A0A077Z6E2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6E2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 81 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
1M31.7Very low47Very low241 Ų241116.9 Ų116.9100%1.18763%0.628SS**  0114.10-64.1-178-177.700107N3M1-N3 PolarHBondContact O-N 2.81Å
2S39.9Very low47.5Very low122 Ų122112.3 Ų112.385%0.85360%0.596SS**  trans-66.9127.9-170.3-145.30000109.7Q4S2-Q4 PolarHBondContact O-N 3.04Å
3N43.5Very low47.4Very low157 Ų157104.8 Ų104.884%0.8456%0.555SS**  trans-45111.4169.5-74.6-57.9000107.8M1 G5M1-N3 PolarHBondContact O-N 2.81Å; N3-G5 PolarHBondContact O-N 2.84Å
4Q42.7Very low47.8Very low192 Ų192111.9 Ų111.990%0.89757%0.57SS**  trans-62.389164.6-79.8-175-13.700105.7S2 Q6S2-Q4 PolarHBondContact O-N 3.04Å; Q4-Q6 PolarHBondContact O-N 2.92Å
5G54.5Low47.8Very low62 Ų62111.1 Ų111.164%0.63958%0.58SS**PPolyproline II helixtrans-53.1119.5172.100000106N3 P7N3-G5 PolarHBondContact O-N 2.84Å; G5-P7 VanDerWaalsContact O-N 3.11Å
6Q43.1Very low47.8Very low125 Ų125110.1 Ų110.158%0.58457%0.566SS**PPolyproline II helixtrans-50.9126.6177.8-74-148.864.500107.6Q4 S8 L77Q4-Q6 PolarHBondContact O-N 2.92Å; Q6-S8 PolarHBondContact O-N 3.16Å; Q6-L77 PolarHBondContact NE2-O 3.25Å
7P53.2Low47.9Very low52 Ų52112.9 Ų112.934%0.33858%0.576SS.*PPolyproline II helixtrans-53.1129.6178.320.2-33.1000109G5 Q11 Y12 L77G5-P7 VanDerWaalsContact O-N 3.11Å; P7-Q11 HydrophobicContact CB-CB 3.96Å; P7-Y12 HydrophobicContact CB-CD2 4.14Å; P7-Y12 HydrophobicContact CG-CD2 3.57Å; P7-Y12 HydrophobicContact CG-CE2 3.87Å; P7-L77 WeakPolarHBondContact O-CD1 3.34Å
8S52.7Low48.3Very low54 Ų54111.9 Ų111.938%0.37857%0.565SS.*PPolyproline II helixtrans-54149.8171.458.60000109.5Q6 R10 Q11 Y12Q6-S8 PolarHBondContact O-N 3.16Å; S8-R10 PolarHBondContact O-N 3.48Å; S8-Q11 WeakPolarHBondContact O-CA 3.47Å; S8-Q11 WeakPolarHBondContact O-CB 3.49Å; S8-Q11 PolarHBondContact O-N 3.23Å; S8-Q11 WeakPolarHBondContact OG-CG 3.14Å; S8-Q11 PolarHBondContact OG-N 2.64Å; S8-Q11 PolarHBondContact OG-OE1 3.42Å; S8-Y12 PolarHBondContact O-N 3.29Å
9A51.4Low48.6Very low6 Ų6108.7 Ų108.75%0.0555%0.552CS.*Hα-helixtrans-45.4-40174.500000111.4Y12 M13 E69 N73A9-Y12 CarbonylContact O-C 3.53Å; A9-Y12 VanDerWaalsContact O-CB 3.3Å; A9-Y12 WeakPolarHBondContact O-CB 3.2Å; A9-Y12 PolarHBondContact O-N 3.08Å; A9-M13 WeakPolarHBondContact O-CB 3.36Å; A9-M13 WeakPolarHBondContact O-CG 2.99Å; A9-M13 PolarHBondContact O-N 3.4Å; A9-E69 HydrophobicContact CB-CB 3.94Å; A9-E69 HydrophobicContact CB-CG 3.95Å; A9-N73 WeakPolarHBondContact CB-OD1 3.2Å
10R53.4Low49.2Very low163 Ų163107.2 Ų107.262%0.61556%0.556SS**Hα-helixtrans-61.6-42176-170.6178.3-69.8-173.8-0.9113.9S8 M13 R14S8-R10 PolarHBondContact O-N 3.48Å; R10-M13 WeakPolarHBondContact O-CB 3.24Å; R10-M13 PolarHBondContact O-N 3.4Å; R10-R14 PolarHBondContact O-N 2.03Å; R10-R14 VanDerWaalsContact O-N 3.13Å
11Q51Low49.5Very low112 Ų112103 Ų10352%0.52354%0.535SS..Hα-helixtrans-67.8-39.2173.5-74.6167.2-62.300111.4P7 S8 R14 S15P7-Q11 HydrophobicContact CB-CB 3.96Å; S8-Q11 WeakPolarHBondContact O-CA 3.47Å; S8-Q11 WeakPolarHBondContact O-CB 3.49Å; S8-Q11 PolarHBondContact O-N 3.23Å; S8-Q11 WeakPolarHBondContact OG-CG 3.14Å; S8-Q11 PolarHBondContact OG-N 2.64Å; S8-Q11 PolarHBondContact OG-OE1 3.42Å; Q11-R14 PolarHBondContact O-N 3.27Å; Q11-S15 PolarHBondContact O-OG 2.93Å
12Y52.5Low50.6Low62 Ų6294.6 Ų94.624%0.24350%0.499CS..Hα-helixtrans-57.2-55.9170.6-131.8-96.6000109.2P7 S8 A9 R14 S15 Y16 Y36 L77P7-Y12 HydrophobicContact CB-CD2 4.14Å; P7-Y12 HydrophobicContact CG-CD2 3.57Å; P7-Y12 HydrophobicContact CG-CE2 3.87Å; S8-Y12 PolarHBondContact O-N 3.29Å; A9-Y12 CarbonylContact O-C 3.53Å; A9-Y12 VanDerWaalsContact O-CB 3.3Å; A9-Y12 WeakPolarHBondContact O-CB 3.2Å; A9-Y12 PolarHBondContact O-N 3.08Å; Y12-R14 VanDerWaalsContact C-N 3.28Å; Y12-R14 PolarHBondContact O-N 2.85Å; Y12-R14 VanDerWaalsContact O-N 3.14Å; Y12-S15 PolarHBondContact O-N 2.9Å; Y12-Y16 AromaticContact CD1-CD2 3.53Å; Y12-Y16 HydrophobicContact CD1-CD2 3.53Å; Y12-Y16 AromaticContact CD1-CE2 3.02Å; Y12-Y16 HydrophobicContact CD1-CE2 3.02Å; Y12-Y16 AromaticContact CD1-CZ 3.83Å; Y12-Y16 HydrophobicContact CD2-CE2 4.46Å; Y12-Y16 AromaticContact CE1-CD2 3.95Å; Y12-Y16 HydrophobicContact CE1-CD2 3.95Å; Y12-Y16 HydrophobicContact CE1-CE1 4.4Å; Y12-Y16 AromaticContact CE1-CE2 3.06Å; Y12-Y16 HydrophobicContact CE1-CE2 3.06Å; Y12-Y16 AromaticContact CE1-CZ 3.33Å; Y12-Y16 WeakPolarHBondContact CE1-OH 3.37Å; Y12-Y16 HydrophobicContact CE2-CE2 4.48Å; Y12-Y16 HydrophobicContact CG-CD2 4.33Å; Y12-Y16 AromaticContact CG-CE2 3.81Å; Y12-Y16 HydrophobicContact CG-CE2 3.81Å; Y12-Y16 AromaticContact CZ-CE2 3.84Å; Y12-Y16 AromaticContact CZ-CZ 3.94Å; Y12-Y16 WeakPolarHBondContact O-CD2 3.03Å; Y12-Y16 PolarHBondContact O-N 3.29Å; Y12-Y16 PolarHBondContact OH-OH 3.3Å; Y12-Y36 AromaticContact CD1-CE1 3.97Å; Y12-Y36 HydrophobicContact CD1-CE1 3.97Å; Y12-Y36 AromaticContact CD1-CZ 3.76Å; Y12-Y36 WeakPolarHBondContact CD1-OH 3.36Å; Y12-Y36 AromaticContact CE1-CE1 3.82Å; Y12-Y36 HydrophobicContact CE1-CE1 3.82Å; Y12-Y36 AromaticContact CE1-CZ 3.93Å; Y12-Y36 WeakPolarHBondContact CE1-OH 3.41Å; Y12-L77 HydrophobicContact CD2-CD2 4.44Å; Y12-L77 HydrophobicContact CE2-CD2 4.12Å
13M46.2Very low51.4Low15 Ų1590.1 Ų90.17%0.07447%0.465CS..Hα-helixtrans-49.4-43.6-179.2-75.1-177168.300113.2A9 R10 S15 Y16 Y18 P35 V68 E69 L72A9-M13 WeakPolarHBondContact O-CB 3.36Å; A9-M13 WeakPolarHBondContact O-CG 2.99Å; A9-M13 PolarHBondContact O-N 3.4Å; R10-M13 WeakPolarHBondContact O-CB 3.24Å; R10-M13 PolarHBondContact O-N 3.4Å; M13-S15 PolarHBondContact O-N 3.5Å; M13-Y16 PolarHBondContact O-N 2.91Å; M13-Y18 HydrophobicContact CB-CE1 3.81Å; M13-Y18 WeakPolarHBondContact CB-OH 3.36Å; M13-Y18 HydrophobicContact CG-CE1 4.26Å; M13-Y18 VanDerWaalsContact O-CE2 3.25Å; M13-Y18 WeakPolarHBondContact O-CE2 3.42Å; M13-Y18 PolarHBondContact O-OH 2.98Å; M13-Y18 VanDerWaalsContact O-OH 3.07Å; M13-P35 HydrophobicContact CB-CB 4Å; M13-P35 HydrophobicContact CE-CG 3.88Å; M13-P35 HydrophobicContact CG-CB 3.55Å; M13-P35 HydrophobicContact CG-CG 3.66Å; M13-V68 HydrophobicContact CE-CG1 4.35Å; M13-E69 HydrophobicContact CE-CB 4.45Å; M13-E69 HydrophobicContact CE-CG 3.29Å; M13-E69 HydrophobicContact SD-CG 3.97Å; M13-L72 HydrophobicContact CE-CD1 4.07Å
14R52.9Low51.9Low203 Ų20392.1 Ų92.177%0.76646%0.461SS*.Hα-helixtrans-60.5-31.6178.6-80.2-172.6178.9-175.70.3113.6R10 Q11 Y12 Y18R10-R14 PolarHBondContact O-N 2.03Å; R10-R14 VanDerWaalsContact O-N 3.13Å; Q11-R14 PolarHBondContact O-N 3.27Å; Y12-R14 VanDerWaalsContact C-N 3.28Å; Y12-R14 PolarHBondContact O-N 2.85Å; Y12-R14 VanDerWaalsContact O-N 3.14Å; R14-Y18 PolarHBondContact N-OH 2.88Å
15S48.8Very low52.5Low101 Ų10186.7 Ų86.771%0.70643%0.432SS*.Hα-helixtrans-88.9-13-174.6-580000114.1Q11 Y12 M13Q11-S15 PolarHBondContact O-OG 2.93Å; Y12-S15 PolarHBondContact O-N 2.9Å; M13-S15 PolarHBondContact O-N 3.5Å
16Y47Very low53.1Low94 Ų9493.6 Ų93.637%0.36945%0.445SS..SBendtrans-109.1144.4-179-67.5-90.8000111.8Y12 M13 Y18 P35 Y36Y12-Y16 AromaticContact CD1-CD2 3.53Å; Y12-Y16 HydrophobicContact CD1-CD2 3.53Å; Y12-Y16 AromaticContact CD1-CE2 3.02Å; Y12-Y16 HydrophobicContact CD1-CE2 3.02Å; Y12-Y16 AromaticContact CD1-CZ 3.83Å; Y12-Y16 HydrophobicContact CD2-CE2 4.46Å; Y12-Y16 AromaticContact CE1-CD2 3.95Å; Y12-Y16 HydrophobicContact CE1-CD2 3.95Å; Y12-Y16 HydrophobicContact CE1-CE1 4.4Å; Y12-Y16 AromaticContact CE1-CE2 3.06Å; Y12-Y16 HydrophobicContact CE1-CE2 3.06Å; Y12-Y16 AromaticContact CE1-CZ 3.33Å; Y12-Y16 WeakPolarHBondContact CE1-OH 3.37Å; Y12-Y16 HydrophobicContact CE2-CE2 4.48Å; Y12-Y16 HydrophobicContact CG-CD2 4.33Å; Y12-Y16 AromaticContact CG-CE2 3.81Å; Y12-Y16 HydrophobicContact CG-CE2 3.81Å; Y12-Y16 AromaticContact CZ-CE2 3.84Å; Y12-Y16 AromaticContact CZ-CZ 3.94Å; Y12-Y16 WeakPolarHBondContact O-CD2 3.03Å; Y12-Y16 PolarHBondContact O-N 3.29Å; Y12-Y16 PolarHBondContact OH-OH 3.3Å; M13-Y16 PolarHBondContact O-N 2.91Å; Y16-Y18 PolarHBondContact O-N 2.81Å; Y16-P35 WeakPolarHBondContact CB-O 3.16Å; Y16-Y36 HydrophobicContact CD1-CD1 4.37Å; Y16-Y36 HydrophobicContact CD1-CE1 4.44Å; Y16-Y36 HydrophobicContact CD2-CE1 4.43Å; Y16-Y36 HydrophobicContact CE1-CE1 4.47Å; Y16-Y36 HydrophobicContact CG-CE1 4.44Å
17Q50.7Low54.4Low158 Ų15892.3 Ų92.374%0.73846%0.455SS*.PPolyproline II helixtrans-58.8120.3170.1-69.2178.8-10.200109.5A37Q17-A37 HydrophobicContact CB-CB 3.69Å; Q17-A37 WeakPolarHBondContact O-CB 3.45Å; Q17-A37 PolarHBondContact O-N 2.91Å
18Y55Low54.4Low95 Ų9594.3 Ų94.337%0.37347%0.466SS..PPolyproline II helixtrans-77.4129.8175.5-61.3-93.9000110.1M13 R14 Y16 R33 W34 P35M13-Y18 HydrophobicContact CB-CE1 3.81Å; M13-Y18 WeakPolarHBondContact CB-OH 3.36Å; M13-Y18 HydrophobicContact CG-CE1 4.26Å; M13-Y18 VanDerWaalsContact O-CE2 3.25Å; M13-Y18 WeakPolarHBondContact O-CE2 3.42Å; M13-Y18 PolarHBondContact O-OH 2.98Å; M13-Y18 VanDerWaalsContact O-OH 3.07Å; R14-Y18 PolarHBondContact N-OH 2.88Å; Y16-Y18 PolarHBondContact O-N 2.81Å; Y18-R33 HydrophobicContact CD1-CB 3.68Å; Y18-R33 HydrophobicContact CE1-CB 4.44Å; Y18-R33 HydrophobicContact CG-CB 4.1Å; Y18-W34 CarbonylContact C-O 3.56Å; Y18-W34 VanDerWaalsContact CA-O 3.31Å; Y18-W34 WeakPolarHBondContact CA-O 3.22Å; Y18-P35 HydrophobicContact CD1-CB 3.99Å; Y18-P35 HydrophobicContact CE1-CB 3.99Å
19T54.3Low54.8Low52 Ų5296.3 Ų96.332%0.31948%0.476SS..EExtended strand (participates in β ladder)trans-98.8135.5161.7480000109.5M21 W34 Y36 A37T19-M21 PolarHBondContact O-N 3.23Å; T19-W34 PolarHBondContact N-O 2.88Å; T19-W34 WeakPolarHBondContact O-CA 3.47Å; T19-W34 WeakPolarHBondContact O-CB 3.27Å; T19-W34 PolarHBondContact O-N 3.28Å; T19-Y36 PolarHBondContact OG1-O 2.83Å; T19-A37 HydrophobicContact CG2-CB 3.75Å
20A58.9Low55.2Low77 Ų7797.7 Ų97.764%0.63649%0.491SS*.EExtended strand (participates in β ladder)trans-66.3120168.200000108.9F32A20-F32 CarbonylContact C-O 3.54Å; A20-F32 WeakPolarHBondContact CA-O 3.15Å
21M56.6Low55.2Low21 Ų2193.8 Ų93.810%0.10349%0.488CS..EExtended strand (participates in β ladder)trans-103.9119.1166.9-176.6-176.1-48.900108.1T19 C31 F32 W34 N47T19-M21 PolarHBondContact O-N 3.23Å; M21-C31 WeakPolarHBondContact O-CA 3.34Å; M21-F32 HydrophobicContact CB-CD2 4.05Å; M21-F32 HydrophobicContact CB-CE2 3.53Å; M21-F32 HydrophobicContact CB-CZ 3.77Å; M21-F32 HydrophobicContact CE-CE2 4.4Å; M21-F32 HydrophobicContact CG-CE1 4.43Å; M21-F32 HydrophobicContact CG-CE2 3.81Å; M21-F32 HydrophobicContact CG-CZ 3.61Å; M21-F32 PolarHBondContact N-O 3.48Å; M21-F32 WeakPolarHBondContact O-CD1 3.39Å; M21-F32 VanDerWaalsContact O-CE1 3.22Å; M21-F32 WeakPolarHBondContact O-CE1 3.49Å; M21-F32 WeakPolarHBondContact O-CG 3.37Å; M21-F32 PolarHBondContact O-N 2.84Å; M21-F32 HydrophobicContact SD-CE2 3.66Å; M21-F32 HydrophobicContact SD-CZ 3.53Å; M21-F32 VanDerWaalsContact SD-CZ 3.53Å; M21-W34 HydrophobicContact CB-CB 4.06Å; M21-W34 HydrophobicContact CE-CB 4.05Å; M21-W34 HydrophobicContact CE-CD2 3.57Å; M21-W34 HydrophobicContact CE-CE3 3.73Å; M21-W34 HydrophobicContact CE-CG 3.7Å; M21-W34 HydrophobicContact CE-CZ3 4.35Å; M21-N47 HydrophobicContact CE-CB 4.27Å; M21-N47 VanDerWaalsContact CE-ND2 3.31Å; M21-N47 WeakPolarHBondContact CE-ND2 2.97Å; M21-N47 VanDerWaalsContact CE-OD1 3.31Å; M21-N47 WeakPolarHBondContact CE-OD1 3.47Å
22C55Low55.6Low64 Ų6489.8 Ų89.843%0.43247%0.469SS..EExtended strand (participates in β ladder)trans-96.2127.4175.4-56.90000109.8V29 G30 C31C22-V29 HydrophobicContact CB-CG1 3.72Å; C22-G30 CarbonylContact C-O 3.59Å; C22-G30 WeakPolarHBondContact CA-O 3.37Å; C22-C31 HydrophobicContact CB-CB 4.15Å; C22-C31 WeakPolarHBondContact CB-SG 3.4Å; C22-C31 WeakPolarHBondContact SG-CB 3.38Å; C22-C31 CovalentContact SG-SG 2.05Å; C22-C31 PolarHBondContact SG-SG 3.3Å
23I56.5Low55.5Low28 Ų2896 Ų9614%0.14449%0.492CS..EExtended strand (participates in β ladder)trans-111.6124.4170.4-69.8177.4000108.3R25 G30 F32 F50I23-R25 HydrophobicContact CG2-CG 4.19Å; I23-G30 PolarHBondContact N-O 3.47Å; I23-G30 PolarHBondContact O-N 2.87Å; I23-F32 HydrophobicContact CB-CE1 3.97Å; I23-F32 HydrophobicContact CD1-CE1 3.44Å; I23-F32 VanDerWaalsContact CD1-CE1 3.44Å; I23-F32 HydrophobicContact CD1-CZ 3.35Å; I23-F32 HydrophobicContact CG1-CE1 3.5Å; I23-F32 HydrophobicContact CG1-CZ 3.65Å; I23-F50 HydrophobicContact CD1-CD1 3.74Å; I23-F50 HydrophobicContact CD1-CE1 3.35Å
24R53.3Low56Low199 Ų19995.3 Ų95.375%0.75149%0.489SS*.EExtended strand (participates in β ladder)trans-75.5126.2168.2-169.7173.4-176158.51.1109.3T28 V29R24-T28 CarbonylContact C-O 3.58Å; R24-V29 HydrophobicContact CB-CG2 4.5Å; R24-V29 HydrophobicContact CG-CG2 4.39Å
25R55.2Low55.8Low78 Ų7885.7 Ų85.729%0.29445%0.452SS..EExtended strand (participates in β ladder)trans-121106172.5-69.6-168177.4178.61.1108.9I23 A27 T28 K59I23-R25 HydrophobicContact CG2-CG 4.19Å; R25-A27 PolarHBondContact O-N 2.9Å; R25-T28 PolarHBondContact N-O 3.35Å; R25-T28 PolarHBondContact O-N 3.2Å; R25-T28 PolarHBondContact O-OG1 3.36Å; R25-K59 PolarHBondContact NH1-O 3.02Å
26K66.5Low56Low207 Ų20782.3 Ų82.390%0.942%0.424SS*.THydrogen-bonded Turntrans49-107.9-176.1-60-177.1175.6-173.60110.1
27A72Confident56.2Low98 Ų9879.5 Ų79.581%0.8142%0.42SS*.THydrogen-bonded Turntrans-93.7-5.5-179.600000115.4R25R25-A27 PolarHBondContact O-N 2.9Å
28T53.4Low56.4Low93 Ų9374.1 Ų74.157%0.57141%0.408SS*.EExtended strand (participates in β ladder)trans-115142.8-177.455.90000112.5R24 R25R24-T28 CarbonylContact C-O 3.58Å; R25-T28 PolarHBondContact N-O 3.35Å; R25-T28 PolarHBondContact O-N 3.2Å; R25-T28 PolarHBondContact O-OG1 3.36Å
29V60Low56.5Low96 Ų9675.8 Ų75.858%0.58242%0.423SS*.EExtended strand (participates in β ladder)trans-102.8115.7170.4178.90000107.9C22 R24C22-V29 HydrophobicContact CB-CG1 3.72Å; R24-V29 HydrophobicContact CB-CG2 4.5Å; R24-V29 HydrophobicContact CG-CG2 4.39Å
30G60.5Low56.9Low36 Ų3676.3 Ų76.337%0.37143%0.429SS..EExtended strand (participates in β ladder)trans-99.4114.4171.700000109.9C22 I23C22-G30 CarbonylContact C-O 3.59Å; C22-G30 WeakPolarHBondContact CA-O 3.37Å; I23-G30 PolarHBondContact N-O 3.47Å; I23-G30 PolarHBondContact O-N 2.87Å
31C52.8Low57.4Low80 Ų8079.7 Ų79.754%0.54144%0.436SS..EExtended strand (participates in β ladder)trans-95.1134.3172.5-58.40000110.4M21 C22M21-C31 WeakPolarHBondContact O-CA 3.34Å; C22-C31 HydrophobicContact CB-CB 4.15Å; C22-C31 WeakPolarHBondContact CB-SG 3.4Å; C22-C31 WeakPolarHBondContact SG-CB 3.38Å; C22-C31 CovalentContact SG-SG 2.05Å; C22-C31 PolarHBondContact SG-SG 3.3Å
32F58.7Low57.5Low28 Ų2886.4 Ų86.412%0.12346%0.46CS..EExtended strand (participates in β ladder)trans-133.1148.7177.847.7-87000110.6A20 M21 I23 W34 F50 L64 V68A20-F32 CarbonylContact C-O 3.54Å; A20-F32 WeakPolarHBondContact CA-O 3.15Å; M21-F32 HydrophobicContact CB-CD2 4.05Å; M21-F32 HydrophobicContact CB-CE2 3.53Å; M21-F32 HydrophobicContact CB-CZ 3.77Å; M21-F32 HydrophobicContact CE-CE2 4.4Å; M21-F32 HydrophobicContact CG-CE1 4.43Å; M21-F32 HydrophobicContact CG-CE2 3.81Å; M21-F32 HydrophobicContact CG-CZ 3.61Å; M21-F32 PolarHBondContact N-O 3.48Å; M21-F32 WeakPolarHBondContact O-CD1 3.39Å; M21-F32 VanDerWaalsContact O-CE1 3.22Å; M21-F32 WeakPolarHBondContact O-CE1 3.49Å; M21-F32 WeakPolarHBondContact O-CG 3.37Å; M21-F32 PolarHBondContact O-N 2.84Å; M21-F32 HydrophobicContact SD-CE2 3.66Å; M21-F32 HydrophobicContact SD-CZ 3.53Å; M21-F32 VanDerWaalsContact SD-CZ 3.53Å; I23-F32 HydrophobicContact CB-CE1 3.97Å; I23-F32 HydrophobicContact CD1-CE1 3.44Å; I23-F32 VanDerWaalsContact CD1-CE1 3.44Å; I23-F32 HydrophobicContact CD1-CZ 3.35Å; I23-F32 HydrophobicContact CG1-CE1 3.5Å; I23-F32 HydrophobicContact CG1-CZ 3.65Å; F32-W34 AromaticContact CE2-CE3 3.96Å; F32-W34 HydrophobicContact CE2-CE3 3.96Å; F32-W34 PolarHBondContact O-N 2.91Å; F32-W34 VanDerWaalsContact O-N 3.1Å; F32-F50 HydrophobicContact CZ-CE1 4.16Å; F32-L64 HydrophobicContact CD1-CD2 3.53Å; F32-L64 HydrophobicContact CE1-CD2 3.61Å; F32-L64 HydrophobicContact CG-CD2 4.26Å; F32-L64 HydrophobicContact CZ-CD2 4.39Å; F32-V68 HydrophobicContact CD2-CG2 4.39Å; F32-V68 HydrophobicContact CE2-CG2 4.32Å
33R51.9Low57.6Low192 Ų19284.1 Ų84.173%0.72544%0.442SS*.EExtended strand (participates in β ladder)trans-73.2103.6175.3-70.6-173.9176.8-173.2-0.9108.8Y18Y18-R33 HydrophobicContact CD1-CB 3.68Å; Y18-R33 HydrophobicContact CE1-CB 4.44Å; Y18-R33 HydrophobicContact CG-CB 4.1Å
34W56.1Low58.1Low2 Ų288.6 Ų88.61%0.00846%0.461CS..EExtended strand (participates in β ladder)trans-84121.5169.5-174.6-93.4000108.3Y18 T19 M21 F32 Y36 K43 N47 F50 V68 L72Y18-W34 CarbonylContact C-O 3.56Å; Y18-W34 VanDerWaalsContact CA-O 3.31Å; Y18-W34 WeakPolarHBondContact CA-O 3.22Å; T19-W34 PolarHBondContact N-O 2.88Å; T19-W34 WeakPolarHBondContact O-CA 3.47Å; T19-W34 WeakPolarHBondContact O-CB 3.27Å; T19-W34 PolarHBondContact O-N 3.28Å; M21-W34 HydrophobicContact CB-CB 4.06Å; M21-W34 HydrophobicContact CE-CB 4.05Å; M21-W34 HydrophobicContact CE-CD2 3.57Å; M21-W34 HydrophobicContact CE-CE3 3.73Å; M21-W34 HydrophobicContact CE-CG 3.7Å; M21-W34 HydrophobicContact CE-CZ3 4.35Å; F32-W34 AromaticContact CE2-CE3 3.96Å; F32-W34 HydrophobicContact CE2-CE3 3.96Å; F32-W34 PolarHBondContact O-N 2.91Å; F32-W34 VanDerWaalsContact O-N 3.1Å; W34-Y36 AromaticContact NE1-CD2 3.59Å; W34-Y36 PolarHBondContact O-N 3.47Å; W34-K43 VanDerWaalsContact CD1-CE 3.41Å; W34-K43 VanDerWaalsContact NE1-CE 3.29Å; W34-N47 VanDerWaalsContact CH2-OD1 3.31Å; W34-N47 WeakPolarHBondContact CH2-OD1 3.29Å; W34-N47 WeakPolarHBondContact CZ2-OD1 3.32Å; W34-F50 HydrophobicContact CZ3-CD2 4.33Å; W34-V68 HydrophobicContact CD2-CG1 4.43Å; W34-V68 HydrophobicContact CE3-CB 4.48Å; W34-V68 HydrophobicContact CE3-CG1 3.55Å; W34-V68 HydrophobicContact CE3-CG2 4.05Å; W34-V68 HydrophobicContact CH2-CG1 4.13Å; W34-V68 HydrophobicContact CZ3-CB 4.16Å; W34-V68 HydrophobicContact CZ3-CG1 3.41Å; W34-V68 VanDerWaalsContact CZ3-CG1 3.41Å; W34-V68 HydrophobicContact CZ3-CG2 3.79Å; W34-L72 HydrophobicContact CH2-CD2 3.89Å; W34-L72 HydrophobicContact CH2-CG 4.38Å; W34-L72 HydrophobicContact CZ2-CD2 3.55Å; W34-L72 HydrophobicContact CZ2-CG 4.41Å
35P48.7Very low58.8Low0 Ų088.7 Ų88.70%046%0.461CS..SBendtrans-70.2-5-17027.5-36.3000115.4M13 Y16 Y18 L72M13-P35 HydrophobicContact CB-CB 4Å; M13-P35 HydrophobicContact CE-CG 3.88Å; M13-P35 HydrophobicContact CG-CB 3.55Å; M13-P35 HydrophobicContact CG-CG 3.66Å; Y16-P35 WeakPolarHBondContact CB-O 3.16Å; Y18-P35 HydrophobicContact CD1-CB 3.99Å; Y18-P35 HydrophobicContact CE1-CB 3.99Å; P35-L72 HydrophobicContact CG-CD1 3.43Å; P35-L72 VanDerWaalsContact CG-CD1 3.43Å
36Y53.6Low59Low30 Ų3085.7 Ų85.712%0.11845%0.452CS..  trans-105.5114.4177.9-60.7-83.9000109.4Y12 Y16 T19 W34 G38 K43 L72 L76Y12-Y36 AromaticContact CD1-CE1 3.97Å; Y12-Y36 HydrophobicContact CD1-CE1 3.97Å; Y12-Y36 AromaticContact CD1-CZ 3.76Å; Y12-Y36 WeakPolarHBondContact CD1-OH 3.36Å; Y12-Y36 AromaticContact CE1-CE1 3.82Å; Y12-Y36 HydrophobicContact CE1-CE1 3.82Å; Y12-Y36 AromaticContact CE1-CZ 3.93Å; Y12-Y36 WeakPolarHBondContact CE1-OH 3.41Å; Y16-Y36 HydrophobicContact CD1-CD1 4.37Å; Y16-Y36 HydrophobicContact CD1-CE1 4.44Å; Y16-Y36 HydrophobicContact CD2-CE1 4.43Å; Y16-Y36 HydrophobicContact CE1-CE1 4.47Å; Y16-Y36 HydrophobicContact CG-CE1 4.44Å; T19-Y36 PolarHBondContact OG1-O 2.83Å; W34-Y36 AromaticContact NE1-CD2 3.59Å; W34-Y36 PolarHBondContact O-N 3.47Å; Y36-G38 VanDerWaalsContact C-N 3.33Å; Y36-K43 WeakPolarHBondContact O-CE 3.33Å; Y36-K43 PolarHBondContact O-NZ 3.38Å; Y36-L72 HydrophobicContact CD2-CD1 4.4Å; Y36-L72 HydrophobicContact CD2-CD2 3.86Å; Y36-L72 HydrophobicContact CE2-CD1 3.76Å; Y36-L72 HydrophobicContact CE2-CD2 3.37Å; Y36-L72 HydrophobicContact CE2-CG 4.08Å; Y36-L76 HydrophobicContact CD2-CD1 4.31Å; Y36-L76 HydrophobicContact CE1-CD1 3.85Å; Y36-L76 HydrophobicContact CE2-CD1 3.44Å; Y36-L76 VanDerWaalsContact CE2-CD1 3.44Å; Y36-L76 WeakPolarHBondContact OH-CD1 3.13Å
37A50.8Low58.8Low35 Ų3577.1 Ų77.129%0.28942%0.416SS..  trans-77.9-19.2163.500000112.8Q17 T19Q17-A37 HydrophobicContact CB-CB 3.69Å; Q17-A37 WeakPolarHBondContact O-CB 3.45Å; Q17-A37 PolarHBondContact O-N 2.91Å; T19-A37 HydrophobicContact CG2-CB 3.75Å
38G53.7Low58.7Low46 Ų4678.1 Ų78.147%0.47440%0.403SS..SBendtrans-71.9152-175.600000114.4Y36 K43Y36-G38 VanDerWaalsContact C-N 3.33Å; G38-K43 WeakPolarHBondContact O-CD 3.43Å; G38-K43 WeakPolarHBondContact O-CE 3.39Å; G38-K43 PolarHBondContact O-NZ 3.41Å
39N58.2Low59.4Low129 Ų12979.3 Ų79.369%0.6940%0.398SS*.  trans-100.238-177.7-81.6-20.3000113.7
40S61.5Low59.6Low64 Ų6474.7 Ų74.745%0.44837%0.371SS..  trans-65.8146.9-179.3740000112R42 K43 K44S40-R42 PolarHBondContact O-N 3.44Å; S40-K43 WeakPolarHBondContact O-CB 3.36Å; S40-K43 PolarHBondContact O-N 3.13Å; S40-K43 VanDerWaalsContact O-N 3.09Å; S40-K43 WeakPolarHBondContact OG-CB 3.16Å; S40-K43 PolarHBondContact OG-N 3.26Å; S40-K44 PolarHBondContact O-N 3.06Å
41L69.4Low59.8Low148 Ų14879 Ų7978%0.77538%0.379SS*.Hα-helixtrans-55.2-39.6175.1-71172.2000111.6K43 K44 R45L41-K43 PolarHBondContact O-N 3.3Å; L41-K44 PolarHBondContact O-N 3.3Å; L41-R45 PolarHBondContact O-N 3.44Å
42R59.8Low60.4Low162 Ų16281.1 Ų81.161%0.61138%0.381SS*.Hα-helixtrans-58-47.4176.3-165.5176-66.7175.7-0.7110.9S40 R45 C46 L76S40-R42 PolarHBondContact O-N 3.44Å; R42-R45 PolarHBondContact O-N 2.89Å; R42-C46 PolarHBondContact O-N 3.16Å; R42-C46 PolarHBondContact O-SG 3.4Å; R42-L76 VanDerWaalsContact CD-CD2 3.43Å; R42-L76 HydrophobicContact CG-CD2 3.81Å
43K57.5Low60.9Low16 Ų1684.7 Ų84.77%0.0740%0.398CS..Hα-helixtrans-64.8-43.6176.2-176.1-159.2173.4-1690112.5W34 Y36 G38 S40 L41 R45 C46 N47W34-K43 VanDerWaalsContact CD1-CE 3.41Å; W34-K43 VanDerWaalsContact NE1-CE 3.29Å; Y36-K43 WeakPolarHBondContact O-CE 3.33Å; Y36-K43 PolarHBondContact O-NZ 3.38Å; G38-K43 WeakPolarHBondContact O-CD 3.43Å; G38-K43 WeakPolarHBondContact O-CE 3.39Å; G38-K43 PolarHBondContact O-NZ 3.41Å; S40-K43 WeakPolarHBondContact O-CB 3.36Å; S40-K43 PolarHBondContact O-N 3.13Å; S40-K43 VanDerWaalsContact O-N 3.09Å; S40-K43 WeakPolarHBondContact OG-CB 3.16Å; S40-K43 PolarHBondContact OG-N 3.26Å; L41-K43 PolarHBondContact O-N 3.3Å; K43-R45 VanDerWaalsContact C-N 3.27Å; K43-R45 PolarHBondContact O-N 2.88Å; K43-C46 PolarHBondContact O-N 2.71Å; K43-N47 WeakPolarHBondContact O-CB 3.45Å; K43-N47 VanDerWaalsContact O-CG 3.23Å; K43-N47 PolarHBondContact O-N 3.42Å; K43-N47 PolarHBondContact O-OD1 2.9Å
44K66.4Low61.4Low121 Ų12176.7 Ų76.753%0.52637%0.37SS..Hα-helixtrans-57.5-43.3176.7-73.9-176.8179.4179.60111.1S40 L41 N47 H48S40-K44 PolarHBondContact O-N 3.06Å; L41-K44 PolarHBondContact O-N 3.3Å; K44-N47 PolarHBondContact O-N 2.77Å; K44-H48 WeakPolarHBondContact O-CB 3.22Å; K44-H48 PolarHBondContact O-N 2.73Å
45R67.1Low61.7Low202 Ų20278.9 Ų78.976%0.76239%0.385SS*.Hα-helixtrans-65.2-45176.9-170.7177.2-75-173.1-3.6111.9L41 R42 K43 N47 H48 Y49L41-R45 PolarHBondContact O-N 3.44Å; R42-R45 PolarHBondContact O-N 2.89Å; K43-R45 VanDerWaalsContact C-N 3.27Å; K43-R45 PolarHBondContact O-N 2.88Å; R45-N47 PolarHBondContact O-N 3.3Å; R45-H48 PolarHBondContact O-N 3.14Å; R45-Y49 WeakPolarHBondContact O-CB 3.08Å; R45-Y49 PolarHBondContact O-N 3.13Å
46C60.9Low62.4Low14 Ų1483.6 Ų83.610%0.09542%0.415CS..Hα-helixtrans-60.4-44174.7-63.80000112.1R42 K43 Y49 F50 C75R42-C46 PolarHBondContact O-N 3.16Å; R42-C46 PolarHBondContact O-SG 3.4Å; K43-C46 PolarHBondContact O-N 2.71Å; C46-Y49 PolarHBondContact O-N 3.08Å; C46-F50 VanDerWaalsContact O-CB 3.27Å; C46-F50 WeakPolarHBondContact O-CB 3.41Å; C46-F50 PolarHBondContact O-N 3.05Å; C46-C75 WeakPolarHBondContact SG-CB 3.03Å; C46-C75 VanDerWaalsContact SG-SG 3.66Å
47N61Low62.5Low27 Ų2791.1 Ų91.114%0.14444%0.443CS..Hα-helixtrans-63.5-41.6177.4-73.7-5000112.2M21 W34 K43 K44 R45 F50 K51M21-N47 HydrophobicContact CE-CB 4.27Å; M21-N47 VanDerWaalsContact CE-ND2 3.31Å; M21-N47 WeakPolarHBondContact CE-ND2 2.97Å; M21-N47 VanDerWaalsContact CE-OD1 3.31Å; M21-N47 WeakPolarHBondContact CE-OD1 3.47Å; W34-N47 VanDerWaalsContact CH2-OD1 3.31Å; W34-N47 WeakPolarHBondContact CH2-OD1 3.29Å; W34-N47 WeakPolarHBondContact CZ2-OD1 3.32Å; K43-N47 WeakPolarHBondContact O-CB 3.45Å; K43-N47 VanDerWaalsContact O-CG 3.23Å; K43-N47 PolarHBondContact O-N 3.42Å; K43-N47 PolarHBondContact O-OD1 2.9Å; K44-N47 PolarHBondContact O-N 2.77Å; R45-N47 PolarHBondContact O-N 3.3Å; N47-F50 WeakPolarHBondContact O-CB 3.4Å; N47-K51 WeakPolarHBondContact O-CG 3.27Å; N47-K51 PolarHBondContact O-N 2.86Å
48H71.4Confident62.8Low119 Ų11991.3 Ų91.355%0.55144%0.437SS*.Hα-helixtrans-64.4-50.4176.4-175.584.9000110.4K44 R45 F50 K51 Q52K44-H48 WeakPolarHBondContact O-CB 3.22Å; K44-H48 PolarHBondContact O-N 2.73Å; R45-H48 PolarHBondContact O-N 3.14Å; H48-F50 VanDerWaalsContact C-N 3.3Å; H48-F50 PolarHBondContact O-N 2.8Å; H48-K51 PolarHBondContact O-N 2.84Å; H48-Q52 WeakPolarHBondContact O-CG 3.47Å; H48-Q52 PolarHBondContact O-N 3.5Å; H48-Q52 VanDerWaalsContact O-N 3.08Å
49Y67.7Low62.7Low118 Ų11894.3 Ų94.346%0.46344%0.437SS..Hα-helixtrans-56.2-44.8176.2-172.8-94.7000111.7R45 C46 K51 Q52 H53 L71R45-Y49 WeakPolarHBondContact O-CB 3.08Å; R45-Y49 PolarHBondContact O-N 3.13Å; C46-Y49 PolarHBondContact O-N 3.08Å; Y49-K51 PolarHBondContact O-N 3.22Å; Y49-Q52 PolarHBondContact O-N 3.49Å; Y49-H53 AromaticContact CD2-CD2 3.36Å; Y49-H53 WeakPolarHBondContact CD2-CD2 2.91Å; Y49-H53 AromaticContact CD2-NE2 3.93Å; Y49-H53 HydrophobicContact CE1-CB 4.19Å; Y49-H53 AromaticContact CE2-CD2 3.33Å; Y49-H53 WeakPolarHBondContact CE2-CD2 3.3Å; Y49-H53 AromaticContact CE2-NE2 3.79Å; Y49-H53 AromaticContact CG-CD2 3.88Å; Y49-H53 AromaticContact CZ-CD2 3.84Å; Y49-H53 WeakPolarHBondContact O-CB 3.32Å; Y49-H53 PolarHBondContact O-CD2 3.07Å; Y49-H53 PolarHBondContact O-N 3.48Å; Y49-L71 HydrophobicContact CD1-CD2 4.19Å; Y49-L71 HydrophobicContact CE1-CD2 4.11Å
50F64.8Low62.8Low0 Ų090 Ų900%042%0.42CS..Hα-helixtrans-54.5-55174.6-174.3-82000111.6I23 F32 W34 C46 N47 H48 Q52 H53 V54 L64 Y67 V68 L71I23-F50 HydrophobicContact CD1-CD1 3.74Å; I23-F50 HydrophobicContact CD1-CE1 3.35Å; F32-F50 HydrophobicContact CZ-CE1 4.16Å; W34-F50 HydrophobicContact CZ3-CD2 4.33Å; C46-F50 VanDerWaalsContact O-CB 3.27Å; C46-F50 WeakPolarHBondContact O-CB 3.41Å; C46-F50 PolarHBondContact O-N 3.05Å; N47-F50 WeakPolarHBondContact O-CB 3.4Å; H48-F50 VanDerWaalsContact C-N 3.3Å; H48-F50 PolarHBondContact O-N 2.8Å; F50-Q52 PolarHBondContact O-N 3.1Å; F50-H53 PolarHBondContact O-N 2.78Å; F50-V54 HydrophobicContact CD1-CG2 3.79Å; F50-V54 HydrophobicContact CE1-CG2 3.64Å; F50-V54 HydrophobicContact CG-CG2 4.38Å; F50-V54 HydrophobicContact CZ-CG2 4.14Å; F50-V54 WeakPolarHBondContact O-CG2 3.31Å; F50-V54 PolarHBondContact O-N 3.46Å; F50-V54 VanDerWaalsContact O-N 3.13Å; F50-L64 HydrophobicContact CE1-CD1 3.9Å; F50-L64 HydrophobicContact CE1-CG 4.44Å; F50-L64 HydrophobicContact CE2-CD1 4.36Å; F50-L64 HydrophobicContact CZ-CD1 3.34Å; F50-L64 HydrophobicContact CZ-CD2 4.44Å; F50-L64 HydrophobicContact CZ-CG 3.81Å; F50-Y67 AromaticContact CD2-CD1 3.82Å; F50-Y67 HydrophobicContact CD2-CD1 3.82Å; F50-Y67 AromaticContact CD2-CE1 3.65Å; F50-Y67 HydrophobicContact CD2-CE1 3.65Å; F50-Y67 AromaticContact CE2-CD1 3.19Å; F50-Y67 HydrophobicContact CE2-CD1 3.19Å; F50-Y67 AromaticContact CE2-CE1 3.53Å; F50-Y67 HydrophobicContact CE2-CE1 3.53Å; F50-Y67 HydrophobicContact CE2-CG 4.26Å; F50-Y67 HydrophobicContact CG-CE1 4.38Å; F50-Y67 AromaticContact CZ-CD1 3.78Å; F50-Y67 HydrophobicContact CZ-CD1 3.78Å; F50-Y67 HydrophobicContact CZ-CE1 4.22Å; F50-V68 HydrophobicContact CD2-CG2 4.2Å; F50-V68 HydrophobicContact CE2-CB 4.26Å; F50-V68 HydrophobicContact CE2-CG2 3.29Å; F50-V68 HydrophobicContact CZ-CG2 3.54Å; F50-L71 HydrophobicContact CB-CD1 4.24Å; F50-L71 HydrophobicContact CD2-CD1 3.37Å; F50-L71 HydrophobicContact CE2-CD1 4.09Å; F50-L71 HydrophobicContact CG-CD1 4.23Å
51K63Low62.4Low127 Ų12793.2 Ų93.255%0.55244%0.438SS*.Hα-helixtrans-58.8-35.9-178.4-75.8-179.2178.9-1740112.5N47 H48 Y49N47-K51 WeakPolarHBondContact O-CG 3.27Å; N47-K51 PolarHBondContact O-N 2.86Å; H48-K51 PolarHBondContact O-N 2.84Å; Y49-K51 PolarHBondContact O-N 3.22Å
52Q65.5Low62Low124 Ų12488.9 Ų88.958%0.57943%0.43SS*.Hα-helixtrans-80.5-33.8-178.4-62.7-57.1-32.500113.1H48 Y49 F50H48-Q52 WeakPolarHBondContact O-CG 3.47Å; H48-Q52 PolarHBondContact O-N 3.5Å; H48-Q52 VanDerWaalsContact O-N 3.08Å; Y49-Q52 PolarHBondContact O-N 3.49Å; F50-Q52 PolarHBondContact O-N 3.1Å
53H70.4Confident61.9Low103 Ų10385.1 Ų85.148%0.47742%0.418SS..Hα-helixtrans-119.413.1-165.8-61.5-71.6000115.8Y49 F50 P55 Y67Y49-H53 AromaticContact CD2-CD2 3.36Å; Y49-H53 WeakPolarHBondContact CD2-CD2 2.91Å; Y49-H53 AromaticContact CD2-NE2 3.93Å; Y49-H53 HydrophobicContact CE1-CB 4.19Å; Y49-H53 AromaticContact CE2-CD2 3.33Å; Y49-H53 WeakPolarHBondContact CE2-CD2 3.3Å; Y49-H53 AromaticContact CE2-NE2 3.79Å; Y49-H53 AromaticContact CG-CD2 3.88Å; Y49-H53 AromaticContact CZ-CD2 3.84Å; Y49-H53 WeakPolarHBondContact O-CB 3.32Å; Y49-H53 PolarHBondContact O-CD2 3.07Å; Y49-H53 PolarHBondContact O-N 3.48Å; F50-H53 PolarHBondContact O-N 2.78Å; H53-P55 WeakPolarHBondContact O-CD 3.49Å; H53-Y67 PolarHBondContact O-OH 2.86Å
54V62.1Low61.9Low23 Ų2385.4 Ų85.414%0.13942%0.42CS..  trans-52.7110.6176.4-172.20000110.2F50 W58 K59 L64 Y67F50-V54 HydrophobicContact CD1-CG2 3.79Å; F50-V54 HydrophobicContact CE1-CG2 3.64Å; F50-V54 HydrophobicContact CG-CG2 4.38Å; F50-V54 HydrophobicContact CZ-CG2 4.14Å; F50-V54 WeakPolarHBondContact O-CG2 3.31Å; F50-V54 PolarHBondContact O-N 3.46Å; F50-V54 VanDerWaalsContact O-N 3.13Å; V54-W58 HydrophobicContact CG1-CB 4.19Å; V54-K59 HydrophobicContact CG1-CG 4.17Å; V54-K59 VanDerWaalsContact O-CE 3.24Å; V54-K59 WeakPolarHBondContact O-CE 3.46Å; V54-L64 HydrophobicContact CG1-CD1 4.09Å; V54-Y67 HydrophobicContact CB-CE1 4.18Å; V54-Y67 HydrophobicContact CG1-CD1 4.06Å; V54-Y67 HydrophobicContact CG1-CE1 4.06Å; V54-Y67 HydrophobicContact CG2-CE1 4.08Å
55P61.3Low61.5Low48 Ų4882.5 Ų82.531%0.31242%0.415SS..  trans-64.8144.7-179.7-19.531.8000109.4H53 R57 W58 K59 Y67H53-P55 WeakPolarHBondContact O-CD 3.49Å; P55-R57 PolarHBondContact O-N 2.83Å; P55-W58 PolarHBondContact O-N 3.49Å; P55-K59 PolarHBondContact O-N 3.18Å; P55-Y67 WeakPolarHBondContact CD-OH 3.4Å; P55-Y67 HydrophobicContact CG-CE2 4.02Å
56P64.4Low61.2Low100 Ų10076.7 Ų76.765%0.64940%0.397SS*.G310 helixtrans-49.1-35.5178.4-27.934.6000114.4W58 K59P56-W58 PolarHBondContact O-N 2.73Å; P56-K59 HydrophobicContact CB-CD 4.47Å; P56-K59 WeakPolarHBondContact O-CA 3.35Å; P56-K59 WeakPolarHBondContact O-CB 3.26Å; P56-K59 PolarHBondContact O-N 3.41Å
57R54.9Low61.4Low187 Ų18776.7 Ų76.771%0.70640%0.395SS*.G310 helixtrans-57.5-34.7176.7-169.4177.389.2168.66113.6P55 K59P55-R57 PolarHBondContact O-N 2.83Å; R57-K59 VanDerWaalsContact C-N 3.3Å
58W57Low61.6Low39 Ų3975.5 Ų75.515%0.14839%0.389CS..G310 helixtrans-91.66.3178.4-58.1106.7000112.5V54 P55 P56 A60 K63 E66 Y67V54-W58 HydrophobicContact CG1-CB 4.19Å; P55-W58 PolarHBondContact O-N 3.49Å; P56-W58 PolarHBondContact O-N 2.73Å; W58-A60 VanDerWaalsContact C-N 3.29Å; W58-K63 HydrophobicContact CE3-CB 3.98Å; W58-K63 HydrophobicContact CE3-CD 4.46Å; W58-K63 VanDerWaalsContact CE3-O 3.23Å; W58-K63 HydrophobicContact CZ3-CD 4.35Å; W58-E66 HydrophobicContact CE3-CB 4.2Å; W58-E66 HydrophobicContact CH2-CB 4.27Å; W58-E66 HydrophobicContact CZ3-CB 3.49Å; W58-E66 VanDerWaalsContact CZ3-CB 3.49Å; W58-Y67 HydrophobicContact CB-CD1 4.23Å; W58-Y67 HydrophobicContact CB-CD2 4.09Å; W58-Y67 HydrophobicContact CB-CG 3.73Å; W58-Y67 AromaticContact CD1-CD2 3.34Å; W58-Y67 AromaticContact CD1-CE2 3.83Å; W58-Y67 AromaticContact CD1-CG 3.92Å; W58-Y67 AromaticContact CD2-CD2 3.89Å; W58-Y67 HydrophobicContact CD2-CD2 3.89Å; W58-Y67 HydrophobicContact CD2-CG 4.07Å; W58-Y67 AromaticContact CE2-CD2 3.89Å; W58-Y67 AromaticContact CG-CD2 3.53Å; W58-Y67 HydrophobicContact CG-CD2 3.53Å; W58-Y67 HydrophobicContact CG-CE2 4.37Å; W58-Y67 AromaticContact CG-CG 3.64Å; W58-Y67 HydrophobicContact CG-CG 3.64Å; W58-Y67 AromaticContact NE1-CD2 3.56Å
59K53Low61.3Low109 Ų10972 Ų7247%0.47437%0.373SS..G310 helixtrans-81.6-4.3171-58.6-179.2-169.9174.70112.8R25 V54 P55 P56 R57R25-K59 PolarHBondContact NH1-O 3.02Å; V54-K59 HydrophobicContact CG1-CG 4.17Å; V54-K59 VanDerWaalsContact O-CE 3.24Å; V54-K59 WeakPolarHBondContact O-CE 3.46Å; P55-K59 PolarHBondContact O-N 3.18Å; P56-K59 HydrophobicContact CB-CD 4.47Å; P56-K59 WeakPolarHBondContact O-CA 3.35Å; P56-K59 WeakPolarHBondContact O-CB 3.26Å; P56-K59 PolarHBondContact O-N 3.41Å; R57-K59 VanDerWaalsContact C-N 3.3Å
60A59.5Low61Low40 Ų4067.2 Ų67.233%0.33136%0.356SS..SBendtrans-65146.5171.500000111.7W58 K63W58-A60 VanDerWaalsContact C-N 3.29Å; A60-K63 HydrophobicContact CB-CB 4.03Å; A60-K63 HydrophobicContact CB-CG 3.71Å; A60-K63 PolarHBondContact O-N 3.28Å
61P54.2Low61.1Low130 Ų13067.9 Ų67.984%0.84436%0.36SS*.THydrogen-bonded Turntrans-56.3139168.724.5-31.6000109.8K63P61-K63 PolarHBondContact O-N 3.34Å; P61-K63 VanDerWaalsContact O-N 3.16Å
62G60.3Low61.2Low58 Ų5862.1 Ų62.160%0.59834%0.335SS*.THydrogen-bonded Turntrans79.8-24.4-176.100000115.9L64 S65G62-L64 VanDerWaalsContact C-N 3.34Å; G62-L64 PolarHBondContact O-N 2.95Å; G62-S65 PolarHBondContact O-OG 3.37Å
63K57.7Low61.2Low82 Ų8257.7 Ų57.736%0.35732%0.315SS..Hα-helixtrans-78.4-16179.2-69.7-55.3-173.8-171.50114.5W58 A60 P61 E66 Y67W58-K63 HydrophobicContact CE3-CB 3.98Å; W58-K63 HydrophobicContact CE3-CD 4.46Å; W58-K63 VanDerWaalsContact CE3-O 3.23Å; W58-K63 HydrophobicContact CZ3-CD 4.35Å; A60-K63 HydrophobicContact CB-CB 4.03Å; A60-K63 HydrophobicContact CB-CG 3.71Å; A60-K63 PolarHBondContact O-N 3.28Å; P61-K63 PolarHBondContact O-N 3.34Å; P61-K63 VanDerWaalsContact O-N 3.16Å; K63-E66 WeakPolarHBondContact CD-OE1 3.13Å; K63-E66 WeakPolarHBondContact CD-OE2 3.27Å; K63-E66 IonicContact NZ-OE1 2.84Å; K63-E66 PolarHBondContact NZ-OE1 2.05Å; K63-E66 IonicContact NZ-OE2 2.81Å; K63-E66 PolarHBondContact NZ-OE2 3.08Å; K63-E66 PolarHBondContact O-N 3.45Å; K63-Y67 PolarHBondContact O-N 3.19Å; K63-Y67 VanDerWaalsContact O-N 3.08Å
64L56.6Low61.1Low22 Ų2260.2 Ų60.212%0.11532%0.32CS..Hα-helixtrans-68-39.1-175.5-163.363.7000112.8F32 F50 V54 G62 Y67 V68F32-L64 HydrophobicContact CD1-CD2 3.53Å; F32-L64 HydrophobicContact CE1-CD2 3.61Å; F32-L64 HydrophobicContact CG-CD2 4.26Å; F32-L64 HydrophobicContact CZ-CD2 4.39Å; F50-L64 HydrophobicContact CE1-CD1 3.9Å; F50-L64 HydrophobicContact CE1-CG 4.44Å; F50-L64 HydrophobicContact CE2-CD1 4.36Å; F50-L64 HydrophobicContact CZ-CD1 3.34Å; F50-L64 HydrophobicContact CZ-CD2 4.44Å; F50-L64 HydrophobicContact CZ-CG 3.81Å; V54-L64 HydrophobicContact CG1-CD1 4.09Å; G62-L64 VanDerWaalsContact C-N 3.34Å; G62-L64 PolarHBondContact O-N 2.95Å; L64-Y67 PolarHBondContact O-N 3.4Å; L64-V68 VanDerWaalsContact O-CG2 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.39Å; L64-V68 PolarHBondContact O-N 3.04Å
65S59Low61.1Low61 Ų6161.5 Ų61.543%0.42733%0.33SS..Hα-helixtrans-65.3-41.4176.347.90000111.9G62 Y67 V68 E69G62-S65 PolarHBondContact O-OG 3.37Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.29Å; S65-V68 WeakPolarHBondContact O-CB 3.38Å; S65-V68 PolarHBondContact O-N 2.82Å; S65-E69 WeakPolarHBondContact O-CG 3.48Å; S65-E69 PolarHBondContact O-N 3.24Å
66E60.1Low61Low79 Ų7961.3 Ų61.337%0.36933%0.326SS..Hα-helixtrans-59-40.6173.6-66.5175.2-138.300111.2W58 K63 E69 C70W58-E66 HydrophobicContact CE3-CB 4.2Å; W58-E66 HydrophobicContact CH2-CB 4.27Å; W58-E66 HydrophobicContact CZ3-CB 3.49Å; W58-E66 VanDerWaalsContact CZ3-CB 3.49Å; K63-E66 WeakPolarHBondContact CD-OE1 3.13Å; K63-E66 WeakPolarHBondContact CD-OE2 3.27Å; K63-E66 IonicContact NZ-OE1 2.84Å; K63-E66 PolarHBondContact NZ-OE1 2.05Å; K63-E66 IonicContact NZ-OE2 2.81Å; K63-E66 PolarHBondContact NZ-OE2 3.08Å; K63-E66 PolarHBondContact O-N 3.45Å; E66-E69 PolarHBondContact O-N 3.14Å; E66-C70 PolarHBondContact O-N 2.88Å
67Y66.4Low61Low14 Ų1457.6 Ų57.66%0.05530%0.3CS..Hα-helixtrans-68.4-41175.8-176.9-120000113F50 H53 V54 P55 W58 K63 L64 S65 E69 C70 L71F50-Y67 AromaticContact CD2-CD1 3.82Å; F50-Y67 HydrophobicContact CD2-CD1 3.82Å; F50-Y67 AromaticContact CD2-CE1 3.65Å; F50-Y67 HydrophobicContact CD2-CE1 3.65Å; F50-Y67 AromaticContact CE2-CD1 3.19Å; F50-Y67 HydrophobicContact CE2-CD1 3.19Å; F50-Y67 AromaticContact CE2-CE1 3.53Å; F50-Y67 HydrophobicContact CE2-CE1 3.53Å; F50-Y67 HydrophobicContact CE2-CG 4.26Å; F50-Y67 HydrophobicContact CG-CE1 4.38Å; F50-Y67 AromaticContact CZ-CD1 3.78Å; F50-Y67 HydrophobicContact CZ-CD1 3.78Å; F50-Y67 HydrophobicContact CZ-CE1 4.22Å; H53-Y67 PolarHBondContact O-OH 2.86Å; V54-Y67 HydrophobicContact CB-CE1 4.18Å; V54-Y67 HydrophobicContact CG1-CD1 4.06Å; V54-Y67 HydrophobicContact CG1-CE1 4.06Å; V54-Y67 HydrophobicContact CG2-CE1 4.08Å; P55-Y67 WeakPolarHBondContact CD-OH 3.4Å; P55-Y67 HydrophobicContact CG-CE2 4.02Å; W58-Y67 HydrophobicContact CB-CD1 4.23Å; W58-Y67 HydrophobicContact CB-CD2 4.09Å; W58-Y67 HydrophobicContact CB-CG 3.73Å; W58-Y67 AromaticContact CD1-CD2 3.34Å; W58-Y67 AromaticContact CD1-CE2 3.83Å; W58-Y67 AromaticContact CD1-CG 3.92Å; W58-Y67 AromaticContact CD2-CD2 3.89Å; W58-Y67 HydrophobicContact CD2-CD2 3.89Å; W58-Y67 HydrophobicContact CD2-CG 4.07Å; W58-Y67 AromaticContact CE2-CD2 3.89Å; W58-Y67 AromaticContact CG-CD2 3.53Å; W58-Y67 HydrophobicContact CG-CD2 3.53Å; W58-Y67 HydrophobicContact CG-CE2 4.37Å; W58-Y67 AromaticContact CG-CG 3.64Å; W58-Y67 HydrophobicContact CG-CG 3.64Å; W58-Y67 AromaticContact NE1-CD2 3.56Å; K63-Y67 PolarHBondContact O-N 3.19Å; K63-Y67 VanDerWaalsContact O-N 3.08Å; L64-Y67 PolarHBondContact O-N 3.4Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.29Å; Y67-E69 VanDerWaalsContact C-N 3.34Å; Y67-C70 PolarHBondContact O-N 3.04Å; Y67-L71 HydrophobicContact CD1-CD1 4Å; Y67-L71 HydrophobicContact CD2-CD1 4.49Å; Y67-L71 HydrophobicContact CD2-CG 4.48Å; Y67-L71 HydrophobicContact CE1-CD1 3.32Å; Y67-L71 HydrophobicContact CE1-CG 4.25Å; Y67-L71 HydrophobicContact CE2-CD1 3.93Å; Y67-L71 HydrophobicContact CE2-CG 3.98Å; Y67-L71 WeakPolarHBondContact O-CB 2.89Å; Y67-L71 PolarHBondContact O-N 2.58Å; Y67-L71 WeakPolarHBondContact OH-CD1 3.33Å
68V64.7Low61.5Low3 Ų356 Ų562%0.01831%0.306CS..Hα-helixtrans-58.1-48.5171.8170.60000109.6M13 F32 W34 F50 L64 S65 C70 L71 L72M13-V68 HydrophobicContact CE-CG1 4.35Å; F32-V68 HydrophobicContact CD2-CG2 4.39Å; F32-V68 HydrophobicContact CE2-CG2 4.32Å; W34-V68 HydrophobicContact CD2-CG1 4.43Å; W34-V68 HydrophobicContact CE3-CB 4.48Å; W34-V68 HydrophobicContact CE3-CG1 3.55Å; W34-V68 HydrophobicContact CE3-CG2 4.05Å; W34-V68 HydrophobicContact CH2-CG1 4.13Å; W34-V68 HydrophobicContact CZ3-CB 4.16Å; W34-V68 HydrophobicContact CZ3-CG1 3.41Å; W34-V68 VanDerWaalsContact CZ3-CG1 3.41Å; W34-V68 HydrophobicContact CZ3-CG2 3.79Å; F50-V68 HydrophobicContact CD2-CG2 4.2Å; F50-V68 HydrophobicContact CE2-CB 4.26Å; F50-V68 HydrophobicContact CE2-CG2 3.29Å; F50-V68 HydrophobicContact CZ-CG2 3.54Å; L64-V68 VanDerWaalsContact O-CG2 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.39Å; L64-V68 PolarHBondContact O-N 3.04Å; S65-V68 WeakPolarHBondContact O-CB 3.38Å; S65-V68 PolarHBondContact O-N 2.82Å; V68-C70 PolarHBondContact O-N 2.91Å; V68-L71 PolarHBondContact O-N 3.24Å; V68-L72 HydrophobicContact CG1-CD1 3.61Å; V68-L72 HydrophobicContact CG1-CG 4.1Å; V68-L72 WeakPolarHBondContact O-CB 3.25Å; V68-L72 WeakPolarHBondContact O-CG 3.31Å; V68-L72 PolarHBondContact O-N 3.42Å
69E63.6Low61.9Low46 Ų4656.3 Ų56.322%0.21531%0.314CS..Hα-helixtrans-57-48.7176.5-74.2178.9-169.500111.9A9 M13 S65 E66 Y67 L71 L72 N73A9-E69 HydrophobicContact CB-CB 3.94Å; A9-E69 HydrophobicContact CB-CG 3.95Å; M13-E69 HydrophobicContact CE-CB 4.45Å; M13-E69 HydrophobicContact CE-CG 3.29Å; M13-E69 HydrophobicContact SD-CG 3.97Å; S65-E69 WeakPolarHBondContact O-CG 3.48Å; S65-E69 PolarHBondContact O-N 3.24Å; E66-E69 PolarHBondContact O-N 3.14Å; Y67-E69 VanDerWaalsContact C-N 3.34Å; E69-L71 PolarHBondContact O-N 3.45Å; E69-L72 PolarHBondContact O-N 3.27Å; E69-N73 WeakPolarHBondContact O-CB 3.31Å; E69-N73 VanDerWaalsContact O-CG 3.31Å; E69-N73 PolarHBondContact O-N 3.25Å; E69-N73 PolarHBondContact O-ND2 2.97Å
70C62.6Low62.6Low16 Ų1657.7 Ų57.711%0.10833%0.327CS..Hα-helixtrans-58.7-47.9176.5164.30000111.9E66 Y67 V68 L72 N73 R74 C81E66-C70 PolarHBondContact O-N 2.88Å; Y67-C70 PolarHBondContact O-N 3.04Å; V68-C70 PolarHBondContact O-N 2.91Å; C70-L72 VanDerWaalsContact C-N 3.34Å; C70-L72 PolarHBondContact O-N 2.96Å; C70-N73 PolarHBondContact O-N 3.37Å; C70-R74 WeakPolarHBondContact O-CB 3.15Å; C70-R74 PolarHBondContact O-N 3.46Å; C70-C81 HydrophobicContact CB-CB 3.51Å; C70-C81 WeakPolarHBondContact CB-SG 2.81Å; C70-C81 WeakPolarHBondContact SG-CB 3.36Å; C70-C81 CovalentContact SG-SG 2.03Å; C70-C81 PolarHBondContact SG-SG 3.28Å
71L67.1Low62.4Low15 Ų1561.5 Ų61.58%0.07935%0.349CS..Hα-helixtrans-66.5-35.6179-82.1174.9000112.7Y49 F50 Y67 V68 E69 R74 C75Y49-L71 HydrophobicContact CD1-CD2 4.19Å; Y49-L71 HydrophobicContact CE1-CD2 4.11Å; F50-L71 HydrophobicContact CB-CD1 4.24Å; F50-L71 HydrophobicContact CD2-CD1 3.37Å; F50-L71 HydrophobicContact CE2-CD1 4.09Å; F50-L71 HydrophobicContact CG-CD1 4.23Å; Y67-L71 HydrophobicContact CD1-CD1 4Å; Y67-L71 HydrophobicContact CD2-CD1 4.49Å; Y67-L71 HydrophobicContact CD2-CG 4.48Å; Y67-L71 HydrophobicContact CE1-CD1 3.32Å; Y67-L71 HydrophobicContact CE1-CG 4.25Å; Y67-L71 HydrophobicContact CE2-CD1 3.93Å; Y67-L71 HydrophobicContact CE2-CG 3.98Å; Y67-L71 WeakPolarHBondContact O-CB 2.89Å; Y67-L71 PolarHBondContact O-N 2.58Å; Y67-L71 WeakPolarHBondContact OH-CD1 3.33Å; V68-L71 PolarHBondContact O-N 3.24Å; E69-L71 PolarHBondContact O-N 3.45Å; L71-R74 PolarHBondContact O-N 3.35Å; L71-C75 WeakPolarHBondContact O-CB 2.96Å; L71-C75 PolarHBondContact O-N 2.83Å; L71-C75 PolarHBondContact O-SG 3.48Å
72L65.4Low62.8Low5 Ų558.1 Ų58.13%0.02633%0.325CS..Hα-helixtrans-66.9-44.6175-70.1174000111.1M13 W34 P35 Y36 V68 E69 C70 R74 C75 L76M13-L72 HydrophobicContact CE-CD1 4.07Å; W34-L72 HydrophobicContact CH2-CD2 3.89Å; W34-L72 HydrophobicContact CH2-CG 4.38Å; W34-L72 HydrophobicContact CZ2-CD2 3.55Å; W34-L72 HydrophobicContact CZ2-CG 4.41Å; P35-L72 HydrophobicContact CG-CD1 3.43Å; P35-L72 VanDerWaalsContact CG-CD1 3.43Å; Y36-L72 HydrophobicContact CD2-CD1 4.4Å; Y36-L72 HydrophobicContact CD2-CD2 3.86Å; Y36-L72 HydrophobicContact CE2-CD1 3.76Å; Y36-L72 HydrophobicContact CE2-CD2 3.37Å; Y36-L72 HydrophobicContact CE2-CG 4.08Å; V68-L72 HydrophobicContact CG1-CD1 3.61Å; V68-L72 HydrophobicContact CG1-CG 4.1Å; V68-L72 WeakPolarHBondContact O-CB 3.25Å; V68-L72 WeakPolarHBondContact O-CG 3.31Å; V68-L72 PolarHBondContact O-N 3.42Å; E69-L72 PolarHBondContact O-N 3.27Å; C70-L72 VanDerWaalsContact C-N 3.34Å; C70-L72 PolarHBondContact O-N 2.96Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 2.96Å; L72-C75 PolarHBondContact O-N 3.46Å; L72-L76 HydrophobicContact CD2-CD1 3.77Å; L72-L76 HydrophobicContact CD2-CG 4.46Å; L72-L76 WeakPolarHBondContact O-CA 3.38Å; L72-L76 VanDerWaalsContact O-CB 3.26Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 PolarHBondContact O-N 3.09Å
73N65.6Low63Low32 Ų3258.1 Ų58.117%0.17131%0.31CS..Hα-helixtrans-56.6-46172.5-76.9-24.2000110.6A9 E69 C70 L77 N78 S79A9-N73 WeakPolarHBondContact CB-OD1 3.2Å; E69-N73 WeakPolarHBondContact O-CB 3.31Å; E69-N73 VanDerWaalsContact O-CG 3.31Å; E69-N73 PolarHBondContact O-N 3.25Å; E69-N73 PolarHBondContact O-ND2 2.97Å; C70-N73 PolarHBondContact O-N 3.37Å; N73-L77 CarbonylContact O-C 3.3Å; N73-L77 VanDerWaalsContact O-C 3.3Å; N73-L77 WeakPolarHBondContact O-CA 3.31Å; N73-L77 VanDerWaalsContact O-CB 3.29Å; N73-L77 WeakPolarHBondContact O-CB 3.21Å; N73-L77 PolarHBondContact O-N 2.91Å; N73-L77 VanDerWaalsContact O-N 3.08Å; N73-L77 WeakPolarHBondContact OD1-CD1 2.91Å; N73-N78 PolarHBondContact O-N 3.32Å; N73-S79 PolarHBondContact O-N 3.23Å
74R67Low63.3Low156 Ų15656.7 Ų56.759%0.58931%0.308SS*.Hα-helixtrans-70.7-42.3-179.7-166.1171.2179.5163.6-0113.5C70 L71 L72 N78 S79C70-R74 WeakPolarHBondContact O-CB 3.15Å; C70-R74 PolarHBondContact O-N 3.46Å; L71-R74 PolarHBondContact O-N 3.35Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 2.96Å; R74-N78 WeakPolarHBondContact O-CA 3.44Å; R74-S79 VanDerWaalsContact CA-O 3.22Å; R74-S79 WeakPolarHBondContact CA-O 3.38Å; R74-S79 PolarHBondContact N-O 2.73Å
75C63.7Low63.7Low50 Ų5058.8 Ų58.834%0.33832%0.319SS..Hα-helixtrans-86.7-28.3-174.3-68.10000114.5C46 L71 L72C46-C75 WeakPolarHBondContact SG-CB 3.03Å; C46-C75 VanDerWaalsContact SG-SG 3.66Å; L71-C75 WeakPolarHBondContact O-CB 2.96Å; L71-C75 PolarHBondContact O-N 2.83Å; L71-C75 PolarHBondContact O-SG 3.48Å; L72-C75 PolarHBondContact O-N 3.46Å
76L57.4Low63.9Low43 Ų4358.6 Ų58.623%0.22531%0.312CS..Hα-helixtrans-109-37.4-175.9-58.3178.8000112.6Y36 R42 L72Y36-L76 HydrophobicContact CD2-CD1 4.31Å; Y36-L76 HydrophobicContact CE1-CD1 3.85Å; Y36-L76 HydrophobicContact CE2-CD1 3.44Å; Y36-L76 VanDerWaalsContact CE2-CD1 3.44Å; Y36-L76 WeakPolarHBondContact OH-CD1 3.13Å; R42-L76 VanDerWaalsContact CD-CD2 3.43Å; R42-L76 HydrophobicContact CG-CD2 3.81Å; L72-L76 HydrophobicContact CD2-CD1 3.77Å; L72-L76 HydrophobicContact CD2-CG 4.46Å; L72-L76 WeakPolarHBondContact O-CA 3.38Å; L72-L76 VanDerWaalsContact O-CB 3.26Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 PolarHBondContact O-N 3.09Å
77L65.4Low64.2Low22 Ų2257.3 Ų57.312%0.11531%0.308CS..SBendtrans-99.2-2.2-179.7-51.3-176.6000112.8Q6 P7 Y12 N73 S79Q6-L77 PolarHBondContact NE2-O 3.25Å; P7-L77 WeakPolarHBondContact O-CD1 3.34Å; Y12-L77 HydrophobicContact CD2-CD2 4.44Å; Y12-L77 HydrophobicContact CE2-CD2 4.12Å; N73-L77 CarbonylContact O-C 3.3Å; N73-L77 VanDerWaalsContact O-C 3.3Å; N73-L77 WeakPolarHBondContact O-CA 3.31Å; N73-L77 VanDerWaalsContact O-CB 3.29Å; N73-L77 WeakPolarHBondContact O-CB 3.21Å; N73-L77 PolarHBondContact O-N 2.91Å; N73-L77 VanDerWaalsContact O-N 3.08Å; N73-L77 WeakPolarHBondContact OD1-CD1 2.91Å; L77-S79 PolarHBondContact O-N 2.98Å; L77-S79 VanDerWaalsContact O-N 3.16Å
78N65.4Low64Low153 Ų15360.4 Ų60.482%0.81833%0.327SS*.  trans48.537-171.9-164.837.8000112.4N73 R74N73-N78 PolarHBondContact O-N 3.32Å; R74-N78 WeakPolarHBondContact O-CA 3.44Å
79S64.6Low64Low46 Ų4664.8 Ų64.832%0.32235%0.35SS..  trans-101.7142.6-175.8-177.30000110.9N73 R74 L77N73-S79 PolarHBondContact O-N 3.23Å; R74-S79 VanDerWaalsContact CA-O 3.22Å; R74-S79 WeakPolarHBondContact CA-O 3.38Å; R74-S79 PolarHBondContact N-O 2.73Å; L77-S79 PolarHBondContact O-N 2.98Å; L77-S79 VanDerWaalsContact O-N 3.16Å
80N68.7Low64Low139 Ų13966.3 Ų66.374%0.74336%0.362SS*.  trans-72.2140.6167.8-72-40000109.9
81C55.5Low64.2Low119 Ų11970.9 Ų70.980%0.80439%0.385SS*.  trans-107.70158.389.90000106.7C70C70-C81 HydrophobicContact CB-CB 3.51Å; C70-C81 WeakPolarHBondContact CB-SG 2.81Å; C70-C81 WeakPolarHBondContact SG-CB 3.36Å; C70-C81 CovalentContact SG-SG 2.03Å; C70-C81 PolarHBondContact SG-SG 3.28Å

Retrieved 81 of 81 residues in 26.6 ms (Link to these results)

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