A0A2K6DFR0_MACNE Loading...

CNKSR family member 3

AlphaFold DB , UniProt , Accession A0A2K6DFR0, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene CNKSR3, Length 555 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
1M76.9Confident91.1Very high79 Ų7965.4 Ų65.439%0.38933%0.331SS..  0139.50163.6-92.1-163.400108.7V4 L72 L209 L288M1-V4 HydrophobicContact CE-CG2 4.16Å; M1-L72 HydrophobicContact CE-CD2 3.76Å; M1-L72 HydrophobicContact CE-CG 4.09Å; M1-L209 HydrophobicContact CB-CD1 4.24Å; M1-L288 HydrophobicContact CB-CD2 3.42Å; M1-L288 VanDerWaalsContact CB-CD2 3.42Å; M1-L288 HydrophobicContact CG-CD2 4.33Å
2E82.9Confident91.6Very high88 Ų8859.9 Ų59.941%0.41130%0.303SS..  trans-84.6131.9173.8175.3174.1-125.400109.3K6 W7 Q11E2-K6 HydrophobicContact CG-CB 3.88Å; E2-W7 PolarHBondContact O-NE1 3.04Å; E2-Q11 PolarHBondContact OE2-NE2 2.87Å
3P87Confident92Very high49 Ų4955.5 Ų55.532%0.31828%0.281SS..  trans-59.6145.6179.726.4-35.7000111.2T5 K6 N73P3-T5 PolarHBondContact O-N 3.15Å; P3-K6 HydrophobicContact CG-CD 3.95Å; P3-K6 HydrophobicContact CG-CG 4.11Å; P3-K6 PolarHBondContact O-N 3.24Å; P3-N73 WeakPolarHBondContact CB-OD1 3.37Å
4V90.9Very high92.2Very high0 Ų054.6 Ų54.60%028%0.277CS..G310 helixtrans-59.3-34.6-173.5-175.30000111.2M1 K6 W7 G37 L41 L69 N73M1-V4 HydrophobicContact CE-CG2 4.16Å; V4-K6 PolarHBondContact O-N 3.09Å; V4-W7 HydrophobicContact CB-CD2 4.48Å; V4-W7 HydrophobicContact CB-CZ2 4.3Å; V4-W7 HydrophobicContact CG1-CD2 4.02Å; V4-W7 HydrophobicContact CG1-CE3 4.03Å; V4-W7 HydrophobicContact CG1-CH2 4.21Å; V4-W7 HydrophobicContact CG1-CZ2 4.22Å; V4-W7 HydrophobicContact CG1-CZ3 4.13Å; V4-W7 HydrophobicContact CG2-CH2 4.15Å; V4-W7 HydrophobicContact CG2-CZ2 3.68Å; V4-W7 WeakPolarHBondContact O-CB 3.46Å; V4-W7 PolarHBondContact O-N 3.3Å; V4-G37 CarbonylContact O-C 3.55Å; V4-G37 WeakPolarHBondContact O-CA 3.25Å; V4-L41 HydrophobicContact CB-CD1 3.96Å; V4-L41 HydrophobicContact CB-CD2 4.14Å; V4-L41 HydrophobicContact CB-CG 4.29Å; V4-L41 HydrophobicContact CG1-CD1 3.99Å; V4-L41 HydrophobicContact CG1-CD2 3.82Å; V4-L41 HydrophobicContact CG1-CG 3.84Å; V4-L69 HydrophobicContact CG1-CB 4.49Å; V4-L69 HydrophobicContact CG1-CD1 4.17Å; V4-L69 HydrophobicContact CG2-CB 4.47Å; V4-L69 HydrophobicContact CG2-CD2 4.43Å; V4-N73 HydrophobicContact CB-CB 4.21Å; V4-N73 HydrophobicContact CG2-CB 3.97Å; V4-N73 PolarHBondContact N-OD1 3.3Å
5T91.3Very high92.5Very high53 Ų5351.1 Ų51.133%0.32526%0.259SS..G310 helixtrans-56.6-20.6175.152.10000115P3 L41P3-T5 PolarHBondContact O-N 3.15Å; T5-L41 HydrophobicContact CG2-CD1 3.46Å; T5-L41 VanDerWaalsContact CG2-CD1 3.46Å
6K93.3Very high92.7Very high143 Ų14347.9 Ų47.962%0.62224%0.243SC*.G310 helixtrans-97.3-5.2179.1-67.6-174.8-179.9-177.90114.2E2 P3 V4 S8E2-K6 HydrophobicContact CG-CB 3.88Å; P3-K6 HydrophobicContact CG-CD 3.95Å; P3-K6 HydrophobicContact CG-CG 4.11Å; P3-K6 PolarHBondContact O-N 3.24Å; V4-K6 PolarHBondContact O-N 3.09Å; K6-S8 PolarHBondContact O-N 2.97Å
7W95.9Very high92.9Very high8 Ų850.5 Ų50.53%0.0325%0.249CC..  trans-61.8129.2-175.4-70.16.7000111.9E2 V4 Q11 V12 W15 G37 L69 T265E2-W7 PolarHBondContact O-NE1 3.04Å; V4-W7 HydrophobicContact CB-CD2 4.48Å; V4-W7 HydrophobicContact CB-CZ2 4.3Å; V4-W7 HydrophobicContact CG1-CD2 4.02Å; V4-W7 HydrophobicContact CG1-CE3 4.03Å; V4-W7 HydrophobicContact CG1-CH2 4.21Å; V4-W7 HydrophobicContact CG1-CZ2 4.22Å; V4-W7 HydrophobicContact CG1-CZ3 4.13Å; V4-W7 HydrophobicContact CG2-CH2 4.15Å; V4-W7 HydrophobicContact CG2-CZ2 3.68Å; V4-W7 WeakPolarHBondContact O-CB 3.46Å; V4-W7 PolarHBondContact O-N 3.3Å; W7-Q11 HydrophobicContact CB-CB 3.89Å; W7-Q11 HydrophobicContact CD2-CB 4.34Å; W7-Q11 HydrophobicContact CE3-CB 4.49Å; W7-Q11 HydrophobicContact CG-CB 4.08Å; W7-V12 HydrophobicContact CB-CG2 4.33Å; W7-V12 HydrophobicContact CE3-CG2 4.4Å; W7-W15 HydrophobicContact CH2-CG 4.5Å; W7-W15 HydrophobicContact CZ3-CB 3.98Å; W7-W15 AromaticContact CZ3-CG 3.98Å; W7-W15 HydrophobicContact CZ3-CG 3.98Å; W7-G37 PolarHBondContact O-N 3.49Å; W7-L69 HydrophobicContact CH2-CD1 4.01Å; W7-L69 HydrophobicContact CH2-CD2 3.77Å; W7-L69 HydrophobicContact CZ3-CD1 3.9Å; W7-L69 HydrophobicContact CZ3-CD2 4.48Å; W7-T265 HydrophobicContact CH2-CG2 3.71Å; W7-T265 HydrophobicContact CZ2-CG2 3.86Å; W7-T265 WeakPolarHBondContact CZ2-OG1 3.45Å
8S96.1Very high92.9Very high47 Ų4747.7 Ų47.733%0.32924%0.236SC..  trans-61.6156.8167.9670000111.2K6 K10 Q11 V12K6-S8 PolarHBondContact O-N 2.97Å; S8-K10 PolarHBondContact O-N 2.87Å; S8-K10 VanDerWaalsContact O-N 3.07Å; S8-Q11 VanDerWaalsContact CB-OE1 3.31Å; S8-Q11 WeakPolarHBondContact O-CB 3.22Å; S8-Q11 PolarHBondContact O-N 3.3Å; S8-Q11 PolarHBondContact OG-N 2.97Å; S8-Q11 PolarHBondContact OG-OE1 2.6Å; S8-V12 PolarHBondContact O-N 3.07Å; S8-V12 VanDerWaalsContact O-N 3.13Å
9P96.6Very high93Very high44 Ų4445.4 Ų45.429%0.28622%0.224SC..Hα-helixtrans-57.1-26.8175.5-27.136.5000113.6V12 V13 K34 I35 N36P9-V12 PolarHBondContact O-N 2.79Å; P9-V13 WeakPolarHBondContact O-CB 3.45Å; P9-V13 WeakPolarHBondContact O-CG2 3.07Å; P9-V13 PolarHBondContact O-N 2.68Å; P9-K34 HydrophobicContact CB-CB 4.11Å; P9-K34 HydrophobicContact CG-CB 4.04Å; P9-K34 WeakPolarHBondContact CG-O 3.37Å; P9-I35 WeakPolarHBondContact CA-O 3.18Å; P9-N36 HydrophobicContact CG-CB 4.21Å
10K95.8Very high93Very high143 Ų14345.2 Ų45.262%0.62222%0.224SC*.Hα-helixtrans-65.8-45.7172.6-174.7-178.4173.9-1720111.9S8 V12 V13 D14S8-K10 PolarHBondContact O-N 2.87Å; S8-K10 VanDerWaalsContact O-N 3.07Å; K10-V12 VanDerWaalsContact C-N 3.31Å; K10-V12 PolarHBondContact O-N 2.71Å; K10-V13 PolarHBondContact O-N 3.3Å; K10-D14 WeakPolarHBondContact CE-OD2 3.19Å; K10-D14 WeakPolarHBondContact CG-OD2 3.44Å; K10-D14 WeakPolarHBondContact O-CB 3.47Å; K10-D14 PolarHBondContact O-N 2.87Å
11Q95.6Very high93Very high65 Ų6547.6 Ų47.630%0.30424%0.238SC..Hα-helixtrans-62.6-37.9176.7-75.8154.5-74.700111.7E2 W7 S8 W15E2-Q11 PolarHBondContact OE2-NE2 2.87Å; W7-Q11 HydrophobicContact CB-CB 3.89Å; W7-Q11 HydrophobicContact CD2-CB 4.34Å; W7-Q11 HydrophobicContact CE3-CB 4.49Å; W7-Q11 HydrophobicContact CG-CB 4.08Å; S8-Q11 VanDerWaalsContact CB-OE1 3.31Å; S8-Q11 WeakPolarHBondContact O-CB 3.22Å; S8-Q11 PolarHBondContact O-N 3.3Å; S8-Q11 PolarHBondContact OG-N 2.97Å; S8-Q11 PolarHBondContact OG-OE1 2.6Å; Q11-W15 WeakPolarHBondContact O-CB 3.14Å; Q11-W15 PolarHBondContact O-N 3Å
12V96.8Very high93.9Very high0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-61-51.6172.3170.30000110.9W7 S8 P9 K10 D14 W15 T16 F30 I35 L40W7-V12 HydrophobicContact CB-CG2 4.33Å; W7-V12 HydrophobicContact CE3-CG2 4.4Å; S8-V12 PolarHBondContact O-N 3.07Å; S8-V12 VanDerWaalsContact O-N 3.13Å; P9-V12 PolarHBondContact O-N 2.79Å; K10-V12 VanDerWaalsContact C-N 3.31Å; K10-V12 PolarHBondContact O-N 2.71Å; V12-D14 PolarHBondContact O-N 3.32Å; V12-W15 WeakPolarHBondContact O-CB 3.2Å; V12-W15 PolarHBondContact O-N 2.67Å; V12-W15 VanDerWaalsContact O-N 3.14Å; V12-T16 PolarHBondContact O-N 3.43Å; V12-T16 PolarHBondContact O-OG1 3.14Å; V12-F30 HydrophobicContact CG1-CD1 4.45Å; V12-I35 WeakPolarHBondContact CB-O 3.41Å; V12-I35 HydrophobicContact CG1-CG2 4.44Å; V12-I35 WeakPolarHBondContact CG2-O 3.44Å; V12-L40 HydrophobicContact CG1-CD1 4.33Å; V12-L40 HydrophobicContact CG1-CD2 4.09Å; V12-L40 HydrophobicContact CG2-CB 4.39Å; V12-L40 HydrophobicContact CG2-CD2 4.09Å
13V96.8Very high94.5Very high2 Ų241.4 Ų41.41%0.01221%0.211CC..Hα-helixtrans-62.8-40.91801680000112.2P9 K10 W15 T16 R17 V27 F30 E31P9-V13 WeakPolarHBondContact O-CB 3.45Å; P9-V13 WeakPolarHBondContact O-CG2 3.07Å; P9-V13 PolarHBondContact O-N 2.68Å; K10-V13 PolarHBondContact O-N 3.3Å; V13-W15 VanDerWaalsContact C-N 3.32Å; V13-W15 PolarHBondContact O-N 3.38Å; V13-T16 PolarHBondContact O-N 3.18Å; V13-R17 VanDerWaalsContact CG1-NH2 3.26Å; V13-R17 VanDerWaalsContact O-CG 3.3Å; V13-R17 WeakPolarHBondContact O-CG 3.37Å; V13-R17 PolarHBondContact O-N 3.12Å; V13-R17 VanDerWaalsContact O-N 3.12Å; V13-V27 HydrophobicContact CG1-CG1 3.85Å; V13-F30 HydrophobicContact CG2-CB 4.08Å; V13-E31 HydrophobicContact CG1-CB 4.16Å; V13-E31 HydrophobicContact CG1-CG 4.3Å; V13-E31 HydrophobicContact CG2-CB 3.7Å; V13-E31 HydrophobicContact CG2-CG 4.26Å
14D95.2Very high94.9Very high44 Ų4442.1 Ų42.124%0.23521%0.211CC..Hα-helixtrans-66.8-31.1174.9-75.2-29.5000112.2K10 V12 R17 W269K10-D14 WeakPolarHBondContact CE-OD2 3.19Å; K10-D14 WeakPolarHBondContact CG-OD2 3.44Å; K10-D14 WeakPolarHBondContact O-CB 3.47Å; K10-D14 PolarHBondContact O-N 2.87Å; V12-D14 PolarHBondContact O-N 3.32Å; D14-R17 IonicContact OD1-CZ 2.65Å; D14-R17 IonicContact OD1-NH1 2.7Å; D14-R17 PolarHBondContact OD1-NH1 3.29Å; D14-W269 WeakPolarHBondContact O-CZ2 3.39Å
15W96.4Very high95.1Very high1 Ų146.7 Ų46.70%0.00423%0.232CC..Hα-helixtrans-70.5-47.3169.5172.483.8000112.6W7 Q11 V12 V13 R17 G18 L19 L40 A65 V66 L69 V267 W269W7-W15 HydrophobicContact CH2-CG 4.5Å; W7-W15 HydrophobicContact CZ3-CB 3.98Å; W7-W15 AromaticContact CZ3-CG 3.98Å; W7-W15 HydrophobicContact CZ3-CG 3.98Å; Q11-W15 WeakPolarHBondContact O-CB 3.14Å; Q11-W15 PolarHBondContact O-N 3Å; V12-W15 WeakPolarHBondContact O-CB 3.2Å; V12-W15 PolarHBondContact O-N 2.67Å; V12-W15 VanDerWaalsContact O-N 3.14Å; V13-W15 VanDerWaalsContact C-N 3.32Å; V13-W15 PolarHBondContact O-N 3.38Å; W15-R17 PolarHBondContact O-N 3.19Å; W15-G18 PolarHBondContact O-N 3.41Å; W15-L19 HydrophobicContact CE3-CD1 4.37Å; W15-L19 HydrophobicContact CH2-CD1 3.88Å; W15-L19 HydrophobicContact CH2-CD2 4.18Å; W15-L19 HydrophobicContact CZ2-CD1 4.37Å; W15-L19 HydrophobicContact CZ2-CD2 3.82Å; W15-L19 HydrophobicContact CZ3-CD1 3.86Å; W15-L40 HydrophobicContact CE3-CD2 3.92Å; W15-L40 HydrophobicContact CZ3-CD1 3.93Å; W15-L40 HydrophobicContact CZ3-CD2 3.88Å; W15-L40 HydrophobicContact CZ3-CG 4.45Å; W15-A65 HydrophobicContact CH2-CB 3.78Å; W15-A65 HydrophobicContact CZ2-CB 3.67Å; W15-V66 HydrophobicContact CH2-CG2 3.98Å; W15-L69 HydrophobicContact CD2-CD1 4.01Å; W15-L69 HydrophobicContact CE3-CD1 4.41Å; W15-L69 HydrophobicContact CH2-CD1 3.96Å; W15-L69 HydrophobicContact CZ2-CD1 3.49Å; W15-L69 VanDerWaalsContact CZ2-CD1 3.49Å; W15-L69 HydrophobicContact CZ2-CG 3.86Å; W15-L69 HydrophobicContact CZ3-CD1 4.4Å; W15-V267 PolarHBondContact NE1-O 2.96Å; W15-W269 AromaticContact CD1-CD1 3.77Å; W15-W269 AromaticContact CD1-NE1 3.25Å; W15-W269 AromaticContact CG-NE1 3.84Å; W15-W269 AromaticContact NE1-CD1 3.81Å; W15-W269 AromaticContact NE1-NE1 3.76Å; W15-W269 PolarHBondContact O-NE1 3.38Å
16T96.1Very high95.3Very high1 Ų144.7 Ų44.71%0.00622%0.219CC..Hα-helixtrans-59.4-33.7-179.7-53.60000111.8V12 V13 G18 L19 V27 F30V12-T16 PolarHBondContact O-N 3.43Å; V12-T16 PolarHBondContact O-OG1 3.14Å; V13-T16 PolarHBondContact O-N 3.18Å; T16-G18 PolarHBondContact O-N 2.88Å; T16-G18 VanDerWaalsContact O-N 3.17Å; T16-L19 HydrophobicContact CG2-CD1 4.24Å; T16-L19 PolarHBondContact O-N 2.75Å; T16-V27 HydrophobicContact CG2-CG2 3.95Å; T16-F30 HydrophobicContact CG2-CD2 4.13Å; T16-F30 HydrophobicContact CG2-CE2 4.18Å
17R95.5Very high95.4Very high91 Ų9138.4 Ų38.434%0.34319%0.192SC..THydrogen-bonded Turntrans-59-21.9173.9-74.5167.9-177.3146.84.8113.9V13 D14 W15 Q24 V27 E31V13-R17 VanDerWaalsContact CG1-NH2 3.26Å; V13-R17 VanDerWaalsContact O-CG 3.3Å; V13-R17 WeakPolarHBondContact O-CG 3.37Å; V13-R17 PolarHBondContact O-N 3.12Å; V13-R17 VanDerWaalsContact O-N 3.12Å; D14-R17 IonicContact OD1-CZ 2.65Å; D14-R17 IonicContact OD1-NH1 2.7Å; D14-R17 PolarHBondContact OD1-NH1 3.29Å; W15-R17 PolarHBondContact O-N 3.19Å; R17-Q24 PolarHBondContact O-NE2 3.22Å; R17-Q24 PolarHBondContact O-OE1 3.18Å; R17-V27 HydrophobicContact CG-CG1 3.62Å; R17-V27 HydrophobicContact CG-CG2 4.07Å; R17-E31 IonicContact NH2-OE1 3.16Å; R17-E31 PolarHBondContact NH2-OE1 2.84Å; R17-E31 VanDerWaalsContact NH2-OE1 3.13Å; R17-E31 IonicContact NH2-OE2 2.72Å; R17-E31 PolarHBondContact NH2-OE2 2.96Å
18G93.6Very high95.4Very high1 Ų142.8 Ų42.81%0.0121%0.213CC..THydrogen-bonded Turntrans-93.2-4.7-18000000116.4W15 T16 W269 Q270 N273W15-G18 PolarHBondContact O-N 3.41Å; T16-G18 PolarHBondContact O-N 2.88Å; T16-G18 VanDerWaalsContact O-N 3.17Å; G18-W269 WeakPolarHBondContact O-CA 3.31Å; G18-W269 WeakPolarHBondContact O-CB 3.4Å; G18-Q270 PolarHBondContact O-N 2.77Å; G18-Q270 VanDerWaalsContact O-N 3.11Å; G18-N273 WeakPolarHBondContact O-CB 3.49Å; G18-N273 PolarHBondContact O-ND2 3.2Å
19L94.4Very high95.3Very high3 Ų342.4 Ų42.42%0.01621%0.205CC..SBendtrans-73-151.7177-53.1-178.3000111.6W15 T16 L23 A65 G268 N273W15-L19 HydrophobicContact CE3-CD1 4.37Å; W15-L19 HydrophobicContact CH2-CD1 3.88Å; W15-L19 HydrophobicContact CH2-CD2 4.18Å; W15-L19 HydrophobicContact CZ2-CD1 4.37Å; W15-L19 HydrophobicContact CZ2-CD2 3.82Å; W15-L19 HydrophobicContact CZ3-CD1 3.86Å; T16-L19 HydrophobicContact CG2-CD1 4.24Å; T16-L19 PolarHBondContact O-N 2.75Å; L19-L23 HydrophobicContact CB-CD1 3.84Å; L19-L23 HydrophobicContact CD1-CD1 3.99Å; L19-A65 HydrophobicContact CD1-CB 4.3Å; L19-A65 HydrophobicContact CD2-CB 3.73Å; L19-G268 VanDerWaalsContact CD2-O 3.3Å; L19-G268 WeakPolarHBondContact CD2-O 3.38Å; L19-N273 PolarHBondContact O-ND2 3.48Å
20D93.2Very high95.3Very high41 Ų4140.4 Ų40.422%0.21919%0.192CC..  trans-65.5155.3177.8-160.3-68.3000112.8C22 L23 Q24 L61 Q270D20-C22 VanDerWaalsContact C-N 3.25Å; D20-C22 PolarHBondContact O-N 3.49Å; D20-C22 WeakPolarHBondContact OD1-CB 3.24Å; D20-C22 PolarHBondContact OD1-N 3.25Å; D20-C22 PolarHBondContact OD1-SG 2.83Å; D20-C22 VanDerWaalsContact OD1-SG 3.41Å; D20-L23 HydrophobicContact CB-CD1 4.26Å; D20-L23 HydrophobicContact CB-CG 4.16Å; D20-L23 PolarHBondContact O-N 3.18Å; D20-Q24 PolarHBondContact O-NE2 2.83Å; D20-L61 HydrophobicContact CB-CD1 4.38Å; D20-Q270 PolarHBondContact OD2-NE2 2.74Å
21D93.3Very high95.3Very high97 Ų9738.2 Ų38.252%0.51918%0.184SC..G310 helixtrans-64.8-33172.8-67-11000111L23 Q24 K272D21-L23 PolarHBondContact O-N 3.47Å; D21-Q24 WeakPolarHBondContact O-CB 3.29Å; D21-Q24 WeakPolarHBondContact O-CG 3.36Å; D21-Q24 PolarHBondContact O-N 2.83Å; D21-K272 VanDerWaalsContact OD1-CE 3.24Å; D21-K272 WeakPolarHBondContact OD1-CE 3.25Å; D21-K272 IonicContact OD1-NZ 3.58Å; D21-K272 PolarHBondContact OD1-NZ 3Å; D21-K272 IonicContact OD2-NZ 3.22Å; D21-K272 PolarHBondContact OD2-NZ 2.63Å
22C94.6Very high95.3Very high34 Ų3441.4 Ų41.423%0.2319%0.193CC..G310 helixtrans-65.4-19.7177.983.10000112.8D20 Q25D20-C22 VanDerWaalsContact C-N 3.25Å; D20-C22 PolarHBondContact O-N 3.49Å; D20-C22 WeakPolarHBondContact OD1-CB 3.24Å; D20-C22 PolarHBondContact OD1-N 3.25Å; D20-C22 PolarHBondContact OD1-SG 2.83Å; D20-C22 VanDerWaalsContact OD1-SG 3.41Å; C22-Q25 PolarHBondContact O-NE2 3.19Å
23L95.3Very high95.2Very high2 Ų246 Ų461%0.0121%0.214CC..G310 helixtrans-90.5-16.1179.7-61.8178.7000113.5L19 D20 D21 Q25 Y26 H58 L61 V62L19-L23 HydrophobicContact CB-CD1 3.84Å; L19-L23 HydrophobicContact CD1-CD1 3.99Å; D20-L23 HydrophobicContact CB-CD1 4.26Å; D20-L23 HydrophobicContact CB-CG 4.16Å; D20-L23 PolarHBondContact O-N 3.18Å; D21-L23 PolarHBondContact O-N 3.47Å; L23-Q25 PolarHBondContact O-N 3.26Å; L23-Q25 VanDerWaalsContact O-N 3.12Å; L23-Y26 HydrophobicContact CD2-CD2 4.08Å; L23-Y26 HydrophobicContact CD2-CE2 4.12Å; L23-Y26 WeakPolarHBondContact O-CD2 3.31Å; L23-Y26 PolarHBondContact O-N 2.79Å; L23-H58 HydrophobicContact CD2-CB 3.83Å; L23-H58 WeakPolarHBondContact CD2-O 3.4Å; L23-L61 HydrophobicContact CD1-CB 4.07Å; L23-V62 HydrophobicContact CD1-CG2 3.76Å; L23-V62 HydrophobicContact CD2-CG2 3.86Å; L23-V62 HydrophobicContact CG-CG2 4.4Å
24Q95.4Very high95.1Very high65 Ų6552.9 Ų52.930%0.30424%0.244SC..Hα-helixtrans-58.9-31.3-177.1-56.2-59.1-44.500112.4R17 D20 D21 Y26 V27R17-Q24 PolarHBondContact O-NE2 3.22Å; R17-Q24 PolarHBondContact O-OE1 3.18Å; D20-Q24 PolarHBondContact O-NE2 2.83Å; D21-Q24 WeakPolarHBondContact O-CB 3.29Å; D21-Q24 WeakPolarHBondContact O-CG 3.36Å; D21-Q24 PolarHBondContact O-N 2.83Å; Q24-Y26 PolarHBondContact O-N 2.97Å; Q24-Y26 VanDerWaalsContact O-N 3.11Å; Q24-V27 WeakPolarHBondContact O-CB 3.36Å; Q24-V27 PolarHBondContact O-N 2.72Å
25Q95Very high95.2Very high95 Ų9551.7 Ų51.744%0.44424%0.238SC..Hα-helixtrans-60.6-17.3174.973.3-172.9-64.300114.3C22 L23 H28C22-Q25 PolarHBondContact O-NE2 3.19Å; L23-Q25 PolarHBondContact O-N 3.26Å; L23-Q25 VanDerWaalsContact O-N 3.12Å; Q25-H28 PolarHBondContact O-CE1 3.07Å; Q25-H28 PolarHBondContact O-ND1 2.99Å
26Y96Very high95.2Very high12 Ų1254.1 Ų54.15%0.04725%0.251CS..Hα-helixtrans-101.9-12.8179.4-50.5-63.9000114L23 Q24 H28 K29 F30 G52 V53 H58L23-Y26 HydrophobicContact CD2-CD2 4.08Å; L23-Y26 HydrophobicContact CD2-CE2 4.12Å; L23-Y26 WeakPolarHBondContact O-CD2 3.31Å; L23-Y26 PolarHBondContact O-N 2.79Å; Q24-Y26 PolarHBondContact O-N 2.97Å; Q24-Y26 VanDerWaalsContact O-N 3.11Å; Y26-H28 PolarHBondContact O-N 3.29Å; Y26-K29 HydrophobicContact CD1-CD 4.28Å; Y26-K29 WeakPolarHBondContact O-CA 3.23Å; Y26-K29 VanDerWaalsContact O-CB 3.23Å; Y26-K29 WeakPolarHBondContact O-CB 3.42Å; Y26-K29 PolarHBondContact O-N 3.06Å; Y26-F30 WeakPolarHBondContact O-CD2 3.29Å; Y26-F30 PolarHBondContact O-N 2.86Å; Y26-G52 WeakPolarHBondContact CE1-O 3.29Å; Y26-V53 HydrophobicContact CD1-CG2 3.84Å; Y26-V53 HydrophobicContact CD2-CG1 4.15Å; Y26-V53 HydrophobicContact CD2-CG2 4.11Å; Y26-V53 HydrophobicContact CE1-CB 4.43Å; Y26-V53 HydrophobicContact CE1-CG1 4.46Å; Y26-V53 HydrophobicContact CE1-CG2 4.23Å; Y26-V53 HydrophobicContact CE2-CG1 3.87Å; Y26-V53 HydrophobicContact CE2-CG2 4.49Å; Y26-V53 HydrophobicContact CG-CG2 3.78Å; Y26-H58 HydrophobicContact CE2-CB 4.13Å; Y26-H58 AromaticContact CE2-ND1 3.33Å; Y26-H58 VanDerWaalsContact CE2-ND1 3.33Å; Y26-H58 WeakPolarHBondContact CE2-ND1 3.34Å; Y26-H58 AromaticContact CZ-ND1 3.55Å; Y26-H58 PolarHBondContact OH-ND1 2.88Å
27V95.8Very high95.1Very high10 Ų1054 Ų546%0.06125%0.25CS..Hα-helixtrans-52.2-43.4-176.5170.20000111.9V13 T16 R17 Q24 K29 F30 E31V13-V27 HydrophobicContact CG1-CG1 3.85Å; T16-V27 HydrophobicContact CG2-CG2 3.95Å; R17-V27 HydrophobicContact CG-CG1 3.62Å; R17-V27 HydrophobicContact CG-CG2 4.07Å; Q24-V27 WeakPolarHBondContact O-CB 3.36Å; Q24-V27 PolarHBondContact O-N 2.72Å; V27-K29 PolarHBondContact O-N 3.18Å; V27-K29 VanDerWaalsContact O-N 3.1Å; V27-F30 PolarHBondContact O-N 2.63Å; V27-E31 PolarHBondContact O-N 3.08Å; V27-E31 VanDerWaalsContact O-N 3.08Å
28H95.5Very high95Very high101 Ų10154.7 Ų54.747%0.46826%0.257SS..Hα-helixtrans-62.3-17.817876.8-93.4000114.1Q25 Y26 R32Q25-H28 PolarHBondContact O-CE1 3.07Å; Q25-H28 PolarHBondContact O-ND1 2.99Å; Y26-H28 PolarHBondContact O-N 3.29Å; H28-R32 VanDerWaalsContact O-CB 3.31Å; H28-R32 WeakPolarHBondContact O-CB 3.39Å; H28-R32 PolarHBondContact O-N 2.94Å; H28-R32 VanDerWaalsContact O-N 3.1Å
29K95.2Very high95.1Very high39 Ų3959 Ų5917%0.1728%0.277CS..Hα-helixtrans-86.3-44.5178.7-50.5-172.4-178.9-176.10111.3Y26 V27 E31 R32 E33 L51 G52Y26-K29 HydrophobicContact CD1-CD 4.28Å; Y26-K29 WeakPolarHBondContact O-CA 3.23Å; Y26-K29 VanDerWaalsContact O-CB 3.23Å; Y26-K29 WeakPolarHBondContact O-CB 3.42Å; Y26-K29 PolarHBondContact O-N 3.06Å; V27-K29 PolarHBondContact O-N 3.18Å; V27-K29 VanDerWaalsContact O-N 3.1Å; K29-E31 PolarHBondContact O-N 3.02Å; K29-R32 PolarHBondContact O-N 3.01Å; K29-R32 VanDerWaalsContact O-N 3.14Å; K29-E33 PolarHBondContact O-N 2.84Å; K29-L51 WeakPolarHBondContact CD-O 3.47Å; K29-L51 PolarHBondContact NZ-O 2.91Å; K29-G52 VanDerWaalsContact NZ-C 3.32Å; K29-G52 PolarHBondContact NZ-O 3.06Å
30F95.5Very high95.2Very high2 Ų258.9 Ų58.91%0.00928%0.277CS..Hα-helixtrans-55.9-38.7168.5-71.6-91.7000111V12 V13 T16 Y26 V27 K34 I35 I43 L48 L51 V62V12-F30 HydrophobicContact CG1-CD1 4.45Å; V13-F30 HydrophobicContact CG2-CB 4.08Å; T16-F30 HydrophobicContact CG2-CD2 4.13Å; T16-F30 HydrophobicContact CG2-CE2 4.18Å; Y26-F30 WeakPolarHBondContact O-CD2 3.29Å; Y26-F30 PolarHBondContact O-N 2.86Å; V27-F30 PolarHBondContact O-N 2.63Å; F30-K34 WeakPolarHBondContact O-CA 3.16Å; F30-K34 PolarHBondContact O-N 3.28Å; F30-I35 HydrophobicContact CD1-CB 4.09Å; F30-I35 HydrophobicContact CD1-CG1 3.99Å; F30-I35 HydrophobicContact CD1-CG2 4.3Å; F30-I35 PolarHBondContact O-N 2.62Å; F30-I43 HydrophobicContact CE1-CD1 3.95Å; F30-I43 HydrophobicContact CZ-CD1 4.45Å; F30-L48 HydrophobicContact CZ-CD2 4.09Å; F30-L51 HydrophobicContact CD1-CD1 4.44Å; F30-L51 HydrophobicContact CE1-CD1 4.02Å; F30-L51 HydrophobicContact CZ-CD1 4.21Å; F30-V62 HydrophobicContact CZ-CG1 4.42Å
31E95.5Very high95.3Very high96 Ų9657.8 Ų57.845%0.44927%0.27SS..Hα-helixtrans-69.3-38.6176.1-166159.1-14500112.9V13 R17 V27 K29V13-E31 HydrophobicContact CG1-CB 4.16Å; V13-E31 HydrophobicContact CG1-CG 4.3Å; V13-E31 HydrophobicContact CG2-CB 3.7Å; V13-E31 HydrophobicContact CG2-CG 4.26Å; R17-E31 IonicContact NH2-OE1 3.16Å; R17-E31 PolarHBondContact NH2-OE1 2.84Å; R17-E31 VanDerWaalsContact NH2-OE1 3.13Å; R17-E31 IonicContact NH2-OE2 2.72Å; R17-E31 PolarHBondContact NH2-OE2 2.96Å; V27-E31 PolarHBondContact O-N 3.08Å; V27-E31 VanDerWaalsContact O-N 3.08Å; K29-E31 PolarHBondContact O-N 3.02Å
32R95.6Very high95.3Very high133 Ų13359.5 Ų59.550%0.50228%0.275SS..Hα-helixtrans-70.6-49.1177.6-174.9-176.267.5-119.9-8.2113H28 K29 K34H28-R32 VanDerWaalsContact O-CB 3.31Å; H28-R32 WeakPolarHBondContact O-CB 3.39Å; H28-R32 PolarHBondContact O-N 2.94Å; H28-R32 VanDerWaalsContact O-N 3.1Å; K29-R32 PolarHBondContact O-N 3.01Å; K29-R32 VanDerWaalsContact O-N 3.14Å; R32-K34 PolarHBondContact O-N 3.01Å
33E95.4Very high95.3Very high95 Ų9558.8 Ų58.844%0.44427%0.269SS..Hα-helixtrans-77.6-5.2178.3-50.5-42.1148.400112.8K29 I35 L51K29-E33 PolarHBondContact O-N 2.84Å; E33-I35 VanDerWaalsContact C-N 3.32Å; E33-I35 HydrophobicContact CB-CD1 3.98Å; E33-I35 HydrophobicContact CB-CG1 4.29Å; E33-I35 PolarHBondContact O-N 3.3Å; E33-L51 HydrophobicContact CB-CD2 4.09Å; E33-L51 HydrophobicContact CG-CD2 3.59Å
34K95.8Very high95.3Very high147 Ų14760.9 Ų60.964%0.63928%0.284SS*.THydrogen-bonded Turntrans54.843.8177.3-57.6176.2-176.1173.70113P9 F30 R32 N36P9-K34 HydrophobicContact CB-CB 4.11Å; P9-K34 HydrophobicContact CG-CB 4.04Å; P9-K34 WeakPolarHBondContact CG-O 3.37Å; F30-K34 WeakPolarHBondContact O-CA 3.16Å; F30-K34 PolarHBondContact O-N 3.28Å; R32-K34 PolarHBondContact O-N 3.01Å; K34-N36 PolarHBondContact O-N 3.21Å; K34-N36 VanDerWaalsContact O-N 3.11Å
35I96.2Very high95.2Very high19 Ų1960.6 Ų60.610%0.09728%0.282CS..  trans-56.9116178.1-56.2-56.7000109.5P9 V12 F30 E33 Q39 L40 L51P9-I35 WeakPolarHBondContact CA-O 3.18Å; V12-I35 WeakPolarHBondContact CB-O 3.41Å; V12-I35 HydrophobicContact CG1-CG2 4.44Å; V12-I35 WeakPolarHBondContact CG2-O 3.44Å; F30-I35 HydrophobicContact CD1-CB 4.09Å; F30-I35 HydrophobicContact CD1-CG1 3.99Å; F30-I35 HydrophobicContact CD1-CG2 4.3Å; F30-I35 PolarHBondContact O-N 2.62Å; E33-I35 VanDerWaalsContact C-N 3.32Å; E33-I35 HydrophobicContact CB-CD1 3.98Å; E33-I35 HydrophobicContact CB-CG1 4.29Å; E33-I35 PolarHBondContact O-N 3.3Å; I35-Q39 HydrophobicContact CG2-CB 3.98Å; I35-L40 HydrophobicContact CG2-CB 4.38Å; I35-L51 HydrophobicContact CD1-CD1 4.5Å; I35-L51 HydrophobicContact CD1-CD2 4.35Å; I35-L51 HydrophobicContact CG1-CD1 4.38Å; I35-L51 HydrophobicContact CG1-CD2 4.28Å
36N95.8Very high95.2Very high52 Ų5261.4 Ų61.428%0.27829%0.286SS..  trans-86.9174.5177.477.827.9000111.6P9 K34 E38 Q39 L40P9-N36 HydrophobicContact CG-CB 4.21Å; K34-N36 PolarHBondContact O-N 3.21Å; K34-N36 VanDerWaalsContact O-N 3.11Å; N36-E38 PolarHBondContact O-N 3.4Å; N36-E38 WeakPolarHBondContact OD1-CA 3.45Å; N36-E38 WeakPolarHBondContact OD1-CB 3.25Å; N36-E38 PolarHBondContact OD1-N 3.44Å; N36-Q39 VanDerWaalsContact CG-OE1 3.28Å; N36-Q39 PolarHBondContact O-N 3.16Å; N36-Q39 WeakPolarHBondContact OD1-CG 3.42Å; N36-Q39 PolarHBondContact OD1-N 2.89Å; N36-L40 WeakPolarHBondContact O-CB 3.33Å; N36-L40 PolarHBondContact O-N 2.92Å
37G94.9Very high95.2Very high0 Ų064.2 Ų64.20%030%0.302CS..Hα-helixtrans-67-28.1-177.100000115.9V4 W7 L41V4-G37 CarbonylContact O-C 3.55Å; V4-G37 WeakPolarHBondContact O-CA 3.25Å; W7-G37 PolarHBondContact O-N 3.49Å; G37-L41 WeakPolarHBondContact O-CD1 3.46Å; G37-L41 VanDerWaalsContact O-CG 3.29Å; G37-L41 WeakPolarHBondContact O-CG 3.34Å; G37-L41 PolarHBondContact O-N 3.22Å
38E94.1Very high95.2Very high105 Ų10563.7 Ų63.749%0.49130%0.299SS..Hα-helixtrans-72-44.3173.9178.9172.6-149.400111.3N36 L40 L41 Q42N36-E38 PolarHBondContact O-N 3.4Å; N36-E38 WeakPolarHBondContact OD1-CA 3.45Å; N36-E38 WeakPolarHBondContact OD1-CB 3.25Å; N36-E38 PolarHBondContact OD1-N 3.44Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L41 PolarHBondContact O-N 2.91Å; E38-Q42 PolarHBondContact O-N 3.47Å
39Q95.2Very high95.1Very high92 Ų9263.2 Ų63.243%0.4330%0.297SS..Hα-helixtrans-62.8-39.9174-66.4171.5-64.200111.5I35 N36 L41 Q42 I43I35-Q39 HydrophobicContact CG2-CB 3.98Å; N36-Q39 VanDerWaalsContact CG-OE1 3.28Å; N36-Q39 PolarHBondContact O-N 3.16Å; N36-Q39 WeakPolarHBondContact OD1-CG 3.42Å; N36-Q39 PolarHBondContact OD1-N 2.89Å; Q39-L41 VanDerWaalsContact C-N 3.33Å; Q39-L41 PolarHBondContact O-N 2.75Å; Q39-Q42 PolarHBondContact O-N 2.89Å; Q39-I43 PolarHBondContact O-N 3.34Å; Q39-I43 VanDerWaalsContact O-N 3.16Å
40L96.7Very high95.1Very high0 Ų068.2 Ų68.20%032%0.321CS..Hα-helixtrans-60.6-39.8177.6-178.867.6000112.4V12 W15 I35 N36 E38 Q42 I43 V66 L69V12-L40 HydrophobicContact CG1-CD1 4.33Å; V12-L40 HydrophobicContact CG1-CD2 4.09Å; V12-L40 HydrophobicContact CG2-CB 4.39Å; V12-L40 HydrophobicContact CG2-CD2 4.09Å; W15-L40 HydrophobicContact CE3-CD2 3.92Å; W15-L40 HydrophobicContact CZ3-CD1 3.93Å; W15-L40 HydrophobicContact CZ3-CD2 3.88Å; W15-L40 HydrophobicContact CZ3-CG 4.45Å; I35-L40 HydrophobicContact CG2-CB 4.38Å; N36-L40 WeakPolarHBondContact O-CB 3.33Å; N36-L40 PolarHBondContact O-N 2.92Å; E38-L40 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 2.71Å; L40-I43 WeakPolarHBondContact O-CG2 3.27Å; L40-V66 HydrophobicContact CD1-CG2 3.81Å; L40-V66 HydrophobicContact CG-CG2 4.1Å; L40-V66 VanDerWaalsContact O-CG1 3.28Å; L40-V66 WeakPolarHBondContact O-CG1 3.11Å; L40-L69 HydrophobicContact CD2-CD1 3.79Å
41L94.3Very high95Very high17 Ų1768.7 Ų68.79%0.08932%0.323CS..Hα-helixtrans-73-14.5179.2-68.9166.2000113.7V4 T5 G37 E38 Q39 L69 C70V4-L41 HydrophobicContact CB-CD1 3.96Å; V4-L41 HydrophobicContact CB-CD2 4.14Å; V4-L41 HydrophobicContact CB-CG 4.29Å; V4-L41 HydrophobicContact CG1-CD1 3.99Å; V4-L41 HydrophobicContact CG1-CD2 3.82Å; V4-L41 HydrophobicContact CG1-CG 3.84Å; T5-L41 HydrophobicContact CG2-CD1 3.46Å; T5-L41 VanDerWaalsContact CG2-CD1 3.46Å; G37-L41 WeakPolarHBondContact O-CD1 3.46Å; G37-L41 VanDerWaalsContact O-CG 3.29Å; G37-L41 WeakPolarHBondContact O-CG 3.34Å; G37-L41 PolarHBondContact O-N 3.22Å; E38-L41 PolarHBondContact O-N 2.91Å; Q39-L41 VanDerWaalsContact C-N 3.33Å; Q39-L41 PolarHBondContact O-N 2.75Å; L41-L69 HydrophobicContact CD2-CB 4.2Å; L41-C70 HydrophobicContact CD2-CB 4.47Å; L41-C70 WeakPolarHBondContact CD2-SG 3.49Å
42Q93.6Very high94.9Very high133 Ų13365.1 Ų65.162%0.62131%0.313SS*.THydrogen-bonded Turntrans-110.74.3-178.6-62.6179.937.900112.6E38 Q39 L40 S44E38-Q42 PolarHBondContact O-N 3.47Å; Q39-Q42 PolarHBondContact O-N 2.89Å; L40-Q42 PolarHBondContact O-N 2.71Å; Q42-S44 PolarHBondContact O-N 3.49Å
43I94.9Very high94.9Very high19 Ų1958.8 Ų58.810%0.09729%0.289CS..  trans-67.5129.9-171.9-156.7173.7000111.7F30 Q39 L40 D47 L48 L51 L63 V66F30-I43 HydrophobicContact CE1-CD1 3.95Å; F30-I43 HydrophobicContact CZ-CD1 4.45Å; Q39-I43 PolarHBondContact O-N 3.34Å; Q39-I43 VanDerWaalsContact O-N 3.16Å; L40-I43 WeakPolarHBondContact O-CG2 3.27Å; I43-D47 HydrophobicContact CG1-CB 3.73Å; I43-L48 HydrophobicContact CD1-CD2 3.68Å; I43-L48 HydrophobicContact CD1-CG 3.99Å; I43-L48 HydrophobicContact CG1-CD2 4.37Å; I43-L48 HydrophobicContact CG1-CG 4.12Å; I43-L51 HydrophobicContact CD1-CD1 3.85Å; I43-L63 HydrophobicContact CG2-CD2 4.05Å; I43-L63 VanDerWaalsContact O-CD2 3.23Å; I43-L63 WeakPolarHBondContact O-CD2 3.49Å; I43-V66 HydrophobicContact CG2-CG1 4.36Å; I43-V66 HydrophobicContact CG2-CG2 4.04Å
44S94.1Very high94.8Very high46 Ų4659 Ų5932%0.32230%0.297SS..  trans-107.5173.7179.374.70000112.6Q42 Q46 D47 L48Q42-S44 PolarHBondContact O-N 3.49Å; S44-Q46 PolarHBondContact O-N 3.01Å; S44-Q46 PolarHBondContact OG-N 3.39Å; S44-D47 VanDerWaalsContact CB-OD2 3.25Å; S44-D47 WeakPolarHBondContact CB-OD2 3.47Å; S44-D47 PolarHBondContact N-OD2 2.8Å; S44-D47 PolarHBondContact O-N 2.88Å; S44-D47 PolarHBondContact OG-N 3.18Å; S44-D47 PolarHBondContact OG-OD2 3.47Å; S44-L48 WeakPolarHBondContact O-CG 3.38Å; S44-L48 PolarHBondContact O-N 3.35Å
45H93.6Very high94.8Very high59 Ų5958.9 Ų58.927%0.27329%0.292SS..Hα-helixtrans-54-37.4168.7-63.283000112L48 E49 Q59 E60 L63H45-L48 PolarHBondContact O-N 3.45Å; H45-E49 WeakPolarHBondContact O-CG 3.39Å; H45-E49 PolarHBondContact O-N 2.97Å; H45-Q59 PolarHBondContact CD2-OE1 2.85Å; H45-E60 IonicContact CE1-OE1 2.79Å; H45-E60 IonicContact NE2-OE1 3.21Å; H45-E60 PolarHBondContact NE2-OE1 3.43Å; H45-L63 WeakPolarHBondContact CE1-CD1 3.37Å; H45-L63 VanDerWaalsContact NE2-CD1 3.34Å; H45-L63 WeakPolarHBondContact NE2-CD1 3.36Å
46Q95.1Very high94.7Very high112 Ų11262.6 Ų62.652%0.52331%0.311SS..Hα-helixtrans-66.5-47.9178.817963.335.100111.8S44 L48 E49 E50S44-Q46 PolarHBondContact O-N 3.01Å; S44-Q46 PolarHBondContact OG-N 3.39Å; Q46-L48 PolarHBondContact O-N 3.27Å; Q46-E49 PolarHBondContact O-N 3.34Å; Q46-E50 PolarHBondContact NE2-OE1 3.42Å; Q46-E50 PolarHBondContact O-N 3.43Å
47D95.4Very high94.6Very high71 Ų7162.4 Ų62.438%0.3832%0.322SS..Hα-helixtrans-61.6-35.8177.8-54.1-75.5000111.2I43 S44 E50 L51I43-D47 HydrophobicContact CG1-CB 3.73Å; S44-D47 VanDerWaalsContact CB-OD2 3.25Å; S44-D47 WeakPolarHBondContact CB-OD2 3.47Å; S44-D47 PolarHBondContact N-OD2 2.8Å; S44-D47 PolarHBondContact O-N 2.88Å; S44-D47 PolarHBondContact OG-N 3.18Å; S44-D47 PolarHBondContact OG-OD2 3.47Å; D47-E50 PolarHBondContact O-N 2.77Å; D47-L51 WeakPolarHBondContact O-CB 3.5Å; D47-L51 VanDerWaalsContact O-CG 3.31Å; D47-L51 WeakPolarHBondContact O-CG 3.42Å; D47-L51 PolarHBondContact O-N 3.06Å
48L96.3Very high94.6Very high0 Ų063.4 Ų63.40%033%0.327CS..Hα-helixtrans-67.4-36173.9-73.1168000112.2F30 I43 S44 H45 Q46 L51 G52 V53 Q59 V62 L63F30-L48 HydrophobicContact CZ-CD2 4.09Å; I43-L48 HydrophobicContact CD1-CD2 3.68Å; I43-L48 HydrophobicContact CD1-CG 3.99Å; I43-L48 HydrophobicContact CG1-CD2 4.37Å; I43-L48 HydrophobicContact CG1-CG 4.12Å; S44-L48 WeakPolarHBondContact O-CG 3.38Å; S44-L48 PolarHBondContact O-N 3.35Å; H45-L48 PolarHBondContact O-N 3.45Å; Q46-L48 PolarHBondContact O-N 3.27Å; L48-L51 HydrophobicContact CD2-CD1 4.49Å; L48-L51 CarbonylContact O-C 3.49Å; L48-G52 PolarHBondContact O-N 2.81Å; L48-G52 VanDerWaalsContact O-N 3.15Å; L48-V53 HydrophobicContact CB-CB 4.23Å; L48-V53 HydrophobicContact CD2-CB 4.45Å; L48-V53 HydrophobicContact CD2-CG2 4.17Å; L48-V53 WeakPolarHBondContact O-CA 3.3Å; L48-V53 VanDerWaalsContact O-CB 3.28Å; L48-V53 WeakPolarHBondContact O-CB 3.15Å; L48-V53 PolarHBondContact O-N 2.86Å; L48-Q59 HydrophobicContact CB-CG 4.12Å; L48-Q59 HydrophobicContact CD1-CB 4.1Å; L48-Q59 HydrophobicContact CD1-CG 4.47Å; L48-V62 HydrophobicContact CD1-CB 4.33Å; L48-V62 HydrophobicContact CD1-CG1 4.39Å; L48-V62 HydrophobicContact CD2-CB 4.3Å; L48-V62 HydrophobicContact CD2-CG1 3.97Å; L48-L63 HydrophobicContact CD1-CD1 4.07Å; L48-L63 HydrophobicContact CD1-CD2 3.76Å; L48-L63 HydrophobicContact CD1-CG 3.66Å
49E94.8Very high94.7Very high90 Ų9058.6 Ų58.642%0.42130%0.304SS..Hα-helixtrans-70-34.6172.4-71.6-163.9-17700113.4H45 Q46 G52 Q59H45-E49 WeakPolarHBondContact O-CG 3.39Å; H45-E49 PolarHBondContact O-N 2.97Å; Q46-E49 PolarHBondContact O-N 3.34Å; E49-G52 WeakPolarHBondContact O-CA 3.49Å; E49-G52 PolarHBondContact O-N 3.22Å; E49-Q59 PolarHBondContact OE1-NE2 2.83Å
50E94.4Very high94.7Very high144 Ų14455.9 Ų55.967%0.67329%0.291SS*.Hα-helixtrans-70.7-36.1173.5-69.3-177.3-153.500111.9Q46 D47 G52Q46-E50 PolarHBondContact NE2-OE1 3.42Å; Q46-E50 PolarHBondContact O-N 3.43Å; D47-E50 PolarHBondContact O-N 2.77Å; E50-G52 PolarHBondContact O-N 2.73Å; E50-G52 VanDerWaalsContact O-N 3.13Å
51L93.8Very high94.5Very high12 Ų1258.9 Ų58.96%0.06331%0.307CS..THydrogen-bonded Turntrans-66-2.8161.9-70.9165.3000112.7K29 F30 E33 I35 I43 D47 L48 V53K29-L51 WeakPolarHBondContact CD-O 3.47Å; K29-L51 PolarHBondContact NZ-O 2.91Å; F30-L51 HydrophobicContact CD1-CD1 4.44Å; F30-L51 HydrophobicContact CE1-CD1 4.02Å; F30-L51 HydrophobicContact CZ-CD1 4.21Å; E33-L51 HydrophobicContact CB-CD2 4.09Å; E33-L51 HydrophobicContact CG-CD2 3.59Å; I35-L51 HydrophobicContact CD1-CD1 4.5Å; I35-L51 HydrophobicContact CD1-CD2 4.35Å; I35-L51 HydrophobicContact CG1-CD1 4.38Å; I35-L51 HydrophobicContact CG1-CD2 4.28Å; I43-L51 HydrophobicContact CD1-CD1 3.85Å; D47-L51 WeakPolarHBondContact O-CB 3.5Å; D47-L51 VanDerWaalsContact O-CG 3.31Å; D47-L51 WeakPolarHBondContact O-CG 3.42Å; D47-L51 PolarHBondContact O-N 3.06Å; L48-L51 HydrophobicContact CD2-CD1 4.49Å; L48-L51 CarbonylContact O-C 3.49Å; L51-V53 HydrophobicContact CB-CG2 4.39Å; L51-V53 PolarHBondContact O-N 2.74Å
52G92.4Very high94.6Very high22 Ų2258.1 Ų58.123%0.22730%0.303CS..THydrogen-bonded Turntrans66.434.3177.900000113.7Y26 K29 L48 E49 E50 T54Y26-G52 WeakPolarHBondContact CE1-O 3.29Å; K29-G52 VanDerWaalsContact NZ-C 3.32Å; K29-G52 PolarHBondContact NZ-O 3.06Å; L48-G52 PolarHBondContact O-N 2.81Å; L48-G52 VanDerWaalsContact O-N 3.15Å; E49-G52 WeakPolarHBondContact O-CA 3.49Å; E49-G52 PolarHBondContact O-N 3.22Å; E50-G52 PolarHBondContact O-N 2.73Å; E50-G52 VanDerWaalsContact O-N 3.13Å; G52-T54 VanDerWaalsContact C-N 3.3Å; G52-T54 PolarHBondContact O-N 3.25Å
53V95.6Very high94.7Very high0 Ų053 Ų530%028%0.28CS..  trans-91.765.5164.4-169.10000107.3Y26 L48 L51 R55 H58 Q59Y26-V53 HydrophobicContact CD1-CG2 3.84Å; Y26-V53 HydrophobicContact CD2-CG1 4.15Å; Y26-V53 HydrophobicContact CD2-CG2 4.11Å; Y26-V53 HydrophobicContact CE1-CB 4.43Å; Y26-V53 HydrophobicContact CE1-CG1 4.46Å; Y26-V53 HydrophobicContact CE1-CG2 4.23Å; Y26-V53 HydrophobicContact CE2-CG1 3.87Å; Y26-V53 HydrophobicContact CE2-CG2 4.49Å; Y26-V53 HydrophobicContact CG-CG2 3.78Å; L48-V53 HydrophobicContact CB-CB 4.23Å; L48-V53 HydrophobicContact CD2-CB 4.45Å; L48-V53 HydrophobicContact CD2-CG2 4.17Å; L48-V53 WeakPolarHBondContact O-CA 3.3Å; L48-V53 VanDerWaalsContact O-CB 3.28Å; L48-V53 WeakPolarHBondContact O-CB 3.15Å; L48-V53 PolarHBondContact O-N 2.86Å; L51-V53 HydrophobicContact CB-CG2 4.39Å; L51-V53 PolarHBondContact O-N 2.74Å; V53-R55 PolarHBondContact O-N 2.86Å; V53-H58 HydrophobicContact CG1-CB 3.8Å; V53-Q59 HydrophobicContact CG1-CG 4.21Å; V53-Q59 WeakPolarHBondContact O-CG 3.33Å; V53-Q59 PolarHBondContact O-NE2 3.13Å
54T93.9Very high94.5Very high99 Ų9954 Ų5461%0.60728%0.284SS*.  trans-80.17.8-171.756.40000114.9G52G52-T54 VanDerWaalsContact C-N 3.3Å; G52-T54 PolarHBondContact O-N 3.25Å
55R95.4Very high94.5Very high145 Ų14552 Ų5255%0.54727%0.271SS..  trans-100.9114.6175.7-71.7179.1179.4-172.33.4108.3V53 G57 H58 Q59V53-R55 PolarHBondContact O-N 2.86Å; R55-G57 VanDerWaalsContact C-N 3.3Å; R55-G57 PolarHBondContact O-N 3.07Å; R55-H58 HydrophobicContact CB-CB 4.01Å; R55-H58 VanDerWaalsContact CD-CE1 3.41Å; R55-H58 WeakPolarHBondContact CD-CE1 3.39Å; R55-H58 PolarHBondContact NH1-CE1 3.12Å; R55-H58 VanDerWaalsContact NH1-CE1 3.29Å; R55-H58 PolarHBondContact NH1-NE2 3.02Å; R55-H58 WeakPolarHBondContact O-CA 3.48Å; R55-H58 WeakPolarHBondContact O-CB 3.39Å; R55-H58 PolarHBondContact O-N 2.68Å; R55-Q59 PolarHBondContact O-N 2.95Å
56I93.9Very high94.6Very high96 Ų9649.5 Ų49.549%0.49226%0.26SS..Hα-helixtrans-48.6-50.8179.1-57.9172.2000111.4H58 Q59 E60I56-H58 PolarHBondContact O-N 3.26Å; I56-Q59 WeakPolarHBondContact O-CA 3.45Å; I56-Q59 WeakPolarHBondContact O-CB 3.23Å; I56-Q59 PolarHBondContact O-N 3.13Å; I56-E60 HydrophobicContact CG2-CG 4.05Å; I56-E60 VanDerWaalsContact O-CG 3.25Å; I56-E60 WeakPolarHBondContact O-CG 3.03Å; I56-E60 PolarHBondContact O-N 2.81Å
57G94.5Very high94.4Very high49 Ų4949 Ų4951%0.50526%0.261SS..Hα-helixtrans-62.8-16.817800000115.7R55 L61R55-G57 VanDerWaalsContact C-N 3.3Å; R55-G57 PolarHBondContact O-N 3.07Å; G57-L61 WeakPolarHBondContact O-CD1 3.4Å; G57-L61 WeakPolarHBondContact O-CG 3.26Å
58H95.7Very high94.2Very high21 Ų2146.9 Ų46.910%0.09725%0.249CC..Hα-helixtrans-89.3-33.7170.1-65.5-166.7000111.5L23 Y26 V53 R55 I56 V62L23-H58 HydrophobicContact CD2-CB 3.83Å; L23-H58 WeakPolarHBondContact CD2-O 3.4Å; Y26-H58 HydrophobicContact CE2-CB 4.13Å; Y26-H58 AromaticContact CE2-ND1 3.33Å; Y26-H58 VanDerWaalsContact CE2-ND1 3.33Å; Y26-H58 WeakPolarHBondContact CE2-ND1 3.34Å; Y26-H58 AromaticContact CZ-ND1 3.55Å; Y26-H58 PolarHBondContact OH-ND1 2.88Å; V53-H58 HydrophobicContact CG1-CB 3.8Å; R55-H58 HydrophobicContact CB-CB 4.01Å; R55-H58 VanDerWaalsContact CD-CE1 3.41Å; R55-H58 WeakPolarHBondContact CD-CE1 3.39Å; R55-H58 PolarHBondContact NH1-CE1 3.12Å; R55-H58 VanDerWaalsContact NH1-CE1 3.29Å; R55-H58 PolarHBondContact NH1-NE2 3.02Å; R55-H58 WeakPolarHBondContact O-CA 3.48Å; R55-H58 WeakPolarHBondContact O-CB 3.39Å; R55-H58 PolarHBondContact O-N 2.68Å; I56-H58 PolarHBondContact O-N 3.26Å; H58-V62 PolarHBondContact O-N 3Å
59Q96Very high94Very high4 Ų446.9 Ų46.92%0.01925%0.249CC..Hα-helixtrans-60.8-51.3171.8-61163.5-7.800110.1H45 L48 E49 V53 R55 I56 L61 V62 L63H45-Q59 PolarHBondContact CD2-OE1 2.85Å; L48-Q59 HydrophobicContact CB-CG 4.12Å; L48-Q59 HydrophobicContact CD1-CB 4.1Å; L48-Q59 HydrophobicContact CD1-CG 4.47Å; E49-Q59 PolarHBondContact OE1-NE2 2.83Å; V53-Q59 HydrophobicContact CG1-CG 4.21Å; V53-Q59 WeakPolarHBondContact O-CG 3.33Å; V53-Q59 PolarHBondContact O-NE2 3.13Å; R55-Q59 PolarHBondContact O-N 2.95Å; I56-Q59 WeakPolarHBondContact O-CA 3.45Å; I56-Q59 WeakPolarHBondContact O-CB 3.23Å; I56-Q59 PolarHBondContact O-N 3.13Å; Q59-L61 VanDerWaalsContact C-N 3.27Å; Q59-L61 PolarHBondContact O-N 3.42Å; Q59-V62 PolarHBondContact O-N 3.13Å; Q59-L63 WeakPolarHBondContact O-CG 3.26Å; Q59-L63 PolarHBondContact O-N 2.9Å
60E93.4Very high93.8Very high34 Ų3443.9 Ų43.916%0.15924%0.237CC..Hα-helixtrans-56.6-38.9-179.9-61.6-83.4102.400111.8H45 I56 L63 E64 S545H45-E60 IonicContact CE1-OE1 2.79Å; H45-E60 IonicContact NE2-OE1 3.21Å; H45-E60 PolarHBondContact NE2-OE1 3.43Å; I56-E60 HydrophobicContact CG2-CG 4.05Å; I56-E60 VanDerWaalsContact O-CG 3.25Å; I56-E60 WeakPolarHBondContact O-CG 3.03Å; I56-E60 PolarHBondContact O-N 2.81Å; E60-L63 PolarHBondContact O-N 2.84Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 PolarHBondContact O-N 2.89Å; E60-S545 WeakPolarHBondContact OE2-CB 3.44Å; E60-S545 PolarHBondContact OE2-OG 3.36Å
61L94.2Very high93.3Very high63 Ų6339.8 Ų39.833%0.3323%0.229SC..Hα-helixtrans-68.8-30.7176.3-74.8171.6000113.6D20 L23 G57 Q59 A65D20-L61 HydrophobicContact CB-CD1 4.38Å; L23-L61 HydrophobicContact CD1-CB 4.07Å; G57-L61 WeakPolarHBondContact O-CD1 3.4Å; G57-L61 WeakPolarHBondContact O-CG 3.26Å; Q59-L61 VanDerWaalsContact C-N 3.27Å; Q59-L61 PolarHBondContact O-N 3.42Å; L61-A65 PolarHBondContact O-N 2.91Å
62V95.6Very high92.9Very high2 Ų239.6 Ų39.61%0.01223%0.227CC..Hα-helixtrans-75.5-47173.6176.30000110L23 F30 L48 H58 Q59 A65 V66L23-V62 HydrophobicContact CD1-CG2 3.76Å; L23-V62 HydrophobicContact CD2-CG2 3.86Å; L23-V62 HydrophobicContact CG-CG2 4.4Å; F30-V62 HydrophobicContact CZ-CG1 4.42Å; L48-V62 HydrophobicContact CD1-CB 4.33Å; L48-V62 HydrophobicContact CD1-CG1 4.39Å; L48-V62 HydrophobicContact CD2-CB 4.3Å; L48-V62 HydrophobicContact CD2-CG1 3.97Å; H58-V62 PolarHBondContact O-N 3Å; Q59-V62 PolarHBondContact O-N 3.13Å; V62-A65 WeakPolarHBondContact O-CB 3.43Å; V62-A65 PolarHBondContact O-N 3.26Å; V62-A65 VanDerWaalsContact O-N 3.13Å; V62-V66 HydrophobicContact CG1-CG2 4.35Å; V62-V66 WeakPolarHBondContact O-CG2 3.25Å; V62-V66 PolarHBondContact O-N 3.5Å
63L94.9Very high92.5Very high25 Ų2540 Ų4013%0.13122%0.224CC..Hα-helixtrans-63.9-41.9-178.7-65.9170.8000111.8I43 H45 L48 Q59 E60 A65 V66 D67I43-L63 HydrophobicContact CG2-CD2 4.05Å; I43-L63 VanDerWaalsContact O-CD2 3.23Å; I43-L63 WeakPolarHBondContact O-CD2 3.49Å; H45-L63 WeakPolarHBondContact CE1-CD1 3.37Å; H45-L63 VanDerWaalsContact NE2-CD1 3.34Å; H45-L63 WeakPolarHBondContact NE2-CD1 3.36Å; L48-L63 HydrophobicContact CD1-CD1 4.07Å; L48-L63 HydrophobicContact CD1-CD2 3.76Å; L48-L63 HydrophobicContact CD1-CG 3.66Å; Q59-L63 WeakPolarHBondContact O-CG 3.26Å; Q59-L63 PolarHBondContact O-N 2.9Å; E60-L63 PolarHBondContact O-N 2.84Å; L63-A65 VanDerWaalsContact C-N 3.28Å; L63-A65 PolarHBondContact O-N 3.37Å; L63-V66 CarbonylContact O-C 3.58Å; L63-V66 PolarHBondContact O-N 3.05Å; L63-V66 VanDerWaalsContact O-N 3.1Å; L63-D67 PolarHBondContact O-N 2.65Å
64E92.4Very high91.8Very high40 Ų4046 Ų4619%0.18725%0.248CC..Hα-helixtrans-60.5-36.5173.1179.7167.6-163.500112.1E60 L68 R549E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 PolarHBondContact O-N 2.89Å; E64-L68 WeakPolarHBondContact O-CG 3.27Å; E64-L68 PolarHBondContact O-N 3.31Å; E64-R549 IonicContact OE1-CZ 2.73Å; E64-R549 IonicContact OE1-NH1 3.72Å; E64-R549 PolarHBondContact OE1-NH1 3.15Å; E64-R549 IonicContact OE1-NH2 3.85Å; E64-R549 IonicContact OE2-CZ 2.68Å; E64-R549 IonicContact OE2-NH1 4Å; E64-R549 PolarHBondContact OE2-NH1 3.05Å; E64-R549 IonicContact OE2-NH2 3.26Å; E64-R549 PolarHBondContact OE2-NH2 3.07Å
65A94.3Very high90.6Very high5 Ų541.6 Ų41.64%0.04122%0.222CC..Hα-helixtrans-73.3-32.6174.300000112.8W15 L19 L61 V62 L63 L69W15-A65 HydrophobicContact CH2-CB 3.78Å; W15-A65 HydrophobicContact CZ2-CB 3.67Å; L19-A65 HydrophobicContact CD1-CB 4.3Å; L19-A65 HydrophobicContact CD2-CB 3.73Å; L61-A65 PolarHBondContact O-N 2.91Å; V62-A65 WeakPolarHBondContact O-CB 3.43Å; V62-A65 PolarHBondContact O-N 3.26Å; V62-A65 VanDerWaalsContact O-N 3.13Å; L63-A65 VanDerWaalsContact C-N 3.28Å; L63-A65 PolarHBondContact O-N 3.37Å; A65-L69 PolarHBondContact O-N 3.35Å
66V95.2Very high89.1Confident6 Ų636.1 Ų36.14%0.03620%0.204CC..Hα-helixtrans-71.2-40.6174.3169.30000111.6W15 L40 I43 V62 L63 L68 L69 C70W15-V66 HydrophobicContact CH2-CG2 3.98Å; L40-V66 HydrophobicContact CD1-CG2 3.81Å; L40-V66 HydrophobicContact CG-CG2 4.1Å; L40-V66 VanDerWaalsContact O-CG1 3.28Å; L40-V66 WeakPolarHBondContact O-CG1 3.11Å; I43-V66 HydrophobicContact CG2-CG1 4.36Å; I43-V66 HydrophobicContact CG2-CG2 4.04Å; V62-V66 HydrophobicContact CG1-CG2 4.35Å; V62-V66 WeakPolarHBondContact O-CG2 3.25Å; V62-V66 PolarHBondContact O-N 3.5Å; L63-V66 CarbonylContact O-C 3.58Å; L63-V66 PolarHBondContact O-N 3.05Å; L63-V66 VanDerWaalsContact O-N 3.1Å; V66-L68 PolarHBondContact O-N 2.91Å; V66-L69 CarbonylContact O-C 3.47Å; V66-L69 WeakPolarHBondContact O-CA 3.47Å; V66-L69 WeakPolarHBondContact O-CB 3.49Å; V66-L69 PolarHBondContact O-N 2.91Å; V66-C70 PolarHBondContact O-N 3.22Å; V66-C70 PolarHBondContact O-SG 3.43Å
67D90.8Very high87.3Confident102 Ų10240.1 Ų40.155%0.54522%0.22SC..Hα-helixtrans-54.4-38.9174.4-88.5-19000111.5L63 C70 A71L63-D67 PolarHBondContact O-N 2.65Å; D67-C70 PolarHBondContact O-N 3.38Å; D67-A71 WeakPolarHBondContact O-CB 3.35Å; D67-A71 PolarHBondContact O-N 2.72Å
68L90.8Very high85.7Confident25 Ų2540.4 Ų40.413%0.13121%0.213CC..Hα-helixtrans-70.5-33.5175.7-60169000112.5E64 V66 L72 D232 L234 V267E64-L68 WeakPolarHBondContact O-CG 3.27Å; E64-L68 PolarHBondContact O-N 3.31Å; V66-L68 PolarHBondContact O-N 2.91Å; L68-L72 WeakPolarHBondContact O-CB 3.22Å; L68-L72 PolarHBondContact O-N 2.87Å; L68-D232 VanDerWaalsContact CD1-O 3.27Å; L68-D232 WeakPolarHBondContact CD1-O 3.34Å; L68-D232 WeakPolarHBondContact CD2-O 3.3Å; L68-L234 HydrophobicContact CD2-CD2 3.93Å; L68-L234 HydrophobicContact CD2-CG 4.04Å; L68-V267 HydrophobicContact CB-CG1 3.5Å; L68-V267 VanDerWaalsContact CB-CG1 3.5Å
69L92Very high84.3Confident0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-69.6-38.3170.3-69.7-174.2000112.1V4 W7 W15 L40 L41 A65 V66 L72 N73 T265 V267V4-L69 HydrophobicContact CG1-CB 4.49Å; V4-L69 HydrophobicContact CG1-CD1 4.17Å; V4-L69 HydrophobicContact CG2-CB 4.47Å; V4-L69 HydrophobicContact CG2-CD2 4.43Å; W7-L69 HydrophobicContact CH2-CD1 4.01Å; W7-L69 HydrophobicContact CH2-CD2 3.77Å; W7-L69 HydrophobicContact CZ3-CD1 3.9Å; W7-L69 HydrophobicContact CZ3-CD2 4.48Å; W15-L69 HydrophobicContact CD2-CD1 4.01Å; W15-L69 HydrophobicContact CE3-CD1 4.41Å; W15-L69 HydrophobicContact CH2-CD1 3.96Å; W15-L69 HydrophobicContact CZ2-CD1 3.49Å; W15-L69 VanDerWaalsContact CZ2-CD1 3.49Å; W15-L69 HydrophobicContact CZ2-CG 3.86Å; W15-L69 HydrophobicContact CZ3-CD1 4.4Å; L40-L69 HydrophobicContact CD2-CD1 3.79Å; L41-L69 HydrophobicContact CD2-CB 4.2Å; A65-L69 PolarHBondContact O-N 3.35Å; V66-L69 CarbonylContact O-C 3.47Å; V66-L69 WeakPolarHBondContact O-CA 3.47Å; V66-L69 WeakPolarHBondContact O-CB 3.49Å; V66-L69 PolarHBondContact O-N 2.91Å; L69-L72 WeakPolarHBondContact O-CB 3.3Å; L69-L72 PolarHBondContact O-N 3.24Å; L69-N73 WeakPolarHBondContact O-CB 3.3Å; L69-N73 PolarHBondContact O-N 2.78Å; L69-T265 HydrophobicContact CD2-CG2 4.04Å; L69-V267 HydrophobicContact CD2-CB 4.15Å; L69-V267 HydrophobicContact CD2-CG1 4.37Å
70C90.3Very high83.2Confident27 Ų2742 Ų4218%0.18222%0.222CC..Hα-helixtrans-62.6-48.9173.1-71.10000110.9L41 V66 D67 L72 N73 Y74L41-C70 HydrophobicContact CD2-CB 4.47Å; L41-C70 WeakPolarHBondContact CD2-SG 3.49Å; V66-C70 PolarHBondContact O-N 3.22Å; V66-C70 PolarHBondContact O-SG 3.43Å; D67-C70 PolarHBondContact O-N 3.38Å; C70-L72 VanDerWaalsContact C-N 3.26Å; C70-L72 PolarHBondContact O-N 3.27Å; C70-N73 PolarHBondContact O-N 2.95Å; C70-Y74 HydrophobicContact CB-CD2 4.28Å; C70-Y74 HydrophobicContact CB-CE2 4.46Å; C70-Y74 VanDerWaalsContact O-CD2 3.25Å; C70-Y74 WeakPolarHBondContact O-CD2 3.46Å; C70-Y74 PolarHBondContact O-N 3.07Å
71A84.4Confident82.4Confident59 Ų5940.4 Ų40.449%0.48821%0.214SC..Hα-helixtrans-60.5-34.9175.900000112.4D67 G75D67-A71 WeakPolarHBondContact O-CB 3.35Å; D67-A71 PolarHBondContact O-N 2.72Å; A71-G75 VanDerWaalsContact O-CA 3.23Å; A71-G75 WeakPolarHBondContact O-CA 3.4Å; A71-G75 PolarHBondContact O-N 3.06Å
72L85.4Confident81.7Confident7 Ų742.8 Ų42.84%0.03722%0.222CC..Hα-helixtrans-67.9-52.9171.5-178.469.3000111.7M1 L68 L69 C70 Y74 L76 I259 T265 V267M1-L72 HydrophobicContact CE-CD2 3.76Å; M1-L72 HydrophobicContact CE-CG 4.09Å; L68-L72 WeakPolarHBondContact O-CB 3.22Å; L68-L72 PolarHBondContact O-N 2.87Å; L69-L72 WeakPolarHBondContact O-CB 3.3Å; L69-L72 PolarHBondContact O-N 3.24Å; C70-L72 VanDerWaalsContact C-N 3.26Å; C70-L72 PolarHBondContact O-N 3.27Å; L72-Y74 PolarHBondContact O-N 3.07Å; L72-L76 HydrophobicContact CD1-CD1 3.77Å; L72-L76 HydrophobicContact CD1-CD2 4.44Å; L72-L76 HydrophobicContact CD1-CG 4.15Å; L72-L76 HydrophobicContact CG-CD1 4.25Å; L72-L76 WeakPolarHBondContact O-CD1 3.42Å; L72-L76 VanDerWaalsContact O-CG 3.24Å; L72-L76 WeakPolarHBondContact O-CG 3.35Å; L72-I259 HydrophobicContact CD1-CD1 3.95Å; L72-I259 HydrophobicContact CD1-CG1 4.22Å; L72-I259 HydrophobicContact CD1-CG2 3.67Å; L72-I259 HydrophobicContact CD2-CG2 3.64Å; L72-I259 HydrophobicContact CG-CG2 4.29Å; L72-T265 HydrophobicContact CD2-CG2 4.26Å; L72-V267 HydrophobicContact CD2-CG2 4.07Å
73N84.9Confident81.1Confident30 Ų3045.4 Ų45.416%0.1624%0.236CC..Hα-helixtrans-67.5-35.9-170.7-171.679000113.3P3 V4 L69 C70P3-N73 WeakPolarHBondContact CB-OD1 3.37Å; V4-N73 HydrophobicContact CB-CB 4.21Å; V4-N73 HydrophobicContact CG2-CB 3.97Å; V4-N73 PolarHBondContact N-OD1 3.3Å; L69-N73 WeakPolarHBondContact O-CB 3.3Å; L69-N73 PolarHBondContact O-N 2.78Å; C70-N73 PolarHBondContact O-N 2.95Å
74Y79.1Confident80.7Confident127 Ų12744.4 Ų44.450%0.49823%0.231SC..Hα-helixtrans-107.5-18.2-176.6-55-68.8000113.8C70 L72 T78C70-Y74 HydrophobicContact CB-CD2 4.28Å; C70-Y74 HydrophobicContact CB-CE2 4.46Å; C70-Y74 VanDerWaalsContact O-CD2 3.25Å; C70-Y74 WeakPolarHBondContact O-CD2 3.46Å; C70-Y74 PolarHBondContact O-N 3.07Å; L72-Y74 PolarHBondContact O-N 3.07Å; Y74-T78 PolarHBondContact O-OG1 3.3Å
75G69.6Low80.5Confident7 Ų742.5 Ų42.57%0.07222%0.222CC..Hα-helixtrans-84.5-32.8-177.800000114.8A71 E77 T78 D79A71-G75 VanDerWaalsContact O-CA 3.23Å; A71-G75 WeakPolarHBondContact O-CA 3.4Å; A71-G75 PolarHBondContact O-N 3.06Å; G75-E77 PolarHBondContact O-N 3.42Å; G75-T78 PolarHBondContact O-N 3.13Å; G75-D79 WeakPolarHBondContact CA-OD2 3.44Å; G75-D79 WeakPolarHBondContact O-CB 3.48Å; G75-D79 PolarHBondContact O-N 3.43Å
76L64.2Low80.2Confident30 Ų3046.1 Ų46.116%0.15724%0.24CC..THydrogen-bonded Turntrans-54.5-45.4-171-80.9169000114.5L72 L209 K290L72-L76 HydrophobicContact CD1-CD1 3.77Å; L72-L76 HydrophobicContact CD1-CD2 4.44Å; L72-L76 HydrophobicContact CD1-CG 4.15Å; L72-L76 HydrophobicContact CG-CD1 4.25Å; L72-L76 WeakPolarHBondContact O-CD1 3.42Å; L72-L76 VanDerWaalsContact O-CG 3.24Å; L72-L76 WeakPolarHBondContact O-CG 3.35Å; L76-L209 HydrophobicContact CD1-CD1 3.79Å; L76-L209 HydrophobicContact CD1-CD2 4.25Å; L76-L209 HydrophobicContact CD1-CG 4.15Å; L76-L209 HydrophobicContact CD2-CD2 3.62Å; L76-L209 HydrophobicContact CD2-CG 3.96Å; L76-K290 HydrophobicContact CD2-CD 4.02Å; L76-K290 HydrophobicContact CD2-CG 4.27Å
77E55.9Low80Confident179 Ų17950.2 Ų50.284%0.83626%0.257SS*.THydrogen-bonded Turntrans-82.5-22.3179.4-62.2-175.3169.500112.7G75G75-E77 PolarHBondContact O-N 3.42Å
78T59.9Low80.1Confident56 Ų5645.4 Ų45.434%0.34423%0.232SC..THydrogen-bonded Turntrans-105.4-20.5-168.274.80000115.4Y74 G75 N80 N83 K87Y74-T78 PolarHBondContact O-OG1 3.3Å; G75-T78 PolarHBondContact O-N 3.13Å; T78-N80 PolarHBondContact O-N 3.2Å; T78-N83 WeakPolarHBondContact O-CB 3.45Å; T78-N83 PolarHBondContact O-ND2 2.95Å; T78-K87 PolarHBondContact OG1-NZ 2.96Å; T78-K87 VanDerWaalsContact OG1-NZ 3.13Å
79D66Low80.1Confident40 Ų4047.2 Ų47.221%0.21424%0.237CC..  trans-94.976.2-170.6-70.1-24.5000114.4G75 L84 K87 W137G75-D79 WeakPolarHBondContact CA-OD2 3.44Å; G75-D79 WeakPolarHBondContact O-CB 3.48Å; G75-D79 PolarHBondContact O-N 3.43Å; D79-L84 HydrophobicContact CB-CD1 4.43Å; D79-L84 HydrophobicContact CB-CD2 4.31Å; D79-L84 HydrophobicContact CB-CG 4.39Å; D79-L84 VanDerWaalsContact OD1-CD2 3.32Å; D79-L84 WeakPolarHBondContact OD1-CD2 3.45Å; D79-K87 IonicContact OD1-NZ 2.74Å; D79-K87 PolarHBondContact OD1-NZ 2.99Å; D79-W137 PolarHBondContact O-NE1 3.33Å
80N73.1Confident80.2Confident17 Ų1749.5 Ų49.59%0.09126%0.256CS..SBendtrans-98.8163.6154.260.863.8000110.9T78 K82 N83 L84 C206T78-N80 PolarHBondContact O-N 3.2Å; N80-K82 VanDerWaalsContact C-N 3.3Å; N80-K82 PolarHBondContact O-N 3.12Å; N80-K82 WeakPolarHBondContact OD1-CB 3.36Å; N80-K82 PolarHBondContact OD1-N 3.11Å; N80-N83 PolarHBondContact ND2-ND2 3.01Å; N80-N83 VanDerWaalsContact ND2-ND2 3.19Å; N80-N83 PolarHBondContact O-N 2.7Å; N80-N83 VanDerWaalsContact O-N 3.16Å; N80-N83 WeakPolarHBondContact OD1-CB 3.45Å; N80-N83 PolarHBondContact OD1-N 2.85Å; N80-L84 WeakPolarHBondContact O-CG 3.42Å; N80-L84 PolarHBondContact O-N 2.78Å; N80-C206 PolarHBondContact ND2-SG 3.48Å; N80-C206 VanDerWaalsContact ND2-SG 3.43Å
81M77.9Confident80.4Confident2 Ų248.7 Ų48.71%0.0125%0.251CS..Hα-helixtrans-52.3-45.8-178.7171.353.156.100112.6N83 L84 V85 L134 W137 L138 T194 M203M81-N83 PolarHBondContact O-N 2.93Å; M81-L84 PolarHBondContact O-N 2.81Å; M81-V85 WeakPolarHBondContact O-CG2 3.44Å; M81-V85 PolarHBondContact O-N 2.89Å; M81-V85 HydrophobicContact SD-CG2 3.55Å; M81-V85 VanDerWaalsContact SD-CG2 3.55Å; M81-L134 HydrophobicContact CE-CD1 3.56Å; M81-L134 HydrophobicContact SD-CD1 3.46Å; M81-L134 WeakPolarHBondContact SD-CD1 3.14Å; M81-W137 HydrophobicContact CB-CD2 4.45Å; M81-W137 HydrophobicContact CB-CE3 4.29Å; M81-W137 HydrophobicContact CB-CH2 3.75Å; M81-W137 HydrophobicContact CB-CZ2 3.92Å; M81-W137 HydrophobicContact CB-CZ3 3.93Å; M81-W137 HydrophobicContact CE-CD2 3.9Å; M81-W137 HydrophobicContact CE-CE3 3.18Å; M81-W137 HydrophobicContact CE-CH2 4.4Å; M81-W137 HydrophobicContact CE-CZ3 3.47Å; M81-W137 VanDerWaalsContact CE-CZ3 3.47Å; M81-W137 HydrophobicContact CG-CZ3 4.47Å; M81-L138 HydrophobicContact CE-CD2 3.58Å; M81-L138 HydrophobicContact CE-CG 3.98Å; M81-T194 HydrophobicContact CG-CG2 4.16Å; M81-T194 HydrophobicContact SD-CG2 3.44Å; M81-T194 WeakPolarHBondContact SD-CG2 3.2Å; M81-M203 HydrophobicContact CB-CB 4.32Å; M81-M203 WeakPolarHBondContact CB-O 3.42Å; M81-M203 HydrophobicContact CG-CB 4.44Å
82K79.8Confident80.9Confident113 Ų11345.9 Ų45.949%0.49123%0.227SC..Hα-helixtrans-59.3-47.1179.8-176.3179.9178.6-179.20111.7N80 V85 L86 T198N80-K82 VanDerWaalsContact C-N 3.3Å; N80-K82 PolarHBondContact O-N 3.12Å; N80-K82 WeakPolarHBondContact OD1-CB 3.36Å; N80-K82 PolarHBondContact OD1-N 3.11Å; K82-V85 PolarHBondContact O-N 3.01Å; K82-L86 HydrophobicContact CG-CD1 4.18Å; K82-L86 WeakPolarHBondContact O-CB 3.4Å; K82-L86 VanDerWaalsContact O-CG 3.24Å; K82-L86 WeakPolarHBondContact O-CG 3.4Å; K82-L86 PolarHBondContact O-N 3.48Å; K82-T198 HydrophobicContact CB-CG2 4.1Å
83N82.9Confident81.3Confident56 Ų5648.9 Ų48.930%0.29924%0.241SC..Hα-helixtrans-67-39.9178.6-73.8-4.6000112.3T78 N80 M81 L86 K87T78-N83 WeakPolarHBondContact O-CB 3.45Å; T78-N83 PolarHBondContact O-ND2 2.95Å; N80-N83 PolarHBondContact ND2-ND2 3.01Å; N80-N83 VanDerWaalsContact ND2-ND2 3.19Å; N80-N83 PolarHBondContact O-N 2.7Å; N80-N83 VanDerWaalsContact O-N 3.16Å; N80-N83 WeakPolarHBondContact OD1-CB 3.45Å; N80-N83 PolarHBondContact OD1-N 2.85Å; M81-N83 PolarHBondContact O-N 2.93Å; N83-L86 PolarHBondContact O-N 2.87Å; N83-K87 WeakPolarHBondContact O-CG 3.47Å; N83-K87 PolarHBondContact O-N 2.94Å
84L85.9Confident81.7Confident4 Ų451.8 Ų51.82%0.02126%0.256CS..Hα-helixtrans-63.7-42.8176.3-71172000112.2D79 N80 M81 L86 K87 L88 A133 L134 W137D79-L84 HydrophobicContact CB-CD1 4.43Å; D79-L84 HydrophobicContact CB-CD2 4.31Å; D79-L84 HydrophobicContact CB-CG 4.39Å; D79-L84 VanDerWaalsContact OD1-CD2 3.32Å; D79-L84 WeakPolarHBondContact OD1-CD2 3.45Å; N80-L84 WeakPolarHBondContact O-CG 3.42Å; N80-L84 PolarHBondContact O-N 2.78Å; M81-L84 PolarHBondContact O-N 2.81Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-K87 HydrophobicContact CD2-CD 4.43Å; L84-K87 PolarHBondContact O-N 3.35Å; L84-L88 WeakPolarHBondContact O-CB 3.5Å; L84-L88 PolarHBondContact O-N 3.34Å; L84-A133 HydrophobicContact CD2-CB 3.79Å; L84-L134 HydrophobicContact CB-CD1 4.25Å; L84-W137 HydrophobicContact CD1-CB 3.51Å; L84-W137 VanDerWaalsContact CD1-CD1 3.42Å; L84-W137 HydrophobicContact CD1-CG 3.61Å
85V88.6Confident82.5Confident0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-68.7-33.4175.8-179.50000111.6M81 K82 R89 L134 C191 T194 I195M81-V85 WeakPolarHBondContact O-CG2 3.44Å; M81-V85 PolarHBondContact O-N 2.89Å; M81-V85 HydrophobicContact SD-CG2 3.55Å; M81-V85 VanDerWaalsContact SD-CG2 3.55Å; K82-V85 PolarHBondContact O-N 3.01Å; V85-R89 WeakPolarHBondContact O-CB 3.24Å; V85-R89 PolarHBondContact O-N 2.83Å; V85-L134 HydrophobicContact CG2-CD1 3.7Å; V85-L134 HydrophobicContact CG2-CD2 4.06Å; V85-C191 HydrophobicContact CG1-CB 3.55Å; V85-T194 HydrophobicContact CG2-CG2 3.77Å; V85-I195 HydrophobicContact CB-CG1 4.42Å; V85-I195 HydrophobicContact CG1-CD1 3.89Å; V85-I195 HydrophobicContact CG1-CG1 3.72Å
86L88.3Confident83.6Confident82 Ų8247.1 Ų47.143%0.42924%0.237SC..Hα-helixtrans-67.6-42.8172.1-72.7169.6000112.3K82 N83 L84 L88 R89 A90K82-L86 HydrophobicContact CG-CD1 4.18Å; K82-L86 WeakPolarHBondContact O-CB 3.4Å; K82-L86 VanDerWaalsContact O-CG 3.24Å; K82-L86 WeakPolarHBondContact O-CG 3.4Å; K82-L86 PolarHBondContact O-N 3.48Å; N83-L86 PolarHBondContact O-N 2.87Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 2.91Å; L86-R89 PolarHBondContact O-N 3.11Å; L86-A90 WeakPolarHBondContact O-CB 3.48Å; L86-A90 PolarHBondContact O-N 2.7Å
87K89.8Confident85Confident91 Ų9150.2 Ų50.240%0.39625%0.254SS..Hα-helixtrans-56.4-48.3171.9-72.2171.9-175.1179.80110.5T78 D79 N83 L84 R89 A90 S91T78-K87 PolarHBondContact OG1-NZ 2.96Å; T78-K87 VanDerWaalsContact OG1-NZ 3.13Å; D79-K87 IonicContact OD1-NZ 2.74Å; D79-K87 PolarHBondContact OD1-NZ 2.99Å; N83-K87 WeakPolarHBondContact O-CG 3.47Å; N83-K87 PolarHBondContact O-N 2.94Å; L84-K87 HydrophobicContact CD2-CD 4.43Å; L84-K87 PolarHBondContact O-N 3.35Å; K87-R89 PolarHBondContact O-N 3.35Å; K87-A90 PolarHBondContact O-N 3.35Å; K87-S91 PolarHBondContact O-N 2.91Å; K87-S91 VanDerWaalsContact O-N 3.08Å
88L92.3Very high86.8Confident1 Ų144.7 Ų44.71%0.00523%0.226CC..Hα-helixtrans-61.9-41.6177.3178.858.7000112.9L84 L86 S92 L127 A130 A131 L134L84-L88 WeakPolarHBondContact O-CB 3.5Å; L84-L88 PolarHBondContact O-N 3.34Å; L86-L88 PolarHBondContact O-N 2.91Å; L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.45Å; L88-S92 PolarHBondContact O-N 3.03Å; L88-S92 PolarHBondContact O-OG 3.28Å; L88-L127 HydrophobicContact CD1-CD1 3.63Å; L88-A130 HydrophobicContact CB-CB 4.18Å; L88-A130 HydrophobicContact CD1-CB 4.1Å; L88-A131 HydrophobicContact CD1-CB 4Å; L88-L134 HydrophobicContact CD2-CD2 3.48Å; L88-L134 VanDerWaalsContact CD2-CD2 3.48Å
89R92.6Very high88.4Confident63 Ų6342 Ų4224%0.23821%0.21CC..Hα-helixtrans-66.9-39.4176.3-163-164.9-167.9112.419.3112.3V85 L86 K87 S92 H93 D192V85-R89 WeakPolarHBondContact O-CB 3.24Å; V85-R89 PolarHBondContact O-N 2.83Å; L86-R89 PolarHBondContact O-N 3.11Å; K87-R89 PolarHBondContact O-N 3.35Å; R89-S92 WeakPolarHBondContact O-CB 3.44Å; R89-S92 PolarHBondContact O-N 3.48Å; R89-H93 PolarHBondContact NE-NE2 2.71Å; R89-H93 PolarHBondContact O-CD2 3.26Å; R89-H93 VanDerWaalsContact O-CD2 3.23Å; R89-H93 PolarHBondContact O-N 3.12Å; R89-D192 IonicContact CZ-OD1 2.76Å; R89-D192 VanDerWaalsContact CZ-OD1 3.23Å; R89-D192 IonicContact CZ-OD2 3.03Å; R89-D192 IonicContact NH1-OD1 3.89Å; R89-D192 PolarHBondContact NH1-OD1 3.21Å; R89-D192 IonicContact NH1-OD2 2.71Å; R89-D192 VanDerWaalsContact NH2-CG 3.26Å; R89-D192 IonicContact NH2-OD1 2.99Å; R89-D192 PolarHBondContact NH2-OD1 3.37Å; R89-D192 IonicContact NH2-OD2 3.13Å; R89-D192 PolarHBondContact NH2-OD2 2.8Å
90A92.9Very high89.7Confident49 Ų4942.4 Ų42.441%0.40522%0.216SC..Hα-helixtrans-63.8-51.7178.200000111.1L86 K87 S92 H93 N94L86-A90 WeakPolarHBondContact O-CB 3.48Å; L86-A90 PolarHBondContact O-N 2.7Å; K87-A90 PolarHBondContact O-N 3.35Å; A90-S92 VanDerWaalsContact C-N 3.3Å; A90-S92 PolarHBondContact O-N 3Å; A90-H93 PolarHBondContact O-N 3.01Å; A90-H93 VanDerWaalsContact O-N 3.14Å; A90-N94 VanDerWaalsContact O-CG 3.29Å; A90-N94 PolarHBondContact O-N 3.44Å; A90-N94 PolarHBondContact O-OD1 2.92Å
91S94.5Very high90.6Very high10 Ų1045.3 Ų45.37%0.0724%0.237CC..Hα-helixtrans-59.4-40.7175.2-179.50000112K87 H93 N94 L95 L127K87-S91 PolarHBondContact O-N 2.91Å; K87-S91 VanDerWaalsContact O-N 3.08Å; S91-H93 PolarHBondContact O-N 3.29Å; S91-N94 PolarHBondContact O-N 3.26Å; S91-L95 PolarHBondContact O-N 3.11Å; S91-L127 VanDerWaalsContact OG-CA 3.25Å; S91-L127 WeakPolarHBondContact OG-CA 3.33Å; S91-L127 PolarHBondContact OG-N 3.29Å
92S95Very high91.1Very high0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-56.2-46.2173.3-66.80000112.7L88 R89 A90 Q96 L127 V184 N188L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.45Å; L88-S92 PolarHBondContact O-N 3.03Å; L88-S92 PolarHBondContact O-OG 3.28Å; R89-S92 WeakPolarHBondContact O-CB 3.44Å; R89-S92 PolarHBondContact O-N 3.48Å; A90-S92 VanDerWaalsContact C-N 3.3Å; A90-S92 PolarHBondContact O-N 3Å; S92-Q96 WeakPolarHBondContact O-CG 3.46Å; S92-Q96 PolarHBondContact O-N 3.01Å; S92-Q96 VanDerWaalsContact O-N 3.16Å; S92-L127 VanDerWaalsContact OG-CD1 3.28Å; S92-L127 WeakPolarHBondContact OG-CD1 3.43Å; S92-V184 VanDerWaalsContact CB-CG1 3.46Å; S92-V184 WeakPolarHBondContact O-CG1 3.47Å; S92-N188 VanDerWaalsContact CB-OD1 3.22Å; S92-N188 WeakPolarHBondContact CB-OD1 3.47Å
93H93.9Very high91.7Very high69 Ų6945.4 Ų45.432%0.31923%0.234SC..Hα-helixtrans-71.9-36.5176.9-74.9-56000112.9R89 A90 S91 Q96 N97R89-H93 PolarHBondContact NE-NE2 2.71Å; R89-H93 PolarHBondContact O-CD2 3.26Å; R89-H93 VanDerWaalsContact O-CD2 3.23Å; R89-H93 PolarHBondContact O-N 3.12Å; A90-H93 PolarHBondContact O-N 3.01Å; A90-H93 VanDerWaalsContact O-N 3.14Å; S91-H93 PolarHBondContact O-N 3.29Å; H93-Q96 PolarHBondContact O-N 2.88Å; H93-N97 VanDerWaalsContact O-CB 3.3Å; H93-N97 WeakPolarHBondContact O-CB 3.49Å; H93-N97 PolarHBondContact O-N 3.41Å; H93-N97 PolarHBondContact O-ND2 3.17Å
94N93.9Very high92.1Very high91 Ų9150.9 Ų50.949%0.48726%0.255SS..Hα-helixtrans-59.1-49.1175.8-71.2-4.4000111A90 S91 Q96 N97 Y98A90-N94 VanDerWaalsContact O-CG 3.29Å; A90-N94 PolarHBondContact O-N 3.44Å; A90-N94 PolarHBondContact O-OD1 2.92Å; S91-N94 PolarHBondContact O-N 3.26Å; N94-Q96 PolarHBondContact O-N 3.04Å; N94-N97 PolarHBondContact O-N 3.27Å; N94-Y98 VanDerWaalsContact O-CB 3.27Å; N94-Y98 WeakPolarHBondContact O-CB 3.3Å; N94-Y98 PolarHBondContact O-N 2.96Å
95L94.6Very high92.2Very high0 Ų053.1 Ų53.10%027%0.271CS..Hα-helixtrans-62-42176.517956.5000112.2S91 Y98 I99 F120 V124 L127 V180 V184S91-L95 PolarHBondContact O-N 3.11Å; L95-Y98 PolarHBondContact O-N 3.14Å; L95-I99 HydrophobicContact CD1-CD1 3.82Å; L95-I99 HydrophobicContact CD1-CG1 4.14Å; L95-I99 HydrophobicContact CG-CD1 3.99Å; L95-I99 WeakPolarHBondContact O-CD1 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.48Å; L95-I99 PolarHBondContact O-N 2.74Å; L95-F120 HydrophobicContact CD1-CD2 3.95Å; L95-F120 HydrophobicContact CD1-CE2 4.08Å; L95-V124 HydrophobicContact CD1-CG2 4.1Å; L95-V124 HydrophobicContact CD2-CG2 3.79Å; L95-L127 HydrophobicContact CD2-CD2 3.65Å; L95-V180 HydrophobicContact CD1-CG1 4.39Å; L95-V180 HydrophobicContact CD2-CG1 3.61Å; L95-V180 HydrophobicContact CG-CG1 4.11Å; L95-V184 HydrophobicContact CD2-CG2 3.96Å
96Q94.6Very high91.9Very high36 Ų3659.9 Ų59.917%0.16832%0.315CS..Hα-helixtrans-62.2-43.9174.1-76.3-178.4-1000112.7S92 H93 N94 S100 L181 V184S92-Q96 WeakPolarHBondContact O-CG 3.46Å; S92-Q96 PolarHBondContact O-N 3.01Å; S92-Q96 VanDerWaalsContact O-N 3.16Å; H93-Q96 PolarHBondContact O-N 2.88Å; N94-Q96 PolarHBondContact O-N 3.04Å; Q96-S100 WeakPolarHBondContact O-CB 3.33Å; Q96-S100 PolarHBondContact O-N 2.9Å; Q96-S100 PolarHBondContact O-OG 2.93Å; Q96-L181 HydrophobicContact CB-CD2 4.38Å; Q96-L181 HydrophobicContact CG-CD2 3.86Å; Q96-V184 HydrophobicContact CG-CB 4.33Å; Q96-V184 HydrophobicContact CG-CG1 3.9Å
97N93.4Very high91.8Very high96 Ų9659.8 Ų59.851%0.51333%0.326SS..Hα-helixtrans-66.5-42.1179.4-72.1-21.2000111H93 N94 S100 S101H93-N97 VanDerWaalsContact O-CB 3.3Å; H93-N97 WeakPolarHBondContact O-CB 3.49Å; H93-N97 PolarHBondContact O-N 3.41Å; H93-N97 PolarHBondContact O-ND2 3.17Å; N94-N97 PolarHBondContact O-N 3.27Å; N97-S100 PolarHBondContact O-N 3.23Å; N97-S101 VanDerWaalsContact O-CB 3.28Å; N97-S101 WeakPolarHBondContact O-CB 3.25Å; N97-S101 PolarHBondContact O-N 3.4Å; N97-S101 PolarHBondContact O-OG 3.04Å
98Y93Very high91.8Very high63 Ų6358 Ų5825%0.24732%0.317CS..Hα-helixtrans-60.6-52176.9173.6-87.1000111.4N94 L95 S100 S101 R102 E119 F120N94-Y98 VanDerWaalsContact O-CB 3.27Å; N94-Y98 WeakPolarHBondContact O-CB 3.3Å; N94-Y98 PolarHBondContact O-N 2.96Å; L95-Y98 PolarHBondContact O-N 3.14Å; Y98-S100 VanDerWaalsContact C-N 3.35Å; Y98-S100 PolarHBondContact O-N 2.69Å; Y98-S101 PolarHBondContact O-N 3.5Å; Y98-R102 PolarHBondContact O-N 3.18Å; Y98-R102 PolarHBondContact OH-NH1 3.45Å; Y98-E119 HydrophobicContact CE2-CB 3.66Å; Y98-E119 WeakPolarHBondContact OH-CB 3.43Å; Y98-F120 HydrophobicContact CD1-CD2 4.45Å; Y98-F120 HydrophobicContact CE1-CB 3.78Å; Y98-F120 HydrophobicContact CE1-CD2 4.22Å
99I93.4Very high91.5Very high0 Ų061.1 Ų61.10%033%0.334CS..Hα-helixtrans-58.6-47.3175.8-65.1164.3000110.6L95 S101 R102 R103 F120 E177 V180 L181L95-I99 HydrophobicContact CD1-CD1 3.82Å; L95-I99 HydrophobicContact CD1-CG1 4.14Å; L95-I99 HydrophobicContact CG-CD1 3.99Å; L95-I99 WeakPolarHBondContact O-CD1 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.48Å; L95-I99 PolarHBondContact O-N 2.74Å; I99-S101 PolarHBondContact O-N 2.97Å; I99-R102 PolarHBondContact O-N 3.49Å; I99-R103 HydrophobicContact CG2-CG 4.44Å; I99-R103 WeakPolarHBondContact O-CB 3.4Å; I99-R103 WeakPolarHBondContact O-CG 3.28Å; I99-R103 PolarHBondContact O-N 3.05Å; I99-F120 HydrophobicContact CD1-CD2 4.42Å; I99-F120 HydrophobicContact CD1-CE2 3.77Å; I99-F120 HydrophobicContact CG1-CD2 4.03Å; I99-F120 HydrophobicContact CG1-CE2 3.8Å; I99-E177 HydrophobicContact CG1-CG 4.23Å; I99-E177 HydrophobicContact CG2-CB 3.99Å; I99-E177 HydrophobicContact CG2-CG 4.01Å; I99-V180 HydrophobicContact CD1-CG1 4.02Å; I99-L181 HydrophobicContact CB-CD2 4.35Å; I99-L181 HydrophobicContact CD1-CD2 3.8Å; I99-L181 HydrophobicContact CD1-CG 3.95Å; I99-L181 HydrophobicContact CG2-CD1 3.88Å; I99-L181 HydrophobicContact CG2-CD2 4.26Å; I99-L181 HydrophobicContact CG2-CG 4.14Å
100S92.9Very high91.2Very high48 Ų4858.1 Ų58.134%0.33632%0.323SS..Hα-helixtrans-64.8-27.3-179.7-59.30000113.2Q96 N97 Y98 K104Q96-S100 WeakPolarHBondContact O-CB 3.33Å; Q96-S100 PolarHBondContact O-N 2.9Å; Q96-S100 PolarHBondContact O-OG 2.93Å; N97-S100 PolarHBondContact O-N 3.23Å; Y98-S100 VanDerWaalsContact C-N 3.35Å; Y98-S100 PolarHBondContact O-N 2.69Å; S100-K104 VanDerWaalsContact O-CD 3.3Å; S100-K104 WeakPolarHBondContact O-CD 3.48Å; S100-K104 VanDerWaalsContact O-CG 3.26Å; S100-K104 WeakPolarHBondContact O-CG 3.49Å
101S91.7Very high90.9Very high77 Ų7761.1 Ų61.154%0.53833%0.332SS..Hα-helixtrans-79.5-43.5175.7-57.60000110.8N97 Y98 I99 R103 K104 S105N97-S101 VanDerWaalsContact O-CB 3.28Å; N97-S101 WeakPolarHBondContact O-CB 3.25Å; N97-S101 PolarHBondContact O-N 3.4Å; N97-S101 PolarHBondContact O-OG 3.04Å; Y98-S101 PolarHBondContact O-N 3.5Å; I99-S101 PolarHBondContact O-N 2.97Å; S101-R103 PolarHBondContact O-N 2.71Å; S101-K104 PolarHBondContact O-N 2.92Å; S101-S105 PolarHBondContact O-N 3.24Å
102R89.5Confident90.5Very high37 Ų3766 Ų6614%0.1436%0.362CS..Hα-helixtrans-60.1-45.6176-158.5-141.8-50.1-72.510.2111.6Y98 I99 K104 S105 Y108 E177Y98-R102 PolarHBondContact O-N 3.18Å; Y98-R102 PolarHBondContact OH-NH1 3.45Å; I99-R102 PolarHBondContact O-N 3.49Å; R102-K104 PolarHBondContact O-N 2.95Å; R102-S105 WeakPolarHBondContact O-CB 3.42Å; R102-S105 PolarHBondContact O-N 2.88Å; R102-Y108 HydrophobicContact CB-CD2 4.47Å; R102-Y108 HydrophobicContact CG-CD2 4.03Å; R102-Y108 HydrophobicContact CG-CE2 4.45Å; R102-Y108 WeakPolarHBondContact O-CD2 3.44Å; R102-E177 IonicContact CZ-OE1 3.46Å; R102-E177 IonicContact NE-OE1 2.8Å; R102-E177 PolarHBondContact NE-OE1 2.87Å; R102-E177 IonicContact NH2-OE1 3.23Å; R102-E177 PolarHBondContact NH2-OE1 3.12Å
103R91.5Very high90.2Very high80 Ų8067.2 Ų67.230%0.30237%0.37SS..THydrogen-bonded Turntrans-64.2-16.7179.3-73.3175.8174-152.6-7.2114.7I99 S101 Y108 A174 E177 D178I99-R103 HydrophobicContact CG2-CG 4.44Å; I99-R103 WeakPolarHBondContact O-CB 3.4Å; I99-R103 WeakPolarHBondContact O-CG 3.28Å; I99-R103 PolarHBondContact O-N 3.05Å; S101-R103 PolarHBondContact O-N 2.71Å; R103-Y108 HydrophobicContact CB-CD2 4.48Å; R103-Y108 HydrophobicContact CB-CE2 4.31Å; R103-Y108 HydrophobicContact CG-CD2 4.1Å; R103-Y108 HydrophobicContact CG-CE2 3.46Å; R103-Y108 VanDerWaalsContact CG-CE2 3.46Å; R103-A174 PolarHBondContact NH2-O 2.73Å; R103-A174 VanDerWaalsContact NH2-O 3.14Å; R103-E177 IonicContact CZ-OE2 3.94Å; R103-E177 IonicContact NE-OE2 2.84Å; R103-E177 PolarHBondContact NE-OE2 3.23Å; R103-E177 IonicContact NH2-OE2 2.71Å; R103-D178 IonicContact CZ-OD1 2.7Å; R103-D178 IonicContact NH1-OD1 3.67Å; R103-D178 PolarHBondContact NH1-OD1 3.39Å; R103-D178 IonicContact NH2-OD1 2.77Å; R103-D178 PolarHBondContact NH2-OD1 3.5Å
104K91.2Very high89.9Confident172 Ų17270 Ų7075%0.74838%0.378SS*.THydrogen-bonded Turntrans-91.7-8.9172.9-69.4170.3-172.8178.40113.1S100 S101 R102S100-K104 VanDerWaalsContact O-CD 3.3Å; S100-K104 WeakPolarHBondContact O-CD 3.48Å; S100-K104 VanDerWaalsContact O-CG 3.26Å; S100-K104 WeakPolarHBondContact O-CG 3.49Å; S101-K104 PolarHBondContact O-N 2.92Å; R102-K104 PolarHBondContact O-N 2.95Å
105S89Confident89.5Confident51 Ų5173.2 Ų73.236%0.35739%0.387SS..SBendtrans-72.3135.1177.6-176.10000110.5S101 R102 A107 Y108S101-S105 PolarHBondContact O-N 3.24Å; R102-S105 WeakPolarHBondContact O-CB 3.42Å; R102-S105 PolarHBondContact O-N 2.88Å; S105-A107 PolarHBondContact O-N 2.86Å; S105-A107 VanDerWaalsContact O-N 3.15Å; S105-A107 PolarHBondContact OG-N 2.98Å; S105-Y108 WeakPolarHBondContact O-CB 3.34Å; S105-Y108 PolarHBondContact O-N 3.16Å; S105-Y108 VanDerWaalsContact O-N 3.14Å
106P82.1Confident89.1Confident141 Ų14173.7 Ų73.792%0.91639%0.391SS*.THydrogen-bonded Turntrans-65.2-13.4171.629.1-35.5000112.7
107A86.3Confident88.8Confident81 Ų8173.8 Ų73.867%0.66940%0.395SS*.THydrogen-bonded Turntrans-9723.3174.600000113.3S105 D109S105-A107 PolarHBondContact O-N 2.86Å; S105-A107 VanDerWaalsContact O-N 3.15Å; S105-A107 PolarHBondContact OG-N 2.98Å; A107-D109 PolarHBondContact O-N 3.1Å
108Y89.2Confident88.6Confident52 Ų5274.5 Ų74.520%0.20440%0.399CS..  trans-69.7108.6177.4-178.1-99.2000111.9R102 R103 S105 A174 E177R102-Y108 HydrophobicContact CB-CD2 4.47Å; R102-Y108 HydrophobicContact CG-CD2 4.03Å; R102-Y108 HydrophobicContact CG-CE2 4.45Å; R102-Y108 WeakPolarHBondContact O-CD2 3.44Å; R103-Y108 HydrophobicContact CB-CD2 4.48Å; R103-Y108 HydrophobicContact CB-CE2 4.31Å; R103-Y108 HydrophobicContact CG-CD2 4.1Å; R103-Y108 HydrophobicContact CG-CE2 3.46Å; R103-Y108 VanDerWaalsContact CG-CE2 3.46Å; S105-Y108 WeakPolarHBondContact O-CB 3.34Å; S105-Y108 PolarHBondContact O-N 3.16Å; S105-Y108 VanDerWaalsContact O-N 3.14Å; Y108-A174 WeakPolarHBondContact OH-CA 3.19Å; Y108-A174 WeakPolarHBondContact OH-CB 3.03Å; Y108-E177 WeakPolarHBondContact CE2-OE2 3.4Å; Y108-E177 PolarHBondContact OH-OE2 3.03Å
109D86.4Confident88.5Confident67 Ų6777.3 Ų77.336%0.35841%0.414SS..  trans-92.11178.569.5-33.8000113.6A107 N111 T112 S113A107-D109 PolarHBondContact O-N 3.1Å; D109-N111 PolarHBondContact O-N 3.38Å; D109-T112 PolarHBondContact O-N 2.94Å; D109-T112 PolarHBondContact O-OG1 3.02Å; D109-T112 VanDerWaalsContact O-OG1 3.07Å; D109-S113 WeakPolarHBondContact O-CB 3.15Å; D109-S113 PolarHBondContact O-N 3.29Å; D109-S113 WeakPolarHBondContact OD2-CB 3.35Å; D109-S113 PolarHBondContact OD2-OG 3.23Å
110G85.2Confident88.4Confident0 Ų077.3 Ų77.30%041%0.414CS..THydrogen-bonded Turntrans-64.3-15.6-165.900000116.3V173 A174G110-V173 PolarHBondContact O-N 2.93Å; G110-A174 WeakPolarHBondContact O-CB 3.13Å; G110-A174 PolarHBondContact O-N 3.26Å
111N87.6Confident88.4Confident113 Ų11376.6 Ų76.660%0.60441%0.406SS*.THydrogen-bonded Turntrans-84.4-15.2174.3-70-2.5000113.7D109 F172 A174D109-N111 PolarHBondContact O-N 3.38Å; N111-F172 WeakPolarHBondContact O-CD1 3.35Å; N111-A174 VanDerWaalsContact OD1-CB 3.25Å; N111-A174 WeakPolarHBondContact OD1-CB 3.3Å
112T85.8Confident88.3Confident113 Ų11376.2 Ų76.269%0.69340%0.401SS*.THydrogen-bonded Turntrans-118-32.1-179.3540000112D109 F172D109-T112 PolarHBondContact O-N 2.94Å; D109-T112 PolarHBondContact O-OG1 3.02Å; D109-T112 VanDerWaalsContact O-OG1 3.07Å; T112-F172 WeakPolarHBondContact O-CE1 3.49Å
113S88.7Confident88.5Confident24 Ų2475.3 Ų75.317%0.16840%0.4CS..  trans-77.4141.2176.4-172.80000112.6D109 K115 F172 V173D109-S113 WeakPolarHBondContact O-CB 3.15Å; D109-S113 PolarHBondContact O-N 3.29Å; D109-S113 WeakPolarHBondContact OD2-CB 3.35Å; D109-S113 PolarHBondContact OD2-OG 3.23Å; S113-K115 PolarHBondContact OG-N 3.15Å; S113-F172 WeakPolarHBondContact O-CA 3.49Å; S113-V173 PolarHBondContact O-N 3.29Å
114R87.7Confident88.6Confident128 Ų12871.6 Ų71.648%0.48339%0.386SS..  trans-110.4-5.4171.2-66.9173.4167.3-1375.5112.5D170 F172R114-D170 WeakPolarHBondContact CD-OD1 3.33Å; R114-D170 IonicContact CZ-OD1 3.92Å; R114-D170 IonicContact NE-OD1 3.55Å; R114-D170 IonicContact NH1-OD1 3.61Å; R114-D170 PolarHBondContact NH1-OD1 3.28Å; R114-D170 IonicContact NH1-OD2 2.74Å; R114-D170 PolarHBondContact NH1-OD2 3.3Å; R114-F172 HydrophobicContact CG-CD1 3.95Å; R114-F172 HydrophobicContact CG-CE1 4.16Å
115K86.3Confident88.6Confident159 Ų15965.7 Ų65.769%0.69137%0.365SS*.SBendtrans-95107.6179.5-176.5175.9176.7179.80109.2S113 P117S113-K115 PolarHBondContact OG-N 3.15Å; K115-P117 WeakPolarHBondContact O-CD 3.5Å
116A85.4Confident88.7Confident10 Ų1068.1 Ų68.18%0.08337%0.37CS..  trans-57.3125.9171.200000110.9F120 L121 M176A116-F120 HydrophobicContact CB-CD1 4.1Å; A116-L121 HydrophobicContact CB-CD1 4.13Å; A116-L121 HydrophobicContact CB-CD2 3.76Å; A116-L121 HydrophobicContact CB-CG 3.95Å; A116-M176 HydrophobicContact CB-CE 4.47Å; A116-M176 HydrophobicContact CB-SD 3.83Å
117P89.2Confident89.3Confident37 Ų3761.4 Ų61.424%0.2433%0.327CS..  trans-67.1144.1176.7-26.738.8000112.5K115 E119 F120 L121K115-P117 WeakPolarHBondContact O-CD 3.5Å; P117-E119 PolarHBondContact O-N 3.24Å; P117-F120 VanDerWaalsContact O-CB 3.27Å; P117-F120 WeakPolarHBondContact O-CB 3.42Å; P117-F120 PolarHBondContact O-N 2.9Å; P117-L121 PolarHBondContact O-N 3.2Å
118N89.1Confident89.6Confident111 Ų11157.7 Ų57.759%0.59430%0.295SS*.Hα-helixtrans-52.1-49.5-170.5-64.517.7000113.4F120 L121 T122N118-F120 PolarHBondContact O-N 3.31Å; N118-F120 VanDerWaalsContact O-N 3.1Å; N118-L121 CarbonylContact O-C 3.6Å; N118-L121 WeakPolarHBondContact O-CA 3.37Å; N118-L121 WeakPolarHBondContact O-CB 3.42Å; N118-L121 PolarHBondContact O-N 3.19Å; N118-T122 PolarHBondContact O-N 3.27Å; N118-T122 PolarHBondContact O-OG1 2.88Å
119E90.1Very high89.5Confident122 Ų12256.6 Ų56.657%0.5730%0.3SS*.Hα-helixtrans-52.3-32.8177.4-59.9-56.7116.600114.5Y98 P117 S123Y98-E119 HydrophobicContact CE2-CB 3.66Å; Y98-E119 WeakPolarHBondContact OH-CB 3.43Å; P117-E119 PolarHBondContact O-N 3.24Å; E119-S123 WeakPolarHBondContact O-CB 3.47Å; E119-S123 PolarHBondContact O-N 3.45Å; E119-S123 PolarHBondContact O-OG 3.31Å
120F91.3Very high89.7Confident0 Ų054.2 Ų54.20%029%0.29CS..Hα-helixtrans-70.5-42.3174.6175-100.7000111.5L95 Y98 I99 A116 P117 N118 S123 V124 V167 M176 E177 V180L95-F120 HydrophobicContact CD1-CD2 3.95Å; L95-F120 HydrophobicContact CD1-CE2 4.08Å; Y98-F120 HydrophobicContact CD1-CD2 4.45Å; Y98-F120 HydrophobicContact CE1-CB 3.78Å; Y98-F120 HydrophobicContact CE1-CD2 4.22Å; I99-F120 HydrophobicContact CD1-CD2 4.42Å; I99-F120 HydrophobicContact CD1-CE2 3.77Å; I99-F120 HydrophobicContact CG1-CD2 4.03Å; I99-F120 HydrophobicContact CG1-CE2 3.8Å; A116-F120 HydrophobicContact CB-CD1 4.1Å; P117-F120 VanDerWaalsContact O-CB 3.27Å; P117-F120 WeakPolarHBondContact O-CB 3.42Å; P117-F120 PolarHBondContact O-N 2.9Å; N118-F120 PolarHBondContact O-N 3.31Å; N118-F120 VanDerWaalsContact O-N 3.1Å; F120-S123 PolarHBondContact O-N 3.31Å; F120-V124 HydrophobicContact CE1-CG2 4.3Å; F120-V124 HydrophobicContact CZ-CG2 4.34Å; F120-V124 WeakPolarHBondContact O-CG2 3.3Å; F120-V124 PolarHBondContact O-N 2.98Å; F120-V167 HydrophobicContact CE1-CG1 3.95Å; F120-M176 HydrophobicContact CE1-CG 4.11Å; F120-M176 HydrophobicContact CE1-SD 3.74Å; F120-M176 HydrophobicContact CZ-CG 4.3Å; F120-M176 HydrophobicContact CZ-SD 4.48Å; F120-E177 HydrophobicContact CD2-CG 4.39Å; F120-E177 HydrophobicContact CE2-CG 3.7Å; F120-E177 HydrophobicContact CZ-CG 4.03Å; F120-V180 HydrophobicContact CE2-CG1 4.34Å; F120-V180 HydrophobicContact CZ-CB 4.21Å; F120-V180 HydrophobicContact CZ-CG1 4.33Å; F120-V180 HydrophobicContact CZ-CG2 3.84Å
121L92.5Very high89.9Confident34 Ų3454.2 Ų54.218%0.17829%0.29CS..Hα-helixtrans-66.7-42.2177.6-61173.9000110.4A116 P117 N118 V124 V125 V167 L543A116-L121 HydrophobicContact CB-CD1 4.13Å; A116-L121 HydrophobicContact CB-CD2 3.76Å; A116-L121 HydrophobicContact CB-CG 3.95Å; P117-L121 PolarHBondContact O-N 3.2Å; N118-L121 CarbonylContact O-C 3.6Å; N118-L121 WeakPolarHBondContact O-CA 3.37Å; N118-L121 WeakPolarHBondContact O-CB 3.42Å; N118-L121 PolarHBondContact O-N 3.19Å; L121-V124 PolarHBondContact O-N 2.91Å; L121-V125 WeakPolarHBondContact O-CG2 3.46Å; L121-V125 PolarHBondContact O-N 2.96Å; L121-V167 HydrophobicContact CD2-CB 3.87Å; L121-V167 HydrophobicContact CD2-CG1 4.19Å; L121-V167 HydrophobicContact CD2-CG2 4.38Å; L121-L543 HydrophobicContact CD1-CD1 4.23Å
122T90.8Very high89.9Confident69 Ų6951.5 Ų51.542%0.42327%0.273SS..Hα-helixtrans-55.3-52.3170.6-49.70000110.9N118 V124 V125 E126N118-T122 PolarHBondContact O-N 3.27Å; N118-T122 PolarHBondContact O-OG1 2.88Å; T122-V124 VanDerWaalsContact C-N 3.26Å; T122-V124 PolarHBondContact O-N 3.16Å; T122-V125 PolarHBondContact O-N 3.16Å; T122-E126 WeakPolarHBondContact O-CG 3.42Å; T122-E126 PolarHBondContact O-N 2.76Å
123S92.6Very high89.7Confident17 Ų1748 Ų4812%0.11926%0.255CS..Hα-helixtrans-59.5-32.8178.5-60.30000113.5E119 F120 L127E119-S123 WeakPolarHBondContact O-CB 3.47Å; E119-S123 PolarHBondContact O-N 3.45Å; E119-S123 PolarHBondContact O-OG 3.31Å; F120-S123 PolarHBondContact O-N 3.31Å; S123-L127 WeakPolarHBondContact O-CB 3.46Å; S123-L127 PolarHBondContact O-N 2.9Å
124V94.4Very high89.4Confident2 Ų246.9 Ų46.91%0.01225%0.247CC..Hα-helixtrans-75.3-37.8174.4170.20000111.7L95 F120 L121 T122 L127 I128 L163 V167 V180L95-V124 HydrophobicContact CD1-CG2 4.1Å; L95-V124 HydrophobicContact CD2-CG2 3.79Å; F120-V124 HydrophobicContact CE1-CG2 4.3Å; F120-V124 HydrophobicContact CZ-CG2 4.34Å; F120-V124 WeakPolarHBondContact O-CG2 3.3Å; F120-V124 PolarHBondContact O-N 2.98Å; L121-V124 PolarHBondContact O-N 2.91Å; T122-V124 VanDerWaalsContact C-N 3.26Å; T122-V124 PolarHBondContact O-N 3.16Å; V124-L127 PolarHBondContact O-N 3.27Å; V124-I128 HydrophobicContact CG1-CD1 3.92Å; V124-I128 WeakPolarHBondContact O-CG1 3.39Å; V124-I128 PolarHBondContact O-N 3.25Å; V124-L163 HydrophobicContact CG1-CB 4.25Å; V124-V167 HydrophobicContact CB-CG1 4.48Å; V124-V167 HydrophobicContact CG1-CG1 4.03Å; V124-V167 HydrophobicContact CG2-CG1 4.21Å; V124-V180 HydrophobicContact CG2-CG1 4.28Å; V124-V180 HydrophobicContact CG2-CG2 4.48Å
125V91.6Very high89.2Confident49 Ų4941.7 Ų41.730%0.29723%0.229SC..Hα-helixtrans-67-43176170.20000111L121 T122 L127 I128 G129 L543L121-V125 WeakPolarHBondContact O-CG2 3.46Å; L121-V125 PolarHBondContact O-N 2.96Å; T122-V125 PolarHBondContact O-N 3.16Å; V125-L127 VanDerWaalsContact C-N 3.31Å; V125-L127 PolarHBondContact O-N 3.19Å; V125-I128 PolarHBondContact O-N 3.43Å; V125-G129 PolarHBondContact O-N 3.34Å; V125-L543 HydrophobicContact CG2-CD2 4.05Å
126E91.2Very high88.8Confident101 Ų10136.5 Ų36.547%0.47222%0.216SC..Hα-helixtrans-55-46171.3-74.3-179.4-174.500111.9T122 I128 G129 A130T122-E126 WeakPolarHBondContact O-CG 3.42Å; T122-E126 PolarHBondContact O-N 2.76Å; E126-I128 PolarHBondContact O-N 2.68Å; E126-G129 PolarHBondContact O-N 3.21Å; E126-G129 VanDerWaalsContact O-N 3.15Å; E126-A130 PolarHBondContact O-N 3.47Å
127L93.8Very high88.3Confident0 Ų036.1 Ų36.10%021%0.212CC..Hα-helixtrans-63.1-42.9180178.260.8000111.7L88 S91 S92 L95 S123 V124 V125 G129 A130 A131 L163 V184 L187L88-L127 HydrophobicContact CD1-CD1 3.63Å; S91-L127 VanDerWaalsContact OG-CA 3.25Å; S91-L127 WeakPolarHBondContact OG-CA 3.33Å; S91-L127 PolarHBondContact OG-N 3.29Å; S92-L127 VanDerWaalsContact OG-CD1 3.28Å; S92-L127 WeakPolarHBondContact OG-CD1 3.43Å; L95-L127 HydrophobicContact CD2-CD2 3.65Å; S123-L127 WeakPolarHBondContact O-CB 3.46Å; S123-L127 PolarHBondContact O-N 2.9Å; V124-L127 PolarHBondContact O-N 3.27Å; V125-L127 VanDerWaalsContact C-N 3.31Å; V125-L127 PolarHBondContact O-N 3.19Å; L127-G129 VanDerWaalsContact C-N 3.33Å; L127-A130 PolarHBondContact O-N 3.37Å; L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 3.49Å; L127-L163 HydrophobicContact CD2-CD1 3.76Å; L127-L163 HydrophobicContact CG-CD1 4.14Å; L127-V184 HydrophobicContact CD2-CG2 3.65Å; L127-L187 HydrophobicContact CD1-CD1 4.2Å; L127-L187 HydrophobicContact CD2-CD1 4.04Å; L127-L187 HydrophobicContact CG-CD1 4.21Å
128I92.3Very high87.7Confident3 Ų334.7 Ų34.72%0.01520%0.202CC..Hα-helixtrans-65.9-36.9174.3-68165.3000110.6V124 V125 E126 A131 K132 L163V124-I128 HydrophobicContact CG1-CD1 3.92Å; V124-I128 WeakPolarHBondContact O-CG1 3.39Å; V124-I128 PolarHBondContact O-N 3.25Å; V125-I128 PolarHBondContact O-N 3.43Å; E126-I128 PolarHBondContact O-N 2.68Å; I128-A131 PolarHBondContact O-N 2.68Å; I128-K132 HydrophobicContact CG2-CG 4.48Å; I128-K132 WeakPolarHBondContact O-CB 3.48Å; I128-K132 WeakPolarHBondContact O-CG 3.43Å; I128-K132 PolarHBondContact O-N 2.85Å; I128-L163 HydrophobicContact CD1-CB 4.08Å; I128-L163 HydrophobicContact CG1-CB 4.36Å; I128-L163 HydrophobicContact CG1-CD1 3.96Å
129G88.3Confident86.8Confident29 Ų2933.1 Ų33.130%0.29919%0.194SC..Hα-helixtrans-62.2-48.4174.600000112.7V125 E126 L127 A131 K132 A133V125-G129 PolarHBondContact O-N 3.34Å; E126-G129 PolarHBondContact O-N 3.21Å; E126-G129 VanDerWaalsContact O-N 3.15Å; L127-G129 VanDerWaalsContact C-N 3.33Å; G129-A131 VanDerWaalsContact C-N 3.3Å; G129-A131 PolarHBondContact O-N 3.41Å; G129-K132 WeakPolarHBondContact O-CB 3.44Å; G129-K132 PolarHBondContact O-N 3.37Å; G129-A133 PolarHBondContact O-N 2.74Å
130A89.6Confident85.8Confident18 Ų1829 Ų2915%0.14917%0.173CC..Hα-helixtrans-63.1-36.2175.300000112.3L88 E126 L127 A133 L134L88-A130 HydrophobicContact CB-CB 4.18Å; L88-A130 HydrophobicContact CD1-CB 4.1Å; E126-A130 PolarHBondContact O-N 3.47Å; L127-A130 PolarHBondContact O-N 3.37Å; A130-A133 PolarHBondContact O-N 2.84Å; A130-L134 PolarHBondContact O-N 2.91Å; A130-L134 VanDerWaalsContact O-N 3.15Å
131A90.6Very high84.1Confident0 Ų030.1 Ų30.10%018%0.183CC..Hα-helixtrans-69.1-40.9174.500000112.5L88 L127 I128 G129 L134 L135 I156 C160L88-A131 HydrophobicContact CD1-CB 4Å; L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 3.49Å; I128-A131 PolarHBondContact O-N 2.68Å; G129-A131 VanDerWaalsContact C-N 3.3Å; G129-A131 PolarHBondContact O-N 3.41Å; A131-L134 PolarHBondContact O-N 2.83Å; A131-L135 WeakPolarHBondContact O-CB 3.34Å; A131-L135 WeakPolarHBondContact O-CG 3.35Å; A131-L135 PolarHBondContact O-N 3.26Å; A131-I156 HydrophobicContact CB-CG2 3.97Å; A131-C160 VanDerWaalsContact CB-SG 3.54Å
132K85.9Confident82.3Confident56 Ų5630.4 Ų30.424%0.24319%0.187CC..Hα-helixtrans-58.4-45.3171.5-82.1-177.1172.6-171.60111.4I128 G129 L134 L135 A136 W546I128-K132 HydrophobicContact CG2-CG 4.48Å; I128-K132 WeakPolarHBondContact O-CB 3.48Å; I128-K132 WeakPolarHBondContact O-CG 3.43Å; I128-K132 PolarHBondContact O-N 2.85Å; G129-K132 WeakPolarHBondContact O-CB 3.44Å; G129-K132 PolarHBondContact O-N 3.37Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 3.39Å; K132-L135 WeakPolarHBondContact O-CB 3.3Å; K132-L135 PolarHBondContact O-N 3.17Å; K132-A136 WeakPolarHBondContact O-CB 3.39Å; K132-A136 PolarHBondContact O-N 2.81Å; K132-W546 HydrophobicContact CD-CZ2 4.16Å
133A81.6Confident80.9Confident39 Ų3927.8 Ų27.832%0.32217%0.169SC..Hα-helixtrans-62.9-40.1179.100000112.2L84 G129 A130 W137L84-A133 HydrophobicContact CD2-CB 3.79Å; G129-A133 PolarHBondContact O-N 2.74Å; A130-A133 PolarHBondContact O-N 2.84Å; A133-W137 PolarHBondContact O-N 3.12Å
134L83.7Confident79.1Confident1 Ų130.7 Ų30.71%0.00519%0.187CC..Hα-helixtrans-64.5-44172.7-179.960.5000112.3M81 L84 V85 L88 A130 A131 K132 W137 L138 I156M81-L134 HydrophobicContact CE-CD1 3.56Å; M81-L134 HydrophobicContact SD-CD1 3.46Å; M81-L134 WeakPolarHBondContact SD-CD1 3.14Å; L84-L134 HydrophobicContact CB-CD1 4.25Å; V85-L134 HydrophobicContact CG2-CD1 3.7Å; V85-L134 HydrophobicContact CG2-CD2 4.06Å; L88-L134 HydrophobicContact CD2-CD2 3.48Å; L88-L134 VanDerWaalsContact CD2-CD2 3.48Å; A130-L134 PolarHBondContact O-N 2.91Å; A130-L134 VanDerWaalsContact O-N 3.15Å; A131-L134 PolarHBondContact O-N 2.83Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 3.39Å; L134-W137 PolarHBondContact O-N 2.97Å; L134-L138 HydrophobicContact CG-CD1 4.26Å; L134-L138 WeakPolarHBondContact O-CG 3.27Å; L134-L138 PolarHBondContact O-N 3.1Å; L134-I156 HydrophobicContact CD2-CD1 4Å
135L82.9Confident77.1Confident18 Ų1834.2 Ų34.29%0.09422%0.224CC..Hα-helixtrans-59.7-47.4175.8-76.8168.6000112A131 K132 W137 L138 D139 K153 I156 I157A131-L135 WeakPolarHBondContact O-CB 3.34Å; A131-L135 WeakPolarHBondContact O-CG 3.35Å; A131-L135 PolarHBondContact O-N 3.26Å; K132-L135 WeakPolarHBondContact O-CB 3.3Å; K132-L135 PolarHBondContact O-N 3.17Å; L135-W137 PolarHBondContact O-N 2.95Å; L135-L138 PolarHBondContact O-N 3.48Å; L135-L138 VanDerWaalsContact O-N 3.12Å; L135-D139 PolarHBondContact O-N 2.84Å; L135-K153 HydrophobicContact CD2-CB 4.15Å; L135-K153 HydrophobicContact CD2-CG 3.44Å; L135-K153 VanDerWaalsContact CD2-CG 3.44Å; L135-I156 HydrophobicContact CD1-CG2 3.91Å; L135-I156 HydrophobicContact CD2-CB 4.02Å; L135-I156 HydrophobicContact CD2-CG2 4.1Å; L135-I156 HydrophobicContact CG-CB 4.35Å; L135-I156 HydrophobicContact CG-CG2 3.86Å; L135-I157 HydrophobicContact CD1-CG1 3.68Å; L135-I157 HydrophobicContact CD2-CD1 4.26Å; L135-I157 HydrophobicContact CD2-CG1 3.83Å; L135-I157 HydrophobicContact CG-CG1 4.44Å
136A76.9Confident75.9Confident50 Ų5035.1 Ų35.141%0.41323%0.226SC..Hα-helixtrans-64.4-20178.600000113.4K132 R140K132-A136 WeakPolarHBondContact O-CB 3.39Å; K132-A136 PolarHBondContact O-N 2.81Å; A136-R140 PolarHBondContact O-NH1 3Å
137W76.3Confident74.7Confident2 Ų235 Ų351%0.00823%0.233CC..Hα-helixtrans-83.8-42.7170.6-160.7108.4000111.7D79 M81 L84 A133 L134 L135 D139 R140 F143 P293D79-W137 PolarHBondContact O-NE1 3.33Å; M81-W137 HydrophobicContact CB-CD2 4.45Å; M81-W137 HydrophobicContact CB-CE3 4.29Å; M81-W137 HydrophobicContact CB-CH2 3.75Å; M81-W137 HydrophobicContact CB-CZ2 3.92Å; M81-W137 HydrophobicContact CB-CZ3 3.93Å; M81-W137 HydrophobicContact CE-CD2 3.9Å; M81-W137 HydrophobicContact CE-CE3 3.18Å; M81-W137 HydrophobicContact CE-CH2 4.4Å; M81-W137 HydrophobicContact CE-CZ3 3.47Å; M81-W137 VanDerWaalsContact CE-CZ3 3.47Å; M81-W137 HydrophobicContact CG-CZ3 4.47Å; L84-W137 HydrophobicContact CD1-CB 3.51Å; L84-W137 VanDerWaalsContact CD1-CD1 3.42Å; L84-W137 HydrophobicContact CD1-CG 3.61Å; A133-W137 PolarHBondContact O-N 3.12Å; L134-W137 PolarHBondContact O-N 2.97Å; L135-W137 PolarHBondContact O-N 2.95Å; W137-D139 PolarHBondContact O-N 2.98Å; W137-R140 WeakPolarHBondContact O-CB 3.4Å; W137-R140 PolarHBondContact O-N 3.4Å; W137-R140 VanDerWaalsContact O-N 3.13Å; W137-F143 HydrophobicContact CE3-CD2 4.09Å; W137-F143 HydrophobicContact CE3-CE2 4.06Å; W137-F143 HydrophobicContact CH2-CD2 4.24Å; W137-F143 AromaticContact CH2-CE2 3.39Å; W137-F143 HydrophobicContact CH2-CE2 3.39Å; W137-F143 AromaticContact CH2-CZ 3.63Å; W137-F143 HydrophobicContact CH2-CZ 3.63Å; W137-F143 AromaticContact CZ3-CD2 3.52Å; W137-F143 HydrophobicContact CZ3-CD2 3.52Å; W137-F143 HydrophobicContact CZ3-CE1 4.2Å; W137-F143 AromaticContact CZ3-CE2 3.11Å; W137-F143 HydrophobicContact CZ3-CE2 3.11Å; W137-F143 HydrophobicContact CZ3-CG 4.25Å; W137-F143 AromaticContact CZ3-CZ 3.51Å; W137-F143 HydrophobicContact CZ3-CZ 3.51Å; W137-P293 HydrophobicContact CZ2-CB 4.28Å; W137-P293 HydrophobicContact CZ2-CG 3.85Å
138L76.3Confident73.5Confident7 Ų740.5 Ų40.54%0.03726%0.262CS..Hα-helixtrans-63.7-23.9175.3-70.7173000113.5M81 L134 L135 R140 F143 F149 I156M81-L138 HydrophobicContact CE-CD2 3.58Å; M81-L138 HydrophobicContact CE-CG 3.98Å; L134-L138 HydrophobicContact CG-CD1 4.26Å; L134-L138 WeakPolarHBondContact O-CG 3.27Å; L134-L138 PolarHBondContact O-N 3.1Å; L135-L138 PolarHBondContact O-N 3.48Å; L135-L138 VanDerWaalsContact O-N 3.12Å; L138-R140 PolarHBondContact O-N 3.34Å; L138-F143 WeakPolarHBondContact O-CB 3.32Å; L138-F149 HydrophobicContact CD2-CB 4.44Å; L138-F149 HydrophobicContact CD2-CD1 3.62Å; L138-F149 HydrophobicContact CD2-CE1 4.21Å; L138-F149 HydrophobicContact CD2-CG 4.23Å; L138-I156 HydrophobicContact CD1-CD1 4.28Å
139D71Confident72.7Confident78 Ų7841.7 Ų41.742%0.41727%0.267SS..THydrogen-bonded Turntrans-814.5174.8-82.8-15.2000114.6L135 W137 T144 K153L135-D139 PolarHBondContact O-N 2.84Å; W137-D139 PolarHBondContact O-N 2.98Å; D139-T144 WeakPolarHBondContact O-CG2 3.45Å; D139-K153 VanDerWaalsContact OD1-CD 3.27Å; D139-K153 WeakPolarHBondContact OD1-CD 3.49Å; D139-K153 WeakPolarHBondContact OD1-CE 3.46Å; D139-K153 IonicContact OD1-NZ 2.72Å; D139-K153 PolarHBondContact OD1-NZ 2.9Å; D139-K153 WeakPolarHBondContact OD2-CE 3.32Å; D139-K153 IonicContact OD2-NZ 3.99Å; D139-K153 PolarHBondContact OD2-NZ 2.89Å
140R67.9Low72.3Confident35 Ų3543.1 Ų43.113%0.13227%0.272CS..SBendtrans-93.1137.4170-61.2-176178.4101.88.5110.7A136 W137 L138 F143 E257 R292A136-R140 PolarHBondContact O-NH1 3Å; W137-R140 WeakPolarHBondContact O-CB 3.4Å; W137-R140 PolarHBondContact O-N 3.4Å; W137-R140 VanDerWaalsContact O-N 3.13Å; L138-R140 PolarHBondContact O-N 3.34Å; R140-F143 WeakPolarHBondContact O-CD2 3.32Å; R140-F143 PolarHBondContact O-N 3.39Å; R140-E257 IonicContact CZ-OE1 3.83Å; R140-E257 IonicContact NE-OE1 3.97Å; R140-E257 PolarHBondContact NE-OE1 3.39Å; R140-E257 IonicContact NH2-OE1 2.93Å; R140-E257 PolarHBondContact NH2-OE1 2.92Å; R140-E257 IonicContact NH2-OE2 2.62Å; R140-R292 HydrophobicContact CB-CG 4.31Å
141A55.9Low72Confident25 Ų2547 Ų4721%0.20729%0.294CS..THydrogen-bonded Turntrans-61.5136.516800000110.2T144 R292A141-T144 VanDerWaalsContact CA-OG1 3.29Å; A141-T144 WeakPolarHBondContact CA-OG1 3.49Å; A141-T144 VanDerWaalsContact CB-OG1 3.3Å; A141-T144 WeakPolarHBondContact CB-OG1 3.38Å; A141-R292 WeakPolarHBondContact O-CD 3.19Å; A141-R292 PolarHBondContact O-NH1 2.83Å
142P54.6Low71.8Confident40 Ų4048.8 Ų48.826%0.2631%0.305SS..THydrogen-bonded Turncis-85.9-6.822.133-38.6000117T144 F299P142-T144 VanDerWaalsContact C-N 3.28Å; P142-T144 PolarHBondContact O-N 3.33Å; P142-F299 HydrophobicContact CB-CZ 4.22Å
143F61Low71.7Confident13 Ų1348.6 Ų48.66%0.05730%0.304CS..SBendtrans-71.7-24.6-170.4-52.6-76.3000112.9W137 L138 R140 G145 I146 F149 M203W137-F143 HydrophobicContact CE3-CD2 4.09Å; W137-F143 HydrophobicContact CE3-CE2 4.06Å; W137-F143 HydrophobicContact CH2-CD2 4.24Å; W137-F143 AromaticContact CH2-CE2 3.39Å; W137-F143 HydrophobicContact CH2-CE2 3.39Å; W137-F143 AromaticContact CH2-CZ 3.63Å; W137-F143 HydrophobicContact CH2-CZ 3.63Å; W137-F143 AromaticContact CZ3-CD2 3.52Å; W137-F143 HydrophobicContact CZ3-CD2 3.52Å; W137-F143 HydrophobicContact CZ3-CE1 4.2Å; W137-F143 AromaticContact CZ3-CE2 3.11Å; W137-F143 HydrophobicContact CZ3-CE2 3.11Å; W137-F143 HydrophobicContact CZ3-CG 4.25Å; W137-F143 AromaticContact CZ3-CZ 3.51Å; W137-F143 HydrophobicContact CZ3-CZ 3.51Å; L138-F143 WeakPolarHBondContact O-CB 3.32Å; R140-F143 WeakPolarHBondContact O-CD2 3.32Å; R140-F143 PolarHBondContact O-N 3.39Å; F143-G145 PolarHBondContact O-N 2.9Å; F143-I146 HydrophobicContact CD1-CD1 4.3Å; F143-I146 PolarHBondContact O-N 3.33Å; F143-I146 VanDerWaalsContact O-N 3.16Å; F143-F149 AromaticContact CD1-CD2 3.86Å; F143-F149 HydrophobicContact CD1-CD2 3.86Å; F143-F149 AromaticContact CD1-CE2 3.82Å; F143-F149 HydrophobicContact CD1-CE2 3.82Å; F143-F149 HydrophobicContact CD1-CG 4.42Å; F143-F149 HydrophobicContact CD1-CZ 4.35Å; F143-F149 HydrophobicContact CE1-CE2 4.28Å; F143-M203 HydrophobicContact CE1-CE 4.37Å; F143-M203 HydrophobicContact CE1-CG 4.33Å; F143-M203 HydrophobicContact CZ-CG 4.33Å
144T55.3Low72.1Confident78 Ų7850.8 Ų50.848%0.47931%0.311SS..THydrogen-bonded Turntrans-61.798.9167.856.70000111.7D139 A141 P142D139-T144 WeakPolarHBondContact O-CG2 3.45Å; A141-T144 VanDerWaalsContact CA-OG1 3.29Å; A141-T144 WeakPolarHBondContact CA-OG1 3.49Å; A141-T144 VanDerWaalsContact CB-OG1 3.3Å; A141-T144 WeakPolarHBondContact CB-OG1 3.38Å; P142-T144 VanDerWaalsContact C-N 3.28Å; P142-T144 PolarHBondContact O-N 3.33Å
145G53.5Low72.5Confident77 Ų7755.9 Ų55.979%0.79433%0.333SS*.THydrogen-bonded Turntrans121.8-13.6179.600000114.1F143F143-G145 PolarHBondContact O-N 2.9Å
146I65.4Low72.9Confident67 Ų6755 Ų5534%0.34433%0.328SS..  trans-79.7121172.3-54.9177.8000108.6F143 D148 F149 S150F143-I146 HydrophobicContact CD1-CD1 4.3Å; F143-I146 PolarHBondContact O-N 3.33Å; F143-I146 VanDerWaalsContact O-N 3.16Å; I146-D148 VanDerWaalsContact C-N 3.3Å; I146-D148 PolarHBondContact O-N 3Å; I146-F149 HydrophobicContact CB-CD2 3.89Å; I146-F149 HydrophobicContact CD1-CD2 4.04Å; I146-F149 HydrophobicContact CD1-CE2 4.29Å; I146-F149 HydrophobicContact CG2-CD2 3.69Å; I146-F149 HydrophobicContact CG2-CE2 4.3Å; I146-F149 PolarHBondContact O-N 2.82Å; I146-S150 PolarHBondContact O-N 3.36Å
147T65.5Low73.6Confident100 Ų10054.1 Ų54.161%0.61332%0.316SS*.Hα-helixtrans-54.1-44.9-174.246.40000113F149 S150 V151T147-F149 PolarHBondContact O-N 3.26Å; T147-S150 WeakPolarHBondContact O-CB 3.47Å; T147-S150 PolarHBondContact O-N 3Å; T147-V151 WeakPolarHBondContact O-CG2 3.34Å; T147-V151 PolarHBondContact O-N 3Å
148D69.6Low74.4Confident114 Ų11459.2 Ų59.261%0.6134%0.34SS*.Hα-helixtrans-72.8-34-169.7-58.11000111.3I146 T152I146-D148 VanDerWaalsContact C-N 3.3Å; I146-D148 PolarHBondContact O-N 3Å; D148-T152 WeakPolarHBondContact O-CB 3.43Å; D148-T152 PolarHBondContact O-N 2.91Å; D148-T152 VanDerWaalsContact O-N 3.07Å; D148-T152 PolarHBondContact O-OG1 3.36Å
149F75.2Confident75.3Confident28 Ų2859.4 Ų59.412%0.12334%0.341CS..Hα-helixtrans-74.2-33.9171.7-68.9-63.1000112.1L138 F143 I146 T147 T152 K153 M203L138-F149 HydrophobicContact CD2-CB 4.44Å; L138-F149 HydrophobicContact CD2-CD1 3.62Å; L138-F149 HydrophobicContact CD2-CE1 4.21Å; L138-F149 HydrophobicContact CD2-CG 4.23Å; F143-F149 AromaticContact CD1-CD2 3.86Å; F143-F149 HydrophobicContact CD1-CD2 3.86Å; F143-F149 AromaticContact CD1-CE2 3.82Å; F143-F149 HydrophobicContact CD1-CE2 3.82Å; F143-F149 HydrophobicContact CD1-CG 4.42Å; F143-F149 HydrophobicContact CD1-CZ 4.35Å; F143-F149 HydrophobicContact CE1-CE2 4.28Å; I146-F149 HydrophobicContact CB-CD2 3.89Å; I146-F149 HydrophobicContact CD1-CD2 4.04Å; I146-F149 HydrophobicContact CD1-CE2 4.29Å; I146-F149 HydrophobicContact CG2-CD2 3.69Å; I146-F149 HydrophobicContact CG2-CE2 4.3Å; I146-F149 PolarHBondContact O-N 2.82Å; T147-F149 PolarHBondContact O-N 3.26Å; F149-T152 PolarHBondContact O-N 3.41Å; F149-K153 VanDerWaalsContact O-CB 3.3Å; F149-K153 WeakPolarHBondContact O-CB 3.12Å; F149-K153 PolarHBondContact O-N 3.34Å; F149-M203 HydrophobicContact CE2-CE 4.28Å; F149-M203 HydrophobicContact CZ-CE 3.82Å; F149-M203 HydrophobicContact CZ-SD 4.44Å
150S79.4Confident76.4Confident59 Ų5956 Ų5641%0.41332%0.323SS..Hα-helixtrans-62.8-46.8172.9-175.80000112.3I146 T147 T152 K153 N154I146-S150 PolarHBondContact O-N 3.36Å; T147-S150 WeakPolarHBondContact O-CB 3.47Å; T147-S150 PolarHBondContact O-N 3Å; S150-T152 VanDerWaalsContact C-N 3.31Å; S150-T152 PolarHBondContact O-N 3.4Å; S150-K153 PolarHBondContact O-N 2.95Å; S150-N154 WeakPolarHBondContact O-CB 3.33Å; S150-N154 VanDerWaalsContact O-CG 3.27Å; S150-N154 PolarHBondContact O-N 3.5Å; S150-N154 PolarHBondContact O-ND2 3.21Å
151V84.2Confident77.6Confident101 Ų10155.8 Ų55.861%0.61233%0.325SS*.Hα-helixtrans-61.2-41173.9174.20000111.1T147 K155T147-V151 WeakPolarHBondContact O-CG2 3.34Å; T147-V151 PolarHBondContact O-N 3Å; V151-K155 WeakPolarHBondContact O-CB 3.32Å; V151-K155 PolarHBondContact O-N 2.82Å
152T85Confident79.4Confident37 Ų3758 Ų5823%0.22733%0.333CS..Hα-helixtrans-66.1-45.4178.2-59.70000112D148 F149 S150 K155 I156 I190D148-T152 WeakPolarHBondContact O-CB 3.43Å; D148-T152 PolarHBondContact O-N 2.91Å; D148-T152 VanDerWaalsContact O-N 3.07Å; D148-T152 PolarHBondContact O-OG1 3.36Å; F149-T152 PolarHBondContact O-N 3.41Å; S150-T152 VanDerWaalsContact C-N 3.31Å; S150-T152 PolarHBondContact O-N 3.4Å; T152-K155 PolarHBondContact O-N 3.47Å; T152-I156 HydrophobicContact CG2-CD1 3.98Å; T152-I156 WeakPolarHBondContact O-CG1 3.34Å; T152-I156 PolarHBondContact O-N 3.07Å; T152-I190 HydrophobicContact CG2-CG2 3.66Å
153K85.3Confident81.2Confident51 Ų5156.1 Ų56.122%0.22232%0.321CS..Hα-helixtrans-54.5-56.3174.4-179.3-1541741620110.8L135 D139 F149 S150 K155 I156 I157L135-K153 HydrophobicContact CD2-CB 4.15Å; L135-K153 HydrophobicContact CD2-CG 3.44Å; L135-K153 VanDerWaalsContact CD2-CG 3.44Å; D139-K153 VanDerWaalsContact OD1-CD 3.27Å; D139-K153 WeakPolarHBondContact OD1-CD 3.49Å; D139-K153 WeakPolarHBondContact OD1-CE 3.46Å; D139-K153 IonicContact OD1-NZ 2.72Å; D139-K153 PolarHBondContact OD1-NZ 2.9Å; D139-K153 WeakPolarHBondContact OD2-CE 3.32Å; D139-K153 IonicContact OD2-NZ 3.99Å; D139-K153 PolarHBondContact OD2-NZ 2.89Å; F149-K153 VanDerWaalsContact O-CB 3.3Å; F149-K153 WeakPolarHBondContact O-CB 3.12Å; F149-K153 PolarHBondContact O-N 3.34Å; S150-K153 PolarHBondContact O-N 2.95Å; K153-K155 PolarHBondContact O-N 3.33Å; K153-I156 PolarHBondContact O-N 3.25Å; K153-I156 VanDerWaalsContact O-N 3.07Å; K153-I157 HydrophobicContact CD-CD1 4.27Å; K153-I157 HydrophobicContact CG-CD1 4.01Å; K153-I157 WeakPolarHBondContact O-CG1 3.23Å; K153-I157 PolarHBondContact O-N 3.28Å
154N89.3Confident82.7Confident86 Ų8655.8 Ų55.846%0.4632%0.32SS..Hα-helixtrans-58.9-37.8-177.9-68.1-19.1000111.1S150 I157 Q158S150-N154 WeakPolarHBondContact O-CB 3.33Å; S150-N154 VanDerWaalsContact O-CG 3.27Å; S150-N154 PolarHBondContact O-N 3.5Å; S150-N154 PolarHBondContact O-ND2 3.21Å; N154-I157 PolarHBondContact O-N 3.31Å; N154-Q158 WeakPolarHBondContact O-CG 3.24Å; N154-Q158 PolarHBondContact O-N 3.33Å
155K92.2Very high84.5Confident108 Ų10855.5 Ų55.547%0.4732%0.318SS..Hα-helixtrans-67.2-41.6175.1-169.5167.6-175.7171.40113.3V151 T152 K153 I157 Q158 L159 V186 I190V151-K155 WeakPolarHBondContact O-CB 3.32Å; V151-K155 PolarHBondContact O-N 2.82Å; T152-K155 PolarHBondContact O-N 3.47Å; K153-K155 PolarHBondContact O-N 3.33Å; K155-I157 VanDerWaalsContact C-N 3.32Å; K155-I157 PolarHBondContact O-N 3.31Å; K155-Q158 PolarHBondContact O-N 2.96Å; K155-L159 HydrophobicContact CG-CD1 4.1Å; K155-L159 WeakPolarHBondContact O-CD1 3.34Å; K155-L159 VanDerWaalsContact O-CG 3.23Å; K155-L159 WeakPolarHBondContact O-CG 3.5Å; K155-L159 PolarHBondContact O-N 2.84Å; K155-V186 VanDerWaalsContact CE-CG1 3.44Å; K155-I190 HydrophobicContact CD-CD1 4.16Å; K155-I190 HydrophobicContact CG-CD1 4.08Å
156I91.4Very high86.3Confident0 Ų052.6 Ų52.60%029%0.285CS..Hα-helixtrans-63.6-40175.3-63.5162.6000110.5A131 L134 L135 L138 T152 K153 L159 C160 L187 I190A131-I156 HydrophobicContact CB-CG2 3.97Å; L134-I156 HydrophobicContact CD2-CD1 4Å; L135-I156 HydrophobicContact CD1-CG2 3.91Å; L135-I156 HydrophobicContact CD2-CB 4.02Å; L135-I156 HydrophobicContact CD2-CG2 4.1Å; L135-I156 HydrophobicContact CG-CB 4.35Å; L135-I156 HydrophobicContact CG-CG2 3.86Å; L138-I156 HydrophobicContact CD1-CD1 4.28Å; T152-I156 HydrophobicContact CG2-CD1 3.98Å; T152-I156 WeakPolarHBondContact O-CG1 3.34Å; T152-I156 PolarHBondContact O-N 3.07Å; K153-I156 PolarHBondContact O-N 3.25Å; K153-I156 VanDerWaalsContact O-N 3.07Å; I156-L159 PolarHBondContact O-N 3.29Å; I156-C160 PolarHBondContact O-N 3.35Å; I156-C160 PolarHBondContact O-SG 3.06Å; I156-L187 HydrophobicContact CG2-CD2 4.45Å; I156-I190 HydrophobicContact CD1-CG2 4.1Å; I156-I190 HydrophobicContact CG1-CD1 4.04Å; I156-I190 HydrophobicContact CG1-CG2 4.21Å
157I91.3Very high87.5Confident31 Ų3150.4 Ų50.416%0.15928%0.275CS..Hα-helixtrans-59.5-49.2175.5-70.1169.6000111.1L135 K153 N154 K155 L159 C160 L161L135-I157 HydrophobicContact CD1-CG1 3.68Å; L135-I157 HydrophobicContact CD2-CD1 4.26Å; L135-I157 HydrophobicContact CD2-CG1 3.83Å; L135-I157 HydrophobicContact CG-CG1 4.44Å; K153-I157 HydrophobicContact CD-CD1 4.27Å; K153-I157 HydrophobicContact CG-CD1 4.01Å; K153-I157 WeakPolarHBondContact O-CG1 3.23Å; K153-I157 PolarHBondContact O-N 3.28Å; N154-I157 PolarHBondContact O-N 3.31Å; K155-I157 VanDerWaalsContact C-N 3.32Å; K155-I157 PolarHBondContact O-N 3.31Å; I157-L159 VanDerWaalsContact C-N 3.32Å; I157-L159 PolarHBondContact O-N 2.98Å; I157-C160 PolarHBondContact O-N 2.93Å; I157-C160 VanDerWaalsContact O-N 3.17Å; I157-L161 HydrophobicContact CG2-CD1 3.96Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 2.91Å
158Q93.7Very high88.6Confident108 Ų10850.1 Ų50.151%0.50527%0.266SS..Hα-helixtrans-58.3-44.2176.2-67.7-60.9-68.100111.6N154 K155 C160 L161 D162N154-Q158 WeakPolarHBondContact O-CG 3.24Å; N154-Q158 PolarHBondContact O-N 3.33Å; K155-Q158 PolarHBondContact O-N 2.96Å; Q158-C160 VanDerWaalsContact C-N 3.3Å; Q158-C160 PolarHBondContact O-N 3.48Å; Q158-L161 CarbonylContact O-C 3.47Å; Q158-L161 WeakPolarHBondContact O-CB 3.33Å; Q158-L161 PolarHBondContact O-N 3.37Å; Q158-L161 VanDerWaalsContact O-N 3.12Å; Q158-D162 VanDerWaalsContact O-CG 3.32Å; Q158-D162 PolarHBondContact O-N 3.03Å
159L94.7Very high89.6Confident12 Ų1249.3 Ų49.36%0.06326%0.257CS..Hα-helixtrans-64.3-32.1178.1-66.3166.3000112.9K155 I156 I157 D162 L163 V183 V186 L187 I190K155-L159 HydrophobicContact CG-CD1 4.1Å; K155-L159 WeakPolarHBondContact O-CD1 3.34Å; K155-L159 VanDerWaalsContact O-CG 3.23Å; K155-L159 WeakPolarHBondContact O-CG 3.5Å; K155-L159 PolarHBondContact O-N 2.84Å; I156-L159 PolarHBondContact O-N 3.29Å; I157-L159 VanDerWaalsContact C-N 3.32Å; I157-L159 PolarHBondContact O-N 2.98Å; L159-D162 PolarHBondContact O-N 3.03Å; L159-L163 WeakPolarHBondContact O-CG 3.47Å; L159-L163 PolarHBondContact O-N 3.49Å; L159-V183 HydrophobicContact CB-CG1 3.81Å; L159-V183 HydrophobicContact CD2-CB 4.38Å; L159-V183 HydrophobicContact CD2-CG1 3.84Å; L159-V183 HydrophobicContact CD2-CG2 4.25Å; L159-V183 HydrophobicContact CG-CG1 4.34Å; L159-V186 HydrophobicContact CD1-CB 4.14Å; L159-V186 HydrophobicContact CD1-CG1 3.67Å; L159-V186 HydrophobicContact CD2-CB 4.08Å; L159-V186 HydrophobicContact CD2-CG1 4.08Å; L159-L187 HydrophobicContact CB-CD2 4.04Å; L159-L187 HydrophobicContact CB-CG 4.35Å; L159-L187 HydrophobicContact CD1-CD2 3.74Å; L159-L187 HydrophobicContact CD1-CG 4.08Å; L159-I190 HydrophobicContact CD1-CD1 3.69Å
160C93.7Very high90.1Very high5 Ų553.3 Ų53.33%0.03428%0.28CS..Hα-helixtrans-71.5-34.9173.8-64.80000112.4A131 I156 I157 Q158 T164A131-C160 VanDerWaalsContact CB-SG 3.54Å; I156-C160 PolarHBondContact O-N 3.35Å; I156-C160 PolarHBondContact O-SG 3.06Å; I157-C160 PolarHBondContact O-N 2.93Å; I157-C160 VanDerWaalsContact O-N 3.17Å; Q158-C160 VanDerWaalsContact C-N 3.3Å; Q158-C160 PolarHBondContact O-N 3.48Å; C160-T164 WeakPolarHBondContact O-CB 3.45Å; C160-T164 PolarHBondContact O-N 2.66Å; C160-T164 VanDerWaalsContact O-N 3.1Å; C160-T164 PolarHBondContact O-OG1 2.89Å
161L93Very high90.6Very high32 Ų3250.7 Ų50.717%0.16826%0.261CS..Hα-helixtrans-69.5-38.5171.9-68.1162.9000111.4I157 Q158 T164 T165 L550 T554I157-L161 HydrophobicContact CG2-CD1 3.96Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 2.91Å; Q158-L161 CarbonylContact O-C 3.47Å; Q158-L161 WeakPolarHBondContact O-CB 3.33Å; Q158-L161 PolarHBondContact O-N 3.37Å; Q158-L161 VanDerWaalsContact O-N 3.12Å; L161-T164 PolarHBondContact O-N 3.13Å; L161-T165 WeakPolarHBondContact O-CB 3.13Å; L161-T165 WeakPolarHBondContact O-CG2 3.35Å; L161-T165 PolarHBondContact O-N 2.84Å; L161-T165 PolarHBondContact O-OG1 2.86Å; L161-L550 HydrophobicContact CD2-CD2 3.91Å; L161-L550 HydrophobicContact CD2-CG 4.08Å; L161-L550 HydrophobicContact CG-CD2 4.48Å; L161-T554 HydrophobicContact CD1-CG2 4.07Å
162D93.5Very high91Very high71 Ų7149.8 Ų49.838%0.3825%0.25SC..Hα-helixtrans-64.9-45.6175.6-72-25.9000111.9Q158 L159 T164 T165 T166 V183Q158-D162 VanDerWaalsContact O-CG 3.32Å; Q158-D162 PolarHBondContact O-N 3.03Å; L159-D162 PolarHBondContact O-N 3.03Å; D162-T164 VanDerWaalsContact C-N 3.34Å; D162-T165 PolarHBondContact O-OG1 3.46Å; D162-T166 WeakPolarHBondContact O-CB 3.36Å; D162-T166 PolarHBondContact O-N 2.8Å; D162-T166 PolarHBondContact O-OG1 3Å; D162-V183 HydrophobicContact CB-CG2 3.87Å
163L93.9Very high91.3Very high1 Ų148 Ų481%0.00524%0.239CC..Hα-helixtrans-57.6-49.5172.2-74.3172.3000110.9V124 L127 I128 L159 T166 V167 V180 V183 L187V124-L163 HydrophobicContact CG1-CB 4.25Å; L127-L163 HydrophobicContact CD2-CD1 3.76Å; L127-L163 HydrophobicContact CG-CD1 4.14Å; I128-L163 HydrophobicContact CD1-CB 4.08Å; I128-L163 HydrophobicContact CG1-CB 4.36Å; I128-L163 HydrophobicContact CG1-CD1 3.96Å; L159-L163 WeakPolarHBondContact O-CG 3.47Å; L159-L163 PolarHBondContact O-N 3.49Å; L163-T166 PolarHBondContact O-N 3.07Å; L163-V167 PolarHBondContact O-N 2.95Å; L163-V180 HydrophobicContact CD2-CB 4.24Å; L163-V180 HydrophobicContact CD2-CG1 4Å; L163-V180 HydrophobicContact CD2-CG2 3.93Å; L163-V183 HydrophobicContact CD1-CG1 4.05Å; L163-V183 HydrophobicContact CD2-CB 3.92Å; L163-V183 HydrophobicContact CD2-CG1 3.81Å; L163-V183 HydrophobicContact CD2-CG2 4.49Å; L163-V183 HydrophobicContact CG-CB 4.22Å; L163-V183 HydrophobicContact CG-CG1 3.61Å; L163-L187 HydrophobicContact CD1-CD1 4.23Å
164T92.2Very high91.6Very high6 Ų646.2 Ų46.24%0.03723%0.233CC..Hα-helixtrans-59.2-50.1-177.7-71.80000112.3C160 L161 D162 V167 Q168 F547 L550C160-T164 WeakPolarHBondContact O-CB 3.45Å; C160-T164 PolarHBondContact O-N 2.66Å; C160-T164 VanDerWaalsContact O-N 3.1Å; C160-T164 PolarHBondContact O-OG1 2.89Å; L161-T164 PolarHBondContact O-N 3.13Å; D162-T164 VanDerWaalsContact C-N 3.34Å; T164-V167 WeakPolarHBondContact O-CG2 3.44Å; T164-Q168 VanDerWaalsContact CG2-NE2 3.28Å; T164-Q168 VanDerWaalsContact O-CG 3.25Å; T164-Q168 WeakPolarHBondContact O-CG 3.41Å; T164-Q168 PolarHBondContact O-N 3.25Å; T164-F547 HydrophobicContact CG2-CD1 3.46Å; T164-F547 VanDerWaalsContact CG2-CD1 3.46Å; T164-F547 HydrophobicContact CG2-CE1 3.61Å; T164-F547 HydrophobicContact CG2-CG 4.26Å; T164-F547 HydrophobicContact CG2-CZ 4.48Å; T164-L550 HydrophobicContact CG2-CD2 3.85Å; T164-L550 WeakPolarHBondContact OG1-CD2 3.38Å
165T92.4Very high91.8Very high71 Ų7145.5 Ų45.544%0.43623%0.227SC..Hα-helixtrans-71.8-30.7178.453.40000112.3L161 D162 Q168 K169L161-T165 WeakPolarHBondContact O-CB 3.13Å; L161-T165 WeakPolarHBondContact O-CG2 3.35Å; L161-T165 PolarHBondContact O-N 2.84Å; L161-T165 PolarHBondContact O-OG1 2.86Å; D162-T165 PolarHBondContact O-OG1 3.46Å; T165-Q168 PolarHBondContact O-N 2.68Å; T165-K169 PolarHBondContact O-N 3.21Å
166T91.7Very high91.8Very high16 Ų1640.5 Ų40.510%0.09821%0.206CC..Hα-helixtrans-63.1-47174.3-68.70000111.7D162 L163 Q168 K169 M176 K179 V180D162-T166 WeakPolarHBondContact O-CB 3.36Å; D162-T166 PolarHBondContact O-N 2.8Å; D162-T166 PolarHBondContact O-OG1 3Å; L163-T166 PolarHBondContact O-N 3.07Å; T166-Q168 VanDerWaalsContact C-N 3.3Å; T166-Q168 PolarHBondContact O-N 3.24Å; T166-K169 PolarHBondContact O-N 3.25Å; T166-M176 HydrophobicContact CG2-CB 4.46Å; T166-M176 HydrophobicContact CG2-CG 3.81Å; T166-M176 WeakPolarHBondContact CG2-O 3.48Å; T166-K179 HydrophobicContact CG2-CB 3.66Å; T166-K179 HydrophobicContact CG2-CD 4.1Å; T166-V180 HydrophobicContact CG2-CG2 3.88Å
167V91.4Very high91.9Very high22 Ų2240.5 Ų40.513%0.13321%0.206CC..Hα-helixtrans-74.9-17.7179.9-58.30000114.1F120 L121 V124 L163 T164 M176 V180 F547F120-V167 HydrophobicContact CE1-CG1 3.95Å; L121-V167 HydrophobicContact CD2-CB 3.87Å; L121-V167 HydrophobicContact CD2-CG1 4.19Å; L121-V167 HydrophobicContact CD2-CG2 4.38Å; V124-V167 HydrophobicContact CB-CG1 4.48Å; V124-V167 HydrophobicContact CG1-CG1 4.03Å; V124-V167 HydrophobicContact CG2-CG1 4.21Å; L163-V167 PolarHBondContact O-N 2.95Å; T164-V167 WeakPolarHBondContact O-CG2 3.44Å; V167-M176 HydrophobicContact CB-SD 4.29Å; V167-M176 HydrophobicContact CG1-CG 4.46Å; V167-M176 HydrophobicContact CG1-SD 4.24Å; V167-V180 HydrophobicContact CG1-CG2 4.41Å; V167-F547 HydrophobicContact CG2-CZ 4.05Å
168Q88.6Confident92.1Very high93 Ų9343 Ų4344%0.43522%0.219SC..Hα-helixtrans-82.8-25.3171.4-71.7168.819.800113.7T164 T165 T166 D170 F547T164-Q168 VanDerWaalsContact CG2-NE2 3.28Å; T164-Q168 VanDerWaalsContact O-CG 3.25Å; T164-Q168 WeakPolarHBondContact O-CG 3.41Å; T164-Q168 PolarHBondContact O-N 3.25Å; T165-Q168 PolarHBondContact O-N 2.68Å; T166-Q168 VanDerWaalsContact C-N 3.3Å; T166-Q168 PolarHBondContact O-N 3.24Å; Q168-D170 PolarHBondContact O-N 2.9Å; Q168-F547 HydrophobicContact CG-CD2 3.88Å; Q168-F547 HydrophobicContact CG-CE2 3.54Å; Q168-F547 HydrophobicContact CG-CZ 4.08Å
169K88.6Confident92.1Very high98 Ų9841.1 Ų41.143%0.42621%0.209SC..SBendtrans-69.9125.1-173.1-172.6-163.7167.8-164.50110.1T165 T166 C171 E175T165-K169 PolarHBondContact O-N 3.21Å; T166-K169 PolarHBondContact O-N 3.25Å; K169-C171 HydrophobicContact CD-CB 4.14Å; K169-C171 HydrophobicContact CG-CB 4.43Å; K169-C171 PolarHBondContact O-N 3.3Å; K169-C171 PolarHBondContact O-SG 2.62Å; K169-E175 IonicContact NZ-OE1 2.78Å; K169-E175 PolarHBondContact NZ-OE1 2.7Å
170D86.3Confident92.1Very high111 Ų11140.5 Ų40.559%0.59421%0.206SC*.  trans-59.8101.1163.9177.431.8000110.1R114 Q168R114-D170 WeakPolarHBondContact CD-OD1 3.33Å; R114-D170 IonicContact CZ-OD1 3.92Å; R114-D170 IonicContact NE-OD1 3.55Å; R114-D170 IonicContact NH1-OD1 3.61Å; R114-D170 PolarHBondContact NH1-OD1 3.28Å; R114-D170 IonicContact NH1-OD2 2.74Å; R114-D170 PolarHBondContact NH1-OD2 3.3Å; Q168-D170 PolarHBondContact O-N 2.9Å
171C90.5Very high92.2Very high4 Ų441.3 Ų41.33%0.02721%0.21CC..SBendtrans-159.6169.8177.759.70000109.3K169 E175K169-C171 HydrophobicContact CD-CB 4.14Å; K169-C171 HydrophobicContact CG-CB 4.43Å; K169-C171 PolarHBondContact O-N 3.3Å; K169-C171 PolarHBondContact O-SG 2.62Å; C171-E175 HydrophobicContact CB-CB 4.44Å; C171-E175 WeakPolarHBondContact CB-OE2 3.36Å
172F92.4Very high92.3Very high83 Ų8343.7 Ų43.736%0.36423%0.226SC..  trans-68.2145177.3-65.8-71000111N111 T112 S113 R114 A174 E175 M176N111-F172 WeakPolarHBondContact O-CD1 3.35Å; T112-F172 WeakPolarHBondContact O-CE1 3.49Å; S113-F172 WeakPolarHBondContact O-CA 3.49Å; R114-F172 HydrophobicContact CG-CD1 3.95Å; R114-F172 HydrophobicContact CG-CE1 4.16Å; F172-A174 PolarHBondContact O-N 3.44Å; F172-A174 VanDerWaalsContact O-N 3.13Å; F172-E175 WeakPolarHBondContact O-CB 3.4Å; F172-E175 PolarHBondContact O-N 2.77Å; F172-M176 PolarHBondContact O-N 3.28Å
173V91.8Very high92.4Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-58.2-30-177.9172.40000111.5G110 S113 M176 E177G110-V173 PolarHBondContact O-N 2.93Å; S113-V173 PolarHBondContact O-N 3.29Å; V173-M176 PolarHBondContact O-N 2.99Å; V173-E177 HydrophobicContact CG1-CG 4.15Å; V173-E177 VanDerWaalsContact O-CB 3.29Å; V173-E177 WeakPolarHBondContact O-CB 3.09Å; V173-E177 VanDerWaalsContact O-CG 3.27Å; V173-E177 WeakPolarHBondContact O-CG 3.43Å; V173-E177 PolarHBondContact O-N 3.26Å
174A91.3Very high92.5Very high13 Ų1340.8 Ų40.811%0.10721%0.211CC..Hα-helixtrans-62.9-45.3171.800000113.7R103 Y108 G110 N111 F172 M176 E177 D178R103-A174 PolarHBondContact NH2-O 2.73Å; R103-A174 VanDerWaalsContact NH2-O 3.14Å; Y108-A174 WeakPolarHBondContact OH-CA 3.19Å; Y108-A174 WeakPolarHBondContact OH-CB 3.03Å; G110-A174 WeakPolarHBondContact O-CB 3.13Å; G110-A174 PolarHBondContact O-N 3.26Å; N111-A174 VanDerWaalsContact OD1-CB 3.25Å; N111-A174 WeakPolarHBondContact OD1-CB 3.3Å; F172-A174 PolarHBondContact O-N 3.44Å; F172-A174 VanDerWaalsContact O-N 3.13Å; A174-M176 VanDerWaalsContact C-N 3.3Å; A174-M176 PolarHBondContact O-N 3.45Å; A174-E177 PolarHBondContact O-N 3.49Å; A174-D178 PolarHBondContact O-N 3.13Å
175E92.6Very high92.6Very high70 Ų7047 Ų4733%0.32724%0.237SC..Hα-helixtrans-64.2-37.8176.2-173.5-166144.800110.9K169 C171 F172 K179K169-E175 IonicContact NZ-OE1 2.78Å; K169-E175 PolarHBondContact NZ-OE1 2.7Å; C171-E175 HydrophobicContact CB-CB 4.44Å; C171-E175 WeakPolarHBondContact CB-OE2 3.36Å; F172-E175 WeakPolarHBondContact O-CB 3.4Å; F172-E175 PolarHBondContact O-N 2.77Å; E175-K179 WeakPolarHBondContact O-CG 3.37Å; E175-K179 PolarHBondContact O-N 2.92Å; E175-K179 IonicContact OE1-NZ 3.25Å; E175-K179 PolarHBondContact OE1-NZ 3.36Å
176M93.1Very high92.8Very high4 Ų445.9 Ų45.92%0.0223%0.23CC..Hα-helixtrans-66.2-49.9175.8-170.9-175.3-70.900111.4A116 F120 T166 V167 F172 V173 A174 D178 K179 V180A116-M176 HydrophobicContact CB-CE 4.47Å; A116-M176 HydrophobicContact CB-SD 3.83Å; F120-M176 HydrophobicContact CE1-CG 4.11Å; F120-M176 HydrophobicContact CE1-SD 3.74Å; F120-M176 HydrophobicContact CZ-CG 4.3Å; F120-M176 HydrophobicContact CZ-SD 4.48Å; T166-M176 HydrophobicContact CG2-CB 4.46Å; T166-M176 HydrophobicContact CG2-CG 3.81Å; T166-M176 WeakPolarHBondContact CG2-O 3.48Å; V167-M176 HydrophobicContact CB-SD 4.29Å; V167-M176 HydrophobicContact CG1-CG 4.46Å; V167-M176 HydrophobicContact CG1-SD 4.24Å; F172-M176 PolarHBondContact O-N 3.28Å; V173-M176 PolarHBondContact O-N 2.99Å; A174-M176 VanDerWaalsContact C-N 3.3Å; A174-M176 PolarHBondContact O-N 3.45Å; M176-D178 PolarHBondContact O-N 2.97Å; M176-K179 PolarHBondContact O-N 3.09Å; M176-V180 WeakPolarHBondContact O-CG2 3.33Å; M176-V180 PolarHBondContact O-N 3.13Å
177E94.3Very high92.9Very high0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-60.2-40.8177-79177.7171.600112.1I99 R102 R103 Y108 F120 V173 A174 K179 V180 L181I99-E177 HydrophobicContact CG1-CG 4.23Å; I99-E177 HydrophobicContact CG2-CB 3.99Å; I99-E177 HydrophobicContact CG2-CG 4.01Å; R102-E177 IonicContact CZ-OE1 3.46Å; R102-E177 IonicContact NE-OE1 2.8Å; R102-E177 PolarHBondContact NE-OE1 2.87Å; R102-E177 IonicContact NH2-OE1 3.23Å; R102-E177 PolarHBondContact NH2-OE1 3.12Å; R103-E177 IonicContact CZ-OE2 3.94Å; R103-E177 IonicContact NE-OE2 2.84Å; R103-E177 PolarHBondContact NE-OE2 3.23Å; R103-E177 IonicContact NH2-OE2 2.71Å; Y108-E177 WeakPolarHBondContact CE2-OE2 3.4Å; Y108-E177 PolarHBondContact OH-OE2 3.03Å; F120-E177 HydrophobicContact CD2-CG 4.39Å; F120-E177 HydrophobicContact CE2-CG 3.7Å; F120-E177 HydrophobicContact CZ-CG 4.03Å; V173-E177 HydrophobicContact CG1-CG 4.15Å; V173-E177 VanDerWaalsContact O-CB 3.29Å; V173-E177 WeakPolarHBondContact O-CB 3.09Å; V173-E177 VanDerWaalsContact O-CG 3.27Å; V173-E177 WeakPolarHBondContact O-CG 3.43Å; V173-E177 PolarHBondContact O-N 3.26Å; A174-E177 PolarHBondContact O-N 3.49Å; E177-K179 PolarHBondContact O-N 2.8Å; E177-V180 PolarHBondContact O-N 3.5Å; E177-L181 WeakPolarHBondContact O-CB 3.36Å; E177-L181 VanDerWaalsContact O-CG 3.24Å; E177-L181 WeakPolarHBondContact O-CG 3.5Å; E177-L181 PolarHBondContact O-N 3.04Å
178D94.4Very high92.9Very high82 Ų8244.8 Ų44.844%0.43922%0.223SC..Hα-helixtrans-66-37.7178.9-82.9-14.3000113.2R103 A174 M176 T182R103-D178 IonicContact CZ-OD1 2.7Å; R103-D178 IonicContact NH1-OD1 3.67Å; R103-D178 PolarHBondContact NH1-OD1 3.39Å; R103-D178 IonicContact NH2-OD1 2.77Å; R103-D178 PolarHBondContact NH2-OD1 3.5Å; A174-D178 PolarHBondContact O-N 3.13Å; M176-D178 PolarHBondContact O-N 2.97Å; D178-T182 WeakPolarHBondContact O-CB 3.44Å; D178-T182 PolarHBondContact O-N 3.37Å; D178-T182 PolarHBondContact O-OG1 2.95Å
179K94.4Very high93.1Very high69 Ų6942 Ų4230%0.322%0.219SC..Hα-helixtrans-69.4-44.1174.1-72.6171.7-168.6166.40111.8T166 E175 M176 E177 L181 T182 V183T166-K179 HydrophobicContact CG2-CB 3.66Å; T166-K179 HydrophobicContact CG2-CD 4.1Å; E175-K179 WeakPolarHBondContact O-CG 3.37Å; E175-K179 PolarHBondContact O-N 2.92Å; E175-K179 IonicContact OE1-NZ 3.25Å; E175-K179 PolarHBondContact OE1-NZ 3.36Å; M176-K179 PolarHBondContact O-N 3.09Å; E177-K179 PolarHBondContact O-N 2.8Å; K179-L181 PolarHBondContact O-N 3.1Å; K179-T182 WeakPolarHBondContact O-CA 3.49Å; K179-T182 WeakPolarHBondContact O-CB 3.43Å; K179-T182 PolarHBondContact O-N 2.89Å; K179-T182 VanDerWaalsContact O-N 3.09Å; K179-V183 PolarHBondContact O-N 3.33Å
180V94.7Very high93.2Very high0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-57.1-51.3173.3167.10000110L95 I99 F120 V124 L163 T166 V167 M176 E177 T182 V183 V184L95-V180 HydrophobicContact CD1-CG1 4.39Å; L95-V180 HydrophobicContact CD2-CG1 3.61Å; L95-V180 HydrophobicContact CG-CG1 4.11Å; I99-V180 HydrophobicContact CD1-CG1 4.02Å; F120-V180 HydrophobicContact CE2-CG1 4.34Å; F120-V180 HydrophobicContact CZ-CB 4.21Å; F120-V180 HydrophobicContact CZ-CG1 4.33Å; F120-V180 HydrophobicContact CZ-CG2 3.84Å; V124-V180 HydrophobicContact CG2-CG1 4.28Å; V124-V180 HydrophobicContact CG2-CG2 4.48Å; L163-V180 HydrophobicContact CD2-CB 4.24Å; L163-V180 HydrophobicContact CD2-CG1 4Å; L163-V180 HydrophobicContact CD2-CG2 3.93Å; T166-V180 HydrophobicContact CG2-CG2 3.88Å; V167-V180 HydrophobicContact CG1-CG2 4.41Å; M176-V180 WeakPolarHBondContact O-CG2 3.33Å; M176-V180 PolarHBondContact O-N 3.13Å; E177-V180 PolarHBondContact O-N 3.5Å; V180-T182 PolarHBondContact O-N 3.14Å; V180-V183 PolarHBondContact O-N 2.82Å; V180-V183 VanDerWaalsContact O-N 3.07Å; V180-V184 HydrophobicContact CG1-CG2 4.18Å; V180-V184 VanDerWaalsContact O-CG2 3.26Å; V180-V184 WeakPolarHBondContact O-CG2 3.25Å; V180-V184 PolarHBondContact O-N 2.77Å
181L95.6Very high93.3Very high22 Ų2232.7 Ų32.712%0.11517%0.174CC..Hα-helixtrans-55.7-35.7175.1-74.1175.4000112.8Q96 I99 E177 K179 K185Q96-L181 HydrophobicContact CB-CD2 4.38Å; Q96-L181 HydrophobicContact CG-CD2 3.86Å; I99-L181 HydrophobicContact CB-CD2 4.35Å; I99-L181 HydrophobicContact CD1-CD2 3.8Å; I99-L181 HydrophobicContact CD1-CG 3.95Å; I99-L181 HydrophobicContact CG2-CD1 3.88Å; I99-L181 HydrophobicContact CG2-CD2 4.26Å; I99-L181 HydrophobicContact CG2-CG 4.14Å; E177-L181 WeakPolarHBondContact O-CB 3.36Å; E177-L181 VanDerWaalsContact O-CG 3.24Å; E177-L181 WeakPolarHBondContact O-CG 3.5Å; E177-L181 PolarHBondContact O-N 3.04Å; K179-L181 PolarHBondContact O-N 3.1Å; L181-K185 VanDerWaalsContact O-CG 3.25Å; L181-K185 WeakPolarHBondContact O-CG 3.33Å; L181-K185 PolarHBondContact O-N 2.86Å
182T95.8Very high93.2Very high81 Ų8134.9 Ų34.950%0.49719%0.185SC..Hα-helixtrans-67.1-46.2175.7-59.80000111.5D178 K179 V180 K185 V186D178-T182 WeakPolarHBondContact O-CB 3.44Å; D178-T182 PolarHBondContact O-N 3.37Å; D178-T182 PolarHBondContact O-OG1 2.95Å; K179-T182 WeakPolarHBondContact O-CA 3.49Å; K179-T182 WeakPolarHBondContact O-CB 3.43Å; K179-T182 PolarHBondContact O-N 2.89Å; K179-T182 VanDerWaalsContact O-N 3.09Å; V180-T182 PolarHBondContact O-N 3.14Å; T182-K185 PolarHBondContact O-N 3.45Å; T182-V186 PolarHBondContact O-N 3.5Å
183V95.4Very high92.8Very high11 Ų1137.8 Ų37.87%0.06720%0.198CC..Hα-helixtrans-61.9-45.5174171.70000111.5L159 D162 L163 K179 V180 K185 V186 L187L159-V183 HydrophobicContact CB-CG1 3.81Å; L159-V183 HydrophobicContact CD2-CB 4.38Å; L159-V183 HydrophobicContact CD2-CG1 3.84Å; L159-V183 HydrophobicContact CD2-CG2 4.25Å; L159-V183 HydrophobicContact CG-CG1 4.34Å; D162-V183 HydrophobicContact CB-CG2 3.87Å; L163-V183 HydrophobicContact CD1-CG1 4.05Å; L163-V183 HydrophobicContact CD2-CB 3.92Å; L163-V183 HydrophobicContact CD2-CG1 3.81Å; L163-V183 HydrophobicContact CD2-CG2 4.49Å; L163-V183 HydrophobicContact CG-CB 4.22Å; L163-V183 HydrophobicContact CG-CG1 3.61Å; K179-V183 PolarHBondContact O-N 3.33Å; V180-V183 PolarHBondContact O-N 2.82Å; V180-V183 VanDerWaalsContact O-N 3.07Å; V183-K185 VanDerWaalsContact C-N 3.3Å; V183-K185 PolarHBondContact O-N 2.96Å; V183-V186 WeakPolarHBondContact O-CA 3.25Å; V183-V186 PolarHBondContact O-N 3.27Å; V183-L187 HydrophobicContact CG1-CD1 3.92Å; V183-L187 HydrophobicContact CG1-CG 4.23Å; V183-L187 PolarHBondContact O-N 2.71Å
184V95.2Very high92.4Very high0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-62.8-35.7-179.9-172.20000112.1S92 L95 Q96 L127 V180 V186 L187 N188S92-V184 VanDerWaalsContact CB-CG1 3.46Å; S92-V184 WeakPolarHBondContact O-CG1 3.47Å; L95-V184 HydrophobicContact CD2-CG2 3.96Å; Q96-V184 HydrophobicContact CG-CB 4.33Å; Q96-V184 HydrophobicContact CG-CG1 3.9Å; L127-V184 HydrophobicContact CD2-CG2 3.65Å; V180-V184 HydrophobicContact CG1-CG2 4.18Å; V180-V184 VanDerWaalsContact O-CG2 3.26Å; V180-V184 WeakPolarHBondContact O-CG2 3.25Å; V180-V184 PolarHBondContact O-N 2.77Å; V184-V186 VanDerWaalsContact C-N 3.29Å; V184-V186 PolarHBondContact O-N 2.99Å; V184-L187 PolarHBondContact O-N 3.19Å; V184-N188 WeakPolarHBondContact O-CB 3.26Å; V184-N188 PolarHBondContact O-N 3.02Å
185K94.9Very high91.9Very high138 Ų13840.3 Ų40.360%0.621%0.209SC*.Hα-helixtrans-58.8-41.1171.6-75164.8-175.8173.10111.8L181 T182 V183 G189L181-K185 VanDerWaalsContact O-CG 3.25Å; L181-K185 WeakPolarHBondContact O-CG 3.33Å; L181-K185 PolarHBondContact O-N 2.86Å; T182-K185 PolarHBondContact O-N 3.45Å; V183-K185 VanDerWaalsContact C-N 3.3Å; V183-K185 PolarHBondContact O-N 2.96Å; K185-G189 PolarHBondContact O-N 3.07Å; K185-G189 VanDerWaalsContact O-N 3.07Å
186V95.1Very high91.3Very high47 Ų4745.7 Ų45.729%0.28523%0.226SC..Hα-helixtrans-71.8-39.5178.1-175.10000111.5K155 L159 T182 V183 V184 G189 I190K155-V186 VanDerWaalsContact CE-CG1 3.44Å; L159-V186 HydrophobicContact CD1-CB 4.14Å; L159-V186 HydrophobicContact CD1-CG1 3.67Å; L159-V186 HydrophobicContact CD2-CB 4.08Å; L159-V186 HydrophobicContact CD2-CG1 4.08Å; T182-V186 PolarHBondContact O-N 3.5Å; V183-V186 WeakPolarHBondContact O-CA 3.25Å; V183-V186 PolarHBondContact O-N 3.27Å; V184-V186 VanDerWaalsContact C-N 3.29Å; V184-V186 PolarHBondContact O-N 2.99Å; V186-G189 CarbonylContact O-C 3.51Å; V186-G189 PolarHBondContact O-N 3.36Å; V186-I190 HydrophobicContact CG1-CD1 4.46Å; V186-I190 WeakPolarHBondContact O-CG1 3.41Å; V186-I190 PolarHBondContact O-N 2.88Å
187L93.9Very high90.1Very high1 Ų148.5 Ų48.51%0.00525%0.246CC..Hα-helixtrans-61.9-47.9174.6-72.5171.1000111.7L127 I156 L159 L163 V183 V184 G189 I190 C191L127-L187 HydrophobicContact CD1-CD1 4.2Å; L127-L187 HydrophobicContact CD2-CD1 4.04Å; L127-L187 HydrophobicContact CG-CD1 4.21Å; I156-L187 HydrophobicContact CG2-CD2 4.45Å; L159-L187 HydrophobicContact CB-CD2 4.04Å; L159-L187 HydrophobicContact CB-CG 4.35Å; L159-L187 HydrophobicContact CD1-CD2 3.74Å; L159-L187 HydrophobicContact CD1-CG 4.08Å; L163-L187 HydrophobicContact CD1-CD1 4.23Å; V183-L187 HydrophobicContact CG1-CD1 3.92Å; V183-L187 HydrophobicContact CG1-CG 4.23Å; V183-L187 PolarHBondContact O-N 2.71Å; V184-L187 PolarHBondContact O-N 3.19Å; L187-G189 VanDerWaalsContact C-N 3.28Å; L187-G189 PolarHBondContact O-N 3.49Å; L187-I190 CarbonylContact O-C 3.58Å; L187-I190 WeakPolarHBondContact O-CA 3.39Å; L187-I190 WeakPolarHBondContact O-CB 3.48Å; L187-I190 PolarHBondContact O-N 3.15Å; L187-C191 PolarHBondContact O-N 3.07Å; L187-C191 PolarHBondContact O-SG 2.86Å
188N93Very high88.6Confident13 Ų1349.3 Ų49.37%0.0725%0.251CS..Hα-helixtrans-59-39.6173.6-85-21.3000111.9S92 V184 I190 C191 D192S92-N188 VanDerWaalsContact CB-OD1 3.22Å; S92-N188 WeakPolarHBondContact CB-OD1 3.47Å; V184-N188 WeakPolarHBondContact O-CB 3.26Å; V184-N188 PolarHBondContact O-N 3.02Å; N188-I190 PolarHBondContact O-N 2.82Å; N188-C191 WeakPolarHBondContact O-CB 3.39Å; N188-C191 PolarHBondContact O-N 3.27Å; N188-D192 WeakPolarHBondContact O-CB 3.42Å; N188-D192 PolarHBondContact O-N 3.41Å
189G91.6Very high86.7Confident34 Ų3451.4 Ų51.435%0.35127%0.267SS..Hα-helixtrans-66.2-17.317300000115K185 V186 L187 K193K185-G189 PolarHBondContact O-N 3.07Å; K185-G189 VanDerWaalsContact O-N 3.07Å; V186-G189 CarbonylContact O-C 3.51Å; V186-G189 PolarHBondContact O-N 3.36Å; L187-G189 VanDerWaalsContact C-N 3.28Å; L187-G189 PolarHBondContact O-N 3.49Å; G189-K193 WeakPolarHBondContact O-CG 3.48Å
190I90.2Very high85.1Confident13 Ų1351.4 Ų51.47%0.06727%0.27CS..Hα-helixtrans-84.2-47.6168-68.2164.8000109.5T152 K155 I156 L159 V186 L187 N188 D192 K193 T194T152-I190 HydrophobicContact CG2-CG2 3.66Å; K155-I190 HydrophobicContact CD-CD1 4.16Å; K155-I190 HydrophobicContact CG-CD1 4.08Å; I156-I190 HydrophobicContact CD1-CG2 4.1Å; I156-I190 HydrophobicContact CG1-CD1 4.04Å; I156-I190 HydrophobicContact CG1-CG2 4.21Å; L159-I190 HydrophobicContact CD1-CD1 3.69Å; V186-I190 HydrophobicContact CG1-CD1 4.46Å; V186-I190 WeakPolarHBondContact O-CG1 3.41Å; V186-I190 PolarHBondContact O-N 2.88Å; L187-I190 CarbonylContact O-C 3.58Å; L187-I190 WeakPolarHBondContact O-CA 3.39Å; L187-I190 WeakPolarHBondContact O-CB 3.48Å; L187-I190 PolarHBondContact O-N 3.15Å; N188-I190 PolarHBondContact O-N 2.82Å; I190-D192 VanDerWaalsContact C-N 3.28Å; I190-D192 PolarHBondContact O-N 3.27Å; I190-K193 WeakPolarHBondContact O-CA 3.22Å; I190-K193 WeakPolarHBondContact O-CB 3.25Å; I190-K193 PolarHBondContact O-N 2.92Å; I190-T194 PolarHBondContact O-N 3.13Å; I190-T194 PolarHBondContact O-OG1 3.49Å
191C88.8Confident83.3Confident1 Ų156.3 Ų56.31%0.00730%0.302CS..Hα-helixtrans-52.6-45.7175.5-62.20000112.2V85 L187 N188 K193 T194 I195V85-C191 HydrophobicContact CG1-CB 3.55Å; L187-C191 PolarHBondContact O-N 3.07Å; L187-C191 PolarHBondContact O-SG 2.86Å; N188-C191 WeakPolarHBondContact O-CB 3.39Å; N188-C191 PolarHBondContact O-N 3.27Å; C191-K193 PolarHBondContact O-N 3.21Å; C191-T194 PolarHBondContact O-N 2.95Å; C191-I195 WeakPolarHBondContact O-CB 3.28Å; C191-I195 VanDerWaalsContact O-CG1 3.3Å; C191-I195 WeakPolarHBondContact O-CG1 3.28Å; C191-I195 PolarHBondContact O-N 3.42Å
192D88.2Confident81.5Confident50 Ų5056.1 Ų56.127%0.26730%0.302SS..Hα-helixtrans-67.9-17.7176.9-84-39.9000114.2R89 N188 I190 R196R89-D192 IonicContact CZ-OD1 2.76Å; R89-D192 VanDerWaalsContact CZ-OD1 3.23Å; R89-D192 IonicContact CZ-OD2 3.03Å; R89-D192 IonicContact NH1-OD1 3.89Å; R89-D192 PolarHBondContact NH1-OD1 3.21Å; R89-D192 IonicContact NH1-OD2 2.71Å; R89-D192 VanDerWaalsContact NH2-CG 3.26Å; R89-D192 IonicContact NH2-OD1 2.99Å; R89-D192 PolarHBondContact NH2-OD1 3.37Å; R89-D192 IonicContact NH2-OD2 3.13Å; R89-D192 PolarHBondContact NH2-OD2 2.8Å; N188-D192 WeakPolarHBondContact O-CB 3.42Å; N188-D192 PolarHBondContact O-N 3.41Å; I190-D192 VanDerWaalsContact C-N 3.28Å; I190-D192 PolarHBondContact O-N 3.27Å; D192-R196 PolarHBondContact O-NE 2.94Å; D192-R196 PolarHBondContact O-NH2 2.8Å; D192-R196 VanDerWaalsContact O-NH2 3.16Å
193K85.6Confident79.8Confident144 Ų14453 Ų5363%0.62628%0.282SS*.Hα-helixtrans-84.1-51.4169.7-72.8176.7180-166.10110G189 I190 C191 I195 R196 S197G189-K193 WeakPolarHBondContact O-CG 3.48Å; I190-K193 WeakPolarHBondContact O-CA 3.22Å; I190-K193 WeakPolarHBondContact O-CB 3.25Å; I190-K193 PolarHBondContact O-N 2.92Å; C191-K193 PolarHBondContact O-N 3.21Å; K193-I195 VanDerWaalsContact C-N 3.34Å; K193-I195 PolarHBondContact O-N 2.85Å; K193-R196 CarbonylContact O-C 3.54Å; K193-R196 WeakPolarHBondContact O-CA 3.19Å; K193-R196 PolarHBondContact O-N 3.47Å; K193-S197 PolarHBondContact O-N 3.45Å; K193-S197 PolarHBondContact O-OG 3.5Å
194T81.8Confident78.2Confident8 Ų855.4 Ų55.45%0.04930%0.3CS..Hα-helixtrans-58.8-43.1-178.8-48.40000112M81 V85 I190 C191 R196 S197 T198M81-T194 HydrophobicContact CG-CG2 4.16Å; M81-T194 HydrophobicContact SD-CG2 3.44Å; M81-T194 WeakPolarHBondContact SD-CG2 3.2Å; V85-T194 HydrophobicContact CG2-CG2 3.77Å; I190-T194 PolarHBondContact O-N 3.13Å; I190-T194 PolarHBondContact O-OG1 3.49Å; C191-T194 PolarHBondContact O-N 2.95Å; T194-R196 VanDerWaalsContact C-N 3.3Å; T194-R196 PolarHBondContact O-N 3.39Å; T194-S197 CarbonylContact O-C 3.49Å; T194-S197 PolarHBondContact O-N 2.74Å; T194-S197 VanDerWaalsContact O-N 3.11Å; T194-T198 WeakPolarHBondContact O-CB 3.45Å; T194-T198 PolarHBondContact O-N 3.01Å; T194-T198 PolarHBondContact O-OG1 3.37Å
195I81.8Confident76.7Confident59 Ų5958.4 Ų58.430%0.30331%0.314SS..Hα-helixtrans-58.4-40.3174.4-71.2164.2000111.6V85 C191 K193 S197 T198V85-I195 HydrophobicContact CB-CG1 4.42Å; V85-I195 HydrophobicContact CG1-CD1 3.89Å; V85-I195 HydrophobicContact CG1-CG1 3.72Å; C191-I195 WeakPolarHBondContact O-CB 3.28Å; C191-I195 VanDerWaalsContact O-CG1 3.3Å; C191-I195 WeakPolarHBondContact O-CG1 3.28Å; C191-I195 PolarHBondContact O-N 3.42Å; K193-I195 VanDerWaalsContact C-N 3.34Å; K193-I195 PolarHBondContact O-N 2.85Å; I195-S197 VanDerWaalsContact C-N 3.34Å; I195-T198 PolarHBondContact O-N 3.04Å
196R78.6Confident75.1Confident183 Ų18353.9 Ų53.969%0.69130%0.299SS*.Hα-helixtrans-74-22.1177.7-81.1-177.3-77.6-164-7.7113.7D192 K193 T194D192-R196 PolarHBondContact O-NE 2.94Å; D192-R196 PolarHBondContact O-NH2 2.8Å; D192-R196 VanDerWaalsContact O-NH2 3.16Å; K193-R196 CarbonylContact O-C 3.54Å; K193-R196 WeakPolarHBondContact O-CA 3.19Å; K193-R196 PolarHBondContact O-N 3.47Å; T194-R196 VanDerWaalsContact C-N 3.3Å; T194-R196 PolarHBondContact O-N 3.39Å
197S69Low73.7Confident62 Ų6252.1 Ų52.143%0.43429%0.289SS..Hα-helixtrans-83.6-18.9169.2-57.90000113.3K193 T194 I195 T199K193-S197 PolarHBondContact O-N 3.45Å; K193-S197 PolarHBondContact O-OG 3.5Å; T194-S197 CarbonylContact O-C 3.49Å; T194-S197 PolarHBondContact O-N 2.74Å; T194-S197 VanDerWaalsContact O-N 3.11Å; I195-S197 VanDerWaalsContact C-N 3.34Å; S197-T199 PolarHBondContact O-N 3.2Å
198T62Low72.8Confident18 Ų1855 Ų5511%0.1131%0.309CS..THydrogen-bonded Turntrans-82.340.4-177.7-57.30000112.1K82 T194 I195 M203K82-T198 HydrophobicContact CB-CG2 4.1Å; T194-T198 WeakPolarHBondContact O-CB 3.45Å; T194-T198 PolarHBondContact O-N 3.01Å; T194-T198 PolarHBondContact O-OG1 3.37Å; I195-T198 PolarHBondContact O-N 3.04Å; T198-M203 HydrophobicContact CG2-CB 3.77Å
199T56.2Low72.5Confident126 Ų12657.1 Ų57.177%0.77332%0.319SS*.THydrogen-bonded Turntrans-87.2-11.716845.80000112.7S197S197-T199 PolarHBondContact O-N 3.2Å
200D59.1Low72.3Confident68 Ų6858.1 Ų58.136%0.36432%0.315SS..SBendtrans-76.5125.7175.4-174.5-13.8000111.4V202 M203D200-V202 PolarHBondContact O-N 2.67Å; D200-V202 VanDerWaalsContact O-N 3.12Å; D200-V202 WeakPolarHBondContact OD1-CB 3.4Å; D200-V202 VanDerWaalsContact OD1-CG2 3.26Å; D200-V202 WeakPolarHBondContact OD1-CG2 3.41Å; D200-V202 PolarHBondContact OD1-N 2.98Å; D200-M203 HydrophobicContact CB-CE 4.28Å; D200-M203 HydrophobicContact CB-CG 4.34Å; D200-M203 PolarHBondContact O-N 3.03Å
201P58.5Low72.4Confident103 Ų10362.1 Ų62.167%0.66933%0.333SS*.G310 helixtrans-49-33.1171.3-29.336.4000114.6M203 S204P201-M203 PolarHBondContact O-N 2.87Å; P201-S204 WeakPolarHBondContact O-CB 3.33Å; P201-S204 PolarHBondContact O-N 3.47Å
202V57.6Low72.6Confident18 Ų1862 Ų6211%0.10933%0.333CS..G310 helixtrans-61.8-31.3179.4-177.10000112.1D200 S204 G295D200-V202 PolarHBondContact O-N 2.67Å; D200-V202 VanDerWaalsContact O-N 3.12Å; D200-V202 WeakPolarHBondContact OD1-CB 3.4Å; D200-V202 VanDerWaalsContact OD1-CG2 3.26Å; D200-V202 WeakPolarHBondContact OD1-CG2 3.41Å; D200-V202 PolarHBondContact OD1-N 2.98Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 PolarHBondContact O-N 3.23Å; V202-G295 VanDerWaalsContact CG2-CA 3.4Å
203M59.9Low72.8Confident16 Ų1665 Ų658%0.07935%0.345CS..G310 helixtrans-79.3-11.8176.9-61.9-172.4-157.200113.2M81 F143 F149 T198 D200 P201M81-M203 HydrophobicContact CB-CB 4.32Å; M81-M203 WeakPolarHBondContact CB-O 3.42Å; M81-M203 HydrophobicContact CG-CB 4.44Å; F143-M203 HydrophobicContact CE1-CE 4.37Å; F143-M203 HydrophobicContact CE1-CG 4.33Å; F143-M203 HydrophobicContact CZ-CG 4.33Å; F149-M203 HydrophobicContact CE2-CE 4.28Å; F149-M203 HydrophobicContact CZ-CE 3.82Å; F149-M203 HydrophobicContact CZ-SD 4.44Å; T198-M203 HydrophobicContact CG2-CB 3.77Å; D200-M203 HydrophobicContact CB-CE 4.28Å; D200-M203 HydrophobicContact CB-CG 4.34Å; D200-M203 PolarHBondContact O-N 3.03Å; P201-M203 PolarHBondContact O-N 2.87Å
204S61.2Low73Confident62 Ų6258.3 Ų58.343%0.43432%0.316SS..G310 helixtrans-91.5-8.2176.8-61.80000113.6P201 V202P201-S204 WeakPolarHBondContact O-CB 3.33Å; P201-S204 PolarHBondContact O-N 3.47Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 PolarHBondContact O-N 3.23Å
205Q63.1Low73.2Confident63 Ų6361.7 Ų61.729%0.29434%0.338SS..  trans-77.3124-176.8-170.8178.819.600111.3P293 T294Q205-P293 HydrophobicContact CB-CB 4.15Å; Q205-P293 HydrophobicContact CG-CB 4.24Å; Q205-T294 PolarHBondContact NE2-O 3.06Å; Q205-T294 PolarHBondContact OE1-O 3.36Å
206C61.9Low73Confident43 Ų4365.2 Ų65.229%0.29136%0.357SS..  trans-72.1160.2172.1-61.70000111.2N80 C208N80-C206 PolarHBondContact ND2-SG 3.48Å; N80-C206 VanDerWaalsContact ND2-SG 3.43Å; C206-C208 PolarHBondContact O-N 3.14Å
207A66.7Low73.1Confident10 Ų1057.6 Ų57.68%0.08333%0.33CS..  trans-71114.6174.100000110.6K290A207-K290 HydrophobicContact CB-CG 4.18Å
208C73.7Confident73.4Confident61 Ų6161.3 Ų61.341%0.41234%0.339SS..  trans-86.5154.3177.656.80000112.4C206 K291C206-C208 PolarHBondContact O-N 3.14Å; C208-K291 PolarHBondContact O-N 3.1Å
209L86.4Confident73.9Confident57 Ų5766.6 Ų66.630%0.29837%0.373SS..EExtended strand (participates in β ladder)trans-94.8134.1166.1-60.3-175000109.3M1 L76 I259 L288 L289 K290M1-L209 HydrophobicContact CB-CD1 4.24Å; L76-L209 HydrophobicContact CD1-CD1 3.79Å; L76-L209 HydrophobicContact CD1-CD2 4.25Å; L76-L209 HydrophobicContact CD1-CG 4.15Å; L76-L209 HydrophobicContact CD2-CD2 3.62Å; L76-L209 HydrophobicContact CD2-CG 3.96Å; L209-I259 HydrophobicContact CD2-CG1 4.16Å; L209-L288 HydrophobicContact CB-CD1 4.19Å; L209-L288 HydrophobicContact CB-CD2 4.47Å; L209-L288 HydrophobicContact CB-CG 4.28Å; L209-L288 HydrophobicContact CD1-CD2 3.77Å; L209-L288 HydrophobicContact CD1-CG 4.39Å; L209-L289 WeakPolarHBondContact CA-O 3.47Å; L209-K290 HydrophobicContact CD2-CB 3.64Å; L209-K290 HydrophobicContact CD2-CG 4.26Å
210E89.2Confident74.6Confident55 Ų5564.9 Ų64.926%0.25738%0.38SS..EExtended strand (participates in β ladder)trans-122.6135.1170.9-159.4-157.6155.400110.2K251 L289 K291E210-K251 WeakPolarHBondContact OE1-CD 3.42Å; E210-K251 WeakPolarHBondContact OE1-CE 3.49Å; E210-K251 WeakPolarHBondContact OE1-CG 3.28Å; E210-K251 IonicContact OE1-NZ 3.99Å; E210-K251 PolarHBondContact OE1-NZ 2.97Å; E210-L289 PolarHBondContact N-O 3.43Å; E210-L289 PolarHBondContact O-N 2.89Å; E210-K291 HydrophobicContact CB-CD 4.28Å; E210-K291 VanDerWaalsContact CB-CE 3.47Å; E210-K291 HydrophobicContact CB-CG 3.91Å; E210-K291 WeakPolarHBondContact OE2-CE 3.49Å; E210-K291 IonicContact OE2-NZ 3.26Å; E210-K291 PolarHBondContact OE2-NZ 2.89Å
211E91.8Very high75.6Confident97 Ų9764 Ų6445%0.45337%0.374SS..EExtended strand (participates in β ladder)trans-93117.7175.3-160.7169.4124.700110.6H213 V286 L287 L288E211-H213 IonicContact OE1-CE1 2.83Å; E211-H213 PolarHBondContact OE1-CE1 2.88Å; E211-H213 VanDerWaalsContact OE1-CE1 3.26Å; E211-V286 HydrophobicContact CG-CG1 3.65Å; E211-L287 CarbonylContact C-O 3.53Å; E211-L287 WeakPolarHBondContact CA-O 3.27Å; E211-L288 HydrophobicContact CB-CD1 3.84Å; E211-L288 HydrophobicContact CG-CD1 4.22Å
212V92.1Very high76.8Confident0 Ų061.6 Ų61.60%037%0.369CS..EExtended strand (participates in β ladder)trans-112.3119.1-176.8-173.50000109.6L214 K251 I252 L287 L289V212-L214 HydrophobicContact CG1-CD2 4.03Å; V212-K251 HydrophobicContact CB-CB 4.5Å; V212-K251 HydrophobicContact CG1-CB 3.89Å; V212-K251 HydrophobicContact CG1-CD 4.09Å; V212-K251 HydrophobicContact CG2-CB 3.78Å; V212-K251 HydrophobicContact CG2-CD 4.33Å; V212-I252 HydrophobicContact CB-CG1 4.44Å; V212-I252 HydrophobicContact CG1-CD1 4.05Å; V212-I252 HydrophobicContact CG1-CG1 3.83Å; V212-I252 HydrophobicContact CG2-CG1 4.43Å; V212-L287 PolarHBondContact N-O 3.08Å; V212-L287 PolarHBondContact O-N 3.31Å; V212-L289 HydrophobicContact CG2-CD1 4.02Å; V212-L289 HydrophobicContact CG2-CG 4.47Å
213H91.9Very high78.3Confident112 Ų11261.9 Ų61.952%0.51937%0.369SS..EExtended strand (participates in β ladder)trans-93.9127.4176-71.357.3000109.9E211 P215E211-H213 IonicContact OE1-CE1 2.83Å; E211-H213 PolarHBondContact OE1-CE1 2.88Å; E211-H213 VanDerWaalsContact OE1-CE1 3.26Å; H213-P215 VanDerWaalsContact C-CD 3.45Å; H213-P215 VanDerWaalsContact O-CD 3.25Å; H213-P215 WeakPolarHBondContact O-CD 3.39Å
214L89.9Confident79.7Confident4 Ų461.8 Ų61.82%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-113.979.2174.5-56.6-176.3000109.6V212 L223 A246 I252 G284 V285 L287V212-L214 HydrophobicContact CG1-CD2 4.03Å; L214-L223 HydrophobicContact CD1-CD2 4.04Å; L214-A246 HydrophobicContact CD1-CB 4.47Å; L214-I252 HydrophobicContact CD1-CD1 3.95Å; L214-I252 HydrophobicContact CD2-CD1 4Å; L214-I252 HydrophobicContact CG-CD1 4.38Å; L214-G284 CarbonylContact O-C 3.45Å; L214-G284 WeakPolarHBondContact O-CA 3.39Å; L214-V285 WeakPolarHBondContact CB-O 3.25Å; L214-V285 PolarHBondContact N-O 3.1Å; L214-V285 PolarHBondContact O-N 3.48Å; L214-L287 HydrophobicContact CD1-CD1 3.88Å
215P86.3Confident81.2Confident78 Ų7860.2 Ų60.251%0.50636%0.358SS..EExtended strand (participates in β ladder)trans-79.3168.6179.634.6-37.3000112.4H213 I217H213-P215 VanDerWaalsContact C-CD 3.45Å; H213-P215 VanDerWaalsContact O-CD 3.25Å; H213-P215 WeakPolarHBondContact O-CD 3.39Å; P215-I217 PolarHBondContact O-N 3.29Å
216N77.1Confident82.5Confident133 Ų13361.9 Ų61.971%0.71136%0.363SS*.  trans5943.3167.7-56.3-35.5000113.9T283N216-T283 PolarHBondContact N-O 3.32Å
217I81.8Confident84Confident23 Ų2361.3 Ų61.312%0.11836%0.357CS..PPolyproline II helixtrans-72124.9171.3-53.2162.8000107.7P215 E221 L223 V285P215-I217 PolarHBondContact O-N 3.29Å; I217-E221 VanDerWaalsContact CG2-O 3.29Å; I217-E221 WeakPolarHBondContact CG2-O 3.4Å; I217-L223 HydrophobicContact CD1-CD2 3.43Å; I217-L223 VanDerWaalsContact CD1-CD2 3.43Å; I217-L223 HydrophobicContact CG1-CD2 3.98Å; I217-V285 HydrophobicContact CD1-CB 4.38Å; I217-V285 HydrophobicContact CD1-CG2 3.83Å
218K75.9Confident85.2Confident140 Ų14067.7 Ų67.761%0.60938%0.383SS*.PPolyproline II helixtrans-77147.6175.2-61.6172.9-169.8170.20110.3G220 E221K218-G220 PolarHBondContact O-N 3.37Å; K218-G220 VanDerWaalsContact O-N 3.08Å; K218-E221 HydrophobicContact CB-CB 3.89Å; K218-E221 WeakPolarHBondContact CB-OE2 3.37Å; K218-E221 VanDerWaalsContact CD-OE2 3.29Å; K218-E221 WeakPolarHBondContact CD-OE2 3.38Å; K218-E221 VanDerWaalsContact CG-OE2 3.24Å; K218-E221 WeakPolarHBondContact CG-OE2 3.48Å; K218-E221 WeakPolarHBondContact O-CB 3.25Å; K218-E221 PolarHBondContact O-N 2.89Å
219P71.4Confident86Confident130 Ų13066.3 Ų66.384%0.84437%0.374SS*.THydrogen-bonded Turntrans-53.9118.4171.3-26.435.4000111.3
220G71.6Confident85.9Confident89 Ų8966.1 Ų66.192%0.91838%0.375SS*.THydrogen-bonded Turntrans88.1-10.1-175.800000115.9K218 G222K218-G220 PolarHBondContact O-N 3.37Å; K218-G220 VanDerWaalsContact O-N 3.08Å; G220-G222 PolarHBondContact O-N 3.29Å
221E80.3Confident85.2Confident49 Ų4969.8 Ų69.823%0.22939%0.387CS..  trans-77114.9169.8-175.3177.717100109.3I217 K218 P245 R248I217-E221 VanDerWaalsContact CG2-O 3.29Å; I217-E221 WeakPolarHBondContact CG2-O 3.4Å; K218-E221 HydrophobicContact CB-CB 3.89Å; K218-E221 WeakPolarHBondContact CB-OE2 3.37Å; K218-E221 VanDerWaalsContact CD-OE2 3.29Å; K218-E221 WeakPolarHBondContact CD-OE2 3.38Å; K218-E221 VanDerWaalsContact CG-OE2 3.24Å; K218-E221 WeakPolarHBondContact CG-OE2 3.48Å; K218-E221 WeakPolarHBondContact O-CB 3.25Å; K218-E221 PolarHBondContact O-N 2.89Å; E221-P245 HydrophobicContact CG-CG 4.23Å; E221-P245 WeakPolarHBondContact OE1-CD 3.33Å; E221-R248 IonicContact OE1-CZ 3.51Å; E221-R248 VanDerWaalsContact OE1-CZ 3.26Å; E221-R248 IonicContact OE1-NH1 2.74Å; E221-R248 PolarHBondContact OE1-NH1 2.79Å; E221-R248 IonicContact OE1-NH2 2.68Å; E221-R248 PolarHBondContact OE1-NH2 2.76Å; E221-R248 IonicContact OE2-NH2 2.84Å
222G83.6Confident84.3Confident54 Ų5468 Ų6856%0.55738%0.381SS*.  trans-70.3148.7173.500000111.6G220 G224 P245G220-G222 PolarHBondContact O-N 3.29Å; G222-G224 PolarHBondContact O-N 2.92Å; G222-P245 WeakPolarHBondContact O-CD 3.49Å
223L88.6Confident83.7Confident24 Ų2468.9 Ų68.913%0.12639%0.39CS..  trans-54.5-23.4177.4-65.2175000114L214 I217 M225 A246 L278 V285L214-L223 HydrophobicContact CD1-CD2 4.04Å; I217-L223 HydrophobicContact CD1-CD2 3.43Å; I217-L223 VanDerWaalsContact CD1-CD2 3.43Å; I217-L223 HydrophobicContact CG1-CD2 3.98Å; L223-M225 HydrophobicContact CB-CE 4.12Å; L223-M225 HydrophobicContact CD1-CE 3.69Å; L223-A246 WeakPolarHBondContact O-CB 3.48Å; L223-A246 PolarHBondContact O-N 3.35Å; L223-L278 HydrophobicContact CD1-CB 4.03Å; L223-L278 HydrophobicContact CD1-CD2 3.93Å; L223-L278 HydrophobicContact CD1-CG 4.43Å; L223-V285 HydrophobicContact CD1-CG2 4.33Å; L223-V285 HydrophobicContact CD2-CB 4.44Å; L223-V285 HydrophobicContact CD2-CG2 4.23Å
224G89.3Confident83.5Confident14 Ų1465.8 Ų65.814%0.14438%0.377CS..  trans69.635.4179.800000113.7G222 T240 T241 S244G222-G224 PolarHBondContact O-N 2.92Å; G224-T240 CarbonylContact O-C 3.55Å; G224-T240 WeakPolarHBondContact O-CA 3.39Å; G224-T241 PolarHBondContact O-N 3.02Å; G224-S244 PolarHBondContact O-OG 3.18Å
225M91.7Very high83.7Confident28 Ų2865.8 Ų65.814%0.13838%0.376CS..EExtended strand (participates in β ladder)trans-106.7135.8169.3-60.1-175.4-67.400109.7L223 I227 I237 A246 I252 L278 L287L223-M225 HydrophobicContact CB-CE 4.12Å; L223-M225 HydrophobicContact CD1-CE 3.69Å; M225-I227 HydrophobicContact CB-CG1 4.32Å; M225-I227 HydrophobicContact CE-CD1 4.36Å; M225-I237 HydrophobicContact SD-CD1 4Å; M225-A246 HydrophobicContact CG-CB 3.37Å; M225-A246 HydrophobicContact SD-CB 4.26Å; M225-I252 HydrophobicContact SD-CD1 3.69Å; M225-I252 HydrophobicContact SD-CG2 4.32Å; M225-L278 HydrophobicContact CE-CD1 4.39Å; M225-L278 HydrophobicContact CE-CD2 4.16Å; M225-L287 HydrophobicContact CE-CD1 3.79Å; M225-L287 HydrophobicContact SD-CD1 3.66Å
226Y91.9Very high83.9Confident98 Ų9863.7 Ų63.738%0.38436%0.362SS..EExtended strand (participates in β ladder)trans-94.6119.7165.4-56.5-76.5000108I237 T238 G239 T241Y226-I237 CarbonylContact O-C 3.57Å; Y226-I237 WeakPolarHBondContact O-CA 3.23Å; Y226-T238 VanDerWaalsContact CB-OG1 3.31Å; Y226-T238 WeakPolarHBondContact CB-OG1 3.48Å; Y226-T238 PolarHBondContact O-N 3.29Å; Y226-T238 PolarHBondContact O-OG1 3.11Å; Y226-G239 PolarHBondContact N-O 3.12Å; Y226-T241 WeakPolarHBondContact CE2-OG1 3.34Å; Y226-T241 PolarHBondContact OH-OG1 3.21Å
227I93.7Very high84.6Confident32 Ų3257.4 Ų57.416%0.16433%0.329CS..EExtended strand (participates in β ladder)trans-117128.8180-57.5176.2000108.1M225 H235 V236 I237 V258 L271 L274 L278M225-I227 HydrophobicContact CB-CG1 4.32Å; M225-I227 HydrophobicContact CE-CD1 4.36Å; I227-H235 HydrophobicContact CG2-CB 4.02Å; I227-V236 WeakPolarHBondContact CA-O 3.46Å; I227-I237 HydrophobicContact CG1-CG1 4.37Å; I227-V258 HydrophobicContact CD1-CG2 4.46Å; I227-L271 HydrophobicContact CB-CD1 4.29Å; I227-L271 HydrophobicContact CG2-CD1 3.82Å; I227-L274 HydrophobicContact CD1-CD2 4.36Å; I227-L274 HydrophobicContact CG2-CD2 4.29Å; I227-L278 HydrophobicContact CD1-CD1 3.76Å
228K91.6Very high85Confident144 Ų14459.3 Ų59.363%0.62634%0.341SS*.EExtended strand (participates in β ladder)trans-114.5130.1169.5179.1-179.3176.2-172.20108.6V236 T238K228-V236 PolarHBondContact N-O 3.34Å; K228-V236 PolarHBondContact O-N 3.23Å; K228-T238 HydrophobicContact CB-CG2 3.78Å
229S90.2Very high85.5Confident32 Ų3253 Ų5322%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-80140.6166.1-50.60000110.5L234 H235 L271S229-L234 CarbonylContact C-O 3.57Å; S229-L234 VanDerWaalsContact CA-O 3.25Å; S229-L234 WeakPolarHBondContact CA-O 3.38Å; S229-H235 PolarHBondContact OG-CE1 2.84Å; S229-H235 PolarHBondContact OG-ND1 3.06Å; S229-L271 WeakPolarHBondContact OG-CB 3.46Å
230T84.4Confident86.4Confident52 Ų5248.9 Ų48.932%0.31929%0.289SS..  trans-72.5171.7163.464.30000110D232 L234 V236T230-D232 VanDerWaalsContact C-N 3.33Å; T230-D232 PolarHBondContact OG1-N 2.99Å; T230-L234 HydrophobicContact CG2-CB 4.18Å; T230-L234 PolarHBondContact N-O 3.16Å; T230-L234 WeakPolarHBondContact OG1-CB 3.01Å; T230-L234 PolarHBondContact OG1-N 2.65Å; T230-L234 PolarHBondContact OG1-O 3.09Å; T230-V236 HydrophobicContact CG2-CG2 4.35Å
231Y74.9Confident87.3Confident132 Ų13247.2 Ų47.252%0.51826%0.261SS..THydrogen-bonded Turntrans-62.9-44.9167.9179.9-107.8000110.2G233 R549 L552Y231-G233 PolarHBondContact O-N 3.49Å; Y231-R549 HydrophobicContact CE1-CB 4.1Å; Y231-R549 HydrophobicContact CE1-CG 3.82Å; Y231-R549 PolarHBondContact OH-NH1 2.96Å; Y231-L552 HydrophobicContact CE2-CD1 4.36Å
232D71.2Confident87.6Confident60 Ų6049.2 Ų49.232%0.32127%0.271SS..THydrogen-bonded Turntrans-77.141.4178-27.6-85.4000112.9L68 T230 L234L68-D232 VanDerWaalsContact CD1-O 3.27Å; L68-D232 WeakPolarHBondContact CD1-O 3.34Å; L68-D232 WeakPolarHBondContact CD2-O 3.3Å; T230-D232 VanDerWaalsContact C-N 3.33Å; T230-D232 PolarHBondContact OG1-N 2.99Å; D232-L234 PolarHBondContact O-N 3.07Å
233G81.5Confident87.7Confident18 Ų1852.4 Ų52.419%0.18628%0.275CS..SBendtrans62.63.9167.400000119.4Y231Y231-G233 PolarHBondContact O-N 3.49Å
234L87.5Confident87.8Confident47 Ų4751.8 Ų51.825%0.24627%0.272CS..  trans-85.4138.1179.3-65.5173.9000111.6L68 S229 T230 D232L68-L234 HydrophobicContact CD2-CD2 3.93Å; L68-L234 HydrophobicContact CD2-CG 4.04Å; S229-L234 CarbonylContact C-O 3.57Å; S229-L234 VanDerWaalsContact CA-O 3.25Å; S229-L234 WeakPolarHBondContact CA-O 3.38Å; T230-L234 HydrophobicContact CG2-CB 4.18Å; T230-L234 PolarHBondContact N-O 3.16Å; T230-L234 WeakPolarHBondContact OG1-CB 3.01Å; T230-L234 PolarHBondContact OG1-N 2.65Å; T230-L234 PolarHBondContact OG1-O 3.09Å; D232-L234 PolarHBondContact O-N 3.07Å
235H92.9Very high87.8Confident4 Ų451.4 Ų51.42%0.01927%0.267CS..EExtended strand (participates in β ladder)trans-101.8110.1178.2-61-67.8000110.9I227 S229 E257 V258 W269 L274I227-H235 HydrophobicContact CG2-CB 4.02Å; S229-H235 PolarHBondContact OG-CE1 2.84Å; S229-H235 PolarHBondContact OG-ND1 3.06Å; H235-E257 WeakPolarHBondContact O-CA 3.39Å; H235-V258 HydrophobicContact CB-CB 4.17Å; H235-V258 HydrophobicContact CB-CG2 4.44Å; H235-V258 PolarHBondContact O-N 2.82Å; H235-W269 PolarHBondContact CE1-O 3.31Å; H235-W269 PolarHBondContact NE2-O 3.27Å; H235-L274 HydrophobicContact CB-CD2 3.64Å
236V90.9Very high87.7Confident35 Ų3550 Ų5021%0.21226%0.261CS..EExtended strand (participates in β ladder)trans-109.6130.3-177-175.20000110.2I227 K228 T230 T238 E257I227-V236 WeakPolarHBondContact CA-O 3.46Å; K228-V236 PolarHBondContact N-O 3.34Å; K228-V236 PolarHBondContact O-N 3.23Å; T230-V236 HydrophobicContact CG2-CG2 4.35Å; V236-T238 PolarHBondContact O-N 2.91Å; V236-E257 HydrophobicContact CG2-CG 4.27Å
237I92Very high87.6Confident0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-75.4122.5173.1-57.9-179.5000108.4M225 Y226 I227 I252 A254 G255 D256 V258 L289M225-I237 HydrophobicContact SD-CD1 4Å; Y226-I237 CarbonylContact O-C 3.57Å; Y226-I237 WeakPolarHBondContact O-CA 3.23Å; I227-I237 HydrophobicContact CG1-CG1 4.37Å; I237-I252 HydrophobicContact CD1-CG2 3.53Å; I237-I252 HydrophobicContact CG2-CG2 3.96Å; I237-A254 CarbonylContact O-C 3.6Å; I237-A254 WeakPolarHBondContact O-CA 3.44Å; I237-G255 PolarHBondContact O-N 3.24Å; I237-D256 HydrophobicContact CD1-CB 4.34Å; I237-D256 PolarHBondContact N-O 2.89Å; I237-V258 HydrophobicContact CD1-CG2 3.97Å; I237-V258 HydrophobicContact CG1-CG2 3.76Å; I237-L289 HydrophobicContact CD1-CD1 4Å; I237-L289 HydrophobicContact CD1-CD2 3.91Å
238T89.1Confident87.4Confident63 Ų6351.5 Ų51.539%0.38727%0.266SS..EExtended strand (participates in β ladder)trans-97.2-14.1-179.356.10000113.3Y226 K228 V236 A254 L304Y226-T238 VanDerWaalsContact CB-OG1 3.31Å; Y226-T238 WeakPolarHBondContact CB-OG1 3.48Å; Y226-T238 PolarHBondContact O-N 3.29Å; Y226-T238 PolarHBondContact O-OG1 3.11Å; K228-T238 HydrophobicContact CB-CG2 3.78Å; V236-T238 PolarHBondContact O-N 2.91Å; T238-A254 WeakPolarHBondContact O-CB 3.44Å; T238-L304 WeakPolarHBondContact O-CD1 3.05Å
239G87.1Confident87.2Confident9 Ų946 Ų469%0.09325%0.245CC..EExtended strand (participates in β ladder)trans169-179.5172.800000113.1Y226Y226-G239 PolarHBondContact N-O 3.12Å
240T90.9Very high87Confident42 Ų4250.4 Ų50.426%0.25826%0.263SS..EExtended strand (participates in β ladder)trans-119.6155.6175.651.20000111.7G224 A246 I252G224-T240 CarbonylContact O-C 3.55Å; G224-T240 WeakPolarHBondContact O-CA 3.39Å; T240-A246 HydrophobicContact CG2-CB 3.86Å; T240-I252 HydrophobicContact CG2-CB 4.34Å; T240-I252 HydrophobicContact CG2-CG2 4.09Å
241T89.8Confident87.1Confident54 Ų5452.2 Ų52.233%0.33127%0.266SS..  trans-87.9134.1170.2-48.90000109.7G224 Y226 N243 S244 D247G224-T241 PolarHBondContact O-N 3.02Å; Y226-T241 WeakPolarHBondContact CE2-OG1 3.34Å; Y226-T241 PolarHBondContact OH-OG1 3.21Å; T241-N243 PolarHBondContact O-N 3.02Å; T241-S244 WeakPolarHBondContact O-CB 3.24Å; T241-S244 PolarHBondContact O-N 3.21Å; T241-S244 PolarHBondContact O-OG 3.3Å; T241-D247 WeakPolarHBondContact O-CB 3.48Å
242E88Confident87.8Confident92 Ų9246.3 Ų46.343%0.4324%0.243SC..THydrogen-bonded Turntrans-52.5138.3-179.5-58.9-170.1130.100112.9S244 D247 K305E242-S244 PolarHBondContact O-N 3.44Å; E242-D247 WeakPolarHBondContact CA-OD2 3.23Å; E242-K305 HydrophobicContact CG-CG 4.37Å; E242-K305 WeakPolarHBondContact OE1-CD 3.19Å; E242-K305 WeakPolarHBondContact OE1-CE 3.16Å; E242-K305 VanDerWaalsContact OE1-CG 3.25Å; E242-K305 WeakPolarHBondContact OE1-CG 3.39Å; E242-K305 IonicContact OE1-NZ 3.9Å; E242-K305 PolarHBondContact OE1-NZ 3.01Å
243N85.2Confident88.5Confident121 Ų12146.7 Ų46.765%0.64724%0.243SC*.THydrogen-bonded Turntrans60.56.6179.8-55-77.6000115.6T241 D247 R248T241-N243 PolarHBondContact O-N 3.02Å; N243-D247 PolarHBondContact N-OD2 3.31Å; N243-R248 WeakPolarHBondContact O-CD 3.36Å; N243-R248 PolarHBondContact O-NH1 2.99Å
244S89.6Confident88.7Confident10 Ų1047.6 Ų47.67%0.0725%0.249CC..SBendtrans-72.1167.9176.968.80000113.3G224 T241 E242 A246 D247 R248G224-S244 PolarHBondContact O-OG 3.18Å; T241-S244 WeakPolarHBondContact O-CB 3.24Å; T241-S244 PolarHBondContact O-N 3.21Å; T241-S244 PolarHBondContact O-OG 3.3Å; E242-S244 PolarHBondContact O-N 3.44Å; S244-A246 VanDerWaalsContact C-N 3.27Å; S244-A246 PolarHBondContact O-N 2.89Å; S244-D247 PolarHBondContact O-N 3.36Å; S244-D247 PolarHBondContact OG-N 3.1Å; S244-R248 WeakPolarHBondContact O-CB 3.37Å; S244-R248 VanDerWaalsContact O-CG 3.23Å; S244-R248 WeakPolarHBondContact O-CG 3.42Å; S244-R248 PolarHBondContact O-N 3.49Å
245P89.8Confident88.4Confident6 Ų646.5 Ų46.54%0.03925%0.248CC..Hα-helixtrans-52.1-43.1174.8-25.533.5000113.3E221 G222 S249E221-P245 HydrophobicContact CG-CG 4.23Å; E221-P245 WeakPolarHBondContact OE1-CD 3.33Å; G222-P245 WeakPolarHBondContact O-CD 3.49Å; P245-S249 PolarHBondContact O-N 3.08Å
246A90.2Very high88.1Confident0 Ų046.4 Ų46.40%025%0.248CC..Hα-helixtrans-66.8-43.117800000113L214 L223 M225 T240 S244 S249 I252L214-A246 HydrophobicContact CD1-CB 4.47Å; L223-A246 WeakPolarHBondContact O-CB 3.48Å; L223-A246 PolarHBondContact O-N 3.35Å; M225-A246 HydrophobicContact CG-CB 3.37Å; M225-A246 HydrophobicContact SD-CB 4.26Å; T240-A246 HydrophobicContact CG2-CB 3.86Å; S244-A246 VanDerWaalsContact C-N 3.27Å; S244-A246 PolarHBondContact O-N 2.89Å; A246-S249 WeakPolarHBondContact O-CB 3.47Å; A246-S249 PolarHBondContact O-N 3.4Å; A246-S249 PolarHBondContact O-OG 2.83Å; A246-I252 HydrophobicContact CB-CD1 3.96Å
247D89.1Confident88.1Confident35 Ų3545.4 Ų45.419%0.18724%0.241CC..Hα-helixtrans-67.1-44.2177.4-172.950.4000111.6T241 E242 N243 S244 S249 Q250T241-D247 WeakPolarHBondContact O-CB 3.48Å; E242-D247 WeakPolarHBondContact CA-OD2 3.23Å; N243-D247 PolarHBondContact N-OD2 3.31Å; S244-D247 PolarHBondContact O-N 3.36Å; S244-D247 PolarHBondContact OG-N 3.1Å; D247-S249 PolarHBondContact O-N 3.45Å; D247-Q250 PolarHBondContact O-N 2.97Å; D247-Q250 PolarHBondContact O-NE2 2.82Å
248R88.8Confident88.2Confident126 Ų12645.6 Ų45.648%0.47524%0.242SC..Hα-helixtrans-59.1-19.7174.9-68.4-174.7-50.6-115.713.3113.5E221 N243 S244E221-R248 IonicContact OE1-CZ 3.51Å; E221-R248 VanDerWaalsContact OE1-CZ 3.26Å; E221-R248 IonicContact OE1-NH1 2.74Å; E221-R248 PolarHBondContact OE1-NH1 2.79Å; E221-R248 IonicContact OE1-NH2 2.68Å; E221-R248 PolarHBondContact OE1-NH2 2.76Å; E221-R248 IonicContact OE2-NH2 2.84Å; N243-R248 WeakPolarHBondContact O-CD 3.36Å; N243-R248 PolarHBondContact O-NH1 2.99Å; S244-R248 WeakPolarHBondContact O-CB 3.37Å; S244-R248 VanDerWaalsContact O-CG 3.23Å; S244-R248 WeakPolarHBondContact O-CG 3.42Å; S244-R248 PolarHBondContact O-N 3.49Å
249S87.3Confident88.5Confident27 Ų2742.7 Ų42.719%0.18923%0.225CC..THydrogen-bonded Turntrans-72.6-26.4174.281.70000113.8P245 A246 D247 K251P245-S249 PolarHBondContact O-N 3.08Å; A246-S249 WeakPolarHBondContact O-CB 3.47Å; A246-S249 PolarHBondContact O-N 3.4Å; A246-S249 PolarHBondContact O-OG 2.83Å; D247-S249 PolarHBondContact O-N 3.45Å; S249-K251 PolarHBondContact O-N 3.41Å; S249-K251 PolarHBondContact OG-N 3.41Å
250Q86.4Confident88.8Confident126 Ų12643.2 Ų43.259%0.58923%0.225SC*.SBendtrans49.612.6-169.8-64.8-68.9-77.600115.6D247 H253D247-Q250 PolarHBondContact O-N 2.97Å; D247-Q250 PolarHBondContact O-NE2 2.82Å; Q250-H253 PolarHBondContact O-CE1 2.79Å
251K87.5Confident89Confident89 Ų8941.2 Ų41.239%0.38721%0.212SC..  trans-101.6-28.8179.2-74.9164.9163.6-103.70112.6E210 V212 S249 H253 K291E210-K251 WeakPolarHBondContact OE1-CD 3.42Å; E210-K251 WeakPolarHBondContact OE1-CE 3.49Å; E210-K251 WeakPolarHBondContact OE1-CG 3.28Å; E210-K251 IonicContact OE1-NZ 3.99Å; E210-K251 PolarHBondContact OE1-NZ 2.97Å; V212-K251 HydrophobicContact CB-CB 4.5Å; V212-K251 HydrophobicContact CG1-CB 3.89Å; V212-K251 HydrophobicContact CG1-CD 4.09Å; V212-K251 HydrophobicContact CG2-CB 3.78Å; V212-K251 HydrophobicContact CG2-CD 4.33Å; S249-K251 PolarHBondContact O-N 3.41Å; S249-K251 PolarHBondContact OG-N 3.41Å; K251-H253 PolarHBondContact O-CE1 2.7Å; K251-H253 PolarHBondContact O-ND1 2.88Å; K251-K291 PolarHBondContact O-NZ 3.47Å
252I89.9Confident89.1Confident9 Ų940.1 Ų40.15%0.04620%0.204CC..  trans-86.1122.8-174.3-57.7-170.3000110.3V212 L214 M225 I237 T240 A246 L287 L289V212-I252 HydrophobicContact CB-CG1 4.44Å; V212-I252 HydrophobicContact CG1-CD1 4.05Å; V212-I252 HydrophobicContact CG1-CG1 3.83Å; V212-I252 HydrophobicContact CG2-CG1 4.43Å; L214-I252 HydrophobicContact CD1-CD1 3.95Å; L214-I252 HydrophobicContact CD2-CD1 4Å; L214-I252 HydrophobicContact CG-CD1 4.38Å; M225-I252 HydrophobicContact SD-CD1 3.69Å; M225-I252 HydrophobicContact SD-CG2 4.32Å; I237-I252 HydrophobicContact CD1-CG2 3.53Å; I237-I252 HydrophobicContact CG2-CG2 3.96Å; T240-I252 HydrophobicContact CG2-CB 4.34Å; T240-I252 HydrophobicContact CG2-CG2 4.09Å; A246-I252 HydrophobicContact CB-CD1 3.96Å; I252-L287 HydrophobicContact CD1-CD1 3.73Å; I252-L289 HydrophobicContact CB-CD1 4.46Å; I252-L289 HydrophobicContact CD1-CD1 4.31Å; I252-L289 HydrophobicContact CG1-CD1 3.89Å; I252-L289 HydrophobicContact CG2-CD1 4.3Å
253H85.8Confident89.2Confident68 Ų6843.3 Ų43.332%0.31522%0.219SC..  trans-123.7154.6-175.6-67.786.7000112.3Q250 K251 G255 D256Q250-H253 PolarHBondContact O-CE1 2.79Å; K251-H253 PolarHBondContact O-CE1 2.7Å; K251-H253 PolarHBondContact O-ND1 2.88Å; H253-G255 PolarHBondContact O-N 2.86Å; H253-D256 PolarHBondContact N-OD2 3.22Å; H253-D256 WeakPolarHBondContact O-CB 3.47Å; H253-D256 VanDerWaalsContact O-CG 3.32Å; H253-D256 PolarHBondContact O-N 3.05Å
254A85.2Confident89.6Confident37 Ų3738.9 Ų38.931%0.30620%0.195SC..THydrogen-bonded Turntrans-60.4134.8168.600000110.1I237 T238 R292I237-A254 CarbonylContact O-C 3.6Å; I237-A254 WeakPolarHBondContact O-CA 3.44Å; T238-A254 WeakPolarHBondContact O-CB 3.44Å; A254-R292 VanDerWaalsContact O-CZ 3.3Å; A254-R292 PolarHBondContact O-NE 2.83Å; A254-R292 PolarHBondContact O-NH2 2.96Å
255G80.8Confident89.8Confident23 Ų2338.6 Ų38.624%0.23719%0.193CC..THydrogen-bonded Turntrans85.75.5-174.800000115.5I237 H253 R292I237-G255 PolarHBondContact O-N 3.24Å; H253-G255 PolarHBondContact O-N 2.86Å; G255-R292 WeakPolarHBondContact O-CD 3.37Å; G255-R292 VanDerWaalsContact O-CG 3.23Å; G255-R292 WeakPolarHBondContact O-CG 3.36Å
256D87.6Confident90.1Very high3 Ų338.3 Ų38.32%0.01619%0.191CC..  trans-74.1137.6169.6-72-12000110.9I237 H253 L289 K291I237-D256 HydrophobicContact CD1-CB 4.34Å; I237-D256 PolarHBondContact N-O 2.89Å; H253-D256 PolarHBondContact N-OD2 3.22Å; H253-D256 WeakPolarHBondContact O-CB 3.47Å; H253-D256 VanDerWaalsContact O-CG 3.32Å; H253-D256 PolarHBondContact O-N 3.05Å; D256-L289 HydrophobicContact CB-CB 4.5Å; D256-L289 HydrophobicContact CB-CD1 4.32Å; D256-K291 IonicContact OD1-NZ 3.74Å; D256-K291 IonicContact OD2-NZ 2.68Å; D256-K291 PolarHBondContact OD2-NZ 3.32Å
257E90.9Very high90.2Very high13 Ų1338.6 Ų38.66%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-94.8128.3177.3-77.3163.6-138.200110.6R140 H235 V236 I259 L289 K290R140-E257 IonicContact CZ-OE1 3.83Å; R140-E257 IonicContact NE-OE1 3.97Å; R140-E257 PolarHBondContact NE-OE1 3.39Å; R140-E257 IonicContact NH2-OE1 2.93Å; R140-E257 PolarHBondContact NH2-OE1 2.92Å; R140-E257 IonicContact NH2-OE2 2.62Å; H235-E257 WeakPolarHBondContact O-CA 3.39Å; V236-E257 HydrophobicContact CG2-CG 4.27Å; E257-I259 HydrophobicContact CB-CD1 4.22Å; E257-I259 PolarHBondContact O-N 3.35Å; E257-L289 CarbonylContact O-C 3.59Å; E257-L289 WeakPolarHBondContact O-CA 3.29Å; E257-K290 HydrophobicContact CB-CB 4.06Å; E257-K290 PolarHBondContact N-O 3.41Å; E257-K290 PolarHBondContact O-N 3.32Å; E257-K290 IonicContact OE1-NZ 2.66Å; E257-K290 WeakPolarHBondContact OE2-CD 3.5Å; E257-K290 VanDerWaalsContact OE2-CE 3.28Å; E257-K290 WeakPolarHBondContact OE2-CE 3.3Å; E257-K290 IonicContact OE2-NZ 2.68Å; E257-K290 PolarHBondContact OE2-NZ 3.43Å
258V94.1Very high90.4Very high4 Ų437.5 Ų37.52%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-83.6114.2-179.5-170.70000110.5I227 H235 I237 V261 V266 L274 L289I227-V258 HydrophobicContact CD1-CG2 4.46Å; H235-V258 HydrophobicContact CB-CB 4.17Å; H235-V258 HydrophobicContact CB-CG2 4.44Å; H235-V258 PolarHBondContact O-N 2.82Å; I237-V258 HydrophobicContact CD1-CG2 3.97Å; I237-V258 HydrophobicContact CG1-CG2 3.76Å; V258-V261 HydrophobicContact CG1-CG2 4.09Å; V258-V266 HydrophobicContact CG1-CG2 4.01Å; V258-L274 HydrophobicContact CG1-CD1 4.3Å; V258-L289 HydrophobicContact CB-CD2 4.23Å; V258-L289 HydrophobicContact CG1-CD2 4.24Å; V258-L289 HydrophobicContact CG2-CD2 3.93Å
259I93.9Very high90.7Very high3 Ų332.5 Ų32.52%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-103.2-46.5-174.6-53.9-49.4000112.3L72 L209 E257 T265 V266 V267 L288 K290L72-I259 HydrophobicContact CD1-CD1 3.95Å; L72-I259 HydrophobicContact CD1-CG1 4.22Å; L72-I259 HydrophobicContact CD1-CG2 3.67Å; L72-I259 HydrophobicContact CD2-CG2 3.64Å; L72-I259 HydrophobicContact CG-CG2 4.29Å; L209-I259 HydrophobicContact CD2-CG1 4.16Å; E257-I259 HydrophobicContact CB-CD1 4.22Å; E257-I259 PolarHBondContact O-N 3.35Å; I259-T265 WeakPolarHBondContact O-CA 3.47Å; I259-V266 WeakPolarHBondContact O-CG2 3.47Å; I259-V266 PolarHBondContact O-N 3.24Å; I259-V267 HydrophobicContact CB-CG2 4.48Å; I259-V267 HydrophobicContact CD1-CG2 3.93Å; I259-V267 HydrophobicContact CG2-CG2 4.13Å; I259-L288 WeakPolarHBondContact CB-O 3.28Å; I259-L288 PolarHBondContact N-O 3.39Å; I259-K290 HydrophobicContact CD1-CB 3.78Å; I259-K290 HydrophobicContact CD1-CD 4.24Å; I259-K290 HydrophobicContact CG1-CB 3.55Å
260Q94.5Very high91Very high20 Ų2034 Ų349%0.09317%0.174CC..EExtended strand (participates in β ladder)trans-134.2150.1177.4-48.4-164.6-69.200112.1Q263 Q264 T265 L287 L288Q260-Q263 PolarHBondContact NE2-O 2.83Å; Q260-Q264 CarbonylContact C-O 3.58Å; Q260-Q264 WeakPolarHBondContact CA-O 3.28Å; Q260-Q264 WeakPolarHBondContact CB-O 3.39Å; Q260-T265 PolarHBondContact NE2-OG1 2.98Å; Q260-L287 WeakPolarHBondContact O-CA 3.44Å; Q260-L288 HydrophobicContact CB-CB 3.76Å; Q260-L288 HydrophobicContact CG-CB 4.02Å; Q260-L288 HydrophobicContact CG-CD2 4.02Å; Q260-L288 PolarHBondContact N-O 3.07Å; Q260-L288 VanDerWaalsContact N-O 3.16Å; Q260-L288 PolarHBondContact O-N 3.26Å
261V94.6Very high91.3Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-130.6119171.8177.90000108.3V258 Q263 Q264 V266 L274 K277 L278 V285 L287V258-V261 HydrophobicContact CG1-CG2 4.09Å; V261-Q263 VanDerWaalsContact C-N 3.32Å; V261-Q263 PolarHBondContact O-N 3.16Å; V261-Q264 PolarHBondContact N-O 3.48Å; V261-Q264 WeakPolarHBondContact O-CB 3.12Å; V261-Q264 PolarHBondContact O-N 3.3Å; V261-Q264 VanDerWaalsContact O-N 3.1Å; V261-V266 HydrophobicContact CB-CG1 4.15Å; V261-V266 HydrophobicContact CG2-CG1 4.1Å; V261-V266 HydrophobicContact CG2-CG2 4.15Å; V261-L274 HydrophobicContact CG2-CD1 3.56Å; V261-K277 HydrophobicContact CB-CG 4Å; V261-K277 HydrophobicContact CG1-CB 4.31Å; V261-K277 HydrophobicContact CG1-CG 3.84Å; V261-L278 HydrophobicContact CB-CD2 4.45Å; V261-L278 HydrophobicContact CG1-CD2 3.74Å; V261-L278 HydrophobicContact CG1-CG 4.26Å; V261-L278 HydrophobicContact CG2-CD2 3.77Å; V261-L278 HydrophobicContact CG2-CG 4.27Å; V261-V285 HydrophobicContact CG1-CG1 4.05Å; V261-L287 HydrophobicContact CG1-CD2 4.4Å; V261-L287 HydrophobicContact CG2-CD2 3.86Å
262N91.6Very high91.6Very high30 Ų3031 Ų3116%0.1616%0.162CC..THydrogen-bonded Turntrans50.152.7-178-58.3-34.7000111.4Q264 N281 V285 V286N262-Q264 PolarHBondContact O-N 3.03Å; N262-N281 PolarHBondContact ND2-ND2 3.46Å; N262-N281 VanDerWaalsContact ND2-ND2 3.11Å; N262-V285 WeakPolarHBondContact OD1-CA 3.47Å; N262-V286 PolarHBondContact N-O 2.87Å; N262-V286 PolarHBondContact OD1-N 3.14Å
263Q90Very high91.8Very high159 Ų15931.7 Ų31.774%0.74317%0.166SC*.THydrogen-bonded Turntrans64-11.1-176.6-61.314038.600116.5Q260 V261Q260-Q263 PolarHBondContact NE2-O 2.83Å; V261-Q263 VanDerWaalsContact C-N 3.32Å; V261-Q263 PolarHBondContact O-N 3.16Å
264Q93.9Very high92.2Very high29 Ų2928.4 Ų28.414%0.13615%0.151CC..EExtended strand (participates in β ladder)trans-75.9128.3170.9178.157.750.400110.7Q260 V261 N262 V266 W269 K277Q260-Q264 CarbonylContact C-O 3.58Å; Q260-Q264 WeakPolarHBondContact CA-O 3.28Å; Q260-Q264 WeakPolarHBondContact CB-O 3.39Å; V261-Q264 PolarHBondContact N-O 3.48Å; V261-Q264 WeakPolarHBondContact O-CB 3.12Å; V261-Q264 PolarHBondContact O-N 3.3Å; V261-Q264 VanDerWaalsContact O-N 3.1Å; N262-Q264 PolarHBondContact O-N 3.03Å; Q264-V266 HydrophobicContact CG-CG1 4.5Å; Q264-W269 HydrophobicContact CG-CH2 3.54Å; Q264-W269 HydrophobicContact CG-CZ2 3.55Å; Q264-W269 HydrophobicContact CG-CZ3 4.47Å; Q264-K277 HydrophobicContact CB-CD 4.46Å; Q264-K277 HydrophobicContact CG-CD 4.47Å
265T94.5Very high92.6Very high4 Ų428.9 Ų28.93%0.02515%0.15CC..EExtended strand (participates in β ladder)trans-72.2131.6170.2-50.60000110.5W7 L69 L72 I259 Q260 V267 W269W7-T265 HydrophobicContact CH2-CG2 3.71Å; W7-T265 HydrophobicContact CZ2-CG2 3.86Å; W7-T265 WeakPolarHBondContact CZ2-OG1 3.45Å; L69-T265 HydrophobicContact CD2-CG2 4.04Å; L72-T265 HydrophobicContact CD2-CG2 4.26Å; I259-T265 WeakPolarHBondContact O-CA 3.47Å; Q260-T265 PolarHBondContact NE2-OG1 2.98Å; T265-V267 HydrophobicContact CG2-CB 4.34Å; T265-V267 HydrophobicContact CG2-CG2 4.37Å; T265-W269 PolarHBondContact O-NE1 2.87Å
266V94.8Very high93.1Very high0 Ų034.1 Ų34.10%017%0.166CC..  trans-120.59-173.5-62.80000113.6V258 I259 V261 Q264 W269 L274V258-V266 HydrophobicContact CG1-CG2 4.01Å; I259-V266 WeakPolarHBondContact O-CG2 3.47Å; I259-V266 PolarHBondContact O-N 3.24Å; V261-V266 HydrophobicContact CB-CG1 4.15Å; V261-V266 HydrophobicContact CG2-CG1 4.1Å; V261-V266 HydrophobicContact CG2-CG2 4.15Å; Q264-V266 HydrophobicContact CG-CG1 4.5Å; V266-W269 HydrophobicContact CB-CD2 4.03Å; V266-W269 HydrophobicContact CB-CE3 4.17Å; V266-W269 HydrophobicContact CB-CG 4.18Å; V266-W269 HydrophobicContact CG1-CD2 3.97Å; V266-W269 HydrophobicContact CG1-CE3 3.75Å; V266-W269 HydrophobicContact CG1-CZ3 4.06Å; V266-W269 VanDerWaalsContact O-CB 3.25Å; V266-W269 WeakPolarHBondContact O-CB 2.88Å; V266-W269 PolarHBondContact O-N 3.4Å; V266-L274 HydrophobicContact CB-CD1 4.07Å; V266-L274 HydrophobicContact CG1-CD1 4.13Å; V266-L274 HydrophobicContact CG2-CD1 3.88Å
267V93.7Very high93.4Very high5 Ų535.9 Ų35.93%0.0317%0.174CC..THydrogen-bonded Turntrans-66.1134.4174.21750000109.6W15 L68 L69 L72 I259 T265 W269W15-V267 PolarHBondContact NE1-O 2.96Å; L68-V267 HydrophobicContact CB-CG1 3.5Å; L68-V267 VanDerWaalsContact CB-CG1 3.5Å; L69-V267 HydrophobicContact CD2-CB 4.15Å; L69-V267 HydrophobicContact CD2-CG1 4.37Å; L72-V267 HydrophobicContact CD2-CG2 4.07Å; I259-V267 HydrophobicContact CB-CG2 4.48Å; I259-V267 HydrophobicContact CD1-CG2 3.93Å; I259-V267 HydrophobicContact CG2-CG2 4.13Å; T265-V267 HydrophobicContact CG2-CB 4.34Å; T265-V267 HydrophobicContact CG2-CG2 4.37Å; V267-W269 PolarHBondContact O-N 2.92Å
268G92.6Very high93.4Very high13 Ų1336 Ų3613%0.13418%0.175CC..THydrogen-bonded Turntrans77.2-5.4-173.700000115.3L19L19-G268 VanDerWaalsContact CD2-O 3.3Å; L19-G268 WeakPolarHBondContact CD2-O 3.38Å
269W95.2Very high93.1Very high20 Ų2045.3 Ų45.38%0.07621%0.209CC..  trans-71157.8178.4-73.820.5000112.4D14 W15 G18 H235 Q264 T265 V266 V267 N273 K277D14-W269 WeakPolarHBondContact O-CZ2 3.39Å; W15-W269 AromaticContact CD1-CD1 3.77Å; W15-W269 AromaticContact CD1-NE1 3.25Å; W15-W269 AromaticContact CG-NE1 3.84Å; W15-W269 AromaticContact NE1-CD1 3.81Å; W15-W269 AromaticContact NE1-NE1 3.76Å; W15-W269 PolarHBondContact O-NE1 3.38Å; G18-W269 WeakPolarHBondContact O-CA 3.31Å; G18-W269 WeakPolarHBondContact O-CB 3.4Å; H235-W269 PolarHBondContact CE1-O 3.31Å; H235-W269 PolarHBondContact NE2-O 3.27Å; Q264-W269 HydrophobicContact CG-CH2 3.54Å; Q264-W269 HydrophobicContact CG-CZ2 3.55Å; Q264-W269 HydrophobicContact CG-CZ3 4.47Å; T265-W269 PolarHBondContact O-NE1 2.87Å; V266-W269 HydrophobicContact CB-CD2 4.03Å; V266-W269 HydrophobicContact CB-CE3 4.17Å; V266-W269 HydrophobicContact CB-CG 4.18Å; V266-W269 HydrophobicContact CG1-CD2 3.97Å; V266-W269 HydrophobicContact CG1-CE3 3.75Å; V266-W269 HydrophobicContact CG1-CZ3 4.06Å; V266-W269 VanDerWaalsContact O-CB 3.25Å; V266-W269 WeakPolarHBondContact O-CB 2.88Å; V266-W269 PolarHBondContact O-N 3.4Å; V267-W269 PolarHBondContact O-N 2.92Å; W269-N273 HydrophobicContact CE3-CB 4.14Å; W269-K277 HydrophobicContact CH2-CD 4.2Å; W269-K277 HydrophobicContact CZ3-CB 4.08Å; W269-K277 HydrophobicContact CZ3-CD 4.12Å; W269-K277 HydrophobicContact CZ3-CG 4.23Å
270Q93.5Very high92.8Very high58 Ų5849.5 Ų49.527%0.27123%0.229SC..  trans-75.1145.4168.5-67.5-159.9-3000112.1G18 D20 K272 N273 L274G18-Q270 PolarHBondContact O-N 2.77Å; G18-Q270 VanDerWaalsContact O-N 3.11Å; D20-Q270 PolarHBondContact OD2-NE2 2.74Å; Q270-K272 HydrophobicContact CB-CG 4.3Å; Q270-K272 PolarHBondContact O-N 3.39Å; Q270-K272 VanDerWaalsContact O-N 3.13Å; Q270-K272 VanDerWaalsContact OE1-CE 3.25Å; Q270-N273 WeakPolarHBondContact O-CA 3.43Å; Q270-N273 WeakPolarHBondContact O-CB 3.49Å; Q270-N273 PolarHBondContact O-N 2.92Å; Q270-L274 PolarHBondContact O-N 2.75Å
271L93.1Very high92Very high63 Ų6351.9 Ų51.933%0.3324%0.242SC..Hα-helixtrans-54.1-37.9-177.7-172.954.9000113.1I227 S229 N273 L274 V275I227-L271 HydrophobicContact CB-CD1 4.29Å; I227-L271 HydrophobicContact CG2-CD1 3.82Å; S229-L271 WeakPolarHBondContact OG-CB 3.46Å; L271-N273 VanDerWaalsContact C-N 3.3Å; L271-N273 PolarHBondContact O-N 3.02Å; L271-L274 HydrophobicContact CD1-CD2 4.34Å; L271-L274 PolarHBondContact O-N 2.92Å; L271-V275 HydrophobicContact CD1-CG2 4.21Å; L271-V275 HydrophobicContact CG-CG2 4.41Å; L271-V275 WeakPolarHBondContact O-CB 3.4Å; L271-V275 VanDerWaalsContact O-CG2 3.26Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 2.81Å
272K93.5Very high90.9Very high89 Ų8956 Ų5639%0.38727%0.269SS..Hα-helixtrans-62.2-36.4176.677.5-165-171.7-157.50112.3D21 Q270 K276D21-K272 VanDerWaalsContact OD1-CE 3.24Å; D21-K272 WeakPolarHBondContact OD1-CE 3.25Å; D21-K272 IonicContact OD1-NZ 3.58Å; D21-K272 PolarHBondContact OD1-NZ 3Å; D21-K272 IonicContact OD2-NZ 3.22Å; D21-K272 PolarHBondContact OD2-NZ 2.63Å; Q270-K272 HydrophobicContact CB-CG 4.3Å; Q270-K272 PolarHBondContact O-N 3.39Å; Q270-K272 VanDerWaalsContact O-N 3.13Å; Q270-K272 VanDerWaalsContact OE1-CE 3.25Å; K272-K276 WeakPolarHBondContact O-CB 3.31Å; K272-K276 PolarHBondContact O-N 3.5Å
273N94.2Very high90Very high24 Ų2460.1 Ų60.113%0.12830%0.295CS..Hα-helixtrans-79-37.5-178.9-67.5-19.8000110.6G18 L19 W269 Q270 L271 K276 K277G18-N273 WeakPolarHBondContact O-CB 3.49Å; G18-N273 PolarHBondContact O-ND2 3.2Å; L19-N273 PolarHBondContact O-ND2 3.48Å; W269-N273 HydrophobicContact CE3-CB 4.14Å; Q270-N273 WeakPolarHBondContact O-CA 3.43Å; Q270-N273 WeakPolarHBondContact O-CB 3.49Å; Q270-N273 PolarHBondContact O-N 2.92Å; L271-N273 VanDerWaalsContact C-N 3.3Å; L271-N273 PolarHBondContact O-N 3.02Å; N273-K276 WeakPolarHBondContact O-CB 3.25Å; N273-K276 PolarHBondContact O-N 2.96Å; N273-K277 WeakPolarHBondContact O-CB 3.27Å; N273-K277 PolarHBondContact O-N 2.96Å
274L94.4Very high89.7Confident0 Ų053.3 Ų53.30%027%0.268CS..Hα-helixtrans-58.3-50.8166.2173.256.3000111.5I227 H235 V258 V261 V266 Q270 L271 K276 K277 L278I227-L274 HydrophobicContact CD1-CD2 4.36Å; I227-L274 HydrophobicContact CG2-CD2 4.29Å; H235-L274 HydrophobicContact CB-CD2 3.64Å; V258-L274 HydrophobicContact CG1-CD1 4.3Å; V261-L274 HydrophobicContact CG2-CD1 3.56Å; V266-L274 HydrophobicContact CB-CD1 4.07Å; V266-L274 HydrophobicContact CG1-CD1 4.13Å; V266-L274 HydrophobicContact CG2-CD1 3.88Å; Q270-L274 PolarHBondContact O-N 2.75Å; L271-L274 HydrophobicContact CD1-CD2 4.34Å; L271-L274 PolarHBondContact O-N 2.92Å; L274-K276 VanDerWaalsContact C-N 3.27Å; L274-K276 PolarHBondContact O-N 2.99Å; L274-K277 WeakPolarHBondContact O-CB 3.29Å; L274-K277 PolarHBondContact O-N 2.99Å; L274-K277 VanDerWaalsContact O-N 3.13Å; L274-L278 HydrophobicContact CD1-CD1 4.02Å; L274-L278 HydrophobicContact CD1-CG 4.09Å; L274-L278 HydrophobicContact CG-CD1 4.02Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 3.46Å
275V92.8Very high89.6Confident47 Ų4752 Ų5229%0.28526%0.262SS..Hα-helixtrans-64.7-30.6179.1170.90000112.1L271 R279L271-V275 HydrophobicContact CD1-CG2 4.21Å; L271-V275 HydrophobicContact CG-CG2 4.41Å; L271-V275 WeakPolarHBondContact O-CB 3.4Å; L271-V275 VanDerWaalsContact O-CG2 3.26Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 2.81Å; V275-R279 WeakPolarHBondContact O-CD 3.43Å; V275-R279 VanDerWaalsContact O-CG 3.27Å; V275-R279 WeakPolarHBondContact O-CG 3.35Å
276K92.3Very high89.6Confident133 Ų13353.2 Ų53.258%0.57827%0.269SS*.Hα-helixtrans-65.1-51168.9-176.3-177.5175.4-173.60111K272 N273 L274 L278 R279 E280K272-K276 WeakPolarHBondContact O-CB 3.31Å; K272-K276 PolarHBondContact O-N 3.5Å; N273-K276 WeakPolarHBondContact O-CB 3.25Å; N273-K276 PolarHBondContact O-N 2.96Å; L274-K276 VanDerWaalsContact C-N 3.27Å; L274-K276 PolarHBondContact O-N 2.99Å; K276-L278 VanDerWaalsContact C-N 3.29Å; K276-L278 PolarHBondContact O-N 3.24Å; K276-R279 WeakPolarHBondContact O-CA 3.21Å; K276-R279 PolarHBondContact O-N 3.13Å; K276-E280 PolarHBondContact O-N 3.07Å
277K92.8Very high89.6Confident40 Ų4053.3 Ų53.317%0.17427%0.27CS..Hα-helixtrans-57.9-39.4178.7-162.375.1-163.9162.40112.7V261 Q264 W269 N273 L274 R279 E280V261-K277 HydrophobicContact CB-CG 4Å; V261-K277 HydrophobicContact CG1-CB 4.31Å; V261-K277 HydrophobicContact CG1-CG 3.84Å; Q264-K277 HydrophobicContact CB-CD 4.46Å; Q264-K277 HydrophobicContact CG-CD 4.47Å; W269-K277 HydrophobicContact CH2-CD 4.2Å; W269-K277 HydrophobicContact CZ3-CB 4.08Å; W269-K277 HydrophobicContact CZ3-CD 4.12Å; W269-K277 HydrophobicContact CZ3-CG 4.23Å; N273-K277 WeakPolarHBondContact O-CB 3.27Å; N273-K277 PolarHBondContact O-N 2.96Å; L274-K277 WeakPolarHBondContact O-CB 3.29Å; L274-K277 PolarHBondContact O-N 2.99Å; L274-K277 VanDerWaalsContact O-N 3.13Å; K277-R279 PolarHBondContact O-N 3.31Å; K277-E280 WeakPolarHBondContact CD-OE2 3.45Å; K277-E280 VanDerWaalsContact CE-OE2 3.3Å; K277-E280 WeakPolarHBondContact CE-OE2 3.49Å; K277-E280 IonicContact NZ-OE1 3.23Å; K277-E280 IonicContact NZ-OE2 2.89Å; K277-E280 PolarHBondContact NZ-OE2 2.9Å; K277-E280 PolarHBondContact O-N 3.42Å
278L91.5Very high89.6Confident16 Ų1653.5 Ų53.58%0.08427%0.271CS..THydrogen-bonded Turntrans-65.3-12.6174.2-71170.2000114.2L223 M225 I227 V261 L274 K276 V285 L287L223-L278 HydrophobicContact CD1-CB 4.03Å; L223-L278 HydrophobicContact CD1-CD2 3.93Å; L223-L278 HydrophobicContact CD1-CG 4.43Å; M225-L278 HydrophobicContact CE-CD1 4.39Å; M225-L278 HydrophobicContact CE-CD2 4.16Å; I227-L278 HydrophobicContact CD1-CD1 3.76Å; V261-L278 HydrophobicContact CB-CD2 4.45Å; V261-L278 HydrophobicContact CG1-CD2 3.74Å; V261-L278 HydrophobicContact CG1-CG 4.26Å; V261-L278 HydrophobicContact CG2-CD2 3.77Å; V261-L278 HydrophobicContact CG2-CG 4.27Å; L274-L278 HydrophobicContact CD1-CD1 4.02Å; L274-L278 HydrophobicContact CD1-CG 4.09Å; L274-L278 HydrophobicContact CG-CD1 4.02Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 3.46Å; K276-L278 VanDerWaalsContact C-N 3.29Å; K276-L278 PolarHBondContact O-N 3.24Å; L278-V285 HydrophobicContact CD2-CG1 3.98Å; L278-L287 HydrophobicContact CD2-CD2 3.55Å
279R88.8Confident89.6Confident198 Ų19852.9 Ų52.975%0.74726%0.264SS*.THydrogen-bonded Turntrans-111-5.7179.8-67.2173.8-171.5-154.23.9114V275 K276 K277 N281V275-R279 WeakPolarHBondContact O-CD 3.43Å; V275-R279 VanDerWaalsContact O-CG 3.27Å; V275-R279 WeakPolarHBondContact O-CG 3.35Å; K276-R279 WeakPolarHBondContact O-CA 3.21Å; K276-R279 PolarHBondContact O-N 3.13Å; K277-R279 PolarHBondContact O-N 3.31Å; R279-N281 PolarHBondContact O-N 3.06Å
280E86.9Confident89.2Confident92 Ų9253.4 Ų53.443%0.4327%0.267SS..SBendtrans-66.3-35.8-177.9-76.7174-167.300113K276 K277 P282K276-E280 PolarHBondContact O-N 3.07Å; K277-E280 WeakPolarHBondContact CD-OE2 3.45Å; K277-E280 VanDerWaalsContact CE-OE2 3.3Å; K277-E280 WeakPolarHBondContact CE-OE2 3.49Å; K277-E280 IonicContact NZ-OE1 3.23Å; K277-E280 IonicContact NZ-OE2 2.89Å; K277-E280 PolarHBondContact NZ-OE2 2.9Å; K277-E280 PolarHBondContact O-N 3.42Å; E280-P282 WeakPolarHBondContact O-CD 3.2Å
281N78.3Confident88.7Confident69 Ų6951.5 Ų51.537%0.36926%0.258SS..  trans-108.8102.3-177.8-72.4-26.3000110.9N262 R279 T283 G284N262-N281 PolarHBondContact ND2-ND2 3.46Å; N262-N281 VanDerWaalsContact ND2-ND2 3.11Å; R279-N281 PolarHBondContact O-N 3.06Å; N281-T283 VanDerWaalsContact C-N 3.31Å; N281-T283 PolarHBondContact O-N 3.14Å; N281-G284 WeakPolarHBondContact CB-O 3.17Å
282P70.3Confident87.7Confident88 Ų8849.5 Ų49.557%0.57125%0.246SC*.SBendtrans-76.8-14.6-178.730.8-36.1000113.8E280E280-P282 WeakPolarHBondContact O-CD 3.2Å
283T73.8Confident86Confident115 Ų11545.3 Ų45.371%0.70623%0.228SC*.SBendtrans-78.6-29-179.7480000113.2N216 N281N216-T283 PolarHBondContact N-O 3.32Å; N281-T283 VanDerWaalsContact C-N 3.31Å; N281-T283 PolarHBondContact O-N 3.14Å
284G83.6Confident84.1Confident16 Ų1647.4 Ų47.417%0.16524%0.242CC..EExtended strand (participates in β ladder)trans171159.2-178.100000111.8L214 N281L214-G284 CarbonylContact O-C 3.45Å; L214-G284 WeakPolarHBondContact O-CA 3.39Å; N281-G284 WeakPolarHBondContact CB-O 3.17Å
285V91.7Very high81.7Confident1 Ų148 Ų481%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-126.4131177.3175.90000109.7L214 I217 L223 V261 N262 L278 L287L214-V285 WeakPolarHBondContact CB-O 3.25Å; L214-V285 PolarHBondContact N-O 3.1Å; L214-V285 PolarHBondContact O-N 3.48Å; I217-V285 HydrophobicContact CD1-CB 4.38Å; I217-V285 HydrophobicContact CD1-CG2 3.83Å; L223-V285 HydrophobicContact CD1-CG2 4.33Å; L223-V285 HydrophobicContact CD2-CB 4.44Å; L223-V285 HydrophobicContact CD2-CG2 4.23Å; V261-V285 HydrophobicContact CG1-CG1 4.05Å; N262-V285 WeakPolarHBondContact OD1-CA 3.47Å; L278-V285 HydrophobicContact CD2-CG1 3.98Å; V285-L287 HydrophobicContact CG1-CD2 3.57Å; V285-L287 HydrophobicContact CG1-CG 4.08Å
286V93.3Very high78.9Confident31 Ų3151.8 Ų51.819%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-100.5125.1169.8-175.80000108.4E211 N262E211-V286 HydrophobicContact CG-CG1 3.65Å; N262-V286 PolarHBondContact N-O 2.87Å; N262-V286 PolarHBondContact OD1-N 3.14Å
287L94.6Very high76.4Confident1 Ų152.7 Ų52.71%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-112.1136.9177.8-56.7176.5000109.3E211 V212 L214 M225 I252 Q260 V261 L278 V285 L289E211-L287 CarbonylContact C-O 3.53Å; E211-L287 WeakPolarHBondContact CA-O 3.27Å; V212-L287 PolarHBondContact N-O 3.08Å; V212-L287 PolarHBondContact O-N 3.31Å; L214-L287 HydrophobicContact CD1-CD1 3.88Å; M225-L287 HydrophobicContact CE-CD1 3.79Å; M225-L287 HydrophobicContact SD-CD1 3.66Å; I252-L287 HydrophobicContact CD1-CD1 3.73Å; Q260-L287 WeakPolarHBondContact O-CA 3.44Å; V261-L287 HydrophobicContact CG1-CD2 4.4Å; V261-L287 HydrophobicContact CG2-CD2 3.86Å; L278-L287 HydrophobicContact CD2-CD2 3.55Å; V285-L287 HydrophobicContact CG1-CD2 3.57Å; V285-L287 HydrophobicContact CG1-CG 4.08Å; L287-L289 HydrophobicContact CB-CD2 4.11Å; L287-L289 HydrophobicContact CB-CG 4.15Å; L287-L289 HydrophobicContact CD1-CD2 4.47Å
288L93.8Very high73.5Confident10 Ų1058.9 Ų58.95%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-102.7116.4160-163.769.7000108.4M1 L209 E211 I259 Q260M1-L288 HydrophobicContact CB-CD2 3.42Å; M1-L288 VanDerWaalsContact CB-CD2 3.42Å; M1-L288 HydrophobicContact CG-CD2 4.33Å; L209-L288 HydrophobicContact CB-CD1 4.19Å; L209-L288 HydrophobicContact CB-CD2 4.47Å; L209-L288 HydrophobicContact CB-CG 4.28Å; L209-L288 HydrophobicContact CD1-CD2 3.77Å; L209-L288 HydrophobicContact CD1-CG 4.39Å; E211-L288 HydrophobicContact CB-CD1 3.84Å; E211-L288 HydrophobicContact CG-CD1 4.22Å; I259-L288 WeakPolarHBondContact CB-O 3.28Å; I259-L288 PolarHBondContact N-O 3.39Å; Q260-L288 HydrophobicContact CB-CB 3.76Å; Q260-L288 HydrophobicContact CG-CB 4.02Å; Q260-L288 HydrophobicContact CG-CD2 4.02Å; Q260-L288 PolarHBondContact N-O 3.07Å; Q260-L288 VanDerWaalsContact N-O 3.16Å; Q260-L288 PolarHBondContact O-N 3.26Å
289L92.5Very high71.1Confident0 Ų063 Ų630%033%0.333CS..EExtended strand (participates in β ladder)trans-110.9130.7-177.3-60-176.9000109.5L209 E210 V212 I237 I252 D256 E257 V258 L287 K291L209-L289 WeakPolarHBondContact CA-O 3.47Å; E210-L289 PolarHBondContact N-O 3.43Å; E210-L289 PolarHBondContact O-N 2.89Å; V212-L289 HydrophobicContact CG2-CD1 4.02Å; V212-L289 HydrophobicContact CG2-CG 4.47Å; I237-L289 HydrophobicContact CD1-CD1 4Å; I237-L289 HydrophobicContact CD1-CD2 3.91Å; I252-L289 HydrophobicContact CB-CD1 4.46Å; I252-L289 HydrophobicContact CD1-CD1 4.31Å; I252-L289 HydrophobicContact CG1-CD1 3.89Å; I252-L289 HydrophobicContact CG2-CD1 4.3Å; D256-L289 HydrophobicContact CB-CB 4.5Å; D256-L289 HydrophobicContact CB-CD1 4.32Å; E257-L289 CarbonylContact O-C 3.59Å; E257-L289 WeakPolarHBondContact O-CA 3.29Å; V258-L289 HydrophobicContact CB-CD2 4.23Å; V258-L289 HydrophobicContact CG1-CD2 4.24Å; V258-L289 HydrophobicContact CG2-CD2 3.93Å; L287-L289 HydrophobicContact CB-CD2 4.11Å; L287-L289 HydrophobicContact CB-CG 4.15Å; L287-L289 HydrophobicContact CD1-CD2 4.47Å; L289-K291 PolarHBondContact O-N 3.17Å
290K87.9Confident68.5Low31 Ų3159.1 Ų59.114%0.13533%0.331CS..EExtended strand (participates in β ladder)trans-82.6114.2167.2171.5179.5164.5-1550107.7L76 A207 L209 E257 I259L76-K290 HydrophobicContact CD2-CD 4.02Å; L76-K290 HydrophobicContact CD2-CG 4.27Å; A207-K290 HydrophobicContact CB-CG 4.18Å; L209-K290 HydrophobicContact CD2-CB 3.64Å; L209-K290 HydrophobicContact CD2-CG 4.26Å; E257-K290 HydrophobicContact CB-CB 4.06Å; E257-K290 PolarHBondContact N-O 3.41Å; E257-K290 PolarHBondContact O-N 3.32Å; E257-K290 IonicContact OE1-NZ 2.66Å; E257-K290 WeakPolarHBondContact OE2-CD 3.5Å; E257-K290 VanDerWaalsContact OE2-CE 3.28Å; E257-K290 WeakPolarHBondContact OE2-CE 3.3Å; E257-K290 IonicContact OE2-NZ 2.68Å; E257-K290 PolarHBondContact OE2-NZ 3.43Å; I259-K290 HydrophobicContact CD1-CB 3.78Å; I259-K290 HydrophobicContact CD1-CD 4.24Å; I259-K290 HydrophobicContact CG1-CB 3.55Å
291K83.6Confident66.2Low17 Ų1758.6 Ų58.67%0.07434%0.336CS..  trans-80152.9-175.8-62.9-71.1156.81770110.8C208 E210 K251 D256 L289C208-K291 PolarHBondContact O-N 3.1Å; E210-K291 HydrophobicContact CB-CD 4.28Å; E210-K291 VanDerWaalsContact CB-CE 3.47Å; E210-K291 HydrophobicContact CB-CG 3.91Å; E210-K291 WeakPolarHBondContact OE2-CE 3.49Å; E210-K291 IonicContact OE2-NZ 3.26Å; E210-K291 PolarHBondContact OE2-NZ 2.89Å; K251-K291 PolarHBondContact O-NZ 3.47Å; D256-K291 IonicContact OD1-NZ 3.74Å; D256-K291 IonicContact OD2-NZ 2.68Å; D256-K291 PolarHBondContact OD2-NZ 3.32Å; L289-K291 PolarHBondContact O-N 3.17Å
292R71.1Confident64.2Low21 Ų2158.6 Ų58.68%0.07935%0.346CS..  trans-68.1143.9163.9-59.7-173.7-76.390.40.5109.3R140 A141 A254 G255 T294R140-R292 HydrophobicContact CB-CG 4.31Å; A141-R292 WeakPolarHBondContact O-CD 3.19Å; A141-R292 PolarHBondContact O-NH1 2.83Å; A254-R292 VanDerWaalsContact O-CZ 3.3Å; A254-R292 PolarHBondContact O-NE 2.83Å; A254-R292 PolarHBondContact O-NH2 2.96Å; G255-R292 WeakPolarHBondContact O-CD 3.37Å; G255-R292 VanDerWaalsContact O-CG 3.23Å; G255-R292 WeakPolarHBondContact O-CG 3.36Å; R292-T294 PolarHBondContact O-N 3.49Å
293P58.4Low62.6Low1 Ų159.1 Ų59.11%0.00635%0.349CS..  trans-57.5113169.8-25.135.7000110.6W137 Q205W137-P293 HydrophobicContact CZ2-CB 4.28Å; W137-P293 HydrophobicContact CZ2-CG 3.85Å; Q205-P293 HydrophobicContact CB-CB 4.15Å; Q205-P293 HydrophobicContact CG-CB 4.24Å
294T54.8Low61.3Low69 Ų6958.3 Ų58.342%0.42334%0.34SS..  trans-109.1107.1-178.243.30000111.6Q205 R292Q205-T294 PolarHBondContact NE2-O 3.06Å; Q205-T294 PolarHBondContact OE1-O 3.36Å; R292-T294 PolarHBondContact O-N 3.49Å
295G43Very low59.4Low13 Ų1363.6 Ų63.613%0.13436%0.358CS..  trans-59.5165.8160.100000112.2V202 F297V202-G295 VanDerWaalsContact CG2-CA 3.4Å; G295-F297 PolarHBondContact O-N 3.2Å
296S34.8Very low57.1Low126 Ų12670.5 Ų70.588%0.88140%0.395SS*.SBendtrans-72.950-175.5-173.80000114.1
297F38.5Very low54.6Low152 Ų15274.6 Ų74.667%0.66742%0.416SS*.  trans-109121.2172-66.2-75.3000109.3G295 F299G295-F297 PolarHBondContact O-N 3.2Å; F297-F299 VanDerWaalsContact C-N 3.31Å; F297-F299 HydrophobicContact CB-CE2 4.33Å; F297-F299 WeakPolarHBondContact O-CD2 3.5Å; F297-F299 PolarHBondContact O-N 2.76Å
298N32.6Very low52.3Low169 Ų16984.2 Ų84.290%0.90445%0.452SS*.  trans-66.391.4172-65.7-30.5000108.7T300N298-T300 PolarHBondContact O-N 2.84Å
299F41.3Very low49.5Very low103 Ų10394.1 Ų94.145%0.45249%0.489SS..PPolyproline II helixtrans-63.8118.8176.7-88.5-84.2000109.7P142 F297P142-F299 HydrophobicContact CB-CZ 4.22Å; F297-F299 VanDerWaalsContact C-N 3.31Å; F297-F299 HydrophobicContact CB-CE2 4.33Å; F297-F299 WeakPolarHBondContact O-CD2 3.5Å; F297-F299 PolarHBondContact O-N 2.76Å
300T34.5Very low46.9Very low116 Ų116101.3 Ų101.371%0.71252%0.52SS*.PPolyproline II helixtrans-57.8127.7154.542.60000107.4N298 A302N298-T300 PolarHBondContact O-N 2.84Å; T300-A302 PolarHBondContact O-N 3.23Å
301P38.3Very low44.2Very low81 Ų81104.9 Ų104.953%0.52655%0.546SS..PPolyproline II helixtrans-59.4128.8177.923.3-32.6000108.5P303P301-P303 WeakPolarHBondContact O-CD 3.47Å; P301-P303 VanDerWaalsContact O-N 3.11Å
302A35.4Very low41.8Very low69 Ų69110.1 Ų110.157%0.5758%0.582SS**PPolyproline II helixtrans-52.5119.8-174.200000109.6T300 L304T300-A302 PolarHBondContact O-N 3.23Å; A302-L304 PolarHBondContact O-N 2.76Å
303P37.1Very low40Very low100 Ų100116.5 Ų116.565%0.64962%0.617SS**  trans-79.560.4-165.731.4-36.7000112.7P301 K305P301-P303 WeakPolarHBondContact O-CD 3.47Å; P301-P303 VanDerWaalsContact O-N 3.11Å; P303-K305 PolarHBondContact O-N 2.8Å
304L47.8Very low39Very low97 Ų97122.7 Ų122.751%0.50865%0.654SS.*  trans-71.219.2168.8-60.1-177.9000112.9T238 A302 N306 L307T238-L304 WeakPolarHBondContact O-CD1 3.05Å; A302-L304 PolarHBondContact O-N 2.76Å; L304-N306 PolarHBondContact O-N 3.37Å; L304-L307 PolarHBondContact O-N 3Å
305K43.8Very low37.9Very low128 Ų128128.3 Ų128.356%0.55768%0.676SS**THydrogen-bonded Turntrans-54.4-11.4179.5-63.8179.5167.3-720114.4E242 P303E242-K305 HydrophobicContact CG-CG 4.37Å; E242-K305 WeakPolarHBondContact OE1-CD 3.19Å; E242-K305 WeakPolarHBondContact OE1-CE 3.16Å; E242-K305 VanDerWaalsContact OE1-CG 3.25Å; E242-K305 WeakPolarHBondContact OE1-CG 3.39Å; E242-K305 IonicContact OE1-NZ 3.9Å; E242-K305 PolarHBondContact OE1-NZ 3.01Å; P303-K305 PolarHBondContact O-N 2.8Å
306N42.8Very low37.3Very low145 Ų145134 Ų13478%0.77571%0.708SS**THydrogen-bonded Turntrans-115.5-0.5-172.1-69.6-55.3000115.9L304 R308L304-N306 PolarHBondContact O-N 3.37Å; N306-R308 PolarHBondContact O-N 3.16Å
307L40.8Very low37.2Very low118 Ų118133.3 Ų133.362%0.61870%0.703SS**  trans-78.765.7170-74.9179.5000110.9L304 W309L304-L307 PolarHBondContact O-N 3Å; L307-W309 PolarHBondContact O-N 3.46Å
308R45.9Very low37Very low202 Ų202131.6 Ų131.676%0.76271%0.707SS**  trans-75.762-172.1-162.3-171.3-169.8174.87.7113.1N306 K310N306-R308 PolarHBondContact O-N 3.16Å; R308-K310 PolarHBondContact O-N 3.18Å
309W35.8Very low37.2Very low219 Ų219129 Ų12983%0.8370%0.7SS**  trans-6597.7162.9-78.8102.4000109.6L307L307-W309 PolarHBondContact O-N 3.46Å
310K36.2Very low37Very low150 Ų150130.4 Ų130.465%0.65272%0.719SS**PPolyproline II helixtrans-70.7132.1165-73.4-169.7175.7-174.40108.6R308R308-K310 PolarHBondContact O-N 3.18Å
311P32.3Very low36.8Very low107 Ų107131.6 Ų131.670%0.69573%0.727SS**PPolyproline II helixtrans-64.1150.4165.429.3-34000109.6L313P311-L313 PolarHBondContact O-N 2.69Å
312P31.8Very low36.3Very low126 Ų126133.8 Ų133.882%0.81874%0.739SS**PPolyproline II helixtrans-57121.4168.1-22.633.8000109.6V314P312-V314 PolarHBondContact O-N 3.11Å
313L35.2Very low36.1Very low155 Ų155136.3 Ų136.381%0.81275%0.747SS**  trans-76.1114.1178.4-15981.4000108.3P311 Q315P311-L313 PolarHBondContact O-N 2.69Å; L313-Q315 PolarHBondContact O-N 2.94Å; L313-Q315 VanDerWaalsContact O-N 3.12Å
314V37.3Very low35.8Very low131 Ų131141 Ų14179%0.79476%0.76SS**  trans-64.7112.9172.7179.80000107.7P312 T316P312-V314 PolarHBondContact O-N 3.11Å; V314-T316 PolarHBondContact O-N 3.43Å; V314-T316 VanDerWaalsContact O-N 3.15Å
315Q31.1Very low34.7Very low188 Ų188141.9 Ų141.988%0.87977%0.774SS**  trans-73.8104-179.7-72.7-176-21.600110.4L313L313-Q315 PolarHBondContact O-N 2.94Å; L313-Q315 VanDerWaalsContact O-N 3.12Å
316T31Very low34.9Very low132 Ų132141.5 Ų141.581%0.8179%0.785SS**PPolyproline II helixtrans-87.3135.6155.8450000109.2V314V314-T316 PolarHBondContact O-N 3.43Å; V314-T316 VanDerWaalsContact O-N 3.15Å
317S31Very low34Very low111 Ų111143.2 Ų143.278%0.77679%0.788SS**PPolyproline II helixtrans-75.1141.8-176.6450000112.3
318P35.6Very low33.5Very low117 Ų117142.5 Ų142.576%0.7679%0.793SS**PPolyproline II helixtrans-80.2147.7173.232.8-34.2000111.9
319P35.7Very low32.8Very low114 Ų114138 Ų13874%0.7479%0.789SS**PPolyproline II helixtrans-76.8160165.933.9-34.7000111.5
320P37.4Very low32.6Very low132 Ų132135.7 Ų135.786%0.85779%0.789SS**PPolyproline II helixtrans-75.2149-18031.3-35.5000112.9
321T29.6Very low32.2Very low142 Ų142135 Ų13587%0.87179%0.792SS**  trans-112.9149173.538.50000111.8
322T28.4Very low32Very low127 Ų127135.6 Ų135.678%0.77979%0.794SS**  trans-112.4130-176-420000111.1
323T31.1Very low32Very low122 Ų122134.4 Ų134.475%0.74879%0.789SS**  trans48.4125.8160.6490000120.6
324Q30.7Very low31.8Very low199 Ų199133.9 Ų133.993%0.9379%0.786SS**  -155157.8128.4-119.6161.573.200112.2
325S24.1Very low31.5Very low114 Ų114137.9 Ų137.980%0.79779%0.793SS**  trans-111.1162.1-175.5-55.10000111.2
326P49.3Very low31.6Very low120 Ų120137.3 Ų137.378%0.77979%0.787SS**  trans-108.9161-164.440.1-34000115.5
327E24.7Very low31.5Very low181 Ų181140.2 Ų140.285%0.84679%0.792SS**  trans-171.1122.4133.6-105.7-177.1137.400110.2
328S30.1Very low31.6Very low104 Ų104143.4 Ų143.473%0.72779%0.792SS**  79.9155.1112.498.30000115.3
329T29.9Very low31.5Very low108 Ų108144 Ų14466%0.66380%0.799SS**  cis-159.5137.311.8-128.20000112.1
330M31.5Very low31.7Very low170 Ų170143.1 Ų143.184%0.83780%0.801SS**  trans59.5161.2159.3-51.4-63.9173.100121.3
331D28.7Very low32.1Very low134 Ų134144.5 Ų144.572%0.71780%0.8SS**  cis-164.9176.8-41.8-167.818.2000109.8
332T28.3Very low32.6Very low121 Ų121145.3 Ų145.374%0.74280%0.798SS**  trans81125.5175.471.70000116.3
333S30.8Very low33.6Very low100 Ų100146.6 Ų146.670%0.69980%0.8SS**  cis109.2134.818.1178.10000112
334L31.8Very low34.1Very low145 Ų145148.2 Ų148.276%0.75980%0.803SS**  cis-162.5143.4-15.7-106.7176000107.4
335K30.8Very low34.9Very low214 Ų214147.8 Ų147.893%0.9379%0.794SS**  trans-155.3148.7141-116.7164-171.1173.70111.1
336K32.3Very low36.1Very low176 Ų176149.3 Ų149.377%0.76579%0.792SS**  trans-137.6103.3-147.9-178.7179.9-174.6170.40110.7
337E29Very low35.7Very low194 Ų194147.7 Ų147.791%0.90778%0.781SS**  trans-94.5145.7161.5-169.5151.4-15200109.3
338K34.3Very low36.8Very low177 Ų177144 Ų14477%0.7777%0.773SS**  trans-97.3114.6-169.1-68176.9179.2176.60110.6A340K338-A340 PolarHBondContact O-N 3.39Å
339S33.9Very low37.4Very low130 Ų130144.6 Ų144.691%0.90978%0.775SS**  trans-61.3106.7161-58.10000109.4
340A39Very low38.3Very low95 Ų95145.2 Ų145.279%0.78578%0.781SS**  trans-106.562.1178.300000110.6K338K338-A340 PolarHBondContact O-N 3.39Å
341I45.3Very low39Very low162 Ų162142.2 Ų142.283%0.83178%0.783SS**  trans-124.6107166-57.4-179.9000106.1
342L40.7Very low40.1Very low159 Ų159141.4 Ų141.483%0.83278%0.782SS**  trans-72.3158.3170.9-96.7140000110.2L344L342-L344 PolarHBondContact O-N 2.99Å
343D50.1Low40.8Very low153 Ų153140.9 Ų140.982%0.81878%0.781SS**  trans-51.5123.2173.3-75.9-68.1000112.3
344L41.4Very low41.1Very low157 Ų157147.4 Ų147.482%0.82279%0.792SS**  trans-119.975.8159.1-73.3176000107.7L342 I346L342-L344 PolarHBondContact O-N 2.99Å; L344-I346 PolarHBondContact O-N 3.28Å; L344-I346 VanDerWaalsContact O-N 3.09Å
345Y48.4Very low41.5Very low190 Ų190145.3 Ų145.375%0.74579%0.789SS**  trans-65.3105.5169.3177.5-95.3000109.2P347Y345-P347 HydrophobicContact CE1-CB 4.02Å
346I49.2Very low41.7Very low146 Ų146140.9 Ų140.975%0.74978%0.782SS**  trans-96.5113.9173-60.3171.7000107.1L344L344-I346 PolarHBondContact O-N 3.28Å; L344-I346 VanDerWaalsContact O-N 3.09Å
347P40.7Very low41.9Very low85 Ų85143.9 Ų143.955%0.55279%0.789SS**PPolyproline II helixtrans-67.2146.9177.427.7-33.9000110.8Y345Y345-P347 HydrophobicContact CE1-CB 4.02Å
348P47.5Very low42.3Very low105 Ų105141.9 Ų141.968%0.68278%0.784SS**PPolyproline II helixtrans-67149.9176.729-35000111.4
349P42.8Very low42.2Very low116 Ų116142.6 Ų142.675%0.75379%0.79SS**PPolyproline II helixtrans-65.5149.5176.928.2-34.9000111.8
350P48.7Very low42.4Very low121 Ų121144.6 Ų144.679%0.78679%0.791SS**PPolyproline II helixtrans-66.2138.7-177.126.8-34.6000112.4V352P350-V352 VanDerWaalsContact C-N 3.26Å; P350-V352 PolarHBondContact O-N 3.3Å
351A45.7Very low42.1Very low107 Ų107143.6 Ų143.688%0.88479%0.79SS**SBendtrans-83.238.6-16700000115.3
352V52.5Low41.3Very low116 Ų116141 Ų14170%0.70379%0.786SS**  trans-127.1123.4-177.4-170.60000110.6P350P350-V352 VanDerWaalsContact C-N 3.26Å; P350-V352 PolarHBondContact O-N 3.3Å
353P42.7Very low40.8Very low111 Ų111143.2 Ų143.272%0.72179%0.79SS**  trans-63.9140.4174.2-21.333.3000112.4S355P353-S355 PolarHBondContact O-N 2.92Å
354Y37.5Very low39.9Very low237 Ų237141.1 Ų141.193%0.92978%0.782SS**  trans-73.4103.5168-91.1-94.1000110.1
355S40.1Very low39.5Very low100 Ų100144.4 Ų144.470%0.69979%0.785SS**  trans-77138.6166.1-57.80000110.4P353P353-S355 PolarHBondContact O-N 2.92Å
356P34.6Very low38.6Very low121 Ų121138.8 Ų138.879%0.78679%0.785SS**  trans-57.3142.6163.3-19.732.5000109.9
357R36.1Very low37.6Very low239 Ų239135.3 Ų135.390%0.90279%0.785SS**  trans-108.2108.8177.4-162.8-176.2-157.8-162.96.3109.2E359R357-E359 PolarHBondContact O-N 3.18Å
358D36.8Very low37Very low152 Ų152136.8 Ų136.881%0.81380%0.798SS**  trans-62.9130.9172.2-60.5-57.2000110.2
359E32.5Very low36.1Very low192 Ų192137.2 Ų137.290%0.89780%0.803SS**  trans-80.4121.6168-77.6-159115.800110.3R357R357-E359 PolarHBondContact O-N 3.18Å
360N38.9Very low35.6Very low172 Ų172141.3 Ų141.392%0.9281%0.809SS**  trans-149.3111160.2-111.1-35000108.9
361G32Very low34.5Very low74 Ų74141.1 Ų141.176%0.76381%0.809SS**  trans-152.898.8-174.100000112
362S29.3Very low33.8Very low107 Ų107144.9 Ų144.975%0.74881%0.806SS**  trans-73.4141.6179.5178.90000112.7
363F29.2Very low33Very low207 Ų207148.1 Ų148.191%0.90881%0.813SS**  trans-147.2156.5162.4-91.7-71.4000113.3
364V30.4Very low32.7Very low109 Ų109148.7 Ų148.766%0.66182%0.817SS**  trans-150.1147.1-166.3170.90000106.3
365Y33Very low32.6Very low225 Ų225144.7 Ų144.788%0.88281%0.811SS**  cis-146155.225.1-130.3-41.1000112
366G30.1Very low32.6Very low72 Ų72145.9 Ų145.974%0.74282%0.816SS**  77.1110.7129.100000121.8
367G28Very low32.3Very low74 Ų74142.9 Ų142.976%0.76381%0.807SS**  101.295.4118.600000121.8
368S28.4Very low32.2Very low116 Ų116136.7 Ų136.781%0.81180%0.8SS**  trans74.9111.7132.5-58.90000123.5
369S28.9Very low32.2Very low113 Ų113139.1 Ų139.179%0.7980%0.804SS**  97.1134.5124.479.60000123.4
370K31.6Very low32.2Very low202 Ų202133.3 Ų133.388%0.87880%0.795SS**  trans61.990.4152.6-69.6-178.6177.7177.80122.9
371C25.7Very low32.1Very low118 Ų118131 Ų13180%0.79779%0.793SS**  59.3125119.1-142.10000123.6
372K31Very low32.5Very low186 Ų186136.5 Ų136.581%0.80980%0.799SS**  trans95.697.2154.3-58.5-156.4178.4-175.80121.5
373Q35.7Very low32.9Very low183 Ų183136.2 Ų136.286%0.85580%0.796SS**  trans67.1158.7141-78.3-174.4-1900119.3
374P37.5Very low33.5Very low124 Ų124132.8 Ų132.881%0.80580%0.795SS**  cis-119.4-170.410.742.4-29.5000116.7
375L36Very low33.9Very low153 Ų153135.4 Ų135.480%0.80181%0.805SS**  trans-66167.2173.9-83.1152.4000112.9
376P39.4Very low34.4Very low124 Ų124129 Ų12981%0.80579%0.794SS**  cis-147.516434.342.8-22.9000120.5
377G27.4Very low34.8Very low58 Ų58134.4 Ų134.460%0.59880%0.797SS**  65.7100.8122.100000122.6
378S34.5Very low35.3Very low109 Ų109138.9 Ų138.976%0.76280%0.803SS**  trans60.4126.6141.169.10000121.3
379K36.3Very low35.9Very low204 Ų204137.8 Ų137.889%0.88779%0.788SS**  176.9136.5102.6-93.1168.4-176.2-176.20110.7
380G32.5Very low36.5Very low69 Ų69139.5 Ų139.571%0.71178%0.783SS**PPolyproline II helixtrans-88147.8164.900000110.2
381S38.5Very low36.7Very low124 Ų124136.9 Ų136.987%0.86777%0.774SS**PPolyproline II helixtrans-72135.117749.40000111.8
382E39.4Very low37.4Very low190 Ų190134.7 Ų134.789%0.88876%0.76SS**PPolyproline II helixtrans-87139.9-170.5-63.1169.9119.100112.6
383S38.1Very low37.9Very low100 Ų100135 Ų13570%0.69976%0.756SS**PPolyproline II helixtrans-96.1141.5173.3-64.70000111.1N385S383-N385 VanDerWaalsContact C-N 3.27Å; S383-N385 PolarHBondContact O-N 2.84Å
384P40.3Very low38Very low135 Ų135136.2 Ų136.288%0.87775%0.753SS**SBendtrans-75.517.9-157.3-20.235.3000118.7
385N40.3Very low37.9Very low164 Ų164141.3 Ų141.388%0.87776%0.756SS**  trans-13133-165.9-97-20.6000114.8S383S383-N385 VanDerWaalsContact C-N 3.27Å; S383-N385 PolarHBondContact O-N 2.84Å
386S43.5Very low37.8Very low92 Ų92144.7 Ų144.764%0.64376%0.758SS**  trans-89.61.1-171.857.20000116.6L388S386-L388 PolarHBondContact O-N 2.68Å
387F37.4Very low37.2Very low185 Ų185148.8 Ų148.881%0.81176%0.764SS**THydrogen-bonded Turntrans-88.617.7-163.8-157.9-106000117
388L39.9Very low37.3Very low168 Ų168152.2 Ų152.288%0.8877%0.773SS**THydrogen-bonded Turntrans-124.9-6.6179.7-73.6175.1000116.4S386S386-L388 PolarHBondContact O-N 2.68Å
389D41.1Very low37.2Very low93 Ų93155.5 Ų155.550%0.49778%0.78SS.*SBendtrans-102.719.3-178-164.342.3000114.7S392 R393D389-S392 PolarHBondContact O-OG 2.85Å; D389-S392 VanDerWaalsContact O-OG 3.14Å; D389-S392 PolarHBondContact OD1-OG 2.88Å; D389-R393 IonicContact OD2-NE 2.67Å; D389-R393 IonicContact OD2-NH2 2.6Å
390Q39.8Very low36.9Very low148 Ų148149.8 Ų149.869%0.69277%0.771SS**SBendtrans-92.5-30.7177.3-64-163.811.500113.7
391E37.1Very low36.8Very low147 Ų147153.8 Ų153.869%0.68778%0.776SS**G310 helixtrans-75.7-29.7179.6-157.858.5-128.100112.1R393 R394E391-R393 PolarHBondContact O-N 3.32Å; E391-R394 PolarHBondContact O-N 3.13Å
392S39.7Very low36.4Very low72 Ų72152.5 Ų152.550%0.50377%0.767SS.*G310 helixtrans-60.2-25.9178.565.10000113.5D389D389-S392 PolarHBondContact O-OG 2.85Å; D389-S392 VanDerWaalsContact O-OG 3.14Å; D389-S392 PolarHBondContact OD1-OG 2.88Å
393R40.7Very low36Very low194 Ų194150.6 Ų150.673%0.73276%0.763SS**G310 helixtrans-94.4-9.8-174.2-61.7-168.9-177.4-138.7-0.2114.8D389 E391 R395D389-R393 IonicContact OD2-NE 2.67Å; D389-R393 IonicContact OD2-NH2 2.6Å; E391-R393 PolarHBondContact O-N 3.32Å; R393-R395 PolarHBondContact O-N 2.82Å
394R38.5Very low35.7Very low207 Ų207155 Ų15578%0.78177%0.773SS**SBendtrans-82.40.5-177.2-81.1-168174-86.32115.8E391E391-R394 PolarHBondContact O-N 3.13Å
395R36.2Very low35.2Very low231 Ų231156.3 Ų156.387%0.87277%0.772SS**SBendtrans-124.152.2-179.7-65.4-162.1-174.9-153.35.1115.3R393R393-R395 PolarHBondContact O-N 2.82Å
396R32.2Very low35.1Very low224 Ų224154.8 Ų154.885%0.84577%0.77SS**  trans-146.987.8162.8-66.9-169.7-164.41656.8112.7
397F27.8Very low34.4Very low211 Ų211153.1 Ų153.193%0.92577%0.768SS**  trans-144.7118.8155.1-80.8-68.4000110.9
398T30.2Very low34Very low130 Ų130155.6 Ų155.680%0.79877%0.774SS**  trans-103.7142153.137.30000107.7
399I31Very low33.4Very low177 Ų177152 Ų15291%0.90876%0.763SS**  trans175.8162.5141.4-93.5157.2000107.9
400A31.1Very low32.9Very low85 Ų85153.3 Ų153.370%0.70277%0.774SS**  trans-95.7151.3-16400000114.9
401D30.2Very low32.3Very low153 Ų153154.2 Ų154.282%0.81878%0.778SS**  trans73.7153.7138.6-124.5-29.3000123.3
402S30.2Very low31.9Very low97 Ų97153.2 Ų153.268%0.67878%0.782SS**  trans69.791158.3-62.10000121.5
403D30.2Very low31.4Very low149 Ų149157.5 Ų157.580%0.79780%0.799SS**  36118.2119.2-63.3-4000121.5
404Q31.4Very low31Very low193 Ų193155.6 Ų155.690%0.90280%0.802SS**  -178.9148.398-92179.618.400113.2
405L30.1Very low30.6Very low163 Ų163153.5 Ų153.585%0.85381%0.806SS**  trans-111.1158.5172.2-76.9171.6000108.5
406P39.3Very low30.8Very low131 Ų131147.6 Ų147.685%0.85180%0.797SS**  -147.2-177.351.338-15.8000116.1
407G27.8Very low30.6Very low58 Ų58144 Ų14460%0.59880%0.8SS**  cis162.2155.9-13.400000114.9
408Y29.4Very low30.8Very low236 Ų236143.5 Ų143.593%0.92580%0.798SS**  trans68.7151.9164.9-75.2-87.7000119.4
409S26.4Very low31Very low94 Ų94146 Ų14666%0.65780%0.803SS**  cis-150.3158.913.573.20000116.1
410V30.9Very low30.9Very low120 Ų120149 Ų14973%0.72780%0.803SS**  trans73.2136.6151.31680000116.9
411E27.7Very low30.8Very low166 Ų166154.2 Ų154.278%0.77681%0.812SS**  cis-144.3148.5-1.1-133.9156.3-144.800108.3
412T28.8Very low30.8Very low126 Ų126156 Ų15677%0.77381%0.812SS**  -175153.274.1-47.30000108.9
413N29.2Very low30.6Very low162 Ų162157.5 Ų157.587%0.86682%0.818SS**  trans-90.6157.2-172-77.7-68.4000116.2
414I32.5Very low31Very low155 Ų155156.2 Ų156.280%0.79582%0.818SS**  trans-130130.9178.6-61170.3000109.9
415L29.5Very low30.9Very low163 Ų163151.6 Ų151.685%0.85381%0.807SS**  trans179170.7152.2-125.284.4000109.9
416P40.4Very low30.9Very low107 Ų107155.3 Ų155.370%0.69581%0.811SS**  -117177.6-5836.5-23000112.1
417T27.6Very low30.5Very low147 Ų147152.7 Ų152.790%0.90281%0.808SS**  trans-127.1126.3157.8-51.20000110.6
418K33.8Very low30.8Very low201 Ų201159.7 Ų159.787%0.87482%0.822SS**  trans-107171.8179.2-136.3178-175.6-178.50110.8
419M32.6Very low31.3Very low183 Ų183154.6 Ų154.690%0.90182%0.817SS**  trans-59.2159-178.6-68.4178.765.900114.3
420R30.4Very low31.8Very low241 Ų241161.3 Ų161.391%0.90983%0.828SS**  trans-127.1148.9166-173.6170.5-179.7156.62.1110.6
421E29.3Very low32.1Very low194 Ų194161.6 Ų161.691%0.90783%0.832SS**  trans-90.5-175-168.7-63.1176.2105.200114.8
422K28.5Very low32.4Very low189 Ų189162 Ų16282%0.82284%0.839SS**  trans-99.9154.1-162.4-62175.7175.8175.10115.4
423T27.3Very low32.8Very low130 Ų130161.7 Ų161.780%0.79884%0.842SS**  trans65.4162149.438.30000118.5
424P37.8Very low33.3Very low121 Ų121162.2 Ų162.279%0.78684%0.841SS**  cis-99.2-147-242.1-33.4000111.2
425S30.2Very low33.7Very low96 Ų96160.9 Ų160.967%0.67184%0.843SS**  cis-160.7149.82.739.20000112.9
426Y30.1Very low34.5Very low242 Ų242157 Ų15795%0.94984%0.835SS**  trans38.1124.3150.6-78.5-100.3000122.3
427G29.8Very low34.2Very low75 Ų75160.2 Ų160.277%0.77385%0.846SS**  trans-166.25.417500000120.4
428K35.1Very low34.3Very low206 Ų206157 Ų15790%0.89684%0.843SS**  trans62.8131.3-177.1-64.3-179.3176.7178.20117
429P39Very low34.2Very low128 Ų128154.5 Ų154.583%0.83184%0.838SS**PPolyproline II helixtrans-81.4159.9174.534.3-35.2000113
430R37.7Very low34.3Very low235 Ų235156.5 Ų156.589%0.88784%0.836SS**PPolyproline II helixtrans-83.7156.9165.8-82.6-171.8-84.5-175.6-5.5111.1
431P37Very low34.4Very low126 Ų126154.2 Ų154.282%0.81884%0.838SS**PPolyproline II helixtrans-72.6138.7-163.6-18.532.8000114.5
432L34.9Very low34.3Very low175 Ų175147.9 Ų147.992%0.91683%0.825SS**PPolyproline II helixtrans-93.1118.9156.6-73.1169.9000108
433S37Very low34.4Very low120 Ų120146.7 Ų146.784%0.83983%0.826SS**  trans-101.671.3-177.859.10000112.2
434M40.1Very low34.5Very low172 Ų172146.7 Ų146.785%0.84783%0.826SS**  trans-157.398.2157.8-164.6175.678.200111.6
435P40.1Very low34.4Very low127 Ų127147.7 Ų147.783%0.82582%0.824SS**  trans-81153.9159.60.219.2000110.2
436A46.6Very low34.7Very low83 Ų83147.4 Ų147.469%0.68682%0.82SS**  trans-113.7149.6167.800000109.8
437D33.9Very low34.8Very low173 Ų173145.4 Ų145.493%0.92582%0.817SS**  173.3152.3128.4-88.9-22.9000110.8
438G29.4Very low34.9Very low81 Ų81146.2 Ų146.284%0.83582%0.816SS**  trans179.463.2-172.600000113.1
439N32Very low35.1Very low147 Ų147147.7 Ų147.779%0.78682%0.816SS**  trans-76.3144.2-171.3-178.786.1000114.5
440W35.1Very low35.4Very low225 Ų225146.8 Ų146.885%0.85281%0.81SS**  trans-22134.6169.3-61.485.1000120
441M32Very low35.2Very low193 Ų193146.3 Ų146.395%0.95181%0.809SS**  trans-164.6156.2132-83.4-121.6-72.100108.1
442G27.6Very low34.8Very low61 Ų61143.4 Ų143.463%0.62980%0.801SS**  cis158.370-300000113.7
443I29.7Very low34.8Very low165 Ų165143.6 Ų143.685%0.84680%0.797SS**  trans-13595172.4-61.1178000106.8
444V29.5Very low34.5Very low130 Ų130141.3 Ų141.379%0.78879%0.793SS**  71.7101.687.7176.70000112.5
445D35.5Very low34.4Very low141 Ų141144.8 Ų144.875%0.75480%0.796SS**  trans-102.2134.1171.1160.141.8000110F447D445-F447 PolarHBondContact OD1-N 3.15Å
446P36.8Very low34.2Very low91 Ų91146.6 Ų146.659%0.59179%0.791SS**  trans-122.3104.6157.934.1-18.8000111.8
447F32.9Very low33.4Very low199 Ų199145.5 Ų145.587%0.87379%0.788SS**  -172.216197.7-87.5-62.1000112.5D445D445-F447 PolarHBondContact OD1-N 3.15Å
448A30.5Very low33.3Very low92 Ų92144.5 Ų144.576%0.7678%0.778SS**  trans-108149.6-156.300000117.3
449R39.8Very low33.3Very low237 Ų237148.2 Ų148.289%0.89478%0.779SS**  trans4.3149.5139-73.8-175.5-179.2-168.51.4118.4
450P44.5Very low33.3Very low110 Ų110145 Ų14571%0.71477%0.773SS**  -159.1154.354.440.7-18.9000122.3
451R34Very low33.3Very low225 Ų225142 Ų14285%0.84977%0.772SS**  trans58.3155.6144.5-68.7-175.4-180-163.53.3120.9
452G30Very low33.2Very low64 Ų64139.1 Ų139.166%0.6677%0.769SS**  cis162.1179.4-1000000115.9
453H34.7Very low33.3Very low179 Ų179146.9 Ų146.983%0.82978%0.78SS**  trans67.5146.2170.9-53.4-32.4000117.2
454G29.3Very low33.4Very low73 Ų73150.1 Ų150.175%0.75378%0.783SS**  cis-179.5174.4-3.900000109.1
455R37.7Very low33.4Very low244 Ų244153.7 Ų153.792%0.92179%0.788SS**  cis-151.5156.84.9-62.8178.8174.6-167.6-1111.2
456K37.3Very low33.4Very low165 Ų165151.8 Ų151.872%0.71779%0.786SS**  trans20.4140.3136-154.8174.6-164.4-78.40121E458K456-E458 WeakPolarHBondContact CE-OE1 3.36Å; K456-E458 IonicContact NZ-OE1 2.71Å; K456-E458 PolarHBondContact NZ-OE1 2.92Å; K456-E458 IonicContact NZ-OE2 2.69Å; K456-E458 PolarHBondContact NZ-OE2 3.28Å
457G28.7Very low33.7Very low60 Ų60155 Ų15562%0.61980%0.799SS**  cis156.9-176.8-4.100000114.2
458E32Very low34.2Very low152 Ų152152.6 Ų152.671%0.7179%0.79SS**  trans60.3147.8-179.8-70.5108.4-108.600116.2K456K456-E458 WeakPolarHBondContact CE-OE1 3.36Å; K456-E458 IonicContact NZ-OE1 2.71Å; K456-E458 PolarHBondContact NZ-OE1 2.92Å; K456-E458 IonicContact NZ-OE2 2.69Å; K456-E458 PolarHBondContact NZ-OE2 3.28Å
459D29.9Very low34.9Very low160 Ų160160.1 Ų160.186%0.85680%0.799SS**  cis-135.3169.516.8-163.15.1000112.5
460A32.9Very low35Very low80 Ų80155.2 Ų155.266%0.66179%0.789SS**  trans-132.8125.7-167.400000115.5
461L33.4Very low34.6Very low162 Ų162155.1 Ų155.185%0.84879%0.788SS**  trans-134.8112.8164.6-76.7177.2000111.3
462C30Very low34.5Very low131 Ų131149.9 Ų149.989%0.88578%0.783SS**  trans-71.6131.9176.1-620000111.6
463R30.7Very low34.6Very low224 Ų224154.3 Ų154.385%0.84579%0.79SS**  trans-131.6147.4156.3-67.4-169.5-173.51293.5109.4
464Y31.4Very low34.6Very low234 Ų234153.2 Ų153.292%0.91879%0.789SS**  trans-69.7146.9-173.5-77.7-105.5000112.1
465F30.2Very low34.7Very low204 Ų204158 Ų15890%0.89579%0.791SS**  trans-70.2140.5170.7-79.9-94000111.3
466S35.3Very low34.3Very low101 Ų101154.6 Ų154.671%0.70679%0.786SS**  trans-110.3143.9161.953.40000109.7E468S466-E468 VanDerWaalsContact C-N 3.33Å; S466-E468 PolarHBondContact O-N 3.33Å
467N41.6Very low33.8Very low160 Ų160150.8 Ų150.886%0.85678%0.78SS**SBendtrans-89.720.3-167.5-77.5-15.6000115.1
468E44.4Very low33.7Very low147 Ų147153.2 Ų153.269%0.68779%0.787SS**  trans-121.4105.3-178.7-72.2-63.6160.500110.8S466 I470S466-E468 VanDerWaalsContact C-N 3.33Å; S466-E468 PolarHBondContact O-N 3.33Å; E468-I470 VanDerWaalsContact C-N 3.29Å; E468-I470 PolarHBondContact O-N 2.84Å
469R45.8Very low33.4Very low251 Ų251151.7 Ų151.795%0.94779%0.793SS**  trans-84.966.3179-72.3-170.8-177.7172.32.2111.8
470I41.1Very low33.3Very low134 Ų134152.6 Ų152.669%0.68779%0.792SS**  trans-103.7114.9172.5-55.9176.6000108.7E468E468-I470 VanDerWaalsContact C-N 3.29Å; E468-I470 PolarHBondContact O-N 2.84Å
471P36.6Very low33.5Very low107 Ų107153.5 Ų153.570%0.69579%0.791SS**PPolyproline II helixtrans-72.1140.6171.530.3-32.9000110.2
472P31.2Very low33.1Very low115 Ų115157.4 Ų157.475%0.74780%0.796SS**PPolyproline II helixtrans-72.1145.9-177.729.7-35.1000112.3
473I33.2Very low32.8Very low158 Ų158160.8 Ų160.881%0.8179%0.791SS**PPolyproline II helixtrans-75140166.8-62.9168.1000108.2E475I473-E475 HydrophobicContact CG2-CG 4.44Å
474I33Very low32.7Very low156 Ų156158.9 Ų158.980%0.879%0.789SS**  trans-117115.2170.7-62176.5000107.9
475E31.5Very low32.4Very low173 Ų173153.2 Ų153.281%0.80878%0.783SS**  trans-103.3134.3161.5-68.4-175.5112.800108.6I473I473-E475 HydrophobicContact CG2-CG 4.44Å
476E30.4Very low32.3Very low173 Ų173153.6 Ų153.681%0.80878%0.779SS**  178.5124.7127-92-123.974.700113.1
477S27.2Very low32.1Very low85 Ų85154.7 Ų154.759%0.59478%0.783SS**  53.693.7123.7-51.70000122.6
478S26.2Very low31.4Very low110 Ų110151.6 Ų151.677%0.76977%0.77SS**  60.6126.6121.268.40000123.3
479S25.2Very low30.7Very low120 Ų120150.7 Ų150.784%0.83978%0.775SS**  -160.2162129.448.90000112.7
480H27.1Very low29.8Very low180 Ų180145 Ų14583%0.83376%0.759SS**  trans-99.2-170.3-167.8-74.377.9000112.4
481P37.6Very low29.3Very low98 Ų98148 Ų14864%0.63676%0.762SS**  -134.4172.3-59.339-24.6000113.2
482Y25.2Very low28.8Very low244 Ų244151.9 Ų151.996%0.95777%0.771SS**  trans-139.7155.2155-92.4-80.1000112.1
483R24.5Very low28.9Very low203 Ų203154 Ų15477%0.76678%0.775SS**  trans-121.5161.7-170.9-76.1-172.4174.7-176.1-0.1113.3
484F28.8Very low28.6Very low184 Ų184153.7 Ų153.781%0.80778%0.78SS**  trans72.5153.9164-58.7-65.5000115.7
485S25.2Very low28.4Very low114 Ų114157.7 Ų157.780%0.79779%0.785SS**  cis-133.3168.97.963.10000113.6
486R27.7Very low28.1Very low212 Ų212153.2 Ų153.280%0.879%0.785SS**  trans-135143.2176-159.7-163-163.2-167.612.7107.7T488R486-T488 WeakPolarHBondContact CD-OG1 3.27Å
487P30.8Very low28.1Very low124 Ų124149 Ų14981%0.80578%0.78SS**  trans-101.8158.8151.9-11.730.4000111.6
488T27.4Very low28.1Very low95 Ų95152.3 Ų152.358%0.58379%0.791SS**  trans-153.1126.7-179.7-53.60000111.6R486R486-T488 WeakPolarHBondContact CD-OG1 3.27Å
489T28.3Very low28.1Very low128 Ų128156.6 Ų156.679%0.78579%0.792SS**  trans-154.2125.315628.10000105.2
490E28.1Very low28.3Very low132 Ų132157.3 Ų157.362%0.61779%0.785SS**  62.4132.567-65-140.912000113.1
491R30.3Very low28.5Very low197 Ų197159.4 Ų159.474%0.74379%0.785SS**  cis-165.5155.6-8-127177.1174.7149.7-12.4106.9
492H26.8Very low27.9Very low189 Ų189158.1 Ų158.188%0.87579%0.79SS**  trans176164.8130.5-104.3-82.1000112.1
493L31.3Very low28Very low160 Ų160152.1 Ų152.184%0.83878%0.784SS**  trans-117.9147.4-168.8-61.2148000111
494V27.8Very low28.1Very low150 Ų150152.7 Ų152.791%0.90979%0.786SS**  trans-145.8142.2134.7166.60000108.6
495R28.1Very low28Very low240 Ų240149.8 Ų149.891%0.90679%0.787SS**  trans-94.2136.4172.2168.7-165.4-80.1-166.4-5.4109.2
496G27.1Very low28.1Very low79 Ų79153.3 Ų153.381%0.81479%0.785SS**  trans-148.4125.8166.100000110.8
497A28.4Very low28.1Very low86 Ų86149.4 Ų149.471%0.71178%0.784SS**  trans-148.1132.1174.200000108.4
498D27.5Very low27.9Very low153 Ų153150.7 Ų150.782%0.81878%0.784SS**  trans177.1157.7165.6-86-26.5000105.7
499Y26.9Very low28Very low200 Ų200150.5 Ų150.578%0.78479%0.787SS**  cis174127.5-41.7-116.6-54.7000104.9
500I29.7Very low28.1Very low135 Ų135151.2 Ų151.269%0.69279%0.786SS**  trans69.8153.3169-42.6173.8000113.2
501R30.7Very low28.1Very low224 Ų224153 Ų15385%0.84580%0.799SS**  cis-135.4157.3-2.9-136.9158.9-78.5-132.1-3.9105.9
502G25.3Very low28Very low72 Ų72152.6 Ų152.674%0.74281%0.805SS**  cis120.28411.300000111.3
503S27.5Very low28Very low118 Ų118148.8 Ų148.883%0.82580%0.799SS**  trans-135.2121.7169.849.80000110.6
504R26.3Very low27.8Very low214 Ų214147 Ų14781%0.80880%0.8SS**  trans-103.2119171.4-72.6-178.1175.6-173.2-1108.4
505C26.7Very low27.7Very low124 Ų124144.2 Ų144.284%0.83879%0.793SS**  trans-92.6115.9163-63.70000108.1
506Y28.2Very low27.7Very low188 Ų188139.1 Ų139.174%0.73779%0.789SS**  trans-70.2135.4172.7-90.6-102.9000109.9
507V27.8Very low27.9Very low130 Ų130142.8 Ų142.879%0.78879%0.788SS**  trans-84.1113.5162.2177.30000106.9
508N25.7Very low27.9Very low150 Ų150144.5 Ų144.580%0.80279%0.792SS**  trans-90.5124.9160.1-88-0.7000108.3
509S29.3Very low27.6Very low92 Ų92145.7 Ų145.764%0.64379%0.79SS**  trans-75-180159.1-59.80000110.2
510D29.7Very low27.6Very low142 Ų142145.4 Ų145.476%0.75980%0.796SS**  trans69.891.2165-50.1-27.7000116.8
511L28.5Very low27.5Very low170 Ų170146.6 Ų146.689%0.8980%0.798SS**  trans-128.575.6152.5-79.9179.2000110.6
512H29.2Very low27.2Very low188 Ų188144.6 Ų144.687%0.8780%0.799SS**  trans-78.9122.9148.4-77.3-80.4000108
513S26.9Very low27.3Very low109 Ų109145 Ų14576%0.76280%0.803SS**  trans-139.187.9171.462.40000111.5
514S26.3Very low27.2Very low123 Ų123145.2 Ų145.286%0.8680%0.8SS**  trans-74.4144.2162.7-63.40000110
515A26.7Very low27.4Very low92 Ų92145.4 Ų145.476%0.7681%0.806SS**  trans-29.8140.8-177.300000118.6
516T27.9Very low27.4Very low133 Ų133149.3 Ų149.382%0.81681%0.809SS**  -176.7142.3109.9-71.60000110.4
517I31.5Very low27.4Very low156 Ų156150.3 Ų150.380%0.882%0.817SS**  trans-111.9130.7178.6-63.2167.6000109.6
518P27.7Very low27.3Very low121 Ų121150.2 Ų150.279%0.78682%0.822SS**  trans-88.8143.7157.333.6-28.9000111.5
519F21.9Very low27.2Very low179 Ų179146 Ų14679%0.78581%0.814SS**  trans-83143.2-173.2-172.2-91.7000112.1E521F519-E521 HydrophobicContact CE1-CB 4.21Å; F519-E521 HydrophobicContact CE1-CG 4.24Å
520Q26Very low27Very low193 Ų193147.7 Ų147.790%0.90283%0.826SS**  trans-146.2147.7160.2-161.1164.229.800111.2
521E27.1Very low26.8Very low160 Ų160146 Ų14675%0.74883%0.825SS**  trans-106.2-178.1-156.6-155.7165.7-172.600113.5F519F519-E521 HydrophobicContact CE1-CB 4.21Å; F519-E521 HydrophobicContact CE1-CG 4.24Å
522E25.6Very low26.8Very low182 Ų182142.8 Ų142.885%0.8582%0.823SS**  trans-66.6153.8-163.1-58.6-169115.400116.7
523G27.2Very low26.6Very low80 Ų80139.9 Ų139.983%0.82582%0.818SS**  trans-154.196169.400000112.7
524T25.9Very low26.9Very low124 Ų124145.3 Ų145.376%0.76183%0.828SS**  trans-86141.3-177.156.30000113.4
525K29.9Very low26.8Very low217 Ų217144.3 Ų144.394%0.94382%0.821SS**  trans-162.7170.5154.8-111.9146.8-169.2170.50114.3
526K27.5Very low26.9Very low206 Ų206145.6 Ų145.690%0.89683%0.825SS**  trans-91.5158.5-156.7-77.7177.6175.2174.30115.7
527K26.2Very low26.8Very low210 Ų210144.3 Ų144.391%0.91382%0.821SS**  trans-35.2143.2166-54.4176.2178.3-177.40116
528S25.8Very low26.7Very low128 Ų128143.3 Ų143.390%0.89582%0.823SS**  trans-127176137.660.10000108.1
529G23.8Very low26.8Very low60 Ų60145.5 Ų145.562%0.61982%0.822SS**  trans-161.5175.7-174.100000115.5
530S25.1Very low27.2Very low128 Ų128142.2 Ų142.290%0.89582%0.819SS**  trans64.7147.2-16378.10000113.2
531S26Very low27.7Very low108 Ų108135.7 Ų135.776%0.75580%0.795SS**  cis-140172.520.755.70000112.6
532A28.6Very low28.4Very low101 Ų101133 Ų13384%0.83579%0.785SS**  trans-88.7132.3-178.800000112.5
533T26.2Very low29.2Very low127 Ų127126.6 Ų126.678%0.77976%0.756SS**  trans-129.2124.2163.740.10000109.6S535T533-S535 PolarHBondContact O-N 3.23Å
534K32.4Very low29.8Very low223 Ų223127.1 Ų127.197%0.9774%0.743SS**  trans-76.5105.8172.3-73.2-177.9175-177.80109
535S25Very low30.6Very low102 Ų102123.3 Ų123.371%0.71372%0.722SS**  trans-105.8123.1161.948.50000109.2T533 S537T533-S535 PolarHBondContact O-N 3.23Å; S535-S537 PolarHBondContact O-N 3.3Å
536S28.2Very low31.3Very low119 Ų119116.7 Ų116.783%0.83269%0.691SS**  trans-76.489.4172.753.30000109.1T538S536-T538 PolarHBondContact O-N 3.41Å; S536-T538 VanDerWaalsContact O-N 3.15Å
537S25.3Very low32.2Very low106 Ų106108.3 Ų108.374%0.74166%0.655SS**  trans-67.7106.8173.350.80000110S535 E539S535-S537 PolarHBondContact O-N 3.3Å; S537-E539 PolarHBondContact O-N 2.95Å
538T29.9Very low32.8Very low136 Ų136102.7 Ų102.783%0.83464%0.638SS**  trans-58.4125.3170.8-37.50000109.5S536S536-T538 PolarHBondContact O-N 3.41Å; S536-T538 VanDerWaalsContact O-N 3.15Å
539E28.5Very low33.8Very low166 Ų16698.9 Ų98.978%0.77660%0.604SS**  trans-58.3130.3179.4-60.6172.712800111.2S537 S541S537-E539 PolarHBondContact O-N 2.95Å; E539-S541 VanDerWaalsContact C-N 3.33Å; E539-S541 PolarHBondContact O-N 2.89Å
540P31Very low34.6Very low110 Ų11096.6 Ų96.671%0.71458%0.577SS**  trans-70.896.3159.430.2-30.1000107.2L542P540-L542 PolarHBondContact O-N 3.04Å
541S36.5Very low35Very low57 Ų5797.6 Ų97.640%0.39957%0.565SS.*  trans-48.7132.1-166.158.40000113.9E539 L543 V544E539-S541 VanDerWaalsContact C-N 3.33Å; E539-S541 PolarHBondContact O-N 2.89Å; S541-L543 PolarHBondContact O-N 2.99Å; S541-V544 PolarHBondContact O-N 3.24Å
542L41.3Very low35.5Very low103 Ų10397.2 Ų97.254%0.53955%0.554SS.*THydrogen-bonded Turntrans-46.1-33.4-178.1-64.1168.4000113.5P540 V544 S545 W546P540-L542 PolarHBondContact O-N 3.04Å; L542-V544 PolarHBondContact O-N 2.97Å; L542-V544 VanDerWaalsContact O-N 3.16Å; L542-S545 WeakPolarHBondContact O-CB 3.37Å; L542-S545 PolarHBondContact O-N 2.56Å; L542-S545 VanDerWaalsContact O-N 3.09Å; L542-W546 PolarHBondContact O-N 2.83Å
543L42.8Very low35.8Very low47 Ų4796.8 Ų96.825%0.24654%0.538CS..Hα-helixtrans-45.7-40.8171.5-65.5173.6000113.7L121 V125 S541 S545 W546 F547L121-L543 HydrophobicContact CD1-CD1 4.23Å; V125-L543 HydrophobicContact CG2-CD2 4.05Å; S541-L543 PolarHBondContact O-N 2.99Å; L543-S545 PolarHBondContact O-N 3.34Å; L543-W546 PolarHBondContact O-N 3.18Å; L543-F547 HydrophobicContact CB-CD2 4.08Å; L543-F547 HydrophobicContact CB-CE2 3.65Å; L543-F547 HydrophobicContact CB-CZ 4.18Å; L543-F547 HydrophobicContact CD2-CE2 4.43Å; L543-F547 HydrophobicContact CD2-CZ 4.11Å; L543-F547 HydrophobicContact CG-CE2 4.46Å; L543-F547 WeakPolarHBondContact O-CB 3.2Å; L543-F547 WeakPolarHBondContact O-CD2 3.26Å; L543-F547 WeakPolarHBondContact O-CG 3.3Å; L543-F547 PolarHBondContact O-N 3.19Å
544V39.9Very low36Very low91 Ų9194.1 Ų94.155%0.55252%0.521SS*.Hα-helixtrans-68.1-35.5-177.6-178.20000112S541 L542S541-V544 PolarHBondContact O-N 3.24Å; L542-V544 PolarHBondContact O-N 2.97Å; L542-V544 VanDerWaalsContact O-N 3.16Å
545S42.4Very low35.9Very low44 Ų4494.8 Ų94.831%0.30853%0.527SS..Hα-helixtrans-64.2-41.8172.8-176.50000111.3E60 L542 L543 T548E60-S545 WeakPolarHBondContact OE2-CB 3.44Å; E60-S545 PolarHBondContact OE2-OG 3.36Å; L542-S545 WeakPolarHBondContact O-CB 3.37Å; L542-S545 PolarHBondContact O-N 2.56Å; L542-S545 VanDerWaalsContact O-N 3.09Å; L543-S545 PolarHBondContact O-N 3.34Å; S545-T548 PolarHBondContact O-OG1 2.96Å; S545-T548 VanDerWaalsContact O-OG1 3.07Å
546W44.3Very low36.4Very low79 Ų7994.4 Ų94.430%0.29952%0.518SS..Hα-helixtrans-70.4-35.7178.9-177-88.8000113.4K132 L542 L543 R549 L550K132-W546 HydrophobicContact CD-CZ2 4.16Å; L542-W546 PolarHBondContact O-N 2.83Å; L543-W546 PolarHBondContact O-N 3.18Å; W546-R549 PolarHBondContact O-N 3.42Å; W546-L550 PolarHBondContact O-N 2.77Å
547F46.4Very low36.8Very low30 Ų3093.1 Ų93.113%0.13250%0.502CS..Hα-helixtrans-77.2-25.9-171.5-70-35.1000115.4T164 V167 Q168 L543 R549T164-F547 HydrophobicContact CG2-CD1 3.46Å; T164-F547 VanDerWaalsContact CG2-CD1 3.46Å; T164-F547 HydrophobicContact CG2-CE1 3.61Å; T164-F547 HydrophobicContact CG2-CG 4.26Å; T164-F547 HydrophobicContact CG2-CZ 4.48Å; V167-F547 HydrophobicContact CG2-CZ 4.05Å; Q168-F547 HydrophobicContact CG-CD2 3.88Å; Q168-F547 HydrophobicContact CG-CE2 3.54Å; Q168-F547 HydrophobicContact CG-CZ 4.08Å; L543-F547 HydrophobicContact CB-CD2 4.08Å; L543-F547 HydrophobicContact CB-CE2 3.65Å; L543-F547 HydrophobicContact CB-CZ 4.18Å; L543-F547 HydrophobicContact CD2-CE2 4.43Å; L543-F547 HydrophobicContact CD2-CZ 4.11Å; L543-F547 HydrophobicContact CG-CE2 4.46Å; L543-F547 WeakPolarHBondContact O-CB 3.2Å; L543-F547 WeakPolarHBondContact O-CD2 3.26Å; L543-F547 WeakPolarHBondContact O-CG 3.3Å; L543-F547 PolarHBondContact O-N 3.19Å; F547-R549 VanDerWaalsContact C-N 3.35Å
548T40.3Very low37.5Very low91 Ų9192.4 Ų92.456%0.55849%0.488SS*.Hα-helixtrans-66.4-39.4169.444.20000111S545 L550 K551S545-T548 PolarHBondContact O-OG1 2.96Å; S545-T548 VanDerWaalsContact O-OG1 3.07Å; T548-L550 PolarHBondContact O-N 3.44Å; T548-K551 PolarHBondContact O-N 3.2Å
549R45.9Very low37.9Very low49 Ų4989.8 Ų89.819%0.18547%0.468CS..Hα-helixtrans-63.9-38.1179.7-58.4178.5176.5-118.321.7112.8E64 Y231 W546 F547 K551 L552E64-R549 IonicContact OE1-CZ 2.73Å; E64-R549 IonicContact OE1-NH1 3.72Å; E64-R549 PolarHBondContact OE1-NH1 3.15Å; E64-R549 IonicContact OE1-NH2 3.85Å; E64-R549 IonicContact OE2-CZ 2.68Å; E64-R549 IonicContact OE2-NH1 4Å; E64-R549 PolarHBondContact OE2-NH1 3.05Å; E64-R549 IonicContact OE2-NH2 3.26Å; E64-R549 PolarHBondContact OE2-NH2 3.07Å; Y231-R549 HydrophobicContact CE1-CB 4.1Å; Y231-R549 HydrophobicContact CE1-CG 3.82Å; Y231-R549 PolarHBondContact OH-NH1 2.96Å; W546-R549 PolarHBondContact O-N 3.42Å; F547-R549 VanDerWaalsContact C-N 3.35Å; R549-K551 PolarHBondContact O-N 3.14Å; R549-L552 PolarHBondContact O-N 3.15Å
550L40Very low38.5Very low12 Ų1285.1 Ų85.16%0.06345%0.449CS..Hα-helixtrans-63.7-25.4-179.6-15876.1000113.4L161 T164 W546 T548 L552 L553L161-L550 HydrophobicContact CD2-CD2 3.91Å; L161-L550 HydrophobicContact CD2-CG 4.08Å; L161-L550 HydrophobicContact CG-CD2 4.48Å; T164-L550 HydrophobicContact CG2-CD2 3.85Å; T164-L550 WeakPolarHBondContact OG1-CD2 3.38Å; W546-L550 PolarHBondContact O-N 2.77Å; T548-L550 PolarHBondContact O-N 3.44Å; L550-L552 VanDerWaalsContact C-N 3.32Å; L550-L553 HydrophobicContact CD1-CD1 4.29Å
551K34.2Very low39Very low148 Ų14883.4 Ų83.464%0.64343%0.431SS*.G310 helixtrans-75.8-15.2174.2-73.1-176.3175.1178.60114.1T548 R549 T554T548-K551 PolarHBondContact O-N 3.2Å; R549-K551 PolarHBondContact O-N 3.14Å; K551-T554 PolarHBondContact O-OG1 3.27Å; K551-T554 VanDerWaalsContact O-OG1 3.12Å
552L37.3Very low39.2Very low100 Ų10085.3 Ų85.352%0.52443%0.433SS..G310 helixtrans-85.5-14179.5-65.6171.6000112.8Y231 R549 L550 T554Y231-L552 HydrophobicContact CE2-CD1 4.36Å; R549-L552 PolarHBondContact O-N 3.15Å; L550-L552 VanDerWaalsContact C-N 3.32Å; L552-T554 PolarHBondContact O-N 3.26Å
553L34.8Very low39Very low92 Ų9283.9 Ų83.948%0.48243%0.425SS..G310 helixtrans-78.68.8175.7-71.2168.4000114.1L550L550-L553 HydrophobicContact CD1-CD1 4.29Å
554T30.2Very low38.7Very low72 Ų7287 Ų8744%0.44244%0.44SS..G310 helixtrans-109.516.2179.263.40000114L161 K551 L552L161-T554 HydrophobicContact CD1-CG2 4.07Å; K551-T554 PolarHBondContact O-OG1 3.27Å; K551-T554 VanDerWaalsContact O-OG1 3.12Å; L552-T554 PolarHBondContact O-N 3.26Å
555H28.9Very low38.6Very low236 Ų23686.6 Ų86.6100%1.09343%0.43SS*.  trans-135.80178.8-75.1-60.3000112.2

Retrieved 555 of 555 residues in 933 ms (Link to these results)

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