A0A096NS21_PAPAN Loading...

NME/NM23 family member 9

AlphaFold DB , UniProt , Accession A0A096NS21, Species PAPAN (Papio anubis, Olive baboon), Gene NME9, Length 330 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.2Very low41.3Very low247 Ų247142.1 Ų142.1100%1.21774%0.736SS**  0104.60-63.6-167.9-152.600107.1S3M1-S3 PolarHBondContact O-N 3.07Å
2G32.9Very low44.4Very low78 Ų78134.8 Ų134.880%0.80470%0.703SS**  trans-76.1118.3-179.500000109.6R4G2-R4 PolarHBondContact O-N 3.06Å; G2-R4 VanDerWaalsContact O-N 3.1Å
3S33.8Very low47.2Very low118 Ų118130.1 Ų130.183%0.82568%0.679SS**  trans-52.8115.8171.5-61.90000109.1M1 K5M1-S3 PolarHBondContact O-N 3.07Å; S3-K5 PolarHBondContact O-N 3.18Å
4R32.5Very low49.6Very low242 Ų242120.9 Ų120.991%0.91363%0.63SS**  trans-60106.2168-74.6-179.3-172.7172.21.8106.6G2 K6G2-R4 PolarHBondContact O-N 3.06Å; G2-R4 VanDerWaalsContact O-N 3.1Å; R4-K6 PolarHBondContact O-N 2.89Å
5K32.3Very low51.2Low200 Ų200115.9 Ų115.987%0.8761%0.61SS**  trans-54.6110.3161.2-82.4179.9172.7-179.10105.5S3 E7S3-K5 PolarHBondContact O-N 3.18Å; K5-E7 PolarHBondContact O-N 3.4Å
6K30.1Very low52.8Low195 Ų195112.8 Ų112.885%0.84860%0.597SS**  trans-58.6110.6165.4-85.3-179.9172.2-178.20105.4R4 I8R4-K6 PolarHBondContact O-N 2.89Å; K6-I8 PolarHBondContact O-N 2.94Å
7E32.8Very low54.1Low190 Ų190110.4 Ų110.489%0.88858%0.582SS**  trans-55114.3161.4-83175.3146.400106.1K5 A9K5-E7 PolarHBondContact O-N 3.4Å; E7-A9 PolarHBondContact O-N 3.42Å; E7-A9 VanDerWaalsContact O-N 3.12Å
8I41.5Very low55.5Low114 Ų114113.1 Ų113.159%0.58559%0.591SS**  trans-65113.6172.4-64.2168.6000104.4K6 L10K6-I8 PolarHBondContact O-N 2.94Å; I8-L10 PolarHBondContact O-N 2.82Å
9A51.4Low56.7Low77 Ų77109.2 Ų109.264%0.63657%0.571SS**  trans-55.8114.3172.400000107.5E7 Q11E7-A9 PolarHBondContact O-N 3.42Å; E7-A9 VanDerWaalsContact O-N 3.12Å; A9-Q11 PolarHBondContact O-N 3.35Å
10L63Low57.9Low64 Ų64104.4 Ų104.434%0.33555%0.545SS..SBendtrans-73.5-14-170.4-74.4160.3000112.4I8 Q50 R53I8-L10 PolarHBondContact O-N 2.82Å; L10-Q50 HydrophobicContact CB-CG 4.44Å; L10-Q50 HydrophobicContact CD1-CG 3.8Å; L10-R53 VanDerWaalsContact C-NH1 3.33Å; L10-R53 VanDerWaalsContact CA-NH1 3.28Å; L10-R53 PolarHBondContact O-NH1 3.34Å
11Q69.9Low59Low38 Ų38104.8 Ų104.818%0.17854%0.544CS..SBendtrans-136.2139.5178.3-66.6174-1600109.2A9 F63 L65A9-Q11 PolarHBondContact O-N 3.35Å; Q11-F63 WeakPolarHBondContact CA-O 3.23Å; Q11-F63 HydrophobicContact CG-CB 3.96Å; Q11-L65 HydrophobicContact CB-CD1 4.4Å; Q11-L65 HydrophobicContact CB-CG 4.22Å
12V78.6Confident61.2Low55 Ų5599.2 Ų99.233%0.33352%0.515SS..EExtended strand (participates in β ladder)trans-94.7126.7174.8-178.60000108.7I14 L19 M23 F63 A64 L65V12-I14 PolarHBondContact O-N 3.01Å; V12-L19 HydrophobicContact CG1-CD1 4.35Å; V12-L19 HydrophobicContact CG1-CD2 4.19Å; V12-L19 HydrophobicContact CG1-CG 4.46Å; V12-M23 HydrophobicContact CB-CE 4.34Å; V12-M23 HydrophobicContact CB-SD 4.06Å; V12-M23 HydrophobicContact CG1-CG 4.42Å; V12-M23 HydrophobicContact CG1-SD 4.01Å; V12-M23 HydrophobicContact CG2-CE 4.27Å; V12-M23 HydrophobicContact CG2-SD 4Å; V12-F63 PolarHBondContact N-O 3.4Å; V12-A64 CarbonylContact O-C 3.38Å; V12-A64 VanDerWaalsContact O-CA 3.24Å; V12-A64 WeakPolarHBondContact O-CA 3.34Å; V12-L65 PolarHBondContact O-N 3.19Å
13N80.1Confident63.5Low73 Ų7396.2 Ų96.239%0.3948%0.48SS..EExtended strand (participates in β ladder)trans-86113174.2-172.6-67.1000109.4L19 Y35N13-L19 WeakPolarHBondContact O-CD2 3.39Å; N13-Y35 PolarHBondContact ND2-OH 2.79Å
14I81.9Confident65.7Low1 Ų191.8 Ų91.81%0.00545%0.447CS..EExtended strand (participates in β ladder)trans-87.6111176.2-53.1176.7000108.3V12 L19 W20 M23 A64 L65 A66 L71V12-I14 PolarHBondContact O-N 3.01Å; I14-L19 HydrophobicContact CG1-CG 4.48Å; I14-L19 HydrophobicContact CG2-CB 4.35Å; I14-L19 HydrophobicContact CG2-CG 4.49Å; I14-W20 HydrophobicContact CD1-CE3 3.94Å; I14-W20 HydrophobicContact CD1-CZ3 4.48Å; I14-W20 HydrophobicContact CG2-CB 3.89Å; I14-W20 HydrophobicContact CG2-CE3 4.18Å; I14-M23 HydrophobicContact CD1-CB 4.06Å; I14-M23 HydrophobicContact CD1-CG 3.98Å; I14-M23 HydrophobicContact CG1-CG 4.2Å; I14-A64 HydrophobicContact CD1-CB 3.5Å; I14-A64 VanDerWaalsContact CD1-CB 3.5Å; I14-A64 HydrophobicContact CG1-CB 3.96Å; I14-L65 PolarHBondContact N-O 3.07Å; I14-A66 HydrophobicContact CB-CB 4.47Å; I14-L71 HydrophobicContact CG2-CD1 4.09Å
15S73.6Confident67.9Low46 Ų4685.2 Ų85.232%0.32244%0.438SS..  trans-122.8-1.5179.3540000113.5
16T76.3Confident70.1Confident66 Ų6677.2 Ų77.241%0.40541%0.407SS..SBendtrans-139.3153.9179.2620000110.8E18 L19 W20T16-E18 VanDerWaalsContact C-N 3.33Å; T16-E18 PolarHBondContact O-N 3.14Å; T16-L19 PolarHBondContact O-N 3.1Å; T16-L19 WeakPolarHBondContact OG1-CB 3.31Å; T16-L19 PolarHBondContact OG1-N 2.85Å; T16-W20 PolarHBondContact O-N 3.42Å; T16-W20 VanDerWaalsContact O-N 3.16Å
17Q75Confident72.5Confident73 Ų7374.6 Ų74.634%0.34140%0.396SS..Hα-helixtrans-63-36.9177.7-172.964.518.900112.6L19 W20 E21Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.14Å; Q17-W20 VanDerWaalsContact O-CB 3.3Å; Q17-W20 WeakPolarHBondContact O-CB 3.41Å; Q17-W20 PolarHBondContact O-N 3.38Å; Q17-E21 PolarHBondContact O-N 2.83Å
18E78.5Confident74.9Confident158 Ų15865.6 Ų65.674%0.73835%0.354SS*.Hα-helixtrans-60.4-42177.3-63.7172.1176.500111.6T16 W20 E21 E22T16-E18 VanDerWaalsContact C-N 3.33Å; T16-E18 PolarHBondContact O-N 3.14Å; E18-W20 VanDerWaalsContact C-N 3.33Å; E18-E21 PolarHBondContact O-N 3.25Å; E18-E22 PolarHBondContact O-N 3.12Å
19L79.8Confident77Confident40 Ų4060.1 Ų60.121%0.20933%0.326CS..Hα-helixtrans-72.6-29.9179.1-172.660.1000111.7V12 N13 I14 T16 Q17 M23V12-L19 HydrophobicContact CG1-CD1 4.35Å; V12-L19 HydrophobicContact CG1-CD2 4.19Å; V12-L19 HydrophobicContact CG1-CG 4.46Å; N13-L19 WeakPolarHBondContact O-CD2 3.39Å; I14-L19 HydrophobicContact CG1-CG 4.48Å; I14-L19 HydrophobicContact CG2-CB 4.35Å; I14-L19 HydrophobicContact CG2-CG 4.49Å; T16-L19 PolarHBondContact O-N 3.1Å; T16-L19 WeakPolarHBondContact OG1-CB 3.31Å; T16-L19 PolarHBondContact OG1-N 2.85Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.14Å; L19-M23 WeakPolarHBondContact O-CB 3.12Å; L19-M23 WeakPolarHBondContact O-CG 3.47Å; L19-M23 PolarHBondContact O-N 3.02Å
20W80.5Confident78.7Confident13 Ų1356.6 Ų56.65%0.04930%0.296CS..Hα-helixtrans-60.6-51.3170.9177.9-92.6000110.9I14 T16 Q17 E18 E22 M23 L24 V32 A66 L71 V73 L74 L86 Y88I14-W20 HydrophobicContact CD1-CE3 3.94Å; I14-W20 HydrophobicContact CD1-CZ3 4.48Å; I14-W20 HydrophobicContact CG2-CB 3.89Å; I14-W20 HydrophobicContact CG2-CE3 4.18Å; T16-W20 PolarHBondContact O-N 3.42Å; T16-W20 VanDerWaalsContact O-N 3.16Å; Q17-W20 VanDerWaalsContact O-CB 3.3Å; Q17-W20 WeakPolarHBondContact O-CB 3.41Å; Q17-W20 PolarHBondContact O-N 3.38Å; E18-W20 VanDerWaalsContact C-N 3.33Å; W20-E22 PolarHBondContact O-N 3.32Å; W20-M23 PolarHBondContact O-N 3.37Å; W20-L24 HydrophobicContact CZ2-CD1 4.31Å; W20-L24 WeakPolarHBondContact O-CG 3.3Å; W20-L24 PolarHBondContact O-N 3.44Å; W20-V32 HydrophobicContact CH2-CG1 4.32Å; W20-V32 HydrophobicContact CH2-CG2 4.37Å; W20-V32 HydrophobicContact CZ3-CG1 3.81Å; W20-V32 HydrophobicContact CZ3-CG2 4.28Å; W20-A66 HydrophobicContact CZ3-CB 4.04Å; W20-L71 HydrophobicContact CE3-CD1 3.75Å; W20-L71 HydrophobicContact CZ3-CD1 4.15Å; W20-V73 HydrophobicContact CD2-CG2 4.34Å; W20-V73 HydrophobicContact CZ2-CG2 4.26Å; W20-L74 HydrophobicContact CH2-CD2 4.12Å; W20-L74 HydrophobicContact CZ3-CD1 4.18Å; W20-L86 HydrophobicContact CH2-CD1 4.29Å; W20-Y88 AromaticContact CH2-CE2 3.86Å; W20-Y88 HydrophobicContact CH2-CE2 3.86Å; W20-Y88 HydrophobicContact CZ2-CE1 4.46Å; W20-Y88 AromaticContact CZ2-CE2 3.86Å; W20-Y88 HydrophobicContact CZ2-CE2 3.86Å; W20-Y88 AromaticContact CZ2-CZ 3.67Å; W20-Y88 WeakPolarHBondContact CZ2-OH 3.44Å
21E80.8Confident79.9Confident112 Ų11253.5 Ų53.552%0.52328%0.28SS..Hα-helixtrans-63.5-38.9179.4-69.6173.9-168.800112.8Q17 E18 L24 S25Q17-E21 PolarHBondContact O-N 2.83Å; E18-E21 PolarHBondContact O-N 3.25Å; E21-L24 PolarHBondContact O-N 2.89Å; E21-S25 WeakPolarHBondContact O-CB 3.44Å; E21-S25 PolarHBondContact O-N 2.87Å; E21-S25 PolarHBondContact O-OG 2.84Å
22E79.9Confident80.7Confident131 Ų13151.8 Ų51.861%0.61227%0.272SS*.Hα-helixtrans-62.1-44.2174.5-173-178.1171.600111.7E18 W20 L24 S25 S26E18-E22 PolarHBondContact O-N 3.12Å; W20-E22 PolarHBondContact O-N 3.32Å; E22-L24 PolarHBondContact O-N 2.93Å; E22-S25 PolarHBondContact O-N 2.69Å; E22-S26 PolarHBondContact O-N 2.99Å; E22-S26 PolarHBondContact O-OG 3.46Å
23M80.9Confident81.1Confident15 Ų1549.2 Ų49.27%0.07426%0.256CS..Hα-helixtrans-68.5-33.8178.9-73.9-59.7-54.400112.7V12 I14 L19 W20 S26 T30 H62 A64V12-M23 HydrophobicContact CB-CE 4.34Å; V12-M23 HydrophobicContact CB-SD 4.06Å; V12-M23 HydrophobicContact CG1-CG 4.42Å; V12-M23 HydrophobicContact CG1-SD 4.01Å; V12-M23 HydrophobicContact CG2-CE 4.27Å; V12-M23 HydrophobicContact CG2-SD 4Å; I14-M23 HydrophobicContact CD1-CB 4.06Å; I14-M23 HydrophobicContact CD1-CG 3.98Å; I14-M23 HydrophobicContact CG1-CG 4.2Å; L19-M23 WeakPolarHBondContact O-CB 3.12Å; L19-M23 WeakPolarHBondContact O-CG 3.47Å; L19-M23 PolarHBondContact O-N 3.02Å; W20-M23 PolarHBondContact O-N 3.37Å; M23-S26 VanDerWaalsContact O-CB 3.31Å; M23-S26 WeakPolarHBondContact O-CB 3.22Å; M23-S26 PolarHBondContact O-N 3.32Å; M23-S26 PolarHBondContact O-OG 3.01Å; M23-T30 HydrophobicContact CE-CG2 4.17Å; M23-T30 PolarHBondContact O-OG1 2.96Å; M23-H62 HydrophobicContact CE-CB 4.03Å; M23-A64 HydrophobicContact CE-CB 4.34Å
24L80.4Confident81.3Confident25 Ų2546 Ų4613%0.13124%0.239CC..Hα-helixtrans-72.6-29.5174.1-71-165.7000112.9W20 E21 E22 S26 Y88 G91W20-L24 HydrophobicContact CZ2-CD1 4.31Å; W20-L24 WeakPolarHBondContact O-CG 3.3Å; W20-L24 PolarHBondContact O-N 3.44Å; E21-L24 PolarHBondContact O-N 2.89Å; E22-L24 PolarHBondContact O-N 2.93Å; L24-S26 PolarHBondContact O-N 2.82Å; L24-Y88 HydrophobicContact CD1-CD1 4.21Å; L24-Y88 HydrophobicContact CD1-CE1 4.22Å; L24-Y88 VanDerWaalsContact CD2-CB 3.45Å; L24-Y88 HydrophobicContact CD2-CD1 3.41Å; L24-Y88 VanDerWaalsContact CD2-CD1 3.41Å; L24-Y88 HydrophobicContact CD2-CD2 3.67Å; L24-Y88 HydrophobicContact CD2-CE1 4.02Å; L24-Y88 HydrophobicContact CD2-CE2 4.24Å; L24-Y88 HydrophobicContact CD2-CG 3.22Å; L24-Y88 HydrophobicContact CG-CD1 4.46Å; L24-G91 WeakPolarHBondContact O-CA 3.44Å; L24-G91 PolarHBondContact O-N 3.47Å; L24-G91 VanDerWaalsContact O-N 3.12Å
25S78.3Confident81.2Confident103 Ų10347.1 Ų47.172%0.7224%0.244SC*.THydrogen-bonded Turntrans-77.8-6175.3-58.70000113.3E21 E22E21-S25 WeakPolarHBondContact O-CB 3.44Å; E21-S25 PolarHBondContact O-N 2.87Å; E21-S25 PolarHBondContact O-OG 2.84Å; E22-S25 PolarHBondContact O-N 2.69Å
26S79.6Confident81.3Confident32 Ų3245.4 Ų45.422%0.22423%0.231CC..SBendtrans-70.6142.8178.7-64.80000111.3E22 M23 L24E22-S26 PolarHBondContact O-N 2.99Å; E22-S26 PolarHBondContact O-OG 3.46Å; M23-S26 VanDerWaalsContact O-CB 3.31Å; M23-S26 WeakPolarHBondContact O-CB 3.22Å; M23-S26 PolarHBondContact O-N 3.32Å; M23-S26 PolarHBondContact O-OG 3.01Å; L24-S26 PolarHBondContact O-N 2.82Å
27K79.8Confident80.8Confident141 Ų14144.1 Ų44.161%0.61323%0.23SC*.SBendtrans-73.3132.4-179.3-175.5-179.3179.3-178.30110.7H62K27-H62 PolarHBondContact O-CE1 2.89Å
28G83Confident80.5Confident0 Ų048.7 Ų48.70%025%0.245CC..SBendtrans103.3-157.6178.400000112.6L60G28-L60 WeakPolarHBondContact CA-O 3.35Å
29L86Confident79.7Confident0 Ų044.9 Ų44.90%024%0.235CC..EExtended strand (participates in β ladder)trans-95.4123.7-177.7-172.969.7000110.4V31 L60 L61 H62 F87 Y88 A89 V94 Q112 L113L29-V31 HydrophobicContact CD2-CG2 4.35Å; L29-V31 HydrophobicContact CG-CG2 4.36Å; L29-L60 PolarHBondContact N-O 2.79Å; L29-L61 HydrophobicContact CB-CD1 4.22Å; L29-L61 HydrophobicContact CD2-CD1 4.01Å; L29-L61 HydrophobicContact CG-CD1 4.32Å; L29-L61 WeakPolarHBondContact O-CA 3.38Å; L29-H62 PolarHBondContact O-N 3.44Å; L29-F87 HydrophobicContact CD1-CB 4.31Å; L29-F87 HydrophobicContact CD1-CD1 4.36Å; L29-F87 HydrophobicContact CD2-CD1 4.15Å; L29-F87 HydrophobicContact CG-CD1 4.5Å; L29-Y88 CarbonylContact C-O 3.52Å; L29-Y88 WeakPolarHBondContact CA-O 3.5Å; L29-A89 HydrophobicContact CD1-CB 4.2Å; L29-V94 HydrophobicContact CD1-CG2 3.91Å; L29-Q112 HydrophobicContact CD1-CB 3.86Å; L29-Q112 HydrophobicContact CD2-CB 3.78Å; L29-L113 HydrophobicContact CB-CD2 3.83Å; L29-L113 HydrophobicContact CB-CG 4.36Å; L29-L113 HydrophobicContact CD2-CD2 4.19Å; L29-L113 HydrophobicContact CD2-CG 3.8Å
30T87.3Confident78.9Confident2 Ų244.1 Ų44.11%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-106117.9173-63.60000109.3M23 V32 H62 F87 Y88M23-T30 HydrophobicContact CE-CG2 4.17Å; M23-T30 PolarHBondContact O-OG1 2.96Å; T30-V32 HydrophobicContact CG2-CG2 4.05Å; T30-H62 WeakPolarHBondContact CA-O 3.47Å; T30-H62 HydrophobicContact CG2-CB 4.44Å; T30-F87 WeakPolarHBondContact O-CA 3.36Å; T30-Y88 PolarHBondContact N-O 3.46Å; T30-Y88 PolarHBondContact O-N 2.71Å
31V87.4Confident78.4Confident0 Ų045.8 Ų45.80%025%0.249CC..EExtended strand (participates in β ladder)trans-102.2119.2175-174.40000108.5L29 F49 L61 H62 F63 A64 F85 L86 F87 I109L29-V31 HydrophobicContact CD2-CG2 4.35Å; L29-V31 HydrophobicContact CG-CG2 4.36Å; V31-F49 HydrophobicContact CG1-CE1 4.49Å; V31-F49 HydrophobicContact CG1-CZ 4.06Å; V31-L61 HydrophobicContact CG2-CD1 4.03Å; V31-H62 PolarHBondContact N-O 3.4Å; V31-F63 HydrophobicContact CB-CD1 3.75Å; V31-F63 HydrophobicContact CB-CE1 3.87Å; V31-F63 HydrophobicContact CG1-CD1 4.27Å; V31-F63 HydrophobicContact CG1-CE1 4.27Å; V31-F63 HydrophobicContact CG2-CD1 4.33Å; V31-F63 HydrophobicContact CG2-CE1 4Å; V31-F63 CarbonylContact O-C 3.55Å; V31-F63 WeakPolarHBondContact O-CA 3.48Å; V31-A64 PolarHBondContact O-N 3.46Å; V31-F85 HydrophobicContact CG1-CB 4.47Å; V31-L86 CarbonylContact C-O 3.58Å; V31-L86 WeakPolarHBondContact CA-O 3.41Å; V31-F87 HydrophobicContact CG1-CE1 4.25Å; V31-F87 HydrophobicContact CG1-CZ 4.23Å; V31-F87 HydrophobicContact CG2-CD1 3.79Å; V31-F87 HydrophobicContact CG2-CE1 3.82Å; V31-I109 HydrophobicContact CG2-CG1 4.19Å
32V87.5Confident77.6Confident1 Ų141.5 Ų41.51%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-107.1115.1-178.7-173.60000109.2W20 T30 V34 A64 A66 F85 L86 Y88W20-V32 HydrophobicContact CH2-CG1 4.32Å; W20-V32 HydrophobicContact CH2-CG2 4.37Å; W20-V32 HydrophobicContact CZ3-CG1 3.81Å; W20-V32 HydrophobicContact CZ3-CG2 4.28Å; T30-V32 HydrophobicContact CG2-CG2 4.05Å; V32-V34 HydrophobicContact CG1-CG2 4.18Å; V32-A64 CarbonylContact C-O 3.55Å; V32-A64 WeakPolarHBondContact CA-O 3.28Å; V32-A64 HydrophobicContact CG1-CB 4.45Å; V32-A64 HydrophobicContact CG2-CB 4.2Å; V32-A66 HydrophobicContact CG1-CB 3.44Å; V32-A66 VanDerWaalsContact CG1-CB 3.44Å; V32-F85 CarbonylContact O-C 3.59Å; V32-F85 VanDerWaalsContact O-CA 3.3Å; V32-F85 WeakPolarHBondContact O-CA 3.35Å; V32-L86 HydrophobicContact CB-CB 4.27Å; V32-L86 PolarHBondContact N-O 3.45Å; V32-L86 PolarHBondContact O-N 2.93Å; V32-Y88 HydrophobicContact CG2-CD2 3.98Å; V32-Y88 HydrophobicContact CG2-CE2 4.2Å
33D86.6Confident77.2Confident1 Ų143.7 Ų43.71%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-81.9111167.3179.913.6000109.1C42 A64 L65 A66 F85D33-C42 PolarHBondContact OD2-N 2.78Å; D33-A64 PolarHBondContact N-O 3.5Å; D33-L65 HydrophobicContact CB-CD2 3.74Å; D33-L65 WeakPolarHBondContact O-CA 3.38Å; D33-A66 PolarHBondContact O-N 3.4Å; D33-F85 HydrophobicContact CB-CD1 3.93Å; D33-F85 HydrophobicContact CB-CE1 3.79Å
34V84.4Confident76.4Confident6 Ų647.6 Ų47.64%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-90.9119.3178.9-179.70000109.2V32 A66 A68 L74 T84 L86V32-V34 HydrophobicContact CG1-CG2 4.18Å; V34-A66 WeakPolarHBondContact CA-O 3.39Å; V34-A68 HydrophobicContact CG1-CB 3.85Å; V34-L74 HydrophobicContact CG1-CD1 3.93Å; V34-L74 HydrophobicContact CG2-CD1 3.97Å; V34-L74 HydrophobicContact CG2-CD2 4.22Å; V34-T84 WeakPolarHBondContact CB-O 3.26Å; V34-T84 PolarHBondContact N-O 2.89Å; V34-L86 HydrophobicContact CG2-CD1 3.68Å; V34-L86 HydrophobicContact CG2-CG 3.93Å
35Y79.5Confident75.9Confident24 Ų2446.6 Ų46.69%0.09426%0.26CS..EExtended strand (participates in β ladder)trans-129.7157.4-179.372.5-84.9000112.1N13 G40 P41 L65 A66 E67 A68N13-Y35 PolarHBondContact ND2-OH 2.79Å; Y35-G40 WeakPolarHBondContact CB-O 3.37Å; Y35-P41 HydrophobicContact CD1-CB 4.08Å; Y35-P41 HydrophobicContact CE1-CB 4.45Å; Y35-P41 HydrophobicContact CG-CB 4.26Å; Y35-L65 HydrophobicContact CD1-CB 4.38Å; Y35-L65 HydrophobicContact CE1-CB 3.87Å; Y35-A66 VanDerWaalsContact CD1-O 3.29Å; Y35-A66 WeakPolarHBondContact CD1-O 3.25Å; Y35-A66 PolarHBondContact N-O 3.16Å; Y35-E67 HydrophobicContact CE1-CB 4.38Å; Y35-E67 HydrophobicContact CE2-CB 4.18Å; Y35-E67 HydrophobicContact CE2-CG 4.08Å; Y35-E67 WeakPolarHBondContact O-CA 3.41Å; Y35-E67 PolarHBondContact OH-OE2 3.03Å; Y35-A68 PolarHBondContact O-N 3.41Å
36Q75.6Confident75.6Confident10 Ų1043.4 Ų43.45%0.04724%0.236CC..  trans-89.1143.8172.8-53.5-65.6-65.400110.1W38 C39 G40 A68 Y77 K80Q36-W38 HydrophobicContact CB-CD2 4.48Å; Q36-W38 HydrophobicContact CB-CG 4.29Å; Q36-W38 VanDerWaalsContact CB-NE1 3.29Å; Q36-W38 HydrophobicContact CG-CZ2 4.5Å; Q36-W38 PolarHBondContact O-N 3.41Å; Q36-C39 HydrophobicContact CB-CB 4.37Å; Q36-C39 PolarHBondContact O-N 3.29Å; Q36-G40 PolarHBondContact O-N 3.41Å; Q36-A68 VanDerWaalsContact NE2-CB 3.32Å; Q36-Y77 PolarHBondContact NE2-O 2.83Å; Q36-K80 WeakPolarHBondContact CG-O 3.45Å
37G66.5Low75.3Confident39 Ų3945.6 Ų45.640%0.40225%0.252SS..THydrogen-bonded Turntrans-57.2-28.3-176.300000113.9D69G37-D69 PolarHBondContact N-OD2 3.01Å; G37-D69 VanDerWaalsContact N-OD2 3.14Å
38W67.9Low75.2Confident170 Ų17040 Ų4064%0.64423%0.228SC*.THydrogen-bonded Turntrans-83.9-20.3179.665.1-94.1000114.6Q36 C81Q36-W38 HydrophobicContact CB-CD2 4.48Å; Q36-W38 HydrophobicContact CB-CG 4.29Å; Q36-W38 VanDerWaalsContact CB-NE1 3.29Å; Q36-W38 HydrophobicContact CG-CZ2 4.5Å; Q36-W38 PolarHBondContact O-N 3.41Å; W38-C81 HydrophobicContact CH2-CB 4.37Å; W38-C81 WeakPolarHBondContact CH2-SG 3.48Å; W38-C81 VanDerWaalsContact CZ2-SG 3.59Å
39C61.2Low74.9Confident78 Ų7840.1 Ų40.153%0.52723%0.229SC..THydrogen-bonded Turntrans-99.7-27.7-178-173.60000112.2Q36Q36-C39 HydrophobicContact CB-CB 4.37Å; Q36-C39 PolarHBondContact O-N 3.29Å
40G63.4Low74.3Confident24 Ų2443.8 Ų43.825%0.24725%0.246CC..  trans70.8171.1-175.700000113Y35 Q36Y35-G40 WeakPolarHBondContact CB-O 3.37Å; Q36-G40 PolarHBondContact O-N 3.41Å
41P69.8Low73.8Confident48 Ų4849 Ų4931%0.31227%0.268SS..  trans-71.5156.5-175.629.7-35.9000112.3Y35 K43 L65Y35-P41 HydrophobicContact CD1-CB 4.08Å; Y35-P41 HydrophobicContact CE1-CB 4.45Å; Y35-P41 HydrophobicContact CG-CB 4.26Å; P41-K43 PolarHBondContact O-N 3.27Å; P41-L65 HydrophobicContact CB-CD1 4.11Å; P41-L65 HydrophobicContact CB-CD2 3.96Å; P41-L65 HydrophobicContact CG-CD1 4.25Å
42C64.4Low73.4Confident22 Ų2249.1 Ų49.115%0.14927%0.269CS..  trans-70.998-176.9-172.20000110.7D33 P44 V45 P83 F85D33-C42 PolarHBondContact OD2-N 2.78Å; C42-P44 VanDerWaalsContact C-CD 3.46Å; C42-V45 HydrophobicContact CB-CG2 3.72Å; C42-V45 WeakPolarHBondContact O-CG2 2.86Å; C42-V45 PolarHBondContact O-N 3.41Å; C42-P83 HydrophobicContact CB-CB 4.34Å; C42-F85 HydrophobicContact CB-CZ 4.37Å
43K72.6Confident72.8Confident177 Ų17750.4 Ų50.477%0.7727%0.274SS*.Hα-helixtrans-58.4-38.9-179.5-62.4179.7-176.9172.40114.5P41 V45 V46P41-K43 PolarHBondContact O-N 3.27Å; K43-V45 VanDerWaalsContact C-N 3.31Å; K43-V45 PolarHBondContact O-N 3.15Å; K43-V46 WeakPolarHBondContact O-CB 3.02Å; K43-V46 PolarHBondContact O-N 2.82Å
44P63.5Low72.2Confident96 Ų9656.9 Ų56.962%0.62331%0.307SS*.Hα-helixtrans-62.9-28.8-178.8-26.836.5000115.3C42 S47C42-P44 VanDerWaalsContact C-CD 3.46Å; P44-S47 PolarHBondContact O-OG 3.5Å
45V69.6Low71.8Confident4 Ų462.4 Ų62.42%0.02433%0.332CS..Hα-helixtrans-85.7-14.3-178.2-61.80000113.2C42 K43 S47 L48 F49 F85 L105C42-V45 HydrophobicContact CB-CG2 3.72Å; C42-V45 WeakPolarHBondContact O-CG2 2.86Å; C42-V45 PolarHBondContact O-N 3.41Å; K43-V45 VanDerWaalsContact C-N 3.31Å; K43-V45 PolarHBondContact O-N 3.15Å; V45-S47 VanDerWaalsContact C-N 3.33Å; V45-S47 PolarHBondContact O-N 3.03Å; V45-L48 WeakPolarHBondContact O-CB 3.18Å; V45-L48 PolarHBondContact O-N 3.44Å; V45-L48 VanDerWaalsContact O-N 3.14Å; V45-F49 HydrophobicContact CB-CE2 4.32Å; V45-F49 HydrophobicContact CB-CZ 4.31Å; V45-F49 HydrophobicContact CG2-CD2 4.43Å; V45-F49 HydrophobicContact CG2-CE2 3.95Å; V45-F49 HydrophobicContact CG2-CZ 4.29Å; V45-F49 WeakPolarHBondContact O-CG 3.44Å; V45-F49 PolarHBondContact O-N 2.76Å; V45-F85 HydrophobicContact CB-CE1 4.45Å; V45-F85 HydrophobicContact CB-CZ 4.23Å; V45-F85 HydrophobicContact CG1-CE1 4.47Å; V45-F85 HydrophobicContact CG1-CE2 4.45Å; V45-F85 HydrophobicContact CG1-CZ 3.78Å; V45-F85 HydrophobicContact CG2-CE1 3.75Å; V45-F85 HydrophobicContact CG2-CZ 3.75Å; V45-L105 HydrophobicContact CB-CD2 4.3Å; V45-L105 HydrophobicContact CG1-CD2 4.02Å
46V71.4Confident71.4Confident37 Ų3763 Ų6322%0.22434%0.338CS..Hα-helixtrans-58.5-44.9179.5179.20000111K43 L48 F49 Q50K43-V46 WeakPolarHBondContact O-CB 3.02Å; K43-V46 PolarHBondContact O-N 2.82Å; V46-L48 VanDerWaalsContact C-N 3.33Å; V46-L48 PolarHBondContact O-N 3.08Å; V46-F49 PolarHBondContact O-N 2.96Å; V46-Q50 HydrophobicContact CG1-CG 4.48Å; V46-Q50 VanDerWaalsContact O-CG 3.23Å; V46-Q50 WeakPolarHBondContact O-CG 3.35Å; V46-Q50 PolarHBondContact O-N 2.93Å
47S73.4Confident70.9Confident78 Ų7863.9 Ų63.955%0.54535%0.35SS..Hα-helixtrans-66.1-34.5178.647.70000113P44 V45 K51P44-S47 PolarHBondContact O-OG 3.5Å; V45-S47 VanDerWaalsContact C-N 3.33Å; V45-S47 PolarHBondContact O-N 3.03Å; S47-K51 WeakPolarHBondContact O-CB 3.42Å; S47-K51 PolarHBondContact O-N 2.94Å; S47-K51 VanDerWaalsContact O-N 3.12Å
48L77.6Confident70.9Confident23 Ų2366 Ų6612%0.1235%0.351CS..Hα-helixtrans-65.3-49.2175.4175.462.6000110.3V45 V46 Q50 K51 M52 A102 L105 Q106V45-L48 WeakPolarHBondContact O-CB 3.18Å; V45-L48 PolarHBondContact O-N 3.44Å; V45-L48 VanDerWaalsContact O-N 3.14Å; V46-L48 VanDerWaalsContact C-N 3.33Å; V46-L48 PolarHBondContact O-N 3.08Å; L48-Q50 VanDerWaalsContact C-N 3.33Å; L48-Q50 PolarHBondContact O-N 2.95Å; L48-K51 WeakPolarHBondContact O-CB 3.35Å; L48-K51 PolarHBondContact O-N 3.36Å; L48-K51 VanDerWaalsContact O-N 3.16Å; L48-M52 HydrophobicContact CD1-CG 4.1Å; L48-M52 HydrophobicContact CD1-SD 4.28Å; L48-M52 HydrophobicContact CG-CG 4.44Å; L48-M52 HydrophobicContact CG-SD 4.39Å; L48-M52 WeakPolarHBondContact O-CG 3.36Å; L48-M52 PolarHBondContact O-N 3.43Å; L48-A102 HydrophobicContact CD2-CB 3.92Å; L48-L105 HydrophobicContact CD2-CB 4.43Å; L48-L105 HydrophobicContact CD2-CD2 4.13Å; L48-Q106 HydrophobicContact CD1-CB 4.36Å
49F77.6Confident70.9Confident3 Ų364.4 Ų64.41%0.01336%0.356CS..Hα-helixtrans-60.7-42179-68-14.3000112.5V31 V45 V46 K51 M52 R53 F63 F85 L105 I109V31-F49 HydrophobicContact CG1-CE1 4.49Å; V31-F49 HydrophobicContact CG1-CZ 4.06Å; V45-F49 HydrophobicContact CB-CE2 4.32Å; V45-F49 HydrophobicContact CB-CZ 4.31Å; V45-F49 HydrophobicContact CG2-CD2 4.43Å; V45-F49 HydrophobicContact CG2-CE2 3.95Å; V45-F49 HydrophobicContact CG2-CZ 4.29Å; V45-F49 WeakPolarHBondContact O-CG 3.44Å; V45-F49 PolarHBondContact O-N 2.76Å; V46-F49 PolarHBondContact O-N 2.96Å; F49-K51 VanDerWaalsContact C-N 3.34Å; F49-K51 PolarHBondContact O-N 3.18Å; F49-M52 PolarHBondContact O-N 3.35Å; F49-R53 WeakPolarHBondContact O-CB 3.09Å; F49-R53 PolarHBondContact O-N 3.03Å; F49-F63 HydrophobicContact CB-CD1 3.79Å; F49-F63 HydrophobicContact CB-CD2 3.96Å; F49-F63 HydrophobicContact CB-CE1 3.62Å; F49-F63 HydrophobicContact CB-CE2 3.77Å; F49-F63 HydrophobicContact CB-CG 3.96Å; F49-F63 HydrophobicContact CB-CZ 3.58Å; F49-F63 AromaticContact CD1-CD1 3.85Å; F49-F63 HydrophobicContact CD1-CD1 3.85Å; F49-F63 AromaticContact CD1-CE1 3.18Å; F49-F63 HydrophobicContact CD1-CE1 3.18Å; F49-F63 AromaticContact CD1-CZ 3.67Å; F49-F63 HydrophobicContact CD1-CZ 3.67Å; F49-F63 AromaticContact CD2-CD1 3.45Å; F49-F63 HydrophobicContact CD2-CD1 3.45Å; F49-F63 VanDerWaalsContact CD2-CD1 3.45Å; F49-F63 AromaticContact CD2-CE1 3.74Å; F49-F63 HydrophobicContact CD2-CE1 3.74Å; F49-F63 HydrophobicContact CD2-CG 4.11Å; F49-F63 HydrophobicContact CE1-CD1 4.19Å; F49-F63 AromaticContact CE1-CE1 3.61Å; F49-F63 HydrophobicContact CE1-CE1 3.61Å; F49-F63 HydrophobicContact CE1-CZ 4.44Å; F49-F63 AromaticContact CE2-CD1 3.86Å; F49-F63 HydrophobicContact CE2-CD1 3.86Å; F49-F63 HydrophobicContact CE2-CE1 4.14Å; F49-F63 AromaticContact CG-CD1 3.43Å; F49-F63 HydrophobicContact CG-CD1 3.43Å; F49-F63 VanDerWaalsContact CG-CD1 3.43Å; F49-F63 AromaticContact CG-CE1 3.23Å; F49-F63 HydrophobicContact CG-CE1 3.23Å; F49-F63 HydrophobicContact CG-CE2 4.33Å; F49-F63 HydrophobicContact CG-CG 4.09Å; F49-F63 AromaticContact CG-CZ 3.71Å; F49-F63 HydrophobicContact CG-CZ 3.71Å; F49-F63 HydrophobicContact CZ-CD1 4.2Å; F49-F63 HydrophobicContact CZ-CE1 4.06Å; F49-F63 VanDerWaalsContact O-CE2 3.28Å; F49-F63 WeakPolarHBondContact O-CE2 3.33Å; F49-F85 HydrophobicContact CE2-CD1 4.25Å; F49-F85 HydrophobicContact CE2-CE1 4.07Å; F49-F85 AromaticContact CZ-CD1 3.77Å; F49-F85 HydrophobicContact CZ-CD1 3.77Å; F49-F85 AromaticContact CZ-CE1 3.81Å; F49-F85 HydrophobicContact CZ-CE1 3.81Å; F49-L105 HydrophobicContact CD1-CD2 4.38Å; F49-L105 HydrophobicContact CE1-CD1 4.43Å; F49-L105 HydrophobicContact CE1-CD2 3.29Å; F49-L105 HydrophobicContact CE1-CG 3.83Å; F49-L105 HydrophobicContact CZ-CD2 3.57Å; F49-L105 HydrophobicContact CZ-CG 4.3Å; F49-I109 HydrophobicContact CD1-CD1 4.06Å; F49-I109 HydrophobicContact CE1-CD1 3.81Å
50Q72.4Confident71.7Confident76 Ų7662.9 Ų62.936%0.35534%0.342SS..Hα-helixtrans-59.5-45.5174.7-70.8179-8.100112L10 V46 L48 I54L10-Q50 HydrophobicContact CB-CG 4.44Å; L10-Q50 HydrophobicContact CD1-CG 3.8Å; V46-Q50 HydrophobicContact CG1-CG 4.48Å; V46-Q50 VanDerWaalsContact O-CG 3.23Å; V46-Q50 WeakPolarHBondContact O-CG 3.35Å; V46-Q50 PolarHBondContact O-N 2.93Å; L48-Q50 VanDerWaalsContact C-N 3.33Å; L48-Q50 PolarHBondContact O-N 2.95Å; Q50-I54 WeakPolarHBondContact O-CD1 3.21Å; Q50-I54 VanDerWaalsContact O-CG1 3.3Å; Q50-I54 WeakPolarHBondContact O-CG1 3.47Å; Q50-I54 PolarHBondContact O-N 3.33Å
51K77.8Confident72.6Confident112 Ų11261.7 Ų61.749%0.48733%0.33SS..Hα-helixtrans-61.8-49.1177.3-176.7-178.4172.2-173.50111.5S47 L48 F49 R53 I54 E55S47-K51 WeakPolarHBondContact O-CB 3.42Å; S47-K51 PolarHBondContact O-N 2.94Å; S47-K51 VanDerWaalsContact O-N 3.12Å; L48-K51 WeakPolarHBondContact O-CB 3.35Å; L48-K51 PolarHBondContact O-N 3.36Å; L48-K51 VanDerWaalsContact O-N 3.16Å; F49-K51 VanDerWaalsContact C-N 3.34Å; F49-K51 PolarHBondContact O-N 3.18Å; K51-R53 VanDerWaalsContact C-N 3.34Å; K51-R53 PolarHBondContact O-N 3.41Å; K51-I54 PolarHBondContact O-N 3.05Å; K51-E55 WeakPolarHBondContact CE-OE1 3.31Å; K51-E55 IonicContact NZ-OE1 3.32Å; K51-E55 PolarHBondContact O-N 3.2Å
52M77.6Confident73.3Confident2 Ų261.5 Ų61.51%0.0133%0.325CS..Hα-helixtrans-63.3-38.9-179.1-69.3-160.176.200112.7L48 F49 I54 E55 V56 L61 Q106 I109 L110L48-M52 HydrophobicContact CD1-CG 4.1Å; L48-M52 HydrophobicContact CD1-SD 4.28Å; L48-M52 HydrophobicContact CG-CG 4.44Å; L48-M52 HydrophobicContact CG-SD 4.39Å; L48-M52 WeakPolarHBondContact O-CG 3.36Å; L48-M52 PolarHBondContact O-N 3.43Å; F49-M52 PolarHBondContact O-N 3.35Å; M52-I54 VanDerWaalsContact C-N 3.27Å; M52-I54 PolarHBondContact O-N 3.04Å; M52-E55 PolarHBondContact O-N 3.4Å; M52-V56 WeakPolarHBondContact O-CB 3.48Å; M52-V56 WeakPolarHBondContact O-CG2 3.49Å; M52-V56 PolarHBondContact O-N 3.32Å; M52-L61 HydrophobicContact CB-CD2 4.25Å; M52-Q106 HydrophobicContact CE-CG 3.86Å; M52-Q106 HydrophobicContact SD-CB 4.07Å; M52-Q106 HydrophobicContact SD-CG 3.85Å; M52-I109 HydrophobicContact CE-CB 3.59Å; M52-I109 HydrophobicContact CE-CD1 4.28Å; M52-I109 HydrophobicContact CE-CG2 3.31Å; M52-I109 HydrophobicContact SD-CB 3.98Å; M52-I109 HydrophobicContact SD-CD1 3.47Å; M52-I109 WeakPolarHBondContact SD-CD1 3.17Å; M52-I109 HydrophobicContact SD-CG1 4.29Å; M52-I109 HydrophobicContact SD-CG2 3.95Å; M52-L110 HydrophobicContact CE-CD2 3.99Å; M52-L110 HydrophobicContact CE-CG 3.86Å
53R75.1Confident74.2Confident29 Ų2960.7 Ų60.711%0.10932%0.319CS..Hα-helixtrans-62-36.5176.6-152.9-175.1158.6175.7-11.1112.3L10 F49 K51 G57 L58 F63L10-R53 VanDerWaalsContact C-NH1 3.33Å; L10-R53 VanDerWaalsContact CA-NH1 3.28Å; L10-R53 PolarHBondContact O-NH1 3.34Å; F49-R53 WeakPolarHBondContact O-CB 3.09Å; F49-R53 PolarHBondContact O-N 3.03Å; K51-R53 VanDerWaalsContact C-N 3.34Å; K51-R53 PolarHBondContact O-N 3.41Å; R53-G57 CarbonylContact O-C 3.55Å; R53-G57 PolarHBondContact O-N 3.48Å; R53-G57 VanDerWaalsContact O-N 3.12Å; R53-L58 HydrophobicContact CG-CD2 3.98Å; R53-L58 VanDerWaalsContact NE-CD2 3.25Å; R53-F63 HydrophobicContact CB-CD2 4.46Å; R53-F63 HydrophobicContact CB-CE2 3.95Å; R53-F63 HydrophobicContact CG-CD2 4.42Å; R53-F63 HydrophobicContact CG-CE2 4.23Å
54I74.3Confident74.8Confident136 Ų13652.3 Ų52.370%0.69728%0.283SS*.Hα-helixtrans-72-41.6177.2-66.5165.7000110.8Q50 K51 M52Q50-I54 WeakPolarHBondContact O-CD1 3.21Å; Q50-I54 VanDerWaalsContact O-CG1 3.3Å; Q50-I54 WeakPolarHBondContact O-CG1 3.47Å; Q50-I54 PolarHBondContact O-N 3.33Å; K51-I54 PolarHBondContact O-N 3.05Å; M52-I54 VanDerWaalsContact C-N 3.27Å; M52-I54 PolarHBondContact O-N 3.04Å
55E76.1Confident75.8Confident123 Ų12348.6 Ų48.658%0.57526%0.257SS*.Hα-helixtrans-71.8-39.6-178.2-75.9175.3172.800113.1K51 M52K51-E55 WeakPolarHBondContact CE-OE1 3.31Å; K51-E55 IonicContact NZ-OE1 3.32Å; K51-E55 PolarHBondContact O-N 3.2Å; M52-E55 PolarHBondContact O-N 3.4Å
56V71.5Confident76.5Confident36 Ų3648.4 Ų48.422%0.21826%0.256CS..Hα-helixtrans-87.7-32.8-175.1173.80000112.5M52 L110 L113M52-V56 WeakPolarHBondContact O-CB 3.48Å; M52-V56 WeakPolarHBondContact O-CG2 3.49Å; M52-V56 PolarHBondContact O-N 3.32Å; V56-L110 HydrophobicContact CG2-CD2 4.27Å; V56-L113 HydrophobicContact CB-CD1 4.18Å; V56-L113 HydrophobicContact CG1-CD1 3.44Å; V56-L113 VanDerWaalsContact CG1-CD1 3.44Å; V56-L113 HydrophobicContact CG1-CD2 4.09Å; V56-L113 HydrophobicContact CG1-CG 4.33Å; V56-L113 HydrophobicContact CG2-CD1 3.79Å
57G65.5Low77Confident29 Ų2947.8 Ų47.830%0.29925%0.251SS..  trans113.3147.5-175.600000113.4R53 D59R53-G57 CarbonylContact O-C 3.55Å; R53-G57 PolarHBondContact O-N 3.48Å; R53-G57 VanDerWaalsContact O-N 3.12Å; G57-D59 VanDerWaalsContact C-N 3.31Å; G57-D59 PolarHBondContact O-N 3.05Å
58L65.4Low77.3Confident82 Ų8244 Ų4443%0.42923%0.225SC..THydrogen-bonded Turntrans-73.6-16.5-170.8-63.6170.7000114.6R53R53-L58 HydrophobicContact CG-CD2 3.98Å; R53-L58 VanDerWaalsContact NE-CD2 3.25Å
59D68.7Low77.3Confident137 Ų13746.2 Ų46.273%0.73324%0.237SC*.THydrogen-bonded Turntrans-97.1-15.1-166.5-58-27.1000113.9G57G57-D59 VanDerWaalsContact C-N 3.31Å; G57-D59 PolarHBondContact O-N 3.05Å
60L77.2Confident77.2Confident46 Ų4652.7 Ų52.724%0.24126%0.261CS..THydrogen-bonded Turntrans-116.9-9.9-176-68176.1000113.6G28 L29 L113 K117 L120G28-L60 WeakPolarHBondContact CA-O 3.35Å; L29-L60 PolarHBondContact N-O 2.79Å; L60-L113 HydrophobicContact CB-CD2 4.42Å; L60-K117 HydrophobicContact CD1-CG 4.35Å; L60-L120 HydrophobicContact CD2-CD1 4.15Å
61L83.3Confident77.3Confident0 Ų049.2 Ų49.20%025%0.245CC..EExtended strand (participates in β ladder)trans-128.4115-178-175.162.9000110.5L29 V31 M52 F63 I109 L113L29-L61 HydrophobicContact CB-CD1 4.22Å; L29-L61 HydrophobicContact CD2-CD1 4.01Å; L29-L61 HydrophobicContact CG-CD1 4.32Å; L29-L61 WeakPolarHBondContact O-CA 3.38Å; V31-L61 HydrophobicContact CG2-CD1 4.03Å; M52-L61 HydrophobicContact CB-CD2 4.25Å; L61-F63 HydrophobicContact CD1-CZ 4.16Å; L61-F63 HydrophobicContact CD2-CE2 3.62Å; L61-F63 HydrophobicContact CD2-CZ 3.53Å; L61-F63 HydrophobicContact CG-CD2 4.48Å; L61-F63 HydrophobicContact CG-CE2 3.72Å; L61-F63 HydrophobicContact CG-CZ 3.78Å; L61-I109 HydrophobicContact CD1-CG2 3.96Å; L61-I109 HydrophobicContact CD2-CG2 3.93Å; L61-L113 HydrophobicContact CB-CD2 4.25Å; L61-L113 HydrophobicContact CD1-CD1 4.33Å; L61-L113 HydrophobicContact CD1-CD2 4.28Å; L61-L113 HydrophobicContact CD1-CG 4.48Å; L61-L113 HydrophobicContact CD2-CD1 4.28Å
62H83.7Confident77.1Confident43 Ų4350 Ų5020%0.19925%0.254CS..EExtended strand (participates in β ladder)trans-112.7138.4-179.3-57.789.9000109.6M23 K27 L29 T30 V31M23-H62 HydrophobicContact CE-CB 4.03Å; K27-H62 PolarHBondContact O-CE1 2.89Å; L29-H62 PolarHBondContact O-N 3.44Å; T30-H62 WeakPolarHBondContact CA-O 3.47Å; T30-H62 HydrophobicContact CG2-CB 4.44Å; V31-H62 PolarHBondContact N-O 3.4Å
63F84.9Confident76.8Confident6 Ų652.5 Ų52.53%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-117.6130.2174.8-67.5-74.8000109.7Q11 V12 V31 F49 R53 L61 I109Q11-F63 WeakPolarHBondContact CA-O 3.23Å; Q11-F63 HydrophobicContact CG-CB 3.96Å; V12-F63 PolarHBondContact N-O 3.4Å; V31-F63 HydrophobicContact CB-CD1 3.75Å; V31-F63 HydrophobicContact CB-CE1 3.87Å; V31-F63 HydrophobicContact CG1-CD1 4.27Å; V31-F63 HydrophobicContact CG1-CE1 4.27Å; V31-F63 HydrophobicContact CG2-CD1 4.33Å; V31-F63 HydrophobicContact CG2-CE1 4Å; V31-F63 CarbonylContact O-C 3.55Å; V31-F63 WeakPolarHBondContact O-CA 3.48Å; F49-F63 HydrophobicContact CB-CD1 3.79Å; F49-F63 HydrophobicContact CB-CD2 3.96Å; F49-F63 HydrophobicContact CB-CE1 3.62Å; F49-F63 HydrophobicContact CB-CE2 3.77Å; F49-F63 HydrophobicContact CB-CG 3.96Å; F49-F63 HydrophobicContact CB-CZ 3.58Å; F49-F63 AromaticContact CD1-CD1 3.85Å; F49-F63 HydrophobicContact CD1-CD1 3.85Å; F49-F63 AromaticContact CD1-CE1 3.18Å; F49-F63 HydrophobicContact CD1-CE1 3.18Å; F49-F63 AromaticContact CD1-CZ 3.67Å; F49-F63 HydrophobicContact CD1-CZ 3.67Å; F49-F63 AromaticContact CD2-CD1 3.45Å; F49-F63 HydrophobicContact CD2-CD1 3.45Å; F49-F63 VanDerWaalsContact CD2-CD1 3.45Å; F49-F63 AromaticContact CD2-CE1 3.74Å; F49-F63 HydrophobicContact CD2-CE1 3.74Å; F49-F63 HydrophobicContact CD2-CG 4.11Å; F49-F63 HydrophobicContact CE1-CD1 4.19Å; F49-F63 AromaticContact CE1-CE1 3.61Å; F49-F63 HydrophobicContact CE1-CE1 3.61Å; F49-F63 HydrophobicContact CE1-CZ 4.44Å; F49-F63 AromaticContact CE2-CD1 3.86Å; F49-F63 HydrophobicContact CE2-CD1 3.86Å; F49-F63 HydrophobicContact CE2-CE1 4.14Å; F49-F63 AromaticContact CG-CD1 3.43Å; F49-F63 HydrophobicContact CG-CD1 3.43Å; F49-F63 VanDerWaalsContact CG-CD1 3.43Å; F49-F63 AromaticContact CG-CE1 3.23Å; F49-F63 HydrophobicContact CG-CE1 3.23Å; F49-F63 HydrophobicContact CG-CE2 4.33Å; F49-F63 HydrophobicContact CG-CG 4.09Å; F49-F63 AromaticContact CG-CZ 3.71Å; F49-F63 HydrophobicContact CG-CZ 3.71Å; F49-F63 HydrophobicContact CZ-CD1 4.2Å; F49-F63 HydrophobicContact CZ-CE1 4.06Å; F49-F63 VanDerWaalsContact O-CE2 3.28Å; F49-F63 WeakPolarHBondContact O-CE2 3.33Å; R53-F63 HydrophobicContact CB-CD2 4.46Å; R53-F63 HydrophobicContact CB-CE2 3.95Å; R53-F63 HydrophobicContact CG-CD2 4.42Å; R53-F63 HydrophobicContact CG-CE2 4.23Å; L61-F63 HydrophobicContact CD1-CZ 4.16Å; L61-F63 HydrophobicContact CD2-CE2 3.62Å; L61-F63 HydrophobicContact CD2-CZ 3.53Å; L61-F63 HydrophobicContact CG-CD2 4.48Å; L61-F63 HydrophobicContact CG-CE2 3.72Å; L61-F63 HydrophobicContact CG-CZ 3.78Å; F63-I109 HydrophobicContact CE1-CD1 4.12Å; F63-I109 HydrophobicContact CZ-CD1 4.31Å
64A84.7Confident76.8Confident1 Ų151.1 Ų51.11%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-126.3151.4178.200000110.9V12 I14 M23 V31 V32 D33V12-A64 CarbonylContact O-C 3.38Å; V12-A64 VanDerWaalsContact O-CA 3.24Å; V12-A64 WeakPolarHBondContact O-CA 3.34Å; I14-A64 HydrophobicContact CD1-CB 3.5Å; I14-A64 VanDerWaalsContact CD1-CB 3.5Å; I14-A64 HydrophobicContact CG1-CB 3.96Å; M23-A64 HydrophobicContact CE-CB 4.34Å; V31-A64 PolarHBondContact O-N 3.46Å; V32-A64 CarbonylContact C-O 3.55Å; V32-A64 WeakPolarHBondContact CA-O 3.28Å; V32-A64 HydrophobicContact CG1-CB 4.45Å; V32-A64 HydrophobicContact CG2-CB 4.2Å; D33-A64 PolarHBondContact N-O 3.5Å
65L84.2Confident76.7Confident17 Ų1750.1 Ų50.19%0.08926%0.257CS..EExtended strand (participates in β ladder)trans-114.5126.4171-57.6177.1000107.4Q11 V12 I14 D33 Y35 P41Q11-L65 HydrophobicContact CB-CD1 4.4Å; Q11-L65 HydrophobicContact CB-CG 4.22Å; V12-L65 PolarHBondContact O-N 3.19Å; I14-L65 PolarHBondContact N-O 3.07Å; D33-L65 HydrophobicContact CB-CD2 3.74Å; D33-L65 WeakPolarHBondContact O-CA 3.38Å; Y35-L65 HydrophobicContact CD1-CB 4.38Å; Y35-L65 HydrophobicContact CE1-CB 3.87Å; P41-L65 HydrophobicContact CB-CD1 4.11Å; P41-L65 HydrophobicContact CB-CD2 3.96Å; P41-L65 HydrophobicContact CG-CD1 4.25Å
66A84.6Confident76.4Confident0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-122.4127.3-179.900000110.8I14 W20 V32 D33 V34 Y35 L71 L74I14-A66 HydrophobicContact CB-CB 4.47Å; W20-A66 HydrophobicContact CZ3-CB 4.04Å; V32-A66 HydrophobicContact CG1-CB 3.44Å; V32-A66 VanDerWaalsContact CG1-CB 3.44Å; D33-A66 PolarHBondContact O-N 3.4Å; V34-A66 WeakPolarHBondContact CA-O 3.39Å; Y35-A66 VanDerWaalsContact CD1-O 3.29Å; Y35-A66 WeakPolarHBondContact CD1-O 3.25Å; Y35-A66 PolarHBondContact N-O 3.16Å; A66-L71 HydrophobicContact CB-CD1 3.91Å; A66-L74 HydrophobicContact CB-CD1 3.77Å
67E81.4Confident76.5Confident24 Ų2447 Ų4711%0.11224%0.238CC..EExtended strand (participates in β ladder)trans-85.7112.2174.3-167.2174.2135.500109.2Y35 D69 R70Y35-E67 HydrophobicContact CE1-CB 4.38Å; Y35-E67 HydrophobicContact CE2-CB 4.18Å; Y35-E67 HydrophobicContact CE2-CG 4.08Å; Y35-E67 WeakPolarHBondContact O-CA 3.41Å; Y35-E67 PolarHBondContact OH-OE2 3.03Å; E67-D69 PolarHBondContact O-N 3.05Å; E67-D69 VanDerWaalsContact O-N 3.16Å; E67-R70 HydrophobicContact CB-CG 4.24Å; E67-R70 HydrophobicContact CG-CG 4.18Å; E67-R70 PolarHBondContact O-N 3.18Å; E67-R70 IonicContact OE1-CZ 2.7Å; E67-R70 IonicContact OE1-NE 2.68Å; E67-R70 PolarHBondContact OE1-NE 3.24Å; E67-R70 IonicContact OE1-NH2 3.95Å; E67-R70 PolarHBondContact OE1-NH2 2.97Å; E67-R70 VanDerWaalsContact OE1-NH2 3.11Å; E67-R70 IonicContact OE2-CZ 3.13Å; E67-R70 VanDerWaalsContact OE2-CZ 3.29Å; E67-R70 IonicContact OE2-NE 3.8Å; E67-R70 PolarHBondContact OE2-NE 3.05Å; E67-R70 IonicContact OE2-NH2 2.84Å; E67-R70 PolarHBondContact OE2-NH2 2.91Å
68A79.3Confident77Confident0 Ų049.4 Ų49.40%024%0.238CC..G310 helixtrans-60.5-27.7-174.400000113.5V34 Y35 Q36 R70 L74 R78V34-A68 HydrophobicContact CG1-CB 3.85Å; Y35-A68 PolarHBondContact O-N 3.41Å; Q36-A68 VanDerWaalsContact NE2-CB 3.32Å; A68-R70 PolarHBondContact O-N 3.03Å; A68-L74 HydrophobicContact CB-CB 4.17Å; A68-R78 HydrophobicContact CB-CG 4.34Å; A68-R78 PolarHBondContact O-NE 3.14Å; A68-R78 VanDerWaalsContact O-NE 3.15Å
69D77.6Confident76.9Confident69 Ų6948.4 Ų48.437%0.36925%0.248SC..G310 helixtrans-71.1-16.1179.3-61.3-41.8000113G37 E67G37-D69 PolarHBondContact N-OD2 3.01Å; G37-D69 VanDerWaalsContact N-OD2 3.14Å; E67-D69 PolarHBondContact O-N 3.05Å; E67-D69 VanDerWaalsContact O-N 3.16Å
70R76.1Confident76.8Confident139 Ų13946.2 Ų46.253%0.52523%0.232SC..G310 helixtrans-106.8-8.4-174.8-60.5-166-171.6174.615.1114.9E67 A68E67-R70 HydrophobicContact CB-CG 4.24Å; E67-R70 HydrophobicContact CG-CG 4.18Å; E67-R70 PolarHBondContact O-N 3.18Å; E67-R70 IonicContact OE1-CZ 2.7Å; E67-R70 IonicContact OE1-NE 2.68Å; E67-R70 PolarHBondContact OE1-NE 3.24Å; E67-R70 IonicContact OE1-NH2 3.95Å; E67-R70 PolarHBondContact OE1-NH2 2.97Å; E67-R70 VanDerWaalsContact OE1-NH2 3.11Å; E67-R70 IonicContact OE2-CZ 3.13Å; E67-R70 VanDerWaalsContact OE2-CZ 3.29Å; E67-R70 IonicContact OE2-NE 3.8Å; E67-R70 PolarHBondContact OE2-NE 3.05Å; E67-R70 IonicContact OE2-NH2 2.84Å; E67-R70 PolarHBondContact OE2-NH2 2.91Å; A68-R70 PolarHBondContact O-N 3.03Å
71L75.4Confident75.8Confident2 Ų248.6 Ų48.61%0.0125%0.252CS..  trans-121.2121.1-175.7-66.8171.5000108.8I14 W20 A66 V73 L74I14-L71 HydrophobicContact CG2-CD1 4.09Å; W20-L71 HydrophobicContact CE3-CD1 3.75Å; W20-L71 HydrophobicContact CZ3-CD1 4.15Å; A66-L71 HydrophobicContact CB-CD1 3.91Å; L71-V73 HydrophobicContact CB-CG2 4.1Å; L71-V73 PolarHBondContact O-N 2.88Å; L71-L74 HydrophobicContact CB-CB 4.25Å; L71-L74 HydrophobicContact CB-CD1 4.16Å; L71-L74 HydrophobicContact CB-CG 4.11Å; L71-L74 HydrophobicContact CD1-CD1 3.74Å; L71-L74 HydrophobicContact CD1-CG 4.41Å; L71-L74 PolarHBondContact O-N 2.85Å
72D73.1Confident75.3Confident129 Ų12952.9 Ų52.969%0.6927%0.272SS*.G310 helixtrans-64.6-35.1179.7-63.9-28.6000110.9L74 E75 R78D72-L74 PolarHBondContact O-N 2.77Å; D72-E75 VanDerWaalsContact O-CB 3.32Å; D72-E75 WeakPolarHBondContact O-CB 3.32Å; D72-E75 PolarHBondContact O-N 2.86Å; D72-R78 IonicContact OD1-NH2 3.95Å
73V71Confident74.8Confident54 Ų5452.5 Ų52.533%0.32727%0.273SS..G310 helixtrans-60.7-16.3173.6-60.70000113.4W20 L71 L134W20-V73 HydrophobicContact CD2-CG2 4.34Å; W20-V73 HydrophobicContact CZ2-CG2 4.26Å; L71-V73 HydrophobicContact CB-CG2 4.1Å; L71-V73 PolarHBondContact O-N 2.88Å; V73-L134 WeakPolarHBondContact O-CD2 3.39Å
74L75.3Confident74.7Confident0 Ų052.5 Ų52.50%027%0.273CS..G310 helixtrans-10912.6178.4-60.3-179.2000113.4W20 V34 A66 A68 L71 D72 K76 Y77 L86W20-L74 HydrophobicContact CH2-CD2 4.12Å; W20-L74 HydrophobicContact CZ3-CD1 4.18Å; V34-L74 HydrophobicContact CG1-CD1 3.93Å; V34-L74 HydrophobicContact CG2-CD1 3.97Å; V34-L74 HydrophobicContact CG2-CD2 4.22Å; A66-L74 HydrophobicContact CB-CD1 3.77Å; A68-L74 HydrophobicContact CB-CB 4.17Å; L71-L74 HydrophobicContact CB-CB 4.25Å; L71-L74 HydrophobicContact CB-CD1 4.16Å; L71-L74 HydrophobicContact CB-CG 4.11Å; L71-L74 HydrophobicContact CD1-CD1 3.74Å; L71-L74 HydrophobicContact CD1-CG 4.41Å; L71-L74 PolarHBondContact O-N 2.85Å; D72-L74 PolarHBondContact O-N 2.77Å; L74-K76 VanDerWaalsContact C-N 3.26Å; L74-K76 PolarHBondContact O-N 3.49Å; L74-Y77 HydrophobicContact CB-CD2 4.32Å; L74-Y77 HydrophobicContact CD2-CD2 3.89Å; L74-Y77 HydrophobicContact CD2-CE2 4.11Å; L74-Y77 WeakPolarHBondContact O-CA 3.3Å; L74-Y77 WeakPolarHBondContact O-CB 3.21Å; L74-Y77 PolarHBondContact O-N 3.41Å; L74-L86 HydrophobicContact CD2-CD1 3.76Å
75E71.9Confident74.8Confident116 Ų11652.4 Ų52.454%0.54227%0.273SS..G310 helixtrans-54.4-40.7-176.9178163-135.400113D72 Y77 R78D72-E75 VanDerWaalsContact O-CB 3.32Å; D72-E75 WeakPolarHBondContact O-CB 3.32Å; D72-E75 PolarHBondContact O-N 2.86Å; E75-Y77 PolarHBondContact O-N 3.18Å; E75-Y77 VanDerWaalsContact O-N 3.16Å; E75-R78 VanDerWaalsContact O-CB 3.29Å; E75-R78 WeakPolarHBondContact O-CB 3.38Å; E75-R78 WeakPolarHBondContact O-CG 3.29Å; E75-R78 PolarHBondContact O-N 3.47Å; E75-R78 IonicContact OE1-NH1 3.77Å; E75-R78 PolarHBondContact OE1-NH1 3.15Å
76K70.7Confident74.9Confident89 Ų8951.6 Ų51.639%0.38727%0.268SS..G310 helixtrans-71.3-6.4179.5-67.6167.7175.8164.40113.9L74 K80 A133 S135 D136L74-K76 VanDerWaalsContact C-N 3.26Å; L74-K76 PolarHBondContact O-N 3.49Å; K76-K80 PolarHBondContact O-NZ 3.42Å; K76-A133 HydrophobicContact CB-CB 4.02Å; K76-A133 WeakPolarHBondContact CB-O 3.45Å; K76-A133 VanDerWaalsContact CD-C 3.49Å; K76-A133 WeakPolarHBondContact CD-O 3.03Å; K76-S135 PolarHBondContact NZ-O 2.88Å; K76-D136 IonicContact NZ-OD1 2.99Å; K76-D136 PolarHBondContact NZ-OD1 3.03Å
77Y72Confident75.1Confident5 Ų551.6 Ų51.62%0.0227%0.268CS..G310 helixtrans-98.7-3.6172.1-61.4-88.8000113Q36 L74 E75 T84 L86 D131 A133 L134Q36-Y77 PolarHBondContact NE2-O 2.83Å; L74-Y77 HydrophobicContact CB-CD2 4.32Å; L74-Y77 HydrophobicContact CD2-CD2 3.89Å; L74-Y77 HydrophobicContact CD2-CE2 4.11Å; L74-Y77 WeakPolarHBondContact O-CA 3.3Å; L74-Y77 WeakPolarHBondContact O-CB 3.21Å; L74-Y77 PolarHBondContact O-N 3.41Å; E75-Y77 PolarHBondContact O-N 3.18Å; E75-Y77 VanDerWaalsContact O-N 3.16Å; Y77-T84 HydrophobicContact CD1-CG2 4Å; Y77-T84 HydrophobicContact CE1-CG2 3.8Å; Y77-L86 HydrophobicContact CE1-CD2 4.33Å; Y77-D131 VanDerWaalsContact OH-CG 3.25Å; Y77-D131 PolarHBondContact OH-OD1 2.99Å; Y77-A133 HydrophobicContact CE2-CB 4.43Å; Y77-L134 HydrophobicContact CE2-CD1 4.42Å; Y77-L134 HydrophobicContact CE2-CD2 3.91Å; Y77-L134 HydrophobicContact CE2-CG 4.03Å
78R76.9Confident75.3Confident78 Ų7851.3 Ų51.329%0.29427%0.267SS..THydrogen-bonded Turntrans-66.3147.6177.4-65.4177.6-172.9159.41.7111.9A68 D72 E75 K80A68-R78 HydrophobicContact CB-CG 4.34Å; A68-R78 PolarHBondContact O-NE 3.14Å; A68-R78 VanDerWaalsContact O-NE 3.15Å; D72-R78 IonicContact OD1-NH2 3.95Å; E75-R78 VanDerWaalsContact O-CB 3.29Å; E75-R78 WeakPolarHBondContact O-CB 3.38Å; E75-R78 WeakPolarHBondContact O-CG 3.29Å; E75-R78 PolarHBondContact O-N 3.47Å; E75-R78 IonicContact OE1-NH1 3.77Å; E75-R78 PolarHBondContact OE1-NH1 3.15Å; R78-K80 PolarHBondContact O-N 2.82Å
79G63.7Low75.4Confident62 Ų6251.5 Ų51.564%0.63927%0.268SS*.THydrogen-bonded Turntrans74.73.6175.100000115.8
80K65.4Low75.4Confident91 Ų9149.9 Ų49.940%0.39627%0.268SS..  trans-94.4132.7174.5-65.7177.3-179.3166.20110.1Q36 K76 R78 E82Q36-K80 WeakPolarHBondContact CG-O 3.45Å; K76-K80 PolarHBondContact O-NZ 3.42Å; R78-K80 PolarHBondContact O-N 2.82Å; K80-E82 VanDerWaalsContact C-N 3.29Å
81C57.1Low75.4Confident96 Ų9645 Ų4565%0.64926%0.26SS*.  trans-90.49.6177.3-55.40000112.9W38W38-C81 HydrophobicContact CH2-CB 4.37Å; W38-C81 WeakPolarHBondContact CH2-SG 3.48Å; W38-C81 VanDerWaalsContact CZ2-SG 3.59Å
82E72.6Confident75.5Confident90 Ų9048.3 Ų48.342%0.42128%0.276SS..SBendtrans-96.4126.8-178.7-174.9-177.3-158.800110.3K80 T84 R98 G99K80-E82 VanDerWaalsContact C-N 3.29Å; E82-T84 PolarHBondContact O-N 3.44Å; E82-T84 PolarHBondContact O-OG1 2.94Å; E82-R98 HydrophobicContact CG-CB 4.45Å; E82-R98 VanDerWaalsContact OE1-CB 3.31Å; E82-R98 WeakPolarHBondContact OE1-CB 3.33Å; E82-G99 PolarHBondContact OE1-N 3.47Å
83P73.8Confident75.8Confident35 Ų3542.8 Ų42.823%0.22725%0.246CC..  trans-63.8129.1175.325.9-31.9000110C42 F85 G99 A100C42-P83 HydrophobicContact CB-CB 4.34Å; P83-F85 HydrophobicContact CB-CE2 4.21Å; P83-F85 HydrophobicContact CB-CZ 4.24Å; P83-G99 PolarHBondContact O-N 3.32Å; P83-A100 HydrophobicContact CG-CB 4.11Å
84T81.8Confident76.3Confident5 Ų540.5 Ų40.53%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-125124.5-176.3-60.90000110.1V34 Y77 E82 L86 V96 R98V34-T84 WeakPolarHBondContact CB-O 3.26Å; V34-T84 PolarHBondContact N-O 2.89Å; Y77-T84 HydrophobicContact CD1-CG2 4Å; Y77-T84 HydrophobicContact CE1-CG2 3.8Å; E82-T84 PolarHBondContact O-N 3.44Å; E82-T84 PolarHBondContact O-OG1 2.94Å; T84-L86 HydrophobicContact CG2-CD2 4.01Å; T84-V96 HydrophobicContact CG2-CG1 4.16Å; T84-R98 HydrophobicContact CG2-CG 4.29Å
85F87.2Confident76.6Confident0 Ų040.9 Ų40.90%024%0.235CC..EExtended strand (participates in β ladder)trans-108.9117.1179.8-55.1-78000109.9V31 V32 D33 C42 V45 F49 P83 F87 V96 V97 L105V31-F85 HydrophobicContact CG1-CB 4.47Å; V32-F85 CarbonylContact O-C 3.59Å; V32-F85 VanDerWaalsContact O-CA 3.3Å; V32-F85 WeakPolarHBondContact O-CA 3.35Å; D33-F85 HydrophobicContact CB-CD1 3.93Å; D33-F85 HydrophobicContact CB-CE1 3.79Å; C42-F85 HydrophobicContact CB-CZ 4.37Å; V45-F85 HydrophobicContact CB-CE1 4.45Å; V45-F85 HydrophobicContact CB-CZ 4.23Å; V45-F85 HydrophobicContact CG1-CE1 4.47Å; V45-F85 HydrophobicContact CG1-CE2 4.45Å; V45-F85 HydrophobicContact CG1-CZ 3.78Å; V45-F85 HydrophobicContact CG2-CE1 3.75Å; V45-F85 HydrophobicContact CG2-CZ 3.75Å; F49-F85 HydrophobicContact CE2-CD1 4.25Å; F49-F85 HydrophobicContact CE2-CE1 4.07Å; F49-F85 AromaticContact CZ-CD1 3.77Å; F49-F85 HydrophobicContact CZ-CD1 3.77Å; F49-F85 AromaticContact CZ-CE1 3.81Å; F49-F85 HydrophobicContact CZ-CE1 3.81Å; P83-F85 HydrophobicContact CB-CE2 4.21Å; P83-F85 HydrophobicContact CB-CZ 4.24Å; F85-F87 HydrophobicContact CB-CE2 3.97Å; F85-V96 WeakPolarHBondContact O-CA 3.38Å; F85-V97 HydrophobicContact CB-CB 4.33Å; F85-V97 HydrophobicContact CD2-CG1 4.47Å; F85-V97 PolarHBondContact N-O 3.16Å; F85-V97 PolarHBondContact O-N 3.05Å; F85-L105 HydrophobicContact CB-CD1 3.75Å; F85-L105 HydrophobicContact CD1-CD1 4.29Å; F85-L105 HydrophobicContact CD1-CD2 4.5Å; F85-L105 HydrophobicContact CD2-CD1 3.7Å; F85-L105 HydrophobicContact CD2-CD2 4.28Å; F85-L105 HydrophobicContact CE1-CD2 4.44Å; F85-L105 HydrophobicContact CE2-CD1 4.42Å; F85-L105 HydrophobicContact CE2-CD2 4.21Å; F85-L105 HydrophobicContact CG-CD1 3.62Å; F85-L105 HydrophobicContact CG-CD2 4.42Å; F85-L105 HydrophobicContact CZ-CD2 4.3Å
86L87.2Confident77.1Confident0 Ų037.1 Ų37.10%022%0.22CC..EExtended strand (participates in β ladder)trans-100.5134.7176.8-53.6177.2000109.5W20 V31 V32 V34 L74 Y77 T84 Y88 L93 V96W20-L86 HydrophobicContact CH2-CD1 4.29Å; V31-L86 CarbonylContact C-O 3.58Å; V31-L86 WeakPolarHBondContact CA-O 3.41Å; V32-L86 HydrophobicContact CB-CB 4.27Å; V32-L86 PolarHBondContact N-O 3.45Å; V32-L86 PolarHBondContact O-N 2.93Å; V34-L86 HydrophobicContact CG2-CD1 3.68Å; V34-L86 HydrophobicContact CG2-CG 3.93Å; L74-L86 HydrophobicContact CD2-CD1 3.76Å; Y77-L86 HydrophobicContact CE1-CD2 4.33Å; T84-L86 HydrophobicContact CG2-CD2 4.01Å; L86-Y88 HydrophobicContact CB-CD2 4.19Å; L86-Y88 HydrophobicContact CB-CE2 3.56Å; L86-Y88 HydrophobicContact CD1-CE2 4.15Å; L86-L93 HydrophobicContact CB-CD1 3.95Å; L86-L93 HydrophobicContact CD2-CD1 4.35Å; L86-V96 HydrophobicContact CD2-CB 4.35Å; L86-V96 HydrophobicContact CD2-CG1 3.89Å; L86-V96 HydrophobicContact CD2-CG2 3.71Å
87F88.3Confident77.5Confident0 Ų033.3 Ų33.30%020%0.204CC..EExtended strand (participates in β ladder)trans-112.9119.8-178-66.8-110000109.1L29 T30 V31 F85 L93 V94 A95 V97 L105 T108 I109L29-F87 HydrophobicContact CD1-CB 4.31Å; L29-F87 HydrophobicContact CD1-CD1 4.36Å; L29-F87 HydrophobicContact CD2-CD1 4.15Å; L29-F87 HydrophobicContact CG-CD1 4.5Å; T30-F87 WeakPolarHBondContact O-CA 3.36Å; V31-F87 HydrophobicContact CG1-CE1 4.25Å; V31-F87 HydrophobicContact CG1-CZ 4.23Å; V31-F87 HydrophobicContact CG2-CD1 3.79Å; V31-F87 HydrophobicContact CG2-CE1 3.82Å; F85-F87 HydrophobicContact CB-CE2 3.97Å; F87-L93 CarbonylContact O-C 3.59Å; F87-L93 WeakPolarHBondContact O-CA 3.15Å; F87-L93 WeakPolarHBondContact O-CD1 3.46Å; F87-V94 HydrophobicContact CB-CG2 3.96Å; F87-V94 WeakPolarHBondContact O-CG2 3.46Å; F87-V94 PolarHBondContact O-N 2.88Å; F87-A95 HydrophobicContact CB-CB 3.8Å; F87-A95 WeakPolarHBondContact CB-O 3.48Å; F87-A95 HydrophobicContact CD2-CB 3.94Å; F87-A95 WeakPolarHBondContact CD2-O 3.42Å; F87-A95 HydrophobicContact CG-CB 3.9Å; F87-A95 PolarHBondContact N-O 3.15Å; F87-A95 PolarHBondContact O-N 3.41Å; F87-V97 HydrophobicContact CD2-CG2 4.47Å; F87-V97 HydrophobicContact CE2-CB 3.96Å; F87-V97 HydrophobicContact CE2-CG2 3.57Å; F87-V97 HydrophobicContact CZ-CG2 4.07Å; F87-L105 HydrophobicContact CE2-CD1 4.05Å; F87-L105 HydrophobicContact CZ-CD1 3.65Å; F87-T108 HydrophobicContact CD1-CG2 4.26Å; F87-T108 HydrophobicContact CD2-CG2 4.43Å; F87-T108 HydrophobicContact CE1-CG2 3.84Å; F87-T108 HydrophobicContact CE2-CG2 4.08Å; F87-T108 HydrophobicContact CZ-CG2 3.76Å; F87-I109 HydrophobicContact CE1-CB 4.37Å; F87-I109 HydrophobicContact CE1-CG1 3.48Å; F87-I109 VanDerWaalsContact CE1-CG1 3.48Å; F87-I109 HydrophobicContact CZ-CG1 4.04Å
88Y84.5Confident78Confident18 Ų1836.8 Ų36.87%0.07122%0.217CC..EExtended strand (participates in β ladder)trans-116.9135.6179-70.3-91.6000110.8W20 L24 L29 T30 V32 L86 E92 L93W20-Y88 AromaticContact CH2-CE2 3.86Å; W20-Y88 HydrophobicContact CH2-CE2 3.86Å; W20-Y88 HydrophobicContact CZ2-CE1 4.46Å; W20-Y88 AromaticContact CZ2-CE2 3.86Å; W20-Y88 HydrophobicContact CZ2-CE2 3.86Å; W20-Y88 AromaticContact CZ2-CZ 3.67Å; W20-Y88 WeakPolarHBondContact CZ2-OH 3.44Å; L24-Y88 HydrophobicContact CD1-CD1 4.21Å; L24-Y88 HydrophobicContact CD1-CE1 4.22Å; L24-Y88 VanDerWaalsContact CD2-CB 3.45Å; L24-Y88 HydrophobicContact CD2-CD1 3.41Å; L24-Y88 VanDerWaalsContact CD2-CD1 3.41Å; L24-Y88 HydrophobicContact CD2-CD2 3.67Å; L24-Y88 HydrophobicContact CD2-CE1 4.02Å; L24-Y88 HydrophobicContact CD2-CE2 4.24Å; L24-Y88 HydrophobicContact CD2-CG 3.22Å; L24-Y88 HydrophobicContact CG-CD1 4.46Å; L29-Y88 CarbonylContact C-O 3.52Å; L29-Y88 WeakPolarHBondContact CA-O 3.5Å; T30-Y88 PolarHBondContact N-O 3.46Å; T30-Y88 PolarHBondContact O-N 2.71Å; V32-Y88 HydrophobicContact CG2-CD2 3.98Å; V32-Y88 HydrophobicContact CG2-CE2 4.2Å; L86-Y88 HydrophobicContact CB-CD2 4.19Å; L86-Y88 HydrophobicContact CB-CE2 3.56Å; L86-Y88 HydrophobicContact CD1-CE2 4.15Å; Y88-E92 CarbonylContact C-O 3.58Å; Y88-E92 WeakPolarHBondContact CA-O 3.32Å; Y88-L93 HydrophobicContact CD1-CB 4.13Å; Y88-L93 HydrophobicContact CD1-CD1 4.37Å; Y88-L93 HydrophobicContact CD2-CD1 4.23Å; Y88-L93 HydrophobicContact CE1-CB 3.76Å; Y88-L93 HydrophobicContact CE1-CD1 3.94Å; Y88-L93 HydrophobicContact CE1-CG 4.46Å; Y88-L93 HydrophobicContact CE2-CD1 3.8Å; Y88-L93 HydrophobicContact CG-CD1 4.49Å
89A82.7Confident77.8Confident3 Ų333.8 Ų33.83%0.02521%0.211CC..EExtended strand (participates in β ladder)trans-134125.7171.700000109.3L29 G91 E92 V94L29-A89 HydrophobicContact CD1-CB 4.2Å; A89-G91 PolarHBondContact O-N 3.41Å; A89-E92 PolarHBondContact N-O 3.36Å; A89-E92 PolarHBondContact O-N 2.85Å; A89-E92 VanDerWaalsContact O-N 3.14Å; A89-V94 HydrophobicContact CB-CG1 3.85Å; A89-V94 HydrophobicContact CB-CG2 4.04Å
90G76.7Confident78.1Confident36 Ų3633.9 Ų33.937%0.37121%0.205SC..THydrogen-bonded Turntrans58.831.5-177.600000114.5E92G90-E92 VanDerWaalsContact C-N 3.32Å
91G75.4Confident78.4Confident35 Ų3532 Ų3236%0.36120%0.2SC..THydrogen-bonded Turntrans84.7-3.9-178.600000115.6L24 A89L24-G91 WeakPolarHBondContact O-CA 3.44Å; L24-G91 PolarHBondContact O-N 3.47Å; L24-G91 VanDerWaalsContact O-N 3.12Å; A89-G91 PolarHBondContact O-N 3.41Å
92E77.7Confident79.3Confident73 Ų7329.4 Ų29.434%0.34119%0.186SC..EExtended strand (participates in β ladder)trans-108.3142.7-177.8-65.6177.6146.500110.9Y88 A89 G90 V94 R126 V128Y88-E92 CarbonylContact C-O 3.58Å; Y88-E92 WeakPolarHBondContact CA-O 3.32Å; A89-E92 PolarHBondContact N-O 3.36Å; A89-E92 PolarHBondContact O-N 2.85Å; A89-E92 VanDerWaalsContact O-N 3.14Å; G90-E92 VanDerWaalsContact C-N 3.32Å; E92-V94 PolarHBondContact O-N 3.13Å; E92-R126 WeakPolarHBondContact OE2-CB 3.28Å; E92-R126 WeakPolarHBondContact OE2-CD 3.28Å; E92-V128 HydrophobicContact CB-CG1 4.28Å; E92-V128 HydrophobicContact CB-CG2 4Å; E92-V128 HydrophobicContact CG-CG2 4.04Å; E92-V128 WeakPolarHBondContact OE1-CG2 3.23Å; E92-V128 WeakPolarHBondContact OE2-CG2 3.47Å
93L80.6Confident79.6Confident12 Ų1229.8 Ų29.86%0.06320%0.196CC..EExtended strand (participates in β ladder)trans-72.3121.3174.8-175.573.4000109.1L86 F87 Y88 V96 I129 D131 L134L86-L93 HydrophobicContact CB-CD1 3.95Å; L86-L93 HydrophobicContact CD2-CD1 4.35Å; F87-L93 CarbonylContact O-C 3.59Å; F87-L93 WeakPolarHBondContact O-CA 3.15Å; F87-L93 WeakPolarHBondContact O-CD1 3.46Å; Y88-L93 HydrophobicContact CD1-CB 4.13Å; Y88-L93 HydrophobicContact CD1-CD1 4.37Å; Y88-L93 HydrophobicContact CD2-CD1 4.23Å; Y88-L93 HydrophobicContact CE1-CB 3.76Å; Y88-L93 HydrophobicContact CE1-CD1 3.94Å; Y88-L93 HydrophobicContact CE1-CG 4.46Å; Y88-L93 HydrophobicContact CE2-CD1 3.8Å; Y88-L93 HydrophobicContact CG-CD1 4.49Å; L93-V96 HydrophobicContact CD1-CG2 4.06Å; L93-V96 HydrophobicContact CD2-CG2 3.8Å; L93-V96 HydrophobicContact CG-CG2 4.23Å; L93-I129 PolarHBondContact O-N 2.97Å; L93-D131 HydrophobicContact CD2-CB 3.87Å; L93-L134 HydrophobicContact CD2-CD1 4Å
94V80.5Confident79.9Confident6 Ų631.7 Ų31.74%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-114.2-17.6-175.8-63.90000113.7L29 F87 A89 E92 Q112 I129L29-V94 HydrophobicContact CD1-CG2 3.91Å; F87-V94 HydrophobicContact CB-CG2 3.96Å; F87-V94 WeakPolarHBondContact O-CG2 3.46Å; F87-V94 PolarHBondContact O-N 2.88Å; A89-V94 HydrophobicContact CB-CG1 3.85Å; A89-V94 HydrophobicContact CB-CG2 4.04Å; E92-V94 PolarHBondContact O-N 3.13Å; V94-Q112 HydrophobicContact CG2-CG 4.35Å; V94-Q112 PolarHBondContact O-NE2 3.1Å; V94-I129 WeakPolarHBondContact O-CD1 3.28Å
95A81.6Confident79.9Confident8 Ų831.5 Ų31.57%0.06620%0.202CC..EExtended strand (participates in β ladder)trans-161.2157.3172.700000111.9F87 T108 Q112F87-A95 HydrophobicContact CB-CB 3.8Å; F87-A95 WeakPolarHBondContact CB-O 3.48Å; F87-A95 HydrophobicContact CD2-CB 3.94Å; F87-A95 WeakPolarHBondContact CD2-O 3.42Å; F87-A95 HydrophobicContact CG-CB 3.9Å; F87-A95 PolarHBondContact N-O 3.15Å; F87-A95 PolarHBondContact O-N 3.41Å; A95-T108 HydrophobicContact CB-CG2 3.79Å; A95-Q112 HydrophobicContact CB-CG 4.19Å
96V82.6Confident79.6Confident38 Ų3834.9 Ų34.923%0.2322%0.218CC..EExtended strand (participates in β ladder)trans-133.1130.2170.4178.80000108T84 F85 L86 L93 R98 D131T84-V96 HydrophobicContact CG2-CG1 4.16Å; F85-V96 WeakPolarHBondContact O-CA 3.38Å; L86-V96 HydrophobicContact CD2-CB 4.35Å; L86-V96 HydrophobicContact CD2-CG1 3.89Å; L86-V96 HydrophobicContact CD2-CG2 3.71Å; L93-V96 HydrophobicContact CD1-CG2 4.06Å; L93-V96 HydrophobicContact CD2-CG2 3.8Å; L93-V96 HydrophobicContact CG-CG2 4.23Å; V96-R98 HydrophobicContact CG1-CG 4.17Å; V96-D131 HydrophobicContact CG2-CB 4.2Å
97V80.2Confident79.3Confident8 Ų841.1 Ų41.15%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-121.3124.9173.1176.10000108F85 F87 L104 L105 T108F85-V97 HydrophobicContact CB-CB 4.33Å; F85-V97 HydrophobicContact CD2-CG1 4.47Å; F85-V97 PolarHBondContact N-O 3.16Å; F85-V97 PolarHBondContact O-N 3.05Å; F87-V97 HydrophobicContact CD2-CG2 4.47Å; F87-V97 HydrophobicContact CE2-CB 3.96Å; F87-V97 HydrophobicContact CE2-CG2 3.57Å; F87-V97 HydrophobicContact CZ-CG2 4.07Å; V97-L104 HydrophobicContact CG1-CD2 4.03Å; V97-L104 HydrophobicContact CG1-CG 4.25Å; V97-L105 HydrophobicContact CB-CD1 4.15Å; V97-L105 HydrophobicContact CG1-CD1 4.14Å; V97-L105 HydrophobicContact CG2-CD1 4.48Å; V97-T108 HydrophobicContact CG2-CG2 3.98Å
98R81.2Confident79.2Confident78 Ų7842 Ų4229%0.29425%0.251SS..EExtended strand (participates in β ladder)trans-107.6142.7176.5-56.6179.6-175.7-98.8-2.5109.2E82 T84 V96 D131E82-R98 HydrophobicContact CG-CB 4.45Å; E82-R98 VanDerWaalsContact OE1-CB 3.31Å; E82-R98 WeakPolarHBondContact OE1-CB 3.33Å; T84-R98 HydrophobicContact CG2-CG 4.29Å; V96-R98 HydrophobicContact CG1-CG 4.17Å; R98-D131 IonicContact NH2-OD1 2.71Å; R98-D131 PolarHBondContact NH2-OD1 2.93Å; R98-D131 IonicContact NH2-OD2 3.19Å; R98-D131 PolarHBondContact NH2-OD2 2.9Å
99G73.4Confident79.2Confident16 Ų1641.2 Ų41.217%0.16525%0.248CC..SBendtrans86159-177.200000114.3E82 P83 N101E82-G99 PolarHBondContact OE1-N 3.47Å; P83-G99 PolarHBondContact O-N 3.32Å; G99-N101 PolarHBondContact O-N 3.25Å
100A68.7Low79.3Confident63 Ų6344.9 Ų44.952%0.52127%0.267SS..SBendtrans-80.948.2-179.400000112.5P83 A102P83-A100 HydrophobicContact CG-CB 4.11Å; A100-A102 PolarHBondContact O-N 3.04Å
101N73.7Confident79.5Confident51 Ų5147 Ų4727%0.27327%0.269SS..  trans-85.990.9179.1-172.6-28.9000110.5G99 P103 L104 L105G99-N101 PolarHBondContact O-N 3.25Å; N101-P103 VanDerWaalsContact OD1-CD 3.28Å; N101-P103 WeakPolarHBondContact OD1-CD 3.29Å; N101-L104 HydrophobicContact CB-CB 3.96Å; N101-L104 PolarHBondContact O-N 2.93Å; N101-L104 WeakPolarHBondContact OD1-CB 3.43Å; N101-L104 PolarHBondContact OD1-N 2.92Å; N101-L105 VanDerWaalsContact O-CB 3.23Å; N101-L105 WeakPolarHBondContact O-CB 3.43Å; N101-L105 PolarHBondContact O-N 2.93Å
102A74.7Confident80Confident43 Ų4347.4 Ų47.436%0.35526%0.262SS..Hα-helixtrans-58.6-44.3-177.900000114.3L48 A100 L105 Q106L48-A102 HydrophobicContact CD2-CB 3.92Å; A100-A102 PolarHBondContact O-N 3.04Å; A102-L105 PolarHBondContact O-N 3.03Å; A102-Q106 WeakPolarHBondContact O-CB 3.32Å; A102-Q106 PolarHBondContact O-N 3.32Å
103P79.5Confident80.2Confident97 Ų9744.1 Ų44.163%0.6325%0.247SC*.Hα-helixtrans-61-45.8174.9-25.934.1000114N101 L105 Q106 K107N101-P103 VanDerWaalsContact OD1-CD 3.28Å; N101-P103 WeakPolarHBondContact OD1-CD 3.29Å; P103-L105 VanDerWaalsContact C-N 3.34Å; P103-Q106 PolarHBondContact O-N 3.42Å; P103-K107 WeakPolarHBondContact O-CB 3.44Å; P103-K107 PolarHBondContact O-N 2.76Å
104L79.4Confident80.3Confident76 Ų7648.5 Ų48.540%0.39827%0.267SS..Hα-helixtrans-64.1-42.1178.4178.660.9000111.1V97 N101 K107 T108V97-L104 HydrophobicContact CG1-CD2 4.03Å; V97-L104 HydrophobicContact CG1-CG 4.25Å; N101-L104 HydrophobicContact CB-CB 3.96Å; N101-L104 PolarHBondContact O-N 2.93Å; N101-L104 WeakPolarHBondContact OD1-CB 3.43Å; N101-L104 PolarHBondContact OD1-N 2.92Å; L104-K107 PolarHBondContact O-N 3.16Å; L104-T108 WeakPolarHBondContact O-CB 3.29Å; L104-T108 PolarHBondContact O-N 3.06Å; L104-T108 PolarHBondContact O-OG1 2.75Å
105L81.4Confident80.3Confident0 Ų050.2 Ų50.20%028%0.281CS..Hα-helixtrans-62.9-45.5177.9-165.968.4000111V45 L48 F49 F85 F87 V97 N101 A102 P103 T108 I109V45-L105 HydrophobicContact CB-CD2 4.3Å; V45-L105 HydrophobicContact CG1-CD2 4.02Å; L48-L105 HydrophobicContact CD2-CB 4.43Å; L48-L105 HydrophobicContact CD2-CD2 4.13Å; F49-L105 HydrophobicContact CD1-CD2 4.38Å; F49-L105 HydrophobicContact CE1-CD1 4.43Å; F49-L105 HydrophobicContact CE1-CD2 3.29Å; F49-L105 HydrophobicContact CE1-CG 3.83Å; F49-L105 HydrophobicContact CZ-CD2 3.57Å; F49-L105 HydrophobicContact CZ-CG 4.3Å; F85-L105 HydrophobicContact CB-CD1 3.75Å; F85-L105 HydrophobicContact CD1-CD1 4.29Å; F85-L105 HydrophobicContact CD1-CD2 4.5Å; F85-L105 HydrophobicContact CD2-CD1 3.7Å; F85-L105 HydrophobicContact CD2-CD2 4.28Å; F85-L105 HydrophobicContact CE1-CD2 4.44Å; F85-L105 HydrophobicContact CE2-CD1 4.42Å; F85-L105 HydrophobicContact CE2-CD2 4.21Å; F85-L105 HydrophobicContact CG-CD1 3.62Å; F85-L105 HydrophobicContact CG-CD2 4.42Å; F85-L105 HydrophobicContact CZ-CD2 4.3Å; F87-L105 HydrophobicContact CE2-CD1 4.05Å; F87-L105 HydrophobicContact CZ-CD1 3.65Å; V97-L105 HydrophobicContact CB-CD1 4.15Å; V97-L105 HydrophobicContact CG1-CD1 4.14Å; V97-L105 HydrophobicContact CG2-CD1 4.48Å; N101-L105 VanDerWaalsContact O-CB 3.23Å; N101-L105 WeakPolarHBondContact O-CB 3.43Å; N101-L105 PolarHBondContact O-N 2.93Å; A102-L105 PolarHBondContact O-N 3.03Å; P103-L105 VanDerWaalsContact C-N 3.34Å; L105-T108 PolarHBondContact O-N 3.38Å; L105-I109 HydrophobicContact CG-CD1 4.23Å; L105-I109 WeakPolarHBondContact O-CB 3.49Å; L105-I109 WeakPolarHBondContact O-CG1 3.5Å; L105-I109 PolarHBondContact O-N 3.49Å
106Q81.5Confident80.3Confident72 Ų7250.3 Ų50.334%0.33628%0.281SS..Hα-helixtrans-61.4-46.8176.2-178176.7-23.100111.8L48 M52 A102 P103 I109 L110L48-Q106 HydrophobicContact CD1-CB 4.36Å; M52-Q106 HydrophobicContact CE-CG 3.86Å; M52-Q106 HydrophobicContact SD-CB 4.07Å; M52-Q106 HydrophobicContact SD-CG 3.85Å; A102-Q106 WeakPolarHBondContact O-CB 3.32Å; A102-Q106 PolarHBondContact O-N 3.32Å; P103-Q106 PolarHBondContact O-N 3.42Å; Q106-I109 PolarHBondContact O-N 3.35Å; Q106-L110 HydrophobicContact CG-CD1 4.38Å; Q106-L110 WeakPolarHBondContact O-CG 3.43Å; Q106-L110 PolarHBondContact O-N 3.48Å; Q106-L110 VanDerWaalsContact O-N 3.1Å
107K81.9Confident80.2Confident131 Ų13153.3 Ų53.357%0.5729%0.291SS*.Hα-helixtrans-60.4-48.7177.4-176.7-177.8175-175.30111.3P103 L104 I109 L110 D111P103-K107 WeakPolarHBondContact O-CB 3.44Å; P103-K107 PolarHBondContact O-N 2.76Å; L104-K107 PolarHBondContact O-N 3.16Å; K107-I109 VanDerWaalsContact C-N 3.34Å; K107-I109 PolarHBondContact O-N 2.87Å; K107-L110 PolarHBondContact O-N 3.38Å; K107-L110 VanDerWaalsContact O-N 3.13Å; K107-D111 WeakPolarHBondContact CE-OD2 3.41Å; K107-D111 VanDerWaalsContact O-CG 3.28Å; K107-D111 PolarHBondContact O-N 2.85Å
108T84.3Confident80.1Confident19 Ų1957.1 Ų57.112%0.11731%0.306CS..Hα-helixtrans-61.4-42.4-179.5-53.30000111.5F87 A95 V97 L104 L105 L110 D111 Q112F87-T108 HydrophobicContact CD1-CG2 4.26Å; F87-T108 HydrophobicContact CD2-CG2 4.43Å; F87-T108 HydrophobicContact CE1-CG2 3.84Å; F87-T108 HydrophobicContact CE2-CG2 4.08Å; F87-T108 HydrophobicContact CZ-CG2 3.76Å; A95-T108 HydrophobicContact CB-CG2 3.79Å; V97-T108 HydrophobicContact CG2-CG2 3.98Å; L104-T108 WeakPolarHBondContact O-CB 3.29Å; L104-T108 PolarHBondContact O-N 3.06Å; L104-T108 PolarHBondContact O-OG1 2.75Å; L105-T108 PolarHBondContact O-N 3.38Å; T108-L110 PolarHBondContact O-N 2.84Å; T108-D111 PolarHBondContact O-N 2.84Å; T108-Q112 HydrophobicContact CG2-CG 4.15Å; T108-Q112 WeakPolarHBondContact O-CB 3.33Å; T108-Q112 VanDerWaalsContact O-CG 3.23Å; T108-Q112 WeakPolarHBondContact O-CG 3.31Å; T108-Q112 PolarHBondContact O-N 3.38Å
109I85.7Confident80.1Confident0 Ų054.4 Ų54.40%030%0.299CS..Hα-helixtrans-58.5-48.1174.8-70.2166.9000110.4V31 F49 M52 L61 F63 F87 L105 Q106 K107 L113V31-I109 HydrophobicContact CG2-CG1 4.19Å; F49-I109 HydrophobicContact CD1-CD1 4.06Å; F49-I109 HydrophobicContact CE1-CD1 3.81Å; M52-I109 HydrophobicContact CE-CB 3.59Å; M52-I109 HydrophobicContact CE-CD1 4.28Å; M52-I109 HydrophobicContact CE-CG2 3.31Å; M52-I109 HydrophobicContact SD-CB 3.98Å; M52-I109 HydrophobicContact SD-CD1 3.47Å; M52-I109 WeakPolarHBondContact SD-CD1 3.17Å; M52-I109 HydrophobicContact SD-CG1 4.29Å; M52-I109 HydrophobicContact SD-CG2 3.95Å; L61-I109 HydrophobicContact CD1-CG2 3.96Å; L61-I109 HydrophobicContact CD2-CG2 3.93Å; F63-I109 HydrophobicContact CE1-CD1 4.12Å; F63-I109 HydrophobicContact CZ-CD1 4.31Å; F87-I109 HydrophobicContact CE1-CB 4.37Å; F87-I109 HydrophobicContact CE1-CG1 3.48Å; F87-I109 VanDerWaalsContact CE1-CG1 3.48Å; F87-I109 HydrophobicContact CZ-CG1 4.04Å; L105-I109 HydrophobicContact CG-CD1 4.23Å; L105-I109 WeakPolarHBondContact O-CB 3.49Å; L105-I109 WeakPolarHBondContact O-CG1 3.5Å; L105-I109 PolarHBondContact O-N 3.49Å; Q106-I109 PolarHBondContact O-N 3.35Å; K107-I109 VanDerWaalsContact C-N 3.34Å; K107-I109 PolarHBondContact O-N 2.87Å; I109-L113 HydrophobicContact CG2-CD1 3.56Å; I109-L113 HydrophobicContact CG2-CG 4.34Å; I109-L113 VanDerWaalsContact O-CB 3.28Å; I109-L113 WeakPolarHBondContact O-CB 3.39Å; I109-L113 VanDerWaalsContact O-CD1 3.28Å; I109-L113 WeakPolarHBondContact O-CD1 3.19Å; I109-L113 WeakPolarHBondContact O-CG 3.47Å; I109-L113 PolarHBondContact O-N 2.85Å
110L83.6Confident80.1Confident81 Ų8157.2 Ų57.242%0.42431%0.31SS..Hα-helixtrans-63.9-46.2-179.6-69.2173.4000112.3M52 V56 Q106 K107 T108 L113 E114M52-L110 HydrophobicContact CE-CD2 3.99Å; M52-L110 HydrophobicContact CE-CG 3.86Å; V56-L110 HydrophobicContact CG2-CD2 4.27Å; Q106-L110 HydrophobicContact CG-CD1 4.38Å; Q106-L110 WeakPolarHBondContact O-CG 3.43Å; Q106-L110 PolarHBondContact O-N 3.48Å; Q106-L110 VanDerWaalsContact O-N 3.1Å; K107-L110 PolarHBondContact O-N 3.38Å; K107-L110 VanDerWaalsContact O-N 3.13Å; T108-L110 PolarHBondContact O-N 2.84Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-E114 PolarHBondContact O-N 2.83Å
111D82.6Confident80.4Confident79 Ų7958.3 Ų58.342%0.42232%0.318SS..Hα-helixtrans-62.2-45.7-179.3-68.5-12.7000110.8K107 T108 E114 A115K107-D111 WeakPolarHBondContact CE-OD2 3.41Å; K107-D111 VanDerWaalsContact O-CG 3.28Å; K107-D111 PolarHBondContact O-N 2.85Å; T108-D111 PolarHBondContact O-N 2.84Å; D111-E114 PolarHBondContact O-N 3.02Å; D111-A115 WeakPolarHBondContact O-CB 3.3Å; D111-A115 PolarHBondContact O-N 3.28Å
112Q84.7Confident80.1Confident44 Ų4462.1 Ų62.121%0.20634%0.335CS..Hα-helixtrans-71.2-33.6179.6-65-58.6-2200112.7L29 V94 A95 T108 A115 E116L29-Q112 HydrophobicContact CD1-CB 3.86Å; L29-Q112 HydrophobicContact CD2-CB 3.78Å; V94-Q112 HydrophobicContact CG2-CG 4.35Å; V94-Q112 PolarHBondContact O-NE2 3.1Å; A95-Q112 HydrophobicContact CB-CG 4.19Å; T108-Q112 HydrophobicContact CG2-CG 4.15Å; T108-Q112 WeakPolarHBondContact O-CB 3.33Å; T108-Q112 VanDerWaalsContact O-CG 3.23Å; T108-Q112 WeakPolarHBondContact O-CG 3.31Å; T108-Q112 PolarHBondContact O-N 3.38Å; Q112-A115 PolarHBondContact O-N 2.77Å; Q112-E116 WeakPolarHBondContact O-CB 3.25Å; Q112-E116 PolarHBondContact O-N 2.92Å
113L83.3Confident79.3Confident5 Ų563.3 Ų63.33%0.02635%0.351CS..Hα-helixtrans-66.5-38.9171.9-78.3164.5000112.3L29 V56 L60 L61 I109 L110 K117L29-L113 HydrophobicContact CB-CD2 3.83Å; L29-L113 HydrophobicContact CB-CG 4.36Å; L29-L113 HydrophobicContact CD2-CD2 4.19Å; L29-L113 HydrophobicContact CD2-CG 3.8Å; V56-L113 HydrophobicContact CB-CD1 4.18Å; V56-L113 HydrophobicContact CG1-CD1 3.44Å; V56-L113 VanDerWaalsContact CG1-CD1 3.44Å; V56-L113 HydrophobicContact CG1-CD2 4.09Å; V56-L113 HydrophobicContact CG1-CG 4.33Å; V56-L113 HydrophobicContact CG2-CD1 3.79Å; L60-L113 HydrophobicContact CB-CD2 4.42Å; L61-L113 HydrophobicContact CB-CD2 4.25Å; L61-L113 HydrophobicContact CD1-CD1 4.33Å; L61-L113 HydrophobicContact CD1-CD2 4.28Å; L61-L113 HydrophobicContact CD1-CG 4.48Å; L61-L113 HydrophobicContact CD2-CD1 4.28Å; I109-L113 HydrophobicContact CG2-CD1 3.56Å; I109-L113 HydrophobicContact CG2-CG 4.34Å; I109-L113 VanDerWaalsContact O-CB 3.28Å; I109-L113 WeakPolarHBondContact O-CB 3.39Å; I109-L113 VanDerWaalsContact O-CD1 3.28Å; I109-L113 WeakPolarHBondContact O-CD1 3.19Å; I109-L113 WeakPolarHBondContact O-CG 3.47Å; I109-L113 PolarHBondContact O-N 2.85Å; L110-L113 PolarHBondContact O-N 2.83Å; L113-K117 WeakPolarHBondContact O-CB 3.37Å; L113-K117 VanDerWaalsContact O-CG 3.25Å; L113-K117 WeakPolarHBondContact O-CG 3.18Å; L113-K117 PolarHBondContact O-N 2.89Å
114E81.8Confident78.1Confident103 Ų10366.6 Ų66.648%0.48135%0.351SS..Hα-helixtrans-66.5-41.7175.1-167.6-177.1154.200110.8L110 D111 K117 K118L110-E114 PolarHBondContact O-N 2.83Å; D111-E114 PolarHBondContact O-N 3.02Å; E114-K117 PolarHBondContact O-N 2.7Å; E114-K118 WeakPolarHBondContact O-CG 3.47Å; E114-K118 PolarHBondContact O-N 2.68Å; E114-K118 VanDerWaalsContact OE1-CE 3.26Å; E114-K118 WeakPolarHBondContact OE1-CE 3.15Å; E114-K118 IonicContact OE1-NZ 2.69Å; E114-K118 PolarHBondContact OE1-NZ 3.38Å
115A81Confident76.8Confident42 Ų4271.9 Ų71.935%0.34737%0.373SS..Hα-helixtrans-59.8-47.6173.500000111.7D111 Q112 K117 K118 V119D111-A115 WeakPolarHBondContact O-CB 3.3Å; D111-A115 PolarHBondContact O-N 3.28Å; Q112-A115 PolarHBondContact O-N 2.77Å; A115-K117 VanDerWaalsContact C-N 3.35Å; A115-K117 PolarHBondContact O-N 2.83Å; A115-K118 WeakPolarHBondContact O-CB 3.41Å; A115-K118 PolarHBondContact O-N 3.49Å; A115-K118 VanDerWaalsContact O-N 3.14Å; A115-V119 WeakPolarHBondContact O-CG2 3.33Å; A115-V119 PolarHBondContact O-N 3.03Å
116E81.1Confident76Confident10 Ų1076.8 Ų76.85%0.04739%0.392CS..Hα-helixtrans-64.5-37.8178.4-179.561.3-172.500111.8Q112 K118 V119 L120Q112-E116 WeakPolarHBondContact O-CB 3.25Å; Q112-E116 PolarHBondContact O-N 2.92Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.01Å; E116-V119 PolarHBondContact O-N 2.92Å; E116-L120 HydrophobicContact CG-CD1 4.04Å; E116-L120 HydrophobicContact CG-CG 4.42Å; E116-L120 WeakPolarHBondContact O-CB 3.24Å; E116-L120 VanDerWaalsContact O-CG 3.28Å; E116-L120 WeakPolarHBondContact O-CG 3.41Å; E116-L120 PolarHBondContact O-N 2.93Å
117K81.3Confident74.8Confident102 Ų10281 Ų8144%0.44341%0.409SS..Hα-helixtrans-61.8-40.5172.9-77.6173.2-178.2177.90111.9L60 L113 E114 A115 A121L60-K117 HydrophobicContact CD1-CG 4.35Å; L113-K117 WeakPolarHBondContact O-CB 3.37Å; L113-K117 VanDerWaalsContact O-CG 3.25Å; L113-K117 WeakPolarHBondContact O-CG 3.18Å; L113-K117 PolarHBondContact O-N 2.89Å; E114-K117 PolarHBondContact O-N 2.7Å; A115-K117 VanDerWaalsContact C-N 3.35Å; A115-K117 PolarHBondContact O-N 2.83Å; K117-A121 VanDerWaalsContact O-CB 3.22Å; K117-A121 WeakPolarHBondContact O-CB 3.21Å; K117-A121 PolarHBondContact O-N 3.39Å
118K78.3Confident74Confident87 Ų8778.3 Ų78.338%0.37840%0.403SS..Hα-helixtrans-66.9-42.1175.5-71.7171.5-175.7165.50111.4E114 A115 E116 A121 E122E114-K118 WeakPolarHBondContact O-CG 3.47Å; E114-K118 PolarHBondContact O-N 2.68Å; E114-K118 VanDerWaalsContact OE1-CE 3.26Å; E114-K118 WeakPolarHBondContact OE1-CE 3.15Å; E114-K118 IonicContact OE1-NZ 2.69Å; E114-K118 PolarHBondContact OE1-NZ 3.38Å; A115-K118 WeakPolarHBondContact O-CB 3.41Å; A115-K118 PolarHBondContact O-N 3.49Å; A115-K118 VanDerWaalsContact O-N 3.14Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.01Å; K118-A121 PolarHBondContact O-N 2.99Å; K118-E122 VanDerWaalsContact O-CB 3.3Å; K118-E122 WeakPolarHBondContact O-CB 3.27Å; K118-E122 PolarHBondContact O-N 2.91Å
119V80.6Confident73.2Confident22 Ų2281.2 Ų81.213%0.13342%0.417CS..Hα-helixtrans-60.5-47.2174.8168.30000111.2A115 E116 A121 G123 R124 R126A115-V119 WeakPolarHBondContact O-CG2 3.33Å; A115-V119 PolarHBondContact O-N 3.03Å; E116-V119 PolarHBondContact O-N 2.92Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.38Å; V119-G123 VanDerWaalsContact O-CA 3.31Å; V119-G123 WeakPolarHBondContact O-CA 3.33Å; V119-G123 PolarHBondContact O-N 3.45Å; V119-R124 WeakPolarHBondContact CG1-O 3.19Å; V119-R124 HydrophobicContact CG2-CB 4.24Å; V119-R126 HydrophobicContact CG1-CG 4.06Å; V119-R126 HydrophobicContact CG2-CG 4.46Å
120L74.1Confident71.6Confident75 Ų7589.8 Ų89.839%0.39345%0.454SS..Hα-helixtrans-68-28.8179.6-71.4172.5000113.7L60 E116L60-L120 HydrophobicContact CD2-CD1 4.15Å; E116-L120 HydrophobicContact CG-CD1 4.04Å; E116-L120 HydrophobicContact CG-CG 4.42Å; E116-L120 WeakPolarHBondContact O-CB 3.24Å; E116-L120 VanDerWaalsContact O-CG 3.28Å; E116-L120 WeakPolarHBondContact O-CG 3.41Å; E116-L120 PolarHBondContact O-N 2.93Å
121A74.1Confident70.3Confident85 Ų8586.9 Ų86.970%0.70244%0.44SS*.Hα-helixtrans-91-37.7-178.700000113.6K117 K118 V119K117-A121 VanDerWaalsContact O-CB 3.22Å; K117-A121 WeakPolarHBondContact O-CB 3.21Å; K117-A121 PolarHBondContact O-N 3.39Å; K118-A121 PolarHBondContact O-N 2.99Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.38Å
122E67.2Low68.7Low132 Ų13291.7 Ų91.762%0.61746%0.459SS*.Hα-helixtrans-112.3-6.1-169.8-57.6177.8173.500113.2K118 R124K118-E122 VanDerWaalsContact O-CB 3.3Å; K118-E122 WeakPolarHBondContact O-CB 3.27Å; K118-E122 PolarHBondContact O-N 2.91Å; E122-R124 VanDerWaalsContact C-N 3.27Å; E122-R124 PolarHBondContact O-N 3.41Å
123G58.5Low67Low67 Ų6790.3 Ų90.369%0.69146%0.455SS*.  trans68.622.9-179.700000114.1V119V119-G123 VanDerWaalsContact O-CA 3.31Å; V119-G123 WeakPolarHBondContact O-CA 3.33Å; V119-G123 PolarHBondContact O-N 3.45Å
124R54.6Low65.4Low167 Ų16792.7 Ų92.763%0.6347%0.468SS*.PPolyproline II helixtrans-61.9151175.3-98.2-177.8177.3-157.1-1.9112V119 E122V119-R124 WeakPolarHBondContact CG1-O 3.19Å; V119-R124 HydrophobicContact CG2-CB 4.24Å; E122-R124 VanDerWaalsContact C-N 3.27Å; E122-R124 PolarHBondContact O-N 3.41Å
125E52.4Low63.4Low186 Ų18690.4 Ų90.487%0.86946%0.464SS*.PPolyproline II helixtrans-68.2141.2172.9-69.6179161.400111.1
126R62.7Low61.5Low103 Ų10394.9 Ų94.939%0.38948%0.482SS..PPolyproline II helixtrans-74.4138.1178.4-66.2-174.2-173.592.23.1109.8E92 V119 V128E92-R126 WeakPolarHBondContact OE2-CB 3.28Å; E92-R126 WeakPolarHBondContact OE2-CD 3.28Å; V119-R126 HydrophobicContact CG1-CG 4.06Å; V119-R126 HydrophobicContact CG2-CG 4.46Å; R126-V128 PolarHBondContact O-N 3.28Å
127K58.3Low59.4Low160 Ų160103.7 Ų103.770%0.69652%0.523SS*.  trans-80.194.3169.8-72.8-168.9173.9-164.50108.7
128V64.8Low57.1Low75 Ų75106.7 Ų106.746%0.45554%0.544SS..  trans-79.4124.7176.4-172.90000109.5E92 R126E92-V128 HydrophobicContact CB-CG1 4.28Å; E92-V128 HydrophobicContact CB-CG2 4Å; E92-V128 HydrophobicContact CG-CG2 4.04Å; E92-V128 WeakPolarHBondContact OE1-CG2 3.23Å; E92-V128 WeakPolarHBondContact OE2-CG2 3.47Å; R126-V128 PolarHBondContact O-N 3.28Å
129I67.3Low54.9Low80 Ų80111.7 Ų111.741%0.4157%0.568SS.*  trans-100.4134.6171.4-57.9-173.1000108.4L93 V94L93-I129 PolarHBondContact O-N 2.97Å; V94-I129 WeakPolarHBondContact O-CD1 3.28Å
130K52Low52.6Low180 Ų180116 Ų11678%0.78360%0.598SS**  trans-95.5115.8163.5-68.3-176177.3-177.40107.6
131D55.3Low50.4Low21 Ų21118.4 Ų118.411%0.11262%0.616CS.*  trans-74.3131.7167.5-172.4-85.6000107.8Y77 L93 V96 R98 A133 L134 S135Y77-D131 VanDerWaalsContact OH-CG 3.25Å; Y77-D131 PolarHBondContact OH-OD1 2.99Å; L93-D131 HydrophobicContact CD2-CB 3.87Å; V96-D131 HydrophobicContact CG2-CB 4.2Å; R98-D131 IonicContact NH2-OD1 2.71Å; R98-D131 PolarHBondContact NH2-OD1 2.93Å; R98-D131 IonicContact NH2-OD2 3.19Å; R98-D131 PolarHBondContact NH2-OD2 2.9Å; D131-A133 PolarHBondContact O-N 3.28Å; D131-A133 WeakPolarHBondContact OD1-CA 3.33Å; D131-A133 WeakPolarHBondContact OD1-CB 3.35Å; D131-A133 PolarHBondContact OD1-N 3.03Å; D131-L134 HydrophobicContact CB-CD1 4.31Å; D131-L134 HydrophobicContact CB-CG 4.47Å; D131-L134 PolarHBondContact O-N 3.38Å; D131-S135 PolarHBondContact O-N 3.12Å
132E50Low48.6Very low179 Ų179118.8 Ų118.884%0.83661%0.613SS**THydrogen-bonded Turntrans-53.5-22.1176.7-66.9-82.6142.900112.3S135E132-S135 PolarHBondContact O-OG 3.14Å
133A49Very low47Very low15 Ų15121.2 Ų121.212%0.12462%0.624CS.*THydrogen-bonded Turntrans-89.810.217500000113.9K76 Y77 D131K76-A133 HydrophobicContact CB-CB 4.02Å; K76-A133 WeakPolarHBondContact CB-O 3.45Å; K76-A133 VanDerWaalsContact CD-C 3.49Å; K76-A133 WeakPolarHBondContact CD-O 3.03Å; Y77-A133 HydrophobicContact CE2-CB 4.43Å; D131-A133 PolarHBondContact O-N 3.28Å; D131-A133 WeakPolarHBondContact OD1-CA 3.33Å; D131-A133 WeakPolarHBondContact OD1-CB 3.35Å; D131-A133 PolarHBondContact OD1-N 3.03Å
134L50.1Low45.5Very low55 Ų55121.6 Ų121.629%0.28863%0.628SS.*THydrogen-bonded Turntrans-130.3-10.2176.6-70.4174.6000112.7V73 Y77 L93 D131 D136V73-L134 WeakPolarHBondContact O-CD2 3.39Å; Y77-L134 HydrophobicContact CE2-CD1 4.42Å; Y77-L134 HydrophobicContact CE2-CD2 3.91Å; Y77-L134 HydrophobicContact CE2-CG 4.03Å; L93-L134 HydrophobicContact CD2-CD1 4Å; D131-L134 HydrophobicContact CB-CD1 4.31Å; D131-L134 HydrophobicContact CB-CG 4.47Å; D131-L134 PolarHBondContact O-N 3.38Å; L134-D136 PolarHBondContact O-N 3.32Å
135S39.9Very low44.4Very low56 Ų56123.1 Ų123.139%0.39264%0.639SS.*  trans-72.6120169.244.80000110.4K76 D131 E132K76-S135 PolarHBondContact NZ-O 2.88Å; D131-S135 PolarHBondContact O-N 3.12Å; E132-S135 PolarHBondContact O-OG 3.14Å
136D39.8Very low43.2Very low136 Ų136121 Ų12173%0.72763%0.634SS**  trans-82.8117.7165.7-66-34.1000108.6K76 L134K76-D136 IonicContact NZ-OD1 2.99Å; K76-D136 PolarHBondContact NZ-OD1 3.03Å; L134-D136 PolarHBondContact O-N 3.32Å
137E36.6Very low41.5Very low194 Ų194124 Ų12491%0.90766%0.658SS**  177.6115.8125.3-91.7175.2175.600109.6
138D32.9Very low40Very low165 Ų165119.3 Ų119.388%0.88266%0.655SS**  trans-57.6124.2158.2-80.9-56.9000109.2
139E31.8Very low38.5Very low193 Ų193124.6 Ų124.690%0.90268%0.675SS**  trans-177136.9134-93.5-97.4137.600109.8
140C33.9Very low36.7Very low113 Ų113128.9 Ų128.976%0.76470%0.699SS**  trans-82.7159.5179.5-155.40000110.1
141V26.6Very low36Very low124 Ų124128.2 Ų128.275%0.75270%0.699SS**  trans10298.3156.5-164.50000119.1
142S37.3Very low34.9Very low94 Ų94134.3 Ų134.366%0.65773%0.731SS**  trans68.7147.5133.288.60000123.1
143H32.3Very low34.3Very low182 Ų182133.6 Ų133.684%0.84373%0.729SS**  trans82.389.8164.2-67.274.5000118.5
144G26.8Very low33.3Very low75 Ų75139.2 Ų139.277%0.77376%0.762SS**  75.4110.3103.400000119.5
145K32.3Very low32.8Very low199 Ų199141.5 Ų141.587%0.86578%0.783SS**  trans95.1109.1144.4-68-177.6173.8179.70119.7
146N27.8Very low32.6Very low141 Ų141143.6 Ų143.675%0.75480%0.798SS**  59.2114.9124.1-73.419.7000120.5
147N27.2Very low33.1Very low166 Ų166144.1 Ų144.189%0.88880%0.795SS**  164.6121.3114.9-76.7-16000105
148G25.8Very low34.4Very low63 Ų63142.8 Ų142.865%0.64978%0.782SS**  cis136.4118.724.400000106.1
149E34Very low36.6Very low185 Ų185136.7 Ų136.786%0.86475%0.751SS**  trans70.6117155.4-58158.2-157.500116.3
150D29.9Very low39.3Very low170 Ų170128.2 Ų128.291%0.90971%0.713SS**  -146.5125.670.5-141.5-8.4000112
151E36.2Very low42.2Very low167 Ų167122.8 Ų122.878%0.7868%0.676SS**  trans-86.6138-167.7-60.8-170.214500111.9M153E151-M153 VanDerWaalsContact C-N 3.28Å; E151-M153 PolarHBondContact O-N 3.14Å
152D32.3Very low45.4Very low148 Ų148116.9 Ų116.979%0.79164%0.641SS**  trans-69.290.4164.7-115.2-15.2000108.7V154D152-V154 PolarHBondContact O-N 2.84Å; D152-V154 VanDerWaalsContact O-N 3.1Å
153M37.8Very low48.2Very low164 Ų164112.5 Ų112.581%0.80861%0.61SS**  trans-73.692.1170.1-175178.7135.300109.9E151E151-M153 VanDerWaalsContact C-N 3.28Å; E151-M153 PolarHBondContact O-N 3.14Å
154V27.7Very low51.3Low133 Ų133103.9 Ų103.981%0.80657%0.57SS**  trans-131.693.4153.21770000108.7D152 S156D152-V154 PolarHBondContact O-N 2.84Å; D152-V154 VanDerWaalsContact O-N 3.1Å; V154-S156 PolarHBondContact O-N 3.5Å
155S39Very low54.7Low103 Ų103100.3 Ų100.372%0.7253%0.533SS*.  trans-69.1111.8174.9-55.60000111.9
156S37.4Very low57.7Low101 Ų10191.1 Ų91.171%0.70649%0.493SS*.  trans-160104.5144.6-78.20000107.6V154 R158V154-S156 PolarHBondContact O-N 3.5Å; S156-R158 PolarHBondContact O-N 3.36Å
157E50.2Low61Low146 Ų14684.7 Ų84.768%0.68246%0.459SS*.  trans-55.8100.1174.9-64.7171.6168.400109.3T159E157-T159 PolarHBondContact O-N 3.34Å; E157-T159 VanDerWaalsContact O-N 3.14Å
158R63.1Low64.1Low166 Ų16677.5 Ų77.563%0.62642%0.421SS*.  trans-74.5106.8178.1-73.3-177.8-176.11571109S156 C160S156-R158 PolarHBondContact O-N 3.36Å; R158-C160 PolarHBondContact O-N 3.06Å; R158-C160 PolarHBondContact O-SG 3.36Å
159T79.5Confident67.4Low38 Ų3874.6 Ų74.623%0.23339%0.39CS..  trans-65.5130.2173.759.90000109.9E157 T233E157-T159 PolarHBondContact O-N 3.34Å; E157-T159 VanDerWaalsContact O-N 3.14Å; T159-T233 PolarHBondContact O-OG1 3.03Å
160C88.7Confident70.3Confident14 Ų1466.9 Ų66.910%0.09536%0.356CS..EExtended strand (participates in β ladder)trans-122154.1179.2-60.90000110.6R158 I231 L232 L291 F300R158-C160 PolarHBondContact O-N 3.06Å; R158-C160 PolarHBondContact O-SG 3.36Å; C160-I231 HydrophobicContact CB-CG2 4.05Å; C160-L232 CarbonylContact C-O 3.56Å; C160-L232 VanDerWaalsContact CA-O 3.27Å; C160-L232 WeakPolarHBondContact CA-O 3.44Å; C160-L291 HydrophobicContact CB-CD1 4.38Å; C160-F300 HydrophobicContact CB-CE1 3.79Å; C160-F300 HydrophobicContact CB-CZ 4.04Å
161T94Very high73.3Confident0 Ų063 Ų630%035%0.348CS..EExtended strand (participates in β ladder)trans-135.9152.2173-173.70000110.4L232 V241 W245T161-L232 HydrophobicContact CG2-CB 3.9Å; T161-L232 PolarHBondContact N-O 3.27Å; T161-L232 PolarHBondContact O-N 2.7Å; T161-V241 HydrophobicContact CG2-CG1 4.22Å; T161-V241 HydrophobicContact CG2-CG2 3.81Å; T161-W245 HydrophobicContact CG2-CB 4.12Å; T161-W245 HydrophobicContact CG2-CG 4.33Å
162L94.4Very high76Confident0 Ų061.5 Ų61.50%034%0.34CS..EExtended strand (participates in β ladder)trans-78.2136.8168.7-178.769.4000110.5I164 F205 G280 E290 L291 L294 F295L162-I164 HydrophobicContact CD1-CG1 4.36Å; L162-I164 HydrophobicContact CD2-CD1 4.03Å; L162-I164 HydrophobicContact CD2-CG1 4.06Å; L162-I164 HydrophobicContact CG-CG1 4.08Å; L162-F205 HydrophobicContact CD2-CE2 3.58Å; L162-F205 HydrophobicContact CD2-CZ 3.81Å; L162-G280 WeakPolarHBondContact O-CA 3.19Å; L162-E290 HydrophobicContact CB-CB 4.48Å; L162-E290 HydrophobicContact CD2-CB 3.72Å; L162-L291 HydrophobicContact CB-CD2 4.03Å; L162-L291 HydrophobicContact CB-CG 4.24Å; L162-L291 HydrophobicContact CD1-CD2 4.2Å; L162-L294 HydrophobicContact CD1-CD1 4.41Å; L162-L294 HydrophobicContact CD2-CD1 3.59Å; L162-F295 HydrophobicContact CD1-CD2 4.41Å; L162-F295 HydrophobicContact CD1-CE2 3.74Å
163A96.4Very high78.9Confident1 Ų157.3 Ų57.31%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-126.8138.8163.200000109.7L230 L232 W245 H279A163-L230 HydrophobicContact CB-CB 4.15Å; A163-L230 PolarHBondContact N-O 2.94Å; A163-L230 PolarHBondContact O-N 3.3Å; A163-L232 HydrophobicContact CB-CD1 3.52Å; A163-L232 HydrophobicContact CB-CG 3.8Å; A163-W245 HydrophobicContact CB-CD2 4.35Å; A163-W245 HydrophobicContact CB-CH2 4.28Å; A163-W245 HydrophobicContact CB-CZ2 3.48Å; A163-W245 VanDerWaalsContact CB-CZ2 3.48Å; A163-H279 WeakPolarHBondContact CA-O 3.29Å
164I97Very high81.6Confident1 Ų153.1 Ų53.11%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-124.3126175.2-46.6171.9000108.9L162 F205 M222 H228 V278 H279 L294L162-I164 HydrophobicContact CD1-CG1 4.36Å; L162-I164 HydrophobicContact CD2-CD1 4.03Å; L162-I164 HydrophobicContact CD2-CG1 4.06Å; L162-I164 HydrophobicContact CG-CG1 4.08Å; I164-F205 HydrophobicContact CD1-CE1 4.46Å; I164-F205 HydrophobicContact CD1-CE2 4.36Å; I164-F205 HydrophobicContact CD1-CZ 3.95Å; I164-M222 HydrophobicContact CD1-CE 4.39Å; I164-M222 HydrophobicContact CG2-CE 4.07Å; I164-H228 CarbonylContact C-O 3.54Å; I164-H228 WeakPolarHBondContact CA-O 3.38Å; I164-V278 CarbonylContact O-C 3.42Å; I164-V278 VanDerWaalsContact O-CA 3.26Å; I164-V278 WeakPolarHBondContact O-CA 3.39Å; I164-H279 HydrophobicContact CB-CB 4.03Å; I164-H279 HydrophobicContact CD1-CB 4.36Å; I164-H279 HydrophobicContact CG1-CB 4.37Å; I164-H279 PolarHBondContact N-O 3.09Å; I164-H279 PolarHBondContact O-N 2.91Å; I164-L294 HydrophobicContact CD1-CD1 4.31Å
165I97.5Very high84.8Confident1 Ų147.4 Ų47.41%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-87.5112.2163.9-53.6176.7000106.7A169 V170 T175 I178 I179 S227 H228 L230I165-A169 HydrophobicContact CG2-CB 3.72Å; I165-V170 HydrophobicContact CG2-CG2 4Å; I165-T175 HydrophobicContact CD1-CG2 4.03Å; I165-I178 HydrophobicContact CD1-CB 4.12Å; I165-I178 HydrophobicContact CD1-CG2 3.77Å; I165-I178 HydrophobicContact CG1-CG2 4.01Å; I165-I178 HydrophobicContact CG2-CD1 3.98Å; I165-I179 HydrophobicContact CD1-CG1 3.94Å; I165-S227 VanDerWaalsContact O-CA 3.3Å; I165-S227 WeakPolarHBondContact O-CA 3.4Å; I165-S227 WeakPolarHBondContact O-CB 3.26Å; I165-H228 HydrophobicContact CB-CB 4.1Å; I165-H228 HydrophobicContact CD1-CB 4.27Å; I165-H228 HydrophobicContact CG1-CB 4.38Å; I165-H228 PolarHBondContact N-O 2.92Å; I165-H228 PolarHBondContact O-N 2.74Å; I165-L230 HydrophobicContact CD1-CD1 3.99Å; I165-L230 HydrophobicContact CG1-CD1 4.24Å
166K96.6Very high87.4Confident5 Ų548.8 Ų48.82%0.02227%0.274CS..  trans-74.3161.2-170.5-67.6-174.4166.9-175.60112.5D168 A169 V170 M222 P274 N276 A277K166-D168 WeakPolarHBondContact CB-OD1 3.49Å; K166-D168 PolarHBondContact O-N 3.48Å; K166-D168 VanDerWaalsContact O-N 3.09Å; K166-A169 PolarHBondContact O-N 3.24Å; K166-V170 WeakPolarHBondContact O-CG2 3.27Å; K166-V170 PolarHBondContact O-N 3.09Å; K166-M222 HydrophobicContact CB-SD 4.41Å; K166-M222 HydrophobicContact CD-SD 3.97Å; K166-M222 HydrophobicContact CG-CE 4.44Å; K166-M222 HydrophobicContact CG-SD 3.79Å; K166-P274 PolarHBondContact NZ-O 2.79Å; K166-N276 WeakPolarHBondContact CE-OD1 3.3Å; K166-N276 PolarHBondContact NZ-OD1 3.44Å; K166-A277 WeakPolarHBondContact CB-O 3.37Å; K166-A277 PolarHBondContact N-O 2.91Å
167P95.9Very high90.2Very high7 Ų747.3 Ų47.35%0.04526%0.256CS..Hα-helixtrans-58.6-29.4-175.1-26.537.1000114.5V170 A171 P226 S227P167-V170 PolarHBondContact O-N 2.95Å; P167-A171 WeakPolarHBondContact O-CB 3.35Å; P167-A171 PolarHBondContact O-N 3.5Å; P167-P226 WeakPolarHBondContact CA-O 3.14Å; P167-S227 VanDerWaalsContact CD-OG 3.25Å; P167-S227 WeakPolarHBondContact CD-OG 3.29Å; P167-S227 WeakPolarHBondContact CG-OG 3.4Å
168D93.5Very high92.4Very high14 Ų1440.3 Ų40.38%0.07522%0.224CC..Hα-helixtrans-61.6-48.5174.150.5-49.4000111.5K166 V170 A171 H172 H221 F275 A277K166-D168 WeakPolarHBondContact CB-OD1 3.49Å; K166-D168 PolarHBondContact O-N 3.48Å; K166-D168 VanDerWaalsContact O-N 3.09Å; D168-V170 VanDerWaalsContact C-N 3.35Å; D168-V170 PolarHBondContact O-N 2.83Å; D168-A171 PolarHBondContact O-N 3.06Å; D168-H172 PolarHBondContact O-N 3.27Å; D168-H172 PolarHBondContact O-ND1 3.46Å; D168-H221 IonicContact OD1-CE1 3.15Å; D168-H221 PolarHBondContact OD1-CE1 3.18Å; D168-H221 IonicContact OD1-NE2 2.79Å; D168-H221 PolarHBondContact OD1-NE2 3.02Å; D168-F275 HydrophobicContact CB-CD1 4.24Å; D168-F275 VanDerWaalsContact OD2-C 3.3Å; D168-A277 WeakPolarHBondContact OD2-CA 3.43Å; D168-A277 PolarHBondContact OD2-N 3.27Å
169A94.6Very high93.8Very high2 Ų233.4 Ų33.42%0.01720%0.199CC..Hα-helixtrans-67.4-37.6179.500000112.2I165 K166 H172 G173 K174 I178 A277I165-A169 HydrophobicContact CG2-CB 3.72Å; K166-A169 PolarHBondContact O-N 3.24Å; A169-H172 PolarHBondContact O-N 3.36Å; A169-G173 PolarHBondContact O-N 2.93Å; A169-K174 WeakPolarHBondContact O-CB 3.3Å; A169-K174 PolarHBondContact O-N 2.81Å; A169-I178 HydrophobicContact CB-CD1 3.85Å; A169-A277 HydrophobicContact CB-CB 3.81Å
170V94.6Very high94.5Very high24 Ų2436 Ų3615%0.14521%0.209CC..Hα-helixtrans-64.4-47.8176.6-177.70000110.8I165 K166 P167 D168 H172 G173 P226I165-V170 HydrophobicContact CG2-CG2 4Å; K166-V170 WeakPolarHBondContact O-CG2 3.27Å; K166-V170 PolarHBondContact O-N 3.09Å; P167-V170 PolarHBondContact O-N 2.95Å; D168-V170 VanDerWaalsContact C-N 3.35Å; D168-V170 PolarHBondContact O-N 2.83Å; V170-H172 PolarHBondContact O-N 3.27Å; V170-G173 PolarHBondContact O-N 3.07Å; V170-P226 HydrophobicContact CG1-CG 4.17Å
171A92.8Very high94.7Very high89 Ų8937.8 Ų37.874%0.73622%0.215SC*.Hα-helixtrans-61.4-28.4178.800000113.1P167 D168 G173P167-A171 WeakPolarHBondContact O-CB 3.35Å; P167-A171 PolarHBondContact O-N 3.5Å; D168-A171 PolarHBondContact O-N 3.06Å; A171-G173 VanDerWaalsContact C-N 3.29Å
172H93.3Very high94.7Very high134 Ų13437.8 Ų37.862%0.6222%0.215SC*.THydrogen-bonded Turntrans-85.85.3174.7-69.691000113.8D168 A169 V170 K174D168-H172 PolarHBondContact O-N 3.27Å; D168-H172 PolarHBondContact O-ND1 3.46Å; A169-H172 PolarHBondContact O-N 3.36Å; V170-H172 PolarHBondContact O-N 3.27Å; H172-K174 VanDerWaalsContact C-N 3.3Å; H172-K174 HydrophobicContact CB-CG 4.04Å; H172-K174 PolarHBondContact O-N 3.07Å
173G93.4Very high94.5Very high60 Ų6043.1 Ų43.162%0.61924%0.241SC*.THydrogen-bonded Turntrans66.430179.100000113.4A169 V170 A171A169-G173 PolarHBondContact O-N 2.93Å; V170-G173 PolarHBondContact O-N 3.07Å; A171-G173 VanDerWaalsContact C-N 3.29Å
174K94.8Very high94.2Very high76 Ų7649.8 Ų49.833%0.3327%0.272SS..  trans-96.2-1.6-176.1-62.8-52.7-162.8170.50114.5A169 H172 D176 E177 I178 Y269A169-K174 WeakPolarHBondContact O-CB 3.3Å; A169-K174 PolarHBondContact O-N 2.81Å; H172-K174 VanDerWaalsContact C-N 3.3Å; H172-K174 HydrophobicContact CB-CG 4.04Å; H172-K174 PolarHBondContact O-N 3.07Å; K174-D176 PolarHBondContact O-N 2.79Å; K174-E177 WeakPolarHBondContact CD-OE2 3.29Å; K174-E177 IonicContact NZ-OE2 3.65Å; K174-E177 PolarHBondContact NZ-OE2 3.1Å; K174-E177 PolarHBondContact O-N 2.94Å; K174-I178 HydrophobicContact CB-CD1 4.12Å; K174-I178 VanDerWaalsContact O-CG1 3.29Å; K174-I178 WeakPolarHBondContact O-CG1 3.45Å; K174-I178 PolarHBondContact O-N 3.41Å; K174-Y269 HydrophobicContact CB-CD1 4.01Å; K174-Y269 HydrophobicContact CB-CE1 4.35Å; K174-Y269 HydrophobicContact CD-CD1 4.22Å; K174-Y269 HydrophobicContact CD-CE1 4.17Å; K174-Y269 HydrophobicContact CG-CD1 3.95Å; K174-Y269 HydrophobicContact CG-CE1 4.36Å
175T93.9Very high93.8Very high14 Ų1451.5 Ų51.59%0.08629%0.285CS..Hα-helixtrans-52.6-57.2-177.8-55.50000112.7I165 E177 I178 I179 H228I165-T175 HydrophobicContact CD1-CG2 4.03Å; T175-E177 VanDerWaalsContact C-N 3.28Å; T175-E177 PolarHBondContact O-N 2.78Å; T175-I178 PolarHBondContact O-N 3.22Å; T175-I178 VanDerWaalsContact O-N 3.14Å; T175-I179 HydrophobicContact CG2-CD1 3.78Å; T175-I179 HydrophobicContact CG2-CG1 4.42Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 2.94Å; T175-H228 WeakPolarHBondContact CG2-CD2 3.42Å; T175-H228 WeakPolarHBondContact CG2-NE2 3.44Å
176D94.1Very high93.4Very high132 Ų13253.4 Ų53.471%0.70631%0.306SS*.Hα-helixtrans-62.9-37.3-174.6-63.3-25.6000112K174 I179 M180K174-D176 PolarHBondContact O-N 2.79Å; D176-I179 PolarHBondContact O-N 2.84Å; D176-M180 WeakPolarHBondContact O-CB 3.48Å; D176-M180 PolarHBondContact O-N 2.79Å
177E95.7Very high93.1Very high69 Ų6953.6 Ų53.632%0.32231%0.307SS..Hα-helixtrans-65.1-41.4177.4-156.9-171143.300111.3K174 T175 K181 Y269K174-E177 WeakPolarHBondContact CD-OE2 3.29Å; K174-E177 IonicContact NZ-OE2 3.65Å; K174-E177 PolarHBondContact NZ-OE2 3.1Å; K174-E177 PolarHBondContact O-N 2.94Å; T175-E177 VanDerWaalsContact C-N 3.28Å; T175-E177 PolarHBondContact O-N 2.78Å; E177-K181 PolarHBondContact O-N 3.26Å; E177-K181 VanDerWaalsContact O-N 3.09Å; E177-Y269 HydrophobicContact CG-CE1 4.43Å; E177-Y269 VanDerWaalsContact CG-OH 3.29Å; E177-Y269 WeakPolarHBondContact CG-OH 3.25Å; E177-Y269 WeakPolarHBondContact OE1-CE1 3.23Å; E177-Y269 PolarHBondContact OE1-OH 3.48Å
178I95.9Very high92.8Very high0 Ų056.4 Ų56.40%032%0.319CS..Hα-helixtrans-67.8-44.4176.2-68.1165.8000110.7I165 A169 K174 T175 M180 K181 I182 L265 Y269 V278I165-I178 HydrophobicContact CD1-CB 4.12Å; I165-I178 HydrophobicContact CD1-CG2 3.77Å; I165-I178 HydrophobicContact CG1-CG2 4.01Å; I165-I178 HydrophobicContact CG2-CD1 3.98Å; A169-I178 HydrophobicContact CB-CD1 3.85Å; K174-I178 HydrophobicContact CB-CD1 4.12Å; K174-I178 VanDerWaalsContact O-CG1 3.29Å; K174-I178 WeakPolarHBondContact O-CG1 3.45Å; K174-I178 PolarHBondContact O-N 3.41Å; T175-I178 PolarHBondContact O-N 3.22Å; T175-I178 VanDerWaalsContact O-N 3.14Å; I178-M180 VanDerWaalsContact C-N 3.32Å; I178-M180 PolarHBondContact O-N 2.65Å; I178-K181 PolarHBondContact O-N 2.6Å; I178-I182 HydrophobicContact CG2-CD1 3.92Å; I178-I182 HydrophobicContact CG2-CG1 4.46Å; I178-I182 VanDerWaalsContact O-CG1 3.29Å; I178-I182 WeakPolarHBondContact O-CG1 3.27Å; I178-I182 PolarHBondContact O-N 2.88Å; I178-L265 HydrophobicContact CG2-CD1 4.41Å; I178-Y269 HydrophobicContact CD1-CD2 3.96Å; I178-Y269 HydrophobicContact CD1-CE2 4.44Å; I178-Y269 HydrophobicContact CD1-CG 4.01Å; I178-Y269 HydrophobicContact CG1-CD1 4.44Å; I178-Y269 HydrophobicContact CG1-CD2 3.58Å; I178-Y269 HydrophobicContact CG1-CE1 4.44Å; I178-Y269 HydrophobicContact CG1-CE2 3.58Å; I178-Y269 HydrophobicContact CG1-CG 4.03Å; I178-V278 HydrophobicContact CD1-CG1 4.36Å; I178-V278 HydrophobicContact CG2-CG1 4.15Å
179I93.9Very high92.7Very high21 Ų2157.6 Ų57.611%0.10833%0.325CS..Hα-helixtrans-59.6-44.5176.9-72.7174.9000110.7I165 T175 D176 K181 I182 Q183 I189 N192 L230I165-I179 HydrophobicContact CD1-CG1 3.94Å; T175-I179 HydrophobicContact CG2-CD1 3.78Å; T175-I179 HydrophobicContact CG2-CG1 4.42Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 2.94Å; D176-I179 PolarHBondContact O-N 2.84Å; I179-K181 PolarHBondContact O-N 3.14Å; I179-I182 WeakPolarHBondContact O-CB 3.44Å; I179-I182 PolarHBondContact O-N 3.36Å; I179-Q183 WeakPolarHBondContact O-CG 3.26Å; I179-Q183 PolarHBondContact O-N 2.86Å; I179-I189 HydrophobicContact CG2-CD1 3.77Å; I179-N192 WeakPolarHBondContact CD1-ND2 3.37Å; I179-L230 HydrophobicContact CG1-CD1 4.36Å
180M93.1Very high92.4Very high92 Ų9261 Ų6145%0.45334%0.343SS..Hα-helixtrans-59.6-46.5176.5-174179.972.400111.1D176 I178 I182 Q183 E184D176-M180 WeakPolarHBondContact O-CB 3.48Å; D176-M180 PolarHBondContact O-N 2.79Å; I178-M180 VanDerWaalsContact C-N 3.32Å; I178-M180 PolarHBondContact O-N 2.65Å; M180-I182 VanDerWaalsContact C-N 3.31Å; M180-I182 PolarHBondContact O-N 2.96Å; M180-Q183 PolarHBondContact O-N 3.28Å; M180-E184 HydrophobicContact CG-CG 4.46Å; M180-E184 WeakPolarHBondContact O-CB 3.08Å; M180-E184 WeakPolarHBondContact O-CG 3.39Å; M180-E184 PolarHBondContact O-N 2.95Å
181K93.9Very high92.1Very high51 Ų5162 Ų6222%0.22235%0.349CS..Hα-helixtrans-62-35.5175.9-78178.6176.7-85.50113.4E177 I178 I179 A185 L265 Q268 Y269E177-K181 PolarHBondContact O-N 3.26Å; E177-K181 VanDerWaalsContact O-N 3.09Å; I178-K181 PolarHBondContact O-N 2.6Å; I179-K181 PolarHBondContact O-N 3.14Å; K181-A185 WeakPolarHBondContact O-CB 3.37Å; K181-A185 PolarHBondContact O-N 2.99Å; K181-L265 HydrophobicContact CB-CD2 4.01Å; K181-L265 HydrophobicContact CD-CD2 3.74Å; K181-Q268 VanDerWaalsContact NZ-CD 3.33Å; K181-Y269 HydrophobicContact CD-CE2 3.91Å; K181-Y269 VanDerWaalsContact CD-OH 3.29Å; K181-Y269 WeakPolarHBondContact CD-OH 3.19Å; K181-Y269 WeakPolarHBondContact CE-OH 3.27Å
182I93.3Very high92.1Very high0 Ų061.6 Ų61.60%033%0.334CS..Hα-helixtrans-62-47.3174.5-71.5166.6000109.9I178 I179 M180 A185 F187 I189 L230 L232 W245I178-I182 HydrophobicContact CG2-CD1 3.92Å; I178-I182 HydrophobicContact CG2-CG1 4.46Å; I178-I182 VanDerWaalsContact O-CG1 3.29Å; I178-I182 WeakPolarHBondContact O-CG1 3.27Å; I178-I182 PolarHBondContact O-N 2.88Å; I179-I182 WeakPolarHBondContact O-CB 3.44Å; I179-I182 PolarHBondContact O-N 3.36Å; M180-I182 VanDerWaalsContact C-N 3.31Å; M180-I182 PolarHBondContact O-N 2.96Å; I182-A185 PolarHBondContact O-N 3.12Å; I182-F187 HydrophobicContact CG2-CB 3.67Å; I182-F187 HydrophobicContact CG2-CD2 4.39Å; I182-F187 HydrophobicContact CG2-CG 4.27Å; I182-F187 WeakPolarHBondContact O-CD2 3.33Å; I182-F187 PolarHBondContact O-N 2.9Å; I182-I189 HydrophobicContact CG2-CD1 4.06Å; I182-I189 HydrophobicContact CG2-CG1 4.04Å; I182-L230 HydrophobicContact CD1-CD1 3.68Å; I182-L232 HydrophobicContact CG2-CD1 4.2Å; I182-L232 HydrophobicContact CG2-CD2 3.8Å; I182-W245 HydrophobicContact CD1-CH2 3.89Å; I182-W245 HydrophobicContact CD1-CZ3 4.04Å; I182-W245 HydrophobicContact CG1-CH2 4.03Å; I182-W245 HydrophobicContact CG1-CZ3 3.69Å
183Q91.2Very high92Very high113 Ų11358.7 Ų58.753%0.52832%0.321SS..Hα-helixtrans-67-42.3179.2-68.1173.9-27.800112.2I179 M180 A185 G186 I189I179-Q183 WeakPolarHBondContact O-CG 3.26Å; I179-Q183 PolarHBondContact O-N 2.86Å; M180-Q183 PolarHBondContact O-N 3.28Å; Q183-A185 PolarHBondContact O-N 2.7Å; Q183-G186 PolarHBondContact O-N 2.89Å; Q183-I189 HydrophobicContact CG-CD1 4.07Å
184E89.6Confident92Very high141 Ų14161.7 Ų61.766%0.65932%0.319SS*.Hα-helixtrans-61.4-31.2175.3-74.2178.3166.100112.5M180 G186M180-E184 HydrophobicContact CG-CG 4.46Å; M180-E184 WeakPolarHBondContact O-CB 3.08Å; M180-E184 WeakPolarHBondContact O-CG 3.39Å; M180-E184 PolarHBondContact O-N 2.95Å; E184-G186 PolarHBondContact O-N 3.38Å
185A89.3Confident91.8Very high36 Ų3660.3 Ų60.330%0.29831%0.312SS..THydrogen-bonded Turntrans-75.40173.900000113.7K181 I182 Q183 F187 I248K181-A185 WeakPolarHBondContact O-CB 3.37Å; K181-A185 PolarHBondContact O-N 2.99Å; I182-A185 PolarHBondContact O-N 3.12Å; Q183-A185 PolarHBondContact O-N 2.7Å; A185-F187 HydrophobicContact CB-CD2 3.87Å; A185-F187 HydrophobicContact CB-CE2 3.93Å; A185-I248 HydrophobicContact CB-CD1 3.92Å; A185-I248 HydrophobicContact CB-CG2 4.18Å
186G88.3Confident91.8Very high42 Ų4263.4 Ų63.443%0.43333%0.331SS..THydrogen-bonded Turntrans86.616.9175.200000114.7Q183 E184Q183-G186 PolarHBondContact O-N 2.89Å; E184-G186 PolarHBondContact O-N 3.38Å
187F90.7Very high91.7Very high9 Ų957.5 Ų57.54%0.03930%0.299CS..  trans-85.1139.6171.4-65.3-89.8000110.8I182 A185 L232 V241 W245 I248I182-F187 HydrophobicContact CG2-CB 3.67Å; I182-F187 HydrophobicContact CG2-CD2 4.39Å; I182-F187 HydrophobicContact CG2-CG 4.27Å; I182-F187 WeakPolarHBondContact O-CD2 3.33Å; I182-F187 PolarHBondContact O-N 2.9Å; A185-F187 HydrophobicContact CB-CD2 3.87Å; A185-F187 HydrophobicContact CB-CE2 3.93Å; F187-L232 HydrophobicContact CD1-CB 4.18Å; F187-L232 HydrophobicContact CD1-CD1 4.3Å; F187-L232 HydrophobicContact CG-CD1 4.5Å; F187-V241 HydrophobicContact CD1-CG2 4.18Å; F187-V241 HydrophobicContact CE1-CG2 4.02Å; F187-W245 HydrophobicContact CE1-CB 4.09Å; F187-W245 HydrophobicContact CZ-CB 4.15Å; F187-I248 HydrophobicContact CD2-CD1 3.97Å; F187-I248 HydrophobicContact CE2-CD1 3.5Å; F187-I248 HydrophobicContact CE2-CG1 4.04Å; F187-I248 HydrophobicContact CE2-CG2 4.33Å; F187-I248 HydrophobicContact CZ-CD1 4.35Å
188E89.5Confident91.5Very high66 Ų6657.8 Ų57.831%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-93.8131.2166.4178.5175.4-161.900108.9L190 L232 T233E188-L190 HydrophobicContact CG-CD2 4.28Å; E188-L232 WeakPolarHBondContact O-CA 3.4Å; E188-T233 HydrophobicContact CB-CG2 3.73Å; E188-T233 HydrophobicContact CG-CG2 4.07Å; E188-T233 PolarHBondContact N-O 3.31Å; E188-T233 PolarHBondContact O-N 3.32Å
189I91.4Very high91.3Very high39 Ų3962.7 Ų62.720%0.233%0.328CS..EExtended strand (participates in β ladder)trans-96.4107.2178.3-57.4174.6000107.5I179 I182 Q183 T191 N192 L230 L232I179-I189 HydrophobicContact CG2-CD1 3.77Å; I182-I189 HydrophobicContact CG2-CD1 4.06Å; I182-I189 HydrophobicContact CG2-CG1 4.04Å; Q183-I189 HydrophobicContact CG-CD1 4.07Å; I189-T191 VanDerWaalsContact CG2-O 3.27Å; I189-T191 WeakPolarHBondContact CG2-O 3.46Å; I189-N192 HydrophobicContact CG2-CB 4.31Å; I189-L230 HydrophobicContact CG2-CB 4.47Å; I189-L230 HydrophobicContact CG2-CD2 4.22Å; I189-L232 HydrophobicContact CB-CD2 4.46Å; I189-L232 HydrophobicContact CG1-CD2 3.76Å
190L87.9Confident91.2Very high73 Ų7364.9 Ų64.938%0.38235%0.35SS..EExtended strand (participates in β ladder)trans-78.6-29.8-179.7-64.5-179.5000112.5E188 I231 T233E188-L190 HydrophobicContact CG-CD2 4.28Å; L190-I231 HydrophobicContact CB-CB 4.26Å; L190-I231 HydrophobicContact CB-CG2 4.22Å; L190-I231 HydrophobicContact CD1-CG2 4.17Å; L190-I231 PolarHBondContact N-O 2.94Å; L190-T233 HydrophobicContact CD1-CG2 3.85Å; L190-T233 HydrophobicContact CD2-CG2 3.75Å; L190-T233 HydrophobicContact CG-CG2 3.69Å
191T88.9Confident91Very high44 Ų4462.7 Ų62.727%0.2734%0.338SS..EExtended strand (participates in β ladder)trans-148.6141.2-178.7-58.90000108.7I189 L230 I231 F295I189-T191 VanDerWaalsContact CG2-O 3.27Å; I189-T191 WeakPolarHBondContact CG2-O 3.46Å; T191-L230 VanDerWaalsContact O-CA 3.26Å; T191-L230 WeakPolarHBondContact O-CA 3.45Å; T191-I231 HydrophobicContact CG2-CD1 4.48Å; T191-I231 PolarHBondContact O-N 3.16Å; T191-I231 VanDerWaalsContact O-N 3.1Å; T191-F295 HydrophobicContact CG2-CE1 3.88Å; T191-F295 HydrophobicContact CG2-CZ 4.37Å
192N91.8Very high90.9Very high81 Ų8160.3 Ų60.343%0.43333%0.328SS..EExtended strand (participates in β ladder)trans-137106.6171.2177.85.4000108.4I179 I189 H228 L229 L230I179-N192 WeakPolarHBondContact CD1-ND2 3.37Å; I189-N192 HydrophobicContact CG2-CB 4.31Å; N192-H228 PolarHBondContact OD1-ND1 3.4Å; N192-H228 VanDerWaalsContact OD1-ND1 3.11Å; N192-L229 WeakPolarHBondContact CA-O 3.23Å; N192-L230 HydrophobicContact CB-CD2 3.55Å; N192-L230 VanDerWaalsContact OD1-CD2 3.26Å; N192-L230 WeakPolarHBondContact OD1-CD2 3.3Å
193E91Very high90.8Very high74 Ų7464.1 Ų64.135%0.34634%0.342SS..EExtended strand (participates in β ladder)trans-116.2127179.8-172.5-179.7145.700109.4R195 H228 L229 F295E193-R195 WeakPolarHBondContact OE1-CD 3.49Å; E193-R195 IonicContact OE1-NE 3.28Å; E193-H228 CarbonylContact O-C 3.56Å; E193-H228 WeakPolarHBondContact O-CA 3.45Å; E193-L229 PolarHBondContact N-O 2.97Å; E193-L229 WeakPolarHBondContact O-CD1 3.5Å; E193-L229 PolarHBondContact O-N 3.46Å; E193-F295 HydrophobicContact CB-CE1 4.35Å
194E94.3Very high90.7Very high123 Ų12363.6 Ų63.658%0.57534%0.342SS*.EExtended strand (participates in β ladder)trans-90.1119.6168.7-171-176.3121.300109.2P226 S227 H228E194-P226 HydrophobicContact CG-CB 3.9Å; E194-S227 WeakPolarHBondContact CA-O 3.49Å; E194-H228 IonicContact OE2-CE1 2.79Å; E194-H228 PolarHBondContact OE2-CE1 3.12Å; E194-H228 VanDerWaalsContact OE2-CE1 3.27Å; E194-H228 IonicContact OE2-NE2 3.58Å; E194-H228 PolarHBondContact OE2-NE2 3.26Å
195R91.2Very high90.7Very high46 Ų4657 Ų5717%0.17431%0.312CS..EExtended strand (participates in β ladder)trans-145.8140.3-177.5-170.1170.372.397.2-19.9112E193 M197 E201 S227 L229 L294E193-R195 WeakPolarHBondContact OE1-CD 3.49Å; E193-R195 IonicContact OE1-NE 3.28Å; R195-M197 HydrophobicContact CB-CE 3.95Å; R195-M197 HydrophobicContact CG-CE 4.2Å; R195-M197 PolarHBondContact NH2-SD 3.38Å; R195-E201 IonicContact CZ-OE1 3.53Å; R195-E201 VanDerWaalsContact CZ-OE1 3.25Å; R195-E201 IonicContact CZ-OE2 3.01Å; R195-E201 IonicContact NH1-OE1 3.42Å; R195-E201 PolarHBondContact NH1-OE1 2.93Å; R195-E201 IonicContact NH1-OE2 3.11Å; R195-E201 PolarHBondContact NH1-OE2 3.47Å; R195-E201 IonicContact NH2-OE1 2.75Å; R195-E201 PolarHBondContact NH2-OE1 2.89Å; R195-S227 PolarHBondContact N-O 3.48Å; R195-S227 PolarHBondContact O-N 3Å; R195-L229 HydrophobicContact CB-CD1 3.69Å; R195-L294 VanDerWaalsContact NH2-CD2 3.29Å
196T92.5Very high90.7Very high80 Ų8055.4 Ų55.449%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-86.8124.8166.4-58.50000109
197M92.2Very high90.8Very high8 Ų859.8 Ų59.84%0.03931%0.307CS..PPolyproline II helixtrans-80.7145.1-176.3-62.6-64.2144.600112R195 M202 L229 L294R195-M197 HydrophobicContact CB-CE 3.95Å; R195-M197 HydrophobicContact CG-CE 4.2Å; R195-M197 PolarHBondContact NH2-SD 3.38Å; M197-M202 HydrophobicContact CB-CE 3.87Å; M197-M202 HydrophobicContact CB-CG 3.61Å; M197-M202 HydrophobicContact CB-SD 3.86Å; M197-M202 HydrophobicContact CG-CE 3.64Å; M197-M202 HydrophobicContact CG-CG 4.23Å; M197-M202 HydrophobicContact CG-SD 3.79Å; M197-M202 HydrophobicContact SD-CE 3.56Å; M197-M202 VanDerWaalsContact SD-CE 3.56Å; M197-M202 HydrophobicContact SD-SD 4.49Å; M197-L229 HydrophobicContact CE-CD1 3.1Å; M197-L229 HydrophobicContact CE-CD2 3.45Å; M197-L229 VanDerWaalsContact CE-CD2 3.45Å; M197-L229 HydrophobicContact CE-CG 3.61Å; M197-L294 HydrophobicContact SD-CD2 4.01Å
198T92.4Very high90.6Very high74 Ų7463.4 Ų63.445%0.45432%0.324SS..PPolyproline II helixtrans-84.7154.717068.70000111.5A200 E201 M202T198-A200 VanDerWaalsContact C-N 3.28Å; T198-A200 PolarHBondContact O-N 3.29Å; T198-E201 WeakPolarHBondContact CB-OE2 3.32Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.23Å; T198-E201 PolarHBondContact N-OE2 2.88Å; T198-E201 PolarHBondContact O-N 3.48Å; T198-E201 VanDerWaalsContact OG1-CD 3.27Å; T198-E201 WeakPolarHBondContact OG1-CG 3.27Å; T198-E201 PolarHBondContact OG1-N 2.9Å; T198-E201 PolarHBondContact OG1-OE2 3.03Å; T198-M202 PolarHBondContact O-N 3.42Å
199E91.9Very high90.3Very high104 Ų10462.2 Ų62.249%0.48632%0.317SS..Hα-helixtrans-60.2-39.4177.6-165.8-175.8154.600112M202 R203 V219E199-M202 PolarHBondContact O-N 3.28Å; E199-R203 HydrophobicContact CG-CG 4.43Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 VanDerWaalsContact O-CG 3.26Å; E199-R203 WeakPolarHBondContact O-CG 3.28Å; E199-R203 PolarHBondContact O-N 2.9Å; E199-R203 IonicContact OE1-CZ 3.28Å; E199-R203 IonicContact OE1-NE 2.68Å; E199-R203 PolarHBondContact OE1-NE 3.43Å; E199-R203 IonicContact OE1-NH2 3.06Å; E199-R203 PolarHBondContact OE1-NH2 3.5Å; E199-V219 HydrophobicContact CG-CG1 3.65Å
200A90.1Very high90Very high67 Ų6763.1 Ų63.155%0.55433%0.33SS*.Hα-helixtrans-61.2-45.417800000111.8T198 R203 L204T198-A200 VanDerWaalsContact C-N 3.28Å; T198-A200 PolarHBondContact O-N 3.29Å; A200-R203 PolarHBondContact O-N 2.9Å; A200-L204 WeakPolarHBondContact O-CG 3.36Å; A200-L204 PolarHBondContact O-N 3.26Å; A200-L204 VanDerWaalsContact O-N 3.14Å
201E88.8Confident89.9Confident46 Ų4663.7 Ų63.722%0.21535%0.353CS..Hα-helixtrans-62.8-45.9176.5-70.7167.9118.100111.7R195 T198 R203 L204 F205R195-E201 IonicContact CZ-OE1 3.53Å; R195-E201 VanDerWaalsContact CZ-OE1 3.25Å; R195-E201 IonicContact CZ-OE2 3.01Å; R195-E201 IonicContact NH1-OE1 3.42Å; R195-E201 PolarHBondContact NH1-OE1 2.93Å; R195-E201 IonicContact NH1-OE2 3.11Å; R195-E201 PolarHBondContact NH1-OE2 3.47Å; R195-E201 IonicContact NH2-OE1 2.75Å; R195-E201 PolarHBondContact NH2-OE1 2.89Å; T198-E201 WeakPolarHBondContact CB-OE2 3.32Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.23Å; T198-E201 PolarHBondContact N-OE2 2.88Å; T198-E201 PolarHBondContact O-N 3.48Å; T198-E201 VanDerWaalsContact OG1-CD 3.27Å; T198-E201 WeakPolarHBondContact OG1-CG 3.27Å; T198-E201 PolarHBondContact OG1-N 2.9Å; T198-E201 PolarHBondContact OG1-OE2 3.03Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.17Å; E201-L204 PolarHBondContact O-N 2.71Å; E201-F205 VanDerWaalsContact O-CB 3.3Å; E201-F205 WeakPolarHBondContact O-CB 3.37Å; E201-F205 PolarHBondContact O-N 2.83Å
202M91.8Very high89.9Confident0 Ų065.6 Ų65.60%036%0.359CS..Hα-helixtrans-70-31.1-178.1-67.6-60.395.400113.1M197 T198 E199 F205 Y206 V219 M222 L294M197-M202 HydrophobicContact CB-CE 3.87Å; M197-M202 HydrophobicContact CB-CG 3.61Å; M197-M202 HydrophobicContact CB-SD 3.86Å; M197-M202 HydrophobicContact CG-CE 3.64Å; M197-M202 HydrophobicContact CG-CG 4.23Å; M197-M202 HydrophobicContact CG-SD 3.79Å; M197-M202 HydrophobicContact SD-CE 3.56Å; M197-M202 VanDerWaalsContact SD-CE 3.56Å; M197-M202 HydrophobicContact SD-SD 4.49Å; T198-M202 PolarHBondContact O-N 3.42Å; E199-M202 PolarHBondContact O-N 3.28Å; M202-F205 HydrophobicContact CE-CB 4.1Å; M202-F205 HydrophobicContact CE-CG 4.34Å; M202-F205 PolarHBondContact O-N 3.01Å; M202-Y206 WeakPolarHBondContact O-CD2 3.42Å; M202-Y206 PolarHBondContact O-N 3.11Å; M202-Y206 HydrophobicContact SD-CE2 4.25Å; M202-V219 HydrophobicContact CB-CG1 4.16Å; M202-M222 HydrophobicContact CB-CB 4.49Å; M202-M222 HydrophobicContact CG-CB 3.75Å; M202-M222 HydrophobicContact SD-CB 3.7Å; M202-M222 HydrophobicContact SD-CE 4.05Å; M202-M222 HydrophobicContact SD-CG 4.17Å; M202-L294 HydrophobicContact CE-CD2 4.01Å
203R91.3Very high89.6Confident80 Ų8071.6 Ų71.630%0.30239%0.385SS..Hα-helixtrans-66.6-40.6172.1-75.4178.7178.7-72.7-4.2111.9E199 A200 E201 Q207 F215 E216 V219E199-R203 HydrophobicContact CG-CG 4.43Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 VanDerWaalsContact O-CG 3.26Å; E199-R203 WeakPolarHBondContact O-CG 3.28Å; E199-R203 PolarHBondContact O-N 2.9Å; E199-R203 IonicContact OE1-CZ 3.28Å; E199-R203 IonicContact OE1-NE 2.68Å; E199-R203 PolarHBondContact OE1-NE 3.43Å; E199-R203 IonicContact OE1-NH2 3.06Å; E199-R203 PolarHBondContact OE1-NH2 3.5Å; A200-R203 PolarHBondContact O-N 2.9Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.17Å; R203-Q207 WeakPolarHBondContact O-CA 3.43Å; R203-Q207 PolarHBondContact O-N 2.72Å; R203-Q207 VanDerWaalsContact O-N 3.09Å; R203-F215 HydrophobicContact CB-CZ 4.43Å; R203-F215 HydrophobicContact CG-CE1 4.49Å; R203-F215 HydrophobicContact CG-CZ 4.24Å; R203-E216 IonicContact CZ-OE1 3.85Å; R203-E216 IonicContact CZ-OE2 2.94Å; R203-E216 IonicContact NH1-OE1 3.91Å; R203-E216 PolarHBondContact NH1-OE1 3.47Å; R203-E216 IonicContact NH1-OE2 2.74Å; R203-E216 IonicContact NH2-OE1 2.93Å; R203-E216 PolarHBondContact NH2-OE1 2.86Å; R203-E216 IonicContact NH2-OE2 3.25Å; R203-E216 PolarHBondContact NH2-OE2 2.85Å; R203-V219 HydrophobicContact CG-CG1 4.03Å; R203-V219 HydrophobicContact CG-CG2 4.15Å
204L89.3Confident89.4Confident102 Ų10269.9 Ų69.953%0.53438%0.383SS..Hα-helixtrans-66.9-45.4173.5-71.4172.7000111.2A200 E201 Y206 Q207 L293A200-L204 WeakPolarHBondContact O-CG 3.36Å; A200-L204 PolarHBondContact O-N 3.26Å; A200-L204 VanDerWaalsContact O-N 3.14Å; E201-L204 PolarHBondContact O-N 2.71Å; L204-Y206 PolarHBondContact O-N 3.42Å; L204-Q207 VanDerWaalsContact O-CB 3.3Å; L204-Q207 WeakPolarHBondContact O-CB 3.43Å; L204-Q207 PolarHBondContact O-N 2.91Å; L204-L293 HydrophobicContact CB-CD2 4.19Å
205F90.6Very high89.1Confident3 Ų364.6 Ų64.61%0.01336%0.359CS..Hα-helixtrans-58.5-47.5179.5-172.7-84.8000112.2L162 I164 E201 M202 H279 E290 L293 L294L162-F205 HydrophobicContact CD2-CE2 3.58Å; L162-F205 HydrophobicContact CD2-CZ 3.81Å; I164-F205 HydrophobicContact CD1-CE1 4.46Å; I164-F205 HydrophobicContact CD1-CE2 4.36Å; I164-F205 HydrophobicContact CD1-CZ 3.95Å; E201-F205 VanDerWaalsContact O-CB 3.3Å; E201-F205 WeakPolarHBondContact O-CB 3.37Å; E201-F205 PolarHBondContact O-N 2.83Å; M202-F205 HydrophobicContact CE-CB 4.1Å; M202-F205 HydrophobicContact CE-CG 4.34Å; M202-F205 PolarHBondContact O-N 3.01Å; F205-H279 AromaticContact CE1-CE1 3.68Å; F205-H279 AromaticContact CE1-NE2 3.5Å; F205-H279 AromaticContact CZ-CD2 3.8Å; F205-H279 AromaticContact CZ-NE2 3.39Å; F205-H279 WeakPolarHBondContact CZ-NE2 3.48Å; F205-E290 HydrophobicContact CD2-CB 4.5Å; F205-E290 HydrophobicContact CD2-CG 4.17Å; F205-E290 HydrophobicContact CE2-CB 3.68Å; F205-E290 HydrophobicContact CE2-CG 3.45Å; F205-E290 VanDerWaalsContact CE2-CG 3.45Å; F205-E290 HydrophobicContact CZ-CB 4.24Å; F205-E290 HydrophobicContact CZ-CG 3.68Å; F205-L293 HydrophobicContact CB-CD2 3.91Å; F205-L293 HydrophobicContact CD2-CD2 4.14Å; F205-L294 HydrophobicContact CD2-CD1 3.67Å; F205-L294 HydrophobicContact CD2-CG 4.14Å; F205-L294 HydrophobicContact CE2-CD1 3.44Å; F205-L294 VanDerWaalsContact CE2-CD1 3.44Å; F205-L294 HydrophobicContact CE2-CG 4.31Å; F205-L294 HydrophobicContact CZ-CD1 4.46Å
206Y89.6Confident89.2Confident2 Ų267.3 Ų67.31%0.00837%0.373CS..THydrogen-bonded Turntrans-9519.6179.9-68.3-69.3000113.8M202 L204 H208 R209 F215 L218 M222 H279M202-Y206 WeakPolarHBondContact O-CD2 3.42Å; M202-Y206 PolarHBondContact O-N 3.11Å; M202-Y206 HydrophobicContact SD-CE2 4.25Å; L204-Y206 PolarHBondContact O-N 3.42Å; Y206-H208 PolarHBondContact O-N 3.16Å; Y206-H208 VanDerWaalsContact O-N 3.07Å; Y206-R209 WeakPolarHBondContact O-CA 3.45Å; Y206-R209 WeakPolarHBondContact O-CB 3.3Å; Y206-R209 PolarHBondContact O-N 2.99Å; Y206-F215 VanDerWaalsContact O-CE2 3.26Å; Y206-F215 WeakPolarHBondContact O-CE2 3.48Å; Y206-L218 HydrophobicContact CD1-CD2 3.64Å; Y206-L218 HydrophobicContact CD2-CD2 3.98Å; Y206-L218 HydrophobicContact CD2-CG 4.23Å; Y206-L218 HydrophobicContact CE1-CD2 3.83Å; Y206-L218 HydrophobicContact CE2-CD1 4.45Å; Y206-L218 HydrophobicContact CE2-CD2 4.2Å; Y206-L218 HydrophobicContact CE2-CG 4.23Å; Y206-L218 HydrophobicContact CG-CD2 3.69Å; Y206-L218 HydrophobicContact CG-CG 4.43Å; Y206-M222 HydrophobicContact CE2-CG 3.92Å; Y206-H279 AromaticContact CE1-CE1 3.87Å; Y206-H279 AromaticContact CE1-ND1 3.92Å; Y206-H279 PolarHBondContact OH-ND1 2.75Å
207Q90.3Very high89.1Confident134 Ų13468.2 Ų68.263%0.62637%0.37SS*.G310 helixtrans-54.2-35.7-174.7-175.4-179.824.500113R203 L204 R209 A210R203-Q207 WeakPolarHBondContact O-CA 3.43Å; R203-Q207 PolarHBondContact O-N 2.72Å; R203-Q207 VanDerWaalsContact O-N 3.09Å; L204-Q207 VanDerWaalsContact O-CB 3.3Å; L204-Q207 WeakPolarHBondContact O-CB 3.43Å; L204-Q207 PolarHBondContact O-N 2.91Å; Q207-R209 PolarHBondContact O-N 3.03Å; Q207-A210 VanDerWaalsContact O-CB 3.27Å; Q207-A210 WeakPolarHBondContact O-CB 3.26Å; Q207-A210 PolarHBondContact O-N 2.9Å; Q207-A210 VanDerWaalsContact O-N 3.07Å
208H85.9Confident89.1Confident86 Ų8667.9 Ų67.940%0.39837%0.369SS..G310 helixtrans-61.5-14.9176.768.6-88.1000114Y206 R282Y206-H208 PolarHBondContact O-N 3.16Å; Y206-H208 VanDerWaalsContact O-N 3.07Å; H208-R282 PolarHBondContact CD2-NH1 3.4Å
209R84.3Confident89.1Confident41 Ų4164.5 Ų64.516%0.15535%0.348CS..G310 helixtrans-107.97.3179.2-53.5-174.363.4-166.2-7.6113.2Y206 Q207 G211 E212 F215 L218Y206-R209 WeakPolarHBondContact O-CA 3.45Å; Y206-R209 WeakPolarHBondContact O-CB 3.3Å; Y206-R209 PolarHBondContact O-N 2.99Å; Q207-R209 PolarHBondContact O-N 3.03Å; R209-G211 PolarHBondContact O-N 2.89Å; R209-E212 HydrophobicContact CB-CG 4.31Å; R209-E212 WeakPolarHBondContact CB-OE1 3.43Å; R209-E212 VanDerWaalsContact CG-OE1 3.32Å; R209-E212 WeakPolarHBondContact CG-OE1 2.99Å; R209-E212 IonicContact CZ-OE1 2.91Å; R209-E212 IonicContact CZ-OE2 3.37Å; R209-E212 VanDerWaalsContact CZ-OE2 3.28Å; R209-E212 VanDerWaalsContact NE-CD 3.32Å; R209-E212 IonicContact NE-OE1 3.96Å; R209-E212 PolarHBondContact NE-OE1 3.06Å; R209-E212 IonicContact NE-OE2 3.27Å; R209-E212 PolarHBondContact NE-OE2 3.06Å; R209-E212 IonicContact NH2-OE1 2.79Å; R209-E212 IonicContact NH2-OE2 3.21Å; R209-E212 PolarHBondContact NH2-OE2 2.68Å; R209-E212 WeakPolarHBondContact O-CB 3.41Å; R209-E212 PolarHBondContact O-N 2.81Å; R209-F215 HydrophobicContact CB-CD2 4.15Å; R209-F215 WeakPolarHBondContact O-CB 3.17Å; R209-L218 VanDerWaalsContact NH1-CD2 3.27Å
210A85Confident89.2Confident57 Ų5766.2 Ų66.247%0.47136%0.356SS..THydrogen-bonded Turntrans-58.8-21.4-174.400000114.3Q207 F215Q207-A210 VanDerWaalsContact O-CB 3.27Å; Q207-A210 WeakPolarHBondContact O-CB 3.26Å; Q207-A210 PolarHBondContact O-N 2.9Å; Q207-A210 VanDerWaalsContact O-N 3.07Å; A210-F215 HydrophobicContact CB-CE1 4.25Å; A210-F215 HydrophobicContact CB-CE2 4.44Å; A210-F215 HydrophobicContact CB-CZ 4.2Å
211G84.6Confident89.4Confident85 Ų8563.4 Ų63.488%0.87633%0.331SS*.THydrogen-bonded Turntrans-86.2-3.8175.900000115.4R209R209-G211 PolarHBondContact O-N 2.89Å
212E88.4Confident89.6Confident84 Ų8461.2 Ų61.239%0.39332%0.321SS..SBendtrans-84.2139.9-179.1-63.7178.7-149.600111.8R209 A214 F215R209-E212 HydrophobicContact CB-CG 4.31Å; R209-E212 WeakPolarHBondContact CB-OE1 3.43Å; R209-E212 VanDerWaalsContact CG-OE1 3.32Å; R209-E212 WeakPolarHBondContact CG-OE1 2.99Å; R209-E212 IonicContact CZ-OE1 2.91Å; R209-E212 IonicContact CZ-OE2 3.37Å; R209-E212 VanDerWaalsContact CZ-OE2 3.28Å; R209-E212 VanDerWaalsContact NE-CD 3.32Å; R209-E212 IonicContact NE-OE1 3.96Å; R209-E212 PolarHBondContact NE-OE1 3.06Å; R209-E212 IonicContact NE-OE2 3.27Å; R209-E212 PolarHBondContact NE-OE2 3.06Å; R209-E212 IonicContact NH2-OE1 2.79Å; R209-E212 IonicContact NH2-OE2 3.21Å; R209-E212 PolarHBondContact NH2-OE2 2.68Å; R209-E212 WeakPolarHBondContact O-CB 3.41Å; R209-E212 PolarHBondContact O-N 2.81Å; E212-A214 PolarHBondContact O-N 2.94Å; E212-A214 VanDerWaalsContact O-N 3.1Å; E212-F215 WeakPolarHBondContact O-CB 3.45Å; E212-F215 PolarHBondContact O-N 3.02Å
213E86.4Confident89.7Confident207 Ų20762.9 Ų62.997%0.96733%0.332SS*.THydrogen-bonded Turntrans-57.7-28.7176.9-64.6-177.417200113F215E213-F215 VanDerWaalsContact C-N 3.34Å
214A85.8Confident89.8Confident39 Ų3962.7 Ų62.732%0.32234%0.343SS..THydrogen-bonded Turntrans-84.8-2.7179.800000114E212 E216 K217 L218E212-A214 PolarHBondContact O-N 2.94Å; E212-A214 VanDerWaalsContact O-N 3.1Å; A214-E216 PolarHBondContact O-N 3.11Å; A214-K217 PolarHBondContact O-N 3Å; A214-L218 WeakPolarHBondContact O-CB 3.26Å; A214-L218 PolarHBondContact O-N 2.93Å
215F89.6Confident90Very high12 Ų1258.5 Ų58.55%0.05332%0.324CS..Hα-helixtrans-58.9-50.9-173.6177.5-111.4000112.7R203 Y206 R209 A210 E212 E213 K217 L218 V219R203-F215 HydrophobicContact CB-CZ 4.43Å; R203-F215 HydrophobicContact CG-CE1 4.49Å; R203-F215 HydrophobicContact CG-CZ 4.24Å; Y206-F215 VanDerWaalsContact O-CE2 3.26Å; Y206-F215 WeakPolarHBondContact O-CE2 3.48Å; R209-F215 HydrophobicContact CB-CD2 4.15Å; R209-F215 WeakPolarHBondContact O-CB 3.17Å; A210-F215 HydrophobicContact CB-CE1 4.25Å; A210-F215 HydrophobicContact CB-CE2 4.44Å; A210-F215 HydrophobicContact CB-CZ 4.2Å; E212-F215 WeakPolarHBondContact O-CB 3.45Å; E212-F215 PolarHBondContact O-N 3.02Å; E213-F215 VanDerWaalsContact C-N 3.34Å; F215-K217 VanDerWaalsContact C-N 3.32Å; F215-K217 PolarHBondContact O-N 3.35Å; F215-L218 WeakPolarHBondContact O-CB 3.46Å; F215-L218 PolarHBondContact O-N 3.25Å; F215-L218 VanDerWaalsContact O-N 3.13Å; F215-V219 HydrophobicContact CD2-CG2 4.29Å; F215-V219 HydrophobicContact CE1-CG2 4.23Å; F215-V219 HydrophobicContact CE2-CG2 3.89Å; F215-V219 HydrophobicContact CZ-CG2 3.87Å; F215-V219 WeakPolarHBondContact O-CG2 3.32Å; F215-V219 PolarHBondContact O-N 2.85Å
216E92.4Very high90.2Very high102 Ų10260.6 Ų60.648%0.47734%0.338SS..Hα-helixtrans-62.5-40.2179.7-66.3-60.3142.100111.7R203 A214 L218 V219 H220R203-E216 IonicContact CZ-OE1 3.85Å; R203-E216 IonicContact CZ-OE2 2.94Å; R203-E216 IonicContact NH1-OE1 3.91Å; R203-E216 PolarHBondContact NH1-OE1 3.47Å; R203-E216 IonicContact NH1-OE2 2.74Å; R203-E216 IonicContact NH2-OE1 2.93Å; R203-E216 PolarHBondContact NH2-OE1 2.86Å; R203-E216 IonicContact NH2-OE2 3.25Å; R203-E216 PolarHBondContact NH2-OE2 2.85Å; A214-E216 PolarHBondContact O-N 3.11Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 2.95Å; E216-V219 PolarHBondContact O-N 3.42Å; E216-H220 WeakPolarHBondContact O-CB 3.41Å; E216-H220 PolarHBondContact O-N 3.31Å
217K91.6Very high90.5Very high100 Ų10060.5 Ų60.544%0.43534%0.338SS..Hα-helixtrans-63.6-39175.6-170.6-179.3179.1-168.50111.4A214 F215 H221 E272 P274A214-K217 PolarHBondContact O-N 3Å; F215-K217 VanDerWaalsContact C-N 3.32Å; F215-K217 PolarHBondContact O-N 3.35Å; K217-H221 VanDerWaalsContact O-CB 3.31Å; K217-H221 WeakPolarHBondContact O-CB 3.43Å; K217-H221 PolarHBondContact O-N 3.06Å; K217-E272 IonicContact NZ-OE1 2.65Å; K217-P274 HydrophobicContact CD-CG 4.44Å; K217-P274 HydrophobicContact CG-CG 4.26Å
218L91.1Very high90.8Very high1 Ų155 Ų551%0.00531%0.312CS..Hα-helixtrans-67.2-46.8177.7172.667.3000112Y206 R209 A214 F215 E216 H221 M222 P274Y206-L218 HydrophobicContact CD1-CD2 3.64Å; Y206-L218 HydrophobicContact CD2-CD2 3.98Å; Y206-L218 HydrophobicContact CD2-CG 4.23Å; Y206-L218 HydrophobicContact CE1-CD2 3.83Å; Y206-L218 HydrophobicContact CE2-CD1 4.45Å; Y206-L218 HydrophobicContact CE2-CD2 4.2Å; Y206-L218 HydrophobicContact CE2-CG 4.23Å; Y206-L218 HydrophobicContact CG-CD2 3.69Å; Y206-L218 HydrophobicContact CG-CG 4.43Å; R209-L218 VanDerWaalsContact NH1-CD2 3.27Å; A214-L218 WeakPolarHBondContact O-CB 3.26Å; A214-L218 PolarHBondContact O-N 2.93Å; F215-L218 WeakPolarHBondContact O-CB 3.46Å; F215-L218 PolarHBondContact O-N 3.25Å; F215-L218 VanDerWaalsContact O-N 3.13Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 2.95Å; L218-H221 WeakPolarHBondContact O-CB 3.35Å; L218-H221 PolarHBondContact O-N 3.05Å; L218-M222 HydrophobicContact CD1-CG 4.33Å; L218-M222 WeakPolarHBondContact O-CG 3.4Å; L218-M222 PolarHBondContact O-N 3.34Å; L218-P274 HydrophobicContact CB-CB 4.36Å; L218-P274 HydrophobicContact CB-CG 4.45Å; L218-P274 HydrophobicContact CD1-CB 3.96Å
219V93.4Very high91.3Very high2 Ų250.9 Ų50.91%0.01229%0.293CS..Hα-helixtrans-61.3-47.6178.2170.90000110E199 M202 R203 F215 E216 H221 M222 C223E199-V219 HydrophobicContact CG-CG1 3.65Å; M202-V219 HydrophobicContact CB-CG1 4.16Å; R203-V219 HydrophobicContact CG-CG1 4.03Å; R203-V219 HydrophobicContact CG-CG2 4.15Å; F215-V219 HydrophobicContact CD2-CG2 4.29Å; F215-V219 HydrophobicContact CE1-CG2 4.23Å; F215-V219 HydrophobicContact CE2-CG2 3.89Å; F215-V219 HydrophobicContact CZ-CG2 3.87Å; F215-V219 WeakPolarHBondContact O-CG2 3.32Å; F215-V219 PolarHBondContact O-N 2.85Å; E216-V219 PolarHBondContact O-N 3.42Å; V219-H221 VanDerWaalsContact C-N 3.3Å; V219-H221 PolarHBondContact O-N 3Å; V219-M222 PolarHBondContact O-N 3.34Å; V219-C223 PolarHBondContact O-N 3.45Å; V219-C223 VanDerWaalsContact O-N 3.15Å; V219-C223 PolarHBondContact O-SG 3.07Å
220H94Very high91.8Very high141 Ų14149 Ų4965%0.65329%0.286SS*.Hα-helixtrans-59.7-41.9177.5-173.170.7000112.2E216 C223 S224E216-H220 WeakPolarHBondContact O-CB 3.41Å; E216-H220 PolarHBondContact O-N 3.31Å; H220-C223 PolarHBondContact O-N 2.97Å; H220-S224 PolarHBondContact O-N 3.22Å; H220-S224 VanDerWaalsContact O-N 3.13Å
221H92.8Very high92.1Very high8 Ų846.2 Ų46.24%0.03726%0.263CS..Hα-helixtrans-59.1-48.1175.317749.5000112.4D168 K217 L218 V219 C223 S224 F275D168-H221 IonicContact OD1-CE1 3.15Å; D168-H221 PolarHBondContact OD1-CE1 3.18Å; D168-H221 IonicContact OD1-NE2 2.79Å; D168-H221 PolarHBondContact OD1-NE2 3.02Å; K217-H221 VanDerWaalsContact O-CB 3.31Å; K217-H221 WeakPolarHBondContact O-CB 3.43Å; K217-H221 PolarHBondContact O-N 3.06Å; L218-H221 WeakPolarHBondContact O-CB 3.35Å; L218-H221 PolarHBondContact O-N 3.05Å; V219-H221 VanDerWaalsContact C-N 3.3Å; V219-H221 PolarHBondContact O-N 3Å; H221-C223 PolarHBondContact O-N 3.32Å; H221-S224 WeakPolarHBondContact O-CB 3.5Å; H221-S224 PolarHBondContact O-N 3.24Å; H221-S224 VanDerWaalsContact O-N 3.14Å; H221-S224 PolarHBondContact O-OG 3.46Å; H221-F275 HydrophobicContact CB-CE1 4.25Å; H221-F275 AromaticContact CE1-CD1 3.23Å; H221-F275 WeakPolarHBondContact CE1-CD1 3.26Å; H221-F275 AromaticContact CE1-CE1 3.58Å; H221-F275 AromaticContact CG-CD1 3.78Å; H221-F275 AromaticContact CG-CE1 3.65Å; H221-F275 AromaticContact ND1-CD1 3.25Å; H221-F275 WeakPolarHBondContact ND1-CD1 3.33Å; H221-F275 AromaticContact ND1-CE1 3.07Å; H221-F275 WeakPolarHBondContact ND1-CE1 3.43Å; H221-F275 AromaticContact NE2-CD1 3.7Å
222M93.9Very high92.5Very high0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-66.4-24-178.9-68.4-63.6-54.300113.4I164 K166 M202 Y206 L218 V219I164-M222 HydrophobicContact CD1-CE 4.39Å; I164-M222 HydrophobicContact CG2-CE 4.07Å; K166-M222 HydrophobicContact CB-SD 4.41Å; K166-M222 HydrophobicContact CD-SD 3.97Å; K166-M222 HydrophobicContact CG-CE 4.44Å; K166-M222 HydrophobicContact CG-SD 3.79Å; M202-M222 HydrophobicContact CB-CB 4.49Å; M202-M222 HydrophobicContact CG-CB 3.75Å; M202-M222 HydrophobicContact SD-CB 3.7Å; M202-M222 HydrophobicContact SD-CE 4.05Å; M202-M222 HydrophobicContact SD-CG 4.17Å; Y206-M222 HydrophobicContact CE2-CG 3.92Å; L218-M222 HydrophobicContact CD1-CG 4.33Å; L218-M222 WeakPolarHBondContact O-CG 3.4Å; L218-M222 PolarHBondContact O-N 3.34Å; V219-M222 PolarHBondContact O-N 3.34Å
223C93.7Very high92.6Very high35 Ų3538.2 Ų38.224%0.23620%0.203CC..THydrogen-bonded Turntrans-93.2-2.9177.7-54.80000113.1V219 H220 H221 G225V219-C223 PolarHBondContact O-N 3.45Å; V219-C223 VanDerWaalsContact O-N 3.15Å; V219-C223 PolarHBondContact O-SG 3.07Å; H220-C223 PolarHBondContact O-N 2.97Å; H221-C223 PolarHBondContact O-N 3.32Å; C223-G225 PolarHBondContact O-N 3.19Å
224S93.8Very high92.4Very high76 Ų7632 Ų3253%0.53117%0.171SC..SBendtrans-76.3-8-172.475.90000114H220 H221H220-S224 PolarHBondContact O-N 3.22Å; H220-S224 VanDerWaalsContact O-N 3.13Å; H221-S224 WeakPolarHBondContact O-CB 3.5Å; H221-S224 PolarHBondContact O-N 3.24Å; H221-S224 VanDerWaalsContact O-N 3.14Å; H221-S224 PolarHBondContact O-OG 3.46Å
225G93.3Very high91.6Very high14 Ų1434.2 Ų34.214%0.14418%0.18CC..SBendtrans178.1-174.3-178.500000113.3C223C223-G225 PolarHBondContact O-N 3.19Å
226P94.7Very high90.1Very high47 Ų4741 Ų4131%0.30521%0.212SC..EExtended strand (participates in β ladder)trans-66.7143178.627.4-33.5000111.5P167 V170 E194P167-P226 WeakPolarHBondContact CA-O 3.14Å; V170-P226 HydrophobicContact CG1-CG 4.17Å; E194-P226 HydrophobicContact CG-CB 3.9Å
227S96.4Very high88.6Confident0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-120.7152.1169.2-60.20000109.3I165 P167 E194 R195I165-S227 VanDerWaalsContact O-CA 3.3Å; I165-S227 WeakPolarHBondContact O-CA 3.4Å; I165-S227 WeakPolarHBondContact O-CB 3.26Å; P167-S227 VanDerWaalsContact CD-OG 3.25Å; P167-S227 WeakPolarHBondContact CD-OG 3.29Å; P167-S227 WeakPolarHBondContact CG-OG 3.4Å; E194-S227 WeakPolarHBondContact CA-O 3.49Å; R195-S227 PolarHBondContact N-O 3.48Å; R195-S227 PolarHBondContact O-N 3Å
228H96.5Very high86.9Confident18 Ų1845 Ų458%0.08325%0.245CC..EExtended strand (participates in β ladder)trans-95.5122.2166.1-68.3-96.5000110I164 I165 T175 N192 E193 E194 L230I164-H228 CarbonylContact C-O 3.54Å; I164-H228 WeakPolarHBondContact CA-O 3.38Å; I165-H228 HydrophobicContact CB-CB 4.1Å; I165-H228 HydrophobicContact CD1-CB 4.27Å; I165-H228 HydrophobicContact CG1-CB 4.38Å; I165-H228 PolarHBondContact N-O 2.92Å; I165-H228 PolarHBondContact O-N 2.74Å; T175-H228 WeakPolarHBondContact CG2-CD2 3.42Å; T175-H228 WeakPolarHBondContact CG2-NE2 3.44Å; N192-H228 PolarHBondContact OD1-ND1 3.4Å; N192-H228 VanDerWaalsContact OD1-ND1 3.11Å; E193-H228 CarbonylContact O-C 3.56Å; E193-H228 WeakPolarHBondContact O-CA 3.45Å; E194-H228 IonicContact OE2-CE1 2.79Å; E194-H228 PolarHBondContact OE2-CE1 3.12Å; E194-H228 VanDerWaalsContact OE2-CE1 3.27Å; E194-H228 IonicContact OE2-NE2 3.58Å; E194-H228 PolarHBondContact OE2-NE2 3.26Å; H228-L230 HydrophobicContact CB-CD2 4.36Å
229L95.3Very high85.7Confident0 Ų050.9 Ų50.90%027%0.273CS..EExtended strand (participates in β ladder)trans-96121.8172-57.690.7000108.7N192 E193 R195 M197 L294 F295N192-L229 WeakPolarHBondContact CA-O 3.23Å; E193-L229 PolarHBondContact N-O 2.97Å; E193-L229 WeakPolarHBondContact O-CD1 3.5Å; E193-L229 PolarHBondContact O-N 3.46Å; R195-L229 HydrophobicContact CB-CD1 3.69Å; M197-L229 HydrophobicContact CE-CD1 3.1Å; M197-L229 HydrophobicContact CE-CD2 3.45Å; M197-L229 VanDerWaalsContact CE-CD2 3.45Å; M197-L229 HydrophobicContact CE-CG 3.61Å; L229-L294 HydrophobicContact CD2-CB 3.89Å; L229-L294 HydrophobicContact CD2-CD1 3.75Å; L229-L294 HydrophobicContact CD2-CD2 4.28Å; L229-L294 HydrophobicContact CD2-CG 4.19Å; L229-F295 HydrophobicContact CB-CE1 4.5Å; L229-F295 HydrophobicContact CB-CE2 3.96Å; L229-F295 HydrophobicContact CB-CZ 3.49Å; L229-F295 VanDerWaalsContact CB-CZ 3.49Å; L229-F295 HydrophobicContact CD2-CE2 4.17Å; L229-F295 HydrophobicContact CD2-CZ 4.2Å; L229-F295 HydrophobicContact CG-CZ 4.49Å
230L94.2Very high85.2Confident0 Ų053.3 Ų53.30%029%0.286CS..EExtended strand (participates in β ladder)trans-117.7137.5-178.5-50.5-180000109.6A163 I165 I179 I182 I189 T191 N192 H228 L232A163-L230 HydrophobicContact CB-CB 4.15Å; A163-L230 PolarHBondContact N-O 2.94Å; A163-L230 PolarHBondContact O-N 3.3Å; I165-L230 HydrophobicContact CD1-CD1 3.99Å; I165-L230 HydrophobicContact CG1-CD1 4.24Å; I179-L230 HydrophobicContact CG1-CD1 4.36Å; I182-L230 HydrophobicContact CD1-CD1 3.68Å; I189-L230 HydrophobicContact CG2-CB 4.47Å; I189-L230 HydrophobicContact CG2-CD2 4.22Å; T191-L230 VanDerWaalsContact O-CA 3.26Å; T191-L230 WeakPolarHBondContact O-CA 3.45Å; N192-L230 HydrophobicContact CB-CD2 3.55Å; N192-L230 VanDerWaalsContact OD1-CD2 3.26Å; N192-L230 WeakPolarHBondContact OD1-CD2 3.3Å; H228-L230 HydrophobicContact CB-CD2 4.36Å; L230-L232 HydrophobicContact CB-CD2 3.96Å; L230-L232 HydrophobicContact CD1-CD2 4.5Å
231I93.2Very high85Confident0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-102.7115.2166.9-57.4179.9000107C160 L190 T191 L291 F295 L298C160-I231 HydrophobicContact CB-CG2 4.05Å; L190-I231 HydrophobicContact CB-CB 4.26Å; L190-I231 HydrophobicContact CB-CG2 4.22Å; L190-I231 HydrophobicContact CD1-CG2 4.17Å; L190-I231 PolarHBondContact N-O 2.94Å; T191-I231 HydrophobicContact CG2-CD1 4.48Å; T191-I231 PolarHBondContact O-N 3.16Å; T191-I231 VanDerWaalsContact O-N 3.1Å; I231-L291 HydrophobicContact CD1-CD2 4.05Å; I231-L291 HydrophobicContact CG1-CD2 3.8Å; I231-L291 HydrophobicContact CG2-CD2 4.32Å; I231-F295 HydrophobicContact CD1-CD1 4.23Å; I231-F295 HydrophobicContact CD1-CD2 3.91Å; I231-F295 HydrophobicContact CD1-CE1 4.33Å; I231-F295 HydrophobicContact CD1-CE2 4Å; I231-F295 HydrophobicContact CD1-CG 4.01Å; I231-F295 HydrophobicContact CD1-CZ 4.19Å; I231-F295 HydrophobicContact CG1-CD2 4.14Å; I231-F295 HydrophobicContact CG1-CE2 3.78Å; I231-F295 HydrophobicContact CG1-CZ 4.03Å; I231-L298 HydrophobicContact CD1-CD1 3.19Å; I231-L298 HydrophobicContact CD1-CD2 3.8Å; I231-L298 HydrophobicContact CD1-CG 4.12Å
232L92.1Very high84.9Confident0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-102135.4-178-52.8-174.9000109.7C160 T161 A163 I182 F187 E188 I189 L230 W245C160-L232 CarbonylContact C-O 3.56Å; C160-L232 VanDerWaalsContact CA-O 3.27Å; C160-L232 WeakPolarHBondContact CA-O 3.44Å; T161-L232 HydrophobicContact CG2-CB 3.9Å; T161-L232 PolarHBondContact N-O 3.27Å; T161-L232 PolarHBondContact O-N 2.7Å; A163-L232 HydrophobicContact CB-CD1 3.52Å; A163-L232 HydrophobicContact CB-CG 3.8Å; I182-L232 HydrophobicContact CG2-CD1 4.2Å; I182-L232 HydrophobicContact CG2-CD2 3.8Å; F187-L232 HydrophobicContact CD1-CB 4.18Å; F187-L232 HydrophobicContact CD1-CD1 4.3Å; F187-L232 HydrophobicContact CG-CD1 4.5Å; E188-L232 WeakPolarHBondContact O-CA 3.4Å; I189-L232 HydrophobicContact CB-CD2 4.46Å; I189-L232 HydrophobicContact CG1-CD2 3.76Å; L230-L232 HydrophobicContact CB-CD2 3.96Å; L230-L232 HydrophobicContact CD1-CD2 4.5Å; L232-W245 HydrophobicContact CD1-CD2 3.73Å; L232-W245 HydrophobicContact CD1-CE3 3.71Å; L232-W245 HydrophobicContact CD1-CG 4.16Å; L232-W245 HydrophobicContact CD1-CZ3 4.17Å
233T89.6Confident84.7Confident0 Ų049.9 Ų49.90%028%0.276CS..EExtended strand (participates in β ladder)trans-126.5164.2167.1-162.80000109.4T159 E188 L190T159-T233 PolarHBondContact O-OG1 3.03Å; E188-T233 HydrophobicContact CB-CG2 3.73Å; E188-T233 HydrophobicContact CG-CG2 4.07Å; E188-T233 PolarHBondContact N-O 3.31Å; E188-T233 PolarHBondContact O-N 3.32Å; L190-T233 HydrophobicContact CD1-CG2 3.85Å; L190-T233 HydrophobicContact CD2-CG2 3.75Å; L190-T233 HydrophobicContact CG-CG2 3.69Å
234R83.6Confident84.6Confident77 Ų7748.4 Ų48.429%0.29127%0.265SS..  trans-140.9115.4177.1-170.2175.2177.5168.710.3108.4E236 V241 S244R234-E236 WeakPolarHBondContact CG-O 3.33Å; R234-E236 PolarHBondContact NE-O 2.98Å; R234-V241 HydrophobicContact CB-CG2 4.12Å; R234-S244 VanDerWaalsContact NH1-CB 3.34Å; R234-S244 PolarHBondContact NH1-OG 3.13Å
235T68.6Low84.7Confident86 Ų8644.9 Ų44.953%0.52824%0.24SC..SBendtrans-89.6-11.1-179540000112.9
236E58.9Low84.7Confident153 Ų15350.3 Ų50.372%0.71526%0.257SS*.SBendtrans-126.3115.9-174.2-62.7-173.3-178.200111.4R234R234-E236 WeakPolarHBondContact CG-O 3.33Å; R234-E236 PolarHBondContact NE-O 2.98Å
237G58.9Low84.6Confident60 Ų6052 Ų5262%0.61927%0.266SS*.  trans137.5162.7174.900000113.2
238F57.8Low84.6Confident226 Ų22654 Ų5499%0.99128%0.277SS*.SBendtrans-92-11.5171.1-61.3-80.6000112.3
239E64.1Low84.5Confident126 Ų12653.3 Ų53.359%0.58927%0.273SS*.SBendtrans-86.9138.8-177.7-71.6-174.6169.900111.3
240D84.3Confident84.5Confident53 Ų5353.7 Ų53.728%0.28328%0.277SS..  trans-57.6142.9174.4168.375000111.9V242 T243 S244D240-V242 VanDerWaalsContact C-N 3.34Å; D240-V242 PolarHBondContact O-N 3.3Å; D240-V242 WeakPolarHBondContact OD2-CA 3.35Å; D240-V242 WeakPolarHBondContact OD2-CB 3.42Å; D240-V242 PolarHBondContact OD2-N 3.13Å; D240-T243 PolarHBondContact O-N 2.97Å; D240-T243 PolarHBondContact OD2-N 3.14Å; D240-T243 PolarHBondContact OD2-OG1 3.28Å; D240-S244 WeakPolarHBondContact O-CB 3.46Å; D240-S244 PolarHBondContact O-N 3.49Å; D240-S244 PolarHBondContact O-OG 2.91Å
241V89.3Confident84.4Confident1 Ų155 Ų551%0.00629%0.286CS..Hα-helixtrans-63.7-37.9-175.4680000112.1T161 F187 R234 S244 W245T161-V241 HydrophobicContact CG2-CG1 4.22Å; T161-V241 HydrophobicContact CG2-CG2 3.81Å; F187-V241 HydrophobicContact CD1-CG2 4.18Å; F187-V241 HydrophobicContact CE1-CG2 4.02Å; R234-V241 HydrophobicContact CB-CG2 4.12Å; V241-S244 PolarHBondContact O-N 2.93Å; V241-W245 WeakPolarHBondContact O-CB 3.31Å; V241-W245 PolarHBondContact O-N 3.38Å
242V90.8Very high84.2Confident2 Ų257.8 Ų57.81%0.01231%0.305CS..Hα-helixtrans-66.5-46.2178.6-174.40000109D240 S244 W245 R246 S281 A287D240-V242 VanDerWaalsContact C-N 3.34Å; D240-V242 PolarHBondContact O-N 3.3Å; D240-V242 WeakPolarHBondContact OD2-CA 3.35Å; D240-V242 WeakPolarHBondContact OD2-CB 3.42Å; D240-V242 PolarHBondContact OD2-N 3.13Å; V242-S244 PolarHBondContact O-N 3.24Å; V242-W245 PolarHBondContact O-N 3.15Å; V242-R246 HydrophobicContact CG1-CG 4.49Å; V242-R246 WeakPolarHBondContact O-CB 3.43Å; V242-R246 VanDerWaalsContact O-CG 3.27Å; V242-R246 WeakPolarHBondContact O-CG 3.25Å; V242-R246 PolarHBondContact O-N 3.1Å; V242-S281 VanDerWaalsContact CG1-O 3.23Å; V242-S281 WeakPolarHBondContact CG1-O 3.31Å; V242-A287 HydrophobicContact CG2-CB 4.2Å
243T90.4Very high84.2Confident74 Ų7460.3 Ų60.345%0.45432%0.318SS..Hα-helixtrans-61.7-44.7178-57.50000111.9D240 W245 R246 T247D240-T243 PolarHBondContact O-N 2.97Å; D240-T243 PolarHBondContact OD2-N 3.14Å; D240-T243 PolarHBondContact OD2-OG1 3.28Å; T243-W245 PolarHBondContact O-N 3.39Å; T243-R246 PolarHBondContact O-N 3.29Å; T243-T247 PolarHBondContact O-N 3.45Å; T243-T247 PolarHBondContact O-OG1 3.45Å
244S91.8Very high84.3Confident3 Ų360.3 Ų60.32%0.02132%0.318CS..Hα-helixtrans-59.5-47.8175.5-62.10000110.7R234 D240 V241 V242 R246 T247 I248R234-S244 VanDerWaalsContact NH1-CB 3.34Å; R234-S244 PolarHBondContact NH1-OG 3.13Å; D240-S244 WeakPolarHBondContact O-CB 3.46Å; D240-S244 PolarHBondContact O-N 3.49Å; D240-S244 PolarHBondContact O-OG 2.91Å; V241-S244 PolarHBondContact O-N 2.93Å; V242-S244 PolarHBondContact O-N 3.24Å; S244-R246 PolarHBondContact O-N 3Å; S244-T247 WeakPolarHBondContact O-CB 3.4Å; S244-T247 PolarHBondContact O-N 3.01Å; S244-I248 PolarHBondContact O-N 3.37Å
245W94.9Very high84.8Confident2 Ų259.8 Ų59.81%0.00832%0.321CS..Hα-helixtrans-63.3-43.9-178.3174.5-133.7000111.2T161 A163 I182 F187 L232 V241 V242 T243 T247 I248 M249 L265 V278 H279 G280T161-W245 HydrophobicContact CG2-CB 4.12Å; T161-W245 HydrophobicContact CG2-CG 4.33Å; A163-W245 HydrophobicContact CB-CD2 4.35Å; A163-W245 HydrophobicContact CB-CH2 4.28Å; A163-W245 HydrophobicContact CB-CZ2 3.48Å; A163-W245 VanDerWaalsContact CB-CZ2 3.48Å; I182-W245 HydrophobicContact CD1-CH2 3.89Å; I182-W245 HydrophobicContact CD1-CZ3 4.04Å; I182-W245 HydrophobicContact CG1-CH2 4.03Å; I182-W245 HydrophobicContact CG1-CZ3 3.69Å; F187-W245 HydrophobicContact CE1-CB 4.09Å; F187-W245 HydrophobicContact CZ-CB 4.15Å; L232-W245 HydrophobicContact CD1-CD2 3.73Å; L232-W245 HydrophobicContact CD1-CE3 3.71Å; L232-W245 HydrophobicContact CD1-CG 4.16Å; L232-W245 HydrophobicContact CD1-CZ3 4.17Å; V241-W245 WeakPolarHBondContact O-CB 3.31Å; V241-W245 PolarHBondContact O-N 3.38Å; V242-W245 PolarHBondContact O-N 3.15Å; T243-W245 PolarHBondContact O-N 3.39Å; W245-T247 VanDerWaalsContact C-N 3.26Å; W245-T247 PolarHBondContact O-N 2.94Å; W245-I248 HydrophobicContact CD2-CG1 4.45Å; W245-I248 HydrophobicContact CE3-CD1 3.42Å; W245-I248 VanDerWaalsContact CE3-CD1 3.42Å; W245-I248 HydrophobicContact CE3-CG1 3.39Å; W245-I248 HydrophobicContact CZ3-CD1 3.33Å; W245-I248 HydrophobicContact CZ3-CG1 3.6Å; W245-I248 VanDerWaalsContact O-CG1 3.3Å; W245-I248 WeakPolarHBondContact O-CG1 3.34Å; W245-I248 PolarHBondContact O-N 3.27Å; W245-M249 HydrophobicContact CD2-CE 4.38Å; W245-M249 HydrophobicContact CD2-CG 3.88Å; W245-M249 HydrophobicContact CD2-SD 4.29Å; W245-M249 VanDerWaalsContact CE2-SD 3.51Å; W245-M249 HydrophobicContact CE3-CG 4.21Å; W245-M249 HydrophobicContact CG-CE 4.13Å; W245-M249 HydrophobicContact CH2-CG 3.88Å; W245-M249 HydrophobicContact CZ2-CG 3.54Å; W245-M249 HydrophobicContact CZ2-SD 3.69Å; W245-M249 HydrophobicContact CZ3-CG 4.19Å; W245-M249 PolarHBondContact NE1-SD 3.49Å; W245-M249 WeakPolarHBondContact O-CG 3.33Å; W245-M249 PolarHBondContact O-N 3.3Å; W245-L265 HydrophobicContact CH2-CD1 3.44Å; W245-L265 VanDerWaalsContact CH2-CD1 3.44Å; W245-L265 HydrophobicContact CZ3-CD1 3.51Å; W245-V278 HydrophobicContact CZ2-CB 4.35Å; W245-H279 PolarHBondContact NE1-O 3.02Å; W245-G280 VanDerWaalsContact NE1-CA 3.3Å
246R93.6Very high86.1Confident128 Ų12857.2 Ų57.248%0.48331%0.305SS..Hα-helixtrans-59.9-36.4175.3-73.3-17764.2170.6-0.4113V242 T243 S244 M249 G250 R282V242-R246 HydrophobicContact CG1-CG 4.49Å; V242-R246 WeakPolarHBondContact O-CB 3.43Å; V242-R246 VanDerWaalsContact O-CG 3.27Å; V242-R246 WeakPolarHBondContact O-CG 3.25Å; V242-R246 PolarHBondContact O-N 3.1Å; T243-R246 PolarHBondContact O-N 3.29Å; S244-R246 PolarHBondContact O-N 3Å; R246-M249 HydrophobicContact CB-CE 4.35Å; R246-M249 HydrophobicContact CG-CE 3.86Å; R246-G250 PolarHBondContact O-N 3.23Å; R246-G250 VanDerWaalsContact O-N 3.07Å; R246-R282 WeakPolarHBondContact CD-O 3.47Å; R246-R282 PolarHBondContact NH1-O 3.46Å
247T92.9Very high87.8Confident83 Ų8350 Ų5051%0.50927%0.271SS..Hα-helixtrans-63.5-44.5177.6-60.70000111.3T243 S244 W245 G250T243-T247 PolarHBondContact O-N 3.45Å; T243-T247 PolarHBondContact O-OG1 3.45Å; S244-T247 WeakPolarHBondContact O-CB 3.4Å; S244-T247 PolarHBondContact O-N 3.01Å; W245-T247 VanDerWaalsContact C-N 3.26Å; W245-T247 PolarHBondContact O-N 2.94Å; T247-G250 PolarHBondContact O-N 3.05Å
248I94.9Very high89.6Confident43 Ų4352.6 Ų52.622%0.22126%0.263CS..Hα-helixtrans-76.9-29-179.870.6159.7000113.2A185 F187 S244 W245 S264 L265A185-I248 HydrophobicContact CB-CD1 3.92Å; A185-I248 HydrophobicContact CB-CG2 4.18Å; F187-I248 HydrophobicContact CD2-CD1 3.97Å; F187-I248 HydrophobicContact CE2-CD1 3.5Å; F187-I248 HydrophobicContact CE2-CG1 4.04Å; F187-I248 HydrophobicContact CE2-CG2 4.33Å; F187-I248 HydrophobicContact CZ-CD1 4.35Å; S244-I248 PolarHBondContact O-N 3.37Å; W245-I248 HydrophobicContact CD2-CG1 4.45Å; W245-I248 HydrophobicContact CE3-CD1 3.42Å; W245-I248 VanDerWaalsContact CE3-CD1 3.42Å; W245-I248 HydrophobicContact CE3-CG1 3.39Å; W245-I248 HydrophobicContact CZ3-CD1 3.33Å; W245-I248 HydrophobicContact CZ3-CG1 3.6Å; W245-I248 VanDerWaalsContact O-CG1 3.3Å; W245-I248 WeakPolarHBondContact O-CG1 3.34Å; W245-I248 PolarHBondContact O-N 3.27Å; I248-S264 WeakPolarHBondContact O-CA 3.33Å; I248-L265 HydrophobicContact CD1-CD1 4.27Å; I248-L265 HydrophobicContact CG1-CD1 4.46Å; I248-L265 PolarHBondContact O-N 3.23Å
249M95.8Very high91.4Very high2 Ų250.1 Ų50.11%0.0125%0.247CC..Hα-helixtrans-64.3-40.4171.8-75.7-164.4-70.300112.3W245 R246 S264 R266 V278 H279 G280W245-M249 HydrophobicContact CD2-CE 4.38Å; W245-M249 HydrophobicContact CD2-CG 3.88Å; W245-M249 HydrophobicContact CD2-SD 4.29Å; W245-M249 VanDerWaalsContact CE2-SD 3.51Å; W245-M249 HydrophobicContact CE3-CG 4.21Å; W245-M249 HydrophobicContact CG-CE 4.13Å; W245-M249 HydrophobicContact CH2-CG 3.88Å; W245-M249 HydrophobicContact CZ2-CG 3.54Å; W245-M249 HydrophobicContact CZ2-SD 3.69Å; W245-M249 HydrophobicContact CZ3-CG 4.19Å; W245-M249 PolarHBondContact NE1-SD 3.49Å; W245-M249 WeakPolarHBondContact O-CG 3.33Å; W245-M249 PolarHBondContact O-N 3.3Å; R246-M249 HydrophobicContact CB-CE 4.35Å; R246-M249 HydrophobicContact CG-CE 3.86Å; M249-S264 WeakPolarHBondContact O-CB 3.3Å; M249-R266 VanDerWaalsContact O-CB 3.23Å; M249-R266 WeakPolarHBondContact O-CB 3.39Å; M249-R266 WeakPolarHBondContact O-CG 3.15Å; M249-R266 PolarHBondContact O-N 3.07Å; M249-R266 VanDerWaalsContact O-N 3.07Å; M249-V278 HydrophobicContact CB-CG2 4.3Å; M249-V278 HydrophobicContact CG-CG2 3.79Å; M249-V278 HydrophobicContact SD-CB 4.49Å; M249-V278 HydrophobicContact SD-CG2 4.04Å; M249-H279 VanDerWaalsContact SD-C 3.53Å; M249-G280 PolarHBondContact SD-N 3.35Å
250G94Very high92.9Very high8 Ų850.5 Ų50.58%0.08225%0.248CC..  trans75.4-173.5-175.100000114.7R246 T247 Q261 R266R246-G250 PolarHBondContact O-N 3.23Å; R246-G250 VanDerWaalsContact O-N 3.07Å; T247-G250 PolarHBondContact O-N 3.05Å; G250-Q261 VanDerWaalsContact CA-OE1 3.23Å; G250-R266 PolarHBondContact O-NH1 3.37Å
251P92.3Very high93.4Very high28 Ų2851.9 Ų51.918%0.18225%0.253CS..  trans-53.9144.7-177.3-26.934000113.3D253 V256 A257 R266P251-D253 VanDerWaalsContact C-N 3.31Å; P251-D253 PolarHBondContact O-N 2.73Å; P251-V256 HydrophobicContact CB-CB 4.19Å; P251-V256 HydrophobicContact CB-CG1 3.87Å; P251-V256 HydrophobicContact CG-CG1 4.19Å; P251-A257 HydrophobicContact CB-CB 4.28Å; P251-A257 HydrophobicContact CG-CB 4.36Å; P251-R266 WeakPolarHBondContact O-CD 3.47Å
252C89.7Confident93.6Very high59 Ų5955.3 Ų55.340%0.39928%0.276SS..SBendtrans-58.8-39.9-174.4-167.60000113.4P254 M273 N276C252-P254 WeakPolarHBondContact O-CD 3.38Å; C252-M273 VanDerWaalsContact O-SD 3.34Å; C252-N276 WeakPolarHBondContact O-CB 3.39Å; C252-N276 PolarHBondContact O-ND2 3.01Å
253D91.6Very high93.8Very high53 Ų5362.5 Ų62.528%0.28331%0.309SS..SBendtrans-81.5118.5176-179.9-18.2000110.6P251 N255 V256 A257 M273P251-D253 VanDerWaalsContact C-N 3.31Å; P251-D253 PolarHBondContact O-N 2.73Å; D253-N255 PolarHBondContact O-N 2.99Å; D253-N255 VanDerWaalsContact O-N 3.17Å; D253-N255 VanDerWaalsContact OD1-CB 3.31Å; D253-N255 WeakPolarHBondContact OD1-CB 3.01Å; D253-N255 PolarHBondContact OD1-N 2.83Å; D253-N255 PolarHBondContact OD1-ND2 3.02Å; D253-V256 HydrophobicContact CB-CB 4.11Å; D253-V256 HydrophobicContact CB-CG2 3.82Å; D253-V256 PolarHBondContact O-N 3.09Å; D253-A257 PolarHBondContact O-N 3.17Å; D253-M273 HydrophobicContact CB-CG 4.16Å
254P92.8Very high94.1Very high0 Ų059.3 Ų59.30%029%0.29CS..Hα-helixtrans-54.9-31.7177.8-28.537.7000114.6C252 A257 R258 R266 N276C252-P254 WeakPolarHBondContact O-CD 3.38Å; P254-A257 PolarHBondContact O-N 3.03Å; P254-R258 WeakPolarHBondContact O-CB 3.35Å; P254-R258 WeakPolarHBondContact O-CG 3.39Å; P254-R258 PolarHBondContact O-N 3.43Å; P254-R258 PolarHBondContact O-NE 3.32Å; P254-R266 WeakPolarHBondContact CB-O 2.98Å; P254-N276 HydrophobicContact CG-CB 3.79Å
255N93.8Very high94.3Very high66 Ų6659.4 Ų59.435%0.35329%0.29SS..Hα-helixtrans-72.2-37178.1-62.4-53.6000111.9D253 R258 R259D253-N255 PolarHBondContact O-N 2.99Å; D253-N255 VanDerWaalsContact O-N 3.17Å; D253-N255 VanDerWaalsContact OD1-CB 3.31Å; D253-N255 WeakPolarHBondContact OD1-CB 3.01Å; D253-N255 PolarHBondContact OD1-N 2.83Å; D253-N255 PolarHBondContact OD1-ND2 3.02Å; N255-R258 PolarHBondContact OD1-NH2 3.43Å; N255-R259 WeakPolarHBondContact O-CG 3.37Å; N255-R259 PolarHBondContact O-N 3.14Å; N255-R259 PolarHBondContact O-NH1 3.1Å; N255-R259 VanDerWaalsContact O-NH1 3.16Å
256V95.2Very high94.4Very high32 Ų3260.5 Ų60.519%0.19429%0.294CS..Hα-helixtrans-69.1-44.4172.8179.50000109.6P251 D253 R258 R259 Q260P251-V256 HydrophobicContact CB-CB 4.19Å; P251-V256 HydrophobicContact CB-CG1 3.87Å; P251-V256 HydrophobicContact CG-CG1 4.19Å; D253-V256 HydrophobicContact CB-CB 4.11Å; D253-V256 HydrophobicContact CB-CG2 3.82Å; D253-V256 PolarHBondContact O-N 3.09Å; V256-R258 PolarHBondContact O-N 3.29Å; V256-R259 PolarHBondContact O-N 3.43Å; V256-R259 VanDerWaalsContact O-N 3.1Å; V256-Q260 HydrophobicContact CG1-CG 4.16Å; V256-Q260 PolarHBondContact O-N 2.75Å
257A95.3Very high94.6Very high0 Ų054.7 Ų54.70%027%0.274CS..Hα-helixtrans-56.6-48.7176.900000111.4P251 D253 P254 R259 Q260 Q261 R266 A267P251-A257 HydrophobicContact CB-CB 4.28Å; P251-A257 HydrophobicContact CG-CB 4.36Å; D253-A257 PolarHBondContact O-N 3.17Å; P254-A257 PolarHBondContact O-N 3.03Å; A257-R259 PolarHBondContact O-N 3.42Å; A257-Q260 PolarHBondContact O-N 2.89Å; A257-Q261 CarbonylContact O-C 3Å; A257-Q261 WeakPolarHBondContact O-CA 3.43Å; A257-Q261 PolarHBondContact O-N 2.92Å; A257-Q261 VanDerWaalsContact O-O 3.05Å; A257-R266 HydrophobicContact CB-CB 4.1Å; A257-A267 HydrophobicContact CB-CB 3.9Å
258R96.2Very high94.7Very high115 Ų11554 Ų5443%0.43427%0.265SS..Hα-helixtrans-58.5-30.6176.4-77.4-175.2-78.1-152-1.9114.2P254 N255 V256 A267 T271P254-R258 WeakPolarHBondContact O-CB 3.35Å; P254-R258 WeakPolarHBondContact O-CG 3.39Å; P254-R258 PolarHBondContact O-N 3.43Å; P254-R258 PolarHBondContact O-NE 3.32Å; N255-R258 PolarHBondContact OD1-NH2 3.43Å; V256-R258 PolarHBondContact O-N 3.29Å; R258-A267 HydrophobicContact CB-CB 4.5Å; R258-A267 HydrophobicContact CG-CB 3.88Å; R258-A267 WeakPolarHBondContact CG-O 3.45Å; R258-T271 PolarHBondContact NH2-O 3.46Å
259R95.6Very high94.8Very high175 Ų17553 Ų5366%0.6626%0.258SS*.Hα-helixtrans-83.2-38.4178.5-69.4-171.2-58.2-92.93.8113.1N255 V256 A257N255-R259 WeakPolarHBondContact O-CG 3.37Å; N255-R259 PolarHBondContact O-N 3.14Å; N255-R259 PolarHBondContact O-NH1 3.1Å; N255-R259 VanDerWaalsContact O-NH1 3.16Å; V256-R259 PolarHBondContact O-N 3.43Å; V256-R259 VanDerWaalsContact O-N 3.1Å; A257-R259 PolarHBondContact O-N 3.42Å
260Q95.3Very high94.7Very high133 Ų13353.2 Ų53.262%0.62126%0.26SS*.Hα-helixtrans-98.9-37.8-170.6-64.6-177.51.400113.1V256 A257V256-Q260 HydrophobicContact CG1-CG 4.16Å; V256-Q260 PolarHBondContact O-N 2.75Å; A257-Q260 PolarHBondContact O-N 2.89Å
261Q94.9Very high94.5Very high82 Ų8256 Ų5638%0.38328%0.276SS..  trans-141.272.6-175.4-63.4-177.9-3.200110.1G250 A257 E263 S264 A267G250-Q261 VanDerWaalsContact CA-OE1 3.23Å; A257-Q261 CarbonylContact O-C 3Å; A257-Q261 WeakPolarHBondContact O-CA 3.43Å; A257-Q261 PolarHBondContact O-N 2.92Å; A257-Q261 VanDerWaalsContact O-O 3.05Å; Q261-E263 PolarHBondContact O-N 3.3Å; Q261-E263 VanDerWaalsContact O-N 3.1Å; Q261-S264 VanDerWaalsContact O-CB 3.31Å; Q261-S264 WeakPolarHBondContact O-CB 3.45Å; Q261-S264 PolarHBondContact O-N 2.81Å; Q261-S264 PolarHBondContact O-OG 2.93Å; Q261-A267 VanDerWaalsContact O-CB 3.31Å; Q261-A267 WeakPolarHBondContact O-CB 3.23Å
262P94.3Very high94.4Very high74 Ų7459.4 Ų59.448%0.48129%0.29SS..THydrogen-bonded Turntrans-57.8-27.6-174.8-22.732.2000114.1S264 A267P262-S264 VanDerWaalsContact C-N 3.33Å; P262-A267 VanDerWaalsContact O-CB 3.31Å; P262-A267 WeakPolarHBondContact O-CB 3.47Å
263E94.2Very high94.3Very high152 Ų15259.9 Ų59.971%0.7129%0.287SS*.THydrogen-bonded Turntrans-83.4-6.2179.6-59.1-51.9137.700113.8Q261 Q268Q261-E263 PolarHBondContact O-N 3.3Å; Q261-E263 VanDerWaalsContact O-N 3.1Å; E263-Q268 PolarHBondContact O-NE2 3.07Å; E263-Q268 PolarHBondContact OE2-NE2 3.48Å
264S97.2Very high94.1Very high7 Ų757.5 Ų57.55%0.04928%0.275CS..SBendtrans-69.2153.2178.865.90000112.6I248 M249 Q261 P262 R266 A267 Q268I248-S264 WeakPolarHBondContact O-CA 3.33Å; M249-S264 WeakPolarHBondContact O-CB 3.3Å; Q261-S264 VanDerWaalsContact O-CB 3.31Å; Q261-S264 WeakPolarHBondContact O-CB 3.45Å; Q261-S264 PolarHBondContact O-N 2.81Å; Q261-S264 PolarHBondContact O-OG 2.93Å; P262-S264 VanDerWaalsContact C-N 3.33Å; S264-R266 VanDerWaalsContact C-N 3.27Å; S264-R266 PolarHBondContact O-N 3.45Å; S264-A267 WeakPolarHBondContact O-CB 3.35Å; S264-A267 PolarHBondContact O-N 3.19Å; S264-A267 WeakPolarHBondContact OG-CB 3.48Å; S264-A267 PolarHBondContact OG-N 3.47Å; S264-Q268 WeakPolarHBondContact O-CG 3.48Å; S264-Q268 PolarHBondContact O-N 2.86Å
265L96.4Very high94Very high5 Ų560 Ų603%0.02629%0.285CS..Hα-helixtrans-58-40.1-179.9-63.3176.1000112I178 K181 W245 I248 A267 Q268 Y269 V278I178-L265 HydrophobicContact CG2-CD1 4.41Å; K181-L265 HydrophobicContact CB-CD2 4.01Å; K181-L265 HydrophobicContact CD-CD2 3.74Å; W245-L265 HydrophobicContact CH2-CD1 3.44Å; W245-L265 VanDerWaalsContact CH2-CD1 3.44Å; W245-L265 HydrophobicContact CZ3-CD1 3.51Å; I248-L265 HydrophobicContact CD1-CD1 4.27Å; I248-L265 HydrophobicContact CG1-CD1 4.46Å; I248-L265 PolarHBondContact O-N 3.23Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 3.09Å; L265-Q268 PolarHBondContact O-N 3.44Å; L265-Y269 HydrophobicContact CB-CD2 4.34Å; L265-Y269 HydrophobicContact CD2-CD2 4.14Å; L265-Y269 HydrophobicContact CD2-CE2 3.76Å; L265-Y269 VanDerWaalsContact O-CD2 3.28Å; L265-Y269 WeakPolarHBondContact O-CD2 3.07Å; L265-Y269 PolarHBondContact O-N 3.21Å; L265-V278 HydrophobicContact CB-CG2 3.96Å; L265-V278 HydrophobicContact CD1-CG1 4.48Å; L265-V278 HydrophobicContact CD1-CG2 4.44Å
266R97.1Very high94Very high25 Ų2557 Ų579%0.09427%0.27CS..Hα-helixtrans-68.7-27.6177.9-68.9178174.4151.2-1.2112.9M249 G250 P251 P254 A257 S264 G270 N276 V278M249-R266 VanDerWaalsContact O-CB 3.23Å; M249-R266 WeakPolarHBondContact O-CB 3.39Å; M249-R266 WeakPolarHBondContact O-CG 3.15Å; M249-R266 PolarHBondContact O-N 3.07Å; M249-R266 VanDerWaalsContact O-N 3.07Å; G250-R266 PolarHBondContact O-NH1 3.37Å; P251-R266 WeakPolarHBondContact O-CD 3.47Å; P254-R266 WeakPolarHBondContact CB-O 2.98Å; A257-R266 HydrophobicContact CB-CB 4.1Å; S264-R266 VanDerWaalsContact C-N 3.27Å; S264-R266 PolarHBondContact O-N 3.45Å; R266-G270 VanDerWaalsContact O-CA 3.26Å; R266-G270 WeakPolarHBondContact O-CA 3.41Å; R266-G270 PolarHBondContact O-N 2.86Å; R266-G270 VanDerWaalsContact O-N 3.09Å; R266-N276 HydrophobicContact CG-CB 4.29Å; R266-N276 WeakPolarHBondContact CG-O 3.26Å; R266-N276 PolarHBondContact NE-ND2 3.42Å; R266-V278 HydrophobicContact CG-CG2 3.89Å; R266-V278 PolarHBondContact NE-O 3.21Å; R266-V278 PolarHBondContact NH2-O 3.41Å
267A96.4Very high93.9Very high7 Ų755.5 Ų55.56%0.05826%0.26CS..Hα-helixtrans-74.5-38.8174.400000112.5A257 R258 Q261 P262 S264 L265A257-A267 HydrophobicContact CB-CB 3.9Å; R258-A267 HydrophobicContact CB-CB 4.5Å; R258-A267 HydrophobicContact CG-CB 3.88Å; R258-A267 WeakPolarHBondContact CG-O 3.45Å; Q261-A267 VanDerWaalsContact O-CB 3.31Å; Q261-A267 WeakPolarHBondContact O-CB 3.23Å; P262-A267 VanDerWaalsContact O-CB 3.31Å; P262-A267 WeakPolarHBondContact O-CB 3.47Å; S264-A267 WeakPolarHBondContact O-CB 3.35Å; S264-A267 PolarHBondContact O-N 3.19Å; S264-A267 WeakPolarHBondContact OG-CB 3.48Å; S264-A267 PolarHBondContact OG-N 3.47Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 3.09Å
268Q96.2Very high94Very high68 Ų6855.5 Ų55.532%0.31826%0.26SS..Hα-helixtrans-79.8-38.3-176.4-62.2-167.640.800112.7K181 E263 S264 L265K181-Q268 VanDerWaalsContact NZ-CD 3.33Å; E263-Q268 PolarHBondContact O-NE2 3.07Å; E263-Q268 PolarHBondContact OE2-NE2 3.48Å; S264-Q268 WeakPolarHBondContact O-CG 3.48Å; S264-Q268 PolarHBondContact O-N 2.86Å; L265-Q268 PolarHBondContact O-N 3.44Å
269Y95.8Very high94Very high23 Ų2351 Ų519%0.0924%0.244CC..Hα-helixtrans-116.7-18.3-171-52.6-65.8000114.3K174 E177 I178 K181 L265K174-Y269 HydrophobicContact CB-CD1 4.01Å; K174-Y269 HydrophobicContact CB-CE1 4.35Å; K174-Y269 HydrophobicContact CD-CD1 4.22Å; K174-Y269 HydrophobicContact CD-CE1 4.17Å; K174-Y269 HydrophobicContact CG-CD1 3.95Å; K174-Y269 HydrophobicContact CG-CE1 4.36Å; E177-Y269 HydrophobicContact CG-CE1 4.43Å; E177-Y269 VanDerWaalsContact CG-OH 3.29Å; E177-Y269 WeakPolarHBondContact CG-OH 3.25Å; E177-Y269 WeakPolarHBondContact OE1-CE1 3.23Å; E177-Y269 PolarHBondContact OE1-OH 3.48Å; I178-Y269 HydrophobicContact CD1-CD2 3.96Å; I178-Y269 HydrophobicContact CD1-CE2 4.44Å; I178-Y269 HydrophobicContact CD1-CG 4.01Å; I178-Y269 HydrophobicContact CG1-CD1 4.44Å; I178-Y269 HydrophobicContact CG1-CD2 3.58Å; I178-Y269 HydrophobicContact CG1-CE1 4.44Å; I178-Y269 HydrophobicContact CG1-CE2 3.58Å; I178-Y269 HydrophobicContact CG1-CG 4.03Å; K181-Y269 HydrophobicContact CD-CE2 3.91Å; K181-Y269 VanDerWaalsContact CD-OH 3.29Å; K181-Y269 WeakPolarHBondContact CD-OH 3.19Å; K181-Y269 WeakPolarHBondContact CE-OH 3.27Å; L265-Y269 HydrophobicContact CB-CD2 4.34Å; L265-Y269 HydrophobicContact CD2-CD2 4.14Å; L265-Y269 HydrophobicContact CD2-CE2 3.76Å; L265-Y269 VanDerWaalsContact O-CD2 3.28Å; L265-Y269 WeakPolarHBondContact O-CD2 3.07Å; L265-Y269 PolarHBondContact O-N 3.21Å
270G93.8Very high93.9Very high5 Ų543 Ų435%0.05222%0.216CC..  trans-75.4144.517800000112.5R266R266-G270 VanDerWaalsContact O-CA 3.26Å; R266-G270 WeakPolarHBondContact O-CA 3.41Å; R266-G270 PolarHBondContact O-N 2.86Å; R266-G270 VanDerWaalsContact O-N 3.09Å
271T91.3Very high93.7Very high68 Ų6836.7 Ų36.742%0.41719%0.187SC..  trans-104.6-63.1-179.152.80000111.5R258 F275R258-T271 PolarHBondContact NH2-O 3.46Å; T271-F275 PolarHBondContact N-O 3.49Å; T271-F275 VanDerWaalsContact OG1-CB 3.27Å; T271-F275 WeakPolarHBondContact OG1-CB 3.41Å; T271-F275 PolarHBondContact OG1-O 2.72Å
272E89.6Confident93.2Very high98 Ų9838.3 Ų38.346%0.45819%0.189SC..BIsolated β-bridgetrans-151.8174.5178.566172.7-157.200110.4K217 P274 F275K217-E272 IonicContact NZ-OE1 2.65Å; E272-P274 CarbonylContact O-C 3.05Å; E272-F275 HydrophobicContact CG-CD2 3.8Å; E272-F275 CarbonylContact O-C 3.56Å; E272-F275 WeakPolarHBondContact O-CA 3.16Å; E272-F275 WeakPolarHBondContact O-CB 3.46Å; E272-F275 PolarHBondContact O-N 3.2Å; E272-F275 VanDerWaalsContact O-O 3.04Å
273M87.7Confident92.8Very high69 Ų6937.9 Ų37.934%0.3418%0.183SC..THydrogen-bonded Turntrans-79.2133.3173-75-66.2-71.700111.1C252 D253C252-M273 VanDerWaalsContact O-SD 3.34Å; D253-M273 HydrophobicContact CB-CG 4.16Å
274P86.2Confident92.5Very high4 Ų436.1 Ų36.13%0.02617%0.17CC..THydrogen-bonded Turncis-93.510.84.336.9-36.3000116.4K166 K217 L218 E272 N276K166-P274 PolarHBondContact NZ-O 2.79Å; K217-P274 HydrophobicContact CD-CG 4.44Å; K217-P274 HydrophobicContact CG-CG 4.26Å; L218-P274 HydrophobicContact CB-CB 4.36Å; L218-P274 HydrophobicContact CB-CG 4.45Å; L218-P274 HydrophobicContact CD1-CB 3.96Å; E272-P274 CarbonylContact O-C 3.05Å; P274-N276 VanDerWaalsContact C-N 3.32Å; P274-N276 PolarHBondContact O-N 3.03Å; P274-N276 VanDerWaalsContact O-N 3.07Å; P274-N276 PolarHBondContact O-OD1 2.7Å
275F91.5Very high91.9Very high52 Ų5242 Ų4223%0.22820%0.196CC..BIsolated β-bridgetrans-79.965.3-179.6-51.9-92.4000112.9D168 H221 T271 E272D168-F275 HydrophobicContact CB-CD1 4.24Å; D168-F275 VanDerWaalsContact OD2-C 3.3Å; H221-F275 HydrophobicContact CB-CE1 4.25Å; H221-F275 AromaticContact CE1-CD1 3.23Å; H221-F275 WeakPolarHBondContact CE1-CD1 3.26Å; H221-F275 AromaticContact CE1-CE1 3.58Å; H221-F275 AromaticContact CG-CD1 3.78Å; H221-F275 AromaticContact CG-CE1 3.65Å; H221-F275 AromaticContact ND1-CD1 3.25Å; H221-F275 WeakPolarHBondContact ND1-CD1 3.33Å; H221-F275 AromaticContact ND1-CE1 3.07Å; H221-F275 WeakPolarHBondContact ND1-CE1 3.43Å; H221-F275 AromaticContact NE2-CD1 3.7Å; T271-F275 PolarHBondContact N-O 3.49Å; T271-F275 VanDerWaalsContact OG1-CB 3.27Å; T271-F275 WeakPolarHBondContact OG1-CB 3.41Å; T271-F275 PolarHBondContact OG1-O 2.72Å; E272-F275 HydrophobicContact CG-CD2 3.8Å; E272-F275 CarbonylContact O-C 3.56Å; E272-F275 WeakPolarHBondContact O-CA 3.16Å; E272-F275 WeakPolarHBondContact O-CB 3.46Å; E272-F275 PolarHBondContact O-N 3.2Å; E272-F275 VanDerWaalsContact O-O 3.04Å
276N92.9Very high91.4Very high4 Ų442 Ų422%0.02120%0.197CC..  trans-98.822.1-17866.2-5.9000113.9K166 C252 P254 R266 P274 V278K166-N276 WeakPolarHBondContact CE-OD1 3.3Å; K166-N276 PolarHBondContact NZ-OD1 3.44Å; C252-N276 WeakPolarHBondContact O-CB 3.39Å; C252-N276 PolarHBondContact O-ND2 3.01Å; P254-N276 HydrophobicContact CG-CB 3.79Å; R266-N276 HydrophobicContact CG-CB 4.29Å; R266-N276 WeakPolarHBondContact CG-O 3.26Å; R266-N276 PolarHBondContact NE-ND2 3.42Å; P274-N276 VanDerWaalsContact C-N 3.32Å; P274-N276 PolarHBondContact O-N 3.03Å; P274-N276 VanDerWaalsContact O-N 3.07Å; P274-N276 PolarHBondContact O-OD1 2.7Å; N276-V278 PolarHBondContact O-N 2.91Å; N276-V278 PolarHBondContact OD1-O 3.37Å
277A94.7Very high91Very high0 Ų040.9 Ų40.90%019%0.192CC..SBendtrans62.6-40.6177.600000117.7K166 D168 A169K166-A277 WeakPolarHBondContact CB-O 3.37Å; K166-A277 PolarHBondContact N-O 2.91Å; D168-A277 WeakPolarHBondContact OD2-CA 3.43Å; D168-A277 PolarHBondContact OD2-N 3.27Å; A169-A277 HydrophobicContact CB-CB 3.81Å
278V96.7Very high90.5Very high0 Ų043.3 Ų43.30%020%0.204CC..EExtended strand (participates in β ladder)trans-135.3143.1-173.8-630000113.4I164 I178 W245 M249 L265 R266 N276I164-V278 CarbonylContact O-C 3.42Å; I164-V278 VanDerWaalsContact O-CA 3.26Å; I164-V278 WeakPolarHBondContact O-CA 3.39Å; I178-V278 HydrophobicContact CD1-CG1 4.36Å; I178-V278 HydrophobicContact CG2-CG1 4.15Å; W245-V278 HydrophobicContact CZ2-CB 4.35Å; M249-V278 HydrophobicContact CB-CG2 4.3Å; M249-V278 HydrophobicContact CG-CG2 3.79Å; M249-V278 HydrophobicContact SD-CB 4.49Å; M249-V278 HydrophobicContact SD-CG2 4.04Å; L265-V278 HydrophobicContact CB-CG2 3.96Å; L265-V278 HydrophobicContact CD1-CG1 4.48Å; L265-V278 HydrophobicContact CD1-CG2 4.44Å; R266-V278 HydrophobicContact CG-CG2 3.89Å; R266-V278 PolarHBondContact NE-O 3.21Å; R266-V278 PolarHBondContact NH2-O 3.41Å; N276-V278 PolarHBondContact O-N 2.91Å; N276-V278 PolarHBondContact OD1-O 3.37Å
279H95.7Very high90.1Very high21 Ų2145.3 Ų45.310%0.09721%0.209CC..EExtended strand (participates in β ladder)trans-115.7151.7171.9179.690.5000110.8A163 I164 F205 Y206 W245 M249 E290A163-H279 WeakPolarHBondContact CA-O 3.29Å; I164-H279 HydrophobicContact CB-CB 4.03Å; I164-H279 HydrophobicContact CD1-CB 4.36Å; I164-H279 HydrophobicContact CG1-CB 4.37Å; I164-H279 PolarHBondContact N-O 3.09Å; I164-H279 PolarHBondContact O-N 2.91Å; F205-H279 AromaticContact CE1-CE1 3.68Å; F205-H279 AromaticContact CE1-NE2 3.5Å; F205-H279 AromaticContact CZ-CD2 3.8Å; F205-H279 AromaticContact CZ-NE2 3.39Å; F205-H279 WeakPolarHBondContact CZ-NE2 3.48Å; Y206-H279 AromaticContact CE1-CE1 3.87Å; Y206-H279 AromaticContact CE1-ND1 3.92Å; Y206-H279 PolarHBondContact OH-ND1 2.75Å; W245-H279 PolarHBondContact NE1-O 3.02Å; M249-H279 VanDerWaalsContact SD-C 3.53Å; H279-E290 IonicContact NE2-OE1 3.55Å; H279-E290 IonicContact NE2-OE2 2.72Å
280G93.1Very high89.9Confident7 Ų744.4 Ų44.47%0.07221%0.206CC..EExtended strand (participates in β ladder)trans-157.4155.7167.300000110.4L162 W245 M249L162-G280 WeakPolarHBondContact O-CA 3.19Å; W245-G280 VanDerWaalsContact NE1-CA 3.3Å; M249-G280 PolarHBondContact SD-N 3.35Å
281S91.2Very high89.6Confident0 Ų044.3 Ų44.30%020%0.204CC..  trans-59.4150.5-178.2-44.90000111.6V242 A287 E290V242-S281 VanDerWaalsContact CG1-O 3.23Å; V242-S281 WeakPolarHBondContact CG1-O 3.31Å; S281-A287 WeakPolarHBondContact OG-CA 3.44Å; S281-E290 WeakPolarHBondContact CA-OE2 3.35Å; S281-E290 WeakPolarHBondContact CB-OE2 3.45Å; S281-E290 PolarHBondContact OG-OE2 3.1Å
282R85.1Confident89.4Confident116 Ų11644.1 Ų44.144%0.43821%0.209SC..SBendtrans-81.1-39.6-177.6-63.9178.5-681738.3111.6H208 R246 D286H208-R282 PolarHBondContact CD2-NH1 3.4Å; R246-R282 WeakPolarHBondContact CD-O 3.47Å; R246-R282 PolarHBondContact NH1-O 3.46Å; R282-D286 WeakPolarHBondContact CB-OD2 3.29Å; R282-D286 IonicContact CZ-OD2 3.29Å; R282-D286 IonicContact NE-OD2 3.53Å; R282-D286 PolarHBondContact NE-OD2 3.41Å; R282-D286 IonicContact NH2-OD1 2.83Å; R282-D286 PolarHBondContact NH2-OD1 3.02Å; R282-D286 IonicContact NH2-OD2 3.39Å; R282-D286 PolarHBondContact NH2-OD2 2.78Å
283D86.6Confident89.3Confident64 Ų6442.5 Ų42.534%0.34220%0.203SC..SBendtrans-146.9-176.9-178.54646.3000108.9D286 A287D283-D286 WeakPolarHBondContact OD1-CB 3.29Å; D283-D286 VanDerWaalsContact OD1-CG 3.25Å; D283-D286 PolarHBondContact OD1-N 3.37Å; D283-A287 PolarHBondContact O-N 2.92Å
284R86.9Confident89.2Confident115 Ų11539.6 Ų39.643%0.43419%0.189SC..Hα-helixtrans-68.4-41.6-177-177.5-172.2-103.7-126.312.5111D286 A287 D288R284-D286 VanDerWaalsContact C-N 3.31Å; R284-D286 PolarHBondContact O-N 3.17Å; R284-A287 WeakPolarHBondContact O-CA 3.28Å; R284-A287 WeakPolarHBondContact O-CB 2.91Å; R284-A287 PolarHBondContact O-N 2.88Å; R284-D288 VanDerWaalsContact O-CG 3.31Å; R284-D288 PolarHBondContact O-N 3.04Å
285E84.9Confident89.2Confident130 Ų13039.8 Ų39.861%0.60719%0.19SC*.Hα-helixtrans-62.8-39.9179.7-62.778-175.300111.5R289E285-R289 WeakPolarHBondContact O-CB 3.31Å; E285-R289 PolarHBondContact O-N 3.27Å; E285-R289 VanDerWaalsContact O-N 3.15Å
286D85.9Confident88.5Confident7 Ų742.7 Ų42.74%0.03721%0.214CC..Hα-helixtrans-63.9-43.6170.2-82.5-6.8000111.7R282 D283 R284 D288 R289 E290R282-D286 WeakPolarHBondContact CB-OD2 3.29Å; R282-D286 IonicContact CZ-OD2 3.29Å; R282-D286 IonicContact NE-OD2 3.53Å; R282-D286 PolarHBondContact NE-OD2 3.41Å; R282-D286 IonicContact NH2-OD1 2.83Å; R282-D286 PolarHBondContact NH2-OD1 3.02Å; R282-D286 IonicContact NH2-OD2 3.39Å; R282-D286 PolarHBondContact NH2-OD2 2.78Å; D283-D286 WeakPolarHBondContact OD1-CB 3.29Å; D283-D286 VanDerWaalsContact OD1-CG 3.25Å; D283-D286 PolarHBondContact OD1-N 3.37Å; R284-D286 VanDerWaalsContact C-N 3.31Å; R284-D286 PolarHBondContact O-N 3.17Å; D286-D288 PolarHBondContact O-N 3.33Å; D286-R289 VanDerWaalsContact CG-NH2 3.25Å; D286-R289 PolarHBondContact O-N 2.99Å; D286-R289 IonicContact OD1-CZ 3.18Å; D286-R289 IonicContact OD1-NH1 3.18Å; D286-R289 PolarHBondContact OD1-NH1 2.94Å; D286-R289 IonicContact OD1-NH2 3.81Å; D286-R289 PolarHBondContact OD1-NH2 3.45Å; D286-R289 IonicContact OD2-NH2 3.01Å; D286-E290 WeakPolarHBondContact O-CB 3.43Å; D286-E290 WeakPolarHBondContact O-CG 3.31Å; D286-E290 PolarHBondContact O-N 2.72Å
287A88.9Confident87.2Confident0 Ų047.5 Ų47.50%025%0.248CC..Hα-helixtrans-59.6-47.5178.800000111.6V242 S281 D283 R284 R289 E290 L291V242-A287 HydrophobicContact CG2-CB 4.2Å; S281-A287 WeakPolarHBondContact OG-CA 3.44Å; D283-A287 PolarHBondContact O-N 2.92Å; R284-A287 WeakPolarHBondContact O-CA 3.28Å; R284-A287 WeakPolarHBondContact O-CB 2.91Å; R284-A287 PolarHBondContact O-N 2.88Å; A287-R289 PolarHBondContact O-N 2.61Å; A287-E290 PolarHBondContact O-N 2.97Å; A287-L291 VanDerWaalsContact O-CB 3.25Å; A287-L291 WeakPolarHBondContact O-CB 3.46Å; A287-L291 WeakPolarHBondContact O-CD1 3.31Å; A287-L291 WeakPolarHBondContact O-CG 3.32Å; A287-L291 PolarHBondContact O-N 2.76Å
288D86.4Confident85.7Confident58 Ų5850.4 Ų50.431%0.3126%0.263SS..Hα-helixtrans-62.9-45.4-179.5-63.7-26.3000111.1R284 D286 A292R284-D288 VanDerWaalsContact O-CG 3.31Å; R284-D288 PolarHBondContact O-N 3.04Å; D286-D288 PolarHBondContact O-N 3.33Å; D288-A292 VanDerWaalsContact O-CB 3.29Å; D288-A292 WeakPolarHBondContact O-CB 3.32Å; D288-A292 PolarHBondContact O-N 3.06Å
289R86.7Confident83.4Confident111 Ų11160 Ų6042%0.41931%0.305SS..Hα-helixtrans-62.6-45.5176.5-176.6-170.664.6-111.6-3.4112.2E285 D286 A287 A292 L293E285-R289 WeakPolarHBondContact O-CB 3.31Å; E285-R289 PolarHBondContact O-N 3.27Å; E285-R289 VanDerWaalsContact O-N 3.15Å; D286-R289 VanDerWaalsContact CG-NH2 3.25Å; D286-R289 PolarHBondContact O-N 2.99Å; D286-R289 IonicContact OD1-CZ 3.18Å; D286-R289 IonicContact OD1-NH1 3.18Å; D286-R289 PolarHBondContact OD1-NH1 2.94Å; D286-R289 IonicContact OD1-NH2 3.81Å; D286-R289 PolarHBondContact OD1-NH2 3.45Å; D286-R289 IonicContact OD2-NH2 3.01Å; A287-R289 PolarHBondContact O-N 2.61Å; R289-A292 PolarHBondContact O-N 3.1Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 PolarHBondContact O-N 3.18Å
290E91.2Very high81.2Confident4 Ų462.2 Ų62.22%0.01931%0.314CS..Hα-helixtrans-67.6-40.7-177.9-74.2172.9-175.200111.7L162 F205 H279 S281 D286 A287 L293 L294L162-E290 HydrophobicContact CB-CB 4.48Å; L162-E290 HydrophobicContact CD2-CB 3.72Å; F205-E290 HydrophobicContact CD2-CB 4.5Å; F205-E290 HydrophobicContact CD2-CG 4.17Å; F205-E290 HydrophobicContact CE2-CB 3.68Å; F205-E290 HydrophobicContact CE2-CG 3.45Å; F205-E290 VanDerWaalsContact CE2-CG 3.45Å; F205-E290 HydrophobicContact CZ-CB 4.24Å; F205-E290 HydrophobicContact CZ-CG 3.68Å; H279-E290 IonicContact NE2-OE1 3.55Å; H279-E290 IonicContact NE2-OE2 2.72Å; S281-E290 WeakPolarHBondContact CA-OE2 3.35Å; S281-E290 WeakPolarHBondContact CB-OE2 3.45Å; S281-E290 PolarHBondContact OG-OE2 3.1Å; D286-E290 WeakPolarHBondContact O-CB 3.43Å; D286-E290 WeakPolarHBondContact O-CG 3.31Å; D286-E290 PolarHBondContact O-N 2.72Å; A287-E290 PolarHBondContact O-N 2.97Å; E290-L293 PolarHBondContact O-N 3.27Å; E290-L294 PolarHBondContact O-N 3.48Å
291L89.3Confident78.6Confident2 Ų267.6 Ų67.61%0.0135%0.35CS..Hα-helixtrans-64.6-45.9173.6-72.2168.6000111.1C160 L162 I231 A287 L293 L294 F295 F300C160-L291 HydrophobicContact CB-CD1 4.38Å; L162-L291 HydrophobicContact CB-CD2 4.03Å; L162-L291 HydrophobicContact CB-CG 4.24Å; L162-L291 HydrophobicContact CD1-CD2 4.2Å; I231-L291 HydrophobicContact CD1-CD2 4.05Å; I231-L291 HydrophobicContact CG1-CD2 3.8Å; I231-L291 HydrophobicContact CG2-CD2 4.32Å; A287-L291 VanDerWaalsContact O-CB 3.25Å; A287-L291 WeakPolarHBondContact O-CB 3.46Å; A287-L291 WeakPolarHBondContact O-CD1 3.31Å; A287-L291 WeakPolarHBondContact O-CG 3.32Å; A287-L291 PolarHBondContact O-N 2.76Å; L291-L293 VanDerWaalsContact C-N 3.26Å; L291-L293 PolarHBondContact O-N 2.8Å; L291-L294 PolarHBondContact O-N 3.24Å; L291-F295 HydrophobicContact CD2-CD2 4.04Å; L291-F295 HydrophobicContact CD2-CE2 4.43Å; L291-F295 CarbonylContact O-C 3.51Å; L291-F295 VanDerWaalsContact O-CA 3.29Å; L291-F295 WeakPolarHBondContact O-CA 3.44Å; L291-F295 WeakPolarHBondContact O-CB 3.36Å; L291-F295 PolarHBondContact O-N 3.18Å; L291-F300 HydrophobicContact CB-CE2 4.11Å; L291-F300 HydrophobicContact CD1-CE2 3.88Å; L291-F300 HydrophobicContact CD1-CZ 3.86Å; L291-F300 HydrophobicContact CG-CE2 4.5Å
292A86.4Confident76Confident65 Ų6574 Ų7454%0.53739%0.385SS..Hα-helixtrans-61.3-35.2177.100000112.7D288 R289D288-A292 VanDerWaalsContact O-CB 3.29Å; D288-A292 WeakPolarHBondContact O-CB 3.32Å; D288-A292 PolarHBondContact O-N 3.06Å; R289-A292 PolarHBondContact O-N 3.1Å
293L86.7Confident73.6Confident63 Ų6375.7 Ų75.733%0.3340%0.395SS..Hα-helixtrans-71.8-44.7178.7-178.364.6000112.5L204 F205 R289 E290 L291L204-L293 HydrophobicContact CB-CD2 4.19Å; F205-L293 HydrophobicContact CB-CD2 3.91Å; F205-L293 HydrophobicContact CD2-CD2 4.14Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 PolarHBondContact O-N 3.18Å; E290-L293 PolarHBondContact O-N 3.27Å; L291-L293 VanDerWaalsContact C-N 3.26Å; L291-L293 PolarHBondContact O-N 2.8Å
294L87.1Confident71.1Confident9 Ų978.8 Ų78.85%0.04741%0.412CS..Hα-helixtrans-93.3-20.7-172.9-65.2172.7000113.4L162 I164 R195 M197 M202 F205 L229 E290 L291L162-L294 HydrophobicContact CD1-CD1 4.41Å; L162-L294 HydrophobicContact CD2-CD1 3.59Å; I164-L294 HydrophobicContact CD1-CD1 4.31Å; R195-L294 VanDerWaalsContact NH2-CD2 3.29Å; M197-L294 HydrophobicContact SD-CD2 4.01Å; M202-L294 HydrophobicContact CE-CD2 4.01Å; F205-L294 HydrophobicContact CD2-CD1 3.67Å; F205-L294 HydrophobicContact CD2-CG 4.14Å; F205-L294 HydrophobicContact CE2-CD1 3.44Å; F205-L294 VanDerWaalsContact CE2-CD1 3.44Å; F205-L294 HydrophobicContact CE2-CG 4.31Å; F205-L294 HydrophobicContact CZ-CD1 4.46Å; L229-L294 HydrophobicContact CD2-CB 3.89Å; L229-L294 HydrophobicContact CD2-CD1 3.75Å; L229-L294 HydrophobicContact CD2-CD2 4.28Å; L229-L294 HydrophobicContact CD2-CG 4.19Å; E290-L294 PolarHBondContact O-N 3.48Å; L291-L294 PolarHBondContact O-N 3.24Å
295F85.3Confident68.3Low7 Ų780 Ų803%0.03143%0.432CS..  trans-134.466.2-178.8-63-79.9000112L162 T191 E193 L229 I231 L291 S297 L298L162-F295 HydrophobicContact CD1-CD2 4.41Å; L162-F295 HydrophobicContact CD1-CE2 3.74Å; T191-F295 HydrophobicContact CG2-CE1 3.88Å; T191-F295 HydrophobicContact CG2-CZ 4.37Å; E193-F295 HydrophobicContact CB-CE1 4.35Å; L229-F295 HydrophobicContact CB-CE1 4.5Å; L229-F295 HydrophobicContact CB-CE2 3.96Å; L229-F295 HydrophobicContact CB-CZ 3.49Å; L229-F295 VanDerWaalsContact CB-CZ 3.49Å; L229-F295 HydrophobicContact CD2-CE2 4.17Å; L229-F295 HydrophobicContact CD2-CZ 4.2Å; L229-F295 HydrophobicContact CG-CZ 4.49Å; I231-F295 HydrophobicContact CD1-CD1 4.23Å; I231-F295 HydrophobicContact CD1-CD2 3.91Å; I231-F295 HydrophobicContact CD1-CE1 4.33Å; I231-F295 HydrophobicContact CD1-CE2 4Å; I231-F295 HydrophobicContact CD1-CG 4.01Å; I231-F295 HydrophobicContact CD1-CZ 4.19Å; I231-F295 HydrophobicContact CG1-CD2 4.14Å; I231-F295 HydrophobicContact CG1-CE2 3.78Å; I231-F295 HydrophobicContact CG1-CZ 4.03Å; L291-F295 HydrophobicContact CD2-CD2 4.04Å; L291-F295 HydrophobicContact CD2-CE2 4.43Å; L291-F295 CarbonylContact O-C 3.51Å; L291-F295 VanDerWaalsContact O-CA 3.29Å; L291-F295 WeakPolarHBondContact O-CA 3.44Å; L291-F295 WeakPolarHBondContact O-CB 3.36Å; L291-F295 PolarHBondContact O-N 3.18Å; F295-S297 PolarHBondContact O-N 2.79Å; F295-L298 HydrophobicContact CB-CB 4.3Å; F295-L298 HydrophobicContact CB-CD1 3.41Å; F295-L298 VanDerWaalsContact CB-CD1 3.41Å; F295-L298 HydrophobicContact CB-CG 4.47Å; F295-L298 HydrophobicContact CD1-CD1 3.85Å; F295-L298 HydrophobicContact CG-CD1 3.76Å; F295-L298 PolarHBondContact O-N 3.49Å
296P75.8Confident65.8Low114 Ų11482.6 Ų82.674%0.7444%0.444SS*.THydrogen-bonded Turntrans-64.7-14.6-176.225.9-35.1000114.3
297S67.6Low63.2Low105 Ų10585.7 Ų85.773%0.73447%0.471SS*.THydrogen-bonded Turntrans-84.3-11.8175.751.90000113.8F295 K299F295-S297 PolarHBondContact O-N 2.79Å; S297-K299 PolarHBondContact O-N 2.84Å
298L62.2Low60.6Low60 Ų6091.8 Ų91.831%0.31451%0.511SS..  trans-81113.3176-93121.3000110.5I231 F295 F300I231-L298 HydrophobicContact CD1-CD1 3.19Å; I231-L298 HydrophobicContact CD1-CD2 3.8Å; I231-L298 HydrophobicContact CD1-CG 4.12Å; F295-L298 HydrophobicContact CB-CB 4.3Å; F295-L298 HydrophobicContact CB-CD1 3.41Å; F295-L298 VanDerWaalsContact CB-CD1 3.41Å; F295-L298 HydrophobicContact CB-CG 4.47Å; F295-L298 HydrophobicContact CD1-CD1 3.85Å; F295-L298 HydrophobicContact CG-CD1 3.76Å; F295-L298 PolarHBondContact O-N 3.49Å; L298-F300 HydrophobicContact CB-CE2 4.02Å; L298-F300 HydrophobicContact CD2-CE2 4.24Å; L298-F300 HydrophobicContact CD2-CZ 3.97Å; L298-F300 PolarHBondContact O-N 2.89Å
299K48.9Very low58.1Low202 Ų20298 Ų9888%0.87854%0.538SS*.  trans-89.5102.6173.1-63.6-176.4-178.3177.70109S297S297-K299 PolarHBondContact O-N 2.84Å
300F49.1Very low55.4Low68 Ų6896.6 Ų96.630%0.29856%0.558SS.*  trans-81.9135.9161.5-66-78.3000108.3C160 L291 L298 D302C160-F300 HydrophobicContact CB-CE1 3.79Å; C160-F300 HydrophobicContact CB-CZ 4.04Å; L291-F300 HydrophobicContact CB-CE2 4.11Å; L291-F300 HydrophobicContact CD1-CE2 3.88Å; L291-F300 HydrophobicContact CD1-CZ 3.86Å; L291-F300 HydrophobicContact CG-CE2 4.5Å; L298-F300 HydrophobicContact CB-CE2 4.02Å; L298-F300 HydrophobicContact CD2-CE2 4.24Å; L298-F300 HydrophobicContact CD2-CZ 3.97Å; L298-F300 PolarHBondContact O-N 2.89Å; F300-D302 VanDerWaalsContact C-N 3.33Å; F300-D302 PolarHBondContact O-N 3.48Å
301S38.8Very low52.5Low119 Ų119100.2 Ų100.283%0.83260%0.597SS**  trans-7589.5173.21680000108.1
302D35.7Very low49.7Very low136 Ų136109.6 Ų109.673%0.72764%0.64SS**  trans-67.8133.6174.3-74.2-29.5000110.8F300F300-D302 VanDerWaalsContact C-N 3.33Å; F300-D302 PolarHBondContact O-N 3.48Å
303K35.4Very low47Very low150 Ų150111.1 Ų111.165%0.65265%0.653SS**  trans-105.6134.3165.3-99.1-168.9175-174.30111.5
304D32.9Very low44.4Very low130 Ų130117.2 Ų117.270%0.69568%0.68SS**  trans71.375.6148.2-52.3-29.8000118.5
305T29.6Very low41.8Very low140 Ų140121.2 Ų121.286%0.85971%0.714SS**  trans-87.188.2141.2-56.90000108.5A307T305-A307 VanDerWaalsContact C-N 3.34Å; T305-A307 PolarHBondContact O-N 3.16Å
306E31.7Very low39.2Very low184 Ų184127.9 Ų127.986%0.8676%0.756SS**  trans-7096158.6-84.5-170.1145.900108.4
307A30.6Very low37.1Very low73 Ų73131.7 Ų131.760%0.60376%0.764SS**  trans-75.2124.8157.800000108.2T305 Q309T305-A307 VanDerWaalsContact C-N 3.34Å; T305-A307 PolarHBondContact O-N 3.16Å; A307-Q309 PolarHBondContact O-N 3.42Å
308P34.3Very low35.2Very low128 Ų128130.2 Ų130.283%0.83177%0.765SS**  trans-73.7105.8171.328.2-29000108.5
309Q34.2Very low34.1Very low188 Ų188133.2 Ų133.288%0.87979%0.788SS**  trans-69.2133.4166.5-75.2-177.5-1.300109.6A307A307-Q309 PolarHBondContact O-N 3.42Å
310G30.8Very low33.5Very low82 Ų82129.9 Ų129.985%0.84578%0.784SS**  trans-62.7148177.500000113.3
311G29.2Very low32.7Very low80 Ų80136 Ų13683%0.82581%0.814SS**  trans-114.5120.5160.300000109
312E31.3Very low32.5Very low199 Ų199134.3 Ų134.393%0.9381%0.807SS**  trans-82165.2165.3-75.3-175.114200111.6
313A30.9Very low32.3Very low97 Ų97135.5 Ų135.580%0.80281%0.813SS**  trans88.1129.7176.400000114.4
314E30.7Very low32Very low190 Ų190133.9 Ų133.989%0.88882%0.819SS**  cis-163.3153.432.7-150.1168.8179.600110.7
315A32.5Very low32.2Very low94 Ų94136.8 Ų136.878%0.77783%0.825SS**  trans-71.5140.8-178.700000113.2
316T30.3Very low32.7Very low146 Ų146136.1 Ų136.190%0.89682%0.824SS**  trans-146.8146.3149410000110.9
317E31.9Very low33.1Very low195 Ų195135.1 Ų135.191%0.91182%0.819SS**  trans-67.6164.2-166.5-62.1170.2134.500115
318G28.6Very low33.5Very low73 Ų73138.4 Ų138.475%0.75383%0.827SS**  trans-66.3-163-173.900000117
319P39.3Very low33.8Very low123 Ų123137.8 Ų137.880%0.79982%0.82SS**  -141.9164.853.337.7-17.6000116.9
320T35.3Very low34.2Very low132 Ų132139.8 Ų139.881%0.8184%0.837SS**  trans-2130154.348.50000119.8
321E32.9Very low34.4Very low198 Ų198142.7 Ų142.793%0.92584%0.836SS**  trans-152.1133.8131.3-121.7178.8153.300111.3
322A33.5Very low34.7Very low83 Ų83145.9 Ų145.969%0.68684%0.837SS**  trans-73.3162177.900000111.2
323L31.9Very low34.9Very low161 Ų161143 Ų14384%0.84383%0.832SS**  171.9122.6118.9-87.4160.3000112.7
324C30.4Very low35.1Very low115 Ų115145.7 Ų145.778%0.77783%0.833SS**  trans46.1114.4142.3-750000122.2
325F36.9Very low35.4Very low191 Ų191142.9 Ų142.984%0.83883%0.83SS**  trans-53.3161.1139.4-66.7-91.6000112
326P39.6Very low35.6Very low126 Ų126146.2 Ų146.282%0.81883%0.833SS**  -124.5124.2123.628.3-16.3000111.2
327E39.6Very low35.9Very low163 Ų163146.2 Ų146.276%0.76283%0.829SS**  trans-67.8152.8147.5-69.1177.7115.500109.2
328D39Very low36.3Very low143 Ų143142.5 Ų142.577%0.76582%0.823SS**  trans140.2113.2134-79.2-27000113.5
329V42.2Very low36.9Very low114 Ų114148.3 Ų148.369%0.69183%0.829SS**  102.6127.7103.2169.50000108.6
330D42.3Very low36.7Very low230 Ų230150.5 Ų150.5100%1.2383%0.831SS**  cis-135.1021.6-93.9-58.5000110.6

Retrieved 330 of 330 residues in 2392.9 ms (Link to these results)

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