X5M5P7_CAEEL Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession X5M5P7, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 230 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
1M61.5Low83.9Confident241 Ų241105.1 Ų105.1100%1.18756%0.561SS**  0132.40-71.6177.8176.200106.8
2V79.5Confident84.3Confident146 Ų146101.7 Ų101.789%0.88555%0.547SS*.  trans-93.7121.9-178.6-179.90000108.7
3C82.7Confident84.6Confident64 Ų6496.2 Ų96.243%0.43253%0.53SS..  trans-68.3137.3175.9-60.10000110.1E14C3-E14 WeakPolarHBondContact CB-O 3.5Å; C3-E14 PolarHBondContact SG-O 3.22Å; C3-E14 VanDerWaalsContact SG-O 3.4Å
4K88.4Confident84.8Confident208 Ų20899.9 Ų99.990%0.90454%0.541SS*.  trans-92.9114.4169.7-78.8-175.5176.2177.60109
5C90.2Very high84.9Confident24 Ų24102.4 Ų102.416%0.16255%0.548CS..  trans-79145.5177.2-59.30000112N7 I11 C16C5-N7 PolarHBondContact O-N 3.41Å; C5-I11 HydrophobicContact CB-CB 4.5Å; C5-I11 HydrophobicContact CB-CG2 4.23Å; C5-C16 WeakPolarHBondContact CA-SG 3.28Å; C5-C16 HydrophobicContact CB-CB 3.81Å; C5-C16 WeakPolarHBondContact CB-SG 3.36Å; C5-C16 WeakPolarHBondContact SG-CA 3.48Å; C5-C16 WeakPolarHBondContact SG-CB 3.13Å; C5-C16 CovalentContact SG-SG 2.03Å; C5-C16 PolarHBondContact SG-SG 3.22Å
6P84.6Confident85.1Confident84 Ų8498.1 Ų98.155%0.54553%0.528SS..SBendtrans-65.4131167.527.4-30.9000108.7I11P6-I11 HydrophobicContact CG-CD1 4.2Å; P6-I11 WeakPolarHBondContact O-CB 2.98Å; P6-I11 WeakPolarHBondContact O-CD1 3.02Å
7N85.6Confident85.3Confident94 Ų9498.2 Ų98.250%0.50352%0.524SS..SBendtrans53.573.1-177.4-56.9-47.7000113.3C5 E9 F10 I11 F50C5-N7 PolarHBondContact O-N 3.41Å; N7-E9 PolarHBondContact O-N 3.21Å; N7-F10 HydrophobicContact CB-CD2 4.34Å; N7-F10 PolarHBondContact O-N 3.07Å; N7-I11 PolarHBondContact O-N 3.42Å; N7-F50 HydrophobicContact CB-CE2 4.45Å
8P86.2Confident85.5Confident99 Ų9999.8 Ų99.864%0.64353%0.525SS*.THydrogen-bonded Turntrans-63.2-15-173.927.7-36.5000114.1I11 T12P8-I11 WeakPolarHBondContact CA-O 3.08Å; P8-T12 WeakPolarHBondContact O-CG2 3.5Å
9E86.3Confident85.8Confident157 Ų15796.3 Ų96.373%0.73451%0.507SS*.THydrogen-bonded Turntrans-73.4-27.5175.6-60.9-172.2171.900112.8N7N7-E9 PolarHBondContact O-N 3.21Å
10F87.6Confident86Confident26 Ų2698.9 Ų98.911%0.11451%0.514CS..THydrogen-bonded Turntrans-118.7-25-174.6-55.3-67.4000113.1N7 I19 K20 A22 F50 E52N7-F10 HydrophobicContact CB-CD2 4.34Å; N7-F10 PolarHBondContact O-N 3.07Å; F10-I19 CarbonylContact O-C 3.6Å; F10-K20 PolarHBondContact O-N 3.02Å; F10-A22 HydrophobicContact CD1-CB 4.43Å; F10-A22 HydrophobicContact CE1-CB 3.72Å; F10-F50 HydrophobicContact CB-CD1 3.46Å; F10-F50 VanDerWaalsContact CB-CD1 3.46Å; F10-F50 HydrophobicContact CB-CD2 4.42Å; F10-F50 HydrophobicContact CB-CE1 3.58Å; F10-F50 HydrophobicContact CB-CG 3.9Å; F10-F50 HydrophobicContact CB-CZ 4.14Å; F10-F50 HydrophobicContact CD1-CB 4.07Å; F10-F50 HydrophobicContact CD1-CD1 4.44Å; F10-F50 HydrophobicContact CD1-CG 4.35Å; F10-F50 HydrophobicContact CD2-CB 4.22Å; F10-F50 HydrophobicContact CD2-CD1 4.42Å; F10-F50 HydrophobicContact CD2-CD2 4.02Å; F10-F50 HydrophobicContact CD2-CE2 4.49Å; F10-F50 AromaticContact CD2-CG 3.98Å; F10-F50 HydrophobicContact CD2-CG 3.98Å; F10-F50 HydrophobicContact CE1-CB 4.4Å; F10-F50 HydrophobicContact CG-CB 3.99Å; F10-F50 AromaticContact CG-CD1 3.87Å; F10-F50 HydrophobicContact CG-CD1 3.87Å; F10-F50 HydrophobicContact CG-CD2 4.28Å; F10-F50 HydrophobicContact CG-CE1 4.38Å; F10-F50 AromaticContact CG-CG 3.79Å; F10-F50 HydrophobicContact CG-CG 3.79Å; F10-E52 WeakPolarHBondContact CE2-OE2 3.18Å; F10-E52 HydrophobicContact CZ-CB 3.95Å; F10-E52 WeakPolarHBondContact CZ-OE2 3.26Å
11I90.4Very high86.2Confident13 Ų1394.9 Ų94.97%0.06749%0.494CS..EExtended strand (participates in β ladder)trans-118119.2177.6-55176.8000108.4C5 P6 N7 P8 C16 K18 I19 W36 F50C5-I11 HydrophobicContact CB-CB 4.5Å; C5-I11 HydrophobicContact CB-CG2 4.23Å; P6-I11 HydrophobicContact CG-CD1 4.2Å; P6-I11 WeakPolarHBondContact O-CB 2.98Å; P6-I11 WeakPolarHBondContact O-CD1 3.02Å; N7-I11 PolarHBondContact O-N 3.42Å; P8-I11 WeakPolarHBondContact CA-O 3.08Å; I11-C16 HydrophobicContact CG2-CB 3.66Å; I11-C16 VanDerWaalsContact CG2-O 3.31Å; I11-C16 WeakPolarHBondContact CG2-O 3.27Å; I11-K18 WeakPolarHBondContact CA-O 3.43Å; I11-I19 HydrophobicContact CG1-CG1 4.45Å; I11-W36 HydrophobicContact CD1-CH2 3.88Å; I11-W36 HydrophobicContact CD1-CZ2 3.71Å; I11-W36 HydrophobicContact CG1-CH2 4.35Å; I11-W36 HydrophobicContact CG1-CZ2 4.37Å; I11-F50 HydrophobicContact CD1-CE1 4.34Å; I11-F50 HydrophobicContact CD1-CZ 3.96Å; I11-F50 HydrophobicContact CG1-CE1 4.08Å; I11-F50 HydrophobicContact CG1-CZ 4.11Å
12T88.8Confident87.4Confident64 Ų6484.2 Ų84.239%0.39344%0.444SS..EExtended strand (participates in β ladder)trans-132.4171.3-175.559.30000110.3P8 C16 E17 K18P8-T12 WeakPolarHBondContact O-CG2 3.5Å; T12-C16 CarbonylContact O-C 3.42Å; T12-C16 WeakPolarHBondContact O-CA 3.38Å; T12-E17 PolarHBondContact O-N 3.49Å; T12-K18 PolarHBondContact N-O 3.26Å; T12-K18 WeakPolarHBondContact O-CA 3.29Å; T12-K18 VanDerWaalsContact O-CB 3.31Å; T12-K18 WeakPolarHBondContact O-CB 3.36Å; T12-K18 PolarHBondContact O-N 3.47Å; T12-K18 WeakPolarHBondContact OG1-CB 3.49Å; T12-K18 PolarHBondContact OG1-O 3.16Å
13G88.1Confident87.6Confident31 Ų3180.8 Ų80.832%0.3242%0.421SS..SBendtrans119.7168.5-177.800000112.3H15 E17G13-H15 VanDerWaalsContact C-N 3.25Å; G13-E17 WeakPolarHBondContact CA-OE1 3.38Å
14E86.8Confident87.6Confident148 Ų14885.8 Ų85.869%0.69244%0.438SS*.SBendtrans-71.4-29.2177.2-169.8171.4178.100111.1C3 E17C3-E14 WeakPolarHBondContact CB-O 3.5Å; C3-E14 PolarHBondContact SG-O 3.22Å; C3-E14 VanDerWaalsContact SG-O 3.4Å; E14-E17 PolarHBondContact N-OE2 3.01Å
15H86.8Confident87.4Confident137 Ų13776.6 Ų76.663%0.63440%0.402SS*.SBendtrans-123.921.7178.4-59-61.8000112.4G13 E17G13-H15 VanDerWaalsContact C-N 3.25Å; H15-E17 VanDerWaalsContact CA-OE2 3.29Å; H15-E17 WeakPolarHBondContact CA-OE2 3.31Å; H15-E17 PolarHBondContact N-OE2 3.38Å; H15-E17 PolarHBondContact O-N 2.76Å
16C88.6Confident87.3Confident34 Ų3478.3 Ų78.323%0.2341%0.412CS..SBendtrans62.129.6179.4-46.40000113.7C5 I11 T12C5-C16 WeakPolarHBondContact CA-SG 3.28Å; C5-C16 HydrophobicContact CB-CB 3.81Å; C5-C16 WeakPolarHBondContact CB-SG 3.36Å; C5-C16 WeakPolarHBondContact SG-CA 3.48Å; C5-C16 WeakPolarHBondContact SG-CB 3.13Å; C5-C16 CovalentContact SG-SG 2.03Å; C5-C16 PolarHBondContact SG-SG 3.22Å; I11-C16 HydrophobicContact CG2-CB 3.66Å; I11-C16 VanDerWaalsContact CG2-O 3.31Å; I11-C16 WeakPolarHBondContact CG2-O 3.27Å; T12-C16 CarbonylContact O-C 3.42Å; T12-C16 WeakPolarHBondContact O-CA 3.38Å
17E89Confident87.5Confident99 Ų9977.6 Ų77.646%0.46340%0.403SS..  trans-82.6-15.8-175.371.4-72.8166.700113.9T12 G13 E14 H15T12-E17 PolarHBondContact O-N 3.49Å; G13-E17 WeakPolarHBondContact CA-OE1 3.38Å; E14-E17 PolarHBondContact N-OE2 3.01Å; H15-E17 VanDerWaalsContact CA-OE2 3.29Å; H15-E17 WeakPolarHBondContact CA-OE2 3.31Å; H15-E17 PolarHBondContact N-OE2 3.38Å; H15-E17 PolarHBondContact O-N 2.76Å
18K88.3Confident87.7Confident127 Ų12779.6 Ų79.655%0.55240%0.403SS*.EExtended strand (participates in β ladder)trans-101.4105.7-176.5-58.7177.8-174.8172.40110.2I11 T12I11-K18 WeakPolarHBondContact CA-O 3.43Å; T12-K18 PolarHBondContact N-O 3.26Å; T12-K18 WeakPolarHBondContact O-CA 3.29Å; T12-K18 VanDerWaalsContact O-CB 3.31Å; T12-K18 WeakPolarHBondContact O-CB 3.36Å; T12-K18 PolarHBondContact O-N 3.47Å; T12-K18 WeakPolarHBondContact OG1-CB 3.49Å; T12-K18 PolarHBondContact OG1-O 3.16Å
19I90.3Very high87.8Confident34 Ų3479.4 Ų79.417%0.17440%0.4CS..EExtended strand (participates in β ladder)trans-96.2135.1174-55.8111.6000110.2F10 I11 L27 W36 F50F10-I19 CarbonylContact O-C 3.6Å; I11-I19 HydrophobicContact CG1-CG1 4.45Å; I19-L27 HydrophobicContact CB-CD1 4.01Å; I19-L27 HydrophobicContact CB-CD2 4.4Å; I19-L27 HydrophobicContact CG2-CD1 3.73Å; I19-W36 HydrophobicContact CB-CD2 4.31Å; I19-W36 HydrophobicContact CB-CE3 4.33Å; I19-W36 HydrophobicContact CD1-CB 4.31Å; I19-W36 HydrophobicContact CD1-CD2 3.66Å; I19-W36 HydrophobicContact CD1-CE3 4.49Å; I19-W36 HydrophobicContact CD1-CG 3.52Å; I19-W36 HydrophobicContact CD1-CZ2 4.37Å; I19-W36 HydrophobicContact CG1-CD2 3.71Å; I19-W36 HydrophobicContact CG1-CE3 4.16Å; I19-W36 HydrophobicContact CG1-CG 4.14Å; I19-W36 HydrophobicContact CG1-CH2 4.25Å; I19-W36 HydrophobicContact CG1-CZ2 3.81Å; I19-W36 HydrophobicContact CG1-CZ3 4.41Å; I19-W36 HydrophobicContact CG2-CD2 4.03Å; I19-W36 HydrophobicContact CG2-CE3 3.57Å; I19-W36 HydrophobicContact CG2-CH2 3.92Å; I19-W36 HydrophobicContact CG2-CZ2 4.33Å; I19-W36 HydrophobicContact CG2-CZ3 3.5Å; I19-F50 HydrophobicContact CG2-CE1 4.31Å
20K90Very high87.7Confident148 Ų14876.2 Ų76.264%0.64338%0.384SS*.  trans-124.5129.9174.1-174.1179.7178.5-1760109.7F10F10-K20 PolarHBondContact O-N 3.02Å
21C90.3Very high87.2Confident14 Ų1481 Ų8110%0.09542%0.418CS..  trans-86.9143.9172.7-54.40000110.4G25 C38C21-G25 VanDerWaalsContact CB-O 3.29Å; C21-G25 WeakPolarHBondContact CB-O 3.41Å; C21-C38 WeakPolarHBondContact CA-SG 3.11Å; C21-C38 HydrophobicContact CB-CB 3.73Å; C21-C38 WeakPolarHBondContact CB-SG 3.47Å; C21-C38 VanDerWaalsContact SG-CA 3.51Å; C21-C38 WeakPolarHBondContact SG-CB 3.45Å; C21-C38 CovalentContact SG-SG 2.03Å; C21-C38 PolarHBondContact SG-SG 3.08Å
22A87.9Confident86.7Confident18 Ų1884.8 Ų84.815%0.14945%0.451CS..SBendtrans-75.8164.7173.400000111.1F10 Q24 G25 F50 E52F10-A22 HydrophobicContact CD1-CB 4.43Å; F10-A22 HydrophobicContact CE1-CB 3.72Å; A22-Q24 PolarHBondContact O-N 2.83Å; A22-G25 PolarHBondContact O-N 3.45Å; A22-F50 WeakPolarHBondContact CA-O 3.44Å; A22-F50 WeakPolarHBondContact CB-O 3.31Å; A22-F50 PolarHBondContact N-O 3.21Å; A22-E52 HydrophobicContact CB-CB 4.32Å
23N83.6Confident86.4Confident73 Ų7387.1 Ų87.139%0.3946%0.461SS..THydrogen-bonded Turntrans49.339.9168.4-59.7-48.7000115G25 T43 F46 C51N23-G25 PolarHBondContact O-N 3.5Å; N23-T43 WeakPolarHBondContact O-CG2 3.43Å; N23-F46 HydrophobicContact CB-CD1 4.13Å; N23-F46 HydrophobicContact CB-CE1 4.21Å; N23-F46 HydrophobicContact CB-CG 4.26Å; N23-F46 HydrophobicContact CB-CZ 4.44Å; N23-F46 WeakPolarHBondContact ND2-CD1 3.49Å; N23-F46 WeakPolarHBondContact ND2-CE1 2.98Å; N23-C51 PolarHBondContact ND2-O 3.31Å
24Q82.3Confident86Confident170 Ų17091 Ų9179%0.79448%0.483SS*.THydrogen-bonded Turntrans63.421.1-179.2-53.1177.2-6.100114.6A22A22-Q24 PolarHBondContact O-N 2.83Å
25G84.1Confident86Confident15 Ų1587.3 Ų87.316%0.15547%0.471CS..  trans-57.6142.817200000112.1C21 A22 N23C21-G25 VanDerWaalsContact CB-O 3.29Å; C21-G25 WeakPolarHBondContact CB-O 3.41Å; A22-G25 PolarHBondContact O-N 3.45Å; N23-G25 PolarHBondContact O-N 3.5Å
26V87.8Confident86.1Confident59 Ų5985 Ų8536%0.35846%0.457SS..EExtended strand (participates in β ladder)trans-88.6122.4-179.4-179.80000109.1R28 D39V26-R28 PolarHBondContact O-N 2.89Å; V26-D39 HydrophobicContact CB-CB 4.42Å; V26-D39 PolarHBondContact N-O 2.87Å; V26-D39 WeakPolarHBondContact O-CB 3.35Å; V26-D39 PolarHBondContact O-N 3.22Å
27L89.1Confident86.1Confident69 Ų6988.9 Ų88.936%0.36147%0.472SS..EExtended strand (participates in β ladder)trans-72.4114.3174.6-174.871.8000109.5I19 V29 W36I19-L27 HydrophobicContact CB-CD1 4.01Å; I19-L27 HydrophobicContact CB-CD2 4.4Å; I19-L27 HydrophobicContact CG2-CD1 3.73Å; L27-V29 HydrophobicContact CD2-CG2 4.22Å; L27-V29 HydrophobicContact CG-CG2 4.27Å; L27-W36 HydrophobicContact CD1-CB 4.24Å; L27-W36 HydrophobicContact CD1-CE3 4.21Å
28R89.1Confident86.2Confident136 Ų13684.5 Ų84.551%0.51345%0.452SS..EExtended strand (participates in β ladder)trans-99.9118.1170.9-67.9-166.8-176.7-142.84.8109.5V26 F30 W36 Q37 D39V26-R28 PolarHBondContact O-N 2.89Å; R28-F30 HydrophobicContact CB-CE2 4.39Å; R28-W36 CarbonylContact O-C 3.39Å; R28-W36 WeakPolarHBondContact O-CA 3.02Å; R28-Q37 PolarHBondContact N-O 2.9Å; R28-Q37 PolarHBondContact O-N 3.47Å; R28-D39 HydrophobicContact CG-CB 4Å; R28-D39 IonicContact CZ-OD2 3.1Å; R28-D39 IonicContact NE-OD2 2.78Å; R28-D39 PolarHBondContact NE-OD2 2.93Å; R28-D39 IonicContact NH2-OD2 2.72Å; R28-D39 PolarHBondContact NH2-OD2 2.95Å
29V87.9Confident86.2Confident95 Ų9580.1 Ų80.158%0.57643%0.434SS*.EExtended strand (participates in β ladder)trans-99.3124172.6-175.90000107.6L27 P31 W36L27-V29 HydrophobicContact CD2-CG2 4.22Å; L27-V29 HydrophobicContact CG-CG2 4.27Å; V29-P31 VanDerWaalsContact O-CD 3.25Å; V29-P31 WeakPolarHBondContact O-CD 3.4Å; V29-W36 HydrophobicContact CG2-CB 4.48Å
30F85.3Confident86Confident90 Ų9079.3 Ų79.340%0.39543%0.432SS..EExtended strand (participates in β ladder)trans-92.6105.9176.8-65.6-83.2000109R28 A32 N33 S34 T35 Q37R28-F30 HydrophobicContact CB-CE2 4.39Å; F30-A32 PolarHBondContact O-N 2.97Å; F30-A32 VanDerWaalsContact O-N 3.14Å; F30-N33 PolarHBondContact O-N 2.88Å; F30-S34 PolarHBondContact O-N 2.94Å; F30-T35 PolarHBondContact N-O 2.93Å; F30-Q37 HydrophobicContact CE2-CB 4.1Å
31P76.8Confident85.5Confident128 Ų12875.9 Ų75.983%0.83143%0.426SS*.THydrogen-bonded Turntrans-65.3-20.4-174.324.8-33.3000113.1V29V29-P31 VanDerWaalsContact O-CD 3.25Å; V29-P31 WeakPolarHBondContact O-CD 3.4Å
32A80.8Confident84.5Confident91 Ų9182.1 Ų82.175%0.75245%0.454SS*.THydrogen-bonded Turntrans-70.7-33179.900000113.8F30F30-A32 PolarHBondContact O-N 2.97Å; F30-A32 VanDerWaalsContact O-N 3.14Å
33N80.8Confident83.5Confident113 Ų11382.4 Ų82.460%0.60445%0.454SS*.THydrogen-bonded Turntrans-123.34-169.9-67.9-19.6000113.5F30 T35F30-N33 PolarHBondContact O-N 2.88Å; N33-T35 HydrophobicContact CB-CG2 3.99Å; N33-T35 PolarHBondContact O-N 3.02Å
34S81.1Confident82.8Confident113 Ų11387.7 Ų87.779%0.7947%0.473SS*.THydrogen-bonded Turntrans53.815.4-169.767.20000114.4F30F30-S34 PolarHBondContact O-N 2.94Å
35T86.3Confident82.1Confident70 Ų7085.7 Ų85.743%0.42946%0.463SS..EExtended strand (participates in β ladder)trans-89.6143178.553.80000110.2F30 N33F30-T35 PolarHBondContact N-O 2.93Å; N33-T35 HydrophobicContact CB-CG2 3.99Å; N33-T35 PolarHBondContact O-N 3.02Å
36W88.2Confident81.8Confident90 Ų9087.2 Ų87.234%0.34147%0.465SS..EExtended strand (participates in β ladder)trans-116.6152.6174.256-94.2000109.9I11 I19 L27 R28 V29 F50I11-W36 HydrophobicContact CD1-CH2 3.88Å; I11-W36 HydrophobicContact CD1-CZ2 3.71Å; I11-W36 HydrophobicContact CG1-CH2 4.35Å; I11-W36 HydrophobicContact CG1-CZ2 4.37Å; I19-W36 HydrophobicContact CB-CD2 4.31Å; I19-W36 HydrophobicContact CB-CE3 4.33Å; I19-W36 HydrophobicContact CD1-CB 4.31Å; I19-W36 HydrophobicContact CD1-CD2 3.66Å; I19-W36 HydrophobicContact CD1-CE3 4.49Å; I19-W36 HydrophobicContact CD1-CG 3.52Å; I19-W36 HydrophobicContact CD1-CZ2 4.37Å; I19-W36 HydrophobicContact CG1-CD2 3.71Å; I19-W36 HydrophobicContact CG1-CE3 4.16Å; I19-W36 HydrophobicContact CG1-CG 4.14Å; I19-W36 HydrophobicContact CG1-CH2 4.25Å; I19-W36 HydrophobicContact CG1-CZ2 3.81Å; I19-W36 HydrophobicContact CG1-CZ3 4.41Å; I19-W36 HydrophobicContact CG2-CD2 4.03Å; I19-W36 HydrophobicContact CG2-CE3 3.57Å; I19-W36 HydrophobicContact CG2-CH2 3.92Å; I19-W36 HydrophobicContact CG2-CZ2 4.33Å; I19-W36 HydrophobicContact CG2-CZ3 3.5Å; L27-W36 HydrophobicContact CD1-CB 4.24Å; L27-W36 HydrophobicContact CD1-CE3 4.21Å; R28-W36 CarbonylContact O-C 3.39Å; R28-W36 WeakPolarHBondContact O-CA 3.02Å; V29-W36 HydrophobicContact CG2-CB 4.48Å; W36-F50 HydrophobicContact CH2-CD1 4.49Å; W36-F50 AromaticContact CH2-CE1 3.41Å; W36-F50 HydrophobicContact CH2-CE1 3.41Å; W36-F50 VanDerWaalsContact CH2-CE1 3.41Å; W36-F50 AromaticContact CH2-CZ 3.62Å; W36-F50 HydrophobicContact CH2-CZ 3.62Å; W36-F50 HydrophobicContact CZ3-CD1 4.31Å; W36-F50 AromaticContact CZ3-CE1 3.6Å; W36-F50 HydrophobicContact CZ3-CE1 3.6Å; W36-F50 HydrophobicContact CZ3-CZ 4.18Å
37Q89.9Confident81.1Confident115 Ų11584.9 Ų84.954%0.53745%0.453SS..EExtended strand (participates in β ladder)trans-148.1141.6174.3-167.2172.513.700109.9R28 F30R28-Q37 PolarHBondContact N-O 2.9Å; R28-Q37 PolarHBondContact O-N 3.47Å; F30-Q37 HydrophobicContact CE2-CB 4.1Å
38C89.8Confident80.8Confident7 Ų784 Ų845%0.04745%0.452CS..EExtended strand (participates in β ladder)trans-80.6122.6169.6-66.90000109.9C21 T49C21-C38 WeakPolarHBondContact CA-SG 3.11Å; C21-C38 HydrophobicContact CB-CB 3.73Å; C21-C38 WeakPolarHBondContact CB-SG 3.47Å; C21-C38 VanDerWaalsContact SG-CA 3.51Å; C21-C38 WeakPolarHBondContact SG-CB 3.45Å; C21-C38 CovalentContact SG-SG 2.03Å; C21-C38 PolarHBondContact SG-SG 3.08Å; C38-T49 WeakPolarHBondContact CB-O 3.29Å
39D88.6Confident80.5Confident34 Ų3481.9 Ų81.918%0.18246%0.455CS..EExtended strand (participates in β ladder)trans-88.6109.2171.3-175.52.8000109.4V26 R28 S41V26-D39 HydrophobicContact CB-CB 4.42Å; V26-D39 PolarHBondContact N-O 2.87Å; V26-D39 WeakPolarHBondContact O-CB 3.35Å; V26-D39 PolarHBondContact O-N 3.22Å; R28-D39 HydrophobicContact CG-CB 4Å; R28-D39 IonicContact CZ-OD2 3.1Å; R28-D39 IonicContact NE-OD2 2.78Å; R28-D39 PolarHBondContact NE-OD2 2.93Å; R28-D39 IonicContact NH2-OD2 2.72Å; R28-D39 PolarHBondContact NH2-OD2 2.95Å; D39-S41 VanDerWaalsContact C-N 3.33Å; D39-S41 WeakPolarHBondContact OD1-CB 3.43Å; D39-S41 PolarHBondContact OD1-N 2.97Å; D39-S41 PolarHBondContact OD1-OG 3.04Å; D39-S41 PolarHBondContact OD2-OG 3.07Å
40C87.1Confident80.4Confident18 Ų1877.8 Ų77.812%0.12243%0.429CS..  trans-91.97.7178.6-42.30000112.6E42 T43 F46 C51C40-E42 VanDerWaalsContact C-N 3.26Å; C40-E42 PolarHBondContact O-N 3.09Å; C40-T43 CarbonylContact O-C 3.32Å; C40-T43 WeakPolarHBondContact O-CA 3.02Å; C40-T43 PolarHBondContact O-N 2.65Å; C40-T43 VanDerWaalsContact O-O 3.04Å; C40-T43 PolarHBondContact O-OG1 3.37Å; C40-F46 WeakPolarHBondContact CB-O 3.49Å; C40-C51 WeakPolarHBondContact CA-SG 3.16Å; C40-C51 HydrophobicContact CB-CB 3.81Å; C40-C51 WeakPolarHBondContact CB-SG 3.44Å; C40-C51 WeakPolarHBondContact SG-CA 3.36Å; C40-C51 WeakPolarHBondContact SG-CB 3.24Å; C40-C51 CovalentContact SG-SG 2.02Å; C40-C51 PolarHBondContact SG-SG 2.83Å
41S78.6Confident80.5Confident76 Ų7673.5 Ų73.553%0.53141%0.41SS..THydrogen-bonded Turntrans-61.2-30.2-171.857.90000114.2D39 T43D39-S41 VanDerWaalsContact C-N 3.33Å; D39-S41 WeakPolarHBondContact OD1-CB 3.43Å; D39-S41 PolarHBondContact OD1-N 2.97Å; D39-S41 PolarHBondContact OD1-OG 3.04Å; D39-S41 PolarHBondContact OD2-OG 3.07Å; S41-T43 PolarHBondContact O-N 3.4Å
42E70.2Confident80.9Confident144 Ų14471.2 Ų71.267%0.67339%0.388SS*.THydrogen-bonded Turntrans-62.8-30.7174.3-66.3-165.7167.700111.7C40C40-E42 VanDerWaalsContact C-N 3.26Å; C40-E42 PolarHBondContact O-N 3.09Å
43T66.9Low80.8Confident25 Ų2573.1 Ų73.115%0.15338%0.38CS..  trans-107.784.5-179.360.30000110.2N23 C40 S41 F45 F46N23-T43 WeakPolarHBondContact O-CG2 3.43Å; C40-T43 CarbonylContact O-C 3.32Å; C40-T43 WeakPolarHBondContact O-CA 3.02Å; C40-T43 PolarHBondContact O-N 2.65Å; C40-T43 VanDerWaalsContact O-O 3.04Å; C40-T43 PolarHBondContact O-OG1 3.37Å; S41-T43 PolarHBondContact O-N 3.4Å; T43-F45 PolarHBondContact O-N 3.46Å; T43-F46 HydrophobicContact CG2-CD2 4.43Å; T43-F46 PolarHBondContact O-N 3.33Å
44K67.6Low80.5Confident183 Ų18372.8 Ų72.880%0.79638%0.377SS*.THydrogen-bonded Turntrans-50.9-14179.9-70.4-175.5179.6177.80115.8
45F69.2Low79.9Confident129 Ų12972.7 Ų72.757%0.56637%0.367SS*.THydrogen-bonded Turntrans-104.5-8.3-174.8-56.3-60.9000113.7T43 L54 I55 V56T43-F45 PolarHBondContact O-N 3.46Å; F45-L54 CarbonylContact O-C 3.51Å; F45-L54 VanDerWaalsContact O-CA 3.23Å; F45-L54 WeakPolarHBondContact O-CA 3.23Å; F45-I55 PolarHBondContact O-N 2.03Å; F45-V56 HydrophobicContact CB-CG2 3.78Å; F45-V56 HydrophobicContact CD1-CG2 3.32Å; F45-V56 HydrophobicContact CE1-CG2 4.27Å; F45-V56 HydrophobicContact CG-CG2 3.97Å
46F75.9Confident78.7Confident47 Ų4771.6 Ų71.621%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-119.6145-177.3-61.4-98.4000111.1N23 C40 T43 K53 L54 I55N23-F46 HydrophobicContact CB-CD1 4.13Å; N23-F46 HydrophobicContact CB-CE1 4.21Å; N23-F46 HydrophobicContact CB-CG 4.26Å; N23-F46 HydrophobicContact CB-CZ 4.44Å; N23-F46 WeakPolarHBondContact ND2-CD1 3.49Å; N23-F46 WeakPolarHBondContact ND2-CE1 2.98Å; C40-F46 WeakPolarHBondContact CB-O 3.49Å; T43-F46 HydrophobicContact CG2-CD2 4.43Å; T43-F46 PolarHBondContact O-N 3.33Å; F46-K53 CarbonylContact C-O 3.5Å; F46-K53 VanDerWaalsContact CA-O 3.28Å; F46-K53 WeakPolarHBondContact CA-O 3.41Å; F46-L54 HydrophobicContact CD1-CD1 3.85Å; F46-L54 HydrophobicContact CD1-CG 3.77Å; F46-L54 HydrophobicContact CE1-CD1 3.32Å; F46-L54 HydrophobicContact CE1-CD2 4.26Å; F46-L54 HydrophobicContact CE1-CG 3.46Å; F46-L54 VanDerWaalsContact CE1-CG 3.46Å; F46-L54 HydrophobicContact CZ-CD1 4.1Å; F46-L54 HydrophobicContact CZ-CD2 4.31Å; F46-L54 HydrophobicContact CZ-CG 3.98Å; F46-I55 VanDerWaalsContact C-CD1 3.43Å; F46-I55 VanDerWaalsContact O-CD1 3.25Å; F46-I55 WeakPolarHBondContact O-CD1 3.28Å
47G74.3Confident77.5Confident10 Ų1070.5 Ų70.510%0.10337%0.366CS..EExtended strand (participates in β ladder)trans-152-172.4-177.200000110.2C51 K53G47-C51 CarbonylContact O-C 3.58Å; G47-C51 WeakPolarHBondContact O-CA 3.38Å; G47-K53 PolarHBondContact N-O 2.87Å; G47-K53 PolarHBondContact O-N 3.36Å; G47-K53 VanDerWaalsContact O-N 3.15Å; G47-K53 VanDerWaalsContact O-O 3.14Å
48S81.5Confident76.2Confident50 Ų5067.9 Ų67.935%0.3536%0.361SS..SBendtrans90.3172.9-163.6800000113.8F50 C51 E52S48-F50 PolarHBondContact O-N 2.8Å; S48-F50 PolarHBondContact OG-N 2.83Å; S48-C51 PolarHBondContact O-N 3.33Å; S48-C51 PolarHBondContact OG-N 3.42Å; S48-E52 PolarHBondContact OG-N 3.01Å
49T83.5Confident75.1Confident92 Ų9273.7 Ų73.756%0.56439%0.391SS*.THydrogen-bonded Turntrans-62.1-22.5177.951.30000113.7C38C38-T49 WeakPolarHBondContact CB-O 3.29Å
50F86.5Confident74.7Confident9 Ų981.4 Ų81.44%0.03942%0.417CS..THydrogen-bonded Turntrans-123.210.4-179.4-61.9-75.8000113.7N7 F10 I11 I19 A22 W36 S48 E52N7-F50 HydrophobicContact CB-CE2 4.45Å; F10-F50 HydrophobicContact CB-CD1 3.46Å; F10-F50 VanDerWaalsContact CB-CD1 3.46Å; F10-F50 HydrophobicContact CB-CD2 4.42Å; F10-F50 HydrophobicContact CB-CE1 3.58Å; F10-F50 HydrophobicContact CB-CG 3.9Å; F10-F50 HydrophobicContact CB-CZ 4.14Å; F10-F50 HydrophobicContact CD1-CB 4.07Å; F10-F50 HydrophobicContact CD1-CD1 4.44Å; F10-F50 HydrophobicContact CD1-CG 4.35Å; F10-F50 HydrophobicContact CD2-CB 4.22Å; F10-F50 HydrophobicContact CD2-CD1 4.42Å; F10-F50 HydrophobicContact CD2-CD2 4.02Å; F10-F50 HydrophobicContact CD2-CE2 4.49Å; F10-F50 AromaticContact CD2-CG 3.98Å; F10-F50 HydrophobicContact CD2-CG 3.98Å; F10-F50 HydrophobicContact CE1-CB 4.4Å; F10-F50 HydrophobicContact CG-CB 3.99Å; F10-F50 AromaticContact CG-CD1 3.87Å; F10-F50 HydrophobicContact CG-CD1 3.87Å; F10-F50 HydrophobicContact CG-CD2 4.28Å; F10-F50 HydrophobicContact CG-CE1 4.38Å; F10-F50 AromaticContact CG-CG 3.79Å; F10-F50 HydrophobicContact CG-CG 3.79Å; I11-F50 HydrophobicContact CD1-CE1 4.34Å; I11-F50 HydrophobicContact CD1-CZ 3.96Å; I11-F50 HydrophobicContact CG1-CE1 4.08Å; I11-F50 HydrophobicContact CG1-CZ 4.11Å; I19-F50 HydrophobicContact CG2-CE1 4.31Å; A22-F50 WeakPolarHBondContact CA-O 3.44Å; A22-F50 WeakPolarHBondContact CB-O 3.31Å; A22-F50 PolarHBondContact N-O 3.21Å; W36-F50 HydrophobicContact CH2-CD1 4.49Å; W36-F50 AromaticContact CH2-CE1 3.41Å; W36-F50 HydrophobicContact CH2-CE1 3.41Å; W36-F50 VanDerWaalsContact CH2-CE1 3.41Å; W36-F50 AromaticContact CH2-CZ 3.62Å; W36-F50 HydrophobicContact CH2-CZ 3.62Å; W36-F50 HydrophobicContact CZ3-CD1 4.31Å; W36-F50 AromaticContact CZ3-CE1 3.6Å; W36-F50 HydrophobicContact CZ3-CE1 3.6Å; W36-F50 HydrophobicContact CZ3-CZ 4.18Å; S48-F50 PolarHBondContact O-N 2.8Å; S48-F50 PolarHBondContact OG-N 2.83Å; F50-E52 PolarHBondContact O-N 2.81Å
51C87.2Confident74.4Confident0 Ų083.8 Ų83.80%043%0.434CS..SBendtrans59.622.2-174.8-42.70000114.5N23 C40 G47 S48N23-C51 PolarHBondContact ND2-O 3.31Å; C40-C51 WeakPolarHBondContact CA-SG 3.16Å; C40-C51 HydrophobicContact CB-CB 3.81Å; C40-C51 WeakPolarHBondContact CB-SG 3.44Å; C40-C51 WeakPolarHBondContact SG-CA 3.36Å; C40-C51 WeakPolarHBondContact SG-CB 3.24Å; C40-C51 CovalentContact SG-SG 2.02Å; C40-C51 PolarHBondContact SG-SG 2.83Å; G47-C51 CarbonylContact O-C 3.58Å; G47-C51 WeakPolarHBondContact O-CA 3.38Å; S48-C51 PolarHBondContact O-N 3.33Å; S48-C51 PolarHBondContact OG-N 3.42Å
52E84.6Confident74.7Confident79 Ų7985.4 Ų85.437%0.36944%0.436SS..  trans-78.5-29.9-176.477.2-165.1179.800112.6F10 A22 S48 F50F10-E52 WeakPolarHBondContact CE2-OE2 3.18Å; F10-E52 HydrophobicContact CZ-CB 3.95Å; F10-E52 WeakPolarHBondContact CZ-OE2 3.26Å; A22-E52 HydrophobicContact CB-CB 4.32Å; S48-E52 PolarHBondContact OG-N 3.01Å; F50-E52 PolarHBondContact O-N 2.81Å
53K79.1Confident75.6Confident132 Ų13282.2 Ų82.257%0.57443%0.426SS*.EExtended strand (participates in β ladder)trans-92.8127.9-172.9-63.4-172.7-178.1175.30109.9F46 G47 I55F46-K53 CarbonylContact C-O 3.5Å; F46-K53 VanDerWaalsContact CA-O 3.28Å; F46-K53 WeakPolarHBondContact CA-O 3.41Å; G47-K53 PolarHBondContact N-O 2.87Å; G47-K53 PolarHBondContact O-N 3.36Å; G47-K53 VanDerWaalsContact O-N 3.15Å; G47-K53 VanDerWaalsContact O-O 3.14Å; K53-I55 PolarHBondContact O-N 3.38Å
54L74.3Confident76.7Confident105 Ų10583.8 Ų83.855%0.5544%0.441SS..EExtended strand (participates in β ladder)trans-66.9116.1163.7-76.587000108.4F45 F46 V56F45-L54 CarbonylContact O-C 3.51Å; F45-L54 VanDerWaalsContact O-CA 3.23Å; F45-L54 WeakPolarHBondContact O-CA 3.23Å; F46-L54 HydrophobicContact CD1-CD1 3.85Å; F46-L54 HydrophobicContact CD1-CG 3.77Å; F46-L54 HydrophobicContact CE1-CD1 3.32Å; F46-L54 HydrophobicContact CE1-CD2 4.26Å; F46-L54 HydrophobicContact CE1-CG 3.46Å; F46-L54 VanDerWaalsContact CE1-CG 3.46Å; F46-L54 HydrophobicContact CZ-CD1 4.1Å; F46-L54 HydrophobicContact CZ-CD2 4.31Å; F46-L54 HydrophobicContact CZ-CG 3.98Å; L54-V56 PolarHBondContact O-N 2.91Å
55I69.1Low77.9Confident112 Ų11276.9 Ų76.957%0.57442%0.422SS*.SBendtrans-63.1-27171.4-65167.1000109.7F45 F46 K53 S57F45-I55 PolarHBondContact O-N 2.03Å; F46-I55 VanDerWaalsContact C-CD1 3.43Å; F46-I55 VanDerWaalsContact O-CD1 3.25Å; F46-I55 WeakPolarHBondContact O-CD1 3.28Å; K53-I55 PolarHBondContact O-N 3.38Å; I55-S57 PolarHBondContact O-N 3.16Å
56V61Low79.1Confident47 Ų4774.3 Ų74.329%0.28542%0.419SS..  trans-71.599.1174.2-1630000108.1F45 L54 S58F45-V56 HydrophobicContact CB-CG2 3.78Å; F45-V56 HydrophobicContact CD1-CG2 3.32Å; F45-V56 HydrophobicContact CE1-CG2 4.27Å; F45-V56 HydrophobicContact CG-CG2 3.97Å; L54-V56 PolarHBondContact O-N 2.91Å; V56-S58 PolarHBondContact O-N 3.08Å
57S63.8Low80Confident67 Ų6776.4 Ų76.447%0.46943%0.432SS..  trans-59.570.9155.7660000108.5I55 L59 W60 S61I55-S57 PolarHBondContact O-N 3.16Å; S57-L59 PolarHBondContact O-N 3.26Å; S57-L59 VanDerWaalsContact O-N 3.07Å; S57-W60 PolarHBondContact O-N 2.97Å; S57-S61 PolarHBondContact O-N 2.96Å
58S62.4Low81Confident60 Ų6081.3 Ų81.342%0.4246%0.455SS..Hα-helixtrans-57.9-29.8-166.361.20000112.5V56 I62V56-S58 PolarHBondContact O-N 3.08Å; S58-I62 WeakPolarHBondContact O-CD1 3.01Å; S58-I62 WeakPolarHBondContact O-CG1 3.43Å; S58-I62 PolarHBondContact O-N 3.15Å; S58-I62 VanDerWaalsContact O-N 3.12Å
59L65.6Low81.7Confident129 Ų12984.1 Ų84.168%0.67547%0.466SS*.Hα-helixtrans-64.5-42.3172.7-86.385.5000112.8S57 I62 V63S57-L59 PolarHBondContact O-N 3.26Å; S57-L59 VanDerWaalsContact O-N 3.07Å; L59-I62 PolarHBondContact O-N 3.01Å; L59-V63 WeakPolarHBondContact O-CB 3.02Å; L59-V63 WeakPolarHBondContact O-CG2 3.25Å; L59-V63 PolarHBondContact O-N 2.78Å
60W79.6Confident82.3Confident195 Ų19585 Ų8574%0.73947%0.466SS*.Hα-helixtrans-70.4-35.5-178.8-68.884.5000111.9S57 V63 A64S57-W60 PolarHBondContact O-N 2.97Å; W60-V63 PolarHBondContact O-N 2.86Å; W60-A64 WeakPolarHBondContact O-CB 3.43Å; W60-A64 PolarHBondContact O-N 3.26Å
61S81.3Confident82.8Confident69 Ų6989 Ų8948%0.48349%0.487SS..Hα-helixtrans-66.7-39.9175.3-55.90000111.9S57 G65S57-S61 PolarHBondContact O-N 2.96Å; S61-G65 PolarHBondContact O-N 3.25Å
62I84.9Confident83.2Confident110 Ų11092 Ų9256%0.56451%0.507SS*.Hα-helixtrans-65.7-47.9174.7-67164.7000110.2S58 L59 A64 G65 C66S58-I62 WeakPolarHBondContact O-CD1 3.01Å; S58-I62 WeakPolarHBondContact O-CG1 3.43Å; S58-I62 PolarHBondContact O-N 3.15Å; S58-I62 VanDerWaalsContact O-N 3.12Å; L59-I62 PolarHBondContact O-N 3.01Å; I62-A64 PolarHBondContact O-N 3.19Å; I62-G65 PolarHBondContact O-N 3.21Å; I62-C66 PolarHBondContact O-N 3.44Å; I62-C66 PolarHBondContact O-SG 3.21Å; I62-C66 VanDerWaalsContact O-SG 3.34Å
63V88.8Confident83.7Confident77 Ų7791.6 Ų91.647%0.46751%0.51SS..Hα-helixtrans-60.4-45.1178.3171.20000111.1L59 W60 G65 C66 I67L59-V63 WeakPolarHBondContact O-CB 3.02Å; L59-V63 WeakPolarHBondContact O-CG2 3.25Å; L59-V63 PolarHBondContact O-N 2.78Å; W60-V63 PolarHBondContact O-N 2.86Å; V63-G65 VanDerWaalsContact C-N 3.34Å; V63-G65 PolarHBondContact O-N 2.03Å; V63-C66 PolarHBondContact O-N 2.87Å; V63-I67 HydrophobicContact CG1-CD1 3.75Å; V63-I67 HydrophobicContact CG1-CG1 4.42Å; V63-I67 VanDerWaalsContact O-CG1 3.26Å; V63-I67 WeakPolarHBondContact O-CG1 3.22Å; V63-I67 PolarHBondContact O-N 3.37Å
64A90Very high84.5Confident57 Ų5790 Ų9047%0.47151%0.511SS..Hα-helixtrans-62-41.4176.200000111.9W60 I62 I67 L68W60-A64 WeakPolarHBondContact O-CB 3.43Å; W60-A64 PolarHBondContact O-N 3.26Å; I62-A64 PolarHBondContact O-N 3.19Å; A64-I67 PolarHBondContact O-N 3.22Å; A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 PolarHBondContact O-N 2.92Å
65G92.6Very high85.4Confident39 Ų3988.3 Ų88.340%0.40251%0.508SS..Hα-helixtrans-62.2-44.3174.300000112.7S61 I62 V63 L68 L69S61-G65 PolarHBondContact O-N 3.25Å; I62-G65 PolarHBondContact O-N 3.21Å; V63-G65 VanDerWaalsContact C-N 3.34Å; V63-G65 PolarHBondContact O-N 2.03Å; G65-L68 PolarHBondContact O-N 2.83Å; G65-L69 WeakPolarHBondContact O-CB 3.25Å; G65-L69 PolarHBondContact O-N 2.87Å
66C94.3Very high86.5Confident74 Ų7489 Ų8950%0.551%0.512SS..Hα-helixtrans-63.1-43.1175.8-69.90000112.2I62 V63 L69 L70I62-C66 PolarHBondContact O-N 3.44Å; I62-C66 PolarHBondContact O-SG 3.21Å; I62-C66 VanDerWaalsContact O-SG 3.34Å; V63-C66 PolarHBondContact O-N 2.87Å; C66-L69 PolarHBondContact O-N 3.29Å; C66-L70 WeakPolarHBondContact O-CG 3.26Å; C66-L70 PolarHBondContact O-N 3.14Å
67I95.8Very high88Confident91 Ų9190.5 Ų90.547%0.46752%0.523SS..Hα-helixtrans-62.2-45.6176.7-69.6167.4000110.4V63 A64 L69 L70 I71V63-I67 HydrophobicContact CG1-CD1 3.75Å; V63-I67 HydrophobicContact CG1-CG1 4.42Å; V63-I67 VanDerWaalsContact O-CG1 3.26Å; V63-I67 WeakPolarHBondContact O-CG1 3.22Å; V63-I67 PolarHBondContact O-N 3.37Å; A64-I67 PolarHBondContact O-N 3.22Å; I67-L69 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 2.81Å; I67-L70 PolarHBondContact O-N 3.07Å; I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 VanDerWaalsContact O-CG1 3.3Å; I67-I71 WeakPolarHBondContact O-CG1 3.38Å; I67-I71 PolarHBondContact O-N 3.29Å
68L95.9Very high89.2Confident114 Ų11489.8 Ų89.860%0.59752%0.518SS*.Hα-helixtrans-58.9-43.8177.1-168.382.5000111.3A64 G65 I71 C72A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 PolarHBondContact O-N 2.92Å; G65-L68 PolarHBondContact O-N 2.83Å; L68-I71 PolarHBondContact O-N 2.71Å; L68-C72 PolarHBondContact O-N 2.78Å; L68-C72 PolarHBondContact O-SG 3.18Å; L68-C72 VanDerWaalsContact O-SG 3.32Å
69L95.9Very high90.3Very high109 Ų10989.3 Ų89.357%0.57152%0.518SS*.Hα-helixtrans-62.8-44.4177.7-170.1153.1000111.6G65 C66 I67 I71 C72 V73G65-L69 WeakPolarHBondContact O-CB 3.25Å; G65-L69 PolarHBondContact O-N 2.87Å; C66-L69 PolarHBondContact O-N 3.29Å; I67-L69 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 2.81Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 2.86Å; L69-C72 WeakPolarHBondContact O-CB 3.48Å; L69-C72 PolarHBondContact O-N 3.4Å; L69-V73 HydrophobicContact CD2-CG2 3.96Å; L69-V73 WeakPolarHBondContact O-CG2 3.06Å; L69-V73 PolarHBondContact O-N 2.92Å
70L96.2Very high91.2Very high111 Ų11188.5 Ų88.558%0.58151%0.514SS*.Hα-helixtrans-60.5-43.3175.7-72175.9000111.7C66 I67 C72 V73 V74C66-L70 WeakPolarHBondContact O-CG 3.26Å; C66-L70 PolarHBondContact O-N 3.14Å; I67-L70 PolarHBondContact O-N 3.07Å; L70-C72 VanDerWaalsContact C-N 3.34Å; L70-C72 PolarHBondContact O-N 3.07Å; L70-V73 PolarHBondContact O-N 2.97Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 2.98Å
71I96.3Very high91.1Very high92 Ų9287.2 Ų87.247%0.47251%0.51SS..Hα-helixtrans-60.1-45.8175.2-67.3166.1000110.2I67 L68 L69 V73 V74 C75I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 VanDerWaalsContact O-CG1 3.3Å; I67-I71 WeakPolarHBondContact O-CG1 3.38Å; I67-I71 PolarHBondContact O-N 3.29Å; L68-I71 PolarHBondContact O-N 2.71Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 2.86Å; I71-V73 PolarHBondContact O-N 2.02Å; I71-V74 PolarHBondContact O-N 3.27Å; I71-C75 WeakPolarHBondContact O-CB 3.18Å; I71-C75 PolarHBondContact O-N 3.35Å; I71-C75 PolarHBondContact O-SG 2.75Å
72C95.8Very high90.4Very high63 Ų6390 Ų9043%0.42651%0.513SS..Hα-helixtrans-59.9-43.9176.6-70.90000112.3L68 L69 L70 C75 L76L68-C72 PolarHBondContact O-N 2.78Å; L68-C72 PolarHBondContact O-SG 3.18Å; L68-C72 VanDerWaalsContact O-SG 3.32Å; L69-C72 WeakPolarHBondContact O-CB 3.48Å; L69-C72 PolarHBondContact O-N 3.4Å; L70-C72 VanDerWaalsContact C-N 3.34Å; L70-C72 PolarHBondContact O-N 3.07Å; C72-C75 PolarHBondContact O-N 2.79Å; C72-L76 WeakPolarHBondContact O-CB 3.4Å; C72-L76 VanDerWaalsContact O-CG 3.28Å; C72-L76 WeakPolarHBondContact O-CG 3.37Å; C72-L76 PolarHBondContact O-N 2.87Å
73V95.8Very high89.6Confident70 Ų7089.9 Ų89.942%0.42451%0.514SS..Hα-helixtrans-62.2-46.7177.41730000110.7L69 L70 I71 C75 L76 C77L69-V73 HydrophobicContact CD2-CG2 3.96Å; L69-V73 WeakPolarHBondContact O-CG2 3.06Å; L69-V73 PolarHBondContact O-N 2.92Å; L70-V73 PolarHBondContact O-N 2.97Å; I71-V73 PolarHBondContact O-N 2.02Å; V73-C75 VanDerWaalsContact C-N 3.33Å; V73-C75 PolarHBondContact O-N 3.24Å; V73-L76 PolarHBondContact O-N 3.2Å; V73-C77 WeakPolarHBondContact O-CB 3.48Å; V73-C77 PolarHBondContact O-N 3.45Å; V73-C77 PolarHBondContact O-SG 2.77Å
74V94.8Very high88.5Confident99 Ų9994.6 Ų94.660%0.652%0.523SS*.Hα-helixtrans-61.1-42176.71730000111.4L70 I71 C77 S78L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 2.98Å; I71-V74 PolarHBondContact O-N 3.27Å; V74-C77 PolarHBondContact O-N 3.12Å; V74-S78 WeakPolarHBondContact O-CB 3.41Å; V74-S78 PolarHBondContact O-N 3Å; V74-S78 PolarHBondContact O-OG 2.91Å
75C93.8Very high87.2Confident70 Ų7095.4 Ų95.447%0.47352%0.519SS..Hα-helixtrans-63.8-43.4176-74.50000112.2I71 C72 V73 S78 A79I71-C75 WeakPolarHBondContact O-CB 3.18Å; I71-C75 PolarHBondContact O-N 3.35Å; I71-C75 PolarHBondContact O-SG 2.75Å; C72-C75 PolarHBondContact O-N 2.79Å; V73-C75 VanDerWaalsContact C-N 3.33Å; V73-C75 PolarHBondContact O-N 3.24Å; C75-S78 WeakPolarHBondContact CA-OG 3.32Å; C75-S78 PolarHBondContact O-N 3.32Å; C75-S78 PolarHBondContact O-OG 3.46Å; C75-A79 VanDerWaalsContact O-CB 3.25Å; C75-A79 WeakPolarHBondContact O-CB 3.3Å; C75-A79 PolarHBondContact O-N 3.34Å
76L92.6Very high85.6Confident126 Ų126101.9 Ų101.966%0.6653%0.532SS*.Hα-helixtrans-68.4-40.8177.4-70.1173.4000112C72 V73 N80C72-L76 WeakPolarHBondContact O-CB 3.4Å; C72-L76 VanDerWaalsContact O-CG 3.28Å; C72-L76 WeakPolarHBondContact O-CG 3.37Å; C72-L76 PolarHBondContact O-N 2.87Å; V73-L76 PolarHBondContact O-N 3.2Å; L76-N80 VanDerWaalsContact O-CB 3.25Å; L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 PolarHBondContact O-N 2.82Å
77C91.4Very high83.9Confident79 Ų79100.8 Ų100.853%0.53453%0.533SS..Hα-helixtrans-62.8-43.7175.5-72.10000111.6V73 V74 W81V73-C77 WeakPolarHBondContact O-CB 3.48Å; V73-C77 PolarHBondContact O-N 3.45Å; V73-C77 PolarHBondContact O-SG 2.77Å; V74-C77 PolarHBondContact O-N 3.12Å; C77-W81 VanDerWaalsContact O-CB 3.3Å; C77-W81 WeakPolarHBondContact O-CB 3.32Å; C77-W81 PolarHBondContact O-N 2.95Å
78S88.7Confident82Confident52 Ų52106 Ų10636%0.36455%0.547SS..Hα-helixtrans-69.7-42.2177.458.40000112.3V74 C75 N80 W81 F82V74-S78 WeakPolarHBondContact O-CB 3.41Å; V74-S78 PolarHBondContact O-N 3Å; V74-S78 PolarHBondContact O-OG 2.91Å; C75-S78 WeakPolarHBondContact CA-OG 3.32Å; C75-S78 PolarHBondContact O-N 3.32Å; C75-S78 PolarHBondContact O-OG 3.46Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact O-N 3.46Å; S78-W81 PolarHBondContact O-N 3.16Å; S78-F82 VanDerWaalsContact O-CD2 3.23Å; S78-F82 WeakPolarHBondContact O-CD2 3.45Å; S78-F82 PolarHBondContact O-N 2.78Å
79A85.6Confident80.1Confident50 Ų50110.3 Ų110.341%0.41356%0.555SS.*Hα-helixtrans-61.1-40.8175.200000112.3C75 N83C75-A79 VanDerWaalsContact O-CB 3.25Å; C75-A79 WeakPolarHBondContact O-CB 3.3Å; C75-A79 PolarHBondContact O-N 3.34Å; A79-N83 WeakPolarHBondContact O-CB 3.25Å; A79-N83 PolarHBondContact O-N 2.95Å; A79-N83 PolarHBondContact O-ND2 3.25Å
80N85.3Confident78.2Confident112 Ų112116 Ų11660%0.59957%0.569SS**Hα-helixtrans-68.6-40.6175.7-167.515.3000111.8L76 S78 N83 R84L76-N80 VanDerWaalsContact O-CB 3.25Å; L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 PolarHBondContact O-N 2.82Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact O-N 3.46Å; N80-N83 PolarHBondContact O-N 2.9Å; N80-R84 WeakPolarHBondContact O-CB 3.3Å; N80-R84 PolarHBondContact O-N 2.94Å
81W77.1Confident76.2Confident168 Ų168121.2 Ų121.264%0.63658%0.581SS**Hα-helixtrans-59.9-48.1174.2-173-85.8000111.8C77 S78 N83 R84 D85C77-W81 VanDerWaalsContact O-CB 3.3Å; C77-W81 WeakPolarHBondContact O-CB 3.32Å; C77-W81 PolarHBondContact O-N 2.95Å; S78-W81 PolarHBondContact O-N 3.16Å; W81-N83 PolarHBondContact O-N 2.66Å; W81-R84 PolarHBondContact O-N 2.98Å; W81-D85 PolarHBondContact O-N 2.72Å
82F66.6Low74Confident126 Ų126124.4 Ų124.455%0.55359%0.594SS**Hα-helixtrans-63.7-37.7177.9-87.1-71.6000112.9S78 R86S78-F82 VanDerWaalsContact O-CD2 3.23Å; S78-F82 WeakPolarHBondContact O-CD2 3.45Å; S78-F82 PolarHBondContact O-N 2.78Å; F82-R86 WeakPolarHBondContact O-CB 3.36Å; F82-R86 VanDerWaalsContact O-CG 3.3Å; F82-R86 WeakPolarHBondContact O-CG 3.28Å; F82-R86 PolarHBondContact O-N 3.29Å; F82-R86 VanDerWaalsContact O-N 3.12Å
83N67.9Low72Confident108 Ų108126.6 Ų126.658%0.57861%0.607SS**Hα-helixtrans-67.2-37.6174.9-81.6-27.3000112.3A79 N80 W81 G87A79-N83 WeakPolarHBondContact O-CB 3.25Å; A79-N83 PolarHBondContact O-N 2.95Å; A79-N83 PolarHBondContact O-ND2 3.25Å; N80-N83 PolarHBondContact O-N 2.9Å; W81-N83 PolarHBondContact O-N 2.66Å; N83-G87 PolarHBondContact O-N 2.99Å
84R66.6Low70.2Confident176 Ų176129 Ų12966%0.66462%0.622SS**Hα-helixtrans-69.6-35.4178.7-160.8165104.1152.91.8112.7N80 W81N80-R84 WeakPolarHBondContact O-CB 3.3Å; N80-R84 PolarHBondContact O-N 2.94Å; W81-R84 PolarHBondContact O-N 2.98Å
85D62Low68.3Low74 Ų74131.6 Ų131.640%0.39663%0.632SS.*Hα-helixtrans-80.4-29.9-178.8-140.36.9000112.7W81 G87 R88W81-D85 PolarHBondContact O-N 2.72Å; D85-G87 VanDerWaalsContact C-N 3.29Å; D85-G87 PolarHBondContact O-N 3.32Å; D85-R88 PolarHBondContact O-N 3.39Å
86R58.8Low66.1Low175 Ų175140 Ų14066%0.6665%0.654SS**Hα-helixtrans-66-29.7171.2-75.5178.2-179.1176.61.7113.1F82 R88F82-R86 WeakPolarHBondContact O-CB 3.36Å; F82-R86 VanDerWaalsContact O-CG 3.3Å; F82-R86 WeakPolarHBondContact O-CG 3.28Å; F82-R86 PolarHBondContact O-N 3.29Å; F82-R86 VanDerWaalsContact O-N 3.12Å; R86-R88 VanDerWaalsContact C-N 3.34Å; R86-R88 PolarHBondContact O-N 2.93Å
87G59.1Low63.8Low51 Ų51139.8 Ų139.853%0.52666%0.662SS.*Hα-helixtrans-68.8-26.2177.200000114.6N83 D85N83-G87 PolarHBondContact O-N 2.99Å; D85-G87 VanDerWaalsContact C-N 3.29Å; D85-G87 PolarHBondContact O-N 3.32Å
88R56.4Low61.8Low201 Ų201144.4 Ų144.476%0.75868%0.678SS**Hα-helixtrans-86.1-24.7-179.5-72.4-170.6179-141.70.3114D85 R86D85-R88 PolarHBondContact O-N 3.39Å; R86-R88 VanDerWaalsContact C-N 3.34Å; R86-R88 PolarHBondContact O-N 2.93Å
89R56Low59.8Low205 Ų205147 Ų14777%0.77470%0.696SS**THydrogen-bonded Turntrans-82.5-8.1179.1-63.3-164.3-169.2-150.24.9114.7
90R55.1Low57.9Low229 Ų229152.1 Ų152.186%0.86472%0.722SS**THydrogen-bonded Turntrans-96.819.1174.7-74.3-163.4-177-161.72.7114.6
91R54.8Low56Low220 Ų220149.9 Ų149.983%0.8373%0.726SS**  trans-118.971.6163.1-65.8-172-168.8-1793.1108.9P93R91-P93 WeakPolarHBondContact O-CD 3.43Å
92H50.9Low54.5Low159 Ų159150.4 Ų150.474%0.73674%0.741SS**  trans-81.4104.5143-109.7-76.8000106T94H92-T94 PolarHBondContact O-N 3.26Å
93P52.6Low53.7Low109 Ų109147.4 Ų147.471%0.70875%0.745SS**  trans-75.382.7161.132.9-29000106R91 N95R91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-N95 PolarHBondContact O-N 2.95Å
94T58.8Low52.8Low119 Ų119148.7 Ų148.773%0.7376%0.758SS**  trans-79.560.9157.837.90000108.6H92H92-T94 PolarHBondContact O-N 3.26Å
95N54.5Low51.9Low154 Ų154146.1 Ų146.182%0.82477%0.766SS**  trans-91.189.2142.4-87-0000105.7P93P93-N95 PolarHBondContact O-N 2.95Å
96R47.3Very low51.1Low246 Ų246145.8 Ų145.893%0.92878%0.781SS**  trans-113123.2147.4-85.9-166.9-174.3-175.83.2107.6
97C43.8Very low50.2Low122 Ų122146.3 Ų146.382%0.82479%0.79SS**  trans-57.9155-174.7-59.40000114
98M49.1Very low49.4Very low176 Ų176149.3 Ų149.387%0.86780%0.803SS**  trans-41.6134147.4-69.2160.965.400112.3
99S47.7Very low48.7Very low107 Ų107144.7 Ų144.775%0.74881%0.808SS**  160.5107.9119.9-80.70000112.2
100T45.6Very low48Very low157 Ų157138.4 Ų138.496%0.96381%0.807SS**  trans-179.2123.5135.5-10.40000105.6
101G46.1Very low47.4Very low66 Ų66135.9 Ų135.968%0.6881%0.807SS**  cis177.2139.9-3.500000105.7
102D44.8Very low46.9Very low179 Ų179135.7 Ų135.796%0.95781%0.807SS**  trans167.3133.5139.4-98-22.4000110.9
103G49.8Very low46.6Very low62 Ų62134.9 Ų134.964%0.63981%0.808SS**  trans107.593.915800000117
104T48.8Very low46.3Very low136 Ų136136.7 Ų136.783%0.83482%0.817SS**  trans75.6114.2134.7380000121.4
105S49Very low45.4Very low121 Ų121134.4 Ų134.485%0.84682%0.817SS**  trans70.3126133.663.70000120.6
106G43.5Very low44.7Very low68 Ų68138.4 Ų138.470%0.70182%0.821SS**  trans138.684.2143.100000116.7
107H41Very low44.5Very low185 Ų185138.3 Ų138.386%0.85682%0.821SS**  trans57.5121.8132-65-20.5000122.6
108S41.3Very low44.3Very low114 Ų114136.9 Ų136.980%0.79782%0.818SS**  103.9117.1129.5-62.30000119.6
109A41.8Very low43.8Very low104 Ų104139.2 Ų139.286%0.8682%0.817SS**  trans42.3119.4133.700000117.4
110G41.3Very low44Very low74 Ų74140 Ų14076%0.76382%0.82SS**  cis114.2144.449.300000109.1
111M42.1Very low44Very low175 Ų175135.3 Ų135.386%0.86280%0.797SS**  trans101.398.4156.9-141.5147.499.100119.8
112R45.4Very low43.8Very low216 Ų216141.2 Ų141.282%0.81581%0.806SS**  50.1125.8124.9-64.8-178.5-174.7172.82122.3
113D44.1Very low43.7Very low143 Ų143136.9 Ų136.977%0.76580%0.795SS**  36.2127.4130-66.9-41.1000120.4
114T46Very low43.4Very low147 Ų147142.9 Ų142.990%0.90281%0.807SS**  175.5124.9112.630.90000113
115G40Very low42.8Very low71 Ų71148.6 Ų148.673%0.73281%0.813SS**  73.3115120.100000122.4
116R40.3Very low42.2Very low237 Ų237146 Ų14689%0.89481%0.805SS**  trans80115.7132.5-65.4-175.6-179.5-145.8-0.1120.8
117R43Very low42.2Very low245 Ų245149 Ų14993%0.92581%0.811SS**  152.9138.7117.3-85.9180-97.6-167.4-5107.8
118A38.9Very low42.4Very low92 Ų92152.1 Ų152.176%0.7682%0.815SS**  cis-167.9146.6-10.400000104.9
119W38.9Very low42.5Very low224 Ų224152.8 Ų152.885%0.84881%0.814SS**  trans-83.1164.2162.7-117.653.9000108.4A121W119-A121 HydrophobicContact CE3-CB 3.86Å; W119-A121 VanDerWaalsContact CE3-N 3.34Å; W119-A121 HydrophobicContact CH2-CB 4.39Å; W119-A121 HydrophobicContact CZ3-CB 3.55Å
120P53.3Low42.8Very low125 Ų125154.4 Ų154.481%0.81281%0.808SS**  -145.7155.762.635.8-14.2000118.9
121A44.6Very low43.1Very low58 Ų58156.3 Ų156.348%0.47981%0.807SS.*  trans-10.9139.5149.700000120.7W119W119-A121 HydrophobicContact CE3-CB 3.86Å; W119-A121 VanDerWaalsContact CE3-N 3.34Å; W119-A121 HydrophobicContact CH2-CB 4.39Å; W119-A121 HydrophobicContact CZ3-CB 3.55Å
122Q42.2Very low43.1Very low189 Ų189159 Ų15988%0.88381%0.807SS**  -170.7103.1117.2-107.9175.6-18.900108.5
123A41.9Very low42.6Very low88 Ų88152.7 Ų152.773%0.72781%0.81SS**  72105.485.100000114
124Q43.2Very low42.4Very low189 Ų189149.4 Ų149.488%0.88381%0.81SS**  179.6106.9129.8-96169.812.900108.9
125R36.4Very low42.5Very low255 Ų255148.2 Ų148.296%0.96281%0.805SS**  78.8108.786.1-151.5-176.4-136.3-137.85.5111.5
126G37.7Very low42.9Very low66 Ų66150.7 Ų150.768%0.6881%0.81SS**  trans166.472.3171.600000115.7
127T42.7Very low43.1Very low133 Ų133144 Ų14482%0.81680%0.8SS**  trans35.8105.4140.523.60000119.5V129T127-V129 PolarHBondContact O-N 3.4Å
128R45.8Very low43Very low249 Ų249137.2 Ų137.294%0.9479%0.79SS**  trans-60.5120.1151.9-73.4179173.6-179.1-2.1109.6
129V44Very low43.2Very low128 Ų128138.2 Ų138.278%0.77679%0.787SS**  trans-137.7120.8153.1-175.70000107.6T127T127-V129 PolarHBondContact O-N 3.4Å
130N46.8Very low43.2Very low138 Ų138136.5 Ų136.574%0.73879%0.788SS**  trans-90.9139.5170.8-154.117.7000107.4
131P49Very low42.6Very low115 Ų115141.7 Ų141.775%0.74779%0.791SS**  -135.3122.8119.532.8-19.8000108.6
132R40.3Very low42.4Very low230 Ų230144.2 Ų144.287%0.86881%0.806SS**  44.497.967.8-144.3179-165.9-178.73.4114.4
133G35.3Very low42.3Very low84 Ų84140.6 Ų140.687%0.86680%0.801SS**  trans112.7113.2139.300000116.6
134G41.2Very low42.4Very low74 Ų74140.7 Ų140.776%0.76380%0.796SS**  trans159119.8160.800000114.1
135P46.7Very low42.7Very low123 Ų123137.5 Ų137.580%0.79980%0.795SS**  trans-93.3159.2-162.837.3-34000114.2
136S48.7Very low43.2Very low122 Ų122131.6 Ų131.685%0.85378%0.783SS**  trans-70.3119.216049.10000111.6
137S44.3Very low43.9Very low96 Ų96137.3 Ų137.367%0.67179%0.792SS**  trans-170.4132.3152.155.10000111.8
138S42.1Very low44.2Very low104 Ų104139.1 Ų139.173%0.72780%0.795SS**  trans53.9119.5151.361.90000117
139T42.6Very low44.4Very low112 Ų112134.6 Ų134.669%0.68779%0.788SS**  -178.912656.6-44.50000103.8
140H38.5Very low44.5Very low188 Ų188134.5 Ų134.587%0.8779%0.793SS**  -171.797.7102.3-97.3-82.6000107.4
141R41Very low44.4Very low234 Ų234134.1 Ų134.188%0.88380%0.802SS**  trans-101.3127169.4-166.1178.3-177.1-176.60.5106.1
142S40.8Very low44.6Very low111 Ų111137.1 Ų137.178%0.77681%0.806SS**  trans75.9108.9165.6-47.70000117.3
143S39.3Very low45.1Very low113 Ų113138.4 Ų138.479%0.7981%0.811SS**  169.2124.3116.6-169.60000110.4
144S43.8Very low45.8Very low90 Ų90138.4 Ų138.463%0.62981%0.81SS**  trans14681.4135.276.90000111.6D146S144-D146 PolarHBondContact O-N 3.41Å
145S49.2Very low46.2Very low122 Ų122138.8 Ų138.885%0.85381%0.806SS**  trans-78.943.5155.845.30000110.8
146D48.3Very low46Very low132 Ų132141.8 Ų141.871%0.70681%0.809SS**  trans-128.433.7-169.1-78.6-57.6000113.5S144S144-D146 PolarHBondContact O-N 3.41Å
147E51.3Low45.7Very low185 Ų185147.9 Ų147.986%0.86481%0.814SS**  trans-121.144.7170.4-85-167.6137.800112.7
148L48.8Very low45.7Very low171 Ų171154.5 Ų154.590%0.89582%0.824SS**SBendtrans-104.87163.9-81.1177.2000114.3
149I51.2Low45.9Very low154 Ų154156.3 Ų156.379%0.7983%0.831SS**SBendtrans-148.970.8-175.1-41.2174.6000112.1
150S44.6Very low45.9Very low126 Ų126155.3 Ų155.388%0.88183%0.833SS**SBendtrans-156.118.8163.6-92.20000117.2
151S45.9Very low46.1Very low131 Ų131151 Ų15192%0.91683%0.83SS**SBendtrans-101.18.7168.3-158.30000114.3
152E52.8Low46.3Very low178 Ų178148.9 Ų148.983%0.83283%0.828SS**SBendtrans-123.565.2-176-164.8-177.1176.400111.9
153R50.1Low46.5Very low257 Ų257149.1 Ų149.197%0.9783%0.827SS**  trans-177.495.2153.6-103.8158-171.71454.1110.6
154G51.4Low47Very low83 Ų83149.5 Ų149.586%0.85683%0.829SS**SBendtrans-163.63.7-179.700000118.4
155A49.1Very low47Very low82 Ų82148.7 Ų148.768%0.67884%0.836SS**SBendtrans-166.4139.1164.100000110.8
156H41.4Very low46.8Very low187 Ų187150.1 Ų150.187%0.86683%0.833SS**  trans83.358.9176.2-53.8-62.6000117.1R158H156-R158 PolarHBondContact O-N 3.21Å
157R43.4Very low46.9Very low250 Ų250150.8 Ų150.894%0.94384%0.836SS**  trans-59108.3133.7-95.1-174.6170.2-175.6-1.8108.2
158R44.8Very low46.6Very low234 Ų234148.2 Ų148.288%0.88383%0.833SS**  trans-152.7105130.5-71-155.7176.5172.8-2.4109.6H156H156-R158 PolarHBondContact O-N 3.21Å
159T46.3Very low46.6Very low143 Ų143147 Ų14788%0.87782%0.823SS**  trans5490.9152.247.80000119.1
160A42.3Very low46.5Very low90 Ų90148.8 Ų148.874%0.74483%0.828SS**  trans-109.898.7147.600000108.2F162A160-F162 HydrophobicContact CB-CD2 4.47Å; A160-F162 HydrophobicContact CB-CE2 4.3Å
161A41.8Very low46.8Very low97 Ų97151.2 Ų151.280%0.80282%0.819SS**  trans-10397.3159.100000105.7
162F46.2Very low47.2Very low191 Ų191150.5 Ų150.584%0.83881%0.809SS**PPolyproline II helixtrans-78.9142.3163.3-72.6-81.2000108.2A160A160-F162 HydrophobicContact CB-CD2 4.47Å; A160-F162 HydrophobicContact CB-CE2 4.3Å
163P45.1Very low47.3Very low116 Ų116147.4 Ų147.475%0.75380%0.802SS**PPolyproline II helixtrans-99.1124.2131.222.5-8.6000108.4
164S48.7Very low47.2Very low120 Ų120143.3 Ų143.384%0.83979%0.786SS**PPolyproline II helixtrans-48.7132.8154.641.20000111.9
165G45.2Very low47.2Very low74 Ų74146.5 Ų146.576%0.76378%0.783SS**  trans113.1116.3156.300000116
166N44.2Very low47.4Very low151 Ų151149.9 Ų149.981%0.80779%0.79SS**SBendtrans63.7115.2160.8-88.2-0.4000120.5
167I51.5Low48Very low146 Ų146145.4 Ų145.475%0.74978%0.775SS**  trans56.189142-49.5164.4000114.5
168T44.9Very low48.7Very low132 Ų132140 Ų14081%0.8176%0.764SS**  -177.3112.6129.734.80000107.6Q170T168-Q170 PolarHBondContact O-N 3.46Å; T168-Q170 VanDerWaalsContact O-N 3.09Å
169Q47.3Very low49.3Very low146 Ų146134.2 Ų134.268%0.68276%0.757SS**  trans-63.5111.3171.7-71.2176.5-29.100107.7Y171Q169-Y171 VanDerWaalsContact C-N 3.26Å; Q169-Y171 HydrophobicContact CB-CD2 4.05Å; Q169-Y171 HydrophobicContact CB-CE2 3.63Å; Q169-Y171 VanDerWaalsContact O-CD2 3.26Å; Q169-Y171 WeakPolarHBondContact O-CD2 3.44Å; Q169-Y171 PolarHBondContact O-N 2.92Å; Q169-Y171 VanDerWaalsContact OE1-CZ 3.25Å; Q169-Y171 PolarHBondContact OE1-OH 3.32Å
170Q49.7Very low50Low191 Ų191133.7 Ų133.789%0.89375%0.753SS**  trans-67.292.3164-98.9-179.4-30.300107.6T168 V172T168-Q170 PolarHBondContact O-N 3.46Å; T168-Q170 VanDerWaalsContact O-N 3.09Å; Q170-V172 PolarHBondContact O-N 2.94Å
171Y51.6Low50.7Low177 Ų177137.1 Ų137.169%0.69475%0.752SS**  trans-67.699.8164.1-68.2-88.6000107.2Q169 V173Q169-Y171 VanDerWaalsContact C-N 3.26Å; Q169-Y171 HydrophobicContact CB-CD2 4.05Å; Q169-Y171 HydrophobicContact CB-CE2 3.63Å; Q169-Y171 VanDerWaalsContact O-CD2 3.26Å; Q169-Y171 WeakPolarHBondContact O-CD2 3.44Å; Q169-Y171 PolarHBondContact O-N 2.92Å; Q169-Y171 VanDerWaalsContact OE1-CZ 3.25Å; Q169-Y171 PolarHBondContact OE1-OH 3.32Å; Y171-V173 PolarHBondContact O-N 3.44Å
172V52.7Low51.3Low116 Ų116136.8 Ų136.870%0.70374%0.736SS**  trans-65.396.3160.2179.10000105.6Q170 R174Q170-V172 PolarHBondContact O-N 2.94Å; V172-R174 VanDerWaalsContact C-N 3.27Å; V172-R174 HydrophobicContact CG1-CG 4.2Å; V172-R174 PolarHBondContact O-N 3.28Å
173V55.3Low51.9Low113 Ų113132.2 Ų132.269%0.68573%0.726SS**  trans-67.292.6172.6-178.80000106.8Y171Y171-V173 PolarHBondContact O-N 3.44Å
174R48.3Very low52.5Low171 Ų171130.8 Ų130.865%0.64572%0.724SS**  trans-72.3126163.1-70.4-176.3153.5173-7.2105.8V172 D176 T177V172-R174 VanDerWaalsContact C-N 3.27Å; V172-R174 HydrophobicContact CG1-CG 4.2Å; V172-R174 PolarHBondContact O-N 3.28Å; R174-D176 PolarHBondContact O-N 3.27Å; R174-T177 HydrophobicContact CB-CG2 4.38Å; R174-T177 PolarHBondContact O-N 3.48Å; R174-T177 PolarHBondContact O-OG1 2.86Å
175L52.7Low52.8Low149 Ų149132.3 Ų132.378%0.7872%0.72SS**G310 helixtrans-60.4-10174.2-87.280.1000112.4T177L175-T177 VanDerWaalsContact C-N 3.28Å
176D52Low53.2Low154 Ų154134.3 Ų134.382%0.82471%0.711SS**G310 helixtrans-80.7-3.6172.3-51.5-40.6000113.7R174R174-D176 PolarHBondContact O-N 3.27Å
177T53.9Low53.4Low92 Ų92129.8 Ų129.856%0.56470%0.701SS**G310 helixtrans-11545.5175.5620000111.2R174 L175 P179R174-T177 HydrophobicContact CB-CG2 4.38Å; R174-T177 PolarHBondContact O-N 3.48Å; R174-T177 PolarHBondContact O-OG1 2.86Å; L175-T177 VanDerWaalsContact C-N 3.28Å; T177-P179 WeakPolarHBondContact O-CD 3.25Å
178I58Low53.5Low138 Ų138127.3 Ų127.371%0.70871%0.711SS**  trans-69.2110154.9-59.1172.6000104.5T180I178-T180 PolarHBondContact O-N 3.32Å
179P57.3Low53.8Low112 Ų112127.2 Ų127.273%0.72771%0.71SS**  trans-58.3114.9174.724.7-31.4000106.5T177 F181T177-P179 WeakPolarHBondContact O-CD 3.25Å; P179-F181 PolarHBondContact O-N 3.3Å
180T61.6Low54.1Low132 Ų132128.2 Ų128.281%0.8172%0.715SS**  trans-50.3114.1168.330.60000106.8I178 N182I178-T180 PolarHBondContact O-N 3.32Å; T180-N182 PolarHBondContact O-N 2.92Å
181F56.4Low53.9Low162 Ų162125.2 Ų125.271%0.71171%0.712SS**  trans-53.2111.5-178.8-162.3-96.2000107.7P179 P183 I186P179-F181 PolarHBondContact O-N 3.3Å; F181-P183 WeakPolarHBondContact O-CD 3.47Å; F181-I186 HydrophobicContact CE1-CD1 3.73Å; F181-I186 HydrophobicContact CE2-CD1 4.15Å; F181-I186 HydrophobicContact CZ-CD1 3.27Å
182N55.2Low53.5Low89 Ų89122.9 Ų122.948%0.47672%0.716SS.*  trans-90100.1176.2-176.51.5000107.2T180 A184 M185T180-N182 PolarHBondContact O-N 2.92Å; N182-A184 PolarHBondContact O-N 3.22Å; N182-A184 WeakPolarHBondContact OD1-CB 3.23Å; N182-A184 PolarHBondContact OD1-N 2.9Å; N182-M185 HydrophobicContact CB-CG 4.42Å; N182-M185 HydrophobicContact CB-SD 4.46Å; N182-M185 PolarHBondContact O-N 3.49Å
183P58.4Low53.5Low96 Ų96120.8 Ų120.862%0.62372%0.718SS**G310 helixtrans-61.7-18.3-177.824.9-33.9000112.6F181 M185 I186F181-P183 WeakPolarHBondContact O-CD 3.47Å; P183-M185 PolarHBondContact O-N 3.48Å; P183-I186 PolarHBondContact O-N 2.91Å
184A58.2Low52.8Low86 Ų86119.2 Ų119.271%0.71172%0.717SS**G310 helixtrans-72.9-11.3176.400000114.2N182N182-A184 PolarHBondContact O-N 3.22Å; N182-A184 WeakPolarHBondContact OD1-CB 3.23Å; N182-A184 PolarHBondContact OD1-N 2.9Å
185M53.8Low53Low152 Ų152117.6 Ų117.675%0.74973%0.728SS**G310 helixtrans-90.5-6.2177.1-77.6-17748.700113.8N182 P183N182-M185 HydrophobicContact CB-CG 4.42Å; N182-M185 HydrophobicContact CB-SD 4.46Å; N182-M185 PolarHBondContact O-N 3.49Å; P183-M185 PolarHBondContact O-N 3.48Å
186I54.2Low52.7Low115 Ų115117.7 Ų117.759%0.5973%0.729SS**SBendtrans-101.998.5173.9-64.9175.5000108F181 P183F181-I186 HydrophobicContact CE1-CD1 3.73Å; F181-I186 HydrophobicContact CE2-CD1 4.15Å; F181-I186 HydrophobicContact CZ-CD1 3.27Å; P183-I186 PolarHBondContact O-N 2.91Å
187G48.8Very low52.6Low57 Ų57119.5 Ų119.559%0.58873%0.733SS**  trans80.498.2159.600000115V189G187-V189 VanDerWaalsContact C-N 3.3Å; G187-V189 PolarHBondContact O-N 2.85Å
188G53.2Low52.5Low93 Ų93123.5 Ų123.596%0.95975%0.745SS**  trans-60.886.5166.200000112.5
189V52Low52.1Low130 Ų130124.3 Ų124.379%0.78875%0.751SS**  trans-102.2107.5161.6-154.50000106.2G187G187-V189 VanDerWaalsContact C-N 3.3Å; G187-V189 PolarHBondContact O-N 2.85Å
190E53.2Low51.9Low168 Ų168127.6 Ų127.679%0.78576%0.758SS**  trans-58.4129171.9-68.2-149.713600109.5T192E190-T192 VanDerWaalsContact C-N 3.27Å; E190-T192 PolarHBondContact O-N 2.86Å
191P46Very low52.2Low127 Ų127123.7 Ų123.783%0.82574%0.744SS**  trans-75.191.416526.1-22.3000107.3G193P191-G193 PolarHBondContact O-N 3.28Å; P191-G193 VanDerWaalsContact O-N 3.08Å
192T43.3Very low53.1Low128 Ų128121.8 Ų121.879%0.78575%0.748SS**  trans-47.9117163.2-60.70000108.2E190 A194E190-T192 VanDerWaalsContact C-N 3.27Å; E190-T192 PolarHBondContact O-N 2.86Å; T192-A194 PolarHBondContact O-N 2.88Å
193G51Low54Low73 Ų73123 Ų12375%0.75376%0.761SS**  trans-56.9123.6178.200000111.7P191P191-G193 PolarHBondContact O-N 3.28Å; P191-G193 VanDerWaalsContact O-N 3.08Å
194A41.9Very low54.8Low79 Ų79122.9 Ų122.965%0.65376%0.76SS**  trans-157132.8152.800000108.7T192 L196T192-A194 PolarHBondContact O-N 2.88Å; A194-L196 PolarHBondContact O-N 2.94Å; A194-L196 VanDerWaalsContact O-N 3.16Å
195P51.2Low55.8Low137 Ų137122 Ų12289%0.8975%0.749SS**  trans-83.689.8171.533.5-27000107.6
196L46.2Very low56.9Low152 Ų152122.7 Ų122.780%0.79674%0.744SS**  trans-128.2112.5162.1-97.5161.9000108A194 Q198A194-L196 PolarHBondContact O-N 2.94Å; A194-L196 VanDerWaalsContact O-N 3.16Å; L196-Q198 VanDerWaalsContact C-N 3.28Å; L196-Q198 PolarHBondContact O-N 3.43Å
197Q50.8Low58Low192 Ų192123.1 Ų123.190%0.89775%0.748SS**  trans-44.987.5168.5-159.9164.241.100109.5D199Q197-D199 VanDerWaalsContact C-N 3.3Å; Q197-D199 PolarHBondContact O-N 3.32Å; Q197-D199 VanDerWaalsContact O-N 3.08Å
198Q52.4Low59.3Low175 Ų175126.2 Ų126.282%0.81875%0.747SS**  trans-76.794.5166.2-95177.7-14.300106.4L196 M200L196-Q198 VanDerWaalsContact C-N 3.28Å; L196-Q198 PolarHBondContact O-N 3.43Å; Q198-M200 VanDerWaalsContact C-N 3.3Å; Q198-M200 PolarHBondContact O-N 2.88Å
199D49.8Very low60.3Low156 Ų156124.2 Ų124.283%0.83472%0.721SS**  trans-51.199.6160.2-155.711.3000106.7Q197 G201Q197-D199 VanDerWaalsContact C-N 3.3Å; Q197-D199 PolarHBondContact O-N 3.32Å; Q197-D199 VanDerWaalsContact O-N 3.08Å; D199-G201 PolarHBondContact O-N 3.41Å
200M52.9Low61.2Low180 Ų180122.7 Ų122.789%0.88771%0.707SS**  trans-69.791.3176.7-73.7-157.4-168.200106.6Q198Q198-M200 VanDerWaalsContact C-N 3.3Å; Q198-M200 PolarHBondContact O-N 2.88Å
201G66.7Low61.8Low50 Ų50118.6 Ų118.652%0.51570%0.697SS.*PPolyproline II helixtrans-55.4159.7170.600000110.9D199D199-G201 PolarHBondContact O-N 3.41Å
202P76.7Confident62.6Low122 Ų122117 Ų11779%0.79269%0.689SS**PPolyproline II helixtrans-53.9145.7177.623.5-32.8000110.2
203P72.3Confident63.3Low116 Ų116116.5 Ų116.575%0.75368%0.68SS**PPolyproline II helixtrans-54.3145.2-178.423.1-33.4000110.6
204P76.6Confident63.7Low92 Ų92122 Ų12260%0.59769%0.686SS**PPolyproline II helixtrans-57.3147.6-179.324.2-33.4000110.6Q208P204-Q208 HydrophobicContact CB-CB 4.46Å
205S78.2Confident64.6Low67 Ų67122.2 Ų122.247%0.46969%0.688SS.*PPolyproline II helixtrans-66.4153.6177.171.90000110.6D207 Q208 A209S205-D207 PolarHBondContact O-N 3.24Å; S205-Q208 WeakPolarHBondContact O-CB 3.47Å; S205-Q208 PolarHBondContact O-N 3.38Å; S205-A209 PolarHBondContact O-N 2.98Å; S205-A209 VanDerWaalsContact O-N 3.16Å
206Y76.6Confident65.2Low167 Ų167124.7 Ų124.766%0.65569%0.687SS**Hα-helixtrans-53.4-40.8-178.3177.5-95.2000112.9Q208 A209 M210Y206-Q208 VanDerWaalsContact C-N 3.3Å; Y206-Q208 PolarHBondContact O-N 3.45Å; Y206-A209 PolarHBondContact O-N 3.42Å; Y206-M210 HydrophobicContact CD1-CG 4.46Å; Y206-M210 HydrophobicContact CE1-CE 4.49Å; Y206-M210 HydrophobicContact CE1-CG 4.02Å; Y206-M210 HydrophobicContact CE2-CE 4.01Å; Y206-M210 PolarHBondContact O-N 2.94Å; Y206-M210 VanDerWaalsContact O-N 3.07Å; Y206-M210 VanDerWaalsContact OH-CE 3.28Å; Y206-M210 WeakPolarHBondContact OH-CE 3.3Å
207D78.3Confident66.1Low125 Ų125122.2 Ų122.267%0.66868%0.68SS**Hα-helixtrans-66-34.4179.5-60.8-38000112.2S205 M210 S211S205-D207 PolarHBondContact O-N 3.24Å; D207-M210 PolarHBondContact O-N 2.87Å; D207-S211 PolarHBondContact O-N 3.04Å
208Q76.8Confident66.7Low122 Ų122117.5 Ų117.557%0.5767%0.666SS**Hα-helixtrans-69.2-38.4177.3-160.61743.100111.1P204 S205 Y206 S211P204-Q208 HydrophobicContact CB-CB 4.46Å; S205-Q208 WeakPolarHBondContact O-CB 3.47Å; S205-Q208 PolarHBondContact O-N 3.38Å; Y206-Q208 VanDerWaalsContact C-N 3.3Å; Y206-Q208 PolarHBondContact O-N 3.45Å; Q208-S211 PolarHBondContact O-N 3.41Å; Q208-S211 PolarHBondContact O-OG 3.03Å
209A72.5Confident67.1Low50 Ų50115.6 Ų115.641%0.41367%0.666SS.*Hα-helixtrans-68-34.8175.500000112.9S205 Y206 S211 S212S205-A209 PolarHBondContact O-N 2.98Å; S205-A209 VanDerWaalsContact O-N 3.16Å; Y206-A209 PolarHBondContact O-N 3.42Å; A209-S211 VanDerWaalsContact C-N 3.31Å; A209-S211 PolarHBondContact O-N 3.47Å; A209-S212 PolarHBondContact O-OG 3.23Å
210M71Confident67Low99 Ų99117.7 Ų117.749%0.48866%0.664SS.*Hα-helixtrans-71-27.2177-79.6-66.8175.200112.8Y206 D207 S212 I213Y206-M210 HydrophobicContact CD1-CG 4.46Å; Y206-M210 HydrophobicContact CE1-CE 4.49Å; Y206-M210 HydrophobicContact CE1-CG 4.02Å; Y206-M210 HydrophobicContact CE2-CE 4.01Å; Y206-M210 PolarHBondContact O-N 2.94Å; Y206-M210 VanDerWaalsContact O-N 3.07Å; Y206-M210 VanDerWaalsContact OH-CE 3.28Å; Y206-M210 WeakPolarHBondContact OH-CE 3.3Å; D207-M210 PolarHBondContact O-N 2.87Å; M210-S212 PolarHBondContact O-N 3.38Å; M210-I213 HydrophobicContact SD-CD1 3.88Å
211S67.3Low67.6Low82 Ų82114.7 Ų114.757%0.57366%0.656SS**Hα-helixtrans-75.1-18-179.370.80000114.9D207 Q208 A209D207-S211 PolarHBondContact O-N 3.04Å; Q208-S211 PolarHBondContact O-N 3.41Å; Q208-S211 PolarHBondContact O-OG 3.03Å; A209-S211 VanDerWaalsContact C-N 3.31Å; A209-S211 PolarHBondContact O-N 3.47Å
212S62.6Low67.4Low94 Ų94118.2 Ų118.266%0.65767%0.67SS**THydrogen-bonded Turntrans-89.22.4-177.6680000114.7A209 M210 H214A209-S212 PolarHBondContact O-OG 3.23Å; M210-S212 PolarHBondContact O-N 3.38Å; S212-H214 VanDerWaalsContact C-N 3.28Å; S212-H214 PolarHBondContact O-N 3.39Å
213I58.3Low66.2Low117 Ų117117.9 Ų117.960%0.667%0.665SS**THydrogen-bonded Turntrans-83.1-3.7-174.6-59.5174000112.3M210 A215M210-I213 HydrophobicContact SD-CD1 3.88Å; I213-A215 PolarHBondContact O-N 3.42Å
214H57.9Low65.1Low188 Ų188119.5 Ų119.587%0.8767%0.668SS**  trans-83.562.4170.4-72.8-67.9000111.8S212S212-H214 VanDerWaalsContact C-N 3.28Å; S212-H214 PolarHBondContact O-N 3.39Å
215A61.7Low63.9Low84 Ų84120.5 Ų120.569%0.69468%0.683SS**  trans-92.3114.5164.300000108.5I213I213-A215 PolarHBondContact O-N 3.42Å
216E63.7Low62.9Low188 Ų188121.5 Ų121.588%0.87970%0.696SS**PPolyproline II helixtrans-63.6130.6177.6-158.3160161.500109.8
217P65.4Low61.7Low100 Ų100123.4 Ų123.465%0.64971%0.707SS**PPolyproline II helixtrans-67.2143.5-174.525.6-32.9000111.1V219P217-V219 PolarHBondContact O-N 3.12Å
218P62.6Low60.4Low94 Ų94126.1 Ų126.161%0.6172%0.716SS**PPolyproline II helixtrans-65.2126.6179.925-32.2000111.2Y220P218-Y220 HydrophobicContact CB-CE2 4.35Å; P218-Y220 HydrophobicContact CG-CE2 4Å; P218-Y220 WeakPolarHBondContact O-CD2 3.17Å; P218-Y220 PolarHBondContact O-N 3Å
219V61.9Low58.9Low134 Ų134128.5 Ų128.581%0.81273%0.733SS**  trans-82.8112172.7-179.90000108.5P217P217-V219 PolarHBondContact O-N 3.12Å
220Y47.4Very low57.4Low201 Ų201134.8 Ų134.879%0.78879%0.785SS**  trans-84.1116.3175.7-66.7-85.7000110.2P218P218-Y220 HydrophobicContact CB-CE2 4.35Å; P218-Y220 HydrophobicContact CG-CE2 4Å; P218-Y220 WeakPolarHBondContact O-CD2 3.17Å; P218-Y220 PolarHBondContact O-N 3Å
221T65.9Low56.7Low116 Ų116136.6 Ų136.671%0.71280%0.799SS**  trans-85.4132.1166.450.90000110.1T223T221-T223 PolarHBondContact O-N 3.02Å
222P60.8Low56.2Low125 Ų125139.4 Ų139.481%0.81281%0.811SS**  trans-87.3107.9177.931.8-28.7000110.3
223T52Low55.8Low114 Ų114141.9 Ų141.970%0.69982%0.82SS**  trans-148.7135.5161.820.70000112.8T221T221-T223 PolarHBondContact O-N 3.02Å
224D49.8Very low55.7Low151 Ų151143.4 Ų143.481%0.80783%0.833SS**  trans87.848.2153.8-50.9-21000119.6
225A52.1Low55.5Low112 Ų112140.6 Ų140.693%0.92683%0.83SS**  trans-95.363.7150.400000110.8
226A56.7Low55.1Low88 Ų88144.4 Ų144.473%0.72784%0.84SS**  trans-159.164.3171.100000112.5
227K51.8Low54.5Low207 Ų207141.3 Ų141.390%0.984%0.837SS**  trans-166.261.2161.1-114.3173.3-168.8-177.70112.9
228Q49.5Very low53.7Low183 Ų183144.5 Ų144.586%0.85585%0.851SS**SBendtrans-148.689.4157.8-102.4174.72.800106.2
229N46.9Very low52.9Low172 Ų172148.7 Ų148.792%0.9287%0.871SS**  trans16378.1154.4-78.1-19000108.2
230A40.4Very low52.1Low181 Ų181150 Ų150100%1.49688%0.877SS**  trans-148.60154.500000107.5

Retrieved 230 of 230 residues in 33 ms (Link to these results)