A0A077Z3P4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3P4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 386 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
1M34.7Very low36.5Very low184 Ų184106.4 Ų106.491%0.90661%0.605SS**  0-390-122.1174.6-169.300111.4
2C31.6Very low36.8Very low93 Ų93107.4 Ų107.463%0.62862%0.615SS**Hα-helixtrans-67.5-31.7175.8-57.30000114.3N4 L5 L6C2-N4 PolarHBondContact O-N 3.04Å; C2-L5 PolarHBondContact O-N 3.15Å; C2-L6 WeakPolarHBondContact O-CG 3.43Å; C2-L6 PolarHBondContact O-N 3.33Å
3D32.2Very low36.6Very low122 Ų122114.8 Ų114.865%0.65263%0.627SS**Hα-helixtrans-70.4-30.7-179-58.7-40.6000113.7L6 S7D3-L6 PolarHBondContact O-N 3.34Å; D3-S7 PolarHBondContact O-N 3.46Å
4N38.6Very low36.6Very low112 Ų112120.1 Ų120.160%0.59965%0.646SS**Hα-helixtrans-75.1-29.6176.3-66.3-9.2000111.9C2 S7 D8C2-N4 PolarHBondContact O-N 3.04Å; N4-S7 PolarHBondContact O-OG 3.25Å; N4-D8 WeakPolarHBondContact O-CB 3.26Å; N4-D8 PolarHBondContact O-N 3.11Å
5L36.3Very low36.5Very low123 Ų123124.2 Ų124.264%0.64466%0.658SS**Hα-helixtrans-70.3-33.8174.2-90153.2000112C2 A9C2-L5 PolarHBondContact O-N 3.15Å; L5-A9 VanDerWaalsContact O-CB 3.23Å; L5-A9 WeakPolarHBondContact O-CB 3.46Å; L5-A9 PolarHBondContact O-N 3.37Å
6L37.4Very low36.2Very low94 Ų94121.4 Ų121.449%0.49265%0.648SS.*Hα-helixtrans-75.4-32.5177.4-71.7165.2000112.3C2 D3 V11C2-L6 WeakPolarHBondContact O-CG 3.43Å; C2-L6 PolarHBondContact O-N 3.33Å; D3-L6 PolarHBondContact O-N 3.34Å; L6-V11 PolarHBondContact O-N 3.33Å
7S40.5Very low35.8Very low84 Ų84120.9 Ų120.959%0.58765%0.65SS**Hα-helixtrans-76.4-37.2173.580.50000112.8D3 N4 A9 D10D3-S7 PolarHBondContact O-N 3.46Å; N4-S7 PolarHBondContact O-OG 3.25Å; S7-A9 VanDerWaalsContact C-N 3.27Å; S7-A9 PolarHBondContact O-N 3.3Å; S7-D10 PolarHBondContact O-N 2.9Å
8D39.7Very low35.4Very low96 Ų96123.6 Ų123.651%0.51366%0.655SS.*Hα-helixtrans-69.8-23.1176.9-89.1-21.9000113.4N4 R39N4-D8 WeakPolarHBondContact O-CB 3.26Å; N4-D8 PolarHBondContact O-N 3.11Å; D8-R39 PolarHBondContact O-NH2 3.34Å
9A38.7Very low35.1Very low62 Ų62119.7 Ų119.751%0.51265%0.648SS.*THydrogen-bonded Turntrans-91.62.8179.300000114.7L5 S7 V11L5-A9 VanDerWaalsContact O-CB 3.23Å; L5-A9 WeakPolarHBondContact O-CB 3.46Å; L5-A9 PolarHBondContact O-N 3.37Å; S7-A9 VanDerWaalsContact C-N 3.27Å; S7-A9 PolarHBondContact O-N 3.3Å; A9-V11 HydrophobicContact CB-CG2 3.97Å; A9-V11 PolarHBondContact O-N 3.06Å
10D37Very low35Very low129 Ų129121.9 Ų121.969%0.6965%0.651SS**THydrogen-bonded Turntrans55.930179.7-155.720.6000113.8S7 T12S7-D10 PolarHBondContact O-N 2.9Å; D10-T12 PolarHBondContact O-N 3.24Å; D10-T12 VanDerWaalsContact O-N 3.15Å
11V35.1Very low34.9Very low71 Ų71121.9 Ų121.943%0.4365%0.647SS.*  trans-88.779.7179.1-174.90000108.8L6 A9 R13L6-V11 PolarHBondContact O-N 3.33Å; A9-V11 HydrophobicContact CB-CG2 3.97Å; A9-V11 PolarHBondContact O-N 3.06Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 2.8Å
12T39.6Very low34.8Very low119 Ų119119.3 Ų119.373%0.7364%0.636SS**  trans-83.41.6-176.544.50000114.8D10D10-T12 PolarHBondContact O-N 3.24Å; D10-T12 VanDerWaalsContact O-N 3.15Å
13R34.8Very low34.8Very low203 Ų203120.7 Ų120.777%0.76664%0.641SS**  trans-114.8110.7-176.1-69.3-170.9178.6-173.30.4112.6V11 H15V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 2.8Å; R13-H15 PolarHBondContact O-N 3.22Å
14Q35.9Very low34.9Very low190 Ų190120.9 Ų120.989%0.88864%0.643SS**THydrogen-bonded Turntrans-64.913.9-179.9-68.8-177.1-27.800116
15H35.3Very low34.4Very low181 Ų181122.2 Ų122.284%0.83865%0.649SS**THydrogen-bonded Turntrans-125.910.4-170-72.9-68.3000115.7R13R13-H15 PolarHBondContact O-N 3.22Å
16T32.2Very low34Very low79 Ų79121.6 Ų121.649%0.48565%0.652SS.*  trans-77.1134.1175.149.50000111.1F18 G19T16-F18 PolarHBondContact O-N 3.46Å; T16-G19 PolarHBondContact O-N 2.91Å
17V29.8Very low33.7Very low114 Ų114123.6 Ų123.669%0.69167%0.673SS**THydrogen-bonded Turntrans-42.7-26174.3178.50000113.2G19 K20V17-G19 VanDerWaalsContact C-N 3.26Å; V17-G19 PolarHBondContact O-N 2.84Å; V17-K20 PolarHBondContact O-N 2.9Å; V17-K20 VanDerWaalsContact O-N 3.16Å
18F28.6Very low33.2Very low169 Ų169124.5 Ų124.574%0.74168%0.679SS**Hα-helixtrans-52.7-30.1171.3-115.4-93.9000116.2T16T16-F18 PolarHBondContact O-N 3.46Å
19G29.9Very low32.6Very low50 Ų50125.5 Ų125.552%0.51569%0.692SS.*Hα-helixtrans-79.1-19.1179.400000114.4T16 V17T16-G19 PolarHBondContact O-N 2.91Å; V17-G19 VanDerWaalsContact C-N 3.26Å; V17-G19 PolarHBondContact O-N 2.84Å
20K31.5Very low32Very low163 Ų163128.2 Ų128.271%0.70971%0.706SS**Hα-helixtrans-87.7-25.4-177.8-79.5-177.5172.7-178.90113.1V17V17-K20 PolarHBondContact O-N 2.9Å; V17-K20 VanDerWaalsContact O-N 3.16Å
21E34.1Very low31.6Very low121 Ų121131.5 Ų131.557%0.56572%0.717SS**Hα-helixtrans-91-18.1-172.6-103.258-175.100112.8V23E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 3.09Å
22L31.6Very low31.2Very low130 Ų130135.2 Ų135.268%0.68173%0.729SS**THydrogen-bonded Turntrans-76.5-12.9175.8-84.5160.6000113.9
23V33Very low30.7Very low122 Ų122137.1 Ų137.174%0.73973%0.73SS**THydrogen-bonded Turntrans-89.4-11.4-178.8-178.80000112.5E21E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 3.09Å
24N33.6Very low30.2Very low127 Ų127134.4 Ų134.468%0.67972%0.724SS**SBendtrans-110.49.4-170.3-75.5-28.5000115.6
25L28.9Very low30Very low140 Ų140132.4 Ų132.473%0.73371%0.714SS**  trans-92.9122.8-179.4-78.8161.9000112
26P27.1Very low29.6Very low110 Ų110129.9 Ų129.971%0.71471%0.711SS**  trans-67.9143.3-176.5-819.8000113.3S28P26-S28 PolarHBondContact O-N 3.04Å
27C30.1Very low29.4Very low136 Ų136135.1 Ų135.192%0.91973%0.727SS**SBendtrans-86.833.2-162.3-143.60000116
28S30.2Very low29.4Very low103 Ų103133.2 Ų133.272%0.7272%0.716SS**SBendtrans-12513-16959.50000117.6P26P26-S28 PolarHBondContact O-N 3.04Å
29C27.6Very low29.4Very low116 Ų116135 Ų13578%0.78472%0.718SS**  trans-133.514-178.7-59.50000115.9H31C29-H31 PolarHBondContact O-N 2.84Å
30C26.1Very low29.6Very low120 Ų120139 Ų13981%0.81173%0.728SS**  trans-9494.6-174.8-610000112.2
31H28Very low29.7Very low197 Ų197136.8 Ų136.891%0.91273%0.728SS**  trans-81.1126.3154.3-87.2-83000108.7C29C29-H31 PolarHBondContact O-N 2.84Å
32E27.8Very low29.9Very low149 Ų149134.4 Ų134.470%0.69672%0.719SS**  trans-69.3128.2-166.4-63.4-178117.400114.6K34E32-K34 IonicContact OE1-NZ 3.37Å; E32-K34 PolarHBondContact OE1-NZ 3.35Å
33E28.1Very low30.5Very low160 Ų160132 Ų13275%0.74871%0.711SS**  trans-128.3114.3154-79.5-170.7155.300109.2
34K25.4Very low30.9Very low145 Ų145135.9 Ų135.963%0.6372%0.721SS**  trans-104.8109.7179-74.1173.5-177.1141.70109.4E32E32-K34 IonicContact OE1-NZ 3.37Å; E32-K34 PolarHBondContact OE1-NZ 3.35Å
35H30.5Very low31.6Very low149 Ų149132.7 Ų132.769%0.6970%0.704SS**  trans-90.5119.7168.4-73.1-80.7000110.4F37H35-F37 HydrophobicContact CB-CD2 4.36Å; H35-F37 HydrophobicContact CB-CE2 4.01Å
36V26.6Very low32.3Very low127 Ų127127.9 Ų127.977%0.7768%0.682SS**  trans-90.8110.4174178.50000108.1T38V36-T38 HydrophobicContact CG1-CG2 4Å
37F29.7Very low33Very low189 Ų189129.6 Ų129.683%0.82968%0.675SS**  trans-95.8118.1169.8-79.1-89.1000109H35H35-F37 HydrophobicContact CB-CD2 4.36Å; H35-F37 HydrophobicContact CB-CE2 4.01Å
38T29.1Very low33.9Very low75 Ų75127.4 Ų127.446%0.4665%0.654SS.*  trans-109.612817352.40000109.9V36 N40V36-T38 HydrophobicContact CG1-CG2 4Å; T38-N40 PolarHBondContact O-N 3.42Å; T38-N40 PolarHBondContact OG1-O 2.95Å
39R28.6Very low34.9Very low206 Ų206130.2 Ų130.278%0.77765%0.649SS**SBendtrans-64.6-20.6171.5-81.3-174.9-179.1178.64.8113.4D8D8-R39 PolarHBondContact O-NH2 3.34Å
40N33.3Very low35.7Very low133 Ų133129.5 Ų129.571%0.71163%0.633SS**SBendtrans-99.6142-177.5-63.1-22.9000110.4T38 L42T38-N40 PolarHBondContact O-N 3.42Å; T38-N40 PolarHBondContact OG1-O 2.95Å; N40-L42 PolarHBondContact O-N 3.27Å
41T33.7Very low36.6Very low117 Ų117128.8 Ų128.872%0.71862%0.616SS**PPolyproline II helixtrans-55.5122.7170.639.30000109.9
42L38.7Very low37.9Very low71 Ų71123.8 Ų123.837%0.37260%0.596SS.*PPolyproline II helixtrans-67.1146.6175.1-76.1156.9000110.4N40 C46 L69N40-L42 PolarHBondContact O-N 3.27Å; L42-C46 HydrophobicContact CB-CB 4.2Å; L42-L69 HydrophobicContact CD1-CD2 3.46Å; L42-L69 VanDerWaalsContact CD1-CD2 3.46Å
43P44.2Very low38.9Very low79 Ų79120.6 Ų120.651%0.51358%0.584SS.*PPolyproline II helixtrans-53.7143.2172.6-25.534.8000111.8D45 C46P43-D45 WeakPolarHBondContact CB-OD1 3.45Å; P43-D45 PolarHBondContact O-N 2.87Å; P43-C46 VanDerWaalsContact O-CB 3.25Å; P43-C46 WeakPolarHBondContact O-CB 3.45Å; P43-C46 PolarHBondContact O-N 3.17Å; P43-C46 PolarHBondContact O-SG 3.06Å; P43-C46 VanDerWaalsContact O-SG 3.41Å
44Q42.2Very low39.6Very low204 Ų204115.9 Ų115.995%0.95356%0.563SS**THydrogen-bonded Turntrans-56-26.5-179.2-83.7-177.9-22.200113.5
45D47.7Very low40.7Very low60 Ų60114.2 Ų114.232%0.32156%0.561SS.*THydrogen-bonded Turntrans-89.96.2179.771.5-31.3000113.8P43 Y47 D48 R49P43-D45 WeakPolarHBondContact CB-OD1 3.45Å; P43-D45 PolarHBondContact O-N 2.87Å; D45-Y47 VanDerWaalsContact C-N 3.29Å; D45-Y47 PolarHBondContact O-N 2.7Å; D45-D48 PolarHBondContact O-N 2.87Å; D45-R49 WeakPolarHBondContact O-CB 3.45Å; D45-R49 WeakPolarHBondContact O-CG 3.49Å; D45-R49 PolarHBondContact O-N 3.34Å; D45-R49 IonicContact OD2-CZ 3.11Å; D45-R49 IonicContact OD2-NE 3.76Å; D45-R49 PolarHBondContact OD2-NE 3.48Å; D45-R49 IonicContact OD2-NH2 3.42Å; D45-R49 PolarHBondContact OD2-NH2 3.38Å
46C43.5Very low41.6Very low39 Ų39117.1 Ų117.126%0.26457%0.566SS.*Hα-helixtrans-62.7-36.7-175.575.80000112.6L42 P43 F50L42-C46 HydrophobicContact CB-CB 4.2Å; P43-C46 VanDerWaalsContact O-CB 3.25Å; P43-C46 WeakPolarHBondContact O-CB 3.45Å; P43-C46 PolarHBondContact O-N 3.17Å; P43-C46 PolarHBondContact O-SG 3.06Å; P43-C46 VanDerWaalsContact O-SG 3.41Å; C46-F50 WeakPolarHBondContact O-CB 3.45Å; C46-F50 PolarHBondContact O-N 3.48Å
47Y41.4Very low42.2Very low147 Ų147120.7 Ų120.758%0.57657%0.565SS**Hα-helixtrans-68.7-44178.2-177.9-95.8000111.3D45 F50 K51D45-Y47 VanDerWaalsContact C-N 3.29Å; D45-Y47 PolarHBondContact O-N 2.7Å; Y47-F50 PolarHBondContact O-N 3.42Å; Y47-K51 HydrophobicContact CE1-CD 4.42Å; Y47-K51 WeakPolarHBondContact O-CB 3.32Å; Y47-K51 PolarHBondContact O-N 3.34Å
48D49.6Very low42.5Very low89 Ų89114.6 Ų114.648%0.47656%0.556SS.*Hα-helixtrans-66.9-38.7178.2-65.6-38.4000111.7D45 F50 N52D45-D48 PolarHBondContact O-N 2.87Å; D48-F50 VanDerWaalsContact C-N 3.34Å; D48-F50 PolarHBondContact O-N 2.96Å; D48-N52 VanDerWaalsContact O-CB 3.28Å; D48-N52 WeakPolarHBondContact O-CB 3.34Å; D48-N52 PolarHBondContact O-N 3.18Å; D48-N52 PolarHBondContact O-ND2 2.9Å
49R51.4Low42.9Very low162 Ų162117.1 Ų117.161%0.61156%0.563SS**Hα-helixtrans-63.3-38.7172.4-75.7-179.3176.7-154.3-4.6112.5D45 N53D45-R49 WeakPolarHBondContact O-CB 3.45Å; D45-R49 WeakPolarHBondContact O-CG 3.49Å; D45-R49 PolarHBondContact O-N 3.34Å; D45-R49 IonicContact OD2-CZ 3.11Å; D45-R49 IonicContact OD2-NE 3.76Å; D45-R49 PolarHBondContact OD2-NE 3.48Å; D45-R49 IonicContact OD2-NH2 3.42Å; D45-R49 PolarHBondContact OD2-NH2 3.38Å; R49-N53 WeakPolarHBondContact O-CB 3.48Å; R49-N53 PolarHBondContact O-N 3.41Å; R49-N53 PolarHBondContact O-ND2 3.13Å
50F43.5Very low43.1Very low102 Ų102119.5 Ų119.545%0.44757%0.572SS.*Hα-helixtrans-69.7-46.5178.4-179.4-106.9000111.4C46 Y47 D48 N52 N53 L54 W67C46-F50 WeakPolarHBondContact O-CB 3.45Å; C46-F50 PolarHBondContact O-N 3.48Å; Y47-F50 PolarHBondContact O-N 3.42Å; D48-F50 VanDerWaalsContact C-N 3.34Å; D48-F50 PolarHBondContact O-N 2.96Å; F50-N52 PolarHBondContact O-N 3.42Å; F50-N53 WeakPolarHBondContact O-CB 3.43Å; F50-N53 PolarHBondContact O-N 2.86Å; F50-N53 VanDerWaalsContact O-N 3.12Å; F50-L54 HydrophobicContact CD1-CD1 3.8Å; F50-L54 HydrophobicContact CE1-CD1 3.29Å; F50-L54 HydrophobicContact CE1-CG 4.47Å; F50-L54 HydrophobicContact CE2-CD1 4.36Å; F50-L54 HydrophobicContact CZ-CD1 3.61Å; F50-L54 HydrophobicContact CZ-CG 4.44Å; F50-L54 PolarHBondContact O-N 2.91Å; F50-W67 HydrophobicContact CE1-CZ3 4.34Å; F50-W67 HydrophobicContact CZ-CZ3 4.06Å
51K46.7Very low43.1Very low105 Ų105117.1 Ų117.146%0.45757%0.566SS.*Hα-helixtrans-58.3-48175.5-172.5178.8177.1-177.20112.1Y47 N53 L54 D55Y47-K51 HydrophobicContact CE1-CD 4.42Å; Y47-K51 WeakPolarHBondContact O-CB 3.32Å; Y47-K51 PolarHBondContact O-N 3.34Å; K51-N53 PolarHBondContact O-N 2.9Å; K51-L54 PolarHBondContact O-N 3.43Å; K51-L54 VanDerWaalsContact O-N 3.14Å; K51-D55 PolarHBondContact O-N 3.39Å
52N53.7Low43.1Very low92 Ų92120.3 Ų120.349%0.49257%0.572SS.*Hα-helixtrans-62.1-29.7176.2-75.8-37.8000113.2D48 F50 R56D48-N52 VanDerWaalsContact O-CB 3.28Å; D48-N52 WeakPolarHBondContact O-CB 3.34Å; D48-N52 PolarHBondContact O-N 3.18Å; D48-N52 PolarHBondContact O-ND2 2.9Å; F50-N52 PolarHBondContact O-N 3.42Å; N52-R56 WeakPolarHBondContact O-CB 3.44Å; N52-R56 WeakPolarHBondContact O-CG 3.32Å; N52-R56 PolarHBondContact O-N 3.49Å; N52-R56 VanDerWaalsContact O-N 3.13Å
53N48.7Very low42.8Very low82 Ų82121.5 Ų121.544%0.43958%0.584SS.*Hα-helixtrans-76.3-34.7175-88.3-62.8000112.9R49 F50 K51 R57R49-N53 WeakPolarHBondContact O-CB 3.48Å; R49-N53 PolarHBondContact O-N 3.41Å; R49-N53 PolarHBondContact O-ND2 3.13Å; F50-N53 WeakPolarHBondContact O-CB 3.43Å; F50-N53 PolarHBondContact O-N 2.86Å; F50-N53 VanDerWaalsContact O-N 3.12Å; K51-N53 PolarHBondContact O-N 2.9Å; N53-R57 WeakPolarHBondContact O-CG 3.48Å; N53-R57 PolarHBondContact O-N 2.76Å
54L42.9Very low42.1Very low61 Ų61120.9 Ų120.932%0.31958%0.58SS.*Hα-helixtrans-66.7-44.7172.3-89.1158.7000111.3F50 K51 R56 R57 Q59F50-L54 HydrophobicContact CD1-CD1 3.8Å; F50-L54 HydrophobicContact CE1-CD1 3.29Å; F50-L54 HydrophobicContact CE1-CG 4.47Å; F50-L54 HydrophobicContact CE2-CD1 4.36Å; F50-L54 HydrophobicContact CZ-CD1 3.61Å; F50-L54 HydrophobicContact CZ-CG 4.44Å; F50-L54 PolarHBondContact O-N 2.91Å; K51-L54 PolarHBondContact O-N 3.43Å; K51-L54 VanDerWaalsContact O-N 3.14Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.15Å; L54-R57 PolarHBondContact O-N 3.09Å; L54-R57 VanDerWaalsContact O-N 3.08Å; L54-Q59 HydrophobicContact CD2-CB 4.44Å
55D49.3Very low41.6Very low110 Ų110116.6 Ų116.659%0.58857%0.57SS**Hα-helixtrans-62.8-38.6177.3-72.6-27.1000111.7K51 R57 G58K51-D55 PolarHBondContact O-N 3.39Å; D55-R57 VanDerWaalsContact C-N 3.28Å; D55-R57 PolarHBondContact O-N 3.43Å; D55-G58 PolarHBondContact O-N 3.34Å
56R48.2Very low40.8Very low210 Ų210117 Ų11779%0.79258%0.578SS**Hα-helixtrans-67-23174-79175.8-176.8-174.91.2114.2N52 L54N52-R56 WeakPolarHBondContact O-CB 3.44Å; N52-R56 WeakPolarHBondContact O-CG 3.32Å; N52-R56 PolarHBondContact O-N 3.49Å; N52-R56 VanDerWaalsContact O-N 3.13Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.15Å
57R40.3Very low40Very low201 Ų201123.1 Ų123.176%0.75860%0.595SS**THydrogen-bonded Turntrans-92.94.8-177.8-75.3-177-179.6-157.30.8113.7N53 L54 D55 Q59N53-R57 WeakPolarHBondContact O-CG 3.48Å; N53-R57 PolarHBondContact O-N 2.76Å; L54-R57 PolarHBondContact O-N 3.09Å; L54-R57 VanDerWaalsContact O-N 3.08Å; D55-R57 VanDerWaalsContact C-N 3.28Å; D55-R57 PolarHBondContact O-N 3.43Å; R57-Q59 PolarHBondContact O-N 3.05Å; R57-Q59 VanDerWaalsContact O-N 3.11Å
58G36.9Very low39.3Very low62 Ų62126.3 Ų126.364%0.63961%0.606SS**THydrogen-bonded Turntrans65.712.1175.600000114.6D55 R60D55-G58 PolarHBondContact O-N 3.34Å; G58-R60 PolarHBondContact O-N 3.29Å
59Q36.2Very low38.1Very low127 Ų127127.9 Ų127.959%0.59361%0.614SS**  trans-8085.5175.8-74-160-14.900109.8L54 R57 S61L54-Q59 HydrophobicContact CD2-CB 4.44Å; R57-Q59 PolarHBondContact O-N 3.05Å; R57-Q59 VanDerWaalsContact O-N 3.11Å; Q59-S61 VanDerWaalsContact C-N 3.25Å; Q59-S61 PolarHBondContact O-N 3.04Å
60R32.3Very low37Very low256 Ų256126.3 Ų126.397%0.96662%0.617SS**  trans-75.676.4165.8-70.4-175.8179.8-175.90.8109.5G58G58-R60 PolarHBondContact O-N 3.29Å
61S33.4Very low36.2Very low84 Ų84123.7 Ų123.759%0.58761%0.609SS**  trans-131.1124.4163.446.80000108.3Q59Q59-S61 VanDerWaalsContact C-N 3.25Å; Q59-S61 PolarHBondContact O-N 3.04Å
62H35.1Very low35.2Very low183 Ų183125.8 Ų125.885%0.84763%0.625SS**PPolyproline II helixtrans-48128.6170.2-68.5-79.8000108.6
63P30.9Very low34Very low96 Ų96124.8 Ų124.862%0.62363%0.63SS**PPolyproline II helixtrans-58.8137.1174.524.4-30.9000108
64P30Very low33.1Very low67 Ų67128.4 Ų128.444%0.43564%0.644SS.*PPolyproline II helixtrans-52.1148.3173.9-2229.4000110.5S66P64-S66 PolarHBondContact O-N 3.29Å
65P32.4Very low32.4Very low113 Ų113129.5 Ų129.573%0.73465%0.65SS**THydrogen-bonded Turntrans-60.60.3-174.9-20.431.4000116
66S31.1Very low31.4Very low70 Ų70129 Ų12949%0.4966%0.655SS.*THydrogen-bonded Turntrans-114.67.2-16551.40000115.4P64 W68P64-S66 PolarHBondContact O-N 3.29Å; S66-W68 PolarHBondContact O-N 3.08Å; S66-W68 VanDerWaalsContact O-N 3.1Å
67W25.6Very low30.2Very low167 Ų167129.1 Ų129.163%0.63366%0.655SS**  trans-83.489.8179.8-71.152.8000110.8F50F50-W67 HydrophobicContact CE1-CZ3 4.34Å; F50-W67 HydrophobicContact CZ-CZ3 4.06Å
68W27.1Very low29.4Very low213 Ų213126.2 Ų126.281%0.80766%0.663SS**  trans-110118.2169.8-63.493.5000110.2S66 I70S66-W68 PolarHBondContact O-N 3.08Å; S66-W68 VanDerWaalsContact O-N 3.1Å; W68-I70 HydrophobicContact CB-CG1 4.25Å; W68-I70 PolarHBondContact O-N 3.27Å
69L24.6Very low28.8Very low123 Ų123127 Ų12764%0.64466%0.664SS**  trans-87.193.6174.6-142.8135.1000107.5L42L42-L69 HydrophobicContact CD1-CD2 3.46Å; L42-L69 VanDerWaalsContact CD1-CD2 3.46Å
70I28.4Very low28.2Very low128 Ų128130.1 Ų130.166%0.65668%0.678SS**  trans-90.9114.7-177.2-56.9175.7000108.6W68 L75W68-I70 HydrophobicContact CB-CG1 4.25Å; W68-I70 PolarHBondContact O-N 3.27Å; I70-L75 HydrophobicContact CG2-CD1 4.16Å
71T26.4Very low27.8Very low48 Ų48125 Ų12529%0.29467%0.669SS.*  trans-92.2142170.659.30000109.6A73 Q74T71-A73 PolarHBondContact O-N 2.92Å; T71-Q74 PolarHBondContact O-N 2.81Å
72D26.5Very low27.2Very low149 Ų149126.3 Ų126.380%0.79768%0.678SS**G310 helixtrans-56.2-15.1-176.8-111.1-20.8000114.2
73A27.6Very low26.8Very low70 Ų70125.2 Ų125.258%0.57968%0.677SS**G310 helixtrans-79.7-14.4-174.300000115.1T71T71-A73 PolarHBondContact O-N 2.92Å
74Q29.6Very low26.4Very low158 Ų158126.8 Ų126.874%0.73869%0.685SS**G310 helixtrans-99.7-5.6-174.6-70.9-170.9-3900115.3T71 S76T71-Q74 PolarHBondContact O-N 2.81Å; Q74-S76 VanDerWaalsContact C-N 3.29Å; Q74-S76 PolarHBondContact O-N 2.99Å
75L29.5Very low26.2Very low85 Ų85127 Ų12745%0.44569%0.686SS.*THydrogen-bonded Turntrans-84.48.1-174.9-77.8152.3000114.8I70 F100I70-L75 HydrophobicContact CG2-CD1 4.16Å; L75-F100 HydrophobicContact CD1-CE1 3.56Å; L75-F100 HydrophobicContact CD1-CZ 3.77Å; L75-F100 HydrophobicContact CD2-CZ 4.24Å; L75-F100 HydrophobicContact CG-CZ 4.49Å
76S27Very low25.9Very low100 Ų100129.8 Ų129.870%0.69969%0.694SS**THydrogen-bonded Turntrans-100.87.6-173.857.50000115.3Q74Q74-S76 VanDerWaalsContact C-N 3.29Å; Q74-S76 PolarHBondContact O-N 2.99Å
77R23.8Very low25.6Very low211 Ų211138.6 Ų138.680%0.79672%0.717SS**SBendtrans-136.4132.5179.5-65-173.8-179.9-172-0.1112.2A79R77-A79 PolarHBondContact O-N 2.97Å; R77-A79 VanDerWaalsContact O-N 3.08Å
78P23.9Very low25.8Very low140 Ų140134.3 Ų134.391%0.90972%0.724SS**  trans-73.8102.2173.830.2-29.7000108.5
79A24.2Very low25.8Very low80 Ų80132.1 Ų132.166%0.66172%0.723SS**  trans-109.1119.6174.900000110R77 L81R77-A79 PolarHBondContact O-N 2.97Å; R77-A79 VanDerWaalsContact O-N 3.08Å; A79-L81 PolarHBondContact O-N 3.3Å
80H23.1Very low25.9Very low192 Ų192134.8 Ų134.889%0.88973%0.732SS**  trans-55.8120.8167.7-96.9-95.7000110.2
81L23.2Very low25.7Very low149 Ų149133.6 Ų133.678%0.7873%0.732SS**  trans-117.6103.3171.1-108143.2000109.4A79 L83A79-L81 PolarHBondContact O-N 3.3Å; L81-L83 PolarHBondContact O-N 3.04Å
82S22Very low25.7Very low111 Ų111137.7 Ų137.778%0.77676%0.757SS**  trans-76.1113.3173.2-60.90000109.7
83L25.3Very low25.5Very low159 Ų159136.4 Ų136.483%0.83276%0.755SS**PPolyproline II helixtrans-94.9117.1172-72.6167000109.7L81L81-L83 PolarHBondContact O-N 3.04Å
84V23.6Very low25.4Very low130 Ų130137.7 Ų137.779%0.78877%0.765SS**PPolyproline II helixtrans-82.5126.1174.7179.60000108.6
85P25.6Very low25.1Very low72 Ų72137.8 Ų137.847%0.46876%0.759SS.*PPolyproline II helixtrans-77.7134.2178.826.7-24.6000111
86L25.7Very low24.7Very low171 Ų171138.9 Ų138.990%0.89578%0.78SS**PPolyproline II helixtrans-63.1134164.1-78159000109.1
87R24.8Very low24.6Very low255 Ų255140.8 Ų140.896%0.96278%0.781SS**SBendtrans-22.9124.7-173.5-74178.4173.6179.7-2.2116.3
88G30.3Very low24.7Very low77 Ų77137.5 Ų137.579%0.79478%0.78SS**SBendtrans119.9-5.3155.700000117.3
89H26.9Very low24.8Very low167 Ų167135.4 Ų135.477%0.77376%0.76SS**SBendtrans-132.5136.7-179.6-85.5-82.9000112.1
90E26Very low24.8Very low178 Ų178138.5 Ų138.583%0.83276%0.759SS**  trans-60.9141.9174.6-73.1-174.8153.500111.6V92E90-V92 PolarHBondContact O-N 3.47Å
91P24.8Very low25.1Very low103 Ų103132.1 Ų132.167%0.66975%0.745SS**  trans-70.4116.3-179.628-32.2000110.8
92V25.3Very low25.3Very low135 Ų135133 Ų13382%0.81875%0.747SS**  trans-87.2112.1167.6-177.60000108.2E90 A94E90-V92 PolarHBondContact O-N 3.47Å; V92-A94 PolarHBondContact O-N 2.84Å; V92-A94 VanDerWaalsContact O-N 3.11Å
93T23.4Very low25.7Very low121 Ų121129.4 Ų129.474%0.74273%0.728SS**  trans-61.4107.1172.641.20000110.5
94A24.5Very low25.8Very low97 Ų97127.6 Ų127.680%0.80273%0.727SS**  trans-96124.9170.700000109.8V92V92-A94 PolarHBondContact O-N 2.84Å; V92-A94 VanDerWaalsContact O-N 3.11Å
95W23.2Very low26Very low160 Ų160125.6 Ų125.661%0.60672%0.715SS**  trans-79.1121.8175.8-65.268.9000108.8I97W95-I97 PolarHBondContact O-N 3.42Å
96A22.5Very low26Very low108 Ų108129 Ų12989%0.89374%0.735SS**  trans-75.8115.1176.100000109.9
97I24.8Very low26.1Very low141 Ų141124.1 Ų124.172%0.72372%0.719SS**  trans-109.4126164.1-61.1173.9000105.9W95 L99W95-I97 PolarHBondContact O-N 3.42Å; I97-L99 PolarHBondContact O-N 2.93Å
98D25.5Very low26.2Very low142 Ų142121.6 Ų121.676%0.75972%0.718SS**  trans-51.4105.2179.2-86.5-37000112
99L26Very low26Very low95 Ų95121.9 Ų121.950%0.49770%0.7SS.*  trans-138.5114.9172.7-75.9170.4000110.6I97 F123I97-L99 PolarHBondContact O-N 2.93Å; L99-F123 HydrophobicContact CD1-CD1 3.6Å; L99-F123 HydrophobicContact CD1-CE1 4.17Å
100F24.4Very low26Very low146 Ų146117.8 Ų117.864%0.6470%0.703SS**  trans-78.4119.6-179.8-77.7-102.3000111.4L75L75-F100 HydrophobicContact CD1-CE1 3.56Å; L75-F100 HydrophobicContact CD1-CZ 3.77Å; L75-F100 HydrophobicContact CD2-CZ 4.24Å; L75-F100 HydrophobicContact CG-CZ 4.49Å
101G28.9Very low26.2Very low57 Ų57111.3 Ų111.359%0.58867%0.673SS**  trans101.2119159.900000116
102M28.6Very low26.4Very low167 Ų167118.4 Ų118.482%0.82369%0.687SS**  trans-95.7129.8166-72.5177.669.500109.4
103G29.2Very low26.7Very low37 Ų37115.7 Ų115.738%0.38167%0.667SS.*  trans-124.1137.3167.300000110.5F124G103-F124 WeakPolarHBondContact O-CE2 3.37Å; G103-F124 VanDerWaalsContact O-CZ 3.31Å; G103-F124 WeakPolarHBondContact O-CZ 3.47Å
104C28.3Very low26.9Very low120 Ų120115.5 Ų115.581%0.81167%0.67SS**  trans-88.3127171.9-165.60000109.1
105V26.7Very low27.1Very low89 Ų89113 Ų11354%0.53965%0.654SS.*  trans-128.4120171.5-179.20000108.3A107 F124V105-A107 PolarHBondContact O-N 3.44Å; V105-F124 HydrophobicContact CG2-CE1 4.45Å; V105-F124 HydrophobicContact CG2-CZ 4.19Å
106T26.3Very low27.3Very low143 Ų143113.5 Ų113.588%0.87767%0.668SS**  trans-73.4111.3168.28.70000108.9
107A27.8Very low27.6Very low68 Ų68115.8 Ų115.856%0.56266%0.655SS**  trans-102.7109.6172.700000109.9V105 M109V105-A107 PolarHBondContact O-N 3.44Å; A107-M109 HydrophobicContact CB-CG 4.21Å; A107-M109 PolarHBondContact O-N 2.82Å
108E25.9Very low27.8Very low202 Ų202118.5 Ų118.594%0.94466%0.657SS**  trans-71.890168-76.7-169.3155.100109.6G110E108-G110 VanDerWaalsContact C-N 3.29Å; E108-G110 PolarHBondContact O-N 2.95Å
109M26.9Very low27.9Very low84 Ų84116.1 Ų116.141%0.41464%0.643SS.*  trans-87.315179.3-71.8-154.4-82.700114.3A107 L111 F133 F137A107-M109 HydrophobicContact CB-CG 4.21Å; A107-M109 PolarHBondContact O-N 2.82Å; M109-L111 HydrophobicContact CB-CD1 3.9Å; M109-L111 HydrophobicContact CB-CG 4.05Å; M109-L111 HydrophobicContact CE-CD1 4.11Å; M109-L111 PolarHBondContact O-N 3.21Å; M109-F133 HydrophobicContact CE-CD1 4.4Å; M109-F133 HydrophobicContact CE-CE1 3.38Å; M109-F133 HydrophobicContact CE-CE2 4.35Å; M109-F133 HydrophobicContact CE-CZ 3.36Å; M109-F133 HydrophobicContact SD-CE1 4.02Å; M109-F133 HydrophobicContact SD-CE2 3.94Å; M109-F133 HydrophobicContact SD-CZ 3.32Å; M109-F133 WeakPolarHBondContact SD-CZ 3.38Å; M109-F137 HydrophobicContact CE-CE1 4.08Å; M109-F137 HydrophobicContact CE-CZ 3.85Å
110G27.9Very low27.8Very low81 Ų81115.1 Ų115.184%0.83564%0.642SS**SBendtrans60.18.6-175.100000114.4E108E108-G110 VanDerWaalsContact C-N 3.29Å; E108-G110 PolarHBondContact O-N 2.95Å
111L30Very low28Very low41 Ų41112.1 Ų112.122%0.21564%0.638CS.*  trans-79.4119.8174.2-65.4168.7000107.4M109 I113 L170M109-L111 HydrophobicContact CB-CD1 3.9Å; M109-L111 HydrophobicContact CB-CG 4.05Å; M109-L111 HydrophobicContact CE-CD1 4.11Å; M109-L111 PolarHBondContact O-N 3.21Å; L111-I113 HydrophobicContact CB-CD1 3.87Å; L111-I113 HydrophobicContact CB-CG1 4.01Å; L111-I113 HydrophobicContact CD1-CD1 4.3Å; L111-I113 PolarHBondContact O-N 2.9Å; L111-L170 HydrophobicContact CD2-CD1 4.49Å
112R28.3Very low27.8Very low253 Ų253112 Ų11296%0.95562%0.623SS**  trans-66.963.4173.8-80.9-175.3171.5-176.9-2.1111.6
113I31.6Very low27.8Very low77 Ų77111 Ų11140%0.39562%0.615SS.*  trans-124.191-178.7-52.6174.6000107.1L111 Y117L111-I113 HydrophobicContact CB-CD1 3.87Å; L111-I113 HydrophobicContact CB-CG1 4.01Å; L111-I113 HydrophobicContact CD1-CD1 4.3Å; L111-I113 PolarHBondContact O-N 2.9Å; I113-Y117 HydrophobicContact CG2-CE2 4.02Å
114S27.1Very low27.6Very low117 Ų117113.5 Ų113.582%0.81862%0.615SS**  trans-91.2119.3172.362.20000109.7
115G29Very low27.5Very low44 Ų44113.3 Ų113.345%0.45461%0.61SS.*SBendtrans170.1150.1168.400000112.1Y117G115-Y117 VanDerWaalsContact C-CD2 3.48Å; G115-Y117 VanDerWaalsContact C-CE2 3.43Å; G115-Y117 WeakPolarHBondContact O-CD2 3.29Å; G115-Y117 VanDerWaalsContact O-CE2 3.27Å; G115-Y117 WeakPolarHBondContact O-CE2 3.28Å; G115-Y117 PolarHBondContact O-N 3.39Å
116D27.1Very low27.4Very low171 Ų171120.7 Ų120.791%0.91463%0.628SS**  trans-72.8106177.1-62-38.1000109.2
117Y30Very low27.3Very low157 Ų157116.3 Ų116.362%0.61661%0.612SS**  trans-126.8126.7-177.7-56.2-65000112.2I113 G115 L119I113-Y117 HydrophobicContact CG2-CE2 4.02Å; G115-Y117 VanDerWaalsContact C-CD2 3.48Å; G115-Y117 VanDerWaalsContact C-CE2 3.43Å; G115-Y117 WeakPolarHBondContact O-CD2 3.29Å; G115-Y117 VanDerWaalsContact O-CE2 3.27Å; G115-Y117 WeakPolarHBondContact O-CE2 3.28Å; G115-Y117 PolarHBondContact O-N 3.39Å; Y117-L119 PolarHBondContact O-N 3.17Å
118W28.3Very low27.2Very low198 Ų198118.5 Ų118.575%0.7562%0.618SS**  trans-68.3110.6167-72.682.8000109.6
119L26.6Very low27.2Very low91 Ų91112.3 Ų112.348%0.47659%0.594SS.*PPolyproline II helixtrans-72.6135.1171.5-78.6155.4000109.6Y117 L122 F137Y117-L119 PolarHBondContact O-N 3.17Å; L119-L122 HydrophobicContact CD1-CD1 4.34Å; L119-F137 HydrophobicContact CD2-CD2 4.24Å; L119-F137 HydrophobicContact CD2-CE2 4.12Å
120P25.3Very low27.4Very low74 Ų74111 Ų11148%0.48159%0.592SS.*PPolyproline II helixtrans-60.8154.916428.4-31.6000109.3L122P120-L122 PolarHBondContact O-N 3.26Å; P120-L122 VanDerWaalsContact O-N 3.12Å
121P27.4Very low27.3Very low84 Ų84111.4 Ų111.455%0.54558%0.578SS.*PPolyproline II helixtrans-56119.3-160.521.8-32.7000112.1F123P121-F123 PolarHBondContact O-N 2.72Å
122L25.8Very low27.3Very low55 Ų55111.5 Ų111.529%0.28858%0.584SS.*PPolyproline II helixtrans-65.3118.8165.1-86.2153000108L119 P120 F124 V131L119-L122 HydrophobicContact CD1-CD1 4.34Å; P120-L122 PolarHBondContact O-N 3.26Å; P120-L122 VanDerWaalsContact O-N 3.12Å; L122-F124 HydrophobicContact CB-CD2 4.26Å; L122-F124 HydrophobicContact CB-CE2 3.6Å; L122-F124 HydrophobicContact CB-CZ 4.21Å; L122-F124 WeakPolarHBondContact O-CD2 3.43Å; L122-F124 PolarHBondContact O-N 2.89Å; L122-V131 HydrophobicContact CD2-CG1 4.28Å
123F27.3Very low27.5Very low146 Ų146103.4 Ų103.464%0.6456%0.556SS**  trans-77.4109.5176.3-59.5-77.7000109.4L99 P121L99-F123 HydrophobicContact CD1-CD1 3.6Å; L99-F123 HydrophobicContact CD1-CE1 4.17Å; P121-F123 PolarHBondContact O-N 2.72Å
124F26.6Very low27.5Very low88 Ų88101.4 Ų101.439%0.38656%0.555SS.*  trans-95.6111.3169.6-68-89.5000109G103 V105 L122G103-F124 WeakPolarHBondContact O-CE2 3.37Å; G103-F124 VanDerWaalsContact O-CZ 3.31Å; G103-F124 WeakPolarHBondContact O-CZ 3.47Å; V105-F124 HydrophobicContact CG2-CE1 4.45Å; V105-F124 HydrophobicContact CG2-CZ 4.19Å; L122-F124 HydrophobicContact CB-CD2 4.26Å; L122-F124 HydrophobicContact CB-CE2 3.6Å; L122-F124 HydrophobicContact CB-CZ 4.21Å; L122-F124 WeakPolarHBondContact O-CD2 3.43Å; L122-F124 PolarHBondContact O-N 2.89Å
125V25.1Very low27.7Very low117 Ų11797.7 Ų97.771%0.70953%0.527SS*.  trans-98.1122.5165.7-178.10000107.6G127V125-G127 PolarHBondContact O-N 3.28Å; V125-G127 VanDerWaalsContact O-N 3.15Å
126R24.5Very low28.1Very low244 Ų244101.1 Ų101.192%0.92154%0.535SS*.SBendtrans-67.1111.7-178.4-175.4177.2173.61610.5110.4
127G25.7Very low28.7Very low51 Ų5194.4 Ų94.453%0.52650%0.498SS..SBendtrans94.2117.6170.300000112.9V125V125-G127 PolarHBondContact O-N 3.28Å; V125-G127 VanDerWaalsContact O-N 3.15Å
128T24.4Very low29.1Very low113 Ų11388.6 Ų88.669%0.69348%0.477SS*.SBendtrans77.297.9169.767.60000118.1
129V27.1Very low29.5Very low72 Ų7289.5 Ų89.544%0.43648%0.481SS..  trans67.5169.1150.4-128.40000119.3L185V129-L185 HydrophobicContact CG2-CD2 4.41Å
130P29.5Very low30Very low57 Ų5791.2 Ų91.237%0.3748%0.484SS..  -77.2164.2-103.71013.1000118.3A132 F181P130-A132 PolarHBondContact O-N 2.77Å; P130-F181 HydrophobicContact CB-CD1 3.55Å; P130-F181 HydrophobicContact CB-CE1 3.59Å; P130-F181 HydrophobicContact CG-CD1 4.25Å
131V27Very low30.6Very low90 Ų9090.8 Ų90.855%0.54548%0.476SS..  trans-57.5117.1170.5-178.30000111.1L122L122-V131 HydrophobicContact CD2-CG1 4.28Å
132A29.3Very low30.9Very low43 Ų4387.9 Ų87.936%0.35546%0.457SS..  trans-94114172.600000110.2P130 G134P130-A132 PolarHBondContact O-N 2.77Å; A132-G134 PolarHBondContact O-N 3.11Å
133F33.2Very low31.5Very low82 Ų8286.1 Ų86.136%0.3645%0.448SS..  trans-71.8118.9165.3-68.8-77000108.8M109 F137M109-F133 HydrophobicContact CE-CD1 4.4Å; M109-F133 HydrophobicContact CE-CE1 3.38Å; M109-F133 HydrophobicContact CE-CE2 4.35Å; M109-F133 HydrophobicContact CE-CZ 3.36Å; M109-F133 HydrophobicContact SD-CE1 4.02Å; M109-F133 HydrophobicContact SD-CE2 3.94Å; M109-F133 HydrophobicContact SD-CZ 3.32Å; M109-F133 WeakPolarHBondContact SD-CZ 3.38Å; F133-F137 HydrophobicContact CB-CD1 4.14Å; F133-F137 AromaticContact CD1-CD1 3.56Å; F133-F137 HydrophobicContact CD1-CD1 3.56Å; F133-F137 AromaticContact CD1-CE1 3.59Å; F133-F137 HydrophobicContact CD1-CE1 3.59Å; F133-F137 HydrophobicContact CD1-CG 4.17Å; F133-F137 HydrophobicContact CD1-CZ 4.22Å; F133-F137 HydrophobicContact CE1-CD1 4.36Å; F133-F137 AromaticContact CE1-CE1 3.95Å; F133-F137 HydrophobicContact CE1-CE1 3.95Å; F133-F137 HydrophobicContact CE1-CZ 4.25Å; F133-F137 HydrophobicContact CG-CD1 4.12Å; F133-F137 HydrophobicContact CG-CE1 4.33Å
134G31.3Very low31.9Very low35 Ų3582.5 Ų82.536%0.36143%0.434SS..  trans-60.3145173.600000111.4A132 N136 F137 L138A132-G134 PolarHBondContact O-N 3.11Å; G134-N136 PolarHBondContact O-N 3.38Å; G134-N136 VanDerWaalsContact O-N 3.09Å; G134-F137 WeakPolarHBondContact O-CA 3.49Å; G134-F137 VanDerWaalsContact O-CB 3.28Å; G134-F137 WeakPolarHBondContact O-CB 3.16Å; G134-F137 PolarHBondContact O-N 2.81Å; G134-L138 PolarHBondContact O-N 3.41Å
135T32Very low32.3Very low40 Ų4082.4 Ų82.425%0.24544%0.438CS..Hα-helixtrans-53.8-28173.834.50000113.6F137 L138 W139 S292 S293T135-F137 VanDerWaalsContact C-N 3.32Å; T135-F137 PolarHBondContact O-N 2.95Å; T135-L138 PolarHBondContact O-N 3.3Å; T135-W139 VanDerWaalsContact O-CB 3.26Å; T135-W139 WeakPolarHBondContact O-CB 3.49Å; T135-W139 PolarHBondContact O-N 3.09Å; T135-S292 WeakPolarHBondContact CG2-O 3.46Å; T135-S292 WeakPolarHBondContact OG1-CB 3.47Å; T135-S292 PolarHBondContact OG1-O 3.48Å; T135-S292 PolarHBondContact OG1-OG 3.5Å; T135-S293 WeakPolarHBondContact CG2-OG 3.27Å
136N36.6Very low32.8Very low116 Ų11680.1 Ų80.162%0.6242%0.421SS*.Hα-helixtrans-63.6-34.8172.4-66.8-16.8000112.8G134 K140G134-N136 PolarHBondContact O-N 3.38Å; G134-N136 VanDerWaalsContact O-N 3.09Å; N136-K140 WeakPolarHBondContact O-CB 3.5Å; N136-K140 PolarHBondContact O-N 3.17Å
137F39.1Very low33.2Very low29 Ų2975 Ų7513%0.12741%0.412CS..Hα-helixtrans-69.9-47.3175.4176.3-94.2000110.7M109 L119 F133 G134 T135 W139 K140 H141 I143M109-F137 HydrophobicContact CE-CE1 4.08Å; M109-F137 HydrophobicContact CE-CZ 3.85Å; L119-F137 HydrophobicContact CD2-CD2 4.24Å; L119-F137 HydrophobicContact CD2-CE2 4.12Å; F133-F137 HydrophobicContact CB-CD1 4.14Å; F133-F137 AromaticContact CD1-CD1 3.56Å; F133-F137 HydrophobicContact CD1-CD1 3.56Å; F133-F137 AromaticContact CD1-CE1 3.59Å; F133-F137 HydrophobicContact CD1-CE1 3.59Å; F133-F137 HydrophobicContact CD1-CG 4.17Å; F133-F137 HydrophobicContact CD1-CZ 4.22Å; F133-F137 HydrophobicContact CE1-CD1 4.36Å; F133-F137 AromaticContact CE1-CE1 3.95Å; F133-F137 HydrophobicContact CE1-CE1 3.95Å; F133-F137 HydrophobicContact CE1-CZ 4.25Å; F133-F137 HydrophobicContact CG-CD1 4.12Å; F133-F137 HydrophobicContact CG-CE1 4.33Å; G134-F137 WeakPolarHBondContact O-CA 3.49Å; G134-F137 VanDerWaalsContact O-CB 3.28Å; G134-F137 WeakPolarHBondContact O-CB 3.16Å; G134-F137 PolarHBondContact O-N 2.81Å; T135-F137 VanDerWaalsContact C-N 3.32Å; T135-F137 PolarHBondContact O-N 2.95Å; F137-W139 VanDerWaalsContact C-N 3.32Å; F137-W139 PolarHBondContact O-N 3.02Å; F137-K140 PolarHBondContact O-N 3.35Å; F137-H141 AromaticContact CD2-CD2 3.58Å; F137-H141 AromaticContact CD2-NE2 3.91Å; F137-H141 AromaticContact CE2-CD2 3.5Å; F137-H141 VanDerWaalsContact CE2-CD2 3.5Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.35Å; F137-H141 AromaticContact CE2-NE2 3.68Å; F137-H141 AromaticContact CZ-CD2 3.97Å; F137-H141 PolarHBondContact O-CD2 3.24Å; F137-H141 VanDerWaalsContact O-CD2 3.3Å; F137-H141 PolarHBondContact O-N 3.24Å; F137-I143 HydrophobicContact CD1-CD1 4.35Å; F137-I143 HydrophobicContact CE1-CD1 3.78Å; F137-I143 HydrophobicContact CZ-CD1 4.45Å
138L38.9Very low33.4Very low36 Ų3678.7 Ų78.719%0.18842%0.415CS..Hα-helixtrans-60.5-42.2177.3-62.7173.8000111.6G134 T135 C142 I143 L145G134-L138 PolarHBondContact O-N 3.41Å; T135-L138 PolarHBondContact O-N 3.3Å; L138-C142 PolarHBondContact O-N 3.42Å; L138-C142 VanDerWaalsContact O-N 3.17Å; L138-I143 HydrophobicContact CD2-CB 3.94Å; L138-I143 HydrophobicContact CD2-CD1 4.42Å; L138-I143 HydrophobicContact CD2-CG2 3.76Å; L138-I143 PolarHBondContact O-N 3.37Å; L138-L145 HydrophobicContact CD1-CD1 3.76Å; L138-L145 HydrophobicContact CD2-CD1 4.16Å; L138-L145 HydrophobicContact CD2-CG 4.4Å
139W36.9Very low33.7Very low217 Ų21775.6 Ų75.682%0.82240%0.401SS*.Hα-helixtrans-65.2-49.7175.7-177.3-92.5000112.6T135 F137 H141 C142T135-W139 VanDerWaalsContact O-CB 3.26Å; T135-W139 WeakPolarHBondContact O-CB 3.49Å; T135-W139 PolarHBondContact O-N 3.09Å; F137-W139 VanDerWaalsContact C-N 3.32Å; F137-W139 PolarHBondContact O-N 3.02Å; W139-H141 PolarHBondContact O-N 3.34Å; W139-C142 PolarHBondContact O-N 3.15Å; W139-C142 VanDerWaalsContact O-N 3.15Å
140K37.4Very low33.6Very low127 Ų12775.2 Ų75.255%0.55241%0.412SS*.Hα-helixtrans-61.3-33.2-178-174.1176-177.6-178.10112.6N136 F137N136-K140 WeakPolarHBondContact O-CB 3.5Å; N136-K140 PolarHBondContact O-N 3.17Å; F137-K140 PolarHBondContact O-N 3.35Å
141H38Very low33.5Very low65 Ų6583.1 Ų83.130%0.30144%0.436SS..THydrogen-bonded Turntrans-98.88.2-179.6-67.9-75000114F137 W139 I143F137-H141 AromaticContact CD2-CD2 3.58Å; F137-H141 AromaticContact CD2-NE2 3.91Å; F137-H141 AromaticContact CE2-CD2 3.5Å; F137-H141 VanDerWaalsContact CE2-CD2 3.5Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.35Å; F137-H141 AromaticContact CE2-NE2 3.68Å; F137-H141 AromaticContact CZ-CD2 3.97Å; F137-H141 PolarHBondContact O-CD2 3.24Å; F137-H141 VanDerWaalsContact O-CD2 3.3Å; F137-H141 PolarHBondContact O-N 3.24Å; W139-H141 PolarHBondContact O-N 3.34Å; H141-I143 HydrophobicContact CB-CD1 3.67Å; H141-I143 HydrophobicContact CB-CG1 3.74Å; H141-I143 PolarHBondContact O-N 3.08Å
142C33.9Very low33.5Very low23 Ų2388.2 Ų88.216%0.15545%0.451CS..THydrogen-bonded Turntrans49.539.9-177.9-63.70000112.3L138 W139 Q168L138-C142 PolarHBondContact O-N 3.42Å; L138-C142 VanDerWaalsContact O-N 3.17Å; W139-C142 PolarHBondContact O-N 3.15Å; W139-C142 VanDerWaalsContact O-N 3.15Å; C142-Q168 PolarHBondContact O-N 3.46Å
143I37.7Very low33.7Very low18 Ų1891.5 Ų91.59%0.09247%0.469CS..EExtended strand (participates in β ladder)trans-88.8109.9179.2-61.3171.7000107.4F137 L138 H141 L170F137-I143 HydrophobicContact CD1-CD1 4.35Å; F137-I143 HydrophobicContact CE1-CD1 3.78Å; F137-I143 HydrophobicContact CZ-CD1 4.45Å; L138-I143 HydrophobicContact CD2-CB 3.94Å; L138-I143 HydrophobicContact CD2-CD1 4.42Å; L138-I143 HydrophobicContact CD2-CG2 3.76Å; L138-I143 PolarHBondContact O-N 3.37Å; H141-I143 HydrophobicContact CB-CD1 3.67Å; H141-I143 HydrophobicContact CB-CG1 3.74Å; H141-I143 PolarHBondContact O-N 3.08Å; I143-L170 HydrophobicContact CG2-CD1 4.07Å
144I36.1Very low33.4Very low69 Ų6996.5 Ų96.535%0.35449%0.493SS..EExtended strand (participates in β ladder)trans-96.7113.5173.2-58.6176.3000107.1D146 C167 F169I144-D146 PolarHBondContact O-N 3Å; I144-C167 HydrophobicContact CD1-CB 4.18Å; I144-F169 HydrophobicContact CB-CD1 4.34Å; I144-F169 HydrophobicContact CB-CE1 4.29Å; I144-F169 HydrophobicContact CD1-CE1 4.08Å; I144-F169 HydrophobicContact CD1-CZ 3.96Å; I144-F169 HydrophobicContact CG2-CD1 4.31Å; I144-F169 HydrophobicContact CG2-CE1 4.05Å
145L35.6Very low33.6Very low87 Ų8799.6 Ų99.646%0.45551%0.509SS..EExtended strand (participates in β ladder)trans-80110.1172.8-70.1168.6000108.6L138 L147L138-L145 HydrophobicContact CD1-CD1 3.76Å; L138-L145 HydrophobicContact CD2-CD1 4.16Å; L138-L145 HydrophobicContact CD2-CG 4.4Å; L145-L147 HydrophobicContact CB-CD2 4.38Å; L145-L147 HydrophobicContact CB-CG 4.43Å; L145-L147 PolarHBondContact O-N 2.71Å; L145-L147 VanDerWaalsContact O-N 3.11Å
146D34.2Very low33.6Very low68 Ų68104 Ų10436%0.36454%0.538SS..EExtended strand (participates in β ladder)trans-79.191.6171.4-1766.4000109.6I144 Q148 F172I144-D146 PolarHBondContact O-N 3Å; D146-Q148 PolarHBondContact O-N 3.05Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.27Å; D146-Q148 PolarHBondContact OD1-N 3.41Å; D146-F172 WeakPolarHBondContact O-CB 3.38Å
147L34.6Very low33.5Very low138 Ų138101.6 Ų101.672%0.72353%0.531SS*.  trans-78.3-0.3177.2-59.7175.4000112.4L145L145-L147 HydrophobicContact CB-CD2 4.38Å; L145-L147 HydrophobicContact CB-CG 4.43Å; L145-L147 PolarHBondContact O-N 2.71Å; L145-L147 VanDerWaalsContact O-N 3.11Å
148Q28.4Very low33.2Very low127 Ų127104 Ų10459%0.59355%0.551SS**  trans-119.461.9-169.3-137.8-174.6-48.200110.8D146 G150D146-Q148 PolarHBondContact O-N 3.05Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.27Å; D146-Q148 PolarHBondContact OD1-N 3.41Å; Q148-G150 PolarHBondContact O-N 3.11Å
149A30.2Very low33.2Very low48 Ų48109.4 Ų109.440%0.39758%0.575SS.*THydrogen-bonded Turntrans-59.2108.5173.600000110.9R173A149-R173 HydrophobicContact CB-CG 4.12Å
150G26Very low33.2Very low65 Ų65106.1 Ų106.167%0.6757%0.568SS**THydrogen-bonded Turntrans167.8-17.516400000120.3Q148Q148-G150 PolarHBondContact O-N 3.11Å
151Y26.9Very low33.1Very low223 Ų223105.9 Ų105.988%0.87558%0.582SS**  trans-141.9117.4-177.3-117.3-97.2000111.9P153Y151-P153 WeakPolarHBondContact O-CD 3.28Å
152F28Very low32.9Very low197 Ų197105.2 Ų105.286%0.86458%0.584SS**PPolyproline II helixtrans-75.9122.5162.4-102.5-99.8000108.3
153P31.9Very low33Very low112 Ų112108.4 Ų108.473%0.72761%0.612SS**PPolyproline II helixtrans-97123.3144.2161.3000107.6Y151 S155Y151-P153 WeakPolarHBondContact O-CD 3.28Å; P153-S155 PolarHBondContact O-N 2.89Å
154E28.6Very low32.9Very low186 Ų186111.7 Ų111.787%0.86965%0.65SS**SBendtrans-52.9127.6169.2-64.5175.615600109.9
155S34Very low33Very low100 Ų100116.2 Ų116.270%0.69966%0.663SS**  trans117.1105.7165.6-165.90000115P153 S157P153-S155 PolarHBondContact O-N 2.89Å; S155-S157 PolarHBondContact O-N 2.65Å
156P32Very low32.9Very low132 Ų132123.8 Ų123.886%0.85769%0.686SS**  trans-84.7102.8175.534.1-27.2000108.9
157S35.1Very low33.2Very low66 Ų66121.8 Ų121.846%0.46268%0.677SS.*  trans-124.9106.4159.450.80000108.6S155 H159S155-S157 PolarHBondContact O-N 2.65Å; S157-H159 VanDerWaalsContact CB-CE1 3.41Å; S157-H159 WeakPolarHBondContact CB-CE1 3.42Å; S157-H159 WeakPolarHBondContact CB-ND1 3.38Å; S157-H159 PolarHBondContact O-N 3.44Å; S157-H159 PolarHBondContact OG-CE1 2.85Å; S157-H159 VanDerWaalsContact OG-CE1 3.26Å; S157-H159 PolarHBondContact OG-ND1 3.44Å
158C33.7Very low33.3Very low80 Ų80119.4 Ų119.454%0.54166%0.662SS.*  trans-69.474.2172-130.80000107.9H160C158-H160 PolarHBondContact O-N 3.48Å; C158-H160 VanDerWaalsContact O-N 3.16Å
159H37.6Very low33.8Very low150 Ų150119.5 Ų119.569%0.69466%0.66SS**  trans-82.233.3179.9-80130.4000112.6S157S157-H159 VanDerWaalsContact CB-CE1 3.41Å; S157-H159 WeakPolarHBondContact CB-CE1 3.42Å; S157-H159 WeakPolarHBondContact CB-ND1 3.38Å; S157-H159 PolarHBondContact O-N 3.44Å; S157-H159 PolarHBondContact OG-CE1 2.85Å; S157-H159 VanDerWaalsContact OG-CE1 3.26Å; S157-H159 PolarHBondContact OG-ND1 3.44Å
160H37.4Very low34Very low148 Ų148120.9 Ų120.969%0.68566%0.661SS**SBendtrans-150.4102.6170.6-71.3-62.9000111.2C158 C162C158-H160 PolarHBondContact O-N 3.48Å; C158-H160 VanDerWaalsContact O-N 3.16Å; H160-C162 PolarHBondContact O-N 3.12Å
161S34.5Very low34.4Very low122 Ų122122.7 Ų122.785%0.85366%0.661SS**  trans37.147155.4-164.30000118.9
162C35Very low34.7Very low51 Ų51117.2 Ų117.235%0.34564%0.642SS.*  trans-88.9104.8151.8-820000107.3H160 G164 C167H160-C162 PolarHBondContact O-N 3.12Å; C162-G164 VanDerWaalsContact C-N 3.28Å; C162-G164 PolarHBondContact O-N 3.07Å; C162-C167 PolarHBondContact SG-SG 3.3Å
163A35.3Very low34.7Very low89 Ų89116.7 Ų116.774%0.73663%0.634SS**  trans-58.488175.200000110.6R165A163-R165 PolarHBondContact O-N 3.05Å
164G35.6Very low34.6Very low87 Ų87116.3 Ų116.390%0.89763%0.634SS**SBendtrans62.68171.100000117.5C162C162-G164 VanDerWaalsContact C-N 3.28Å; C162-G164 PolarHBondContact O-N 3.07Å
165R37.9Very low34.7Very low165 Ų165110.7 Ų110.762%0.62362%0.616SS**  trans-104131.8-177.4-66.8-176.3-137.3-158.12.9111.9A163 C167A163-R165 PolarHBondContact O-N 3.05Å; R165-C167 PolarHBondContact O-N 3Å
166R34.9Very low34.7Very low245 Ų245113.6 Ų113.693%0.92562%0.618SS**  trans-61.8113.7172.3-115.7177.7-179.6163.40.3109.3
167C39Very low34.6Very low26 Ų26111.7 Ų111.718%0.17660%0.604CS.*  trans-66.2134.1172.9-60.10000110.4I144 C162 R165 F169I144-C167 HydrophobicContact CD1-CB 4.18Å; C162-C167 PolarHBondContact SG-SG 3.3Å; R165-C167 PolarHBondContact O-N 3Å; C167-F169 HydrophobicContact CB-CD2 4.48Å; C167-F169 HydrophobicContact CB-CE2 4.09Å
168Q37.5Very low34.4Very low89 Ų89114.1 Ų114.142%0.41661%0.606SS.*EExtended strand (participates in β ladder)trans-96.9114.4168.6-70.6-174.75.600108.5C142C142-Q168 PolarHBondContact O-N 3.46Å
169F38.6Very low34.2Very low128 Ų128116.5 Ų116.556%0.56161%0.609SS**EExtended strand (participates in β ladder)trans-86.1119.1170.6-73.5-90.9000108.5I144 C167 P171I144-F169 HydrophobicContact CB-CD1 4.34Å; I144-F169 HydrophobicContact CB-CE1 4.29Å; I144-F169 HydrophobicContact CD1-CE1 4.08Å; I144-F169 HydrophobicContact CD1-CZ 3.96Å; I144-F169 HydrophobicContact CG2-CD1 4.31Å; I144-F169 HydrophobicContact CG2-CE1 4.05Å; C167-F169 HydrophobicContact CB-CD2 4.48Å; C167-F169 HydrophobicContact CB-CE2 4.09Å; F169-P171 WeakPolarHBondContact O-CD 3.24Å
170L35.8Very low33.9Very low78 Ų78112.4 Ų112.441%0.40860%0.601SS.*EExtended strand (participates in β ladder)trans-101.3107.1172.9-82.6160.3000108.5L111 I143 F172L111-L170 HydrophobicContact CD2-CD1 4.49Å; I143-L170 HydrophobicContact CG2-CD1 4.07Å; L170-F172 PolarHBondContact O-N 3.04Å
171P33Very low33.5Very low103 Ų103109.6 Ų109.667%0.66959%0.587SS**EExtended strand (participates in β ladder)trans-65.7125.2177.124.4-30.7000110.1F169 R173F169-P171 WeakPolarHBondContact O-CD 3.24Å; P171-R173 PolarHBondContact O-N 3.27Å
172F33.5Very low33.3Very low108 Ų108107.4 Ų107.447%0.47457%0.565SS.*SBendtrans-77.760.3176.4-166.5-97.3000110.8D146 L170D146-F172 WeakPolarHBondContact O-CB 3.38Å; L170-F172 PolarHBondContact O-N 3.04Å
173R27.9Very low33.1Very low185 Ų185108.8 Ų108.870%0.69857%0.569SS**SBendtrans-148.1131.1165.6-79.8-164.4173.6174-0.6109.9A149 P171A149-R173 HydrophobicContact CB-CG 4.12Å; P171-R173 PolarHBondContact O-N 3.27Å
174S29.9Very low32.9Very low105 Ų105107.3 Ų107.373%0.73455%0.553SS**  trans105.21.4156.7-41.10000119.6H176S174-H176 PolarHBondContact O-CE1 3.02Å; S174-H176 VanDerWaalsContact O-CE1 3.32Å; S174-H176 PolarHBondContact O-N 3.48Å; S174-H176 PolarHBondContact O-ND1 3.3Å
175S31.3Very low32.6Very low68 Ų68106.2 Ų106.248%0.47653%0.526SS..  trans-85.4103.6169.7-167.70000110.8T177 F178S175-T177 PolarHBondContact O-N 3.2Å; S175-T177 PolarHBondContact OG-OG1 2.84Å; S175-F178 PolarHBondContact O-N 3.4Å
176H32.8Very low32.3Very low161 Ų161106.8 Ų106.875%0.74553%0.528SS*.Hα-helixtrans-51.7-19.8174.42.2-72.1000112.6S174 F178S174-H176 PolarHBondContact O-CE1 3.02Å; S174-H176 VanDerWaalsContact O-CE1 3.32Å; S174-H176 PolarHBondContact O-N 3.48Å; S174-H176 PolarHBondContact O-ND1 3.3Å; H176-F178 PolarHBondContact O-N 3.04Å
177T30.8Very low32Very low92 Ų92101.8 Ų101.856%0.56451%0.513SS*.Hα-helixtrans-70.7-25.5179-25.10000113.4S175S175-T177 PolarHBondContact O-N 3.2Å; S175-T177 PolarHBondContact OG-OG1 2.84Å
178F30.4Very low31.5Very low117 Ų117106 Ų10651%0.51353%0.533SS..Hα-helixtrans-95-29.1-175.9-137.6-94.9000113.5S175 H176 F181 L182S175-F178 PolarHBondContact O-N 3.4Å; H176-F178 PolarHBondContact O-N 3.04Å; F178-F181 VanDerWaalsContact O-CB 3.3Å; F178-F181 WeakPolarHBondContact O-CB 3.32Å; F178-F181 PolarHBondContact O-N 3.41Å; F178-F181 VanDerWaalsContact O-N 3.17Å; F178-L182 PolarHBondContact O-N 2.87Å
179H30.2Very low30.8Very low129 Ų129106.6 Ų106.660%0.59755%0.545SS*.Hα-helixtrans-68.5-36170.8-88-79.1000111.9F181 L182 D183H179-F181 PolarHBondContact O-N 3.16Å; H179-F181 VanDerWaalsContact O-N 3.15Å; H179-L182 PolarHBondContact O-N 2.8Å; H179-L182 VanDerWaalsContact O-N 3.13Å; H179-D183 PolarHBondContact O-N 2.97Å
180A31Very low30.3Very low64 Ų64105.1 Ų105.153%0.52956%0.556SS.*Hα-helixtrans-61.1-20.9170.400000113.6P184A180-P184 WeakPolarHBondContact O-CD 3.39Å
181F28.9Very low30.1Very low89 Ų89108.2 Ų108.239%0.3957%0.572SS.*Hα-helixtrans-84.9-21178.7-115.9-71.5000113.7P130 F178 H179P130-F181 HydrophobicContact CB-CD1 3.55Å; P130-F181 HydrophobicContact CB-CE1 3.59Å; P130-F181 HydrophobicContact CG-CD1 4.25Å; F178-F181 VanDerWaalsContact O-CB 3.3Å; F178-F181 WeakPolarHBondContact O-CB 3.32Å; F178-F181 PolarHBondContact O-N 3.41Å; F178-F181 VanDerWaalsContact O-N 3.17Å; H179-F181 PolarHBondContact O-N 3.16Å; H179-F181 VanDerWaalsContact O-N 3.15Å
182L30.7Very low30Very low76 Ų76109.8 Ų109.840%0.39858%0.579SS.*Hα-helixtrans-104.7-22.2-179.2-63.4175000112.7F178 H179 L185F178-L182 PolarHBondContact O-N 2.87Å; H179-L182 PolarHBondContact O-N 2.8Å; H179-L182 VanDerWaalsContact O-N 3.13Å; L182-L185 HydrophobicContact CB-CD1 4.39Å; L182-L185 HydrophobicContact CD2-CD1 3.64Å; L182-L185 WeakPolarHBondContact O-CB 3.35Å; L182-L185 PolarHBondContact O-N 3.21Å
183D31.2Very low30.2Very low80 Ų80109.1 Ų109.143%0.42858%0.584SS.*THydrogen-bonded Turntrans-63.1-22.4177.2-84-27.5000117.1H179 L185 W186H179-D183 PolarHBondContact O-N 2.97Å; D183-L185 VanDerWaalsContact C-N 3.33Å; D183-W186 PolarHBondContact O-NE1 3.28Å; D183-W186 VanDerWaalsContact O-NE1 3.16Å
184P29.7Very low30.8Very low59 Ų59104.1 Ų104.138%0.38358%0.578SS.*THydrogen-bonded Turntrans-78.1-15.9172.7-14.229.5000113.7A180 W186 K187A180-P184 WeakPolarHBondContact O-CD 3.39Å; P184-W186 PolarHBondContact O-N 2.98Å; P184-K187 PolarHBondContact O-N 3.29Å; P184-K187 VanDerWaalsContact O-N 3.12Å
185L30.4Very low31.7Very low64 Ų64111.3 Ų111.334%0.33559%0.589SS.*THydrogen-bonded Turntrans-67-21.1-171.7-71168000113.3V129 L182 D183V129-L185 HydrophobicContact CG2-CD2 4.41Å; L182-L185 HydrophobicContact CB-CD1 4.39Å; L182-L185 HydrophobicContact CD2-CD1 3.64Å; L182-L185 WeakPolarHBondContact O-CB 3.35Å; L182-L185 PolarHBondContact O-N 3.21Å; D183-L185 VanDerWaalsContact C-N 3.33Å
186W30.8Very low32.7Very low177 Ų177113.4 Ų113.467%0.6760%0.598SS**THydrogen-bonded Turntrans-107.6-1.4176.760.4-90.1000113.5D183 P184D183-W186 PolarHBondContact O-NE1 3.28Å; D183-W186 VanDerWaalsContact O-NE1 3.16Å; P184-W186 PolarHBondContact O-N 2.98Å
187K28.5Very low33.8Very low139 Ų139114 Ų11460%0.60460%0.601SS**  trans-10823.6176.3-72.7-174.9-179.9173.10113.1P184 P189P184-K187 PolarHBondContact O-N 3.29Å; P184-K187 VanDerWaalsContact O-N 3.12Å; K187-P189 WeakPolarHBondContact O-CD 3.32Å
188L28Very low35.6Very low116 Ų116117.3 Ų117.361%0.60761%0.61SS**  trans-58.3114.8179.9-81.9163000110.1
189P23.9Very low37.8Very low100 Ų100115.5 Ų115.565%0.64961%0.612SS**  trans-63.9148163.325.8-21.1000107.1K187 I191K187-P189 WeakPolarHBondContact O-CD 3.32Å; P189-I191 PolarHBondContact O-N 3.44Å; P189-I191 VanDerWaalsContact O-N 3.1Å
190A27.5Very low40.2Very low98 Ų98113.6 Ų113.681%0.8161%0.605SS**SBendtrans-29.1116.3178.200000112V192A190-V192 PolarHBondContact O-N 3.01Å
191I32Very low42.8Very low143 Ų143117.1 Ų117.173%0.73361%0.608SS**  trans-11.8109.2173.4-60.2163.1000111.6P189 T193P189-I191 PolarHBondContact O-N 3.44Å; P189-I191 VanDerWaalsContact O-N 3.1Å; I191-T193 HydrophobicContact CB-CG2 4.2Å; I191-T193 HydrophobicContact CG2-CG2 3.48Å; I191-T193 VanDerWaalsContact CG2-CG2 3.48Å; I191-T193 PolarHBondContact O-N 3.26Å
192V29.8Very low45.4Very low135 Ų135114.8 Ų114.882%0.81861%0.606SS**  trans-68.286.8161.7-1750000105.6A190 S194A190-V192 PolarHBondContact O-N 3.01Å; V192-S194 PolarHBondContact O-N 3.11Å
193T38.2Very low48Very low94 Ų94118.8 Ų118.858%0.57762%0.616SS**  trans-64.2135.1-174.850.30000109.1I191I191-T193 HydrophobicContact CB-CG2 4.2Å; I191-T193 HydrophobicContact CG2-CG2 3.48Å; I191-T193 VanDerWaalsContact CG2-CG2 3.48Å; I191-T193 PolarHBondContact O-N 3.26Å
194S40.1Very low50.3Low81 Ų81120.2 Ų120.257%0.56662%0.623SS**  trans-31.9151.7153.352.50000111.9V192 V196V192-S194 PolarHBondContact O-N 3.11Å; S194-V196 PolarHBondContact O-N 3.38Å
195R49.1Very low52.9Low256 Ų256128 Ų12897%0.96665%0.645SS**SBendtrans-54.50.2171.3-66.6-177.7-172.2-175.10.8114.9
196V52.9Low55.4Low111 Ų111127.9 Ų127.967%0.67365%0.648SS**  trans-91.2112.8176-1730000109.4S194S194-V196 PolarHBondContact O-N 3.38Å
197Q54.6Low57.8Low174 Ų174120.2 Ų120.281%0.81362%0.621SS**  trans-92.5139.6168.1-68179.3-2600109.4S199Q197-S199 PolarHBondContact O-N 2.99Å
198H69.8Low60.4Low162 Ų162119.3 Ų119.375%0.7562%0.618SS**  trans-74.3117.1170.9-177.160.3000109.4I200H198-I200 VanDerWaalsContact NE2-CG1 3.28Å; H198-I200 WeakPolarHBondContact NE2-CG1 3.45Å
199S76.2Confident62.7Low79 Ų79115.4 Ų115.455%0.55260%0.598SS**  trans-108.7126.2174.2-174.80000109.5Q197Q197-S199 PolarHBondContact O-N 2.99Å
200I80.9Confident65.2Low89 Ų89120.5 Ų120.546%0.45660%0.604SS.*  trans-99.1112.7177.2-59.5174000108.2H198 T271H198-I200 VanDerWaalsContact NE2-CG1 3.28Å; H198-I200 WeakPolarHBondContact NE2-CG1 3.45Å; I200-T271 HydrophobicContact CG2-CG2 3.78Å
201K85Confident67.3Low137 Ų137120.7 Ų120.760%0.59660%0.595SS**  trans-88.9112.8174.2-66.7177.7-176.5168.70109.7T271 V272K201-T271 WeakPolarHBondContact O-CA 3.4Å; K201-V272 HydrophobicContact CB-CB 4.29Å; K201-V272 HydrophobicContact CB-CG2 4.24Å; K201-V272 PolarHBondContact O-N 3.19Å
202A84.6Confident69Low41 Ų41122.6 Ų122.634%0.33959%0.593SS.*BIsolated β-bridgetrans-92.9138.1174.300000111.2W243 I270A202-W243 HydrophobicContact CB-CH2 3.85Å; A202-W243 HydrophobicContact CB-CZ2 4.49Å; A202-I270 HydrophobicContact CB-CD1 3.81Å
203R83.8Confident70.6Confident159 Ų159126 Ų12660%0.659%0.591SS**SBendtrans-76.3-31.1175.8-65.2178.5179.8172.9-1.1113I270 V272R203-I270 WeakPolarHBondContact CB-O 3.49Å; R203-I270 WeakPolarHBondContact CG-O 3.45Å; R203-I270 PolarHBondContact N-O 3.46Å; R203-V272 HydrophobicContact CG-CG2 3.53Å
204N79.7Confident71.9Confident110 Ų110124 Ų12459%0.58858%0.577SS**SBendtrans-125.4177.5-165.2-70-35.5000111.8I270N204-I270 HydrophobicContact CB-CB 4.27Å; N204-I270 HydrophobicContact CB-CG2 4.13Å
205R84.5Confident72.9Confident224 Ų224127.9 Ų127.985%0.84559%0.59SS**SBendtrans-58.1159.8176.1-66-176.9-176.6-176.20.9112.6V207R205-V207 PolarHBondContact O-N 2.83Å
206P83.7Confident74.2Confident60 Ų60118.9 Ų118.939%0.3956%0.563SS.*PPolyproline II helixtrans-48.2130.4174.4-28.935.5000114.3P242 W243P206-P242 HydrophobicContact CB-CB 3.88Å; P206-P242 HydrophobicContact CB-CG 3.92Å; P206-P242 WeakPolarHBondContact CB-O 3.3Å; P206-P242 HydrophobicContact CG-CB 4.06Å; P206-P242 HydrophobicContact CG-CG 3.7Å; P206-W243 VanDerWaalsContact CA-CH2 3.46Å; P206-W243 VanDerWaalsContact CA-CZ3 3.4Å; P206-W243 HydrophobicContact CB-CD2 3.75Å; P206-W243 HydrophobicContact CB-CE3 4.03Å; P206-W243 HydrophobicContact CB-CG 4.26Å; P206-W243 HydrophobicContact CB-CH2 4.27Å; P206-W243 HydrophobicContact CB-CZ2 3.99Å; P206-W243 HydrophobicContact CB-CZ3 4.28Å; P206-W243 HydrophobicContact CG-CD2 4.33Å; P206-W243 HydrophobicContact CG-CH2 4.38Å; P206-W243 HydrophobicContact CG-CZ2 3.8Å
207V80.1Confident75.4Confident16 Ų16118.1 Ų118.110%0.09756%0.561CS.*PPolyproline II helixtrans-85.9121170.4179.10000108R205 W243 A244 R266 I270R205-V207 PolarHBondContact O-N 2.83Å; V207-W243 HydrophobicContact CB-CE3 4.48Å; V207-W243 HydrophobicContact CB-CZ3 4.48Å; V207-W243 HydrophobicContact CG2-CZ3 4.46Å; V207-W243 VanDerWaalsContact N-CE3 3.29Å; V207-W243 VanDerWaalsContact N-CZ3 3.3Å; V207-W243 WeakPolarHBondContact O-CA 3.27Å; V207-A244 PolarHBondContact O-N 3.41Å; V207-R266 HydrophobicContact CG1-CB 3.66Å; V207-I270 HydrophobicContact CG2-CD1 3.92Å; V207-I270 HydrophobicContact CG2-CG1 4.23Å; V207-I270 HydrophobicContact CG2-CG2 4.35Å
208H83.1Confident76.4Confident120 Ų120115.2 Ų115.256%0.55655%0.551SS**  trans-116.8141.9169.4168-92.4000109.6R266H208-R266 PolarHBondContact O-NH1 3.13Å; H208-R266 VanDerWaalsContact O-NH1 3.11Å
209I77Confident76.7Confident34 Ų34111.2 Ų111.217%0.17453%0.531CS..  trans-120140.7168.8-165.5159.1000109.1V211 A244I209-V211 PolarHBondContact O-N 3.43Å; I209-A244 HydrophobicContact CG2-CB 4.47Å; I209-A244 PolarHBondContact N-O 3.17Å
210R76.9Confident76.8Confident207 Ų207110.5 Ų110.578%0.78152%0.521SS*.PPolyproline II helixtrans-64.5134.8171.6-170.6176.2-178.7-178.80.3108.9R212R210-R212 PolarHBondContact O-N 3.34Å
211V71.5Confident76.8Confident103 Ų103113 Ų11362%0.62453%0.531SS*.PPolyproline II helixtrans-52.4130.7174.6179.80000109.5I209I209-V211 PolarHBondContact O-N 3.43Å
212R68.3Low76.5Confident182 Ų182108.3 Ų108.369%0.68751%0.514SS*.PPolyproline II helixtrans-94.9118.7171.9-67.9-176.6-179.1-1203.7107.7R210 L214R210-R212 PolarHBondContact O-N 3.34Å; R212-L214 PolarHBondContact O-N 3.26Å
213W63.2Low76.2Confident206 Ų206108.2 Ų108.278%0.7851%0.506SS*.PPolyproline II helixtrans-72.5119.3175.5-58.7100.2000109.4L215W213-L215 PolarHBondContact O-N 3.02Å
214L64.4Low76.1Confident53 Ų53105.5 Ų105.528%0.27750%0.5SS..  trans-71.2111.1168.5-11482000108.8R212 V216 K219 L220 E223 L249R212-L214 PolarHBondContact O-N 3.26Å; L214-V216 VanDerWaalsContact C-N 3.33Å; L214-K219 HydrophobicContact CD2-CB 3.33Å; L214-K219 HydrophobicContact CD2-CD 4.47Å; L214-L220 HydrophobicContact CB-CB 4.39Å; L214-L220 HydrophobicContact CB-CD1 4.2Å; L214-E223 WeakPolarHBondContact CD1-OE2 3.45Å; L214-E223 WeakPolarHBondContact CD2-OE2 3.46Å; L214-L249 HydrophobicContact CD2-CD1 4Å
215L62.3Low76.3Confident163 Ų163107.5 Ų107.585%0.85350%0.504SS*.  trans-84.5-5.1-178.4-68.8168.1000113.7W213W213-L215 PolarHBondContact O-N 3.02Å
216V76.7Confident76.2Confident66 Ų66100 Ų10040%0.448%0.478SS..  trans-101.9113.3-179-176.50000109L214 D218 K219 L220L214-V216 VanDerWaalsContact C-N 3.33Å; V216-D218 PolarHBondContact O-N 3.14Å; V216-K219 HydrophobicContact CB-CB 4.2Å; V216-K219 HydrophobicContact CB-CD 4.11Å; V216-K219 HydrophobicContact CB-CG 4.09Å; V216-K219 HydrophobicContact CG1-CB 4.43Å; V216-K219 HydrophobicContact CG1-CD 4.36Å; V216-K219 HydrophobicContact CG1-CG 4.01Å; V216-K219 HydrophobicContact CG2-CD 4.45Å; V216-K219 PolarHBondContact O-N 3.37Å; V216-K219 VanDerWaalsContact O-N 3.15Å; V216-L220 PolarHBondContact O-N 3.47Å
217P76.6Confident76Confident96 Ų96100.4 Ų100.462%0.62348%0.477SS*.Hα-helixtrans-53.8-47.3-175.2-27.935000113.6K219 L220 E221P217-K219 VanDerWaalsContact C-N 3.26Å; P217-K219 PolarHBondContact O-N 3.1Å; P217-L220 WeakPolarHBondContact O-CB 3.37Å; P217-L220 PolarHBondContact O-N 2.71Å; P217-E221 PolarHBondContact O-N 3.28Å
218D77.1Confident76Confident113 Ų113104.4 Ų104.460%0.60450%0.498SS*.Hα-helixtrans-59.7-37.4-178.2-55.1-5.9000112.6V216 T222V216-D218 PolarHBondContact O-N 3.14Å; D218-T222 PolarHBondContact O-N 3.26Å; D218-T222 PolarHBondContact O-OG1 3.19Å
219K76.4Confident75.9Confident77 Ų77101 Ų10134%0.33548%0.482SS..Hα-helixtrans-73.5-39.8177.7-66-172.3-175.7-175.50110.6L214 V216 P217 T222 E223 L249 W257L214-K219 HydrophobicContact CD2-CB 3.33Å; L214-K219 HydrophobicContact CD2-CD 4.47Å; V216-K219 HydrophobicContact CB-CB 4.2Å; V216-K219 HydrophobicContact CB-CD 4.11Å; V216-K219 HydrophobicContact CB-CG 4.09Å; V216-K219 HydrophobicContact CG1-CB 4.43Å; V216-K219 HydrophobicContact CG1-CD 4.36Å; V216-K219 HydrophobicContact CG1-CG 4.01Å; V216-K219 HydrophobicContact CG2-CD 4.45Å; V216-K219 PolarHBondContact O-N 3.37Å; V216-K219 VanDerWaalsContact O-N 3.15Å; P217-K219 VanDerWaalsContact C-N 3.26Å; P217-K219 PolarHBondContact O-N 3.1Å; K219-T222 PolarHBondContact O-N 2.83Å; K219-E223 WeakPolarHBondContact O-CB 3.36Å; K219-E223 PolarHBondContact O-N 3.19Å; K219-L249 HydrophobicContact CB-CD1 3.87Å; K219-L249 VanDerWaalsContact O-CD1 3.26Å; K219-L249 WeakPolarHBondContact O-CD1 3.46Å; K219-W257 HydrophobicContact CD-CH2 4.13Å; K219-W257 HydrophobicContact CD-CZ2 4.15Å; K219-W257 VanDerWaalsContact CE-CH2 3.43Å; K219-W257 HydrophobicContact CG-CH2 4.36Å; K219-W257 HydrophobicContact CG-CZ2 3.92Å
220L77.7Confident75.7Confident65 Ų65101.5 Ų101.534%0.3449%0.485SS..Hα-helixtrans-63.4-43.4178-17765.7000111.5L214 V216 P217 T222 E223 Q224L214-L220 HydrophobicContact CB-CB 4.39Å; L214-L220 HydrophobicContact CB-CD1 4.2Å; V216-L220 PolarHBondContact O-N 3.47Å; P217-L220 WeakPolarHBondContact O-CB 3.37Å; P217-L220 PolarHBondContact O-N 2.71Å; L220-T222 VanDerWaalsContact C-N 3.33Å; L220-T222 PolarHBondContact O-N 2.88Å; L220-E223 PolarHBondContact O-N 2.86Å; L220-Q224 HydrophobicContact CD1-CG 4.47Å; L220-Q224 WeakPolarHBondContact O-CB 3.25Å; L220-Q224 WeakPolarHBondContact O-CG 3.39Å; L220-Q224 PolarHBondContact O-N 3Å
221E81.3Confident75.7Confident142 Ų14295 Ų9566%0.66447%0.465SS*.Hα-helixtrans-62-42.9176.5-172.7-179.3177.600111.1P217 Q224 K225P217-E221 PolarHBondContact O-N 3.28Å; E221-Q224 PolarHBondContact O-N 2.68Å; E221-K225 WeakPolarHBondContact O-CB 3.47Å; E221-K225 PolarHBondContact O-N 3.35Å
222T78.7Confident76Confident37 Ų3798.8 Ų98.823%0.22747%0.468CS..Hα-helixtrans-65.1-41.8177.5-52.80000112D218 K219 L220 K225 E226 W257D218-T222 PolarHBondContact O-N 3.26Å; D218-T222 PolarHBondContact O-OG1 3.19Å; K219-T222 PolarHBondContact O-N 2.83Å; L220-T222 VanDerWaalsContact C-N 3.33Å; L220-T222 PolarHBondContact O-N 2.88Å; T222-K225 PolarHBondContact O-N 3.41Å; T222-E226 WeakPolarHBondContact O-CG 2.91Å; T222-E226 PolarHBondContact O-N 3.33Å; T222-E226 VanDerWaalsContact O-N 3.13Å; T222-W257 HydrophobicContact CG2-CB 3.65Å; T222-W257 HydrophobicContact CG2-CG 4.1Å
223E76.9Confident76.2Confident39 Ų3997.9 Ų97.918%0.18247%0.465CS..Hα-helixtrans-62.9-47.4175.1-170178.6171.900111.8L214 K219 L220 K225 E226 L227 L249 I260L214-E223 WeakPolarHBondContact CD1-OE2 3.45Å; L214-E223 WeakPolarHBondContact CD2-OE2 3.46Å; K219-E223 WeakPolarHBondContact O-CB 3.36Å; K219-E223 PolarHBondContact O-N 3.19Å; L220-E223 PolarHBondContact O-N 2.86Å; E223-K225 VanDerWaalsContact C-N 3.31Å; E223-K225 PolarHBondContact O-N 3.11Å; E223-E226 PolarHBondContact O-N 2.98Å; E223-L227 VanDerWaalsContact O-CB 3.29Å; E223-L227 WeakPolarHBondContact O-CB 3.4Å; E223-L227 PolarHBondContact O-N 2.78Å; E223-L249 HydrophobicContact CB-CD1 4.12Å; E223-L249 HydrophobicContact CB-CD2 4.12Å; E223-L249 HydrophobicContact CB-CG 4.37Å; E223-L249 HydrophobicContact CG-CD2 4.41Å; E223-I260 HydrophobicContact CG-CD1 4.32Å; E223-I260 WeakPolarHBondContact O-CD1 3.33Å
224Q82.3Confident76.5Confident103 Ų10391.1 Ų91.148%0.48146%0.459SS..Hα-helixtrans-62.4-40.1179-74.7-179-1.800111.8L220 E221 L227 N228L220-Q224 HydrophobicContact CD1-CG 4.47Å; L220-Q224 WeakPolarHBondContact O-CB 3.25Å; L220-Q224 WeakPolarHBondContact O-CG 3.39Å; L220-Q224 PolarHBondContact O-N 3Å; E221-Q224 PolarHBondContact O-N 2.68Å; Q224-L227 PolarHBondContact O-N 3.2Å; Q224-N228 VanDerWaalsContact O-CB 3.28Å; Q224-N228 WeakPolarHBondContact O-CB 3.06Å; Q224-N228 PolarHBondContact O-N 2.99Å; Q224-N228 PolarHBondContact O-ND2 3.35Å; Q224-N228 VanDerWaalsContact O-ND2 3.15Å
225K84.5Confident76.7Confident152 Ų15294 Ų9466%0.66147%0.473SS*.Hα-helixtrans-61.9-48.4177.7-175.6178.4178.1179.40112E221 T222 E223 E229E221-K225 WeakPolarHBondContact O-CB 3.47Å; E221-K225 PolarHBondContact O-N 3.35Å; T222-K225 PolarHBondContact O-N 3.41Å; E223-K225 VanDerWaalsContact C-N 3.31Å; E223-K225 PolarHBondContact O-N 3.11Å; K225-E229 WeakPolarHBondContact O-CB 3.21Å; K225-E229 PolarHBondContact O-N 2.94Å
226E81.8Confident77.2Confident65 Ų6589.6 Ų89.630%0.30445%0.451SS..Hα-helixtrans-65.6-41.1177.5-71.9-68.2141.900111.6T222 E223 E229 L230 I260T222-E226 WeakPolarHBondContact O-CG 2.91Å; T222-E226 PolarHBondContact O-N 3.33Å; T222-E226 VanDerWaalsContact O-N 3.13Å; E223-E226 PolarHBondContact O-N 2.98Å; E226-E229 PolarHBondContact O-N 2.76Å; E226-L230 WeakPolarHBondContact O-CG 3.2Å; E226-L230 PolarHBondContact O-N 3.27Å; E226-I260 HydrophobicContact CB-CD1 3.55Å; E226-I260 HydrophobicContact CB-CG1 3.6Å; E226-I260 HydrophobicContact CG-CG1 4.44Å
227L79.8Confident77.2Confident70 Ų7094.4 Ų94.437%0.36647%0.471SS..Hα-helixtrans-63-45.6178.4-178.263.8000111.4E223 Q224 E229 L230 L231 L236 I260E223-L227 VanDerWaalsContact O-CB 3.29Å; E223-L227 WeakPolarHBondContact O-CB 3.4Å; E223-L227 PolarHBondContact O-N 2.78Å; Q224-L227 PolarHBondContact O-N 3.2Å; L227-E229 VanDerWaalsContact C-N 3.32Å; L227-E229 PolarHBondContact O-N 3.41Å; L227-L230 PolarHBondContact O-N 3.23Å; L227-L231 HydrophobicContact CG-CD1 4.31Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.46Å; L227-L236 HydrophobicContact CD1-CD1 3.54Å; L227-I260 HydrophobicContact CB-CD1 3.83Å; L227-I260 VanDerWaalsContact N-CD1 3.35Å
228N80Confident77.3Confident99 Ų9994.2 Ų94.253%0.52947%0.471SS..Hα-helixtrans-63.6-37.8177-75.1-27.8000111.9Q224 L231 R232Q224-N228 VanDerWaalsContact O-CB 3.28Å; Q224-N228 WeakPolarHBondContact O-CB 3.06Å; Q224-N228 PolarHBondContact O-N 2.99Å; Q224-N228 PolarHBondContact O-ND2 3.35Å; Q224-N228 VanDerWaalsContact O-ND2 3.15Å; N228-L231 PolarHBondContact O-N 3.16Å; N228-R232 VanDerWaalsContact O-CB 3.27Å; N228-R232 WeakPolarHBondContact O-CB 3.35Å; N228-R232 PolarHBondContact O-N 3.24Å
229E80.7Confident77.2Confident50 Ų5092.2 Ų92.223%0.23447%0.466CS..Hα-helixtrans-66.3-41.1175.3179.560.3-170.900111.7K225 E226 L227 R232 R233K225-E229 WeakPolarHBondContact O-CB 3.21Å; K225-E229 PolarHBondContact O-N 2.94Å; E226-E229 PolarHBondContact O-N 2.76Å; L227-E229 VanDerWaalsContact C-N 3.32Å; L227-E229 PolarHBondContact O-N 3.41Å; E229-R232 PolarHBondContact O-N 3.34Å; E229-R232 IonicContact OE1-CZ 2.76Å; E229-R232 IonicContact OE1-NE 3.88Å; E229-R232 IonicContact OE1-NH2 3.36Å; E229-R232 PolarHBondContact OE1-NH2 3.35Å; E229-R232 IonicContact OE2-CZ 2.81Å; E229-R232 IonicContact OE2-NE 2.77Å; E229-R232 PolarHBondContact OE2-NE 2.95Å; E229-R232 IonicContact OE2-NH2 3.25Å; E229-R232 PolarHBondContact OE2-NH2 2.78Å; E229-R232 VanDerWaalsContact OE2-NH2 3.11Å; E229-R233 WeakPolarHBondContact O-CG 3.35Å; E229-R233 PolarHBondContact O-N 3.22Å; E229-R233 IonicContact OE1-CZ 2.73Å; E229-R233 VanDerWaalsContact OE1-CZ 3.25Å; E229-R233 IonicContact OE1-NE 2.72Å; E229-R233 PolarHBondContact OE1-NE 3.16Å; E229-R233 IonicContact OE1-NH2 2.89Å; E229-R233 PolarHBondContact OE1-NH2 3.13Å
230L73.7Confident77.4Confident43 Ų4399 Ų9923%0.22549%0.492CS..Hα-helixtrans-66.2-36.3175.7-70.1176.6000112.7E226 L227 G234 I235 L236E226-L230 WeakPolarHBondContact O-CG 3.2Å; E226-L230 PolarHBondContact O-N 3.27Å; L227-L230 PolarHBondContact O-N 3.23Å; L230-G234 PolarHBondContact O-N 3.4Å; L230-I235 HydrophobicContact CD2-CB 4.36Å; L230-I235 HydrophobicContact CD2-CD1 3.89Å; L230-I235 HydrophobicContact CD2-CG2 4.36Å; L230-I235 PolarHBondContact O-N 2.83Å; L230-I235 VanDerWaalsContact O-N 3.09Å; L230-L236 HydrophobicContact CB-CB 4.43Å; L230-L236 HydrophobicContact CB-CD1 3.57Å; L230-L236 HydrophobicContact CB-CG 3.84Å; L230-L236 HydrophobicContact CD1-CD1 3.76Å; L230-L236 HydrophobicContact CD1-CG 4.38Å; L230-L236 HydrophobicContact CG-CD1 4.33Å; L230-L236 PolarHBondContact O-N 2.82Å
231L76.8Confident77.4Confident72 Ų72103.1 Ų103.138%0.37751%0.507SS..Hα-helixtrans-65.6-45.5170.9-73.8168.3000111.2L227 N228 R233 G234 L236L227-L231 HydrophobicContact CG-CD1 4.31Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.46Å; N228-L231 PolarHBondContact O-N 3.16Å; L231-R233 VanDerWaalsContact C-N 3.27Å; L231-R233 PolarHBondContact O-N 3.38Å; L231-G234 PolarHBondContact O-N 3Å; L231-L236 HydrophobicContact CD2-CB 3.94Å; L231-L236 HydrophobicContact CG-CB 4.36Å
232R77.7Confident77.4Confident181 Ų181100.3 Ų100.368%0.68350%0.501SS*.Hα-helixtrans-61.8-33.6178.4-167.7-172.771.982.52.3112.5N228 E229 G234N228-R232 VanDerWaalsContact O-CB 3.27Å; N228-R232 WeakPolarHBondContact O-CB 3.35Å; N228-R232 PolarHBondContact O-N 3.24Å; E229-R232 PolarHBondContact O-N 3.34Å; E229-R232 IonicContact OE1-CZ 2.76Å; E229-R232 IonicContact OE1-NE 3.88Å; E229-R232 IonicContact OE1-NH2 3.36Å; E229-R232 PolarHBondContact OE1-NH2 3.35Å; E229-R232 IonicContact OE2-CZ 2.81Å; E229-R232 IonicContact OE2-NE 2.77Å; E229-R232 PolarHBondContact OE2-NE 2.95Å; E229-R232 IonicContact OE2-NH2 3.25Å; E229-R232 PolarHBondContact OE2-NH2 2.78Å; E229-R232 VanDerWaalsContact OE2-NH2 3.11Å; R232-G234 VanDerWaalsContact C-N 3.28Å
233R70.8Confident77.6Confident164 Ų164103.2 Ų103.262%0.61951%0.508SS*.THydrogen-bonded Turntrans-77.3-9175.1-71.4-179.4-172-161.65114.1E229 L231 I235E229-R233 WeakPolarHBondContact O-CG 3.35Å; E229-R233 PolarHBondContact O-N 3.22Å; E229-R233 IonicContact OE1-CZ 2.73Å; E229-R233 VanDerWaalsContact OE1-CZ 3.25Å; E229-R233 IonicContact OE1-NE 2.72Å; E229-R233 PolarHBondContact OE1-NE 3.16Å; E229-R233 IonicContact OE1-NH2 2.89Å; E229-R233 PolarHBondContact OE1-NH2 3.13Å; L231-R233 VanDerWaalsContact C-N 3.27Å; L231-R233 PolarHBondContact O-N 3.38Å; R233-I235 HydrophobicContact CB-CD1 4.01Å; R233-I235 HydrophobicContact CB-CG1 3.99Å; R233-I235 PolarHBondContact O-N 3.1Å
234G69.4Low77.7Confident64 Ų64102.9 Ų102.966%0.6651%0.512SS*.THydrogen-bonded Turntrans69.317.1-174.100000114.1L230 L231 R232L230-G234 PolarHBondContact O-N 3.4Å; L231-G234 PolarHBondContact O-N 3Å; R232-G234 VanDerWaalsContact C-N 3.28Å
235I70.5Confident77.6Confident112 Ų112100.4 Ų100.457%0.57451%0.506SS*.SBendtrans-75.9-39.3173.8-63.7171.2000109.6L230 R233L230-I235 HydrophobicContact CD2-CB 4.36Å; L230-I235 HydrophobicContact CD2-CD1 3.89Å; L230-I235 HydrophobicContact CD2-CG2 4.36Å; L230-I235 PolarHBondContact O-N 2.83Å; L230-I235 VanDerWaalsContact O-N 3.09Å; R233-I235 HydrophobicContact CB-CD1 4.01Å; R233-I235 HydrophobicContact CB-CG1 3.99Å; R233-I235 PolarHBondContact O-N 3.1Å
236L71.5Confident77.3Confident71 Ų7194.2 Ų94.237%0.37248%0.482SS..SBendtrans-105.3151.3173.3-63.9178.2000110.5L227 L230 L231L227-L236 HydrophobicContact CD1-CD1 3.54Å; L230-L236 HydrophobicContact CB-CB 4.43Å; L230-L236 HydrophobicContact CB-CD1 3.57Å; L230-L236 HydrophobicContact CB-CG 3.84Å; L230-L236 HydrophobicContact CD1-CD1 3.76Å; L230-L236 HydrophobicContact CD1-CG 4.38Å; L230-L236 HydrophobicContact CG-CD1 4.33Å; L230-L236 PolarHBondContact O-N 2.82Å; L231-L236 HydrophobicContact CD2-CB 3.94Å; L231-L236 HydrophobicContact CG-CB 4.36Å
237M77.2Confident77.1Confident168 Ų16894 Ų9483%0.82848%0.484SS*.  trans-134.7144.5172.6-172.4-178.4-6600108.7S239M237-S239 PolarHBondContact O-N 3.38Å
238S78.5Confident76.9Confident91 Ų9194.3 Ų94.364%0.63648%0.484SS*.  trans-61.3134.3169.6-172.80000109.6
239S75.5Confident76.7Confident71 Ų7191.1 Ų91.150%0.49747%0.466SS..  trans-140.1152.6-176.575.50000111.3M237 F241M237-S239 PolarHBondContact O-N 3.38Å; S239-F241 VanDerWaalsContact CB-CD2 3.48Å
240Y79.5Confident76.5Confident221 Ų22191.9 Ų91.987%0.86748%0.475SS*.  trans-113.434.3-178-60.6-83000111.7
241F77.6Confident76.4Confident151 Ų15193.9 Ų93.966%0.66249%0.485SS*.  trans-84.9151-175.1-67.6-62.7000112.5S239 W243S239-F241 VanDerWaalsContact CB-CD2 3.48Å; F241-W243 PolarHBondContact O-N 2.96Å
242P81.4Confident76Confident82 Ų8296.5 Ų96.553%0.53249%0.494SS..SBendtrans-72.710.1176.432.3-37.5000113.6P206P206-P242 HydrophobicContact CB-CB 3.88Å; P206-P242 HydrophobicContact CB-CG 3.92Å; P206-P242 WeakPolarHBondContact CB-O 3.3Å; P206-P242 HydrophobicContact CG-CB 4.06Å; P206-P242 HydrophobicContact CG-CG 3.7Å
243W82.6Confident75.2Confident99 Ų9993.3 Ų93.338%0.37550%0.499SS..  trans-103.9126.7-177.1-6298.4000109.8A202 P206 V207 F241 L267 I270A202-W243 HydrophobicContact CB-CH2 3.85Å; A202-W243 HydrophobicContact CB-CZ2 4.49Å; P206-W243 VanDerWaalsContact CA-CH2 3.46Å; P206-W243 VanDerWaalsContact CA-CZ3 3.4Å; P206-W243 HydrophobicContact CB-CD2 3.75Å; P206-W243 HydrophobicContact CB-CE3 4.03Å; P206-W243 HydrophobicContact CB-CG 4.26Å; P206-W243 HydrophobicContact CB-CH2 4.27Å; P206-W243 HydrophobicContact CB-CZ2 3.99Å; P206-W243 HydrophobicContact CB-CZ3 4.28Å; P206-W243 HydrophobicContact CG-CD2 4.33Å; P206-W243 HydrophobicContact CG-CH2 4.38Å; P206-W243 HydrophobicContact CG-CZ2 3.8Å; V207-W243 HydrophobicContact CB-CE3 4.48Å; V207-W243 HydrophobicContact CB-CZ3 4.48Å; V207-W243 HydrophobicContact CG2-CZ3 4.46Å; V207-W243 VanDerWaalsContact N-CE3 3.29Å; V207-W243 VanDerWaalsContact N-CZ3 3.3Å; V207-W243 WeakPolarHBondContact O-CA 3.27Å; F241-W243 PolarHBondContact O-N 2.96Å; W243-L267 HydrophobicContact CE3-CD1 3.93Å; W243-L267 HydrophobicContact CZ3-CD1 3.83Å; W243-I270 HydrophobicContact CH2-CD1 3.68Å; W243-I270 HydrophobicContact CZ3-CD1 3.51Å
244A80.8Confident74.8Confident32 Ų3288 Ų8826%0.26450%0.495SS..  trans-145.3130.7175.200000111V207 I209V207-A244 PolarHBondContact O-N 3.41Å; I209-A244 HydrophobicContact CG2-CB 4.47Å; I209-A244 PolarHBondContact N-O 3.17Å
245S79.9Confident74.3Confident51 Ų5191.8 Ų91.836%0.35750%0.5SS..  trans-118.8151.4173.1-65.50000109.7
246S77.8Confident74Confident22 Ų2292.9 Ų92.915%0.15450%0.503CS..EExtended strand (participates in β ladder)trans-73.9153179.153.40000110.7H248 C263S246-H248 PolarHBondContact OG-NE2 3.41Å; S246-C263 PolarHBondContact O-N 3Å; S246-C263 WeakPolarHBondContact OG-CB 3.32Å
247V77.3Confident73.6Confident59 Ų5993.2 Ų93.236%0.35850%0.499SS..EExtended strand (participates in β ladder)trans-112.3137.3177.2161.60000108.5I260 L261V247-I260 HydrophobicContact CB-CG2 4.26Å; V247-I260 HydrophobicContact CG1-CB 4.44Å; V247-I260 HydrophobicContact CG1-CG2 3.16Å; V247-I260 HydrophobicContact CG2-CG2 4.16Å; V247-L261 WeakPolarHBondContact CA-O 3.26Å
248H76.1Confident72.8Confident78 Ų7888.9 Ų88.936%0.36148%0.479SS..EExtended strand (participates in β ladder)trans-129.8137-179.6-66.3-99.8000110.2S246 L261 C263S246-H248 PolarHBondContact OG-NE2 3.41Å; H248-L261 PolarHBondContact N-O 3.33Å; H248-L261 PolarHBondContact O-N 3.4Å; H248-C263 PolarHBondContact CD2-SG 2.83Å; H248-C263 PolarHBondContact NE2-SG 3.25Å
249L75.9Confident72.1Confident31 Ų3185.6 Ų85.616%0.16246%0.46CS..EExtended strand (participates in β ladder)trans-85.2131.1170.2-67.6172.6000110L214 K219 E223 W257 I260L214-L249 HydrophobicContact CD2-CD1 4Å; K219-L249 HydrophobicContact CB-CD1 3.87Å; K219-L249 VanDerWaalsContact O-CD1 3.26Å; K219-L249 WeakPolarHBondContact O-CD1 3.46Å; E223-L249 HydrophobicContact CB-CD1 4.12Å; E223-L249 HydrophobicContact CB-CD2 4.12Å; E223-L249 HydrophobicContact CB-CG 4.37Å; E223-L249 HydrophobicContact CG-CD2 4.41Å; L249-W257 HydrophobicContact CB-CE3 3.85Å; L249-W257 HydrophobicContact CB-CZ3 4.26Å; L249-I260 HydrophobicContact CD2-CG1 4.31Å
250V76Confident71.7Confident67 Ų6784.2 Ų84.241%0.40645%0.447SS..EExtended strand (participates in β ladder)trans-109.7127.5177.5-177.80000109.3N258 L261V250-N258 PolarHBondContact O-N 3.49Å; V250-L261 HydrophobicContact CG2-CB 3.97Å; V250-L261 HydrophobicContact CG2-CD2 3.99Å
251L71.9Confident71.3Confident85 Ų8578.4 Ų78.445%0.44543%0.43SS..EExtended strand (participates in β ladder)trans-81.5125.5171-165.873.3000108.6W257L251-W257 HydrophobicContact CB-CE3 4.05Å; L251-W257 HydrophobicContact CB-CZ3 3.97Å; L251-W257 HydrophobicContact CD1-CD2 3.86Å; L251-W257 HydrophobicContact CD1-CE3 4.05Å; L251-W257 HydrophobicContact CD1-CG 4.21Å; L251-W257 HydrophobicContact CD1-CZ2 4.4Å; L251-W257 HydrophobicContact CD1-CZ3 4.39Å
252K67.6Low71.2Confident127 Ų12773.3 Ų73.355%0.55242%0.421SS*.EExtended strand (participates in β ladder)trans-99.8165.7170.4-164.6177.1178.3-176.80109.3G254 H256 N258K252-G254 PolarHBondContact O-N 3.19Å; K252-H256 PolarHBondContact N-O 2.98Å; K252-N258 HydrophobicContact CB-CB 3.67Å; K252-N258 VanDerWaalsContact CB-ND2 3.27Å; K252-N258 WeakPolarHBondContact CB-ND2 3.1Å; K252-N258 HydrophobicContact CD-CB 4.04Å
253S61.1Low70.9Confident113 Ų11371 Ų7179%0.7941%0.406SS*.THydrogen-bonded Turntrans-49.8120.7175.254.40000111
254G62.9Low70.7Confident53 Ų5368.9 Ų68.955%0.54641%0.405SS..THydrogen-bonded Turntrans119.914.717900000116K252 H256K252-G254 PolarHBondContact O-N 3.19Å; G254-H256 PolarHBondContact O-CE1 3.16Å; G254-H256 PolarHBondContact O-N 3.12Å; G254-H256 PolarHBondContact O-ND1 3.18Å
255N59.4Low70.9Confident144 Ų14474.5 Ų74.577%0.7743%0.426SS*.THydrogen-bonded Turntrans58.514.2-176.9-75.1-1000115.5
256H63.5Low71Confident135 Ų13578.3 Ų78.363%0.62543%0.433SS*.EExtended strand (participates in β ladder)trans-100.9122173.7-64.881.6000109K252 G254 N258K252-H256 PolarHBondContact N-O 2.98Å; G254-H256 PolarHBondContact O-CE1 3.16Å; G254-H256 PolarHBondContact O-N 3.12Å; G254-H256 PolarHBondContact O-ND1 3.18Å; H256-N258 PolarHBondContact O-N 3.45Å; H256-N258 PolarHBondContact O-ND2 3.14Å
257W63.1Low71.3Confident77 Ų7779.3 Ų79.329%0.29244%0.436SS..EExtended strand (participates in β ladder)trans-60118.5167.5-60.6102000107.6K219 T222 L249 L251K219-W257 HydrophobicContact CD-CH2 4.13Å; K219-W257 HydrophobicContact CD-CZ2 4.15Å; K219-W257 VanDerWaalsContact CE-CH2 3.43Å; K219-W257 HydrophobicContact CG-CH2 4.36Å; K219-W257 HydrophobicContact CG-CZ2 3.92Å; T222-W257 HydrophobicContact CG2-CB 3.65Å; T222-W257 HydrophobicContact CG2-CG 4.1Å; L249-W257 HydrophobicContact CB-CE3 3.85Å; L249-W257 HydrophobicContact CB-CZ3 4.26Å; L251-W257 HydrophobicContact CB-CE3 4.05Å; L251-W257 HydrophobicContact CB-CZ3 3.97Å; L251-W257 HydrophobicContact CD1-CD2 3.86Å; L251-W257 HydrophobicContact CD1-CE3 4.05Å; L251-W257 HydrophobicContact CD1-CG 4.21Å; L251-W257 HydrophobicContact CD1-CZ2 4.4Å; L251-W257 HydrophobicContact CD1-CZ3 4.39Å
258N59.4Low71.7Confident77 Ų7781 Ų8141%0.41244%0.443SS..EExtended strand (participates in β ladder)trans-107.197-177.8-88.5-102.5000108.2V250 K252 H256V250-N258 PolarHBondContact O-N 3.49Å; K252-N258 HydrophobicContact CB-CB 3.67Å; K252-N258 VanDerWaalsContact CB-ND2 3.27Å; K252-N258 WeakPolarHBondContact CB-ND2 3.1Å; K252-N258 HydrophobicContact CD-CB 4.04Å; H256-N258 PolarHBondContact O-N 3.45Å; H256-N258 PolarHBondContact O-ND2 3.14Å
259G64.2Low72.2Confident23 Ų2381 Ų8124%0.23746%0.457CS..EExtended strand (participates in β ladder)trans69.6166.6165.900000116
260I67.2Low72.8Confident42 Ų4280.5 Ų80.522%0.21545%0.454CS..EExtended strand (participates in β ladder)trans-92.3123178.6-64.6-178.5000108.4E223 E226 L227 V247 L249E223-I260 HydrophobicContact CG-CD1 4.32Å; E223-I260 WeakPolarHBondContact O-CD1 3.33Å; E226-I260 HydrophobicContact CB-CD1 3.55Å; E226-I260 HydrophobicContact CB-CG1 3.6Å; E226-I260 HydrophobicContact CG-CG1 4.44Å; L227-I260 HydrophobicContact CB-CD1 3.83Å; L227-I260 VanDerWaalsContact N-CD1 3.35Å; V247-I260 HydrophobicContact CB-CG2 4.26Å; V247-I260 HydrophobicContact CG1-CB 4.44Å; V247-I260 HydrophobicContact CG1-CG2 3.16Å; V247-I260 HydrophobicContact CG2-CG2 4.16Å; L249-I260 HydrophobicContact CD2-CG1 4.31Å
261L72.6Confident73.3Confident98 Ų9878.8 Ų78.851%0.51344%0.444SS..EExtended strand (participates in β ladder)trans-104.8122.9174.4-169.472.7000110.7V247 H248 V250V247-L261 WeakPolarHBondContact CA-O 3.26Å; H248-L261 PolarHBondContact N-O 3.33Å; H248-L261 PolarHBondContact O-N 3.4Å; V250-L261 HydrophobicContact CG2-CB 3.97Å; V250-L261 HydrophobicContact CG2-CD2 3.99Å
262G74.6Confident74Confident45 Ų4577.6 Ų77.646%0.46444%0.44SS..EExtended strand (participates in β ladder)trans-81.3124.1172.200000111.8C264G262-C264 PolarHBondContact O-N 3.43Å; G262-C264 VanDerWaalsContact O-N 3.09Å
263C74.4Confident74.8Confident33 Ų3376.4 Ų76.422%0.22345%0.445CS..EExtended strand (participates in β ladder)trans-81.283.4173-840000110.7S246 H248 E265S246-C263 PolarHBondContact O-N 3Å; S246-C263 WeakPolarHBondContact OG-CB 3.32Å; H248-C263 PolarHBondContact CD2-SG 2.83Å; H248-C263 PolarHBondContact NE2-SG 3.25Å; C263-E265 PolarHBondContact O-N 3.2Å
264C78.6Confident75.4Confident54 Ų5478.5 Ų78.537%0.36544%0.442SS..  trans-79.812.4177.159.10000113.8G262 R266 L267 N268G262-C264 PolarHBondContact O-N 3.43Å; G262-C264 VanDerWaalsContact O-N 3.09Å; C264-R266 PolarHBondContact O-N 3.03Å; C264-L267 HydrophobicContact CB-CB 4.34Å; C264-L267 HydrophobicContact CB-CD2 4.49Å; C264-L267 CarbonylContact O-C 3.55Å; C264-L267 WeakPolarHBondContact O-CA 3.26Å; C264-L267 WeakPolarHBondContact O-CB 3.46Å; C264-L267 PolarHBondContact O-N 3.38Å; C264-N268 WeakPolarHBondContact O-CB 3.5Å; C264-N268 PolarHBondContact O-N 2.96Å; C264-N268 PolarHBondContact O-ND2 3.09Å; C264-N268 PolarHBondContact O-OD1 2.88Å; C264-N268 PolarHBondContact SG-ND2 2.81Å
265E84.7Confident75.4Confident150 Ų15079.6 Ų79.670%0.70145%0.454SS*.Hα-helixtrans-56-47.9-176.7-65.5178.2179.400112.9C263 L267 N268 A269C263-E265 PolarHBondContact O-N 3.2Å; E265-L267 VanDerWaalsContact C-N 3.28Å; E265-L267 PolarHBondContact O-N 3.24Å; E265-N268 PolarHBondContact O-N 2.67Å; E265-A269 WeakPolarHBondContact O-CB 3.01Å; E265-A269 PolarHBondContact O-N 3.15Å
266R83.6Confident75.5Confident132 Ų13282.1 Ų82.150%0.49845%0.454SS..Hα-helixtrans-67.4-30.9177.8-63.6-179.473.9-167.81.8112.2V207 H208 C264V207-R266 HydrophobicContact CG1-CB 3.66Å; H208-R266 PolarHBondContact O-NH1 3.13Å; H208-R266 VanDerWaalsContact O-NH1 3.11Å; C264-R266 PolarHBondContact O-N 3.03Å
267L83.7Confident75.6Confident42 Ų4280.6 Ų80.622%0.2246%0.456CS..Hα-helixtrans-69.6-49.6174.2-175.967.3000109.9W243 C264 E265 A269 I270 T271W243-L267 HydrophobicContact CE3-CD1 3.93Å; W243-L267 HydrophobicContact CZ3-CD1 3.83Å; C264-L267 HydrophobicContact CB-CB 4.34Å; C264-L267 HydrophobicContact CB-CD2 4.49Å; C264-L267 CarbonylContact O-C 3.55Å; C264-L267 WeakPolarHBondContact O-CA 3.26Å; C264-L267 WeakPolarHBondContact O-CB 3.46Å; C264-L267 PolarHBondContact O-N 3.38Å; E265-L267 VanDerWaalsContact C-N 3.28Å; E265-L267 PolarHBondContact O-N 3.24Å; L267-A269 VanDerWaalsContact C-N 3.25Å; L267-A269 PolarHBondContact O-N 3.46Å; L267-I270 WeakPolarHBondContact O-CG1 3.4Å; L267-I270 PolarHBondContact O-N 3.44Å; L267-I270 VanDerWaalsContact O-N 3.08Å; L267-T271 PolarHBondContact O-N 3.15Å; L267-T271 PolarHBondContact O-OG1 2.9Å
268N86.2Confident75.6Confident96 Ų9681.1 Ų81.151%0.51347%0.467SS..Hα-helixtrans-58.2-36.9177.6-66.4-13.8000112C264 E265 I270 T271C264-N268 WeakPolarHBondContact O-CB 3.5Å; C264-N268 PolarHBondContact O-N 2.96Å; C264-N268 PolarHBondContact O-ND2 3.09Å; C264-N268 PolarHBondContact O-OD1 2.88Å; C264-N268 PolarHBondContact SG-ND2 2.81Å; E265-N268 PolarHBondContact O-N 2.67Å; N268-I270 PolarHBondContact O-N 3.15Å; N268-T271 PolarHBondContact O-N 3.02Å
269A86.3Confident75.4Confident78 Ų7881.7 Ų81.765%0.64548%0.475SS*.Hα-helixtrans-63.3-26178.100000114E265 L267E265-A269 WeakPolarHBondContact O-CB 3.01Å; E265-A269 PolarHBondContact O-N 3.15Å; L267-A269 VanDerWaalsContact C-N 3.25Å; L267-A269 PolarHBondContact O-N 3.46Å
270I87.5Confident75.3Confident19 Ų1984.5 Ų84.510%0.09749%0.488CS..Hα-helixtrans-103.5-11.5177.568.4149.7000113.2A202 R203 N204 V207 W243 L267 N268A202-I270 HydrophobicContact CB-CD1 3.81Å; R203-I270 WeakPolarHBondContact CB-O 3.49Å; R203-I270 WeakPolarHBondContact CG-O 3.45Å; R203-I270 PolarHBondContact N-O 3.46Å; N204-I270 HydrophobicContact CB-CB 4.27Å; N204-I270 HydrophobicContact CB-CG2 4.13Å; V207-I270 HydrophobicContact CG2-CD1 3.92Å; V207-I270 HydrophobicContact CG2-CG1 4.23Å; V207-I270 HydrophobicContact CG2-CG2 4.35Å; W243-I270 HydrophobicContact CH2-CD1 3.68Å; W243-I270 HydrophobicContact CZ3-CD1 3.51Å; L267-I270 WeakPolarHBondContact O-CG1 3.4Å; L267-I270 PolarHBondContact O-N 3.44Å; L267-I270 VanDerWaalsContact O-N 3.08Å; N268-I270 PolarHBondContact O-N 3.15Å
271T87.3Confident74.8Confident32 Ų3286 Ų8620%0.19649%0.494CS..BIsolated β-bridgetrans-69.4136.1176.9-62.90000109.9I200 K201 L267 N268 P273I200-T271 HydrophobicContact CG2-CG2 3.78Å; K201-T271 WeakPolarHBondContact O-CA 3.4Å; L267-T271 PolarHBondContact O-N 3.15Å; L267-T271 PolarHBondContact O-OG1 2.9Å; N268-T271 PolarHBondContact O-N 3.02Å; T271-P273 WeakPolarHBondContact O-CD 3.2Å
272V87.1Confident73.9Confident60 Ų6089.7 Ų89.736%0.36451%0.508SS..PPolyproline II helixtrans-68.2119.3170.2179.90000107.5K201 R203 E274K201-V272 HydrophobicContact CB-CB 4.29Å; K201-V272 HydrophobicContact CB-CG2 4.24Å; K201-V272 PolarHBondContact O-N 3.19Å; R203-V272 HydrophobicContact CG-CG2 3.53Å; V272-E274 PolarHBondContact O-N 2.95Å; V272-E274 VanDerWaalsContact O-N 3.17Å
273P83Confident72.4Confident102 Ų10293.5 Ų93.566%0.66252%0.518SS*.PPolyproline II helixtrans-64.5119.7177.325.9-31.9000109.2T271T271-P273 WeakPolarHBondContact O-CD 3.2Å
274E74.4Confident70.9Confident156 Ų15694.6 Ų94.673%0.72953%0.526SS*.  trans-107.2100.9172.6-172171.6-170.500107.5V272V272-E274 PolarHBondContact O-N 2.95Å; V272-E274 VanDerWaalsContact O-N 3.17Å
275G62.1Low68.8Low76 Ų7696.4 Ų96.478%0.78454%0.537SS*.  trans-83.6116.1179.200000110.2
276Y63.2Low66.6Low198 Ų19892.1 Ų92.178%0.77652%0.524SS*.  trans-81.4139.3157.7-163.7-94.3000108.1V278Y276-V278 VanDerWaalsContact C-N 3.33Å; Y276-V278 PolarHBondContact O-N 2.87Å
277P65.1Low64.4Low102 Ų10289.9 Ų89.966%0.66253%0.534SS*.  trans-64.595.7174.526.7-33.4000109.1P279P277-P279 WeakPolarHBondContact O-CD 3.07Å
278V63.3Low62.3Low88 Ų8892.2 Ų92.253%0.53355%0.549SS..PPolyproline II helixtrans-79.7117.9167.9-178.70000106.2Y276 V280Y276-V278 VanDerWaalsContact C-N 3.33Å; Y276-V278 PolarHBondContact O-N 2.87Å; V278-V280 PolarHBondContact O-N 3.39Å; V278-V280 VanDerWaalsContact O-N 3.16Å
279P54.8Low59.9Low89 Ų8992.2 Ų92.258%0.57854%0.543SS*.PPolyproline II helixtrans-58123.7178.3-21.231.6000109.5P277 E281P277-P279 WeakPolarHBondContact O-CD 3.07Å; P279-E281 PolarHBondContact O-N 3.37Å
280V62.6Low57.2Low83 Ų8391.8 Ų91.850%0.50355%0.546SS..PPolyproline II helixtrans-63.4129166.4-178.60000106V278 E282 N283 S284V278-V280 PolarHBondContact O-N 3.39Å; V278-V280 VanDerWaalsContact O-N 3.16Å; V280-E282 HydrophobicContact CG1-CB 4.21Å; V280-E282 PolarHBondContact O-N 3.11Å; V280-N283 HydrophobicContact CB-CB 4.42Å; V280-N283 CarbonylContact O-C 3.56Å; V280-N283 PolarHBondContact O-N 2.71Å; V280-S284 PolarHBondContact O-N 2.97Å
281E56.8Low54.4Low73 Ų7395.2 Ų95.234%0.34158%0.578SS.*G310 helixtrans-58-24-174.8-65-158.2157.300113.3P279 S284 R306 N307P279-E281 PolarHBondContact O-N 3.37Å; E281-S284 PolarHBondContact O-OG 3.07Å; E281-R306 HydrophobicContact CG-CB 4.04Å; E281-R306 WeakPolarHBondContact OE1-CB 3.48Å; E281-R306 VanDerWaalsContact OE1-CD 3.25Å; E281-R306 WeakPolarHBondContact OE1-CD 3.47Å; E281-N307 WeakPolarHBondContact OE2-CB 3.46Å; E281-N307 PolarHBondContact OE2-ND2 2.92Å
282E52.4Low51.6Low175 Ų17596.6 Ų96.682%0.81859%0.588SS**G310 helixtrans-76.1-23.1176.8-63.2-180165.700113.2V280V280-E282 HydrophobicContact CG1-CB 4.21Å; V280-E282 PolarHBondContact O-N 3.11Å
283N44.5Very low48.9Very low126 Ų12697.1 Ų97.167%0.67459%0.594SS**G310 helixtrans-109.821.3-177.5-68.7-20.6000112.7V280 P285V280-N283 HydrophobicContact CB-CB 4.42Å; V280-N283 CarbonylContact O-C 3.56Å; V280-N283 PolarHBondContact O-N 2.71Å; N283-P285 WeakPolarHBondContact O-CD 3.18Å
284S41.1Very low46.7Very low56 Ų5696.1 Ų96.139%0.39259%0.59SS.*  trans-104.958.6169600000112.1V280 E281V280-S284 PolarHBondContact O-N 2.97Å; E281-S284 PolarHBondContact O-OG 3.07Å
285P34.9Very low44.7Very low92 Ų9293.8 Ų93.860%0.59758%0.583SS**THydrogen-bonded Turntrans-64.7144.7161.834-30.3000106.1N283N283-P285 WeakPolarHBondContact O-CD 3.18Å
286S39Very low43.3Very low60 Ų6094.3 Ų94.342%0.4257%0.573SS.*THydrogen-bonded Turntrans100-23.5168.6-35.40000119.2
287A37.9Very low42.1Very low85 Ų8590.2 Ų90.270%0.70256%0.564SS**THydrogen-bonded Turntrans-89.4-4-172.500000116.1
288T39.1Very low40.8Very low90 Ų9093.1 Ų93.155%0.55257%0.574SS**THydrogen-bonded Turntrans-122.311.9-174.555.80000114.7G290 R336T288-G290 PolarHBondContact O-N 3.46Å; T288-R336 PolarHBondContact O-NH2 3.41Å
289Y35.1Very low39.8Very low97 Ų9792.9 Ų92.938%0.3857%0.567SS.*SBendtrans-92.488.9168.8-96.3-102.7000109.1V351Y289-V351 HydrophobicContact CD2-CG1 3.73Å; Y289-V351 HydrophobicContact CE2-CB 3.91Å; Y289-V351 HydrophobicContact CE2-CG1 3.18Å
290G29.4Very low38.9Very low69 Ų6994.5 Ų94.571%0.71156%0.561SS**SBendtrans139.5-10.8171.700000116.5T288 S292T288-G290 PolarHBondContact O-N 3.46Å; G290-S292 PolarHBondContact O-N 3.17Å; G290-S292 VanDerWaalsContact O-N 3.16Å
291A29Very low37.5Very low91 Ų9196.9 Ų96.975%0.75257%0.571SS**  trans-87.684.1-179.800000111.7S293A291-S293 PolarHBondContact O-N 2.66Å
292S29.7Very low36.5Very low60 Ų6095.3 Ų95.342%0.4257%0.568SS.*  trans-84.699.8171.743.50000110.5T135 G290T135-S292 WeakPolarHBondContact CG2-O 3.46Å; T135-S292 WeakPolarHBondContact OG1-CB 3.47Å; T135-S292 PolarHBondContact OG1-O 3.48Å; T135-S292 PolarHBondContact OG1-OG 3.5Å; G290-S292 PolarHBondContact O-N 3.17Å; G290-S292 VanDerWaalsContact O-N 3.16Å
293S30.1Very low35.8Very low71 Ų7188.5 Ų88.550%0.49754%0.537SS..SBendtrans66.6158.8176.384.10000116.5T135 A291T135-S293 WeakPolarHBondContact CG2-OG 3.27Å; A291-S293 PolarHBondContact O-N 2.66Å
294S36.7Very low35.3Very low81 Ų8183.6 Ų83.657%0.56652%0.516SS*.  trans76.1120.6173.174.20000115.3
295N32.3Very low35.1Very low108 Ų10890.9 Ų90.958%0.57854%0.535SS*.  cis-143.5105.510-80.3-30000108.2L297N295-L297 HydrophobicContact CB-CD1 4.26Å; N295-L297 PolarHBondContact O-N 2.78Å
296C32.2Very low35.3Very low86 Ų8692.7 Ų92.758%0.58153%0.53SS*.  trans-8263.2173.4-71.50000110.6
297L38.8Very low35.7Very low113 Ų11392.1 Ų92.159%0.59252%0.522SS*.SBendtrans-75.6118.4165.4-77.4153000106.8N295 H299N295-L297 HydrophobicContact CB-CD1 4.26Å; N295-L297 PolarHBondContact O-N 2.78Å; L297-H299 PolarHBondContact O-N 3.16Å
298D38Very low36.4Very low162 Ų16298 Ų9887%0.86653%0.526SS*.SBendtrans64.413.2175.6-81-21000120.8
299H41.2Very low36.7Very low84 Ų8498.2 Ų98.239%0.38952%0.524SS..  trans-83.9-10-175.9-104-90000116.9L297 L301 S302 I303L297-H299 PolarHBondContact O-N 3.16Å; H299-L301 VanDerWaalsContact C-N 3.32Å; H299-L301 PolarHBondContact O-N 3.31Å; H299-S302 PolarHBondContact O-N 3.39Å; H299-I303 HydrophobicContact CB-CD1 3.79Å; H299-I303 HydrophobicContact CB-CG1 4.13Å; H299-I303 WeakPolarHBondContact O-CB 3.46Å; H299-I303 VanDerWaalsContact O-CG1 3.26Å; H299-I303 WeakPolarHBondContact O-CG1 3.49Å; H299-I303 PolarHBondContact O-N 3.03Å
300R35.1Very low37.4Very low122 Ų12294.4 Ų94.446%0.4651%0.51SS..Hα-helixtrans-64.4-33.9-174-148.7174.3-178.2-174.8-1.9112.9W324R300-W324 HydrophobicContact CB-CH2 4.32Å; R300-W324 HydrophobicContact CB-CZ2 4.41Å; R300-W324 HydrophobicContact CG-CH2 3.9Å; R300-W324 HydrophobicContact CG-CZ2 4Å; R300-W324 HydrophobicContact CG-CZ3 4.18Å
301L34.5Very low38.3Very low134 Ų13495.7 Ų95.770%0.70250%0.496SS*.Hα-helixtrans-79.2-26.2173.4-81.9156.2000113.2H299 R305H299-L301 VanDerWaalsContact C-N 3.32Å; H299-L301 PolarHBondContact O-N 3.31Å; L301-R305 WeakPolarHBondContact O-CG 3.32Å
302S36.4Very low39.3Very low40 Ų4094.8 Ų94.828%0.2848%0.481SS..Hα-helixtrans-83.8-40.2-177.8-163.80000112.1H299 R305H299-S302 PolarHBondContact O-N 3.39Å; S302-R305 PolarHBondContact O-N 2.84Å
303I37.7Very low40.3Very low31 Ų3193.8 Ų93.816%0.15947%0.474CS..Hα-helixtrans-67.6-41.9177.7-64.7167.1000110.9H299 R305 R306 N307 I310H299-I303 HydrophobicContact CB-CD1 3.79Å; H299-I303 HydrophobicContact CB-CG1 4.13Å; H299-I303 WeakPolarHBondContact O-CB 3.46Å; H299-I303 VanDerWaalsContact O-CG1 3.26Å; H299-I303 WeakPolarHBondContact O-CG1 3.49Å; H299-I303 PolarHBondContact O-N 3.03Å; I303-R305 PolarHBondContact O-N 3.16Å; I303-R305 VanDerWaalsContact O-N 3.17Å; I303-R306 PolarHBondContact O-N 3.2Å; I303-N307 PolarHBondContact O-N 3.33Å; I303-I310 HydrophobicContact CG2-CG2 3.69Å
304G32.5Very low41.2Very low23 Ų2391.8 Ų91.824%0.23746%0.458CS..Hα-helixtrans-66.7-13.5176.600000114.6
305R38.1Very low41.9Very low210 Ų21094.4 Ų94.479%0.79246%0.463SS*.Hα-helixtrans-90.4-18.8175.8-78.6177.6178.4166.50.8113.6L301 S302 I303L301-R305 WeakPolarHBondContact O-CG 3.32Å; S302-R305 PolarHBondContact O-N 2.84Å; I303-R305 PolarHBondContact O-N 3.16Å; I303-R305 VanDerWaalsContact O-N 3.17Å
306R38.6Very low42.7Very low129 Ų12995.3 Ų95.349%0.48747%0.472SS..Hα-helixtrans-104.2-20.9-173.7-71.9-172.1170.6134.4-2.3115.3E281 I303E281-R306 HydrophobicContact CG-CB 4.04Å; E281-R306 WeakPolarHBondContact OE1-CB 3.48Å; E281-R306 VanDerWaalsContact OE1-CD 3.25Å; E281-R306 WeakPolarHBondContact OE1-CD 3.47Å; I303-R306 PolarHBondContact O-N 3.2Å
307N48.1Very low43.7Very low48 Ų4892.3 Ų92.326%0.25745%0.451SS..  trans-139.9119.2-179.8-158-59.8000114E281 I303 N309 I310 K311E281-N307 WeakPolarHBondContact OE2-CB 3.46Å; E281-N307 PolarHBondContact OE2-ND2 2.92Å; I303-N307 PolarHBondContact O-N 3.33Å; N307-N309 PolarHBondContact O-N 3.08Å; N307-N309 PolarHBondContact OD1-N 3.2Å; N307-I310 HydrophobicContact CB-CB 3.95Å; N307-I310 HydrophobicContact CB-CD1 3.69Å; N307-I310 HydrophobicContact CB-CG1 3.83Å; N307-I310 PolarHBondContact OD1-N 3.42Å; N307-K311 WeakPolarHBondContact O-CB 3.21Å; N307-K311 PolarHBondContact O-N 3.32Å
308R51.6Low44.1Very low208 Ų20891.1 Ų91.179%0.78545%0.45SS*.Hα-helixtrans-65.2-36.5-179.4-166.2177.2-178.6-175.1-0.7112.3K311 T312R308-K311 PolarHBondContact O-N 2.88Å; R308-T312 WeakPolarHBondContact O-CG2 3.32Å; R308-T312 PolarHBondContact O-N 3.39Å; R308-T312 PolarHBondContact O-OG1 2.92Å
309N45.1Very low44.5Very low96 Ų9692.4 Ų92.451%0.51345%0.451SS..Hα-helixtrans-75.7-34.7-177.4-65.1-14.1000112.1N307 T312 S313 L335N307-N309 PolarHBondContact O-N 3.08Å; N307-N309 PolarHBondContact OD1-N 3.2Å; N309-T312 WeakPolarHBondContact CA-OG1 3.46Å; N309-T312 PolarHBondContact O-OG1 3.24Å; N309-S313 VanDerWaalsContact O-CB 3.3Å; N309-S313 WeakPolarHBondContact O-CB 3.36Å; N309-S313 PolarHBondContact O-N 3.4Å; N309-S313 PolarHBondContact O-OG 3.41Å; N309-L335 HydrophobicContact CB-CD2 3.97Å
310I50.9Low44.6Very low16 Ų1697.1 Ų97.18%0.08247%0.473CS..Hα-helixtrans-68.6-41.7171.3-60.7174.6000109.6I303 N307 S313 L314 L328 L332 L335I303-I310 HydrophobicContact CG2-CG2 3.69Å; N307-I310 HydrophobicContact CB-CB 3.95Å; N307-I310 HydrophobicContact CB-CD1 3.69Å; N307-I310 HydrophobicContact CB-CG1 3.83Å; N307-I310 PolarHBondContact OD1-N 3.42Å; I310-S313 PolarHBondContact O-N 3.38Å; I310-L314 HydrophobicContact CG2-CD1 3.59Å; I310-L314 HydrophobicContact CG2-CG 4.07Å; I310-L314 VanDerWaalsContact O-CB 3.27Å; I310-L314 WeakPolarHBondContact O-CB 3.38Å; I310-L314 VanDerWaalsContact O-CG 3.26Å; I310-L314 WeakPolarHBondContact O-CG 3.15Å; I310-L314 PolarHBondContact O-N 3.33Å; I310-L328 HydrophobicContact CG2-CD1 4.41Å; I310-L332 HydrophobicContact CD1-CD2 4.24Å; I310-L335 HydrophobicContact CD1-CD1 4.33Å; I310-L335 HydrophobicContact CG1-CD1 3.43Å; I310-L335 VanDerWaalsContact CG1-CD1 3.43Å
311K47.4Very low45.2Very low96 Ų9693.9 Ų93.942%0.41747%0.465SS..Hα-helixtrans-60.4-48.2176-176.1-178179.6178.10111.9N307 R308 L314 M315N307-K311 WeakPolarHBondContact O-CB 3.21Å; N307-K311 PolarHBondContact O-N 3.32Å; R308-K311 PolarHBondContact O-N 2.88Å; K311-L314 PolarHBondContact O-N 2.89Å; K311-M315 HydrophobicContact CG-CE 4.38Å; K311-M315 HydrophobicContact CG-CG 4.46Å; K311-M315 HydrophobicContact CG-SD 4.18Å; K311-M315 VanDerWaalsContact O-CB 3.32Å; K311-M315 WeakPolarHBondContact O-CB 3.46Å; K311-M315 VanDerWaalsContact O-CG 3.24Å; K311-M315 WeakPolarHBondContact O-CG 3.37Å; K311-M315 PolarHBondContact O-N 3.3Å
312T50.4Low46Very low72 Ų7292.9 Ų92.944%0.44247%0.466SS..Hα-helixtrans-61.7-45.917849.50000111.1R308 N309 L314 M315 V316R308-T312 WeakPolarHBondContact O-CG2 3.32Å; R308-T312 PolarHBondContact O-N 3.39Å; R308-T312 PolarHBondContact O-OG1 2.92Å; N309-T312 WeakPolarHBondContact CA-OG1 3.46Å; N309-T312 PolarHBondContact O-OG1 3.24Å; T312-L314 PolarHBondContact O-N 3.32Å; T312-M315 PolarHBondContact O-N 2.9Å; T312-M315 VanDerWaalsContact O-N 3.11Å; T312-V316 WeakPolarHBondContact O-CG2 3.38Å; T312-V316 PolarHBondContact O-N 3.47Å; T312-V316 VanDerWaalsContact O-N 3.15Å
313S50Low46.6Very low40 Ų4096 Ų9628%0.2848%0.475SS..Hα-helixtrans-65.2-38.2-179.7-54.10000112.8N309 I310 M315 V316N309-S313 VanDerWaalsContact O-CB 3.3Å; N309-S313 WeakPolarHBondContact O-CB 3.36Å; N309-S313 PolarHBondContact O-N 3.4Å; N309-S313 PolarHBondContact O-OG 3.41Å; I310-S313 PolarHBondContact O-N 3.38Å; S313-M315 VanDerWaalsContact C-N 3.34Å; S313-V316 PolarHBondContact O-N 3.4Å
314L50.1Low47.3Very low29 Ų2996 Ų9615%0.15247%0.473CS..Hα-helixtrans-75.4-19.5173.8-70.2175.9000113.4I310 K311 T312 T317 W324 L328I310-L314 HydrophobicContact CG2-CD1 3.59Å; I310-L314 HydrophobicContact CG2-CG 4.07Å; I310-L314 VanDerWaalsContact O-CB 3.27Å; I310-L314 WeakPolarHBondContact O-CB 3.38Å; I310-L314 VanDerWaalsContact O-CG 3.26Å; I310-L314 WeakPolarHBondContact O-CG 3.15Å; I310-L314 PolarHBondContact O-N 3.33Å; K311-L314 PolarHBondContact O-N 2.89Å; T312-L314 PolarHBondContact O-N 3.32Å; L314-T317 VanDerWaalsContact C-OG1 3.28Å; L314-T317 WeakPolarHBondContact CA-OG1 3.2Å; L314-T317 PolarHBondContact O-OG1 3.24Å; L314-W324 HydrophobicContact CD2-CE3 4.16Å; L314-L328 HydrophobicContact CD1-CD1 4.15Å; L314-L328 HydrophobicContact CD2-CB 4.33Å; L314-L328 HydrophobicContact CD2-CD1 4.1Å
315M50.8Low48.1Very low136 Ų13699 Ų9967%0.6749%0.486SS*.Hα-helixtrans-80-20.4172.7-80.5-170.7159.800112.8K311 T312 S313 T317K311-M315 HydrophobicContact CG-CE 4.38Å; K311-M315 HydrophobicContact CG-CG 4.46Å; K311-M315 HydrophobicContact CG-SD 4.18Å; K311-M315 VanDerWaalsContact O-CB 3.32Å; K311-M315 WeakPolarHBondContact O-CB 3.46Å; K311-M315 VanDerWaalsContact O-CG 3.24Å; K311-M315 WeakPolarHBondContact O-CG 3.37Å; K311-M315 PolarHBondContact O-N 3.3Å; T312-M315 PolarHBondContact O-N 2.9Å; T312-M315 VanDerWaalsContact O-N 3.11Å; S313-M315 VanDerWaalsContact C-N 3.34Å; M315-T317 VanDerWaalsContact C-N 3.31Å
316V49.9Very low48.5Very low126 Ų12691.1 Ų91.176%0.76447%0.47SS*.Hα-helixtrans-75.6-22.5171.9176.90000111.3T312 S313T312-V316 WeakPolarHBondContact O-CG2 3.38Å; T312-V316 PolarHBondContact O-N 3.47Å; T312-V316 VanDerWaalsContact O-N 3.15Å; S313-V316 PolarHBondContact O-N 3.4Å
317T52.8Low48.8Very low24 Ų2485.9 Ų85.915%0.14746%0.455CS..SBendtrans-70.3134.3168.822.50000112L314 M315 Q319 A327L314-T317 VanDerWaalsContact C-OG1 3.28Å; L314-T317 WeakPolarHBondContact CA-OG1 3.2Å; L314-T317 PolarHBondContact O-OG1 3.24Å; M315-T317 VanDerWaalsContact C-N 3.31Å; T317-Q319 PolarHBondContact O-N 2.97Å; T317-A327 HydrophobicContact CG2-CB 3.3Å
318P46.4Very low49Very low87 Ų8784.4 Ų84.457%0.56545%0.447SS*.  trans-52.4132.4177.4-23.631.9000111.6E320 D321P318-E320 PolarHBondContact O-N 3.04Å; P318-D321 PolarHBondContact O-N 2.99Å; P318-D321 VanDerWaalsContact O-N 3.08Å
319Q46.5Very low48.8Very low190 Ų19077.4 Ų77.489%0.88843%0.433SS*.THydrogen-bonded Turntrans-57.6-21.9-175.3-73.4-171.5-2.800113.6T317T317-Q319 PolarHBondContact O-N 2.97Å
320E43.7Very low48.8Very low182 Ų18277.3 Ų77.385%0.8543%0.432SS*.THydrogen-bonded Turntrans-97.2-1-175.9-61.5-174.917100113.9P318 P322P318-E320 PolarHBondContact O-N 3.04Å; E320-P322 WeakPolarHBondContact O-CD 3.44Å
321D46.6Very low48.7Very low55 Ų5577.6 Ų77.629%0.29443%0.434SS..  trans-80.3111.1-175.7-166-2.2000111.9P318 K323 W324P318-D321 PolarHBondContact O-N 2.99Å; P318-D321 VanDerWaalsContact O-N 3.08Å; D321-K323 PolarHBondContact O-N 3.09Å; D321-K323 VanDerWaalsContact O-N 3.11Å; D321-K323 WeakPolarHBondContact OD1-CB 3.33Å; D321-K323 WeakPolarHBondContact OD1-CG 3.23Å; D321-K323 PolarHBondContact OD1-N 3.38Å; D321-W324 PolarHBondContact O-N 2.85Å
322P51.3Low48.8Very low113 Ų11376.4 Ų76.473%0.73443%0.432SS*.THydrogen-bonded Turntrans-63.1-13.2172.228.2-35.3000112.3E320E320-P322 WeakPolarHBondContact O-CD 3.44Å
323K50.8Low48.7Very low106 Ų10676.2 Ų76.246%0.46143%0.428SS..THydrogen-bonded Turntrans-88.511.7177.7-54.8-178.7180-174.60114.6D321 V325 G326 A327D321-K323 PolarHBondContact O-N 3.09Å; D321-K323 VanDerWaalsContact O-N 3.11Å; D321-K323 WeakPolarHBondContact OD1-CB 3.33Å; D321-K323 WeakPolarHBondContact OD1-CG 3.23Å; D321-K323 PolarHBondContact OD1-N 3.38Å; K323-V325 PolarHBondContact O-N 3.11Å; K323-G326 WeakPolarHBondContact O-CA 3.5Å; K323-G326 PolarHBondContact O-N 3.39Å; K323-A327 PolarHBondContact O-N 3.31Å
324W51.5Low48.5Very low31 Ų3176 Ų7612%0.11743%0.433CS..Hα-helixtrans-53.6-24.2177.476.1-86000113.9R300 L314 D321 G326 A327 L328R300-W324 HydrophobicContact CB-CH2 4.32Å; R300-W324 HydrophobicContact CB-CZ2 4.41Å; R300-W324 HydrophobicContact CG-CH2 3.9Å; R300-W324 HydrophobicContact CG-CZ2 4Å; R300-W324 HydrophobicContact CG-CZ3 4.18Å; L314-W324 HydrophobicContact CD2-CE3 4.16Å; D321-W324 PolarHBondContact O-N 2.85Å; W324-G326 VanDerWaalsContact C-N 3.32Å; W324-A327 CarbonylContact O-C 3.54Å; W324-A327 WeakPolarHBondContact O-CB 3.11Å; W324-A327 PolarHBondContact O-N 3.26Å; W324-L328 HydrophobicContact CE3-CB 4.34Å; W324-L328 HydrophobicContact CZ3-CB 4.31Å; W324-L328 HydrophobicContact CZ3-CD2 4.01Å; W324-L328 PolarHBondContact O-N 3.02Å
325V49.1Very low48.5Very low84 Ų8476.6 Ų76.651%0.50944%0.435SS..Hα-helixtrans-64.2-36.7174-176.30000111.5K323 L328 A329K323-V325 PolarHBondContact O-N 3.11Å; V325-L328 WeakPolarHBondContact O-CB 3.01Å; V325-L328 PolarHBondContact O-N 3.24Å; V325-A329 PolarHBondContact O-N 3.18Å
326G46.1Very low48.2Very low45 Ų4575 Ų7546%0.46442%0.422SS..Hα-helixtrans-66.4-40.3171.800000111.7K323 W324 A329 I330K323-G326 WeakPolarHBondContact O-CA 3.5Å; K323-G326 PolarHBondContact O-N 3.39Å; W324-G326 VanDerWaalsContact C-N 3.32Å; G326-A329 PolarHBondContact O-N 3.47Å; G326-I330 WeakPolarHBondContact O-CG1 3.4Å; G326-I330 PolarHBondContact O-N 3.31Å
327A46.1Very low47.8Very low19 Ų1970.5 Ų70.516%0.15740%0.398CS..Hα-helixtrans-66.2-35.6173.100000112.4T317 K323 W324 A329 I330 V331T317-A327 HydrophobicContact CG2-CB 3.3Å; K323-A327 PolarHBondContact O-N 3.31Å; W324-A327 CarbonylContact O-C 3.54Å; W324-A327 WeakPolarHBondContact O-CB 3.11Å; W324-A327 PolarHBondContact O-N 3.26Å; A327-A329 VanDerWaalsContact C-N 3.31Å; A327-A329 PolarHBondContact O-N 3.28Å; A327-I330 CarbonylContact O-C 3.59Å; A327-I330 PolarHBondContact O-N 3.33Å; A327-I330 VanDerWaalsContact O-N 3.16Å; A327-V331 WeakPolarHBondContact O-CB 3.05Å; A327-V331 WeakPolarHBondContact O-CG2 3.23Å; A327-V331 PolarHBondContact O-N 3.34Å
328L51.1Low47.5Very low18 Ų1873.9 Ų73.99%0.09442%0.415CS..Hα-helixtrans-59.6-43.3174.9-179.370.5000111.1I310 L314 W324 V325 I330 V331 L332I310-L328 HydrophobicContact CG2-CD1 4.41Å; L314-L328 HydrophobicContact CD1-CD1 4.15Å; L314-L328 HydrophobicContact CD2-CB 4.33Å; L314-L328 HydrophobicContact CD2-CD1 4.1Å; W324-L328 HydrophobicContact CE3-CB 4.34Å; W324-L328 HydrophobicContact CZ3-CB 4.31Å; W324-L328 HydrophobicContact CZ3-CD2 4.01Å; W324-L328 PolarHBondContact O-N 3.02Å; V325-L328 WeakPolarHBondContact O-CB 3.01Å; V325-L328 PolarHBondContact O-N 3.24Å; L328-I330 VanDerWaalsContact C-N 3.32Å; L328-I330 PolarHBondContact O-N 3.26Å; L328-V331 PolarHBondContact O-N 3.16Å; L328-L332 HydrophobicContact CD1-CD1 4.19Å; L328-L332 HydrophobicContact CD1-CG 4.18Å; L328-L332 HydrophobicContact CD2-CD1 4.44Å; L328-L332 HydrophobicContact CG-CD1 3.9Å; L328-L332 HydrophobicContact CG-CG 4.28Å; L328-L332 VanDerWaalsContact O-CB 3.32Å; L328-L332 WeakPolarHBondContact O-CB 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.37Å
329A47.9Very low47.7Very low60 Ų6071.2 Ų71.250%0.49640%0.398SS..Hα-helixtrans-60.3-43.7175.700000111.4V325 G326 A327 L333V325-A329 PolarHBondContact O-N 3.18Å; G326-A329 PolarHBondContact O-N 3.47Å; A327-A329 VanDerWaalsContact C-N 3.31Å; A327-A329 PolarHBondContact O-N 3.28Å; A329-L333 WeakPolarHBondContact O-CB 3.48Å; A329-L333 PolarHBondContact O-N 3.26Å
330I46.1Very low47.9Very low95 Ų9567 Ų6749%0.48738%0.377SS..Hα-helixtrans-66.1-42.8177.2-62.9169.3000111.4G326 A327 L328 L333 G334 F362G326-I330 WeakPolarHBondContact O-CG1 3.4Å; G326-I330 PolarHBondContact O-N 3.31Å; A327-I330 CarbonylContact O-C 3.59Å; A327-I330 PolarHBondContact O-N 3.33Å; A327-I330 VanDerWaalsContact O-N 3.16Å; L328-I330 VanDerWaalsContact C-N 3.32Å; L328-I330 PolarHBondContact O-N 3.26Å; I330-L333 WeakPolarHBondContact O-CB 3.34Å; I330-L333 PolarHBondContact O-N 3.06Å; I330-G334 PolarHBondContact O-N 3.17Å; I330-F362 HydrophobicContact CG1-CZ 4.43Å
331V48.2Very low48Very low22 Ų2261.5 Ų61.513%0.13336%0.357CS..Hα-helixtrans-64-46178165.60000110.7A327 L328 L333 G334 L335A327-V331 WeakPolarHBondContact O-CB 3.05Å; A327-V331 WeakPolarHBondContact O-CG2 3.23Å; A327-V331 PolarHBondContact O-N 3.34Å; L328-V331 PolarHBondContact O-N 3.16Å; V331-L333 VanDerWaalsContact C-N 3.28Å; V331-L333 PolarHBondContact O-N 2.81Å; V331-G334 PolarHBondContact O-N 2.98Å; V331-L335 HydrophobicContact CG1-CD1 3.83Å; V331-L335 HydrophobicContact CG1-CG 4.42Å; V331-L335 WeakPolarHBondContact O-CB 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.04Å; V331-L335 PolarHBondContact O-N 3.36Å
332L49.2Very low47.9Very low71 Ų7166.3 Ų66.337%0.37238%0.383SS..Hα-helixtrans-64.5-35.6176.1-71173.8000111.6I310 L328 R336I310-L332 HydrophobicContact CD1-CD2 4.24Å; L328-L332 HydrophobicContact CD1-CD1 4.19Å; L328-L332 HydrophobicContact CD1-CG 4.18Å; L328-L332 HydrophobicContact CD2-CD1 4.44Å; L328-L332 HydrophobicContact CG-CD1 3.9Å; L328-L332 HydrophobicContact CG-CG 4.28Å; L328-L332 VanDerWaalsContact O-CB 3.32Å; L328-L332 WeakPolarHBondContact O-CB 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.37Å; L332-R336 WeakPolarHBondContact O-CB 3.31Å; L332-R336 WeakPolarHBondContact O-CG 3.12Å; L332-R336 PolarHBondContact O-N 3.27Å
333L48.2Very low47.9Very low67 Ų6765.2 Ų65.235%0.35137%0.37SS..Hα-helixtrans-68.5-44.2175.7-165.571.1000111.5A329 I330 V331 R336 A337 L358 F362A329-L333 WeakPolarHBondContact O-CB 3.48Å; A329-L333 PolarHBondContact O-N 3.26Å; I330-L333 WeakPolarHBondContact O-CB 3.34Å; I330-L333 PolarHBondContact O-N 3.06Å; V331-L333 VanDerWaalsContact C-N 3.28Å; V331-L333 PolarHBondContact O-N 2.81Å; L333-R336 PolarHBondContact O-N 3.18Å; L333-A337 WeakPolarHBondContact O-CB 3.48Å; L333-A337 PolarHBondContact O-N 2.91Å; L333-L358 HydrophobicContact CD1-CD2 3.57Å; L333-L358 HydrophobicContact CD2-CD2 3.45Å; L333-L358 VanDerWaalsContact CD2-CD2 3.45Å; L333-L358 HydrophobicContact CG-CD2 3.25Å; L333-F362 HydrophobicContact CD2-CE2 4.15Å
334G45Very low47.9Very low37 Ų3766.9 Ų66.938%0.38138%0.383SS..Hα-helixtrans-62.1-42.2173.600000112.3I330 V331 R336 A337 L338I330-G334 PolarHBondContact O-N 3.17Å; V331-G334 PolarHBondContact O-N 2.98Å; G334-R336 VanDerWaalsContact C-N 3.3Å; G334-R336 PolarHBondContact O-N 3.15Å; G334-A337 CarbonylContact O-C 3.52Å; G334-A337 PolarHBondContact O-N 2.94Å; G334-L338 WeakPolarHBondContact O-CD1 3.36Å; G334-L338 PolarHBondContact O-N 3.07Å
335L50.1Low47.8Very low40 Ų4066.2 Ų66.221%0.20938%0.383CS..Hα-helixtrans-65-30.8174.4-71.5169.2000112.9N309 I310 V331 L338N309-L335 HydrophobicContact CB-CD2 3.97Å; I310-L335 HydrophobicContact CD1-CD1 4.33Å; I310-L335 HydrophobicContact CG1-CD1 3.43Å; I310-L335 VanDerWaalsContact CG1-CD1 3.43Å; V331-L335 HydrophobicContact CG1-CD1 3.83Å; V331-L335 HydrophobicContact CG1-CG 4.42Å; V331-L335 WeakPolarHBondContact O-CB 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.04Å; V331-L335 PolarHBondContact O-N 3.36Å; L335-L338 HydrophobicContact CD2-CD1 3.94Å
336R44.5Very low47.9Very low103 Ų10362.7 Ų62.739%0.38936%0.361SS..Hα-helixtrans-75.4-29.3173.1-78.3176.9173.7166.4-3.6112.9T288 L332 L333 G334 V348T288-R336 PolarHBondContact O-NH2 3.41Å; L332-R336 WeakPolarHBondContact O-CB 3.31Å; L332-R336 WeakPolarHBondContact O-CG 3.12Å; L332-R336 PolarHBondContact O-N 3.27Å; L333-R336 PolarHBondContact O-N 3.18Å; G334-R336 VanDerWaalsContact C-N 3.3Å; G334-R336 PolarHBondContact O-N 3.15Å; R336-V348 PolarHBondContact O-N 3.22Å; R336-V348 VanDerWaalsContact O-N 3.16Å
337A43Very low47.8Very low31 Ų3161.8 Ų61.826%0.25635%0.348SS..Hα-helixtrans-88-4.7177.100000113.9L333 G334 S339 L346 L358L333-A337 WeakPolarHBondContact O-CB 3.48Å; L333-A337 PolarHBondContact O-N 2.91Å; G334-A337 CarbonylContact O-C 3.52Å; G334-A337 PolarHBondContact O-N 2.94Å; A337-S339 PolarHBondContact O-N 3.3Å; A337-L346 WeakPolarHBondContact O-CD2 3.12Å; A337-L358 HydrophobicContact CB-CD1 4.19Å
338L45.6Very low47.4Very low96 Ų9661.7 Ų61.750%0.50335%0.345SS..  trans-71.9119.8173.9-99140.1000110G334 L335 S347G334-L338 WeakPolarHBondContact O-CD1 3.36Å; G334-L338 PolarHBondContact O-N 3.07Å; L335-L338 HydrophobicContact CD2-CD1 3.94Å; L338-S347 PolarHBondContact O-N 3.35Å; L338-S347 PolarHBondContact O-OG 3.46Å
339S50.1Low47.2Very low30 Ų3063.6 Ų63.621%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-65.2130.5165.558.70000109.2A337 P341 M383A337-S339 PolarHBondContact O-N 3.3Å; S339-P341 WeakPolarHBondContact O-CD 3.41Å; S339-M383 WeakPolarHBondContact OG-CE 3.41Å
340K51.3Low47.1Very low101 Ų10165 Ų6544%0.43935%0.353SS..EExtended strand (participates in β ladder)trans-83.2112.8168.8-70.2-178.3176.2-177.10107.5D342 I343 L344 S345 S347K340-D342 PolarHBondContact O-N 3.47Å; K340-D342 VanDerWaalsContact O-N 3.12Å; K340-I343 HydrophobicContact CB-CB 4.35Å; K340-I343 HydrophobicContact CB-CD1 4.36Å; K340-I343 HydrophobicContact CB-CG1 4.26Å; K340-I343 HydrophobicContact CD-CD1 3.86Å; K340-I343 PolarHBondContact O-N 3.27Å; K340-L344 PolarHBondContact O-N 3.12Å; K340-S345 PolarHBondContact N-O 3.35Å; K340-S345 VanDerWaalsContact N-O 3.14Å; K340-S347 WeakPolarHBondContact CE-OG 3.32Å
341P45.2Very low46.6Very low68 Ų6864 Ų6444%0.44235%0.351SS..THydrogen-bonded Turntrans-57.6-30.3-176.121.7-31.7000112.2S339 I343 P386S339-P341 WeakPolarHBondContact O-CD 3.41Å; P341-I343 PolarHBondContact O-N 3.38Å; P341-P386 HydrophobicContact CB-CG 3.82Å
342D44.7Very low46.1Very low155 Ų15564.5 Ų64.583%0.82936%0.355SS*.THydrogen-bonded Turntrans-71.6-27.2-179.6-51.3-32.9000113.7K340K340-D342 PolarHBondContact O-N 3.47Å; K340-D342 VanDerWaalsContact O-N 3.12Å
343I53.1Low45.5Very low90 Ų9072.2 Ų72.246%0.46238%0.379SS..THydrogen-bonded Turntrans-109.1-7.3-173.3-46177.8000111K340 P341 S345 L350K340-I343 HydrophobicContact CB-CB 4.35Å; K340-I343 HydrophobicContact CB-CD1 4.36Å; K340-I343 HydrophobicContact CB-CG1 4.26Å; K340-I343 HydrophobicContact CD-CD1 3.86Å; K340-I343 PolarHBondContact O-N 3.27Å; P341-I343 PolarHBondContact O-N 3.38Å; I343-S345 WeakPolarHBondContact CG2-OG 3.42Å; I343-S345 PolarHBondContact O-N 3.46Å; I343-L350 HydrophobicContact CD1-CD1 4.17Å; I343-L350 HydrophobicContact CG2-CD1 4.13Å; I343-L350 HydrophobicContact CG2-CD2 4.46Å
344L49.7Very low45Very low141 Ų14175.7 Ų75.774%0.73839%0.393SS*.THydrogen-bonded Turntrans50.625.6-175.1-62.1174.7000113.3K340 H380K340-L344 PolarHBondContact O-N 3.12Å; L344-H380 PolarHBondContact O-CE1 3.03Å; L344-H380 VanDerWaalsContact O-CE1 3.26Å
345S48.6Very low44.5Very low17 Ų1776.2 Ų76.212%0.11939%0.39CS..EExtended strand (participates in β ladder)trans-134151.4-176.872.30000110.6K340 I343 L350K340-S345 PolarHBondContact N-O 3.35Å; K340-S345 VanDerWaalsContact N-O 3.14Å; I343-S345 WeakPolarHBondContact CG2-OG 3.42Å; I343-S345 PolarHBondContact O-N 3.46Å; S345-L350 WeakPolarHBondContact OG-CD1 3.19Å; S345-L350 WeakPolarHBondContact OG-CG 3.44Å
346L51.5Low44Very low10 Ų1077.9 Ų77.95%0.05240%0.402CS..EExtended strand (participates in β ladder)trans-72.4143.7171.3-68.4135.4000109.8A337 V348 E349 L350 T376A337-L346 WeakPolarHBondContact O-CD2 3.12Å; L346-V348 HydrophobicContact CB-CG1 3.95Å; L346-V348 PolarHBondContact O-N 3.32Å; L346-V348 VanDerWaalsContact O-N 3.13Å; L346-E349 HydrophobicContact CB-CB 3.89Å; L346-E349 PolarHBondContact N-OE2 3.24Å; L346-E349 WeakPolarHBondContact O-CB 3.25Å; L346-E349 PolarHBondContact O-N 2.74Å; L346-L350 PolarHBondContact O-N 3Å; L346-L350 VanDerWaalsContact O-N 3.1Å; L346-T376 HydrophobicContact CD1-CG2 4.02Å
347S44.9Very low43.6Very low27 Ų2780 Ų8019%0.18941%0.41CS..THydrogen-bonded Turntrans-57.5-29.1175.3-60.80000111.8L338 K340 V351L338-S347 PolarHBondContact O-N 3.35Å; L338-S347 PolarHBondContact O-OG 3.46Å; K340-S347 WeakPolarHBondContact CE-OG 3.32Å; S347-V351 WeakPolarHBondContact O-CG2 3.5Å
348V38.2Very low43.2Very low17 Ų1782 Ų8210%0.10342%0.416CS..THydrogen-bonded Turntrans-73.1-41.1172.374.20000112.8R336 L346 L350 V351 S352 V356R336-V348 PolarHBondContact O-N 3.22Å; R336-V348 VanDerWaalsContact O-N 3.16Å; L346-V348 HydrophobicContact CB-CG1 3.95Å; L346-V348 PolarHBondContact O-N 3.32Å; L346-V348 VanDerWaalsContact O-N 3.13Å; V348-L350 VanDerWaalsContact C-N 3.32Å; V348-L350 PolarHBondContact O-N 3.45Å; V348-V351 PolarHBondContact O-N 2.92Å; V348-S352 PolarHBondContact O-N 3.01Å; V348-S352 PolarHBondContact O-OG 3.24Å; V348-V356 HydrophobicContact CG1-CB 4.22Å; V348-V356 HydrophobicContact CG2-CB 3.59Å; V348-V356 HydrophobicContact CG2-CG1 4.22Å; V348-V356 HydrophobicContact CG2-CG2 3.47Å; V348-V356 VanDerWaalsContact CG2-CG2 3.47Å
349E45.4Very low42.5Very low57 Ų5782.4 Ų82.427%0.26643%0.427SS..Hα-helixtrans-66.2-33.8-177.4-168176.1-157.700112.5L346 V351 R353L346-E349 HydrophobicContact CB-CB 3.89Å; L346-E349 PolarHBondContact N-OE2 3.24Å; L346-E349 WeakPolarHBondContact O-CB 3.25Å; L346-E349 PolarHBondContact O-N 2.74Å; E349-V351 PolarHBondContact O-N 3.42Å; E349-R353 WeakPolarHBondContact O-CA 3.27Å; E349-R353 PolarHBondContact O-N 2.77Å; E349-R353 VanDerWaalsContact O-N 3.09Å
350L46.7Very low41.7Very low91 Ų9189.1 Ų89.148%0.47646%0.455SS..Hα-helixtrans-60.2-30170.5-91154.3000113.5I343 S345 L346 V348I343-L350 HydrophobicContact CD1-CD1 4.17Å; I343-L350 HydrophobicContact CG2-CD1 4.13Å; I343-L350 HydrophobicContact CG2-CD2 4.46Å; S345-L350 WeakPolarHBondContact OG-CD1 3.19Å; S345-L350 WeakPolarHBondContact OG-CG 3.44Å; L346-L350 PolarHBondContact O-N 3Å; L346-L350 VanDerWaalsContact O-N 3.1Å; V348-L350 VanDerWaalsContact C-N 3.32Å; V348-L350 PolarHBondContact O-N 3.45Å
351V36.3Very low40.9Very low73 Ų7394.2 Ų94.244%0.44247%0.471SS..Hα-helixtrans-101.3-41.2-173.3-173.90000112.1Y289 S347 V348 E349Y289-V351 HydrophobicContact CD2-CG1 3.73Å; Y289-V351 HydrophobicContact CE2-CB 3.91Å; Y289-V351 HydrophobicContact CE2-CG1 3.18Å; S347-V351 WeakPolarHBondContact O-CG2 3.5Å; V348-V351 PolarHBondContact O-N 2.92Å; E349-V351 PolarHBondContact O-N 3.42Å
352S36.7Very low40.4Very low32 Ų3297 Ų9722%0.22448%0.477CS..Hα-helixtrans-87.8-11.1-179.648.50000114.2V348 Q354 V356V348-S352 PolarHBondContact O-N 3.01Å; V348-S352 PolarHBondContact O-OG 3.24Å; S352-Q354 PolarHBondContact O-N 3.1Å; S352-Q354 PolarHBondContact OG-O 3.33Å; S352-V356 WeakPolarHBondContact OG-CG2 2.95Å
353R37.6Very low39.8Very low234 Ų23494 Ų9488%0.88347%0.468SS*.SBendtrans49.517-169.2-66.1-163.3175.4-160.80.4114.1E349E349-R353 WeakPolarHBondContact O-CA 3.27Å; E349-R353 PolarHBondContact O-N 2.77Å; E349-R353 VanDerWaalsContact O-N 3.09Å
354Q37Very low38.9Very low139 Ų13998.5 Ų98.565%0.6549%0.493SS*.SBendtrans-146.4142.3-176.7-70.7-168.6-1800108.2S352 V356S352-Q354 PolarHBondContact O-N 3.1Å; S352-Q354 PolarHBondContact OG-O 3.33Å; Q354-V356 PolarHBondContact O-N 3.41Å
355P34.8Very low38.4Very low48 Ų4896.1 Ų96.131%0.31249%0.488SS..PPolyproline II helixtrans-65.8119174.627-33.7000110.1A372 T376P355-A372 HydrophobicContact CG-CB 3.82Å; P355-T376 WeakPolarHBondContact CB-OG1 3.37Å
356V39Very low37.9Very low76 Ų76101.5 Ų101.546%0.46152%0.516SS..PPolyproline II helixtrans-93.5121.8178.4175.30000109.1V348 S352 Q354V348-V356 HydrophobicContact CG1-CB 4.22Å; V348-V356 HydrophobicContact CG2-CB 3.59Å; V348-V356 HydrophobicContact CG2-CG1 4.22Å; V348-V356 HydrophobicContact CG2-CG2 3.47Å; V348-V356 VanDerWaalsContact CG2-CG2 3.47Å; S352-V356 WeakPolarHBondContact OG-CG2 2.95Å; Q354-V356 PolarHBondContact O-N 3.41Å
357R37.4Very low37.2Very low147 Ų147105.4 Ų105.456%0.55554%0.542SS*.PPolyproline II helixtrans-74.3132.3171.6-69.3-175.6175167.8-3.2109.8S359 L370R357-S359 PolarHBondContact O-N 2.96Å; R357-L370 PolarHBondContact NH2-O 3.18Å
358L34.3Very low37.1Very low73 Ų73110.6 Ų110.638%0.38257%0.568SS.*PPolyproline II helixtrans-64.6129.3164.1-70.7166.1000107.8L333 A337 E360L333-L358 HydrophobicContact CD1-CD2 3.57Å; L333-L358 HydrophobicContact CD2-CD2 3.45Å; L333-L358 VanDerWaalsContact CD2-CD2 3.45Å; L333-L358 HydrophobicContact CG-CD2 3.25Å; A337-L358 HydrophobicContact CB-CD1 4.19Å; L358-E360 PolarHBondContact O-N 3.06Å
359S29.6Very low37.7Very low105 Ų105115.6 Ų115.673%0.73460%0.598SS**PPolyproline II helixtrans-49.9138.3171.3-84.90000110.2R357 R361R357-S359 PolarHBondContact O-N 2.96Å; S359-R361 PolarHBondContact O-N 2.73Å
360E33.3Very low38.2Very low171 Ų171116.5 Ų116.580%0.79960%0.604SS**SBendtrans-59.128.5-165.6-60.6174.1156.100117L358L358-E360 PolarHBondContact O-N 3.06Å
361R34.7Very low38.5Very low207 Ų207115.6 Ų115.678%0.78160%0.604SS**SBendtrans-956.2-179.1-100.8-176.1175.1173.1-1.3115S359S359-R361 PolarHBondContact O-N 2.73Å
362F35.9Very low39.1Very low126 Ų126113.8 Ų113.855%0.55360%0.597SS**SBendtrans-129.29.1-171.5-67-74.5000115.7I330 L333I330-F362 HydrophobicContact CG1-CZ 4.43Å; L333-F362 HydrophobicContact CD2-CE2 4.15Å
363S31.7Very low40Very low93 Ų93116.1 Ų116.165%0.6561%0.613SS**  trans-145.4116.6175.3-650000111.7S365S363-S365 PolarHBondContact O-N 3.22Å
364D34.3Very low41.1Very low184 Ų184109.4 Ų109.498%0.98459%0.592SS**  trans-7424.2176.7-74.9-34.7000113.7
365S38.9Very low41.9Very low91 Ų91106 Ų10664%0.63658%0.575SS**SBendtrans-131.5102-171.246.90000111.7S363S363-S365 PolarHBondContact O-N 3.22Å
366N38.5Very low42.6Very low130 Ų130104.3 Ų104.370%0.69556%0.564SS**  trans22.6112.6161.1-158.7-1.6000118N368N366-N368 PolarHBondContact O-N 3.4Å
367P37.2Very low43.7Very low93 Ų93106.1 Ų106.160%0.60457%0.567SS**SBendtrans-84.618.5-165.218.9-8000117.6
368N41.3Very low44.9Very low136 Ų136103.8 Ų103.873%0.72756%0.562SS**  trans-115.612.2-156.5-85.7-15.5000120N366N366-N368 PolarHBondContact O-N 3.4Å
369T50.5Low45.7Very low121 Ų121102.7 Ų102.774%0.74256%0.556SS**SBendtrans-131.1-12.8-166.628.10000120.5
370L56Low47.1Very low76 Ų76100.9 Ų100.940%0.39854%0.536SS..  trans-117.5122.2-176.4-60.9172.8000112.6R357 E374R357-L370 PolarHBondContact NH2-O 3.18Å; L370-E374 HydrophobicContact CB-CB 4.11Å; L370-E374 HydrophobicContact CD2-CB 4.06Å; L370-E374 WeakPolarHBondContact CD2-OE2 3.34Å
371P53.9Low48.5Very low72 Ų72102.3 Ų102.347%0.46853%0.534SS..  trans-50.6151.6163.8-21.632.1000111S373 E374 F375P371-S373 PolarHBondContact O-N 2.76Å; P371-E374 VanDerWaalsContact CD-OE2 3.23Å; P371-E374 WeakPolarHBondContact CD-OE2 3.4Å; P371-E374 PolarHBondContact O-N 3.29Å; P371-F375 PolarHBondContact O-N 3.03Å; P371-F375 VanDerWaalsContact O-N 3.14Å
372A47.9Very low49.5Very low35 Ų3596.5 Ų96.529%0.28952%0.522SS..Hα-helixtrans-57.5-27.2-176.100000113.7P355 T376P355-A372 HydrophobicContact CG-CB 3.82Å; A372-T376 PolarHBondContact O-N 2.94Å; A372-T376 PolarHBondContact O-OG1 3.42Å
373S56.4Low49.6Very low82 Ų8292.8 Ų92.857%0.57351%0.507SS*.Hα-helixtrans-64.3-47.717151.50000112.8P371 F375 T376 E377P371-S373 PolarHBondContact O-N 2.76Å; S373-F375 PolarHBondContact O-N 3.5Å; S373-T376 WeakPolarHBondContact O-CB 3.48Å; S373-T376 PolarHBondContact O-N 2.73Å; S373-E377 PolarHBondContact O-N 3.14Å
374E61.2Low49.9Very low93 Ų9394.2 Ų94.244%0.43551%0.514SS..Hα-helixtrans-70.1-32.3-179.3-73.8-172.1158.800112.6L370 P371 T376 E377 H378L370-E374 HydrophobicContact CB-CB 4.11Å; L370-E374 HydrophobicContact CD2-CB 4.06Å; L370-E374 WeakPolarHBondContact CD2-OE2 3.34Å; P371-E374 VanDerWaalsContact CD-OE2 3.23Å; P371-E374 WeakPolarHBondContact CD-OE2 3.4Å; P371-E374 PolarHBondContact O-N 3.29Å; E374-T376 VanDerWaalsContact C-N 3.27Å; E374-T376 PolarHBondContact O-N 2.87Å; E374-E377 PolarHBondContact O-N 3.22Å; E374-H378 WeakPolarHBondContact O-CB 3.49Å; E374-H378 PolarHBondContact O-N 2.93Å
375F52.9Low50.3Low67 Ų6794.1 Ų94.129%0.29451%0.505SS..Hα-helixtrans-62.1-38.2173.3179.9-102.7000111.8P371 S373 H378 L379P371-F375 PolarHBondContact O-N 3.03Å; P371-F375 VanDerWaalsContact O-N 3.14Å; S373-F375 PolarHBondContact O-N 3.5Å; F375-H378 PolarHBondContact O-N 3.26Å; F375-L379 HydrophobicContact CD1-CD1 3.98Å; F375-L379 HydrophobicContact CE1-CD1 3.38Å; F375-L379 HydrophobicContact CE1-CG 4.08Å; F375-L379 HydrophobicContact CZ-CD1 3.77Å; F375-L379 HydrophobicContact CZ-CD2 4.43Å; F375-L379 HydrophobicContact CZ-CG 4.11Å; F375-L379 PolarHBondContact O-N 2.99Å
376T50.5Low50Low12 Ų1297.9 Ų97.97%0.07453%0.527CS..Hα-helixtrans-67.1-46.3178.3-50.80000110.3L346 P355 A372 S373 E374 H378 L379 H380L346-T376 HydrophobicContact CD1-CG2 4.02Å; P355-T376 WeakPolarHBondContact CB-OG1 3.37Å; A372-T376 PolarHBondContact O-N 2.94Å; A372-T376 PolarHBondContact O-OG1 3.42Å; S373-T376 WeakPolarHBondContact O-CB 3.48Å; S373-T376 PolarHBondContact O-N 2.73Å; E374-T376 VanDerWaalsContact C-N 3.27Å; E374-T376 PolarHBondContact O-N 2.87Å; T376-H378 VanDerWaalsContact C-N 3.32Å; T376-H378 PolarHBondContact O-N 3.12Å; T376-L379 PolarHBondContact O-N 2.94Å; T376-H380 PolarHBondContact O-CD2 3.05Å; T376-H380 PolarHBondContact O-N 2.84Å
377E61.7Low50.6Low115 Ų11596.3 Ų96.354%0.53752%0.519SS..Hα-helixtrans-60.6-39.2172.9-73.9-164.7171.300113S373 E374 H380 R381S373-E377 PolarHBondContact O-N 3.14Å; E374-E377 PolarHBondContact O-N 3.22Å; E377-H380 PolarHBondContact O-N 3.01Å; E377-R381 WeakPolarHBondContact O-CG 3.49Å; E377-R381 PolarHBondContact O-N 3.11Å
378H62.8Low51.3Low97 Ų9796.5 Ų96.545%0.44951%0.514SS..Hα-helixtrans-62.2-44.6177.1-174.877.9000111.5E374 F375 T376 R381 T382E374-H378 WeakPolarHBondContact O-CB 3.49Å; E374-H378 PolarHBondContact O-N 2.93Å; F375-H378 PolarHBondContact O-N 3.26Å; T376-H378 VanDerWaalsContact C-N 3.32Å; T376-H378 PolarHBondContact O-N 3.12Å; H378-R381 PolarHBondContact O-N 3.47Å; H378-T382 PolarHBondContact O-N 3.43Å; H378-T382 PolarHBondContact O-OG1 3.49Å
379L50.7Low51.9Low50 Ų5094.3 Ų94.326%0.26250%0.503SS..Hα-helixtrans-61.7-44.6174.1-76.9178.3000111.9F375 T376 R381 T382 M383F375-L379 HydrophobicContact CD1-CD1 3.98Å; F375-L379 HydrophobicContact CE1-CD1 3.38Å; F375-L379 HydrophobicContact CE1-CG 4.08Å; F375-L379 HydrophobicContact CZ-CD1 3.77Å; F375-L379 HydrophobicContact CZ-CD2 4.43Å; F375-L379 HydrophobicContact CZ-CG 4.11Å; F375-L379 PolarHBondContact O-N 2.99Å; T376-L379 PolarHBondContact O-N 2.94Å; L379-R381 PolarHBondContact O-N 3.38Å; L379-T382 WeakPolarHBondContact CA-OG1 3.33Å; L379-T382 PolarHBondContact O-N 3.08Å; L379-T382 PolarHBondContact O-OG1 3.18Å; L379-M383 HydrophobicContact CB-CE 4.26Å; L379-M383 WeakPolarHBondContact O-CE 3.28Å; L379-M383 WeakPolarHBondContact O-CG 3.21Å; L379-M383 PolarHBondContact O-N 3.3Å
380H59.4Low52Low67 Ų6792.7 Ų92.731%0.3149%0.488SS..Hα-helixtrans-61.2-29.5175.5-80-70.8000113.4L344 T376 E377L344-H380 PolarHBondContact O-CE1 3.03Å; L344-H380 VanDerWaalsContact O-CE1 3.26Å; T376-H380 PolarHBondContact O-CD2 3.05Å; T376-H380 PolarHBondContact O-N 2.84Å; E377-H380 PolarHBondContact O-N 3.01Å
381R62.1Low51.7Low202 Ų20293.8 Ų93.876%0.76249%0.494SS*.Hα-helixtrans-81.7-32.9176.7-80.7-179.1165.9143.6-0.8113.9E377 H378 L379E377-R381 WeakPolarHBondContact O-CG 3.49Å; E377-R381 PolarHBondContact O-N 3.11Å; H378-R381 PolarHBondContact O-N 3.47Å; L379-R381 PolarHBondContact O-N 3.38Å
382T56.7Low51.6Low85 Ų8595.2 Ų95.252%0.52150%0.496SS..Hα-helixtrans-88.8-23.8-175.936.20000113.4H378 L379H378-T382 PolarHBondContact O-N 3.43Å; H378-T382 PolarHBondContact O-OG1 3.49Å; L379-T382 WeakPolarHBondContact CA-OG1 3.33Å; L379-T382 PolarHBondContact O-N 3.08Å; L379-T382 PolarHBondContact O-OG1 3.18Å
383M38.1Very low51.8Low47 Ų4799.5 Ų99.523%0.23251%0.511CS..SBendtrans-72134.3174.8-73.2-172.3-70.200111.1S339 L379 K385S339-M383 WeakPolarHBondContact OG-CE 3.41Å; L379-M383 HydrophobicContact CB-CE 4.26Å; L379-M383 WeakPolarHBondContact O-CE 3.28Å; L379-M383 WeakPolarHBondContact O-CG 3.21Å; L379-M383 PolarHBondContact O-N 3.3Å; M383-K385 PolarHBondContact O-N 3.13Å
384P36.3Very low51.5Low123 Ų123100.8 Ų100.880%0.79951%0.506SS*.PPolyproline II helixtrans-61.2124.717623-30000109.6
385K43.8Very low50.7Low182 Ų182101.5 Ų101.579%0.79151%0.512SS*.PPolyproline II helixtrans-65.3143.3166.6-67.2-178.4-179.1179.80108.4M383M383-K385 PolarHBondContact O-N 3.13Å
386P33.2Very low50.5Low171 Ų171104.6 Ų104.6100%1.1153%0.532SS*.  trans-57.30177.727.1-36.5000112.8P341P341-P386 HydrophobicContact CB-CG 3.82Å

Retrieved 386 of 386 residues in 74.6 ms (Link to these results)