A0A5K4F9A7_SCHMA Loading...

DUF4457 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9A7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low48.4Very low244 Ų244111 Ų111100%1.20269%0.69SS**  0111.60-62.7-178-16000106.6
2S39Very low48.4Very low128 Ų128109.4 Ų109.490%0.89566%0.662SS**  trans-88.3114.4-178.5-157.40000108.7A4S2-A4 PolarHBondContact O-N 2.98Å
3V40.5Very low48.8Very low131 Ų131106.1 Ų106.179%0.79464%0.638SS**  trans-75110.3174.9-106.20000107.4S5V3-S5 PolarHBondContact O-N 3.34Å
4A44.6Very low48.6Very low99 Ų99103.3 Ų103.382%0.81862%0.617SS**  trans-65.1101169.300000108.1S2 S6S2-A4 PolarHBondContact O-N 2.98Å; A4-S6 PolarHBondContact O-N 3Å
5S43.3Very low48.8Very low99 Ų99101.7 Ų101.769%0.69260%0.604SS**  trans-63.2101.3168.4-66.40000107.9V3 S7V3-S5 PolarHBondContact O-N 3.34Å; S5-S7 PolarHBondContact O-N 2.97Å
6S49.2Very low48.8Very low108 Ų108101.6 Ų101.676%0.75560%0.595SS**  trans-63.8103.9170.658.60000108A4 A8A4-S6 PolarHBondContact O-N 3Å; S6-A8 PolarHBondContact O-N 2.92Å
7S53.5Low48.9Very low74 Ų7498.1 Ų98.152%0.51759%0.586SS.*  trans-57101.2166.2153.30000107.9S5 S9S5-S7 PolarHBondContact O-N 2.97Å; S7-S9 PolarHBondContact O-N 2.82Å
8A56.3Low49.2Very low69 Ų6995.6 Ų95.657%0.5757%0.572SS**  trans-78.1103.9175.700000108.7S6S6-A8 PolarHBondContact O-N 2.92Å
9S55.6Low49.2Very low54 Ų5499.6 Ų99.638%0.37859%0.586SS.*  trans-63.7131.5167.9-60.70000109.6S7 Q40 N41S7-S9 PolarHBondContact O-N 2.82Å; S9-Q40 WeakPolarHBondContact CA-O 3.13Å; S9-N41 WeakPolarHBondContact CB-OD1 3.47Å; S9-N41 PolarHBondContact OG-OD1 3.04Å
10K54.1Low49.1Very low108 Ų108104.4 Ų104.447%0.4760%0.602SS.*EExtended strand (participates in β ladder)trans-100129174.1-67.4-178.7-178.1174.80109.1Y12 Q40K10-Y12 HydrophobicContact CB-CD2 4.48Å; K10-Y12 HydrophobicContact CB-CE2 3.65Å; K10-Y12 WeakPolarHBondContact CD-OH 3.44Å; K10-Q40 HydrophobicContact CB-CB 4.46Å; K10-Q40 PolarHBondContact N-O 2.79Å; K10-Q40 PolarHBondContact O-N 2.77Å
11H57.7Low49.1Very low107 Ų107103.7 Ų103.750%0.49560%0.6SS.*EExtended strand (participates in β ladder)trans-104.4130.6178.6-54.5165.2000108.9I39H11-I39 HydrophobicContact CB-CG1 4.4Å; H11-I39 VanDerWaalsContact CD2-CG1 3.45Å; H11-I39 WeakPolarHBondContact CD2-CG1 3.4Å; H11-I39 VanDerWaalsContact CD2-CG2 3.44Å; H11-I39 WeakPolarHBondContact CD2-CG2 3.45Å
12Y48.7Very low49.7Very low92 Ų92100.4 Ų100.436%0.36159%0.587SS.*EExtended strand (participates in β ladder)trans-123.3137.5177.9-57.6-91.8000109.3K10 Q38 Q40 W80K10-Y12 HydrophobicContact CB-CD2 4.48Å; K10-Y12 HydrophobicContact CB-CE2 3.65Å; K10-Y12 WeakPolarHBondContact CD-OH 3.44Å; Y12-Q38 PolarHBondContact N-O 3.06Å; Y12-Q38 PolarHBondContact O-N 2.79Å; Y12-Q40 HydrophobicContact CD2-CB 4.31Å; Y12-Q40 HydrophobicContact CE2-CB 3.77Å; Y12-Q40 PolarHBondContact OH-OE1 2.8Å; Y12-W80 AromaticContact CD2-CH2 3.88Å; Y12-W80 HydrophobicContact CD2-CH2 3.88Å; Y12-W80 AromaticContact CD2-CZ3 3.62Å; Y12-W80 HydrophobicContact CD2-CZ3 3.62Å; Y12-W80 AromaticContact CE2-CH2 3.99Å; Y12-W80 HydrophobicContact CE2-CH2 3.99Å; Y12-W80 AromaticContact CE2-CZ3 3.98Å; Y12-W80 HydrophobicContact CE2-CZ3 3.98Å; Y12-W80 HydrophobicContact CG-CH2 4.49Å; Y12-W80 HydrophobicContact CG-CZ3 4.44Å
13L53.1Low50.5Low66 Ų6696.9 Ų96.935%0.34657%0.566SS.*EExtended strand (participates in β ladder)trans-102.7112.9170.7-160.891.5000107.9I15 V35 L37 I94L13-I15 HydrophobicContact CD2-CD1 3.7Å; L13-I15 HydrophobicContact CD2-CG1 3.64Å; L13-I15 HydrophobicContact CG-CG1 4.26Å; L13-V35 HydrophobicContact CD1-CG1 3.54Å; L13-V35 HydrophobicContact CD2-CG1 3.65Å; L13-V35 HydrophobicContact CG-CG1 3.49Å; L13-V35 VanDerWaalsContact CG-CG1 3.49Å; L13-L37 HydrophobicContact CD1-CD1 4.15Å; L13-I94 HydrophobicContact CD1-CD1 4.19Å; L13-I94 HydrophobicContact CD1-CG1 4.18Å; L13-I94 HydrophobicContact CD2-CG1 4.12Å; L13-I94 HydrophobicContact CD2-CG2 3.87Å
14L46.3Very low51.1Low67 Ų6798.2 Ų98.235%0.35156%0.563SS.*EExtended strand (participates in β ladder)trans-89.5109.3171.8-73.6166.2000108.4V35 Q36 Q38L14-V35 CarbonylContact O-C 3.56Å; L14-V35 WeakPolarHBondContact O-CA 3.35Å; L14-Q36 HydrophobicContact CB-CB 4.19Å; L14-Q36 PolarHBondContact N-O 2.7Å; L14-Q36 PolarHBondContact O-N 3.47Å; L14-Q38 HydrophobicContact CD1-CB 4.41Å; L14-Q38 HydrophobicContact CD1-CG 4.4Å
15I51Low51.5Low80 Ų80101 Ų10141%0.4156%0.563SS.*EExtended strand (participates in β ladder)trans-100.9110.7174-56.7171.9000107.9L13 G17 C33 V35L13-I15 HydrophobicContact CD2-CD1 3.7Å; L13-I15 HydrophobicContact CD2-CG1 3.64Å; L13-I15 HydrophobicContact CG-CG1 4.26Å; I15-G17 PolarHBondContact O-N 2.89Å; I15-C33 HydrophobicContact CG2-CB 4.12Å; I15-V35 HydrophobicContact CG1-CG1 4.2Å; I15-V35 HydrophobicContact CG1-CG2 4.2Å; I15-V35 HydrophobicContact CG2-CG2 4.36Å
16H48.7Very low52.3Low99 Ų99104.2 Ų104.246%0.45857%0.572SS.*EExtended strand (participates in β ladder)trans-84.1101.1164.3-63.2-80.5000107.9C33 R34 Q36H16-C33 CarbonylContact O-C 3.49Å; H16-C33 WeakPolarHBondContact O-CA 3.43Å; H16-C33 VanDerWaalsContact O-CB 3.25Å; H16-C33 WeakPolarHBondContact O-CB 3.29Å; H16-R34 HydrophobicContact CB-CB 4.25Å; H16-R34 PolarHBondContact N-O 3.24Å; H16-R34 PolarHBondContact O-N 2.81Å; H16-Q36 PolarHBondContact NE2-OE1 3.5Å
17G51.5Low52.6Low43 Ų43101.6 Ų101.644%0.44355%0.554SS.*PPolyproline II helixtrans-61.7167.1176.400000112.7I15 M19I15-G17 PolarHBondContact O-N 2.89Å; G17-M19 PolarHBondContact O-N 2.91Å; G17-M19 VanDerWaalsContact O-N 3.08Å
18P53.3Low52.9Low52 Ų52104.8 Ų104.834%0.33857%0.571SS.*PPolyproline II helixtrans-55.9118.3178.827.1-37.1000110.1H20 L31 R32P18-H20 PolarHBondContact O-N 3.14Å; P18-L31 HydrophobicContact CB-CB 3.84Å; P18-L31 HydrophobicContact CB-CD2 3.71Å; P18-L31 HydrophobicContact CB-CG 4.26Å; P18-L31 HydrophobicContact CG-CB 3.86Å; P18-L31 HydrophobicContact CG-CD1 4.14Å; P18-L31 HydrophobicContact CG-CD2 3.98Å; P18-L31 HydrophobicContact CG-CG 4.2Å; P18-R32 WeakPolarHBondContact CA-O 3.4Å
19M50.4Low52.8Low172 Ų172104.4 Ų104.485%0.84756%0.561SS**PPolyproline II helixtrans-60.2123.3164.2-73.5-171.980.200106.6G17 T21G17-M19 PolarHBondContact O-N 2.91Å; G17-M19 VanDerWaalsContact O-N 3.08Å; M19-T21 PolarHBondContact O-N 2.97Å
20H45.9Very low52.8Low195 Ų195108 Ų10890%0.90358%0.575SS**  trans-39.396.8176.6-84.3-96.3000111.1P18P18-H20 PolarHBondContact O-N 3.14Å
21T49.5Very low52.8Low91 Ų91106.5 Ų106.556%0.55857%0.572SS**  trans-83.6129.516939.30000106.4M19 A23M19-T21 PolarHBondContact O-N 2.97Å; T21-A23 VanDerWaalsContact C-N 3.27Å; T21-A23 PolarHBondContact O-N 2.8Å
22N51Low52.3Low175 Ų175111.8 Ų111.894%0.93659%0.588SS**  trans-57.591176.4-76.7-27.5000109.7
23A55.6Low52.3Low53 Ų53110 Ų11044%0.43859%0.588SS.*PPolyproline II helixtrans-85.5137.717700000110T21 V29T21-A23 VanDerWaalsContact C-N 3.27Å; T21-A23 PolarHBondContact O-N 2.8Å; A23-V29 HydrophobicContact CB-CB 4.32Å; A23-V29 HydrophobicContact CB-CG1 4.2Å; A23-V29 HydrophobicContact CB-CG2 3.19Å
24Q54.7Low51.9Low160 Ų160114.9 Ų114.975%0.74860%0.602SS**PPolyproline II helixtrans-70.1142.1171.9-73.1-178.5-20.500110.1N26 S27Q24-N26 PolarHBondContact O-N 3.35Å; Q24-S27 PolarHBondContact N-OG 3.31Å; Q24-S27 WeakPolarHBondContact O-CB 3.37Å; Q24-S27 PolarHBondContact O-N 3.1Å; Q24-S27 PolarHBondContact O-OG 2.66Å
25I51.3Low52.1Low157 Ų157114.3 Ų114.381%0.80560%0.601SS**THydrogen-bonded Turntrans-56.7129.3171.4-59.5174.9000107.6
26N61.7Low51.9Low167 Ų167113.1 Ų113.189%0.89359%0.594SS**THydrogen-bonded Turntrans72.512.7-176-49.4-36.2000116.6Q24Q24-N26 PolarHBondContact O-N 3.35Å
27S55.2Low52.3Low52 Ų52109.2 Ų109.236%0.36458%0.576SS.*  trans-90.8149.7169.868.60000112.3Q24Q24-S27 PolarHBondContact N-OG 3.31Å; Q24-S27 WeakPolarHBondContact O-CB 3.37Å; Q24-S27 PolarHBondContact O-N 3.1Å; Q24-S27 PolarHBondContact O-OG 2.66Å
28T58.4Low52.3Low142 Ų142108.9 Ų108.987%0.87156%0.563SS**  trans-75125.4166.8-55.70000109.1
29V55.2Low52.5Low60 Ų60107.1 Ų107.136%0.36455%0.551SS.*  trans-116.1120.3-178-170.30000109.6A23 L31A23-V29 HydrophobicContact CB-CB 4.32Å; A23-V29 HydrophobicContact CB-CG1 4.2Å; A23-V29 HydrophobicContact CB-CG2 3.19Å; V29-L31 HydrophobicContact CG1-CD2 3.84Å; V29-L31 HydrophobicContact CG1-CG 4.37Å; V29-L31 PolarHBondContact O-N 2.85Å
30L55.4Low52.5Low129 Ų129100.3 Ų100.368%0.67552%0.516SS*.  trans-85.1107.9170.2-79.3140.4000109.1V121L30-V121 HydrophobicContact CD2-CG2 4.43Å
31L54.4Low52.9Low78 Ų7893.9 Ų93.941%0.40849%0.489SS..  trans-86.8116.8175.5-63.9176.8000109.2P18 V29P18-L31 HydrophobicContact CB-CB 3.84Å; P18-L31 HydrophobicContact CB-CD2 3.71Å; P18-L31 HydrophobicContact CB-CG 4.26Å; P18-L31 HydrophobicContact CG-CB 3.86Å; P18-L31 HydrophobicContact CG-CD1 4.14Å; P18-L31 HydrophobicContact CG-CD2 3.98Å; P18-L31 HydrophobicContact CG-CG 4.2Å; V29-L31 HydrophobicContact CG1-CD2 3.84Å; V29-L31 HydrophobicContact CG1-CG 4.37Å; V29-L31 PolarHBondContact O-N 2.85Å
32R48Very low52.9Low218 Ų21892.6 Ų92.682%0.82348%0.479SS*.  trans-101.3129.8173.9-66.2-176.9178.4-174.5-1.1109.2P18P18-R32 WeakPolarHBondContact CA-O 3.4Å
33C48.1Very low52.8Low54 Ų5491 Ų9137%0.36547%0.469SS..  trans-105.9152.4167.466.20000109.7I15 H16I15-C33 HydrophobicContact CG2-CB 4.12Å; H16-C33 CarbonylContact O-C 3.49Å; H16-C33 WeakPolarHBondContact O-CA 3.43Å; H16-C33 VanDerWaalsContact O-CB 3.25Å; H16-C33 WeakPolarHBondContact O-CB 3.29Å
34R45.2Very low52.2Low168 Ų16896.5 Ų96.563%0.63448%0.483SS*.EExtended strand (participates in β ladder)trans-105.1117.4169.8-178.3-176.2-175.6-177.42.6108H16 Q36H16-R34 HydrophobicContact CB-CB 4.25Å; H16-R34 PolarHBondContact N-O 3.24Å; H16-R34 PolarHBondContact O-N 2.81Å; R34-Q36 HydrophobicContact CG-CG 4.49Å
35V49.6Very low51.5Low55 Ų5596 Ų9633%0.33348%0.481SS..EExtended strand (participates in β ladder)trans-98.9131.8175.7-172.90000109.1L13 L14 I15 I94L13-V35 HydrophobicContact CD1-CG1 3.54Å; L13-V35 HydrophobicContact CD2-CG1 3.65Å; L13-V35 HydrophobicContact CG-CG1 3.49Å; L13-V35 VanDerWaalsContact CG-CG1 3.49Å; L14-V35 CarbonylContact O-C 3.56Å; L14-V35 WeakPolarHBondContact O-CA 3.35Å; I15-V35 HydrophobicContact CG1-CG1 4.2Å; I15-V35 HydrophobicContact CG1-CG2 4.2Å; I15-V35 HydrophobicContact CG2-CG2 4.36Å; V35-I94 HydrophobicContact CG1-CD1 4.29Å
36Q47.6Very low50.9Low56 Ų5695.9 Ų95.926%0.26248%0.482SS..EExtended strand (participates in β ladder)trans-123.6127.1173.1-64.4-176.6-50.100108.8L14 H16 R34L14-Q36 HydrophobicContact CB-CB 4.19Å; L14-Q36 PolarHBondContact N-O 2.7Å; L14-Q36 PolarHBondContact O-N 3.47Å; H16-Q36 PolarHBondContact NE2-OE1 3.5Å; R34-Q36 HydrophobicContact CG-CG 4.49Å
37L57.2Low49.8Very low16 Ų1695.3 Ų95.38%0.08447%0.474CS..EExtended strand (participates in β ladder)trans-88.4130.9168.3-177.672.3000109.2L13 I39 L88 L92L13-L37 HydrophobicContact CD1-CD1 4.15Å; L37-I39 HydrophobicContact CD2-CD1 4.49Å; L37-I39 HydrophobicContact CG-CG1 4.47Å; L37-L88 HydrophobicContact CD2-CD1 3.28Å; L37-L88 HydrophobicContact CD2-CD2 4.14Å; L37-L88 HydrophobicContact CD2-CG 4.25Å; L37-L92 HydrophobicContact CD1-CD1 3.71Å; L37-L92 HydrophobicContact CD2-CD1 3.64Å; L37-L92 HydrophobicContact CG-CD1 4.31Å
38Q51.2Low48.6Very low36 Ų36103.8 Ų103.817%0.16850%0.499CS..EExtended strand (participates in β ladder)trans-122.8124.4178.6-133.8-1771.100108.9Y12 L14 W80Y12-Q38 PolarHBondContact N-O 3.06Å; Y12-Q38 PolarHBondContact O-N 2.79Å; L14-Q38 HydrophobicContact CD1-CB 4.41Å; L14-Q38 HydrophobicContact CD1-CG 4.4Å; Q38-W80 HydrophobicContact CB-CE3 3.89Å; Q38-W80 HydrophobicContact CB-CZ3 3.88Å; Q38-W80 HydrophobicContact CG-CB 4.08Å; Q38-W80 HydrophobicContact CG-CD2 3.84Å; Q38-W80 HydrophobicContact CG-CE3 3.25Å; Q38-W80 HydrophobicContact CG-CG 4.25Å; Q38-W80 HydrophobicContact CG-CZ3 3.71Å; Q38-W80 VanDerWaalsContact NE2-CB 3.28Å; Q38-W80 VanDerWaalsContact NE2-CE3 3.28Å
39I57.1Low47.5Very low16 Ų16104.6 Ų104.68%0.08249%0.493CS..EExtended strand (participates in β ladder)trans-107.2119.5173.4-60.3-175.3000108.3H11 L37 I83 L88H11-I39 HydrophobicContact CB-CG1 4.4Å; H11-I39 VanDerWaalsContact CD2-CG1 3.45Å; H11-I39 WeakPolarHBondContact CD2-CG1 3.4Å; H11-I39 VanDerWaalsContact CD2-CG2 3.44Å; H11-I39 WeakPolarHBondContact CD2-CG2 3.45Å; L37-I39 HydrophobicContact CD2-CD1 4.49Å; L37-I39 HydrophobicContact CG-CG1 4.47Å; I39-I83 HydrophobicContact CB-CD1 3.85Å; I39-I83 HydrophobicContact CD1-CD1 3.16Å; I39-I83 HydrophobicContact CG1-CD1 3.58Å; I39-L88 HydrophobicContact CD1-CD2 4.38Å
40Q50.8Low46.7Very low28 Ų28108.3 Ų108.313%0.13151%0.509CS..EExtended strand (participates in β ladder)trans-96.6114.5172.6175.3172.630.400108.3S9 K10 Y12 T78 W80S9-Q40 WeakPolarHBondContact CA-O 3.13Å; K10-Q40 HydrophobicContact CB-CB 4.46Å; K10-Q40 PolarHBondContact N-O 2.79Å; K10-Q40 PolarHBondContact O-N 2.77Å; Y12-Q40 HydrophobicContact CD2-CB 4.31Å; Y12-Q40 HydrophobicContact CE2-CB 3.77Å; Y12-Q40 PolarHBondContact OH-OE1 2.8Å; Q40-T78 HydrophobicContact CG-CG2 3.82Å; Q40-T78 PolarHBondContact NE2-OG1 2.76Å; Q40-W80 HydrophobicContact CB-CE3 4.06Å; Q40-W80 HydrophobicContact CB-CH2 4.37Å; Q40-W80 HydrophobicContact CB-CZ3 3.74Å
41N54Low45.8Very low60 Ų60109.7 Ų109.732%0.32152%0.516SS..  trans-86.3117.5166.7-68.2-19.1000108.2S9 L43S9-N41 WeakPolarHBondContact CB-OD1 3.47Å; S9-N41 PolarHBondContact OG-OD1 3.04Å; N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 2.77Å
42D49.1Very low44.8Very low65 Ų65113 Ų11335%0.34853%0.53SS..  trans-77.988.7172.4-159.86.3000107.7K44D42-K44 PolarHBondContact O-N 3.15Å
43L49.8Very low44Very low140 Ų140110.2 Ų110.273%0.73353%0.531SS*.  trans-71.874174.5-72.6169.5000109.1N41 E45N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 2.77Å; L43-E45 PolarHBondContact O-N 3.32Å
44K42.6Very low43.1Very low169 Ų169113.1 Ų113.174%0.73555%0.552SS**  trans-76.581.1160-73.7-171.9179.9-1780108D42D42-K44 PolarHBondContact O-N 3.15Å
45E40.2Very low42.5Very low150 Ų150114.6 Ų114.670%0.70156%0.563SS**SBendtrans166.3137.8144.6-92.1165.9-164.500110.5L43 H47L43-E45 PolarHBondContact O-N 3.32Å; E45-H47 PolarHBondContact O-N 3.23Å
46N37.2Very low41.6Very low155 Ų155119.9 Ų119.983%0.82959%0.588SS**  trans-67.465.7-176-72.4-75.8000113.1
47H38.6Very low40.7Very low155 Ų155121.8 Ų121.872%0.71861%0.608SS**  trans-116.996.6167.4-90.4-112.2000109.5E45 Q49E45-H47 PolarHBondContact O-N 3.23Å; H47-Q49 PolarHBondContact O-N 3.02Å
48Y31.8Very low39.5Very low229 Ų229125.3 Ų125.390%0.89863%0.634SS**  trans-6081157.4-83.3-94.9000108.5
49Q35.5Very low38.4Very low159 Ų159132.4 Ų132.474%0.74367%0.667SS**  trans-107.7103.9155.5-84.7-172.10.800107.2H47 I51H47-Q49 PolarHBondContact O-N 3.02Å; Q49-I51 PolarHBondContact O-N 3.27Å
50I36.8Very low37.1Very low138 Ų138135.5 Ų135.571%0.70870%0.695SS**  trans-44.4107.6164-62.7166.9000107Q52I50-Q52 HydrophobicContact CG2-CB 4.23Å; I50-Q52 HydrophobicContact CG2-CG 3.68Å; I50-Q52 PolarHBondContact O-N 2.79Å
51I36.1Very low36.2Very low159 Ų159144.1 Ų144.182%0.81573%0.728SS**  trans-71.579.9167.5-59.5175.6000105.9Q49Q49-I51 PolarHBondContact O-N 3.27Å
52Q33.7Very low35.4Very low148 Ų148149 Ų14969%0.69275%0.753SS**  trans-79.9112.4161.5-98.3173.56.800106.8I50 S54I50-Q52 HydrophobicContact CG2-CB 4.23Å; I50-Q52 HydrophobicContact CG2-CG 3.68Å; I50-Q52 PolarHBondContact O-N 2.79Å; Q52-S54 PolarHBondContact O-N 3.37Å
53N31.7Very low34.7Very low159 Ų159150.9 Ų150.985%0.8577%0.771SS**  trans29.793.9146.6-61.5-19000116.2
54S29.9Very low33.8Very low115 Ų115152.6 Ų152.680%0.80478%0.775SS**  trans-149.4121.9148.946.60000110.8Q52Q52-S54 PolarHBondContact O-N 3.37Å
55K33Very low33.4Very low198 Ų198151.3 Ų151.386%0.86178%0.781SS**  trans83.746.6168-112173.9-179.3-177.80118.6S57K55-S57 VanDerWaalsContact C-N 3.31Å; K55-S57 PolarHBondContact O-N 2.95Å
56L29.9Very low33Very low166 Ų166149.1 Ų149.187%0.86978%0.782SS**  trans-7892.8134.3-109.591.9000106.6S58L56-S58 PolarHBondContact O-N 3.15Å
57S29.6Very low32.9Very low97 Ų97146.9 Ų146.968%0.67878%0.779SS**  trans-67.399.3166.435.30000108.4K55K55-S57 VanDerWaalsContact C-N 3.31Å; K55-S57 PolarHBondContact O-N 2.95Å
58S30.2Very low32.7Very low89 Ų89144.9 Ų144.962%0.62278%0.782SS**SBendtrans44.8121.4139.548.20000118.6L56L56-S58 PolarHBondContact O-N 3.15Å
59E29Very low32.9Very low185 Ų185139.2 Ų139.286%0.86478%0.776SS**  trans77.283.7151.3-62.9168.8118.600116
60A30Very low33Very low81 Ų81137 Ų13767%0.66978%0.778SS**SBend165.6136.4102.800000111.1
61Y32.2Very low33.1Very low210 Ų210139 Ų13982%0.82479%0.79SS**  trans68.968.9165.8-60.7-82000118.5
62L36.9Very low33.2Very low162 Ų162136.1 Ų136.185%0.84878%0.784SS**  trans-109.484.9149-70.4177.6000108.7E64L62-E64 PolarHBondContact O-N 2.92Å
63S34Very low33.3Very low104 Ų104135.1 Ų135.173%0.72779%0.793SS**  trans-73.8104.9165.5-57.20000108.6V65S63-V65 PolarHBondContact O-N 3.38Å
64E30.8Very low33.7Very low177 Ų177133.2 Ų133.283%0.82779%0.787SS**  trans11.1104.4148.3-61.5180130.100116.7L62L62-E64 PolarHBondContact O-N 2.92Å
65V34.7Very low34.4Very low141 Ų141131.3 Ų131.386%0.85578%0.778SS**  trans-130.178.2140.9-1720000107.4S63S63-V65 PolarHBondContact O-N 3.38Å
66S31.2Very low34.8Very low104 Ų104128.7 Ų128.773%0.72778%0.782SS**  trans-70120.4159.2-65.30000107.9
67S35.2Very low35.4Very low109 Ų109122.7 Ų122.776%0.76276%0.759SS**  trans-161.4117.8144.4-79.90000112
68S35.6Very low36.2Very low112 Ų112121.1 Ų121.178%0.78375%0.746SS**  trans68.894.3155.657.90000119.3
69S35.2Very low37.2Very low111 Ų111121.3 Ų121.378%0.77674%0.743SS**  trans-56.1136.514742.20000112.2
70S38.5Very low38.2Very low112 Ų112118 Ų11878%0.78372%0.723SS**  trans-154.9113.6155.3-67.50000107.8S72S70-S72 PolarHBondContact O-N 3.36Å
71L37.6Very low39.2Very low181 Ų181118.5 Ų118.595%0.94871%0.711SS**  trans-60119.1179.3-64.291.9000110
72S38Very low40.1Very low98 Ų98114.7 Ų114.769%0.68571%0.71SS**  trans-138.7126.4161.771.70000109.4S70 T74S70-S72 PolarHBondContact O-N 3.36Å; S72-T74 PolarHBondContact O-N 2.8Å; S72-T74 VanDerWaalsContact O-N 3.1Å; S72-T74 PolarHBondContact O-OG1 2.78Å
73S36.4Very low40.9Very low127 Ų127109.1 Ų109.189%0.88868%0.68SS**  trans-52.7108-179.556.50000112.1
74T40.8Very low41.9Very low119 Ų119108.1 Ų108.173%0.7367%0.667SS**  trans-98.8122.3171.6-40.10000108.1S72S72-T74 PolarHBondContact O-N 2.8Å; S72-T74 VanDerWaalsContact O-N 3.1Å; S72-T74 PolarHBondContact O-OG1 2.78Å
75A45Very low42.8Very low75 Ų75103.2 Ų103.262%0.6265%0.651SS**  trans-39.7161.7167.400000112.5G77A75-G77 VanDerWaalsContact C-N 3.32Å; A75-G77 WeakPolarHBondContact O-CA 3.49Å; A75-G77 PolarHBondContact O-N 3.48Å
76P40Very low43.6Very low143 Ų143106.4 Ų106.493%0.92965%0.649SS**SBendtrans-56100.3177.524.7-33.5000108.3
77G42.5Very low44.9Very low39 Ų39107.9 Ų107.940%0.40265%0.648SS.*  trans-156.7110.1-14700000108.2A75 V79A75-G77 VanDerWaalsContact C-N 3.32Å; A75-G77 WeakPolarHBondContact O-CA 3.49Å; A75-G77 PolarHBondContact O-N 3.48Å; G77-V79 PolarHBondContact O-N 3.47Å; G77-V79 VanDerWaalsContact O-N 3.14Å
78T47.7Very low46Very low65 Ų65104.5 Ų104.540%0.39962%0.621SS.*  trans10.491.5153.7-53.40000114.3Q40 W80Q40-T78 HydrophobicContact CG-CG2 3.82Å; Q40-T78 PolarHBondContact NE2-OG1 2.76Å; T78-W80 HydrophobicContact CG2-CD2 3.68Å; T78-W80 HydrophobicContact CG2-CE3 4.23Å; T78-W80 HydrophobicContact CG2-CG 4.19Å; T78-W80 HydrophobicContact CG2-CH2 4.3Å; T78-W80 HydrophobicContact CG2-CZ2 3.67Å
79V50.9Low46.8Very low93 Ų93105 Ų10556%0.56462%0.622SS**  trans-81.5120.7167.5179.80000107.5G77G77-V79 PolarHBondContact O-N 3.47Å; G77-V79 VanDerWaalsContact O-N 3.14Å
80W49Very low47.7Very low115 Ų115105.8 Ų105.844%0.43662%0.617SS.*EExtended strand (participates in β ladder)trans-95.5131.2177.2-64.1113.7000110.4Y12 Q38 Q40 T78Y12-W80 AromaticContact CD2-CH2 3.88Å; Y12-W80 HydrophobicContact CD2-CH2 3.88Å; Y12-W80 AromaticContact CD2-CZ3 3.62Å; Y12-W80 HydrophobicContact CD2-CZ3 3.62Å; Y12-W80 AromaticContact CE2-CH2 3.99Å; Y12-W80 HydrophobicContact CE2-CH2 3.99Å; Y12-W80 AromaticContact CE2-CZ3 3.98Å; Y12-W80 HydrophobicContact CE2-CZ3 3.98Å; Y12-W80 HydrophobicContact CG-CH2 4.49Å; Y12-W80 HydrophobicContact CG-CZ3 4.44Å; Q38-W80 HydrophobicContact CB-CE3 3.89Å; Q38-W80 HydrophobicContact CB-CZ3 3.88Å; Q38-W80 HydrophobicContact CG-CB 4.08Å; Q38-W80 HydrophobicContact CG-CD2 3.84Å; Q38-W80 HydrophobicContact CG-CE3 3.25Å; Q38-W80 HydrophobicContact CG-CG 4.25Å; Q38-W80 HydrophobicContact CG-CZ3 3.71Å; Q38-W80 VanDerWaalsContact NE2-CB 3.28Å; Q38-W80 VanDerWaalsContact NE2-CE3 3.28Å; Q40-W80 HydrophobicContact CB-CE3 4.06Å; Q40-W80 HydrophobicContact CB-CH2 4.37Å; Q40-W80 HydrophobicContact CB-CZ3 3.74Å; T78-W80 HydrophobicContact CG2-CD2 3.68Å; T78-W80 HydrophobicContact CG2-CE3 4.23Å; T78-W80 HydrophobicContact CG2-CG 4.19Å; T78-W80 HydrophobicContact CG2-CH2 4.3Å; T78-W80 HydrophobicContact CG2-CZ2 3.67Å
81Q51.7Low48.3Very low91 Ų91110.5 Ų110.543%0.42562%0.623SS.*EExtended strand (participates in β ladder)trans-113.2137.6174.7-62.6-178.12.200110.3
82V50.3Low49Very low131 Ų131105.6 Ų105.679%0.79460%0.598SS**EExtended strand (participates in β ladder)trans-87.4121.6170.2179.60000107.6
83I53.1Low49.6Very low44 Ų44110 Ų11023%0.22661%0.605CS.*  trans-116.1135.9-178.5-68.4164.6000109.3I39 P85 L88I39-I83 HydrophobicContact CB-CD1 3.85Å; I39-I83 HydrophobicContact CD1-CD1 3.16Å; I39-I83 HydrophobicContact CG1-CD1 3.58Å; I83-P85 WeakPolarHBondContact O-CD 3.36Å; I83-L88 HydrophobicContact CG2-CD2 4.02Å; I83-L88 HydrophobicContact CG2-CG 4.43Å
84N55Low50.5Low83 Ų83107.6 Ų107.644%0.44458%0.581SS.*  trans-67.9116.5170.1-177.6-13.7000108.4Y86 L87N84-Y86 PolarHBondContact O-N 2.66Å; N84-Y86 VanDerWaalsContact O-N 3.12Å; N84-Y86 WeakPolarHBondContact OD1-CD2 3.34Å; N84-Y86 PolarHBondContact OD1-N 2.85Å; N84-Y86 VanDerWaalsContact OD1-N 3.16Å; N84-L87 HydrophobicContact CB-CD1 3.96Å; N84-L87 HydrophobicContact CB-CG 4.08Å; N84-L87 WeakPolarHBondContact O-CB 3.37Å; N84-L87 PolarHBondContact O-N 2.8Å
85P50Low51.2Low75 Ų75107.1 Ų107.149%0.48757%0.573SS.*G310 helixtrans-61.2-23.9-174.424.7-34.6000113.6I83 L87 L88I83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-L87 PolarHBondContact O-N 3.38Å; P85-L88 HydrophobicContact CB-CD1 4.48Å; P85-L88 PolarHBondContact O-N 3.23Å
86Y53.1Low51.8Low207 Ų207107 Ų10781%0.81256%0.564SS**G310 helixtrans-69.7-14.2176.6-60.8-68.2000113.9N84N84-Y86 PolarHBondContact O-N 2.66Å; N84-Y86 VanDerWaalsContact O-N 3.12Å; N84-Y86 WeakPolarHBondContact OD1-CD2 3.34Å; N84-Y86 PolarHBondContact OD1-N 2.85Å; N84-Y86 VanDerWaalsContact OD1-N 3.16Å
87L58Low52.9Low135 Ų135104.9 Ų104.971%0.70754%0.542SS*.G310 helixtrans-93.33.4179.8-59.7179.8000113.1N84 P85N84-L87 HydrophobicContact CB-CD1 3.96Å; N84-L87 HydrophobicContact CB-CG 4.08Å; N84-L87 WeakPolarHBondContact O-CB 3.37Å; N84-L87 PolarHBondContact O-N 2.8Å; P85-L87 PolarHBondContact O-N 3.38Å
88L58.3Low53.9Low38 Ų38105 Ų10520%0.19953%0.53CS..  trans-82.1134.5180-63.6166.1000110.2L37 I39 I83 P85 D90 L92L37-L88 HydrophobicContact CD2-CD1 3.28Å; L37-L88 HydrophobicContact CD2-CD2 4.14Å; L37-L88 HydrophobicContact CD2-CG 4.25Å; I39-L88 HydrophobicContact CD1-CD2 4.38Å; I83-L88 HydrophobicContact CG2-CD2 4.02Å; I83-L88 HydrophobicContact CG2-CG 4.43Å; P85-L88 HydrophobicContact CB-CD1 4.48Å; P85-L88 PolarHBondContact O-N 3.23Å; L88-D90 PolarHBondContact O-N 3.38Å; L88-L92 HydrophobicContact CD1-CD1 3.3Å; L88-L92 HydrophobicContact CD1-CG 3.81Å
89P51.7Low54.6Low124 Ų124107.2 Ų107.281%0.80554%0.537SS*.SBendtrans-65.7-26.6-177.826.5-34.1000112.3
90D53.9Low55Low126 Ų126106.4 Ų106.467%0.67453%0.526SS*.SBendtrans-109.9137.4179.6-62.4-41.8000110.8L88 L92L88-D90 PolarHBondContact O-N 3.38Å; D90-L92 PolarHBondContact O-N 2.78Å
91K51.3Low56Low211 Ų211106.8 Ų106.892%0.91754%0.537SS*.  trans-62.3108.6171.1-66.8-171.6178.5-168.60108.9K93K91-K93 PolarHBondContact O-N 3.29Å
92L52.3Low56.6Low79 Ų79105.8 Ų105.841%0.41455%0.551SS.*  trans-72.1116.2169.6-72.3-177.9000109.4L37 L88 D90 I94L37-L92 HydrophobicContact CD1-CD1 3.71Å; L37-L92 HydrophobicContact CD2-CD1 3.64Å; L37-L92 HydrophobicContact CG-CD1 4.31Å; L88-L92 HydrophobicContact CD1-CD1 3.3Å; L88-L92 HydrophobicContact CD1-CG 3.81Å; D90-L92 PolarHBondContact O-N 2.78Å; L92-I94 PolarHBondContact O-N 2.92Å
93K49.9Very low57.1Low190 Ų190106.4 Ų106.483%0.82654%0.543SS*.  trans-76106.9170.3-171.7176-1781780109.1K91K91-K93 PolarHBondContact O-N 3.29Å
94I56Low57.7Low77 Ų77105.9 Ų105.940%0.39555%0.548SS..  trans-89122.6171.8-61170.8000108L13 V35 L92 V96L13-I94 HydrophobicContact CD1-CD1 4.19Å; L13-I94 HydrophobicContact CD1-CG1 4.18Å; L13-I94 HydrophobicContact CD2-CG1 4.12Å; L13-I94 HydrophobicContact CD2-CG2 3.87Å; V35-I94 HydrophobicContact CG1-CD1 4.29Å; L92-I94 PolarHBondContact O-N 2.92Å; I94-V96 HydrophobicContact CG2-CG2 4.09Å
95I54.8Low58.1Low109 Ų109103.7 Ų103.756%0.55953%0.534SS*.  trans-96.8114171.1-56.4176.5000107Q97I95-Q97 HydrophobicContact CG2-CG 4.14Å
96V58.8Low59.3Low72 Ų72103.4 Ų103.444%0.43653%0.529SS..  trans-91.9124.3173-177.70000108I94 L120I94-V96 HydrophobicContact CG2-CG2 4.09Å; V96-L120 HydrophobicContact CG1-CD2 4.15Å
97Q62.9Low60.1Low98 Ų9896.9 Ų96.946%0.45851%0.506SS..  trans-118.9142.4172.5-67.9-178.3-31.900109.3I95 Y105I95-Q97 HydrophobicContact CG2-CG 4.14Å; Q97-Y105 WeakPolarHBondContact CA-O 3.12Å
98W63Low61.1Low43 Ų4395.5 Ų95.516%0.16350%0.499CS..EExtended strand (participates in β ladder)trans-82129.4168.8-172.180.1000109.1K100 G104 Y105 L110 F114 Y118 L120W98-K100 HydrophobicContact CE3-CB 3.84Å; W98-K100 HydrophobicContact CH2-CB 3.55Å; W98-K100 HydrophobicContact CH2-CD 3.64Å; W98-K100 HydrophobicContact CH2-CG 3.9Å; W98-K100 HydrophobicContact CZ2-CB 4.41Å; W98-K100 HydrophobicContact CZ3-CB 3.2Å; W98-K100 HydrophobicContact CZ3-CD 3.66Å; W98-K100 HydrophobicContact CZ3-CG 3.93Å; W98-G104 CarbonylContact O-C 3.6Å; W98-G104 WeakPolarHBondContact O-CA 3.4Å; W98-Y105 AromaticContact CE3-CD2 3.74Å; W98-Y105 HydrophobicContact CE3-CD2 3.74Å; W98-Y105 HydrophobicContact CE3-CE2 4.31Å; W98-Y105 HydrophobicContact CE3-CG 4.41Å; W98-Y105 HydrophobicContact CZ3-CD2 4.23Å; W98-Y105 HydrophobicContact CZ3-CE2 4.37Å; W98-Y105 PolarHBondContact N-O 2.85Å; W98-Y105 WeakPolarHBondContact O-CD2 3.41Å; W98-Y105 PolarHBondContact O-N 3.08Å; W98-L110 HydrophobicContact CB-CD1 3.88Å; W98-L110 HydrophobicContact CB-CD2 3.94Å; W98-L110 HydrophobicContact CB-CG 4.48Å; W98-L110 HydrophobicContact CD2-CD1 3.59Å; W98-L110 HydrophobicContact CE3-CD1 3.28Å; W98-L110 HydrophobicContact CG-CD1 3.86Å; W98-L110 HydrophobicContact CG-CD2 4.27Å; W98-L110 HydrophobicContact CZ3-CD1 3.89Å; W98-F114 HydrophobicContact CE3-CE2 4.33Å; W98-F114 HydrophobicContact CH2-CE2 4.45Å; W98-F114 HydrophobicContact CH2-CZ 4.38Å; W98-F114 HydrophobicContact CZ3-CD2 4.48Å; W98-F114 AromaticContact CZ3-CE2 3.64Å; W98-F114 HydrophobicContact CZ3-CE2 3.64Å; W98-F114 AromaticContact CZ3-CZ 3.82Å; W98-F114 HydrophobicContact CZ3-CZ 3.82Å; W98-Y118 HydrophobicContact CH2-CD2 4.47Å; W98-Y118 HydrophobicContact CH2-CE2 4.33Å; W98-L120 HydrophobicContact CB-CD2 4.47Å
99M63.4Low61.9Low110 Ų11096.3 Ų96.354%0.54251%0.505SS..EExtended strand (participates in β ladder)trans-104.1128.1-177.5-62.8-62.7-60.600110.8G102 F103 G104M99-G102 WeakPolarHBondContact CE-O 3.45Å; M99-F103 CarbonylContact C-O 3.56Å; M99-F103 WeakPolarHBondContact CA-O 3.15Å; M99-G104 WeakPolarHBondContact SD-CA 3.43Å
100K59.4Low63Low76 Ų7690.5 Ų90.533%0.3347%0.467SS..EExtended strand (participates in β ladder)trans-141.2131.3169.2-178.8-165.4-173.7-81.10110.4W98 G102 F103 Y105 F114W98-K100 HydrophobicContact CE3-CB 3.84Å; W98-K100 HydrophobicContact CH2-CB 3.55Å; W98-K100 HydrophobicContact CH2-CD 3.64Å; W98-K100 HydrophobicContact CH2-CG 3.9Å; W98-K100 HydrophobicContact CZ2-CB 4.41Å; W98-K100 HydrophobicContact CZ3-CB 3.2Å; W98-K100 HydrophobicContact CZ3-CD 3.66Å; W98-K100 HydrophobicContact CZ3-CG 3.93Å; K100-G102 PolarHBondContact O-N 3.12Å; K100-G102 VanDerWaalsContact O-N 3.15Å; K100-F103 PolarHBondContact N-O 3.01Å; K100-F103 PolarHBondContact O-N 3.02Å; K100-Y105 HydrophobicContact CB-CE2 3.99Å; K100-F114 HydrophobicContact CD-CE1 4.07Å; K100-F114 HydrophobicContact CD-CZ 3.62Å
101D69.8Low64.1Low124 Ų12491.8 Ų91.866%0.66346%0.463SS*.THydrogen-bonded Turntrans54.430.2-179.8-50.8-36.3000113.4F103D101-F103 VanDerWaalsContact C-N 3.31Å; D101-F103 WeakPolarHBondContact O-CD2 3.24Å; D101-F103 PolarHBondContact O-N 3.16Å
102G63.2Low65.6Low69 Ų6988.9 Ų88.971%0.71145%0.453SS*.THydrogen-bonded Turntrans84.3-3.7-177.300000115.1M99 K100M99-G102 WeakPolarHBondContact CE-O 3.45Å; K100-G102 PolarHBondContact O-N 3.12Å; K100-G102 VanDerWaalsContact O-N 3.15Å
103F61.3Low66.9Low145 Ų14588.4 Ų88.464%0.63645%0.453SS*.EExtended strand (participates in β ladder)trans-97.5133.7175.9-63.6-85.4000111.2M99 K100 D101 Y105M99-F103 CarbonylContact C-O 3.56Å; M99-F103 WeakPolarHBondContact CA-O 3.15Å; K100-F103 PolarHBondContact N-O 3.01Å; K100-F103 PolarHBondContact O-N 3.02Å; D101-F103 VanDerWaalsContact C-N 3.31Å; D101-F103 WeakPolarHBondContact O-CD2 3.24Å; D101-F103 PolarHBondContact O-N 3.16Å; F103-Y105 HydrophobicContact CB-CE2 3.91Å; F103-Y105 WeakPolarHBondContact O-CD2 3.16Å; F103-Y105 WeakPolarHBondContact O-CE2 3.36Å
104G66.1Low68.3Low33 Ų3380.4 Ų80.434%0.3442%0.418SS..EExtended strand (participates in β ladder)trans-90.8132.9172.900000111.4W98 M99W98-G104 CarbonylContact O-C 3.6Å; W98-G104 WeakPolarHBondContact O-CA 3.4Å; M99-G104 WeakPolarHBondContact SD-CA 3.43Å
105Y64.1Low69.5Low37 Ų3784 Ų8415%0.14544%0.438CS..EExtended strand (participates in β ladder)trans-115120.5177.3-58.5-95.1000108.2Q97 W98 K100 F103 T109 L110 T113 F114Q97-Y105 WeakPolarHBondContact CA-O 3.12Å; W98-Y105 AromaticContact CE3-CD2 3.74Å; W98-Y105 HydrophobicContact CE3-CD2 3.74Å; W98-Y105 HydrophobicContact CE3-CE2 4.31Å; W98-Y105 HydrophobicContact CE3-CG 4.41Å; W98-Y105 HydrophobicContact CZ3-CD2 4.23Å; W98-Y105 HydrophobicContact CZ3-CE2 4.37Å; W98-Y105 PolarHBondContact N-O 2.85Å; W98-Y105 WeakPolarHBondContact O-CD2 3.41Å; W98-Y105 PolarHBondContact O-N 3.08Å; K100-Y105 HydrophobicContact CB-CE2 3.99Å; F103-Y105 HydrophobicContact CB-CE2 3.91Å; F103-Y105 WeakPolarHBondContact O-CD2 3.16Å; F103-Y105 WeakPolarHBondContact O-CE2 3.36Å; Y105-T109 HydrophobicContact CD1-CG2 3.9Å; Y105-L110 HydrophobicContact CG-CD1 4.49Å; Y105-T113 HydrophobicContact CE1-CG2 3.89Å; Y105-F114 HydrophobicContact CD1-CE2 4.43Å; Y105-F114 HydrophobicContact CE1-CE2 4.29Å
106D73.4Confident70.5Confident69 Ų6980.5 Ų80.537%0.36943%0.43SS..  trans-67.9173.2162.760.653.9000110.8D108 T109 L110D106-D108 PolarHBondContact O-N 3.27Å; D106-D108 PolarHBondContact OD1-N 2.9Å; D106-T109 VanDerWaalsContact CG-OG1 3.25Å; D106-T109 PolarHBondContact O-N 2.76Å; D106-T109 VanDerWaalsContact OD1-CB 3.24Å; D106-T109 WeakPolarHBondContact OD1-CB 3.25Å; D106-T109 PolarHBondContact OD1-N 3.28Å; D106-T109 PolarHBondContact OD1-OG1 2.85Å; D106-T109 PolarHBondContact OD2-OG1 3.23Å; D106-L110 WeakPolarHBondContact O-CB 3.26Å; D106-L110 PolarHBondContact O-N 3.35Å
107Q70.7Confident71.1Confident70 Ų7085.7 Ų85.733%0.32744%0.441SS..Hα-helixtrans-57.5-45.3-174.5-177.5164-42.900113.5R111 L120 E122Q107-R111 WeakPolarHBondContact O-CB 3.4Å; Q107-R111 PolarHBondContact O-N 3.34Å; Q107-L120 HydrophobicContact CB-CB 4.42Å; Q107-L120 HydrophobicContact CB-CD1 4.12Å; Q107-L120 HydrophobicContact CG-CB 4.37Å; Q107-E122 PolarHBondContact NE2-OE1 3.2Å; Q107-E122 PolarHBondContact OE1-OE1 3.29Å; Q107-E122 VanDerWaalsContact OE1-OE1 3.06Å
108D78.5Confident71.3Confident105 Ų10585.5 Ų85.556%0.56144%0.437SS*.Hα-helixtrans-69.2-45.7-178.5-70.6-33.5000110.7D106 R111 Q112D106-D108 PolarHBondContact O-N 3.27Å; D106-D108 PolarHBondContact OD1-N 2.9Å; D108-R111 PolarHBondContact O-N 3.49Å; D108-Q112 WeakPolarHBondContact O-CB 3.33Å; D108-Q112 VanDerWaalsContact O-CG 3.26Å; D108-Q112 WeakPolarHBondContact O-CG 3.28Å; D108-Q112 PolarHBondContact O-N 3.24Å
109T75.8Confident71.4Confident55 Ų5587.9 Ų87.934%0.33746%0.457SS..Hα-helixtrans-65.9-40.5179.5-51.40000111Y105 D106 Q112 T113Y105-T109 HydrophobicContact CD1-CG2 3.9Å; D106-T109 VanDerWaalsContact CG-OG1 3.25Å; D106-T109 PolarHBondContact O-N 2.76Å; D106-T109 VanDerWaalsContact OD1-CB 3.24Å; D106-T109 WeakPolarHBondContact OD1-CB 3.25Å; D106-T109 PolarHBondContact OD1-N 3.28Å; D106-T109 PolarHBondContact OD1-OG1 2.85Å; D106-T109 PolarHBondContact OD2-OG1 3.23Å; T109-Q112 PolarHBondContact O-N 3.35Å; T109-T113 WeakPolarHBondContact O-CB 3.2Å; T109-T113 PolarHBondContact O-N 3.04Å; T109-T113 PolarHBondContact O-OG1 3.06Å
110L74.1Confident71.5Confident2 Ų284.5 Ų84.51%0.0144%0.44CS..Hα-helixtrans-60.4-49.5175.4-178.969.9000110.7W98 Y105 D106 Q112 F114 Y118 L120W98-L110 HydrophobicContact CB-CD1 3.88Å; W98-L110 HydrophobicContact CB-CD2 3.94Å; W98-L110 HydrophobicContact CB-CG 4.48Å; W98-L110 HydrophobicContact CD2-CD1 3.59Å; W98-L110 HydrophobicContact CE3-CD1 3.28Å; W98-L110 HydrophobicContact CG-CD1 3.86Å; W98-L110 HydrophobicContact CG-CD2 4.27Å; W98-L110 HydrophobicContact CZ3-CD1 3.89Å; Y105-L110 HydrophobicContact CG-CD1 4.49Å; D106-L110 WeakPolarHBondContact O-CB 3.26Å; D106-L110 PolarHBondContact O-N 3.35Å; L110-Q112 PolarHBondContact O-N 3.39Å; L110-F114 HydrophobicContact CD1-CD2 3.9Å; L110-F114 HydrophobicContact CD1-CE2 4.04Å; L110-F114 WeakPolarHBondContact O-CD2 3.42Å; L110-F114 PolarHBondContact O-N 2.75Å; L110-Y118 HydrophobicContact CD1-CD2 4.4Å; L110-Y118 HydrophobicContact CD1-CG 4.45Å; L110-L120 HydrophobicContact CD2-CG 3.95Å
111R76.9Confident71.7Confident154 Ų15486.3 Ų86.358%0.58146%0.457SS*.Hα-helixtrans-62.8-44.9-179.9-172.8178.3173.5-119.9-1.9111.1Q107 D108 N115 G116Q107-R111 WeakPolarHBondContact O-CB 3.4Å; Q107-R111 PolarHBondContact O-N 3.34Å; D108-R111 PolarHBondContact O-N 3.49Å; R111-N115 PolarHBondContact O-N 3.04Å; R111-G116 PolarHBondContact O-N 3.2Å
112Q83Confident71.1Confident150 Ų15086.7 Ų86.770%0.70146%0.455SS*.Hα-helixtrans-68.1-47.3-179.9-71.2177.621.400112.1D108 T109 L110 F114 N115D108-Q112 WeakPolarHBondContact O-CB 3.33Å; D108-Q112 VanDerWaalsContact O-CG 3.26Å; D108-Q112 WeakPolarHBondContact O-CG 3.28Å; D108-Q112 PolarHBondContact O-N 3.24Å; T109-Q112 PolarHBondContact O-N 3.35Å; L110-Q112 PolarHBondContact O-N 3.39Å; Q112-F114 VanDerWaalsContact C-N 3.27Å; Q112-F114 PolarHBondContact O-N 3.45Å; Q112-N115 PolarHBondContact O-N 2.73Å
113T79.8Confident70.4Confident69 Ų6989 Ų8942%0.42346%0.46SS..Hα-helixtrans-61.8-34.5-175.4-58.50000112.4Y105 T109Y105-T113 HydrophobicContact CE1-CG2 3.89Å; T109-T113 WeakPolarHBondContact O-CB 3.2Å; T109-T113 PolarHBondContact O-N 3.04Å; T109-T113 PolarHBondContact O-OG1 3.06Å
114F79.2Confident69.6Low22 Ų2291 Ų9110%0.09647%0.471CS..THydrogen-bonded Turntrans-111.622.6-176.2-60-80.3000113.7W98 K100 Y105 L110 Q112 G116 R117 Y118W98-F114 HydrophobicContact CE3-CE2 4.33Å; W98-F114 HydrophobicContact CH2-CE2 4.45Å; W98-F114 HydrophobicContact CH2-CZ 4.38Å; W98-F114 HydrophobicContact CZ3-CD2 4.48Å; W98-F114 AromaticContact CZ3-CE2 3.64Å; W98-F114 HydrophobicContact CZ3-CE2 3.64Å; W98-F114 AromaticContact CZ3-CZ 3.82Å; W98-F114 HydrophobicContact CZ3-CZ 3.82Å; K100-F114 HydrophobicContact CD-CE1 4.07Å; K100-F114 HydrophobicContact CD-CZ 3.62Å; Y105-F114 HydrophobicContact CD1-CE2 4.43Å; Y105-F114 HydrophobicContact CE1-CE2 4.29Å; L110-F114 HydrophobicContact CD1-CD2 3.9Å; L110-F114 HydrophobicContact CD1-CE2 4.04Å; L110-F114 WeakPolarHBondContact O-CD2 3.42Å; L110-F114 PolarHBondContact O-N 2.75Å; Q112-F114 VanDerWaalsContact C-N 3.27Å; Q112-F114 PolarHBondContact O-N 3.45Å; F114-G116 PolarHBondContact O-N 3.48Å; F114-R117 HydrophobicContact CB-CB 4.36Å; F114-R117 VanDerWaalsContact O-CB 3.29Å; F114-R117 WeakPolarHBondContact O-CB 3.29Å; F114-R117 VanDerWaalsContact O-CG 3.28Å; F114-R117 WeakPolarHBondContact O-CG 3.4Å; F114-R117 PolarHBondContact O-N 3.24Å; F114-R117 PolarHBondContact O-NE 3.03Å; F114-Y118 HydrophobicContact CB-CD2 3.5Å; F114-Y118 HydrophobicContact CB-CE2 3.93Å; F114-Y118 AromaticContact CD1-CD2 4Å; F114-Y118 HydrophobicContact CD1-CD2 4Å; F114-Y118 AromaticContact CD1-CE2 3.72Å; F114-Y118 HydrophobicContact CD1-CE2 3.72Å; F114-Y118 AromaticContact CD2-CD2 3.67Å; F114-Y118 HydrophobicContact CD2-CD2 3.67Å; F114-Y118 HydrophobicContact CD2-CE2 4.2Å; F114-Y118 HydrophobicContact CE1-CE2 4.29Å; F114-Y118 HydrophobicContact CE2-CD2 4.41Å; F114-Y118 AromaticContact CG-CD2 3.44Å; F114-Y118 HydrophobicContact CG-CD2 3.44Å; F114-Y118 VanDerWaalsContact CG-CD2 3.44Å; F114-Y118 AromaticContact CG-CE2 3.67Å; F114-Y118 HydrophobicContact CG-CE2 3.67Å
115N81.6Confident68.6Low151 Ų15198.1 Ų98.181%0.80750%0.496SS*.THydrogen-bonded Turntrans52.738.3177.7-63.980.3000113.2R111 Q112 R117R111-N115 PolarHBondContact O-N 3.04Å; Q112-N115 PolarHBondContact O-N 2.73Å; N115-R117 VanDerWaalsContact C-N 3.3Å; N115-R117 PolarHBondContact O-N 2.97Å
116G76.2Confident67.1Low37 Ų37105.3 Ų105.338%0.38153%0.531SS..THydrogen-bonded Turntrans78.75.217900000115.5R111 F114 Y118R111-G116 PolarHBondContact O-N 3.2Å; F114-G116 PolarHBondContact O-N 3.48Å; G116-Y118 PolarHBondContact O-N 3.01Å
117R71.9Confident65.2Low180 Ų180109.2 Ų109.268%0.67959%0.588SS**SBendtrans-66.7-23.3178.1-69.8-171.6-67.3171.4-2.9114F114 N115F114-R117 HydrophobicContact CB-CB 4.36Å; F114-R117 VanDerWaalsContact O-CB 3.29Å; F114-R117 WeakPolarHBondContact O-CB 3.29Å; F114-R117 VanDerWaalsContact O-CG 3.28Å; F114-R117 WeakPolarHBondContact O-CG 3.4Å; F114-R117 PolarHBondContact O-N 3.24Å; F114-R117 PolarHBondContact O-NE 3.03Å; N115-R117 VanDerWaalsContact C-N 3.3Å; N115-R117 PolarHBondContact O-N 2.97Å
118Y65.3Low64.9Low95 Ų95111.2 Ų111.237%0.37360%0.601SS.*  trans-125.8136177.7-55.1-65.1000109.8W98 L110 F114 G116W98-Y118 HydrophobicContact CH2-CD2 4.47Å; W98-Y118 HydrophobicContact CH2-CE2 4.33Å; L110-Y118 HydrophobicContact CD1-CD2 4.4Å; L110-Y118 HydrophobicContact CD1-CG 4.45Å; F114-Y118 HydrophobicContact CB-CD2 3.5Å; F114-Y118 HydrophobicContact CB-CE2 3.93Å; F114-Y118 AromaticContact CD1-CD2 4Å; F114-Y118 HydrophobicContact CD1-CD2 4Å; F114-Y118 AromaticContact CD1-CE2 3.72Å; F114-Y118 HydrophobicContact CD1-CE2 3.72Å; F114-Y118 AromaticContact CD2-CD2 3.67Å; F114-Y118 HydrophobicContact CD2-CD2 3.67Å; F114-Y118 HydrophobicContact CD2-CE2 4.2Å; F114-Y118 HydrophobicContact CE1-CE2 4.29Å; F114-Y118 HydrophobicContact CE2-CD2 4.41Å; F114-Y118 AromaticContact CG-CD2 3.44Å; F114-Y118 HydrophobicContact CG-CD2 3.44Å; F114-Y118 VanDerWaalsContact CG-CD2 3.44Å; F114-Y118 AromaticContact CG-CE2 3.67Å; F114-Y118 HydrophobicContact CG-CE2 3.67Å; G116-Y118 PolarHBondContact O-N 3.01Å
119T66.8Low64.2Low93 Ų93111.5 Ų111.557%0.57160%0.603SS**  trans-131.4142.9174.554.20000108.8
120L64.5Low63.6Low38 Ų38114.7 Ų114.720%0.19962%0.618CS.*  trans-83.6124.8164.3-73166.3000106.6V96 W98 Q107 L110 E122V96-L120 HydrophobicContact CG1-CD2 4.15Å; W98-L120 HydrophobicContact CB-CD2 4.47Å; Q107-L120 HydrophobicContact CB-CB 4.42Å; Q107-L120 HydrophobicContact CB-CD1 4.12Å; Q107-L120 HydrophobicContact CG-CB 4.37Å; L110-L120 HydrophobicContact CD2-CG 3.95Å; L120-E122 PolarHBondContact O-N 3.41Å
121V62.7Low63Low114 Ų114121.3 Ų121.369%0.69165%0.653SS**  trans-81.2110.8175.1-178.90000106.8L30L30-V121 HydrophobicContact CD2-CG2 4.43Å
122E57.4Low62.1Low133 Ų133119.3 Ų119.362%0.62166%0.658SS**  trans-67.5135.6167.9-66.7178.5-16200108.3Q107 L120 E124Q107-E122 PolarHBondContact NE2-OE1 3.2Å; Q107-E122 PolarHBondContact OE1-OE1 3.29Å; Q107-E122 VanDerWaalsContact OE1-OE1 3.06Å; L120-E122 PolarHBondContact O-N 3.41Å; E122-E124 PolarHBondContact O-N 3.33Å
123S48.7Very low60.7Low116 Ų116117.2 Ų117.281%0.81166%0.655SS**  trans-66.1116.8164.5-74.60000107.1E125S123-E125 PolarHBondContact O-N 2.7Å
124E44.4Very low59.3Low187 Ų187120.6 Ų120.687%0.87467%0.671SS**  trans-63.9101.5163.3-66.7-172.5168.200107.1E122 Q126E122-E124 PolarHBondContact O-N 3.33Å; E124-Q126 VanDerWaalsContact C-N 3.33Å; E124-Q126 PolarHBondContact O-N 3.03Å
125E45.4Very low57.8Low183 Ų183128.2 Ų128.286%0.85572%0.716SS**  trans-61.6104.1157.7-87.7-175.3155.300105.9S123 G127S123-E125 PolarHBondContact O-N 2.7Å; E125-G127 PolarHBondContact O-N 3.29Å
126Q33.9Very low55.8Low189 Ų189126.3 Ų126.388%0.88371%0.708SS**  trans-59110159.3-84.3-177.5-16.100106.5E124E124-Q126 VanDerWaalsContact C-N 3.33Å; E124-Q126 PolarHBondContact O-N 3.03Å
127G32.8Very low54Low151 Ų151134.5 Ų134.5100%1.55774%0.738SS**  trans-62.50175.700000113.5E125E125-G127 PolarHBondContact O-N 3.29Å

Retrieved 127 of 127 residues in 118.1 ms (Link to these results)