A0A087YMD7_POEFO Loading...

Hairy-related 9

AlphaFold DB , UniProt , Accession A0A087YMD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 287 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
1M34.1Very low45Very low239 Ų239147 Ų147100%1.17781%0.81SS**  0142.80-77.4-70.316600107.7
2P50.5Low44.9Very low116 Ų116144.1 Ų144.175%0.75381%0.807SS**  -106.7171.6-120.838.6-35.3000115.9
3A44.9Very low45.4Very low89 Ų89142.3 Ų142.374%0.73681%0.806SS**  trans47.4127.8146.500000120
4D42.6Very low45.1Very low134 Ų134144.3 Ų144.372%0.71781%0.81SS**  -160.5144.5103.4-128.6-62000113.8M6D4-M6 WeakPolarHBondContact OD1-CE 3.45Å
5T48.5Very low44.9Very low109 Ų109141.5 Ų141.567%0.66981%0.813SS**  trans-76162.1175.337.10000111.7
6M50.2Low44.5Very low159 Ų159137.6 Ų137.678%0.78381%0.813SS**  147.1131109.871-159.590.400115.2D4D4-M6 WeakPolarHBondContact OD1-CE 3.45Å
7E45.6Very low44.5Very low166 Ų166135.2 Ų135.278%0.77681%0.813SS**  trans-53.5152.2174.7-78.6166.652.700114.5
8K47.5Very low45.3Very low207 Ų207134.8 Ų134.890%0.981%0.813SS**  trans-145.2109.7142.5-160166.5-178-178.20111.8
9Q44.6Very low45.1Very low163 Ų163133.3 Ų133.376%0.76282%0.817SS**  trans-66.8143.3161.1-66.4169.8-9.200110
10T46.2Very low45Very low145 Ų145135.1 Ų135.189%0.8982%0.821SS**  trans-148.6146.9147-146.20000110.7
11A40.7Very low44.8Very low90 Ų90132.1 Ų132.174%0.74482%0.818SS**  trans-86.4159.4-156.600000115.7
12S44.1Very low45.3Very low112 Ų112125.9 Ų125.978%0.78380%0.798SS**  trans-44.1174.8153.9-46.80000113.2
13P50.8Low45Very low121 Ų121128.3 Ų128.379%0.78680%0.799SS**  cis-149.217524.140.2-18.2000116.9
14I41.3Very low45.2Very low170 Ų170129.8 Ų129.887%0.87280%0.799SS**  trans-162.6139.2134-158.171.9000110.6
15A42.7Very low46.1Very low102 Ų102128.5 Ų128.584%0.84380%0.798SS**  trans-83.8157.9-174.300000113.5
16G38.3Very low46Very low80 Ų80130 Ų13083%0.82580%0.801SS**  trans173.792.5164.900000111.9
17A45Very low46Very low97 Ų97130.3 Ų130.380%0.80280%0.798SS**  trans-90.8-174169.800000110.6
18P59Low46.4Very low127 Ų127127.3 Ų127.383%0.82579%0.794SS**  -110.3168-98.734.7-18.6000113.2
19A40.9Very low46.7Very low106 Ų106124.9 Ų124.988%0.87678%0.783SS**  trans-145.6123.2163.200000112.5
20N42.9Very low47.2Very low170 Ų170123 Ų12391%0.90978%0.778SS**  trans-83.1149.3175.2-173.626.2000110.4
21G40Very low47.6Very low73 Ų73118.9 Ų118.975%0.75376%0.759SS**  trans-177.576.3179.400000115.6
22S45Very low48.3Very low107 Ų107117.6 Ų117.675%0.74874%0.744SS**  trans7.2162.7153.2-159.60000124.5
23H44.4Very low48.7Very low168 Ų168118.8 Ų118.878%0.77874%0.737SS**  trans93.1119.9168.1-93.7-101.7000116.6
24T49.9Very low48.9Very low120 Ų120119.7 Ų119.774%0.73673%0.731SS**  cis-160.516532.424.40000113.5
25P60.1Low49.6Very low107 Ų107121.4 Ų121.470%0.69573%0.727SS**  trans-86.9177.4-17537.5-35.5000114.1
26D46.5Very low50.4Low139 Ų139123.9 Ų123.974%0.74372%0.718SS**  trans96.786171.9-75-70.7000119.6
27K51Low51.4Low166 Ų166122.8 Ų122.872%0.72270%0.698SS**  -155.6111.7129.3-154.175.572.2-170.40113K29K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 HydrophobicContact CB-CG 4.29Å; K27-K29 HydrophobicContact CG-CD 4.25Å; K27-K29 HydrophobicContact CG-CG 3.49Å; K27-K29 VanDerWaalsContact CG-CG 3.49Å; K27-K29 PolarHBondContact O-N 3.42Å
28P53.5Low52.5Low104 Ų104120.6 Ų120.668%0.67568%0.677SS**  trans-81.679.7167.733.5-30.3000109N30P28-N30 PolarHBondContact O-N 3.12Å
29K54.6Low53.5Low156 Ų156122.6 Ų122.668%0.67867%0.673SS**THydrogen-bonded Turntrans-75.8-6.3173.2-68.5-164177.8178.50114K27K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 HydrophobicContact CB-CG 4.29Å; K27-K29 HydrophobicContact CG-CD 4.25Å; K27-K29 HydrophobicContact CG-CG 3.49Å; K27-K29 VanDerWaalsContact CG-CG 3.49Å; K27-K29 PolarHBondContact O-N 3.42Å
30N55.2Low55.7Low123 Ų123121.4 Ų121.466%0.65866%0.656SS**THydrogen-bonded Turntrans-103.8-1.9-169-61-14.9000115.1P28 H34P28-N30 PolarHBondContact O-N 3.12Å; N30-H34 WeakPolarHBondContact O-CB 3.47Å; N30-H34 PolarHBondContact O-N 2.75Å
31A53.5Low57.9Low59 Ų59118.6 Ų118.649%0.48864%0.64SS.*Hα-helixtrans-75.6-34.2-18000000112.8R35A31-R35 WeakPolarHBondContact O-CG 3.49Å; A31-R35 PolarHBondContact O-N 2.89Å
32S54.8Low60.3Low63 Ų63120.6 Ų120.644%0.44163%0.631SS.*Hα-helixtrans-76.8-34.6-179.487.50000112.3R35 K36S32-R35 PolarHBondContact O-N 2.66Å; S32-K36 VanDerWaalsContact O-CD 3.24Å; S32-K36 WeakPolarHBondContact O-CD 3.25Å; S32-K36 WeakPolarHBondContact O-CG 3.42Å; S32-K36 PolarHBondContact O-N 3.34Å; S32-K36 VanDerWaalsContact O-N 3.1Å
33E53.2Low62.7Low136 Ų136118.5 Ų118.564%0.63661%0.609SS**Hα-helixtrans-72.8-36.3178.5-146.7176.5122.500111.6K36 S37E33-K36 PolarHBondContact O-N 2.85Å; E33-S37 WeakPolarHBondContact O-CB 3.47Å; E33-S37 PolarHBondContact O-N 2.88Å; E33-S37 PolarHBondContact O-OG 2.72Å
34H54.5Low65Low140 Ų140118.2 Ų118.265%0.64861%0.605SS**Hα-helixtrans-66.2-37.1173.5-159.377.7000112.4N30 S37 S38N30-H34 WeakPolarHBondContact O-CB 3.47Å; N30-H34 PolarHBondContact O-N 2.75Å; H34-S37 WeakPolarHBondContact CA-OG 3.32Å; H34-S37 PolarHBondContact O-OG 3.46Å; H34-S38 VanDerWaalsContact O-CB 3.22Å; H34-S38 WeakPolarHBondContact O-CB 3.4Å; H34-S38 PolarHBondContact O-N 3.27Å
35R57.4Low67.2Low207 Ų207120.9 Ų120.978%0.78160%0.602SS**Hα-helixtrans-71.4-31.8174.2-73.7-177.1-178.8-174.71.5113.1A31 S32A31-R35 WeakPolarHBondContact O-CG 3.49Å; A31-R35 PolarHBondContact O-N 2.89Å; S32-R35 PolarHBondContact O-N 2.66Å
36K58.4Low69Low154 Ų154122.3 Ų122.367%0.6759%0.594SS**Hα-helixtrans-75.9-32.9176.1-67.7161.2-175.8174.50112.4S32 E33 P40S32-K36 VanDerWaalsContact O-CD 3.24Å; S32-K36 WeakPolarHBondContact O-CD 3.25Å; S32-K36 WeakPolarHBondContact O-CG 3.42Å; S32-K36 PolarHBondContact O-N 3.34Å; S32-K36 VanDerWaalsContact O-N 3.1Å; E33-K36 PolarHBondContact O-N 2.85Å; K36-P40 WeakPolarHBondContact O-CD 3.41Å
37S60.5Low71.4Confident56 Ų56120.4 Ų120.439%0.39258%0.576SS.*Hα-helixtrans-90.8-14.8178.957.40000114.9E33 H34 K39 P40 I41E33-S37 WeakPolarHBondContact O-CB 3.47Å; E33-S37 PolarHBondContact O-N 2.88Å; E33-S37 PolarHBondContact O-OG 2.72Å; H34-S37 WeakPolarHBondContact CA-OG 3.32Å; H34-S37 PolarHBondContact O-OG 3.46Å; S37-K39 PolarHBondContact O-N 2.83Å; S37-P40 WeakPolarHBondContact O-CD 3.41Å; S37-P40 WeakPolarHBondContact O-CG 3.4Å; S37-I41 WeakPolarHBondContact O-CG2 3.38Å; S37-I41 PolarHBondContact O-N 3.23Å
38S66.3Low73.6Confident52 Ų52115.3 Ų115.336%0.36457%0.565SS.*Hα-helixtrans-64.3-36177.9-179.50000113.7H34 I41 M42H34-S38 VanDerWaalsContact O-CB 3.22Å; H34-S38 WeakPolarHBondContact O-CB 3.4Å; H34-S38 PolarHBondContact O-N 3.27Å; S38-I41 WeakPolarHBondContact O-CG2 3.48Å; S38-M42 WeakPolarHBondContact O-CB 3.26Å; S38-M42 WeakPolarHBondContact O-CG 3.46Å; S38-M42 PolarHBondContact O-N 3.16Å; S38-M42 VanDerWaalsContact O-N 3.11Å
39K81.4Confident75.7Confident169 Ų169119.3 Ų119.374%0.73557%0.567SS**Hα-helixtrans-66-50.3176.2-65.9-177.6179.7-178.20113S37 I41 M42 E43S37-K39 PolarHBondContact O-N 2.83Å; K39-I41 PolarHBondContact O-N 3.4Å; K39-M42 PolarHBondContact O-N 3.45Å; K39-E43 PolarHBondContact O-N 3.12Å
40P87.1Confident77.7Confident80 Ų80114.8 Ų114.852%0.51955%0.549SS..Hα-helixtrans-65.4-33.5178.820.9-30.9000113.5K36 S37 K44K36-P40 WeakPolarHBondContact O-CD 3.41Å; S37-P40 WeakPolarHBondContact O-CD 3.41Å; S37-P40 WeakPolarHBondContact O-CG 3.4Å; P40-K44 WeakPolarHBondContact O-CB 3.39Å; P40-K44 PolarHBondContact O-N 2.92Å
41I87.6Confident79.7Confident112 Ų112112.7 Ų112.757%0.57454%0.538SS*.Hα-helixtrans-67.8-39174.7-169.7169.7000112.2S37 S38 K39 K44 R45S37-I41 WeakPolarHBondContact O-CG2 3.38Å; S37-I41 PolarHBondContact O-N 3.23Å; S38-I41 WeakPolarHBondContact O-CG2 3.48Å; K39-I41 PolarHBondContact O-N 3.4Å; I41-K44 PolarHBondContact O-N 2.78Å; I41-R45 PolarHBondContact O-N 3.28Å
42M92.2Very high81.8Confident114 Ų114115 Ų11556%0.56254%0.539SS*.Hα-helixtrans-65.8-42.1176.5-72.9-63.5-69.200112S38 K39 R45 R46S38-M42 WeakPolarHBondContact O-CB 3.26Å; S38-M42 WeakPolarHBondContact O-CG 3.46Å; S38-M42 PolarHBondContact O-N 3.16Å; S38-M42 VanDerWaalsContact O-N 3.11Å; K39-M42 PolarHBondContact O-N 3.45Å; M42-R45 PolarHBondContact O-N 3.11Å; M42-R46 PolarHBondContact O-N 3.16Å
43E93.7Very high83.8Confident64 Ų64114.9 Ų114.930%0.29954%0.538SS..Hα-helixtrans-66.4-38.7175.4175.558-173.400111.7K39 R45 R46 R47K39-E43 PolarHBondContact O-N 3.12Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.21Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH1 3.24Å; E43-R46 PolarHBondContact OE1-NH1 2.9Å; E43-R46 WeakPolarHBondContact OE2-CD 3.47Å; E43-R46 IonicContact OE2-CZ 3.99Å; E43-R46 IonicContact OE2-NH1 3.08Å; E43-R46 PolarHBondContact OE2-NH1 3.39Å; E43-R46 VanDerWaalsContact OE2-NH1 3.08Å; E43-R47 HydrophobicContact CG-CG 4.45Å; E43-R47 WeakPolarHBondContact O-CB 3.35Å; E43-R47 WeakPolarHBondContact O-CG 3.38Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R47 WeakPolarHBondContact OE1-CG 3.49Å; E43-R47 IonicContact OE1-CZ 3.58Å; E43-R47 IonicContact OE1-NE 2.78Å; E43-R47 PolarHBondContact OE1-NE 2.94Å; E43-R47 IonicContact OE1-NH2 3.57Å
44K94.6Very high85.8Confident161 Ų161109.5 Ų109.570%0.751%0.513SS*.Hα-helixtrans-57.8-44.8171.9-173.8176.3-178.7178.10111.3P40 I41 R47 A48P40-K44 WeakPolarHBondContact O-CB 3.39Å; P40-K44 PolarHBondContact O-N 2.92Å; I41-K44 PolarHBondContact O-N 2.78Å; K44-R47 PolarHBondContact O-N 3.3Å; K44-A48 PolarHBondContact O-N 3.36Å
45R94.9Very high87.8Confident177 Ų177106 Ų10667%0.66851%0.505SS*.Hα-helixtrans-64.7-40.7176.3-169.4176.2-176.1-1791.5112.1I41 M42 E43 A48 R49I41-R45 PolarHBondContact O-N 3.28Å; M42-R45 PolarHBondContact O-N 3.11Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.21Å; R45-A48 PolarHBondContact O-N 2.95Å; R45-R49 WeakPolarHBondContact O-CG 3.4Å; R45-R49 PolarHBondContact O-N 3Å; R45-R49 VanDerWaalsContact O-N 3.09Å
46R97.4Very high89.6Confident136 Ų136101.1 Ų101.151%0.51349%0.49SS..Hα-helixtrans-60.8-48174.8177.4176.7164.2-83-5.4111.4M42 E43 A48 R49 I50M42-R46 PolarHBondContact O-N 3.16Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH1 3.24Å; E43-R46 PolarHBondContact OE1-NH1 2.9Å; E43-R46 WeakPolarHBondContact OE2-CD 3.47Å; E43-R46 IonicContact OE2-CZ 3.99Å; E43-R46 IonicContact OE2-NH1 3.08Å; E43-R46 PolarHBondContact OE2-NH1 3.39Å; E43-R46 VanDerWaalsContact OE2-NH1 3.08Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-A48 PolarHBondContact O-N 3.28Å; R46-R49 WeakPolarHBondContact O-CB 3.19Å; R46-R49 PolarHBondContact O-N 3.49Å; R46-I50 HydrophobicContact CG-CD1 4.02Å; R46-I50 WeakPolarHBondContact O-CG1 3.43Å; R46-I50 PolarHBondContact O-N 3.39Å
47R97.3Very high91.4Very high100 Ų10096 Ų9638%0.37747%0.471SS..Hα-helixtrans-61.2-41.3177.8-71.4176.4-178.2-169.9-2.5112.4E43 K44 R49 I50 N51E43-R47 HydrophobicContact CG-CG 4.45Å; E43-R47 WeakPolarHBondContact O-CB 3.35Å; E43-R47 WeakPolarHBondContact O-CG 3.38Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R47 WeakPolarHBondContact OE1-CG 3.49Å; E43-R47 IonicContact OE1-CZ 3.58Å; E43-R47 IonicContact OE1-NE 2.78Å; E43-R47 PolarHBondContact OE1-NE 2.94Å; E43-R47 IonicContact OE1-NH2 3.57Å; K44-R47 PolarHBondContact O-N 3.3Å; R47-R49 PolarHBondContact O-N 3.44Å; R47-I50 PolarHBondContact O-N 3.07Å; R47-N51 PolarHBondContact O-N 3.2Å
48A97.1Very high93.1Very high59 Ų5995.3 Ų95.349%0.48846%0.46SS..Hα-helixtrans-59.1-46.5174.800000111.5K44 R45 R46 I50 N51 E52K44-A48 PolarHBondContact O-N 3.36Å; R45-A48 PolarHBondContact O-N 2.95Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-A48 PolarHBondContact O-N 3.28Å; A48-I50 PolarHBondContact O-N 3.15Å; A48-N51 PolarHBondContact O-N 3.33Å; A48-E52 WeakPolarHBondContact O-CB 3.38Å; A48-E52 PolarHBondContact O-N 2.88Å
49R98Very high94.4Very high188 Ų18897.1 Ų97.171%0.70947%0.469SS*.Hα-helixtrans-60.5-42.7176.2-70176.565-158.8-1.3112.9R45 R46 R47 E52 S53R45-R49 WeakPolarHBondContact O-CG 3.4Å; R45-R49 PolarHBondContact O-N 3Å; R45-R49 VanDerWaalsContact O-N 3.09Å; R46-R49 WeakPolarHBondContact O-CB 3.19Å; R46-R49 PolarHBondContact O-N 3.49Å; R47-R49 PolarHBondContact O-N 3.44Å; R49-E52 PolarHBondContact O-N 3.42Å; R49-S53 PolarHBondContact O-N 2.98Å; R49-S53 PolarHBondContact O-OG 3.49Å
50I96.8Very high95.1Very high61 Ų6194.6 Ų94.631%0.31346%0.463SS..Hα-helixtrans-63-47.6178.3-68.9167.8000110.5R46 R47 A48 E52 S53 L54R46-I50 HydrophobicContact CG-CD1 4.02Å; R46-I50 WeakPolarHBondContact O-CG1 3.43Å; R46-I50 PolarHBondContact O-N 3.39Å; R47-I50 PolarHBondContact O-N 3.07Å; A48-I50 PolarHBondContact O-N 3.15Å; I50-E52 VanDerWaalsContact C-N 3.34Å; I50-E52 PolarHBondContact O-N 2.89Å; I50-S53 PolarHBondContact O-N 2.89Å; I50-S53 PolarHBondContact O-OG 3.31Å; I50-L54 HydrophobicContact CG2-CD1 4.2Å; I50-L54 PolarHBondContact O-N 3.33Å
51N96.7Very high95.5Very high79 Ų7991.4 Ų91.442%0.42244%0.441SS..Hα-helixtrans-65.4-38.2-179.7-70.9-20000112.1R47 A48 L54 S55 K77R47-N51 PolarHBondContact O-N 3.2Å; A48-N51 PolarHBondContact O-N 3.33Å; N51-L54 PolarHBondContact O-N 2.86Å; N51-S55 PolarHBondContact O-N 3.16Å; N51-K77 PolarHBondContact OD1-NZ 3.46Å
52E97.4Very high95.8Very high107 Ų10786.4 Ų86.450%0.542%0.416SS..Hα-helixtrans-59-51173.3-177.658.1-144.300110.9A48 R49 I50 L54 S55 Q56A48-E52 WeakPolarHBondContact O-CB 3.38Å; A48-E52 PolarHBondContact O-N 2.88Å; R49-E52 PolarHBondContact O-N 3.42Å; I50-E52 VanDerWaalsContact C-N 3.34Å; I50-E52 PolarHBondContact O-N 2.89Å; E52-L54 VanDerWaalsContact C-N 3.3Å; E52-L54 PolarHBondContact O-N 3.45Å; E52-S55 WeakPolarHBondContact O-CB 3.35Å; E52-S55 PolarHBondContact O-N 2.89Å; E52-S55 VanDerWaalsContact O-N 3.12Å; E52-Q56 WeakPolarHBondContact O-CG 3.49Å; E52-Q56 PolarHBondContact O-N 2.94Å; E52-Q56 PolarHBondContact OE1-NE2 3.41Å
53S97.1Very high95.9Very high61 Ų6187 Ų8743%0.42742%0.421SS..Hα-helixtrans-61.9-35.6178.664.80000113.1R49 I50 L57R49-S53 PolarHBondContact O-N 2.98Å; R49-S53 PolarHBondContact O-OG 3.49Å; I50-S53 PolarHBondContact O-N 2.89Å; I50-S53 PolarHBondContact O-OG 3.31Å; S53-L57 VanDerWaalsContact O-CB 3.23Å; S53-L57 WeakPolarHBondContact O-CB 3.31Å; S53-L57 PolarHBondContact O-N 2.99Å
54L96.1Very high95.8Very high23 Ų2386.7 Ų86.712%0.1243%0.43CS..Hα-helixtrans-68.4-37.3174.9-83.9172.6000112.5I50 N51 E52 L57 K58 K77 I80 L81I50-L54 HydrophobicContact CG2-CD1 4.2Å; I50-L54 PolarHBondContact O-N 3.33Å; N51-L54 PolarHBondContact O-N 2.86Å; E52-L54 VanDerWaalsContact C-N 3.3Å; E52-L54 PolarHBondContact O-N 3.45Å; L54-L57 PolarHBondContact O-N 3.17Å; L54-K58 WeakPolarHBondContact O-CB 3.38Å; L54-K58 PolarHBondContact O-N 3.43Å; L54-K77 HydrophobicContact CD1-CD 3.97Å; L54-K77 HydrophobicContact CD1-CG 4.1Å; L54-I80 HydrophobicContact CD2-CG2 4.17Å; L54-L81 HydrophobicContact CD2-CD2 3.96Å; L54-L81 HydrophobicContact CD2-CG 4.31Å
55S94.9Very high95.6Very high66 Ų6682.7 Ų82.746%0.46242%0.416SS..Hα-helixtrans-64-47.4175-172.50000111N51 E52 L57 K58 T59N51-S55 PolarHBondContact O-N 3.16Å; E52-S55 WeakPolarHBondContact O-CB 3.35Å; E52-S55 PolarHBondContact O-N 2.89Å; E52-S55 VanDerWaalsContact O-N 3.12Å; S55-L57 PolarHBondContact O-N 3.45Å; S55-K58 WeakPolarHBondContact O-CB 3.49Å; S55-K58 PolarHBondContact O-N 3.21Å; S55-T59 PolarHBondContact O-N 2.86Å; S55-T59 VanDerWaalsContact O-N 3.12Å; S55-T59 PolarHBondContact O-OG1 2.93Å
56Q96.2Very high95.4Very high104 Ų10483.6 Ų83.649%0.48642%0.424SS..Hα-helixtrans-60.3-45.7175.6-68175.9-4.500111.5E52 K58 T59 L60E52-Q56 WeakPolarHBondContact O-CG 3.49Å; E52-Q56 PolarHBondContact O-N 2.94Å; E52-Q56 PolarHBondContact OE1-NE2 3.41Å; Q56-K58 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.47Å; Q56-T59 PolarHBondContact O-N 2.99Å; Q56-L60 WeakPolarHBondContact O-CG 3.28Å; Q56-L60 PolarHBondContact O-N 2.82Å
57L96.7Very high94.9Very high48 Ų4881.6 Ų81.625%0.25142%0.42SS..Hα-helixtrans-60.5-43.8178.5-175.960.7000111.8S53 L54 S55 T59 L60 I61 I80 L81 T84S53-L57 VanDerWaalsContact O-CB 3.23Å; S53-L57 WeakPolarHBondContact O-CB 3.31Å; S53-L57 PolarHBondContact O-N 2.99Å; L54-L57 PolarHBondContact O-N 3.17Å; S55-L57 PolarHBondContact O-N 3.45Å; L57-T59 PolarHBondContact O-N 2.88Å; L57-L60 PolarHBondContact O-N 3.45Å; L57-I61 HydrophobicContact CD1-CG1 4.01Å; L57-I61 HydrophobicContact CG-CG1 4.35Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.16Å; L57-I61 PolarHBondContact O-N 2.95Å; L57-I80 HydrophobicContact CD2-CG2 4.27Å; L57-I80 HydrophobicContact CG-CG2 4.27Å; L57-L81 HydrophobicContact CD2-CD2 4.43Å; L57-T84 HydrophobicContact CD1-CG2 3.79Å; L57-T84 HydrophobicContact CD2-CG2 4.07Å; L57-T84 WeakPolarHBondContact CD2-OG1 3.41Å; L57-T84 HydrophobicContact CG-CG2 4.3Å; L57-T84 WeakPolarHBondContact CG-OG1 3.34Å
58K95Very high94.3Very high41 Ų4181.4 Ų81.418%0.17843%0.426CS..Hα-helixtrans-55.6-50.2174.4175-178.9176.6173.30111.3L54 S55 Q56 I61 L62 H72 S73 L75 I80L54-K58 WeakPolarHBondContact O-CB 3.38Å; L54-K58 PolarHBondContact O-N 3.43Å; S55-K58 WeakPolarHBondContact O-CB 3.49Å; S55-K58 PolarHBondContact O-N 3.21Å; Q56-K58 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.47Å; K58-I61 PolarHBondContact O-N 2.96Å; K58-L62 HydrophobicContact CG-CD1 3.81Å; K58-L62 HydrophobicContact CG-CG 4.42Å; K58-L62 WeakPolarHBondContact O-CB 3.28Å; K58-L62 WeakPolarHBondContact O-CG 2.94Å; K58-L62 PolarHBondContact O-N 3.39Å; K58-H72 WeakPolarHBondContact CE-O 3.43Å; K58-H72 PolarHBondContact NZ-O 3.4Å; K58-S73 PolarHBondContact NZ-O 3.46Å; K58-L75 HydrophobicContact CD-CD1 4.46Å; K58-L75 HydrophobicContact CG-CD1 4.22Å; K58-I80 HydrophobicContact CB-CD1 4.06Å; K58-I80 HydrophobicContact CB-CG1 4.18Å; K58-I80 HydrophobicContact CB-CG2 4.18Å; K58-I80 HydrophobicContact CD-CD1 4.1Å; K58-I80 HydrophobicContact CD-CG1 4.45Å; K58-I80 HydrophobicContact CG-CD1 4.41Å; K58-I80 HydrophobicContact CG-CG1 4.37Å
59T94.7Very high93.6Very high90 Ų9082.6 Ų82.655%0.55243%0.431SS*.Hα-helixtrans-60.2-49.8-179.9-58.60000111.6S55 Q56 L57 I61 L62 D63S55-T59 PolarHBondContact O-N 2.86Å; S55-T59 VanDerWaalsContact O-N 3.12Å; S55-T59 PolarHBondContact O-OG1 2.93Å; Q56-T59 PolarHBondContact O-N 2.99Å; L57-T59 PolarHBondContact O-N 2.88Å; T59-I61 VanDerWaalsContact C-N 3.32Å; T59-I61 PolarHBondContact O-N 3.37Å; T59-L62 PolarHBondContact O-N 2.99Å; T59-D63 WeakPolarHBondContact O-CB 3.43Å; T59-D63 PolarHBondContact O-N 2.95Å
60L95.8Very high92.7Very high115 Ų11578.1 Ų78.160%0.60243%0.428SS*.Hα-helixtrans-59.7-41.5180-70.2173.5000112.4Q56 L57 A64Q56-L60 WeakPolarHBondContact O-CG 3.28Å; Q56-L60 PolarHBondContact O-N 2.82Å; L57-L60 PolarHBondContact O-N 3.45Å; L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 3.28Å
61I95.4Very high91.9Very high13 Ų1384.2 Ų84.27%0.06745%0.447CS..Hα-helixtrans-72-40.1-179-68.3-64.7000111.9L57 K58 T59 D63 L65 M83 T84 H87L57-I61 HydrophobicContact CD1-CG1 4.01Å; L57-I61 HydrophobicContact CG-CG1 4.35Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.16Å; L57-I61 PolarHBondContact O-N 2.95Å; K58-I61 PolarHBondContact O-N 2.96Å; T59-I61 VanDerWaalsContact C-N 3.32Å; T59-I61 PolarHBondContact O-N 3.37Å; I61-D63 VanDerWaalsContact C-N 3.33Å; I61-L65 HydrophobicContact CG2-CD1 3.74Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 VanDerWaalsContact O-CB 3.28Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 2.96Å; I61-M83 HydrophobicContact CG2-CB 3.92Å; I61-M83 HydrophobicContact CG2-CE 4.09Å; I61-T84 HydrophobicContact CD1-CG2 4.18Å; I61-T84 WeakPolarHBondContact CG1-OG1 3.49Å; I61-H87 HydrophobicContact CD1-CB 4.01Å
62L94.1Very high91.3Very high8 Ų881.6 Ų81.64%0.04243%0.432CS..Hα-helixtrans-65.1-40.8176.3-67.8174.6000111.3K58 T59 L65 K66 K67 H72 L75 M83K58-L62 HydrophobicContact CG-CD1 3.81Å; K58-L62 HydrophobicContact CG-CG 4.42Å; K58-L62 WeakPolarHBondContact O-CB 3.28Å; K58-L62 WeakPolarHBondContact O-CG 2.94Å; K58-L62 PolarHBondContact O-N 3.39Å; T59-L62 PolarHBondContact O-N 2.99Å; L62-L65 CarbonylContact O-C 3.59Å; L62-L65 PolarHBondContact O-N 3.01Å; L62-K66 PolarHBondContact O-N 3.35Å; L62-K67 HydrophobicContact CD2-CB 3.85Å; L62-K67 HydrophobicContact CD2-CG 4.06Å; L62-K67 PolarHBondContact O-N 3.28Å; L62-H72 HydrophobicContact CD1-CB 3.69Å; L62-H72 HydrophobicContact CD2-CB 3.59Å; L62-H72 VanDerWaalsContact CD2-CG 3.46Å; L62-H72 WeakPolarHBondContact CD2-ND1 3.5Å; L62-H72 HydrophobicContact CG-CB 4.31Å; L62-L75 HydrophobicContact CD2-CD1 4.29Å; L62-M83 HydrophobicContact CD2-CE 4.16Å
63D93Very high90.7Very high126 Ų12680.6 Ų80.667%0.67444%0.437SS*.Hα-helixtrans-64.6-50.4175.7-171.645.1000111.6T59 I61 L65 K66T59-D63 WeakPolarHBondContact O-CB 3.43Å; T59-D63 PolarHBondContact O-N 2.95Å; I61-D63 VanDerWaalsContact C-N 3.33Å; D63-L65 PolarHBondContact O-N 3.13Å; D63-K66 PolarHBondContact O-N 3.42Å
64A92.4Very high90.1Very high57 Ų5786.9 Ų86.947%0.47146%0.457SS..Hα-helixtrans-60.5-32.2178.400000113.3L60L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 3.28Å
65L90.9Very high89.6Confident77 Ų7787.4 Ų87.440%0.40346%0.46SS..THydrogen-bonded Turntrans-921.5177.1-63.9175.6000113.4I61 L62 D63 K67 M83I61-L65 HydrophobicContact CG2-CD1 3.74Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 VanDerWaalsContact O-CB 3.28Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 2.96Å; L62-L65 CarbonylContact O-C 3.59Å; L62-L65 PolarHBondContact O-N 3.01Å; D63-L65 PolarHBondContact O-N 3.13Å; L65-K67 HydrophobicContact CB-CB 4.43Å; L65-K67 PolarHBondContact O-N 3.38Å; L65-M83 HydrophobicContact CD1-CE 3.55Å
66K90.1Very high89.6Confident196 Ų19690.9 Ų90.985%0.85247%0.468SS*.THydrogen-bonded Turntrans48.544.7-175.3-60.9-178.3176.2178.70112.4L62 D63L62-K66 PolarHBondContact O-N 3.35Å; D63-K66 PolarHBondContact O-N 3.42Å
67K87.4Confident89.4Confident95 Ų9591.6 Ų91.641%0.41347%0.47SS..  trans-101.4136.8-175.6-160.582.3173.7-169.90109.6L62 L65 S69 H72L62-K67 HydrophobicContact CD2-CB 3.85Å; L62-K67 HydrophobicContact CD2-CG 4.06Å; L62-K67 PolarHBondContact O-N 3.28Å; L65-K67 HydrophobicContact CB-CB 4.43Å; L65-K67 PolarHBondContact O-N 3.38Å; K67-S69 PolarHBondContact O-N 2.83Å; K67-H72 VanDerWaalsContact CE-CE1 3.46Å; K67-H72 WeakPolarHBondContact CE-CE1 3.17Å; K67-H72 WeakPolarHBondContact CE-NE2 3.29Å; K67-H72 WeakPolarHBondContact CG-NE2 3.43Å
68D84.2Confident89.4Confident96 Ų9692.5 Ų92.551%0.51349%0.485SS..  trans-61.2120.1-178.2-56.2-53.5000111.9S70 R71 H72D68-S70 PolarHBondContact O-N 3.02Å; D68-R71 HydrophobicContact CB-CB 4.42Å; D68-R71 HydrophobicContact CB-CG 4.27Å; D68-R71 PolarHBondContact O-N 2.97Å; D68-H72 PolarHBondContact O-CD2 3.19Å; D68-H72 VanDerWaalsContact O-CD2 3.31Å; D68-H72 PolarHBondContact O-N 3.41Å
69S81.8Confident89.4Confident84 Ų8493.2 Ų93.259%0.58749%0.49SS*.THydrogen-bonded Turntrans-60.1-33178.4-172.90000112.6K67 H72 S73K67-S69 PolarHBondContact O-N 2.83Å; S69-H72 CarbonylContact O-C 3.36Å; S69-H72 PolarHBondContact O-N 2.84Å; S69-H72 VanDerWaalsContact O-N 3.17Å; S69-S73 PolarHBondContact O-N 3Å
70S80.3Confident89.3Confident93 Ų9389.6 Ų89.665%0.6547%0.467SS*.THydrogen-bonded Turntrans-62.3-45.3179.759.30000112.9D68 H72 S73D68-S70 PolarHBondContact O-N 3.02Å; S70-H72 PolarHBondContact O-N 3.42Å; S70-S73 PolarHBondContact O-N 3.16Å; S70-S73 PolarHBondContact O-OG 3.48Å
71R80.2Confident89.4Confident189 Ų18988.4 Ų88.471%0.71346%0.461SS*.THydrogen-bonded Turntrans-69.7-20.4177.9-66.6-175.366.7-164.12.1112.7D68D68-R71 HydrophobicContact CB-CB 4.42Å; D68-R71 HydrophobicContact CB-CG 4.27Å; D68-R71 PolarHBondContact O-N 2.97Å
72H84.3Confident89.4Confident24 Ų2494.3 Ų94.311%0.11149%0.489CS..THydrogen-bonded Turntrans-108.611.8-176.9-71.8-112.7000112.1K58 L62 K67 D68 S69 S70 K74 L75K58-H72 WeakPolarHBondContact CE-O 3.43Å; K58-H72 PolarHBondContact NZ-O 3.4Å; L62-H72 HydrophobicContact CD1-CB 3.69Å; L62-H72 HydrophobicContact CD2-CB 3.59Å; L62-H72 VanDerWaalsContact CD2-CG 3.46Å; L62-H72 WeakPolarHBondContact CD2-ND1 3.5Å; L62-H72 HydrophobicContact CG-CB 4.31Å; K67-H72 VanDerWaalsContact CE-CE1 3.46Å; K67-H72 WeakPolarHBondContact CE-CE1 3.17Å; K67-H72 WeakPolarHBondContact CE-NE2 3.29Å; K67-H72 WeakPolarHBondContact CG-NE2 3.43Å; D68-H72 PolarHBondContact O-CD2 3.19Å; D68-H72 VanDerWaalsContact O-CD2 3.31Å; D68-H72 PolarHBondContact O-N 3.41Å; S69-H72 CarbonylContact O-C 3.36Å; S69-H72 PolarHBondContact O-N 2.84Å; S69-H72 VanDerWaalsContact O-N 3.17Å; S70-H72 PolarHBondContact O-N 3.42Å; H72-K74 PolarHBondContact O-N 3.4Å; H72-L75 HydrophobicContact CB-CD1 3.79Å; H72-L75 HydrophobicContact CB-CG 3.94Å; H72-L75 WeakPolarHBondContact O-CG 3.45Å; H72-L75 PolarHBondContact O-N 3.47Å
73S83.2Confident89.5Confident87 Ų8795.7 Ų95.761%0.60850%0.495SS*.THydrogen-bonded Turntrans-59.9-30.7-179.670.80000112.3K58 S69 S70K58-S73 PolarHBondContact NZ-O 3.46Å; S69-S73 PolarHBondContact O-N 3Å; S70-S73 PolarHBondContact O-N 3.16Å; S70-S73 PolarHBondContact O-OG 3.48Å
74K85Confident89.7Confident192 Ų19290.4 Ų90.484%0.83547%0.467SS*.THydrogen-bonded Turntrans-104.723.4-177.6-152.1178.2180179.30115.2H72 E76H72-K74 PolarHBondContact O-N 3.4Å; K74-E76 PolarHBondContact O-N 3.05Å
75L87Confident89.9Confident35 Ų3591.6 Ų91.618%0.18347%0.469CS..  trans-56.8133.4176.3-76.8173.1000112K58 L62 H72 D79 I80 M83K58-L75 HydrophobicContact CD-CD1 4.46Å; K58-L75 HydrophobicContact CG-CD1 4.22Å; L62-L75 HydrophobicContact CD2-CD1 4.29Å; H72-L75 HydrophobicContact CB-CD1 3.79Å; H72-L75 HydrophobicContact CB-CG 3.94Å; H72-L75 WeakPolarHBondContact O-CG 3.45Å; H72-L75 PolarHBondContact O-N 3.47Å; L75-D79 HydrophobicContact CB-CB 4.47Å; L75-D79 HydrophobicContact CD2-CB 3.67Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG1 3.91Å; L75-I80 HydrophobicContact CD1-CG1 4.22Å; L75-M83 HydrophobicContact CD1-SD 4.22Å; L75-M83 HydrophobicContact CD2-SD 4.29Å
76E93.4Very high90.2Very high138 Ų13895.4 Ų95.465%0.64548%0.482SS*.  trans-74.5161.8172.7-59.8-16595.800110.7K74 A78 D79 I80K74-E76 PolarHBondContact O-N 3.05Å; E76-A78 PolarHBondContact O-N 2.95Å; E76-D79 PolarHBondContact N-OD2 3.19Å; E76-D79 PolarHBondContact O-N 2.83Å; E76-I80 WeakPolarHBondContact O-CG1 3.36Å; E76-I80 PolarHBondContact O-N 3.15Å; E76-I80 VanDerWaalsContact O-N 3.12Å
77K93.4Very high90.4Very high119 Ų11988.1 Ų88.152%0.51745%0.451SS..Hα-helixtrans-59.6-37.7178.6-69.3-172.8171.1-172.10111.7N51 L54 L81N51-K77 PolarHBondContact OD1-NZ 3.46Å; L54-K77 HydrophobicContact CD1-CD 3.97Å; L54-K77 HydrophobicContact CD1-CG 4.1Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 3.33Å
78A95.8Very high90.8Very high68 Ų6888.3 Ų88.356%0.56246%0.456SS*.Hα-helixtrans-62.8-46.4176.500000111.3E76 I80 L81 E82E76-A78 PolarHBondContact O-N 2.95Å; A78-I80 PolarHBondContact O-N 3.08Å; A78-L81 PolarHBondContact O-N 2.99Å; A78-E82 WeakPolarHBondContact O-CB 3.34Å; A78-E82 PolarHBondContact O-N 3.28Å
79D94.3Very high91.4Very high55 Ų5591.2 Ų91.229%0.29446%0.46SS..Hα-helixtrans-61.4-42.8179.6-58.6-24.9000112.7L75 E76 L81 E82 M83L75-D79 HydrophobicContact CB-CB 4.47Å; L75-D79 HydrophobicContact CD2-CB 3.67Å; E76-D79 PolarHBondContact N-OD2 3.19Å; E76-D79 PolarHBondContact O-N 2.83Å; D79-L81 VanDerWaalsContact C-N 3.28Å; D79-L81 PolarHBondContact O-N 3.49Å; D79-E82 PolarHBondContact O-N 3.46Å; D79-M83 WeakPolarHBondContact O-CB 3.43Å; D79-M83 WeakPolarHBondContact O-CG 3.47Å; D79-M83 PolarHBondContact O-N 2.88Å
80I94.3Very high91.9Very high14 Ų1490.3 Ų90.37%0.07245%0.448CS..Hα-helixtrans-58.2-45.8177.5-63.9166.2000109.8L54 L57 K58 L75 E76 A78 T84L54-I80 HydrophobicContact CD2-CG2 4.17Å; L57-I80 HydrophobicContact CD2-CG2 4.27Å; L57-I80 HydrophobicContact CG-CG2 4.27Å; K58-I80 HydrophobicContact CB-CD1 4.06Å; K58-I80 HydrophobicContact CB-CG1 4.18Å; K58-I80 HydrophobicContact CB-CG2 4.18Å; K58-I80 HydrophobicContact CD-CD1 4.1Å; K58-I80 HydrophobicContact CD-CG1 4.45Å; K58-I80 HydrophobicContact CG-CD1 4.41Å; K58-I80 HydrophobicContact CG-CG1 4.37Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG1 3.91Å; L75-I80 HydrophobicContact CD1-CG1 4.22Å; E76-I80 WeakPolarHBondContact O-CG1 3.36Å; E76-I80 PolarHBondContact O-N 3.15Å; E76-I80 VanDerWaalsContact O-N 3.12Å; A78-I80 PolarHBondContact O-N 3.08Å; I80-T84 WeakPolarHBondContact O-CB 3.4Å; I80-T84 PolarHBondContact O-N 2.89Å; I80-T84 PolarHBondContact O-OG1 3.46Å
81L97.2Very high92.6Very high90 Ų9089.2 Ų89.247%0.47144%0.435SS..Hα-helixtrans-67.5-43.3179.5-66.4175.1000111.6L54 L57 K77 A78 D79 T84 V85L54-L81 HydrophobicContact CD2-CD2 3.96Å; L54-L81 HydrophobicContact CD2-CG 4.31Å; L57-L81 HydrophobicContact CD2-CD2 4.43Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 3.33Å; A78-L81 PolarHBondContact O-N 2.99Å; D79-L81 VanDerWaalsContact C-N 3.28Å; D79-L81 PolarHBondContact O-N 3.49Å; L81-T84 WeakPolarHBondContact O-CB 3.4Å; L81-T84 PolarHBondContact O-N 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.33Å; L81-V85 PolarHBondContact O-N 2.85Å
82E95.9Very high93.1Very high137 Ų13785.5 Ų85.564%0.6443%0.426SS*.Hα-helixtrans-62.2-47.8177.8-174.6177.9-175.800111.5A78 D79 T84 V85 K86A78-E82 WeakPolarHBondContact O-CB 3.34Å; A78-E82 PolarHBondContact O-N 3.28Å; D79-E82 PolarHBondContact O-N 3.46Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 2.91Å; E82-V85 PolarHBondContact O-N 3.41Å; E82-K86 WeakPolarHBondContact O-CB 3.27Å; E82-K86 PolarHBondContact O-N 3.17Å
83M95.5Very high93.4Very high37 Ų3791.5 Ų91.518%0.18245%0.447CS..Hα-helixtrans-58.9-40.5176.4-74.7-171.763.700111.4I61 L62 L65 L75 D79 H87I61-M83 HydrophobicContact CG2-CB 3.92Å; I61-M83 HydrophobicContact CG2-CE 4.09Å; L62-M83 HydrophobicContact CD2-CE 4.16Å; L65-M83 HydrophobicContact CD1-CE 3.55Å; L75-M83 HydrophobicContact CD1-SD 4.22Å; L75-M83 HydrophobicContact CD2-SD 4.29Å; D79-M83 WeakPolarHBondContact O-CB 3.43Å; D79-M83 WeakPolarHBondContact O-CG 3.47Å; D79-M83 PolarHBondContact O-N 2.88Å; M83-H87 WeakPolarHBondContact O-CB 3.32Å; M83-H87 PolarHBondContact O-N 3.42Å
84T96.9Very high93.6Very high15 Ų1592.7 Ų92.79%0.09245%0.445CS..Hα-helixtrans-63.4-50.8176.8-58.40000111.2L57 I61 I80 L81 E82 K86 H87 L88L57-T84 HydrophobicContact CD1-CG2 3.79Å; L57-T84 HydrophobicContact CD2-CG2 4.07Å; L57-T84 WeakPolarHBondContact CD2-OG1 3.41Å; L57-T84 HydrophobicContact CG-CG2 4.3Å; L57-T84 WeakPolarHBondContact CG-OG1 3.34Å; I61-T84 HydrophobicContact CD1-CG2 4.18Å; I61-T84 WeakPolarHBondContact CG1-OG1 3.49Å; I80-T84 WeakPolarHBondContact O-CB 3.4Å; I80-T84 PolarHBondContact O-N 2.89Å; I80-T84 PolarHBondContact O-OG1 3.46Å; L81-T84 WeakPolarHBondContact O-CB 3.4Å; L81-T84 PolarHBondContact O-N 3.32Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 2.91Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.18Å; T84-H87 WeakPolarHBondContact O-CB 3.42Å; T84-H87 PolarHBondContact O-N 3.48Å; T84-H87 VanDerWaalsContact O-N 3.13Å; T84-L88 HydrophobicContact CG2-CD1 4.04Å; T84-L88 HydrophobicContact CG2-CG 4.33Å; T84-L88 WeakPolarHBondContact O-CG 3.31Å; T84-L88 PolarHBondContact O-N 2.85Å
85V97.3Very high93.6Very high82 Ų8289 Ų8950%0.49743%0.43SS..Hα-helixtrans-60.9-43-179.81720000110.4L81 E82 H87 L88 R89L81-V85 WeakPolarHBondContact O-CG2 3.33Å; L81-V85 PolarHBondContact O-N 2.85Å; E82-V85 PolarHBondContact O-N 3.41Å; V85-H87 VanDerWaalsContact C-N 3.33Å; V85-H87 PolarHBondContact O-N 3.39Å; V85-L88 PolarHBondContact O-N 3.45Å; V85-R89 HydrophobicContact CG1-CG 4.38Å; V85-R89 WeakPolarHBondContact O-CB 3.45Å; V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.39Å; V85-R89 PolarHBondContact O-N 3.4Å
86K96Very high93.2Very high157 Ų15793.4 Ų93.468%0.68345%0.451SS*.Hα-helixtrans-59.7-44.1175.2-176.6174.7178.7171.60111.6E82 T84 N90E82-K86 WeakPolarHBondContact O-CB 3.27Å; E82-K86 PolarHBondContact O-N 3.17Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.18Å; K86-N90 WeakPolarHBondContact O-CB 3.49Å; K86-N90 PolarHBondContact O-N 3.43Å
87H95.1Very high92.5Very high44 Ų4490.6 Ų90.620%0.20445%0.447CS..Hα-helixtrans-63.7-46.6176.9-179.373.4000111.9I61 M83 T84 V85 R89 N90 L91I61-H87 HydrophobicContact CD1-CB 4.01Å; M83-H87 WeakPolarHBondContact O-CB 3.32Å; M83-H87 PolarHBondContact O-N 3.42Å; T84-H87 WeakPolarHBondContact O-CB 3.42Å; T84-H87 PolarHBondContact O-N 3.48Å; T84-H87 VanDerWaalsContact O-N 3.13Å; V85-H87 VanDerWaalsContact C-N 3.33Å; V85-H87 PolarHBondContact O-N 3.39Å; H87-R89 PolarHBondContact O-N 3.5Å; H87-N90 CarbonylContact O-C 3.59Å; H87-N90 WeakPolarHBondContact O-CA 3.4Å; H87-N90 WeakPolarHBondContact O-CB 3.37Å; H87-N90 PolarHBondContact O-N 3.35Å; H87-N90 VanDerWaalsContact O-N 3.1Å; H87-L91 PolarHBondContact O-N 3.2Å
88L96.4Very high91.6Very high98 Ų9887.8 Ų87.851%0.51345%0.446SS..Hα-helixtrans-61.5-43.4178.1-69.4176000112.3T84 V85 N90 L91 Q92T84-L88 HydrophobicContact CG2-CD1 4.04Å; T84-L88 HydrophobicContact CG2-CG 4.33Å; T84-L88 WeakPolarHBondContact O-CG 3.31Å; T84-L88 PolarHBondContact O-N 2.85Å; V85-L88 PolarHBondContact O-N 3.45Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.1Å; L88-L91 PolarHBondContact O-N 3.4Å; L88-Q92 PolarHBondContact O-N 3.28Å
89R95.3Very high90.6Very high157 Ų15790.5 Ų90.559%0.59245%0.45SS*.Hα-helixtrans-62.2-37.8174.1-70.6-69.6-173.8144.72.6111.6V85 H87 R93V85-R89 HydrophobicContact CG1-CG 4.38Å; V85-R89 WeakPolarHBondContact O-CB 3.45Å; V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.39Å; V85-R89 PolarHBondContact O-N 3.4Å; H87-R89 PolarHBondContact O-N 3.5Å; R89-R93 WeakPolarHBondContact O-CG 3.3Å; R89-R93 PolarHBondContact O-N 3Å
90N93.8Very high89.5Confident65 Ų6591.1 Ų91.135%0.34846%0.459SS..Hα-helixtrans-67.2-44.2175.8-166.365.4000111.9K86 H87 L88 Q92 R93 M94K86-N90 WeakPolarHBondContact O-CB 3.49Å; K86-N90 PolarHBondContact O-N 3.43Å; H87-N90 CarbonylContact O-C 3.59Å; H87-N90 WeakPolarHBondContact O-CA 3.4Å; H87-N90 WeakPolarHBondContact O-CB 3.37Å; H87-N90 PolarHBondContact O-N 3.35Å; H87-N90 VanDerWaalsContact O-N 3.1Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.1Å; N90-Q92 VanDerWaalsContact C-N 3.33Å; N90-Q92 PolarHBondContact O-N 2.92Å; N90-R93 PolarHBondContact O-N 3.47Å; N90-R93 PolarHBondContact OD1-NH2 2.84Å; N90-M94 PolarHBondContact ND2-SD 3.12Å; N90-M94 VanDerWaalsContact ND2-SD 3.4Å; N90-M94 WeakPolarHBondContact O-CG 3.34Å; N90-M94 PolarHBondContact O-N 2.68Å
91L93.5Very high88.5Confident70 Ų7092.8 Ų92.837%0.36648%0.475SS..Hα-helixtrans-60-43.8177.2-174.363.3000111.3H87 L88 R93 M94 Q95H87-L91 PolarHBondContact O-N 3.2Å; L88-L91 PolarHBondContact O-N 3.4Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.98Å; L91-M94 PolarHBondContact O-N 3.49Å; L91-Q95 WeakPolarHBondContact O-CB 3.33Å; L91-Q95 WeakPolarHBondContact O-CG 3.38Å; L91-Q95 PolarHBondContact O-N 2.98Å
92Q91Very high87.4Confident112 Ų11292.9 Ų92.952%0.52348%0.476SS..Hα-helixtrans-60.3-42.9176.2-171.8-177.18.300112.2L88 N90 Q95 M96L88-Q92 PolarHBondContact O-N 3.28Å; N90-Q92 VanDerWaalsContact C-N 3.33Å; N90-Q92 PolarHBondContact O-N 2.92Å; Q92-Q95 PolarHBondContact O-N 3.28Å; Q92-M96 PolarHBondContact O-N 2.83Å
93R90.8Very high86.5Confident149 Ų14989 Ų8956%0.56247%0.467SS*.Hα-helixtrans-64.7-42.7175.2-73.1-170.3-58.4-98.7-2.4111.9R89 N90 L91 M96 S97R89-R93 WeakPolarHBondContact O-CG 3.3Å; R89-R93 PolarHBondContact O-N 3Å; N90-R93 PolarHBondContact O-N 3.47Å; N90-R93 PolarHBondContact OD1-NH2 2.84Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.98Å; R93-M96 PolarHBondContact O-N 3.1Å; R93-S97 WeakPolarHBondContact O-CB 3.35Å; R93-S97 PolarHBondContact O-N 3.03Å
94M86.9Confident85.9Confident113 Ų11390.3 Ų90.356%0.55748%0.477SS*.Hα-helixtrans-63.4-42.3177.8-72.41806700111.7N90 L91 S97 A98N90-M94 PolarHBondContact ND2-SD 3.12Å; N90-M94 VanDerWaalsContact ND2-SD 3.4Å; N90-M94 WeakPolarHBondContact O-CG 3.34Å; N90-M94 PolarHBondContact O-N 2.68Å; L91-M94 PolarHBondContact O-N 3.49Å; M94-S97 PolarHBondContact O-N 3.42Å; M94-A98 WeakPolarHBondContact O-CB 3.48Å; M94-A98 PolarHBondContact O-N 3.47Å
95Q86Confident85.3Confident113 Ų11393.4 Ų93.453%0.52850%0.496SS..Hα-helixtrans-61.7-46.4175.5-74.9176.1-23.100111.6L91 Q92 S97 A98 L99L91-Q95 WeakPolarHBondContact O-CB 3.33Å; L91-Q95 WeakPolarHBondContact O-CG 3.38Å; L91-Q95 PolarHBondContact O-N 2.98Å; Q92-Q95 PolarHBondContact O-N 3.28Å; Q95-S97 VanDerWaalsContact C-N 3.31Å; Q95-S97 PolarHBondContact O-N 2.89Å; Q95-A98 PolarHBondContact O-N 3.48Å; Q95-L99 WeakPolarHBondContact O-CG 3.44Å; Q95-L99 PolarHBondContact O-N 2.97Å
96M78.9Confident84.8Confident128 Ų12893 Ų9363%0.63149%0.49SS*.Hα-helixtrans-60.7-42.1176.3-167.470.773.200111.7Q92 R93 S100Q92-M96 PolarHBondContact O-N 2.83Å; R93-M96 PolarHBondContact O-N 3.1Å; M96-S100 WeakPolarHBondContact O-CB 3.37Å; M96-S100 PolarHBondContact O-N 3Å
97S77.3Confident84.3Confident80 Ų8089.2 Ų89.256%0.55948%0.483SS*.Hα-helixtrans-67.3-37.2176.9-172.50000112.5R93 M94 Q95 S100 A101R93-S97 WeakPolarHBondContact O-CB 3.35Å; R93-S97 PolarHBondContact O-N 3.03Å; M94-S97 PolarHBondContact O-N 3.42Å; Q95-S97 VanDerWaalsContact C-N 3.31Å; Q95-S97 PolarHBondContact O-N 2.89Å; S97-S100 PolarHBondContact O-N 2.99Å; S97-A101 VanDerWaalsContact O-CB 3.31Å; S97-A101 WeakPolarHBondContact O-CB 3.5Å; S97-A101 PolarHBondContact O-N 2.74Å
98A75.3Confident84.1Confident60 Ų6094.3 Ų94.350%0.49651%0.505SS..Hα-helixtrans-67.7-43.7178.600000111.3M94 Q95 S100 A101 D102M94-A98 WeakPolarHBondContact O-CB 3.48Å; M94-A98 PolarHBondContact O-N 3.47Å; Q95-A98 PolarHBondContact O-N 3.48Å; A98-S100 VanDerWaalsContact C-N 3.33Å; A98-S100 PolarHBondContact O-N 3.19Å; A98-A101 PolarHBondContact O-N 2.91Å; A98-D102 PolarHBondContact O-N 3.21Å
99L75.7Confident83.9Confident124 Ų12495.8 Ų95.865%0.64950%0.504SS*.Hα-helixtrans-62.9-40.3173.9-66.2173.8000111.6Q95 A103Q95-L99 WeakPolarHBondContact O-CG 3.44Å; Q95-L99 PolarHBondContact O-N 2.97Å; L99-A103 VanDerWaalsContact O-CB 3.29Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.43Å
100S71.2Confident83.6Confident68 Ų6894 Ų9448%0.47650%0.498SS..Hα-helixtrans-67.7-38.7175.4-174.20000112.4M96 S97 A98 A103 T104M96-S100 WeakPolarHBondContact O-CB 3.37Å; M96-S100 PolarHBondContact O-N 3Å; S97-S100 PolarHBondContact O-N 2.99Å; A98-S100 VanDerWaalsContact C-N 3.33Å; A98-S100 PolarHBondContact O-N 3.19Å; S100-A103 PolarHBondContact O-N 2.85Å; S100-T104 WeakPolarHBondContact O-CG2 3.28Å; S100-T104 PolarHBondContact O-N 3.1Å; S100-T104 PolarHBondContact O-OG1 2.83Å
101A71.8Confident83.6Confident49 Ų4993.4 Ų93.441%0.40550%0.501SS..Hα-helixtrans-64.5-46.1178.300000110.6S97 A98 A103 T104 V105S97-A101 VanDerWaalsContact O-CB 3.31Å; S97-A101 WeakPolarHBondContact O-CB 3.5Å; S97-A101 PolarHBondContact O-N 2.74Å; A98-A101 PolarHBondContact O-N 2.91Å; A101-A103 VanDerWaalsContact C-N 3.35Å; A101-A103 PolarHBondContact O-N 3.22Å; A101-T104 PolarHBondContact O-N 3.39Å; A101-T104 VanDerWaalsContact O-N 3.12Å; A101-T104 PolarHBondContact O-OG1 3.04Å; A101-V105 WeakPolarHBondContact O-CG2 3.33Å; A101-V105 PolarHBondContact O-N 2.93Å
102D74Confident83.6Confident93 Ų9391.7 Ų91.750%0.49750%0.5SS..Hα-helixtrans-62-43.4175.9-163.821.3000111.4A98 T104 V105 M106A98-D102 PolarHBondContact O-N 3.21Å; D102-T104 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact O-N 3.43Å; D102-V105 PolarHBondContact O-N 3.48Å; D102-M106 WeakPolarHBondContact O-CB 3.39Å; D102-M106 WeakPolarHBondContact O-CG 3.3Å; D102-M106 PolarHBondContact O-N 3Å
103A77.4Confident83.8Confident55 Ų5587.9 Ų87.946%0.45548%0.482SS..Hα-helixtrans-59.2-38.5172.900000112.9L99 S100 A101 S107L99-A103 VanDerWaalsContact O-CB 3.29Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.43Å; S100-A103 PolarHBondContact O-N 2.85Å; A101-A103 VanDerWaalsContact C-N 3.35Å; A101-A103 PolarHBondContact O-N 3.22Å; A103-S107 WeakPolarHBondContact O-CB 3.37Å; A103-S107 PolarHBondContact O-N 3.18Å
104T82.6Confident84Confident64 Ų6482.6 Ų82.639%0.39347%0.465SS..Hα-helixtrans-70.2-36.717764.20000112.7S100 A101 D102 S107 K108S100-T104 WeakPolarHBondContact O-CG2 3.28Å; S100-T104 PolarHBondContact O-N 3.1Å; S100-T104 PolarHBondContact O-OG1 2.83Å; A101-T104 PolarHBondContact O-N 3.39Å; A101-T104 VanDerWaalsContact O-N 3.12Å; A101-T104 PolarHBondContact O-OG1 3.04Å; D102-T104 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact O-N 3.43Å; T104-S107 PolarHBondContact O-N 3.32Å; T104-K108 WeakPolarHBondContact O-CB 3.26Å; T104-K108 VanDerWaalsContact O-CG 3.26Å; T104-K108 WeakPolarHBondContact O-CG 3.47Å; T104-K108 PolarHBondContact O-N 3.41Å
105V85.7Confident84.5Confident81 Ų8184 Ų8449%0.49147%0.47SS..Hα-helixtrans-68-46176.2173.80000110.1A101 D102 S107 K108 Y109A101-V105 WeakPolarHBondContact O-CG2 3.33Å; A101-V105 PolarHBondContact O-N 2.93Å; D102-V105 PolarHBondContact O-N 3.48Å; V105-S107 VanDerWaalsContact C-N 3.34Å; V105-S107 PolarHBondContact O-N 3.3Å; V105-K108 PolarHBondContact O-N 3.46Å; V105-Y109 WeakPolarHBondContact O-CB 3.38Å; V105-Y109 PolarHBondContact O-N 2.85Å
106M85.5Confident85Confident74 Ų7482.2 Ų82.237%0.36547%0.47SS..Hα-helixtrans-61.6-40.5174.4-72.2-63.7100.700112.4D102 Y109 R110D102-M106 WeakPolarHBondContact O-CB 3.39Å; D102-M106 WeakPolarHBondContact O-CG 3.3Å; D102-M106 PolarHBondContact O-N 3Å; M106-Y109 PolarHBondContact O-N 3.24Å; M106-R110 VanDerWaalsContact O-CB 3.31Å; M106-R110 WeakPolarHBondContact O-CB 3.21Å; M106-R110 PolarHBondContact O-N 3.31Å
107S86.9Confident85.8Confident76 Ų7677.3 Ų77.353%0.53145%0.446SS..Hα-helixtrans-62.5-44.1175.3-177.70000112.1A103 T104 V105 R110 A111A103-S107 WeakPolarHBondContact O-CB 3.37Å; A103-S107 PolarHBondContact O-N 3.18Å; T104-S107 PolarHBondContact O-N 3.32Å; V105-S107 VanDerWaalsContact C-N 3.34Å; V105-S107 PolarHBondContact O-N 3.3Å; S107-R110 PolarHBondContact O-N 3.06Å; S107-A111 PolarHBondContact O-N 3.35Å
108K90.4Very high86.6Confident152 Ų15278.1 Ų78.166%0.66144%0.444SS*.Hα-helixtrans-63.9-44.8175.8-73.9172.5-177.5179.20112.2T104 V105 R110 A111 G112T104-K108 WeakPolarHBondContact O-CB 3.26Å; T104-K108 VanDerWaalsContact O-CG 3.26Å; T104-K108 WeakPolarHBondContact O-CG 3.47Å; T104-K108 PolarHBondContact O-N 3.41Å; V105-K108 PolarHBondContact O-N 3.46Å; K108-R110 VanDerWaalsContact C-N 3.33Å; K108-R110 PolarHBondContact O-N 2.93Å; K108-A111 PolarHBondContact O-N 2.99Å; K108-G112 PolarHBondContact O-N 3.44Å
109Y91.4Very high87.7Confident128 Ų12879.6 Ų79.650%0.50244%0.44SS..Hα-helixtrans-60-44.8175.2177.5-96.5000111.3V105 M106 A111 G112 F113 M149V105-Y109 WeakPolarHBondContact O-CB 3.38Å; V105-Y109 PolarHBondContact O-N 2.85Å; M106-Y109 PolarHBondContact O-N 3.24Å; Y109-A111 VanDerWaalsContact C-N 3.33Å; Y109-A111 PolarHBondContact O-N 3.42Å; Y109-G112 PolarHBondContact O-N 2.95Å; Y109-F113 WeakPolarHBondContact O-CB 3.38Å; Y109-F113 PolarHBondContact O-N 3.1Å; Y109-M149 HydrophobicContact CD1-SD 4.33Å; Y109-M149 HydrophobicContact CE1-CE 3.67Å; Y109-M149 HydrophobicContact CE1-SD 3.9Å
110R90.5Very high88.6Confident121 Ų12175.6 Ų75.646%0.45742%0.421SS..Hα-helixtrans-59.3-43.4176.2-177.8-178.7-177.4-87.6-1.6111.9M106 S107 K108 F113 N114 M150M106-R110 VanDerWaalsContact O-CB 3.31Å; M106-R110 WeakPolarHBondContact O-CB 3.21Å; M106-R110 PolarHBondContact O-N 3.31Å; S107-R110 PolarHBondContact O-N 3.06Å; K108-R110 VanDerWaalsContact C-N 3.33Å; K108-R110 PolarHBondContact O-N 2.93Å; R110-F113 PolarHBondContact O-N 2.82Å; R110-N114 PolarHBondContact O-N 3.28Å; R110-N114 PolarHBondContact O-ND2 3.1Å; R110-M150 HydrophobicContact CG-CE 4.43Å
111A92.6Very high89.7Confident51 Ų5174.7 Ų74.742%0.42141%0.412SS..Hα-helixtrans-60.6-51176.300000111S107 K108 Y109 F113 N114 E115S107-A111 PolarHBondContact O-N 3.35Å; K108-A111 PolarHBondContact O-N 2.99Å; Y109-A111 VanDerWaalsContact C-N 3.33Å; Y109-A111 PolarHBondContact O-N 3.42Å; A111-F113 VanDerWaalsContact C-N 3.34Å; A111-F113 PolarHBondContact O-N 3.45Å; A111-N114 WeakPolarHBondContact O-CB 3.43Å; A111-N114 PolarHBondContact O-N 3.4Å; A111-N114 VanDerWaalsContact O-N 3.13Å; A111-E115 PolarHBondContact O-N 3.45Å
112G94.4Very high90.8Very high34 Ų3479 Ų7935%0.35142%0.418SS..Hα-helixtrans-63.1-36.3178.500000113.8K108 Y109 E115 C116K108-G112 PolarHBondContact O-N 3.44Å; Y109-G112 PolarHBondContact O-N 2.95Å; G112-E115 PolarHBondContact O-N 3.45Å; G112-C116 WeakPolarHBondContact O-CB 3.23Å; G112-C116 PolarHBondContact O-N 3.2Å
113F95.4Very high91.8Very high32 Ų3280.8 Ų80.814%0.1442%0.422CS..Hα-helixtrans-64.5-41173.7-172.2-84.2000111.6Y109 R110 A111 C116 M117 L142 C145 M146 M149Y109-F113 WeakPolarHBondContact O-CB 3.38Å; Y109-F113 PolarHBondContact O-N 3.1Å; R110-F113 PolarHBondContact O-N 2.82Å; A111-F113 VanDerWaalsContact C-N 3.34Å; A111-F113 PolarHBondContact O-N 3.45Å; F113-C116 PolarHBondContact O-N 3.32Å; F113-M117 HydrophobicContact CE1-SD 4.48Å; F113-M117 WeakPolarHBondContact O-CB 3.46Å; F113-M117 PolarHBondContact O-N 2.84Å; F113-L142 WeakPolarHBondContact CE1-O 3.21Å; F113-L142 HydrophobicContact CZ-CB 4.38Å; F113-L142 HydrophobicContact CZ-CD2 4.05Å; F113-C145 HydrophobicContact CZ-CB 4.38Å; F113-M146 HydrophobicContact CD1-CB 4.14Å; F113-M146 HydrophobicContact CD1-CG 4.38Å; F113-M146 HydrophobicContact CD1-SD 4.03Å; F113-M146 HydrophobicContact CE1-CB 3.8Å; F113-M146 HydrophobicContact CE1-SD 4.47Å; F113-M149 HydrophobicContact CD2-CE 4.21Å; F113-M149 HydrophobicContact CE2-CE 4.3Å; F113-M149 HydrophobicContact CG-CE 4.43Å
114N94.5Very high92.5Very high39 Ų3978.9 Ų78.921%0.20940%0.404CS..Hα-helixtrans-64.7-42.7175.7-86.2-87.9000111.8R110 A111 C116 M117 N118 M146R110-N114 PolarHBondContact O-N 3.28Å; R110-N114 PolarHBondContact O-ND2 3.1Å; A111-N114 WeakPolarHBondContact O-CB 3.43Å; A111-N114 PolarHBondContact O-N 3.4Å; A111-N114 VanDerWaalsContact O-N 3.13Å; N114-C116 VanDerWaalsContact C-N 3.35Å; N114-C116 PolarHBondContact O-N 3.05Å; N114-M117 PolarHBondContact O-N 3.48Å; N114-N118 WeakPolarHBondContact O-CB 3.43Å; N114-N118 PolarHBondContact O-N 2.9Å; N114-N118 PolarHBondContact O-ND2 3.26Å; N114-M146 PolarHBondContact ND2-SD 3.41Å
115E96.4Very high92.8Very high141 Ų14180.4 Ų80.466%0.65942%0.417SS*.Hα-helixtrans-59.8-45.9175.3-71-178.4158.400111.5A111 G112 N118 E119A111-E115 PolarHBondContact O-N 3.45Å; G112-E115 PolarHBondContact O-N 3.45Å; E115-N118 PolarHBondContact O-N 3.27Å; E115-E119 WeakPolarHBondContact O-CB 3.44Å; E115-E119 PolarHBondContact O-N 3.1Å
116C96.3Very high93Very high76 Ų7681.2 Ų81.251%0.51442%0.422SS..Hα-helixtrans-60.1-47175-178.50000112G112 F113 N114 N118 E119 V120G112-C116 WeakPolarHBondContact O-CB 3.23Å; G112-C116 PolarHBondContact O-N 3.2Å; F113-C116 PolarHBondContact O-N 3.32Å; N114-C116 VanDerWaalsContact C-N 3.35Å; N114-C116 PolarHBondContact O-N 3.05Å; C116-N118 VanDerWaalsContact C-N 3.33Å; C116-N118 PolarHBondContact O-N 3.39Å; C116-E119 PolarHBondContact O-N 2.86Å; C116-V120 WeakPolarHBondContact O-CG2 3Å; C116-V120 PolarHBondContact O-N 3.34Å
117M95.7Very high93Very high26 Ų2678.8 Ų78.813%0.12841%0.413CS..Hα-helixtrans-62.3-39.6178.5-172.6-178.871.900112.2F113 N114 E119 V120 T121 L142 M146F113-M117 HydrophobicContact CE1-SD 4.48Å; F113-M117 WeakPolarHBondContact O-CB 3.46Å; F113-M117 PolarHBondContact O-N 2.84Å; N114-M117 PolarHBondContact O-N 3.48Å; M117-E119 VanDerWaalsContact C-N 3.35Å; M117-V120 PolarHBondContact O-N 3.05Å; M117-T121 WeakPolarHBondContact O-CB 3.37Å; M117-T121 PolarHBondContact O-N 2.92Å; M117-T121 PolarHBondContact O-OG1 2.86Å; M117-L142 HydrophobicContact CG-CB 4.16Å; M117-L142 HydrophobicContact CG-CD1 4.31Å; M117-L142 HydrophobicContact SD-CB 4.19Å; M117-M146 HydrophobicContact CE-CE 3.99Å; M117-M146 HydrophobicContact SD-CE 4.36Å
118N95.8Very high92.8Very high97 Ų9784.6 Ų84.652%0.51943%0.431SS..Hα-helixtrans-64-41.3174.6-72.9-27.5000111.3N114 E115 C116 T121 R122N114-N118 WeakPolarHBondContact O-CB 3.43Å; N114-N118 PolarHBondContact O-N 2.9Å; N114-N118 PolarHBondContact O-ND2 3.26Å; E115-N118 PolarHBondContact O-N 3.27Å; C116-N118 VanDerWaalsContact C-N 3.33Å; C116-N118 PolarHBondContact O-N 3.39Å; N118-T121 WeakPolarHBondContact O-CB 3.17Å; N118-T121 PolarHBondContact O-N 2.88Å; N118-R122 WeakPolarHBondContact O-CB 3.22Å; N118-R122 PolarHBondContact O-N 3.19Å
119E97.1Very high92.4Very high90 Ų9081.3 Ų81.342%0.42144%0.441SS..Hα-helixtrans-67.1-41.2177.1-17558.1-162.900112E115 C116 M117 T121 R122 F123E115-E119 WeakPolarHBondContact O-CB 3.44Å; E115-E119 PolarHBondContact O-N 3.1Å; C116-E119 PolarHBondContact O-N 2.86Å; M117-E119 VanDerWaalsContact C-N 3.35Å; E119-T121 VanDerWaalsContact C-N 3.3Å; E119-T121 PolarHBondContact O-N 3.13Å; E119-R122 WeakPolarHBondContact O-CB 3.46Å; E119-R122 PolarHBondContact O-N 3.27Å; E119-R122 IonicContact OE1-CZ 3.39Å; E119-R122 IonicContact OE1-NE 3.34Å; E119-R122 PolarHBondContact OE1-NE 2.72Å; E119-R122 IonicContact OE1-NH2 2.66Å; E119-R122 PolarHBondContact OE1-NH2 3.12Å; E119-R122 IonicContact OE2-CZ 3.64Å; E119-R122 IonicContact OE2-NE 2.85Å; E119-R122 PolarHBondContact OE2-NE 3.42Å; E119-R122 IonicContact OE2-NH2 3.57Å; E119-F123 WeakPolarHBondContact O-CB 3.46Å; E119-F123 PolarHBondContact O-N 2.99Å
120V95.6Very high92.1Very high40 Ų4077.5 Ų77.524%0.24243%0.431CS..Hα-helixtrans-59-44.2171.6171.70000110.5C116 M117 R122 F123 L124 L138 L139 L142C116-V120 WeakPolarHBondContact O-CG2 3Å; C116-V120 PolarHBondContact O-N 3.34Å; M117-V120 PolarHBondContact O-N 3.05Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 3.49Å; V120-F123 PolarHBondContact O-N 3.21Å; V120-L124 HydrophobicContact CG1-CD1 3.76Å; V120-L124 HydrophobicContact CG1-CG 4.25Å; V120-L124 WeakPolarHBondContact O-CB 3.47Å; V120-L124 WeakPolarHBondContact O-CG 3.33Å; V120-L124 PolarHBondContact O-N 3.37Å; V120-L138 HydrophobicContact CG1-CD2 4.26Å; V120-L139 HydrophobicContact CG1-CD2 4.26Å; V120-L142 HydrophobicContact CB-CD1 4.39Å; V120-L142 HydrophobicContact CG1-CD1 4.02Å
121T94.2Very high92.1Very high49 Ų4976 Ų7630%0.30143%0.432SS..Hα-helixtrans-60.7-44.6177-55.80000111.2M117 N118 E119 S125 L139M117-T121 WeakPolarHBondContact O-CB 3.37Å; M117-T121 PolarHBondContact O-N 2.92Å; M117-T121 PolarHBondContact O-OG1 2.86Å; N118-T121 WeakPolarHBondContact O-CB 3.17Å; N118-T121 PolarHBondContact O-N 2.88Å; E119-T121 VanDerWaalsContact C-N 3.3Å; E119-T121 PolarHBondContact O-N 3.13Å; T121-S125 WeakPolarHBondContact O-CB 3.5Å; T121-S125 PolarHBondContact O-N 3.08Å; T121-S125 VanDerWaalsContact O-N 3.11Å; T121-S125 PolarHBondContact O-OG 3.28Å; T121-L139 HydrophobicContact CG2-CD1 4.26Å; T121-L139 VanDerWaalsContact OG1-CD2 3.25Å; T121-L139 WeakPolarHBondContact OG1-CD2 3.45Å
122R94.8Very high91.9Very high140 Ų14076.7 Ų76.753%0.52844%0.438SS..Hα-helixtrans-62.1-49.8177.1-169.2-175.976.282.8-0.9111.4N118 E119 V120 L124 S125 T126N118-R122 WeakPolarHBondContact O-CB 3.22Å; N118-R122 PolarHBondContact O-N 3.19Å; E119-R122 WeakPolarHBondContact O-CB 3.46Å; E119-R122 PolarHBondContact O-N 3.27Å; E119-R122 IonicContact OE1-CZ 3.39Å; E119-R122 IonicContact OE1-NE 3.34Å; E119-R122 PolarHBondContact OE1-NE 2.72Å; E119-R122 IonicContact OE1-NH2 2.66Å; E119-R122 PolarHBondContact OE1-NH2 3.12Å; E119-R122 IonicContact OE2-CZ 3.64Å; E119-R122 IonicContact OE2-NE 2.85Å; E119-R122 PolarHBondContact OE2-NE 3.42Å; E119-R122 IonicContact OE2-NH2 3.57Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 3.49Å; R122-L124 PolarHBondContact O-N 3.3Å; R122-S125 WeakPolarHBondContact O-CB 3.41Å; R122-S125 PolarHBondContact O-N 3.28Å; R122-S125 VanDerWaalsContact O-N 3.16Å; R122-T126 PolarHBondContact O-N 3.4Å; R122-T126 VanDerWaalsContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.19Å
123F94.6Very high91.9Very high130 Ų13081 Ų8157%0.5745%0.449SS*.Hα-helixtrans-57.2-49.2178.8176.8-98.5000111.6E119 V120 S125 T126 S127E119-F123 WeakPolarHBondContact O-CB 3.46Å; E119-F123 PolarHBondContact O-N 2.99Å; V120-F123 PolarHBondContact O-N 3.21Å; F123-S125 PolarHBondContact O-N 2.75Å; F123-T126 PolarHBondContact O-N 3.26Å; F123-T126 VanDerWaalsContact O-N 3.12Å; F123-T126 PolarHBondContact O-OG1 3.31Å; F123-S127 WeakPolarHBondContact O-CB 3.39Å; F123-S127 PolarHBondContact O-N 3.48Å; F123-S127 PolarHBondContact O-OG 2.9Å
124L92.9Very high91.7Very high15 Ų1583.5 Ų83.58%0.07947%0.466CS..Hα-helixtrans-65-26.3-180-68.7174.7000113.6V120 R122 S127 V130 R135 L138 L139V120-L124 HydrophobicContact CG1-CD1 3.76Å; V120-L124 HydrophobicContact CG1-CG 4.25Å; V120-L124 WeakPolarHBondContact O-CB 3.47Å; V120-L124 WeakPolarHBondContact O-CG 3.33Å; V120-L124 PolarHBondContact O-N 3.37Å; R122-L124 PolarHBondContact O-N 3.3Å; L124-S127 VanDerWaalsContact CA-OG 3.32Å; L124-S127 WeakPolarHBondContact CA-OG 3.36Å; L124-S127 PolarHBondContact O-OG 2.97Å; L124-V130 HydrophobicContact CD2-CG1 4.36Å; L124-R135 HydrophobicContact CB-CG 4.21Å; L124-R135 HydrophobicContact CD1-CB 4.45Å; L124-R135 HydrophobicContact CD1-CG 4.4Å; L124-R135 HydrophobicContact CD2-CG 4.34Å; L124-R135 PolarHBondContact O-NE 3.24Å; L124-L138 HydrophobicContact CD1-CD2 3.97Å; L124-L139 HydrophobicContact CD1-CD2 4.26Å; L124-L139 HydrophobicContact CD1-CG 4.34Å
125S89.1Confident91.6Very high96 Ų9684.7 Ų84.767%0.67147%0.468SS*.Hα-helixtrans-75.7-33.3175.7-57.50000111.8T121 R122 F123T121-S125 WeakPolarHBondContact O-CB 3.5Å; T121-S125 PolarHBondContact O-N 3.08Å; T121-S125 VanDerWaalsContact O-N 3.11Å; T121-S125 PolarHBondContact O-OG 3.28Å; R122-S125 WeakPolarHBondContact O-CB 3.41Å; R122-S125 PolarHBondContact O-N 3.28Å; R122-S125 VanDerWaalsContact O-N 3.16Å; F123-S125 PolarHBondContact O-N 2.75Å
126T89.9Confident91.4Very high98 Ų9881.9 Ų81.960%0.60146%0.464SS*.Hα-helixtrans-88.8-16.3177.652.50000113.9R122 F123 E128R122-T126 PolarHBondContact O-N 3.4Å; R122-T126 VanDerWaalsContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.19Å; F123-T126 PolarHBondContact O-N 3.26Å; F123-T126 VanDerWaalsContact O-N 3.12Å; F123-T126 PolarHBondContact O-OG1 3.31Å; T126-E128 PolarHBondContact O-N 3.39Å
127S84.2Confident91.4Very high23 Ų2387.3 Ų87.316%0.16147%0.474CS..  trans-83.6108.5-179.662.90000111.7F123 L124 V130 R135F123-S127 WeakPolarHBondContact O-CB 3.39Å; F123-S127 PolarHBondContact O-N 3.48Å; F123-S127 PolarHBondContact O-OG 2.9Å; L124-S127 VanDerWaalsContact CA-OG 3.32Å; L124-S127 WeakPolarHBondContact CA-OG 3.36Å; L124-S127 PolarHBondContact O-OG 2.97Å; S127-V130 WeakPolarHBondContact OG-CG2 3.42Å; S127-R135 PolarHBondContact O-NH2 3.18Å
128E82.5Confident91.3Very high198 Ų19889.5 Ų89.593%0.92549%0.486SS*.THydrogen-bonded Turntrans-72.7138.2167.7-68.8-164.9130.200110.5T126T126-E128 PolarHBondContact O-N 3.39Å
129G81.5Confident91.3Very high83 Ų8387 Ų8786%0.85647%0.472SS*.THydrogen-bonded Turntrans102-9.6177.200000116.6
130V85.2Confident91.2Very high48 Ų4884.3 Ų84.329%0.29147%0.468SS..  trans-78.9138.2172.7-173.10000110.1L124 S127 R135L124-V130 HydrophobicContact CD2-CG1 4.36Å; S127-V130 WeakPolarHBondContact OG-CG2 3.42Å; V130-R135 HydrophobicContact CB-CG 4.3Å; V130-R135 HydrophobicContact CG1-CG 3.73Å; V130-R135 PolarHBondContact O-NH1 2.91Å; V130-R135 PolarHBondContact O-NH2 3.12Å
131N91.1Very high91.2Very high89 Ų8988.3 Ų88.348%0.47648%0.484SS..  trans-69.6135.6176.1-174.5-43.7000110.8E133 V134 R135N131-E133 VanDerWaalsContact C-N 3.29Å; N131-E133 PolarHBondContact O-N 2.87Å; N131-E133 WeakPolarHBondContact OD1-CB 3.39Å; N131-E133 PolarHBondContact OD1-N 3.4Å; N131-V134 HydrophobicContact CB-CB 4.36Å; N131-V134 HydrophobicContact CB-CG2 4Å; N131-V134 PolarHBondContact O-N 2.97Å; N131-V134 VanDerWaalsContact O-N 3.15Å; N131-R135 PolarHBondContact O-N 3.01Å; N131-R135 VanDerWaalsContact O-N 3.07Å
132A89.3Confident91.2Very high67 Ų6787.7 Ų87.755%0.55448%0.479SS*.Hα-helixtrans-58.1-37-179.900000113.5R135 S136A132-R135 VanDerWaalsContact CA-NH1 3.3Å; A132-R135 PolarHBondContact O-N 3.34Å; A132-S136 PolarHBondContact O-N 2.97Å
133E92.9Very high91.1Very high125 Ų12583.9 Ų83.958%0.58447%0.473SS*.Hα-helixtrans-66.7-39.5177.4-66.7175143.200111.5N131 S136 R137N131-E133 VanDerWaalsContact C-N 3.29Å; N131-E133 PolarHBondContact O-N 2.87Å; N131-E133 WeakPolarHBondContact OD1-CB 3.39Å; N131-E133 PolarHBondContact OD1-N 3.4Å; E133-S136 PolarHBondContact O-N 2.95Å; E133-R137 WeakPolarHBondContact O-CB 3.49Å; E133-R137 VanDerWaalsContact O-CG 3.26Å; E133-R137 WeakPolarHBondContact O-CG 3.16Å; E133-R137 PolarHBondContact O-N 2.98Å
134V92.1Very high91Very high84 Ų8480.8 Ų80.851%0.50947%0.468SS..Hα-helixtrans-66.4-42.5177.7177.70000110.4N131 S136 R137 L138N131-V134 HydrophobicContact CB-CB 4.36Å; N131-V134 HydrophobicContact CB-CG2 4Å; N131-V134 PolarHBondContact O-N 2.97Å; N131-V134 VanDerWaalsContact O-N 3.15Å; V134-S136 PolarHBondContact O-N 3.48Å; V134-R137 PolarHBondContact O-N 3.22Å; V134-L138 WeakPolarHBondContact O-CB 3.09Å; V134-L138 PolarHBondContact O-N 3.12Å
135R91.8Very high91Very high63 Ų6382.5 Ų82.524%0.23848%0.481CS..Hα-helixtrans-57.3-50.2173.2-64.7-171.3-16484.30.3111.3L124 S127 V130 N131 A132 R137 L138 L139L124-R135 HydrophobicContact CB-CG 4.21Å; L124-R135 HydrophobicContact CD1-CB 4.45Å; L124-R135 HydrophobicContact CD1-CG 4.4Å; L124-R135 HydrophobicContact CD2-CG 4.34Å; L124-R135 PolarHBondContact O-NE 3.24Å; S127-R135 PolarHBondContact O-NH2 3.18Å; V130-R135 HydrophobicContact CB-CG 4.3Å; V130-R135 HydrophobicContact CG1-CG 3.73Å; V130-R135 PolarHBondContact O-NH1 2.91Å; V130-R135 PolarHBondContact O-NH2 3.12Å; N131-R135 PolarHBondContact O-N 3.01Å; N131-R135 VanDerWaalsContact O-N 3.07Å; A132-R135 VanDerWaalsContact CA-NH1 3.3Å; A132-R135 PolarHBondContact O-N 3.34Å; R135-R137 VanDerWaalsContact C-N 3.34Å; R135-R137 PolarHBondContact O-N 2.96Å; R135-L138 PolarHBondContact O-N 2.94Å; R135-L139 WeakPolarHBondContact O-CG 2.94Å; R135-L139 PolarHBondContact O-N 3.11Å
136S93Very high91Very high83 Ų8379.2 Ų79.258%0.5846%0.455SS*.Hα-helixtrans-62.6-40.9-178.9-172.10000112.1A132 E133 V134 G140A132-S136 PolarHBondContact O-N 2.97Å; E133-S136 PolarHBondContact O-N 2.95Å; V134-S136 PolarHBondContact O-N 3.48Å; S136-G140 PolarHBondContact O-N 3.45Å
137R95.8Very high90.8Very high190 Ų19076.7 Ų76.772%0.71745%0.448SS*.Hα-helixtrans-65-42.7177.1-74.8178.1-175.6-166.34.2111.8E133 V134 R135 H141E133-R137 WeakPolarHBondContact O-CB 3.49Å; E133-R137 VanDerWaalsContact O-CG 3.26Å; E133-R137 WeakPolarHBondContact O-CG 3.16Å; E133-R137 PolarHBondContact O-N 2.98Å; V134-R137 PolarHBondContact O-N 3.22Å; R135-R137 VanDerWaalsContact C-N 3.34Å; R135-R137 PolarHBondContact O-N 2.96Å; R137-H141 VanDerWaalsContact O-CB 3.28Å; R137-H141 WeakPolarHBondContact O-CB 3.41Å; R137-H141 PolarHBondContact O-N 2.98Å
138L94.8Very high90.9Very high72 Ų7282 Ų8238%0.37747%0.47SS..Hα-helixtrans-65.2-49179.1178.757.9000111.8V120 L124 V134 R135 G140 H141 L142V120-L138 HydrophobicContact CG1-CD2 4.26Å; L124-L138 HydrophobicContact CD1-CD2 3.97Å; V134-L138 WeakPolarHBondContact O-CB 3.09Å; V134-L138 PolarHBondContact O-N 3.12Å; R135-L138 PolarHBondContact O-N 2.94Å; L138-G140 VanDerWaalsContact C-N 3.34Å; L138-G140 PolarHBondContact O-N 3.44Å; L138-H141 WeakPolarHBondContact O-CB 3.22Å; L138-H141 PolarHBondContact O-N 3.33Å; L138-L142 HydrophobicContact CD1-CD1 4.41Å; L138-L142 HydrophobicContact CD1-CG 4.44Å; L138-L142 HydrophobicContact CG-CD1 4.4Å; L138-L142 WeakPolarHBondContact O-CG 3.44Å; L138-L142 PolarHBondContact O-N 3.39Å
139L94.5Very high90.7Very high44 Ų4474.5 Ų74.523%0.2344%0.436CS..Hα-helixtrans-64.5-39.1177.9-65.6179.3000112V120 T121 L124 R135 H141 L142 S143V120-L139 HydrophobicContact CG1-CD2 4.26Å; T121-L139 HydrophobicContact CG2-CD1 4.26Å; T121-L139 VanDerWaalsContact OG1-CD2 3.25Å; T121-L139 WeakPolarHBondContact OG1-CD2 3.45Å; L124-L139 HydrophobicContact CD1-CD2 4.26Å; L124-L139 HydrophobicContact CD1-CG 4.34Å; R135-L139 WeakPolarHBondContact O-CG 2.94Å; R135-L139 PolarHBondContact O-N 3.11Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-L142 PolarHBondContact O-N 3.47Å; L139-S143 WeakPolarHBondContact O-CB 3.42Å; L139-S143 PolarHBondContact O-N 2.97Å; L139-S143 PolarHBondContact O-OG 2.95Å
140G94.8Very high90.2Very high33 Ų3374.5 Ų74.534%0.3442%0.415SS..Hα-helixtrans-63.7-38.1173.600000112.8S136 L138 S144S136-G140 PolarHBondContact O-N 3.45Å; L138-G140 VanDerWaalsContact C-N 3.34Å; L138-G140 PolarHBondContact O-N 3.44Å; G140-S144 WeakPolarHBondContact O-CB 3.41Å; G140-S144 PolarHBondContact O-N 2.9Å; G140-S144 PolarHBondContact O-OG 3.47Å
141H95.6Very high89.3Confident125 Ų12576.5 Ų76.558%0.57943%0.431SS*.Hα-helixtrans-66.4-46.8175.4-179.170.1000112.1R137 L138 L139 S143 S144 C145R137-H141 VanDerWaalsContact O-CB 3.28Å; R137-H141 WeakPolarHBondContact O-CB 3.41Å; R137-H141 PolarHBondContact O-N 2.98Å; L138-H141 WeakPolarHBondContact O-CB 3.22Å; L138-H141 PolarHBondContact O-N 3.33Å; L139-H141 VanDerWaalsContact C-N 3.34Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 PolarHBondContact O-N 3.35Å; H141-S144 PolarHBondContact O-N 3.31Å; H141-C145 WeakPolarHBondContact O-CB 3.41Å; H141-C145 PolarHBondContact O-N 3.31Å
142L95.1Very high87.9Confident35 Ų3578.1 Ų78.118%0.18344%0.443CS..Hα-helixtrans-61.1-42.6177.1-69.8171.2000112F113 M117 V120 L138 L139 S144 C145 M146F113-L142 WeakPolarHBondContact CE1-O 3.21Å; F113-L142 HydrophobicContact CZ-CB 4.38Å; F113-L142 HydrophobicContact CZ-CD2 4.05Å; M117-L142 HydrophobicContact CG-CB 4.16Å; M117-L142 HydrophobicContact CG-CD1 4.31Å; M117-L142 HydrophobicContact SD-CB 4.19Å; V120-L142 HydrophobicContact CB-CD1 4.39Å; V120-L142 HydrophobicContact CG1-CD1 4.02Å; L138-L142 HydrophobicContact CD1-CD1 4.41Å; L138-L142 HydrophobicContact CD1-CG 4.44Å; L138-L142 HydrophobicContact CG-CD1 4.4Å; L138-L142 WeakPolarHBondContact O-CG 3.44Å; L138-L142 PolarHBondContact O-N 3.39Å; L139-L142 PolarHBondContact O-N 3.47Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-S144 PolarHBondContact O-N 3.25Å; L142-C145 PolarHBondContact O-N 2.78Å; L142-M146 PolarHBondContact O-N 3.01Å
143S92.8Very high86.4Confident60 Ų6078.2 Ų78.242%0.4244%0.437SS..Hα-helixtrans-62.3-40.8175.5-58.30000111.6L139 H141 M146 G147L139-S143 WeakPolarHBondContact O-CB 3.42Å; L139-S143 PolarHBondContact O-N 2.97Å; L139-S143 PolarHBondContact O-OG 2.95Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 PolarHBondContact O-N 3.35Å; S143-M146 PolarHBondContact O-N 3.49Å; S143-G147 PolarHBondContact O-N 3.02Å
144S93Very high84.3Confident65 Ų6581.7 Ų81.746%0.45545%0.446SS..Hα-helixtrans-69.4-38177.3-63.80000112.6G140 H141 L142 M146 G147 Q148G140-S144 WeakPolarHBondContact O-CB 3.41Å; G140-S144 PolarHBondContact O-N 2.9Å; G140-S144 PolarHBondContact O-OG 3.47Å; H141-S144 PolarHBondContact O-N 3.31Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-S144 PolarHBondContact O-N 3.25Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 3.32Å; S144-G147 PolarHBondContact O-N 2.98Å; S144-G147 VanDerWaalsContact O-N 3.16Å; S144-Q148 WeakPolarHBondContact O-CG 3.43Å; S144-Q148 PolarHBondContact O-N 2.94Å
145C92.9Very high82Confident51 Ų5183 Ų8335%0.34546%0.457SS..Hα-helixtrans-60.6-42.3174.2-170.30000110.7F113 H141 L142 Q148 M149F113-C145 HydrophobicContact CZ-CB 4.38Å; H141-C145 WeakPolarHBondContact O-CB 3.41Å; H141-C145 PolarHBondContact O-N 3.31Å; L142-C145 PolarHBondContact O-N 2.78Å; C145-Q148 PolarHBondContact O-N 3.44Å; C145-M149 PolarHBondContact O-N 3.47Å
146M88.3Confident79.4Confident28 Ų2888.6 Ų88.614%0.13849%0.486CS..Hα-helixtrans-65.6-36.6172.8-173.1166.15400113.1F113 N114 M117 L142 S143 S144 M149 M150F113-M146 HydrophobicContact CD1-CB 4.14Å; F113-M146 HydrophobicContact CD1-CG 4.38Å; F113-M146 HydrophobicContact CD1-SD 4.03Å; F113-M146 HydrophobicContact CE1-CB 3.8Å; F113-M146 HydrophobicContact CE1-SD 4.47Å; N114-M146 PolarHBondContact ND2-SD 3.41Å; M117-M146 HydrophobicContact CE-CE 3.99Å; M117-M146 HydrophobicContact SD-CE 4.36Å; L142-M146 PolarHBondContact O-N 3.01Å; S143-M146 PolarHBondContact O-N 3.49Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 3.32Å; M146-M149 HydrophobicContact CB-SD 4.46Å; M146-M149 HydrophobicContact CG-SD 4.15Å; M146-M149 WeakPolarHBondContact O-CG 3.2Å; M146-M150 VanDerWaalsContact O-CG 3.28Å; M146-M150 WeakPolarHBondContact O-CG 3.22Å; M146-M150 PolarHBondContact O-N 3.34Å
147G85.9Confident77.1Confident44 Ų4493.2 Ų93.245%0.45450%0.498SS..Hα-helixtrans-64.7-43.1174.700000113S143 S144 M149 M150 S151S143-G147 PolarHBondContact O-N 3.02Å; S144-G147 PolarHBondContact O-N 2.98Å; S144-G147 VanDerWaalsContact O-N 3.16Å; G147-M149 PolarHBondContact O-N 3.05Å; G147-M150 PolarHBondContact O-N 2.86Å; G147-S151 PolarHBondContact O-N 3.22Å
148Q85.3Confident74.3Confident135 Ų13587.9 Ų87.963%0.63149%0.494SS*.Hα-helixtrans-66.7-35.8-179.7-72.3176.733.700112.9S144 C145 M150 S151S144-Q148 WeakPolarHBondContact O-CG 3.43Å; S144-Q148 PolarHBondContact O-N 2.94Å; C145-Q148 PolarHBondContact O-N 3.44Å; Q148-M150 VanDerWaalsContact C-N 3.27Å; Q148-M150 PolarHBondContact O-N 3.41Å; Q148-S151 PolarHBondContact O-N 2.87Å; Q148-S151 PolarHBondContact O-OG 3.41Å
149M79.3Confident71.8Confident40 Ų4090.3 Ų90.320%0.19752%0.515CS..Hα-helixtrans-65.8-29.4173.860.5175.57000112.5Y109 F113 C145 M146 G147 T153Y109-M149 HydrophobicContact CD1-SD 4.33Å; Y109-M149 HydrophobicContact CE1-CE 3.67Å; Y109-M149 HydrophobicContact CE1-SD 3.9Å; F113-M149 HydrophobicContact CD2-CE 4.21Å; F113-M149 HydrophobicContact CE2-CE 4.3Å; F113-M149 HydrophobicContact CG-CE 4.43Å; C145-M149 PolarHBondContact O-N 3.47Å; M146-M149 HydrophobicContact CB-SD 4.46Å; M146-M149 HydrophobicContact CG-SD 4.15Å; M146-M149 WeakPolarHBondContact O-CG 3.2Å; G147-M149 PolarHBondContact O-N 3.05Å; M149-T153 PolarHBondContact O-OG1 3.22Å
150M71.1Confident69.3Low84 Ų8493.8 Ų93.841%0.41454%0.542SS..Hα-helixtrans-73.6-26.2179.3-61.5-67.2102.300112.9R110 M146 G147 Q148 V152R110-M150 HydrophobicContact CG-CE 4.43Å; M146-M150 VanDerWaalsContact O-CG 3.28Å; M146-M150 WeakPolarHBondContact O-CG 3.22Å; M146-M150 PolarHBondContact O-N 3.34Å; G147-M150 PolarHBondContact O-N 2.86Å; Q148-M150 VanDerWaalsContact C-N 3.27Å; Q148-M150 PolarHBondContact O-N 3.41Å; M150-V152 VanDerWaalsContact C-N 3.33Å
151S65.8Low66.6Low90 Ų90100.4 Ų100.463%0.62957%0.565SS**Hα-helixtrans-76.3-19.6179.661.50000113.8G147 Q148G147-S151 PolarHBondContact O-N 3.22Å; Q148-S151 PolarHBondContact O-N 2.87Å; Q148-S151 PolarHBondContact O-OG 3.41Å
152V61.5Low64.3Low122 Ų122100 Ų10074%0.73957%0.573SS**Hα-helixtrans-83.4-25.2-177.6179.60000112.1M150M150-V152 VanDerWaalsContact C-N 3.33Å
153T59Low61.6Low69 Ų69103.3 Ų103.342%0.42361%0.605SS.*Hα-helixtrans-91.7-16.3-170.3-45.10000114.4M149 P155M149-T153 PolarHBondContact O-OG1 3.22Å; T153-P155 WeakPolarHBondContact O-CD 3.34Å
154Y47.2Very low59.2Low198 Ų198109.4 Ų109.478%0.77663%0.627SS**  trans-109.598.4176.5-107-90.7000110.8Q156Y154-Q156 PolarHBondContact O-N 3.09Å; Y154-Q156 VanDerWaalsContact O-N 3.1Å
155P44.7Very low56.8Low112 Ų112114.1 Ų114.173%0.72765%0.646SS**  trans-62.5113.1149.527.2-28.6000106.4T153 Q157T153-P155 WeakPolarHBondContact O-CD 3.34Å; P155-Q157 PolarHBondContact O-N 3.45Å
156Q37.2Very low54.4Low181 Ų181115.9 Ų115.985%0.84666%0.664SS**  trans-52.297177.3-179.4173.6-18.800110.6Y154 A158Y154-Q156 PolarHBondContact O-N 3.09Å; Y154-Q156 VanDerWaalsContact O-N 3.1Å; Q156-A158 PolarHBondContact O-N 3.43Å
157Q43.8Very low52Low180 Ų180123.8 Ų123.884%0.84170%0.701SS**  trans-75110.6159.6-82.1-175.1-38.200107.3P155P155-Q157 PolarHBondContact O-N 3.45Å
158A37.1Very low49.9Very low77 Ų77127.7 Ų127.764%0.63672%0.718SS**  trans-58138170.100000109.9Q156 S160Q156-A158 PolarHBondContact O-N 3.43Å; A158-S160 PolarHBondContact O-N 3.46Å
159P43.2Very low47.4Very low124 Ų124129.3 Ų129.381%0.80573%0.73SS**  trans-71.9112179.727.4-31000110.2Q161P159-Q161 PolarHBondContact O-N 3.29Å
160S41.1Very low45.7Very low116 Ų116134.8 Ų134.881%0.81176%0.755SS**  trans-77.2109165.337.60000109.6A158A158-S160 PolarHBondContact O-N 3.46Å
161Q38.9Very low44Very low173 Ų173136.5 Ų136.581%0.80877%0.77SS**  trans-61.6140.4170.3-69-88.21200110.8P159 A163P159-Q161 PolarHBondContact O-N 3.29Å; Q161-A163 PolarHBondContact O-N 3.11Å
162P47.3Very low42.7Very low116 Ų116139.8 Ų139.875%0.75378%0.776SS**  trans-79.6112.8174.629.5-29.6000110.7
163A39.4Very low41.4Very low104 Ų104141.6 Ų141.686%0.8678%0.78SS**PPolyproline II helixtrans-77.9125.1172.600000110.8Q161Q161-A163 PolarHBondContact O-N 3.11Å
164H42Very low40.3Very low189 Ų189144 Ų14488%0.87580%0.797SS**PPolyproline II helixtrans-52.5147.3-178.6-112.8-108.5000115.1
165L41.1Very low39.6Very low163 Ų163140.4 Ų140.485%0.85380%0.801SS**PPolyproline II helixtrans-61.3141168.1-81.3155000113.1
166A44.4Very low39.3Very low89 Ų89141 Ų14174%0.73680%0.803SS**  trans63.7115.5147.200000120.2
167Q36.5Very low39.1Very low194 Ų194140 Ų14091%0.90780%0.802SS**  trans-152.1147.4132.2-73.2-155.2-15.800111.6
168P42.3Very low39Very low126 Ų126136.5 Ų136.582%0.81880%0.795SS**  trans-85.8139.3-175.434.1-31.6000112.5H170P168-H170 PolarHBondContact O-N 3.43Å
169L32.9Very low39.1Very low168 Ų168140.3 Ų140.388%0.8880%0.803SS**  trans-73113.2176-99.4141.3000111.1
170H42.6Very low38.5Very low155 Ų155140.1 Ų140.172%0.71881%0.805SS**  trans-78.3115.6161.4-178.4-174.8000108.3P168P168-H170 PolarHBondContact O-N 3.43Å
171V37.1Very low38.1Very low121 Ų121139.8 Ų139.873%0.73380%0.802SS**  trans-87.6112.1173.7175.60000108.6
172Q36.8Very low37.7Very low159 Ų159141.6 Ų141.674%0.74381%0.808SS**  trans-110.6119.2169.5-168150.4-29.100109.5
173L35.9Very low37Very low159 Ų159144.2 Ų144.283%0.83282%0.815SS**PPolyproline II helixtrans-88.5130.6179.9-168.674.3000110.1
174P35.8Very low36.5Very low120 Ų120145 Ų14578%0.77981%0.814SS**PPolyproline II helixtrans-88.7135.4172.4-7.725.8000113.1
175S31Very low36.7Very low123 Ų123141.6 Ų141.686%0.8681%0.809SS**PPolyproline II helixtrans-75.9166166.6-91.70000113
176T37.9Very low36.5Very low125 Ų125138.6 Ų138.677%0.76781%0.807SS**PPolyproline II helixtrans-76.9135.4-165.1520000117.4
177L33.1Very low35.8Very low158 Ų158143.5 Ų143.583%0.82782%0.815SS**  trans58.3163.8141.9-71.7168.2000121.3
178P43.5Very low35.9Very low108 Ų108138.9 Ų138.970%0.70181%0.81SS**  cis-135.8164.1-4.628.7-5.2000118.1
179I39.3Very low35.7Very low156 Ų156139.1 Ų139.180%0.881%0.809SS**  trans39.7121.7142.8-60.1167.6000121.1
180S29.3Very low36Very low121 Ų121135.7 Ų135.785%0.84680%0.799SS**  -166.2142.9125.9-163.40000113
181S33.1Very low36.1Very low108 Ų108131.1 Ų131.176%0.75578%0.783SS**  trans-78.9142.8-169.1-44.30000114.6
182K30.2Very low36.5Very low211 Ų211134.1 Ų134.192%0.91779%0.786SS**  trans-170.3130.5136.2-135.9173.2177.5178.20113.2
183L32.3Very low37Very low172 Ų172130.8 Ų130.890%0.90178%0.776SS**  trans-75.3136171.5-74.5145.8000111.4
184S29.7Very low37.6Very low121 Ų121132.3 Ų132.385%0.84678%0.776SS**  trans-168.3153.4132.6-121.50000111.9
185P45.1Very low38.3Very low117 Ų117130 Ų13076%0.7678%0.775SS**  trans-96.3165.4-163.938.4-32000112.6
186A38.3Very low39.6Very low99 Ų99126.4 Ų126.482%0.81876%0.757SS**  trans80.487.2172.100000116.1
187E29.1Very low40.3Very low192 Ų192124.9 Ų124.990%0.89774%0.74SS**  trans-146.3121.8131-112.2-178.5108.300108.3V189E187-V189 PolarHBondContact O-N 3.31Å
188A39Very low41.7Very low98 Ų98120.5 Ų120.581%0.8172%0.715SS**  trans-65.5100.7179.100000109.1S190A188-S190 PolarHBondContact O-N 3.18Å
189V37.3Very low42.2Very low130 Ų130118.4 Ų118.479%0.78870%0.698SS**  trans-64105.5165.4169.30000106.9E187 P191E187-V189 PolarHBondContact O-N 3.31Å; V189-P191 WeakPolarHBondContact O-CD 3.37Å
190S38.8Very low43.5Very low96 Ų96113.9 Ų113.967%0.67168%0.677SS**  trans-55.7119.9172.7-65.80000108.1A188 K192A188-S190 PolarHBondContact O-N 3.18Å; S190-K192 PolarHBondContact O-N 2.98Å; S190-K192 VanDerWaalsContact O-N 3.08Å
191P44.8Very low44.6Very low59 Ų59112.6 Ų112.638%0.38367%0.666SS.*  trans-72.3115.1-171.729.7-35.7000108.8V189 V193 Q198V189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-V193 PolarHBondContact O-N 2.82Å; P191-V193 VanDerWaalsContact O-N 3.15Å; P191-Q198 VanDerWaalsContact CB-CD 3.47Å; P191-Q198 HydrophobicContact CB-CG 3.99Å; P191-Q198 HydrophobicContact CG-CG 4.3Å; P191-Q198 PolarHBondContact O-NE2 3.39Å
192K47.1Very low45.8Very low184 Ų184109.3 Ų109.380%0.865%0.646SS**  trans-66113.7176.8-117.495171.5-173.20107.7S190S190-K192 PolarHBondContact O-N 2.98Å; S190-K192 VanDerWaalsContact O-N 3.08Å
193V45.8Very low46.7Very low90 Ų90107 Ų10755%0.54565%0.649SS.*EExtended strand (participates in β ladder)trans-80.5119.8173.7-179.50000107.7P191P191-V193 PolarHBondContact O-N 2.82Å; P191-V193 VanDerWaalsContact O-N 3.15Å
194F48.3Very low47.9Very low190 Ų190103.4 Ų103.483%0.83363%0.631SS**EExtended strand (participates in β ladder)trans-112113.9169.8-134.5-93.5000107.4G196 F197F194-G196 VanDerWaalsContact C-N 3.3Å; F194-G196 PolarHBondContact O-N 3.17Å; F194-F197 PolarHBondContact O-N 3.33Å
195G52.4Low49.3Very low72 Ų72100.5 Ų100.574%0.74262%0.62SS**THydrogen-bonded Turntrans61.726.817500000116.4
196G58.1Low49.8Very low47 Ų47100 Ų10049%0.48561%0.608SS.*THydrogen-bonded Turntrans92.42.1175.900000116F194F194-G196 VanDerWaalsContact C-N 3.3Å; F194-G196 PolarHBondContact O-N 3.17Å
197F51.5Low51Low93 Ų93102 Ų10241%0.40860%0.598SS.*EExtended strand (participates in β ladder)trans-108.3139176.5-57.4-80.7000111.1F194 I211F194-F197 PolarHBondContact O-N 3.33Å; F197-I211 HydrophobicContact CD1-CB 4.32Å; F197-I211 HydrophobicContact CD1-CG1 3.79Å; F197-I211 HydrophobicContact CD1-CG2 4.44Å; F197-I211 HydrophobicContact CE1-CB 4.26Å; F197-I211 HydrophobicContact CE1-CD1 4.24Å; F197-I211 HydrophobicContact CE1-CG1 3.77Å; F197-I211 HydrophobicContact CE1-CG2 3.96Å
198Q63Low52.6Low66 Ų6695.2 Ų95.231%0.30858%0.575SS.*EExtended strand (participates in β ladder)trans-94.8117178.1-174.2104.2101.300109.3P191 V200 L210P191-Q198 VanDerWaalsContact CB-CD 3.47Å; P191-Q198 HydrophobicContact CB-CG 3.99Å; P191-Q198 HydrophobicContact CG-CG 4.3Å; P191-Q198 PolarHBondContact O-NE2 3.39Å; Q198-V200 HydrophobicContact CG-CG2 4.23Å; Q198-L210 HydrophobicContact CB-CB 4.11Å; Q198-L210 HydrophobicContact CB-CD1 4.47Å; Q198-L210 HydrophobicContact CG-CD1 4.34Å; Q198-L210 PolarHBondContact N-O 3.41Å; Q198-L210 PolarHBondContact O-N 3.37Å
199L54.6Low53.8Low64 Ų6497.6 Ų97.634%0.33557%0.568SS.*EExtended strand (participates in β ladder)trans-91.9123.4176.3-162.771.7000109.5F207 A208 F209L199-F207 HydrophobicContact CD1-CB 3.86Å; L199-F207 HydrophobicContact CD2-CB 4.36Å; L199-F207 HydrophobicContact CD2-CD1 3.87Å; L199-F207 HydrophobicContact CD2-CG 4.35Å; L199-F207 HydrophobicContact CG-CB 4.17Å; L199-F207 HydrophobicContact CG-CD1 4.16Å; L199-A208 WeakPolarHBondContact CA-O 3.24Å; L199-F209 HydrophobicContact CD1-CD1 3.56Å; L199-F209 HydrophobicContact CD1-CD2 4.01Å; L199-F209 HydrophobicContact CD1-CE1 3.41Å; L199-F209 VanDerWaalsContact CD1-CE1 3.41Å; L199-F209 HydrophobicContact CD1-CE2 3.86Å; L199-F209 HydrophobicContact CD1-CG 3.86Å; L199-F209 HydrophobicContact CD1-CZ 3.56Å
200V64.8Low55Low61 Ų6195.5 Ų95.537%0.3755%0.552SS.*EExtended strand (participates in β ladder)trans-120.3129.9176.8178.40000109.4Q198 A202 A208 L210Q198-V200 HydrophobicContact CG-CG2 4.23Å; V200-A202 PolarHBondContact O-N 3.34Å; V200-A208 PolarHBondContact N-O 3.31Å; V200-A208 PolarHBondContact O-N 3.27Å; V200-L210 HydrophobicContact CB-CD1 4.37Å; V200-L210 HydrophobicContact CG2-CD1 3.56Å
201P54.1Low56.1Low94 Ų9497 Ų9761%0.6155%0.551SS**EExtended strand (participates in β ladder)trans-69.9127.1174.326.8-31000110.2
202A57.2Low56.2Low40 Ų4098.6 Ų98.633%0.33156%0.561SS.*  trans-84.4155171.500000110.7V200 D204 G205 Q206V200-A202 PolarHBondContact O-N 3.34Å; A202-D204 WeakPolarHBondContact CB-OD1 3.14Å; A202-D204 PolarHBondContact O-N 2.78Å; A202-G205 PolarHBondContact O-N 2.96Å; A202-G205 VanDerWaalsContact O-N 3.1Å; A202-Q206 VanDerWaalsContact CB-O 3.32Å; A202-Q206 WeakPolarHBondContact CB-O 3.35Å; A202-Q206 PolarHBondContact N-O 2.87Å
203T50Low56Low161 Ų16196.8 Ų96.899%0.98856%0.56SS**THydrogen-bonded Turntrans-66.6-5.1-174.350.70000114.5
204D57.5Low55.8Low97 Ų9797.4 Ų97.452%0.51957%0.566SS.*THydrogen-bonded Turntrans-106.26.1177.768.7-15.8000113.4A202 Q206A202-D204 WeakPolarHBondContact CB-OD1 3.14Å; A202-D204 PolarHBondContact O-N 2.78Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.47Å; D204-Q206 PolarHBondContact OD1-N 2.98Å; D204-Q206 VanDerWaalsContact OD1-N 3.1Å; D204-Q206 PolarHBondContact OD2-NE2 2.96Å
205G57.8Low55.7Low61 Ų6194.2 Ų94.263%0.62956%0.564SS**SBendtrans854.1-178.900000114.7A202A202-G205 PolarHBondContact O-N 2.96Å; A202-G205 VanDerWaalsContact O-N 3.1Å
206Q57.3Low55.1Low106 Ų106100.7 Ų100.750%0.49557%0.572SS.*  trans-85.8154.4171.3-60.8-171.664.800111.3A202 D204A202-Q206 VanDerWaalsContact CB-O 3.32Å; A202-Q206 WeakPolarHBondContact CB-O 3.35Å; A202-Q206 PolarHBondContact N-O 2.87Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.47Å; D204-Q206 PolarHBondContact OD1-N 2.98Å; D204-Q206 VanDerWaalsContact OD1-N 3.1Å; D204-Q206 PolarHBondContact OD2-NE2 2.96Å
207F62.1Low54Low141 Ų141102.7 Ų102.762%0.61858%0.584SS**EExtended strand (participates in β ladder)trans-105.2126.4176.9-63-87.4000110.2L199L199-F207 HydrophobicContact CD1-CB 3.86Å; L199-F207 HydrophobicContact CD2-CB 4.36Å; L199-F207 HydrophobicContact CD2-CD1 3.87Å; L199-F207 HydrophobicContact CD2-CG 4.35Å; L199-F207 HydrophobicContact CG-CB 4.17Å; L199-F207 HydrophobicContact CG-CD1 4.16Å
208A63.6Low53.3Low50 Ų50103.3 Ų103.341%0.41360%0.6SS.*EExtended strand (participates in β ladder)trans-101.5134.3176.500000110.7L199 V200L199-A208 WeakPolarHBondContact CA-O 3.24Å; V200-A208 PolarHBondContact N-O 3.31Å; V200-A208 PolarHBondContact O-N 3.27Å
209F63Low51.9Low148 Ų148107 Ų10765%0.64963%0.628SS**EExtended strand (participates in β ladder)trans-96.7119.5173.1-64.5-94.1000109.5L199L199-F209 HydrophobicContact CD1-CD1 3.56Å; L199-F209 HydrophobicContact CD1-CD2 4.01Å; L199-F209 HydrophobicContact CD1-CE1 3.41Å; L199-F209 VanDerWaalsContact CD1-CE1 3.41Å; L199-F209 HydrophobicContact CD1-CE2 3.86Å; L199-F209 HydrophobicContact CD1-CG 3.86Å; L199-F209 HydrophobicContact CD1-CZ 3.56Å
210L63.6Low51.4Low86 Ų86108.7 Ų108.745%0.4565%0.651SS.*EExtended strand (participates in β ladder)trans-91.9118171.7-74.2150.2000108.9Q198 V200Q198-L210 HydrophobicContact CB-CB 4.11Å; Q198-L210 HydrophobicContact CB-CD1 4.47Å; Q198-L210 HydrophobicContact CG-CD1 4.34Å; Q198-L210 PolarHBondContact N-O 3.41Å; Q198-L210 PolarHBondContact O-N 3.37Å; V200-L210 HydrophobicContact CB-CD1 4.37Å; V200-L210 HydrophobicContact CG2-CD1 3.56Å
211I61.4Low50Low127 Ų127111.9 Ų111.965%0.65167%0.67SS**  trans-95.2115.9173-54.1-177.9000107.7F197 N213F197-I211 HydrophobicContact CD1-CB 4.32Å; F197-I211 HydrophobicContact CD1-CG1 3.79Å; F197-I211 HydrophobicContact CD1-CG2 4.44Å; F197-I211 HydrophobicContact CE1-CB 4.26Å; F197-I211 HydrophobicContact CE1-CD1 4.24Å; F197-I211 HydrophobicContact CE1-CG1 3.77Å; F197-I211 HydrophobicContact CE1-CG2 3.96Å; I211-N213 PolarHBondContact O-N 2.99Å
212P46.5Very low49.7Very low93 Ų93114.1 Ų114.160%0.60468%0.683SS**PPolyproline II helixtrans-67.1120.9171.4-14.128.4000109.4
213N43.2Very low48.7Very low145 Ų145116.2 Ų116.278%0.77570%0.7SS**PPolyproline II helixtrans-72.7130.4169.6-164.243000108.5I211I211-N213 PolarHBondContact O-N 2.99Å
214P42.9Very low48.1Very low103 Ų103114.2 Ų114.267%0.66969%0.689SS**PPolyproline II helixtrans-63.5133.9175.824.5-31.6000109.9F216P214-F216 PolarHBondContact O-N 3.26Å
215P46Very low47.4Very low123 Ų123115.5 Ų115.580%0.79970%0.701SS**PPolyproline II helixtrans-73.7119.8-167.828.1-33.1000111.3
216F39.3Very low46.4Very low208 Ų208119.6 Ų119.691%0.91271%0.707SS**PPolyproline II helixtrans-75.4135.3144.9-120.1-96.2000107P214 S218P214-F216 PolarHBondContact O-N 3.26Å; F216-S218 PolarHBondContact O-N 2.99Å
217A35.3Very low45.6Very low89 Ų89118.6 Ų118.674%0.73671%0.709SS**SBendtrans-49.2131.9-17200000113.5
218S37.4Very low44.7Very low107 Ų107119.8 Ų119.875%0.74872%0.721SS**  trans32.1115.2150.2-53.60000118.7F216F216-S218 PolarHBondContact O-N 2.99Å
219T32.2Very low43.8Very low143 Ų143124.3 Ų124.388%0.87773%0.732SS**  178.3147.910930.90000109.5T221T219-T221 PolarHBondContact O-N 2.97Å
220A44.9Very low42.5Very low99 Ų99123.5 Ų123.582%0.81875%0.745SS**  trans-51.7115.5-174.900000113.3
221T35.3Very low41.2Very low128 Ų128126.4 Ų126.479%0.78576%0.761SS**  trans-162.3134143.6-24.40000109.6T219 A223T219-T221 PolarHBondContact O-N 2.97Å; T221-A223 PolarHBondContact O-N 3.24Å; T221-A223 VanDerWaalsContact O-N 3.1Å
222T48.2Very low40.1Very low142 Ų142125.1 Ų125.187%0.87177%0.769SS**  trans-53.8107.517346.90000111.1
223A36.1Very low40Very low83 Ų83123.9 Ų123.969%0.68677%0.773SS**PPolyproline II helixtrans-102142.7171.400000110.5T221 V225T221-A223 PolarHBondContact O-N 3.24Å; T221-A223 VanDerWaalsContact O-N 3.1Å; A223-V225 PolarHBondContact O-N 2.92Å
224P36.6Very low39.7Very low119 Ų119123.3 Ų123.377%0.77377%0.774SS**PPolyproline II helixtrans-72.4127.1-169.327.8-33.6000112.3I226P224-I226 PolarHBondContact O-N 3.33Å
225V42.7Very low39.4Very low125 Ų125124.6 Ų124.676%0.75878%0.783SS**PPolyproline II helixtrans-73.6118.5171.1179.20000108.2A223 P227A223-V225 PolarHBondContact O-N 2.92Å; V225-P227 VanDerWaalsContact O-CD 3.3Å; V225-P227 WeakPolarHBondContact O-CD 3.08Å
226I37.3Very low39Very low147 Ų147126.2 Ų126.275%0.75478%0.783SS**  trans-97.6108.1175.8-56.1174.6000108.3P224 L228P224-I226 PolarHBondContact O-N 3.33Å; I226-L228 PolarHBondContact O-N 3.1Å
227P40.9Very low38.9Very low84 Ų84120.9 Ų120.955%0.54578%0.778SS.*  trans-74.1124.4173.627.4-30.4000110.2V225 F229V225-P227 VanDerWaalsContact O-CD 3.3Å; V225-P227 WeakPolarHBondContact O-CD 3.08Å; P227-F229 HydrophobicContact CB-CE2 4.07Å; P227-F229 HydrophobicContact CB-CZ 4.13Å; P227-F229 HydrophobicContact CG-CE2 3.99Å; P227-F229 HydrophobicContact CG-CZ 4.21Å
228L42Very low39Very low167 Ų167123.2 Ų123.287%0.87478%0.783SS**  trans-96.7108.4172.4-168.474000109.3I226I226-L228 PolarHBondContact O-N 3.1Å
229F44.4Very low38.8Very low144 Ų144125.1 Ų125.163%0.63278%0.784SS**  trans-80.7126.3174.9-59.5-84.3000109.8P227 N231P227-F229 HydrophobicContact CB-CE2 4.07Å; P227-F229 HydrophobicContact CB-CZ 4.13Å; P227-F229 HydrophobicContact CG-CE2 3.99Å; P227-F229 HydrophobicContact CG-CZ 4.21Å; F229-N231 PolarHBondContact O-N 3.47Å
230S36.5Very low38.8Very low132 Ų132123 Ų12392%0.92378%0.781SS**  trans-75.191.7169.8-77.60000109.3
231N35.5Very low38.1Very low147 Ų147122.4 Ų122.479%0.78677%0.771SS**  trans-92.7122.5162.5-166.923.8000109F229 G233F229-N231 PolarHBondContact O-N 3.47Å; N231-G233 PolarHBondContact O-N 3.28Å; N231-G233 VanDerWaalsContact O-N 3.1Å
232A39.8Very low38.3Very low100 Ų100122.1 Ų122.183%0.82677%0.771SS**SBendtrans-65.7109.8176.300000109.8
233G43.8Very low37.6Very low67 Ų67121.9 Ų121.969%0.69177%0.77SS**SBendtrans108.172153.800000118N231N231-G233 PolarHBondContact O-N 3.28Å; N231-G233 VanDerWaalsContact O-N 3.1Å
234V35.8Very low37.5Very low132 Ų132126.6 Ų126.680%0.878%0.777SS**  trans-172137.2136.7-109.60000109.7
235P37.3Very low37.1Very low131 Ų131123.9 Ų123.985%0.85177%0.77SS**PPolyproline II helixtrans-83.1120.6172.531-30000111.1
236I38.6Very low36.5Very low156 Ų156123.5 Ų123.580%0.877%0.773SS**PPolyproline II helixtrans-90124.7163.8-73.2171.3000108.3
237A36Very low36.2Very low96 Ų96122.1 Ų122.179%0.79378%0.777SS**PPolyproline II helixtrans-80.4129.9173.200000110
238V37.9Very low35.9Very low139 Ų139122.5 Ų122.584%0.84279%0.787SS**  trans-106.9112167-70.30000109.2
239N32Very low35.7Very low147 Ų147120.5 Ų120.579%0.78678%0.784SS**  trans-82.1124170.6-177.549.7000108.1
240A33.7Very low35Very low97 Ų97120.3 Ų120.380%0.80279%0.794SS**  trans-117.8102.6172.400000109
241S30.8Very low34.6Very low88 Ų88119.2 Ų119.262%0.61579%0.793SS**PPolyproline II helixtrans-93.2134.2164.4-580000108.6
242P38.1Very low34.3Very low121 Ų121116.9 Ų116.979%0.78680%0.795SS**PPolyproline II helixtrans-87.4123.7167.1-0.319.4000109.7
243V33.2Very low33.7Very low138 Ų138117.7 Ų117.784%0.83679%0.794SS**PPolyproline II helixtrans-89.4119.7168.5-161.30000106.7
244H34.8Very low33.7Very low182 Ų182119.6 Ų119.684%0.84379%0.794SS**  trans-122.5118.1165-102.9-81.4000108.7
245G28.1Very low33.4Very low61 Ų61119.1 Ų119.163%0.62979%0.792SS**  trans-98.6149.6167.700000111.3
246S29.4Very low33.1Very low118 Ų118121.8 Ų121.883%0.82579%0.792SS**  trans119.6121.9148.1-63.20000118.2
247S32.2Very low32.6Very low118 Ų118117.8 Ų117.883%0.82579%0.79SS**  trans76.3108.6148.148.40000121
248A33.3Very low32.3Very low91 Ų91122 Ų12275%0.75280%0.795SS**  trans-71.8171.3154.800000111.6
249P38.1Very low32.1Very low126 Ų126122.3 Ų122.382%0.81880%0.797SS**  -138.9161.889.132.6-15000116.8
250T29.8Very low31.9Very low139 Ų139121.1 Ų121.185%0.85380%0.801SS**  trans-27.5140.7169.148.80000121.1
251A29.3Very low31.7Very low109 Ų109125.9 Ų125.990%0.90180%0.804SS**  trans-157.6151.413500000110.7
252A29.5Very low31.6Very low99 Ų99126.4 Ų126.482%0.81881%0.814SS**  trans-91.5155.7-151.600000117.6
253S26.8Very low31.1Very low116 Ų116124.6 Ų124.681%0.81182%0.816SS**  trans1.4171.7141.1-1030000122
254P42.7Very low30.9Very low107 Ų107124.4 Ų124.470%0.69582%0.816SS**  cis-142.6167.66.332.6-9.2000118.5
255V31Very low30.6Very low123 Ų123120.8 Ų120.875%0.74581%0.811SS**  trans21.5138140.6950000122.1
256H30.3Very low30.6Very low187 Ų187126.7 Ų126.787%0.86682%0.822SS**  trans167.9140.1137.8-8995.7000106.1
257G28.3Very low30.5Very low72 Ų72127.6 Ų127.674%0.74282%0.822SS**  cis-179.8153.45.800000106.9
258M30.1Very low30.4Very low184 Ų184128.2 Ų128.291%0.90682%0.82SS**  trans-71.9141.3179.3-58.5163.56300111.2
259T33.2Very low30.3Very low145 Ų145129 Ų12989%0.8982%0.82SS**  trans-152.7139.3137.456.50000110.5
260S27.6Very low31.1Very low122 Ų122128.7 Ų128.785%0.85382%0.818SS**  trans-114.3143.1175.4-170.90000107
261F29.9Very low31.1Very low197 Ų197128.7 Ų128.786%0.86482%0.818SS**  trans-147138.8154.863.5-95.7000111
262A27.7Very low31.3Very low100 Ų100126.7 Ų126.783%0.82681%0.808SS**  trans-78.2154.7-179.800000112.2
263G28.2Very low31.5Very low82 Ų82129.2 Ų129.285%0.84581%0.813SS**  trans-151.3125.7167.300000109.5
264V28.9Very low31.8Very low135 Ų135131.1 Ų131.182%0.81881%0.814SS**  trans-99.9148.1-159.6114.10000112.2
265S27.9Very low31.5Very low106 Ų106130.8 Ų130.874%0.74182%0.82SS**  trans58.3126.6151.9-630000122.5
266Q29.1Very low31.6Very low185 Ų185128.2 Ų128.286%0.86482%0.818SS**  -170.8142.692.6-97.4-162.53.200112.7
267V27.4Very low32Very low137 Ų137124 Ų12483%0.8382%0.816SS**  trans-109.5133.1171.3155.50000107.8
268V29.8Very low32.4Very low130 Ų130129 Ų12979%0.78882%0.82SS**  trans-155.3129.3146.8-1510000110.4
269S30.8Very low33.3Very low107 Ų107125.9 Ų125.975%0.74882%0.816SS**  trans-126.7-174.9159.3-600000106.7
270P54.3Low33.6Very low120 Ų120123.6 Ų123.678%0.77981%0.806SS**  cis-138.2-177.3-9.535.4-13.9000114.5
271V31.5Very low34.2Very low140 Ų140126.1 Ų126.185%0.84881%0.805SS**  trans147.3131.4152.5148.80000108.7
272G33.5Very low35.2Very low66 Ų66121.2 Ų121.268%0.6880%0.8SS**  cis12283.85.600000112.1
273V33.3Very low36.3Very low152 Ų152121.6 Ų121.692%0.92179%0.792SS**  trans-147.8135.8157.5178.30000110.5
274N33.5Very low37.7Very low156 Ų156126.9 Ų126.983%0.83479%0.787SS**  trans-105.4137.1-172.2-172.744.5000110.9
275A36.3Very low38.9Very low100 Ų100130.1 Ų130.183%0.82678%0.784SS**  trans-170.5128.6154.300000105.6
276G32.2Very low40.2Very low69 Ų69130.9 Ų130.971%0.71179%0.786SS**  cis127.6104.824.600000107
277A39.3Very low41.3Very low98 Ų98136.6 Ų136.681%0.8180%0.8SS**  trans62.4112.6164.800000119.6
278E36.5Very low42Very low178 Ų178136.6 Ų136.683%0.83280%0.799SS**  -174.6119.7104.7-99.4-166.287.700110.1S280E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.31Å
279S47.8Very low42.6Very low118 Ų118136.9 Ų136.983%0.82580%0.799SS**  trans-74.788.3168.4175.10000108.5
280S41Very low43.3Very low97 Ų97138.6 Ų138.668%0.67880%0.802SS**  trans-96.799.2162.5-76.90000108.5E278 A282E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.31Å; S280-A282 PolarHBondContact O-N 3.39Å
281E40.2Very low42.6Very low176 Ų176139.6 Ų139.682%0.82280%0.803SS**  trans-54.1106.6163.3-80.3179.797.400108.1V283E281-V283 PolarHBondContact O-N 2.73Å
282A49.6Very low43.3Very low93 Ų93139.6 Ų139.677%0.76980%0.801SS**  trans-67.185.9169.200000108.1S280 W284S280-A282 PolarHBondContact O-N 3.39Å; A282-W284 PolarHBondContact O-N 3.05Å
283V50.6Low44Very low108 Ų108144.5 Ų144.566%0.65581%0.809SS**  trans-56.7103.2168.6175.30000106.8E281 R285E281-V283 PolarHBondContact O-N 2.73Å; V283-R285 PolarHBondContact O-N 3.07Å; V283-R285 VanDerWaalsContact O-N 3.11Å
284W57.7Low44.7Very low194 Ų194144 Ų14474%0.73580%0.801SS**  trans-46.6118.7169.5-92.682.3000109.6A282A282-W284 PolarHBondContact O-N 3.05Å
285R55.1Low45.6Very low202 Ų202143.1 Ų143.176%0.76280%0.798SS**  trans-112.5123.9166.3-68.7-162.5-178.5-99.91.2109.1V283 W287V283-R285 PolarHBondContact O-N 3.07Å; V283-R285 VanDerWaalsContact O-N 3.11Å; R285-W287 PolarHBondContact O-N 3.4Å
286P55.8Low46.4Very low122 Ų122146.7 Ų146.779%0.79280%0.796SS**  trans-85111.7174.130.9-26.3000109.4
287W50.8Low47.7Very low305 Ų305153.7 Ų153.7100%1.15580%0.803SS**  trans-152.60136.345.9-92.3000108.3R285R285-W287 PolarHBondContact O-N 3.4Å

Retrieved 287 of 287 residues in 70.9 ms (Link to these results)