A0A087YQ95_POEFO Loading...

SET domain containing 9

AlphaFold DB , UniProt , Accession A0A087YQ95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 199 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
1T39.4Very low42.8Very low184 Ų184164.5 Ų164.5100%1.12982%0.821SS**  0115.104.60000108R3T1-R3 PolarHBondContact O-N 2.81Å
2P35.3Very low44.9Very low112 Ų112157.7 Ų157.773%0.72778%0.784SS**  trans-70.9131.2-179.830.4-30.7000108.9F4P2-F4 PolarHBondContact O-N 2.85Å
3R38Very low47Very low244 Ų244147.5 Ų147.592%0.92174%0.744SS**  trans-76.1115.6170.7-74.2-179.3-176.9174.30.7107.5T1T1-R3 PolarHBondContact O-N 2.81Å
4F35.8Very low49.5Very low188 Ų188140.9 Ų140.983%0.82571%0.712SS**  trans-61.2135.1162.9-70.9-86.5000108.4P2 L6P2-F4 PolarHBondContact O-N 2.85Å; F4-L6 PolarHBondContact O-N 3.16Å
5P39.5Very low52Low115 Ų115135.9 Ų135.975%0.74769%0.691SS**  trans-66136.8175.420.9-20000109.2H7P5-H7 PolarHBondContact O-N 3.25Å; P5-H7 VanDerWaalsContact O-N 3.12Å
6L38.4Very low54.4Low170 Ų170128.4 Ų128.489%0.8965%0.653SS**  trans-54114.8167.4-76.1145.3000107.6F4 Q8F4-L6 PolarHBondContact O-N 3.16Å; L6-Q8 PolarHBondContact O-N 2.98Å
7H41.8Very low56.7Low189 Ų189125.2 Ų125.288%0.87563%0.634SS**  trans-53.5116.2163.8-94.5-81.1000107P5 E9P5-H7 PolarHBondContact O-N 3.25Å; P5-H7 VanDerWaalsContact O-N 3.12Å; H7-E9 PolarHBondContact O-N 3.37Å
8Q41.2Very low58.8Low176 Ų176125.8 Ų125.882%0.82263%0.634SS**  trans-57.6124.1167.4-78.6171.7-40.500107.1L6 Q10L6-Q8 PolarHBondContact O-N 2.98Å; Q8-Q10 PolarHBondContact O-N 3.31Å
9E42.9Very low60.6Low198 Ų198124.7 Ų124.793%0.92563%0.634SS**  trans-6088.4164.7-75.4179.7162.200107.4H7 N11H7-E9 PolarHBondContact O-N 3.37Å; E9-N11 PolarHBondContact O-N 3.5Å
10Q50.8Low62.3Low122 Ų122122.1 Ų122.157%0.5762%0.622SS**  trans-63.4116.8166.1-115.9164.7-50.200106.2Q8 E12 V15Q8-Q10 PolarHBondContact O-N 3.31Å; Q10-E12 PolarHBondContact O-N 2.96Å; Q10-V15 HydrophobicContact CB-CG2 4.26Å
11N67.3Low64Low112 Ų112117.9 Ų117.960%0.59961%0.609SS**  trans-55.7128.1-179.3-161.7-6.4000108.5E9 G13 D14 V15E9-N11 PolarHBondContact O-N 3.5Å; N11-G13 PolarHBondContact O-N 3.35Å; N11-D14 WeakPolarHBondContact O-CA 3.5Å; N11-D14 WeakPolarHBondContact O-CB 3.16Å; N11-D14 PolarHBondContact O-N 2.76Å; N11-V15 PolarHBondContact O-N 3.24Å
12E68.1Low66.7Low82 Ų82109.2 Ų109.238%0.38356%0.555SS.*Hα-helixtrans-53.8-35-172.1-64.9171.6163.300112.1Q10 D14 V15 L16 P123Q10-E12 PolarHBondContact O-N 2.96Å; E12-D14 VanDerWaalsContact C-N 3.29Å; E12-D14 PolarHBondContact O-N 3.38Å; E12-V15 PolarHBondContact O-N 3.17Å; E12-L16 PolarHBondContact O-N 3.44Å; E12-L16 VanDerWaalsContact O-N 3.09Å; E12-P123 HydrophobicContact CB-CG 4.39Å
13G71.9Confident69.6Low25 Ų25104.2 Ų104.226%0.25852%0.523SS..Hα-helixtrans-64.3-27.2174.400000114.5N11 F17 C23 R42N11-G13 PolarHBondContact O-N 3.35Å; G13-F17 WeakPolarHBondContact O-CB 3.41Å; G13-F17 PolarHBondContact O-N 3.48Å; G13-F17 VanDerWaalsContact O-N 3.11Å; G13-C23 PolarHBondContact O-SG 3.38Å; G13-R42 PolarHBondContact O-NH2 3.12Å
14D82.8Confident72.4Confident56 Ų5693.2 Ų93.230%0.29948%0.482SS..Hα-helixtrans-75.4-37.2175.1-68.4-28.2000111.7N11 E12 F17 Q18 R42N11-D14 WeakPolarHBondContact O-CA 3.5Å; N11-D14 WeakPolarHBondContact O-CB 3.16Å; N11-D14 PolarHBondContact O-N 2.76Å; E12-D14 VanDerWaalsContact C-N 3.29Å; E12-D14 PolarHBondContact O-N 3.38Å; D14-F17 PolarHBondContact O-N 3.48Å; D14-Q18 WeakPolarHBondContact O-CB 3.2Å; D14-Q18 WeakPolarHBondContact O-CG 3.41Å; D14-Q18 PolarHBondContact O-N 3.01Å; D14-R42 IonicContact OD1-CZ 3.45Å; D14-R42 IonicContact OD1-NH1 3.17Å; D14-R42 PolarHBondContact OD1-NH1 3.05Å; D14-R42 VanDerWaalsContact OD1-NH1 3.17Å; D14-R42 IonicContact OD1-NH2 2.76Å; D14-R42 PolarHBondContact OD1-NH2 2.78Å
15V87.2Confident75.3Confident66 Ų6688.5 Ų88.540%0.446%0.463SS..Hα-helixtrans-65.5-45.7174.3178.20000110.6Q10 N11 E12 F17 Q18 T19Q10-V15 HydrophobicContact CB-CG2 4.26Å; N11-V15 PolarHBondContact O-N 3.24Å; E12-V15 PolarHBondContact O-N 3.17Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 3.46Å; V15-Q18 PolarHBondContact O-N 3.28Å; V15-T19 WeakPolarHBondContact O-CB 3.37Å; V15-T19 PolarHBondContact O-N 3.48Å; V15-T19 PolarHBondContact O-OG1 3.34Å
16L89.4Confident77.9Confident16 Ų1685.5 Ų85.58%0.08444%0.436CS..Hα-helixtrans-57.5-47.1176.4-17473.6000111.1E12 Q18 T19 L20 F22 I24 P123 L124E12-L16 PolarHBondContact O-N 3.44Å; E12-L16 VanDerWaalsContact O-N 3.09Å; L16-Q18 PolarHBondContact O-N 2.99Å; L16-T19 PolarHBondContact O-N 2.84Å; L16-L20 HydrophobicContact CD1-CD1 3.55Å; L16-L20 HydrophobicContact CD1-CG 4.21Å; L16-L20 HydrophobicContact CG-CD1 4.44Å; L16-L20 PolarHBondContact O-N 2.87Å; L16-F22 WeakPolarHBondContact CG-O 3.36Å; L16-I24 HydrophobicContact CD2-CG1 4.38Å; L16-P123 HydrophobicContact CB-CG 4.48Å; L16-P123 HydrophobicContact CD1-CB 4.42Å; L16-P123 HydrophobicContact CD2-CB 3.92Å; L16-L124 HydrophobicContact CD1-CD2 3.9Å; L16-L124 HydrophobicContact CD1-CG 4.22Å
17F94.1Very high80.7Confident74 Ų7482.3 Ų82.333%0.32541%0.413SS..Hα-helixtrans-61.7-45.4178.9-174.8-111.5000112.7G13 D14 V15 T19 G21 F22 R42G13-F17 WeakPolarHBondContact O-CB 3.41Å; G13-F17 PolarHBondContact O-N 3.48Å; G13-F17 VanDerWaalsContact O-N 3.11Å; D14-F17 PolarHBondContact O-N 3.48Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 3.46Å; F17-T19 PolarHBondContact O-N 2.62Å; F17-G21 WeakPolarHBondContact CE2-O 3.34Å; F17-G21 WeakPolarHBondContact O-CA 3.49Å; F17-G21 PolarHBondContact O-N 2.88Å; F17-F22 WeakPolarHBondContact CA-O 3.28Å; F17-R42 HydrophobicContact CD2-CG 4.1Å; F17-R42 HydrophobicContact CE2-CG 3.92Å; F17-R42 HydrophobicContact CZ-CG 4.42Å
18Q94.3Very high83.3Confident135 Ų13578.6 Ų78.663%0.63141%0.405SS*.Hα-helixtrans-64.5-31.6179-72.9173.112.700112.1D14 V15 L16D14-Q18 WeakPolarHBondContact O-CB 3.2Å; D14-Q18 WeakPolarHBondContact O-CG 3.41Å; D14-Q18 PolarHBondContact O-N 3.01Å; V15-Q18 PolarHBondContact O-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.99Å
19T93.4Very high86Confident105 Ų10571.1 Ų71.164%0.64437%0.373SS*.Hα-helixtrans-86.9-44.9-175.8-51.50000112.6V15 L16 F17V15-T19 WeakPolarHBondContact O-CB 3.37Å; V15-T19 PolarHBondContact O-N 3.48Å; V15-T19 PolarHBondContact O-OG1 3.34Å; L16-T19 PolarHBondContact O-N 2.84Å; F17-T19 PolarHBondContact O-N 2.62Å
20L95.2Very high88.4Confident72 Ų7264.3 Ų64.338%0.37735%0.347SS..Hα-helixtrans-110.5-10.6-172-58.4-175.5000113.9L16 F22 L124L16-L20 HydrophobicContact CD1-CD1 3.55Å; L16-L20 HydrophobicContact CD1-CG 4.21Å; L16-L20 HydrophobicContact CG-CD1 4.44Å; L16-L20 PolarHBondContact O-N 2.87Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 HydrophobicContact CB-CD1 3.94Å; L20-F22 HydrophobicContact CB-CE1 3.63Å; L20-F22 HydrophobicContact CB-CZ 4.16Å; L20-F22 HydrophobicContact CD1-CE1 4.2Å; L20-F22 HydrophobicContact CD1-CZ 3.93Å; L20-F22 VanDerWaalsContact O-CD1 3.32Å; L20-F22 WeakPolarHBondContact O-CD1 3.46Å; L20-L124 HydrophobicContact CD1-CD1 4.08Å; L20-L124 HydrophobicContact CD1-CD2 4.22Å
21G96.6Very high90.4Very high34 Ų3460.4 Ų60.435%0.35133%0.33SS..SBendtrans816.4-178.900000114.9F17 G43 F44F17-G21 WeakPolarHBondContact CE2-O 3.34Å; F17-G21 WeakPolarHBondContact O-CA 3.49Å; F17-G21 PolarHBondContact O-N 2.88Å; G21-G43 VanDerWaalsContact O-CA 3.28Å; G21-G43 WeakPolarHBondContact O-CA 3.21Å; G21-F44 PolarHBondContact O-N 2.84Å; G21-F44 VanDerWaalsContact O-N 3.16Å
22F97.2Very high91.4Very high3 Ų359.1 Ų59.11%0.01334%0.335CS..EExtended strand (participates in β ladder)trans-147.8162.9177.766.6-91.6000113.3L16 F17 L20 I24 V40 R42 V45 V51 L124L16-F22 WeakPolarHBondContact CG-O 3.36Å; F17-F22 WeakPolarHBondContact CA-O 3.28Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 HydrophobicContact CB-CD1 3.94Å; L20-F22 HydrophobicContact CB-CE1 3.63Å; L20-F22 HydrophobicContact CB-CZ 4.16Å; L20-F22 HydrophobicContact CD1-CE1 4.2Å; L20-F22 HydrophobicContact CD1-CZ 3.93Å; L20-F22 VanDerWaalsContact O-CD1 3.32Å; L20-F22 WeakPolarHBondContact O-CD1 3.46Å; F22-I24 HydrophobicContact CD2-CG2 4.01Å; F22-I24 HydrophobicContact CE2-CG2 4.08Å; F22-V40 HydrophobicContact CB-CG1 4.38Å; F22-R42 CarbonylContact C-O 3.54Å; F22-R42 WeakPolarHBondContact CA-O 3.4Å; F22-R42 WeakPolarHBondContact CB-O 3.45Å; F22-V45 HydrophobicContact CB-CG2 4Å; F22-V45 HydrophobicContact CD1-CB 4.49Å; F22-V45 HydrophobicContact CD1-CG2 3.78Å; F22-V45 HydrophobicContact CD2-CG2 3.84Å; F22-V45 HydrophobicContact CE1-CG2 4.19Å; F22-V45 HydrophobicContact CE2-CG2 4.25Å; F22-V45 HydrophobicContact CG-CG2 3.6Å; F22-V45 HydrophobicContact CZ-CG2 4.42Å; F22-V51 HydrophobicContact CZ-CG1 4.41Å; F22-L124 HydrophobicContact CE2-CD2 4.46Å
23C96.4Very high92.4Very high6 Ų665.5 Ų65.54%0.04136%0.361CS..EExtended strand (participates in β ladder)trans-121.1146.5168.9-59.90000110.3G13 V40 T41 R42G13-C23 PolarHBondContact O-SG 3.38Å; C23-V40 CarbonylContact O-C 3.56Å; C23-V40 WeakPolarHBondContact O-CA 3.42Å; C23-T41 WeakPolarHBondContact CB-OG1 3.28Å; C23-T41 PolarHBondContact O-N 3.37Å; C23-R42 HydrophobicContact CB-CB 4.01Å; C23-R42 PolarHBondContact N-O 3.11Å; C23-R42 PolarHBondContact SG-NE 3.25Å; C23-R42 PolarHBondContact SG-NH2 3.21Å; C23-R42 VanDerWaalsContact SG-NH2 3.38Å
24I96.4Very high93.3Very high13 Ų1366 Ų667%0.06736%0.363CS..EExtended strand (participates in β ladder)trans-125.3148.1169.256.4162.5000111.3L16 F22 V38 F39 V40 V51 A52 L124 V126 L191L16-I24 HydrophobicContact CD2-CG1 4.38Å; F22-I24 HydrophobicContact CD2-CG2 4.01Å; F22-I24 HydrophobicContact CE2-CG2 4.08Å; I24-V38 HydrophobicContact CB-CG1 3.98Å; I24-V38 HydrophobicContact CD1-CG1 4.03Å; I24-V38 HydrophobicContact CG2-CG1 4.47Å; I24-F39 CarbonylContact C-O 3.52Å; I24-F39 WeakPolarHBondContact CA-O 3.49Å; I24-V40 HydrophobicContact CG2-CG2 4.24Å; I24-V51 VanDerWaalsContact CD1-O 3.28Å; I24-V51 WeakPolarHBondContact CD1-O 3.49Å; I24-A52 HydrophobicContact CD1-CB 4.43Å; I24-L124 HydrophobicContact CD1-CD2 4.2Å; I24-V126 HydrophobicContact CD1-CG2 3.6Å; I24-L191 HydrophobicContact CG2-CD1 4.38Å
25E95.5Very high93.9Very high90 Ų9065.7 Ų65.742%0.42137%0.373SS..EExtended strand (participates in β ladder)trans-142.1151176-67.7167.2-153.600111.4R27 V38 F39 T41E25-R27 HydrophobicContact CB-CG 4.48Å; E25-R27 IonicContact OE1-NH2 3.78Å; E25-R27 IonicContact OE2-CZ 3.31Å; E25-R27 IonicContact OE2-NE 3.34Å; E25-R27 PolarHBondContact OE2-NE 2.84Å; E25-R27 IonicContact OE2-NH2 2.74Å; E25-R27 PolarHBondContact OE2-NH2 2.9Å; E25-V38 WeakPolarHBondContact O-CA 3.32Å; E25-F39 PolarHBondContact N-O 3.44Å; E25-F39 PolarHBondContact O-N 3.28Å; E25-T41 HydrophobicContact CB-CG2 3.67Å; E25-T41 HydrophobicContact CG-CG2 3.77Å; E25-T41 PolarHBondContact OE1-OG1 3.06Å
26R96Very high94.3Very high51 Ų5165.3 Ų65.319%0.19237%0.371CS..EExtended strand (participates in β ladder)trans-74.9129.1166.8-70.1-177.8-71.7-166.4-22.8110T36 G37 T117 D118 V126 Y129R26-T36 HydrophobicContact CB-CG2 3.86Å; R26-T36 HydrophobicContact CG-CG2 4.25Å; R26-G37 WeakPolarHBondContact CA-O 3.31Å; R26-T117 PolarHBondContact NH1-O 2.79Å; R26-T117 PolarHBondContact NH2-O 3.38Å; R26-D118 PolarHBondContact NH2-O 3.36Å; R26-V126 HydrophobicContact CG-CB 4.31Å; R26-V126 HydrophobicContact CG-CG1 4.17Å; R26-Y129 HydrophobicContact CG-CD2 4.14Å; R26-Y129 VanDerWaalsContact NH1-CE2 3.27Å
27R96Very high94.7Very high104 Ų10464.6 Ų64.639%0.39237%0.367SS..EExtended strand (participates in β ladder)trans-143.3163.7176.6-61.2-176.7176.3-175.9-4.5109.9E25 S29 G37 F39E25-R27 HydrophobicContact CB-CG 4.48Å; E25-R27 IonicContact OE1-NH2 3.78Å; E25-R27 IonicContact OE2-CZ 3.31Å; E25-R27 IonicContact OE2-NE 3.34Å; E25-R27 PolarHBondContact OE2-NE 2.84Å; E25-R27 IonicContact OE2-NH2 2.74Å; E25-R27 PolarHBondContact OE2-NH2 2.9Å; R27-S29 PolarHBondContact O-N 2.78Å; R27-G37 PolarHBondContact N-O 3.18Å; R27-G37 PolarHBondContact O-N 2.77Å; R27-G37 VanDerWaalsContact O-O 3.1Å; R27-F39 HydrophobicContact CB-CD2 3.69Å; R27-F39 HydrophobicContact CB-CE2 3.85Å; R27-F39 HydrophobicContact CB-CG 4.5Å; R27-F39 HydrophobicContact CG-CD2 4.25Å
28P97.1Very high94.9Very high111 Ų11161 Ų6172%0.72135%0.352SS*.EExtended strand (participates in β ladder)trans-52.3129.1168.4-25.835.7000110.4F39P28-F39 WeakPolarHBondContact O-CE2 3.49Å
29S96.8Very high95.1Very high19 Ų1955.9 Ų55.913%0.13333%0.327CS..  trans-63.1148.3-178.5-1780000110.9R27 L31 G35 N131 E190R27-S29 PolarHBondContact O-N 2.78Å; S29-L31 PolarHBondContact O-N 3.42Å; S29-L31 PolarHBondContact OG-N 3.11Å; S29-L31 VanDerWaalsContact OG-N 3.12Å; S29-G35 PolarHBondContact N-O 3.09Å; S29-N131 WeakPolarHBondContact CB-ND2 3.32Å; S29-N131 PolarHBondContact OG-ND2 2.83Å; S29-E190 WeakPolarHBondContact CA-OE1 3.44Å; S29-E190 VanDerWaalsContact CB-OE1 3.25Å; S29-E190 WeakPolarHBondContact CB-OE1 2.85Å; S29-E190 PolarHBondContact OG-OE1 3.24Å; S29-E190 PolarHBondContact OG-OE2 2.88Å
30S94.3Very high95.3Very high54 Ų5450.9 Ų50.938%0.37830%0.297SS..SBendtrans-74.5-12170.571.20000112.9R137 E190S30-R137 PolarHBondContact OG-NH2 3.49Å; S30-E190 WeakPolarHBondContact CB-OE2 3.37Å; S30-E190 PolarHBondContact N-OE2 3.23Å; S30-E190 PolarHBondContact OG-OE2 2.87Å
31L92.1Very high95.4Very high41 Ų4149 Ų4922%0.21529%0.288CS..SBendtrans-83.5132.5172.4-69.1178.7000111S29 F33 A34 N131 R137 F192S29-L31 PolarHBondContact O-N 3.42Å; S29-L31 PolarHBondContact OG-N 3.11Å; S29-L31 VanDerWaalsContact OG-N 3.12Å; L31-F33 PolarHBondContact O-N 2.86Å; L31-A34 HydrophobicContact CB-CB 3.66Å; L31-A34 PolarHBondContact O-N 3.44Å; L31-N131 HydrophobicContact CD1-CB 4.4Å; L31-R137 HydrophobicContact CD2-CB 4.3Å; L31-R137 HydrophobicContact CD2-CG 3.68Å; L31-R137 HydrophobicContact CG-CG 4.45Å; L31-F192 HydrophobicContact CD1-CD1 4.09Å; L31-F192 HydrophobicContact CD1-CE1 3.46Å; L31-F192 VanDerWaalsContact CD1-CE1 3.46Å; L31-F192 HydrophobicContact CD1-CZ 4.27Å; L31-F192 HydrophobicContact CG-CE1 3.76Å; L31-F192 HydrophobicContact CG-CZ 4.1Å
32A89.4Confident95.4Very high85 Ų8552 Ų5270%0.70229%0.289SS*.THydrogen-bonded Turntrans-60131.6176.900000110.7A34A32-A34 PolarHBondContact O-N 2.87Å; A32-A34 VanDerWaalsContact O-N 3.1Å
33F89.2Confident95.4Very high215 Ų21553.2 Ų53.294%0.94330%0.302SS*.THydrogen-bonded Turntrans62.68178-46-76.2000116.3L31 G35L31-F33 PolarHBondContact O-N 2.86Å; F33-G35 VanDerWaalsContact C-N 3.29Å; F33-G35 PolarHBondContact O-N 3.45Å
34A90.7Very high95.4Very high35 Ų3557.1 Ų57.129%0.28932%0.319SS..  trans-79.1-11176.100000113.5L31 A32 T36L31-A34 HydrophobicContact CB-CB 3.66Å; L31-A34 PolarHBondContact O-N 3.44Å; A32-A34 PolarHBondContact O-N 2.87Å; A32-A34 VanDerWaalsContact O-N 3.1Å; A34-T36 PolarHBondContact O-N 3.38Å
35G94.9Very high95.5Very high50 Ų5056.5 Ų56.552%0.51532%0.316SS..  trans78-113.1178.400000112S29 F33S29-G35 PolarHBondContact N-O 3.09Å; F33-G35 VanDerWaalsContact C-N 3.29Å; F33-G35 PolarHBondContact O-N 3.45Å
36T96.4Very high95.7Very high59 Ų5955 Ų5536%0.36231%0.314SS..EExtended strand (participates in β ladder)trans-96.3141.1-177.5-56.70000110.1R26 A34 Y129 N131R26-T36 HydrophobicContact CB-CG2 3.86Å; R26-T36 HydrophobicContact CG-CG2 4.25Å; A34-T36 PolarHBondContact O-N 3.38Å; T36-Y129 HydrophobicContact CG2-CD1 4.17Å; T36-Y129 HydrophobicContact CG2-CG 4.3Å; T36-N131 PolarHBondContact O-ND2 2.73Å
37G97.3Very high95.8Very high0 Ų059.7 Ų59.70%034%0.336CS..EExtended strand (participates in β ladder)trans-125.9172.8171.100000111.2R26 R27 Y129 E190R26-G37 WeakPolarHBondContact CA-O 3.31Å; R27-G37 PolarHBondContact N-O 3.18Å; R27-G37 PolarHBondContact O-N 2.77Å; R27-G37 VanDerWaalsContact O-O 3.1Å; G37-Y129 WeakPolarHBondContact CA-O 3.49Å; G37-E190 WeakPolarHBondContact CA-OE1 3.37Å
38V98Very high95.8Very high0 Ų057.3 Ų57.30%034%0.343CS..EExtended strand (participates in β ladder)trans-114.5131176.2-177.10000109.1I24 E25 V126 I130 E190 L191I24-V38 HydrophobicContact CB-CG1 3.98Å; I24-V38 HydrophobicContact CD1-CG1 4.03Å; I24-V38 HydrophobicContact CG2-CG1 4.47Å; E25-V38 WeakPolarHBondContact O-CA 3.32Å; V38-V126 HydrophobicContact CG1-CG2 4.04Å; V38-V126 HydrophobicContact CG2-CB 4.33Å; V38-V126 HydrophobicContact CG2-CG2 4.04Å; V38-I130 HydrophobicContact CB-CG1 3.84Å; V38-I130 HydrophobicContact CG2-CG1 3.72Å; V38-E190 WeakPolarHBondContact O-CA 3.37Å; V38-L191 HydrophobicContact CB-CD1 4.35Å; V38-L191 HydrophobicContact CG1-CD1 3.89Å; V38-L191 PolarHBondContact O-N 3.02Å
39F98.2Very high95.9Very high27 Ų2753 Ų5312%0.11832%0.317CS..EExtended strand (participates in β ladder)trans-122.1142.5-175.7-69.9-107.7000110.4I24 E25 R27 P28 T41 E189 E190I24-F39 CarbonylContact C-O 3.52Å; I24-F39 WeakPolarHBondContact CA-O 3.49Å; E25-F39 PolarHBondContact N-O 3.44Å; E25-F39 PolarHBondContact O-N 3.28Å; R27-F39 HydrophobicContact CB-CD2 3.69Å; R27-F39 HydrophobicContact CB-CE2 3.85Å; R27-F39 HydrophobicContact CB-CG 4.5Å; R27-F39 HydrophobicContact CG-CD2 4.25Å; P28-F39 WeakPolarHBondContact O-CE2 3.49Å; F39-T41 HydrophobicContact CB-CG2 4.36Å; F39-T41 PolarHBondContact O-N 2.77Å; F39-E189 WeakPolarHBondContact CA-O 3.19Å; F39-E190 HydrophobicContact CD1-CB 3.78Å; F39-E190 HydrophobicContact CD1-CG 4.32Å; F39-E190 HydrophobicContact CD2-CB 4.48Å; F39-E190 HydrophobicContact CD2-CG 4.14Å; F39-E190 HydrophobicContact CE1-CB 3.5Å; F39-E190 VanDerWaalsContact CE1-CB 3.5Å; F39-E190 HydrophobicContact CE1-CG 3.96Å; F39-E190 HydrophobicContact CE2-CB 4.22Å; F39-E190 HydrophobicContact CE2-CG 3.74Å; F39-E190 HydrophobicContact CG-CB 4.28Å; F39-E190 HydrophobicContact CG-CG 4.41Å; F39-E190 HydrophobicContact CZ-CB 3.74Å; F39-E190 VanDerWaalsContact CZ-CD 3.45Å; F39-E190 HydrophobicContact CZ-CG 3.65Å; F39-E190 VanDerWaalsContact CZ-OE2 3.3Å; F39-E190 WeakPolarHBondContact CZ-OE2 3.22Å
40V98.1Very high95.9Very high0 Ų055.1 Ų55.10%033%0.329CS..EExtended strand (participates in β ladder)trans-73.7116.1163.2-176.50000107.1F22 C23 I24 V45 I185 A187 G188 E189 L191F22-V40 HydrophobicContact CB-CG1 4.38Å; C23-V40 CarbonylContact O-C 3.56Å; C23-V40 WeakPolarHBondContact O-CA 3.42Å; I24-V40 HydrophobicContact CG2-CG2 4.24Å; V40-V45 HydrophobicContact CG1-CG2 4.28Å; V40-V45 HydrophobicContact CG2-CG2 3.9Å; V40-I185 HydrophobicContact CG2-CB 4.47Å; V40-I185 HydrophobicContact CG2-CG2 3.8Å; V40-A187 CarbonylContact O-C 3.6Å; V40-A187 WeakPolarHBondContact O-CA 3.44Å; V40-G188 PolarHBondContact O-N 2.89Å; V40-E189 PolarHBondContact N-O 3.22Å; V40-L191 HydrophobicContact CG2-CD2 3.91Å
41T96.8Very high96.1Very high33 Ų3352.5 Ų52.520%0.20231%0.311CS..EExtended strand (participates in β ladder)trans-99.8-26-173.261.10000113.1C23 E25 F39C23-T41 WeakPolarHBondContact CB-OG1 3.28Å; C23-T41 PolarHBondContact O-N 3.37Å; E25-T41 HydrophobicContact CB-CG2 3.67Å; E25-T41 HydrophobicContact CG-CG2 3.77Å; E25-T41 PolarHBondContact OE1-OG1 3.06Å; F39-T41 HydrophobicContact CB-CG2 4.36Å; F39-T41 PolarHBondContact O-N 2.77Å
42R96.9Very high96.3Very high95 Ų9550.6 Ų50.636%0.35830%0.301SS..EExtended strand (participates in β ladder)trans-148.3149.5179.6-169.7168.461.8-177.50.1109.6G13 D14 F17 F22 C23G13-R42 PolarHBondContact O-NH2 3.12Å; D14-R42 IonicContact OD1-CZ 3.45Å; D14-R42 IonicContact OD1-NH1 3.17Å; D14-R42 PolarHBondContact OD1-NH1 3.05Å; D14-R42 VanDerWaalsContact OD1-NH1 3.17Å; D14-R42 IonicContact OD1-NH2 2.76Å; D14-R42 PolarHBondContact OD1-NH2 2.78Å; F17-R42 HydrophobicContact CD2-CG 4.1Å; F17-R42 HydrophobicContact CE2-CG 3.92Å; F17-R42 HydrophobicContact CZ-CG 4.42Å; F22-R42 CarbonylContact C-O 3.54Å; F22-R42 WeakPolarHBondContact CA-O 3.4Å; F22-R42 WeakPolarHBondContact CB-O 3.45Å; C23-R42 HydrophobicContact CB-CB 4.01Å; C23-R42 PolarHBondContact N-O 3.11Å; C23-R42 PolarHBondContact SG-NE 3.25Å; C23-R42 PolarHBondContact SG-NH2 3.21Å; C23-R42 VanDerWaalsContact SG-NH2 3.38Å
43G96.7Very high96.8Very high29 Ų2947.5 Ų47.530%0.29927%0.272SS..EExtended strand (participates in β ladder)trans81.3-153.4174.400000115.1G21 A187G21-G43 VanDerWaalsContact O-CA 3.28Å; G21-G43 WeakPolarHBondContact O-CA 3.21Å; G43-A187 PolarHBondContact O-N 3.24Å
44F97.5Very high97.2Very high89 Ų8937.8 Ų37.839%0.3923%0.23SC..EExtended strand (participates in β ladder)trans-145.6131.2-171.9176-99.4000110.5G21 P46 D184 R186G21-F44 PolarHBondContact O-N 2.84Å; G21-F44 VanDerWaalsContact O-N 3.16Å; F44-P46 HydrophobicContact CE1-CB 4.01Å; F44-D184 HydrophobicContact CE2-CB 3.69Å; F44-D184 HydrophobicContact CZ-CB 3.49Å; F44-D184 VanDerWaalsContact CZ-CB 3.49Å; F44-D184 VanDerWaalsContact CZ-CG 3.41Å; F44-R186 HydrophobicContact CD2-CG 4.34Å
45V98.4Very high97.5Very high0 Ų036.1 Ų36.10%022%0.216CC..EExtended strand (participates in β ladder)trans-101.4115174.2-179.60000108F22 V40 A49 V51 D184 I185F22-V45 HydrophobicContact CB-CG2 4Å; F22-V45 HydrophobicContact CD1-CB 4.49Å; F22-V45 HydrophobicContact CD1-CG2 3.78Å; F22-V45 HydrophobicContact CD2-CG2 3.84Å; F22-V45 HydrophobicContact CE1-CG2 4.19Å; F22-V45 HydrophobicContact CE2-CG2 4.25Å; F22-V45 HydrophobicContact CG-CG2 3.6Å; F22-V45 HydrophobicContact CZ-CG2 4.42Å; V40-V45 HydrophobicContact CG1-CG2 4.28Å; V40-V45 HydrophobicContact CG2-CG2 3.9Å; V45-A49 HydrophobicContact CG1-CB 3.99Å; V45-V51 HydrophobicContact CB-CG1 4.27Å; V45-V51 HydrophobicContact CG1-CG1 3.25Å; V45-V51 HydrophobicContact CG2-CG1 4.07Å; V45-D184 CarbonylContact O-C 3.22Å; V45-D184 VanDerWaalsContact O-CA 3.31Å; V45-D184 WeakPolarHBondContact O-CA 3.4Å; V45-I185 HydrophobicContact CB-CB 4Å; V45-I185 HydrophobicContact CB-CG1 4.43Å; V45-I185 HydrophobicContact CG2-CB 4.42Å; V45-I185 PolarHBondContact N-O 2.83Å; V45-I185 PolarHBondContact O-N 3.39Å
46P98.3Very high97.7Very high59 Ų5933.8 Ų33.838%0.38319%0.191SC..  trans-72.4153.7172.928.8-30.3000110.8F44 G48 A49 S181 D184F44-P46 HydrophobicContact CE1-CB 4.01Å; P46-G48 PolarHBondContact O-N 3.4Å; P46-A49 HydrophobicContact CG-CB 4.01Å; P46-A49 VanDerWaalsContact O-CB 3.28Å; P46-A49 WeakPolarHBondContact O-CB 3.43Å; P46-A49 PolarHBondContact O-N 2.71Å; P46-S181 PolarHBondContact O-OG 3.13Å; P46-D184 WeakPolarHBondContact CA-OD1 3.49Å
47K98.2Very high97.7Very high149 Ų14931 Ų3165%0.64817%0.174SC*.THydrogen-bonded Turntrans-52.9136.1170.5178.9175.6178.1179.80111.6A49 S181 L182 D184K47-A49 VanDerWaalsContact C-N 3.33Å; K47-S181 WeakPolarHBondContact CA-OG 3.49Å; K47-L182 WeakPolarHBondContact CD-O 3.35Å; K47-L182 WeakPolarHBondContact CE-O 3.38Å; K47-L182 WeakPolarHBondContact CG-O 3.21Å; K47-D184 PolarHBondContact N-OD1 2.69Å
48G97.5Very high97.7Very high53 Ų5331 Ų3155%0.54617%0.174SC..THydrogen-bonded Turntrans83.63.617900000114.5P46 V180 S181P46-G48 PolarHBondContact O-N 3.4Å; G48-V180 WeakPolarHBondContact O-CG1 3.06Å; G48-S181 PolarHBondContact N-O 2.9Å; G48-S181 PolarHBondContact N-OG 2.86Å
49A97.9Very high97.6Very high22 Ų2231 Ų3118%0.18217%0.174CC..  trans-82.9143.1176.400000111.9V45 P46 K47 V51 V180 S181V45-A49 HydrophobicContact CG1-CB 3.99Å; P46-A49 HydrophobicContact CG-CB 4.01Å; P46-A49 VanDerWaalsContact O-CB 3.28Å; P46-A49 WeakPolarHBondContact O-CB 3.43Å; P46-A49 PolarHBondContact O-N 2.71Å; K47-A49 VanDerWaalsContact C-N 3.33Å; A49-V51 PolarHBondContact O-N 2.92Å; A49-V180 CarbonylContact O-C 3.57Å; A49-V180 WeakPolarHBondContact O-CA 3.48Å; A49-S181 PolarHBondContact N-OG 3.36Å; A49-S181 PolarHBondContact O-N 3.19Å; A49-S181 PolarHBondContact O-OG 3.37Å
50T97.4Very high97.4Very high62 Ų6230.5 Ų30.538%0.3817%0.172SC..EExtended strand (participates in β ladder)trans-69.5122.1167.3-57.90000109.7V178 L179T50-V178 HydrophobicContact CG2-CB 3.96Å; T50-V178 HydrophobicContact CG2-CG1 4.33Å; T50-V178 HydrophobicContact CG2-CG2 4.48Å; T50-L179 WeakPolarHBondContact CA-O 3.44Å
51V97.6Very high97.1Very high0 Ų032.8 Ų32.80%019%0.187CC..EExtended strand (participates in β ladder)trans-108.5-24.7-177.9-65.50000114.1F22 I24 V45 A49 L124 V141 L179 L191F22-V51 HydrophobicContact CZ-CG1 4.41Å; I24-V51 VanDerWaalsContact CD1-O 3.28Å; I24-V51 WeakPolarHBondContact CD1-O 3.49Å; V45-V51 HydrophobicContact CB-CG1 4.27Å; V45-V51 HydrophobicContact CG1-CG1 3.25Å; V45-V51 HydrophobicContact CG2-CG1 4.07Å; A49-V51 PolarHBondContact O-N 2.92Å; V51-L124 WeakPolarHBondContact O-CD2 3.47Å; V51-V141 HydrophobicContact CG2-CB 4.33Å; V51-V141 HydrophobicContact CG2-CG1 3.6Å; V51-L179 HydrophobicContact CG2-CB 3.97Å; V51-L179 VanDerWaalsContact CG2-O 3.28Å; V51-L179 WeakPolarHBondContact CG2-O 3.49Å; V51-L179 PolarHBondContact N-O 2.79Å; V51-L191 HydrophobicContact CB-CD1 4.3Å; V51-L191 HydrophobicContact CG2-CD1 4.09Å
52A97.9Very high96.7Very high0 Ų042.5 Ų42.50%022%0.222CC..EExtended strand (participates in β ladder)trans-158.8164.3-179.100000110.4I24 L124 I130 V178 L179I24-A52 HydrophobicContact CD1-CB 4.43Å; A52-L124 CarbonylContact C-O 3.56Å; A52-L124 WeakPolarHBondContact CA-O 3.42Å; A52-I130 HydrophobicContact CB-CD1 3.76Å; A52-V178 CarbonylContact O-C 3.44Å; A52-V178 WeakPolarHBondContact O-CA 3.43Å; A52-L179 HydrophobicContact CB-CB 4.29Å; A52-L179 HydrophobicContact CB-CD1 3.99Å; A52-L179 PolarHBondContact O-N 2.82Å
53M98.2Very high96.5Very high20 Ų2039.5 Ų39.510%0.09921%0.212CC..EExtended strand (participates in β ladder)trans-117.6136.8171.3-59.1-175.273.800108.4P55 N122 L124 G127 L160 P161 C176 V178M53-P55 VanDerWaalsContact O-CD 3.27Å; M53-P55 WeakPolarHBondContact O-CD 3.35Å; M53-N122 PolarHBondContact SD-ND2 2.78Å; M53-N122 VanDerWaalsContact SD-ND2 3.43Å; M53-L124 HydrophobicContact CG-CB 4.14Å; M53-L124 PolarHBondContact N-O 2.72Å; M53-G127 WeakPolarHBondContact O-CA 3.45Å; M53-G127 PolarHBondContact O-N 2.83Å; M53-L160 HydrophobicContact CE-CD2 4.06Å; M53-P161 HydrophobicContact CB-CG 3.97Å; M53-P161 HydrophobicContact CE-CG 4.27Å; M53-P161 HydrophobicContact SD-CG 4.3Å; M53-C176 HydrophobicContact CE-CB 4.36Å; M53-V178 HydrophobicContact CE-CG1 4.49Å; M53-V178 HydrophobicContact CG-CG1 4.24Å
54Y98Very high96.3Very high12 Ų1241.7 Ų41.75%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-83.1107.9171-158.5-80.1000108.4F74 F76 V84 Q128 Y143 N162 V177Y54-F74 VanDerWaalsContact OH-C 3.32Å; Y54-F74 WeakPolarHBondContact OH-CA 3.17Å; Y54-F74 PolarHBondContact OH-O 2.99Å; Y54-F76 HydrophobicContact CD1-CB 4.24Å; Y54-F76 HydrophobicContact CE1-CB 3.8Å; Y54-V84 HydrophobicContact CD1-CG1 4.03Å; Y54-V84 HydrophobicContact CE1-CG1 4.48Å; Y54-Q128 HydrophobicContact CE1-CB 4.38Å; Y54-Q128 HydrophobicContact CE2-CB 4.1Å; Y54-Y143 AromaticContact CD2-CE1 3.86Å; Y54-Y143 HydrophobicContact CD2-CE1 3.86Å; Y54-Y143 HydrophobicContact CE2-CE1 4.29Å; Y54-N162 PolarHBondContact O-ND2 3.02Å; Y54-V177 PolarHBondContact N-O 3.05Å
55P98.3Very high96.1Very high0 Ų038.5 Ų38.50%021%0.208CC..  trans-76.5163.3-178.137-38.6000110.5M53 G86 W115 Q128 P161M53-P55 VanDerWaalsContact O-CD 3.27Å; M53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-G86 WeakPolarHBondContact O-CA 3.3Å; P55-W115 HydrophobicContact CB-CB 4.26Å; P55-W115 HydrophobicContact CB-CD2 3.44Å; P55-W115 VanDerWaalsContact CB-CD2 3.44Å; P55-W115 HydrophobicContact CB-CE3 3.71Å; P55-W115 HydrophobicContact CB-CG 3.68Å; P55-W115 HydrophobicContact CB-CH2 4.44Å; P55-W115 HydrophobicContact CB-CZ2 4.23Å; P55-W115 HydrophobicContact CB-CZ3 4.19Å; P55-W115 HydrophobicContact CG-CD2 3.79Å; P55-W115 HydrophobicContact CG-CE3 3.48Å; P55-W115 VanDerWaalsContact CG-CE3 3.48Å; P55-W115 HydrophobicContact CG-CG 4.28Å; P55-W115 HydrophobicContact CG-CH2 4.43Å; P55-W115 HydrophobicContact CG-CZ3 3.83Å; P55-Q128 HydrophobicContact CG-CG 4.36Å; P55-P161 WeakPolarHBondContact CA-O 3.35Å; P55-P161 HydrophobicContact CB-CB 3.69Å; P55-P161 HydrophobicContact CB-CG 4.13Å
56G97.9Very high95.9Very high0 Ų044.5 Ų44.50%024%0.239CC..EExtended strand (participates in β ladder)trans151.6173.616700000116.5D85 P161 N162 V163G56-D85 CarbonylContact C-O 3.58Å; G56-D85 WeakPolarHBondContact CA-O 3.28Å; G56-P161 PolarHBondContact N-O 3.46Å; G56-N162 PolarHBondContact N-ND2 2.92Å; G56-N162 WeakPolarHBondContact O-CA 3.36Å; G56-V163 PolarHBondContact O-N 2.61Å
57T97.7Very high95.6Very high1 Ų147.3 Ų47.31%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-80.3127.8171.8-520000109Y59 V84 D85 V95 F96 V163 Y165T57-Y59 HydrophobicContact CG2-CD2 4.34Å; T57-Y59 HydrophobicContact CG2-CE2 3.72Å; T57-Y59 WeakPolarHBondContact O-CD2 3.4Å; T57-V84 WeakPolarHBondContact O-CA 3.3Å; T57-D85 PolarHBondContact N-O 2.94Å; T57-D85 PolarHBondContact O-N 2.92Å; T57-V95 HydrophobicContact CG2-CG1 4.13Å; T57-F96 WeakPolarHBondContact OG1-CA 3.17Å; T57-F96 WeakPolarHBondContact OG1-CB 3.38Å; T57-V163 CarbonylContact C-O 3.53Å; T57-V163 WeakPolarHBondContact CA-O 3.38Å; T57-V163 HydrophobicContact CG2-CG1 4.39Å; T57-Y165 HydrophobicContact CG2-CD2 4.37Å
58I96.8Very high95.5Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-89.5124.7179.6-55.5159.5000108.7V82 L83 N162 V163 Y165 L174 R175I58-V82 HydrophobicContact CG2-CG1 3.47Å; I58-V82 VanDerWaalsContact CG2-CG1 3.47Å; I58-L83 CarbonylContact C-O 3.54Å; I58-L83 WeakPolarHBondContact CA-O 3.48Å; I58-N162 HydrophobicContact CD1-CB 3.95Å; I58-N162 HydrophobicContact CG1-CB 4.32Å; I58-V163 PolarHBondContact N-O 3.22Å; I58-Y165 VanDerWaalsContact O-CB 3.26Å; I58-Y165 WeakPolarHBondContact O-CB 3.12Å; I58-Y165 PolarHBondContact O-N 2.81Å; I58-L174 HydrophobicContact CD1-CD1 3.42Å; I58-L174 VanDerWaalsContact CD1-CD1 3.42Å; I58-L174 HydrophobicContact CD1-CG 3.98Å; I58-R175 HydrophobicContact CD1-CB 4.24Å; I58-R175 WeakPolarHBondContact CD1-O 3.3Å; I58-R175 HydrophobicContact CG2-CB 4.35Å
59Y95.7Very high95.3Very high1 Ų140.7 Ų40.70%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-111.8122.4172.4-60-99.7000109.4T57 E63 P64 I65 Q68 L83 D85 V95 Y165T57-Y59 HydrophobicContact CG2-CD2 4.34Å; T57-Y59 HydrophobicContact CG2-CE2 3.72Å; T57-Y59 WeakPolarHBondContact O-CD2 3.4Å; Y59-E63 WeakPolarHBondContact CA-OE2 3.44Å; Y59-E63 HydrophobicContact CD1-CB 4.23Å; Y59-P64 WeakPolarHBondContact CE1-O 3.28Å; Y59-I65 HydrophobicContact CD1-CB 4.06Å; Y59-I65 HydrophobicContact CD1-CG1 4.26Å; Y59-I65 HydrophobicContact CD2-CD1 3.59Å; Y59-I65 HydrophobicContact CD2-CG1 3.95Å; Y59-I65 HydrophobicContact CE1-CB 4.29Å; Y59-I65 HydrophobicContact CE1-CG1 4.25Å; Y59-I65 HydrophobicContact CE2-CD1 3.94Å; Y59-I65 HydrophobicContact CE2-CG1 3.95Å; Y59-I65 HydrophobicContact CG-CB 4.19Å; Y59-I65 HydrophobicContact CG-CD1 3.96Å; Y59-I65 HydrophobicContact CG-CG1 4.11Å; Y59-Q68 PolarHBondContact OH-NE2 2.8Å; Y59-L83 PolarHBondContact N-O 3.47Å; Y59-L83 PolarHBondContact O-N 3.28Å; Y59-D85 HydrophobicContact CD2-CB 4.42Å; Y59-D85 HydrophobicContact CE2-CB 3.76Å; Y59-V95 WeakPolarHBondContact OH-CG1 3.4Å; Y59-Y165 HydrophobicContact CD1-CD1 4.05Å; Y59-Y165 AromaticContact CD1-CD2 3.94Å; Y59-Y165 HydrophobicContact CD1-CD2 3.94Å; Y59-Y165 AromaticContact CD1-CG 3.59Å; Y59-Y165 HydrophobicContact CD1-CG 3.59Å; Y59-Y165 HydrophobicContact CE1-CD1 4.15Å; Y59-Y165 AromaticContact CE1-CD2 3.27Å; Y59-Y165 HydrophobicContact CE1-CD2 3.27Å; Y59-Y165 AromaticContact CE1-CE2 3.83Å; Y59-Y165 HydrophobicContact CE1-CE2 3.83Å; Y59-Y165 AromaticContact CE1-CG 3.44Å; Y59-Y165 HydrophobicContact CE1-CG 3.44Å; Y59-Y165 VanDerWaalsContact CE1-CG 3.44Å; Y59-Y165 AromaticContact CZ-CD2 3.89Å
60Q93.9Very high95Very high15 Ų1544.8 Ų44.87%0.0723%0.23CC..  trans-70.4161.2170.2-64.5-63-43.600110.6Y62 E63 C169Q60-Y62 PolarHBondContact O-N 3.19Å; Q60-E63 HydrophobicContact CB-CG 4.05Å; Q60-E63 PolarHBondContact N-OE2 2.76Å; Q60-E63 WeakPolarHBondContact O-CB 3.4Å; Q60-E63 PolarHBondContact O-N 2.97Å; Q60-E63 VanDerWaalsContact O-N 3.08Å; Q60-C169 HydrophobicContact CG-CB 4.16Å
61P90.7Very high94.8Very high48 Ų4853.4 Ų53.431%0.31226%0.255SS..THydrogen-bonded Turntrans-49135.9171.2-28.636000111.4E63P61-E63 VanDerWaalsContact C-N 3.27Å; P61-E63 PolarHBondContact O-N 2.89Å
62Y88.6Confident94.6Very high237 Ų23754.1 Ų54.193%0.92926%0.26SS*.THydrogen-bonded Turntrans73.40.9-179.1-40.8-71.1000116.5Q60Q60-Y62 PolarHBondContact O-N 3.19Å
63E93Very high94.4Very high33 Ų3359 Ų5915%0.15429%0.291CS..SBendtrans-75.1149.9171.8-67.4-170.5146.700112.4Y59 Q60 P61 I65 Y165 S166Y59-E63 WeakPolarHBondContact CA-OE2 3.44Å; Y59-E63 HydrophobicContact CD1-CB 4.23Å; Q60-E63 HydrophobicContact CB-CG 4.05Å; Q60-E63 PolarHBondContact N-OE2 2.76Å; Q60-E63 WeakPolarHBondContact O-CB 3.4Å; Q60-E63 PolarHBondContact O-N 2.97Å; Q60-E63 VanDerWaalsContact O-N 3.08Å; P61-E63 VanDerWaalsContact C-N 3.27Å; P61-E63 PolarHBondContact O-N 2.89Å; E63-I65 PolarHBondContact O-N 3.29Å; E63-Y165 HydrophobicContact CB-CD1 4.18Å; E63-Y165 HydrophobicContact CG-CD1 4.46Å; E63-S166 WeakPolarHBondContact OE1-CB 3.28Å
64P92.2Very high94.2Very high75 Ų7560.6 Ų60.649%0.48730%0.297SS..  trans-75.699.6-17430.6-36.5000112.4Y59 Q68 Y165Y59-P64 WeakPolarHBondContact CE1-O 3.28Å; P64-Q68 PolarHBondContact O-NE2 3.13Å; P64-Y165 HydrophobicContact CG-CE1 3.56Å; P64-Y165 WeakPolarHBondContact CG-OH 3.47Å
65I94.1Very high94.1Very high22 Ų2262 Ų6211%0.11331%0.307CS..  trans-107.3-5.4173.9-159.3172.8000113.7Y59 E63 L67 Q68 S69 V75 L83Y59-I65 HydrophobicContact CD1-CB 4.06Å; Y59-I65 HydrophobicContact CD1-CG1 4.26Å; Y59-I65 HydrophobicContact CD2-CD1 3.59Å; Y59-I65 HydrophobicContact CD2-CG1 3.95Å; Y59-I65 HydrophobicContact CE1-CB 4.29Å; Y59-I65 HydrophobicContact CE1-CG1 4.25Å; Y59-I65 HydrophobicContact CE2-CD1 3.94Å; Y59-I65 HydrophobicContact CE2-CG1 3.95Å; Y59-I65 HydrophobicContact CG-CB 4.19Å; Y59-I65 HydrophobicContact CG-CD1 3.96Å; Y59-I65 HydrophobicContact CG-CG1 4.11Å; E63-I65 PolarHBondContact O-N 3.29Å; I65-L67 PolarHBondContact O-N 3.36Å; I65-Q68 HydrophobicContact CG1-CB 4.22Å; I65-Q68 CarbonylContact O-C 3.6Å; I65-Q68 PolarHBondContact O-N 3.14Å; I65-Q68 PolarHBondContact O-OE1 2.94Å; I65-S69 WeakPolarHBondContact O-CB 3.29Å; I65-S69 PolarHBondContact O-N 3.12Å; I65-S69 PolarHBondContact O-OG 2.86Å; I65-V75 HydrophobicContact CD1-CG1 4.06Å; I65-L83 HydrophobicContact CB-CD1 4.49Å; I65-L83 HydrophobicContact CD1-CB 3.82Å; I65-L83 HydrophobicContact CD1-CD1 3.62Å; I65-L83 HydrophobicContact CD1-CG 4.37Å; I65-L83 HydrophobicContact CG2-CD1 3.82Å
66L93.2Very high94Very high126 Ų12663 Ų6366%0.6631%0.312SS*.Hα-helixtrans-48.7-54.1-165.9178.262000112.9Q68 S69 I70L66-Q68 PolarHBondContact O-N 3.3Å; L66-S69 PolarHBondContact O-N 3.19Å; L66-S69 PolarHBondContact O-OG 3.14Å; L66-I70 WeakPolarHBondContact O-CG1 3.24Å; L66-I70 PolarHBondContact O-N 3.2Å
67L93.4Very high93.8Very high117 Ų11771.5 Ų71.561%0.61334%0.344SS*.Hα-helixtrans-66.5-37.4-176.6-63.4178.6000112.7I65 S69 I70I65-L67 PolarHBondContact O-N 3.36Å; L67-S69 VanDerWaalsContact C-N 3.29Å; L67-I70 HydrophobicContact CD2-CD1 4.44Å
68Q95.1Very high93.6Very high18 Ų1871.6 Ų71.68%0.08434%0.344CS..Hα-helixtrans-71.5-26.4178.8-54.991.5-57.600111.8Y59 P64 I65 L66 N72 I91 V95Y59-Q68 PolarHBondContact OH-NE2 2.8Å; P64-Q68 PolarHBondContact O-NE2 3.13Å; I65-Q68 HydrophobicContact CG1-CB 4.22Å; I65-Q68 CarbonylContact O-C 3.6Å; I65-Q68 PolarHBondContact O-N 3.14Å; I65-Q68 PolarHBondContact O-OE1 2.94Å; L66-Q68 PolarHBondContact O-N 3.3Å; Q68-N72 WeakPolarHBondContact O-CB 3.17Å; Q68-N72 PolarHBondContact O-ND2 3.25Å; Q68-I91 HydrophobicContact CG-CG2 4.02Å; Q68-V95 HydrophobicContact CG-CG2 4.26Å
69S93.1Very high93.4Very high45 Ų4578.4 Ų78.432%0.31538%0.379SS..Hα-helixtrans-85.4-17.7-177.271.80000114.5I65 L66 L67 R71 N72I65-S69 WeakPolarHBondContact O-CB 3.29Å; I65-S69 PolarHBondContact O-N 3.12Å; I65-S69 PolarHBondContact O-OG 2.86Å; L66-S69 PolarHBondContact O-N 3.19Å; L66-S69 PolarHBondContact O-OG 3.14Å; L67-S69 VanDerWaalsContact C-N 3.29Å; S69-R71 PolarHBondContact O-N 3.21Å; S69-R71 VanDerWaalsContact O-N 3.09Å; S69-N72 PolarHBondContact O-N 3.28Å
70I93Very high93.2Very high109 Ų10981.7 Ų81.756%0.55940%0.397SS*.THydrogen-bonded Turntrans-63.7115.4-177.5-67.7165000110.1L66 L67 N72L66-I70 WeakPolarHBondContact O-CG1 3.24Å; L66-I70 PolarHBondContact O-N 3.2Å; L67-I70 HydrophobicContact CD2-CD1 4.44Å; I70-N72 PolarHBondContact O-N 3.11Å
71R91.9Very high93.1Very high242 Ų24281.9 Ų81.991%0.91340%0.403SS*.THydrogen-bonded Turntrans5334.2-178.1-62.8-176173.1161.6-1.4113.3S69 P73S69-R71 PolarHBondContact O-N 3.21Å; S69-R71 VanDerWaalsContact O-N 3.09Å; R71-P73 WeakPolarHBondContact O-CD 3.39Å
72N94.7Very high93.3Very high16 Ų1679.6 Ų79.69%0.08639%0.388CS..  trans-102.5103.7177.6-174.3-6.3000110.4Q68 S69 I70 F74 V75 D85 N87 S92Q68-N72 WeakPolarHBondContact O-CB 3.17Å; Q68-N72 PolarHBondContact O-ND2 3.25Å; S69-N72 PolarHBondContact O-N 3.28Å; I70-N72 PolarHBondContact O-N 3.11Å; N72-F74 PolarHBondContact O-N 2.86Å; N72-F74 WeakPolarHBondContact OD1-CA 3.24Å; N72-F74 WeakPolarHBondContact OD1-CB 3.4Å; N72-F74 PolarHBondContact OD1-N 3.04Å; N72-V75 HydrophobicContact CB-CG2 3.96Å; N72-D85 PolarHBondContact ND2-OD1 3.22Å; N72-N87 WeakPolarHBondContact ND2-CB 3.39Å; N72-N87 WeakPolarHBondContact OD1-CB 3.31Å; N72-S92 PolarHBondContact ND2-OG 2.76Å
73P92.2Very high93.7Very high102 Ų10270 Ų7066%0.66235%0.353SS*.THydrogen-bonded Turntrans-75.4-7.2178.233.4-36.2000113R71R71-P73 WeakPolarHBondContact O-CD 3.39Å
74F95.5Very high93.9Very high53 Ų5368.5 Ų68.523%0.23235%0.345CS..THydrogen-bonded Turntrans-97.216.1-177.6-52.7-75.4000113.1Y54 N72 F76 G86 N87 Q128Y54-F74 VanDerWaalsContact OH-C 3.32Å; Y54-F74 WeakPolarHBondContact OH-CA 3.17Å; Y54-F74 PolarHBondContact OH-O 2.99Å; N72-F74 PolarHBondContact O-N 2.86Å; N72-F74 WeakPolarHBondContact OD1-CA 3.24Å; N72-F74 WeakPolarHBondContact OD1-CB 3.4Å; N72-F74 PolarHBondContact OD1-N 3.04Å; F74-F76 PolarHBondContact O-N 3.03Å; F74-G86 PolarHBondContact O-N 2.56Å; F74-N87 HydrophobicContact CB-CB 4.1Å; F74-N87 HydrophobicContact CD2-CB 3.96Å; F74-N87 HydrophobicContact CG-CB 4.43Å; F74-Q128 HydrophobicContact CD1-CB 4.01Å; F74-Q128 HydrophobicContact CD1-CG 4.36Å; F74-Q128 WeakPolarHBondContact CD1-O 3.35Å; F74-Q128 WeakPolarHBondContact CE1-O 3.23Å
75V95.9Very high94.1Very high42 Ų4265 Ų6526%0.25532%0.323SS..EExtended strand (participates in β ladder)trans-85.4106.1170.2-178.50000108.4I65 N72 L83 V84I65-V75 HydrophobicContact CD1-CG1 4.06Å; N72-V75 HydrophobicContact CB-CG2 3.96Å; V75-L83 HydrophobicContact CG1-CB 4.28Å; V75-L83 HydrophobicContact CG1-CD2 4.43Å; V75-V84 WeakPolarHBondContact CA-O 3.46Å
76F95.1Very high94.3Very high21 Ų2163.9 Ų63.99%0.09232%0.317CS..EExtended strand (participates in β ladder)trans-84.7137.3170.5-176.4-86000109.8Y54 F74 L83 V84 Y143 V177 I198Y54-F76 HydrophobicContact CD1-CB 4.24Å; Y54-F76 HydrophobicContact CE1-CB 3.8Å; F74-F76 PolarHBondContact O-N 3.03Å; F76-L83 CarbonylContact O-C 3.51Å; F76-L83 VanDerWaalsContact O-CA 3.3Å; F76-L83 WeakPolarHBondContact O-CA 3.49Å; F76-V84 HydrophobicContact CB-CB 4.27Å; F76-V84 PolarHBondContact N-O 2.99Å; F76-V84 PolarHBondContact O-N 2.95Å; F76-Y143 HydrophobicContact CD2-CD1 4.25Å; F76-Y143 HydrophobicContact CD2-CE1 4.26Å; F76-Y143 HydrophobicContact CD2-CG 4.49Å; F76-Y143 AromaticContact CE2-CD1 3.65Å; F76-Y143 HydrophobicContact CE2-CD1 3.65Å; F76-Y143 AromaticContact CE2-CD2 3.83Å; F76-Y143 HydrophobicContact CE2-CD2 3.83Å; F76-Y143 HydrophobicContact CE2-CE1 4.04Å; F76-Y143 HydrophobicContact CE2-CE2 4.22Å; F76-Y143 AromaticContact CE2-CG 3.52Å; F76-Y143 HydrophobicContact CE2-CG 3.52Å; F76-Y143 HydrophobicContact CZ-CD1 4.33Å; F76-Y143 HydrophobicContact CZ-CG 4.05Å; F76-V177 HydrophobicContact CD1-CG1 4.45Å; F76-V177 HydrophobicContact CD1-CG2 3.96Å; F76-V177 HydrophobicContact CE1-CG1 4.02Å; F76-V177 HydrophobicContact CE1-CG2 3.8Å; F76-V177 HydrophobicContact CE2-CG1 4.31Å; F76-V177 HydrophobicContact CZ-CG1 3.94Å; F76-I198 HydrophobicContact CZ-CD1 4.13Å; F76-I198 HydrophobicContact CZ-CG1 4.25Å
77R94.4Very high94.5Very high178 Ų17859.3 Ų59.367%0.67229%0.293SS*.EExtended strand (participates in β ladder)trans-114.2113.7176.3177.9173.6-177.4-172.11.5109.8L83 I198R77-L83 HydrophobicContact CB-CD2 3.66Å; R77-L83 HydrophobicContact CG-CD2 3.65Å; R77-I198 WeakPolarHBondContact O-CD1 3.42Å
78C94.2Very high94.7Very high3 Ų354.2 Ų54.22%0.0227%0.267CS..  trans-67160.2171.7-62.30000111.7D80 G81 V82 E145C78-D80 VanDerWaalsContact CB-OD1 3.31Å; C78-D80 WeakPolarHBondContact CB-OD1 3.32Å; C78-D80 PolarHBondContact O-N 3.43Å; C78-G81 PolarHBondContact O-N 3.13Å; C78-V82 HydrophobicContact CB-CB 3.98Å; C78-V82 VanDerWaalsContact CB-O 3.32Å; C78-V82 WeakPolarHBondContact CB-O 3.39Å; C78-V82 PolarHBondContact N-O 3.26Å; C78-E145 VanDerWaalsContact CA-OE1 3.23Å; C78-E145 WeakPolarHBondContact CA-OE1 3.36Å; C78-E145 WeakPolarHBondContact CB-OE1 3.4Å; C78-E145 WeakPolarHBondContact CB-OE2 3.47Å
79I92.1Very high94.7Very high143 Ų14361.5 Ų61.573%0.73329%0.293SS*.THydrogen-bonded Turntrans-59.6-34.2-177.4-165.3166.6000113G81 E145I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 2.7Å; I79-E145 PolarHBondContact N-OE1 3.01Å
80D91.3Very high94.9Very high71 Ų7161.8 Ų61.838%0.3830%0.304SS..THydrogen-bonded Turntrans-84.64.2179.164.7-5.9000113.7C78 V82 R175C78-D80 VanDerWaalsContact CB-OD1 3.31Å; C78-D80 WeakPolarHBondContact CB-OD1 3.32Å; C78-D80 PolarHBondContact O-N 3.43Å; D80-V82 VanDerWaalsContact C-N 3.35Å; D80-V82 WeakPolarHBondContact OD1-CB 3.36Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.5Å; D80-V82 PolarHBondContact OD1-N 2.76Å; D80-V82 VanDerWaalsContact OD1-N 3.15Å; D80-R175 VanDerWaalsContact CG-NH1 3.34Å; D80-R175 IonicContact OD1-NH1 3.01Å; D80-R175 PolarHBondContact OD1-NH1 2.81Å; D80-R175 IonicContact OD2-CZ 2.76Å; D80-R175 IonicContact OD2-NH1 2.77Å; D80-R175 PolarHBondContact OD2-NH1 2.92Å; D80-R175 IonicContact OD2-NH2 3.35Å; D80-R175 PolarHBondContact OD2-NH2 2.94Å
81G92.4Very high95Very high18 Ų1860.5 Ų60.519%0.18630%0.297CS..SBendtrans84.73.2179.700000114.8C78 I79C78-G81 PolarHBondContact O-N 3.13Å; I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 2.7Å
82V94Very high95.3Very high0 Ų049.2 Ų49.20%026%0.255CS..  trans-62.4140.2165.3173.20000109.2I58 C78 D80 R175I58-V82 HydrophobicContact CG2-CG1 3.47Å; I58-V82 VanDerWaalsContact CG2-CG1 3.47Å; C78-V82 HydrophobicContact CB-CB 3.98Å; C78-V82 VanDerWaalsContact CB-O 3.32Å; C78-V82 WeakPolarHBondContact CB-O 3.39Å; C78-V82 PolarHBondContact N-O 3.26Å; D80-V82 VanDerWaalsContact C-N 3.35Å; D80-V82 WeakPolarHBondContact OD1-CB 3.36Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.5Å; D80-V82 PolarHBondContact OD1-N 2.76Å; D80-V82 VanDerWaalsContact OD1-N 3.15Å; V82-R175 HydrophobicContact CG1-CB 4.46Å; V82-R175 HydrophobicContact CG1-CG 4.3Å
83L96.2Very high95.4Very high37 Ų3752 Ų5219%0.19427%0.265CS..EExtended strand (participates in β ladder)trans-113140.5178.1-53.2174.6000109.9I58 Y59 I65 V75 F76 R77I58-L83 CarbonylContact C-O 3.54Å; I58-L83 WeakPolarHBondContact CA-O 3.48Å; Y59-L83 PolarHBondContact N-O 3.47Å; Y59-L83 PolarHBondContact O-N 3.28Å; I65-L83 HydrophobicContact CB-CD1 4.49Å; I65-L83 HydrophobicContact CD1-CB 3.82Å; I65-L83 HydrophobicContact CD1-CD1 3.62Å; I65-L83 HydrophobicContact CD1-CG 4.37Å; I65-L83 HydrophobicContact CG2-CD1 3.82Å; V75-L83 HydrophobicContact CG1-CB 4.28Å; V75-L83 HydrophobicContact CG1-CD2 4.43Å; F76-L83 CarbonylContact O-C 3.51Å; F76-L83 VanDerWaalsContact O-CA 3.3Å; F76-L83 WeakPolarHBondContact O-CA 3.49Å; R77-L83 HydrophobicContact CB-CD2 3.66Å; R77-L83 HydrophobicContact CG-CD2 3.65Å
84V97.3Very high95.7Very high0 Ų052.9 Ų52.90%026%0.261CS..EExtended strand (participates in β ladder)trans-120114.4174-174.20000108.4Y54 T57 V75 F76 V177Y54-V84 HydrophobicContact CD1-CG1 4.03Å; Y54-V84 HydrophobicContact CE1-CG1 4.48Å; T57-V84 WeakPolarHBondContact O-CA 3.3Å; V75-V84 WeakPolarHBondContact CA-O 3.46Å; F76-V84 HydrophobicContact CB-CB 4.27Å; F76-V84 PolarHBondContact N-O 2.99Å; F76-V84 PolarHBondContact O-N 2.95Å; V84-V177 HydrophobicContact CG2-CG2 4.23Å
85D97.9Very high95.8Very high1 Ų151.5 Ų51.51%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-92.198.5177.717911.4000110.6G56 T57 Y59 N72 N87 S92G56-D85 CarbonylContact C-O 3.58Å; G56-D85 WeakPolarHBondContact CA-O 3.28Å; T57-D85 PolarHBondContact N-O 2.94Å; T57-D85 PolarHBondContact O-N 2.92Å; Y59-D85 HydrophobicContact CD2-CB 4.42Å; Y59-D85 HydrophobicContact CE2-CB 3.76Å; N72-D85 PolarHBondContact ND2-OD1 3.22Å; D85-N87 VanDerWaalsContact C-N 3.34Å; D85-N87 WeakPolarHBondContact OD1-CB 3.43Å; D85-N87 PolarHBondContact OD1-N 3.39Å; D85-N87 VanDerWaalsContact OD1-N 3.16Å; D85-S92 VanDerWaalsContact CG-OG 3.3Å; D85-S92 PolarHBondContact OD1-OG 3.49Å; D85-S92 WeakPolarHBondContact OD2-CB 3.49Å; D85-S92 PolarHBondContact OD2-OG 2.82Å
86G97.7Very high95.8Very high0 Ų049.5 Ų49.50%025%0.245CC..  trans-89.913.3-179.900000114.7P55 F74 D88 W115P55-G86 WeakPolarHBondContact O-CA 3.3Å; F74-G86 PolarHBondContact O-N 2.56Å; G86-D88 PolarHBondContact O-N 2.58Å; G86-W115 VanDerWaalsContact O-CZ3 3.31Å; G86-W115 WeakPolarHBondContact O-CZ3 3.48Å
87N97.3Very high95.9Very high29 Ų2954.5 Ų54.516%0.15526%0.263CS..  trans-75.9118.3-179.9-174.2-7.6000111.3N72 F74 D85 R89 S92N72-N87 WeakPolarHBondContact ND2-CB 3.39Å; N72-N87 WeakPolarHBondContact OD1-CB 3.31Å; F74-N87 HydrophobicContact CB-CB 4.1Å; F74-N87 HydrophobicContact CD2-CB 3.96Å; F74-N87 HydrophobicContact CG-CB 4.43Å; D85-N87 VanDerWaalsContact C-N 3.34Å; D85-N87 WeakPolarHBondContact OD1-CB 3.43Å; D85-N87 PolarHBondContact OD1-N 3.39Å; D85-N87 VanDerWaalsContact OD1-N 3.16Å; N87-R89 PolarHBondContact O-N 3.12Å; N87-R89 PolarHBondContact OD1-N 3.46Å; N87-S92 WeakPolarHBondContact O-CB 3.25Å
88D96.8Very high96Very high11 Ų1149.9 Ų49.96%0.05926%0.258CS..  trans-81.73.3-176.368.1-45.1000113.9G86 R93 W115 L116 Y129G86-D88 PolarHBondContact O-N 2.58Å; D88-R93 WeakPolarHBondContact O-CB 3.4Å; D88-R93 WeakPolarHBondContact O-CD 3.32Å; D88-R93 PolarHBondContact O-NH1 3.41Å; D88-W115 HydrophobicContact CB-CE3 4.26Å; D88-W115 HydrophobicContact CB-CZ3 3.79Å; D88-L116 HydrophobicContact CB-CD2 4.24Å; D88-Y129 PolarHBondContact OD1-OH 3.44Å; D88-Y129 PolarHBondContact OD2-OH 2.78Å
89R96.2Very high96.1Very high170 Ų17050 Ų5064%0.64226%0.259SS*.SBendtrans-123.5166.6-173.6-60.7176.6-174.6-174-1.9112.8N87 I91 S92 R93N87-R89 PolarHBondContact O-N 3.12Å; N87-R89 PolarHBondContact OD1-N 3.46Å; R89-I91 PolarHBondContact O-N 3.3Å; R89-S92 PolarHBondContact O-N 2.93Å; R89-R93 PolarHBondContact O-N 2.87Å
90G95.9Very high96.2Very high52 Ų5243.9 Ų43.954%0.53623%0.229SC..Hα-helixtrans55.7-135.3169.100000114.3M94G90-M94 WeakPolarHBondContact O-CG 3.35Å; G90-M94 PolarHBondContact O-N 2.77Å
91I96.1Very high96.3Very high82 Ų8243 Ų4342%0.42124%0.237SC..Hα-helixtrans-65.4-42.6-176.6-61176000111.2Q68 R89 R93 M94 V95Q68-I91 HydrophobicContact CG-CG2 4.02Å; R89-I91 PolarHBondContact O-N 3.3Å; I91-R93 VanDerWaalsContact C-N 3.34Å; I91-R93 PolarHBondContact O-N 2.92Å; I91-M94 HydrophobicContact CB-CE 4.3Å; I91-M94 HydrophobicContact CG1-CE 3.93Å; I91-M94 WeakPolarHBondContact O-CB 3.18Å; I91-M94 PolarHBondContact O-N 2.7Å; I91-V95 HydrophobicContact CG2-CG2 4.05Å; I91-V95 WeakPolarHBondContact O-CG2 3.27Å; I91-V95 PolarHBondContact O-N 2.86Å
92S97.6Very high96.4Very high5 Ų546.3 Ų46.34%0.03524%0.243CC..Hα-helixtrans-55.2-47.1178.6-61.70000112.5N72 D85 N87 R89 M94 V95 F96N72-S92 PolarHBondContact ND2-OG 2.76Å; D85-S92 VanDerWaalsContact CG-OG 3.3Å; D85-S92 PolarHBondContact OD1-OG 3.49Å; D85-S92 WeakPolarHBondContact OD2-CB 3.49Å; D85-S92 PolarHBondContact OD2-OG 2.82Å; N87-S92 WeakPolarHBondContact O-CB 3.25Å; R89-S92 PolarHBondContact O-N 2.93Å; S92-M94 VanDerWaalsContact C-N 3.34Å; S92-M94 PolarHBondContact O-N 2.79Å; S92-V95 PolarHBondContact O-N 3.25Å; S92-F96 PolarHBondContact O-N 2.86Å
93R97.6Very high96.2Very high74 Ų7448 Ų4828%0.27925%0.252SS..Hα-helixtrans-56.5-45.2172.5-176.5-171.3-176.8117.9-1.9112.8D88 R89 I91 R97 L116D88-R93 WeakPolarHBondContact O-CB 3.4Å; D88-R93 WeakPolarHBondContact O-CD 3.32Å; D88-R93 PolarHBondContact O-NH1 3.41Å; R89-R93 PolarHBondContact O-N 2.87Å; I91-R93 VanDerWaalsContact C-N 3.34Å; I91-R93 PolarHBondContact O-N 2.92Å; R93-R97 WeakPolarHBondContact O-CG 3.49Å; R93-R97 PolarHBondContact O-N 2.8Å; R93-R97 VanDerWaalsContact O-N 3.14Å; R93-L116 HydrophobicContact CB-CD2 4.37Å; R93-L116 HydrophobicContact CG-CB 4.46Å; R93-L116 HydrophobicContact CG-CD1 4.02Å; R93-L116 HydrophobicContact CG-CD2 4.07Å; R93-L116 HydrophobicContact CG-CG 4.43Å; R93-L116 PolarHBondContact NH1-O 2.92Å; R93-L116 PolarHBondContact NH2-O 3.1Å
94M97.4Very high95.9Very high121 Ų12152.9 Ų52.960%0.59627%0.268SS*.Hα-helixtrans-65.7-42.1-179.8-69-173.1-67.800111.3G90 I91 S92 R97 S98G90-M94 WeakPolarHBondContact O-CG 3.35Å; G90-M94 PolarHBondContact O-N 2.77Å; I91-M94 HydrophobicContact CB-CE 4.3Å; I91-M94 HydrophobicContact CG1-CE 3.93Å; I91-M94 WeakPolarHBondContact O-CB 3.18Å; I91-M94 PolarHBondContact O-N 2.7Å; S92-M94 VanDerWaalsContact C-N 3.34Å; S92-M94 PolarHBondContact O-N 2.79Å; M94-R97 PolarHBondContact O-N 3.36Å; M94-S98 WeakPolarHBondContact O-CB 3.49Å; M94-S98 PolarHBondContact O-N 3Å
95V97.5Very high95.5Very high23 Ų2357.5 Ų57.514%0.13929%0.292CS..Hα-helixtrans-63.8-47.1177.9174.90000110.8T57 Y59 Q68 I91 S92 R97 S98 C99 Y165T57-V95 HydrophobicContact CG2-CG1 4.13Å; Y59-V95 WeakPolarHBondContact OH-CG1 3.4Å; Q68-V95 HydrophobicContact CG-CG2 4.26Å; I91-V95 HydrophobicContact CG2-CG2 4.05Å; I91-V95 WeakPolarHBondContact O-CG2 3.27Å; I91-V95 PolarHBondContact O-N 2.86Å; S92-V95 PolarHBondContact O-N 3.25Å; V95-R97 PolarHBondContact O-N 3.09Å; V95-S98 WeakPolarHBondContact O-CB 3.49Å; V95-S98 PolarHBondContact O-N 3.01Å; V95-C99 PolarHBondContact O-N 2.79Å; V95-C99 PolarHBondContact O-SG 3.25Å; V95-Y165 HydrophobicContact CG1-CD2 3.82Å; V95-Y165 HydrophobicContact CG1-CE2 3.98Å
96F97.6Very high95Very high0 Ų060.1 Ų60.10%032%0.32CS..Hα-helixtrans-56.9-49.4177.3-173.1-80000111.4T57 S92 S98 C99 S100 D112 A113 W115 L116 P161 V163T57-F96 WeakPolarHBondContact OG1-CA 3.17Å; T57-F96 WeakPolarHBondContact OG1-CB 3.38Å; S92-F96 PolarHBondContact O-N 2.86Å; F96-S98 VanDerWaalsContact C-N 3.31Å; F96-S98 PolarHBondContact O-N 3.26Å; F96-C99 PolarHBondContact O-N 2.94Å; F96-S100 VanDerWaalsContact O-CB 3.31Å; F96-S100 WeakPolarHBondContact O-CB 3.36Å; F96-S100 PolarHBondContact O-N 3.39Å; F96-D112 WeakPolarHBondContact CZ-O 3.41Å; F96-A113 HydrophobicContact CE1-CB 4.06Å; F96-W115 HydrophobicContact CB-CZ2 4.43Å; F96-W115 HydrophobicContact CD1-CZ2 4.42Å; F96-W115 AromaticContact CD1-NE1 3.91Å; F96-W115 AromaticContact CD2-CZ2 3.54Å; F96-W115 HydrophobicContact CD2-CZ2 3.54Å; F96-W115 AromaticContact CD2-NE1 3.84Å; F96-W115 AromaticContact CE1-NE1 3.42Å; F96-W115 AromaticContact CE2-CE2 3.86Å; F96-W115 AromaticContact CE2-CZ2 3.83Å; F96-W115 HydrophobicContact CE2-CZ2 3.83Å; F96-W115 AromaticContact CE2-NE1 3.3Å; F96-W115 VanDerWaalsContact CE2-NE1 3.3Å; F96-W115 AromaticContact CG-CZ2 3.87Å; F96-W115 HydrophobicContact CG-CZ2 3.87Å; F96-W115 AromaticContact CZ-CD1 3.99Å; F96-W115 HydrophobicContact CZ-CZ2 4.42Å; F96-W115 AromaticContact CZ-NE1 3.08Å; F96-L116 HydrophobicContact CB-CD1 4.45Å; F96-L116 HydrophobicContact CD1-CD1 3.86Å; F96-L116 HydrophobicContact CD1-CG 4.49Å; F96-L116 HydrophobicContact CG-CD1 4.42Å; F96-P161 WeakPolarHBondContact CE2-O 3.26Å; F96-V163 HydrophobicContact CD2-CG1 3.52Å; F96-V163 HydrophobicContact CE2-CB 4.16Å; F96-V163 HydrophobicContact CE2-CG1 3.54Å; F96-V163 HydrophobicContact CG-CG1 4.06Å; F96-V163 HydrophobicContact CZ-CB 4.36Å; F96-V163 HydrophobicContact CZ-CG1 4.05Å
97R97.1Very high94.6Very high127 Ų12765 Ų6548%0.47935%0.352SS..Hα-helixtrans-60.5-40.3178.7-74.8177.1168.5-160.6-11.6112.5R93 M94 V95 G101 L116R93-R97 WeakPolarHBondContact O-CG 3.49Å; R93-R97 PolarHBondContact O-N 2.8Å; R93-R97 VanDerWaalsContact O-N 3.14Å; M94-R97 PolarHBondContact O-N 3.36Å; V95-R97 PolarHBondContact O-N 3.09Å; R97-G101 PolarHBondContact O-N 2.83Å; R97-L116 HydrophobicContact CG-CD1 3.59Å
98S96.1Very high94.2Very high81 Ų8168.5 Ų68.557%0.56636%0.363SS*.Hα-helixtrans-62-49.4176.3-173.70000111.2M94 V95 F96 G101 R102M94-S98 WeakPolarHBondContact O-CB 3.49Å; M94-S98 PolarHBondContact O-N 3Å; V95-S98 WeakPolarHBondContact O-CB 3.49Å; V95-S98 PolarHBondContact O-N 3.01Å; F96-S98 VanDerWaalsContact C-N 3.31Å; F96-S98 PolarHBondContact O-N 3.26Å; S98-G101 PolarHBondContact O-N 3.08Å; S98-R102 VanDerWaalsContact O-CB 3.26Å; S98-R102 WeakPolarHBondContact O-CB 3.48Å; S98-R102 PolarHBondContact O-N 2.99Å
99C95.4Very high94Very high4 Ų471.9 Ų71.93%0.02738%0.381CS..Hα-helixtrans-64.2-44.1179.3-59.70000111.6V95 F96 G101 R102 D103 V163V95-C99 PolarHBondContact O-N 2.79Å; V95-C99 PolarHBondContact O-SG 3.25Å; F96-C99 PolarHBondContact O-N 2.94Å; C99-G101 PolarHBondContact O-N 2.9Å; C99-R102 WeakPolarHBondContact O-CB 3.45Å; C99-R102 PolarHBondContact O-N 2.75Å; C99-D103 WeakPolarHBondContact O-CB 3.4Å; C99-D103 VanDerWaalsContact O-CG 3.29Å; C99-D103 PolarHBondContact O-N 2.91Å; C99-V163 HydrophobicContact CB-CB 4.42Å; C99-V163 HydrophobicContact CB-CG1 3.75Å; C99-V163 HydrophobicContact CB-CG2 3.73Å
100S94.4Very high93.8Very high16 Ų1664.7 Ų64.711%0.11236%0.356CS..Hα-helixtrans-60.3-43.8176.5-178.80000112.1F96 D103 R104 S111F96-S100 VanDerWaalsContact O-CB 3.31Å; F96-S100 WeakPolarHBondContact O-CB 3.36Å; F96-S100 PolarHBondContact O-N 3.39Å; S100-D103 PolarHBondContact O-N 3.14Å; S100-R104 PolarHBondContact O-N 3.31Å; S100-S111 VanDerWaalsContact CB-OG 3.27Å; S100-S111 WeakPolarHBondContact CB-OG 3.4Å; S100-S111 PolarHBondContact OG-OG 3.46Å
101G94.1Very high93.7Very high52 Ų5262.4 Ų62.454%0.53633%0.332SS..Hα-helixtrans-66.6-38.9176.400000113.2R97 S98 C99 R104R97-G101 PolarHBondContact O-N 2.83Å; S98-G101 PolarHBondContact O-N 3.08Å; C99-G101 PolarHBondContact O-N 2.9Å; G101-R104 WeakPolarHBondContact O-CB 3.35Å
102R93.4Very high93.7Very high88 Ų8858.7 Ų58.733%0.33231%0.313SS..Hα-helixtrans-64.7-39.5177.1-178.5-159.562.9-152.1-3.9112.2S98 C99 R104 N164 Y165 Q167S98-R102 VanDerWaalsContact O-CB 3.26Å; S98-R102 WeakPolarHBondContact O-CB 3.48Å; S98-R102 PolarHBondContact O-N 2.99Å; C99-R102 WeakPolarHBondContact O-CB 3.45Å; C99-R102 PolarHBondContact O-N 2.75Å; R102-R104 VanDerWaalsContact C-N 3.29Å; R102-R104 PolarHBondContact O-N 3.29Å; R102-N164 PolarHBondContact NH2-O 3.16Å; R102-Y165 PolarHBondContact NH1-O 2.94Å; R102-Y165 PolarHBondContact NH2-O 3.35Å; R102-Q167 VanDerWaalsContact CD-CD 3.45Å; R102-Q167 VanDerWaalsContact CD-NE2 3.34Å; R102-Q167 HydrophobicContact CG-CG 4.45Å; R102-Q167 VanDerWaalsContact CG-NE2 3.26Å
103D91.1Very high93.7Very high35 Ų3560.2 Ų60.219%0.18733%0.325CS..THydrogen-bonded Turntrans-88.66.3-173.7-64.1-12.4000113.3C99 S100 L105 T110 Q167C99-D103 WeakPolarHBondContact O-CB 3.4Å; C99-D103 VanDerWaalsContact O-CG 3.29Å; C99-D103 PolarHBondContact O-N 2.91Å; S100-D103 PolarHBondContact O-N 3.14Å; D103-L105 PolarHBondContact O-N 3.21Å; D103-T110 VanDerWaalsContact C-OG1 3.28Å; D103-T110 VanDerWaalsContact O-CG2 3.26Å; D103-T110 WeakPolarHBondContact O-CG2 3.43Å; D103-T110 PolarHBondContact O-OG1 3.24Å; D103-Q167 PolarHBondContact OD1-NE2 3.17Å
104R89.9Confident93.6Very high139 Ų13957.6 Ų57.653%0.52532%0.318SS..  trans-64131.2175.5-174.4-179.8176161.56.1110.8S100 G101 R102 G106 Y108S100-R104 PolarHBondContact O-N 3.31Å; G101-R104 WeakPolarHBondContact O-CB 3.35Å; R102-R104 VanDerWaalsContact C-N 3.29Å; R102-R104 PolarHBondContact O-N 3.29Å; R104-G106 PolarHBondContact NE-O 2.54Å; R104-Y108 WeakPolarHBondContact CG-O 3.21Å
105L87.6Confident93.6Very high97 Ų9751.9 Ų51.951%0.50829%0.29SS..BIsolated β-bridgetrans-109.190.6179-65.4-180000110.3D103 Y108 T110 L154D103-L105 PolarHBondContact O-N 3.21Å; L105-Y108 PolarHBondContact N-O 3.46Å; L105-Y108 VanDerWaalsContact N-O 3.13Å; L105-Y108 WeakPolarHBondContact O-CB 3.36Å; L105-Y108 WeakPolarHBondContact O-CD2 3.49Å; L105-Y108 PolarHBondContact O-N 3.3Å; L105-T110 HydrophobicContact CB-CG2 4.47Å; L105-T110 HydrophobicContact CD1-CG2 4.27Å; L105-T110 HydrophobicContact CG-CG2 4.13Å; L105-L154 HydrophobicContact CD1-CD1 4.04Å; L105-L154 HydrophobicContact CD1-CD2 4.39Å
106G89Confident93.6Very high57 Ų5750.9 Ų50.959%0.58828%0.284SS*.THydrogen-bonded Turntrans56.9-121.1-178.100000111.8R104 Y108R104-G106 PolarHBondContact NE-O 2.54Å; G106-Y108 VanDerWaalsContact C-N 3.27Å; G106-Y108 PolarHBondContact O-N 2.86Å
107P87.9Confident93.4Very high102 Ų10253.6 Ų53.666%0.66230%0.301SS*.THydrogen-bonded Turntrans-73.3-17.8176.932.3-34.6000113.2
108Y89.2Confident93.1Very high103 Ų10354 Ų5440%0.40431%0.312SS..BIsolated β-bridgetrans-84.7126.4-172.2-58-77.1000112.2R104 L105 G106 L154 E155R104-Y108 WeakPolarHBondContact CG-O 3.21Å; L105-Y108 PolarHBondContact N-O 3.46Å; L105-Y108 VanDerWaalsContact N-O 3.13Å; L105-Y108 WeakPolarHBondContact O-CB 3.36Å; L105-Y108 WeakPolarHBondContact O-CD2 3.49Å; L105-Y108 PolarHBondContact O-N 3.3Å; G106-Y108 VanDerWaalsContact C-N 3.27Å; G106-Y108 PolarHBondContact O-N 2.86Å; Y108-L154 HydrophobicContact CD2-CD2 4.04Å; Y108-L154 HydrophobicContact CG-CD2 4.11Å; Y108-L154 HydrophobicContact CG-CG 4.38Å; Y108-E155 HydrophobicContact CD1-CG 4.32Å; Y108-E155 HydrophobicContact CE1-CG 3.91Å
109L92Very high92.8Very high81 Ų8154.1 Ų54.142%0.42431%0.313SS..  trans-80.4136.8166-61.6176.3000109.2Q158L109-Q158 HydrophobicContact CB-CB 3.81Å; L109-Q158 WeakPolarHBondContact O-CB 3.41Å; L109-Q158 PolarHBondContact O-N 2.84Å
110T91.9Very high92.7Very high19 Ų1954.4 Ų54.412%0.11732%0.315CS..  trans-111.60-173.750.80000113.4D103 L105 L154 R157D103-T110 VanDerWaalsContact C-OG1 3.28Å; D103-T110 VanDerWaalsContact O-CG2 3.26Å; D103-T110 WeakPolarHBondContact O-CG2 3.43Å; D103-T110 PolarHBondContact O-OG1 3.24Å; L105-T110 HydrophobicContact CB-CG2 4.47Å; L105-T110 HydrophobicContact CD1-CG2 4.27Å; L105-T110 HydrophobicContact CG-CG2 4.13Å; T110-L154 HydrophobicContact CG2-CD1 4.04Å; T110-R157 CarbonylContact C-O 3.51Å
111S95Very high92.6Very high4 Ų458.3 Ų58.33%0.02833%0.334CS..SBendtrans-155153.6171.452.40000110.6S100 R157 L160S100-S111 VanDerWaalsContact CB-OG 3.27Å; S100-S111 WeakPolarHBondContact CB-OG 3.4Å; S100-S111 PolarHBondContact OG-OG 3.46Å; S111-R157 WeakPolarHBondContact CA-O 3.35Å; S111-L160 CarbonylContact C-O 3.58Å; S111-L160 WeakPolarHBondContact CA-O 3.46Å
112D96.1Very high92.6Very high5 Ų556.8 Ų56.83%0.02731%0.314CS..  trans-81.9116.1171.5-172.40.8000109.2F96 S114 W115 N122 Q158 L160F96-D112 WeakPolarHBondContact CZ-O 3.41Å; D112-S114 WeakPolarHBondContact OD1-CB 3.5Å; D112-S114 PolarHBondContact OD1-N 3.44Å; D112-S114 PolarHBondContact OD1-OG 3.06Å; D112-S114 PolarHBondContact OD2-OG 2.91Å; D112-S114 VanDerWaalsContact OD2-OG 3.08Å; D112-W115 PolarHBondContact O-NE1 3.08Å; D112-N122 WeakPolarHBondContact OD2-CB 3.35Å; D112-N122 PolarHBondContact OD2-N 2.74Å; D112-Q158 VanDerWaalsContact CA-O 3.25Å; D112-Q158 WeakPolarHBondContact CA-O 3.31Å; D112-Q158 VanDerWaalsContact CB-O 3.23Å; D112-Q158 WeakPolarHBondContact CB-O 3.33Å; D112-Q158 PolarHBondContact N-O 2.81Å; D112-L160 PolarHBondContact N-O 3.47Å
113A97Very high92.7Very high36 Ų3654 Ų5430%0.29831%0.307SS..  trans-97.7-3.1174.600000113.3F96 W115 L116F96-A113 HydrophobicContact CE1-CB 4.06Å; A113-W115 VanDerWaalsContact C-N 3.28Å; A113-W115 PolarHBondContact O-N 2.67Å; A113-L116 WeakPolarHBondContact O-CB 3.46Å; A113-L116 PolarHBondContact O-N 3.42Å
114S96.4Very high93Very high19 Ų1953.3 Ų53.313%0.13330%0.303CS..G310 helixtrans-72.1-19.9-177.270.50000113.1D112 L116 T117 P120 L121D112-S114 WeakPolarHBondContact OD1-CB 3.5Å; D112-S114 PolarHBondContact OD1-N 3.44Å; D112-S114 PolarHBondContact OD1-OG 3.06Å; D112-S114 PolarHBondContact OD2-OG 2.91Å; D112-S114 VanDerWaalsContact OD2-OG 3.08Å; S114-L116 PolarHBondContact O-N 3.23Å; S114-L116 VanDerWaalsContact O-N 3.1Å; S114-T117 WeakPolarHBondContact O-CB 3.36Å; S114-T117 PolarHBondContact O-N 3.1Å; S114-T117 PolarHBondContact O-OG1 3.17Å; S114-P120 VanDerWaalsContact OG-CA 3.32Å; S114-P120 WeakPolarHBondContact OG-CA 3.27Å; S114-L121 WeakPolarHBondContact OG-CB 3.34Å; S114-L121 PolarHBondContact OG-N 3.31Å
115W96.9Very high93.3Very high2 Ų246.7 Ų46.71%0.00828%0.279CS..G310 helixtrans-60.1-18.5172.177.6-98000114.1P55 G86 D88 F96 D112 A113 T117 P120 A125 P161P55-W115 HydrophobicContact CB-CB 4.26Å; P55-W115 HydrophobicContact CB-CD2 3.44Å; P55-W115 VanDerWaalsContact CB-CD2 3.44Å; P55-W115 HydrophobicContact CB-CE3 3.71Å; P55-W115 HydrophobicContact CB-CG 3.68Å; P55-W115 HydrophobicContact CB-CH2 4.44Å; P55-W115 HydrophobicContact CB-CZ2 4.23Å; P55-W115 HydrophobicContact CB-CZ3 4.19Å; P55-W115 HydrophobicContact CG-CD2 3.79Å; P55-W115 HydrophobicContact CG-CE3 3.48Å; P55-W115 VanDerWaalsContact CG-CE3 3.48Å; P55-W115 HydrophobicContact CG-CG 4.28Å; P55-W115 HydrophobicContact CG-CH2 4.43Å; P55-W115 HydrophobicContact CG-CZ3 3.83Å; G86-W115 VanDerWaalsContact O-CZ3 3.31Å; G86-W115 WeakPolarHBondContact O-CZ3 3.48Å; D88-W115 HydrophobicContact CB-CE3 4.26Å; D88-W115 HydrophobicContact CB-CZ3 3.79Å; F96-W115 HydrophobicContact CB-CZ2 4.43Å; F96-W115 HydrophobicContact CD1-CZ2 4.42Å; F96-W115 AromaticContact CD1-NE1 3.91Å; F96-W115 AromaticContact CD2-CZ2 3.54Å; F96-W115 HydrophobicContact CD2-CZ2 3.54Å; F96-W115 AromaticContact CD2-NE1 3.84Å; F96-W115 AromaticContact CE1-NE1 3.42Å; F96-W115 AromaticContact CE2-CE2 3.86Å; F96-W115 AromaticContact CE2-CZ2 3.83Å; F96-W115 HydrophobicContact CE2-CZ2 3.83Å; F96-W115 AromaticContact CE2-NE1 3.3Å; F96-W115 VanDerWaalsContact CE2-NE1 3.3Å; F96-W115 AromaticContact CG-CZ2 3.87Å; F96-W115 HydrophobicContact CG-CZ2 3.87Å; F96-W115 AromaticContact CZ-CD1 3.99Å; F96-W115 HydrophobicContact CZ-CZ2 4.42Å; F96-W115 AromaticContact CZ-NE1 3.08Å; D112-W115 PolarHBondContact O-NE1 3.08Å; A113-W115 VanDerWaalsContact C-N 3.28Å; A113-W115 PolarHBondContact O-N 2.67Å; W115-T117 PolarHBondContact O-N 3.34Å; W115-T117 VanDerWaalsContact O-N 3.17Å; W115-P120 HydrophobicContact CB-CB 4.36Å; W115-A125 HydrophobicContact CB-CB 3.8Å; W115-P161 HydrophobicContact CG-CB 4.34Å
116L97.1Very high93.8Very high1 Ų142.4 Ų42.41%0.00526%0.256CS..G310 helixtrans-74.16.8171.2-58.8172.9000113.3D88 R93 F96 R97 A113 S114D88-L116 HydrophobicContact CB-CD2 4.24Å; R93-L116 HydrophobicContact CB-CD2 4.37Å; R93-L116 HydrophobicContact CG-CB 4.46Å; R93-L116 HydrophobicContact CG-CD1 4.02Å; R93-L116 HydrophobicContact CG-CD2 4.07Å; R93-L116 HydrophobicContact CG-CG 4.43Å; R93-L116 PolarHBondContact NH1-O 2.92Å; R93-L116 PolarHBondContact NH2-O 3.1Å; F96-L116 HydrophobicContact CB-CD1 4.45Å; F96-L116 HydrophobicContact CD1-CD1 3.86Å; F96-L116 HydrophobicContact CD1-CG 4.49Å; F96-L116 HydrophobicContact CG-CD1 4.42Å; R97-L116 HydrophobicContact CG-CD1 3.59Å; A113-L116 WeakPolarHBondContact O-CB 3.46Å; A113-L116 PolarHBondContact O-N 3.42Å; S114-L116 PolarHBondContact O-N 3.23Å; S114-L116 VanDerWaalsContact O-N 3.1Å
117T94.1Very high94.2Very high57 Ų5739.7 Ų39.735%0.3523%0.228SC..SBendtrans-126.3174.9-179.579.10000110.8R26 S114 W115 S119R26-T117 PolarHBondContact NH1-O 2.79Å; R26-T117 PolarHBondContact NH2-O 3.38Å; S114-T117 WeakPolarHBondContact O-CB 3.36Å; S114-T117 PolarHBondContact O-N 3.1Å; S114-T117 PolarHBondContact O-OG1 3.17Å; W115-T117 PolarHBondContact O-N 3.34Å; W115-T117 VanDerWaalsContact O-N 3.17Å; T117-S119 PolarHBondContact O-N 3.37Å; T117-S119 PolarHBondContact OG1-N 3.49Å; T117-S119 PolarHBondContact OG1-O 3.33Å
118D90Very high94.6Very high135 Ų13535 Ų3572%0.72220%0.198SC*.SBendtrans-75.1-9.8179.6-64.9-35000113.8R26R26-D118 PolarHBondContact NH2-O 3.36Å
119S89.6Confident95Very high84 Ų8431.2 Ų31.259%0.58718%0.183SC*.SBendtrans-139.689.5-178.3-55.70000110.5T117T117-S119 PolarHBondContact O-N 3.37Å; T117-S119 PolarHBondContact OG1-N 3.49Å; T117-S119 PolarHBondContact OG1-O 3.33Å
120P93.6Very high95.3Very high10 Ų1027.4 Ų27.47%0.06516%0.163CC..  trans-74.2139.1177.628.5-32.4000112.3S114 W115 N122 A125 V126S114-P120 VanDerWaalsContact OG-CA 3.32Å; S114-P120 WeakPolarHBondContact OG-CA 3.27Å; W115-P120 HydrophobicContact CB-CB 4.36Å; P120-N122 VanDerWaalsContact C-N 3.27Å; P120-N122 WeakPolarHBondContact CB-O 3.49Å; P120-N122 WeakPolarHBondContact CG-O 3.46Å; P120-N122 CarbonylContact O-C 3.56Å; P120-N122 PolarHBondContact O-N 3.34Å; P120-A125 HydrophobicContact CB-CB 4.3Å; P120-V126 HydrophobicContact CG-CG1 4.05Å
121L93.1Very high95.5Very high98 Ų9827.4 Ų27.451%0.51316%0.162SC..SBendtrans-58-38.3171.9-68.5174.9000112.1S114 P123S114-L121 WeakPolarHBondContact OG-CB 3.34Å; S114-L121 PolarHBondContact OG-N 3.31Å; L121-P123 VanDerWaalsContact O-CD 3.3Å; L121-P123 WeakPolarHBondContact O-CD 3.21Å
122N94.6Very high95.5Very high21 Ų2129.3 Ų29.311%0.11217%0.172CC..SBendtrans-91.3104.7163.2179.9-3.5000109.2M53 D112 P120 L124 A125 Y159M53-N122 PolarHBondContact SD-ND2 2.78Å; M53-N122 VanDerWaalsContact SD-ND2 3.43Å; D112-N122 WeakPolarHBondContact OD2-CB 3.35Å; D112-N122 PolarHBondContact OD2-N 2.74Å; P120-N122 VanDerWaalsContact C-N 3.27Å; P120-N122 WeakPolarHBondContact CB-O 3.49Å; P120-N122 WeakPolarHBondContact CG-O 3.46Å; P120-N122 CarbonylContact O-C 3.56Å; P120-N122 PolarHBondContact O-N 3.34Å; N122-L124 PolarHBondContact O-N 3.07Å; N122-L124 VanDerWaalsContact OD1-CB 3.31Å; N122-L124 WeakPolarHBondContact OD1-CB 3.25Å; N122-L124 PolarHBondContact OD1-N 3.19Å; N122-A125 HydrophobicContact CB-CB 4.33Å; N122-A125 WeakPolarHBondContact O-CB 3.23Å; N122-A125 PolarHBondContact O-N 2.77Å; N122-Y159 PolarHBondContact ND2-O 3.24Å
123P94.9Very high95.3Very high29 Ų2930.4 Ų30.419%0.18818%0.18CC..THydrogen-bonded Turntrans-61.5-18-177.3-26.238.2000114.1E12 L16 L121 A125E12-P123 HydrophobicContact CB-CG 4.39Å; L16-P123 HydrophobicContact CB-CG 4.48Å; L16-P123 HydrophobicContact CD1-CB 4.42Å; L16-P123 HydrophobicContact CD2-CB 3.92Å; L121-P123 VanDerWaalsContact O-CD 3.3Å; L121-P123 WeakPolarHBondContact O-CD 3.21Å; P123-A125 VanDerWaalsContact C-N 3.31Å
124L96.7Very high94.9Very high20 Ų2030.4 Ų30.411%0.10518%0.177CC..THydrogen-bonded Turntrans-77.1-15.4177.1-56.7-175.2000113L16 L20 F22 I24 V51 A52 M53 N122 V126L16-L124 HydrophobicContact CD1-CD2 3.9Å; L16-L124 HydrophobicContact CD1-CG 4.22Å; L20-L124 HydrophobicContact CD1-CD1 4.08Å; L20-L124 HydrophobicContact CD1-CD2 4.22Å; F22-L124 HydrophobicContact CE2-CD2 4.46Å; I24-L124 HydrophobicContact CD1-CD2 4.2Å; V51-L124 WeakPolarHBondContact O-CD2 3.47Å; A52-L124 CarbonylContact C-O 3.56Å; A52-L124 WeakPolarHBondContact CA-O 3.42Å; M53-L124 HydrophobicContact CG-CB 4.14Å; M53-L124 PolarHBondContact N-O 2.72Å; N122-L124 PolarHBondContact O-N 3.07Å; N122-L124 VanDerWaalsContact OD1-CB 3.31Å; N122-L124 WeakPolarHBondContact OD1-CB 3.25Å; N122-L124 PolarHBondContact OD1-N 3.19Å; L124-V126 PolarHBondContact O-N 3.5Å
125A97.5Very high94.5Very high1 Ų137.3 Ų37.31%0.00821%0.213CC..THydrogen-bonded Turntrans-76.751.6-174.900000113.7W115 P120 N122 P123 P161W115-A125 HydrophobicContact CB-CB 3.8Å; P120-A125 HydrophobicContact CB-CB 4.3Å; N122-A125 HydrophobicContact CB-CB 4.33Å; N122-A125 WeakPolarHBondContact O-CB 3.23Å; N122-A125 PolarHBondContact O-N 2.77Å; P123-A125 VanDerWaalsContact C-N 3.31Å; A125-P161 HydrophobicContact CB-CB 3.63Å; A125-P161 HydrophobicContact CB-CG 3.9Å
126V97.6Very high94.1Very high6 Ų644 Ų444%0.03624%0.244CC..THydrogen-bonded Turntrans-131.611.4-176.1-62.60000113.1I24 R26 V38 P120 L124 Q128 Y129I24-V126 HydrophobicContact CD1-CG2 3.6Å; R26-V126 HydrophobicContact CG-CB 4.31Å; R26-V126 HydrophobicContact CG-CG1 4.17Å; V38-V126 HydrophobicContact CG1-CG2 4.04Å; V38-V126 HydrophobicContact CG2-CB 4.33Å; V38-V126 HydrophobicContact CG2-CG2 4.04Å; P120-V126 HydrophobicContact CG-CG1 4.05Å; L124-V126 PolarHBondContact O-N 3.5Å; V126-Q128 VanDerWaalsContact CA-OE1 3.28Å; V126-Q128 PolarHBondContact O-N 3.48Å; V126-Q128 VanDerWaalsContact O-N 3.14Å; V126-Q128 PolarHBondContact O-OE1 3.13Å; V126-Y129 PolarHBondContact O-N 3.44Å
127G97.6Very high93.8Very high0 Ų049.5 Ų49.50%027%0.265CS..G310 helixtrans-59.7-25.8-174.100000114.8M53 Y129 I130M53-G127 WeakPolarHBondContact O-CA 3.45Å; M53-G127 PolarHBondContact O-N 2.83Å; G127-Y129 PolarHBondContact O-N 3.03Å; G127-I130 WeakPolarHBondContact O-CB 3.33Å; G127-I130 PolarHBondContact O-N 2.93Å; G127-I130 VanDerWaalsContact O-N 3.17Å
128Q96.8Very high93.9Very high5 Ų550.9 Ų50.92%0.02328%0.275CS..G310 helixtrans-66.1-16.7176.377.7-79.928.200114Y54 P55 F74 V126Y54-Q128 HydrophobicContact CE1-CB 4.38Å; Y54-Q128 HydrophobicContact CE2-CB 4.1Å; P55-Q128 HydrophobicContact CG-CG 4.36Å; F74-Q128 HydrophobicContact CD1-CB 4.01Å; F74-Q128 HydrophobicContact CD1-CG 4.36Å; F74-Q128 WeakPolarHBondContact CD1-O 3.35Å; F74-Q128 WeakPolarHBondContact CE1-O 3.23Å; V126-Q128 VanDerWaalsContact CA-OE1 3.28Å; V126-Q128 PolarHBondContact O-N 3.48Å; V126-Q128 VanDerWaalsContact O-N 3.14Å; V126-Q128 PolarHBondContact O-OE1 3.13Å
129Y97.4Very high94.2Very high23 Ų2345.9 Ų45.99%0.0925%0.253CS..G310 helixtrans-98.23.4176.4-60.7-71.2000113.4R26 T36 G37 D88 V126 G127 N131R26-Y129 HydrophobicContact CG-CD2 4.14Å; R26-Y129 VanDerWaalsContact NH1-CE2 3.27Å; T36-Y129 HydrophobicContact CG2-CD1 4.17Å; T36-Y129 HydrophobicContact CG2-CG 4.3Å; G37-Y129 WeakPolarHBondContact CA-O 3.49Å; D88-Y129 PolarHBondContact OD1-OH 3.44Å; D88-Y129 PolarHBondContact OD2-OH 2.78Å; V126-Y129 PolarHBondContact O-N 3.44Å; G127-Y129 PolarHBondContact O-N 3.03Å; Y129-N131 PolarHBondContact O-N 3.3Å
130I97.6Very high94.6Very high0 Ų042 Ų420%023%0.225CC..  trans-77.5112.7173.9-68.2177000108V38 A52 G127 V141 L179 L191 Y195V38-I130 HydrophobicContact CB-CG1 3.84Å; V38-I130 HydrophobicContact CG2-CG1 3.72Å; A52-I130 HydrophobicContact CB-CD1 3.76Å; G127-I130 WeakPolarHBondContact O-CB 3.33Å; G127-I130 PolarHBondContact O-N 2.93Å; G127-I130 VanDerWaalsContact O-N 3.17Å; I130-V141 HydrophobicContact CG2-CG2 3.89Å; I130-L179 HydrophobicContact CB-CD2 4.09Å; I130-L179 HydrophobicContact CD1-CB 4.38Å; I130-L179 HydrophobicContact CD1-CD1 4.15Å; I130-L179 HydrophobicContact CD1-CD2 3.58Å; I130-L179 HydrophobicContact CD1-CG 4.24Å; I130-L179 HydrophobicContact CG1-CD2 4.39Å; I130-L179 HydrophobicContact CG2-CD2 3.92Å; I130-L191 HydrophobicContact CD1-CB 4.12Å; I130-L191 HydrophobicContact CD1-CD1 3.87Å; I130-L191 HydrophobicContact CG1-CB 4.14Å; I130-L191 HydrophobicContact CG2-CB 4.16Å; I130-Y195 PolarHBondContact O-OH 2.76Å
131N96.5Very high94.8Very high20 Ų2041.6 Ų41.611%0.10722%0.222CC..EExtended strand (participates in β ladder)trans-70.9162.6-175-73.5-54.9000112.7S29 L31 T36 Y129 F192 S193 Y195S29-N131 WeakPolarHBondContact CB-ND2 3.32Å; S29-N131 PolarHBondContact OG-ND2 2.83Å; L31-N131 HydrophobicContact CD1-CB 4.4Å; T36-N131 PolarHBondContact O-ND2 2.73Å; Y129-N131 PolarHBondContact O-N 3.3Å; N131-F192 HydrophobicContact CB-CD1 4.09Å; N131-F192 HydrophobicContact CB-CE1 4.17Å; N131-F192 WeakPolarHBondContact O-CA 3.26Å; N131-S193 PolarHBondContact O-N 3.19Å; N131-Y195 WeakPolarHBondContact CA-OH 3.42Å
132N94.4Very high95Very high43 Ų4337.7 Ų37.723%0.2320%0.203CC..EExtended strand (participates in β ladder)trans-69.5147.1171.3-165.746.7000110.5S193 Y195N132-S193 CarbonylContact C-O 3.56Å; N132-S193 WeakPolarHBondContact CA-O 3.38Å; N132-S193 PolarHBondContact OD1-O 3.05Å; N132-Y195 HydrophobicContact CB-CD1 3.8Å; N132-Y195 HydrophobicContact CB-CD2 3.8Å; N132-Y195 HydrophobicContact CB-CE1 3.71Å; N132-Y195 HydrophobicContact CB-CE2 3.72Å; N132-Y195 HydrophobicContact CB-CG 3.85Å; N132-Y195 VanDerWaalsContact N-CE1 3.34Å; N132-Y195 VanDerWaalsContact N-CZ 3.33Å; N132-Y195 PolarHBondContact N-OH 2.94Å; N132-Y195 WeakPolarHBondContact OD1-CD1 3.4Å; N132-Y195 PolarHBondContact OD1-N 3.36Å
133C91.8Very high95Very high29 Ų2937.1 Ų37.120%0.19620%0.199CC..PPolyproline II helixtrans-64.8154.5171.262.50000111.7R137 A139 F192 S193C133-R137 CarbonylContact C-O 3.58Å; C133-R137 WeakPolarHBondContact CA-O 3.1Å; C133-R137 WeakPolarHBondContact CB-O 3.26Å; C133-A139 HydrophobicContact CB-CB 3.91Å; C133-A139 VanDerWaalsContact CB-N 3.32Å; C133-F192 HydrophobicContact CB-CB 4.33Å; C133-S193 PolarHBondContact N-O 3.28Å
134S89.7Confident95.1Very high35 Ų3539.4 Ų39.425%0.24521%0.207CC..  trans-121.7176.316881.70000110E136 R137S134-E136 WeakPolarHBondContact CB-OE2 3.27Å; S134-E136 PolarHBondContact O-N 3.03Å; S134-E136 PolarHBondContact OG-N 3.36Å; S134-E136 PolarHBondContact OG-OE2 3.36Å; S134-R137 PolarHBondContact N-O 2.95Å; S134-R137 CarbonylContact O-C 3.58Å; S134-R137 VanDerWaalsContact O-C 3.22Å; S134-R137 PolarHBondContact O-N 2.96Å; S134-R137 VanDerWaalsContact O-O 3.09Å; S134-R137 PolarHBondContact OG-N 3.34Å; S134-R137 VanDerWaalsContact OG-N 3.13Å
135N86.2Confident95Very high164 Ų16440 Ų4088%0.87721%0.21SC*.SBendtrans-59.7-33.3174.8-68.3-26.5000111.9
136E90.1Very high94.9Very high144 Ų14445.8 Ų45.867%0.67323%0.232SC*.SBendtrans-86.9-23.5179.6-5174.9-160.500112.5S134S134-E136 WeakPolarHBondContact CB-OE2 3.27Å; S134-E136 PolarHBondContact O-N 3.03Å; S134-E136 PolarHBondContact OG-N 3.36Å; S134-E136 PolarHBondContact OG-OE2 3.36Å
137R91.1Very high94.8Very high115 Ų11548.7 Ų48.743%0.43425%0.247SC..SBendtrans-124.282.8-176.8-62.8-59.3-166.31733.4109.8S30 L31 C133 S134 F192S30-R137 PolarHBondContact OG-NH2 3.49Å; L31-R137 HydrophobicContact CD2-CB 4.3Å; L31-R137 HydrophobicContact CD2-CG 3.68Å; L31-R137 HydrophobicContact CG-CG 4.45Å; C133-R137 CarbonylContact C-O 3.58Å; C133-R137 WeakPolarHBondContact CA-O 3.1Å; C133-R137 WeakPolarHBondContact CB-O 3.26Å; S134-R137 PolarHBondContact N-O 2.95Å; S134-R137 CarbonylContact O-C 3.58Å; S134-R137 VanDerWaalsContact O-C 3.22Å; S134-R137 PolarHBondContact O-N 2.96Å; S134-R137 VanDerWaalsContact O-O 3.09Å; S134-R137 PolarHBondContact OG-N 3.34Å; S134-R137 VanDerWaalsContact OG-N 3.13Å; R137-F192 HydrophobicContact CB-CD2 3.98Å; R137-F192 HydrophobicContact CB-CE1 4.36Å; R137-F192 HydrophobicContact CB-CE2 3.76Å; R137-F192 HydrophobicContact CB-CG 4.34Å; R137-F192 HydrophobicContact CB-CZ 3.96Å; R137-F192 HydrophobicContact CG-CE2 4Å; R137-F192 HydrophobicContact CG-CZ 3.96Å
138P94.4Very high94.6Very high87 Ų8749 Ų4957%0.56525%0.25SC*.  trans-66.1151-177.527.6-35000111.5N140P138-N140 PolarHBondContact O-N 3.38Å
139A96.8Very high94.4Very high30 Ų3051.2 Ų51.225%0.24826%0.264CS..  trans-59.3131.8175.400000110.5C133 L182 F192 N194C133-A139 HydrophobicContact CB-CB 3.91Å; C133-A139 VanDerWaalsContact CB-N 3.32Å; A139-L182 HydrophobicContact CB-CD1 4.36Å; A139-F192 CarbonylContact C-O 3.46Å; A139-F192 VanDerWaalsContact CA-O 3.24Å; A139-F192 WeakPolarHBondContact CA-O 3.43Å; A139-N194 HydrophobicContact CB-CB 4.34Å
140N97.8Very high94Very high3 Ų356.4 Ų56.42%0.01629%0.293CS..  trans-116.6-3.1174.25710.6000112P138 L182 R183 I185 E190 L191 F192P138-N140 PolarHBondContact O-N 3.38Å; N140-L182 PolarHBondContact O-N 3.08Å; N140-R183 HydrophobicContact CB-CG 4.39Å; N140-I185 HydrophobicContact CB-CD1 4.12Å; N140-I185 HydrophobicContact CB-CG1 4.47Å; N140-E190 PolarHBondContact ND2-O 3.09Å; N140-L191 WeakPolarHBondContact OD1-CA 3.35Å; N140-F192 PolarHBondContact N-O 2.92Å; N140-F192 PolarHBondContact OD1-N 3.47Å; N140-F192 PolarHBondContact OD1-O 3.46Å
141V98Very high93.7Very high0 Ų061.6 Ų61.60%033%0.33CS..EExtended strand (participates in β ladder)trans-135154.8173-58.70000110.8V51 I130 L179 V180 I185 L191 F192 S193V51-V141 HydrophobicContact CG2-CB 4.33Å; V51-V141 HydrophobicContact CG2-CG1 3.6Å; I130-V141 HydrophobicContact CG2-CG2 3.89Å; V141-L179 HydrophobicContact CB-CB 4.41Å; V141-L179 HydrophobicContact CG2-CB 4.48Å; V141-L179 HydrophobicContact CG2-CD2 3.8Å; V141-V180 CarbonylContact C-O 3.51Å; V141-V180 WeakPolarHBondContact CA-O 3.41Å; V141-I185 HydrophobicContact CG1-CD1 3.93Å; V141-L191 HydrophobicContact CG1-CB 4.47Å; V141-L191 HydrophobicContact CG1-CD2 4Å; V141-L191 HydrophobicContact CG2-CB 4.47Å; V141-F192 VanDerWaalsContact CG2-O 3.29Å; V141-F192 WeakPolarHBondContact CG2-O 3.42Å; V141-F192 PolarHBondContact N-O 3.31Å; V141-F192 VanDerWaalsContact N-O 3.12Å; V141-S193 WeakPolarHBondContact O-CA 3.42Å
142C96.8Very high93.6Very high16 Ų1663.3 Ų63.311%0.10834%0.336CS..EExtended strand (participates in β ladder)trans-129.9155.9173.265.50000111.5L179 V180 L182 V199C142-L179 CarbonylContact O-C 3.55Å; C142-L179 VanDerWaalsContact O-CA 3.28Å; C142-L179 WeakPolarHBondContact O-CA 3.49Å; C142-V180 PolarHBondContact N-O 3.49Å; C142-V180 PolarHBondContact O-N 2.83Å; C142-L182 HydrophobicContact CB-CD1 4.32Å; C142-L182 HydrophobicContact CB-CD2 3.86Å; C142-L182 HydrophobicContact CB-CG 4.18Å; C142-L182 VanDerWaalsContact SG-CD2 3.57Å; C142-V199 HydrophobicContact CB-CG2 4.33Å
143Y96.5Very high93.6Very high10 Ų1064.1 Ų64.14%0.03934%0.344CS..EExtended strand (participates in β ladder)trans-77.6136174.5-61-78000110.3Y54 F76 V177 V178 L179 S193 Y195Y54-Y143 AromaticContact CD2-CE1 3.86Å; Y54-Y143 HydrophobicContact CD2-CE1 3.86Å; Y54-Y143 HydrophobicContact CE2-CE1 4.29Å; F76-Y143 HydrophobicContact CD2-CD1 4.25Å; F76-Y143 HydrophobicContact CD2-CE1 4.26Å; F76-Y143 HydrophobicContact CD2-CG 4.49Å; F76-Y143 AromaticContact CE2-CD1 3.65Å; F76-Y143 HydrophobicContact CE2-CD1 3.65Å; F76-Y143 AromaticContact CE2-CD2 3.83Å; F76-Y143 HydrophobicContact CE2-CD2 3.83Å; F76-Y143 HydrophobicContact CE2-CE1 4.04Å; F76-Y143 HydrophobicContact CE2-CE2 4.22Å; F76-Y143 AromaticContact CE2-CG 3.52Å; F76-Y143 HydrophobicContact CE2-CG 3.52Å; F76-Y143 HydrophobicContact CZ-CD1 4.33Å; F76-Y143 HydrophobicContact CZ-CG 4.05Å; Y143-V177 HydrophobicContact CD1-CG1 3.85Å; Y143-V177 HydrophobicContact CG-CG1 4.46Å; Y143-V178 CarbonylContact C-O 3.49Å; Y143-V178 WeakPolarHBondContact CA-O 2.97Å; Y143-L179 HydrophobicContact CD1-CD1 4.32Å; Y143-L179 HydrophobicContact CD1-CD2 4.01Å; Y143-L179 HydrophobicContact CD1-CG 3.89Å; Y143-L179 HydrophobicContact CE1-CD1 4.16Å; Y143-L179 HydrophobicContact CE1-CD2 3.64Å; Y143-L179 HydrophobicContact CE1-CG 3.92Å; Y143-S193 WeakPolarHBondContact CE2-OG 3.39Å; Y143-S193 PolarHBondContact OH-OG 3.04Å; Y143-Y195 HydrophobicContact CE2-CD1 4.42Å
144Q96.1Very high93.5Very high76 Ų7665 Ų6536%0.35535%0.347SS..EExtended strand (participates in β ladder)trans-128.5125.3171.3-174.170.17300108.9V177 V178 V180 V199Q144-V177 WeakPolarHBondContact O-CA 3.16Å; Q144-V178 HydrophobicContact CB-CG2 3.87Å; Q144-V178 PolarHBondContact N-O 3.43Å; Q144-V178 PolarHBondContact O-N 3.01Å; Q144-V180 HydrophobicContact CB-CG2 3.96Å; Q144-V199 PolarHBondContact NE2-O 3.15Å
145E95.3Very high93.7Very high33 Ų3367.8 Ų67.815%0.15436%0.356CS..EExtended strand (participates in β ladder)trans-79.4138.2173.4-59.9-179.1-152.300110.5C78 I79 R175 V177 I198C78-E145 VanDerWaalsContact CA-OE1 3.23Å; C78-E145 WeakPolarHBondContact CA-OE1 3.36Å; C78-E145 WeakPolarHBondContact CB-OE1 3.4Å; C78-E145 WeakPolarHBondContact CB-OE2 3.47Å; I79-E145 PolarHBondContact N-OE1 3.01Å; E145-R175 IonicContact OE2-CZ 3.88Å; E145-R175 IonicContact OE2-NH1 2.72Å; E145-R175 PolarHBondContact OE2-NH1 3.26Å; E145-V177 HydrophobicContact CG-CG2 4.48Å; E145-I198 HydrophobicContact CG-CG2 4.43Å
146Y94.2Very high94.1Very high123 Ų12363.9 Ų63.948%0.48234%0.335SS..EExtended strand (participates in β ladder)trans-142.8125.3179.4179.5-100.5000110.6V148 P149 C176Y146-V148 HydrophobicContact CD1-CG2 4.23Å; Y146-V148 HydrophobicContact CE1-CG2 4.16Å; Y146-P149 WeakPolarHBondContact OH-CD 3.31Å; Y146-C176 PolarHBondContact N-O 3.37Å; Y146-C176 PolarHBondContact O-N 3.21Å; Y146-C176 VanDerWaalsContact O-O 3.13Å
147D95Very high94.3Very high66 Ų6660.8 Ų60.835%0.35332%0.317SS..EExtended strand (participates in β ladder)trans-91.5119.1173.4-78.1-30.6000109.8P173 R175D147-P173 HydrophobicContact CB-CB 3.87Å; D147-P173 HydrophobicContact CB-CG 3.59Å; D147-R175 IonicContact OD1-CZ 3.19Å; D147-R175 IonicContact OD1-NE 3.58Å; D147-R175 PolarHBondContact OD1-NE 3.14Å; D147-R175 IonicContact OD1-NH2 3.48Å; D147-R175 PolarHBondContact OD1-NH2 3.27Å; D147-R175 IonicContact OD2-CZ 3.41Å; D147-R175 IonicContact OD2-NE 3.07Å; D147-R175 IonicContact OD2-NH2 3.99Å; D147-R175 PolarHBondContact OD2-NH2 3.4Å
148V94.1Very high94.5Very high8 Ų858.6 Ų58.65%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-68125.3179.4179.20000109.1Y146 F152 L160 P173 L174 C176Y146-V148 HydrophobicContact CD1-CG2 4.23Å; Y146-V148 HydrophobicContact CE1-CG2 4.16Å; V148-F152 HydrophobicContact CG1-CB 3.51Å; V148-F152 HydrophobicContact CG1-CD1 4.04Å; V148-F152 HydrophobicContact CG1-CD2 4.05Å; V148-F152 HydrophobicContact CG1-CG 3.6Å; V148-L160 HydrophobicContact CG1-CD1 4.21Å; V148-L160 HydrophobicContact CG2-CD1 4.17Å; V148-P173 VanDerWaalsContact O-CB 3.27Å; V148-P173 WeakPolarHBondContact O-CB 3.31Å; V148-L174 HydrophobicContact CB-CB 4.18Å; V148-L174 HydrophobicContact CG2-CB 4.36Å; V148-L174 HydrophobicContact CG2-CD2 4.42Å; V148-L174 WeakPolarHBondContact CG2-O 3.5Å; V148-L174 PolarHBondContact N-O 3.41Å; V148-C176 HydrophobicContact CG2-CB 4.49Å
149P92.9Very high94.5Very high50 Ų5059.7 Ų59.733%0.32531%0.305SS..PPolyproline II helixtrans-68.3149.5-176.927.4-34.4000111.4Y146 S151 F152Y146-P149 WeakPolarHBondContact OH-CD 3.31Å; P149-S151 PolarHBondContact O-N 2.98Å; P149-S151 VanDerWaalsContact O-N 3.13Å; P149-F152 HydrophobicContact CG-CB 4.32Å; P149-F152 WeakPolarHBondContact O-CB 3.38Å; P149-F152 PolarHBondContact O-N 3.38Å
150D88.4Confident94.6Very high132 Ų13259 Ų5971%0.70630%0.297SS*.THydrogen-bonded Turntrans-60-28.3178.8-67.1-31.9000113F152D150-F152 PolarHBondContact O-N 3.46Å
151S91.9Very high94.5Very high109 Ų10958.9 Ų58.976%0.76230%0.297SS*.THydrogen-bonded Turntrans-74.2-1.4175.263.20000114.1P149P149-S151 PolarHBondContact O-N 2.98Å; P149-S151 VanDerWaalsContact O-N 3.13Å
152F93.4Very high94.5Very high56 Ų5658.9 Ų58.925%0.24630%0.297CS..SBendtrans-64128.3179.1-172.2-93.9000110.7V148 P149 D150 L154 L156 R157 L160V148-F152 HydrophobicContact CG1-CB 3.51Å; V148-F152 HydrophobicContact CG1-CD1 4.04Å; V148-F152 HydrophobicContact CG1-CD2 4.05Å; V148-F152 HydrophobicContact CG1-CG 3.6Å; P149-F152 HydrophobicContact CG-CB 4.32Å; P149-F152 WeakPolarHBondContact O-CB 3.38Å; P149-F152 PolarHBondContact O-N 3.38Å; D150-F152 PolarHBondContact O-N 3.46Å; F152-L154 PolarHBondContact O-N 2.81Å; F152-L156 HydrophobicContact CE1-CB 3.6Å; F152-L156 HydrophobicContact CZ-CB 3.72Å; F152-L156 HydrophobicContact CZ-CD1 4.5Å; F152-R157 HydrophobicContact CD1-CG 3.8Å; F152-R157 HydrophobicContact CE1-CG 4.06Å; F152-L160 HydrophobicContact CD1-CD1 4.21Å; F152-L160 HydrophobicContact CE1-CD1 3.84Å; F152-L160 HydrophobicContact CE1-CG 4.32Å; F152-L160 HydrophobicContact CZ-CD1 4.41Å
153P94.2Very high94.5Very high61 Ų6158.3 Ų58.340%0.39629%0.293SS..  trans-54.9130.7-174.6-26.834.6000112.8E155 L156P153-E155 PolarHBondContact O-N 3.27Å; P153-L156 HydrophobicContact CB-CB 4.43Å; P153-L156 HydrophobicContact CB-CD1 4.15Å; P153-L156 HydrophobicContact CB-CG 4.13Å; P153-L156 HydrophobicContact CG-CD1 4.1Å; P153-L156 PolarHBondContact O-N 2.89Å; P153-L156 VanDerWaalsContact O-N 3.14Å
154L91.3Very high94.4Very high48 Ų4859 Ų5925%0.25130%0.297SS..G310 helixtrans-59.6-39.4-177177.260.8000111.4L105 Y108 T110 F152 L156 R157L105-L154 HydrophobicContact CD1-CD1 4.04Å; L105-L154 HydrophobicContact CD1-CD2 4.39Å; Y108-L154 HydrophobicContact CD2-CD2 4.04Å; Y108-L154 HydrophobicContact CG-CD2 4.11Å; Y108-L154 HydrophobicContact CG-CG 4.38Å; T110-L154 HydrophobicContact CG2-CD1 4.04Å; F152-L154 PolarHBondContact O-N 2.81Å; L154-L156 PolarHBondContact O-N 2.83Å; L154-R157 WeakPolarHBondContact O-CB 3.42Å; L154-R157 PolarHBondContact O-N 2.87Å; L154-R157 VanDerWaalsContact O-N 3.14Å
155E93Very high94.4Very high93 Ų9358.7 Ų58.744%0.43529%0.293SS..G310 helixtrans-64.2-25.9-178.2-58.677.1-169.200112.4Y108 P153 Q158Y108-E155 HydrophobicContact CD1-CG 4.32Å; Y108-E155 HydrophobicContact CE1-CG 3.91Å; P153-E155 PolarHBondContact O-N 3.27Å; E155-Q158 WeakPolarHBondContact O-CG 3.49Å; E155-Q158 PolarHBondContact O-NE2 2.81Å
156L94.5Very high94.1Very high82 Ų8258.1 Ų58.143%0.42929%0.293SS..G310 helixtrans-89.2-12.2180-62.1-177.9000112.6F152 P153 L154 Q158 Y159F152-L156 HydrophobicContact CE1-CB 3.6Å; F152-L156 HydrophobicContact CZ-CB 3.72Å; F152-L156 HydrophobicContact CZ-CD1 4.5Å; P153-L156 HydrophobicContact CB-CB 4.43Å; P153-L156 HydrophobicContact CB-CD1 4.15Å; P153-L156 HydrophobicContact CB-CG 4.13Å; P153-L156 HydrophobicContact CG-CD1 4.1Å; P153-L156 PolarHBondContact O-N 2.89Å; P153-L156 VanDerWaalsContact O-N 3.14Å; L154-L156 PolarHBondContact O-N 2.83Å; L156-Q158 PolarHBondContact O-N 2.79Å; L156-Y159 HydrophobicContact CD2-CD2 4.4Å; L156-Y159 HydrophobicContact CD2-CE2 4.34Å; L156-Y159 PolarHBondContact O-N 2.78Å; L156-Y159 VanDerWaalsContact O-N 3.11Å
157R94.5Very high93.3Very high78 Ų7856.9 Ų56.929%0.29429%0.291SS..G310 helixtrans-63.6-23.8178.9-64.1-170.9-173.8-166.5-2.4112.6T110 S111 F152 L154 Y159 L160T110-R157 CarbonylContact C-O 3.51Å; S111-R157 WeakPolarHBondContact CA-O 3.35Å; F152-R157 HydrophobicContact CD1-CG 3.8Å; F152-R157 HydrophobicContact CE1-CG 4.06Å; L154-R157 WeakPolarHBondContact O-CB 3.42Å; L154-R157 PolarHBondContact O-N 2.87Å; L154-R157 VanDerWaalsContact O-N 3.14Å; R157-Y159 PolarHBondContact O-N 3.43Å; R157-L160 HydrophobicContact CB-CD1 4.4Å; R157-L160 HydrophobicContact CG-CD1 4.25Å; R157-L160 WeakPolarHBondContact O-CB 3.13Å; R157-L160 PolarHBondContact O-N 2.95Å
158Q95Very high92Very high70 Ų7062 Ų6233%0.32731%0.313SS..G310 helixtrans-59-15.3174.174-175.4-59.600114.3L109 D112 E155 L156L109-Q158 HydrophobicContact CB-CB 3.81Å; L109-Q158 WeakPolarHBondContact O-CB 3.41Å; L109-Q158 PolarHBondContact O-N 2.84Å; D112-Q158 VanDerWaalsContact CA-O 3.25Å; D112-Q158 WeakPolarHBondContact CA-O 3.31Å; D112-Q158 VanDerWaalsContact CB-O 3.23Å; D112-Q158 WeakPolarHBondContact CB-O 3.33Å; D112-Q158 PolarHBondContact N-O 2.81Å; E155-Q158 WeakPolarHBondContact O-CG 3.49Å; E155-Q158 PolarHBondContact O-NE2 2.81Å; L156-Q158 PolarHBondContact O-N 2.79Å
159Y95.6Very high90.4Very high109 Ų10962.9 Ų62.943%0.42732%0.319SS..G310 helixtrans-102-3.2177.3-57.3-69.2000113.4N122 L156 R157N122-Y159 PolarHBondContact ND2-O 3.24Å; L156-Y159 HydrophobicContact CD2-CD2 4.4Å; L156-Y159 HydrophobicContact CD2-CE2 4.34Å; L156-Y159 PolarHBondContact O-N 2.78Å; L156-Y159 VanDerWaalsContact O-N 3.11Å; R157-Y159 PolarHBondContact O-N 3.43Å
160L97Very high88.6Confident17 Ų1766.1 Ų66.19%0.08934%0.338CS..  trans-84.1121.8176.7-63.5175.8000109.2M53 S111 D112 V148 F152 R157 N162 L174M53-L160 HydrophobicContact CE-CD2 4.06Å; S111-L160 CarbonylContact C-O 3.58Å; S111-L160 WeakPolarHBondContact CA-O 3.46Å; D112-L160 PolarHBondContact N-O 3.47Å; V148-L160 HydrophobicContact CG1-CD1 4.21Å; V148-L160 HydrophobicContact CG2-CD1 4.17Å; F152-L160 HydrophobicContact CD1-CD1 4.21Å; F152-L160 HydrophobicContact CE1-CD1 3.84Å; F152-L160 HydrophobicContact CE1-CG 4.32Å; F152-L160 HydrophobicContact CZ-CD1 4.41Å; R157-L160 HydrophobicContact CB-CD1 4.4Å; R157-L160 HydrophobicContact CG-CD1 4.25Å; R157-L160 WeakPolarHBondContact O-CB 3.13Å; R157-L160 PolarHBondContact O-N 2.95Å; L160-N162 PolarHBondContact O-N 3.27Å; L160-N162 VanDerWaalsContact O-N 3.08Å; L160-L174 HydrophobicContact CB-CD2 4.21Å; L160-L174 HydrophobicContact CD1-CD2 3.77Å
161P97.6Very high87.4Confident0 Ų068.8 Ų68.80%035%0.346CS..  trans-87.427.3-173.639.6-39.1000112.5M53 P55 G56 F96 W115 A125M53-P161 HydrophobicContact CB-CG 3.97Å; M53-P161 HydrophobicContact CE-CG 4.27Å; M53-P161 HydrophobicContact SD-CG 4.3Å; P55-P161 WeakPolarHBondContact CA-O 3.35Å; P55-P161 HydrophobicContact CB-CB 3.69Å; P55-P161 HydrophobicContact CB-CG 4.13Å; G56-P161 PolarHBondContact N-O 3.46Å; F96-P161 WeakPolarHBondContact CE2-O 3.26Å; W115-P161 HydrophobicContact CG-CB 4.34Å; A125-P161 HydrophobicContact CB-CB 3.63Å; A125-P161 HydrophobicContact CB-CG 3.9Å
162N97.6Very high86.6Confident0 Ų070 Ų700%033%0.334CS..EExtended strand (participates in β ladder)trans-126.1145.5-176.2-55.899.6000110.7Y54 G56 I58 L160 L174 C176Y54-N162 PolarHBondContact O-ND2 3.02Å; G56-N162 PolarHBondContact N-ND2 2.92Å; G56-N162 WeakPolarHBondContact O-CA 3.36Å; I58-N162 HydrophobicContact CD1-CB 3.95Å; I58-N162 HydrophobicContact CG1-CB 4.32Å; L160-N162 PolarHBondContact O-N 3.27Å; L160-N162 VanDerWaalsContact O-N 3.08Å; N162-L174 HydrophobicContact CB-CD1 4.35Å; N162-L174 HydrophobicContact CB-CD2 4.32Å; N162-L174 HydrophobicContact CB-CG 4.35Å; N162-C176 PolarHBondContact OD1-SG 3.32Å
163V95.8Very high86.2Confident4 Ų469.3 Ų69.32%0.02434%0.335CS..EExtended strand (participates in β ladder)trans-144.6140.9177.369.80000110.2G56 T57 I58 F96 C99G56-V163 PolarHBondContact O-N 2.61Å; T57-V163 CarbonylContact C-O 3.53Å; T57-V163 WeakPolarHBondContact CA-O 3.38Å; T57-V163 HydrophobicContact CG2-CG1 4.39Å; I58-V163 PolarHBondContact N-O 3.22Å; F96-V163 HydrophobicContact CD2-CG1 3.52Å; F96-V163 HydrophobicContact CE2-CB 4.16Å; F96-V163 HydrophobicContact CE2-CG1 3.54Å; F96-V163 HydrophobicContact CG-CG1 4.06Å; F96-V163 HydrophobicContact CZ-CB 4.36Å; F96-V163 HydrophobicContact CZ-CG1 4.05Å; C99-V163 HydrophobicContact CB-CB 4.42Å; C99-V163 HydrophobicContact CB-CG1 3.75Å; C99-V163 HydrophobicContact CB-CG2 3.73Å
164N95.3Very high86.1Confident23 Ų2367.8 Ų67.812%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-74137176.2-75.7-39.4000111.1R102R102-N164 PolarHBondContact NH2-O 3.16Å
165Y95.1Very high86.3Confident70 Ų7066.4 Ų66.428%0.27532%0.315SS..SBendtrans-63.9-45.4176174.7-100.3000111.6T57 I58 Y59 E63 P64 V95 R102T57-Y165 HydrophobicContact CG2-CD2 4.37Å; I58-Y165 VanDerWaalsContact O-CB 3.26Å; I58-Y165 WeakPolarHBondContact O-CB 3.12Å; I58-Y165 PolarHBondContact O-N 2.81Å; Y59-Y165 HydrophobicContact CD1-CD1 4.05Å; Y59-Y165 AromaticContact CD1-CD2 3.94Å; Y59-Y165 HydrophobicContact CD1-CD2 3.94Å; Y59-Y165 AromaticContact CD1-CG 3.59Å; Y59-Y165 HydrophobicContact CD1-CG 3.59Å; Y59-Y165 HydrophobicContact CE1-CD1 4.15Å; Y59-Y165 AromaticContact CE1-CD2 3.27Å; Y59-Y165 HydrophobicContact CE1-CD2 3.27Å; Y59-Y165 AromaticContact CE1-CE2 3.83Å; Y59-Y165 HydrophobicContact CE1-CE2 3.83Å; Y59-Y165 AromaticContact CE1-CG 3.44Å; Y59-Y165 HydrophobicContact CE1-CG 3.44Å; Y59-Y165 VanDerWaalsContact CE1-CG 3.44Å; Y59-Y165 AromaticContact CZ-CD2 3.89Å; E63-Y165 HydrophobicContact CB-CD1 4.18Å; E63-Y165 HydrophobicContact CG-CD1 4.46Å; P64-Y165 HydrophobicContact CG-CE1 3.56Å; P64-Y165 WeakPolarHBondContact CG-OH 3.47Å; V95-Y165 HydrophobicContact CG1-CD2 3.82Å; V95-Y165 HydrophobicContact CG1-CE2 3.98Å; R102-Y165 PolarHBondContact NH1-O 2.94Å; R102-Y165 PolarHBondContact NH2-O 3.35Å
166S89.1Confident86.4Confident22 Ų2262 Ų6215%0.15430%0.295CS..  trans-106.4145.6178.4-174.20000112.9E63 H168E63-S166 WeakPolarHBondContact OE1-CB 3.28Å; S166-H168 VanDerWaalsContact C-N 3.32Å; S166-H168 PolarHBondContact OG-CD2 2.93Å; S166-H168 PolarHBondContact OG-N 3.36Å; S166-H168 VanDerWaalsContact OG-N 3.13Å
167Q77.6Confident86.6Confident97 Ų9758.1 Ų58.145%0.45327%0.274SS..G310 helixtrans-77-20.2169.7-62-168.1-44.300112.9R102 D103 C169 T170R102-Q167 VanDerWaalsContact CD-CD 3.45Å; R102-Q167 VanDerWaalsContact CD-NE2 3.34Å; R102-Q167 HydrophobicContact CG-CG 4.45Å; R102-Q167 VanDerWaalsContact CG-NE2 3.26Å; D103-Q167 PolarHBondContact OD1-NE2 3.17Å; Q167-C169 PolarHBondContact O-N 2.94Å; Q167-T170 WeakPolarHBondContact O-CG2 3.46Å; Q167-T170 PolarHBondContact O-N 2.84Å; Q167-T170 PolarHBondContact O-OG1 2.93Å
168H68Low86.7Confident173 Ų17355.3 Ų55.380%0.80127%0.266SS*.G310 helixtrans-70.8-12.9-177.8-61.4-61.7000112.6S166 T170S166-H168 VanDerWaalsContact C-N 3.32Å; S166-H168 PolarHBondContact OG-CD2 2.93Å; S166-H168 PolarHBondContact OG-N 3.36Å; S166-H168 VanDerWaalsContact OG-N 3.13Å; H168-T170 VanDerWaalsContact C-N 3.28Å; H168-T170 PolarHBondContact O-N 3.26Å
169C59.9Low86.8Confident27 Ų2752 Ų5218%0.18225%0.25CS..G310 helixtrans-89.820.2176-62.40000113.1Q60 Q167 Q171 R172Q60-C169 HydrophobicContact CG-CB 4.16Å; Q167-C169 PolarHBondContact O-N 2.94Å; C169-Q171 PolarHBondContact O-N 3.39Å; C169-R172 PolarHBondContact O-N 3.2Å
170T56.9Low86.9Confident118 Ų11848 Ų4872%0.72424%0.238SC*.THydrogen-bonded Turntrans-56.1-15.4175.740.80000114.7Q167 H168Q167-T170 WeakPolarHBondContact O-CG2 3.46Å; Q167-T170 PolarHBondContact O-N 2.84Å; Q167-T170 PolarHBondContact O-OG1 2.93Å; H168-T170 VanDerWaalsContact C-N 3.28Å; H168-T170 PolarHBondContact O-N 3.26Å
171Q62.7Low87Confident188 Ų18847.4 Ų47.488%0.87924%0.235SC*.THydrogen-bonded Turntrans-82.9-11172.1-65.6-163.6-11.100114.2C169C169-Q171 PolarHBondContact O-N 3.39Å
172R73.7Confident87Confident133 Ų13351.1 Ų51.150%0.50225%0.254SS..SBendtrans-100.8136.5177.3-70.9-169.6174-142.9-7.7109.9C169C169-R172 PolarHBondContact O-N 3.2Å
173P86.3Confident87Confident43 Ų4355.6 Ų55.628%0.27927%0.271SS..  trans-60.6156.4176.227.1-34.7000110.5D147 V148 R175D147-P173 HydrophobicContact CB-CB 3.87Å; D147-P173 HydrophobicContact CB-CG 3.59Å; V148-P173 VanDerWaalsContact O-CB 3.27Å; V148-P173 WeakPolarHBondContact O-CB 3.31Å; P173-R175 PolarHBondContact O-N 2.96Å
174L92.5Very high87.1Confident29 Ų2959.4 Ų59.415%0.15229%0.291CS..EExtended strand (participates in β ladder)trans-69.2113.9173-175.178.6000108.6I58 V148 L160 N162 C176I58-L174 HydrophobicContact CD1-CD1 3.42Å; I58-L174 VanDerWaalsContact CD1-CD1 3.42Å; I58-L174 HydrophobicContact CD1-CG 3.98Å; V148-L174 HydrophobicContact CB-CB 4.18Å; V148-L174 HydrophobicContact CG2-CB 4.36Å; V148-L174 HydrophobicContact CG2-CD2 4.42Å; V148-L174 WeakPolarHBondContact CG2-O 3.5Å; V148-L174 PolarHBondContact N-O 3.41Å; L160-L174 HydrophobicContact CB-CD2 4.21Å; L160-L174 HydrophobicContact CD1-CD2 3.77Å; N162-L174 HydrophobicContact CB-CD1 4.35Å; N162-L174 HydrophobicContact CB-CD2 4.32Å; N162-L174 HydrophobicContact CB-CG 4.35Å; L174-C176 PolarHBondContact O-N 3.45Å
175R94.7Very high87.3Confident19 Ų1958.3 Ų58.37%0.07229%0.285CS..EExtended strand (participates in β ladder)trans-74117.5174.4176.7635773.613.1110.2I58 D80 V82 E145 D147 P173I58-R175 HydrophobicContact CD1-CB 4.24Å; I58-R175 WeakPolarHBondContact CD1-O 3.3Å; I58-R175 HydrophobicContact CG2-CB 4.35Å; D80-R175 VanDerWaalsContact CG-NH1 3.34Å; D80-R175 IonicContact OD1-NH1 3.01Å; D80-R175 PolarHBondContact OD1-NH1 2.81Å; D80-R175 IonicContact OD2-CZ 2.76Å; D80-R175 IonicContact OD2-NH1 2.77Å; D80-R175 PolarHBondContact OD2-NH1 2.92Å; D80-R175 IonicContact OD2-NH2 3.35Å; D80-R175 PolarHBondContact OD2-NH2 2.94Å; V82-R175 HydrophobicContact CG1-CB 4.46Å; V82-R175 HydrophobicContact CG1-CG 4.3Å; E145-R175 IonicContact OE2-CZ 3.88Å; E145-R175 IonicContact OE2-NH1 2.72Å; E145-R175 PolarHBondContact OE2-NH1 3.26Å; D147-R175 IonicContact OD1-CZ 3.19Å; D147-R175 IonicContact OD1-NE 3.58Å; D147-R175 PolarHBondContact OD1-NE 3.14Å; D147-R175 IonicContact OD1-NH2 3.48Å; D147-R175 PolarHBondContact OD1-NH2 3.27Å; D147-R175 IonicContact OD2-CZ 3.41Å; D147-R175 IonicContact OD2-NE 3.07Å; D147-R175 IonicContact OD2-NH2 3.99Å; D147-R175 PolarHBondContact OD2-NH2 3.4Å; P173-R175 PolarHBondContact O-N 2.96Å
176C95.8Very high87.4Confident1 Ų163.5 Ų63.51%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-101.6151.1164.3-71.20000109.9M53 Y146 V148 N162 L174M53-C176 HydrophobicContact CE-CB 4.36Å; Y146-C176 PolarHBondContact N-O 3.37Å; Y146-C176 PolarHBondContact O-N 3.21Å; Y146-C176 VanDerWaalsContact O-O 3.13Å; V148-C176 HydrophobicContact CG2-CB 4.49Å; N162-C176 PolarHBondContact OD1-SG 3.32Å; L174-C176 PolarHBondContact O-N 3.45Å
177V97.1Very high87.8Confident0 Ų065 Ų650%032%0.317CS..EExtended strand (participates in β ladder)trans-120.8122.5167.1177.10000106.6Y54 F76 V84 Y143 Q144 E145Y54-V177 PolarHBondContact N-O 3.05Å; F76-V177 HydrophobicContact CD1-CG1 4.45Å; F76-V177 HydrophobicContact CD1-CG2 3.96Å; F76-V177 HydrophobicContact CE1-CG1 4.02Å; F76-V177 HydrophobicContact CE1-CG2 3.8Å; F76-V177 HydrophobicContact CE2-CG1 4.31Å; F76-V177 HydrophobicContact CZ-CG1 3.94Å; V84-V177 HydrophobicContact CG2-CG2 4.23Å; Y143-V177 HydrophobicContact CD1-CG1 3.85Å; Y143-V177 HydrophobicContact CG-CG1 4.46Å; Q144-V177 WeakPolarHBondContact O-CA 3.16Å; E145-V177 HydrophobicContact CG-CG2 4.48Å
178V97.3Very high88.8Confident19 Ų1963.1 Ų63.112%0.11532%0.324CS..EExtended strand (participates in β ladder)trans-112.4155.4179.5-57.50000110T50 A52 M53 Y143 Q144 V180T50-V178 HydrophobicContact CG2-CB 3.96Å; T50-V178 HydrophobicContact CG2-CG1 4.33Å; T50-V178 HydrophobicContact CG2-CG2 4.48Å; A52-V178 CarbonylContact O-C 3.44Å; A52-V178 WeakPolarHBondContact O-CA 3.43Å; M53-V178 HydrophobicContact CE-CG1 4.49Å; M53-V178 HydrophobicContact CG-CG1 4.24Å; Y143-V178 CarbonylContact C-O 3.49Å; Y143-V178 WeakPolarHBondContact CA-O 2.97Å; Q144-V178 HydrophobicContact CB-CG2 3.87Å; Q144-V178 PolarHBondContact N-O 3.43Å; Q144-V178 PolarHBondContact O-N 3.01Å; V178-V180 HydrophobicContact CG2-CG2 4.06Å
179L97.7Very high90.2Very high0 Ų057.4 Ų57.40%030%0.298CS..EExtended strand (participates in β ladder)trans-104.7127172.3-66.497.8000109.2T50 V51 A52 I130 V141 C142 Y143T50-L179 WeakPolarHBondContact CA-O 3.44Å; V51-L179 HydrophobicContact CG2-CB 3.97Å; V51-L179 VanDerWaalsContact CG2-O 3.28Å; V51-L179 WeakPolarHBondContact CG2-O 3.49Å; V51-L179 PolarHBondContact N-O 2.79Å; A52-L179 HydrophobicContact CB-CB 4.29Å; A52-L179 HydrophobicContact CB-CD1 3.99Å; A52-L179 PolarHBondContact O-N 2.82Å; I130-L179 HydrophobicContact CB-CD2 4.09Å; I130-L179 HydrophobicContact CD1-CB 4.38Å; I130-L179 HydrophobicContact CD1-CD1 4.15Å; I130-L179 HydrophobicContact CD1-CD2 3.58Å; I130-L179 HydrophobicContact CD1-CG 4.24Å; I130-L179 HydrophobicContact CG1-CD2 4.39Å; I130-L179 HydrophobicContact CG2-CD2 3.92Å; V141-L179 HydrophobicContact CB-CB 4.41Å; V141-L179 HydrophobicContact CG2-CB 4.48Å; V141-L179 HydrophobicContact CG2-CD2 3.8Å; C142-L179 CarbonylContact O-C 3.55Å; C142-L179 VanDerWaalsContact O-CA 3.28Å; C142-L179 WeakPolarHBondContact O-CA 3.49Å; Y143-L179 HydrophobicContact CD1-CD1 4.32Å; Y143-L179 HydrophobicContact CD1-CD2 4.01Å; Y143-L179 HydrophobicContact CD1-CG 3.89Å; Y143-L179 HydrophobicContact CE1-CD1 4.16Å; Y143-L179 HydrophobicContact CE1-CD2 3.64Å; Y143-L179 HydrophobicContact CE1-CG 3.92Å
180V98.1Very high92Very high26 Ų2656.6 Ų56.616%0.15829%0.292CS..EExtended strand (participates in β ladder)trans-115.2135.7-175.8-177.80000109.4G48 A49 V141 C142 Q144 V178G48-V180 WeakPolarHBondContact O-CG1 3.06Å; A49-V180 CarbonylContact O-C 3.57Å; A49-V180 WeakPolarHBondContact O-CA 3.48Å; V141-V180 CarbonylContact C-O 3.51Å; V141-V180 WeakPolarHBondContact CA-O 3.41Å; C142-V180 PolarHBondContact N-O 3.49Å; C142-V180 PolarHBondContact O-N 2.83Å; Q144-V180 HydrophobicContact CB-CG2 3.96Å; V178-V180 HydrophobicContact CG2-CG2 4.06Å
181S98.3Very high94Very high4 Ų451 Ų513%0.02826%0.257CS..EExtended strand (participates in β ladder)trans-68.2129.8179.4600000112.3P46 K47 G48 A49 R183P46-S181 PolarHBondContact O-OG 3.13Å; K47-S181 WeakPolarHBondContact CA-OG 3.49Å; G48-S181 PolarHBondContact N-O 2.9Å; G48-S181 PolarHBondContact N-OG 2.86Å; A49-S181 PolarHBondContact N-OG 3.36Å; A49-S181 PolarHBondContact O-N 3.19Å; A49-S181 PolarHBondContact O-OG 3.37Å; S181-R183 WeakPolarHBondContact CB-O 3.34Å
182L97.4Very high95.7Very high77 Ų7742.3 Ų42.340%0.40322%0.217SC..SBendtrans-82.6-21.6177.8-68.5174.5000112.8K47 A139 N140 C142K47-L182 WeakPolarHBondContact CD-O 3.35Å; K47-L182 WeakPolarHBondContact CE-O 3.38Å; K47-L182 WeakPolarHBondContact CG-O 3.21Å; A139-L182 HydrophobicContact CB-CD1 4.36Å; N140-L182 PolarHBondContact O-N 3.08Å; C142-L182 HydrophobicContact CB-CD1 4.32Å; C142-L182 HydrophobicContact CB-CD2 3.86Å; C142-L182 HydrophobicContact CB-CG 4.18Å; C142-L182 VanDerWaalsContact SG-CD2 3.57Å
183R97.9Very high96.7Very high95 Ų9536 Ų3636%0.35819%0.193SC..SBendtrans-149.4174.7178.360.5165.2176.989.6-6.1109.2N140 S181 I185 E189N140-R183 HydrophobicContact CB-CG 4.39Å; S181-R183 WeakPolarHBondContact CB-O 3.34Å; R183-I185 WeakPolarHBondContact O-CG1 3.48Å; R183-E189 IonicContact CZ-OE2 3.27Å; R183-E189 VanDerWaalsContact CZ-OE2 3.27Å; R183-E189 IonicContact NH1-OE1 3.38Å; R183-E189 PolarHBondContact NH1-OE1 3.32Å; R183-E189 IonicContact NH1-OE2 2.88Å; R183-E189 PolarHBondContact NH1-OE2 2.75Å; R183-E189 IonicContact NH2-OE2 2.71Å; R183-E189 PolarHBondContact NH2-OE2 3.44Å
184D98.4Very high96.9Very high84 Ų8436.3 Ų36.345%0.44919%0.192SC..  trans-62.5136.2168.6-65.1-14.1000110.9F44 V45 P46 K47F44-D184 HydrophobicContact CE2-CB 3.69Å; F44-D184 HydrophobicContact CZ-CB 3.49Å; F44-D184 VanDerWaalsContact CZ-CB 3.49Å; F44-D184 VanDerWaalsContact CZ-CG 3.41Å; V45-D184 CarbonylContact O-C 3.22Å; V45-D184 VanDerWaalsContact O-CA 3.31Å; V45-D184 WeakPolarHBondContact O-CA 3.4Å; P46-D184 WeakPolarHBondContact CA-OD1 3.49Å; K47-D184 PolarHBondContact N-OD1 2.69Å
185I98.5Very high96.3Very high0 Ų040.5 Ų40.50%021%0.207CC..EExtended strand (participates in β ladder)trans-127.2130-178.6-43.6177.7000109.3V40 V45 N140 V141 R183 E189 L191V40-I185 HydrophobicContact CG2-CB 4.47Å; V40-I185 HydrophobicContact CG2-CG2 3.8Å; V45-I185 HydrophobicContact CB-CB 4Å; V45-I185 HydrophobicContact CB-CG1 4.43Å; V45-I185 HydrophobicContact CG2-CB 4.42Å; V45-I185 PolarHBondContact N-O 2.83Å; V45-I185 PolarHBondContact O-N 3.39Å; N140-I185 HydrophobicContact CB-CD1 4.12Å; N140-I185 HydrophobicContact CB-CG1 4.47Å; V141-I185 HydrophobicContact CG1-CD1 3.93Å; R183-I185 WeakPolarHBondContact O-CG1 3.48Å; I185-E189 HydrophobicContact CG2-CB 3.65Å; I185-E189 HydrophobicContact CG2-CG 4.3Å; I185-L191 HydrophobicContact CD1-CD2 3.62Å; I185-L191 HydrophobicContact CG2-CD2 4.22Å
186R97.8Very high94.9Very high179 Ų17949 Ų4968%0.67524%0.24SC*.EExtended strand (participates in β ladder)trans-99.6158.1-178.1-62.2-179.3176178.7-1111.3F44 G188 E189F44-R186 HydrophobicContact CD2-CG 4.34Å; R186-G188 PolarHBondContact O-N 3.46Å; R186-E189 PolarHBondContact N-OE1 3.21Å; R186-E189 WeakPolarHBondContact O-CB 3.38Å; R186-E189 WeakPolarHBondContact O-CG 3.34Å; R186-E189 PolarHBondContact O-N 2.93Å
187A97.7Very high93.1Very high52 Ų5252.1 Ų52.143%0.4326%0.259SS..THydrogen-bonded Turntrans-53.5137.4168.600000111.7V40 G43V40-A187 CarbonylContact O-C 3.6Å; V40-A187 WeakPolarHBondContact O-CA 3.44Å; G43-A187 PolarHBondContact O-N 3.24Å
188G97.3Very high91.2Very high58 Ų5855 Ų5560%0.59827%0.274SS*.THydrogen-bonded Turntrans95.5-16.7-174.100000114.3V40 R186V40-G188 PolarHBondContact O-N 2.89Å; R186-G188 PolarHBondContact O-N 3.46Å
189E98Very high88.9Confident53 Ų5360 Ų6025%0.24831%0.305CS..PPolyproline II helixtrans-79.6139.5179-63.9-171.3-106.500112.2F39 V40 R183 I185 R186F39-E189 WeakPolarHBondContact CA-O 3.19Å; V40-E189 PolarHBondContact N-O 3.22Å; R183-E189 IonicContact CZ-OE2 3.27Å; R183-E189 VanDerWaalsContact CZ-OE2 3.27Å; R183-E189 IonicContact NH1-OE1 3.38Å; R183-E189 PolarHBondContact NH1-OE1 3.32Å; R183-E189 IonicContact NH1-OE2 2.88Å; R183-E189 PolarHBondContact NH1-OE2 2.75Å; R183-E189 IonicContact NH2-OE2 2.71Å; R183-E189 PolarHBondContact NH2-OE2 3.44Å; I185-E189 HydrophobicContact CG2-CB 3.65Å; I185-E189 HydrophobicContact CG2-CG 4.3Å; R186-E189 PolarHBondContact N-OE1 3.21Å; R186-E189 WeakPolarHBondContact O-CB 3.38Å; R186-E189 WeakPolarHBondContact O-CG 3.34Å; R186-E189 PolarHBondContact O-N 2.93Å
190E98.3Very high88.5Confident10 Ų1063.1 Ų63.15%0.04732%0.32CS..BIsolated β-bridgetrans-82.2143.6168.9-168.5171.9178.600110.1S29 S30 G37 V38 F39 N140 F192S29-E190 WeakPolarHBondContact CA-OE1 3.44Å; S29-E190 VanDerWaalsContact CB-OE1 3.25Å; S29-E190 WeakPolarHBondContact CB-OE1 2.85Å; S29-E190 PolarHBondContact OG-OE1 3.24Å; S29-E190 PolarHBondContact OG-OE2 2.88Å; S30-E190 WeakPolarHBondContact CB-OE2 3.37Å; S30-E190 PolarHBondContact N-OE2 3.23Å; S30-E190 PolarHBondContact OG-OE2 2.87Å; G37-E190 WeakPolarHBondContact CA-OE1 3.37Å; V38-E190 WeakPolarHBondContact O-CA 3.37Å; F39-E190 HydrophobicContact CD1-CB 3.78Å; F39-E190 HydrophobicContact CD1-CG 4.32Å; F39-E190 HydrophobicContact CD2-CB 4.48Å; F39-E190 HydrophobicContact CD2-CG 4.14Å; F39-E190 HydrophobicContact CE1-CB 3.5Å; F39-E190 VanDerWaalsContact CE1-CB 3.5Å; F39-E190 HydrophobicContact CE1-CG 3.96Å; F39-E190 HydrophobicContact CE2-CB 4.22Å; F39-E190 HydrophobicContact CE2-CG 3.74Å; F39-E190 HydrophobicContact CG-CB 4.28Å; F39-E190 HydrophobicContact CG-CG 4.41Å; F39-E190 HydrophobicContact CZ-CB 3.74Å; F39-E190 VanDerWaalsContact CZ-CD 3.45Å; F39-E190 HydrophobicContact CZ-CG 3.65Å; F39-E190 VanDerWaalsContact CZ-OE2 3.3Å; F39-E190 WeakPolarHBondContact CZ-OE2 3.22Å; N140-E190 PolarHBondContact ND2-O 3.09Å; E190-F192 HydrophobicContact CB-CD2 4.42Å; E190-F192 HydrophobicContact CB-CE2 3.64Å; E190-F192 HydrophobicContact CB-CZ 3.8Å; E190-F192 HydrophobicContact CG-CE1 4.07Å; E190-F192 HydrophobicContact CG-CE2 3.94Å; E190-F192 HydrophobicContact CG-CZ 3.65Å; E190-F192 VanDerWaalsContact OE2-CZ 3.24Å; E190-F192 WeakPolarHBondContact OE2-CZ 3.17Å
191L98.2Very high87.9Confident0 Ų065 Ų650%033%0.328CS..PPolyproline II helixtrans-85.4130.8175-56.5-177000110I24 V38 V40 V51 I130 N140 V141 I185I24-L191 HydrophobicContact CG2-CD1 4.38Å; V38-L191 HydrophobicContact CB-CD1 4.35Å; V38-L191 HydrophobicContact CG1-CD1 3.89Å; V38-L191 PolarHBondContact O-N 3.02Å; V40-L191 HydrophobicContact CG2-CD2 3.91Å; V51-L191 HydrophobicContact CB-CD1 4.3Å; V51-L191 HydrophobicContact CG2-CD1 4.09Å; I130-L191 HydrophobicContact CD1-CB 4.12Å; I130-L191 HydrophobicContact CD1-CD1 3.87Å; I130-L191 HydrophobicContact CG1-CB 4.14Å; I130-L191 HydrophobicContact CG2-CB 4.16Å; N140-L191 WeakPolarHBondContact OD1-CA 3.35Å; V141-L191 HydrophobicContact CG1-CB 4.47Å; V141-L191 HydrophobicContact CG1-CD2 4Å; V141-L191 HydrophobicContact CG2-CB 4.47Å; I185-L191 HydrophobicContact CD1-CD2 3.62Å; I185-L191 HydrophobicContact CG2-CD2 4.22Å
192F97.8Very high87.4Confident7 Ų768.4 Ų68.43%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-130.9133.7176.1-63.2-72.6000110.2L31 N131 C133 R137 A139 N140 V141 E190L31-F192 HydrophobicContact CD1-CD1 4.09Å; L31-F192 HydrophobicContact CD1-CE1 3.46Å; L31-F192 VanDerWaalsContact CD1-CE1 3.46Å; L31-F192 HydrophobicContact CD1-CZ 4.27Å; L31-F192 HydrophobicContact CG-CE1 3.76Å; L31-F192 HydrophobicContact CG-CZ 4.1Å; N131-F192 HydrophobicContact CB-CD1 4.09Å; N131-F192 HydrophobicContact CB-CE1 4.17Å; N131-F192 WeakPolarHBondContact O-CA 3.26Å; C133-F192 HydrophobicContact CB-CB 4.33Å; R137-F192 HydrophobicContact CB-CD2 3.98Å; R137-F192 HydrophobicContact CB-CE1 4.36Å; R137-F192 HydrophobicContact CB-CE2 3.76Å; R137-F192 HydrophobicContact CB-CG 4.34Å; R137-F192 HydrophobicContact CB-CZ 3.96Å; R137-F192 HydrophobicContact CG-CE2 4Å; R137-F192 HydrophobicContact CG-CZ 3.96Å; A139-F192 CarbonylContact C-O 3.46Å; A139-F192 VanDerWaalsContact CA-O 3.24Å; A139-F192 WeakPolarHBondContact CA-O 3.43Å; N140-F192 PolarHBondContact N-O 2.92Å; N140-F192 PolarHBondContact OD1-N 3.47Å; N140-F192 PolarHBondContact OD1-O 3.46Å; V141-F192 VanDerWaalsContact CG2-O 3.29Å; V141-F192 WeakPolarHBondContact CG2-O 3.42Å; V141-F192 PolarHBondContact N-O 3.31Å; V141-F192 VanDerWaalsContact N-O 3.12Å; E190-F192 HydrophobicContact CB-CD2 4.42Å; E190-F192 HydrophobicContact CB-CE2 3.64Å; E190-F192 HydrophobicContact CB-CZ 3.8Å; E190-F192 HydrophobicContact CG-CE1 4.07Å; E190-F192 HydrophobicContact CG-CE2 3.94Å; E190-F192 HydrophobicContact CG-CZ 3.65Å; E190-F192 VanDerWaalsContact OE2-CZ 3.24Å; E190-F192 WeakPolarHBondContact OE2-CZ 3.17Å
193S94.9Very high86.8Confident0 Ų067.9 Ų67.90%034%0.342CS..EExtended strand (participates in β ladder)trans-108.9166.6175.467.50000111N131 N132 C133 V141 Y143 Y195N131-S193 PolarHBondContact O-N 3.19Å; N132-S193 CarbonylContact C-O 3.56Å; N132-S193 WeakPolarHBondContact CA-O 3.38Å; N132-S193 PolarHBondContact OD1-O 3.05Å; C133-S193 PolarHBondContact N-O 3.28Å; V141-S193 WeakPolarHBondContact O-CA 3.42Å; Y143-S193 WeakPolarHBondContact CE2-OG 3.39Å; Y143-S193 PolarHBondContact OH-OG 3.04Å; S193-Y195 WeakPolarHBondContact OG-CD1 3.45Å; S193-Y195 WeakPolarHBondContact OG-CE1 3.49Å
194N90.4Very high86.1Confident49 Ų4966.2 Ų66.226%0.26234%0.34SS..  trans-102115.3165.1-173.9-11.1000109A139 Y196 T197A139-N194 HydrophobicContact CB-CB 4.34Å; N194-Y196 PolarHBondContact O-N 3.44Å; N194-Y196 VanDerWaalsContact O-N 3.09Å; N194-Y196 WeakPolarHBondContact OD1-CB 3.44Å; N194-Y196 WeakPolarHBondContact OD1-CD2 3.5Å; N194-Y196 PolarHBondContact OD1-N 3.18Å; N194-T197 PolarHBondContact ND2-OG1 2.77Å; N194-T197 PolarHBondContact O-N 3.42Å
195Y79.8Confident85.3Confident118 Ų11865 Ų6546%0.46333%0.333SS..THydrogen-bonded Turntrans-66-11.5-178.8-69.64.9000113.4I130 N131 N132 Y143 S193I130-Y195 PolarHBondContact O-OH 2.76Å; N131-Y195 WeakPolarHBondContact CA-OH 3.42Å; N132-Y195 HydrophobicContact CB-CD1 3.8Å; N132-Y195 HydrophobicContact CB-CD2 3.8Å; N132-Y195 HydrophobicContact CB-CE1 3.71Å; N132-Y195 HydrophobicContact CB-CE2 3.72Å; N132-Y195 HydrophobicContact CB-CG 3.85Å; N132-Y195 VanDerWaalsContact N-CE1 3.34Å; N132-Y195 VanDerWaalsContact N-CZ 3.33Å; N132-Y195 PolarHBondContact N-OH 2.94Å; N132-Y195 WeakPolarHBondContact OD1-CD1 3.4Å; N132-Y195 PolarHBondContact OD1-N 3.36Å; Y143-Y195 HydrophobicContact CE2-CD1 4.42Å; S193-Y195 WeakPolarHBondContact OG-CD1 3.45Å; S193-Y195 WeakPolarHBondContact OG-CE1 3.49Å
196Y66.7Low84.3Confident198 Ų19869.6 Ų69.678%0.77636%0.357SS*.THydrogen-bonded Turntrans-105-3-175.4-55.4-73.2000114.1N194N194-Y196 PolarHBondContact O-N 3.44Å; N194-Y196 VanDerWaalsContact O-N 3.09Å; N194-Y196 WeakPolarHBondContact OD1-CB 3.44Å; N194-Y196 WeakPolarHBondContact OD1-CD2 3.5Å; N194-Y196 PolarHBondContact OD1-N 3.18Å
197T57.1Low83.3Confident66 Ų6661.2 Ų61.241%0.40533%0.333SS..  trans-127.4110.7-175.3-370000110.7N194 V199N194-T197 PolarHBondContact ND2-OG1 2.77Å; N194-T197 PolarHBondContact O-N 3.42Å; T197-V199 HydrophobicContact CG2-CG2 4.36Å
198I58.7Low82.1Confident61 Ų6162 Ų6231%0.31332%0.324SS..BIsolated β-bridgetrans-95.8133.7163.9-52.8175.4000106F76 R77 E145F76-I198 HydrophobicContact CZ-CD1 4.13Å; F76-I198 HydrophobicContact CZ-CG1 4.25Å; R77-I198 WeakPolarHBondContact O-CD1 3.42Å; E145-I198 HydrophobicContact CG-CG2 4.43Å
199V47.8Very low80.7Confident124 Ų12462.4 Ų62.475%0.75230%0.3SS*.  trans-109.40-179.5-173.90000110.3C142 Q144 T197C142-V199 HydrophobicContact CB-CG2 4.33Å; Q144-V199 PolarHBondContact NE2-O 3.15Å; T197-V199 HydrophobicContact CG2-CG2 4.36Å

Retrieved 199 of 199 residues in 37.5 ms (Link to these results)

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