Z4YLM0_MOUSE Loading...

Tubulin--tyrosine ligase-like protein 9

AlphaFold DB , UniProt , Accession Z4YLM0, Species MOUSE (Mus musculus, Mouse), Gene Ttll9, Length 139 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
1M39.6Very low45.8Very low242 Ų242154 Ų154100%1.19283%0.827SS**  099.90-68179.2-157.900107.6
2T38.2Very low47.2Very low142 Ų142152 Ų15287%0.87180%0.799SS**  trans-131.792.9170.646.20000105.5D4T2-D4 PolarHBondContact O-N 3.5Å
3C40.4Very low49.5Very low128 Ų128150.3 Ų150.387%0.86580%0.799SS**  trans-75.5112.1170.3-750000107.4
4D40.7Very low52.4Low131 Ų131146.4 Ų146.470%0.70178%0.777SS**  trans-52.8119160.4-177.52.2000109.3T2 R6T2-D4 PolarHBondContact O-N 3.5Å; D4-R6 VanDerWaalsContact C-N 3.28Å; D4-R6 PolarHBondContact O-N 2.94Å
5P47.8Very low55.2Low112 Ų112140.4 Ų140.473%0.72775%0.745SS**  trans-7790.1174.131.8-27.1000106.4G7P5-G7 PolarHBondContact O-N 3.36Å
6R47.2Very low57.7Low230 Ų230135.4 Ų135.487%0.86871%0.713SS**  trans-41.7108.7163.3-79.1178.4-82.3-168.6-5.7107.6D4 S8D4-R6 VanDerWaalsContact C-N 3.28Å; D4-R6 PolarHBondContact O-N 2.94Å; R6-S8 PolarHBondContact O-N 3.49Å
7G44.3Very low60Low64 Ų64127.5 Ų127.566%0.6667%0.671SS**  trans-47.3129.7-173.400000110.1P5 K9P5-G7 PolarHBondContact O-N 3.36Å; G7-K9 PolarHBondContact O-N 2.74Å
8S43.4Very low61.8Low109 Ų109124.4 Ų124.476%0.76265%0.651SS**  trans-53.1107163.850.80000106.6R6 E10R6-S8 PolarHBondContact O-N 3.49Å; S8-E10 PolarHBondContact O-N 3.3Å
9K52.8Low63.4Low175 Ų175119.1 Ų119.176%0.76162%0.624SS**  trans-60.996.3166.1-79.8-173.1172.8-1710105G7 Q11 E65G7-K9 PolarHBondContact O-N 2.74Å; K9-Q11 PolarHBondContact O-N 3.33Å; K9-E65 IonicContact NZ-OE1 2.73Å; K9-E65 PolarHBondContact NZ-OE1 2.7Å
10E53.3Low64.6Low181 Ų181117.1 Ų117.185%0.84662%0.617SS**  trans-50.4113.5166.4-92.3-174.8153.600105.7S8 R12S8-E10 PolarHBondContact O-N 3.3Å; E10-R12 VanDerWaalsContact C-N 3.31Å; E10-R12 PolarHBondContact O-N 3.46Å
11Q56.4Low65.6Low180 Ų180114 Ų11484%0.84160%0.601SS**  trans-70.399.5179-159.1160.726.600105.3K9 T13K9-Q11 PolarHBondContact O-N 3.33Å; Q11-T13 PolarHBondContact O-N 2.8Å
12R62.6Low67.9Low130 Ų130111.3 Ų111.349%0.49159%0.588SS.*  trans-47.3112.4179.6-121.5-178.4-177.6159.94.4107.5E10 L14 E43 D45 H66E10-R12 VanDerWaalsContact C-N 3.31Å; E10-R12 PolarHBondContact O-N 3.46Å; R12-L14 PolarHBondContact O-N 2.99Å; R12-E43 IonicContact NH2-OE2 3.57Å; R12-D45 WeakPolarHBondContact CD-OD1 3.4Å; R12-D45 IonicContact CZ-OD1 3.04Å; R12-D45 IonicContact NE-OD1 2.63Å; R12-D45 IonicContact NH1-OD1 2.63Å; R12-D45 PolarHBondContact NH1-OD1 3.35Å; R12-H66 PolarHBondContact NH1-CD2 3.19Å; R12-H66 VanDerWaalsContact NH1-CD2 3.32Å; R12-H66 PolarHBondContact NH1-NE2 2.89Å; R12-H66 VanDerWaalsContact NH1-NE2 3.13Å
13T76.3Confident70.4Confident130 Ų130108.1 Ų108.180%0.79857%0.565SS**SBendtrans-71.7-16.7-174.443.60000112Q11Q11-T13 PolarHBondContact O-N 2.8Å
14L91.3Very high73Confident96 Ų96107 Ų10750%0.50355%0.554SS.*SBendtrans-124.2134.9178.9-62.7172.3000110.1R12 G34 V36R12-L14 PolarHBondContact O-N 2.99Å; L14-G34 CarbonylContact C-O 3.55Å; L14-G34 WeakPolarHBondContact CA-O 3.4Å; L14-V36 HydrophobicContact CD2-CG2 4.44Å
15I94.2Very high75.5Confident56 Ų56103 Ų10329%0.28753%0.533SS..EExtended strand (participates in β ladder)trans-106.4116.5174.4-66.7175.1000108G34 W35 V36 D45 F46I15-G34 PolarHBondContact N-O 3.3Å; I15-W35 HydrophobicContact CB-CD2 4.07Å; I15-W35 HydrophobicContact CB-CG 4.21Å; I15-W35 HydrophobicContact CB-CZ2 4.36Å; I15-W35 HydrophobicContact CD1-CZ2 3.62Å; I15-W35 HydrophobicContact CG2-CD2 3.83Å; I15-W35 HydrophobicContact CG2-CE3 3.96Å; I15-W35 HydrophobicContact CG2-CG 4.45Å; I15-W35 HydrophobicContact CG2-CH2 3.98Å; I15-W35 HydrophobicContact CG2-CZ2 3.84Å; I15-W35 HydrophobicContact CG2-CZ3 4.04Å; I15-W35 CarbonylContact O-C 3.57Å; I15-W35 VanDerWaalsContact O-CA 3.31Å; I15-W35 WeakPolarHBondContact O-CA 3.41Å; I15-V36 PolarHBondContact O-N 3.43Å; I15-D45 HydrophobicContact CG2-CB 4.18Å; I15-F46 HydrophobicContact CG2-CB 4.2Å
16R95.3Very high77.7Confident61 Ų6198.1 Ų98.123%0.2350%0.501CS..EExtended strand (participates in β ladder)trans-85.4116.7174.3-62.2170.1-65.3175.914.6108.6V36 V38 E43 D45 F46R16-V36 CarbonylContact C-O 3.53Å; R16-V36 VanDerWaalsContact CA-O 3.32Å; R16-V36 WeakPolarHBondContact CA-O 3.47Å; R16-V38 HydrophobicContact CB-CG2 3.6Å; R16-V38 HydrophobicContact CG-CG2 4.46Å; R16-E43 IonicContact CZ-OE2 2.82Å; R16-E43 IonicContact NH1-OE2 3.8Å; R16-E43 PolarHBondContact NH1-OE2 2.97Å; R16-E43 IonicContact NH2-OE2 3.82Å; R16-E43 PolarHBondContact NH2-OE2 3.08Å; R16-D45 WeakPolarHBondContact CB-OD2 3.16Å; R16-D45 WeakPolarHBondContact CG-OD2 3.49Å; R16-D45 IonicContact CZ-OD2 2.67Å; R16-D45 PolarHBondContact N-OD2 3.18Å; R16-D45 IonicContact NE-OD2 3.48Å; R16-D45 PolarHBondContact NE-OD2 3.4Å; R16-D45 IonicContact NH2-OD1 3.46Å; R16-D45 IonicContact NH2-OD2 3.81Å; R16-D45 PolarHBondContact O-N 2.73Å; R16-F46 PolarHBondContact O-N 3.46Å; R16-F46 VanDerWaalsContact O-N 3.08Å
17F95.4Very high79.9Confident0 Ų091 Ų910%048%0.479CS..EExtended strand (participates in β ladder)trans-109.7148.4-179.279.8-92.7000112.7T19 M26 L29 R30 W35 V36 E37 V38 F46F17-T19 HydrophobicContact CE2-CG2 4.34Å; F17-M26 HydrophobicContact CE2-CE 4.2Å; F17-M26 HydrophobicContact CE2-SD 3.97Å; F17-M26 HydrophobicContact CZ-CE 4.47Å; F17-M26 HydrophobicContact CZ-SD 4.5Å; F17-L29 HydrophobicContact CD1-CB 4.22Å; F17-L29 HydrophobicContact CD2-CB 3.8Å; F17-L29 HydrophobicContact CD2-CD1 3.64Å; F17-L29 HydrophobicContact CD2-CG 4.29Å; F17-L29 HydrophobicContact CE1-CB 3.95Å; F17-L29 HydrophobicContact CE2-CB 3.53Å; F17-L29 HydrophobicContact CE2-CD1 3.92Å; F17-L29 HydrophobicContact CE2-CG 4.37Å; F17-L29 HydrophobicContact CG-CB 4.14Å; F17-L29 HydrophobicContact CG-CD1 4.35Å; F17-L29 HydrophobicContact CZ-CB 3.6Å; F17-R30 HydrophobicContact CZ-CG 3.91Å; F17-W35 HydrophobicContact CB-CE3 3.8Å; F17-W35 HydrophobicContact CB-CZ3 4.06Å; F17-W35 HydrophobicContact CD1-CB 3.99Å; F17-W35 HydrophobicContact CD1-CE3 4.03Å; F17-W35 HydrophobicContact CE1-CB 4.31Å; F17-W35 HydrophobicContact CG-CE3 4.13Å; F17-V36 VanDerWaalsContact CD1-C 3.48Å; F17-V36 WeakPolarHBondContact CD1-O 3.25Å; F17-V36 PolarHBondContact N-O 3.16Å; F17-E37 HydrophobicContact CE1-CB 3.88Å; F17-E37 VanDerWaalsContact CE1-N 3.32Å; F17-E37 HydrophobicContact CE2-CB 4.09Å; F17-E37 HydrophobicContact CE2-CG 4.16Å; F17-E37 HydrophobicContact CZ-CB 3.57Å; F17-E37 HydrophobicContact CZ-CG 4.1Å; F17-V38 PolarHBondContact O-N 3Å; F17-F46 CarbonylContact C-O 3.48Å; F17-F46 WeakPolarHBondContact CA-O 3.2Å; F17-F46 HydrophobicContact CB-CB 4.48Å; F17-F46 HydrophobicContact CB-CD1 4.22Å
18K94Very high82.4Confident72 Ų7292.2 Ų92.231%0.31347%0.474SS..EExtended strand (participates in β ladder)trans-120.3145.8170.6-173.3174.6-179.31700109.2W44 F46 Y47 W48K18-W44 HydrophobicContact CB-CB 4.46Å; K18-F46 PolarHBondContact N-O 3.07Å; K18-Y47 HydrophobicContact CB-CD2 3.79Å; K18-Y47 HydrophobicContact CB-CE2 4.32Å; K18-Y47 HydrophobicContact CB-CG 4.13Å; K18-Y47 HydrophobicContact CD-CD1 4.35Å; K18-Y47 HydrophobicContact CD-CD2 4.25Å; K18-Y47 HydrophobicContact CD-CE1 4.26Å; K18-Y47 HydrophobicContact CD-CE2 4.19Å; K18-Y47 HydrophobicContact CD-CG 4.36Å; K18-Y47 HydrophobicContact CG-CD2 3.82Å; K18-Y47 HydrophobicContact CG-CE2 3.83Å; K18-Y47 HydrophobicContact CG-CG 4.33Å; K18-Y47 WeakPolarHBondContact O-CA 3.4Å; K18-Y47 VanDerWaalsContact O-CD2 3.27Å; K18-Y47 WeakPolarHBondContact O-CD2 3.27Å; K18-W48 PolarHBondContact O-N 3.03Å
19T92.1Very high84.9Confident24 Ų2487.5 Ų87.515%0.14744%0.44CS..EExtended strand (participates in β ladder)trans-158.2150164.4-170.40000110.2F17 L21 M26 L29 W48F17-T19 HydrophobicContact CE2-CG2 4.34Å; T19-L21 PolarHBondContact OG1-N 3.28Å; T19-M26 HydrophobicContact CG2-CE 4.41Å; T19-M26 HydrophobicContact CG2-SD 3.29Å; T19-M26 WeakPolarHBondContact CG2-SD 3.31Å; T19-L29 HydrophobicContact CG2-CD1 4.25Å; T19-W48 WeakPolarHBondContact CA-O 3.49Å; T19-W48 WeakPolarHBondContact CB-O 3.39Å; T19-W48 PolarHBondContact OG1-O 3.25Å
20T85.9Confident86.8Confident78 Ų7885.1 Ų85.148%0.47943%0.426SS..SBendtrans-94.3-5.5172.850.30000112.3Y47T20-Y47 WeakPolarHBondContact CG2-OH 3.36Å
21L86.3Confident88.9Confident54 Ų5483.7 Ų83.728%0.28342%0.419SS..  trans-92120.7-174.7-57.9178.1000110.4T19 N23 L25T19-L21 PolarHBondContact OG1-N 3.28Å; L21-N23 PolarHBondContact O-N 3.2Å; L21-L25 HydrophobicContact CD1-CD1 3.54Å
22M87.5Confident90.7Very high185 Ų18581.5 Ų81.591%0.91140%0.404SS*.  trans-99.262.4174.9-64.1-168.5170.700111
23N91.1Very high92.2Very high74 Ų7481.2 Ų81.240%0.39642%0.418SS..SBendtrans-136.5-163-179.86614.9000110.7L21 L25 M26 D27L21-N23 PolarHBondContact O-N 3.2Å; N23-L25 PolarHBondContact O-N 2.83Å; N23-L25 VanDerWaalsContact OD1-CB 3.24Å; N23-L25 WeakPolarHBondContact OD1-CB 3.31Å; N23-L25 PolarHBondContact OD1-N 3.43Å; N23-M26 WeakPolarHBondContact O-CA 3.32Å; N23-M26 WeakPolarHBondContact O-CB 3.18Å; N23-M26 PolarHBondContact O-N 2.92Å; N23-D27 PolarHBondContact O-N 3.38Å
24T94.8Very high93.1Very high104 Ų10476.5 Ų76.564%0.63840%0.396SS*.Hα-helixtrans-51.2-29.6178.3-49.50000113.8M26 D27 V28T24-M26 VanDerWaalsContact C-N 3.29Å; T24-M26 PolarHBondContact O-N 3.34Å; T24-D27 PolarHBondContact O-N 3.11Å; T24-V28 HydrophobicContact CG2-CG2 4.25Å; T24-V28 WeakPolarHBondContact O-CB 3.37Å; T24-V28 VanDerWaalsContact O-CG2 3.24Å; T24-V28 WeakPolarHBondContact O-CG2 3.46Å; T24-V28 PolarHBondContact O-N 3.25Å
25L93.1Very high93.3Very high48 Ų4873.4 Ų73.425%0.25138%0.377SS..Hα-helixtrans-61.9-41.2174.5-69.7160.8000111.2L21 N23 D27 V28 L29 W48L21-L25 HydrophobicContact CD1-CD1 3.54Å; N23-L25 PolarHBondContact O-N 2.83Å; N23-L25 VanDerWaalsContact OD1-CB 3.24Å; N23-L25 WeakPolarHBondContact OD1-CB 3.31Å; N23-L25 PolarHBondContact OD1-N 3.43Å; L25-D27 VanDerWaalsContact C-N 3.34Å; L25-D27 PolarHBondContact O-N 2.98Å; L25-V28 PolarHBondContact O-N 3.07Å; L25-L29 WeakPolarHBondContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 3.4Å; L25-W48 HydrophobicContact CD1-CD2 4.48Å; L25-W48 HydrophobicContact CD1-CZ2 4.1Å; L25-W48 HydrophobicContact CD2-CD2 4.16Å; L25-W48 HydrophobicContact CD2-CE3 4.37Å; L25-W48 HydrophobicContact CD2-CH2 3.95Å; L25-W48 HydrophobicContact CD2-CZ2 3.66Å; L25-W48 HydrophobicContact CD2-CZ3 4.29Å
26M93.8Very high93.3Very high10 Ų1074.3 Ų74.35%0.04939%0.385CS..Hα-helixtrans-59.8-47.5176.8-166.358.8175.200111.5F17 T19 N23 T24 V28 L29 R30 E37F17-M26 HydrophobicContact CE2-CE 4.2Å; F17-M26 HydrophobicContact CE2-SD 3.97Å; F17-M26 HydrophobicContact CZ-CE 4.47Å; F17-M26 HydrophobicContact CZ-SD 4.5Å; T19-M26 HydrophobicContact CG2-CE 4.41Å; T19-M26 HydrophobicContact CG2-SD 3.29Å; T19-M26 WeakPolarHBondContact CG2-SD 3.31Å; N23-M26 WeakPolarHBondContact O-CA 3.32Å; N23-M26 WeakPolarHBondContact O-CB 3.18Å; N23-M26 PolarHBondContact O-N 2.92Å; T24-M26 VanDerWaalsContact C-N 3.29Å; T24-M26 PolarHBondContact O-N 3.34Å; M26-V28 VanDerWaalsContact C-N 3.35Å; M26-V28 PolarHBondContact O-N 3.48Å; M26-L29 PolarHBondContact O-N 2.81Å; M26-R30 VanDerWaalsContact CE-CZ 3.48Å; M26-R30 WeakPolarHBondContact O-CB 3.42Å; M26-R30 WeakPolarHBondContact O-CG 3.29Å; M26-R30 PolarHBondContact O-N 2.82Å; M26-E37 HydrophobicContact CE-CG 3.69Å; M26-E37 WeakPolarHBondContact CE-OE1 3.18Å; M26-E37 WeakPolarHBondContact CE-OE2 3.02Å
27D94.8Very high93.2Very high79 Ų7974.1 Ų74.142%0.42239%0.387SS..Hα-helixtrans-62.3-45.5179-60.4-36.1000110.5N23 T24 L25 L29 R30 H31N23-D27 PolarHBondContact O-N 3.38Å; T24-D27 PolarHBondContact O-N 3.11Å; L25-D27 VanDerWaalsContact C-N 3.34Å; L25-D27 PolarHBondContact O-N 2.98Å; D27-L29 PolarHBondContact O-N 3.13Å; D27-R30 PolarHBondContact O-N 3.07Å; D27-H31 WeakPolarHBondContact O-CB 3.47Å; D27-H31 PolarHBondContact O-N 2.67Å; D27-H31 PolarHBondContact O-ND1 3.28Å
28V95.8Very high93.1Very high90 Ų9075.5 Ų75.555%0.54540%0.395SS..Hα-helixtrans-60.6-44.2178168.10000111.6T24 L25 M26 R32T24-V28 HydrophobicContact CG2-CG2 4.25Å; T24-V28 WeakPolarHBondContact O-CB 3.37Å; T24-V28 VanDerWaalsContact O-CG2 3.24Å; T24-V28 WeakPolarHBondContact O-CG2 3.46Å; T24-V28 PolarHBondContact O-N 3.25Å; L25-V28 PolarHBondContact O-N 3.07Å; M26-V28 VanDerWaalsContact C-N 3.35Å; M26-V28 PolarHBondContact O-N 3.48Å; V28-R32 PolarHBondContact O-N 3.09Å
29L95.1Very high92.4Very high11 Ų1180.3 Ų80.36%0.05842%0.416CS..Hα-helixtrans-67.8-40.2179.7-66.9176.3000111.8F17 T19 L25 M26 D27 R32 W35 F46 W48F17-L29 HydrophobicContact CD1-CB 4.22Å; F17-L29 HydrophobicContact CD2-CB 3.8Å; F17-L29 HydrophobicContact CD2-CD1 3.64Å; F17-L29 HydrophobicContact CD2-CG 4.29Å; F17-L29 HydrophobicContact CE1-CB 3.95Å; F17-L29 HydrophobicContact CE2-CB 3.53Å; F17-L29 HydrophobicContact CE2-CD1 3.92Å; F17-L29 HydrophobicContact CE2-CG 4.37Å; F17-L29 HydrophobicContact CG-CB 4.14Å; F17-L29 HydrophobicContact CG-CD1 4.35Å; F17-L29 HydrophobicContact CZ-CB 3.6Å; T19-L29 HydrophobicContact CG2-CD1 4.25Å; L25-L29 WeakPolarHBondContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 3.4Å; M26-L29 PolarHBondContact O-N 2.81Å; D27-L29 PolarHBondContact O-N 3.13Å; L29-R32 PolarHBondContact O-N 3.2Å; L29-W35 HydrophobicContact CD2-CE3 3.73Å; L29-W35 HydrophobicContact CD2-CZ3 3.54Å; L29-W35 WeakPolarHBondContact O-CB 3.1Å; L29-F46 HydrophobicContact CD2-CE1 4.19Å; L29-W48 HydrophobicContact CD1-CB 4.2Å
30R94.6Very high91.7Very high124 Ų12485.7 Ų85.747%0.46844%0.444SS..Hα-helixtrans-66-37.1176.7-76.4-179.2172.8155.11.5113.5F17 M26 D27 R32 E37F17-R30 HydrophobicContact CZ-CG 3.91Å; M26-R30 VanDerWaalsContact CE-CZ 3.48Å; M26-R30 WeakPolarHBondContact O-CB 3.42Å; M26-R30 WeakPolarHBondContact O-CG 3.29Å; M26-R30 PolarHBondContact O-N 2.82Å; D27-R30 PolarHBondContact O-N 3.07Å; R30-R32 VanDerWaalsContact C-N 3.28Å; R30-R32 PolarHBondContact O-N 3.07Å; R30-E37 IonicContact CZ-OE2 2.86Å; R30-E37 VanDerWaalsContact CZ-OE2 3.23Å; R30-E37 IonicContact NE-OE2 2.67Å; R30-E37 PolarHBondContact NE-OE2 2.86Å; R30-E37 IonicContact NH2-OE1 2.89Å; R30-E37 PolarHBondContact NH2-OE1 2.96Å; R30-E37 IonicContact NH2-OE2 2.86Å; R30-E37 PolarHBondContact NH2-OE2 3.18Å
31H95.7Very high91.1Very high151 Ų15191.7 Ų91.770%0.69947%0.467SS*.Hα-helixtrans-83-5.3-178.3-70.691.7000113.3D27 P33D27-H31 WeakPolarHBondContact O-CB 3.47Å; D27-H31 PolarHBondContact O-N 2.67Å; D27-H31 PolarHBondContact O-ND1 3.28Å; H31-P33 WeakPolarHBondContact O-CD 3.39Å
32R94.8Very high90.6Very high135 Ų13590.8 Ų90.851%0.50947%0.471SS..SBendtrans-76.2122.1179.7-166.9168.6177.2-173.92.2110V28 L29 R30 G34 W35V28-R32 PolarHBondContact O-N 3.09Å; L29-R32 PolarHBondContact O-N 3.2Å; R30-R32 VanDerWaalsContact C-N 3.28Å; R30-R32 PolarHBondContact O-N 3.07Å; R32-G34 PolarHBondContact O-N 2.89Å; R32-W35 HydrophobicContact CB-CB 4.05Å; R32-W35 HydrophobicContact CB-CD2 4.33Å; R32-W35 HydrophobicContact CB-CG 3.79Å; R32-W35 VanDerWaalsContact CD-CE2 3.49Å; R32-W35 VanDerWaalsContact CG-CD1 3.5Å; R32-W35 HydrophobicContact CG-CD2 4.3Å; R32-W35 HydrophobicContact CG-CG 3.91Å; R32-W35 VanDerWaalsContact CZ-CZ2 3.47Å; R32-W35 WeakPolarHBondContact O-CB 3.45Å; R32-W35 PolarHBondContact O-N 2.91Å
33P94.7Very high90.7Very high123 Ų12387.6 Ų87.680%0.79945%0.453SS*.THydrogen-bonded Turntrans-57.3132.6-179.6-26.335.2000112H31 W35H31-P33 WeakPolarHBondContact O-CD 3.39Å; P33-W35 VanDerWaalsContact C-N 3.3Å
34G94.1Very high90.7Very high31 Ų3186 Ų8632%0.3244%0.442SS..THydrogen-bonded Turntrans78.86.4-17800000114.9L14 I15 R32L14-G34 CarbonylContact C-O 3.55Å; L14-G34 WeakPolarHBondContact CA-O 3.4Å; I15-G34 PolarHBondContact N-O 3.3Å; R32-G34 PolarHBondContact O-N 2.89Å
35W95.7Very high90.7Very high32 Ų3281.8 Ų81.812%0.12142%0.415CS..EExtended strand (participates in β ladder)trans-101.8129.6176.1-71.852.7000110.4I15 F17 L29 R32 P33 F46I15-W35 HydrophobicContact CB-CD2 4.07Å; I15-W35 HydrophobicContact CB-CG 4.21Å; I15-W35 HydrophobicContact CB-CZ2 4.36Å; I15-W35 HydrophobicContact CD1-CZ2 3.62Å; I15-W35 HydrophobicContact CG2-CD2 3.83Å; I15-W35 HydrophobicContact CG2-CE3 3.96Å; I15-W35 HydrophobicContact CG2-CG 4.45Å; I15-W35 HydrophobicContact CG2-CH2 3.98Å; I15-W35 HydrophobicContact CG2-CZ2 3.84Å; I15-W35 HydrophobicContact CG2-CZ3 4.04Å; I15-W35 CarbonylContact O-C 3.57Å; I15-W35 VanDerWaalsContact O-CA 3.31Å; I15-W35 WeakPolarHBondContact O-CA 3.41Å; F17-W35 HydrophobicContact CB-CE3 3.8Å; F17-W35 HydrophobicContact CB-CZ3 4.06Å; F17-W35 HydrophobicContact CD1-CB 3.99Å; F17-W35 HydrophobicContact CD1-CE3 4.03Å; F17-W35 HydrophobicContact CE1-CB 4.31Å; F17-W35 HydrophobicContact CG-CE3 4.13Å; L29-W35 HydrophobicContact CD2-CE3 3.73Å; L29-W35 HydrophobicContact CD2-CZ3 3.54Å; L29-W35 WeakPolarHBondContact O-CB 3.1Å; R32-W35 HydrophobicContact CB-CB 4.05Å; R32-W35 HydrophobicContact CB-CD2 4.33Å; R32-W35 HydrophobicContact CB-CG 3.79Å; R32-W35 VanDerWaalsContact CD-CE2 3.49Å; R32-W35 VanDerWaalsContact CG-CD1 3.5Å; R32-W35 HydrophobicContact CG-CD2 4.3Å; R32-W35 HydrophobicContact CG-CG 3.91Å; R32-W35 VanDerWaalsContact CZ-CZ2 3.47Å; R32-W35 WeakPolarHBondContact O-CB 3.45Å; R32-W35 PolarHBondContact O-N 2.91Å; P33-W35 VanDerWaalsContact C-N 3.3Å; W35-F46 HydrophobicContact CH2-CB 4.24Å; W35-F46 AromaticContact CH2-CD1 3.91Å; W35-F46 HydrophobicContact CH2-CD1 3.91Å; W35-F46 HydrophobicContact CH2-CE1 4.35Å; W35-F46 AromaticContact CH2-CG 3.97Å; W35-F46 HydrophobicContact CH2-CG 3.97Å; W35-F46 HydrophobicContact CZ3-CB 4.13Å; W35-F46 AromaticContact CZ3-CD1 3.44Å; W35-F46 HydrophobicContact CZ3-CD1 3.44Å; W35-F46 VanDerWaalsContact CZ3-CD1 3.44Å; W35-F46 AromaticContact CZ3-CE1 3.98Å; W35-F46 HydrophobicContact CZ3-CE1 3.98Å; W35-F46 AromaticContact CZ3-CG 3.9Å; W35-F46 HydrophobicContact CZ3-CG 3.9Å
36V94.5Very high90.8Very high75 Ų7581.1 Ų81.146%0.45541%0.411SS..EExtended strand (participates in β ladder)trans-126126.8-176.8-175.90000109.1L14 I15 R16 F17L14-V36 HydrophobicContact CD2-CG2 4.44Å; I15-V36 PolarHBondContact O-N 3.43Å; R16-V36 CarbonylContact C-O 3.53Å; R16-V36 VanDerWaalsContact CA-O 3.32Å; R16-V36 WeakPolarHBondContact CA-O 3.47Å; F17-V36 VanDerWaalsContact CD1-C 3.48Å; F17-V36 WeakPolarHBondContact CD1-O 3.25Å; F17-V36 PolarHBondContact N-O 3.16Å
37E94.1Very high90.8Very high57 Ų5780.9 Ų80.927%0.26641%0.409SS..EExtended strand (participates in β ladder)trans-69.2130176.8-177.3-174.3171.900110.6F17 M26 R30F17-E37 HydrophobicContact CE1-CB 3.88Å; F17-E37 VanDerWaalsContact CE1-N 3.32Å; F17-E37 HydrophobicContact CE2-CB 4.09Å; F17-E37 HydrophobicContact CE2-CG 4.16Å; F17-E37 HydrophobicContact CZ-CB 3.57Å; F17-E37 HydrophobicContact CZ-CG 4.1Å; M26-E37 HydrophobicContact CE-CG 3.69Å; M26-E37 WeakPolarHBondContact CE-OE1 3.18Å; M26-E37 WeakPolarHBondContact CE-OE2 3.02Å; R30-E37 IonicContact CZ-OE2 2.86Å; R30-E37 VanDerWaalsContact CZ-OE2 3.23Å; R30-E37 IonicContact NE-OE2 2.67Å; R30-E37 PolarHBondContact NE-OE2 2.86Å; R30-E37 IonicContact NH2-OE1 2.89Å; R30-E37 PolarHBondContact NH2-OE1 2.96Å; R30-E37 IonicContact NH2-OE2 2.86Å; R30-E37 PolarHBondContact NH2-OE2 3.18Å
38V92.9Very high90.8Very high28 Ų2881.4 Ų81.417%0.1741%0.405CS..  trans-87.1118.8170.5-1740000108.9R16 F17 D40 W44R16-V38 HydrophobicContact CB-CG2 3.6Å; R16-V38 HydrophobicContact CG-CG2 4.46Å; F17-V38 PolarHBondContact O-N 3Å; V38-D40 WeakPolarHBondContact CG1-O 3.35Å; V38-W44 HydrophobicContact CG2-CB 4.2Å
39K78.4Confident90.7Very high173 Ų17377.1 Ų77.175%0.75238%0.379SS*.  trans-90.6-22.1-178.5-65.6-175.5178.2-179.70114.2
40D77.9Confident90.5Very high137 Ų13779.3 Ų79.373%0.73339%0.391SS*.SBendtrans-120.9-169.1-173-56.9-44.7000112.5V38 G42V38-D40 WeakPolarHBondContact CG1-O 3.35Å; D40-G42 PolarHBondContact O-N 3.42Å
41E73.1Confident90.4Very high205 Ų20575.5 Ų75.596%0.95838%0.382SS*.SBendtrans-70.427.4170.9-62.1-167.8172.300113.7
42G76.5Confident90.2Very high35 Ų3571.5 Ų71.536%0.36137%0.37SS..  trans-68.9159.6177.500000112.4D40D40-G42 PolarHBondContact O-N 3.42Å
43E88.4Confident90.1Very high118 Ų11867.1 Ų67.155%0.55135%0.354SS*.  trans-55.8141.6167.9-68.5179.3-173.800111.3R12 R16R12-E43 IonicContact NH2-OE2 3.57Å; R16-E43 IonicContact CZ-OE2 2.82Å; R16-E43 IonicContact NH1-OE2 3.8Å; R16-E43 PolarHBondContact NH1-OE2 2.97Å; R16-E43 IonicContact NH2-OE2 3.82Å; R16-E43 PolarHBondContact NH2-OE2 3.08Å
44W92.6Very high89.9Confident41 Ų4161.5 Ų61.516%0.15532%0.317CS..  trans-134.3147.1-178.953-86.4000109.9K18 V38 Y47 V67 I69K18-W44 HydrophobicContact CB-CB 4.46Å; V38-W44 HydrophobicContact CG2-CB 4.2Å; W44-Y47 HydrophobicContact CH2-CD1 4.23Å; W44-Y47 HydrophobicContact CZ2-CD1 4.42Å; W44-Y47 HydrophobicContact CZ3-CD1 4.49Å; W44-Y47 HydrophobicContact CZ3-CG 4.37Å; W44-V67 HydrophobicContact CE3-CG1 3.8Å; W44-V67 HydrophobicContact CH2-CG1 3.19Å; W44-V67 HydrophobicContact CZ2-CG1 4.02Å; W44-V67 HydrophobicContact CZ3-CB 4.4Å; W44-V67 HydrophobicContact CZ3-CG1 3.06Å; W44-I69 HydrophobicContact CH2-CD1 4.09Å; W44-I69 HydrophobicContact CH2-CG1 3.87Å; W44-I69 HydrophobicContact CZ3-CG1 4.01Å
45D94.6Very high89.7Confident15 Ų1567.3 Ų67.38%0.0833%0.329CS..SBendtrans-97.2-33.8179.6-59.2-78.7000111.2R12 I15 R16 H66 V67 R68R12-D45 WeakPolarHBondContact CD-OD1 3.4Å; R12-D45 IonicContact CZ-OD1 3.04Å; R12-D45 IonicContact NE-OD1 2.63Å; R12-D45 IonicContact NH1-OD1 2.63Å; R12-D45 PolarHBondContact NH1-OD1 3.35Å; I15-D45 HydrophobicContact CG2-CB 4.18Å; R16-D45 WeakPolarHBondContact CB-OD2 3.16Å; R16-D45 WeakPolarHBondContact CG-OD2 3.49Å; R16-D45 IonicContact CZ-OD2 2.67Å; R16-D45 PolarHBondContact N-OD2 3.18Å; R16-D45 IonicContact NE-OD2 3.48Å; R16-D45 PolarHBondContact NE-OD2 3.4Å; R16-D45 IonicContact NH2-OD1 3.46Å; R16-D45 IonicContact NH2-OD2 3.81Å; R16-D45 PolarHBondContact O-N 2.73Å; D45-H66 IonicContact OD1-CD2 3.56Å; D45-H66 PolarHBondContact OD1-CD2 2.77Å; D45-H66 IonicContact OD1-NE2 2.93Å; D45-V67 WeakPolarHBondContact O-CA 3.31Å; D45-R68 PolarHBondContact O-N 3.45Å
46F95Very high89.5Confident34 Ų3472 Ų7215%0.14935%0.353CS..EExtended strand (participates in β ladder)trans-135.4132.3-179178.8-102.4000112I15 R16 F17 K18 L29 W35 W48 R68I15-F46 HydrophobicContact CG2-CB 4.2Å; R16-F46 PolarHBondContact O-N 3.46Å; R16-F46 VanDerWaalsContact O-N 3.08Å; F17-F46 CarbonylContact C-O 3.48Å; F17-F46 WeakPolarHBondContact CA-O 3.2Å; F17-F46 HydrophobicContact CB-CB 4.48Å; F17-F46 HydrophobicContact CB-CD1 4.22Å; K18-F46 PolarHBondContact N-O 3.07Å; L29-F46 HydrophobicContact CD2-CE1 4.19Å; W35-F46 HydrophobicContact CH2-CB 4.24Å; W35-F46 AromaticContact CH2-CD1 3.91Å; W35-F46 HydrophobicContact CH2-CD1 3.91Å; W35-F46 HydrophobicContact CH2-CE1 4.35Å; W35-F46 AromaticContact CH2-CG 3.97Å; W35-F46 HydrophobicContact CH2-CG 3.97Å; W35-F46 HydrophobicContact CZ3-CB 4.13Å; W35-F46 AromaticContact CZ3-CD1 3.44Å; W35-F46 HydrophobicContact CZ3-CD1 3.44Å; W35-F46 VanDerWaalsContact CZ3-CD1 3.44Å; W35-F46 AromaticContact CZ3-CE1 3.98Å; W35-F46 HydrophobicContact CZ3-CE1 3.98Å; W35-F46 AromaticContact CZ3-CG 3.9Å; W35-F46 HydrophobicContact CZ3-CG 3.9Å; F46-W48 HydrophobicContact CE1-CB 3.87Å; F46-W48 AromaticContact CE1-CE3 3.98Å; F46-W48 HydrophobicContact CE1-CE3 3.98Å; F46-W48 HydrophobicContact CZ-CB 4.34Å; F46-W48 AromaticContact CZ-CE3 3.71Å; F46-W48 HydrophobicContact CZ-CE3 3.71Å; F46-W48 HydrophobicContact CZ-CZ3 4.43Å; F46-R68 CarbonylContact C-O 3.55Å; F46-R68 VanDerWaalsContact CA-O 3.3Å; F46-R68 WeakPolarHBondContact CA-O 3.41Å; F46-R68 HydrophobicContact CD2-CB 3.87Å
47Y94.3Very high89.2Confident4 Ų470.6 Ų70.62%0.01634%0.342CS..EExtended strand (participates in β ladder)trans-122.7113.6172.3-173.2-171.2000110.7K18 T20 W44 C49 W53 R68 I69 S70K18-Y47 HydrophobicContact CB-CD2 3.79Å; K18-Y47 HydrophobicContact CB-CE2 4.32Å; K18-Y47 HydrophobicContact CB-CG 4.13Å; K18-Y47 HydrophobicContact CD-CD1 4.35Å; K18-Y47 HydrophobicContact CD-CD2 4.25Å; K18-Y47 HydrophobicContact CD-CE1 4.26Å; K18-Y47 HydrophobicContact CD-CE2 4.19Å; K18-Y47 HydrophobicContact CD-CG 4.36Å; K18-Y47 HydrophobicContact CG-CD2 3.82Å; K18-Y47 HydrophobicContact CG-CE2 3.83Å; K18-Y47 HydrophobicContact CG-CG 4.33Å; K18-Y47 WeakPolarHBondContact O-CA 3.4Å; K18-Y47 VanDerWaalsContact O-CD2 3.27Å; K18-Y47 WeakPolarHBondContact O-CD2 3.27Å; T20-Y47 WeakPolarHBondContact CG2-OH 3.36Å; W44-Y47 HydrophobicContact CH2-CD1 4.23Å; W44-Y47 HydrophobicContact CZ2-CD1 4.42Å; W44-Y47 HydrophobicContact CZ3-CD1 4.49Å; W44-Y47 HydrophobicContact CZ3-CG 4.37Å; Y47-C49 HydrophobicContact CD1-CB 3.83Å; Y47-C49 HydrophobicContact CD2-CB 3.84Å; Y47-C49 HydrophobicContact CE1-CB 3.66Å; Y47-C49 HydrophobicContact CE2-CB 3.66Å; Y47-C49 HydrophobicContact CG-CB 3.92Å; Y47-C49 PolarHBondContact O-N 3.27Å; Y47-W53 HydrophobicContact CD1-CD2 4.26Å; Y47-W53 HydrophobicContact CD1-CE3 4.14Å; Y47-W53 AromaticContact CD1-CH2 3.87Å; Y47-W53 HydrophobicContact CD1-CH2 3.87Å; Y47-W53 HydrophobicContact CD1-CZ2 4.02Å; Y47-W53 AromaticContact CD1-CZ3 3.94Å; Y47-W53 HydrophobicContact CD1-CZ3 3.94Å; Y47-W53 AromaticContact CE1-CD2 3.5Å; Y47-W53 HydrophobicContact CE1-CD2 3.5Å; Y47-W53 VanDerWaalsContact CE1-CD2 3.5Å; Y47-W53 AromaticContact CE1-CE2 3.39Å; Y47-W53 AromaticContact CE1-CE3 3.82Å; Y47-W53 HydrophobicContact CE1-CE3 3.82Å; Y47-W53 HydrophobicContact CE1-CG 4.06Å; Y47-W53 AromaticContact CE1-CH2 3.91Å; Y47-W53 HydrophobicContact CE1-CH2 3.91Å; Y47-W53 AromaticContact CE1-CZ2 3.62Å; Y47-W53 HydrophobicContact CE1-CZ2 3.62Å; Y47-W53 HydrophobicContact CE1-CZ3 4.01Å; Y47-W53 AromaticContact CE1-NE1 3.82Å; Y47-R68 PolarHBondContact N-O 3.26Å; Y47-I69 WeakPolarHBondContact O-CA 3.41Å; Y47-S70 PolarHBondContact O-N 3.42Å; Y47-S70 VanDerWaalsContact O-N 3.16Å
48W94.8Very high88.8Confident90 Ų9071.1 Ų71.134%0.34134%0.344SS..EExtended strand (participates in β ladder)trans-80.890.4161.6-164.5-70.2000109.3K18 T19 L25 L29 F46K18-W48 PolarHBondContact O-N 3.03Å; T19-W48 WeakPolarHBondContact CA-O 3.49Å; T19-W48 WeakPolarHBondContact CB-O 3.39Å; T19-W48 PolarHBondContact OG1-O 3.25Å; L25-W48 HydrophobicContact CD1-CD2 4.48Å; L25-W48 HydrophobicContact CD1-CZ2 4.1Å; L25-W48 HydrophobicContact CD2-CD2 4.16Å; L25-W48 HydrophobicContact CD2-CE3 4.37Å; L25-W48 HydrophobicContact CD2-CH2 3.95Å; L25-W48 HydrophobicContact CD2-CZ2 3.66Å; L25-W48 HydrophobicContact CD2-CZ3 4.29Å; L29-W48 HydrophobicContact CD1-CB 4.2Å; F46-W48 HydrophobicContact CE1-CB 3.87Å; F46-W48 AromaticContact CE1-CE3 3.98Å; F46-W48 HydrophobicContact CE1-CE3 3.98Å; F46-W48 HydrophobicContact CZ-CB 4.34Å; F46-W48 AromaticContact CZ-CE3 3.71Å; F46-W48 HydrophobicContact CZ-CE3 3.71Å; F46-W48 HydrophobicContact CZ-CZ3 4.43Å
49C92.3Very high88.4Confident1 Ų174.3 Ų74.31%0.00736%0.36CS..  trans-100.7166.1-179.4770000111.3Y47 W53 I69 S70 H71Y47-C49 HydrophobicContact CD1-CB 3.83Å; Y47-C49 HydrophobicContact CD2-CB 3.84Å; Y47-C49 HydrophobicContact CE1-CB 3.66Å; Y47-C49 HydrophobicContact CE2-CB 3.66Å; Y47-C49 HydrophobicContact CG-CB 3.92Å; Y47-C49 PolarHBondContact O-N 3.27Å; C49-W53 HydrophobicContact CB-CB 4.18Å; C49-W53 HydrophobicContact CB-CD2 4.08Å; C49-W53 HydrophobicContact CB-CE3 3.73Å; C49-W53 HydrophobicContact CB-CG 4.25Å; C49-I69 WeakPolarHBondContact SG-CG2 3.29Å; C49-S70 PolarHBondContact N-OG 3.45Å; C49-S70 VanDerWaalsContact N-OG 3.15Å; C49-S70 PolarHBondContact O-OG 3.31Å; C49-H71 PolarHBondContact O-CD2 2.94Å; C49-H71 VanDerWaalsContact O-CD2 3.27Å; C49-H71 PolarHBondContact O-NE2 3.48Å; C49-H71 VanDerWaalsContact O-NE2 3.08Å
50D91.8Very high88.6Confident56 Ų5673.7 Ų73.730%0.29936%0.359SS..  trans-83.1167.8166.464.984.1000111.7S52 W53 L54D50-S52 VanDerWaalsContact C-N 3.3Å; D50-S52 PolarHBondContact O-N 2.89Å; D50-S52 VanDerWaalsContact OD1-CA 3.27Å; D50-S52 WeakPolarHBondContact OD1-CA 3.4Å; D50-S52 WeakPolarHBondContact OD1-CB 3.46Å; D50-S52 PolarHBondContact OD1-N 3.47Å; D50-W53 PolarHBondContact O-N 2.81Å; D50-W53 PolarHBondContact OD1-N 3.46Å; D50-L54 PolarHBondContact O-N 3.22Å
51V92.1Very high88.9Confident45 Ų4569.7 Ų69.727%0.27334%0.34SS..Hα-helixtrans-67.9-29.5-179.3173.90000112.2L54 R55 H75V51-L54 PolarHBondContact O-N 2.97Å; V51-R55 WeakPolarHBondContact O-CG 2.87Å; V51-R55 PolarHBondContact O-N 3.47Å; V51-H75 WeakPolarHBondContact CG1-NE2 3.25Å
52S91.4Very high89.4Confident66 Ų6669.5 Ų69.546%0.46233%0.332SS..Hα-helixtrans-68.9-45.3178.3-53.40000110.1D50 L54 R55 E56D50-S52 VanDerWaalsContact C-N 3.3Å; D50-S52 PolarHBondContact O-N 2.89Å; D50-S52 VanDerWaalsContact OD1-CA 3.27Å; D50-S52 WeakPolarHBondContact OD1-CA 3.4Å; D50-S52 WeakPolarHBondContact OD1-CB 3.46Å; D50-S52 PolarHBondContact OD1-N 3.47Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-L54 PolarHBondContact O-N 2.75Å; S52-R55 WeakPolarHBondContact O-CB 3.24Å; S52-R55 PolarHBondContact O-N 2.87Å; S52-R55 VanDerWaalsContact O-N 3.07Å; S52-E56 PolarHBondContact O-N 3.3Å
53W92.2Very high90Very high43 Ų4369.9 Ų69.916%0.16333%0.325CS..Hα-helixtrans-56.1-45.7174.3-172.389.6000111.5Y47 C49 D50 R55 E56 N57 M63 I69Y47-W53 HydrophobicContact CD1-CD2 4.26Å; Y47-W53 HydrophobicContact CD1-CE3 4.14Å; Y47-W53 AromaticContact CD1-CH2 3.87Å; Y47-W53 HydrophobicContact CD1-CH2 3.87Å; Y47-W53 HydrophobicContact CD1-CZ2 4.02Å; Y47-W53 AromaticContact CD1-CZ3 3.94Å; Y47-W53 HydrophobicContact CD1-CZ3 3.94Å; Y47-W53 AromaticContact CE1-CD2 3.5Å; Y47-W53 HydrophobicContact CE1-CD2 3.5Å; Y47-W53 VanDerWaalsContact CE1-CD2 3.5Å; Y47-W53 AromaticContact CE1-CE2 3.39Å; Y47-W53 AromaticContact CE1-CE3 3.82Å; Y47-W53 HydrophobicContact CE1-CE3 3.82Å; Y47-W53 HydrophobicContact CE1-CG 4.06Å; Y47-W53 AromaticContact CE1-CH2 3.91Å; Y47-W53 HydrophobicContact CE1-CH2 3.91Å; Y47-W53 AromaticContact CE1-CZ2 3.62Å; Y47-W53 HydrophobicContact CE1-CZ2 3.62Å; Y47-W53 HydrophobicContact CE1-CZ3 4.01Å; Y47-W53 AromaticContact CE1-NE1 3.82Å; C49-W53 HydrophobicContact CB-CB 4.18Å; C49-W53 HydrophobicContact CB-CD2 4.08Å; C49-W53 HydrophobicContact CB-CE3 3.73Å; C49-W53 HydrophobicContact CB-CG 4.25Å; D50-W53 PolarHBondContact O-N 2.81Å; D50-W53 PolarHBondContact OD1-N 3.46Å; W53-R55 VanDerWaalsContact C-N 3.31Å; W53-R55 PolarHBondContact O-N 2.99Å; W53-E56 PolarHBondContact O-N 3.24Å; W53-N57 HydrophobicContact CD2-CB 3.98Å; W53-N57 VanDerWaalsContact CE2-CG 3.49Å; W53-N57 HydrophobicContact CE3-CB 4.2Å; W53-N57 HydrophobicContact CH2-CB 3.83Å; W53-N57 HydrophobicContact CZ2-CB 3.53Å; W53-N57 HydrophobicContact CZ3-CB 4.14Å; W53-N57 PolarHBondContact NE1-ND2 3.01Å; W53-N57 VanDerWaalsContact O-CB 3.31Å; W53-N57 WeakPolarHBondContact O-CB 3.33Å; W53-N57 PolarHBondContact O-N 2.78Å; W53-N57 PolarHBondContact O-ND2 3.26Å; W53-M63 HydrophobicContact CH2-CE 3.8Å; W53-M63 HydrophobicContact CZ3-CE 4.03Å; W53-I69 HydrophobicContact CH2-CD1 4.44Å; W53-I69 HydrophobicContact CZ3-CD1 3.93Å
54L92.1Very high90.1Very high5 Ų567.9 Ų67.93%0.02632%0.318CS..Hα-helixtrans-56.3-46176.6-174.678000111.5D50 V51 S52 E56 F58 I69 H71D50-L54 PolarHBondContact O-N 3.22Å; V51-L54 PolarHBondContact O-N 2.97Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-L54 PolarHBondContact O-N 2.75Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 3.16Å; L54-F58 HydrophobicContact CD1-CB 3.88Å; L54-F58 HydrophobicContact CD1-CD2 3.43Å; L54-F58 VanDerWaalsContact CD1-CD2 3.43Å; L54-F58 HydrophobicContact CD1-CE2 4.28Å; L54-F58 HydrophobicContact CD1-CG 3.92Å; L54-F58 HydrophobicContact CG-CB 4.19Å; L54-F58 HydrophobicContact CG-CD2 4.49Å; L54-F58 WeakPolarHBondContact O-CB 3.4Å; L54-F58 PolarHBondContact O-N 2.72Å; L54-I69 HydrophobicContact CD1-CG2 4.25Å; L54-H71 HydrophobicContact CD1-CB 4.14Å; L54-H71 HydrophobicContact CD2-CB 3.48Å; L54-H71 VanDerWaalsContact CD2-CB 3.48Å; L54-H71 HydrophobicContact CG-CB 4.25Å
55R89.8Confident90Very high154 Ų15473.2 Ų73.258%0.58135%0.345SS*.Hα-helixtrans-64.6-37.6-178.4-71.7172.6-176-179.25112.6V51 S52 W53V51-R55 WeakPolarHBondContact O-CG 2.87Å; V51-R55 PolarHBondContact O-N 3.47Å; S52-R55 WeakPolarHBondContact O-CB 3.24Å; S52-R55 PolarHBondContact O-N 2.87Å; S52-R55 VanDerWaalsContact O-N 3.07Å; W53-R55 VanDerWaalsContact C-N 3.31Å; W53-R55 PolarHBondContact O-N 2.99Å
56E90Very high89.8Confident131 Ų13175.8 Ų75.861%0.61236%0.356SS*.Hα-helixtrans-82.2-27.8-176.7-70.5168.8-165.300113S52 W53 L54 H60S52-E56 PolarHBondContact O-N 3.3Å; W53-E56 PolarHBondContact O-N 3.24Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 3.16Å; E56-H60 PolarHBondContact O-CD2 3.46Å
57N88.7Confident89.8Confident44 Ų4475.1 Ų75.124%0.23536%0.355CS..Hα-helixtrans-116.3-28.9-167.1-64.6-92.5000113.6W53 D59 H60 T61W53-N57 HydrophobicContact CD2-CB 3.98Å; W53-N57 VanDerWaalsContact CE2-CG 3.49Å; W53-N57 HydrophobicContact CE3-CB 4.2Å; W53-N57 HydrophobicContact CH2-CB 3.83Å; W53-N57 HydrophobicContact CZ2-CB 3.53Å; W53-N57 HydrophobicContact CZ3-CB 4.14Å; W53-N57 PolarHBondContact NE1-ND2 3.01Å; W53-N57 VanDerWaalsContact O-CB 3.31Å; W53-N57 WeakPolarHBondContact O-CB 3.33Å; W53-N57 PolarHBondContact O-N 2.78Å; W53-N57 PolarHBondContact O-ND2 3.26Å; N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 2.77Å; N57-H60 CarbonylContact O-C 3.59Å; N57-H60 PolarHBondContact O-N 3.43Å; N57-T61 WeakPolarHBondContact O-CB 3.42Å; N57-T61 PolarHBondContact O-N 3.12Å; N57-T61 PolarHBondContact O-OG1 3.16Å
58F85.2Confident89.7Confident68 Ų6881.7 Ų81.730%0.29838%0.38SS..THydrogen-bonded Turntrans-62.8-33.1-170.8-169.3-84000113.1L54 M63 I69 R73L54-F58 HydrophobicContact CD1-CB 3.88Å; L54-F58 HydrophobicContact CD1-CD2 3.43Å; L54-F58 VanDerWaalsContact CD1-CD2 3.43Å; L54-F58 HydrophobicContact CD1-CE2 4.28Å; L54-F58 HydrophobicContact CD1-CG 3.92Å; L54-F58 HydrophobicContact CG-CB 4.19Å; L54-F58 HydrophobicContact CG-CD2 4.49Å; L54-F58 WeakPolarHBondContact O-CB 3.4Å; L54-F58 PolarHBondContact O-N 2.72Å; F58-M63 HydrophobicContact CD2-CE 4.05Å; F58-M63 HydrophobicContact CD2-SD 4.18Å; F58-M63 HydrophobicContact CE2-SD 4.25Å; F58-I69 HydrophobicContact CD2-CD1 4.29Å; F58-R73 HydrophobicContact CD1-CB 4.08Å; F58-R73 HydrophobicContact CD1-CG 3.77Å; F58-R73 HydrophobicContact CE1-CB 3.78Å; F58-R73 HydrophobicContact CE1-CG 3.78Å; F58-R73 HydrophobicContact CZ-CB 4.11Å
59D85.1Confident89.7Confident95 Ų9579 Ų7951%0.50837%0.371SS..THydrogen-bonded Turntrans-80.5-21.1177-92-49000114.5N57 R73N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 2.77Å; D59-R73 VanDerWaalsContact CG-NH1 3.31Å; D59-R73 IonicContact OD1-CZ 2.87Å; D59-R73 IonicContact OD1-NH1 3.23Å; D59-R73 PolarHBondContact OD1-NH1 3.11Å; D59-R73 IonicContact OD1-NH2 3.41Å; D59-R73 PolarHBondContact OD1-NH2 3.21Å; D59-R73 IonicContact OD2-CZ 2.78Å; D59-R73 IonicContact OD2-NH1 3.36Å; D59-R73 IonicContact OD2-NH2 3.32Å; D59-R73 PolarHBondContact OD2-NH2 3.31Å
60H83.6Confident89.8Confident160 Ų16080.6 Ų80.674%0.74138%0.383SS*.THydrogen-bonded Turntrans-111.1-7.2-170.1-60.2-59.8000112.7E56 N57E56-H60 PolarHBondContact O-CD2 3.46Å; N57-H60 CarbonylContact O-C 3.59Å; N57-H60 PolarHBondContact O-N 3.43Å
61T82.9Confident89.9Confident54 Ų5480.4 Ų80.433%0.33138%0.38SS..  trans-112.8120.7-177-51.60000109.6N57 M63N57-T61 WeakPolarHBondContact O-CB 3.42Å; N57-T61 PolarHBondContact O-N 3.12Å; N57-T61 PolarHBondContact O-OG1 3.16Å; T61-M63 HydrophobicContact CG2-CE 4.25Å; T61-M63 HydrophobicContact CG2-CG 4.24Å; T61-M63 PolarHBondContact O-N 3.29Å
62Y84.6Confident89.9Confident200 Ų20086.8 Ų86.878%0.78440%0.404SS*.  trans-69.1127.4165.3-175.6-95000108.9D64Y62-D64 WeakPolarHBondContact CE1-OD1 3.35Å
63M88.8Confident89.9Confident43 Ų4388.6 Ų88.621%0.21240%0.401CS..  trans-120.7129.4179.1-62.4171.4-173.100108.7W53 F58 T61 V67 I69W53-M63 HydrophobicContact CH2-CE 3.8Å; W53-M63 HydrophobicContact CZ3-CE 4.03Å; F58-M63 HydrophobicContact CD2-CE 4.05Å; F58-M63 HydrophobicContact CD2-SD 4.18Å; F58-M63 HydrophobicContact CE2-SD 4.25Å; T61-M63 HydrophobicContact CG2-CE 4.25Å; T61-M63 HydrophobicContact CG2-CG 4.24Å; T61-M63 PolarHBondContact O-N 3.29Å; M63-V67 HydrophobicContact CB-CB 4.35Å; M63-V67 HydrophobicContact CB-CG1 4.26Å; M63-I69 HydrophobicContact CE-CD1 3.36Å; M63-I69 HydrophobicContact SD-CD1 3.18Å; M63-I69 WeakPolarHBondContact SD-CD1 3.35Å; M63-I69 HydrophobicContact SD-CG1 4.41Å
64D89.6Confident89.9Confident76 Ų7690.7 Ų90.741%0.40642%0.416SS..  trans-64.4155.5177.9-66.3-38.2000111.9Y62 H66 V67Y62-D64 WeakPolarHBondContact CE1-OD1 3.35Å; D64-H66 VanDerWaalsContact CB-CE1 3.48Å; D64-H66 WeakPolarHBondContact CB-CE1 3.41Å; D64-H66 VanDerWaalsContact CB-ND1 3.27Å; D64-H66 WeakPolarHBondContact CB-ND1 3.37Å; D64-H66 PolarHBondContact O-N 2.86Å; D64-H66 IonicContact OD2-CE1 2.75Å; D64-H66 PolarHBondContact OD2-CE1 3.3Å; D64-V67 HydrophobicContact CB-CG2 4.05Å; D64-V67 VanDerWaalsContact O-CB 3.25Å; D64-V67 WeakPolarHBondContact O-CB 3.38Å; D64-V67 PolarHBondContact O-N 2.94Å
65E91.4Very high90Very high153 Ų15392.1 Ų92.172%0.71542%0.422SS*.THydrogen-bonded Turntrans-56.2-28.9-177.9-167.6-16114300113.4K9 V67 R68K9-E65 IonicContact NZ-OE1 2.73Å; K9-E65 PolarHBondContact NZ-OE1 2.7Å; E65-V67 VanDerWaalsContact C-N 3.33Å; E65-R68 PolarHBondContact O-NH1 3Å
66H91.4Very high90.3Very high69 Ų6988.2 Ų88.232%0.31941%0.408SS..THydrogen-bonded Turntrans-78-20.4-179.473.7-84000113.2R12 D45 D64 R68R12-H66 PolarHBondContact NH1-CD2 3.19Å; R12-H66 VanDerWaalsContact NH1-CD2 3.32Å; R12-H66 PolarHBondContact NH1-NE2 2.89Å; R12-H66 VanDerWaalsContact NH1-NE2 3.13Å; D45-H66 IonicContact OD1-CD2 3.56Å; D45-H66 PolarHBondContact OD1-CD2 2.77Å; D45-H66 IonicContact OD1-NE2 2.93Å; D64-H66 VanDerWaalsContact CB-CE1 3.48Å; D64-H66 WeakPolarHBondContact CB-CE1 3.41Å; D64-H66 VanDerWaalsContact CB-ND1 3.27Å; D64-H66 WeakPolarHBondContact CB-ND1 3.37Å; D64-H66 PolarHBondContact O-N 2.86Å; D64-H66 IonicContact OD2-CE1 2.75Å; D64-H66 PolarHBondContact OD2-CE1 3.3Å; H66-R68 PolarHBondContact O-NH1 3.2Å
67V93Very high90.6Very high20 Ų2084.7 Ų84.712%0.12139%0.391CS..  trans-69.1138.1-174171.90000110.8W44 D45 M63 D64 E65W44-V67 HydrophobicContact CE3-CG1 3.8Å; W44-V67 HydrophobicContact CH2-CG1 3.19Å; W44-V67 HydrophobicContact CZ2-CG1 4.02Å; W44-V67 HydrophobicContact CZ3-CB 4.4Å; W44-V67 HydrophobicContact CZ3-CG1 3.06Å; D45-V67 WeakPolarHBondContact O-CA 3.31Å; M63-V67 HydrophobicContact CB-CB 4.35Å; M63-V67 HydrophobicContact CB-CG1 4.26Å; D64-V67 HydrophobicContact CB-CG2 4.05Å; D64-V67 VanDerWaalsContact O-CB 3.25Å; D64-V67 WeakPolarHBondContact O-CB 3.38Å; D64-V67 PolarHBondContact O-N 2.94Å; E65-V67 VanDerWaalsContact C-N 3.33Å
68R93.4Very high91Very high143 Ų14387.9 Ų87.954%0.5441%0.408SS..EExtended strand (participates in β ladder)trans-127.3136.9178.1-63.2-66.7176.7-86.3-1.1110.5D45 F46 Y47 E65 H66D45-R68 PolarHBondContact O-N 3.45Å; F46-R68 CarbonylContact C-O 3.55Å; F46-R68 VanDerWaalsContact CA-O 3.3Å; F46-R68 WeakPolarHBondContact CA-O 3.41Å; F46-R68 HydrophobicContact CD2-CB 3.87Å; Y47-R68 PolarHBondContact N-O 3.26Å; E65-R68 PolarHBondContact O-NH1 3Å; H66-R68 PolarHBondContact O-NH1 3.2Å
69I94.1Very high91.5Very high32 Ų3289.1 Ų89.116%0.16442%0.421CS..EExtended strand (participates in β ladder)trans-123.2147.2176.1-62.5164.6000109.3W44 Y47 C49 W53 L54 F58 M63 H71W44-I69 HydrophobicContact CH2-CD1 4.09Å; W44-I69 HydrophobicContact CH2-CG1 3.87Å; W44-I69 HydrophobicContact CZ3-CG1 4.01Å; Y47-I69 WeakPolarHBondContact O-CA 3.41Å; C49-I69 WeakPolarHBondContact SG-CG2 3.29Å; W53-I69 HydrophobicContact CH2-CD1 4.44Å; W53-I69 HydrophobicContact CZ3-CD1 3.93Å; L54-I69 HydrophobicContact CD1-CG2 4.25Å; F58-I69 HydrophobicContact CD2-CD1 4.29Å; M63-I69 HydrophobicContact CE-CD1 3.36Å; M63-I69 HydrophobicContact SD-CD1 3.18Å; M63-I69 WeakPolarHBondContact SD-CD1 3.35Å; M63-I69 HydrophobicContact SD-CG1 4.41Å; I69-H71 PolarHBondContact O-N 2.87Å; I69-H71 VanDerWaalsContact O-N 3.11Å
70S94.5Very high92Very high35 Ų3590.1 Ų90.125%0.24542%0.418CS..SBendtrans-66.4-2-179.9520000115.7Y47 C49Y47-S70 PolarHBondContact O-N 3.42Å; Y47-S70 VanDerWaalsContact O-N 3.16Å; C49-S70 PolarHBondContact N-OG 3.45Å; C49-S70 VanDerWaalsContact N-OG 3.15Å; C49-S70 PolarHBondContact O-OG 3.31Å
71H94.1Very high92.6Very high53 Ų5387.8 Ų87.825%0.24541%0.405CS..SBendtrans-133.7140.4-175.4-68.8-65.8000113.2C49 L54 I69C49-H71 PolarHBondContact O-CD2 2.94Å; C49-H71 VanDerWaalsContact O-CD2 3.27Å; C49-H71 PolarHBondContact O-NE2 3.48Å; C49-H71 VanDerWaalsContact O-NE2 3.08Å; L54-H71 HydrophobicContact CD1-CB 4.14Å; L54-H71 HydrophobicContact CD2-CB 3.48Å; L54-H71 VanDerWaalsContact CD2-CB 3.48Å; L54-H71 HydrophobicContact CG-CB 4.25Å; I69-H71 PolarHBondContact O-N 2.87Å; I69-H71 VanDerWaalsContact O-N 3.11Å
72F92.9Very high93.1Very high178 Ų17887.7 Ų87.778%0.78140%0.403SS*.  trans-82.8137.4168.2-67.5-77.4000110.7N74 H75F72-N74 VanDerWaalsContact C-N 3.31Å; F72-N74 PolarHBondContact O-N 2.85Å; F72-H75 WeakPolarHBondContact O-CB 3.24Å; F72-H75 PolarHBondContact O-N 3.23Å; F72-H75 VanDerWaalsContact O-N 3.12Å; F72-H75 PolarHBondContact O-ND1 2.7Å
73R90.1Very high93.7Very high105 Ų10581.6 Ų81.640%0.39638%0.379SS..THydrogen-bonded Turntrans-47.3-49.8178.2-174.8-167.5172.995.36.6113.2F58 D59 H75 Y76F58-R73 HydrophobicContact CD1-CB 4.08Å; F58-R73 HydrophobicContact CD1-CG 3.77Å; F58-R73 HydrophobicContact CE1-CB 3.78Å; F58-R73 HydrophobicContact CE1-CG 3.78Å; F58-R73 HydrophobicContact CZ-CB 4.11Å; D59-R73 VanDerWaalsContact CG-NH1 3.31Å; D59-R73 IonicContact OD1-CZ 2.87Å; D59-R73 IonicContact OD1-NH1 3.23Å; D59-R73 PolarHBondContact OD1-NH1 3.11Å; D59-R73 IonicContact OD1-NH2 3.41Å; D59-R73 PolarHBondContact OD1-NH2 3.21Å; D59-R73 IonicContact OD2-CZ 2.78Å; D59-R73 IonicContact OD2-NH1 3.36Å; D59-R73 IonicContact OD2-NH2 3.32Å; D59-R73 PolarHBondContact OD2-NH2 3.31Å; R73-H75 PolarHBondContact O-N 3.21Å; R73-Y76 WeakPolarHBondContact O-CE1 3.33Å
74N92.9Very high94.1Very high87 Ų8783 Ų8347%0.46539%0.386SS..THydrogen-bonded Turntrans-97.224.6-174.9-61.7-13.3000113.4F72 Y76 E77F72-N74 VanDerWaalsContact C-N 3.31Å; F72-N74 PolarHBondContact O-N 2.85Å; N74-Y76 PolarHBondContact O-N 3.41Å; N74-E77 HydrophobicContact CB-CG 4.22Å; N74-E77 WeakPolarHBondContact O-CB 3.47Å; N74-E77 WeakPolarHBondContact O-CG 3.43Å; N74-E77 PolarHBondContact O-N 3.1Å; N74-E77 VanDerWaalsContact O-N 3.13Å
75H94.8Very high94.4Very high35 Ų3580.2 Ų80.216%0.16237%0.372CS..THydrogen-bonded Turntrans-54.5-28.3-18067.7-82000113.3V51 F72 R73 E77 L78 T79V51-H75 WeakPolarHBondContact CG1-NE2 3.25Å; F72-H75 WeakPolarHBondContact O-CB 3.24Å; F72-H75 PolarHBondContact O-N 3.23Å; F72-H75 VanDerWaalsContact O-N 3.12Å; F72-H75 PolarHBondContact O-ND1 2.7Å; R73-H75 PolarHBondContact O-N 3.21Å; H75-E77 PolarHBondContact O-N 2.76Å; H75-L78 PolarHBondContact O-N 3.04Å; H75-T79 PolarHBondContact CD2-OG1 3.48Å; H75-T79 WeakPolarHBondContact O-CG2 3.44Å; H75-T79 PolarHBondContact O-N 3.2Å; H75-T79 VanDerWaalsContact O-N 3.1Å; H75-T79 PolarHBondContact O-OG1 3.12Å
76Y94.8Very high94.6Very high72 Ų7278.1 Ų78.128%0.28236%0.36SS..Hα-helixtrans-64.9-21.4-177.959.3-98.8000113.8R73 N74 L78 T79 R80R73-Y76 WeakPolarHBondContact O-CE1 3.33Å; N74-Y76 PolarHBondContact O-N 3.41Å; Y76-L78 PolarHBondContact O-N 3.25Å; Y76-T79 VanDerWaalsContact CA-OG1 3.29Å; Y76-T79 WeakPolarHBondContact CA-OG1 3.24Å; Y76-T79 PolarHBondContact O-N 3.13Å; Y76-R80 WeakPolarHBondContact O-CB 3.15Å; Y76-R80 PolarHBondContact O-N 2.72Å; Y76-R80 VanDerWaalsContact O-N 3.11Å
77E96.7Very high94.9Very high57 Ų5776.4 Ų76.427%0.26635%0.353SS..Hα-helixtrans-59.6-27.9176.9-69.7-64.7158.100112.8N74 H75 Y83 M84 N87N74-E77 HydrophobicContact CB-CG 4.22Å; N74-E77 WeakPolarHBondContact O-CB 3.47Å; N74-E77 WeakPolarHBondContact O-CG 3.43Å; N74-E77 PolarHBondContact O-N 3.1Å; N74-E77 VanDerWaalsContact O-N 3.13Å; H75-E77 PolarHBondContact O-N 2.76Å; E77-Y83 CarbonylContact O-C 3.36Å; E77-M84 PolarHBondContact O-N 3.5Å; E77-N87 PolarHBondContact O-ND2 3.47Å; E77-N87 PolarHBondContact OE2-ND2 3.05Å
78L96.4Very high95.1Very high110 Ų11076.7 Ų76.758%0.57635%0.354SS*.Hα-helixtrans-120-11.6178.9-63.6178.7000113.7H75 Y76 M84H75-L78 PolarHBondContact O-N 3.04Å; Y76-L78 PolarHBondContact O-N 3.25Å; L78-M84 WeakPolarHBondContact O-CE 3.22Å
79T96Very high95.2Very high94 Ų9472.4 Ų72.458%0.57734%0.339SS*.Hα-helixtrans-100.6-18.4-179.354.20000113.5H75 Y76H75-T79 PolarHBondContact CD2-OG1 3.48Å; H75-T79 WeakPolarHBondContact O-CG2 3.44Å; H75-T79 PolarHBondContact O-N 3.2Å; H75-T79 VanDerWaalsContact O-N 3.1Å; H75-T79 PolarHBondContact O-OG1 3.12Å; Y76-T79 VanDerWaalsContact CA-OG1 3.29Å; Y76-T79 WeakPolarHBondContact CA-OG1 3.24Å; Y76-T79 PolarHBondContact O-N 3.13Å
80R95.9Very high95.3Very high117 Ų11778.4 Ų78.444%0.44236%0.36SS..SBendtrans-91.6126.6170.2-65.1177.866.3176.40109.5Y76 N82 Y83 M84Y76-R80 WeakPolarHBondContact O-CB 3.15Å; Y76-R80 PolarHBondContact O-N 2.72Å; Y76-R80 VanDerWaalsContact O-N 3.11Å; R80-N82 VanDerWaalsContact C-N 3.3Å; R80-N82 PolarHBondContact O-N 3.46Å; R80-Y83 HydrophobicContact CB-CD2 4Å; R80-Y83 PolarHBondContact O-N 3.33Å; R80-M84 WeakPolarHBondContact O-CB 3.42Å; R80-M84 PolarHBondContact O-N 3.32Å
81K95.5Very high95.5Very high110 Ų11081.5 Ų81.548%0.47837%0.369SS..Hα-helixtrans-54-43.6-173.5-63.6178.2-164145.50113.1M84 V85 K138 P139K81-M84 PolarHBondContact O-N 3.48Å; K81-V85 VanDerWaalsContact O-CG2 3.25Å; K81-V85 WeakPolarHBondContact O-CG2 3.39Å; K81-V85 PolarHBondContact O-N 3.4Å; K81-K138 HydrophobicContact CD-CB 4.1Å; K81-P139 PolarHBondContact NZ-O 2.91Å
82N94.6Very high95.6Very high52 Ų5283.3 Ų83.328%0.27837%0.374SS..Hα-helixtrans-66-46.6-17967.3-33.2000112.6R80 V85 K86 E115R80-N82 VanDerWaalsContact C-N 3.3Å; R80-N82 PolarHBondContact O-N 3.46Å; N82-V85 PolarHBondContact O-N 3.34Å; N82-K86 WeakPolarHBondContact O-CB 3.47Å; N82-K86 PolarHBondContact O-N 3.48Å; N82-E115 HydrophobicContact CB-CG 4.33Å; N82-E115 WeakPolarHBondContact CB-OE1 3.43Å; N82-E115 PolarHBondContact ND2-OE1 2.97Å; N82-E115 VanDerWaalsContact ND2-OE1 3.12Å
83Y96.8Very high95.8Very high72 Ų7282.2 Ų82.228%0.28237%0.369SS..Hα-helixtrans-63.4-43.4174.4-78.6-81.1000112.3E77 R80 V85 K86 N87E77-Y83 CarbonylContact O-C 3.36Å; R80-Y83 HydrophobicContact CB-CD2 4Å; R80-Y83 PolarHBondContact O-N 3.33Å; Y83-V85 PolarHBondContact O-N 2.93Å; Y83-K86 PolarHBondContact O-N 3.33Å; Y83-N87 WeakPolarHBondContact O-CB 3.35Å; Y83-N87 PolarHBondContact O-N 3.01Å; Y83-N87 PolarHBondContact O-ND2 2.81Å
84M97.2Very high96.2Very high74 Ų7482.6 Ų82.637%0.36537%0.371SS..Hα-helixtrans-55.8-51.8176.8-176.6-160.9-74.800110.7E77 L78 R80 K81 K86 N87 L88E77-M84 PolarHBondContact O-N 3.5Å; L78-M84 WeakPolarHBondContact O-CE 3.22Å; R80-M84 WeakPolarHBondContact O-CB 3.42Å; R80-M84 PolarHBondContact O-N 3.32Å; K81-M84 PolarHBondContact O-N 3.48Å; M84-K86 PolarHBondContact O-N 3.33Å; M84-N87 PolarHBondContact O-N 3.43Å; M84-L88 HydrophobicContact CG-CD1 3.77Å; M84-L88 HydrophobicContact CG-CG 4.35Å; M84-L88 WeakPolarHBondContact O-CB 3.34Å; M84-L88 VanDerWaalsContact O-CG 3.25Å; M84-L88 WeakPolarHBondContact O-CG 3.3Å; M84-L88 PolarHBondContact O-N 2.98Å; M84-L88 HydrophobicContact SD-CD1 4.3Å
85V95.9Very high96.5Very high17 Ų1779.4 Ų79.410%0.10335%0.354CS..Hα-helixtrans-62.1-44.2179.9170.40000111.2K81 N82 Y83 N87 L88 K89 T113K81-V85 VanDerWaalsContact O-CG2 3.25Å; K81-V85 WeakPolarHBondContact O-CG2 3.39Å; K81-V85 PolarHBondContact O-N 3.4Å; N82-V85 PolarHBondContact O-N 3.34Å; Y83-V85 PolarHBondContact O-N 2.93Å; V85-N87 PolarHBondContact O-N 3.44Å; V85-L88 PolarHBondContact O-N 3.34Å; V85-K89 HydrophobicContact CG1-CD 3.97Å; V85-K89 HydrophobicContact CG1-CG 4.34Å; V85-K89 VanDerWaalsContact O-CB 3.31Å; V85-K89 WeakPolarHBondContact O-CB 3.45Å; V85-K89 VanDerWaalsContact O-CG 3.27Å; V85-K89 WeakPolarHBondContact O-CG 3.36Å; V85-K89 PolarHBondContact O-N 2.9Å; V85-T113 HydrophobicContact CB-CG2 4.43Å; V85-T113 HydrophobicContact CG1-CG2 4.07Å; V85-T113 HydrophobicContact CG2-CG2 3.62Å
86K95.4Very high96.6Very high108 Ų10881.7 Ų81.747%0.4736%0.364SS..Hα-helixtrans-59.9-45.3177.5-177.7178.2179.2177.20111.8N82 Y83 M84 R90N82-K86 WeakPolarHBondContact O-CB 3.47Å; N82-K86 PolarHBondContact O-N 3.48Å; Y83-K86 PolarHBondContact O-N 3.33Å; M84-K86 PolarHBondContact O-N 3.33Å; K86-R90 WeakPolarHBondContact O-CB 3.31Å; K86-R90 PolarHBondContact O-N 3.27Å
87N97.6Very high96.7Very high34 Ų3487 Ų8718%0.18238%0.384CS..Hα-helixtrans-69.8-42-179.9-74.5-30.9000112.3E77 Y83 M84 V85 R90 F91E77-N87 PolarHBondContact O-ND2 3.47Å; E77-N87 PolarHBondContact OE2-ND2 3.05Å; Y83-N87 WeakPolarHBondContact O-CB 3.35Å; Y83-N87 PolarHBondContact O-N 3.01Å; Y83-N87 PolarHBondContact O-ND2 2.81Å; M84-N87 PolarHBondContact O-N 3.43Å; V85-N87 PolarHBondContact O-N 3.44Å; N87-R90 WeakPolarHBondContact O-CB 3.42Å; N87-R90 PolarHBondContact O-N 2.81Å; N87-F91 WeakPolarHBondContact O-CB 3.43Å; N87-F91 PolarHBondContact O-N 3.11Å
88L97.3Very high96.8Very high26 Ų2689.1 Ų89.114%0.13639%0.394CS..Hα-helixtrans-66.2-41.3176.5-71.2175.7000112M84 V85 R90 F91 R92 F109 F110M84-L88 HydrophobicContact CG-CD1 3.77Å; M84-L88 HydrophobicContact CG-CG 4.35Å; M84-L88 WeakPolarHBondContact O-CB 3.34Å; M84-L88 VanDerWaalsContact O-CG 3.25Å; M84-L88 WeakPolarHBondContact O-CG 3.3Å; M84-L88 PolarHBondContact O-N 2.98Å; M84-L88 HydrophobicContact SD-CD1 4.3Å; V85-L88 PolarHBondContact O-N 3.34Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.89Å; L88-F91 PolarHBondContact O-N 3.16Å; L88-R92 WeakPolarHBondContact O-CB 3.42Å; L88-R92 PolarHBondContact O-N 3.23Å; L88-F109 HydrophobicContact CD1-CE2 4.18Å; L88-F109 HydrophobicContact CD2-CE2 4.16Å; L88-F109 HydrophobicContact CD2-CZ 3.79Å; L88-F110 HydrophobicContact CB-CD1 3.99Å; L88-F110 HydrophobicContact CB-CD2 4.48Å; L88-F110 HydrophobicContact CB-CE1 3.59Å; L88-F110 HydrophobicContact CB-CE2 4.14Å; L88-F110 HydrophobicContact CB-CG 4.42Å; L88-F110 HydrophobicContact CB-CZ 3.68Å; L88-F110 HydrophobicContact CD1-CB 4.11Å; L88-F110 HydrophobicContact CD1-CD1 3.83Å; L88-F110 HydrophobicContact CD1-CD2 4.33Å; L88-F110 HydrophobicContact CD1-CE1 4.32Å; L88-F110 HydrophobicContact CD1-CG 3.84Å; L88-F110 HydrophobicContact CG-CD1 4.37Å; L88-F110 HydrophobicContact CG-CE1 4.41Å
89K95.9Very high96.9Very high53 Ų5387.4 Ų87.423%0.2339%0.391CS..Hα-helixtrans-59-43.6171.3-77.5176.5174.91780111.3V85 K93 T113 E119V85-K89 HydrophobicContact CG1-CD 3.97Å; V85-K89 HydrophobicContact CG1-CG 4.34Å; V85-K89 VanDerWaalsContact O-CB 3.31Å; V85-K89 WeakPolarHBondContact O-CB 3.45Å; V85-K89 VanDerWaalsContact O-CG 3.27Å; V85-K89 WeakPolarHBondContact O-CG 3.36Å; V85-K89 PolarHBondContact O-N 2.9Å; K89-K93 WeakPolarHBondContact O-CG 3.36Å; K89-K93 PolarHBondContact O-N 3.25Å; K89-K93 VanDerWaalsContact O-N 3.16Å; K89-T113 WeakPolarHBondContact CE-O 3.25Å; K89-T113 PolarHBondContact NZ-O 3.46Å; K89-E119 IonicContact NZ-OE1 3.18Å; K89-E119 PolarHBondContact NZ-OE1 3.15Å; K89-E119 IonicContact NZ-OE2 3.25Å; K89-E119 PolarHBondContact NZ-OE2 3.08Å
90R96.8Very high96.9Very high157 Ų15784.3 Ų84.359%0.59238%0.378SS*.Hα-helixtrans-63.3-45.1176.6-176.9-173.8-70176.2-5.1111.3K86 N87 L88 K93 Y94K86-R90 WeakPolarHBondContact O-CB 3.31Å; K86-R90 PolarHBondContact O-N 3.27Å; N87-R90 WeakPolarHBondContact O-CB 3.42Å; N87-R90 PolarHBondContact O-N 2.81Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.89Å; R90-K93 PolarHBondContact O-N 3.12Å; R90-Y94 PolarHBondContact O-N 2.92Å
91F97.4Very high97Very high101 Ų10186.3 Ų86.344%0.44339%0.39SS..Hα-helixtrans-63.7-44.6179.6-179.3-116.8000112N87 L88 K93 Y94 L95N87-F91 WeakPolarHBondContact O-CB 3.43Å; N87-F91 PolarHBondContact O-N 3.11Å; L88-F91 PolarHBondContact O-N 3.16Å; F91-K93 PolarHBondContact O-N 2.89Å; F91-Y94 HydrophobicContact CD2-CD1 4.44Å; F91-Y94 WeakPolarHBondContact O-CB 3.13Å; F91-Y94 PolarHBondContact O-N 2.87Å; F91-Y94 VanDerWaalsContact O-N 3.16Å; F91-L95 HydrophobicContact CD1-CD1 4.1Å; F91-L95 HydrophobicContact CD2-CG 4.49Å; F91-L95 HydrophobicContact CE1-CD1 3.51Å; F91-L95 HydrophobicContact CE1-CG 4.17Å; F91-L95 HydrophobicContact CE2-CD1 4.28Å; F91-L95 HydrophobicContact CE2-CD2 4.14Å; F91-L95 HydrophobicContact CE2-CG 4.07Å; F91-L95 HydrophobicContact CZ-CD1 3.62Å; F91-L95 HydrophobicContact CZ-CD2 4.03Å; F91-L95 HydrophobicContact CZ-CG 3.9Å; F91-L95 PolarHBondContact O-N 2.89Å
92R97.6Very high97Very high91 Ų9187.1 Ų87.134%0.34340%0.404SS..Hα-helixtrans-56.8-47.5173.5-179-177.6176.1143.911.3112.1L88 Y94 L95 E96 A104 C107 D108L88-R92 WeakPolarHBondContact O-CB 3.42Å; L88-R92 PolarHBondContact O-N 3.23Å; R92-Y94 VanDerWaalsContact C-N 3.29Å; R92-Y94 PolarHBondContact O-N 2.95Å; R92-L95 PolarHBondContact O-N 3.25Å; R92-E96 PolarHBondContact O-N 3.28Å; R92-A104 HydrophobicContact CG-CB 4.16Å; R92-C107 HydrophobicContact CB-CB 3.93Å; R92-C107 HydrophobicContact CG-CB 4Å; R92-D108 IonicContact CZ-OD1 2.97Å; R92-D108 VanDerWaalsContact CZ-OD1 3.25Å; R92-D108 IonicContact NH1-OD1 3.15Å; R92-D108 PolarHBondContact NH1-OD1 3.49Å; R92-D108 IonicContact NH2-OD1 3.5Å; R92-D108 PolarHBondContact NH2-OD1 2.87Å
93K96.9Very high97.1Very high154 Ų15487.6 Ų87.667%0.6741%0.405SS*.Hα-helixtrans-61.6-38.4177.2-74.2-179.2-179.7-175.30112.2K89 R90 F91 R97K89-K93 WeakPolarHBondContact O-CG 3.36Å; K89-K93 PolarHBondContact O-N 3.25Å; K89-K93 VanDerWaalsContact O-N 3.16Å; R90-K93 PolarHBondContact O-N 3.12Å; F91-K93 PolarHBondContact O-N 2.89Å; K93-R97 PolarHBondContact O-N 3.32Å
94Y98.1Very high97.2Very high113 Ų11384.3 Ų84.344%0.44339%0.392SS..Hα-helixtrans-62.6-51.5174.5170.5-98.5000111R90 F91 R92 E96 R97 E98R90-Y94 PolarHBondContact O-N 2.92Å; F91-Y94 HydrophobicContact CD2-CD1 4.44Å; F91-Y94 WeakPolarHBondContact O-CB 3.13Å; F91-Y94 PolarHBondContact O-N 2.87Å; F91-Y94 VanDerWaalsContact O-N 3.16Å; R92-Y94 VanDerWaalsContact C-N 3.29Å; R92-Y94 PolarHBondContact O-N 2.95Å; Y94-E96 VanDerWaalsContact C-N 3.3Å; Y94-E96 PolarHBondContact O-N 2.83Å; Y94-R97 PolarHBondContact O-N 2.95Å; Y94-R97 VanDerWaalsContact O-N 3.13Å; Y94-E98 HydrophobicContact CD1-CG 4.49Å; Y94-E98 HydrophobicContact CD2-CG 3.88Å; Y94-E98 HydrophobicContact CE1-CG 4.14Å; Y94-E98 HydrophobicContact CE2-CG 3.46Å; Y94-E98 VanDerWaalsContact CE2-CG 3.46Å; Y94-E98 HydrophobicContact CG-CG 4.38Å; Y94-E98 WeakPolarHBondContact O-CG 3.29Å; Y94-E98 PolarHBondContact O-N 3.34Å
95L97.9Very high97.1Very high21 Ų2182.8 Ų82.811%0.1139%0.392CS..Hα-helixtrans-59.1-40.3177.2-70.5-179.3000112.7F91 R92 R97 E98 S99 G100 E103 A104F91-L95 HydrophobicContact CD1-CD1 4.1Å; F91-L95 HydrophobicContact CD2-CG 4.49Å; F91-L95 HydrophobicContact CE1-CD1 3.51Å; F91-L95 HydrophobicContact CE1-CG 4.17Å; F91-L95 HydrophobicContact CE2-CD1 4.28Å; F91-L95 HydrophobicContact CE2-CD2 4.14Å; F91-L95 HydrophobicContact CE2-CG 4.07Å; F91-L95 HydrophobicContact CZ-CD1 3.62Å; F91-L95 HydrophobicContact CZ-CD2 4.03Å; F91-L95 HydrophobicContact CZ-CG 3.9Å; F91-L95 PolarHBondContact O-N 2.89Å; R92-L95 PolarHBondContact O-N 3.25Å; L95-R97 VanDerWaalsContact C-N 3.27Å; L95-R97 PolarHBondContact O-N 2.7Å; L95-E98 PolarHBondContact O-N 2.8Å; L95-S99 CarbonylContact O-C 3.55Å; L95-S99 WeakPolarHBondContact O-CA 2.9Å; L95-S99 PolarHBondContact O-N 2.89Å; L95-G100 PolarHBondContact O-N 3.41Å; L95-E103 HydrophobicContact CD1-CG 4.47Å; L95-E103 HydrophobicContact CD2-CG 4.18Å; L95-A104 HydrophobicContact CB-CB 4.29Å
96E97.8Very high97.1Very high82 Ų8288.4 Ų88.438%0.38342%0.415SS..Hα-helixtrans-62.3-38.2178.5-170.8170.9179.100111.6R92 Y94 G100 K101 A104R92-E96 PolarHBondContact O-N 3.28Å; Y94-E96 VanDerWaalsContact C-N 3.3Å; Y94-E96 PolarHBondContact O-N 2.83Å; E96-G100 WeakPolarHBondContact O-CA 3.32Å; E96-G100 PolarHBondContact O-N 3.45Å; E96-G100 VanDerWaalsContact O-N 3.11Å; E96-K101 HydrophobicContact CG-CG 4.09Å; E96-K101 WeakPolarHBondContact OE1-CE 3.27Å; E96-K101 WeakPolarHBondContact OE1-CG 3.38Å; E96-A104 HydrophobicContact CB-CB 3.68Å; E96-A104 HydrophobicContact CG-CB 4.34Å
97R97.9Very high97.1Very high183 Ų18383.4 Ų83.469%0.69139%0.393SS*.Hα-helixtrans-72.2-43.9178.1-172.4-177.868.2-1620112.7K93 Y94 L95K93-R97 PolarHBondContact O-N 3.32Å; Y94-R97 PolarHBondContact O-N 2.95Å; Y94-R97 VanDerWaalsContact O-N 3.13Å; L95-R97 VanDerWaalsContact C-N 3.27Å; L95-R97 PolarHBondContact O-N 2.7Å
98E98Very high97Very high102 Ų10286.5 Ų86.548%0.47741%0.41SS..Hα-helixtrans-85.9-29.4-173.5-57.1-55.7134.800113.4Y94 L95Y94-E98 HydrophobicContact CD1-CG 4.49Å; Y94-E98 HydrophobicContact CD2-CG 3.88Å; Y94-E98 HydrophobicContact CE1-CG 4.14Å; Y94-E98 HydrophobicContact CE2-CG 3.46Å; Y94-E98 VanDerWaalsContact CE2-CG 3.46Å; Y94-E98 HydrophobicContact CG-CG 4.38Å; Y94-E98 WeakPolarHBondContact O-CG 3.29Å; Y94-E98 PolarHBondContact O-N 3.34Å; L95-E98 PolarHBondContact O-N 2.8Å
99S97.5Very high97Very high75 Ų7592 Ų9252%0.52443%0.433SS..Hα-helixtrans-1374.4-168.1-550000113.5L95L95-S99 CarbonylContact O-C 3.55Å; L95-S99 WeakPolarHBondContact O-CA 2.9Å; L95-S99 PolarHBondContact O-N 2.89Å
100G97.3Very high97Very high29 Ų2991 Ų9130%0.29943%0.429SS..Hα-helixtrans80.6177.2174.500000114.5L95 E96 T102 E103 A104L95-G100 PolarHBondContact O-N 3.41Å; E96-G100 WeakPolarHBondContact O-CA 3.32Å; E96-G100 PolarHBondContact O-N 3.45Å; E96-G100 VanDerWaalsContact O-N 3.11Å; G100-T102 VanDerWaalsContact C-N 3.32Å; G100-T102 PolarHBondContact O-N 2.83Å; G100-E103 PolarHBondContact O-N 2.83Å; G100-A104 PolarHBondContact O-N 2.98Å
101K96.7Very high96.9Very high158 Ų15888.2 Ų88.269%0.68743%0.431SS*.Hα-helixtrans-63.3-34.9-171.6-68-176.3178.1-1790113.8E96 E103 A104 A105E96-K101 HydrophobicContact CG-CG 4.09Å; E96-K101 WeakPolarHBondContact OE1-CE 3.27Å; E96-K101 WeakPolarHBondContact OE1-CG 3.38Å; K101-E103 VanDerWaalsContact C-N 3.34Å; K101-E103 PolarHBondContact O-N 2.82Å; K101-A104 PolarHBondContact O-N 3.28Å; K101-A105 WeakPolarHBondContact O-CB 3.42Å; K101-A105 PolarHBondContact O-N 2.86Å
102T97.3Very high96.8Very high127 Ų12789 Ų8978%0.77943%0.434SS*.Hα-helixtrans-63.9-40.7-179.9-53.70000111.4G100 A105G100-T102 VanDerWaalsContact C-N 3.32Å; G100-T102 PolarHBondContact O-N 2.83Å; T102-A105 PolarHBondContact O-N 2.87Å
103E96.8Very high96.7Very high63 Ų6387 Ų8729%0.29443%0.432SS..Hα-helixtrans-71.2-42176.9-16861.2-155.500111.1L95 G100 K101 A105 K106L95-E103 HydrophobicContact CD1-CG 4.47Å; L95-E103 HydrophobicContact CD2-CG 4.18Å; G100-E103 PolarHBondContact O-N 2.83Å; K101-E103 VanDerWaalsContact C-N 3.34Å; K101-E103 PolarHBondContact O-N 2.82Å; E103-A105 PolarHBondContact O-N 2.87Å; E103-K106 VanDerWaalsContact O-CB 3.3Å; E103-K106 WeakPolarHBondContact O-CB 3.46Å; E103-K106 WeakPolarHBondContact O-CG 3.27Å; E103-K106 PolarHBondContact O-N 2.79Å; E103-K106 VanDerWaalsContact O-N 3.07Å; E103-K106 WeakPolarHBondContact OE1-CD 3.35Å; E103-K106 WeakPolarHBondContact OE1-CE 3.21Å; E103-K106 IonicContact OE1-NZ 2.74Å; E103-K106 PolarHBondContact OE1-NZ 2.85Å; E103-K106 WeakPolarHBondContact OE2-CE 3.2Å; E103-K106 IonicContact OE2-NZ 2.7Å; E103-K106 PolarHBondContact OE2-NZ 3.45Å
104A97.1Very high96.7Very high2 Ų281.5 Ų81.52%0.01741%0.408CS..Hα-helixtrans-62.3-28.7176.700000113.6R92 L95 E96 G100 K101 K106 C107R92-A104 HydrophobicContact CG-CB 4.16Å; L95-A104 HydrophobicContact CB-CB 4.29Å; E96-A104 HydrophobicContact CB-CB 3.68Å; E96-A104 HydrophobicContact CG-CB 4.34Å; G100-A104 PolarHBondContact O-N 2.98Å; K101-A104 PolarHBondContact O-N 3.28Å; A104-K106 PolarHBondContact O-N 3.47Å; A104-C107 VanDerWaalsContact O-CB 3.25Å; A104-C107 WeakPolarHBondContact O-CB 3.42Å; A104-C107 PolarHBondContact O-N 3.25Å
105A96.3Very high96.6Very high43 Ų4379.4 Ų79.436%0.35540%0.402SS..G310 helixtrans-63.4-21.3175.600000112.6K101 T102 E103 C107 D108K101-A105 WeakPolarHBondContact O-CB 3.42Å; K101-A105 PolarHBondContact O-N 2.86Å; T102-A105 PolarHBondContact O-N 2.87Å; E103-A105 PolarHBondContact O-N 2.87Å; A105-C107 PolarHBondContact O-N 3.23Å; A105-C107 VanDerWaalsContact O-N 3.08Å; A105-D108 VanDerWaalsContact O-CB 3.31Å; A105-D108 WeakPolarHBondContact O-CB 3.03Å; A105-D108 VanDerWaalsContact O-CG 3.32Å; A105-D108 PolarHBondContact O-N 3.17Å
106K95.8Very high96.4Very high135 Ų13582.7 Ų82.759%0.58742%0.418SS*.G310 helixtrans-62.3-15.8170.9-62.3-176.2-170.9165.40112.7E103 A104 D108 F109E103-K106 VanDerWaalsContact O-CB 3.3Å; E103-K106 WeakPolarHBondContact O-CB 3.46Å; E103-K106 WeakPolarHBondContact O-CG 3.27Å; E103-K106 PolarHBondContact O-N 2.79Å; E103-K106 VanDerWaalsContact O-N 3.07Å; E103-K106 WeakPolarHBondContact OE1-CD 3.35Å; E103-K106 WeakPolarHBondContact OE1-CE 3.21Å; E103-K106 IonicContact OE1-NZ 2.74Å; E103-K106 PolarHBondContact OE1-NZ 2.85Å; E103-K106 WeakPolarHBondContact OE2-CE 3.2Å; E103-K106 IonicContact OE2-NZ 2.7Å; E103-K106 PolarHBondContact OE2-NZ 3.45Å; A104-K106 PolarHBondContact O-N 3.47Å; K106-D108 VanDerWaalsContact C-N 3.29Å; K106-F109 WeakPolarHBondContact O-CD1 3.15Å
107C96.3Very high96.3Very high2 Ų283.9 Ų83.91%0.01443%0.433CS..G310 helixtrans-81.81.7172.9-68.10000114.2R92 A104 A105 F109 F110R92-C107 HydrophobicContact CB-CB 3.93Å; R92-C107 HydrophobicContact CG-CB 4Å; A104-C107 VanDerWaalsContact O-CB 3.25Å; A104-C107 WeakPolarHBondContact O-CB 3.42Å; A104-C107 PolarHBondContact O-N 3.25Å; A105-C107 PolarHBondContact O-N 3.23Å; A105-C107 VanDerWaalsContact O-N 3.08Å; C107-F109 PolarHBondContact O-N 3.08Å; C107-F110 HydrophobicContact CB-CE1 4Å; C107-F110 WeakPolarHBondContact O-CD1 3.45Å; C107-F110 WeakPolarHBondContact O-CE1 3.49Å
108D95.4Very high96.2Very high100 Ų10080.3 Ų80.354%0.53544%0.435SS..THydrogen-bonded Turntrans-74.415.5178.9-65.3-29.4000113.5R92 A105 K106R92-D108 IonicContact CZ-OD1 2.97Å; R92-D108 VanDerWaalsContact CZ-OD1 3.25Å; R92-D108 IonicContact NH1-OD1 3.15Å; R92-D108 PolarHBondContact NH1-OD1 3.49Å; R92-D108 IonicContact NH2-OD1 3.5Å; R92-D108 PolarHBondContact NH2-OD1 2.87Å; A105-D108 VanDerWaalsContact O-CB 3.31Å; A105-D108 WeakPolarHBondContact O-CB 3.03Å; A105-D108 VanDerWaalsContact O-CG 3.32Å; A105-D108 PolarHBondContact O-N 3.17Å; K106-D108 VanDerWaalsContact C-N 3.29Å
109F96.8Very high96.1Very high142 Ų14277.6 Ų77.662%0.62342%0.422SS*.THydrogen-bonded Turntrans-78.8-14.7171.565-104.1000113.9L88 K106 C107L88-F109 HydrophobicContact CD1-CE2 4.18Å; L88-F109 HydrophobicContact CD2-CE2 4.16Å; L88-F109 HydrophobicContact CD2-CZ 3.79Å; K106-F109 WeakPolarHBondContact O-CD1 3.15Å; C107-F109 PolarHBondContact O-N 3.08Å
110F95.5Very high96.1Very high32 Ų3279.9 Ų79.914%0.1442%0.42CS..SBendtrans-114.2140.9176.474.7-87.7000110.8L88 C107L88-F110 HydrophobicContact CB-CD1 3.99Å; L88-F110 HydrophobicContact CB-CD2 4.48Å; L88-F110 HydrophobicContact CB-CE1 3.59Å; L88-F110 HydrophobicContact CB-CE2 4.14Å; L88-F110 HydrophobicContact CB-CG 4.42Å; L88-F110 HydrophobicContact CB-CZ 3.68Å; L88-F110 HydrophobicContact CD1-CB 4.11Å; L88-F110 HydrophobicContact CD1-CD1 3.83Å; L88-F110 HydrophobicContact CD1-CD2 4.33Å; L88-F110 HydrophobicContact CD1-CE1 4.32Å; L88-F110 HydrophobicContact CD1-CG 3.84Å; L88-F110 HydrophobicContact CG-CD1 4.37Å; L88-F110 HydrophobicContact CG-CE1 4.41Å; C107-F110 HydrophobicContact CB-CE1 4Å; C107-F110 WeakPolarHBondContact O-CD1 3.45Å; C107-F110 WeakPolarHBondContact O-CE1 3.49Å
111P95.4Very high96.1Very high98 Ų9885.3 Ų85.364%0.63644%0.437SS*.  trans-71.5154.3-175.229.8-35.4000111.6T113P111-T113 PolarHBondContact O-N 2.81Å; P111-T113 PolarHBondContact O-OG1 2.98Å
112K94.6Very high96.1Very high118 Ų11882 Ų8251%0.51343%0.427SS..  trans-55.3118.6168.7-175.1175.5-69.6-171.80108.8F114 E126 W135K112-F114 HydrophobicContact CD-CE2 3.98Å; K112-F114 HydrophobicContact CD-CZ 3.88Å; K112-F114 HydrophobicContact CG-CE2 3.85Å; K112-F114 HydrophobicContact CG-CZ 4.01Å; K112-E126 HydrophobicContact CD-CG 3.77Å; K112-E126 IonicContact NZ-OE1 3.55Å; K112-E126 PolarHBondContact NZ-OE1 2.91Å; K112-E126 IonicContact NZ-OE2 3.8Å; K112-E126 PolarHBondContact NZ-OE2 2.93Å; K112-W135 HydrophobicContact CD-CH2 4.43Å
113T96.4Very high96.1Very high48 Ų4878.3 Ų78.329%0.29440%0.4SS..  trans-131.8142.6-173.1-55.10000109.9V85 K89 P111V85-T113 HydrophobicContact CB-CG2 4.43Å; V85-T113 HydrophobicContact CG1-CG2 4.07Å; V85-T113 HydrophobicContact CG2-CG2 3.62Å; K89-T113 WeakPolarHBondContact CE-O 3.25Å; K89-T113 PolarHBondContact NZ-O 3.46Å; P111-T113 PolarHBondContact O-N 2.81Å; P111-T113 PolarHBondContact O-OG1 2.98Å
114F96.4Very high96.1Very high39 Ų3976.5 Ų76.517%0.17139%0.393CS..  trans-121.8133.8177.7-61-84.9000110.1K112 M116 E119 L122 F123 E126 W135K112-F114 HydrophobicContact CD-CE2 3.98Å; K112-F114 HydrophobicContact CD-CZ 3.88Å; K112-F114 HydrophobicContact CG-CE2 3.85Å; K112-F114 HydrophobicContact CG-CZ 4.01Å; F114-M116 HydrophobicContact CB-SD 4.36Å; F114-E119 VanDerWaalsContact CA-OE2 3.24Å; F114-E119 WeakPolarHBondContact CA-OE2 3.18Å; F114-E119 HydrophobicContact CB-CB 4.14Å; F114-E119 HydrophobicContact CD1-CB 4.13Å; F114-L122 HydrophobicContact CD1-CB 4.02Å; F114-L122 HydrophobicContact CE1-CB 3.82Å; F114-F123 HydrophobicContact CB-CB 4.02Å; F114-F123 HydrophobicContact CD1-CB 4.25Å; F114-F123 HydrophobicContact CD2-CB 3.94Å; F114-F123 AromaticContact CD2-CD2 3.72Å; F114-F123 HydrophobicContact CD2-CD2 3.72Å; F114-F123 HydrophobicContact CD2-CG 4.29Å; F114-F123 HydrophobicContact CE2-CB 4.45Å; F114-F123 HydrophobicContact CE2-CD2 4.09Å; F114-F123 HydrophobicContact CG-CB 3.81Å; F114-F123 HydrophobicContact CG-CD2 4.41Å; F114-E126 HydrophobicContact CE2-CB 4.08Å; F114-E126 HydrophobicContact CE2-CG 4.12Å; F114-E126 HydrophobicContact CZ-CB 3.73Å; F114-E126 HydrophobicContact CZ-CG 3.95Å; F114-W135 HydrophobicContact CD2-CZ3 4.16Å; F114-W135 AromaticContact CE2-CH2 3.91Å; F114-W135 HydrophobicContact CE2-CH2 3.91Å; F114-W135 AromaticContact CE2-CZ3 3.88Å; F114-W135 HydrophobicContact CE2-CZ3 3.88Å
115E95.3Very high96Very high68 Ų6881.1 Ų81.132%0.31842%0.415SS..  trans-86.4119.3174.9-176.6174.5-158.900109.9N82 C118 E119N82-E115 HydrophobicContact CB-CG 4.33Å; N82-E115 WeakPolarHBondContact CB-OE1 3.43Å; N82-E115 PolarHBondContact ND2-OE1 2.97Å; N82-E115 VanDerWaalsContact ND2-OE1 3.12Å; E115-C118 PolarHBondContact O-N 2.97Å; E115-E119 PolarHBondContact N-OE2 3.37Å; E115-E119 WeakPolarHBondContact O-CB 3.48Å; E115-E119 PolarHBondContact O-N 3.15Å
116M95.1Very high96Very high91 Ų9181 Ų8145%0.44841%0.406SS..THydrogen-bonded Turntrans-97.7141.3-179.4-51.3-57-74.500109.8F114 Y120 F123F114-M116 HydrophobicContact CB-SD 4.36Å; M116-Y120 HydrophobicContact CE-CD2 3.32Å; M116-Y120 HydrophobicContact CE-CE2 4.35Å; M116-Y120 HydrophobicContact CE-CG 3.92Å; M116-F123 HydrophobicContact CE-CD1 4.43Å; M116-F123 HydrophobicContact SD-CB 4.45Å
117P95.7Very high96Very high107 Ų10779.7 Ų79.770%0.69540%0.401SS*.THydrogen-bonded Turncis-85.4-8.9434.1-35.7000114.5E119 Y120P117-E119 VanDerWaalsContact C-N 3.32Å; P117-E119 PolarHBondContact O-N 2.67Å; P117-Y120 WeakPolarHBondContact O-CB 3.27Å; P117-Y120 PolarHBondContact O-N 3.13Å; P117-Y120 VanDerWaalsContact O-N 3.12Å
118C94.5Very high96Very high107 Ų10788.8 Ų88.872%0.72344%0.435SS*.THydrogen-bonded Turntrans-58.4-35.9-167.6-61.80000114.8E115E115-C118 PolarHBondContact O-N 2.97Å
119E96.6Very high96.1Very high46 Ų4690.9 Ų90.922%0.21544%0.439CS..THydrogen-bonded Turntrans-106.319.4-178.2-60.2-175.7127.500112.4K89 F114 E115 P117 H121 L122 F123K89-E119 IonicContact NZ-OE1 3.18Å; K89-E119 PolarHBondContact NZ-OE1 3.15Å; K89-E119 IonicContact NZ-OE2 3.25Å; K89-E119 PolarHBondContact NZ-OE2 3.08Å; F114-E119 VanDerWaalsContact CA-OE2 3.24Å; F114-E119 WeakPolarHBondContact CA-OE2 3.18Å; F114-E119 HydrophobicContact CB-CB 4.14Å; F114-E119 HydrophobicContact CD1-CB 4.13Å; E115-E119 PolarHBondContact N-OE2 3.37Å; E115-E119 WeakPolarHBondContact O-CB 3.48Å; E115-E119 PolarHBondContact O-N 3.15Å; P117-E119 VanDerWaalsContact C-N 3.32Å; P117-E119 PolarHBondContact O-N 2.67Å; E119-H121 PolarHBondContact O-N 3.46Å; E119-L122 HydrophobicContact CB-CB 4.5Å; E119-L122 HydrophobicContact CB-CD1 4.24Å; E119-L122 HydrophobicContact CG-CD1 4.25Å; E119-L122 PolarHBondContact O-N 2.93Å; E119-L122 VanDerWaalsContact O-N 3.16Å; E119-F123 PolarHBondContact O-N 2.94Å
120Y96.9Very high95.9Very high122 Ų12286.7 Ų86.748%0.47842%0.423SS..Hα-helixtrans-54-47.5-177.1173.6-91.9000112.9M116 P117 L122 F123 V124M116-Y120 HydrophobicContact CE-CD2 3.32Å; M116-Y120 HydrophobicContact CE-CE2 4.35Å; M116-Y120 HydrophobicContact CE-CG 3.92Å; P117-Y120 WeakPolarHBondContact O-CB 3.27Å; P117-Y120 PolarHBondContact O-N 3.13Å; P117-Y120 VanDerWaalsContact O-N 3.12Å; Y120-L122 VanDerWaalsContact C-N 3.34Å; Y120-L122 PolarHBondContact O-N 3.32Å; Y120-F123 WeakPolarHBondContact O-CB 3.48Å; Y120-F123 PolarHBondContact O-N 3.03Å; Y120-V124 HydrophobicContact CD1-CG2 4.11Å; Y120-V124 HydrophobicContact CE1-CG2 3.62Å; Y120-V124 HydrophobicContact CE2-CG2 4.05Å; Y120-V124 WeakPolarHBondContact O-CG2 3.49Å; Y120-V124 PolarHBondContact O-N 2.63Å
121H97.5Very high95.8Very high143 Ų14390.7 Ų90.766%0.66245%0.453SS*.Hα-helixtrans-64.4-39.2-179-66.5-62.5000112.4E119 F123 V124 E125E119-H121 PolarHBondContact O-N 3.46Å; H121-F123 VanDerWaalsContact C-N 3.33Å; H121-F123 PolarHBondContact O-N 2.63Å; H121-V124 PolarHBondContact O-N 2.78Å; H121-E125 WeakPolarHBondContact O-CG 3.45Å; H121-E125 PolarHBondContact O-N 3.32Å
122L96.6Very high95.6Very high88 Ų8890 Ų9046%0.46146%0.464SS..Hα-helixtrans-63.8-40.6175.5-62.7174.7000111.3F114 E119 Y120 E125 E126F114-L122 HydrophobicContact CD1-CB 4.02Å; F114-L122 HydrophobicContact CE1-CB 3.82Å; E119-L122 HydrophobicContact CB-CB 4.5Å; E119-L122 HydrophobicContact CB-CD1 4.24Å; E119-L122 HydrophobicContact CG-CD1 4.25Å; E119-L122 PolarHBondContact O-N 2.93Å; E119-L122 VanDerWaalsContact O-N 3.16Å; Y120-L122 VanDerWaalsContact C-N 3.34Å; Y120-L122 PolarHBondContact O-N 3.32Å; L122-E125 PolarHBondContact O-N 3.05Å; L122-E126 PolarHBondContact O-N 3.34Å
123F96.8Very high95.7Very high50 Ų5088.6 Ų88.622%0.21946%0.461CS..Hα-helixtrans-62.1-45.9174.1169.6-111.7000111.7F114 M116 E119 Y120 H121 E125 E126 F127 W135F114-F123 HydrophobicContact CB-CB 4.02Å; F114-F123 HydrophobicContact CD1-CB 4.25Å; F114-F123 HydrophobicContact CD2-CB 3.94Å; F114-F123 AromaticContact CD2-CD2 3.72Å; F114-F123 HydrophobicContact CD2-CD2 3.72Å; F114-F123 HydrophobicContact CD2-CG 4.29Å; F114-F123 HydrophobicContact CE2-CB 4.45Å; F114-F123 HydrophobicContact CE2-CD2 4.09Å; F114-F123 HydrophobicContact CG-CB 3.81Å; F114-F123 HydrophobicContact CG-CD2 4.41Å; M116-F123 HydrophobicContact CE-CD1 4.43Å; M116-F123 HydrophobicContact SD-CB 4.45Å; E119-F123 PolarHBondContact O-N 2.94Å; Y120-F123 WeakPolarHBondContact O-CB 3.48Å; Y120-F123 PolarHBondContact O-N 3.03Å; H121-F123 VanDerWaalsContact C-N 3.33Å; H121-F123 PolarHBondContact O-N 2.63Å; F123-E125 VanDerWaalsContact C-N 3.32Å; F123-E125 PolarHBondContact O-N 3.07Å; F123-E126 PolarHBondContact O-N 3.3Å; F123-F127 HydrophobicContact CE2-CB 4.39Å; F123-F127 HydrophobicContact CE2-CD2 4.46Å; F123-F127 HydrophobicContact CZ-CB 4.34Å; F123-F127 HydrophobicContact CZ-CD2 4.04Å; F123-F127 HydrophobicContact CZ-CG 4.48Å; F123-F127 VanDerWaalsContact O-CB 3.29Å; F123-F127 WeakPolarHBondContact O-CB 3.41Å; F123-F127 PolarHBondContact O-N 3.27Å; F123-W135 HydrophobicContact CD2-CE3 4.32Å; F123-W135 HydrophobicContact CD2-CZ3 4.4Å; F123-W135 HydrophobicContact CE2-CB 4.46Å; F123-W135 AromaticContact CE2-CD2 3.62Å; F123-W135 HydrophobicContact CE2-CD2 3.62Å; F123-W135 AromaticContact CE2-CE2 3.98Å; F123-W135 AromaticContact CE2-CE3 3.76Å; F123-W135 HydrophobicContact CE2-CE3 3.76Å; F123-W135 AromaticContact CE2-CG 3.93Å; F123-W135 HydrophobicContact CE2-CG 3.93Å; F123-W135 HydrophobicContact CE2-CZ2 4.44Å; F123-W135 HydrophobicContact CE2-CZ3 4.24Å; F123-W135 HydrophobicContact CZ-CD2 4.44Å; F123-W135 HydrophobicContact CZ-CG 4.3Å
124V96.4Very high95.7Very high25 Ų2592.4 Ų92.415%0.15248%0.484CS..Hα-helixtrans-60.4-41.6178.9170.30000111.7Y120 H121 R128Y120-V124 HydrophobicContact CD1-CG2 4.11Å; Y120-V124 HydrophobicContact CE1-CG2 3.62Å; Y120-V124 HydrophobicContact CE2-CG2 4.05Å; Y120-V124 WeakPolarHBondContact O-CG2 3.49Å; Y120-V124 PolarHBondContact O-N 2.63Å; H121-V124 PolarHBondContact O-N 2.78Å; V124-R128 VanDerWaalsContact O-CG 3.31Å; V124-R128 WeakPolarHBondContact O-CG 3.31Å; V124-R128 PolarHBondContact O-N 3.33Å; V124-R128 VanDerWaalsContact O-N 3.07Å
125E96.8Very high95.6Very high100 Ų10093.9 Ų93.947%0.46749%0.489SS..Hα-helixtrans-61.6-46.5174.8-73.1-179.9-167.400112.1H121 L122 F123 R128 K129H121-E125 WeakPolarHBondContact O-CG 3.45Å; H121-E125 PolarHBondContact O-N 3.32Å; L122-E125 PolarHBondContact O-N 3.05Å; F123-E125 VanDerWaalsContact C-N 3.32Å; F123-E125 PolarHBondContact O-N 3.07Å; E125-R128 PolarHBondContact O-N 2.86Å; E125-K129 VanDerWaalsContact O-CG 3.32Å; E125-K129 WeakPolarHBondContact O-CG 3.16Å; E125-K129 PolarHBondContact O-N 2.8Å; E125-K129 VanDerWaalsContact O-N 3.09Å
126E95.9Very high95.7Very high39 Ų3996.9 Ų96.918%0.18251%0.505CS..Hα-helixtrans-65.9-39.9179.5-170.770.4-151.100112K112 F114 L122 F123 R128 K129 N130 W135K112-E126 HydrophobicContact CD-CG 3.77Å; K112-E126 IonicContact NZ-OE1 3.55Å; K112-E126 PolarHBondContact NZ-OE1 2.91Å; K112-E126 IonicContact NZ-OE2 3.8Å; K112-E126 PolarHBondContact NZ-OE2 2.93Å; F114-E126 HydrophobicContact CE2-CB 4.08Å; F114-E126 HydrophobicContact CE2-CG 4.12Å; F114-E126 HydrophobicContact CZ-CB 3.73Å; F114-E126 HydrophobicContact CZ-CG 3.95Å; L122-E126 PolarHBondContact O-N 3.34Å; F123-E126 PolarHBondContact O-N 3.3Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 PolarHBondContact O-N 2.89Å; E126-K129 PolarHBondContact O-N 2.85Å; E126-N130 PolarHBondContact O-N 3.04Å; E126-N130 PolarHBondContact O-ND2 3.45Å; E126-N130 PolarHBondContact OE1-ND2 2.9Å; E126-W135 HydrophobicContact CG-CH2 3.81Å; E126-W135 HydrophobicContact CG-CZ2 4.04Å
127F95.8Very high95.8Very high109 Ų109101.1 Ų101.148%0.47853%0.526SS..Hα-helixtrans-60.6-43.7176.8-178.4-92.5000111.3F123 N130 W135F123-F127 HydrophobicContact CE2-CB 4.39Å; F123-F127 HydrophobicContact CE2-CD2 4.46Å; F123-F127 HydrophobicContact CZ-CB 4.34Å; F123-F127 HydrophobicContact CZ-CD2 4.04Å; F123-F127 HydrophobicContact CZ-CG 4.48Å; F123-F127 VanDerWaalsContact O-CB 3.29Å; F123-F127 WeakPolarHBondContact O-CB 3.41Å; F123-F127 PolarHBondContact O-N 3.27Å; F127-N130 PolarHBondContact O-N 3.21Å; F127-W135 AromaticContact CD2-CD1 3.66Å; F127-W135 AromaticContact CD2-NE1 3.58Å; F127-W135 AromaticContact CE2-CD1 3.92Å
128R95.6Very high95.7Very high193 Ų193102.5 Ų102.573%0.72852%0.521SS*.Hα-helixtrans-67.4-35.4177.1-72.4173179.7166.80.3113V124 E125 E126 N130V124-R128 VanDerWaalsContact O-CG 3.31Å; V124-R128 WeakPolarHBondContact O-CG 3.31Å; V124-R128 PolarHBondContact O-N 3.33Å; V124-R128 VanDerWaalsContact O-N 3.07Å; E125-R128 PolarHBondContact O-N 2.86Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 PolarHBondContact O-N 2.89Å; R128-N130 VanDerWaalsContact C-N 3.31Å
129K96.8Very high95.7Very high143 Ų143105.4 Ų105.462%0.62254%0.539SS*.Hα-helixtrans-70.2-26.8179.4-75.4171.2-175.7169.20113.2E125 E126 P131E125-K129 VanDerWaalsContact O-CG 3.32Å; E125-K129 WeakPolarHBondContact O-CG 3.16Å; E125-K129 PolarHBondContact O-N 2.8Å; E125-K129 VanDerWaalsContact O-N 3.09Å; E126-K129 PolarHBondContact O-N 2.85Å; K129-P131 WeakPolarHBondContact O-CD 3.5Å
130N93.9Very high95.6Very high54 Ų54108.4 Ų108.429%0.28956%0.555SS.*SBendtrans-12572.4-173.8-54.7-88.4000111.6E126 F127 R128 I133E126-N130 PolarHBondContact O-N 3.04Å; E126-N130 PolarHBondContact O-ND2 3.45Å; E126-N130 PolarHBondContact OE1-ND2 2.9Å; F127-N130 PolarHBondContact O-N 3.21Å; R128-N130 VanDerWaalsContact C-N 3.31Å; N130-I133 HydrophobicContact CB-CD1 3.5Å; N130-I133 VanDerWaalsContact CB-CD1 3.5Å; N130-I133 HydrophobicContact CB-CG1 3.99Å
131P93Very high95.6Very high116 Ų116107.7 Ų107.775%0.75356%0.559SS**THydrogen-bonded Turntrans-62.3140.1177.428-34.4000110.7K129K129-P131 WeakPolarHBondContact O-CD 3.5Å
132G92.1Very high95.5Very high84 Ų84105.7 Ų105.787%0.86655%0.553SS**THydrogen-bonded Turntrans89.8-5.7177.400000115.8
133I95.3Very high95.4Very high89 Ų89106.8 Ų106.846%0.45656%0.559SS.*  trans-76.8134.9172.3-61.6-170.5000110.5N130 W135N130-I133 HydrophobicContact CB-CD1 3.5Å; N130-I133 VanDerWaalsContact CB-CD1 3.5Å; N130-I133 HydrophobicContact CB-CG1 3.99Å; I133-W135 HydrophobicContact CG2-CZ2 4.48Å; I133-W135 VanDerWaalsContact O-CD1 3.28Å
134T96.1Very high95.3Very high127 Ų127110.3 Ų110.378%0.77958%0.58SS**  trans-84.6133.3172.3-58.30000111
135W95.9Very high95.3Very high71 Ų71116 Ų11627%0.26961%0.609SS.*  trans-114.2145.7179.3-63.787.1000110.7K112 F114 F123 E126 F127 I133K112-W135 HydrophobicContact CD-CH2 4.43Å; F114-W135 HydrophobicContact CD2-CZ3 4.16Å; F114-W135 AromaticContact CE2-CH2 3.91Å; F114-W135 HydrophobicContact CE2-CH2 3.91Å; F114-W135 AromaticContact CE2-CZ3 3.88Å; F114-W135 HydrophobicContact CE2-CZ3 3.88Å; F123-W135 HydrophobicContact CD2-CE3 4.32Å; F123-W135 HydrophobicContact CD2-CZ3 4.4Å; F123-W135 HydrophobicContact CE2-CB 4.46Å; F123-W135 AromaticContact CE2-CD2 3.62Å; F123-W135 HydrophobicContact CE2-CD2 3.62Å; F123-W135 AromaticContact CE2-CE2 3.98Å; F123-W135 AromaticContact CE2-CE3 3.76Å; F123-W135 HydrophobicContact CE2-CE3 3.76Å; F123-W135 AromaticContact CE2-CG 3.93Å; F123-W135 HydrophobicContact CE2-CG 3.93Å; F123-W135 HydrophobicContact CE2-CZ2 4.44Å; F123-W135 HydrophobicContact CE2-CZ3 4.24Å; F123-W135 HydrophobicContact CZ-CD2 4.44Å; F123-W135 HydrophobicContact CZ-CG 4.3Å; E126-W135 HydrophobicContact CG-CH2 3.81Å; E126-W135 HydrophobicContact CG-CZ2 4.04Å; F127-W135 AromaticContact CD2-CD1 3.66Å; F127-W135 AromaticContact CD2-NE1 3.58Å; F127-W135 AromaticContact CE2-CD1 3.92Å; I133-W135 HydrophobicContact CG2-CZ2 4.48Å; I133-W135 VanDerWaalsContact O-CD1 3.28Å
136I97.3Very high95.1Very high131 Ų131117.1 Ų117.167%0.67262%0.619SS**  trans-118.2116.5-180-57173.3000109K138I136-K138 HydrophobicContact CG2-CD 3.98Å; I136-K138 HydrophobicContact CG2-CG 4.33Å
137M95.9Very high95.1Very high179 Ų179123.2 Ų123.288%0.88265%0.652SS**  trans-79.9136169.5-170.4-169.2-67.800109.5
138K95.1Very high95Very high137 Ų137124.3 Ų124.360%0.59667%0.667SS**  trans-125.8145.7174.3-65-59.6-173.7-164.50109.3K81 I136K81-K138 HydrophobicContact CD-CB 4.1Å; I136-K138 HydrophobicContact CG2-CD 3.98Å; I136-K138 HydrophobicContact CG2-CG 4.33Å
139P93.4Very high95Very high168 Ų168118.1 Ų118.1100%1.09166%0.661SS**  trans-68.60167.333-35.6000110.4K81K81-P139 PolarHBondContact NZ-O 2.91Å

Retrieved 139 of 139 residues in 111.5 ms (Link to these results)

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