB-O 3.3Å; K67-D118 WeakPolarHBondContact CB-O 3.21Å; K67-D118 HydrophobicContact CD-CB 4.3Å; K67-D118 PolarHBondContact N-O 2.89Å
68E96.9Very high95.5Very high56 Ų5647.7 Ų47.726%0.26223%0.234SC..Hα-helixtrans-60.9-49.9174.9-175.5177.4-178.200110.3R22 A64 T65 T70 S71 L72R22-E68 IonicContact CZ-OE1 3.61Å; R22-E68 IonicContact CZ-OE2 3.78Å; R22-E68 IonicContact NH1-OE1 2.72Å; R22-E68 PolarHBondContact NH1-OE1 3.14Å; R22-E68 IonicContact NH1-OE2 3.61Å; R22-E68 IonicContact NH2-OE1 3.54Å; R22-E68 PolarHBondContact NH2-OE1 2.91Å; R22-E68 IonicContact NH2-OE2 3.36Å; R22-E68 PolarHBondContact NH2-OE2 3.28Å; A64-E68 WeakPolarHBondContact CA-OE2 3.44Å; T65-E68 WeakPolarHBondContact O-CB 3.44Å; T65-E68 PolarHBondContact O-N 2.94Å; T65-E68 VanDerWaalsContact O-N 3.09Å; T65-E68 WeakPolarHBondContact OG1-CB 3.34Å; T65-E68 PolarHBondContact OG1-N 3.5Å; T65-E68 VanDerWaalsContact OG1-N 3.14Å; E68-T70 PolarHBondContact O-N 2.84Å; E68-S71 WeakPolarHBondContact O-CA 3.31Å; E68-S71 WeakPolarHBondContact O-CB 3.31Å; E68-S71 PolarHBondContact O-N 3.38Å; E68-L72 PolarHBondContact O-N 3.21Å; E68-L72 VanDerWaalsContact O-N 3.17Å
69L97.2Very high95Very high1 Ų154.9 Ų54.91%0.00527%0.268CS..Hα-helixtrans-60.6-43.2177.6-62.6173.5000112.3L30 I58 A64 T65 S71 L72 V73 F89 L122 L133L30-L69 HydrophobicContact CD2-CD1 4.38Å; L30-L69 HydrophobicContact CD2-CD2 3.69Å; I58-L69 HydrophobicContact CD1-CD2 4.3Å; A64-L69 HydrophobicContact CB-CD2 4.48Å; T65-L69 WeakPolarHBondContact O-CG 3.45Å; T65-L69 PolarHBondContact O-N 2.99Å; L69-S71 PolarHBondContact O-N 2.79Å; L69-L72 PolarHBondContact O-N 3.22Å; L69-V73 WeakPolarHBondContact O-CG2 3.08Å; L69-V73 PolarHBondContact O-N 3.03Å; L69-F89 HydrophobicContact CB-CE1 4Å; L69-F89 HydrophobicContact CB-CZ 4.47Å; L69-F89 HydrophobicContact CD1-CE1 4.41Å; L69-L122 HydrophobicContact CD1-CD2 4.07Å; L69-L122 HydrophobicContact CD1-CG 4.45Å; L69-L133 HydrophobicContact CD1-CD2 3.7Å
70T96.4Very high94.7Very high4 Ų447.2 Ų47.23%0.02524%0.239CC..Hα-helixtrans-58.1-34.7173.1-70.60000112.5L66 K67 E68 K74 F87 F89 T109L66-T70 WeakPolarHBondContact O-CB 3.41Å; L66-T70 PolarHBondContact O-N 3.02Å; L66-T70 PolarHBondContact O-OG1 3.09Å; K67-T70 PolarHBondContact O-N 3.16Å; E68-T70 PolarHBondContact O-N 2.84Å; T70-K74 HydrophobicContact CG2-CD 4.17Å; T70-K74 VanDerWaalsContact CG2-CE 3.4Å; T70-K74 WeakPolarHBondContact O-CD 3.27Å; T70-K74 VanDerWaalsContact O-CG 3.26Å; T70-K74 WeakPolarHBondContact O-CG 3.49Å; T70-K74 PolarHBondContact O-N 3.24Å; T70-K74 VanDerWaalsContact O-N 3.15Å; T70-F87 HydrophobicContact CG2-CD1 4.37Å; T70-F87 HydrophobicContact CG2-CD2 3.83Å; T70-F87 HydrophobicContact CG2-CE1 4.28Å; T70-F87 HydrophobicContact CG2-CE2 3.77Å; T70-F87 HydrophobicContact CG2-CG 4.15Å; T70-F87 HydrophobicContact CG2-CZ 3.97Å; T70-F89 WeakPolarHBondContact OG1-CZ 3.46Å; T70-T109 PolarHBondContact OG1-OG1 3.47Å
71S95.8Very high94.5Very high53 Ų5354 Ų5437%0.37126%0.264SS..Hα-helixtrans-70.3-41.3-178.8-56.10000110.7K67 E68 L69 K74 E75K67-S71 PolarHBondContact O-N 3.09Å; K67-S71 VanDerWaalsContact O-N 3.09Å; K67-S71 PolarHBondContact O-OG 3.41Å; E68-S71 WeakPolarHBondContact O-CA 3.31Å; E68-S71 WeakPolarHBondContact O-CB 3.31Å; E68-S71 PolarHBondContact O-N 3.38Å; L69-S71 PolarHBondContact O-N 2.79Å; S71-K74 WeakPolarHBondContact O-CB 3.21Å; S71-K74 PolarHBondContact O-N 2.97Å; S71-E75 PolarHBondContact O-N 2.82Å
72L95.7Very high94.3Very high50 Ų5057.1 Ų57.126%0.26228%0.279SS..Hα-helixtrans-64.7-42.5174.1-62.4171.3000112.2I58 E68 L69 K74 E75I58-L72 HydrophobicContact CD1-CB 4.11Å; I58-L72 HydrophobicContact CD1-CD1 4.09Å; I58-L72 HydrophobicContact CG2-CD1 3.51Å; E68-L72 PolarHBondContact O-N 3.21Å; E68-L72 VanDerWaalsContact O-N 3.17Å; L69-L72 PolarHBondContact O-N 3.22Å; L72-K74 PolarHBondContact O-N 2.96Å; L72-E75 WeakPolarHBondContact O-CB 3.34Å; L72-E75 PolarHBondContact O-N 2.74Å; L72-E75 VanDerWaalsContact O-N 3.09Å
73V94.7Very high94.2Very high0 Ų062.3 Ų62.30%030%0.3CS..Hα-helixtrans-59.5-37.5175.5172.90000111.4L56 L69 E75 V76 Y77 F87 I135 I137L56-V73 HydrophobicContact CD2-CG2 4.24Å; L69-V73 WeakPolarHBondContact O-CG2 3.08Å; L69-V73 PolarHBondContact O-N 3.03Å; V73-E75 VanDerWaalsContact C-N 3.28Å; V73-E75 PolarHBondContact O-N 2.87Å; V73-V76 PolarHBondContact O-N 3.28Å; V73-Y77 HydrophobicContact CG1-CD2 3.93Å; V73-Y77 WeakPolarHBondContact O-CD2 3.21Å; V73-Y77 PolarHBondContact O-N 3.39Å; V73-F87 HydrophobicContact CG1-CD1 4.49Å; V73-F87 HydrophobicContact CG1-CE1 4Å; V73-I135 HydrophobicContact CG2-CD1 3.75Å; V73-I137 HydrophobicContact CG1-CD1 3.94Å
74K94.5Very high94Very high40 Ų4062 Ų6217%0.17430%0.304CS..Hα-helixtrans-68.9-22.9177.7-74.7165.2-177.5176.30114T70 S71 L72 V76 R81 F87 S111T70-K74 HydrophobicContact CG2-CD 4.17Å; T70-K74 VanDerWaalsContact CG2-CE 3.4Å; T70-K74 WeakPolarHBondContact O-CD 3.27Å; T70-K74 VanDerWaalsContact O-CG 3.26Å; T70-K74 WeakPolarHBondContact O-CG 3.49Å; T70-K74 PolarHBondContact O-N 3.24Å; T70-K74 VanDerWaalsContact O-N 3.15Å; S71-K74 WeakPolarHBondContact O-CB 3.21Å; S71-K74 PolarHBondContact O-N 2.97Å; L72-K74 PolarHBondContact O-N 2.96Å; K74-V76 VanDerWaalsContact C-N 3.31Å; K74-R81 HydrophobicContact CB-CG 3.87Å; K74-R81 HydrophobicContact CD-CG 4.5Å; K74-R81 HydrophobicContact CG-CG 4.06Å; K74-R81 VanDerWaalsContact O-CZ 3.32Å; K74-R81 PolarHBondContact O-NE 3.36Å; K74-R81 PolarHBondContact O-NH2 3.45Å; K74-F87 HydrophobicContact CG-CZ 4.23Å; K74-S111 WeakPolarHBondContact CE-OG 3.28Å; K74-S111 PolarHBondContact NZ-OG 2.85Å
75E93.8Very high93.8Very high133 Ų13362.2 Ų62.262%0.62131%0.305SS*.Hα-helixtrans-67.2-40.1174.7-69.2176.3-17000110.2S71 L72 V73S71-E75 PolarHBondContact O-N 2.82Å; L72-E75 WeakPolarHBondContact O-CB 3.34Å; L72-E75 PolarHBondContact O-N 2.74Å; L72-E75 VanDerWaalsContact O-N 3.09Å; V73-E75 VanDerWaalsContact C-N 3.28Å; V73-E75 PolarHBondContact O-N 2.87Å
76V91.9Very high93.7Very high81 Ų8162 Ų6249%0.49130%0.301SS..Hα-helixtrans-85.9-34.9-178.3-176.70000113.1L56 V73 K74 P78L56-V76 HydrophobicContact CD1-CG2 3.81Å; L56-V76 HydrophobicContact CD2-CG2 4.4Å; V73-V76 PolarHBondContact O-N 3.28Å; K74-V76 VanDerWaalsContact C-N 3.31Å; V76-P78 VanDerWaalsContact O-CD 3.3Å; V76-P78 WeakPolarHBondContact O-CD 2.92Å
77Y90.4Very high93.7Very high55 Ų5562 Ų6222%0.21630%0.301CS..  trans-116.288.5-179.4-60.3-85.8000111.2T34 S54 V73 E79 A80T34-Y77 HydrophobicContact CG2-CE2 4.08Å; T34-Y77 PolarHBondContact OG1-OH 3.34Å; S54-Y77 PolarHBondContact OG-OH 2.96Å; V73-Y77 HydrophobicContact CG1-CD2 3.93Å; V73-Y77 WeakPolarHBondContact O-CD2 3.21Å; V73-Y77 PolarHBondContact O-N 3.39Å; Y77-E79 VanDerWaalsContact C-N 3.26Å; Y77-E79 PolarHBondContact O-N 2.81Å; Y77-A80 VanDerWaalsContact O-CB 3.31Å; Y77-A80 WeakPolarHBondContact O-CB 3.4Å; Y77-A80 PolarHBondContact O-N 3.09Å
78P89.6Confident93.7Very high78 Ų7857.4 Ų57.451%0.50628%0.284SS..G310 helixtrans-56.9-35.5-177.6-27.434.8000114.3V76 A80 R81V76-P78 VanDerWaalsContact O-CD 3.3Å; V76-P78 WeakPolarHBondContact O-CD 2.92Å; P78-A80 PolarHBondContact O-N 2.79Å; P78-A80 VanDerWaalsContact O-N 3.16Å; P78-R81 WeakPolarHBondContact O-CB 3.19Å; P78-R81 VanDerWaalsContact O-CG 3.31Å; P78-R81 WeakPolarHBondContact O-CG 3.5Å; P78-R81 PolarHBondContact O-N 2.99Å
79E87.6Confident93.7Very high164 Ų16454.7 Ų54.777%0.76627%0.271SS*.G310 helixtrans-58.1-29.6177.7-64.4-55.2129.400112.7Y77 R81 K82Y77-E79 VanDerWaalsContact C-N 3.26Å; Y77-E79 PolarHBondContact O-N 2.81Å; E79-R81 PolarHBondContact O-N 3.26Å; E79-K82 PolarHBondContact O-N 3.28Å
80A89.6Confident93.7Very high4 Ų454.7 Ų54.73%0.03327%0.271CS..G310 helixtrans-73.5-10.5179.700000113Y77 P78 K82 T85 F87 S111 I137Y77-A80 VanDerWaalsContact O-CB 3.31Å; Y77-A80 WeakPolarHBondContact O-CB 3.4Å; Y77-A80 PolarHBondContact O-N 3.09Å; P78-A80 PolarHBondContact O-N 2.79Å; P78-A80 VanDerWaalsContact O-N 3.16Å; A80-K82 VanDerWaalsContact C-N 3.27Å; A80-K82 PolarHBondContact O-N 2.83Å; A80-T85 HydrophobicContact CB-CG2 4.39Å; A80-T85 WeakPolarHBondContact O-CB 3.47Å; A80-F87 HydrophobicContact CB-CE1 3.75Å; A80-F87 HydrophobicContact CB-CZ 3.58Å; A80-F87 WeakPolarHBondContact O-CZ 3.37Å; A80-S111 PolarHBondContact O-OG 2.77Å; A80-I137 HydrophobicContact CB-CD1 4.49Å; A80-I137 HydrophobicContact CB-CG2 4.18Å
81R92.6Very high93.8Very high143 Ų14354.7 Ų54.754%0.5427%0.271SS..G310 helixtrans-72.3-19.6175.6-62.8176.9-173.4-178.94.4112.8K74 P78 E79 K83K74-R81 HydrophobicContact CB-CG 3.87Å; K74-R81 HydrophobicContact CD-CG 4.5Å; K74-R81 HydrophobicContact CG-CG 4.06Å; K74-R81 VanDerWaalsContact O-CZ 3.32Å; K74-R81 PolarHBondContact O-NE 3.36Å; K74-R81 PolarHBondContact O-NH2 3.45Å; P78-R81 WeakPolarHBondContact O-CB 3.19Å; P78-R81 VanDerWaalsContact O-CG 3.31Å; P78-R81 WeakPolarHBondContact O-CG 3.5Å; P78-R81 PolarHBondContact O-N 2.99Å; E79-R81 PolarHBondContact O-N 3.26Å; R81-K83 PolarHBondContact O-N 3.03Å
82K93.4Very high93.8Very high114 Ų11452.1 Ų52.150%0.49625%0.253SS..SBendtrans-55.1129.4-177.7-167.2176.1178.9174.20110.2E79 A80 G84 T85 S111 P140E79-K82 PolarHBondContact O-N 3.28Å; A80-K82 VanDerWaalsContact C-N 3.27Å; A80-K82 PolarHBondContact O-N 2.83Å; K82-G84 PolarHBondContact O-N 2.83Å; K82-T85 WeakPolarHBondContact O-CB 3.09Å; K82-T85 PolarHBondContact O-N 2.98Å; K82-T85 PolarHBondContact O-OG1 2.7Å; K82-S111 WeakPolarHBondContact O-CB 3.42Å; K82-P140 HydrophobicContact CB-CG 4.48Å; K82-P140 HydrophobicContact CD-CG 3.67Å; K82-P140 HydrophobicContact CG-CG 3.88Å
83K93.3Very high93.7Very high152 Ų15252.6 Ų52.666%0.66125%0.253SS*.THydrogen-bonded Turntrans-57.5131.1-179.2-172.8175.2-179.1178.60109.9R81 S111 P140R81-K83 PolarHBondContact O-N 3.03Å; K83-S111 WeakPolarHBondContact CA-O 3.17Å; K83-P140 WeakPolarHBondContact O-CB 3.49Å; K83-P140 WeakPolarHBondContact O-CG 3.34Å
84G91.4Very high93.5Very high22 Ų2255.8 Ų55.823%0.22727%0.274CS..THydrogen-bonded Turntrans88.1-0.2-17600000115.3K82 H86 S111K82-G84 PolarHBondContact O-N 2.83Å; G84-H86 PolarHBondContact O-N 2.81Å; G84-S111 PolarHBondContact N-O 3.27Å
85T94.1Very high93.2Very high3 Ų354.9 Ų54.92%0.01827%0.271CS..  trans-61.6126.7167.5-53.80000109.3A80 K82 F87 V110 S111 I137 T138A80-T85 HydrophobicContact CB-CG2 4.39Å; A80-T85 WeakPolarHBondContact O-CB 3.47Å; K82-T85 WeakPolarHBondContact O-CB 3.09Å; K82-T85 PolarHBondContact O-N 2.98Å; K82-T85 PolarHBondContact O-OG1 2.7Å; T85-F87 HydrophobicContact CG2-CE2 3.91Å; T85-F87 HydrophobicContact CG2-CZ 4Å; T85-V110 CarbonylContact O-C 3.57Å; T85-V110 WeakPolarHBondContact O-CA 3.39Å; T85-S111 PolarHBondContact O-N 3.48Å; T85-I137 HydrophobicContact CG2-CG2 3.52Å; T85-T138 CarbonylContact C-O 3.48Å; T85-T138 WeakPolarHBondContact CA-O 3.21Å
86H95Very high92.7Very high32 Ų3254.6 Ų54.615%0.14828%0.281CS..EExtended strand (participates in β ladder)trans-98.1137.4179.2-179.6-90.6000110.1G84 S108 I137 T138G84-H86 PolarHBondContact O-N 2.81Å; H86-S108 VanDerWaalsContact CE1-CB 3.49Å; H86-S108 WeakPolarHBondContact CE1-CB 3.48Å; H86-S108 WeakPolarHBondContact NE2-CB 3.47Å; H86-S108 PolarHBondContact NE2-OG 2.95Å; H86-S108 VanDerWaalsContact NE2-OG 3.13Å; H86-I137 WeakPolarHBondContact O-CA 3.41Å; H86-T138 PolarHBondContact N-O 2.99Å; H86-T138 PolarHBondContact O-N 2.96Å
87F96.2Very high92.4Very high0 Ų061.8 Ų61.80%030%0.299CS..EExtended strand (participates in β ladder)trans-120.2110.1177-58.8-102.2000107.3T70 V73 K74 A80 T85 F89 S108 T109 S111 I135 I137T70-F87 HydrophobicContact CG2-CD1 4.37Å; T70-F87 HydrophobicContact CG2-CD2 3.83Å; T70-F87 HydrophobicContact CG2-CE1 4.28Å; T70-F87 HydrophobicContact CG2-CE2 3.77Å; T70-F87 HydrophobicContact CG2-CG 4.15Å; T70-F87 HydrophobicContact CG2-CZ 3.97Å; V73-F87 HydrophobicContact CG1-CD1 4.49Å; V73-F87 HydrophobicContact CG1-CE1 4Å; K74-F87 HydrophobicContact CG-CZ 4.23Å; A80-F87 HydrophobicContact CB-CE1 3.75Å; A80-F87 HydrophobicContact CB-CZ 3.58Å; A80-F87 WeakPolarHBondContact O-CZ 3.37Å; T85-F87 HydrophobicContact CG2-CE2 3.91Å; T85-F87 HydrophobicContact CG2-CZ 4Å; F87-F89 HydrophobicContact CB-CD2 4.43Å; F87-F89 HydrophobicContact CB-CE2 3.72Å; F87-F89 HydrophobicContact CB-CZ 4.32Å; F87-S108 CarbonylContact O-C 3.6Å; F87-S108 WeakPolarHBondContact O-CA 3.36Å; F87-S108 WeakPolarHBondContact O-CB 3.4Å; F87-T109 PolarHBondContact N-O 3.21Å; F87-T109 PolarHBondContact O-N 3.02Å; F87-S111 WeakPolarHBondContact CE2-OG 3.44Å; F87-I135 HydrophobicContact CB-CG2 4.13Å; F87-I135 HydrophobicContact CD1-CG2 4.04Å; F87-I137 HydrophobicContact CD1-CD1 4.45Å; F87-I137 HydrophobicContact CD1-CG1 3.98Å; F87-I137 HydrophobicContact CD1-CG2 4.48Å; F87-I137 HydrophobicContact CE1-CD1 4.23Å; F87-I137 HydrophobicContact CE1-CG1 4.17Å; F87-I137 HydrophobicContact CE1-CG2 4.24Å
88S96.8Very high92Very high20 Ų2062.8 Ų62.814%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-91.7132.9170.8-1710000109H40 I135 A136H40-S88 PolarHBondContact CE1-O 2.83Å; H40-S88 WeakPolarHBondContact NE2-CB 3.43Å; H40-S88 PolarHBondContact NE2-OG 3.21Å; S88-I135 CarbonylContact O-C 3.56Å; S88-I135 VanDerWaalsContact O-CA 3.26Å; S88-I135 WeakPolarHBondContact O-CA 3.44Å; S88-A136 PolarHBondContact N-O 3.15Å; S88-A136 PolarHBondContact O-N 3.09Å
89F97.6Very high91.6Very high0 Ų069.4 Ų69.40%033%0.331CS..EExtended strand (participates in β ladder)trans-111.3135.5-178.2-69.9-100.7000110.7L66 L69 T70 F87 E105 I106 G107 T109 L133 I135L66-F89 HydrophobicContact CB-CD2 4.39Å; L66-F89 HydrophobicContact CB-CE2 4.15Å; L66-F89 HydrophobicContact CB-CZ 4.27Å; L66-F89 HydrophobicContact CD1-CB 4.46Å; L66-F89 HydrophobicContact CD1-CD2 4.08Å; L66-F89 HydrophobicContact CD1-CG 4.3Å; L66-F89 HydrophobicContact CD2-CB 4.22Å; L66-F89 HydrophobicContact CD2-CD1 3.85Å; L66-F89 HydrophobicContact CD2-CD2 4.3Å; L66-F89 HydrophobicContact CD2-CE1 4.24Å; L66-F89 HydrophobicContact CD2-CG 3.88Å; L66-F89 HydrophobicContact CG-CD2 4.49Å; L69-F89 HydrophobicContact CB-CE1 4Å; L69-F89 HydrophobicContact CB-CZ 4.47Å; L69-F89 HydrophobicContact CD1-CE1 4.41Å; T70-F89 WeakPolarHBondContact OG1-CZ 3.46Å; F87-F89 HydrophobicContact CB-CD2 4.43Å; F87-F89 HydrophobicContact CB-CE2 3.72Å; F87-F89 HydrophobicContact CB-CZ 4.32Å; F89-E105 WeakPolarHBondContact O-CA 3.49Å; F89-I106 HydrophobicContact CB-CD1 4Å; F89-I106 HydrophobicContact CB-CG1 3.62Å; F89-I106 WeakPolarHBondContact O-CG1 3.34Å; F89-I106 PolarHBondContact O-N 3.11Å; F89-G107 WeakPolarHBondContact CB-O 3.47Å; F89-G107 PolarHBondContact N-O 2.83Å; F89-T109 HydrophobicContact CE2-CG2 4.02Å; F89-L133 HydrophobicContact CD1-CD1 4.35Å; F89-L133 HydrophobicContact CD1-CD2 4.06Å; F89-L133 HydrophobicContact CD1-CG 4.41Å; F89-L133 HydrophobicContact CE1-CD2 4.32Å; F89-I135 HydrophobicContact CD1-CD1 3.89Å; F89-I135 HydrophobicContact CD1-CG1 3.72Å; F89-I135 HydrophobicContact CE1-CD1 3.4Å; F89-I135 VanDerWaalsContact CE1-CD1 3.4Å; F89-I135 HydrophobicContact CE1-CG1 3.77Å; F89-I135 HydrophobicContact CG-CG1 4.49Å; F89-I135 HydrophobicContact CZ-CD1 4.13Å
90A97.6Very high91.5Very high0 Ų067 Ų670%032%0.322CS..EExtended strand (participates in β ladder)trans-137.6143.8171.700000111.7L103 K104 E105 D134A90-L103 HydrophobicContact CB-CD1 4.13Å; A90-L103 HydrophobicContact CB-CD2 3.42Å; A90-L103 VanDerWaalsContact CB-CD2 3.42Å; A90-L103 HydrophobicContact CB-CG 3.66Å; A90-K104 CarbonylContact C-O 3.54Å; A90-K104 WeakPolarHBondContact CA-O 3.17Å; A90-K104 WeakPolarHBondContact CB-O 3.49Å; A90-E105 HydrophobicContact CB-CG 4.27Å; A90-D134 HydrophobicContact CB-CB 4.5Å; A90-D134 PolarHBondContact N-O 2.85Å; A90-D134 PolarHBondContact O-N 3.37Å
91I97.4Very high91.6Very high4 Ų469.2 Ų69.22%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-89.7130.3170-61.1174.6000107.6F93 L103 K104 I106 Q125 F127 D131 L133I91-F93 HydrophobicContact CG2-CB 4.46Å; I91-F93 HydrophobicContact CG2-CD1 4.17Å; I91-L103 WeakPolarHBondContact O-CA 3.3Å; I91-K104 PolarHBondContact N-O 2.9Å; I91-K104 PolarHBondContact O-N 2.83Å; I91-I106 HydrophobicContact CD1-CD1 4.3Å; I91-I106 HydrophobicContact CD1-CG2 3.73Å; I91-I106 HydrophobicContact CG1-CD1 4.01Å; I91-I106 HydrophobicContact CG1-CG2 3.79Å; I91-Q125 HydrophobicContact CD1-CB 3.98Å; I91-F127 HydrophobicContact CD1-CB 3.91Å; I91-F127 HydrophobicContact CD1-CD2 4.15Å; I91-F127 HydrophobicContact CG1-CD2 4.26Å; I91-F127 HydrophobicContact CG2-CD2 4.15Å; I91-D131 HydrophobicContact CG2-CB 3.81Å; I91-L133 HydrophobicContact CG1-CD1 4.4Å
92V95.8Very high91.6Very high0 Ų067 Ų670%032%0.324CS..EExtended strand (participates in β ladder)trans-108.9116.7173.9-177.80000108.1F46 Y101 K102 L103 Y132 D134F46-V92 HydrophobicContact CB-CG1 4.4Å; F46-V92 HydrophobicContact CD1-CG1 4.18Å; F46-V92 HydrophobicContact CD2-CG1 3.82Å; F46-V92 HydrophobicContact CE1-CG1 4.41Å; F46-V92 HydrophobicContact CE2-CG1 4.06Å; F46-V92 HydrophobicContact CE2-CG2 4.12Å; F46-V92 HydrophobicContact CG-CG1 3.87Å; F46-V92 HydrophobicContact CZ-CG1 4.36Å; F46-V92 HydrophobicContact CZ-CG2 4.17Å; V92-Y101 HydrophobicContact CG1-CD1 3.87Å; V92-Y101 HydrophobicContact CG1-CG 4.26Å; V92-K102 CarbonylContact C-O 3.49Å; V92-K102 VanDerWaalsContact CA-O 3.28Å; V92-K102 WeakPolarHBondContact CA-O 3.47Å; V92-L103 HydrophobicContact CG2-CB 4.47Å; V92-L103 HydrophobicContact CG2-CD1 3.78Å; V92-L103 HydrophobicContact CG2-CG 4.09Å; V92-Y132 HydrophobicContact CG1-CD2 4.38Å; V92-Y132 PolarHBondContact N-O 3.37Å; V92-Y132 PolarHBondContact O-N 3.09Å; V92-D134 HydrophobicContact CG2-CB 3.81Å
93F94.1Very high91.6Very high59 Ų5964.4 Ų64.426%0.25932%0.315SS..EExtended strand (participates in β ladder)trans-134.8148.1-172.160.7-83.4000110.5I91 Y101 K102 K104 D131I91-F93 HydrophobicContact CG2-CB 4.46Å; I91-F93 HydrophobicContact CG2-CD1 4.17Å; F93-Y101 CarbonylContact O-C 3.52Å; F93-Y101 WeakPolarHBondContact O-CA 3.32Å; F93-K102 HydrophobicContact CD2-CB 4.42Å; F93-K102 HydrophobicContact CE1-CB 3.97Å; F93-K102 HydrophobicContact CE2-CB 3.87Å; F93-K102 HydrophobicContact CE2-CD 4.26Å; F93-K102 HydrophobicContact CZ-CB 3.62Å; F93-K102 HydrophobicContact CZ-CD 4.31Å; F93-K102 PolarHBondContact N-O 2.7Å; F93-K102 PolarHBondContact O-N 3.13Å; F93-K104 HydrophobicContact CE1-CB 3.78Å; F93-D131 HydrophobicContact CB-CB 4.45Å; F93-D131 WeakPolarHBondContact CB-OD1 3.49Å
94P91.5Very high91.7Very high68 Ų6861.1 Ų61.144%0.44230%0.301SS..EExtended strand (participates in β ladder)trans-68.3136.2177.128.2-33.6000110.7P96 Y101P94-P96 WeakPolarHBondContact O-CD 3.44Å; P94-Y101 HydrophobicContact CB-CD1 4.43Å; P94-Y101 HydrophobicContact CB-CE1 4.2Å
95D87.9Confident91.9Very high20 Ų2063.6 Ų63.611%0.10731%0.306CS..  trans-75.3121.3168.6-173.8-10.5000109.1R97 V98 M100 K102D95-R97 PolarHBondContact O-N 3.45Å; D95-R97 WeakPolarHBondContact OD1-CB 3.34Å; D95-R97 PolarHBondContact OD1-N 2.86Å; D95-V98 HydrophobicContact CB-CB 4.4Å; D95-M100 WeakPolarHBondContact CB-O 3.45Å; D95-M100 PolarHBondContact N-O 2.85Å; D95-K102 HydrophobicContact CB-CD 4.14Å; D95-K102 HydrophobicContact CB-CG 4.29Å; D95-K102 VanDerWaalsContact CG-NZ 3.34Å; D95-K102 IonicContact OD1-NZ 3.84Å; D95-K102 WeakPolarHBondContact OD2-CE 3Å; D95-K102 IonicContact OD2-NZ 3.44Å; D95-K102 PolarHBondContact OD2-NZ 2.87Å
96P83.3Confident92Very high127 Ų12763.8 Ų63.883%0.82531%0.307SS*.SBendtrans-66.1-20.217725.3-33.8000113.1P94P94-P96 WeakPolarHBondContact O-CD 3.44Å
97R85.9Confident92Very high232 Ų23262.8 Ų62.888%0.87531%0.306SS*.SBendtrans-91.1-26.5-177.1-59-178.1-176.7-174.70.6113.3D95D95-R97 PolarHBondContact O-N 3.45Å; D95-R97 WeakPolarHBondContact OD1-CB 3.34Å; D95-R97 PolarHBondContact OD1-N 2.86Å
98V82.2Confident92Very high76 Ų7664.1 Ų64.146%0.46132%0.315SS..SBendtrans-133.7138.6-173.7-172.20000107.6D95 M100D95-V98 HydrophobicContact CB-CB 4.4Å; V98-M100 HydrophobicContact CG1-CB 4.12Å; V98-M100 HydrophobicContact CG1-CG 4.08Å; V98-M100 HydrophobicContact CG1-SD 4.28Å; V98-M100 PolarHBondContact O-N 2.87Å
99K80.5Confident92Very high217 Ų21763.4 Ų63.494%0.94331%0.31SS*.SBendtrans-71.352.8176.7-64-175.5-180-177.70112.6
100M86.1Confident91.9Very high114 Ų11465.3 Ų65.356%0.56232%0.321SS*.SBendtrans-138.6151.2-177.5-79.2-173.8146.300109.8D95 V98D95-M100 WeakPolarHBondContact CB-O 3.45Å; D95-M100 PolarHBondContact N-O 2.85Å; V98-M100 HydrophobicContact CG1-CB 4.12Å; V98-M100 HydrophobicContact CG1-CG 4.08Å; V98-M100 HydrophobicContact CG1-SD 4.28Å; V98-M100 PolarHBondContact O-N 2.87Å
101Y91.2Very high91.8Very high51 Ų5165.4 Ų65.420%0.232%0.322CS..EExtended strand (participates in β ladder)trans-84.6150.4170.1-75.7-99.3000110.4S43 F46 V92 F93 P94 Y132S43-Y101 WeakPolarHBondContact CB-O 3.36Å; F46-Y101 HydrophobicContact CB-CD1 4.32Å; F46-Y101 HydrophobicContact CB-CD2 3.8Å; F46-Y101 HydrophobicContact CB-CE2 4.32Å; F46-Y101 HydrophobicContact CB-CG 3.79Å; F46-Y101 WeakPolarHBondContact O-CD2 3.26Å; F46-Y101 WeakPolarHBondContact O-CE2 3.37Å; V92-Y101 HydrophobicContact CG1-CD1 3.87Å; V92-Y101 HydrophobicContact CG1-CG 4.26Å; F93-Y101 CarbonylContact O-C 3.52Å; F93-Y101 WeakPolarHBondContact O-CA 3.32Å; P94-Y101 HydrophobicContact CB-CD1 4.43Å; P94-Y101 HydrophobicContact CB-CE1 4.2Å; Y101-Y132 HydrophobicContact CD1-CE2 4.37Å; Y101-Y132 HydrophobicContact CE1-CD2 4.09Å; Y101-Y132 AromaticContact CE1-CE2 3.58Å; Y101-Y132 HydrophobicContact CE1-CE2 3.58Å; Y101-Y132 AromaticContact CZ-CE2 3.91Å
102K92Very high91.5Very high97 Ų9768.1 Ų68.142%0.42235%0.351SS..EExtended strand (participates in β ladder)trans-116.2151.5170.5-76.6-179.6176.5165.30109.6V92 F93 D95V92-K102 CarbonylContact C-O 3.49Å; V92-K102 VanDerWaalsContact CA-O 3.28Å; V92-K102 WeakPolarHBondContact CA-O 3.47Å; F93-K102 HydrophobicContact CD2-CB 4.42Å; F93-K102 HydrophobicContact CE1-CB 3.97Å; F93-K102 HydrophobicContact CE2-CB 3.87Å; F93-K102 HydrophobicContact CE2-CD 4.26Å; F93-K102 HydrophobicContact CZ-CB 3.62Å; F93-K102 HydrophobicContact CZ-CD 4.31Å; F93-K102 PolarHBondContact N-O 2.7Å; F93-K102 PolarHBondContact O-N 3.13Å; D95-K102 HydrophobicContact CB-CD 4.14Å; D95-K102 HydrophobicContact CB-CG 4.29Å; D95-K102 VanDerWaalsContact CG-NZ 3.34Å; D95-K102 IonicContact OD1-NZ 3.84Å; D95-K102 WeakPolarHBondContact OD2-CE 3Å; D95-K102 IonicContact OD2-NZ 3.44Å; D95-K102 PolarHBondContact OD2-NZ 2.87Å
103L93.6Very high91.3Very high58 Ų5876.5 Ų76.530%0.30438%0.382SS..EExtended strand (participates in β ladder)trans-116.2130.6177.6-169.7143.9000108.8H40 H41 A90 I91 V92 E105H40-L103 HydrophobicContact CB-CD1 3.69Å; H40-L103 HydrophobicContact CB-CD2 4.26Å; H41-L103 WeakPolarHBondContact O-CD1 3.47Å; A90-L103 HydrophobicContact CB-CD1 4.13Å; A90-L103 HydrophobicContact CB-CD2 3.42Å; A90-L103 VanDerWaalsContact CB-CD2 3.42Å; A90-L103 HydrophobicContact CB-CG 3.66Å; I91-L103 WeakPolarHBondContact O-CA 3.3Å; V92-L103 HydrophobicContact CG2-CB 4.47Å; V92-L103 HydrophobicContact CG2-CD1 3.78Å; V92-L103 HydrophobicContact CG2-CG 4.09Å; L103-E105 HydrophobicContact CD2-CG 4.12Å
104K95.3Very high91.3Very high84 Ų8483 Ų8337%0.36541%0.41SS..EExtended strand (participates in β ladder)trans-125.9111.3176.2173.8-169.4171.6-163.20108.7A90 I91 F93 I106 Q125A90-K104 CarbonylContact C-O 3.54Å; A90-K104 WeakPolarHBondContact CA-O 3.17Å; A90-K104 WeakPolarHBondContact CB-O 3.49Å; I91-K104 PolarHBondContact N-O 2.9Å; I91-K104 PolarHBondContact O-N 2.83Å; F93-K104 HydrophobicContact CE1-CB 3.78Å; K104-I106 HydrophobicContact CG-CG2 4.44Å; K104-I106 PolarHBondContact O-N 3.46Å; K104-Q125 PolarHBondContact NZ-O 3.34Å
105E95.8Very high91.3Very high74 Ų7481.1 Ų81.135%0.34640%0.404SS..EExtended strand (participates in β ladder)trans-65.3129.2171.3-67.3179.5-169.400110.6H40 F89 A90 L103H40-E105 IonicContact CD2-OE1 2.82Å; F89-E105 WeakPolarHBondContact O-CA 3.49Å; A90-E105 HydrophobicContact CB-CG 4.27Å; L103-E105 HydrophobicContact CD2-CG 4.12Å
106I96.2Very high91.5Very high7 Ų788.1 Ų88.14%0.03644%0.44CS..EExtended strand (participates in β ladder)trans-111.3-27.4-173.857.4166.5000113.7L66 F89 I91 K104 Q125 L133L66-I106 HydrophobicContact CD2-CD1 3.85Å; F89-I106 HydrophobicContact CB-CD1 4Å; F89-I106 HydrophobicContact CB-CG1 3.62Å; F89-I106 WeakPolarHBondContact O-CG1 3.34Å; F89-I106 PolarHBondContact O-N 3.11Å; I91-I106 HydrophobicContact CD1-CD1 4.3Å; I91-I106 HydrophobicContact CD1-CG2 3.73Å; I91-I106 HydrophobicContact CG1-CD1 4.01Å; I91-I106 HydrophobicContact CG1-CG2 3.79Å; K104-I106 HydrophobicContact CG-CG2 4.44Å; K104-I106 PolarHBondContact O-N 3.46Å; I106-Q125 HydrophobicContact CB-CB 4.18Å; I106-Q125 HydrophobicContact CB-CG 3.84Å; I106-Q125 HydrophobicContact CD1-CB 4.41Å; I106-Q125 HydrophobicContact CD1-CG 4.2Å; I106-Q125 HydrophobicContact CG2-CB 3.82Å; I106-Q125 HydrophobicContact CG2-CG 4.05Å; I106-L133 HydrophobicContact CD1-CD1 4.15Å
107G95.7Very high92.1Very high11 Ų1183.9 Ų83.911%0.11341%0.411CS..EExtended strand (participates in β ladder)trans166.5-177.2-179.300000112.3F89 D117F89-G107 WeakPolarHBondContact CB-O 3.47Å; F89-G107 PolarHBondContact N-O 2.83Å; G107-D117 WeakPolarHBondContact CA-OD2 3.39Å
108S96.3Very high92.6Very high28 Ų2873.6 Ų73.620%0.19637%0.373CS..EExtended strand (participates in β ladder)trans-147.1152.6178.4680000114.3H86 F87 D117H86-S108 VanDerWaalsContact CE1-CB 3.49Å; H86-S108 WeakPolarHBondContact CE1-CB 3.48Å; H86-S108 WeakPolarHBondContact NE2-CB 3.47Å; H86-S108 PolarHBondContact NE2-OG 2.95Å; H86-S108 VanDerWaalsContact NE2-OG 3.13Å; F87-S108 CarbonylContact O-C 3.6Å; F87-S108 WeakPolarHBondContact O-CA 3.36Å; F87-S108 WeakPolarHBondContact O-CB 3.4Å; S108-D117 PolarHBondContact N-OD2 2.78Å; S108-D117 WeakPolarHBondContact O-CB 3.25Å
109T96.7Very high93.2Very high5 Ų573.5 Ų73.53%0.03138%0.38CS..EExtended strand (participates in β ladder)trans-127.7161.3175.170.30000110.8L66 T70 F87 F89L66-T109 HydrophobicContact CB-CG2 3.64Å; T70-T109 PolarHBondContact OG1-OG1 3.47Å; F87-T109 PolarHBondContact N-O 3.21Å; F87-T109 PolarHBondContact O-N 3.02Å; F89-T109 HydrophobicContact CE2-CG2 4.02Å
110V95.6Very high93.9Very high40 Ų4065.9 Ų65.924%0.24235%0.349CS..EExtended strand (participates in β ladder)trans-129.7131.4179.8179.90000110.9T85 G112 R113T85-V110 CarbonylContact O-C 3.57Å; T85-V110 WeakPolarHBondContact O-CA 3.39Å; V110-G112 PolarHBondContact O-N 2.97Å; V110-G112 VanDerWaalsContact O-N 3.16Å; V110-R113 HydrophobicContact CB-CB 4.19Å; V110-R113 HydrophobicContact CG1-CB 4.15Å; V110-R113 HydrophobicContact CG1-CG 4.29Å; V110-R113 PolarHBondContact O-N 3.16Å
111S94.1Very high94.5Very high1 Ų161.5 Ų61.51%0.00733%0.328CS..THydrogen-bonded Turntrans-57.2119.4173.9-83.80000112.1K74 A80 K82 K83 G84 T85 F87 R113K74-S111 WeakPolarHBondContact CE-OG 3.28Å; K74-S111 PolarHBondContact NZ-OG 2.85Å; A80-S111 PolarHBondContact O-OG 2.77Å; K82-S111 WeakPolarHBondContact O-CB 3.42Å; K83-S111 WeakPolarHBondContact CA-O 3.17Å; G84-S111 PolarHBondContact N-O 3.27Å; T85-S111 PolarHBondContact O-N 3.48Å; F87-S111 WeakPolarHBondContact CE2-OG 3.44Å; S111-R113 VanDerWaalsContact C-N 3.33Å
112G91.3Very high94.7Very high61 Ų6159 Ų5963%0.62932%0.319SS*.THydrogen-bonded Turntrans75.217.117600000114.6V110V110-G112 PolarHBondContact O-N 2.97Å; V110-G112 VanDerWaalsContact O-N 3.16Å
113R92.2Very high94.8Very high177 Ų17757.7 Ų57.767%0.66831%0.314SS*.BIsolated β-bridgetrans-136.4138170.7-65.2-174.6178-178.7-0.6109.5V110 S111V110-R113 HydrophobicContact CB-CB 4.19Å; V110-R113 HydrophobicContact CG1-CB 4.15Å; V110-R113 HydrophobicContact CG1-CG 4.29Å; V110-R113 PolarHBondContact O-N 3.16Å; S111-R113 VanDerWaalsContact C-N 3.33Å
114K93.3Very high94.9Very high194 Ų19456.5 Ų56.584%0.84331%0.31SS*.  trans-78124.6174.1-172.3177.9178.5-177.40109.1D118K114-D118 WeakPolarHBondContact CA-OD2 3.2Å
115G92.7Very high94.9Very high29 Ų2954.2 Ų54.230%0.29930%0.301SS..  trans-101167.9175.500000112.8D118G115-D118 WeakPolarHBondContact CA-OD1 3.5Å; G115-D118 PolarHBondContact N-OD1 2.97Å; G115-D118 PolarHBondContact N-OD2 2.79Å
116L92.3Very high94.8Very high167 Ų16760 Ų6087%0.87432%0.32SS*.SBendtrans-72.6-36.5170.5-64.5174.5000111.1D118L116-D118 VanDerWaalsContact C-N 3.26Å; L116-D118 PolarHBondContact O-N 2.67Å
117D96.1Very high94.8Very high39 Ų3960.1 Ų60.121%0.20932%0.32CS..G310 helixtrans-80.5-7.1-176.7-48.7-22.4000112.6L66 G107 S108 A119 M120L66-D117 HydrophobicContact CD1-CB 4.04Å; G107-D117 WeakPolarHBondContact CA-OD2 3.39Å; S108-D117 PolarHBondContact N-OD2 2.78Å; S108-D117 WeakPolarHBondContact O-CB 3.25Å; D117-A119 PolarHBondContact O-N 2.78Å; D117-A119 VanDerWaalsContact O-N 3.09Å; D117-M120 HydrophobicContact CB-CE 4.02Å; D117-M120 HydrophobicContact CB-CG 4.26Å; D117-M120 HydrophobicContact CB-SD 3.75Å; D117-M120 WeakPolarHBondContact O-CB 3.45Å; D117-M120 PolarHBondContact O-N 2.83Å; D117-M120 WeakPolarHBondContact OD1-CE 3.43Å
118D95.3Very high94.8Very high15 Ų1566 Ų668%0.0835%0.345CS..G310 helixtrans-53.6-34.4-178-77.811.3000112.7T65 K67 K114 G115 L116T65-D118 WeakPolarHBondContact CB-O 3.26Å; K67-D118 HydrophobicContact CB-CB 4.07Å; K67-D118 VanDerWaalsContact CB-O 3.3Å; K67-D118 WeakPolarHBondContact CB-O 3.21Å; K67-D118 HydrophobicContact CD-CB 4.3Å; K67-D118 PolarHBondContact N-O 2.89Å; K114-D118 WeakPolarHBondContact CA-OD2 3.2Å; G115-D118 WeakPolarHBondContact CA-OD1 3.5Å; G115-D118 PolarHBondContact N-OD1 2.97Å; G115-D118 PolarHBondContact N-OD2 2.79Å; L116-D118 VanDerWaalsContact C-N 3.26Å; L116-D118 PolarHBondContact O-N 2.67Å
119A95.6Very high94.8Very high75 Ų7571.2 Ų71.262%0.6237%0.369SS*.G310 helixtrans-93.5-1.4-178.200000113.6D117 T121D117-A119 PolarHBondContact O-N 2.78Å; D117-A119 VanDerWaalsContact O-N 3.09Å; A119-T121 PolarHBondContact O-N 3.03Å
120M95.8Very high94.6Very high56 Ų5673.5 Ų73.528%0.27639%0.393SS..  trans-66.5131.1176-68.7-178-177.500109.8T65 L66 D117T65-M120 CarbonylContact C-O 3.45Å; T65-M120 VanDerWaalsContact CA-O 3.25Å; T65-M120 WeakPolarHBondContact CA-O 2.91Å; L66-M120 HydrophobicContact CD1-CB 4.17Å; L66-M120 HydrophobicContact CG-CB 4.12Å; L66-M120 PolarHBondContact N-O 2.7Å; D117-M120 HydrophobicContact CB-CE 4.02Å; D117-M120 HydrophobicContact CB-CG 4.26Å; D117-M120 HydrophobicContact CB-SD 3.75Å; D117-M120 WeakPolarHBondContact O-CB 3.45Å; D117-M120 PolarHBondContact O-N 2.83Å; D117-M120 WeakPolarHBondContact OD1-CE 3.43Å
121T96.7Very high94.6Very high22 Ų2272.5 Ų72.514%0.13539%0.386CS..BIsolated β-bridgetrans-99.9159.4-179.763.60000111.4E17 D63 A64 T65 A119 Q123 S124 Q125E17-T121 PolarHBondContact OE2-OG1 2.8Å; D63-T121 VanDerWaalsContact O-CG2 3.31Å; D63-T121 WeakPolarHBondContact O-CG2 3.43Å; A64-T121 CarbonylContact O-C 3.47Å; A64-T121 VanDerWaalsContact O-CA 3.24Å; A64-T121 WeakPolarHBondContact O-CA 3.32Å; T65-T121 HydrophobicContact CG2-CG2 4.08Å; A119-T121 PolarHBondContact O-N 3.03Å; T121-Q123 PolarHBondContact O-N 3.17Å; T121-S124 PolarHBondContact N-OG 2.87Å; T121-S124 VanDerWaalsContact N-OG 3.13Å; T121-S124 PolarHBondContact O-N 2.83Å; T121-S124 PolarHBondContact O-OG 3.23Å; T121-S124 VanDerWaalsContact OG1-CB 3.29Å; T121-S124 WeakPolarHBondContact OG1-CB 3.44Å; T121-S124 PolarHBondContact OG1-N 3.34Å; T121-S124 PolarHBondContact OG1-OG 2.62Å; T121-Q125 WeakPolarHBondContact O-CG 3.38Å; T121-Q125 PolarHBondContact O-N 3.33Å
122L96.1Very high94.7Very high0 Ų073.9 Ų73.90%039%0.392CS..THydrogen-bonded Turntrans-55.5-42.4171.3-64.7176.2000111.7L30 T60 M62 A64 L69 S124 Q125 R126 F127 L133L30-L122 HydrophobicContact CD1-CD1 4.47Å; L30-L122 HydrophobicContact CD2-CD1 4.13Å; T60-L122 HydrophobicContact CG2-CD1 4.28Å; M62-L122 PolarHBondContact O-N 2.81Å; A64-L122 HydrophobicContact CB-CD1 4.11Å; A64-L122 HydrophobicContact CB-CG 4.43Å; A64-L122 PolarHBondContact O-N 2.86Å; A64-L122 VanDerWaalsContact O-N 3.1Å; L69-L122 HydrophobicContact CD1-CD2 4.07Å; L69-L122 HydrophobicContact CD1-CG 4.45Å; L122-S124 PolarHBondContact O-N 2.95Å; L122-Q125 PolarHBondContact O-N 2.86Å; L122-R126 PolarHBondContact O-N 3.11Å; L122-F127 HydrophobicContact CB-CB 3.89Å; L122-F127 HydrophobicContact CB-CD1 4.3Å; L122-F127 HydrophobicContact CB-CG 4.18Å; L122-F127 HydrophobicContact CD1-CD1 4.42Å; L122-F127 HydrophobicContact CD2-CB 4.48Å; L122-F127 HydrophobicContact CD2-CD2 4.37Å; L122-F127 HydrophobicContact CD2-CG 4.32Å; L122-F127 VanDerWaalsContact O-CB 3.26Å; L122-F127 WeakPolarHBondContact O-CB 3.19Å; L122-F127 PolarHBondContact O-N 2.72Å; L122-F127 VanDerWaalsContact O-N 3.09Å; L122-L133 HydrophobicContact CD2-CD1 4.47Å
123Q95.1Very high95Very high69 Ų6971 Ų7132%0.32236%0.362SS..THydrogen-bonded Turntrans-59.2-45.5176.8-171.2171.2-5.400112.1E17 M62 T121 Q125 R126E17-Q123 HydrophobicContact CG-CG 4.35Å; M62-Q123 HydrophobicContact CB-CB 4.15Å; M62-Q123 VanDerWaalsContact O-CB 3.3Å; M62-Q123 WeakPolarHBondContact O-CB 3.15Å; M62-Q123 PolarHBondContact O-N 3.49Å; T121-Q123 PolarHBondContact O-N 3.17Å; Q123-Q125 PolarHBondContact O-N 2.89Å; Q123-Q125 VanDerWaalsContact O-N 3.15Å; Q123-R126 PolarHBondContact O-N 2.91Å
124S94.3Very high95.2Very high32 Ų3262.5 Ų62.522%0.22433%0.33CS..THydrogen-bonded Turntrans-60.7-29.5-178.974.90000112.7E17 T121 L122E17-S124 VanDerWaalsContact OE1-CA 3.26Å; E17-S124 WeakPolarHBondContact OE1-CA 3.46Å; E17-S124 WeakPolarHBondContact OE2-CA 3.42Å; E17-S124 PolarHBondContact OE2-N 2.72Å; E17-S124 VanDerWaalsContact OE2-N 3.14Å; T121-S124 PolarHBondContact N-OG 2.87Å; T121-S124 VanDerWaalsContact N-OG 3.13Å; T121-S124 PolarHBondContact O-N 2.83Å; T121-S124 PolarHBondContact O-OG 3.23Å; T121-S124 VanDerWaalsContact OG1-CB 3.29Å; T121-S124 WeakPolarHBondContact OG1-CB 3.44Å; T121-S124 PolarHBondContact OG1-N 3.34Å; T121-S124 PolarHBondContact OG1-OG 2.62Å; L122-S124 PolarHBondContact O-N 2.95Å
125Q95.3Very high95.4Very high36 Ų3653.3 Ų53.317%0.16829%0.29CS..THydrogen-bonded Turntrans-923.3-178.1-59.8-56.1-42.300114.2I91 K104 I106 T121 L122 Q123 F127I91-Q125 HydrophobicContact CD1-CB 3.98Å; K104-Q125 PolarHBondContact NZ-O 3.34Å; I106-Q125 HydrophobicContact CB-CB 4.18Å; I106-Q125 HydrophobicContact CB-CG 3.84Å; I106-Q125 HydrophobicContact CD1-CB 4.41Å; I106-Q125 HydrophobicContact CD1-CG 4.2Å; I106-Q125 HydrophobicContact CG2-CB 3.82Å; I106-Q125 HydrophobicContact CG2-CG 4.05Å; T121-Q125 WeakPolarHBondContact O-CG 3.38Å; T121-Q125 PolarHBondContact O-N 3.33Å; L122-Q125 PolarHBondContact O-N 2.86Å; Q123-Q125 PolarHBondContact O-N 2.89Å; Q123-Q125 VanDerWaalsContact O-N 3.15Å; Q125-F127 VanDerWaalsContact C-N 3.34Å
126R94.3Very high95.5Very high196 Ų19652 Ų5274%0.7428%0.276SS*.THydrogen-bonded Turntrans62.136.7-177.5-52.2-178.1179.6177.2-1.3113.2L122 Q123L122-R126 PolarHBondContact O-N 3.11Å; Q123-R126 PolarHBondContact O-N 2.91Å
127F96.2Very high95.6Very high9 Ų944.7 Ų44.74%0.03924%0.238CC..  trans-58.8143.7168.7179.9-95.7000110.4L28 L30 M62 I91 L122 Q125 D131L28-F127 HydrophobicContact CD1-CE1 4.37Å; L30-F127 HydrophobicContact CD1-CE1 4.12Å; L30-F127 HydrophobicContact CD1-CE2 3.68Å; L30-F127 HydrophobicContact CD1-CZ 3.35Å; M62-F127 HydrophobicContact CE-CB 4.31Å; M62-F127 HydrophobicContact CE-CD1 4.05Å; M62-F127 WeakPolarHBondContact CE-O 3.22Å; M62-F127 HydrophobicContact SD-CD1 3.83Å; M62-F127 HydrophobicContact SD-CE1 4.43Å; I91-F127 HydrophobicContact CD1-CB 3.91Å; I91-F127 HydrophobicContact CD1-CD2 4.15Å; I91-F127 HydrophobicContact CG1-CD2 4.26Å; I91-F127 HydrophobicContact CG2-CD2 4.15Å; L122-F127 HydrophobicContact CB-CB 3.89Å; L122-F127 HydrophobicContact CB-CD1 4.3Å; L122-F127 HydrophobicContact CB-CG 4.18Å; L122-F127 HydrophobicContact CD1-CD1 4.42Å; L122-F127 HydrophobicContact CD2-CB 4.48Å; L122-F127 HydrophobicContact CD2-CD2 4.37Å; L122-F127 HydrophobicContact CD2-CG 4.32Å; L122-F127 VanDerWaalsContact O-CB 3.26Å; L122-F127 WeakPolarHBondContact O-CB 3.19Å; L122-F127 PolarHBondContact O-N 2.72Å; L122-F127 VanDerWaalsContact O-N 3.09Å; Q125-F127 VanDerWaalsContact C-N 3.34Å; F127-D131 HydrophobicContact CD2-CB 3.8Å; F127-D131 HydrophobicContact CE2-CB 3.48Å; F127-D131 VanDerWaalsContact CE2-CB 3.48Å; F127-D131 HydrophobicContact CZ-CB 4.07Å; F127-D131 WeakPolarHBondContact CZ-O 3.29Å
128Q95.9Very high95.5Very high136 Ų13643 Ų4364%0.63623%0.229SC*.  trans-121.7147.5172.5-62.6-171.7-11.400110.5G130 D131Q128-G130 PolarHBondContact O-N 3.48Å; Q128-D131 PolarHBondContact N-OD2 3.42Å; Q128-D131 VanDerWaalsContact O-CB 3.22Å; Q128-D131 WeakPolarHBondContact O-CB 3.5Å; Q128-D131 PolarHBondContact O-N 3.19Å
129I95.1Very high95.3Very high136 Ų13645.2 Ų45.270%0.69724%0.244SC*.THydrogen-bonded Turntrans-61.9125.1174.3-59.7173.7000108.4L28L28-I129 HydrophobicContact CB-CD1 4.46Å; L28-I129 HydrophobicContact CB-CG1 4.5Å; L28-I129 HydrophobicContact CD2-CG1 4.32Å
130G92.8Very high94.8Very high53 Ų5343.7 Ų43.755%0.54623%0.228SC..THydrogen-bonded Turntrans107.6-19.5-172.300000113.3Q128Q128-G130 PolarHBondContact O-N 3.48Å
131D95.9Very high93.7Very high19 Ų1948.1 Ų48.110%0.10225%0.253CS..  trans-67.9153.3166.5-63.8-19.1000110.1I91 F93 F127 Q128I91-D131 HydrophobicContact CG2-CB 3.81Å; F93-D131 HydrophobicContact CB-CB 4.45Å; F93-D131 WeakPolarHBondContact CB-OD1 3.49Å; F127-D131 HydrophobicContact CD2-CB 3.8Å; F127-D131 HydrophobicContact CE2-CB 3.48Å; F127-D131 VanDerWaalsContact CE2-CB 3.48Å; F127-D131 HydrophobicContact CZ-CB 4.07Å; F127-D131 WeakPolarHBondContact CZ-O 3.29Å; Q128-D131 PolarHBondContact N-OD2 3.42Å; Q128-D131 VanDerWaalsContact O-CB 3.22Å; Q128-D131 WeakPolarHBondContact O-CB 3.5Å; Q128-D131 PolarHBondContact O-N 3.19Å
132Y96.6Very high92.3Very high30 Ų3053.5 Ų53.512%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-101.3155.8171.1-47.1-45.3000110.6R31 F33 F46 V51 V92 Y101R31-Y132 HydrophobicContact CB-CD1 4.13Å; R31-Y132 PolarHBondContact NH1-OH 3.18Å; F33-Y132 HydrophobicContact CD2-CG 4.44Å; F33-Y132 HydrophobicContact CE2-CD1 4.11Å; F33-Y132 HydrophobicContact CE2-CD2 4.18Å; F33-Y132 AromaticContact CE2-CG 3.77Å; F33-Y132 HydrophobicContact CE2-CG 3.77Å; F46-Y132 AromaticContact CD1-CD2 3.7Å; F46-Y132 HydrophobicContact CD1-CD2 3.7Å; F46-Y132 HydrophobicContact CD1-CE2 4.1Å; F46-Y132 HydrophobicContact CE1-CD2 4.07Å; V51-Y132 HydrophobicContact CG1-CE2 4.3Å; V92-Y132 HydrophobicContact CG1-CD2 4.38Å; V92-Y132 PolarHBondContact N-O 3.37Å; V92-Y132 PolarHBondContact O-N 3.09Å; Y101-Y132 HydrophobicContact CD1-CE2 4.37Å; Y101-Y132 HydrophobicContact CE1-CD2 4.09Å; Y101-Y132 AromaticContact CE1-CE2 3.58Å; Y101-Y132 HydrophobicContact CE1-CE2 3.58Å; Y101-Y132 AromaticContact CZ-CE2 3.91Å
133L97.5Very high90.5Very high0 Ų057.7 Ų57.70%031%0.305CS..EExtended strand (participates in β ladder)trans-107.6131.6169.8-169.371.8000109.2L30 R31 V32 F33 L69 F89 I91 I106 L122 I135L30-L133 HydrophobicContact CD1-CB 4.15Å; L30-L133 HydrophobicContact CD2-CD2 4.09Å; R31-L133 PolarHBondContact O-N 3.36Å; V32-L133 CarbonylContact C-O 3.59Å; V32-L133 VanDerWaalsContact CA-O 3.27Å; V32-L133 WeakPolarHBondContact CA-O 3.44Å; V32-L133 HydrophobicContact CG1-CD2 4.35Å; V32-L133 HydrophobicContact CG2-CB 4.21Å; V32-L133 HydrophobicContact CG2-CD2 4.11Å; F33-L133 PolarHBondContact N-O 2.77Å; L69-L133 HydrophobicContact CD1-CD2 3.7Å; F89-L133 HydrophobicContact CD1-CD1 4.35Å; F89-L133 HydrophobicContact CD1-CD2 4.06Å; F89-L133 HydrophobicContact CD1-CG 4.41Å; F89-L133 HydrophobicContact CE1-CD2 4.32Å; I91-L133 HydrophobicContact CG1-CD1 4.4Å; I106-L133 HydrophobicContact CD1-CD1 4.15Å; L122-L133 HydrophobicContact CD2-CD1 4.47Å; L133-I135 HydrophobicContact CD2-CD1 4.11Å; L133-I135 HydrophobicContact CD2-CG1 4.28Å; L133-I135 HydrophobicContact CG-CG1 4.29Å
134D97.1Very high88.9Confident0 Ų058 Ų580%031%0.313CS..EExtended strand (participates in β ladder)trans-114.6129.3175.3-168.965.5000110F33 H40 H41 A90 V92F33-D134 CarbonylContact O-C 3.32Å; F33-D134 WeakPolarHBondContact O-CA 3.4Å; H40-D134 WeakPolarHBondContact CA-OD2 3.19Å; H40-D134 VanDerWaalsContact CB-OD2 3.25Å; H40-D134 WeakPolarHBondContact CB-OD2 3.36Å; H40-D134 PolarHBondContact CE1-O 3.44Å; H40-D134 IonicContact CE1-OD2 2.62Å; H40-D134 IonicContact CG-OD2 3.72Å; H40-D134 IonicContact ND1-OD2 3.82Å; H40-D134 PolarHBondContact ND1-OD2 2.69Å; H41-D134 IonicContact CE1-OD1 3.36Å; H41-D134 IonicContact CG-OD1 2.72Å; H41-D134 PolarHBondContact N-OD2 3.17Å; H41-D134 VanDerWaalsContact N-OD2 3.11Å; H41-D134 IonicContact ND1-OD1 3.89Å; H41-D134 PolarHBondContact ND1-OD1 2.62Å; A90-D134 HydrophobicContact CB-CB 4.5Å; A90-D134 PolarHBondContact N-O 2.85Å; A90-D134 PolarHBondContact O-N 3.37Å; V92-D134 HydrophobicContact CG2-CB 3.81Å
135I96.6Very high87.2Confident0 Ų060 Ų600%033%0.326CS..EExtended strand (participates in β ladder)trans-123.4110.8-177.3-54.1178.2000109.6V32 F33 T34 T35 V73 F87 S88 F89 L133 I137V32-I135 HydrophobicContact CG1-CD1 3.4Å; V32-I135 HydrophobicContact CG1-CG1 3.81Å; F33-I135 PolarHBondContact O-N 3.49Å; T34-I135 WeakPolarHBondContact CA-O 3.48Å; T34-I135 HydrophobicContact CG2-CB 4.45Å; T35-I135 PolarHBondContact N-O 3.01Å; V73-I135 HydrophobicContact CG2-CD1 3.75Å; F87-I135 HydrophobicContact CB-CG2 4.13Å; F87-I135 HydrophobicContact CD1-CG2 4.04Å; S88-I135 CarbonylContact O-C 3.56Å; S88-I135 VanDerWaalsContact O-CA 3.26Å; S88-I135 WeakPolarHBondContact O-CA 3.44Å; F89-I135 HydrophobicContact CD1-CD1 3.89Å; F89-I135 HydrophobicContact CD1-CG1 3.72Å; F89-I135 HydrophobicContact CE1-CD1 3.4Å; F89-I135 VanDerWaalsContact CE1-CD1 3.4Å; F89-I135 HydrophobicContact CE1-CG1 3.77Å; F89-I135 HydrophobicContact CG-CG1 4.49Å; F89-I135 HydrophobicContact CZ-CD1 4.13Å; L133-I135 HydrophobicContact CD2-CD1 4.11Å; L133-I135 HydrophobicContact CD2-CG1 4.28Å; L133-I135 HydrophobicContact CG-CG1 4.29Å; I135-I137 HydrophobicContact CG2-CG1 4.19Å
136A95.6Very high85.4Confident1 Ų166.5 Ų66.51%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-89.2116.4172.500000110.4T35 S88T35-A136 WeakPolarHBondContact OG1-CA 3.17Å; T35-A136 WeakPolarHBondContact OG1-CB 3.49Å; S88-A136 PolarHBondContact N-O 3.15Å; S88-A136 PolarHBondContact O-N 3.09Å
137I94.7Very high83.6Confident14 Ų1460.8 Ų60.87%0.07234%0.344CS..EExtended strand (participates in β ladder)trans-97.7121.2-178.2-51.5177.3000108.8T34 T35 V73 A80 T85 H86 F87 I135T34-I137 HydrophobicContact CG2-CD1 4.47Å; T35-I137 WeakPolarHBondContact O-CA 3.49Å; T35-I137 WeakPolarHBondContact O-CB 3.3Å; T35-I137 PolarHBondContact O-N 3.3Å; V73-I137 HydrophobicContact CG1-CD1 3.94Å; A80-I137 HydrophobicContact CB-CD1 4.49Å; A80-I137 HydrophobicContact CB-CG2 4.18Å; T85-I137 HydrophobicContact CG2-CG2 3.52Å; H86-I137 WeakPolarHBondContact O-CA 3.41Å; F87-I137 HydrophobicContact CD1-CD1 4.45Å; F87-I137 HydrophobicContact CD1-CG1 3.98Å; F87-I137 HydrophobicContact CD1-CG2 4.48Å; F87-I137 HydrophobicContact CE1-CD1 4.23Å; F87-I137 HydrophobicContact CE1-CG1 4.17Å; F87-I137 HydrophobicContact CE1-CG2 4.24Å; I135-I137 HydrophobicContact CG2-CG1 4.19Å
138T94Very high81.6Confident4 Ų464.1 Ų64.13%0.02537%0.367CS..EExtended strand (participates in β ladder)trans-117.5115.6177.6-51.50000109.8G38 T85 H86 R142G38-T138 WeakPolarHBondContact CA-OG1 3.43Å; T85-T138 CarbonylContact C-O 3.48Å; T85-T138 WeakPolarHBondContact CA-O 3.21Å; H86-T138 PolarHBondContact N-O 2.99Å; H86-T138 PolarHBondContact O-N 2.96Å; T138-R142 HydrophobicContact CG2-CB 3.87Å; T138-R142 HydrophobicContact CG2-CG 4.32Å
139P90.5Very high79.7Confident61 Ų6166.5 Ų66.540%0.39637%0.37SS..  trans-67.2155.6178.527.6-33.8000111.7N141 R142P139-N141 PolarHBondContact O-N 3.44Å; P139-N141 VanDerWaalsContact O-N 3.09Å; P139-R142 HydrophobicContact CG-CB 4.34Å; P139-R142 PolarHBondContact O-N 3.05Å
140P85.6Confident77.4Confident44 Ų4467.6 Ų67.629%0.28637%0.374SS..THydrogen-bonded Turntrans-61.7-24.1-170.521.8-34.2000115.7K82 K83 R142K82-P140 HydrophobicContact CB-CG 4.48Å; K82-P140 HydrophobicContact CD-CG 3.67Å; K82-P140 HydrophobicContact CG-CG 3.88Å; K83-P140 WeakPolarHBondContact O-CB 3.49Å; K83-P140 WeakPolarHBondContact O-CG 3.34Å; P140-R142 VanDerWaalsContact C-N 3.26Å; P140-R142 PolarHBondContact O-N 2.84Å
141N72.4Confident75.3Confident148 Ų14874.9 Ų74.979%0.79139%0.385SS*.THydrogen-bonded Turntrans-83.1-3.2179.6-74.18000113P139P139-N141 PolarHBondContact O-N 3.44Å; P139-N141 VanDerWaalsContact O-N 3.09Å
142R66.2Low73.2Confident136 Ų13679.8 Ų79.851%0.51342%0.418SS..SBendtrans-107.5122.6175.9-157.7177.8-145.4173.16.2106.8S37 T138 P139 P140S37-R142 PolarHBondContact O-NH1 3.27Å; T138-R142 HydrophobicContact CG2-CB 3.87Å; T138-R142 HydrophobicContact CG2-CG 4.32Å; P139-R142 HydrophobicContact CG-CB 4.34Å; P139-R142 PolarHBondContact O-N 3.05Å; P140-R142 VanDerWaalsContact C-N 3.26Å; P140-R142 PolarHBondContact O-N 2.84Å
143A59.7Low71Confident87 Ų8791.7 Ų91.772%0.71947%0.471SS*.PPolyproline II helixtrans-52.6127.8174.300000108.4
144P59.7Low69.7Low75 Ų7596.3 Ų96.349%0.48749%0.494SS..PPolyproline II helixtrans-54.7141173.1-21.131.1000108.6L146P144-L146 PolarHBondContact O-N 3.29Å
145P58.6Low68.3Low76 Ų76101.3 Ų101.349%0.49452%0.52SS..PPolyproline II helixtrans-54134.817124.5-33.3000109.1G38 N147G38-P145 WeakPolarHBondContact O-CG 3.39Å; P145-N147 PolarHBondContact O-N 3.01Å; P145-N147 VanDerWaalsContact O-N 3.15Å
146L58.2Low66.7Low171 Ų171106.9 Ų106.990%0.89555%0.549SS*.PPolyproline II helixtrans-56121.4179.7-75.1161.6000109.2P144 P148P144-L146 PolarHBondContact O-N 3.29Å; L146-P148 WeakPolarHBondContact O-CD 3.39Å
147N55.9Low65Low76 Ų76113.2 Ų113.241%0.40658%0.581SS.*PPolyproline II helixtrans-60.6119.1179.2-157.9-10.1000108.5P145 R149 M150P145-N147 PolarHBondContact O-N 3.01Å; P145-N147 VanDerWaalsContact O-N 3.15Å; N147-R149 PolarHBondContact O-N 3.23Å; N147-M150 PolarHBondContact O-N 3.15Å
148P54Low63.1Low79 Ų79119.4 Ų119.451%0.51361%0.613SS.*G310 helixtrans-62.4-14.8-176.221.4-31.3000113.3L146 M150L146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-M150 PolarHBondContact O-N 2.86Å
149R56.5Low61.1Low187 Ų187127.1 Ų127.171%0.70665%0.652SS**G310 helixtrans-68.6-11171.7-69.3-171.6168.3113.2-1.8114.6N147N147-R149 PolarHBondContact O-N 3.23Å
150M47.8Very low59Low158 Ų158131.8 Ų131.878%0.77867%0.67SS**G310 helixtrans-109.138.4-178.9-67.6-169.671.300113.1N147 P148 P152N147-M150 PolarHBondContact O-N 3.15Å; P148-M150 PolarHBondContact O-N 2.86Å; M150-P152 VanDerWaalsContact O-CD 3.3Å; M150-P152 WeakPolarHBondContact O-CD 2.99Å
151R47.8Very low56.9Low206 Ų206138.5 Ų138.578%0.77770%0.7SS**  trans-84.8114.1166.1-67.5-171.6-172.8-144.52.3108.8
152P52.5Low55.6Low122 Ų122137.8 Ų137.879%0.79269%0.692SS**  trans-65.9132.7158-3.421.4000106.9M150M150-P152 VanDerWaalsContact O-CD 3.3Å; M150-P152 WeakPolarHBondContact O-CD 2.99Å
153F50.5Low54.7Low280 Ų280137.9 Ų137.9100%1.22871%0.709SS**  trans-65.90164.6-69.3-83.4000110

Retrieved 153 of 153 residues in 149.9 ms (Link to these results)

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