A0A077ZDR9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDR9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 435 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
1M79.2Confident87.9Confident187 Ų187110.3 Ų110.392%0.92158%0.576SS**  0-54.60-68-173.581.100113S3 I4 I5M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.89Å; M1-I4 PolarHBondContact O-N 2.9Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-I5 PolarHBondContact O-N 3.28Å
2F80.8Confident88.2Confident163 Ų163103.8 Ų103.872%0.71555%0.551SS**Hα-helixtrans-57.5-39.2-179.3-170.2-96.9000113.6I4 I5 F6F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 3.41Å; F2-I5 PolarHBondContact O-N 3.45Å; F2-F6 HydrophobicContact CE1-CD2 4.41Å; F2-F6 WeakPolarHBondContact O-CB 2.87Å; F2-F6 PolarHBondContact O-N 3.42Å
3S86.2Confident88.3Confident87 Ų87110.4 Ų110.461%0.60856%0.563SS**Hα-helixtrans-59-39.5175.550.90000113.6M1 F6 L7M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.89Å; S3-F6 PolarHBondContact O-N 2.86Å; S3-L7 WeakPolarHBondContact O-CB 3.26Å; S3-L7 PolarHBondContact O-N 2.95Å
4I89.5Confident88.5Confident106 Ų106107.4 Ų107.454%0.54455%0.553SS.*Hα-helixtrans-69.2-44.4178.9-60.2173.7000110.4M1 F2 F6 L7 L8M1-I4 PolarHBondContact O-N 2.9Å; M1-I4 VanDerWaalsContact O-N 3.13Å; F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 3.41Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 3.43Å; I4-L7 PolarHBondContact O-N 3.09Å; I4-L8 HydrophobicContact CG2-CD1 4.3Å; I4-L8 WeakPolarHBondContact O-CG 3.4Å; I4-L8 PolarHBondContact O-N 2.94Å
5I87.7Confident88.7Confident111 Ų111105.7 Ų105.757%0.56954%0.544SS*.Hα-helixtrans-62.2-41.7177.3-62.1171.7000110.3M1 F2 L8 A9M1-I5 PolarHBondContact O-N 3.28Å; F2-I5 PolarHBondContact O-N 3.45Å; I5-L8 PolarHBondContact O-N 3.27Å; I5-A9 PolarHBondContact O-N 3.25Å
6F82.6Confident88.7Confident125 Ų125106.4 Ų106.455%0.54854%0.538SS..Hα-helixtrans-65.6-41.1177.6-156.6-101.7000112F2 S3 I4 A9 I10F2-F6 HydrophobicContact CE1-CD2 4.41Å; F2-F6 WeakPolarHBondContact O-CB 2.87Å; F2-F6 PolarHBondContact O-N 3.42Å; S3-F6 PolarHBondContact O-N 2.86Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 3.43Å; F6-A9 PolarHBondContact O-N 3.27Å; F6-I10 HydrophobicContact CD1-CD1 3.63Å; F6-I10 HydrophobicContact CD1-CG1 4.35Å; F6-I10 HydrophobicContact CE1-CD1 3.68Å; F6-I10 HydrophobicContact CE1-CG1 4.36Å; F6-I10 WeakPolarHBondContact O-CG1 3.32Å; F6-I10 PolarHBondContact O-N 3.12Å
7L93.5Very high88.7Confident103 Ų103103 Ų10354%0.53952%0.523SS..Hα-helixtrans-62.3-45.1175.9-174.963.4000112S3 I4 A9 I10 I11S3-L7 WeakPolarHBondContact O-CB 3.26Å; S3-L7 PolarHBondContact O-N 2.95Å; I4-L7 PolarHBondContact O-N 3.09Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-A9 PolarHBondContact O-N 3.06Å; L7-I10 PolarHBondContact O-N 3.24Å; L7-I11 HydrophobicContact CD1-CD1 4.46Å; L7-I11 HydrophobicContact CG-CD1 4.11Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.18Å
8L94.1Very high88.9Confident109 Ų109107.6 Ų107.657%0.57153%0.533SS*.Hα-helixtrans-62.8-39.4176.6-70.7173.5000112.2I4 I5 I10 I11 A12I4-L8 HydrophobicContact CG2-CD1 4.3Å; I4-L8 WeakPolarHBondContact O-CG 3.4Å; I4-L8 PolarHBondContact O-N 2.94Å; I5-L8 PolarHBondContact O-N 3.27Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-I10 PolarHBondContact O-N 2.77Å; L8-I11 PolarHBondContact O-N 2.88Å; L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 3.38Å
9A87.3Confident89Confident59 Ų59106.1 Ų106.149%0.48852%0.524SS..Hα-helixtrans-64.6-38.1176.100000112.4I5 F6 L7 R13I5-A9 PolarHBondContact O-N 3.25Å; F6-A9 PolarHBondContact O-N 3.27Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-A9 PolarHBondContact O-N 3.06Å; A9-R13 WeakPolarHBondContact O-CB 3.08Å; A9-R13 PolarHBondContact O-N 3.13Å; A9-R13 VanDerWaalsContact O-N 3.09Å
10I92.2Very high88.8Confident82 Ų82108.7 Ų108.742%0.42153%0.528SS..Hα-helixtrans-65.5-47.8174.7-68.5168.2000110.2F6 L7 L8 A12 R13 V14F6-I10 HydrophobicContact CD1-CD1 3.63Å; F6-I10 HydrophobicContact CD1-CG1 4.35Å; F6-I10 HydrophobicContact CE1-CD1 3.68Å; F6-I10 HydrophobicContact CE1-CG1 4.36Å; F6-I10 WeakPolarHBondContact O-CG1 3.32Å; F6-I10 PolarHBondContact O-N 3.12Å; L7-I10 PolarHBondContact O-N 3.24Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-I10 PolarHBondContact O-N 2.77Å; I10-A12 PolarHBondContact O-N 2.03Å; I10-R13 PolarHBondContact O-N 3.04Å; I10-R13 VanDerWaalsContact O-N 3.17Å; I10-V14 HydrophobicContact CG2-CG2 4.34Å; I10-V14 WeakPolarHBondContact O-CG2 3Å; I10-V14 PolarHBondContact O-N 3.42Å
11I94.2Very high88.9Confident81 Ų81111.3 Ų111.342%0.41553%0.533SS..Hα-helixtrans-59.5-46.7179.5-67.5167.5000110.6L7 L8 R13 V14 I15L7-I11 HydrophobicContact CD1-CD1 4.46Å; L7-I11 HydrophobicContact CG-CD1 4.11Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.18Å; L8-I11 PolarHBondContact O-N 2.88Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 3.03Å; I11-V14 PolarHBondContact O-N 3.41Å; I11-V14 VanDerWaalsContact O-N 3.13Å; I11-I15 HydrophobicContact CG2-CD1 3.85Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 WeakPolarHBondContact O-CG1 3.24Å; I11-I15 PolarHBondContact O-N 2.87Å
12A91.3Very high89.4Confident33 Ų33110.7 Ų110.727%0.27352%0.52SS..Hα-helixtrans-59.3-40.4177.200000112.2L8 I10 W16 L49L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 3.38Å; I10-A12 PolarHBondContact O-N 2.03Å; A12-W16 WeakPolarHBondContact O-CB 3.41Å; A12-W16 PolarHBondContact O-N 2.89Å; A12-L49 HydrophobicContact CB-CD2 4.22Å
13R89.7Confident89.8Confident189 Ų189103.8 Ų103.871%0.71349%0.492SS*.Hα-helixtrans-66-40.1175.4-173172.3-179.5143.6-2.3112A9 I10 I11 W16 V17A9-R13 WeakPolarHBondContact O-CB 3.08Å; A9-R13 PolarHBondContact O-N 3.13Å; A9-R13 VanDerWaalsContact O-N 3.09Å; I10-R13 PolarHBondContact O-N 3.04Å; I10-R13 VanDerWaalsContact O-N 3.17Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 3.03Å; R13-W16 PolarHBondContact O-N 3.26Å; R13-V17 VanDerWaalsContact O-CG2 3.31Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.09Å
14V90.8Very high89.6Confident68 Ų68103.2 Ų103.241%0.41249%0.485SS..Hα-helixtrans-64.9-44.6177.6172.20000111.1I10 I11 V17 R18I10-V14 HydrophobicContact CG2-CG2 4.34Å; I10-V14 WeakPolarHBondContact O-CG2 3Å; I10-V14 PolarHBondContact O-N 3.42Å; I11-V14 PolarHBondContact O-N 3.41Å; I11-V14 VanDerWaalsContact O-N 3.13Å; V14-V17 PolarHBondContact O-N 2.95Å; V14-R18 WeakPolarHBondContact O-CG 3.46Å; V14-R18 PolarHBondContact O-N 3.08Å
15I92.1Very high89.6Confident83 Ų83107.2 Ų107.243%0.42649%0.493SS..Hα-helixtrans-59.4-49176.1-66.9168.4000110I11 V17 R18 E19I11-I15 HydrophobicContact CG2-CD1 3.85Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 WeakPolarHBondContact O-CG1 3.24Å; I11-I15 PolarHBondContact O-N 2.87Å; I15-V17 PolarHBondContact O-N 3.19Å; I15-R18 PolarHBondContact O-N 3.3Å; I15-R18 VanDerWaalsContact O-N 3.14Å; I15-E19 PolarHBondContact O-N 2.91Å
16W88Confident89.6Confident116 Ų116106.5 Ų106.544%0.43949%0.487SS..Hα-helixtrans-59.2-42.9178.8-178.682.4000112.9A12 R13 R20A12-W16 WeakPolarHBondContact O-CB 3.41Å; A12-W16 PolarHBondContact O-N 2.89Å; R13-W16 PolarHBondContact O-N 3.26Å; W16-R20 WeakPolarHBondContact O-CB 3.22Å; W16-R20 PolarHBondContact O-N 2.79Å
17V89.1Confident89.6Confident49 Ų49101.4 Ų101.430%0.29747%0.468SS..Hα-helixtrans-65.7-39.7177.1172.60000111.3R13 V14 I15 R21R13-V17 VanDerWaalsContact O-CG2 3.31Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.09Å; V14-V17 PolarHBondContact O-N 2.95Å; I15-V17 PolarHBondContact O-N 3.19Å; V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 WeakPolarHBondContact O-CG 3.41Å; V17-R21 PolarHBondContact O-N 2.95Å
18R91.8Very high89Confident186 Ų186104.6 Ų104.670%0.70248%0.477SS*.Hα-helixtrans-65.1-46.9178-77.4-176.7175.8-178.3-0.5111.8V14 I15 R20 R21 R22V14-R18 WeakPolarHBondContact O-CG 3.46Å; V14-R18 PolarHBondContact O-N 3.08Å; I15-R18 PolarHBondContact O-N 3.3Å; I15-R18 VanDerWaalsContact O-N 3.14Å; R18-R20 PolarHBondContact O-N 2.91Å; R18-R21 PolarHBondContact O-N 3.48Å; R18-R22 WeakPolarHBondContact O-CB 3.45Å; R18-R22 PolarHBondContact O-N 2.86Å
19E91.5Very high88.2Confident78 Ų78102.9 Ų102.936%0.36449%0.487SS..Hα-helixtrans-63.3-42.4177.7-75.6-178.6151.200112.1I15 R21 R22 C23 L45I15-E19 PolarHBondContact O-N 2.91Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 PolarHBondContact O-N 2.95Å; E19-R22 PolarHBondContact O-N 3.01Å; E19-C23 WeakPolarHBondContact O-CB 3.29Å; E19-C23 PolarHBondContact O-N 3.03Å; E19-L45 WeakPolarHBondContact OE2-CD1 3.08Å; E19-L45 WeakPolarHBondContact OE2-CD2 3.45Å
20R84.3Confident87.7Confident159 Ų159102.1 Ų102.160%0.648%0.476SS*.Hα-helixtrans-61.4-42.6176.5-170.4176.3-177.2-161.30.2111.5W16 R18 V24W16-R20 WeakPolarHBondContact O-CB 3.22Å; W16-R20 PolarHBondContact O-N 2.79Å; R18-R20 PolarHBondContact O-N 2.91Å; R20-V24 VanDerWaalsContact O-CG2 3.24Å; R20-V24 WeakPolarHBondContact O-CG2 3.2Å; R20-V24 PolarHBondContact O-N 3.28Å
21R91Very high86.5Confident164 Ų164102.7 Ų102.762%0.61949%0.485SS*.Hα-helixtrans-66-41.9176.3-75.6180-179.3-170.61111.9V17 R18 E19 V24 R25V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 WeakPolarHBondContact O-CG 3.41Å; V17-R21 PolarHBondContact O-N 2.95Å; R18-R21 PolarHBondContact O-N 3.48Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 PolarHBondContact O-N 2.95Å; R21-V24 PolarHBondContact O-N 3.42Å; R21-R25 WeakPolarHBondContact O-CG 3.34Å; R21-R25 PolarHBondContact O-N 3.08Å
22R89.6Confident84.9Confident173 Ų173104.2 Ų104.265%0.65350%0.498SS*.Hα-helixtrans-60.4-48.4176.9-174.1175.9-179.2164.87.5110.8R18 E19 V24 R25 E26R18-R22 WeakPolarHBondContact O-CB 3.45Å; R18-R22 PolarHBondContact O-N 2.86Å; E19-R22 PolarHBondContact O-N 3.01Å; R22-V24 PolarHBondContact O-N 3.24Å; R22-R25 PolarHBondContact O-N 3.27Å; R22-R25 VanDerWaalsContact O-N 3.13Å; R22-E26 WeakPolarHBondContact CG-OE1 3.35Å; R22-E26 IonicContact NE-OE1 3.09Å; R22-E26 PolarHBondContact NE-OE1 3.02Å; R22-E26 VanDerWaalsContact NE-OE1 3.09Å; R22-E26 WeakPolarHBondContact O-CG 3.23Å; R22-E26 PolarHBondContact O-N 3.43Å
23C88.8Confident83.5Confident19 Ų19111.9 Ų111.913%0.12853%0.528CS..Hα-helixtrans-63.1-41.7179-154.90000112.5E19 R25 E26 A27 C38E19-C23 WeakPolarHBondContact O-CB 3.29Å; E19-C23 PolarHBondContact O-N 3.03Å; C23-R25 VanDerWaalsContact C-N 3.29Å; C23-R25 PolarHBondContact O-N 2.69Å; C23-E26 PolarHBondContact O-N 3.44Å; C23-A27 VanDerWaalsContact O-CB 3.32Å; C23-A27 WeakPolarHBondContact O-CB 3.49Å; C23-A27 PolarHBondContact O-N 3.49Å; C23-C38 HydrophobicContact CB-CB 4.07Å; C23-C38 WeakPolarHBondContact CB-SG 3.29Å; C23-C38 PolarHBondContact O-SG 2.8Å; C23-C38 WeakPolarHBondContact SG-CA 2.71Å; C23-C38 WeakPolarHBondContact SG-CB 3.13Å; C23-C38 CovalentContact SG-SG 2.03Å; C23-C38 PolarHBondContact SG-SG 3.4Å
24V83.3Confident81.9Confident75 Ų75108.5 Ų108.546%0.45552%0.52SS..Hα-helixtrans-64.4-33.1176.2171.20000112.1R20 R21 R22 K28R20-V24 VanDerWaalsContact O-CG2 3.24Å; R20-V24 WeakPolarHBondContact O-CG2 3.2Å; R20-V24 PolarHBondContact O-N 3.28Å; R21-V24 PolarHBondContact O-N 3.42Å; R22-V24 PolarHBondContact O-N 3.24Å; V24-K28 WeakPolarHBondContact O-CG 3.38Å; V24-K28 PolarHBondContact O-N 2.98Å
25R89Confident80.2Confident189 Ų189112 Ų11271%0.71353%0.526SS*.Hα-helixtrans-70.1-43.9173.7-71.4-179-161.5175.32.1111.5R21 R22 C23 A27 K28R21-R25 WeakPolarHBondContact O-CG 3.34Å; R21-R25 PolarHBondContact O-N 3.08Å; R22-R25 PolarHBondContact O-N 3.27Å; R22-R25 VanDerWaalsContact O-N 3.13Å; C23-R25 VanDerWaalsContact C-N 3.29Å; C23-R25 PolarHBondContact O-N 2.69Å; R25-A27 VanDerWaalsContact C-N 3.29Å; R25-A27 PolarHBondContact O-N 2.93Å; R25-K28 PolarHBondContact O-N 3.06Å
26E86.9Confident78.8Confident96 Ų96112.8 Ų112.845%0.44953%0.531SS..Hα-helixtrans-61.6-37.8176.1-70.6169.9-172.200111.2R22 C23 K28R22-E26 WeakPolarHBondContact CG-OE1 3.35Å; R22-E26 IonicContact NE-OE1 3.09Å; R22-E26 PolarHBondContact NE-OE1 3.02Å; R22-E26 VanDerWaalsContact NE-OE1 3.09Å; R22-E26 WeakPolarHBondContact O-CG 3.23Å; R22-E26 PolarHBondContact O-N 3.43Å; C23-E26 PolarHBondContact O-N 3.44Å; E26-K28 PolarHBondContact O-N 3.04Å
27A82.2Confident77.3Confident18 Ų18110.4 Ų110.415%0.14953%0.531CS..THydrogen-bonded Turntrans-81-5.4179.700000115.3C23 R25 G29 T30C23-A27 VanDerWaalsContact O-CB 3.32Å; C23-A27 WeakPolarHBondContact O-CB 3.49Å; C23-A27 PolarHBondContact O-N 3.49Å; R25-A27 VanDerWaalsContact C-N 3.29Å; R25-A27 PolarHBondContact O-N 2.93Å; A27-G29 VanDerWaalsContact C-N 3.29Å; A27-T30 PolarHBondContact O-OG1 3.14Å
28K81.3Confident76.3Confident170 Ų170109.5 Ų109.574%0.73953%0.526SS*.THydrogen-bonded Turntrans-76.4-15.5177-90.1-178.2179.1-166.80113.2V24 R25 E26V24-K28 WeakPolarHBondContact O-CG 3.38Å; V24-K28 PolarHBondContact O-N 2.98Å; R25-K28 PolarHBondContact O-N 3.06Å; E26-K28 PolarHBondContact O-N 3.04Å
29G78.3Confident74.7Confident74 Ų74109.8 Ų109.876%0.76353%0.527SS*.SBendtrans-102.9-3.5178.400000115.1A27A27-G29 VanDerWaalsContact C-N 3.29Å
30T75.9Confident73Confident42 Ų42112 Ų11226%0.25854%0.541SS..SBendtrans-99135.9-177.147.10000112.2A27A27-T30 PolarHBondContact O-OG1 3.14Å
31P66.8Low71.6Confident95 Ų95112.3 Ų112.362%0.61754%0.542SS*.  trans-57.4151.4175.423-31.3000110.7E33 Q34P31-E33 PolarHBondContact O-N 3.44Å; P31-Q34 PolarHBondContact O-N 3.39Å
32V61.8Low70Confident113 Ų113107.1 Ų107.169%0.68553%0.531SS*.G310 helixtrans-52-26.7-163.31760000114.1Q34V32-Q34 VanDerWaalsContact C-N 3.32Å; V32-Q34 PolarHBondContact O-N 3.3Å
33E61.6Low68.1Low193 Ų193101.5 Ų101.590%0.90252%0.522SS*.G310 helixtrans-73.5-12.2177.9-71.9-177.9143.800115.3P31P31-E33 PolarHBondContact O-N 3.44Å
34Q56.9Low66.2Low119 Ų119103.6 Ų103.656%0.55654%0.536SS*.G310 helixtrans-109.325.4176.2-72.7-173.86.400113.5P31 V32 P37P31-Q34 PolarHBondContact O-N 3.39Å; V32-Q34 VanDerWaalsContact C-N 3.32Å; V32-Q34 PolarHBondContact O-N 3.3Å; Q34-P37 WeakPolarHBondContact O-CD 3.37Å; Q34-P37 VanDerWaalsContact O-CG 3.26Å; Q34-P37 WeakPolarHBondContact O-CG 3.44Å
35R55.1Low64.5Low142 Ų142102.4 Ų102.454%0.53653%0.527SS..  trans-87.1-5.1178.6-77.5-177.5177.41752.6115.5
36D61.2Low62.4Low99 Ų99103.3 Ų103.353%0.52953%0.531SS..THydrogen-bonded Turntrans-69.8-19.1173.1-93-28.5000118.2C38 R39 L40D36-C38 PolarHBondContact O-N 3.39Å; D36-R39 WeakPolarHBondContact O-CB 3.28Å; D36-R39 PolarHBondContact O-N 3.34Å; D36-L40 PolarHBondContact O-N 3.03Å; D36-L40 VanDerWaalsContact O-N 3.09Å
37P57.5Low60.1Low66 Ų66108.8 Ų108.843%0.42955%0.547SS..Hα-helixtrans-66.3-26.6-176.323.4-28.5000112.6Q34 R39 R41Q34-P37 WeakPolarHBondContact O-CD 3.37Å; Q34-P37 VanDerWaalsContact O-CG 3.26Å; Q34-P37 WeakPolarHBondContact O-CG 3.44Å; P37-R39 VanDerWaalsContact C-N 3.32Å; P37-R41 WeakPolarHBondContact O-CB 3.12Å; P37-R41 PolarHBondContact O-N 3.02Å; P37-R41 VanDerWaalsContact O-N 3.08Å
38C68.4Low58.1Low30 Ų30115 Ų11520%0.20357%0.573CS.*Hα-helixtrans-73.6-24.1173.3-68.30000113.7C23 D36 S42C23-C38 HydrophobicContact CB-CB 4.07Å; C23-C38 WeakPolarHBondContact CB-SG 3.29Å; C23-C38 PolarHBondContact O-SG 2.8Å; C23-C38 WeakPolarHBondContact SG-CA 2.71Å; C23-C38 WeakPolarHBondContact SG-CB 3.13Å; C23-C38 CovalentContact SG-SG 2.03Å; C23-C38 PolarHBondContact SG-SG 3.4Å; D36-C38 PolarHBondContact O-N 3.39Å; C38-S42 WeakPolarHBondContact O-CB 3.37Å; C38-S42 PolarHBondContact O-N 2.77Å; C38-S42 PolarHBondContact O-OG 3.35Å
39R57.7Low55.9Low192 Ų192110.5 Ų110.573%0.72556%0.556SS**Hα-helixtrans-81.9-38.2178.3-150.6177.1-177.7-172-0.4111.1D36 P37 S42 A43D36-R39 WeakPolarHBondContact O-CB 3.28Å; D36-R39 PolarHBondContact O-N 3.34Å; P37-R39 VanDerWaalsContact C-N 3.32Å; R39-S42 PolarHBondContact O-OG 3.04Å; R39-S42 VanDerWaalsContact O-OG 3.08Å; R39-A43 PolarHBondContact O-N 2.02Å
40L56Low53.8Low125 Ų125113.6 Ų113.665%0.65455%0.554SS**Hα-helixtrans-73.5-42.2176.8-72.6166.4000112.9D36 S42 A43 S44D36-L40 PolarHBondContact O-N 3.03Å; D36-L40 VanDerWaalsContact O-N 3.09Å; L40-S42 VanDerWaalsContact C-N 3.35Å; L40-S42 PolarHBondContact O-N 3.13Å; L40-A43 PolarHBondContact O-N 3.36Å; L40-S44 PolarHBondContact O-N 3.18Å
41R55Low51.6Low164 Ų164116.5 Ų116.562%0.61957%0.571SS**Hα-helixtrans-64.8-36.6176.1-80.6-176.7172.3177.2-1.7112.8P37 S44 L45P37-R41 WeakPolarHBondContact O-CB 3.12Å; P37-R41 PolarHBondContact O-N 3.02Å; P37-R41 VanDerWaalsContact O-N 3.08Å; R41-S44 PolarHBondContact O-N 2.99Å; R41-L45 PolarHBondContact O-N 3.46Å
42S56.6Low49.8Very low56 Ų56117 Ų11739%0.39257%0.574SS.*Hα-helixtrans-72.7-26176.554.60000113.8C38 R39 L40 R46C38-S42 WeakPolarHBondContact O-CB 3.37Å; C38-S42 PolarHBondContact O-N 2.77Å; C38-S42 PolarHBondContact O-OG 3.35Å; R39-S42 PolarHBondContact O-OG 3.04Å; R39-S42 VanDerWaalsContact O-OG 3.08Å; L40-S42 VanDerWaalsContact C-N 3.35Å; L40-S42 PolarHBondContact O-N 3.13Å; S42-R46 PolarHBondContact O-N 2.97Å
43A50.6Low48.4Very low55 Ų55116.4 Ų116.446%0.45558%0.582SS.*Hα-helixtrans-74-37170.900000112.5R39 L40 R46R39-A43 PolarHBondContact O-N 2.02Å; L40-A43 PolarHBondContact O-N 3.36Å; A43-R46 PolarHBondContact O-N 3.34Å
44S49.4Very low46.9Very low62 Ų62112 Ų11243%0.43458%0.578SS.*Hα-helixtrans-67.2-46.7175.5-178.30000112.2L40 R41 R46 R47 H48L40-S44 PolarHBondContact O-N 3.18Å; R41-S44 PolarHBondContact O-N 2.99Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.49Å; S44-R47 PolarHBondContact O-N 3.29Å; S44-H48 PolarHBondContact O-CD2 3.28Å; S44-H48 VanDerWaalsContact O-CD2 3.3Å; S44-H48 PolarHBondContact O-N 3.27Å; S44-H48 VanDerWaalsContact O-N 3.14Å
45L45.7Very low45.7Very low51 Ų51108.8 Ų108.827%0.26758%0.577SS.*Hα-helixtrans-60.4-34.5175.5-91.4142.3000112.8E19 R41 R47 H48 L49E19-L45 WeakPolarHBondContact OE2-CD1 3.08Å; E19-L45 WeakPolarHBondContact OE2-CD2 3.45Å; R41-L45 PolarHBondContact O-N 3.46Å; L45-R47 PolarHBondContact O-N 2.95Å; L45-H48 PolarHBondContact O-N 3.02Å; L45-L49 HydrophobicContact CD2-CD1 3.7Å; L45-L49 WeakPolarHBondContact O-CB 3.47Å; L45-L49 PolarHBondContact O-N 2.94Å
46R45.1Very low44.6Very low208 Ų208104.5 Ų104.579%0.78558%0.577SS**Hα-helixtrans-65.1-22.1173.5-107.1-176.8176.3-170.7-0.6114.3S42 A43 S44S42-R46 PolarHBondContact O-N 2.97Å; A43-R46 PolarHBondContact O-N 3.34Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.49Å
47R39.3Very low43.4Very low210 Ų210111 Ų11179%0.79259%0.594SS**Hα-helixtrans-90.8-24.4175.8-73.9-178.4178174.3-0.5112.7S44 L45S44-R47 PolarHBondContact O-N 3.29Å; L45-R47 PolarHBondContact O-N 2.95Å
48H39.7Very low42.2Very low150 Ų150114.3 Ų114.369%0.69461%0.607SS**Hα-helixtrans-100.3-13.5-179.9-68.8-71.9000114.8S44 L45 I50S44-H48 PolarHBondContact O-CD2 3.28Å; S44-H48 VanDerWaalsContact O-CD2 3.3Å; S44-H48 PolarHBondContact O-N 3.27Å; S44-H48 VanDerWaalsContact O-N 3.14Å; L45-H48 PolarHBondContact O-N 3.02Å; H48-I50 VanDerWaalsContact C-N 3.28Å; H48-I50 PolarHBondContact O-N 2.88Å
49L36.4Very low40.5Very low75 Ų75115.7 Ų115.739%0.39362%0.621SS.*  trans-89.424.4170.2-102.9140.7000113.9A12 L45 V51A12-L49 HydrophobicContact CB-CD2 4.22Å; L45-L49 HydrophobicContact CD2-CD1 3.7Å; L45-L49 WeakPolarHBondContact O-CB 3.47Å; L45-L49 PolarHBondContact O-N 2.94Å; L49-V51 HydrophobicContact CD2-CG2 4.21Å; L49-V51 PolarHBondContact O-N 3.14Å; L49-V51 VanDerWaalsContact O-N 3.11Å
50I34.4Very low39.1Very low138 Ų138114.5 Ų114.571%0.70862%0.617SS**  trans-80.474.2151.6-54.4177.4000105.6H48H48-I50 VanDerWaalsContact C-N 3.28Å; H48-I50 PolarHBondContact O-N 2.88Å
51V29.4Very low37.7Very low103 Ų103117.3 Ų117.362%0.62462%0.619SS**  trans-59.3123.4168.7175.50000106.3L49 A53L49-V51 HydrophobicContact CD2-CG2 4.21Å; L49-V51 PolarHBondContact O-N 3.14Å; L49-V51 VanDerWaalsContact O-N 3.11Å; V51-A53 PolarHBondContact O-N 3.44Å; V51-A53 VanDerWaalsContact O-N 3.12Å
52P28.8Very low36.5Very low105 Ų105114.6 Ų114.668%0.68262%0.615SS**  trans-62.7120.6178.327-31.1000106.6A54P52-A54 PolarHBondContact O-N 3.12Å
53A32.5Very low35.2Very low101 Ų101116 Ų11684%0.83562%0.621SS**  trans-62.687.2160.600000106.7V51 G55V51-A53 PolarHBondContact O-N 3.44Å; V51-A53 VanDerWaalsContact O-N 3.12Å; A53-G55 PolarHBondContact O-N 3.36Å
54A29.7Very low34.1Very low101 Ų101118 Ų11884%0.83562%0.622SS**THydrogen-bonded Turntrans-50.1123.9168.100000108.3P52P52-A54 PolarHBondContact O-N 3.12Å
55G30.9Very low33.1Very low52 Ų52120.8 Ų120.854%0.53663%0.631SS.*THydrogen-bonded Turntrans139.9-4.817500000116.6A53 R57 L58A53-G55 PolarHBondContact O-N 3.36Å; G55-R57 VanDerWaalsContact C-N 3.28Å; G55-R57 PolarHBondContact O-N 3.16Å; G55-L58 PolarHBondContact O-N 2.97Å
56G33.4Very low32.5Very low51 Ų51125.4 Ų125.453%0.52665%0.651SS.*Hα-helixtrans-59.4-20.1-16900000117.8W60G56-W60 WeakPolarHBondContact O-CB 3.31Å; G56-W60 PolarHBondContact O-N 3.07Å
57R34.7Very low31.9Very low236 Ų236121.3 Ų121.389%0.89164%0.639SS**Hα-helixtrans-75.6-30.2178.9-76.2-173.4-179.3-175.50.3113.9G55G55-R57 VanDerWaalsContact C-N 3.28Å; G55-R57 PolarHBondContact O-N 3.16Å
58L32.8Very low31.5Very low135 Ų135118 Ų11871%0.70763%0.633SS**Hα-helixtrans-89.5-36.5-177.6-119.5101.2000112.5G55 W60 I62G55-L58 PolarHBondContact O-N 2.97Å; L58-W60 VanDerWaalsContact C-N 3.31Å; L58-W60 PolarHBondContact O-N 3.01Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 2.9Å
59A31.6Very low31.1Very low60 Ų60120.3 Ų120.350%0.49664%0.641SS.*Hα-helixtrans-68.8-30.9176.700000112.2V63A59-V63 VanDerWaalsContact O-CG2 3.26Å; A59-V63 WeakPolarHBondContact O-CG2 3.47Å; A59-V63 PolarHBondContact O-N 3.27Å; A59-V63 VanDerWaalsContact O-N 3.16Å
60W29.9Very low30.8Very low166 Ų166120.5 Ų120.563%0.62965%0.648SS**Hα-helixtrans-66.5-44.6176.5-156.2-87.5000111.9G56 L58 I62 V63 E64G56-W60 WeakPolarHBondContact O-CB 3.31Å; G56-W60 PolarHBondContact O-N 3.07Å; L58-W60 VanDerWaalsContact C-N 3.31Å; L58-W60 PolarHBondContact O-N 3.01Å; W60-I62 VanDerWaalsContact C-N 3.35Å; W60-I62 PolarHBondContact O-N 3.31Å; W60-V63 PolarHBondContact O-N 2.9Å; W60-E64 WeakPolarHBondContact O-CB 3.35Å; W60-E64 PolarHBondContact O-N 3.43Å
61R25.2Very low30.6Very low184 Ų184119.3 Ų119.369%0.69464%0.638SS**Hα-helixtrans-63.7-35177.4-83.7-165.5173.1-172.8-1.3113.8L65R61-L65 WeakPolarHBondContact O-CB 3.39Å; R61-L65 WeakPolarHBondContact O-CD1 3.39Å; R61-L65 WeakPolarHBondContact O-CG 3.34Å; R61-L65 PolarHBondContact O-N 3.42Å
62I29.7Very low30.6Very low107 Ų107118.4 Ų118.455%0.54964%0.641SS.*Hα-helixtrans-77.4-31.9-178.5-64.5170.1000111.3L58 W60 Q66L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 2.9Å; W60-I62 VanDerWaalsContact C-N 3.35Å; W60-I62 PolarHBondContact O-N 3.31Å; I62-Q66 PolarHBondContact O-N 3.35Å
63V29.2Very low30.5Very low85 Ų85117.2 Ų117.252%0.51564%0.641SS.*Hα-helixtrans-75.1-34.7172.4176.30000111.1A59 W60 F67A59-V63 VanDerWaalsContact O-CG2 3.26Å; A59-V63 WeakPolarHBondContact O-CG2 3.47Å; A59-V63 PolarHBondContact O-N 3.27Å; A59-V63 VanDerWaalsContact O-N 3.16Å; W60-V63 PolarHBondContact O-N 2.9Å; V63-F67 HydrophobicContact CG1-CD2 3.99Å; V63-F67 HydrophobicContact CG1-CE2 4.12Å; V63-F67 WeakPolarHBondContact O-CD2 3.47Å; V63-F67 PolarHBondContact O-N 3.33Å
64E28.1Very low30.3Very low99 Ų99116.7 Ų116.746%0.46363%0.631SS.*Hα-helixtrans-69.9-32.2176.6-160.4164.1-142.900112.5W60 Q68W60-E64 WeakPolarHBondContact O-CB 3.35Å; W60-E64 PolarHBondContact O-N 3.43Å; E64-Q68 WeakPolarHBondContact O-CG 3.45Å; E64-Q68 PolarHBondContact O-N 3.28Å
65L29.3Very low30.4Very low119 Ų119119.2 Ų119.262%0.62362%0.623SS**Hα-helixtrans-77.3-26.9177.1-84.6160.3000114.9R61R61-L65 WeakPolarHBondContact O-CB 3.39Å; R61-L65 WeakPolarHBondContact O-CD1 3.39Å; R61-L65 WeakPolarHBondContact O-CG 3.34Å; R61-L65 PolarHBondContact O-N 3.42Å
66Q31.7Very low30.3Very low149 Ų149120.8 Ų120.870%0.69663%0.631SS**Hα-helixtrans-87.2-25.3175.8-81-164.7-20.700113.5I62 S70I62-Q66 PolarHBondContact O-N 3.35Å; Q66-S70 PolarHBondContact O-OG 3.46Å
67F32.7Very low30Very low122 Ų122126.9 Ų126.954%0.53565%0.648SS.*Hα-helixtrans-76.9-24.2175.7-93.5-96.7000113.4V63 K69 F71V63-F67 HydrophobicContact CG1-CD2 3.99Å; V63-F67 HydrophobicContact CG1-CE2 4.12Å; V63-F67 WeakPolarHBondContact O-CD2 3.47Å; V63-F67 PolarHBondContact O-N 3.33Å; F67-K69 PolarHBondContact O-N 3.14Å; F67-F71 AromaticContact CD1-CD2 3.99Å; F67-F71 HydrophobicContact CD1-CD2 3.99Å; F67-F71 HydrophobicContact CD1-CE2 4.38Å; F67-F71 HydrophobicContact CE1-CD2 4.2Å; F67-F71 HydrophobicContact CE1-CE2 4.24Å; F67-F71 WeakPolarHBondContact O-CB 3.43Å; F67-F71 PolarHBondContact O-N 3.32Å
68Q31.6Very low29.7Very low140 Ų140119.8 Ų119.865%0.65464%0.64SS**Hα-helixtrans-73.9-21.3-178.6-80.3-177.1-8.600115.4E64E64-Q68 WeakPolarHBondContact O-CG 3.45Å; E64-Q68 PolarHBondContact O-N 3.28Å
69K30.5Very low29.5Very low199 Ų199117.9 Ų117.987%0.86564%0.643SS**Hα-helixtrans-102.4-14-178.1-74.3-171.4176.2-176.60115.3F67F67-K69 PolarHBondContact O-N 3.14Å
70S30.5Very low29.4Very low78 Ų78120.1 Ų120.155%0.54565%0.653SS.*Hα-helixtrans-113.4-12-17650.60000113.7Q66Q66-S70 PolarHBondContact O-OG 3.46Å
71F29.8Very low29.5Very low113 Ų113119.6 Ų119.650%0.49666%0.657SS.*SBendtrans-94.3-20.4-178.8-142.9-101.4000113.6F67 A73 F75F67-F71 AromaticContact CD1-CD2 3.99Å; F67-F71 HydrophobicContact CD1-CD2 3.99Å; F67-F71 HydrophobicContact CD1-CE2 4.38Å; F67-F71 HydrophobicContact CE1-CD2 4.2Å; F67-F71 HydrophobicContact CE1-CE2 4.24Å; F67-F71 WeakPolarHBondContact O-CB 3.43Å; F67-F71 PolarHBondContact O-N 3.32Å; F71-A73 VanDerWaalsContact C-N 3.34Å; F71-A73 PolarHBondContact O-N 2.81Å; F71-F75 HydrophobicContact CD1-CD2 4.08Å; F71-F75 AromaticContact CD1-CE2 3.88Å; F71-F75 HydrophobicContact CD1-CE2 3.88Å; F71-F75 AromaticContact CE1-CD2 3.92Å; F71-F75 HydrophobicContact CE1-CD2 3.92Å; F71-F75 AromaticContact CE1-CE2 3.28Å; F71-F75 HydrophobicContact CE1-CE2 3.28Å; F71-F75 HydrophobicContact CE1-CZ 4.1Å; F71-F75 AromaticContact CZ-CE2 3.68Å; F71-F75 HydrophobicContact CZ-CE2 3.68Å; F71-F75 HydrophobicContact CZ-CZ 4.34Å
72A29.5Very low29.7Very low84 Ų84117 Ų11769%0.69466%0.662SS**THydrogen-bonded Turntrans-75.4-14.8-179.600000114.6
73A27.6Very low29.5Very low81 Ų81116.2 Ų116.267%0.66967%0.671SS**THydrogen-bonded Turntrans-92.8-9.3178.500000113.8F71F71-A73 VanDerWaalsContact C-N 3.34Å; F71-A73 PolarHBondContact O-N 2.81Å
74S27.8Very low29.6Very low90 Ų90116.1 Ų116.163%0.62967%0.671SS**SBendtrans-106.5-1.4-171.7-600000114.8
75F31.7Very low29.5Very low153 Ų153116.9 Ų116.967%0.67168%0.677SS**SBendtrans-113.47.2177.6-80.6-86.9000114.1F71 M77F71-F75 HydrophobicContact CD1-CD2 4.08Å; F71-F75 AromaticContact CD1-CE2 3.88Å; F71-F75 HydrophobicContact CD1-CE2 3.88Å; F71-F75 AromaticContact CE1-CD2 3.92Å; F71-F75 HydrophobicContact CE1-CD2 3.92Å; F71-F75 AromaticContact CE1-CE2 3.28Å; F71-F75 HydrophobicContact CE1-CE2 3.28Å; F71-F75 HydrophobicContact CE1-CZ 4.1Å; F71-F75 AromaticContact CZ-CE2 3.68Å; F71-F75 HydrophobicContact CZ-CE2 3.68Å; F71-F75 HydrophobicContact CZ-CZ 4.34Å; F75-M77 VanDerWaalsContact C-N 3.33Å
76A28.4Very low29.4Very low86 Ų86115 Ų11571%0.71167%0.674SS**SBendtrans-863.317800000114.3
77M27Very low29.1Very low179 Ų179111.6 Ų111.688%0.88267%0.672SS**SBendtrans-147.455.5-176.5-61.7-169.7-59.300112.7F75F75-M77 VanDerWaalsContact C-N 3.33Å
78A28.9Very low28.9Very low87 Ų87109.2 Ų109.272%0.71967%0.667SS**SBendtrans-162.1102.316500000111.9
79A29.7Very low28.4Very low94 Ų94106.7 Ų106.778%0.77767%0.67SS**  trans52.9111.6155.300000118.6
80P27.9Very low28.4Very low107 Ų107103.6 Ų103.670%0.69566%0.656SS**  trans-75.5130.5171.433.7-29000108.6
81E32.2Very low28.1Very low155 Ų155106.2 Ų106.272%0.72466%0.664SS**  trans169.7113.8145-92.9163.7-153.300110.3
82V30.2Very low28Very low129 Ų129108.3 Ų108.378%0.78268%0.681SS**  trans78.493169-161.90000117.3T84V82-T84 WeakPolarHBondContact CG1-OG1 3.28Å
83A25.5Very low27.9Very low91 Ų91114.2 Ų114.275%0.75269%0.685SS**  trans-96.198.7158.800000109.6
84T30.9Very low27.9Very low83 Ų83117.7 Ų117.751%0.50969%0.687SS.*  trans-88112.2173.7-35.90000110V82V82-T84 WeakPolarHBondContact CG1-OG1 3.28Å
85I26Very low27.9Very low116 Ų116121 Ų12160%0.59570%0.697SS**  trans-96.7113.6170.4-57.2173.7000107.5I101I85-I101 HydrophobicContact CB-CD1 4.46Å
86S28Very low27.7Very low79 Ų79119.7 Ų119.755%0.55270%0.696SS**  trans-103.9106.7170.1-59.70000109.2
87A24.3Very low27.7Very low78 Ų78116.9 Ų116.965%0.64567%0.671SS**  trans-90.8116.5162.800000107.6
88V28.2Very low27.9Very low72 Ų72113.2 Ų113.244%0.43666%0.655SS.*  trans-133110.4171.6-168.10000108.7F90V88-F90 HydrophobicContact CB-CD2 4.4Å; V88-F90 HydrophobicContact CB-CE2 3.85Å; V88-F90 HydrophobicContact CB-CZ 4.44Å; V88-F90 HydrophobicContact CG1-CD2 3.85Å; V88-F90 HydrophobicContact CG1-CE1 4.18Å; V88-F90 HydrophobicContact CG1-CE2 3.24Å; V88-F90 HydrophobicContact CG1-CZ 3.43Å; V88-F90 VanDerWaalsContact CG1-CZ 3.43Å
89A22.7Very low27.9Very low86 Ų86112.5 Ų112.571%0.71164%0.639SS**  trans-77.5128.5169.900000108.8
90F28.7Very low28Very low134 Ų134113.7 Ų113.759%0.58862%0.624SS**  trans-116.792.4172.1-77-74.8000109.9V88 L95V88-F90 HydrophobicContact CB-CD2 4.4Å; V88-F90 HydrophobicContact CB-CE2 3.85Å; V88-F90 HydrophobicContact CB-CZ 4.44Å; V88-F90 HydrophobicContact CG1-CD2 3.85Å; V88-F90 HydrophobicContact CG1-CE1 4.18Å; V88-F90 HydrophobicContact CG1-CE2 3.24Å; V88-F90 HydrophobicContact CG1-CZ 3.43Å; V88-F90 VanDerWaalsContact CG1-CZ 3.43Å; F90-L95 HydrophobicContact CE1-CD2 4.24Å; F90-L95 HydrophobicContact CE1-CG 4.11Å; F90-L95 HydrophobicContact CZ-CD2 4.45Å
91D26.1Very low28.1Very low134 Ų134111.6 Ų111.672%0.71761%0.606SS**  trans-74.5138.2145-170.53.5000107.6R93D91-R93 PolarHBondContact O-N 2.91Å
92N27.8Very low28.2Very low156 Ų156107.2 Ų107.283%0.83459%0.593SS**THydrogen-bonded Turntrans-68.718-159.7-93.1-31.6000115.5
93R25.8Very low28.3Very low209 Ų209106.1 Ų106.179%0.78959%0.586SS**THydrogen-bonded Turntrans-137.9-10.5-168.9-64.4-170.1-174.5-176.32.9117.4D91D91-R93 PolarHBondContact O-N 2.91Å
94H28Very low28.8Very low153 Ų153105.3 Ų105.371%0.70857%0.569SS**  trans-144.2119.6179-59.3-69.8000111.7L96H94-L96 PolarHBondContact O-N 3.33Å
95L27.4Very low29.1Very low160 Ų160108.2 Ų108.284%0.83858%0.577SS**  trans-78.298.1174.5-119.6146.6000108F90F90-L95 HydrophobicContact CE1-CD2 4.24Å; F90-L95 HydrophobicContact CE1-CG 4.11Å; F90-L95 HydrophobicContact CZ-CD2 4.45Å
96L27.6Very low29.9Very low126 Ų126107.5 Ų107.566%0.6658%0.582SS**PPolyproline II helixtrans-76.5138.7171.6-77.6161.9000109.9H94H94-L96 PolarHBondContact O-N 3.33Å
97S28.8Very low30.2Very low26 Ų26109.6 Ų109.618%0.18258%0.583CS.*PPolyproline II helixtrans-55.2154.7-171.745.80000115.7I99 N114 R115S97-I99 PolarHBondContact O-N 3.09Å; S97-N114 PolarHBondContact OG-OD1 3.13Å; S97-R115 WeakPolarHBondContact CB-O 3.35Å
98D31.4Very low30.8Very low102 Ų102115.1 Ų115.155%0.54560%0.596SS.*EExtended strand (participates in β ladder)trans-61.1118.6171.8-70.7-39.5000110.7Y100 R115D98-Y100 HydrophobicContact CB-CD2 4.31Å; D98-Y100 HydrophobicContact CB-CE2 3.56Å; D98-R115 PolarHBondContact O-N 2.91Å
99I29.7Very low31.1Very low73 Ų73114 Ų11437%0.37459%0.591SS.*EExtended strand (participates in β ladder)trans-85125169.6-60.5169000107.9S97 V112 N114S97-I99 PolarHBondContact O-N 3.09Å; I99-V112 HydrophobicContact CG2-CG1 3.56Å; I99-N114 WeakPolarHBondContact CG1-OD1 3.45Å
100Y30.9Very low31.5Very low118 Ų118112.6 Ų112.646%0.46358%0.575SS.*EExtended strand (participates in β ladder)trans-110.2133.8172-65-87.4000110D98 V112 G113 R115D98-Y100 HydrophobicContact CB-CD2 4.31Å; D98-Y100 HydrophobicContact CB-CE2 3.56Å; Y100-V112 WeakPolarHBondContact O-CA 3.28Å; Y100-G113 PolarHBondContact N-O 3.35Å; Y100-G113 PolarHBondContact O-N 3.4Å; Y100-R115 HydrophobicContact CD2-CB 4.43Å; Y100-R115 HydrophobicContact CE2-CB 4.25Å
101I30.9Very low32Very low64 Ų64109.2 Ų109.233%0.32857%0.568SS.*EExtended strand (participates in β ladder)trans-104115.4169.8-55.7175.1000105.8I85 V103 V112I85-I101 HydrophobicContact CB-CD1 4.46Å; I101-V103 HydrophobicContact CG2-CG2 4.44Å; I101-V112 HydrophobicContact CG1-CG2 4.37Å
102S33.6Very low32.3Very low63 Ų63106.9 Ų106.944%0.44156%0.558SS.*EExtended strand (participates in β ladder)trans-104.7128.1170.599.10000108.7S111S102-S111 PolarHBondContact N-O 3.17Å; S102-S111 PolarHBondContact O-N 3.33Å; S102-S111 PolarHBondContact OG-OG 2.78Å
103V32.6Very low32.6Very low106 Ų106101.2 Ų101.264%0.64254%0.537SS*.EExtended strand (participates in β ladder)trans-106.4106.9173.2-177.60000105.2I101I101-V103 HydrophobicContact CG2-CG2 4.44Å
104D35.3Very low32.9Very low74 Ų7496.2 Ų96.240%0.39653%0.526SS..  trans-76.1133.4166.9-158.5-35000107.3S106D104-S106 VanDerWaalsContact CG-OG 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.38Å; D104-S106 PolarHBondContact OD1-N 3.43Å; D104-S106 PolarHBondContact OD1-OG 2.94Å; D104-S106 PolarHBondContact OD2-OG 3.37Å
105Q36.5Very low33.2Very low144 Ų14497.9 Ų97.967%0.67353%0.526SS*.SBendtrans-89.4-12.5175.8-71.2-171.713.600111.9
106S43.3Very low33.4Very low100 Ų10097.1 Ų97.170%0.69952%0.522SS*.SBendtrans-85.3-18.4179.567.60000113.3D104D104-S106 VanDerWaalsContact CG-OG 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.38Å; D104-S106 PolarHBondContact OD1-N 3.43Å; D104-S106 PolarHBondContact OD1-OG 2.94Å; D104-S106 PolarHBondContact OD2-OG 3.37Å
107E34.3Very low33.7Very low124 Ų12496 Ų9658%0.57953%0.525SS*.SBendtrans-129.4137.3173.8-63.9-177.517000106.4S109E107-S109 WeakPolarHBondContact CB-OG 3.01Å; E107-S109 PolarHBondContact O-N 2.98Å; E107-S109 PolarHBondContact OE2-OG 3.11Å
108Q37.4Very low34Very low194 Ų194103.7 Ų103.791%0.90756%0.558SS**SBendtrans-69.746.3172-67.7177.7-11.100111.2
109S34.5Very low34.2Very low47 Ų47107.9 Ų107.933%0.32957%0.574SS.*  trans-115.2130.7-173.670.10000109.7E107E107-S109 WeakPolarHBondContact CB-OG 3.01Å; E107-S109 PolarHBondContact O-N 2.98Å; E107-S109 PolarHBondContact OE2-OG 3.11Å
110C30.8Very low34.3Very low58 Ų58115.7 Ų115.739%0.39260%0.599SS.*EExtended strand (participates in β ladder)trans-109.9116.6173.8-159.70000106.4
111S39.5Very low34.5Very low63 Ų63116 Ų11644%0.44162%0.616SS.*EExtended strand (participates in β ladder)trans-108.6129.6178.259.70000110.5S102S102-S111 PolarHBondContact N-O 3.17Å; S102-S111 PolarHBondContact O-N 3.33Å; S102-S111 PolarHBondContact OG-OG 2.78Å
112V32Very low34.5Very low84 Ų84119.8 Ų119.851%0.50964%0.641SS.*EExtended strand (participates in β ladder)trans-104.8111.9174.5-176.20000107.7I99 Y100 I101I99-V112 HydrophobicContact CG2-CG1 3.56Å; Y100-V112 WeakPolarHBondContact O-CA 3.28Å; I101-V112 HydrophobicContact CG1-CG2 4.37Å
113G34Very low34.3Very low38 Ų38120.4 Ų120.439%0.39266%0.658SS.*EExtended strand (participates in β ladder)trans-110136.2178.100000111.2Y100Y100-G113 PolarHBondContact N-O 3.35Å; Y100-G113 PolarHBondContact O-N 3.4Å
114N32.7Very low34Very low103 Ų103118.8 Ų118.855%0.55166%0.662SS**EExtended strand (participates in β ladder)trans-101.8118.4172.9-128-14.2000108.7S97 I99S97-N114 PolarHBondContact OG-OD1 3.13Å; I99-N114 WeakPolarHBondContact CG1-OD1 3.45Å
115R34.3Very low33.9Very low189 Ų189123.2 Ų123.271%0.71369%0.685SS**EExtended strand (participates in β ladder)trans-9792.3176.1-167.4178.5-176.4-171.51.6109.5S97 D98 Y100 S117S97-R115 WeakPolarHBondContact CB-O 3.35Å; D98-R115 PolarHBondContact O-N 2.91Å; Y100-R115 HydrophobicContact CD2-CB 4.43Å; Y100-R115 HydrophobicContact CE2-CB 4.25Å; R115-S117 PolarHBondContact O-N 3.02Å
116L31.7Very low33.6Very low143 Ų143123 Ų12375%0.74969%0.694SS**  trans-67.2111.6164.4-79159.3000108.2E118L116-E118 PolarHBondContact O-N 3.04Å
117S33.9Very low33Very low103 Ų103122 Ų12272%0.7270%0.699SS**  trans-70.4114.6166.362.40000108.1R115 E119R115-S117 PolarHBondContact O-N 3.02Å; S117-E119 PolarHBondContact O-N 2.72Å
118E34.4Very low33Very low188 Ų188121 Ų12188%0.87971%0.706SS**PPolyproline II helixtrans-51121.8168.6-72177.2146.700110.2L116 R120L116-E118 PolarHBondContact O-N 3.04Å; E118-R120 PolarHBondContact O-N 3.28Å
119E36.3Very low32.8Very low190 Ų190118.3 Ų118.389%0.88870%0.703SS**PPolyproline II helixtrans-55.7122.7168.8-72.8-179140.500109.9S117S117-E119 PolarHBondContact O-N 2.72Å
120R31.1Very low32.6Very low237 Ų237119.4 Ų119.489%0.89472%0.721SS**PPolyproline II helixtrans-88.4118.5161.2-87.3-175.3169.3-169.7-3.3108.6E118 V122E118-R120 PolarHBondContact O-N 3.28Å; R120-V122 PolarHBondContact O-N 2.77Å
121P35Very low32.7Very low124 Ų124123.5 Ų123.581%0.80574%0.74SS**PPolyproline II helixtrans-69.6125.1175.326-30.7000110.6
122V32Very low32.4Very low143 Ų143128.8 Ų128.887%0.86776%0.757SS**PPolyproline II helixtrans-69.5130.3166.8178.60000107.7R120R120-V122 PolarHBondContact O-N 2.77Å
123G28.6Very low32.3Very low77 Ų77129.5 Ų129.579%0.79477%0.766SS**PPolyproline II helixtrans-59.6146.7-173.300000114.9
124G27.6Very low32.1Very low71 Ų71135.8 Ų135.873%0.73279%0.785SS**  trans158.6117.1168.700000112.7
125L31.3Very low31.9Very low167 Ų167142.9 Ų142.987%0.87480%0.804SS**  trans81.895.6154.4-60.5157.6000118.7
126T31.6Very low31.5Very low139 Ų139142.3 Ų142.385%0.85381%0.807SS**  trans7.5122.5131.450.80000117.7
127G31.1Very low31.2Very low79 Ų79139.6 Ų139.681%0.81481%0.805SS**  trans167.3122.5165.300000112.3
128S33.2Very low30.8Very low104 Ų104141 Ų14173%0.72781%0.81SS**  trans-61.6148.6-172.347.90000116.6
129T34Very low30.6Very low138 Ų138140.2 Ų140.285%0.84781%0.806SS**  trans61.9120.1144.153.40000120.1
130G29.9Very low30.3Very low69 Ų69136.3 Ų136.371%0.71180%0.799SS**  109.6109.3124.600000118.1
131N32.4Very low30.2Very low145 Ų145130 Ų13078%0.77579%0.789SS**  trans82.3117.3143.4-69.8-12.5000121.5
132Q33.4Very low30.2Very low174 Ų174130.3 Ų130.381%0.81379%0.791SS**  39133.8121.6-52.5-176.517.200116.3
133S30.1Very low30.1Very low99 Ų99128.5 Ų128.569%0.69278%0.78SS**  cis160.3125.212.746.50000104.8
134E29.2Very low30.2Very low170 Ų170127.8 Ų127.879%0.79476%0.763SS**  trans-143.3106.1156-81.4-167157.400108F136E134-F136 HydrophobicContact CB-CE2 4.41Å
135R28.8Very low30.3Very low251 Ų251132.7 Ų132.795%0.94776%0.761SS**  trans-91.7112.8172.5-77.8-178.6172.9-174.7-2108.1
136F26.5Very low30.4Very low177 Ų177127.1 Ų127.178%0.77674%0.735SS**  trans-85.5111.1166.1-76.7-89.5000109.4E134E134-F136 HydrophobicContact CB-CE2 4.41Å
137A24.4Very low30.5Very low86 Ų86126.7 Ų126.771%0.71172%0.723SS**  trans-83.4115.5166.300000108.5
138V27Very low30.5Very low133 Ų133128.2 Ų128.281%0.80672%0.721SS**  trans-103.1111.3169.5179.30000107.4S140V138-S140 PolarHBondContact O-N 3.4Å
139H29.1Very low30.5Very low172 Ų172127.2 Ų127.280%0.79673%0.727SS**PPolyproline II helixtrans-70123.4172.9-69.4-79000109.5
140S30Very low30.3Very low107 Ų107125.4 Ų125.475%0.74872%0.719SS**PPolyproline II helixtrans-69.2134.8168.844.90000110V138V138-S140 PolarHBondContact O-N 3.4Å
141P30.2Very low30.5Very low106 Ų106126.3 Ų126.369%0.68871%0.713SS**PPolyproline II helixtrans-60.4147.3178.123.7-32000111.6V143P141-V143 PolarHBondContact O-N 2.74Å
142P33.5Very low30.4Very low129 Ų129123.2 Ų123.284%0.83870%0.703SS**PPolyproline II helixtrans-65.3132.7179.426.5-32.4000110.9
143V29.7Very low30.3Very low105 Ų105121.9 Ų121.964%0.63670%0.7SS**PPolyproline II helixtrans-84.3119.1-178.6178.80000109.7P141P141-V143 PolarHBondContact O-N 2.74Å
144S32Very low30.2Very low63 Ų63124 Ų12444%0.44170%0.704SS.*PPolyproline II helixtrans-78.5142.616919.80000111.4
145Y29.4Very low30.2Very low174 Ų174119.3 Ų119.368%0.68269%0.694SS**PPolyproline II helixtrans-56.5134.7-176.1-172.8-93.7000113.2H147Y145-H147 HydrophobicContact CD1-CB 4.43Å; Y145-H147 HydrophobicContact CE1-CB 4.21Å; Y145-H147 AromaticContact CE1-CD2 3.9Å
146C33.2Very low30.1Very low50 Ų50114.6 Ų114.634%0.33869%0.688SS.*PPolyproline II helixtrans-96.1124.8172.5-56.10000110.5C151C146-C151 HydrophobicContact CB-CB 4.25Å; C146-C151 WeakPolarHBondContact CB-SG 3.35Å; C146-C151 WeakPolarHBondContact SG-CB 3.41Å; C146-C151 CovalentContact SG-SG 2.05Å; C146-C151 PolarHBondContact SG-SG 3.04Å
147H33.1Very low30.2Very low130 Ų130113.2 Ų113.260%0.60269%0.687SS**BIsolated β-bridgetrans-111.5131.6171.5-155.9-65000109.3Y145 G149 C150Y145-H147 HydrophobicContact CD1-CB 4.43Å; Y145-H147 HydrophobicContact CE1-CB 4.21Å; Y145-H147 AromaticContact CE1-CD2 3.9Å; H147-G149 PolarHBondContact O-N 3.25Å; H147-C150 PolarHBondContact O-N 3.49Å
148S32.5Very low30.2Very low111 Ų111114.6 Ų114.678%0.77669%0.686SS**THydrogen-bonded Turntrans55.543.7166.436.40000116.1C150S148-C150 VanDerWaalsContact C-N 3.34Å; S148-C150 PolarHBondContact O-N 3.25Å
149G32.9Very low30.1Very low83 Ų83113.6 Ų113.686%0.85668%0.683SS**THydrogen-bonded Turntrans80.18.4169.800000115.8H147H147-G149 PolarHBondContact O-N 3.25Å
150C28.5Very low30.1Very low100 Ų100110.6 Ų110.668%0.67668%0.681SS**BIsolated β-bridgetrans-118129.4169.2-75.40000109.9H147 S148H147-C150 PolarHBondContact O-N 3.49Å; S148-C150 VanDerWaalsContact C-N 3.34Å; S148-C150 PolarHBondContact O-N 3.25Å
151C34.9Very low30Very low87 Ų87110.6 Ų110.659%0.58868%0.678SS**  trans-114.5121168.8-62.20000107.6C146C146-C151 HydrophobicContact CB-CB 4.25Å; C146-C151 WeakPolarHBondContact CB-SG 3.35Å; C146-C151 WeakPolarHBondContact SG-CB 3.41Å; C146-C151 CovalentContact SG-SG 2.05Å; C146-C151 PolarHBondContact SG-SG 3.04Å
152S31.1Very low30Very low81 Ų81114.1 Ų114.157%0.56668%0.683SS**  trans-88.9131167.669.40000109
153I29.8Very low29.7Very low146 Ų146116 Ų11675%0.74968%0.681SS**  trans-105.3104.5165.4-60.2173.8000105A155I153-A155 HydrophobicContact CG2-CB 4.47Å; I153-A155 PolarHBondContact O-N 3.33Å
154D29.1Very low29.7Very low142 Ų142122.3 Ų122.376%0.75969%0.693SS**  trans-71.1104.6166-83.2-36.9000107.5
155A29.4Very low30Very low72 Ų72124.7 Ų124.760%0.59571%0.71SS**  trans-112.775169.700000108.8I153 I157I153-A155 HydrophobicContact CG2-CB 4.47Å; I153-A155 PolarHBondContact O-N 3.33Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 PolarHBondContact O-N 3.23Å
156D26.5Very low30Very low152 Ų152122.8 Ų122.881%0.81372%0.718SS**  trans-64.990.5159.1-90.4-25.9000108.4V158D156-V158 VanDerWaalsContact C-N 3.32Å; D156-V158 PolarHBondContact O-N 3.35Å
157I27.4Very low30.1Very low149 Ų149124 Ų12476%0.76474%0.74SS**  trans-85.184.4167.8-56.6177.8000107.2A155 P159A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 PolarHBondContact O-N 3.23Å; I157-P159 WeakPolarHBondContact O-CD 3.31Å
158V24.9Very low30.1Very low114 Ų114122.7 Ų122.769%0.69175%0.751SS**  trans-65.5121.1164.4178.20000108.1D156 S160D156-V158 VanDerWaalsContact C-N 3.32Å; D156-V158 PolarHBondContact O-N 3.35Å; V158-S160 PolarHBondContact O-N 3.38Å
159P25.8Very low30.4Very low113 Ų113128.9 Ų128.973%0.73476%0.758SS**  trans-82.6117168.631.9-25.7000107.5I157I157-P159 WeakPolarHBondContact O-CD 3.31Å
160S28Very low30.6Very low108 Ų108130.6 Ų130.676%0.75575%0.754SS**  trans-144.6113.1160.4-131.30000112.3V158V158-S160 PolarHBondContact O-N 3.38Å
161P28.8Very low30.8Very low107 Ų107133.5 Ų133.570%0.69576%0.762SS**  trans-83.1127.6164.732.8-25.3000108
162K28.8Very low30.9Very low181 Ų181133.5 Ų133.579%0.78776%0.762SS**  trans166.6127.6135.3-91.5161.8-175.2-174.80112.7
163Q28.9Very low31.2Very low169 Ų169136.4 Ų136.479%0.7977%0.771SS**  trans63.3116.2132.9-68.2172.9-41.700120.5
164R28.5Very low31.6Very low236 Ų236135.8 Ų135.889%0.89177%0.77SS**  trans32.3124.9134.7-58.5-176.8172.9-162.8-2.5116.4
165S37.9Very low31.9Very low114 Ų114135.8 Ų135.880%0.79777%0.77SS**  176.2162.668.5-51.50000109.6
166P30.4Very low32.2Very low133 Ų133137.3 Ų137.386%0.86478%0.776SS**  trans-98.1148.1-164.236.9-30000114.3
167G34.1Very low32.4Very low77 Ų77136.5 Ų136.579%0.79478%0.777SS**  trans170.5121.5166.600000116.2
168A32.9Very low32.6Very low101 Ų101133.4 Ų133.484%0.83577%0.774SS**  trans8992.3147.400000121.5
169R39.8Very low33.1Very low242 Ų242135.9 Ų135.991%0.91378%0.778SS**  41.6129.8128.5-70.9-176.7173.6-166.9-2.3122.3
170P37.9Very low33.3Very low119 Ų119140.5 Ų140.577%0.77378%0.78SS**  trans-102.4164.3171.839.8-31.1000113.3
171L32.9Very low33.6Very low161 Ų161140.7 Ų140.784%0.84378%0.782SS**  trans-167.8130.7163-106.3139000113.4
172S36.2Very low33.7Very low86 Ų86143.3 Ų143.360%0.60179%0.789SS**  trans57.6152.3139.5590000121.2
173D37.9Very low33.8Very low142 Ų142142 Ų14276%0.75979%0.79SS**  cis-168.9154.4-3.5-101.3-22.5000107.5
174D37.2Very low33.7Very low133 Ų133138.3 Ų138.371%0.71178%0.782SS**  trans49.1142.9140.6-77.8-20.8000126.3
175N35.6Very low33.6Very low142 Ų142134.4 Ų134.476%0.75978%0.779SS**  trans83.7116.4143.2-73.1-30.4000120.7
176S35.6Very low33.1Very low104 Ų104135.1 Ų135.173%0.72778%0.778SS**  157.712693.761.60000113.9
177T31Very low33.1Very low136 Ų136134.2 Ų134.283%0.83477%0.772SS**  trans29.7128136.951.70000122.2
178A32.3Very low33Very low84 Ų84136 Ų13669%0.69477%0.772SS**  -178.5116.6126.500000109.6
179Q34.4Very low32.8Very low165 Ų165136.5 Ų136.577%0.77177%0.767SS**  68.8141.3101.6-70.9-172.7-5.800114.3
180R29.6Very low32.3Very low211 Ų211134 Ų13480%0.79677%0.766SS**  cis-177167.10.9-120.9174.9169.7174.8-4.4107.3
181S35.7Very low32Very low112 Ų112136.4 Ų136.478%0.78377%0.766SS**  trans91.2106163.4-48.80000115.3
182L30.2Very low31.7Very low161 Ų161138.1 Ų138.184%0.84377%0.77SS**  cis73.7103.127-125.8171.1000114.8
183L30.6Very low31.3Very low154 Ų154142.8 Ų142.881%0.80678%0.78SS**  trans167.1100.3141.7-90.4151.7000107.8
184S27.5Very low30.6Very low91 Ų91144.7 Ų144.764%0.63678%0.784SS**  71.1136.99178.30000112.5
185L25.6Very low30.3Very low155 Ų155143.8 Ų143.881%0.81279%0.786SS**  cis175.4170.3-4.5-125.1147000103.4
186V28.3Very low30Very low129 Ų129142.4 Ų142.478%0.78278%0.784SS**  trans94.9137.9160.9-166.40000115.3
187P29.6Very low29.3Very low114 Ų114148.4 Ų148.474%0.7479%0.793SS**  -130.1-177.2-98.8271000114.1
188S32.1Very low29Very low114 Ų114149.3 Ų149.380%0.79779%0.791SS**  trans-59.8144.6178.8-163.80000114.3
189P29.5Very low28.4Very low111 Ų111151.1 Ų151.172%0.72179%0.793SS**  -133.4146.6126.535.2-23.6000113.3Q191P189-Q191 PolarHBondContact O-N 2.13Å
190Q28Very low27.9Very low191 Ų191147.9 Ų147.989%0.89380%0.795SS**  trans-43.4127.6166.8-63.6161.2-3200112.3
191Q31.4Very low27.5Very low168 Ų168148.9 Ų148.979%0.78580%0.798SS**  trans-138.6112.6157.3-81.5-171.4-2500110.2P189 F193P189-Q191 PolarHBondContact O-N 2.13Å; Q191-F193 PolarHBondContact O-N 3.06Å
192Q27.2Very low26.8Very low197 Ų197155 Ų15592%0.92180%0.804SS**  trans-54.7123.4162.5-80.3167.9-45.900109.4
193F27.9Very low26.5Very low184 Ų184155.6 Ų155.681%0.80781%0.807SS**  trans-102.4103.5163.1-105.9-92.8000108.4Q191Q191-F193 PolarHBondContact O-N 3.06Å
194E24.3Very low26Very low183 Ų183152.2 Ų152.286%0.85580%0.801SS**  trans-71138152.8-68.9-173.5155.300108.6
195P30.6Very low25.9Very low114 Ų114158.3 Ų158.374%0.7482%0.817SS**  trans-111150.6152.728.9-17.2000111.5
196P28Very low25.8Very low112 Ų112160 Ų16073%0.72782%0.821SS**  trans-85.7151.2-14433.4-36.4000114.7I198P196-I198 PolarHBondContact O-N 3.45Å
197Y21.3Very low25.6Very low230 Ų230156.9 Ų156.990%0.90281%0.814SS**  trans-63.5120.4161.5-78.4-93.4000110.4
198I24.4Very low25.3Very low155 Ų155159.7 Ų159.780%0.79582%0.822SS**  trans-112.6107.2158.3-63.4178.5000108.3P196P196-I198 PolarHBondContact O-N 3.45Å
199V21.2Very low24.9Very low123 Ų123162.9 Ų162.975%0.74582%0.824SS**  trans-74.6117.2169.2175.70000108.4
200A22.6Very low24.6Very low97 Ų97162.8 Ų162.880%0.80283%0.825SS**  trans-120.2117.7159.100000109.3
201R22.3Very low24.6Very low231 Ų231164.5 Ų164.587%0.87282%0.823SS**  trans-63.8154.7-166.4-76167.1162.3174.2-6.2114.8
202R21Very low24.7Very low242 Ų242161.6 Ų161.691%0.91382%0.819SS**  trans-23.2131.5148.7-76.5174.6169.2-177.9-3.6112.9
203L22.3Very low24.6Very low173 Ų173157.5 Ų157.591%0.90681%0.811SS**  trans-157127.5144.3-105.8156.9000110.6
204A21.5Very low24.6Very low82 Ų82153.9 Ų153.968%0.67880%0.804SS**  trans68.780.6160.100000119.5
205F24Very low24.8Very low219 Ų219149.8 Ų149.896%0.96179%0.793SS**  -69.9107.9128.8-88.5-97.3000107.1
206E23.6Very low24.6Very low191 Ų191154.2 Ų154.289%0.89380%0.8SS**  trans-167.3132163.6-111.9168-157.700108.3
207G24.4Very low24.6Very low63 Ų63153.1 Ų153.165%0.64980%0.801SS**  trans10155.5163.200000117.8H209G207-H209 PolarHBondContact O-N 3.45Å; G207-H209 VanDerWaalsContact O-N 3.12Å
208L23.2Very low24.9Very low173 Ų173145.3 Ų145.391%0.90678%0.783SS**  trans-57.6103.8143-95.1151.4000108.2
209H25Very low25.1Very low181 Ų181146.5 Ų146.584%0.83878%0.783SS**  trans-114.8114.7160.2-86.6-75.3000110.2G207G207-H209 PolarHBondContact O-N 3.45Å; G207-H209 VanDerWaalsContact O-N 3.12Å
210C23.4Very low25.5Very low109 Ų109147.7 Ų147.774%0.73679%0.786SS**  trans-64.6149.6170.4-61.30000111.9
211R26.6Very low25.7Very low228 Ų228147 Ų14786%0.8678%0.78SS**  trans94.7152.6159-61.5-174.9167.3-173.8-1.6117.7
212P33.2Very low25.9Very low107 Ų107139.9 Ų139.970%0.69578%0.778SS**  -129.8-171.8-50.733.2-14.8000109.6
213C25Very low26Very low111 Ų111136 Ų13675%0.7578%0.775SS**  trans85.363.8166.7-47.50000116.3P215C213-P215 VanDerWaalsContact O-CD 3.31Å; C213-P215 WeakPolarHBondContact O-CD 3.36Å
214V29Very low26.2Very low108 Ų108134.9 Ų134.966%0.65577%0.774SS**  trans-74.5116.1144.2-175.80000106.8A218V214-A218 HydrophobicContact CG1-CB 3.38Å
215P28.3Very low26.5Very low96 Ų96136.9 Ų136.962%0.62378%0.778SS**  trans-60.1145.2-177.921.9-31000110.8C213 A217 A218C213-P215 VanDerWaalsContact O-CD 3.31Å; C213-P215 WeakPolarHBondContact O-CD 3.36Å; P215-A217 PolarHBondContact O-N 2.98Å; P215-A218 PolarHBondContact O-N 3.28Å; P215-A218 VanDerWaalsContact O-N 3.11Å
216K27.5Very low26.5Very low208 Ų208129.2 Ų129.290%0.90476%0.761SS**THydrogen-bonded Turntrans-42.6-8.8178.1-94.8178.9172.7177.70116.7
217A26.6Very low26.5Very low89 Ų89131.4 Ų131.474%0.73676%0.761SS**THydrogen-bonded Turntrans-82.2-13.1177.500000114.7P215P215-A217 PolarHBondContact O-N 2.98Å
218A28Very low26.6Very low65 Ų65134.6 Ų134.654%0.53777%0.772SS.*THydrogen-bonded Turntrans-88.42.7-175.200000115.7V214 P215V214-A218 HydrophobicContact CG1-CB 3.38Å; P215-A218 PolarHBondContact O-N 3.28Å; P215-A218 VanDerWaalsContact O-N 3.11Å
219F28.6Very low26.7Very low180 Ų180134.4 Ų134.479%0.78976%0.764SS**THydrogen-bonded Turntrans-104.111.7-173.7-90.8-87.7000115.5
220N29.3Very low26.9Very low149 Ų149131.5 Ų131.580%0.79776%0.755SS**SBendtrans-111.426.5-174.8-86.3-19000115.4
221A27Very low27.3Very low83 Ų83133.9 Ų133.969%0.68676%0.76SS**SBendtrans-135.5117.9168.200000109
222G25.6Very low27.2Very low80 Ų80127.5 Ų127.583%0.82575%0.75SS**  trans-66.6159-16300000116.6
223L24.9Very low27.2Very low161 Ų161125.4 Ų125.484%0.84374%0.742SS**  trans79.480.8164-125.890.7000117.5
224V26.3Very low27.6Very low149 Ų149126 Ų12690%0.90374%0.741SS**  trans-110.2108.9150.3177.40000107
225V26.5Very low27.9Very low124 Ų124123 Ų12375%0.75273%0.733SS**  trans-120.7113.5168.3179.50000108.2
226G23.8Very low28.3Very low59 Ų59120.7 Ų120.761%0.60872%0.721SS**SBendtrans114.578.1150.200000117.4
227R24.4Very low29.2Very low236 Ų236115.7 Ų115.789%0.89171%0.705SS**SBend149.582.9123.3-81.5-173.5178.7-172.80.6111.4
228C25.8Very low29.9Very low131 Ų131114.7 Ų114.789%0.88570%0.696SS**  trans-159.878.8139.4-101.40000105.6N230C228-N230 PolarHBondContact O-N 2.95Å
229F25.4Very low30.7Very low168 Ų168115.7 Ų115.774%0.73769%0.692SS**THydrogen-bonded Turntrans-66.2105.6162.9-76.8-94.1000106.1
230N30.2Very low31.6Very low120 Ų120111.3 Ų111.364%0.64267%0.671SS**THydrogen-bonded Turntrans-174.9-4.5155.5-97.9-6.7000114.7C228 C282C228-N230 PolarHBondContact O-N 2.95Å; N230-C282 PolarHBondContact OD1-SG 3.47Å
231D30.6Very low32.7Very low159 Ų159106.5 Ų106.585%0.8565%0.651SS**SBendtrans-114.547.4168.1-73.7-37000111.7A233D231-A233 PolarHBondContact O-N 3.43Å
232C26.3Very low33.5Very low95 Ų95106.2 Ų106.264%0.64264%0.642SS**THydrogen-bonded Turntrans-74.767.3-171.8-70.70000115.1
233A31.6Very low34.6Very low63 Ų63103.6 Ų103.652%0.52161%0.61SS.*THydrogen-bonded Turntrans-142.8-41.6160.100000112.7D231 G235D231-A233 PolarHBondContact O-N 3.43Å; A233-G235 PolarHBondContact O-N 3.12Å
234V33.6Very low36.2Very low122 Ų122100.1 Ų100.174%0.73959%0.589SS**Hα-helixtrans-74.9-26.8-170.1-172.60000113.3
235G36.2Very low37.7Very low47 Ų47103.6 Ų103.649%0.48559%0.586SS.*Hα-helixtrans-79.6-28.8-178.900000114.7A233 L239A233-G235 PolarHBondContact O-N 3.12Å; G235-L239 PolarHBondContact O-N 3.11Å
236A35.1Very low38.7Very low46 Ų46104.2 Ų104.238%0.3858%0.576SS.*Hα-helixtrans-70.8-43.5179.300000110.7A238 L239 R240 V273A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.72Å; A236-L239 PolarHBondContact O-N 3.2Å; A236-R240 WeakPolarHBondContact O-CB 3.48Å; A236-R240 PolarHBondContact O-N 3.3Å; A236-V273 HydrophobicContact CB-CG1 4.42Å
237D46.7Very low40.1Very low103 Ų103102.4 Ų102.455%0.55155%0.553SS**Hα-helixtrans-65.1-36.3177.1-71.8-28000112.8L239 R240 A241D237-L239 VanDerWaalsContact C-N 3.3Å; D237-L239 PolarHBondContact O-N 3.22Å; D237-R240 PolarHBondContact O-N 3.16Å; D237-A241 PolarHBondContact O-N 3.01Å
238A42.5Very low42Very low68 Ų6892.5 Ų92.556%0.56253%0.525SS*.Hα-helixtrans-67.5-28.5177.900000113.3A236 P242A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.72Å; A238-P242 WeakPolarHBondContact O-CD 3.18Å; A238-P242 VanDerWaalsContact O-CG 3.28Å; A238-P242 WeakPolarHBondContact O-CG 3.49Å
239L43.6Very low43.5Very low87 Ų8792.2 Ų92.246%0.45552%0.521SS..Hα-helixtrans-86.4-30.4172.9-74.9167.9000112.1G235 A236 D237 P242 L243G235-L239 PolarHBondContact O-N 3.11Å; A236-L239 PolarHBondContact O-N 3.2Å; D237-L239 VanDerWaalsContact C-N 3.3Å; D237-L239 PolarHBondContact O-N 3.22Å; L239-P242 WeakPolarHBondContact O-CD 3.26Å; L239-L243 HydrophobicContact CB-CD1 4.33Å; L239-L243 VanDerWaalsContact O-CB 3.28Å; L239-L243 WeakPolarHBondContact O-CB 3.41Å; L239-L243 WeakPolarHBondContact O-CD1 3.38Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 2.99Å
240R47.7Very low44.6Very low88 Ų8887.3 Ų87.333%0.33251%0.512SS..Hα-helixtrans-60.2-48.2-179.3-164.8178.2-152.7-179.54.5112.4A236 D237 L243 Q244 V274A236-R240 WeakPolarHBondContact O-CB 3.48Å; A236-R240 PolarHBondContact O-N 3.3Å; D237-R240 PolarHBondContact O-N 3.16Å; R240-L243 PolarHBondContact O-N 3.1Å; R240-Q244 HydrophobicContact CG-CG 4.27Å; R240-Q244 VanDerWaalsContact O-CB 3.28Å; R240-Q244 WeakPolarHBondContact O-CB 3.37Å; R240-Q244 VanDerWaalsContact O-CG 3.29Å; R240-Q244 WeakPolarHBondContact O-CG 3.42Å; R240-Q244 PolarHBondContact O-N 2.85Å; R240-V274 PolarHBondContact NH2-O 2.67Å
241A53Low45.5Very low47 Ų4786 Ų8639%0.38850%0.504SS..Hα-helixtrans-66.3-44-177.100000114D237 R245D237-A241 PolarHBondContact O-N 3.01Å; A241-R245 WeakPolarHBondContact O-CG 3.35Å; A241-R245 PolarHBondContact O-N 2.88Å
242P44.8Very low46.1Very low77 Ų7788 Ų8850%0.550%0.5SS..Hα-helixtrans-63.5-41.6171.7-24.133.8000113.3A238 L239 R245 Y246A238-P242 WeakPolarHBondContact O-CD 3.18Å; A238-P242 VanDerWaalsContact O-CG 3.28Å; A238-P242 WeakPolarHBondContact O-CG 3.49Å; L239-P242 WeakPolarHBondContact O-CD 3.26Å; P242-R245 PolarHBondContact O-N 3.29Å; P242-Y246 WeakPolarHBondContact O-CB 3.46Å; P242-Y246 PolarHBondContact O-N 3.23Å
243L48.4Very low47.2Very low26 Ų2691.3 Ų91.314%0.13650%0.504CS..Hα-helixtrans-66.5-44.4177.9-81162.1000111.3L239 R240 R245 Y246 C247 I266 V274L239-L243 HydrophobicContact CB-CD1 4.33Å; L239-L243 VanDerWaalsContact O-CB 3.28Å; L239-L243 WeakPolarHBondContact O-CB 3.41Å; L239-L243 WeakPolarHBondContact O-CD1 3.38Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 2.99Å; R240-L243 PolarHBondContact O-N 3.1Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 3.38Å; L243-Y246 PolarHBondContact O-N 2.86Å; L243-Y246 VanDerWaalsContact O-N 3.13Å; L243-C247 WeakPolarHBondContact O-CB 2.98Å; L243-C247 PolarHBondContact O-N 2.78Å; L243-I266 HydrophobicContact CD2-CD1 3.67Å; L243-V274 HydrophobicContact CB-CG2 3.73Å; L243-V274 HydrophobicContact CD1-CG2 3.58Å; L243-V274 HydrophobicContact CG-CG2 4.2Å
244Q58.8Low48Very low87 Ų8791.5 Ų91.541%0.40750%0.499SS..Hα-helixtrans-63-33.2174.3-76.8177.7-2000112.8R240 G248 V274R240-Q244 HydrophobicContact CG-CG 4.27Å; R240-Q244 VanDerWaalsContact O-CB 3.28Å; R240-Q244 WeakPolarHBondContact O-CB 3.37Å; R240-Q244 VanDerWaalsContact O-CG 3.29Å; R240-Q244 WeakPolarHBondContact O-CG 3.42Å; R240-Q244 PolarHBondContact O-N 2.85Å; Q244-G248 CarbonylContact O-C 3.56Å; Q244-G248 VanDerWaalsContact O-CA 3.23Å; Q244-G248 WeakPolarHBondContact O-CA 3.39Å; Q244-G248 PolarHBondContact O-N 3.19Å; Q244-V274 HydrophobicContact CG-CG1 4.11Å
245R56.9Low48.5Very low222 Ų22289.3 Ų89.384%0.83849%0.485SS*.Hα-helixtrans-68.1-38.5171.7-78.4-177.9-163.7-169.84.4112.6A241 P242 L243A241-R245 WeakPolarHBondContact O-CG 3.35Å; A241-R245 PolarHBondContact O-N 2.88Å; P242-R245 PolarHBondContact O-N 3.29Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 3.38Å
246Y48.3Very low49Very low138 Ų13898.2 Ų98.254%0.54150%0.504SS..Hα-helixtrans-75.6-37.2179.8-174-104.8000112.2P242 L243 P262 I266P242-Y246 WeakPolarHBondContact O-CB 3.46Å; P242-Y246 PolarHBondContact O-N 3.23Å; L243-Y246 PolarHBondContact O-N 2.86Å; L243-Y246 VanDerWaalsContact O-N 3.13Å; Y246-P262 HydrophobicContact CE1-CB 4.07Å; Y246-P262 VanDerWaalsContact CE1-O 3.25Å; Y246-P262 WeakPolarHBondContact CE1-O 3.44Å; Y246-P262 VanDerWaalsContact O-CG 3.29Å; Y246-P262 WeakPolarHBondContact O-CG 3.4Å; Y246-I266 HydrophobicContact CD1-CD1 4.05Å; Y246-I266 HydrophobicContact CE1-CD1 4.24Å
247C52.4Low49.8Very low20 Ų20105 Ų10514%0.13553%0.525CS..Hα-helixtrans-93.9-10.7-174-86.80000115.3L243 C263L243-C247 WeakPolarHBondContact O-CB 2.98Å; L243-C247 PolarHBondContact O-N 2.78Å; C247-C263 WeakPolarHBondContact CA-SG 3.15Å; C247-C263 HydrophobicContact CB-CB 4.32Å; C247-C263 WeakPolarHBondContact CB-SG 3.22Å; C247-C263 WeakPolarHBondContact SG-CB 3.43Å; C247-C263 CovalentContact SG-SG 2.02Å; C247-C263 PolarHBondContact SG-SG 3.32Å
248G65.1Low49.8Very low28 Ų28106.7 Ų106.729%0.28953%0.53SS..  trans64.9176-162.800000112Q244 A250Q244-G248 CarbonylContact O-C 3.56Å; Q244-G248 VanDerWaalsContact O-CA 3.23Å; Q244-G248 WeakPolarHBondContact O-CA 3.39Å; Q244-G248 PolarHBondContact O-N 3.19Å; G248-A250 PolarHBondContact O-N 2.99Å
249P56Low49.7Very low126 Ų126107.6 Ų107.682%0.81855%0.546SS*.SBendtrans-62.6102.2167.326.7-30.9000108D251P249-D251 PolarHBondContact O-N 2.8Å
250A48.4Very low49.8Very low65 Ų65112.2 Ų112.254%0.53756%0.562SS.*  trans-68.978.8176.700000109.6G248 R252G248-A250 PolarHBondContact O-N 2.99Å; A250-R252 PolarHBondContact O-N 3.39Å
251D50.2Low50.1Low91 Ų91109.1 Ų109.149%0.48755%0.554SS.*  trans-70.2116161.3-172.5-7.7000106.8P249 K253 T254P249-D251 PolarHBondContact O-N 2.8Å; D251-K253 PolarHBondContact O-N 3.05Å; D251-K253 PolarHBondContact OD1-N 2.74Å; D251-T254 WeakPolarHBondContact CB-OG1 3.4Å; D251-T254 PolarHBondContact O-N 2.86Å; D251-T254 PolarHBondContact O-OG1 2.73Å
252R43.4Very low49.8Very low202 Ų202109.9 Ų109.976%0.76256%0.555SS**THydrogen-bonded Turntrans-52.7-18.4-179.9-89.5-179.9166.7-179.6-2.5112.3A250A250-R252 PolarHBondContact O-N 3.39Å
253K49.1Very low50Low164 Ų164106.7 Ų106.771%0.71354%0.535SS*.THydrogen-bonded Turntrans-82-31.1176.6-68.7-178.5178.4178.10114.3D251D251-K253 PolarHBondContact O-N 3.05Å; D251-K253 PolarHBondContact OD1-N 2.74Å
254T47.3Very low50.2Low68 Ų68109.3 Ų109.342%0.41756%0.555SS.*THydrogen-bonded Turntrans-78.4-36-179.318.70000112.4D251 R256 K257 E258D251-T254 WeakPolarHBondContact CB-OG1 3.4Å; D251-T254 PolarHBondContact O-N 2.86Å; D251-T254 PolarHBondContact O-OG1 2.73Å; T254-R256 PolarHBondContact O-N 2.81Å; T254-R256 VanDerWaalsContact O-N 3.12Å; T254-K257 PolarHBondContact O-N 3.26Å; T254-E258 PolarHBondContact O-N 2.85Å
255V44.1Very low49.6Very low76 Ų76111.7 Ų111.746%0.46157%0.571SS.*THydrogen-bonded Turntrans-63.4-19.7177.4-176.10000112.7
256R46.9Very low49.1Very low233 Ų233102.3 Ų102.388%0.87954%0.537SS*.THydrogen-bonded Turntrans-87.6-12.2176.1-80.6-172.3171.6-164.6-1.8114.7T254T254-R256 PolarHBondContact O-N 2.81Å; T254-R256 VanDerWaalsContact O-N 3.12Å
257K51.7Low49Very low190 Ų19099.6 Ų99.683%0.82654%0.536SS*.THydrogen-bonded Turntrans-110.5-25.8-176.9-76.9-171.8174.7-174.30113.8T254T254-K257 PolarHBondContact O-N 3.26Å
258E46.3Very low48.5Very low138 Ų138104.6 Ų104.665%0.64556%0.562SS**SBendtrans-112.3106-179.7-65.4-175.417300108.7T254 F260T254-E258 PolarHBondContact O-N 2.85Å; E258-F260 PolarHBondContact O-N 2.73Å
259G40.8Very low47.1Very low87 Ų87113.8 Ų113.890%0.89759%0.588SS**SBendtrans-6625.4-172.200000116.4
260F46.4Very low46.2Very low183 Ų183111.4 Ų111.480%0.80357%0.568SS**  trans-155.2109.4173.6-137-95.9000109E258E258-F260 PolarHBondContact O-N 2.73Å
261S53.6Low45.7Very low23 Ų23110.6 Ų110.616%0.16155%0.554CS.*  trans-118.3137.8164.281.10000107.7C263 S264S261-C263 PolarHBondContact O-N 3.15Å; S261-C263 PolarHBondContact OG-N 2.74Å; S261-S264 PolarHBondContact O-N 2.97Å; S261-S264 PolarHBondContact O-OG 3.16Å
262P47.4Very low45.3Very low63 Ų63110.3 Ų110.341%0.40955%0.553SS.*THydrogen-bonded Turntrans-56.4-10.7174.520.7-30.8000113.3Y246Y246-P262 HydrophobicContact CE1-CB 4.07Å; Y246-P262 VanDerWaalsContact CE1-O 3.25Å; Y246-P262 WeakPolarHBondContact CE1-O 3.44Å; Y246-P262 VanDerWaalsContact O-CG 3.29Å; Y246-P262 WeakPolarHBondContact O-CG 3.4Å
263C49Very low45.1Very low10 Ų10103.7 Ų103.77%0.06854%0.535CS..THydrogen-bonded Turntrans-84.4-10.4175.7-45.30000114.9C247 S261 D265 I266 L271C247-C263 WeakPolarHBondContact CA-SG 3.15Å; C247-C263 HydrophobicContact CB-CB 4.32Å; C247-C263 WeakPolarHBondContact CB-SG 3.22Å; C247-C263 WeakPolarHBondContact SG-CB 3.43Å; C247-C263 CovalentContact SG-SG 2.02Å; C247-C263 PolarHBondContact SG-SG 3.32Å; S261-C263 PolarHBondContact O-N 3.15Å; S261-C263 PolarHBondContact OG-N 2.74Å; C263-D265 PolarHBondContact O-N 3.48Å; C263-I266 HydrophobicContact CB-CD1 4.38Å; C263-I266 WeakPolarHBondContact O-CB 3.49Å; C263-I266 PolarHBondContact O-N 2.95Å; C263-L271 HydrophobicContact CB-CD2 4.09Å
264S51.2Low44.3Very low81 Ų8196.9 Ų96.957%0.56651%0.507SS*.THydrogen-bonded Turntrans-63.6-21-179.256.50000112.9S261S261-S264 PolarHBondContact O-N 2.97Å; S261-S264 PolarHBondContact O-OG 3.16Å
265D48.1Very low43.8Very low138 Ų13896.3 Ų96.374%0.73851%0.514SS*.THydrogen-bonded Turntrans-88-2.4177-67.7-24.9000113.4C263C263-D265 PolarHBondContact O-N 3.48Å
266I45Very low43.5Very low24 Ų2496.9 Ų96.912%0.12351%0.514CS..SBendtrans-93.4126.8-179.3-56.3178.4000109.2L243 Y246 C263 N268 L270 L271L243-I266 HydrophobicContact CD2-CD1 3.67Å; Y246-I266 HydrophobicContact CD1-CD1 4.05Å; Y246-I266 HydrophobicContact CE1-CD1 4.24Å; C263-I266 HydrophobicContact CB-CD1 4.38Å; C263-I266 WeakPolarHBondContact O-CB 3.49Å; C263-I266 PolarHBondContact O-N 2.95Å; I266-N268 PolarHBondContact O-N 3.13Å; I266-L270 HydrophobicContact CG2-CB 3.58Å; I266-L270 HydrophobicContact CG2-CD1 4.35Å; I266-L271 HydrophobicContact CB-CD1 4.32Å; I266-L271 HydrophobicContact CB-CD2 4.32Å; I266-L271 HydrophobicContact CB-CG 4.14Å; I266-L271 HydrophobicContact CD1-CD2 4.4Å; I266-L271 HydrophobicContact CG2-CD2 4.24Å; I266-L271 HydrophobicContact CG2-CG 3.94Å
267P45.7Very low43Very low81 Ų8191.9 Ų91.953%0.52651%0.51SS..  trans-53.6132.8175.2-22.930.3000111.3R269 L270 L271P267-R269 PolarHBondContact O-N 3.25Å; P267-L270 HydrophobicContact CG-CD1 4.18Å; P267-L270 WeakPolarHBondContact O-CB 3.17Å; P267-L270 PolarHBondContact O-N 3.4Å; P267-L271 PolarHBondContact O-N 2.82Å
268N42.7Very low42.2Very low125 Ų12588 Ų8867%0.66850%0.502SS*.Hα-helixtrans-48.2-32.1-178.6-77.6-20.1000114I266 L270 L271 D272I266-N268 PolarHBondContact O-N 3.13Å; N268-L270 VanDerWaalsContact C-N 3.28Å; N268-L270 PolarHBondContact O-N 3.43Å; N268-L271 PolarHBondContact O-N 2.84Å; N268-L271 VanDerWaalsContact O-N 3.14Å; N268-D272 PolarHBondContact O-N 3.32Å
269R35.1Very low41.2Very low221 Ų22190.4 Ų90.483%0.83451%0.513SS*.Hα-helixtrans-64.9-25.2176.8-64.1-175.8179.3-172.1-0.7114.6P267P267-R269 PolarHBondContact O-N 3.25Å
270L36.8Very low40.7Very low77 Ų7789.1 Ų89.140%0.40349%0.494SS..Hα-helixtrans-85.2-29.5173.3-85.6157.9000111.6I266 P267 N268I266-L270 HydrophobicContact CG2-CB 3.58Å; I266-L270 HydrophobicContact CG2-CD1 4.35Å; P267-L270 HydrophobicContact CG-CD1 4.18Å; P267-L270 WeakPolarHBondContact O-CB 3.17Å; P267-L270 PolarHBondContact O-N 3.4Å; N268-L270 VanDerWaalsContact C-N 3.28Å; N268-L270 PolarHBondContact O-N 3.43Å
271L37.9Very low39.8Very low47 Ų4785 Ų8525%0.24649%0.485CS..Hα-helixtrans-73.7-31.5173.3-67.9168.3000112C263 I266 P267 N268 V273 V274 G275C263-L271 HydrophobicContact CB-CD2 4.09Å; I266-L271 HydrophobicContact CB-CD1 4.32Å; I266-L271 HydrophobicContact CB-CD2 4.32Å; I266-L271 HydrophobicContact CB-CG 4.14Å; I266-L271 HydrophobicContact CD1-CD2 4.4Å; I266-L271 HydrophobicContact CG2-CD2 4.24Å; I266-L271 HydrophobicContact CG2-CG 3.94Å; P267-L271 PolarHBondContact O-N 2.82Å; N268-L271 PolarHBondContact O-N 2.84Å; N268-L271 VanDerWaalsContact O-N 3.14Å; L271-V273 PolarHBondContact O-N 3.24Å; L271-V274 WeakPolarHBondContact O-CB 3.19Å; L271-V274 PolarHBondContact O-N 3.47Å; L271-G275 PolarHBondContact O-N 3.05Å; L271-G275 VanDerWaalsContact O-N 3.07Å
272D41.8Very low38.4Very low86 Ų8689.1 Ų89.146%0.4651%0.513SS..Hα-helixtrans-62.8-28.3173.7-78.2-28.6000112.8N268 V274 N276N268-D272 PolarHBondContact O-N 3.32Å; D272-V274 VanDerWaalsContact C-N 3.3Å; D272-N276 PolarHBondContact O-N 3.05Å; D272-N276 VanDerWaalsContact O-N 3.16Å
273V39.6Very low37.3Very low63 Ų6390.4 Ų90.438%0.38252%0.524SS..Hα-helixtrans-72.4-24.5173.9179.50000111.8A236 L271A236-V273 HydrophobicContact CB-CG1 4.42Å; L271-V273 PolarHBondContact O-N 3.24Å
274V32.6Very low36.3Very low21 Ų2199 Ų9913%0.12756%0.56CS.*Hα-helixtrans-86.3-29177.7-177.10000111.2R240 L243 Q244 L271 D272R240-V274 PolarHBondContact NH2-O 2.67Å; L243-V274 HydrophobicContact CB-CG2 3.73Å; L243-V274 HydrophobicContact CD1-CG2 3.58Å; L243-V274 HydrophobicContact CG-CG2 4.2Å; Q244-V274 HydrophobicContact CG-CG1 4.11Å; L271-V274 WeakPolarHBondContact O-CB 3.19Å; L271-V274 PolarHBondContact O-N 3.47Å; D272-V274 VanDerWaalsContact C-N 3.3Å
275G36.3Very low35.2Very low55 Ų55106.4 Ų106.457%0.56758%0.576SS**Hα-helixtrans-98.4-19.7-171.300000117.3L271L271-G275 PolarHBondContact O-N 3.05Å; L271-G275 VanDerWaalsContact O-N 3.07Å
276N39Very low34.2Very low88 Ų88105.5 Ų105.547%0.47158%0.58SS.*  trans-128.3127.8-176.3-72.5-31.3000112.3D272 V278D272-N276 PolarHBondContact O-N 3.05Å; D272-N276 VanDerWaalsContact O-N 3.16Å; N276-V278 VanDerWaalsContact C-N 3.29Å; N276-V278 HydrophobicContact CB-CG2 3.97Å; N276-V278 PolarHBondContact O-N 3.27Å
277T35.6Very low33.3Very low129 Ų129108.9 Ų108.979%0.79161%0.611SS**  trans-68.884.7163.843.90000108.7E279T277-E279 PolarHBondContact O-N 3.2Å; T277-E279 VanDerWaalsContact O-N 3.12Å
278V34.8Very low32.5Very low107 Ų107110.7 Ų110.765%0.64862%0.621SS**  trans-81.792.6178.4-172.80000109.1N276 A280N276-V278 VanDerWaalsContact C-N 3.29Å; N276-V278 HydrophobicContact CB-CG2 3.97Å; N276-V278 PolarHBondContact O-N 3.27Å; V278-A280 HydrophobicContact CG1-CB 3.93Å; V278-A280 PolarHBondContact O-N 3.03Å; V278-A280 VanDerWaalsContact O-N 3.16Å
279E26.8Very low31.7Very low189 Ų189111.2 Ų111.288%0.88363%0.629SS**  trans-6597.3153.3-72.6-176.7155.800107.7T277 P281T277-E279 PolarHBondContact O-N 3.2Å; T277-E279 VanDerWaalsContact O-N 3.12Å; E279-P281 WeakPolarHBondContact O-CD 3.47Å
280A28.2Very low31.8Very low60 Ų60103.6 Ų103.650%0.49662%0.619SS.*  trans-105.6107.9174.400000110.3V278V278-A280 HydrophobicContact CG1-CB 3.93Å; V278-A280 PolarHBondContact O-N 3.03Å; V278-A280 VanDerWaalsContact O-N 3.16Å
281P27.8Very low31.5Very low96 Ų96108.2 Ų108.262%0.62364%0.644SS**  trans-67.4147.9176.125.6-32000112.4E279 S283E279-P281 WeakPolarHBondContact O-CD 3.47Å; P281-S283 PolarHBondContact O-N 2.78Å
282C24.3Very low31.1Very low111 Ų111116.3 Ų116.375%0.7567%0.671SS**SBendtrans-6863.6178.9-66.50000113.5N230N230-C282 PolarHBondContact OD1-SG 3.47Å
283S26.1Very low30.4Very low89 Ų89120.7 Ų120.762%0.62269%0.689SS**  trans-147100.8168.665.20000110.2P281P281-S283 PolarHBondContact O-N 2.78Å
284F27.9Very low29.8Very low192 Ų192124.4 Ų124.484%0.84271%0.706SS**  trans-119.1109.4164.2-82.9-81000110.1
285R26.3Very low29.6Very low236 Ų236135 Ų13589%0.89174%0.744SS**  trans-59.2149.3166.5-69.2176.4172.9-169.2-2.8109.7A287R285-A287 PolarHBondContact O-N 3.49Å
286S28.1Very low29.2Very low119 Ų119142.3 Ų142.383%0.83276%0.755SS**  trans-36.7126.5176.6520000114.5
287A26.4Very low28.5Very low94 Ų94149.7 Ų149.778%0.77778%0.777SS**  trans-100.2120.5163.900000108.8R285R285-A287 PolarHBondContact O-N 3.49Å
288T27.5Very low28Very low120 Ų120151.6 Ų151.674%0.73678%0.776SS**  trans-73.1138.7175.523.10000111
289V27.9Very low27.6Very low135 Ų135154.4 Ų154.482%0.81879%0.786SS**  trans-122.999.1170.6179.40000106.9
290G36.4Very low27.7Very low61 Ų61149 Ų14963%0.62977%0.768SS**THydrogen-bonded Turntrans69.9-167.2-178.200000115.3R292G290-R292 VanDerWaalsContact C-N 3.28Å; G290-R292 PolarHBondContact O-N 3.18Å
291D31.1Very low27.6Very low175 Ų175151.9 Ų151.994%0.93679%0.785SS**THydrogen-bonded Turntrans-80.812.2-173.8-71.5-27.1000115.4
292R28Very low27.5Very low217 Ų217156 Ų15682%0.81980%0.798SS**  trans-109.8108.7-177-64.7-169.6-170.4-174.44.4111.9G290 L294G290-R292 VanDerWaalsContact C-N 3.28Å; G290-R292 PolarHBondContact O-N 3.18Å; R292-L294 PolarHBondContact O-N 3.47Å
293H28.5Very low27.7Very low178 Ų178154.2 Ų154.282%0.82480%0.799SS**  trans-63.995.9167.6-86.2-88.7000111R295H293-R295 PolarHBondContact O-N 3.06Å
294L26.9Very low27.5Very low140 Ų140156.6 Ų156.673%0.73381%0.814SS**  trans-77.898.2164.8-73169.3000109.2R292 Y296R292-L294 PolarHBondContact O-N 3.47Å; L294-Y296 HydrophobicContact CB-CD2 4.25Å; L294-Y296 HydrophobicContact CB-CE2 4.15Å; L294-Y296 PolarHBondContact O-N 3.3Å; L294-Y296 VanDerWaalsContact O-N 3.11Å
295R27Very low27.7Very low245 Ų245154.1 Ų154.193%0.92582%0.815SS**  trans-69.597.6168.6-73.8-176.9178.8-178.3-0.2109.4H293H293-R295 PolarHBondContact O-N 3.06Å
296Y27.7Very low27.7Very low207 Ų207154.4 Ų154.481%0.81282%0.816SS**  trans-83.1114.3164.7-86.1-90.6000109.5L294L294-Y296 HydrophobicContact CB-CD2 4.25Å; L294-Y296 HydrophobicContact CB-CE2 4.15Å; L294-Y296 PolarHBondContact O-N 3.3Å; L294-Y296 VanDerWaalsContact O-N 3.11Å
297R26.2Very low27.8Very low244 Ų244159.8 Ų159.892%0.92182%0.818SS**  trans-74.7124.6168.8-111.7-178.3179-179.5-0.5108.9
298H25Very low27.8Very low168 Ų168161 Ų16178%0.77882%0.816SS**  trans-63.5129.2179.2-167.8-108.2000111.5
299I26.6Very low27.8Very low167 Ų167164.6 Ų164.686%0.85682%0.824SS**  trans-111.4110.7158.3-61.1177000105.8
300S27.5Very low27.7Very low74 Ų74169 Ų16952%0.51783%0.826SS.*  trans-67.6128.6-176.463.30000111.4M302S300-M302 PolarHBondContact O-N 3.2Å
301S25.7Very low27.4Very low122 Ų122175.2 Ų175.285%0.85384%0.839SS**  trans-77.7107.3164.362.90000109.9
302M26.4Very low27.2Very low182 Ų182178.3 Ų178.390%0.89784%0.837SS**  trans-87.7137.6158.8-84.6-166.7-89.200109.1S300S300-M302 PolarHBondContact O-N 3.2Å
303G27.7Very low27Very low73 Ų73179.7 Ų179.775%0.75384%0.842SS**  trans120.849.8156.100000117.7
304C22.9Very low26.9Very low139 Ų139178 Ų17894%0.93984%0.844SS**  trans-96.8103.3154.8-113.30000108.6
305T31.6Very low26.9Very low141 Ų141176 Ų17687%0.86584%0.842SS**  trans-131.7134.6165.242.90000111.8
306R27.2Very low27Very low242 Ų242171.8 Ų171.891%0.91384%0.838SS**  trans-67.5160.2-176.3-72.4170.1164.6-179.3-5.5113.4
307R29.1Very low27Very low231 Ų231167.7 Ų167.787%0.87283%0.834SS**  trans115.499.2160.5-70.1178.5173.6-175.3-1.3112.6
308T27.7Very low27.2Very low121 Ų121161.4 Ų161.474%0.74283%0.828SS**  5397.789.457.40000113.2
309E27.5Very low27.3Very low194 Ų194164.8 Ų164.891%0.90783%0.834SS**  trans-162.3141140.4-114.3164-167.900112.2
310R25.1Very low27.3Very low227 Ų227166 Ų16686%0.85784%0.836SS**  trans-79.7132.5-173.5-62.9162.5163.7178.2-5.3109.1
311H29.4Very low27.4Very low193 Ų193168 Ų16889%0.89485%0.847SS**  trans-153.4151.2149.5-86.9-69.3000112.6
312R27Very low27.4Very low239 Ų239169.9 Ų169.990%0.90285%0.846SS**  trans-94.9150.2-154.6-164179.3-169.8178.21.6111.3
313W24.6Very low27.4Very low246 Ų246172.1 Ų172.193%0.93284%0.844SS**  trans-71.3139179.7-70.560.6000112.5
314V26.1Very low27.4Very low143 Ų143174.1 Ų174.187%0.86784%0.844SS**  trans-134.5123.5149.1-178.50000107.5
315S27.8Very low27.5Very low97 Ų97176.5 Ų176.568%0.67884%0.839SS**  trans-74.5138.4174.7510000110.4
316D27.7Very low27.4Very low158 Ų158175.3 Ų175.385%0.84583%0.834SS**  trans-134.5133.6148.9-135.7-18000112.4
317T28.8Very low27.3Very low120 Ų120171.4 Ų171.474%0.73683%0.826SS**  trans-90118.1-170.133.80000109.9
318S28.9Very low27Very low113 Ų113166.2 Ų166.279%0.7982%0.815SS**  trans179.3145.6144.546.80000110
319R27.2Very low27Very low238 Ų238170.5 Ų170.590%0.89882%0.817SS**  trans87.186-173-52.1-176.7-179.6-159.3-1.6113.8P321R319-P321 VanDerWaalsContact O-CD 3.23Å; R319-P321 WeakPolarHBondContact O-CD 3.34Å
320Q27.9Very low27Very low194 Ų194165.3 Ų165.391%0.90780%0.795SS**PPolyproline II helixtrans-59.8118.4164.2-70.9-177.3-4.600109.4
321P28.8Very low27Very low115 Ų115160.7 Ų160.775%0.74779%0.792SS**PPolyproline II helixtrans-72.9130.9164.528.7-29.4000108.6R319 R323R319-P321 VanDerWaalsContact O-CD 3.23Å; R319-P321 WeakPolarHBondContact O-CD 3.34Å; P321-R323 PolarHBondContact O-N 2.93Å; P321-R323 VanDerWaalsContact O-N 3.1Å
322I26Very low26.8Very low161 Ų161153.8 Ų153.883%0.82677%0.773SS**PPolyproline II helixtrans-47.8118.1164.1-63.7166.8000106.6P324I322-P324 WeakPolarHBondContact O-CD 3.43Å; I322-P324 VanDerWaalsContact O-N 3.08Å
323R26.3Very low27Very low229 Ų229147.7 Ų147.786%0.86476%0.764SS**  trans-61.1113.3177.5-70.2-176.7-179.5-168.40.5107.8P321 F325P321-R323 PolarHBondContact O-N 2.93Å; P321-R323 VanDerWaalsContact O-N 3.1Å; R323-F325 PolarHBondContact O-N 2.81Å
324P28.2Very low27.2Very low115 Ų115141.3 Ų141.375%0.74774%0.743SS**  trans-63.9132.1169.426.9-30.6000107.7I322I322-P324 WeakPolarHBondContact O-CD 3.43Å; I322-P324 VanDerWaalsContact O-N 3.08Å
325F23.5Very low27.2Very low189 Ų189141.8 Ų141.883%0.82974%0.739SS**  trans-47.8137.4168.6-81.9-102.2000109.3R323 Q327R323-F325 PolarHBondContact O-N 2.81Å; F325-Q327 VanDerWaalsContact C-N 3.26Å; F325-Q327 PolarHBondContact O-N 3.3Å
326P29.4Very low27Very low116 Ų116140.1 Ų140.175%0.75374%0.737SS**  trans-66.192.3169.526.3-30.2000108.6L328P326-L328 PolarHBondContact O-N 3.06Å; P326-L328 VanDerWaalsContact O-N 3.11Å
327Q25.1Very low27.1Very low161 Ų161142.2 Ų142.275%0.75273%0.733SS**  trans-62.7107.1160.4-80.6-179.1-15.400106.7F325 W329F325-Q327 VanDerWaalsContact C-N 3.26Å; F325-Q327 PolarHBondContact O-N 3.3Å; Q327-W329 VanDerWaalsContact O-CD1 3.28Å; Q327-W329 PolarHBondContact O-N 3.42Å
328L24.4Very low27.4Very low121 Ų121141.2 Ų141.263%0.63472%0.724SS**  trans-76.5114.9177-143.8105.7000108.2P326 L330P326-L328 PolarHBondContact O-N 3.06Å; P326-L328 VanDerWaalsContact O-N 3.11Å; L328-L330 PolarHBondContact O-N 3.03Å
329W26.2Very low27.7Very low212 Ų212140.3 Ų140.380%0.80372%0.715SS**  trans-78.7115.2174.2-66.873.2000109.1Q327 V331Q327-W329 VanDerWaalsContact O-CD1 3.28Å; Q327-W329 PolarHBondContact O-N 3.42Å; W329-V331 HydrophobicContact CB-CG2 4.12Å; W329-V331 PolarHBondContact O-N 3.44Å
330L27.4Very low28.3Very low85 Ų85135.3 Ų135.345%0.44571%0.706SS.*  trans-75.2101.3166.5-85.2141.8000108.3L328 L398 L424L328-L330 PolarHBondContact O-N 3.03Å; L330-L398 HydrophobicContact CD2-CD2 4.15Å; L330-L424 HydrophobicContact CB-CD1 3.96Å; L330-L424 HydrophobicContact CD1-CB 3.98Å; L330-L424 HydrophobicContact CD1-CD1 4.01Å; L330-L424 HydrophobicContact CD1-CD2 4.07Å; L330-L424 HydrophobicContact CD1-CG 4.23Å; L330-L424 HydrophobicContact CD2-CD1 4.21Å; L330-L424 HydrophobicContact CG-CD1 4.28Å
331V25.2Very low28.6Very low130 Ų130133.2 Ų133.279%0.78870%0.696SS**  trans-116.3109.1173.4-173.60000108.4W329W329-V331 HydrophobicContact CB-CG2 4.12Å; W329-V331 PolarHBondContact O-N 3.44Å
332G25.8Very low29Very low47 Ų47134.4 Ų134.449%0.48570%0.695SS.*  trans-131.6134.1165.700000109F334G332-F334 PolarHBondContact O-N 3.49Å
333P30.4Very low29.3Very low112 Ų112131.9 Ų131.973%0.72769%0.689SS**  trans-71.6118.5-179.926.7-31.6000110.9I335P333-I335 PolarHBondContact O-N 3.47Å
334F30Very low29.5Very low112 Ų112133.1 Ų133.149%0.49169%0.694SS.*  trans-82107.7165.4-71-80.3000108.8G332 I420G332-F334 PolarHBondContact O-N 3.49Å; F334-I420 HydrophobicContact CD1-CD1 3.96Å; F334-I420 HydrophobicContact CE1-CB 4.33Å; F334-I420 HydrophobicContact CE1-CD1 3.12Å; F334-I420 HydrophobicContact CE1-CG1 4.28Å; F334-I420 HydrophobicContact CE1-CG2 4.47Å; F334-I420 HydrophobicContact CE2-CB 3.93Å; F334-I420 HydrophobicContact CE2-CD1 4.26Å; F334-I420 HydrophobicContact CE2-CG2 4.07Å; F334-I420 HydrophobicContact CZ-CB 3.59Å; F334-I420 HydrophobicContact CZ-CD1 3.32Å; F334-I420 HydrophobicContact CZ-CG1 4.03Å; F334-I420 HydrophobicContact CZ-CG2 3.53Å
335I26Very low29.6Very low153 Ų153130.3 Ų130.379%0.78568%0.681SS**  trans-123.9117.3169-58.8175.5000106.8P333P333-I335 PolarHBondContact O-N 3.47Å
336G24.1Very low30.1Very low61 Ų61129.5 Ų129.563%0.62968%0.679SS**SBendtrans9587.5162.600000116.5
337R28.5Very low30.3Very low202 Ų202127.4 Ų127.476%0.76267%0.667SS**  trans157.9143.2134.8-88.5-178.5178.7-167.6-3.9109.7A391R337-A391 VanDerWaalsContact NH2-CB 3.26Å
338D35.3Very low30.8Very low100 Ų100123.9 Ų123.954%0.53565%0.653SS.*  trans-49128.8177.8-125.4-26.7000111D340 H341D338-D340 PolarHBondContact O-N 3.38Å; D338-D340 VanDerWaalsContact O-N 3.1Å; D338-H341 PolarHBondContact O-N 3.44Å
339P35.5Very low31.4Very low93 Ų93123.2 Ų123.260%0.60465%0.646SS**G310 helixtrans-59.3-17.3176.122.6-32.2000113.3H341P339-H341 VanDerWaalsContact C-N 3.3Å; P339-H341 PolarHBondContact O-N 3.28Å
340D39.3Very low32.3Very low133 Ų133113.3 Ų113.371%0.71161%0.609SS**G310 helixtrans-822.4-175.7-63.8-27000114.8D338D338-D340 PolarHBondContact O-N 3.38Å; D338-D340 VanDerWaalsContact O-N 3.1Å
341H35Very low33Very low151 Ų151113.5 Ų113.570%0.69961%0.614SS**G310 helixtrans-115.420.6-177.4-68.7-35.9000115.4D338 P339 P343D338-H341 PolarHBondContact O-N 3.44Å; P339-H341 VanDerWaalsContact C-N 3.3Å; P339-H341 PolarHBondContact O-N 3.28Å; H341-P343 WeakPolarHBondContact O-CD 3.31Å
342L36.5Very low34.1Very low140 Ų140108.7 Ų108.773%0.73359%0.591SS**  trans-84.5114.8170.3-72168.2000110R344L342-R344 PolarHBondContact O-N 3.49Å
343P32.4Very low35.2Very low108 Ų108113.7 Ų113.770%0.70160%0.602SS**  trans-59.6136.5176.124.1-31.7000109.8H341 A345H341-P343 WeakPolarHBondContact O-CD 3.31Å; P343-A345 WeakPolarHBondContact O-CA 3.37Å; P343-A345 PolarHBondContact O-N 3.26Å
344R31.6Very low36.4Very low255 Ų255111.4 Ų111.496%0.96259%0.587SS**SBendtrans-24.7106.1175.3-83.6177.5157.5-175.2-6.6111.1L342 Q346L342-R344 PolarHBondContact O-N 3.49Å; R344-Q346 PolarHBondContact O-N 2.97Å
345A30.3Very low37.8Very low56 Ų56111.3 Ų111.346%0.46359%0.591SS.*  trans-78.6113.9-157.400000111.9P343P343-A345 WeakPolarHBondContact O-CA 3.37Å; P343-A345 PolarHBondContact O-N 3.26Å
346Q34.4Very low39.5Very low171 Ų171107.7 Ų107.780%0.79957%0.574SS**  trans-59.7142.4159.3-65.7174.6-24.200108.7R344 I348R344-Q346 PolarHBondContact O-N 2.97Å; Q346-I348 PolarHBondContact O-N 3.46Å
347S33.4Very low41.6Very low72 Ų72107.7 Ų107.750%0.50356%0.563SS.*  trans-60.1113.217245.80000109.3H349S347-H349 PolarHBondContact O-N 3.17Å
348I34.4Very low43.1Very low87 Ų87106.6 Ų106.645%0.44656%0.559SS.*EExtended strand (participates in β ladder)trans-87.4109172.6-57.1177.9000106.8Q346 L350 L410 L412Q346-I348 PolarHBondContact O-N 3.46Å; I348-L350 HydrophobicContact CG2-CD2 3.44Å; I348-L350 VanDerWaalsContact CG2-CD2 3.44Å; I348-L350 HydrophobicContact CG2-CG 3.89Å; I348-L410 VanDerWaalsContact O-O 3.07Å; I348-L412 PolarHBondContact O-N 2.96Å
349H37.6Very low45.3Very low108 Ų108104.8 Ų104.850%0.556%0.564SS.*EExtended strand (participates in β ladder)trans-83.6117.3168.6-69.5-79.8000109.2S347S347-H349 PolarHBondContact O-N 3.17Å
350L44.4Very low47Very low4 Ų4103.7 Ų103.72%0.02156%0.557CS.*EExtended strand (participates in β ladder)trans-108.4125.2175.2-57.2-178.2000111.1I348 I366 P368 L410 L412I348-L350 HydrophobicContact CG2-CD2 3.44Å; I348-L350 VanDerWaalsContact CG2-CD2 3.44Å; I348-L350 HydrophobicContact CG2-CG 3.89Å; L350-I366 HydrophobicContact CB-CG2 3.34Å; L350-I366 HydrophobicContact CD1-CG2 3.75Å; L350-I366 HydrophobicContact CG-CG2 4.11Å; L350-P368 HydrophobicContact CD2-CB 4.32Å; L350-L410 HydrophobicContact CB-CB 4.28Å; L350-L410 HydrophobicContact CD1-CD2 4.05Å; L350-L410 PolarHBondContact N-O 3.5Å; L350-L410 PolarHBondContact O-N 3.31Å; L350-L412 HydrophobicContact CD1-CD1 4.34Å
351T43Very low48.4Very low88 Ų88103.8 Ų103.854%0.5455%0.547SS..EExtended strand (participates in β ladder)trans-103.3139.9171.549.50000110.1
352G48.2Very low49.8Very low30 Ų3097 Ų9731%0.30952%0.517SS..EExtended strand (participates in β ladder)trans-118.1155178.100000113.3L365G352-L365 WeakPolarHBondContact CA-O 3.43Å
353Q48.6Very low51.2Low152 Ų15294 Ų9471%0.7150%0.498SS*.EExtended strand (participates in β ladder)trans-106.1137.8174.2-65.6179.6-12.300110.3L355 A364 L365Q353-L355 PolarHBondContact O-N 3.23Å; Q353-A364 WeakPolarHBondContact O-CA 3.43Å; Q353-L365 PolarHBondContact N-O 2.9Å; Q353-L365 PolarHBondContact O-N 3.46Å
354C56.7Low52.1Low63 Ų6389.1 Ų89.143%0.42647%0.467SS..EExtended strand (participates in β ladder)trans-62.1124.5170.8-169.20000108.1D356 C357 C362 F363C354-D356 VanDerWaalsContact SG-C 3.58Å; C354-D356 PolarHBondContact SG-O 3.46Å; C354-D356 VanDerWaalsContact SG-O 3.4Å; C354-C357 WeakPolarHBondContact CB-SG 3.39Å; C354-C357 WeakPolarHBondContact SG-CB 3.35Å; C354-C357 CovalentContact SG-SG 2.13Å; C354-C357 PolarHBondContact SG-SG 3.37Å; C354-C362 HydrophobicContact CB-CB 4.37Å; C354-C362 WeakPolarHBondContact SG-CB 3.46Å; C354-F363 CarbonylContact C-O 3.37Å; C354-F363 VanDerWaalsContact CA-O 3.31Å; C354-F363 WeakPolarHBondContact CA-O 3.19Å
355L59.5Low53.1Low110 Ų11078.5 Ų78.558%0.57643%0.429SS*.EExtended strand (participates in β ladder)trans-88.8-50.5171.7-69.1-177.8000111.8Q353 F363 L365Q353-L355 PolarHBondContact O-N 3.23Å; L355-F363 PolarHBondContact N-O 3.17Å; L355-L365 HydrophobicContact CD1-CB 3.68Å; L355-L365 HydrophobicContact CD1-CD1 4Å; L355-L365 HydrophobicContact CD1-CG 4.31Å; L355-L365 HydrophobicContact CD2-CB 4.04Å; L355-L365 HydrophobicContact CG-CB 3.8Å
356D61.7Low54.3Low78 Ų7875.9 Ų75.942%0.41741%0.407SS..EExtended strand (participates in β ladder)trans-145.8139.4179.7-174.527.2000109.2C354 R358 C362 F363C354-D356 VanDerWaalsContact SG-C 3.58Å; C354-D356 PolarHBondContact SG-O 3.46Å; C354-D356 VanDerWaalsContact SG-O 3.4Å; D356-R358 IonicContact OD2-NE 3.7Å; D356-C362 CarbonylContact O-C 3.47Å; D356-C362 WeakPolarHBondContact O-CA 3.34Å; D356-F363 HydrophobicContact CB-CD2 4.48Å; D356-F363 PolarHBondContact O-N 3.27Å
357C66.9Low54.8Low61 Ų6176 Ų7641%0.41240%0.4SS..EExtended strand (participates in β ladder)trans-127.4119.4-174-34.80000109.3C354 W361 C362C354-C357 WeakPolarHBondContact CB-SG 3.39Å; C354-C357 WeakPolarHBondContact SG-CB 3.35Å; C354-C357 CovalentContact SG-SG 2.13Å; C354-C357 PolarHBondContact SG-SG 3.37Å; C357-W361 CarbonylContact C-O 3.57Å; C357-W361 VanDerWaalsContact CA-O 3.26Å; C357-W361 WeakPolarHBondContact CA-O 3.38Å; C357-C362 HydrophobicContact CB-CB 4.32Å; C357-C362 WeakPolarHBondContact CB-SG 3.46Å; C357-C362 PolarHBondContact SG-SG 3.39Å
358R61.7Low55.2Low179 Ų17974.2 Ų74.268%0.67539%0.387SS*.EExtended strand (participates in β ladder)trans-118.5107.3178.1-68.3-168.9-178.5-167.90.8111.1D356 W361D356-R358 IonicContact OD2-NE 3.7Å; R358-W361 PolarHBondContact N-O 3Å; R358-W361 PolarHBondContact O-N 3.11Å
359G80.1Confident55.6Low62 Ų6277.1 Ų77.164%0.63940%0.397SS*.THydrogen-bonded Turntrans67.4-131.6-176.700000111.1W361G359-W361 PolarHBondContact O-N 2.79Å
360P72.4Confident55.5Low70 Ų7080.5 Ų80.546%0.45541%0.405SS..THydrogen-bonded Turntrans-78.6-0.1175.933.7-33.9000112.9Q403 K404P360-Q403 HydrophobicContact CB-CG 4.4Å; P360-Q403 CarbonylContact O-C 3.4Å; P360-Q403 WeakPolarHBondContact O-CA 3.44Å; P360-Q403 WeakPolarHBondContact O-CG 3.46Å; P360-K404 PolarHBondContact O-N 3.16Å
361W67Low54.9Low134 Ų13483.6 Ų83.651%0.50844%0.438SS..EExtended strand (participates in β ladder)trans-111.5145.9-173.6-57.7108.5000112.6C357 R358 G359 V401 A402 Q403C357-W361 CarbonylContact C-O 3.57Å; C357-W361 VanDerWaalsContact CA-O 3.26Å; C357-W361 WeakPolarHBondContact CA-O 3.38Å; R358-W361 PolarHBondContact N-O 3Å; R358-W361 PolarHBondContact O-N 3.11Å; G359-W361 PolarHBondContact O-N 2.79Å; W361-V401 HydrophobicContact CB-CG1 4.28Å; W361-V401 HydrophobicContact CE3-CG1 4.18Å; W361-A402 CarbonylContact C-O 3.5Å; W361-A402 WeakPolarHBondContact CA-O 3.26Å; W361-Q403 HydrophobicContact CZ3-CB 4.47Å
362C65.8Low54.4Low9 Ų987.8 Ų87.86%0.06145%0.451CS..EExtended strand (participates in β ladder)trans-134128.4-173.1-72.20000109.2C354 D356 C357 V401 A402 K404C354-C362 HydrophobicContact CB-CB 4.37Å; C354-C362 WeakPolarHBondContact SG-CB 3.46Å; D356-C362 CarbonylContact O-C 3.47Å; D356-C362 WeakPolarHBondContact O-CA 3.34Å; C357-C362 HydrophobicContact CB-CB 4.32Å; C357-C362 WeakPolarHBondContact CB-SG 3.46Å; C357-C362 PolarHBondContact SG-SG 3.39Å; C362-V401 CarbonylContact O-C 3.37Å; C362-V401 WeakPolarHBondContact O-CA 3.11Å; C362-A402 WeakPolarHBondContact CB-O 3.26Å; C362-A402 PolarHBondContact N-O 3.25Å; C362-A402 PolarHBondContact O-N 2.71Å; C362-K404 WeakPolarHBondContact SG-CA 3.42Å
363F66.3Low53.8Low77 Ų7791 Ų9134%0.33847%0.469SS..EExtended strand (participates in β ladder)trans-79.6123.5164.3-70.2-84.7000108.1C354 L355 D356 T399 V401C354-F363 CarbonylContact C-O 3.37Å; C354-F363 VanDerWaalsContact CA-O 3.31Å; C354-F363 WeakPolarHBondContact CA-O 3.19Å; L355-F363 PolarHBondContact N-O 3.17Å; D356-F363 HydrophobicContact CB-CD2 4.48Å; D356-F363 PolarHBondContact O-N 3.27Å; F363-T399 HydrophobicContact CD1-CG2 4.23Å; F363-V401 HydrophobicContact CD1-CG2 3.95Å; F363-V401 HydrophobicContact CE1-CG2 3.74Å; F363-V401 HydrophobicContact CZ-CG2 4.47Å
364A51.5Low52.9Low6 Ų687.1 Ų87.15%0.0547%0.47CS..EExtended strand (participates in β ladder)trans-112131.7173.500000110.2Q353 V400Q353-A364 WeakPolarHBondContact O-CA 3.43Å; A364-V400 PolarHBondContact N-O 3.42Å; A364-V400 PolarHBondContact O-N 3.14Å
365L52.2Low51.5Low32 Ų3287.7 Ų87.717%0.16848%0.48CS..EExtended strand (participates in β ladder)trans-88115.4168.9-162.974.8000108.2G352 Q353 L355 R367 I397G352-L365 WeakPolarHBondContact CA-O 3.43Å; Q353-L365 PolarHBondContact N-O 2.9Å; Q353-L365 PolarHBondContact O-N 3.46Å; L355-L365 HydrophobicContact CD1-CB 3.68Å; L355-L365 HydrophobicContact CD1-CD1 4Å; L355-L365 HydrophobicContact CD1-CG 4.31Å; L355-L365 HydrophobicContact CD2-CB 4.04Å; L355-L365 HydrophobicContact CG-CB 3.8Å; L365-R367 HydrophobicContact CD2-CG 4Å; L365-R367 HydrophobicContact CG-CG 4.4Å; L365-I397 HydrophobicContact CD1-CG2 3.21Å; L365-I397 HydrophobicContact CG-CG2 4.17Å
366I54.7Low50.4Low0 Ų088.2 Ų88.20%049%0.487CS..EExtended strand (participates in β ladder)trans-93.6106.1169.8-56.4-174.2000106.8L350 L398 V400 V408 L410L350-I366 HydrophobicContact CB-CG2 3.34Å; L350-I366 HydrophobicContact CD1-CG2 3.75Å; L350-I366 HydrophobicContact CG-CG2 4.11Å; I366-L398 HydrophobicContact CB-CB 3.91Å; I366-L398 PolarHBondContact N-O 3.22Å; I366-L398 PolarHBondContact O-N 3.35Å; I366-V400 HydrophobicContact CD1-CB 4.23Å; I366-V400 HydrophobicContact CD1-CG2 3.4Å; I366-V400 VanDerWaalsContact CD1-CG2 3.4Å; I366-V400 HydrophobicContact CG1-CG2 4.07Å; I366-V408 HydrophobicContact CD1-CG1 3.82Å; I366-L410 HydrophobicContact CD1-CB 4.37Å
367R45Very low49.2Very low173 Ų17390.1 Ų90.165%0.65350%0.504SS*.PPolyproline II helixtrans-82.9121.1169.9-67.6-174.9179.1-177.80.8107.2L365 F369L365-R367 HydrophobicContact CD2-CG 4Å; L365-R367 HydrophobicContact CG-CG 4.4Å; R367-F369 PolarHBondContact O-N 3.35Å
368P42.5Very low47.9Very low36 Ų3698.5 Ų98.523%0.23453%0.527CS..PPolyproline II helixtrans-60.9129.8167.625.9-31.3000107.5L350 R370 V395 R396L350-P368 HydrophobicContact CD2-CB 4.32Å; P368-R370 PolarHBondContact O-N 3.37Å; P368-V395 HydrophobicContact CG-CG1 3.98Å; P368-R396 WeakPolarHBondContact CD-O 3.23Å; P368-R396 WeakPolarHBondContact CG-O 3.4Å
369F41.1Very low46.8Very low148 Ų148101.9 Ų101.965%0.64954%0.539SS*.PPolyproline II helixtrans-52.1137.8165.5-89.3-89.8000107.6R367 G371R367-F369 PolarHBondContact O-N 3.35Å; F369-G371 VanDerWaalsContact C-N 3.34Å; F369-G371 PolarHBondContact O-N 2.95Å
370R36.1Very low45Very low178 Ų178106.4 Ų106.467%0.67255%0.547SS*.  trans-52.9109.9162.8-88.8-178.7174.5172.2-1.4105.1P368 H372P368-R370 PolarHBondContact O-N 3.37Å; R370-H372 VanDerWaalsContact C-N 3.26Å; R370-H372 PolarHBondContact O-N 3.16Å
371G32.1Very low43.2Very low69 Ų69106.9 Ų106.971%0.71157%0.565SS**  trans-58.5101166.100000106.2F369 S373F369-G371 VanDerWaalsContact C-N 3.34Å; F369-G371 PolarHBondContact O-N 2.95Å; G371-S373 PolarHBondContact O-N 2.94Å
372H32.9Very low41.8Very low176 Ų176103.6 Ų103.682%0.81557%0.573SS**  trans-69.871.1156.1-72.9-60.6000105.6R370 G374R370-H372 VanDerWaalsContact C-N 3.26Å; R370-H372 PolarHBondContact O-N 3.16Å; H372-G374 PolarHBondContact O-N 3.5Å
373S34.7Very low40.7Very low97 Ų97108.7 Ų108.768%0.67861%0.609SS**  trans-62.499.1153.861.10000103.7G371 A375G371-S373 PolarHBondContact O-N 2.94Å; S373-A375 PolarHBondContact O-N 3.18Å
374G29.7Very low39.9Very low71 Ų71110.8 Ų110.873%0.73263%0.633SS**  trans-62.941.3164.900000111.3H372 T376H372-G374 PolarHBondContact O-N 3.5Å; G374-T376 PolarHBondContact O-N 3.27Å; G374-T376 PolarHBondContact O-OG1 3.12Å
375A28.4Very low39Very low76 Ų76114.2 Ų114.263%0.62867%0.669SS**  trans-69.374.2160.900000106.5S373 P377S373-A375 PolarHBondContact O-N 3.18Å; A375-P377 WeakPolarHBondContact O-CD 3.49Å; A375-P377 VanDerWaalsContact O-N 3.14Å
376T35.7Very low38.3Very low120 Ų120118.9 Ų118.974%0.73670%0.699SS**  trans-49.4118.2152.8-300000105G374 R378G374-T376 PolarHBondContact O-N 3.27Å; G374-T376 PolarHBondContact O-OG1 3.12Å; T376-R378 PolarHBondContact O-N 3.4Å
377P36.8Very low37.4Very low118 Ų118125 Ų12577%0.76674%0.738SS**  trans-63.3101.8-17623.4-31000107.9A375 R379A375-P377 WeakPolarHBondContact O-CD 3.49Å; A375-P377 VanDerWaalsContact O-N 3.14Å; P377-R379 PolarHBondContact O-N 3.1Å
378R38.6Very low37Very low238 Ų238125.5 Ų125.590%0.89875%0.751SS**  trans-63.6110.8164.5-93.1-171169.4-161.8-2.2105.6T376 I380T376-R378 PolarHBondContact O-N 3.4Å; R378-I380 PolarHBondContact O-N 3.16Å
379R38.7Very low36.7Very low249 Ų249129.8 Ų129.894%0.9478%0.776SS**  trans-54.5103.3164-86.1-177.8166.3-159.8-2.4107P377 G381P377-R379 PolarHBondContact O-N 3.1Å; R379-G381 PolarHBondContact O-N 3.1Å
380I42.3Very low36.3Very low157 Ų157134.8 Ų134.881%0.80579%0.791SS**  trans-76.1101.8161-62.9175000104.6R378 G382R378-I380 PolarHBondContact O-N 3.16Å; I380-G382 PolarHBondContact O-N 3.33Å
381G35.3Very low36.1Very low80 Ų80129.2 Ų129.283%0.82578%0.783SS**  trans-66.4113.4163.400000107.6R379R379-G381 PolarHBondContact O-N 3.1Å
382G37.5Very low36Very low66 Ų66128.4 Ų128.468%0.6877%0.774SS**  trans173.2115.3-178.600000109.5I380I380-G382 PolarHBondContact O-N 3.33Å
383S42.8Very low36.1Very low115 Ų115124.6 Ų124.680%0.80477%0.765SS**  trans-43.9152.4-174.148.50000116.7
384S49.5Very low36.1Very low121 Ų121125.6 Ų125.685%0.84677%0.767SS**  trans82.279.3167.478.50000119
385G31.6Very low36.3Very low78 Ų78126.2 Ų126.280%0.80476%0.757SS**  49.594.8122.300000120.5
386T37.9Very low36.8Very low130 Ų130128.8 Ų128.880%0.79875%0.75SS**  -159128.6127.632.20000108.4M388T386-M388 PolarHBondContact O-N 3.34Å
387P36.6Very low37Very low128 Ų128128.5 Ų128.583%0.83174%0.743SS**  trans-67.2109.2178.225.6-31000109.6T389P387-T389 PolarHBondContact O-N 3.18Å
388M35.8Very low37.8Very low185 Ų185125 Ų12591%0.91172%0.718SS**  trans-63.1106.5166.9-82.3-171-167.800108.7T386 R390T386-M388 PolarHBondContact O-N 3.34Å; M388-R390 PolarHBondContact O-N 2.9Å; M388-R390 VanDerWaalsContact O-N 3.1Å
389T36.8Very low38.3Very low125 Ų125117.7 Ų117.777%0.76770%0.699SS**  trans-51.4116.9165.733.10000109.3P387 A391P387-T389 PolarHBondContact O-N 3.18Å; T389-A391 PolarHBondContact O-N 3.36Å
390R33.2Very low39.1Very low253 Ų253106.9 Ų106.996%0.95566%0.661SS**  trans-49.598.4166-98.2-179.9170.8177.3-2.2108.6M388 G392M388-R390 PolarHBondContact O-N 2.9Å; M388-R390 VanDerWaalsContact O-N 3.1Å; R390-G392 PolarHBondContact O-N 3.32Å
391A31.7Very low39.6Very low62 Ų62101.2 Ų101.251%0.51263%0.634SS.*  trans-73.8106.1161.900000106.5R337 T389R337-A391 VanDerWaalsContact NH2-CB 3.26Å; T389-A391 PolarHBondContact O-N 3.36Å
392G30.1Very low40.6Very low51 Ų5197.6 Ų97.653%0.52660%0.596SS.*  trans-56.3157.4167.600000110.3R390 T394R390-G392 PolarHBondContact O-N 3.32Å; G392-T394 PolarHBondContact O-N 2.83Å
393P34.9Very low41.7Very low97 Ų9797.1 Ų97.163%0.6358%0.576SS**  trans-62104.1179.825.2-32.8000109.9V395P393-V395 PolarHBondContact O-N 2.88Å
394T34.6Very low42.5Very low117 Ų11798.7 Ų98.772%0.71857%0.568SS**  trans-67.399.2168.322.40000109G392 R396G392-T394 PolarHBondContact O-N 2.83Å; T394-R396 PolarHBondContact O-N 3.16Å
395V33.6Very low42.9Very low84 Ų8495.4 Ų95.451%0.50955%0.554SS.*  trans-71.9110.7171.1-179.40000107.9P368 P393P368-V395 HydrophobicContact CG-CG1 3.98Å; P393-V395 PolarHBondContact O-N 2.88Å
396R39.7Very low44Very low130 Ų13093.1 Ų93.149%0.49152%0.524SS..  trans-95.5111.2179.3-65.4-176.6179.1-176.7-0.1110P368 T394 L398P368-R396 WeakPolarHBondContact CD-O 3.23Å; P368-R396 WeakPolarHBondContact CG-O 3.4Å; T394-R396 PolarHBondContact O-N 3.16Å; R396-L398 PolarHBondContact O-N 3.47Å
397I39.3Very low44.6Very low115 Ų11591.8 Ų91.859%0.5951%0.511SS*.PPolyproline II helixtrans-73.7119.8179-64.2173.7000109.5L365L365-I397 HydrophobicContact CD1-CG2 3.21Å; L365-I397 HydrophobicContact CG-CG2 4.17Å
398L54.1Low45.1Very low45 Ų4587 Ų8724%0.23648%0.479CS..EExtended strand (participates in β ladder)trans-96.6126.1165.6-113.8115.6000108.8L330 I366 R396 V400 L410L330-L398 HydrophobicContact CD2-CD2 4.15Å; I366-L398 HydrophobicContact CB-CB 3.91Å; I366-L398 PolarHBondContact N-O 3.22Å; I366-L398 PolarHBondContact O-N 3.35Å; R396-L398 PolarHBondContact O-N 3.47Å; L398-V400 HydrophobicContact CD2-CG2 4.15Å; L398-L410 HydrophobicContact CD1-CD2 4.48Å; L398-L410 HydrophobicContact CD2-CD2 4.29Å
399T48.8Very low45.6Very low83 Ų8380.8 Ų80.851%0.50945%0.454SS..EExtended strand (participates in β ladder)trans-103.6121.6171.6-52.50000108.2F363F363-T399 HydrophobicContact CD1-CG2 4.23Å
400V54.9Low46.2Very low23 Ų2375.3 Ų75.314%0.13942%0.42CS..EExtended strand (participates in β ladder)trans-118.9139.3179.8-177.90000109.7A364 I366 L398 V408A364-V400 PolarHBondContact N-O 3.42Å; A364-V400 PolarHBondContact O-N 3.14Å; I366-V400 HydrophobicContact CD1-CB 4.23Å; I366-V400 HydrophobicContact CD1-CG2 3.4Å; I366-V400 VanDerWaalsContact CD1-CG2 3.4Å; I366-V400 HydrophobicContact CG1-CG2 4.07Å; L398-V400 HydrophobicContact CD2-CG2 4.15Å; V400-V408 HydrophobicContact CB-CG1 4.4Å; V400-V408 HydrophobicContact CG1-CG1 4Å; V400-V408 HydrophobicContact CG1-CG2 4.34Å
401V53.5Low46.6Very low37 Ų3765.6 Ų65.622%0.22439%0.389CS..EExtended strand (participates in β ladder)trans-96.5117.8170.3-176.90000108W361 C362 F363W361-V401 HydrophobicContact CB-CG1 4.28Å; W361-V401 HydrophobicContact CE3-CG1 4.18Å; C362-V401 CarbonylContact O-C 3.37Å; C362-V401 WeakPolarHBondContact O-CA 3.11Å; F363-V401 HydrophobicContact CD1-CG2 3.95Å; F363-V401 HydrophobicContact CE1-CG2 3.74Å; F363-V401 HydrophobicContact CZ-CG2 4.47Å
402A55.7Low47.2Very low4 Ų465 Ų653%0.03338%0.377CS..EExtended strand (participates in β ladder)trans-123.2161.9-175.200000110.9W361 C362 T406 V408W361-A402 CarbonylContact C-O 3.5Å; W361-A402 WeakPolarHBondContact CA-O 3.26Å; C362-A402 WeakPolarHBondContact CB-O 3.26Å; C362-A402 PolarHBondContact N-O 3.25Å; C362-A402 PolarHBondContact O-N 2.71Å; A402-T406 WeakPolarHBondContact CB-OG1 3.45Å; A402-V408 HydrophobicContact CB-CG2 3.32Å
403Q61.5Low47.4Very low56 Ų5664 Ų6426%0.26237%0.367SS..EExtended strand (participates in β ladder)trans-77.1147.5173.7-165.3-177.1-15.100109.4P360 W361 G405 T406 R432P360-Q403 HydrophobicContact CB-CG 4.4Å; P360-Q403 CarbonylContact O-C 3.4Å; P360-Q403 WeakPolarHBondContact O-CA 3.44Å; P360-Q403 WeakPolarHBondContact O-CG 3.46Å; W361-Q403 HydrophobicContact CZ3-CB 4.47Å; Q403-G405 PolarHBondContact O-N 2.96Å; Q403-G405 VanDerWaalsContact O-N 3.16Å; Q403-T406 HydrophobicContact CB-CG2 3.83Å; Q403-T406 PolarHBondContact N-OG1 3.28Å; Q403-T406 VanDerWaalsContact N-OG1 3.15Å; Q403-T406 PolarHBondContact O-N 2.67Å; Q403-T406 PolarHBondContact O-OG1 3.48Å; Q403-R432 VanDerWaalsContact NE2-NH2 3.15Å
404K57.9Low47.3Very low148 Ų14861.4 Ų61.464%0.64336%0.358SS*.THydrogen-bonded Turntrans-57.8124.6175.2-171.4178.5179.5-178.40109.9P360 C362P360-K404 PolarHBondContact O-N 3.16Å; C362-K404 WeakPolarHBondContact SG-CA 3.42Å
405G59.5Low47.2Very low52 Ų5258.5 Ų58.554%0.53635%0.351SS..THydrogen-bonded Turntrans89.70.8-176.300000114.8Q403 Q433Q403-G405 PolarHBondContact O-N 2.96Å; Q403-G405 VanDerWaalsContact O-N 3.16Å; G405-Q433 WeakPolarHBondContact O-CB 3.45Å; G405-Q433 PolarHBondContact O-OE1 3.23Å; G405-Q433 VanDerWaalsContact O-OE1 3.05Å
406T53.6Low47.3Very low30 Ų3064.2 Ų64.218%0.18437%0.372CS..  trans-89.7128.5172.357.60000110.9A402 Q403 V408 R432A402-T406 WeakPolarHBondContact CB-OG1 3.45Å; Q403-T406 HydrophobicContact CB-CG2 3.83Å; Q403-T406 PolarHBondContact N-OG1 3.28Å; Q403-T406 VanDerWaalsContact N-OG1 3.15Å; Q403-T406 PolarHBondContact O-N 2.67Å; Q403-T406 PolarHBondContact O-OG1 3.48Å; T406-V408 PolarHBondContact O-N 3.05Å; T406-R432 HydrophobicContact CG2-CG 4.32Å
407I49.9Very low47.1Very low102 Ų10259.7 Ų59.752%0.52336%0.363SS..  trans-74.6120.7163.9-61.4179.8000107.3
408V48.1Very low46.9Very low27 Ų2760 Ų6016%0.16437%0.373CS..  trans-87.6110.2170.2-173.80000107.4I366 V400 A402 T406I366-V408 HydrophobicContact CD1-CG1 3.82Å; V400-V408 HydrophobicContact CB-CG1 4.4Å; V400-V408 HydrophobicContact CG1-CG1 4Å; V400-V408 HydrophobicContact CG1-CG2 4.34Å; A402-V408 HydrophobicContact CB-CG2 3.32Å; T406-V408 PolarHBondContact O-N 3.05Å
409S47.1Very low46.2Very low56 Ų5662.6 Ų62.639%0.39239%0.387SS..EExtended strand (participates in β ladder)trans-106.8117.1166.8-174.30000107.4
410L48.3Very low45.6Very low9 Ų961.5 Ų61.55%0.04738%0.377CS..EExtended strand (participates in β ladder)trans-101.4113170.1-166.889.9000107.2I348 L350 I366 L398 L412 L424 V428I348-L410 VanDerWaalsContact O-O 3.07Å; L350-L410 HydrophobicContact CB-CB 4.28Å; L350-L410 HydrophobicContact CD1-CD2 4.05Å; L350-L410 PolarHBondContact N-O 3.5Å; L350-L410 PolarHBondContact O-N 3.31Å; I366-L410 HydrophobicContact CD1-CB 4.37Å; L398-L410 HydrophobicContact CD1-CD2 4.48Å; L398-L410 HydrophobicContact CD2-CD2 4.29Å; L410-L412 HydrophobicContact CD2-CD1 4.29Å; L410-L412 HydrophobicContact CD2-CD2 3.84Å; L410-L412 HydrophobicContact CD2-CG 3.9Å; L410-L412 HydrophobicContact CG-CD2 4.48Å; L410-L424 HydrophobicContact CD1-CD2 4.46Å; L410-V428 HydrophobicContact CD1-CG2 4.32Å
411T41.6Very low44.6Very low49 Ų4963.9 Ų63.930%0.30140%0.395SS..EExtended strand (participates in β ladder)trans-96.7108.3170.1-53.20000107.5G413 S427T411-G413 PolarHBondContact O-N 2.89Å; T411-S427 WeakPolarHBondContact O-CB 3.4Å
412L44.8Very low43.4Very low49 Ų4964.5 Ų64.526%0.25740%0.404SS..EExtended strand (participates in β ladder)trans-81.295.9168.7-65.6168000106.9I348 L350 L410 L423I348-L412 PolarHBondContact O-N 2.96Å; L350-L412 HydrophobicContact CD1-CD1 4.34Å; L410-L412 HydrophobicContact CD2-CD1 4.29Å; L410-L412 HydrophobicContact CD2-CD2 3.84Å; L410-L412 HydrophobicContact CD2-CG 3.9Å; L410-L412 HydrophobicContact CG-CD2 4.48Å; L412-L423 HydrophobicContact CB-CD2 4.16Å; L412-L423 HydrophobicContact CD2-CD2 3.36Å; L412-L423 HydrophobicContact CG-CD2 4.36Å
413G35.1Very low42.3Very low31 Ų3165.3 Ų65.332%0.3241%0.407SS..  trans-66.8132.6178.800000111.2T411 G415 L423T411-G413 PolarHBondContact O-N 2.89Å; G413-G415 PolarHBondContact O-N 3.05Å; G413-L423 WeakPolarHBondContact O-CD1 3.24Å
414G31Very low41.1Very low43 Ų4364.3 Ų64.344%0.44340%0.403SS..  trans-77.737.4-17500000116.3
415G32.5Very low40.1Very low56 Ų5666.6 Ų66.658%0.57741%0.414SS*.SBendtrans-79.4150.4170.300000110.7G413 A417G413-G415 PolarHBondContact O-N 3.05Å; G415-A417 PolarHBondContact O-N 3.38Å
416Q37Very low38.7Very low203 Ų20368.6 Ų68.695%0.94942%0.419SS*.  trans-61.279.2164.6-72.6-175.8-9.100109P418Q416-P418 WeakPolarHBondContact O-CD 3.33Å
417A34.5Very low37.8Very low35 Ų3568.5 Ų68.529%0.28942%0.42SS..  trans-90.3106.6167.500000106.6G415 N419 L423G415-A417 PolarHBondContact O-N 3.38Å; A417-N419 PolarHBondContact O-N 3.11Å; A417-L423 HydrophobicContact CB-CB 3.88Å; A417-L423 HydrophobicContact CB-CD1 3.46Å; A417-L423 VanDerWaalsContact CB-CD1 3.46Å; A417-L423 HydrophobicContact CB-CG 4.15Å
418P35.2Very low37Very low123 Ų12366.3 Ų66.380%0.79941%0.411SS*.SBendtrans-64.1-3.7-178.325.3-34.3000113.1Q416Q416-P418 WeakPolarHBondContact O-CD 3.33Å
419N39.1Very low36.7Very low99 Ų9973.5 Ų73.553%0.52944%0.443SS..SBendtrans-150.2127.9175-142.9-26.6000110.2A417 S421 A422 L423A417-N419 PolarHBondContact O-N 3.11Å; N419-S421 PolarHBondContact O-N 2.95Å; N419-S421 VanDerWaalsContact O-N 3.16Å; N419-A422 WeakPolarHBondContact O-CA 3.33Å; N419-A422 VanDerWaalsContact O-CB 3.26Å; N419-A422 WeakPolarHBondContact O-CB 3.42Å; N419-A422 PolarHBondContact O-N 3.44Å; N419-L423 PolarHBondContact O-N 2.65Å
420I36Very low36.1Very low60 Ų6079.5 Ų79.531%0.30846%0.457SS..Hα-helixtrans-64-22.5179.7-71.1161.8000111.4F334 A422 L423 L424F334-I420 HydrophobicContact CD1-CD1 3.96Å; F334-I420 HydrophobicContact CE1-CB 4.33Å; F334-I420 HydrophobicContact CE1-CD1 3.12Å; F334-I420 HydrophobicContact CE1-CG1 4.28Å; F334-I420 HydrophobicContact CE1-CG2 4.47Å; F334-I420 HydrophobicContact CE2-CB 3.93Å; F334-I420 HydrophobicContact CE2-CD1 4.26Å; F334-I420 HydrophobicContact CE2-CG2 4.07Å; F334-I420 HydrophobicContact CZ-CB 3.59Å; F334-I420 HydrophobicContact CZ-CD1 3.32Å; F334-I420 HydrophobicContact CZ-CG1 4.03Å; F334-I420 HydrophobicContact CZ-CG2 3.53Å; I420-A422 PolarHBondContact O-N 3.43Å; I420-L423 PolarHBondContact O-N 3.46Å; I420-L424 HydrophobicContact CG2-CD1 3.79Å; I420-L424 HydrophobicContact CG2-CG 4.07Å; I420-L424 WeakPolarHBondContact O-CB 3.21Å; I420-L424 WeakPolarHBondContact O-CG 3.4Å; I420-L424 PolarHBondContact O-N 3.01Å
421S34Very low35.6Very low73 Ų7388.3 Ų88.351%0.5149%0.489SS..Hα-helixtrans-60.3-31.1167.6-60.70000113.4N419 K425N419-S421 PolarHBondContact O-N 2.95Å; N419-S421 VanDerWaalsContact O-N 3.16Å; S421-K425 PolarHBondContact O-N 2.69Å
422A29.4Very low35.4Very low50 Ų5094.6 Ų94.641%0.41351%0.508SS..Hα-helixtrans-76.4-38.7172.900000111.3N419 I420 L424 K425 S426N419-A422 WeakPolarHBondContact O-CA 3.33Å; N419-A422 VanDerWaalsContact O-CB 3.26Å; N419-A422 WeakPolarHBondContact O-CB 3.42Å; N419-A422 PolarHBondContact O-N 3.44Å; I420-A422 PolarHBondContact O-N 3.43Å; A422-L424 VanDerWaalsContact C-N 3.35Å; A422-L424 PolarHBondContact O-N 3.36Å; A422-K425 WeakPolarHBondContact O-CB 3.05Å; A422-K425 PolarHBondContact O-N 2.05Å; A422-K425 VanDerWaalsContact O-N 3.16Å; A422-S426 PolarHBondContact O-N 3.46Å; A422-S426 VanDerWaalsContact O-N 3.14Å; A422-S426 PolarHBondContact O-OG 2.88Å
423L32.2Very low35Very low21 Ų2197.7 Ų97.711%0.1152%0.521CS..Hα-helixtrans-68.1-32.9179.4-154.6135.5000112.4L412 G413 A417 N419 I420 S426 S427L412-L423 HydrophobicContact CB-CD2 4.16Å; L412-L423 HydrophobicContact CD2-CD2 3.36Å; L412-L423 HydrophobicContact CG-CD2 4.36Å; G413-L423 WeakPolarHBondContact O-CD1 3.24Å; A417-L423 HydrophobicContact CB-CB 3.88Å; A417-L423 HydrophobicContact CB-CD1 3.46Å; A417-L423 VanDerWaalsContact CB-CD1 3.46Å; A417-L423 HydrophobicContact CB-CG 4.15Å; N419-L423 PolarHBondContact O-N 2.65Å; I420-L423 PolarHBondContact O-N 3.46Å; L423-S426 PolarHBondContact O-OG 3.4Å; L423-S427 VanDerWaalsContact O-CB 3.24Å; L423-S427 WeakPolarHBondContact O-CB 3.11Å; L423-S427 PolarHBondContact O-N 3.47Å; L423-S427 VanDerWaalsContact O-N 3.16Å; L423-S427 PolarHBondContact O-OG 3.29Å
424L36.8Very low34.8Very low34 Ų3499.8 Ų99.818%0.17854%0.542CS..Hα-helixtrans-78.9-21.8173.2-68.6168000113.1L330 L410 I420 A422 V428L330-L424 HydrophobicContact CB-CD1 3.96Å; L330-L424 HydrophobicContact CD1-CB 3.98Å; L330-L424 HydrophobicContact CD1-CD1 4.01Å; L330-L424 HydrophobicContact CD1-CD2 4.07Å; L330-L424 HydrophobicContact CD1-CG 4.23Å; L330-L424 HydrophobicContact CD2-CD1 4.21Å; L330-L424 HydrophobicContact CG-CD1 4.28Å; L410-L424 HydrophobicContact CD1-CD2 4.46Å; I420-L424 HydrophobicContact CG2-CD1 3.79Å; I420-L424 HydrophobicContact CG2-CG 4.07Å; I420-L424 WeakPolarHBondContact O-CB 3.21Å; I420-L424 WeakPolarHBondContact O-CG 3.4Å; I420-L424 PolarHBondContact O-N 3.01Å; A422-L424 VanDerWaalsContact C-N 3.35Å; A422-L424 PolarHBondContact O-N 3.36Å; L424-V428 WeakPolarHBondContact O-CG2 3.19Å
425K35.7Very low34.8Very low197 Ų197112.2 Ų112.286%0.85758%0.576SS**Hα-helixtrans-74.8-28.7170.5-101.8-176.4174.6-177.10112.4S421 A422S421-K425 PolarHBondContact O-N 2.69Å; A422-K425 WeakPolarHBondContact O-CB 3.05Å; A422-K425 PolarHBondContact O-N 2.05Å; A422-K425 VanDerWaalsContact O-N 3.16Å
426S30.6Very low34.9Very low94 Ų94115.1 Ų115.166%0.65758%0.576SS**Hα-helixtrans-98.5-20.2-175.7590000115.4A422 L423A422-S426 PolarHBondContact O-N 3.46Å; A422-S426 VanDerWaalsContact O-N 3.14Å; A422-S426 PolarHBondContact O-OG 2.88Å; L423-S426 PolarHBondContact O-OG 3.4Å
427S34Very low34.8Very low27 Ų27110.4 Ų110.419%0.18956%0.556CS.*  trans-117.110.7-163.3-360000116.3T411 L423 Q429T411-S427 WeakPolarHBondContact O-CB 3.4Å; L423-S427 VanDerWaalsContact O-CB 3.24Å; L423-S427 WeakPolarHBondContact O-CB 3.11Å; L423-S427 PolarHBondContact O-N 3.47Å; L423-S427 VanDerWaalsContact O-N 3.16Å; L423-S427 PolarHBondContact O-OG 3.29Å; S427-Q429 PolarHBondContact O-N 3.19Å
428V34.6Very low34.8Very low56 Ų56114.6 Ų114.634%0.33957%0.571SS.*  trans-95.487.8177.6-173.10000109.5L410 L424 W430L410-V428 HydrophobicContact CD1-CG2 4.32Å; L424-V428 WeakPolarHBondContact O-CG2 3.19Å; V428-W430 HydrophobicContact CG1-CD2 4.39Å; V428-W430 HydrophobicContact CG1-CZ2 4.02Å
429Q40.4Very low34.8Very low178 Ų178114.1 Ų114.183%0.83256%0.557SS**  trans-82.2118.9168.9-73.4-175.1-13.100109.9S427 R431S427-Q429 PolarHBondContact O-N 3.19Å; Q429-R431 PolarHBondContact O-N 3.38Å
430W35.5Very low34.5Very low182 Ų182115.1 Ų115.169%0.68956%0.559SS**  trans-88.9101.8176.1-62.184.7000109.2V428V428-W430 HydrophobicContact CG1-CD2 4.39Å; V428-W430 HydrophobicContact CG1-CZ2 4.02Å
431R37.4Very low34.4Very low194 Ų194118.7 Ų118.773%0.73258%0.576SS**  trans-95.5110.9169.9-153173.8-170.3-170.93.5109.6Q429 Q433Q429-R431 PolarHBondContact O-N 3.38Å; R431-Q433 PolarHBondContact O-N 3.41Å
432R36.8Very low34.4Very low182 Ų182122 Ų12269%0.68758%0.581SS**  trans-74.6115.7166.3-125-177.5-177-1672.9107.6Q403 T406 G434Q403-R432 VanDerWaalsContact NE2-NH2 3.15Å; T406-R432 HydrophobicContact CG2-CG 4.32Å; R432-G434 PolarHBondContact O-N 3.47Å
433Q37.4Very low34.8Very low114 Ų114127.5 Ų127.553%0.53359%0.594SS.*  trans-71.9124.8163.4-77.6-174.5-34.500108G405 R431G405-Q433 WeakPolarHBondContact O-CB 3.45Å; G405-Q433 PolarHBondContact O-OE1 3.23Å; G405-Q433 VanDerWaalsContact O-OE1 3.05Å; R431-Q433 PolarHBondContact O-N 3.41Å
434G31.7Very low35Very low74 Ų74136.4 Ų136.476%0.76363%0.634SS**  trans-67.4141.7171.300000111.4R432R432-G434 PolarHBondContact O-N 3.47Å
435R29.8Very low34.9Very low305 Ų305145.7 Ų145.7100%1.15168%0.675SS**  -100.40121.8-91.9-170.7177.2-166.1-2.1107.4

Retrieved 435 of 435 residues in 327.2 ms (Link to these results)