A0A087XN76_POEFO Loading...

Interleukin-1 receptor-associated kinase 4

Serine/threonine-protein kinase that plays a critical role in initiating innate immune response against foreign pathogens.

AlphaFold DB , UniProt , Accession A0A087XN76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 471 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
1M30.5Very low72.4Confident244 Ų24485.6 Ų85.6100%1.20252%0.522SS*.  0106.20-70.7-179.117700107.3S3M1-S3 PolarHBondContact O-N 3.44Å
2S39.8Very low73.8Confident123 Ų12387.3 Ų87.386%0.8651%0.512SS*.  trans-70.7123.1-178.871.80000109.3S4S2-S4 PolarHBondContact O-N 3.26Å; S2-S4 VanDerWaalsContact O-N 3.12Å
3S49.5Very low74.8Confident110 Ų11088.8 Ų88.877%0.76952%0.516SS*.  trans-62112.9169.551.10000107.9M1 L5M1-S3 PolarHBondContact O-N 3.44Å; S3-L5 PolarHBondContact O-N 2.8Å
4S69.6Low75.7Confident101 Ų10182.6 Ų82.671%0.70648%0.48SS*.  trans-56.3122.2172.824.20000109.4S2 T6S2-S4 PolarHBondContact O-N 3.26Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S4-T6 PolarHBondContact O-N 3.2Å
5L80.1Confident76.5Confident50 Ų5081.9 Ų81.926%0.26248%0.482SS..  trans-63.5133.1175.2-79155.5000109.3S3 I14 L18 V81S3-L5 PolarHBondContact O-N 2.8Å; L5-I14 HydrophobicContact CD2-CG1 4.32Å; L5-L18 HydrophobicContact CD1-CD2 3.13Å; L5-V81 HydrophobicContact CD2-CG2 4.12Å
6T85.9Confident77Confident72 Ų7285.8 Ų85.844%0.44249%0.487SS..  trans-119164175.766.20000109S4 A8 S9S4-T6 PolarHBondContact O-N 3.2Å; T6-A8 PolarHBondContact O-N 3.37Å; T6-A8 VanDerWaalsContact O-N 3.15Å; T6-S9 PolarHBondContact N-OG 3.14Å; T6-S9 VanDerWaalsContact N-OG 3.15Å; T6-S9 VanDerWaalsContact O-CB 3.27Å; T6-S9 WeakPolarHBondContact O-CB 3.31Å; T6-S9 PolarHBondContact O-N 2.75Å; T6-S9 PolarHBondContact O-OG 3.44Å; T6-S9 PolarHBondContact OG1-OG 3.4Å
7S85.7Confident77.4Confident57 Ų5783.2 Ų83.240%0.39948%0.484SS..THydrogen-bonded Turntrans-58.4-26.4175.655.60000113.1T80 G82S7-T80 WeakPolarHBondContact O-CB 3.49Å; S7-T80 PolarHBondContact O-OG1 3.39Å; S7-G82 PolarHBondContact O-N 2.87Å
8A85.6Confident77.9Confident69 Ų6979.8 Ų79.857%0.5746%0.464SS*.THydrogen-bonded Turntrans-82.3-10.1176.800000114.3T6T6-A8 PolarHBondContact O-N 3.37Å; T6-A8 VanDerWaalsContact O-N 3.15Å
9S89.2Confident78.6Confident26 Ų2677.1 Ų77.118%0.18245%0.445CS..SBendtrans-63.9139.2177.2-64.40000110.4T6 T80 V81T6-S9 PolarHBondContact N-OG 3.14Å; T6-S9 VanDerWaalsContact N-OG 3.15Å; T6-S9 VanDerWaalsContact O-CB 3.27Å; T6-S9 WeakPolarHBondContact O-CB 3.31Å; T6-S9 PolarHBondContact O-N 2.75Å; T6-S9 PolarHBondContact O-OG 3.44Å; T6-S9 PolarHBondContact OG1-OG 3.4Å; S9-T80 CarbonylContact O-C 3.5Å; S9-T80 VanDerWaalsContact O-CA 3.3Å; S9-T80 WeakPolarHBondContact O-CA 3.48Å; S9-V81 WeakPolarHBondContact O-CG2 2.93Å; S9-V81 PolarHBondContact O-N 3.23Å
10Y90.8Very high79.2Confident90 Ų9079.8 Ų79.835%0.35345%0.447SS..BIsolated β-bridgetrans-72.9146.2175.3-66.1-68.2000111.5R12 N13 N78 C79 T80Y10-R12 PolarHBondContact O-N 3.43Å; Y10-N13 WeakPolarHBondContact O-CB 3.21Å; Y10-N13 PolarHBondContact O-N 3.39Å; Y10-N78 HydrophobicContact CD1-CB 4.47Å; Y10-N78 HydrophobicContact CE1-CB 3.86Å; Y10-C79 WeakPolarHBondContact CA-O 3.14Å; Y10-T80 HydrophobicContact CD1-CG2 4.48Å
11I89.9Confident79.6Confident0 Ų080.6 Ų80.60%045%0.447CS..G310 helixtrans-56.6-37.1177.5-65.9-173.4000111.5N13 I14 R19 L71 W74 C79 T80 L84I11-N13 PolarHBondContact O-N 3.03Å; I11-N13 VanDerWaalsContact O-N 3.1Å; I11-I14 HydrophobicContact CB-CD1 4.33Å; I11-I14 HydrophobicContact CG1-CD1 4.5Å; I11-I14 HydrophobicContact CG2-CD1 4.05Å; I11-I14 VanDerWaalsContact O-CB 3.32Å; I11-I14 WeakPolarHBondContact O-CB 3.44Å; I11-I14 VanDerWaalsContact O-CG1 3.29Å; I11-I14 WeakPolarHBondContact O-CG1 3.27Å; I11-I14 PolarHBondContact O-N 3.43Å; I11-R19 PolarHBondContact O-NH2 3.36Å; I11-L71 HydrophobicContact CG2-CB 4.24Å; I11-L71 HydrophobicContact CG2-CD2 3.98Å; I11-W74 HydrophobicContact CD1-CD2 3.74Å; I11-W74 HydrophobicContact CD1-CE3 3.35Å; I11-W74 HydrophobicContact CD1-CH2 3.74Å; I11-W74 HydrophobicContact CD1-CZ2 4.1Å; I11-W74 HydrophobicContact CD1-CZ3 3.37Å; I11-C79 HydrophobicContact CD1-CB 4.11Å; I11-C79 VanDerWaalsContact CD1-SG 3.56Å; I11-C79 HydrophobicContact CG1-CB 4.49Å; I11-C79 PolarHBondContact N-O 3.26Å; I11-T80 WeakPolarHBondContact CG1-O 3.42Å; I11-L84 HydrophobicContact CD1-CB 3.9Å; I11-L84 HydrophobicContact CD1-CD2 4.32Å
12R88.6Confident82.4Confident106 Ų10669 Ų6940%0.439%0.39SS..G310 helixtrans-60.3-18.9175.557.1174.9172.3-125.2-7.9114.8Y10 R19 G75 N78Y10-R12 PolarHBondContact O-N 3.43Å; R12-R19 VanDerWaalsContact C-NH2 3.28Å; R12-R19 PolarHBondContact O-NH2 2.98Å; R12-G75 WeakPolarHBondContact CB-O 3.42Å; R12-N78 PolarHBondContact NH2-OD1 2.91Å
13N86.7Confident84.9Confident106 Ų10663.5 Ų63.557%0.56735%0.352SS*.G310 helixtrans-93.50.3178.9-63.2-4.6000112.6Y10 I11 S15Y10-N13 WeakPolarHBondContact O-CB 3.21Å; Y10-N13 PolarHBondContact O-N 3.39Å; I11-N13 PolarHBondContact O-N 3.03Å; I11-N13 VanDerWaalsContact O-N 3.1Å; N13-S15 PolarHBondContact O-N 3.16Å
14I87.9Confident86.7Confident3 Ų363.3 Ų63.32%0.01534%0.342CS..SBendtrans-68.4125.9171.5-61.6171.2000108L5 I11 L18 R19 V81 L84 L100L5-I14 HydrophobicContact CD2-CG1 4.32Å; I11-I14 HydrophobicContact CB-CD1 4.33Å; I11-I14 HydrophobicContact CG1-CD1 4.5Å; I11-I14 HydrophobicContact CG2-CD1 4.05Å; I11-I14 VanDerWaalsContact O-CB 3.32Å; I11-I14 WeakPolarHBondContact O-CB 3.44Å; I11-I14 VanDerWaalsContact O-CG1 3.29Å; I11-I14 WeakPolarHBondContact O-CG1 3.27Å; I11-I14 PolarHBondContact O-N 3.43Å; I14-L18 HydrophobicContact CG2-CB 3.81Å; I14-L18 HydrophobicContact CG2-CD2 3.94Å; I14-L18 HydrophobicContact CG2-CG 4.13Å; I14-R19 HydrophobicContact CB-CG 4.3Å; I14-R19 HydrophobicContact CG2-CG 3.75Å; I14-R19 PolarHBondContact O-NE 2.61Å; I14-R19 PolarHBondContact O-NH2 3.32Å; I14-V81 HydrophobicContact CD1-CG2 3.97Å; I14-V81 HydrophobicContact CG1-CG2 3.87Å; I14-L84 HydrophobicContact CD1-CD2 4.24Å; I14-L100 HydrophobicContact CD1-CD2 4.06Å
15S87.3Confident87.6Confident71 Ų7163.1 Ų63.150%0.49733%0.329SS..  trans-60.6150.2178.266.20000111.5N13 G17 L18 R19N13-S15 PolarHBondContact O-N 3.16Å; S15-G17 VanDerWaalsContact C-N 3.28Å; S15-G17 PolarHBondContact O-N 3.24Å; S15-L18 PolarHBondContact O-N 2.82Å; S15-L18 VanDerWaalsContact O-N 3.08Å; S15-L18 PolarHBondContact OG-N 3.44Å; S15-R19 PolarHBondContact O-N 3.48Å
16Y84.3Confident88.1Confident144 Ų14461 Ų6157%0.56532%0.318SS*.Hα-helixtrans-57.3-42.4179.8178.8-107.3000112.3L18 R19 R20 V68Y16-L18 VanDerWaalsContact C-N 3.28Å; Y16-L18 PolarHBondContact O-N 3.13Å; Y16-R19 WeakPolarHBondContact O-CB 3.24Å; Y16-R19 PolarHBondContact O-N 3.21Å; Y16-R20 PolarHBondContact O-N 2.73Å; Y16-V68 HydrophobicContact CE2-CG1 4.27Å
17G84.9Confident88.3Confident43 Ų4359.3 Ų59.344%0.44331%0.306SS..Hα-helixtrans-55.7-40.4175.300000113.2S15 R20 Q21S15-G17 VanDerWaalsContact C-N 3.28Å; S15-G17 PolarHBondContact O-N 3.24Å; G17-R20 PolarHBondContact O-N 2.99Å; G17-Q21 WeakPolarHBondContact O-CG 3.46Å; G17-Q21 PolarHBondContact O-N 3.2Å
18L86.2Confident88.3Confident22 Ų2260 Ų6012%0.11531%0.31CS..Hα-helixtrans-73.6-32.2177.5-163.268.8000112.4L5 I14 S15 Y16 R20 Q21 L22 L99 L100L5-L18 HydrophobicContact CD1-CD2 3.13Å; I14-L18 HydrophobicContact CG2-CB 3.81Å; I14-L18 HydrophobicContact CG2-CD2 3.94Å; I14-L18 HydrophobicContact CG2-CG 4.13Å; S15-L18 PolarHBondContact O-N 2.82Å; S15-L18 VanDerWaalsContact O-N 3.08Å; S15-L18 PolarHBondContact OG-N 3.44Å; Y16-L18 VanDerWaalsContact C-N 3.28Å; Y16-L18 PolarHBondContact O-N 3.13Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-Q21 PolarHBondContact O-N 3.18Å; L18-L22 WeakPolarHBondContact O-CG 3.24Å; L18-L22 PolarHBondContact O-N 3.03Å; L18-L99 HydrophobicContact CD1-CD2 3.39Å; L18-L99 HydrophobicContact CD1-CG 3.8Å; L18-L99 HydrophobicContact CG-CD2 3.89Å; L18-L100 HydrophobicContact CD2-CD2 3.9Å; L18-L100 HydrophobicContact CG-CD2 4.5Å
19R90.8Very high88.1Confident27 Ų2765.3 Ų65.310%0.10232%0.322CS..Hα-helixtrans-64.6-39.1171.9-61.9-177.3-161.6-1654.2111.6I11 R12 I14 S15 Y16 L22 S23 V68 L71 N72I11-R19 PolarHBondContact O-NH2 3.36Å; R12-R19 VanDerWaalsContact C-NH2 3.28Å; R12-R19 PolarHBondContact O-NH2 2.98Å; I14-R19 HydrophobicContact CB-CG 4.3Å; I14-R19 HydrophobicContact CG2-CG 3.75Å; I14-R19 PolarHBondContact O-NE 2.61Å; I14-R19 PolarHBondContact O-NH2 3.32Å; S15-R19 PolarHBondContact O-N 3.48Å; Y16-R19 WeakPolarHBondContact O-CB 3.24Å; Y16-R19 PolarHBondContact O-N 3.21Å; R19-L22 WeakPolarHBondContact O-CB 3.32Å; R19-L22 PolarHBondContact O-N 3.45Å; R19-S23 PolarHBondContact O-N 3.15Å; R19-V68 HydrophobicContact CB-CG2 4.29Å; R19-L71 HydrophobicContact CB-CD1 4.25Å; R19-L71 HydrophobicContact CG-CD1 4.05Å; R19-N72 PolarHBondContact NH1-OD1 3.04Å
20R90.1Very high88.1Confident132 Ų13267.1 Ų67.150%0.49833%0.33SS..Hα-helixtrans-65.4-43.8175.9-164.4176-168.6155.54.3111.6Y16 G17 L18 L22 S23 D24Y16-R20 PolarHBondContact O-N 2.73Å; G17-R20 PolarHBondContact O-N 2.99Å; L18-R20 VanDerWaalsContact C-N 3.34Å; R20-L22 VanDerWaalsContact C-N 3.31Å; R20-L22 PolarHBondContact O-N 3.31Å; R20-S23 VanDerWaalsContact CA-OG 3.32Å; R20-S23 WeakPolarHBondContact CA-OG 3.43Å; R20-S23 PolarHBondContact O-N 2.8Å; R20-S23 VanDerWaalsContact O-N 3.11Å; R20-S23 PolarHBondContact O-OG 2.8Å; R20-D24 PolarHBondContact O-N 3.44Å
21Q87.7Confident88.1Confident96 Ų9666.3 Ų66.345%0.44933%0.326SS..Hα-helixtrans-61.1-39.7173.4-72.8178.7-19.100112.1G17 L18 D24 F25 L99G17-Q21 WeakPolarHBondContact O-CG 3.46Å; G17-Q21 PolarHBondContact O-N 3.2Å; L18-Q21 PolarHBondContact O-N 3.18Å; Q21-D24 PolarHBondContact O-N 2.84Å; Q21-F25 WeakPolarHBondContact O-CD2 3.27Å; Q21-L99 HydrophobicContact CB-CD1 3.92Å; Q21-L99 HydrophobicContact CB-CD2 3.91Å
22L89.9Confident88.2Confident1 Ų166.4 Ų66.41%0.00533%0.327CS..Hα-helixtrans-62.8-40.2172.7-76.1169.8000112.5L18 R19 R20 D24 F25 L26 T67 L71 L84 A96 L99 L100L18-L22 WeakPolarHBondContact O-CG 3.24Å; L18-L22 PolarHBondContact O-N 3.03Å; R19-L22 WeakPolarHBondContact O-CB 3.32Å; R19-L22 PolarHBondContact O-N 3.45Å; R20-L22 VanDerWaalsContact C-N 3.31Å; R20-L22 PolarHBondContact O-N 3.31Å; L22-D24 VanDerWaalsContact C-N 3.27Å; L22-D24 PolarHBondContact O-N 3.33Å; L22-F25 PolarHBondContact O-N 3.15Å; L22-F25 VanDerWaalsContact O-N 3.13Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3.33Å; L22-L26 PolarHBondContact O-N 2.99Å; L22-L26 VanDerWaalsContact O-N 3.09Å; L22-T67 HydrophobicContact CB-CG2 4.33Å; L22-L71 HydrophobicContact CD1-CD1 3.81Å; L22-L84 HydrophobicContact CD1-CD2 4.46Å; L22-A96 HydrophobicContact CD2-CB 3.97Å; L22-L99 HydrophobicContact CD2-CD2 3.7Å; L22-L99 HydrophobicContact CG-CD2 3.62Å; L22-L100 HydrophobicContact CD1-CD1 4.13Å; L22-L100 HydrophobicContact CD1-CD2 3.89Å; L22-L100 HydrophobicContact CD1-CG 4.13Å; L22-L100 HydrophobicContact CD2-CD1 4.17Å; L22-L100 HydrophobicContact CD2-CG 4.14Å
23S91.8Very high88.4Confident8 Ų863.7 Ų63.76%0.05632%0.318CS..Hα-helixtrans-62.9-34176.7570000112.9R19 R20 F25 L26 D27 P28 S65R19-S23 PolarHBondContact O-N 3.15Å; R20-S23 VanDerWaalsContact CA-OG 3.32Å; R20-S23 WeakPolarHBondContact CA-OG 3.43Å; R20-S23 PolarHBondContact O-N 2.8Å; R20-S23 VanDerWaalsContact O-N 3.11Å; R20-S23 PolarHBondContact O-OG 2.8Å; S23-F25 PolarHBondContact O-N 3.04Å; S23-F25 VanDerWaalsContact O-N 3.15Å; S23-L26 PolarHBondContact O-N 3.16Å; S23-L26 VanDerWaalsContact O-N 3.14Å; S23-D27 WeakPolarHBondContact CB-OD2 3.37Å; S23-D27 VanDerWaalsContact O-CB 3.3Å; S23-D27 WeakPolarHBondContact O-CB 3.45Å; S23-D27 PolarHBondContact O-N 3.47Å; S23-P28 WeakPolarHBondContact O-CD 3.29Å; S23-S65 WeakPolarHBondContact CB-OG 3.49Å
24D88.7Confident88.6Confident106 Ų10660.8 Ų60.857%0.56730%0.302SS*.Hα-helixtrans-61.9-24.3176.1-61.9-26.6000112.5R20 Q21 L22 P28R20-D24 PolarHBondContact O-N 3.44Å; Q21-D24 PolarHBondContact O-N 2.84Å; L22-D24 VanDerWaalsContact C-N 3.27Å; L22-D24 PolarHBondContact O-N 3.33Å; D24-P28 WeakPolarHBondContact O-CD 3.31Å; D24-P28 VanDerWaalsContact O-CG 3.31Å; D24-P28 WeakPolarHBondContact O-CG 3.35Å
25F87.5Confident88.8Confident97 Ų9760.7 Ų60.743%0.42530%0.302SS..Hα-helixtrans-91.1-31.6174.1-69.1-77.7000113.8Q21 L22 S23 A95 A96 L99Q21-F25 WeakPolarHBondContact O-CD2 3.27Å; L22-F25 PolarHBondContact O-N 3.15Å; L22-F25 VanDerWaalsContact O-N 3.13Å; S23-F25 PolarHBondContact O-N 3.04Å; S23-F25 VanDerWaalsContact O-N 3.15Å; F25-A95 HydrophobicContact CD1-CB 3.98Å; F25-A95 HydrophobicContact CE1-CB 3.85Å; F25-A96 HydrophobicContact CB-CB 4.17Å; F25-L99 HydrophobicContact CE2-CD1 3.91Å
26L90.5Very high89Confident4 Ų457.3 Ų57.32%0.02128%0.278CS..Hα-helixtrans-104.4-27.6-165.6-65.3-179.2000114.1L22 S23 R31 W32 V35 T67 L88 L93 A96L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3.33Å; L22-L26 PolarHBondContact O-N 2.99Å; L22-L26 VanDerWaalsContact O-N 3.09Å; S23-L26 PolarHBondContact O-N 3.16Å; S23-L26 VanDerWaalsContact O-N 3.14Å; L26-R31 HydrophobicContact CD2-CB 4.31Å; L26-R31 CarbonylContact O-C 3.47Å; L26-R31 WeakPolarHBondContact O-CA 3.43Å; L26-R31 WeakPolarHBondContact O-CB 3.23Å; L26-R31 PolarHBondContact O-N 3.27Å; L26-W32 HydrophobicContact CB-CB 4.46Å; L26-W32 PolarHBondContact O-N 3.06Å; L26-V35 HydrophobicContact CD1-CG2 4.34Å; L26-V35 HydrophobicContact CD2-CG2 4.35Å; L26-T67 HydrophobicContact CB-CG2 4.04Å; L26-T67 WeakPolarHBondContact CB-OG1 3.47Å; L26-T67 HydrophobicContact CD1-CG2 3.74Å; L26-T67 HydrophobicContact CG-CG2 4.44Å; L26-L88 HydrophobicContact CD1-CD2 4.08Å; L26-L88 HydrophobicContact CD2-CD2 3.97Å; L26-L93 HydrophobicContact CD2-CD1 3.71Å; L26-L93 HydrophobicContact CD2-CD2 4.17Å; L26-L93 HydrophobicContact CD2-CG 4.38Å; L26-A96 HydrophobicContact CD2-CB 4.28Å; L26-A96 HydrophobicContact CG-CB 4.48Å
27D91.3Very high89.4Confident38 Ų3853 Ų5320%0.20327%0.266CS..SBendtrans-75.5-41.3177.9-66.8-6.8000112.4S23 Q29 D30 S65 P66 T67S23-D27 WeakPolarHBondContact CB-OD2 3.37Å; S23-D27 VanDerWaalsContact O-CB 3.3Å; S23-D27 WeakPolarHBondContact O-CB 3.45Å; S23-D27 PolarHBondContact O-N 3.47Å; D27-Q29 PolarHBondContact O-N 2.66Å; D27-D30 PolarHBondContact O-N 3.5Å; D27-S65 WeakPolarHBondContact OD2-CA 3.48Å; D27-S65 WeakPolarHBondContact OD2-CB 3.36Å; D27-S65 PolarHBondContact OD2-OG 3.36Å; D27-P66 WeakPolarHBondContact OD1-CD 3.36Å; D27-P66 WeakPolarHBondContact OD2-CD 3.3Å; D27-T67 WeakPolarHBondContact OD1-CB 3.47Å; D27-T67 PolarHBondContact OD1-N 2.91Å; D27-T67 PolarHBondContact OD1-OG1 3.49Å
28P84.7Confident89.7Confident72 Ų7251.8 Ų51.847%0.46825%0.252SS..G310 helixtrans-59.7136.1171.7-24.536.3000111.3S23 D24 D30 R31S23-P28 WeakPolarHBondContact O-CD 3.29Å; D24-P28 WeakPolarHBondContact O-CD 3.31Å; D24-P28 VanDerWaalsContact O-CG 3.31Å; D24-P28 WeakPolarHBondContact O-CG 3.35Å; P28-D30 PolarHBondContact O-N 2.8Å; P28-R31 WeakPolarHBondContact O-CG 3.43Å
29Q80.8Confident89.9Confident179 Ų17950.8 Ų50.884%0.83625%0.246SC*.G310 helixtrans61.722.4-179.1-48.9176.3600114.7D27 R31D27-Q29 PolarHBondContact O-N 2.66Å; Q29-R31 HydrophobicContact CB-CG 4.25Å; Q29-R31 PolarHBondContact O-N 2.79Å; Q29-R31 VanDerWaalsContact O-N 3.15Å
30D89.8Confident89.8Confident64 Ų6457 Ų5734%0.34227%0.27SS..G310 helixtrans58.326.3175.1-76.8-30.8000114.6D27 P28 W32 K33D27-D30 PolarHBondContact O-N 3.5Å; P28-D30 PolarHBondContact O-N 2.8Å; D30-W32 PolarHBondContact O-N 2.87Å; D30-W32 PolarHBondContact OD1-NE1 3.45Å; D30-W32 VanDerWaalsContact OD1-NE1 3.15Å; D30-K33 HydrophobicContact CB-CD 3.9Å; D30-K33 HydrophobicContact CB-CG 4.22Å; D30-K33 VanDerWaalsContact CG-CE 3.42Å; D30-K33 VanDerWaalsContact O-CB 3.25Å; D30-K33 WeakPolarHBondContact O-CB 3.44Å; D30-K33 WeakPolarHBondContact O-CG 3.26Å; D30-K33 PolarHBondContact O-N 2.96Å; D30-K33 IonicContact OD1-NZ 3.59Å; D30-K33 WeakPolarHBondContact OD2-CE 3.47Å; D30-K33 IonicContact OD2-NZ 3.46Å; D30-K33 PolarHBondContact OD2-NZ 3.07Å
31R90.2Very high89.6Confident74 Ų7454.8 Ų54.828%0.27926%0.264SS..THydrogen-bonded Turntrans-65.2-22.4-176.6-56.6-65.1-69.9152.19.2112.7L26 P28 Q29 K33 D34 R91 L93L26-R31 HydrophobicContact CD2-CB 4.31Å; L26-R31 CarbonylContact O-C 3.47Å; L26-R31 WeakPolarHBondContact O-CA 3.43Å; L26-R31 WeakPolarHBondContact O-CB 3.23Å; L26-R31 PolarHBondContact O-N 3.27Å; P28-R31 WeakPolarHBondContact O-CG 3.43Å; Q29-R31 HydrophobicContact CB-CG 4.25Å; Q29-R31 PolarHBondContact O-N 2.79Å; Q29-R31 VanDerWaalsContact O-N 3.15Å; R31-K33 PolarHBondContact O-N 2.74Å; R31-D34 IonicContact CZ-OD2 3.11Å; R31-D34 IonicContact NE-OD2 3.81Å; R31-D34 IonicContact NH1-OD2 2.68Å; R31-D34 PolarHBondContact NH1-OD2 3.12Å; R31-D34 IonicContact NH2-OD2 3.5Å; R31-D34 WeakPolarHBondContact O-CB 3.29Å; R31-D34 PolarHBondContact O-N 3.28Å; R31-R91 PolarHBondContact NH2-O 3.1Å; R31-L93 HydrophobicContact CB-CD2 4.15Å; R31-L93 HydrophobicContact CG-CD2 4.41Å
32W92.4Very high89.2Confident1 Ų157.4 Ų57.40%0.00429%0.289CS..Hα-helixtrans-55.9-27.816969.2-93.1000112.8L26 D30 D34 V35 I36 V53 F56 E57 V60 P66 T67L26-W32 HydrophobicContact CB-CB 4.46Å; L26-W32 PolarHBondContact O-N 3.06Å; D30-W32 PolarHBondContact O-N 2.87Å; D30-W32 PolarHBondContact OD1-NE1 3.45Å; D30-W32 VanDerWaalsContact OD1-NE1 3.15Å; W32-D34 VanDerWaalsContact C-N 3.3Å; W32-D34 PolarHBondContact O-N 3.48Å; W32-V35 PolarHBondContact O-N 3.31Å; W32-I36 HydrophobicContact CE3-CG2 4.1Å; W32-I36 HydrophobicContact CZ3-CD1 4.28Å; W32-I36 HydrophobicContact CZ3-CG2 4.03Å; W32-I36 PolarHBondContact O-N 3.24Å; W32-V53 HydrophobicContact CH2-CG1 4.23Å; W32-V53 HydrophobicContact CZ3-CG1 4.38Å; W32-F56 HydrophobicContact CE3-CB 4.18Å; W32-F56 HydrophobicContact CH2-CB 3.33Å; W32-F56 HydrophobicContact CZ2-CB 4.31Å; W32-F56 HydrophobicContact CZ3-CB 3.26Å; W32-F56 HydrophobicContact CZ3-CG 4.06Å; W32-E57 HydrophobicContact CH2-CG 3.85Å; W32-E57 HydrophobicContact CZ2-CG 3.89Å; W32-V60 HydrophobicContact CZ2-CG2 4.45Å; W32-P66 HydrophobicContact CD2-CB 3.53Å; W32-P66 HydrophobicContact CD2-CG 4.19Å; W32-P66 HydrophobicContact CE3-CB 3.93Å; W32-P66 HydrophobicContact CG-CB 3.83Å; W32-P66 HydrophobicContact CG-CG 4.38Å; W32-P66 HydrophobicContact CH2-CB 4.47Å; W32-P66 HydrophobicContact CZ2-CB 4.12Å; W32-P66 HydrophobicContact CZ2-CG 4.21Å; W32-P66 HydrophobicContact CZ3-CB 4.39Å; W32-T67 WeakPolarHBondContact CB-OG1 3.41Å
33K92.8Very high88.8Confident49 Ų4961.4 Ų61.421%0.21332%0.317CS..Hα-helixtrans-64.8-35.1175.3-64.4-176.4-168.8172.30111.8D30 R31 V35 I36 V37 V53 E57D30-K33 HydrophobicContact CB-CD 3.9Å; D30-K33 HydrophobicContact CB-CG 4.22Å; D30-K33 VanDerWaalsContact CG-CE 3.42Å; D30-K33 VanDerWaalsContact O-CB 3.25Å; D30-K33 WeakPolarHBondContact O-CB 3.44Å; D30-K33 WeakPolarHBondContact O-CG 3.26Å; D30-K33 PolarHBondContact O-N 2.96Å; D30-K33 IonicContact OD1-NZ 3.59Å; D30-K33 WeakPolarHBondContact OD2-CE 3.47Å; D30-K33 IonicContact OD2-NZ 3.46Å; D30-K33 PolarHBondContact OD2-NZ 3.07Å; R31-K33 PolarHBondContact O-N 2.74Å; K33-V35 VanDerWaalsContact C-N 3.27Å; K33-V35 PolarHBondContact O-N 3.08Å; K33-I36 WeakPolarHBondContact O-CG2 3.37Å; K33-V37 WeakPolarHBondContact O-CG1 3.43Å; K33-V37 VanDerWaalsContact O-CG2 3.22Å; K33-V37 WeakPolarHBondContact O-CG2 3.39Å; K33-V37 PolarHBondContact O-N 3.18Å; K33-V53 HydrophobicContact CG-CG1 4.42Å; K33-E57 WeakPolarHBondContact CE-OE1 3.48Å; K33-E57 IonicContact NZ-OE1 3.9Å; K33-E57 PolarHBondContact NZ-OE1 3.41Å
34D90.8Very high88.2Confident45 Ų4563 Ų6324%0.24133%0.334CS..Hα-helixtrans-69-31.2176.7-65.1-34.7000111.5R31 W32 S38 R91R31-D34 IonicContact CZ-OD2 3.11Å; R31-D34 IonicContact NE-OD2 3.81Å; R31-D34 IonicContact NH1-OD2 2.68Å; R31-D34 PolarHBondContact NH1-OD2 3.12Å; R31-D34 IonicContact NH2-OD2 3.5Å; R31-D34 WeakPolarHBondContact O-CB 3.29Å; R31-D34 PolarHBondContact O-N 3.28Å; W32-D34 VanDerWaalsContact C-N 3.3Å; W32-D34 PolarHBondContact O-N 3.48Å; D34-S38 PolarHBondContact O-OG 2.87Å; D34-R91 HydrophobicContact CB-CB 4.39Å; D34-R91 HydrophobicContact CB-CG 4.14Å; D34-R91 PolarHBondContact O-NE 2.93Å
35V91.8Very high88Confident2 Ų263.5 Ų63.51%0.01233%0.334CS..Hα-helixtrans-74.6-53.1177.4-1770000110.2L26 W32 K33 V37 S38 I39 L70 L84 I87 L88 L93L26-V35 HydrophobicContact CD1-CG2 4.34Å; L26-V35 HydrophobicContact CD2-CG2 4.35Å; W32-V35 PolarHBondContact O-N 3.31Å; K33-V35 VanDerWaalsContact C-N 3.27Å; K33-V35 PolarHBondContact O-N 3.08Å; V35-V37 VanDerWaalsContact C-N 3.32Å; V35-V37 PolarHBondContact O-N 2.98Å; V35-S38 WeakPolarHBondContact O-CB 3.38Å; V35-S38 PolarHBondContact O-N 3.04Å; V35-I39 PolarHBondContact O-N 3.37Å; V35-L70 HydrophobicContact CB-CD2 4.31Å; V35-L70 HydrophobicContact CG1-CD2 4.05Å; V35-L84 HydrophobicContact CG1-CD1 4.24Å; V35-I87 HydrophobicContact CB-CG2 4.46Å; V35-I87 HydrophobicContact CG1-CG2 4.03Å; V35-L88 HydrophobicContact CG2-CD2 3.87Å; V35-L93 HydrophobicContact CG2-CD1 3.91Å
36I92.8Very high88Confident0 Ų063.3 Ų63.30%034%0.336CS..Hα-helixtrans-60.3-37.5-174.7-166.7172000113.1W32 K33 S38 I39 Y48 V53 F56 L70W32-I36 HydrophobicContact CE3-CG2 4.1Å; W32-I36 HydrophobicContact CZ3-CD1 4.28Å; W32-I36 HydrophobicContact CZ3-CG2 4.03Å; W32-I36 PolarHBondContact O-N 3.24Å; K33-I36 WeakPolarHBondContact O-CG2 3.37Å; I36-S38 PolarHBondContact O-N 3.43Å; I36-I39 PolarHBondContact O-N 3.15Å; I36-Y48 HydrophobicContact CD1-CD1 4.1Å; I36-Y48 HydrophobicContact CD1-CD2 4.33Å; I36-Y48 HydrophobicContact CD1-CG 3.92Å; I36-Y48 HydrophobicContact CG1-CD1 4.12Å; I36-Y48 HydrophobicContact CG1-CD2 3.48Å; I36-Y48 VanDerWaalsContact CG1-CD2 3.48Å; I36-Y48 HydrophobicContact CG1-CE2 4.15Å; I36-Y48 HydrophobicContact CG1-CG 3.46Å; I36-Y48 VanDerWaalsContact CG1-CG 3.46Å; I36-Y48 WeakPolarHBondContact O-CD2 3.19Å; I36-V53 HydrophobicContact CG2-CG2 4.02Å; I36-F56 HydrophobicContact CD1-CD2 3.33Å; I36-F56 HydrophobicContact CD1-CE2 3.57Å; I36-F56 HydrophobicContact CD1-CG 3.94Å; I36-F56 HydrophobicContact CD1-CZ 4.31Å; I36-L70 HydrophobicContact CB-CD1 4.1Å; I36-L70 HydrophobicContact CB-CD2 3.89Å; I36-L70 HydrophobicContact CD1-CD1 3.9Å; I36-L70 HydrophobicContact CG1-CD1 3.68Å; I36-L70 HydrophobicContact CG1-CD2 4.4Å
37V92Very high87.9Confident52 Ų5266 Ų6632%0.31535%0.346SS..THydrogen-bonded Turntrans-75.3-10.9178.5-58.90000113.2K33 V35 L46 V53K33-V37 WeakPolarHBondContact O-CG1 3.43Å; K33-V37 VanDerWaalsContact O-CG2 3.22Å; K33-V37 WeakPolarHBondContact O-CG2 3.39Å; K33-V37 PolarHBondContact O-N 3.18Å; V35-V37 VanDerWaalsContact C-N 3.32Å; V35-V37 PolarHBondContact O-N 2.98Å; V37-L46 VanDerWaalsContact O-CD2 3.31Å; V37-L46 WeakPolarHBondContact O-CD2 3.15Å; V37-V53 HydrophobicContact CG1-CG2 4.2Å
38S90.3Very high87.8Confident19 Ų1964.7 Ų64.713%0.13334%0.338CS..THydrogen-bonded Turntrans-94.5-13.9179.6-56.40000112.9D34 V35 I36 R40 R91D34-S38 PolarHBondContact O-OG 2.87Å; V35-S38 WeakPolarHBondContact O-CB 3.38Å; V35-S38 PolarHBondContact O-N 3.04Å; I36-S38 PolarHBondContact O-N 3.43Å; S38-R40 PolarHBondContact O-N 2.77Å; S38-R91 VanDerWaalsContact OG-CZ 3.24Å; S38-R91 PolarHBondContact OG-NE 3.44Å; S38-R91 PolarHBondContact OG-NH2 2.97Å
39I91.3Very high88Confident1 Ų164 Ų641%0.00534%0.336CS..  trans-76123-177.1-60.8164.9000109.7V35 I36 R47 Y48 L70 W74 I87V35-I39 PolarHBondContact O-N 3.37Å; I36-I39 PolarHBondContact O-N 3.15Å; I39-R47 HydrophobicContact CB-CB 4.44Å; I39-R47 HydrophobicContact CG2-CB 3.87Å; I39-R47 HydrophobicContact CG2-CG 4.38Å; I39-R47 WeakPolarHBondContact O-CB 3.37Å; I39-R47 PolarHBondContact O-N 3.21Å; I39-Y48 HydrophobicContact CB-CD2 4.04Å; I39-Y48 HydrophobicContact CB-CE2 4Å; I39-Y48 HydrophobicContact CD1-CD2 4.13Å; I39-Y48 HydrophobicContact CD1-CE2 3.62Å; I39-Y48 HydrophobicContact CG1-CE2 4.42Å; I39-Y48 HydrophobicContact CG2-CD2 4.39Å; I39-Y48 HydrophobicContact CG2-CE2 3.98Å; I39-L70 HydrophobicContact CD1-CD1 3.89Å; I39-L70 HydrophobicContact CD1-CD2 4.27Å; I39-L70 HydrophobicContact CD1-CG 4.28Å; I39-W74 HydrophobicContact CD1-CD2 3.69Å; I39-W74 HydrophobicContact CD1-CE3 3.55Å; I39-W74 HydrophobicContact CD1-CG 4.12Å; I39-W74 HydrophobicContact CD1-CZ3 4.06Å; I39-W74 HydrophobicContact CG1-CD2 4.11Å; I39-W74 HydrophobicContact CG1-CE3 4.05Å; I39-W74 HydrophobicContact CG1-CH2 4.28Å; I39-W74 HydrophobicContact CG1-CZ2 4.32Å; I39-W74 HydrophobicContact CG1-CZ3 4.12Å; I39-W74 HydrophobicContact CG2-CD2 4.04Å; I39-W74 HydrophobicContact CG2-CG 4.23Å; I39-W74 HydrophobicContact CG2-CZ2 4.1Å; I39-I87 HydrophobicContact CG1-CD1 3.85Å
40R88.6Confident88.3Confident158 Ų15861.7 Ų61.760%0.59633%0.325SS*.BIsolated β-bridgetrans-111.9152179.4-64.1179.6-176-83.3-3.4111S38 G44 E45S38-R40 PolarHBondContact O-N 2.77Å; R40-G44 PolarHBondContact NH1-O 3.21Å; R40-G44 VanDerWaalsContact NH1-O 3.11Å; R40-E45 CarbonylContact C-O 3.53Å; R40-E45 VanDerWaalsContact CA-O 3.24Å; R40-E45 WeakPolarHBondContact CA-O 3.35Å
41K85.5Confident87.9Confident85 Ų8565.1 Ų65.137%0.3734%0.342SS..  trans-75.6163.6167.9-62.8178-169.8165.90109.5S43 G44 E45 R47K41-S43 PolarHBondContact O-N 3.13Å; K41-G44 PolarHBondContact O-N 3.01Å; K41-E45 PolarHBondContact N-O 2.85Å; K41-E45 IonicContact NZ-OE2 3.68Å; K41-R47 HydrophobicContact CG-CB 4.19Å
42P79.4Confident87.9Confident150 Ų15064.9 Ų64.997%0.97434%0.344SS*.THydrogen-bonded Turntrans-55.1-23.1170.5-26.835.6000114.1G44P42-G44 VanDerWaalsContact C-N 3.27Å; P42-G44 PolarHBondContact O-N 3.32Å
43S81.3Confident87.7Confident85 Ų8565.1 Ų65.159%0.59435%0.346SS*.THydrogen-bonded Turntrans-76.1-4.5173.8590000114.8K41 E45K41-S43 PolarHBondContact O-N 3.13Å; S43-E45 VanDerWaalsContact C-N 3.31Å; S43-E45 PolarHBondContact O-N 3.3Å
44G80.2Confident87.5Confident41 Ų4170.9 Ų70.942%0.42337%0.366SS..SBendtrans87.5-13.8-178.400000115.3R40 K41 P42R40-G44 PolarHBondContact NH1-O 3.21Å; R40-G44 VanDerWaalsContact NH1-O 3.11Å; K41-G44 PolarHBondContact O-N 3.01Å; P42-G44 VanDerWaalsContact C-N 3.27Å; P42-G44 PolarHBondContact O-N 3.32Å
45E84.8Confident87.5Confident118 Ų11875.6 Ų75.655%0.55138%0.381SS*.SBendtrans-68.9154.1174.9-66.7179.2175.900112.4R40 K41 S43 R47R40-E45 CarbonylContact C-O 3.53Å; R40-E45 VanDerWaalsContact CA-O 3.24Å; R40-E45 WeakPolarHBondContact CA-O 3.35Å; K41-E45 PolarHBondContact N-O 2.85Å; K41-E45 IonicContact NZ-OE2 3.68Å; S43-E45 VanDerWaalsContact C-N 3.31Å; S43-E45 PolarHBondContact O-N 3.3Å; E45-R47 PolarHBondContact O-N 3.27Å
46L86.9Confident87.4Confident92 Ų9275.7 Ų75.748%0.48238%0.381SS..BIsolated β-bridgetrans-61.4131.7171-65.3173.8000110.3V37V37-L46 VanDerWaalsContact O-CD2 3.31Å; V37-L46 WeakPolarHBondContact O-CD2 3.15Å
47R87.8Confident87.1Confident62 Ų6279.1 Ų79.123%0.23440%0.397CS..SBendtrans-72.9-42.6176.4-179176.8174.284.8-1111.2I39 K41 E45 D73I39-R47 HydrophobicContact CB-CB 4.44Å; I39-R47 HydrophobicContact CG2-CB 3.87Å; I39-R47 HydrophobicContact CG2-CG 4.38Å; I39-R47 WeakPolarHBondContact O-CB 3.37Å; I39-R47 PolarHBondContact O-N 3.21Å; K41-R47 HydrophobicContact CG-CB 4.19Å; E45-R47 PolarHBondContact O-N 3.27Å; R47-D73 IonicContact NH2-OD2 2.99Å
48Y90.6Very high86.7Confident9 Ų978 Ų784%0.03540%0.396CS..SBendtrans-107.6125.5-176.8-60-77000110.5I36 I39 H52 F56 L70 D73 W74I36-Y48 HydrophobicContact CD1-CD1 4.1Å; I36-Y48 HydrophobicContact CD1-CD2 4.33Å; I36-Y48 HydrophobicContact CD1-CG 3.92Å; I36-Y48 HydrophobicContact CG1-CD1 4.12Å; I36-Y48 HydrophobicContact CG1-CD2 3.48Å; I36-Y48 VanDerWaalsContact CG1-CD2 3.48Å; I36-Y48 HydrophobicContact CG1-CE2 4.15Å; I36-Y48 HydrophobicContact CG1-CG 3.46Å; I36-Y48 VanDerWaalsContact CG1-CG 3.46Å; I36-Y48 WeakPolarHBondContact O-CD2 3.19Å; I39-Y48 HydrophobicContact CB-CD2 4.04Å; I39-Y48 HydrophobicContact CB-CE2 4Å; I39-Y48 HydrophobicContact CD1-CD2 4.13Å; I39-Y48 HydrophobicContact CD1-CE2 3.62Å; I39-Y48 HydrophobicContact CG1-CE2 4.42Å; I39-Y48 HydrophobicContact CG2-CD2 4.39Å; I39-Y48 HydrophobicContact CG2-CE2 3.98Å; Y48-H52 HydrophobicContact CD1-CB 3.92Å; Y48-H52 HydrophobicContact CG-CB 4.46Å; Y48-F56 HydrophobicContact CD1-CE2 4.45Å; Y48-F56 HydrophobicContact CE1-CE2 4.34Å; Y48-L70 HydrophobicContact CD2-CD1 4.4Å; Y48-L70 HydrophobicContact CE1-CD1 4.42Å; Y48-L70 HydrophobicContact CE2-CD1 3.77Å; Y48-D73 WeakPolarHBondContact CE1-OD2 3.41Å; Y48-D73 VanDerWaalsContact CZ-OD2 3.27Å; Y48-D73 PolarHBondContact OH-OD2 3.3Å; Y48-W74 PolarHBondContact OH-N 3.13Å
49S88.6Confident86.5Confident58 Ų5878 Ų7841%0.40639%0.394SS..  trans-84.7170.1171.8700000111.6L51 H52 V53S49-L51 PolarHBondContact O-N 3.27Å; S49-L51 VanDerWaalsContact O-N 3.13Å; S49-H52 PolarHBondContact N-ND1 3.11Å; S49-H52 VanDerWaalsContact N-ND1 3.14Å; S49-H52 WeakPolarHBondContact O-CA 3.3Å; S49-H52 WeakPolarHBondContact O-CB 3.43Å; S49-H52 PolarHBondContact O-N 3.16Å; S49-H52 PolarHBondContact OG-ND1 3.46Å; S49-V53 PolarHBondContact O-N 3.22Å; S49-V53 VanDerWaalsContact O-N 3.16Å
50Q85.7Confident86.1Confident131 Ų13181.3 Ų81.361%0.61241%0.414SS*.Hα-helixtrans-56.7-30.1175.3-160.266.312.800113.3H52 V53 R54Q50-H52 VanDerWaalsContact C-N 3.34Å; Q50-V53 PolarHBondContact O-N 3.31Å; Q50-R54 PolarHBondContact O-N 2.82Å; Q50-R54 VanDerWaalsContact O-N 3.11Å
51L82.6Confident85.4Confident135 Ų13578.2 Ų78.271%0.70742%0.422SS*.Hα-helixtrans-65.4-38.6174.6-165.987.6000111.6S49 R54 R55S49-L51 PolarHBondContact O-N 3.27Å; S49-L51 VanDerWaalsContact O-N 3.13Å; L51-R54 PolarHBondContact O-N 2.95Å; L51-R55 PolarHBondContact O-N 2.96Å; L51-R55 VanDerWaalsContact O-N 3.11Å
52H89.9Confident85Confident70 Ų7080 Ų8032%0.32443%0.432SS..Hα-helixtrans-65.7-45.3175.3-64.596.2000110.4Y48 S49 Q50 R54 R55 F56Y48-H52 HydrophobicContact CD1-CB 3.92Å; Y48-H52 HydrophobicContact CG-CB 4.46Å; S49-H52 PolarHBondContact N-ND1 3.11Å; S49-H52 VanDerWaalsContact N-ND1 3.14Å; S49-H52 WeakPolarHBondContact O-CA 3.3Å; S49-H52 WeakPolarHBondContact O-CB 3.43Å; S49-H52 PolarHBondContact O-N 3.16Å; S49-H52 PolarHBondContact OG-ND1 3.46Å; Q50-H52 VanDerWaalsContact C-N 3.34Å; H52-R54 VanDerWaalsContact C-N 3.28Å; H52-R54 PolarHBondContact O-N 3.21Å; H52-R55 WeakPolarHBondContact O-CA 3.45Å; H52-R55 WeakPolarHBondContact O-CB 3.49Å; H52-R55 PolarHBondContact O-N 3.36Å; H52-F56 VanDerWaalsContact O-CD2 3.26Å; H52-F56 WeakPolarHBondContact O-CD2 3.06Å; H52-F56 PolarHBondContact O-N 3.16Å
53V88.6Confident85.2Confident6 Ų676.4 Ų76.44%0.03642%0.423CS..Hα-helixtrans-54.9-45.5176.8-177.10000111W32 K33 I36 V37 S49 Q50 R55 F56 E57W32-V53 HydrophobicContact CH2-CG1 4.23Å; W32-V53 HydrophobicContact CZ3-CG1 4.38Å; K33-V53 HydrophobicContact CG-CG1 4.42Å; I36-V53 HydrophobicContact CG2-CG2 4.02Å; V37-V53 HydrophobicContact CG1-CG2 4.2Å; S49-V53 PolarHBondContact O-N 3.22Å; S49-V53 VanDerWaalsContact O-N 3.16Å; Q50-V53 PolarHBondContact O-N 3.31Å; V53-R55 VanDerWaalsContact C-N 3.33Å; V53-R55 PolarHBondContact O-N 2.74Å; V53-F56 PolarHBondContact O-N 2.86Å; V53-F56 VanDerWaalsContact O-N 3.12Å; V53-E57 WeakPolarHBondContact O-CG 3.46Å; V53-E57 PolarHBondContact O-N 3.03Å
54R87.9Confident85.5Confident170 Ų17077.3 Ų77.364%0.64242%0.416SS*.Hα-helixtrans-61.5-36.1175.2-72.8-174.7179.1179.10.8113.9Q50 L51 H52 F56 E57 G58Q50-R54 PolarHBondContact O-N 2.82Å; Q50-R54 VanDerWaalsContact O-N 3.11Å; L51-R54 PolarHBondContact O-N 2.95Å; H52-R54 VanDerWaalsContact C-N 3.28Å; H52-R54 PolarHBondContact O-N 3.21Å; R54-F56 VanDerWaalsContact C-N 3.33Å; R54-E57 PolarHBondContact O-N 3.28Å; R54-G58 PolarHBondContact O-N 2.72Å
55R89.9Confident86.1Confident144 Ų14476.7 Ų76.754%0.54341%0.405SS..Hα-helixtrans-61.8-43.2173.6176.6-175.3164.5-159.5-10.4110.9L51 H52 V53 G58 L59L51-R55 PolarHBondContact O-N 2.96Å; L51-R55 VanDerWaalsContact O-N 3.11Å; H52-R55 WeakPolarHBondContact O-CA 3.45Å; H52-R55 WeakPolarHBondContact O-CB 3.49Å; H52-R55 PolarHBondContact O-N 3.36Å; V53-R55 VanDerWaalsContact C-N 3.33Å; V53-R55 PolarHBondContact O-N 2.74Å; R55-G58 PolarHBondContact O-N 3.15Å; R55-L59 PolarHBondContact O-N 2.79Å
56F89.8Confident86.6Confident4 Ų471.2 Ų71.22%0.01838%0.38CS..Hα-helixtrans-69.4-34.4177.2-79.5-88.2000112.4W32 I36 Y48 H52 V53 R54 G58 L59 P66 E69 L70 D73W32-F56 HydrophobicContact CE3-CB 4.18Å; W32-F56 HydrophobicContact CH2-CB 3.33Å; W32-F56 HydrophobicContact CZ2-CB 4.31Å; W32-F56 HydrophobicContact CZ3-CB 3.26Å; W32-F56 HydrophobicContact CZ3-CG 4.06Å; I36-F56 HydrophobicContact CD1-CD2 3.33Å; I36-F56 HydrophobicContact CD1-CE2 3.57Å; I36-F56 HydrophobicContact CD1-CG 3.94Å; I36-F56 HydrophobicContact CD1-CZ 4.31Å; Y48-F56 HydrophobicContact CD1-CE2 4.45Å; Y48-F56 HydrophobicContact CE1-CE2 4.34Å; H52-F56 VanDerWaalsContact O-CD2 3.26Å; H52-F56 WeakPolarHBondContact O-CD2 3.06Å; H52-F56 PolarHBondContact O-N 3.16Å; V53-F56 PolarHBondContact O-N 2.86Å; V53-F56 VanDerWaalsContact O-N 3.12Å; R54-F56 VanDerWaalsContact C-N 3.33Å; F56-G58 VanDerWaalsContact C-N 3.26Å; F56-G58 PolarHBondContact O-N 3.05Å; F56-L59 HydrophobicContact CB-CD1 4.49Å; F56-L59 HydrophobicContact CD1-CD1 3.67Å; F56-L59 HydrophobicContact CE1-CD1 4.19Å; F56-L59 HydrophobicContact CG-CD1 4.27Å; F56-L59 VanDerWaalsContact O-CB 3.26Å; F56-L59 WeakPolarHBondContact O-CB 3.21Å; F56-L59 PolarHBondContact O-N 2.91Å; F56-P66 HydrophobicContact CB-CB 4.44Å; F56-P66 HydrophobicContact CD1-CB 4.25Å; F56-E69 HydrophobicContact CD1-CB 4.37Å; F56-E69 HydrophobicContact CD1-CG 4.4Å; F56-E69 HydrophobicContact CE1-CB 3.82Å; F56-E69 HydrophobicContact CE1-CG 3.68Å; F56-E69 HydrophobicContact CZ-CG 4.32Å; F56-L70 HydrophobicContact CE1-CB 3.91Å; F56-L70 HydrophobicContact CZ-CB 4.36Å; F56-L70 HydrophobicContact CZ-CD1 4.23Å; F56-D73 HydrophobicContact CZ-CB 4.5Å
57E87.9Confident86.8Confident72 Ų7267 Ų6734%0.33636%0.358SS..Hα-helixtrans-60.5-37.8170.4-70175.6148.400111.6W32 K33 V53 R54 L59 V60 A61W32-E57 HydrophobicContact CH2-CG 3.85Å; W32-E57 HydrophobicContact CZ2-CG 3.89Å; K33-E57 WeakPolarHBondContact CE-OE1 3.48Å; K33-E57 IonicContact NZ-OE1 3.9Å; K33-E57 PolarHBondContact NZ-OE1 3.41Å; V53-E57 WeakPolarHBondContact O-CG 3.46Å; V53-E57 PolarHBondContact O-N 3.03Å; R54-E57 PolarHBondContact O-N 3.28Å; E57-L59 PolarHBondContact O-N 2.93Å; E57-V60 WeakPolarHBondContact O-CB 3.35Å; E57-V60 PolarHBondContact O-N 2.65Å; E57-V60 VanDerWaalsContact O-N 3.12Å; E57-A61 PolarHBondContact O-N 2.66Å
58G84.1Confident87.1Confident28 Ų2864.9 Ų64.929%0.28935%0.352SS..Hα-helixtrans-61.3-23.6173.400000114.1R54 R55 F56 Q62R54-G58 PolarHBondContact O-N 2.72Å; R55-G58 PolarHBondContact O-N 3.15Å; F56-G58 VanDerWaalsContact C-N 3.26Å; F56-G58 PolarHBondContact O-N 3.05Å; G58-Q62 VanDerWaalsContact O-CG 3.29Å; G58-Q62 WeakPolarHBondContact O-CG 3.4Å; G58-Q62 PolarHBondContact O-NE2 3.09Å
59L84.7Confident87.1Confident19 Ų1967.6 Ų67.610%0.09937%0.365CS..Hα-helixtrans-73.3-34.8175-59.9170.8000111.8R55 F56 E57 A61 Q62 G63 K64 E69R55-L59 PolarHBondContact O-N 2.79Å; F56-L59 HydrophobicContact CB-CD1 4.49Å; F56-L59 HydrophobicContact CD1-CD1 3.67Å; F56-L59 HydrophobicContact CE1-CD1 4.19Å; F56-L59 HydrophobicContact CG-CD1 4.27Å; F56-L59 VanDerWaalsContact O-CB 3.26Å; F56-L59 WeakPolarHBondContact O-CB 3.21Å; F56-L59 PolarHBondContact O-N 2.91Å; E57-L59 PolarHBondContact O-N 2.93Å; L59-A61 VanDerWaalsContact C-N 3.32Å; L59-A61 PolarHBondContact O-N 3.25Å; L59-Q62 CarbonylContact O-C 3.59Å; L59-Q62 WeakPolarHBondContact O-CA 3.43Å; L59-Q62 WeakPolarHBondContact O-CB 3.28Å; L59-Q62 PolarHBondContact O-N 3.25Å; L59-G63 PolarHBondContact O-N 3.36Å; L59-K64 HydrophobicContact CB-CB 4.16Å; L59-K64 HydrophobicContact CD2-CD 4.24Å; L59-K64 PolarHBondContact O-N 3.29Å; L59-E69 HydrophobicContact CD1-CB 3.78Å; L59-E69 HydrophobicContact CD1-CG 3.64Å
60V82.6Confident87.4Confident70 Ų7065 Ų6542%0.42435%0.346SS..Hα-helixtrans-60.7-44.4175.5-176.90000110.2W32 E57 Q62 G63 P66W32-V60 HydrophobicContact CZ2-CG2 4.45Å; E57-V60 WeakPolarHBondContact O-CB 3.35Å; E57-V60 PolarHBondContact O-N 2.65Å; E57-V60 VanDerWaalsContact O-N 3.12Å; V60-Q62 PolarHBondContact O-N 3.22Å; V60-Q62 VanDerWaalsContact O-N 3.13Å; V60-G63 PolarHBondContact O-N 2.99Å; V60-P66 HydrophobicContact CG2-CG 3.29Å
61A74Confident87.7Confident93 Ų9359 Ų5977%0.76932%0.318SS*.THydrogen-bonded Turntrans-63.5-17.1176.200000113.4E57 L59E57-A61 PolarHBondContact O-N 2.66Å; L59-A61 VanDerWaalsContact C-N 3.32Å; L59-A61 PolarHBondContact O-N 3.25Å
62Q77.9Confident88Confident122 Ų12255.6 Ų55.657%0.5730%0.301SS*.THydrogen-bonded Turntrans-99.79177.4-64.1167.836.600112.6G58 L59 V60 K64G58-Q62 VanDerWaalsContact O-CG 3.29Å; G58-Q62 WeakPolarHBondContact O-CG 3.4Å; G58-Q62 PolarHBondContact O-NE2 3.09Å; L59-Q62 CarbonylContact O-C 3.59Å; L59-Q62 WeakPolarHBondContact O-CA 3.43Å; L59-Q62 WeakPolarHBondContact O-CB 3.28Å; L59-Q62 PolarHBondContact O-N 3.25Å; V60-Q62 PolarHBondContact O-N 3.22Å; V60-Q62 VanDerWaalsContact O-N 3.13Å; Q62-K64 PolarHBondContact O-N 3.14Å
63G84.3Confident88Confident76 Ų7654.6 Ų54.678%0.78430%0.298SS*.THydrogen-bonded Turntrans69.815-178.800000114.5L59 V60L59-G63 PolarHBondContact O-N 3.36Å; V60-G63 PolarHBondContact O-N 2.99Å
64K87.5Confident88.1Confident104 Ų10454.9 Ų54.945%0.45230%0.298SS..  trans-97150.9180-67.7-175.3173.2-167.50111.2L59 Q62 P66L59-K64 HydrophobicContact CB-CB 4.16Å; L59-K64 HydrophobicContact CD2-CD 4.24Å; L59-K64 PolarHBondContact O-N 3.29Å; Q62-K64 PolarHBondContact O-N 3.14Å; K64-P66 WeakPolarHBondContact O-CD 3.49Å
65S92.5Very high88.1Confident28 Ų2846.9 Ų46.920%0.19627%0.269CS..  trans-74.8114.5174.5171.90000111.8S23 D27 T67 V68 E69S23-S65 WeakPolarHBondContact CB-OG 3.49Å; D27-S65 WeakPolarHBondContact OD2-CA 3.48Å; D27-S65 WeakPolarHBondContact OD2-CB 3.36Å; D27-S65 PolarHBondContact OD2-OG 3.36Å; S65-T67 VanDerWaalsContact C-N 3.27Å; S65-T67 PolarHBondContact O-N 2.92Å; S65-T67 PolarHBondContact OG-N 3.33Å; S65-V68 WeakPolarHBondContact OG-CG2 3.3Å; S65-V68 PolarHBondContact OG-N 2.77Å; S65-E69 PolarHBondContact O-N 3.46Å
66P93.8Very high87.8Confident3 Ų344.7 Ų44.72%0.01927%0.272CS..Hα-helixtrans-64.1-33.1172.1-21.334.9000112.3D27 W32 F56 V60 K64 L70D27-P66 WeakPolarHBondContact OD1-CD 3.36Å; D27-P66 WeakPolarHBondContact OD2-CD 3.3Å; W32-P66 HydrophobicContact CD2-CB 3.53Å; W32-P66 HydrophobicContact CD2-CG 4.19Å; W32-P66 HydrophobicContact CE3-CB 3.93Å; W32-P66 HydrophobicContact CG-CB 3.83Å; W32-P66 HydrophobicContact CG-CG 4.38Å; W32-P66 HydrophobicContact CH2-CB 4.47Å; W32-P66 HydrophobicContact CZ2-CB 4.12Å; W32-P66 HydrophobicContact CZ2-CG 4.21Å; W32-P66 HydrophobicContact CZ3-CB 4.39Å; F56-P66 HydrophobicContact CB-CB 4.44Å; F56-P66 HydrophobicContact CD1-CB 4.25Å; V60-P66 HydrophobicContact CG2-CG 3.29Å; K64-P66 WeakPolarHBondContact O-CD 3.49Å; P66-L70 WeakPolarHBondContact O-CB 3.45Å; P66-L70 PolarHBondContact O-N 3.34Å
67T93.1Very high87.5Confident3 Ų346.5 Ų46.52%0.01828%0.283CS..Hα-helixtrans-65.1-46.7178.1-650000112L22 L26 D27 W32 S65 E69 L70 L71L22-T67 HydrophobicContact CB-CG2 4.33Å; L26-T67 HydrophobicContact CB-CG2 4.04Å; L26-T67 WeakPolarHBondContact CB-OG1 3.47Å; L26-T67 HydrophobicContact CD1-CG2 3.74Å; L26-T67 HydrophobicContact CG-CG2 4.44Å; D27-T67 WeakPolarHBondContact OD1-CB 3.47Å; D27-T67 PolarHBondContact OD1-N 2.91Å; D27-T67 PolarHBondContact OD1-OG1 3.49Å; W32-T67 WeakPolarHBondContact CB-OG1 3.41Å; S65-T67 VanDerWaalsContact C-N 3.27Å; S65-T67 PolarHBondContact O-N 2.92Å; S65-T67 PolarHBondContact OG-N 3.33Å; T67-E69 VanDerWaalsContact C-N 3.33Å; T67-E69 PolarHBondContact O-N 2.78Å; T67-L70 PolarHBondContact O-N 2.76Å; T67-L71 HydrophobicContact CG2-CD1 4.17Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 2.89Å
68V92.1Very high87.4Confident18 Ų1848.5 Ų48.511%0.10930%0.296CS..Hα-helixtrans-62-44.9178.5173.60000110.4Y16 R19 S65 L70 L71 N72Y16-V68 HydrophobicContact CE2-CG1 4.27Å; R19-V68 HydrophobicContact CB-CG2 4.29Å; S65-V68 WeakPolarHBondContact OG-CG2 3.3Å; S65-V68 PolarHBondContact OG-N 2.77Å; V68-L70 VanDerWaalsContact C-N 3.31Å; V68-L70 PolarHBondContact O-N 3.43Å; V68-L71 PolarHBondContact O-N 2.87Å; V68-N72 PolarHBondContact O-N 3.19Å; V68-N72 PolarHBondContact O-ND2 3.04Å; V68-N72 PolarHBondContact O-OD1 2.99Å
69E92.3Very high87.5Confident66 Ų6647.3 Ų47.331%0.30828%0.283SS..Hα-helixtrans-64.7-36.5177.4-172.870-178.900111.9F56 L59 S65 T67 N72 D73F56-E69 HydrophobicContact CD1-CB 4.37Å; F56-E69 HydrophobicContact CD1-CG 4.4Å; F56-E69 HydrophobicContact CE1-CB 3.82Å; F56-E69 HydrophobicContact CE1-CG 3.68Å; F56-E69 HydrophobicContact CZ-CG 4.32Å; L59-E69 HydrophobicContact CD1-CB 3.78Å; L59-E69 HydrophobicContact CD1-CG 3.64Å; S65-E69 PolarHBondContact O-N 3.46Å; T67-E69 VanDerWaalsContact C-N 3.33Å; T67-E69 PolarHBondContact O-N 2.78Å; E69-N72 WeakPolarHBondContact O-CB 3.3Å; E69-N72 PolarHBondContact O-N 2.81Å; E69-D73 WeakPolarHBondContact O-CB 3.43Å; E69-D73 PolarHBondContact O-N 3.46Å
70L94Very high87.8Confident3 Ų348 Ų482%0.01629%0.288CS..Hα-helixtrans-65.9-42.8178.2176.462.4000110.8V35 I36 I39 Y48 F56 P66 T67 V68 N72 D73 W74V35-L70 HydrophobicContact CB-CD2 4.31Å; V35-L70 HydrophobicContact CG1-CD2 4.05Å; I36-L70 HydrophobicContact CB-CD1 4.1Å; I36-L70 HydrophobicContact CB-CD2 3.89Å; I36-L70 HydrophobicContact CD1-CD1 3.9Å; I36-L70 HydrophobicContact CG1-CD1 3.68Å; I36-L70 HydrophobicContact CG1-CD2 4.4Å; I39-L70 HydrophobicContact CD1-CD1 3.89Å; I39-L70 HydrophobicContact CD1-CD2 4.27Å; I39-L70 HydrophobicContact CD1-CG 4.28Å; Y48-L70 HydrophobicContact CD2-CD1 4.4Å; Y48-L70 HydrophobicContact CE1-CD1 4.42Å; Y48-L70 HydrophobicContact CE2-CD1 3.77Å; F56-L70 HydrophobicContact CE1-CB 3.91Å; F56-L70 HydrophobicContact CZ-CB 4.36Å; F56-L70 HydrophobicContact CZ-CD1 4.23Å; P66-L70 WeakPolarHBondContact O-CB 3.45Å; P66-L70 PolarHBondContact O-N 3.34Å; T67-L70 PolarHBondContact O-N 2.76Å; V68-L70 VanDerWaalsContact C-N 3.31Å; V68-L70 PolarHBondContact O-N 3.43Å; L70-N72 VanDerWaalsContact C-N 3.33Å; L70-D73 PolarHBondContact O-N 2.65Å; L70-W74 WeakPolarHBondContact O-CB 3.29Å; L70-W74 PolarHBondContact O-N 3.21Å
71L91.9Very high88.2Confident5 Ų544.6 Ų44.63%0.02627%0.268CS..Hα-helixtrans-68-34.2176.7-65.4177.3000111.6I11 R19 L22 T67 V68 G75 L84I11-L71 HydrophobicContact CG2-CB 4.24Å; I11-L71 HydrophobicContact CG2-CD2 3.98Å; R19-L71 HydrophobicContact CB-CD1 4.25Å; R19-L71 HydrophobicContact CG-CD1 4.05Å; L22-L71 HydrophobicContact CD1-CD1 3.81Å; T67-L71 HydrophobicContact CG2-CD1 4.17Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 2.89Å; V68-L71 PolarHBondContact O-N 2.87Å; L71-G75 WeakPolarHBondContact O-CA 3.32Å; L71-G75 PolarHBondContact O-N 3.03Å; L71-L84 HydrophobicContact CD2-CD1 4.25Å; L71-L84 HydrophobicContact CD2-CD2 3.63Å
72N89.9Confident88.9Confident64 Ų6440.7 Ų40.734%0.34224%0.236SC..Hα-helixtrans-64-50.5172.2-70.5-16.1000111.4R19 V68 E69 L70 T76R19-N72 PolarHBondContact NH1-OD1 3.04Å; V68-N72 PolarHBondContact O-N 3.19Å; V68-N72 PolarHBondContact O-ND2 3.04Å; V68-N72 PolarHBondContact O-OD1 2.99Å; E69-N72 WeakPolarHBondContact O-CB 3.3Å; E69-N72 PolarHBondContact O-N 2.81Å; L70-N72 VanDerWaalsContact C-N 3.33Å; N72-T76 WeakPolarHBondContact O-CG2 3.37Å
73D90.2Very high89.5Confident48 Ų4839.1 Ų39.126%0.25723%0.229SC..Hα-helixtrans-67.9-45.8-178.5-177.284.7000112R47 Y48 F56 E69 L70 T76R47-D73 IonicContact NH2-OD2 2.99Å; Y48-D73 WeakPolarHBondContact CE1-OD2 3.41Å; Y48-D73 VanDerWaalsContact CZ-OD2 3.27Å; Y48-D73 PolarHBondContact OH-OD2 3.3Å; F56-D73 HydrophobicContact CZ-CB 4.5Å; E69-D73 WeakPolarHBondContact O-CB 3.43Å; E69-D73 PolarHBondContact O-N 3.46Å; L70-D73 PolarHBondContact O-N 2.65Å; D73-T76 PolarHBondContact O-N 3.1Å; D73-T76 PolarHBondContact O-OG1 2.91Å
74W90.5Very high89.9Confident13 Ų1335.6 Ų35.65%0.04919%0.192CC..Hα-helixtrans-68.8-39.5179.3-17221.9000111.4I11 I39 Y48 L70 T76 T77 C79 E83 L84 I87I11-W74 HydrophobicContact CD1-CD2 3.74Å; I11-W74 HydrophobicContact CD1-CE3 3.35Å; I11-W74 HydrophobicContact CD1-CH2 3.74Å; I11-W74 HydrophobicContact CD1-CZ2 4.1Å; I11-W74 HydrophobicContact CD1-CZ3 3.37Å; I39-W74 HydrophobicContact CD1-CD2 3.69Å; I39-W74 HydrophobicContact CD1-CE3 3.55Å; I39-W74 HydrophobicContact CD1-CG 4.12Å; I39-W74 HydrophobicContact CD1-CZ3 4.06Å; I39-W74 HydrophobicContact CG1-CD2 4.11Å; I39-W74 HydrophobicContact CG1-CE3 4.05Å; I39-W74 HydrophobicContact CG1-CH2 4.28Å; I39-W74 HydrophobicContact CG1-CZ2 4.32Å; I39-W74 HydrophobicContact CG1-CZ3 4.12Å; I39-W74 HydrophobicContact CG2-CD2 4.04Å; I39-W74 HydrophobicContact CG2-CG 4.23Å; I39-W74 HydrophobicContact CG2-CZ2 4.1Å; Y48-W74 PolarHBondContact OH-N 3.13Å; L70-W74 WeakPolarHBondContact O-CB 3.29Å; L70-W74 PolarHBondContact O-N 3.21Å; W74-T76 PolarHBondContact O-N 3.37Å; W74-T77 PolarHBondContact O-N 3.22Å; W74-T77 PolarHBondContact O-OG1 3.09Å; W74-C79 VanDerWaalsContact C-SG 3.58Å; W74-C79 HydrophobicContact CD2-CB 4.33Å; W74-C79 HydrophobicContact CZ2-CB 3.84Å; W74-C79 VanDerWaalsContact NE1-CB 3.35Å; W74-C79 PolarHBondContact O-SG 3.05Å; W74-E83 HydrophobicContact CH2-CB 4.19Å; W74-E83 HydrophobicContact CZ2-CB 4.24Å; W74-L84 HydrophobicContact CH2-CB 4.14Å; W74-L84 HydrophobicContact CZ3-CB 3.86Å; W74-L84 HydrophobicContact CZ3-CD1 3.86Å; W74-L84 HydrophobicContact CZ3-CG 4.38Å; W74-I87 HydrophobicContact CH2-CD1 3.68Å; W74-I87 HydrophobicContact CZ2-CD1 4.31Å; W74-I87 HydrophobicContact CZ3-CD1 4.26Å
75G86.2Confident90.1Very high2 Ų230.7 Ų30.72%0.02117%0.171CC..THydrogen-bonded Turntrans-61.5-13178.100000115R12 L71 T77R12-G75 WeakPolarHBondContact CB-O 3.42Å; L71-G75 WeakPolarHBondContact O-CA 3.32Å; L71-G75 PolarHBondContact O-N 3.03Å; G75-T77 PolarHBondContact O-N 3.09Å
76T85.1Confident90Very high98 Ų9834.1 Ų34.160%0.60119%0.187SC*.THydrogen-bonded Turntrans-65.6-15.3168.865.90000113.2N72 D73 W74N72-T76 WeakPolarHBondContact O-CG2 3.37Å; D73-T76 PolarHBondContact O-N 3.1Å; D73-T76 PolarHBondContact O-OG1 2.91Å; W74-T76 PolarHBondContact O-N 3.37Å
77T83.8Confident90Very high42 Ų4235 Ų3526%0.25819%0.191SC..SBendtrans-94.1169.1173.164.20000112W74 G75 C79W74-T77 PolarHBondContact O-N 3.22Å; W74-T77 PolarHBondContact O-OG1 3.09Å; G75-T77 PolarHBondContact O-N 3.09Å; T77-C79 PolarHBondContact O-N 3.33Å; T77-C79 WeakPolarHBondContact OG1-CB 3.45Å; T77-C79 PolarHBondContact OG1-SG 3.32Å
78N84.6Confident89.9Confident114 Ų11434.8 Ų34.861%0.6119%0.19SC*.SBendtrans-77.241.3172.9-70-23000111.7Y10 R12Y10-N78 HydrophobicContact CD1-CB 4.47Å; Y10-N78 HydrophobicContact CE1-CB 3.86Å; R12-N78 PolarHBondContact NH2-OD1 2.91Å
79C86.4Confident89.7Confident3 Ų337.9 Ų37.92%0.0220%0.202CC..  trans-83.2146.1177.957.60000111.5Y10 I11 W74 T77 E83Y10-C79 WeakPolarHBondContact CA-O 3.14Å; I11-C79 HydrophobicContact CD1-CB 4.11Å; I11-C79 VanDerWaalsContact CD1-SG 3.56Å; I11-C79 HydrophobicContact CG1-CB 4.49Å; I11-C79 PolarHBondContact N-O 3.26Å; W74-C79 VanDerWaalsContact C-SG 3.58Å; W74-C79 HydrophobicContact CD2-CB 4.33Å; W74-C79 HydrophobicContact CZ2-CB 3.84Å; W74-C79 VanDerWaalsContact NE1-CB 3.35Å; W74-C79 PolarHBondContact O-SG 3.05Å; T77-C79 PolarHBondContact O-N 3.33Å; T77-C79 WeakPolarHBondContact OG1-CB 3.45Å; T77-C79 PolarHBondContact OG1-SG 3.32Å; C79-E83 WeakPolarHBondContact CA-OE2 3.38Å; C79-E83 WeakPolarHBondContact CB-OE2 3.43Å
80T92.2Very high89.5Confident32 Ų3238.9 Ų38.920%0.19622%0.217CC..BIsolated β-bridgetrans-109159.7-171.469.50000112.4S7 S9 Y10 I11 G82 E83 L84S7-T80 WeakPolarHBondContact O-CB 3.49Å; S7-T80 PolarHBondContact O-OG1 3.39Å; S9-T80 CarbonylContact O-C 3.5Å; S9-T80 VanDerWaalsContact O-CA 3.3Å; S9-T80 WeakPolarHBondContact O-CA 3.48Å; Y10-T80 HydrophobicContact CD1-CG2 4.48Å; I11-T80 WeakPolarHBondContact CG1-O 3.42Å; T80-G82 PolarHBondContact O-N 3.46Å; T80-E83 PolarHBondContact N-OE2 2.75Å; T80-E83 PolarHBondContact O-N 2.91Å; T80-E83 WeakPolarHBondContact OG1-CG 3.48Å; T80-E83 PolarHBondContact OG1-N 3.32Å; T80-L84 PolarHBondContact O-N 3.26Å
81V90.1Very high89.2Confident0 Ų043.5 Ų43.50%023%0.234CC..Hα-helixtrans-59.4-34.8172.3172.40000110.4L5 S9 I14 L84 V85 L100 L101L5-V81 HydrophobicContact CD2-CG2 4.12Å; S9-V81 WeakPolarHBondContact O-CG2 2.93Å; S9-V81 PolarHBondContact O-N 3.23Å; I14-V81 HydrophobicContact CD1-CG2 3.97Å; I14-V81 HydrophobicContact CG1-CG2 3.87Å; V81-L84 PolarHBondContact O-N 3.34Å; V81-V85 HydrophobicContact CG1-CG2 4.3Å; V81-V85 WeakPolarHBondContact O-CB 3.44Å; V81-V85 VanDerWaalsContact O-CG2 3.3Å; V81-V85 WeakPolarHBondContact O-CG2 3.36Å; V81-V85 PolarHBondContact O-N 3.28Å; V81-L100 HydrophobicContact CG1-CB 4.06Å; V81-L100 HydrophobicContact CG1-CD1 4.47Å; V81-L100 HydrophobicContact CG1-CD2 4.2Å; V81-L100 HydrophobicContact CG1-CG 4.48Å; V81-L101 HydrophobicContact CG1-CD1 4.47Å; V81-L101 HydrophobicContact CG1-CD2 4.42Å; V81-L101 HydrophobicContact CG1-CG 4.24Å
82G88.8Confident89Confident11 Ų1149.2 Ų49.211%0.11326%0.264CS..Hα-helixtrans-58.9-47.4173.700000112.8S7 T80 L84 V85 D86S7-G82 PolarHBondContact O-N 2.87Å; T80-G82 PolarHBondContact O-N 3.46Å; G82-L84 VanDerWaalsContact C-N 3.31Å; G82-L84 PolarHBondContact O-N 3.29Å; G82-V85 PolarHBondContact O-N 3.43Å; G82-V85 VanDerWaalsContact O-N 3.14Å; G82-D86 PolarHBondContact O-N 3.21Å
83E91.1Very high88.9Confident88 Ų8847 Ų4741%0.41125%0.253SS..Hα-helixtrans-61.1-39.3177.4-69.2172.915200112.3W74 C79 T80 I87W74-E83 HydrophobicContact CH2-CB 4.19Å; W74-E83 HydrophobicContact CZ2-CB 4.24Å; C79-E83 WeakPolarHBondContact CA-OE2 3.38Å; C79-E83 WeakPolarHBondContact CB-OE2 3.43Å; T80-E83 PolarHBondContact N-OE2 2.75Å; T80-E83 PolarHBondContact O-N 2.91Å; T80-E83 WeakPolarHBondContact OG1-CG 3.48Å; T80-E83 PolarHBondContact OG1-N 3.32Å; E83-I87 WeakPolarHBondContact O-CG1 3.3Å; E83-I87 PolarHBondContact O-N 3.48Å; E83-I87 VanDerWaalsContact O-N 3.15Å
84L92.5Very high88.6Confident2 Ų248.4 Ų48.41%0.0126%0.26CS..Hα-helixtrans-64.7-44.7174.4173.559000111.2I11 I14 L22 V35 L71 W74 T80 V81 G82 D86 I87 L88 L100I11-L84 HydrophobicContact CD1-CB 3.9Å; I11-L84 HydrophobicContact CD1-CD2 4.32Å; I14-L84 HydrophobicContact CD1-CD2 4.24Å; L22-L84 HydrophobicContact CD1-CD2 4.46Å; V35-L84 HydrophobicContact CG1-CD1 4.24Å; L71-L84 HydrophobicContact CD2-CD1 4.25Å; L71-L84 HydrophobicContact CD2-CD2 3.63Å; W74-L84 HydrophobicContact CH2-CB 4.14Å; W74-L84 HydrophobicContact CZ3-CB 3.86Å; W74-L84 HydrophobicContact CZ3-CD1 3.86Å; W74-L84 HydrophobicContact CZ3-CG 4.38Å; T80-L84 PolarHBondContact O-N 3.26Å; V81-L84 PolarHBondContact O-N 3.34Å; G82-L84 VanDerWaalsContact C-N 3.31Å; G82-L84 PolarHBondContact O-N 3.29Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 2.85Å; L84-I87 PolarHBondContact O-N 3.33Å; L84-L88 HydrophobicContact CD1-CD1 4.11Å; L84-L88 HydrophobicContact CD1-CG 4.16Å; L84-L88 HydrophobicContact CG-CD1 4.07Å; L84-L88 VanDerWaalsContact O-CG 3.25Å; L84-L88 WeakPolarHBondContact O-CG 3.07Å; L84-L88 PolarHBondContact O-N 2.93Å; L84-L100 HydrophobicContact CD2-CD1 3.51Å; L84-L100 HydrophobicContact CG-CD1 3.78Å
85V91.6Very high88.3Confident1 Ų150.3 Ų50.31%0.00628%0.278CS..Hα-helixtrans-62.3-40.1178.1166.80000111.6V81 G82 L88 K89 A97 L100 L101V81-V85 HydrophobicContact CG1-CG2 4.3Å; V81-V85 WeakPolarHBondContact O-CB 3.44Å; V81-V85 VanDerWaalsContact O-CG2 3.3Å; V81-V85 WeakPolarHBondContact O-CG2 3.36Å; V81-V85 PolarHBondContact O-N 3.28Å; G82-V85 PolarHBondContact O-N 3.43Å; G82-V85 VanDerWaalsContact O-N 3.14Å; V85-L88 PolarHBondContact O-N 3.3Å; V85-K89 HydrophobicContact CG1-CD 4.02Å; V85-K89 HydrophobicContact CG1-CG 4.37Å; V85-K89 WeakPolarHBondContact O-CB 3.46Å; V85-K89 WeakPolarHBondContact O-CG 3.43Å; V85-K89 PolarHBondContact O-N 3.13Å; V85-A97 HydrophobicContact CG1-CB 4.31Å; V85-L100 HydrophobicContact CG2-CB 3.75Å; V85-L100 HydrophobicContact CG2-CD1 3.89Å; V85-L100 HydrophobicContact CG2-CG 4.49Å; V85-L101 HydrophobicContact CB-CD1 4.44Å; V85-L101 HydrophobicContact CG1-CD1 4.46Å; V85-L101 HydrophobicContact CG2-CD1 3.98Å; V85-L101 HydrophobicContact CG2-CG 4.18Å
86D90.6Very high88.3Confident100 Ų10050.3 Ų50.354%0.53528%0.278SS..Hα-helixtrans-64.1-42.7177-71.7-22.3000111.8G82 L84 K89 S90G82-D86 PolarHBondContact O-N 3.21Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 2.85Å; D86-K89 PolarHBondContact O-N 3.42Å; D86-S90 WeakPolarHBondContact O-CB 3.38Å; D86-S90 PolarHBondContact O-N 3.22Å
87I92.5Very high88.5Confident21 Ų2146 Ų4611%0.10825%0.252CS..Hα-helixtrans-60.7-47.3173.8-69.9172.9000110.2V35 I39 W74 E83 L84 K89 S90 R91V35-I87 HydrophobicContact CB-CG2 4.46Å; V35-I87 HydrophobicContact CG1-CG2 4.03Å; I39-I87 HydrophobicContact CG1-CD1 3.85Å; W74-I87 HydrophobicContact CH2-CD1 3.68Å; W74-I87 HydrophobicContact CZ2-CD1 4.31Å; W74-I87 HydrophobicContact CZ3-CD1 4.26Å; E83-I87 WeakPolarHBondContact O-CG1 3.3Å; E83-I87 PolarHBondContact O-N 3.48Å; E83-I87 VanDerWaalsContact O-N 3.15Å; L84-I87 PolarHBondContact O-N 3.33Å; I87-K89 PolarHBondContact O-N 3.03Å; I87-S90 PolarHBondContact O-N 3.45Å; I87-S90 PolarHBondContact O-OG 3.44Å; I87-R91 WeakPolarHBondContact O-CG 3.44Å; I87-R91 PolarHBondContact O-N 2.95Å; I87-R91 VanDerWaalsContact O-N 3.13Å
88L91.2Very high88.5Confident0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-61.1-44.2179.3-68.3171.4000111.7L26 V35 L84 V85 R91 N92 L93 A96 A97 L100L26-L88 HydrophobicContact CD1-CD2 4.08Å; L26-L88 HydrophobicContact CD2-CD2 3.97Å; V35-L88 HydrophobicContact CG2-CD2 3.87Å; L84-L88 HydrophobicContact CD1-CD1 4.11Å; L84-L88 HydrophobicContact CD1-CG 4.16Å; L84-L88 HydrophobicContact CG-CD1 4.07Å; L84-L88 VanDerWaalsContact O-CG 3.25Å; L84-L88 WeakPolarHBondContact O-CG 3.07Å; L84-L88 PolarHBondContact O-N 2.93Å; V85-L88 PolarHBondContact O-N 3.3Å; L88-R91 PolarHBondContact O-N 3.31Å; L88-N92 PolarHBondContact O-N 3Å; L88-L93 HydrophobicContact CB-CB 4.16Å; L88-L93 HydrophobicContact CD2-CB 3.88Å; L88-L93 HydrophobicContact CD2-CD1 3.69Å; L88-L93 HydrophobicContact CD2-CG 4.44Å; L88-L93 WeakPolarHBondContact O-CB 3.36Å; L88-L93 PolarHBondContact O-N 2.98Å; L88-A96 HydrophobicContact CD1-CB 4.02Å; L88-A96 HydrophobicContact CD2-CB 4.15Å; L88-A97 HydrophobicContact CB-CB 4.05Å; L88-L100 HydrophobicContact CD1-CD1 3.97Å
89K87.9Confident88.6Confident83 Ų8348.2 Ų48.236%0.36125%0.25SS..Hα-helixtrans-60.9-45.7174.8-73.7175-178.1170.80111.1V85 D86 I87 R91 N92 L94 A97 E104V85-K89 HydrophobicContact CG1-CD 4.02Å; V85-K89 HydrophobicContact CG1-CG 4.37Å; V85-K89 WeakPolarHBondContact O-CB 3.46Å; V85-K89 WeakPolarHBondContact O-CG 3.43Å; V85-K89 PolarHBondContact O-N 3.13Å; D86-K89 PolarHBondContact O-N 3.42Å; I87-K89 PolarHBondContact O-N 3.03Å; K89-R91 PolarHBondContact O-N 3.4Å; K89-N92 PolarHBondContact O-N 3.31Å; K89-L94 HydrophobicContact CG-CD2 4.47Å; K89-A97 HydrophobicContact CG-CB 4.25Å; K89-E104 IonicContact NZ-OE2 2.65Å; K89-E104 PolarHBondContact NZ-OE2 2.87Å
90S88.1Confident88.6Confident87 Ų8748.2 Ų48.261%0.60825%0.25SC*.Hα-helixtrans-62.3-24.3179.678.90000113.8D86 I87D86-S90 WeakPolarHBondContact O-CB 3.38Å; D86-S90 PolarHBondContact O-N 3.22Å; I87-S90 PolarHBondContact O-N 3.45Å; I87-S90 PolarHBondContact O-OG 3.44Å
91R88.3Confident88.2Confident99 Ų9947.7 Ų47.737%0.37425%0.246SC..THydrogen-bonded Turntrans-100.811.8177.9-61.4-60.3-174.9170.81.6113.5R31 D34 S38 I87 L88 K89 L93R31-R91 PolarHBondContact NH2-O 3.1Å; D34-R91 HydrophobicContact CB-CB 4.39Å; D34-R91 HydrophobicContact CB-CG 4.14Å; D34-R91 PolarHBondContact O-NE 2.93Å; S38-R91 VanDerWaalsContact OG-CZ 3.24Å; S38-R91 PolarHBondContact OG-NE 3.44Å; S38-R91 PolarHBondContact OG-NH2 2.97Å; I87-R91 WeakPolarHBondContact O-CG 3.44Å; I87-R91 PolarHBondContact O-N 2.95Å; I87-R91 VanDerWaalsContact O-N 3.13Å; L88-R91 PolarHBondContact O-N 3.31Å; K89-R91 PolarHBondContact O-N 3.4Å; R91-L93 VanDerWaalsContact C-N 3.25Å; R91-L93 HydrophobicContact CB-CD1 3.93Å; R91-L93 HydrophobicContact CB-CG 4.17Å; R91-L93 PolarHBondContact O-N 3.21Å
92N87.5Confident87.1Confident125 Ų12552.1 Ų52.167%0.66828%0.275SS*.THydrogen-bonded Turntrans58.731.6-178.3-159.832.3000113.9L88 K89 L94L88-N92 PolarHBondContact O-N 3Å; K89-N92 PolarHBondContact O-N 3.31Å; N92-L94 VanDerWaalsContact C-N 3.34Å; N92-L94 PolarHBondContact O-N 2.9Å
93L87.7Confident85.6Confident19 Ų1963.3 Ų63.310%0.09931%0.313CS..  trans-95.155.4178.3-63.8166.9000110.8L26 R31 V35 L88 R91 A95 A96 A97L26-L93 HydrophobicContact CD2-CD1 3.71Å; L26-L93 HydrophobicContact CD2-CD2 4.17Å; L26-L93 HydrophobicContact CD2-CG 4.38Å; R31-L93 HydrophobicContact CB-CD2 4.15Å; R31-L93 HydrophobicContact CG-CD2 4.41Å; V35-L93 HydrophobicContact CG2-CD1 3.91Å; L88-L93 HydrophobicContact CB-CB 4.16Å; L88-L93 HydrophobicContact CD2-CB 3.88Å; L88-L93 HydrophobicContact CD2-CD1 3.69Å; L88-L93 HydrophobicContact CD2-CG 4.44Å; L88-L93 WeakPolarHBondContact O-CB 3.36Å; L88-L93 PolarHBondContact O-N 2.98Å; R91-L93 VanDerWaalsContact C-N 3.25Å; R91-L93 HydrophobicContact CB-CD1 3.93Å; R91-L93 HydrophobicContact CB-CG 4.17Å; R91-L93 PolarHBondContact O-N 3.21Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.4Å; L93-A96 PolarHBondContact O-N 3.25Å; L93-A97 PolarHBondContact O-N 2.88Å; L93-A97 VanDerWaalsContact O-N 3.15Å
94L84.8Confident83.7Confident77 Ų7764.1 Ų64.140%0.40332%0.317SS..Hα-helixtrans-65.7-30.8-168.6-57.3179.2000113.9K89 N92 A97 R98K89-L94 HydrophobicContact CG-CD2 4.47Å; N92-L94 VanDerWaalsContact C-N 3.34Å; N92-L94 PolarHBondContact O-N 2.9Å; L94-A97 PolarHBondContact O-N 3.39Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 VanDerWaalsContact O-CG 3.26Å; L94-R98 WeakPolarHBondContact O-CG 3.37Å; L94-R98 PolarHBondContact O-N 2.94Å
95A83.4Confident81.3Confident53 Ų5370.7 Ų70.744%0.43835%0.348SS..Hα-helixtrans-66.1-45.1177.600000112F25 L93 A97 R98 L99F25-A95 HydrophobicContact CD1-CB 3.98Å; F25-A95 HydrophobicContact CE1-CB 3.85Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.4Å; A95-A97 VanDerWaalsContact C-N 3.35Å; A95-R98 PolarHBondContact O-N 3.16Å; A95-L99 PolarHBondContact O-N 2.85Å
96A87.1Confident78.5Confident2 Ų281.8 Ų81.82%0.01739%0.391CS..Hα-helixtrans-66.3-36.8175.500000111.9L22 F25 L26 L88 L93 L99L22-A96 HydrophobicContact CD2-CB 3.97Å; F25-A96 HydrophobicContact CB-CB 4.17Å; L26-A96 HydrophobicContact CD2-CB 4.28Å; L26-A96 HydrophobicContact CG-CB 4.48Å; L88-A96 HydrophobicContact CD1-CB 4.02Å; L88-A96 HydrophobicContact CD2-CB 4.15Å; L93-A96 PolarHBondContact O-N 3.25Å; A96-L99 WeakPolarHBondContact O-CB 3.45Å; A96-L99 PolarHBondContact O-N 3.02Å
97A87.4Confident75.7Confident6 Ų682.6 Ų82.65%0.0541%0.405CS..Hα-helixtrans-64.2-43175.100000112.4V85 L88 K89 L93 L94 A95 L99 L100 L101V85-A97 HydrophobicContact CG1-CB 4.31Å; L88-A97 HydrophobicContact CB-CB 4.05Å; K89-A97 HydrophobicContact CG-CB 4.25Å; L93-A97 PolarHBondContact O-N 2.88Å; L93-A97 VanDerWaalsContact O-N 3.15Å; L94-A97 PolarHBondContact O-N 3.39Å; A95-A97 VanDerWaalsContact C-N 3.35Å; A97-L99 VanDerWaalsContact C-N 3.27Å; A97-L99 PolarHBondContact O-N 3.37Å; A97-L100 PolarHBondContact O-N 2.86Å; A97-L101 PolarHBondContact O-N 3.21Å; A97-L101 VanDerWaalsContact O-N 3.15Å
98R84.6Confident73Confident158 Ų15887.4 Ų87.460%0.59644%0.44SS*.Hα-helixtrans-64.9-28.7177.5-76172.3177.5177.5-3113.3L94 A95 L100 P102L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 VanDerWaalsContact O-CG 3.26Å; L94-R98 WeakPolarHBondContact O-CG 3.37Å; L94-R98 PolarHBondContact O-N 2.94Å; A95-R98 PolarHBondContact O-N 3.16Å; R98-L100 VanDerWaalsContact C-N 3.3Å; R98-P102 WeakPolarHBondContact O-CA 3.46Å
99L87.3Confident70Confident45 Ų4591.6 Ų91.624%0.23648%0.475CS..Hα-helixtrans-65.2-34.7175.2-169.8113.3000112.1L18 Q21 L22 F25 A95 A96 A97L18-L99 HydrophobicContact CD1-CD2 3.39Å; L18-L99 HydrophobicContact CD1-CG 3.8Å; L18-L99 HydrophobicContact CG-CD2 3.89Å; Q21-L99 HydrophobicContact CB-CD1 3.92Å; Q21-L99 HydrophobicContact CB-CD2 3.91Å; L22-L99 HydrophobicContact CD2-CD2 3.7Å; L22-L99 HydrophobicContact CG-CD2 3.62Å; F25-L99 HydrophobicContact CE2-CD1 3.91Å; A95-L99 PolarHBondContact O-N 2.85Å; A96-L99 WeakPolarHBondContact O-CB 3.45Å; A96-L99 PolarHBondContact O-N 3.02Å; A97-L99 VanDerWaalsContact C-N 3.27Å; A97-L99 PolarHBondContact O-N 3.37Å
100L85.2Confident67.5Low3 Ų396.4 Ų96.42%0.01650%0.499CS..Hα-helixtrans-83.2-44.3-178.9-75.7170.6000113.1I14 L18 L22 V81 L84 V85 L88 A97 R98I14-L100 HydrophobicContact CD1-CD2 4.06Å; L18-L100 HydrophobicContact CD2-CD2 3.9Å; L18-L100 HydrophobicContact CG-CD2 4.5Å; L22-L100 HydrophobicContact CD1-CD1 4.13Å; L22-L100 HydrophobicContact CD1-CD2 3.89Å; L22-L100 HydrophobicContact CD1-CG 4.13Å; L22-L100 HydrophobicContact CD2-CD1 4.17Å; L22-L100 HydrophobicContact CD2-CG 4.14Å; V81-L100 HydrophobicContact CG1-CB 4.06Å; V81-L100 HydrophobicContact CG1-CD1 4.47Å; V81-L100 HydrophobicContact CG1-CD2 4.2Å; V81-L100 HydrophobicContact CG1-CG 4.48Å; L84-L100 HydrophobicContact CD2-CD1 3.51Å; L84-L100 HydrophobicContact CG-CD1 3.78Å; V85-L100 HydrophobicContact CG2-CB 3.75Å; V85-L100 HydrophobicContact CG2-CD1 3.89Å; V85-L100 HydrophobicContact CG2-CG 4.49Å; L88-L100 HydrophobicContact CD1-CD1 3.97Å; A97-L100 PolarHBondContact O-N 2.86Å; R98-L100 VanDerWaalsContact C-N 3.3Å
101L84.6Confident64.7Low22 Ų2299.1 Ų99.112%0.11551%0.512CS..  trans-134.390.4-179.5-64.4176.7000109.6V81 V85 A97 W103V81-L101 HydrophobicContact CG1-CD1 4.47Å; V81-L101 HydrophobicContact CG1-CD2 4.42Å; V81-L101 HydrophobicContact CG1-CG 4.24Å; V85-L101 HydrophobicContact CB-CD1 4.44Å; V85-L101 HydrophobicContact CG1-CD1 4.46Å; V85-L101 HydrophobicContact CG2-CD1 3.98Å; V85-L101 HydrophobicContact CG2-CG 4.18Å; A97-L101 PolarHBondContact O-N 3.21Å; A97-L101 VanDerWaalsContact O-N 3.15Å; L101-W103 VanDerWaalsContact C-N 3.27Å; L101-W103 PolarHBondContact O-N 2.86Å
102P66.8Low61.9Low93 Ų93101.7 Ų101.760%0.60453%0.528SS*.THydrogen-bonded Turntrans-70.3-14.7-174-19.731.1000115.6R98R98-P102 WeakPolarHBondContact O-CA 3.46Å
103W56.8Low59.2Low245 Ų245102.3 Ų102.393%0.92853%0.53SS*.THydrogen-bonded Turntrans-110.76.6-167.5-73.886.5000115.4L101 E105L101-W103 VanDerWaalsContact C-N 3.27Å; L101-W103 PolarHBondContact O-N 2.86Å; W103-E105 PolarHBondContact O-N 3.44Å
104E51.8Low56.3Low106 Ų106108.7 Ų108.750%0.49556%0.564SS.*  trans-89.370.2171.2-73.2-170.4176.500111.5K89K89-E104 IonicContact NZ-OE2 2.65Å; K89-E104 PolarHBondContact NZ-OE2 2.87Å
105E42Very low54.2Low140 Ų140109.6 Ų109.665%0.65457%0.574SS**  trans-94.2122151.7-80-168.9163.400108.3W103W103-E105 PolarHBondContact O-N 3.44Å
106Y34.1Very low52Low233 Ų233114 Ų11491%0.91459%0.59SS**  trans147.393.6147.8-78.9-63.9000110.8
107S31Very low49.3Very low117 Ų117119.9 Ų119.982%0.81863%0.628SS**  176.2101.2115.3-167.70000109.4
108S35.1Very low46.6Very low122 Ų122126.8 Ų126.885%0.85366%0.663SS**  trans-76.3124.8161.644.60000109.4
109A28.7Very low45.3Very low89 Ų89124.1 Ų124.174%0.73667%0.666SS**  trans-149.497.8154.500000109.8
110E34.8Very low43.1Very low184 Ų184128 Ų12886%0.8669%0.694SS**  trans-56.6135.6153.4-68.9170.3134.100109.4
111T30.1Very low40.5Very low144 Ų144134.4 Ų134.488%0.88373%0.729SS**  trans-150133143.4-25.70000111.6
112H30.1Very low38Very low153 Ų153145.3 Ų145.371%0.70877%0.768SS**  trans-75.2154.6-173.8-101.6-80000115.1
113L29.4Very low36.1Very low137 Ų137147.9 Ų147.972%0.71778%0.777SS**  trans72.8138.9140.8-66.6169.2000117.7
114L28.3Very low35.6Very low153 Ų153141.4 Ų141.480%0.80177%0.766SS**  cis-168.2-178.916.9-99.4164.9000109.5
115P40.3Very low35.6Very low96 Ų96141.4 Ų141.462%0.62378%0.775SS**  trans-116.5168.2-148.742.6-34.9000119
116L36.5Very low35.1Very low147 Ų147141.8 Ų141.877%0.7779%0.788SS**  trans64.7149.5151.5-81162.6000118.5
117P31Very low35.1Very low125 Ų125141.8 Ų141.881%0.81279%0.786SS**  -152.4163.263.736.1-12.2000119.7
118L29.3Very low35.7Very low150 Ų150141 Ų14179%0.78578%0.778SS**  trans-92.4-174.6158.3-81.6160.5000109.5
119P58.9Low35.5Very low102 Ų102143.5 Ų143.566%0.66278%0.781SS**  cis-125.4-155-46.833.2-11.1000109.4
120P39.5Very low35.5Very low126 Ų126142.7 Ų142.782%0.81878%0.782SS**  -151.516181.536.5-15000118
121D32.3Very low35.3Very low139 Ų139142 Ų14274%0.74378%0.778SS**  trans-57.4159.6167-78.5-47.6000115.8
122R31.3Very low35.1Very low250 Ų250142 Ų14294%0.94378%0.779SS**  -173.1112.7122.3-98.9169.8-169.6-143.73.7113.8
123D27.4Very low35.1Very low147 Ų147142 Ų14279%0.78678%0.778SS**  trans-38.3-175.8151.4-85.6-25.7000117.7
124P45.4Very low35Very low109 Ų109140.3 Ų140.371%0.70878%0.778SS**  cis-140.5-133.4-45.540.4-18.9000110.4
125P52.8Low35.1Very low106 Ų106141.8 Ų141.869%0.68878%0.781SS**  -123.9170.6-65.831.7-12.9000113.9
126T31.5Very low34.9Very low149 Ų149142.2 Ų142.291%0.91478%0.784SS**  trans-168.5140.3130.36.60000114.8
127R33Very low35.2Very low233 Ų233140.6 Ų140.688%0.87978%0.782SS**  trans-71.8-168.6176.5-84.9178.5162.7-179.1-4.1114.1
128P44.8Very low35.4Very low101 Ų101141 Ų14166%0.65679%0.785SS**  -141.7-160.1-5443-24.3000112.5
129L29.8Very low35.3Very low174 Ų174138.8 Ų138.891%0.91179%0.788SS**  trans100.8130.3164.3-71.1129.3000115.8
130G29.3Very low33.7Very low72 Ų72137.4 Ų137.474%0.74279%0.793SS**  cis-154.9159.317.900000114.5
131E29.6Very low33.2Very low168 Ų168137.1 Ų137.179%0.78579%0.794SS**  trans-75.9154.3175.4-58.5167.7135.400111.3
132T27.6Very low33.2Very low146 Ų146134.9 Ų134.990%0.89680%0.795SS**  -155.2133.8120-44.70000110
133Q28.8Very low33.3Very low151 Ų151128.7 Ų128.771%0.70679%0.787SS**  trans-76.4147.5-179.2-61.3173-0.800111.5
134S27.3Very low33.3Very low102 Ų102130.4 Ų130.471%0.71379%0.79SS**  63.7138.1104.296.20000114.4
135Q29.6Very low32.5Very low184 Ų184131.5 Ų131.586%0.8680%0.795SS**  cis-168.7-17532.6-115-158-18.800109.6
136P36.5Very low31.3Very low106 Ų106135 Ų13569%0.68880%0.802SS**  trans-108.9-148.5-155.639.2-23.2000114.8
137P44Very low31.1Very low112 Ų112133.9 Ų133.973%0.72780%0.795SS**  -109.1-168.2-75.936-17.7000112.5
138P34.6Very low30.9Very low133 Ų133130.7 Ų130.786%0.86479%0.794SS**  -145.5172.7120.834.9-17.1000116.4
139A27.5Very low30.2Very low104 Ų104130.9 Ų130.986%0.8680%0.798SS**  trans-83.6173.3-168.500000116.9
140G25.8Very low30.2Very low74 Ų74130.1 Ų130.176%0.76380%0.795SS**  trans109.6131.8169.900000111
141S29.2Very low30.3Very low120 Ų120134.5 Ų134.584%0.83980%0.801SS**  cis-172.1152.918.6270000107.9
142A31.3Very low30.6Very low92 Ų92131.9 Ų131.976%0.7680%0.801SS**  trans-64.4163.817300000113.2
143P33.3Very low31.2Very low120 Ų120133.5 Ų133.578%0.77980%0.799SS**  -137.2127.1119.330.9-15.2000111.4
144E26.8Very low31.5Very low183 Ų183132.4 Ų132.486%0.85580%0.803SS**  66.6104.585.8-87.1-173.617500115.4
145T29.6Very low32.1Very low131 Ų131131.1 Ų131.180%0.80481%0.806SS**  trans-50.2125.2166.7-44.30000112.3V147T145-V147 HydrophobicContact CG2-CG2 4.29Å
146Q26.7Very low32.3Very low180 Ų180131 Ų13184%0.84180%0.804SS**  trans-111108.5163.8-72.4-165.3-8.300110.4
147V28.3Very low32.8Very low125 Ų125133.5 Ų133.576%0.75882%0.818SS**  trans-78.1113.7167.1178.80000106.9T145 S149T145-V147 HydrophobicContact CG2-CG2 4.29Å; V147-S149 PolarHBondContact O-N 2.84Å
148L28.1Very low33.5Very low167 Ų167130.6 Ų130.687%0.87481%0.808SS**  trans-87100.9166-77.8166.3000108.1
149S30.5Very low35.6Very low104 Ų104126 Ų12673%0.72778%0.778SS**  trans-74.9121.1161.451.20000108.8V147V147-S149 PolarHBondContact O-N 2.84Å
150D29Very low38.6Very low159 Ų159124 Ų12485%0.8576%0.757SS**  trans-131120.3161.8-138-6000109.1
151N33.4Very low41.7Very low164 Ų164124.7 Ų124.788%0.87775%0.751SS**  trans-130.1100.4-176-150.518.9000106.4
152S34.7Very low44.9Very low112 Ų112120.2 Ų120.278%0.78372%0.716SS**  trans-160.8136.5151.455.90000111.5
153Q40.1Very low47.9Very low180 Ų180120.7 Ų120.784%0.84170%0.704SS**  trans-65.4135.4179.6-65.4167.3-16.200110.9
154T35.7Very low50.9Low129 Ų129116.2 Ų116.279%0.79167%0.672SS**  170.6125120.536.90000109.9
155G39.8Very low54.2Low75 Ų75109.3 Ų109.377%0.77364%0.644SS**  trans42.872.1157.800000119.6
156H34.1Very low57.4Low180 Ų180107.2 Ų107.283%0.83363%0.625SS**  trans-143.4137.4161.1-80.1-67.7000111.3G158H156-G158 PolarHBondContact O-N 3.38Å
157T46.7Very low60.7Low159 Ų15998.7 Ų98.798%0.97559%0.585SS**  trans-65.361.2167.547.20000110.8
158G58.2Low63.9Low51 Ų5198.8 Ų98.853%0.52657%0.572SS.*  trans-106.1150.5178.500000111.5H156 S160H156-G158 PolarHBondContact O-N 3.38Å; G158-S160 PolarHBondContact O-N 2.67Å
159V78.4Confident67.2Low38 Ų3898.3 Ų98.323%0.2356%0.563CS.*PPolyproline II helixtrans-72.4120.4174.9175.30000108.8K232 M242 F245V159-K232 HydrophobicContact CB-CG 4.33Å; V159-K232 HydrophobicContact CG2-CG 3.8Å; V159-M242 HydrophobicContact CB-CE 4.12Å; V159-M242 HydrophobicContact CG1-CE 3.43Å; V159-M242 VanDerWaalsContact CG1-CE 3.43Å; V159-M242 HydrophobicContact CG1-CG 4.45Å; V159-M242 HydrophobicContact CG1-SD 4.2Å; V159-M242 HydrophobicContact CG2-CE 3.53Å; V159-F245 HydrophobicContact CG1-CD1 3.62Å; V159-F245 HydrophobicContact CG1-CE1 3.81Å
160S90.2Very high70.3Confident60 Ų6095.3 Ų95.342%0.4254%0.538SS..EExtended strand (participates in β ladder)trans-79.3146.1-176.9-620000112.7G158 V243 G244 F245G158-S160 PolarHBondContact O-N 2.67Å; S160-V243 PolarHBondContact N-O 2.87Å; S160-G244 CarbonylContact O-C 3.49Å; S160-G244 WeakPolarHBondContact O-CA 3.45Å; S160-F245 PolarHBondContact O-N 3.03Å
161S92.9Very high73.6Confident90 Ų9087.9 Ų87.963%0.62950%0.498SS*.EExtended strand (participates in β ladder)trans-91.9132.7164.8-170.20000109F245S161-F245 WeakPolarHBondContact CA-O 3.39Å
162F94.9Very high76.5Confident25 Ų2582.3 Ų82.311%0.1148%0.48CS..  trans-113.6153176.8-64.1-77.6000110.4L167 L199 V243 F245 S246 V255F162-L167 HydrophobicContact CB-CD1 4.44Å; F162-L167 HydrophobicContact CB-CD2 3.85Å; F162-L167 HydrophobicContact CB-CG 4.07Å; F162-L167 HydrophobicContact CD2-CD2 4.34Å; F162-L167 HydrophobicContact CG-CD2 4.02Å; F162-L199 HydrophobicContact CE1-CD1 4.04Å; F162-L199 HydrophobicContact CE1-CD2 3.79Å; F162-L199 HydrophobicContact CZ-CD2 3.61Å; F162-V243 HydrophobicContact CE2-CG1 4.31Å; F162-V243 HydrophobicContact CZ-CG1 4.17Å; F162-F245 PolarHBondContact N-O 3.24Å; F162-S246 VanDerWaalsContact O-CB 3.24Å; F162-S246 WeakPolarHBondContact O-CB 3.46Å; F162-V255 HydrophobicContact CD2-CG2 3.87Å; F162-V255 HydrophobicContact CE2-CB 4.26Å; F162-V255 HydrophobicContact CE2-CG2 4.05Å
163M95.8Very high79.4Confident103 Ų10381.7 Ų81.751%0.50747%0.468SS..  trans-79.5143.9166.6-60.5-177.371.800109.9S165 E166 L167 D248M163-S165 PolarHBondContact O-N 3.48Å; M163-E166 HydrophobicContact CB-CG 4.06Å; M163-E166 PolarHBondContact N-OE2 3.2Å; M163-E166 WeakPolarHBondContact O-CB 3.28Å; M163-E166 PolarHBondContact O-N 3.25Å; M163-L167 PolarHBondContact O-N 3.4Å; M163-D248 WeakPolarHBondContact CA-OD2 3.44Å
164Y95.8Very high82Confident25 Ų2573.7 Ų73.710%0.09843%0.43CS..Hα-helixtrans-57.2-38.1177179.7-108.1000111.5E166 L167 R168 F174 S246 D248 E249 Q251Y164-E166 VanDerWaalsContact C-N 3.27Å; Y164-E166 PolarHBondContact O-N 3.05Å; Y164-L167 PolarHBondContact O-N 3.44Å; Y164-R168 WeakPolarHBondContact O-CB 3.37Å; Y164-R168 PolarHBondContact O-N 3.15Å; Y164-F174 HydrophobicContact CD2-CE2 4.31Å; Y164-F174 HydrophobicContact CD2-CZ 4.34Å; Y164-F174 HydrophobicContact CE1-CE2 4.39Å; Y164-F174 HydrophobicContact CE2-CD2 4.43Å; Y164-F174 AromaticContact CE2-CE2 3.39Å; Y164-F174 HydrophobicContact CE2-CE2 3.39Å; Y164-F174 AromaticContact CE2-CZ 3.59Å; Y164-F174 HydrophobicContact CE2-CZ 3.59Å; Y164-F174 AromaticContact CZ-CE2 3.43Å; Y164-F174 VanDerWaalsContact CZ-CE2 3.43Å; Y164-F174 WeakPolarHBondContact OH-CD2 3.28Å; Y164-F174 WeakPolarHBondContact OH-CE2 3.41Å; Y164-S246 PolarHBondContact N-OG 3.32Å; Y164-D248 VanDerWaalsContact N-CG 3.26Å; Y164-D248 PolarHBondContact N-OD1 3.31Å; Y164-D248 PolarHBondContact N-OD2 3.33Å; Y164-E249 WeakPolarHBondContact CD1-OE2 3.31Å; Y164-Q251 HydrophobicContact CD1-CB 4.36Å; Y164-Q251 HydrophobicContact CD1-CG 4.09Å; Y164-Q251 HydrophobicContact CD2-CB 3.38Å; Y164-Q251 HydrophobicContact CD2-CG 3.92Å; Y164-Q251 HydrophobicContact CE1-CB 4.45Å; Y164-Q251 HydrophobicContact CE1-CG 3.9Å; Y164-Q251 HydrophobicContact CE2-CB 3.5Å; Y164-Q251 VanDerWaalsContact CE2-CB 3.5Å; Y164-Q251 HydrophobicContact CE2-CG 3.73Å; Y164-Q251 HydrophobicContact CG-CB 3.84Å; Y164-Q251 HydrophobicContact CG-CG 4.09Å
165S95.9Very high84.8Confident39 Ų3969.5 Ų69.527%0.27340%0.403SS..Hα-helixtrans-62.4-28.6176.270.80000114.1M163 K169M163-S165 PolarHBondContact O-N 3.48Å; S165-K169 VanDerWaalsContact O-CG 3.31Å; S165-K169 WeakPolarHBondContact O-CG 3.3Å; S165-K169 PolarHBondContact O-N 3.24Å
166E95.9Very high87.4Confident86 Ų8670.3 Ų70.340%0.40239%0.389SS..Hα-helixtrans-73.2-46.5173.3-65.4172.9145.600110.4M163 Y164 R168 K169 I170M163-E166 HydrophobicContact CB-CG 4.06Å; M163-E166 PolarHBondContact N-OE2 3.2Å; M163-E166 WeakPolarHBondContact O-CB 3.28Å; M163-E166 PolarHBondContact O-N 3.25Å; Y164-E166 VanDerWaalsContact C-N 3.27Å; Y164-E166 PolarHBondContact O-N 3.05Å; E166-R168 VanDerWaalsContact C-N 3.29Å; E166-R168 PolarHBondContact O-N 2.98Å; E166-K169 WeakPolarHBondContact O-CB 3.29Å; E166-K169 PolarHBondContact O-N 3.25Å; E166-I170 PolarHBondContact O-N 3.07Å
167L96.8Very high90.3Very high1 Ų168.2 Ų68.21%0.00537%0.374CS..Hα-helixtrans-59.7-42.9177.4-60.7-170000111.1F162 M163 Y164 K169 I170 T171 F174 V206 S246 C253 V255F162-L167 HydrophobicContact CB-CD1 4.44Å; F162-L167 HydrophobicContact CB-CD2 3.85Å; F162-L167 HydrophobicContact CB-CG 4.07Å; F162-L167 HydrophobicContact CD2-CD2 4.34Å; F162-L167 HydrophobicContact CG-CD2 4.02Å; M163-L167 PolarHBondContact O-N 3.4Å; Y164-L167 PolarHBondContact O-N 3.44Å; L167-K169 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.41Å; L167-I170 HydrophobicContact CD2-CD1 4Å; L167-I170 VanDerWaalsContact O-CG1 3.3Å; L167-I170 WeakPolarHBondContact O-CG1 3.4Å; L167-I170 PolarHBondContact O-N 2.96Å; L167-T171 WeakPolarHBondContact O-CG2 3.37Å; L167-T171 PolarHBondContact O-N 3.46Å; L167-T171 VanDerWaalsContact O-N 3.11Å; L167-T171 PolarHBondContact O-OG1 2.83Å; L167-F174 HydrophobicContact CB-CZ 4.1Å; L167-V206 HydrophobicContact CB-CG1 4.44Å; L167-V206 HydrophobicContact CD1-CG1 4.11Å; L167-S246 VanDerWaalsContact CD1-CB 3.46Å; L167-C253 HydrophobicContact CD1-CB 3.44Å; L167-C253 VanDerWaalsContact CD1-CB 3.44Å; L167-V255 HydrophobicContact CD1-CG2 4.09Å; L167-V255 HydrophobicContact CD2-CG2 3.67Å
168R96.1Very high92.4Very high127 Ų12762.2 Ų62.248%0.47934%0.339SS..Hα-helixtrans-57.4-40.6174-172.2-178.3170.8-163.60.2112.2Y164 E166 T171 N173 F174Y164-R168 WeakPolarHBondContact O-CB 3.37Å; Y164-R168 PolarHBondContact O-N 3.15Å; E166-R168 VanDerWaalsContact C-N 3.29Å; E166-R168 PolarHBondContact O-N 2.98Å; R168-T171 PolarHBondContact O-OG1 3.42Å; R168-N173 HydrophobicContact CG-CB 4.27Å; R168-N173 WeakPolarHBondContact CG-OD1 3.24Å; R168-N173 PolarHBondContact NE-OD1 2.82Å; R168-N173 VanDerWaalsContact O-CA 3.27Å; R168-N173 WeakPolarHBondContact O-CA 3.37Å; R168-N173 PolarHBondContact O-N 3.42Å; R168-F174 HydrophobicContact CB-CD2 4.3Å; R168-F174 HydrophobicContact CB-CE2 3.86Å; R168-F174 HydrophobicContact CG-CD2 4.22Å; R168-F174 HydrophobicContact CG-CE2 4.26Å
169K96.7Very high93.9Very high158 Ų15862.5 Ų62.569%0.68733%0.33SS*.Hα-helixtrans-67.8-47.7178.1-73.3167.9-173.2171.70111.6S165 E166 L167 T171 G172S165-K169 VanDerWaalsContact O-CG 3.31Å; S165-K169 WeakPolarHBondContact O-CG 3.3Å; S165-K169 PolarHBondContact O-N 3.24Å; E166-K169 WeakPolarHBondContact O-CB 3.29Å; E166-K169 PolarHBondContact O-N 3.25Å; L167-K169 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.41Å; K169-T171 PolarHBondContact O-N 2.92Å; K169-G172 PolarHBondContact O-N 3.11Å
170I96.3Very high94.4Very high40 Ų4065 Ų6521%0.20535%0.349CS..Hα-helixtrans-71.1-20.3-174.768.7172.4000113.2E166 L167 G197 F198 V204 V206E166-I170 PolarHBondContact O-N 3.07Å; L167-I170 HydrophobicContact CD2-CD1 4Å; L167-I170 VanDerWaalsContact O-CG1 3.3Å; L167-I170 WeakPolarHBondContact O-CG1 3.4Å; L167-I170 PolarHBondContact O-N 2.96Å; I170-G197 WeakPolarHBondContact O-CA 3.46Å; I170-F198 WeakPolarHBondContact CB-O 3.46Å; I170-F198 VanDerWaalsContact CG2-O 3.27Å; I170-F198 WeakPolarHBondContact CG2-O 3.38Å; I170-F198 PolarHBondContact O-N 3.48Å; I170-V204 HydrophobicContact CD1-CG2 4Å; I170-V206 HydrophobicContact CD1-CG2 4.26Å
171T96.4Very high94.4Very high3 Ų365.8 Ų65.82%0.01836%0.355CS..THydrogen-bonded Turntrans-97.28176.660.70000113.7L167 R168 K169 F174 D175 S184 V206L167-T171 WeakPolarHBondContact O-CG2 3.37Å; L167-T171 PolarHBondContact O-N 3.46Å; L167-T171 VanDerWaalsContact O-N 3.11Å; L167-T171 PolarHBondContact O-OG1 2.83Å; R168-T171 PolarHBondContact O-OG1 3.42Å; K169-T171 PolarHBondContact O-N 2.92Å; T171-F174 HydrophobicContact CG2-CD1 4.22Å; T171-F174 HydrophobicContact CG2-CE1 4.13Å; T171-F174 PolarHBondContact O-N 3.47Å; T171-F174 PolarHBondContact OG1-N 2.55Å; T171-D175 PolarHBondContact O-N 3.4Å; T171-S184 VanDerWaalsContact O-CB 3.27Å; T171-S184 WeakPolarHBondContact O-CB 3.39Å; T171-S184 PolarHBondContact O-OG 2.88Å; T171-V206 HydrophobicContact CG2-CB 3.9Å; T171-V206 HydrophobicContact CG2-CG1 4.4Å; T171-V206 HydrophobicContact CG2-CG2 3.75Å
172G95.2Very high94.3Very high47 Ų4764.2 Ų64.249%0.48535%0.353SS..THydrogen-bonded Turntrans65.839.8-178.300000113.3K169K169-G172 PolarHBondContact O-N 3.11Å
173N95.5Very high94.2Very high100 Ų10063.8 Ų63.854%0.53536%0.356SS..THydrogen-bonded Turntrans66.932-172.3-58.7-57.3000114.9R168R168-N173 HydrophobicContact CG-CB 4.27Å; R168-N173 WeakPolarHBondContact CG-OD1 3.24Å; R168-N173 PolarHBondContact NE-OD1 2.82Å; R168-N173 VanDerWaalsContact O-CA 3.27Å; R168-N173 WeakPolarHBondContact O-CA 3.37Å; R168-N173 PolarHBondContact O-N 3.42Å
174F94.9Very high94.2Very high12 Ų1259.3 Ų59.35%0.05333%0.334CS..THydrogen-bonded Turntrans55.553.2-172.6-59.2-82000110.9Y164 L167 R168 T171 D176 Y195 V206 K208Y164-F174 HydrophobicContact CD2-CE2 4.31Å; Y164-F174 HydrophobicContact CD2-CZ 4.34Å; Y164-F174 HydrophobicContact CE1-CE2 4.39Å; Y164-F174 HydrophobicContact CE2-CD2 4.43Å; Y164-F174 AromaticContact CE2-CE2 3.39Å; Y164-F174 HydrophobicContact CE2-CE2 3.39Å; Y164-F174 AromaticContact CE2-CZ 3.59Å; Y164-F174 HydrophobicContact CE2-CZ 3.59Å; Y164-F174 AromaticContact CZ-CE2 3.43Å; Y164-F174 VanDerWaalsContact CZ-CE2 3.43Å; Y164-F174 WeakPolarHBondContact OH-CD2 3.28Å; Y164-F174 WeakPolarHBondContact OH-CE2 3.41Å; L167-F174 HydrophobicContact CB-CZ 4.1Å; R168-F174 HydrophobicContact CB-CD2 4.3Å; R168-F174 HydrophobicContact CB-CE2 3.86Å; R168-F174 HydrophobicContact CG-CD2 4.22Å; R168-F174 HydrophobicContact CG-CE2 4.26Å; T171-F174 HydrophobicContact CG2-CD1 4.22Å; T171-F174 HydrophobicContact CG2-CE1 4.13Å; T171-F174 PolarHBondContact O-N 3.47Å; T171-F174 PolarHBondContact OG1-N 2.55Å; F174-D176 PolarHBondContact O-N 3.15Å; F174-Y195 HydrophobicContact CB-CD1 4.23Å; F174-Y195 HydrophobicContact CB-CE1 3.89Å; F174-Y195 HydrophobicContact CB-CE2 4.17Å; F174-Y195 HydrophobicContact CB-CG 4.5Å; F174-Y195 HydrophobicContact CD1-CD1 4.45Å; F174-Y195 AromaticContact CD1-CD2 3.52Å; F174-Y195 HydrophobicContact CD1-CD2 3.52Å; F174-Y195 AromaticContact CD1-CE2 3.72Å; F174-Y195 HydrophobicContact CD1-CE2 3.72Å; F174-Y195 AromaticContact CD1-CG 3.89Å; F174-Y195 HydrophobicContact CD1-CG 3.89Å; F174-Y195 HydrophobicContact CE1-CD2 4.25Å; F174-Y195 HydrophobicContact CG-CD2 4.49Å; F174-Y195 HydrophobicContact CG-CE2 4.39Å; F174-Y195 WeakPolarHBondContact O-CE1 3.42Å; F174-V206 HydrophobicContact CE1-CG1 3.98Å; F174-K208 HydrophobicContact CD1-CB 4.48Å; F174-K208 HydrophobicContact CD1-CD 4.21Å; F174-K208 HydrophobicContact CE1-CB 4.2Å; F174-K208 HydrophobicContact CE1-CD 4.28Å; F174-K208 HydrophobicContact CG-CD 4.4Å
175D94.8Very high94.2Very high41 Ų4162.3 Ų62.322%0.21935%0.346CS..  trans-61.5110.5-179.7-174.7-14.2000110.4T171 R177 G183 S184 R185T171-D175 PolarHBondContact O-N 3.4Å; D175-R177 PolarHBondContact O-N 3.31Å; D175-R177 WeakPolarHBondContact OD1-CB 3.37Å; D175-R177 WeakPolarHBondContact OD1-CG 3.25Å; D175-R177 PolarHBondContact OD1-N 2.89Å; D175-R177 IonicContact OD1-NE 3.11Å; D175-R177 PolarHBondContact OD1-NE 2.9Å; D175-R177 VanDerWaalsContact OD1-NE 3.11Å; D175-R177 IonicContact OD2-CZ 3.32Å; D175-R177 VanDerWaalsContact OD2-CZ 3.32Å; D175-R177 IonicContact OD2-NE 3.12Å; D175-R177 PolarHBondContact OD2-NE 3.41Å; D175-R177 VanDerWaalsContact OD2-NE 3.12Å; D175-R177 IonicContact OD2-NH2 2.69Å; D175-R177 PolarHBondContact OD2-NH2 3.46Å; D175-G183 WeakPolarHBondContact OD2-CA 3.43Å; D175-S184 PolarHBondContact N-OG 3.47Å; D175-S184 PolarHBondContact O-N 3.21Å; D175-S184 VanDerWaalsContact O-N 3.16Å; D175-S184 PolarHBondContact O-OG 3.08Å; D175-R185 PolarHBondContact O-N 3.48Å
176D94.5Very high94Very high91 Ų9163.8 Ų63.849%0.48735%0.35SS..  trans-69.7-10-176-69.9-45.4000114.1F174 R185 Y195F174-D176 PolarHBondContact O-N 3.15Å; D176-R185 WeakPolarHBondContact O-CD 3.41Å; D176-R185 PolarHBondContact O-NE 3.48Å; D176-R185 VanDerWaalsContact O-NE 3.11Å; D176-R185 PolarHBondContact O-NH1 2.66Å; D176-Y195 WeakPolarHBondContact OD1-CE1 3.35Å; D176-Y195 PolarHBondContact OD1-OH 3.4Å
177R94.1Very high93.6Very high137 Ų13761.1 Ų61.152%0.51735%0.346SS..SBendtrans-65.4144.7170.7-60.1177.4-61.1151.94.7109.3D175 G182 G183 S184 R185D175-R177 PolarHBondContact O-N 3.31Å; D175-R177 WeakPolarHBondContact OD1-CB 3.37Å; D175-R177 WeakPolarHBondContact OD1-CG 3.25Å; D175-R177 PolarHBondContact OD1-N 2.89Å; D175-R177 IonicContact OD1-NE 3.11Å; D175-R177 PolarHBondContact OD1-NE 2.9Å; D175-R177 VanDerWaalsContact OD1-NE 3.11Å; D175-R177 IonicContact OD2-CZ 3.32Å; D175-R177 VanDerWaalsContact OD2-CZ 3.32Å; D175-R177 IonicContact OD2-NE 3.12Å; D175-R177 PolarHBondContact OD2-NE 3.41Å; D175-R177 VanDerWaalsContact OD2-NE 3.12Å; D175-R177 IonicContact OD2-NH2 2.69Å; D175-R177 PolarHBondContact OD2-NH2 3.46Å; R177-G182 PolarHBondContact NH2-O 2.9Å; R177-G183 CarbonylContact O-C 3.59Å; R177-G183 WeakPolarHBondContact O-CA 3.43Å; R177-S184 PolarHBondContact O-N 2.99Å; R177-S184 VanDerWaalsContact O-N 3.11Å; R177-R185 WeakPolarHBondContact O-CB 3.18Å; R177-R185 PolarHBondContact O-N 2.96Å
178S91.3Very high93Very high33 Ų3367.6 Ų67.623%0.23138%0.376CS..BIsolated β-bridgetrans-61.3153.7176.667.10000111.2S180 S181 G182 G183S178-S180 PolarHBondContact O-N 2.92Å; S178-S180 PolarHBondContact OG-OG 3.32Å; S178-S181 CarbonylContact O-C 3.59Å; S178-S181 WeakPolarHBondContact O-CA 3.36Å; S178-S181 PolarHBondContact O-N 2.99Å; S178-S181 WeakPolarHBondContact OG-CB 3.24Å; S178-S181 PolarHBondContact OG-N 3.01Å; S178-S181 PolarHBondContact OG-OG 2.87Å; S178-G182 PolarHBondContact O-N 3.28Å; S178-G183 PolarHBondContact O-N 2.81Å
179V90.5Very high91.9Very high57 Ų5763.8 Ų63.835%0.34538%0.376SS..G310 helixtrans-56.5-37.5172.7173.90000111.7S181 G182 R185 L186 K196V179-S181 PolarHBondContact O-N 3.27Å; V179-G182 PolarHBondContact O-N 3.43Å; V179-G182 VanDerWaalsContact O-N 3.07Å; V179-R185 PolarHBondContact N-O 3.17Å; V179-R185 VanDerWaalsContact N-O 3.13Å; V179-L186 HydrophobicContact CG2-CD2 3.74Å; V179-L186 HydrophobicContact CG2-CG 4.36Å; V179-K196 HydrophobicContact CG1-CD 4.44Å; V179-K196 HydrophobicContact CG2-CB 4.09Å; V179-K196 HydrophobicContact CG2-CD 4.23Å
180S87.2Confident90.6Very high89 Ų8958.5 Ų58.562%0.62237%0.367SS*.G310 helixtrans-62.5-24.6174.951.10000113.8S178S178-S180 PolarHBondContact O-N 2.92Å; S178-S180 PolarHBondContact OG-OG 3.32Å
181S90.6Very high89.4Confident78 Ų7858.1 Ų58.155%0.54536%0.363SS..G310 helixtrans-97.912.6176.5-53.20000113.1S178 V179S178-S181 CarbonylContact O-C 3.59Å; S178-S181 WeakPolarHBondContact O-CA 3.36Å; S178-S181 PolarHBondContact O-N 2.99Å; S178-S181 WeakPolarHBondContact OG-CB 3.24Å; S178-S181 PolarHBondContact OG-N 3.01Å; S178-S181 PolarHBondContact OG-OG 2.87Å; V179-S181 PolarHBondContact O-N 3.27Å
182G90.6Very high88.9Confident57 Ų5758.3 Ų58.359%0.58837%0.366SS*.THydrogen-bonded Turntrans78.315.2-179.300000115.1R177 S178 V179R177-G182 PolarHBondContact NH2-O 2.9Å; S178-G182 PolarHBondContact O-N 3.28Å; V179-G182 PolarHBondContact O-N 3.43Å; V179-G182 VanDerWaalsContact O-N 3.07Å
183G94.4Very high88.7Confident16 Ų1656.2 Ų56.217%0.16534%0.344CS..SBendtrans-94.3-156.2169.700000113D175 R177 S178D175-G183 WeakPolarHBondContact OD2-CA 3.43Å; R177-G183 CarbonylContact O-C 3.59Å; R177-G183 WeakPolarHBondContact O-CA 3.43Å; S178-G183 PolarHBondContact O-N 2.81Å
184S95.3Very high88.7Confident9 Ų953.4 Ų53.46%0.06333%0.33CS..  trans-118.9-13.8-176.571.80000114T171 D175 R177 L186 Y195 K196T171-S184 VanDerWaalsContact O-CB 3.27Å; T171-S184 WeakPolarHBondContact O-CB 3.39Å; T171-S184 PolarHBondContact O-OG 2.88Å; D175-S184 PolarHBondContact N-OG 3.47Å; D175-S184 PolarHBondContact O-N 3.21Å; D175-S184 VanDerWaalsContact O-N 3.16Å; D175-S184 PolarHBondContact O-OG 3.08Å; R177-S184 PolarHBondContact O-N 2.99Å; R177-S184 VanDerWaalsContact O-N 3.11Å; S184-L186 PolarHBondContact O-N 2.95Å; S184-Y195 CarbonylContact O-C 3.51Å; S184-Y195 VanDerWaalsContact O-CA 3.31Å; S184-Y195 WeakPolarHBondContact O-CA 3.49Å; S184-Y195 VanDerWaalsContact OG-CD1 3.3Å; S184-Y195 WeakPolarHBondContact OG-CD1 3.25Å; S184-K196 PolarHBondContact O-N 2.82Å
185R95.5Very high88.8Confident88 Ų8853.1 Ų53.133%0.33233%0.329SS..EExtended strand (participates in β ladder)trans-68.2124.2-175.6-168.5174.470-169.7-0.5111.8D175 D176 R177 V179 T193 Y195D175-R185 PolarHBondContact O-N 3.48Å; D176-R185 WeakPolarHBondContact O-CD 3.41Å; D176-R185 PolarHBondContact O-NE 3.48Å; D176-R185 VanDerWaalsContact O-NE 3.11Å; D176-R185 PolarHBondContact O-NH1 2.66Å; R177-R185 WeakPolarHBondContact O-CB 3.18Å; R177-R185 PolarHBondContact O-N 2.96Å; V179-R185 PolarHBondContact N-O 3.17Å; V179-R185 VanDerWaalsContact N-O 3.13Å; R185-T193 HydrophobicContact CG-CG2 3.84Å; R185-Y195 HydrophobicContact CB-CD1 4.26Å; R185-Y195 HydrophobicContact CB-CE1 4.31Å
186L91.7Very high89Confident69 Ų6953.7 Ų53.736%0.36133%0.329SS..EExtended strand (participates in β ladder)trans-93.8-38.2175.5-69.3170.8000111.9V179 S184 V194 K196 A205 F258V179-L186 HydrophobicContact CG2-CD2 3.74Å; V179-L186 HydrophobicContact CG2-CG 4.36Å; S184-L186 PolarHBondContact O-N 2.95Å; L186-V194 HydrophobicContact CB-CB 4.45Å; L186-V194 HydrophobicContact CB-CG1 4.36Å; L186-V194 WeakPolarHBondContact CB-O 3.4Å; L186-V194 HydrophobicContact CD1-CG1 4.15Å; L186-V194 PolarHBondContact N-O 3.27Å; L186-K196 HydrophobicContact CD1-CB 3.94Å; L186-K196 HydrophobicContact CD2-CB 4.06Å; L186-K196 HydrophobicContact CG-CB 3.92Å; L186-A205 HydrophobicContact CD1-CB 4.11Å; L186-F258 HydrophobicContact CD1-CD2 4.08Å; L186-F258 HydrophobicContact CD1-CE2 3.82Å; L186-F258 HydrophobicContact CD2-CE2 3.8Å; L186-F258 HydrophobicContact CD2-CZ 4.49Å; L186-F258 HydrophobicContact CG-CE2 4.5Å
187G87.6Confident89.1Confident31 Ų3149.3 Ų49.332%0.3231%0.306SS..EExtended strand (participates in β ladder)trans-178.2169.8-178.600000112.2T193 V194G187-T193 WeakPolarHBondContact O-CG2 3.34Å; G187-V194 PolarHBondContact N-O 2.89Å; G187-V194 PolarHBondContact O-N 3.38Å
188E84.7Confident89.2Confident137 Ų13748.2 Ų48.264%0.6431%0.305SS*.EExtended strand (participates in β ladder)trans-143142-179.3-176.4175.2171.900109.5T193E188-T193 HydrophobicContact CB-CG2 4.36Å
189G73.1Confident89.3Confident46 Ų4648.7 Ų48.747%0.47431%0.305SS..EExtended strand (participates in β ladder)trans-159.7-173.4176.500000112.4F191 G192G189-F191 PolarHBondContact O-N 3.33Å; G189-G192 PolarHBondContact N-O 3.19Å; G189-G192 PolarHBondContact O-N 3.15Å
190G68.6Low89.4Confident48 Ų4853.2 Ų53.250%0.49533%0.327SS..THydrogen-bonded Turntrans-64.22.1-176.100000116.3I212G190-I212 WeakPolarHBondContact O-CD1 3.4Å
191F71.5Confident89.5Confident31 Ų3156.7 Ų56.714%0.13634%0.339CS..THydrogen-bonded Turntrans-122.612.6178.9-55.4-77.9000112.6G189 K207 L209 D323 L326G189-F191 PolarHBondContact O-N 3.33Å; F191-K207 VanDerWaalsContact O-CE 3.26Å; F191-K207 WeakPolarHBondContact O-CE 3.39Å; F191-L209 WeakPolarHBondContact O-CD2 3.25Å; F191-D323 WeakPolarHBondContact CD2-OD2 3.23Å; F191-D323 VanDerWaalsContact CE2-OD2 3.27Å; F191-D323 WeakPolarHBondContact CE2-OD2 3.48Å; F191-L326 HydrophobicContact CE1-CD1 4.13Å; F191-L326 HydrophobicContact CE1-CD2 3.89Å; F191-L326 HydrophobicContact CE1-CG 3.81Å; F191-L326 HydrophobicContact CZ-CD1 3.6Å; F191-L326 HydrophobicContact CZ-CD2 4.23Å; F191-L326 HydrophobicContact CZ-CG 3.74Å
192G85.7Confident89.7Confident7 Ų761.2 Ų61.27%0.07234%0.344CS..EExtended strand (participates in β ladder)trans116.3-170.1177.900000114.2G189 K208G189-G192 PolarHBondContact N-O 3.19Å; G189-G192 PolarHBondContact O-N 3.15Å; G192-K208 CarbonylContact C-O 3.55Å; G192-K208 VanDerWaalsContact CA-O 3.28Å; G192-K208 WeakPolarHBondContact CA-O 3.38Å
193T91.7Very high90Very high4 Ų459.7 Ų59.73%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-110.3136.1-176.2-48.10000109.9R185 G187 E188 Y195 K208 N210R185-T193 HydrophobicContact CG-CG2 3.84Å; G187-T193 WeakPolarHBondContact O-CG2 3.34Å; E188-T193 HydrophobicContact CB-CG2 4.36Å; T193-Y195 HydrophobicContact CG2-CD2 4.24Å; T193-Y195 HydrophobicContact CG2-CE1 4.06Å; T193-Y195 HydrophobicContact CG2-CE2 3.52Å; T193-Y195 VanDerWaalsContact CG2-CZ 3.42Å; T193-Y195 WeakPolarHBondContact CG2-OH 3.5Å; T193-K208 PolarHBondContact N-O 3.08Å; T193-K208 PolarHBondContact O-N 3.06Å; T193-N210 PolarHBondContact OG1-ND2 3.31Å
194V95.1Very high90.1Very high40 Ų4059.1 Ų59.124%0.24232%0.319CS..EExtended strand (participates in β ladder)trans-106.5129.9-178.8-1710000109.6L186 G187 A205 V206 K207L186-V194 HydrophobicContact CB-CB 4.45Å; L186-V194 HydrophobicContact CB-CG1 4.36Å; L186-V194 WeakPolarHBondContact CB-O 3.4Å; L186-V194 HydrophobicContact CD1-CG1 4.15Å; L186-V194 PolarHBondContact N-O 3.27Å; G187-V194 PolarHBondContact N-O 2.89Å; G187-V194 PolarHBondContact O-N 3.38Å; V194-A205 HydrophobicContact CG1-CB 3.97Å; V194-V206 WeakPolarHBondContact CA-O 3.33Å; V194-K207 HydrophobicContact CG2-CB 4.17Å; V194-K207 HydrophobicContact CG2-CG 4.14Å
195Y97.1Very high90.2Very high7 Ų759.2 Ų59.23%0.02732%0.32CS..EExtended strand (participates in β ladder)trans-122143.8-177.9-58.1-94.7000110.9F174 D176 S184 R185 T193 A205 V206 K208F174-Y195 HydrophobicContact CB-CD1 4.23Å; F174-Y195 HydrophobicContact CB-CE1 3.89Å; F174-Y195 HydrophobicContact CB-CE2 4.17Å; F174-Y195 HydrophobicContact CB-CG 4.5Å; F174-Y195 HydrophobicContact CD1-CD1 4.45Å; F174-Y195 AromaticContact CD1-CD2 3.52Å; F174-Y195 HydrophobicContact CD1-CD2 3.52Å; F174-Y195 AromaticContact CD1-CE2 3.72Å; F174-Y195 HydrophobicContact CD1-CE2 3.72Å; F174-Y195 AromaticContact CD1-CG 3.89Å; F174-Y195 HydrophobicContact CD1-CG 3.89Å; F174-Y195 HydrophobicContact CE1-CD2 4.25Å; F174-Y195 HydrophobicContact CG-CD2 4.49Å; F174-Y195 HydrophobicContact CG-CE2 4.39Å; F174-Y195 WeakPolarHBondContact O-CE1 3.42Å; D176-Y195 WeakPolarHBondContact OD1-CE1 3.35Å; D176-Y195 PolarHBondContact OD1-OH 3.4Å; S184-Y195 CarbonylContact O-C 3.51Å; S184-Y195 VanDerWaalsContact O-CA 3.31Å; S184-Y195 WeakPolarHBondContact O-CA 3.49Å; S184-Y195 VanDerWaalsContact OG-CD1 3.3Å; S184-Y195 WeakPolarHBondContact OG-CD1 3.25Å; R185-Y195 HydrophobicContact CB-CD1 4.26Å; R185-Y195 HydrophobicContact CB-CE1 4.31Å; T193-Y195 HydrophobicContact CG2-CD2 4.24Å; T193-Y195 HydrophobicContact CG2-CE1 4.06Å; T193-Y195 HydrophobicContact CG2-CE2 3.52Å; T193-Y195 VanDerWaalsContact CG2-CZ 3.42Å; T193-Y195 WeakPolarHBondContact CG2-OH 3.5Å; Y195-A205 CarbonylContact O-C 3.45Å; Y195-A205 WeakPolarHBondContact O-CA 3.41Å; Y195-V206 PolarHBondContact N-O 2.9Å; Y195-V206 PolarHBondContact O-N 2.88Å; Y195-K208 HydrophobicContact CD2-CB 4.42Å; Y195-K208 HydrophobicContact CE2-CB 4.08Å
196K97.6Very high90.3Very high52 Ų5255 Ų5523%0.22631%0.305CS..EExtended strand (participates in β ladder)trans-75.7133.2170.1-167.4174.6-176175.60108.9V179 S184 L186 F258V179-K196 HydrophobicContact CG1-CD 4.44Å; V179-K196 HydrophobicContact CG2-CB 4.09Å; V179-K196 HydrophobicContact CG2-CD 4.23Å; S184-K196 PolarHBondContact O-N 2.82Å; L186-K196 HydrophobicContact CD1-CB 3.94Å; L186-K196 HydrophobicContact CD2-CB 4.06Å; L186-K196 HydrophobicContact CG-CB 3.92Å; K196-F258 HydrophobicContact CD-CE2 4.26Å; K196-F258 HydrophobicContact CD-CZ 4.31Å; K196-F258 HydrophobicContact CG-CD2 4.47Å; K196-F258 HydrophobicContact CG-CE2 4.29Å
197G97.3Very high90.5Very high0 Ų052.4 Ų52.40%029%0.29CS..EExtended strand (participates in β ladder)trans-134.8171.1171.800000112.5I170 A203 V204I170-G197 WeakPolarHBondContact O-CA 3.46Å; G197-A203 WeakPolarHBondContact O-CA 3.41Å; G197-V204 PolarHBondContact N-O 3.42Å; G197-V204 PolarHBondContact O-N 2.86Å
198F96.7Very high90.8Very high114 Ų11452.7 Ų52.750%0.528%0.283SS..EExtended strand (participates in β ladder)trans-126.2109.3176.1-69.4-89.5000110.8I170 R202 A203I170-F198 WeakPolarHBondContact CB-O 3.46Å; I170-F198 VanDerWaalsContact CG2-O 3.27Å; I170-F198 WeakPolarHBondContact CG2-O 3.38Å; I170-F198 PolarHBondContact O-N 3.48Å; F198-R202 CarbonylContact C-O 3.46Å; F198-R202 WeakPolarHBondContact CA-O 3.41Å; F198-A203 HydrophobicContact CD1-CB 4.48Å; F198-A203 HydrophobicContact CE1-CB 4.21Å
199L93.8Very high91Very high42 Ų4246.4 Ų46.422%0.2225%0.254CS..EExtended strand (participates in β ladder)trans-103.3113.9174.6-176.367.3000108.7F162 N201 R202 V204 V243F162-L199 HydrophobicContact CE1-CD1 4.04Å; F162-L199 HydrophobicContact CE1-CD2 3.79Å; F162-L199 HydrophobicContact CZ-CD2 3.61Å; L199-N201 VanDerWaalsContact C-N 3.31Å; L199-N201 PolarHBondContact O-N 3.14Å; L199-R202 PolarHBondContact N-O 3.22Å; L199-R202 WeakPolarHBondContact O-CB 3.39Å; L199-R202 PolarHBondContact O-N 2.66Å; L199-V204 HydrophobicContact CB-CG1 4.11Å; L199-V204 HydrophobicContact CB-CG2 4.35Å; L199-V243 HydrophobicContact CD2-CG1 4.22Å
200N91.3Very high91.3Very high152 Ų15246.3 Ų46.381%0.81324%0.242SC*.THydrogen-bonded Turntrans50.447.8-177.8-58.8-30.8000112.9R202N200-R202 PolarHBondContact O-N 3.04Å; N200-R202 VanDerWaalsContact O-N 3.11Å
201N90.4Very high91.3Very high163 Ų16348.5 Ų48.587%0.87225%0.248SC*.THydrogen-bonded Turntrans62.26.6-174.4-61.7-13.5000116L199L199-N201 VanDerWaalsContact C-N 3.31Å; L199-N201 PolarHBondContact O-N 3.14Å
202R94.3Very high91.1Very high172 Ų17250.4 Ų50.465%0.64926%0.258SS*.EExtended strand (participates in β ladder)trans-96.4129.3171.6-172.1177.1179.6178.90.2109.9F198 L199 N200F198-R202 CarbonylContact C-O 3.46Å; F198-R202 WeakPolarHBondContact CA-O 3.41Å; L199-R202 PolarHBondContact N-O 3.22Å; L199-R202 WeakPolarHBondContact O-CB 3.39Å; L199-R202 PolarHBondContact O-N 2.66Å; N200-R202 PolarHBondContact O-N 3.04Å; N200-R202 VanDerWaalsContact O-N 3.11Å
203A96.7Very high89.7Confident26 Ų2658 Ų5822%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-65.1135.717400000110.7G197 F198 F258G197-A203 WeakPolarHBondContact O-CA 3.41Å; F198-A203 HydrophobicContact CD1-CB 4.48Å; F198-A203 HydrophobicContact CE1-CB 4.21Å; A203-F258 HydrophobicContact CB-CB 3.76Å; A203-F258 HydrophobicContact CB-CD1 3.75Å; A203-F258 HydrophobicContact CB-CG 3.86Å; A203-F258 WeakPolarHBondContact O-CB 3.4Å
204V97.4Very high88.3Confident3 Ų365.4 Ų65.42%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-132.5159.2174.9-65.40000110I170 G197 L199 V206 V255 Y256I170-V204 HydrophobicContact CD1-CG2 4Å; G197-V204 PolarHBondContact N-O 3.42Å; G197-V204 PolarHBondContact O-N 2.86Å; L199-V204 HydrophobicContact CB-CG1 4.11Å; L199-V204 HydrophobicContact CB-CG2 4.35Å; V204-V206 HydrophobicContact CG2-CG2 4.21Å; V204-V255 HydrophobicContact CB-CG1 3.88Å; V204-V255 HydrophobicContact CG1-CG1 4.21Å; V204-V255 HydrophobicContact CG2-CG1 4.08Å; V204-Y256 WeakPolarHBondContact CA-O 3.48Å; V204-Y256 WeakPolarHBondContact CB-O 3.45Å
205A97.6Very high86.9Confident11 Ų1165.6 Ų65.69%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-108.4124.1169.300000109.2L186 V194 Y195 V255 Y256L186-A205 HydrophobicContact CD1-CB 4.11Å; V194-A205 HydrophobicContact CG1-CB 3.97Å; Y195-A205 CarbonylContact O-C 3.45Å; Y195-A205 WeakPolarHBondContact O-CA 3.41Å; A205-V255 CarbonylContact O-C 3.54Å; A205-V255 WeakPolarHBondContact O-CA 3.17Å; A205-Y256 PolarHBondContact N-O 2.65Å; A205-Y256 PolarHBondContact O-N 3.47Å
206V97Very high85.8Confident0 Ų068.7 Ų68.70%036%0.357CS..EExtended strand (participates in β ladder)trans-108.4105.6-179.6-174.20000108.1L167 I170 T171 F174 V194 Y195 V204 C253 V255L167-V206 HydrophobicContact CB-CG1 4.44Å; L167-V206 HydrophobicContact CD1-CG1 4.11Å; I170-V206 HydrophobicContact CD1-CG2 4.26Å; T171-V206 HydrophobicContact CG2-CB 3.9Å; T171-V206 HydrophobicContact CG2-CG1 4.4Å; T171-V206 HydrophobicContact CG2-CG2 3.75Å; F174-V206 HydrophobicContact CE1-CG1 3.98Å; V194-V206 WeakPolarHBondContact CA-O 3.33Å; Y195-V206 PolarHBondContact N-O 2.9Å; Y195-V206 PolarHBondContact O-N 2.88Å; V204-V206 HydrophobicContact CG2-CG2 4.21Å; V206-C253 HydrophobicContact CG1-CB 4.27Å; V206-V255 HydrophobicContact CG2-CG1 4.43Å; V206-V255 HydrophobicContact CG2-CG2 4.47Å
207K95.4Very high84.8Confident14 Ų1471.6 Ų71.66%0.06137%0.374CS..EExtended strand (participates in β ladder)trans-83.9110.7173-177.6-179.1-178.9-175.30108.3F191 V194 E227 C253 I254 Y256 D323F191-K207 VanDerWaalsContact O-CE 3.26Å; F191-K207 WeakPolarHBondContact O-CE 3.39Å; V194-K207 HydrophobicContact CG2-CB 4.17Å; V194-K207 HydrophobicContact CG2-CG 4.14Å; K207-E227 IonicContact NZ-OE1 2.72Å; K207-E227 IonicContact NZ-OE2 2.71Å; K207-E227 PolarHBondContact NZ-OE2 3.33Å; K207-C253 CarbonylContact O-C 3.48Å; K207-C253 VanDerWaalsContact O-CA 3.24Å; K207-C253 WeakPolarHBondContact O-CA 3.39Å; K207-I254 PolarHBondContact N-O 3.46Å; K207-I254 PolarHBondContact O-N 3.14Å; K207-Y256 HydrophobicContact CB-CD2 4.4Å; K207-Y256 HydrophobicContact CB-CE2 3.82Å; K207-Y256 HydrophobicContact CD-CE2 4.17Å; K207-D323 IonicContact NZ-OD1 2.75Å; K207-D323 PolarHBondContact NZ-OD1 2.98Å
208K93.6Very high84Confident38 Ų3875.3 Ų75.317%0.16539%0.394CS..EExtended strand (participates in β ladder)trans-92.4117171.3-176.8-176.2176.6-1690108.3F174 G192 T193 Y195 N210F174-K208 HydrophobicContact CD1-CB 4.48Å; F174-K208 HydrophobicContact CD1-CD 4.21Å; F174-K208 HydrophobicContact CE1-CB 4.2Å; F174-K208 HydrophobicContact CE1-CD 4.28Å; F174-K208 HydrophobicContact CG-CD 4.4Å; G192-K208 CarbonylContact C-O 3.55Å; G192-K208 VanDerWaalsContact CA-O 3.28Å; G192-K208 WeakPolarHBondContact CA-O 3.38Å; T193-K208 PolarHBondContact N-O 3.08Å; T193-K208 PolarHBondContact O-N 3.06Å; Y195-K208 HydrophobicContact CD2-CB 4.42Å; Y195-K208 HydrophobicContact CE2-CB 4.08Å; K208-N210 PolarHBondContact O-N 3.33Å
209L89Confident83.2Confident5 Ų573.1 Ų73.13%0.02638%0.384CS..PPolyproline II helixtrans-76121.4174.6-72.5128000108.8F191 L220 F224 M252 I254F191-L209 WeakPolarHBondContact O-CD2 3.25Å; L209-L220 HydrophobicContact CB-CD1 4.09Å; L209-L220 HydrophobicContact CB-CD2 4.28Å; L209-L220 HydrophobicContact CB-CG 4.25Å; L209-L220 HydrophobicContact CD2-CD1 3.63Å; L209-L220 HydrophobicContact CD2-CG 4.3Å; L209-L220 HydrophobicContact CG-CD1 4.5Å; L209-F224 HydrophobicContact CD1-CB 4.01Å; L209-F224 HydrophobicContact CD1-CD2 3.43Å; L209-F224 VanDerWaalsContact CD1-CD2 3.43Å; L209-F224 HydrophobicContact CD1-CE2 4.3Å; L209-F224 HydrophobicContact CD1-CG 4.15Å; L209-M252 HydrophobicContact CB-CB 4.18Å; L209-M252 HydrophobicContact CD1-CB 3.82Å; L209-M252 PolarHBondContact N-O 3.16Å; L209-I254 HydrophobicContact CD1-CD1 4.38Å; L209-I254 HydrophobicContact CD1-CG1 4.41Å
210N79.5Confident82.6Confident43 Ų4371.5 Ų71.523%0.2338%0.376CS..PPolyproline II helixtrans-99.4140.6176.6-63.2-32.3000109.1T193 K208 I212T193-N210 PolarHBondContact OG1-ND2 3.31Å; K208-N210 PolarHBondContact O-N 3.33Å; N210-I212 PolarHBondContact O-N 2.88Å
211P69.6Low82.4Confident95 Ų9568.7 Ų68.762%0.61736%0.358SS*.PPolyproline II helixtrans-56.2128.3163.7-17.530000108.8
212I66.4Low82.2Confident70 Ų7064.3 Ų64.336%0.35933%0.334SS..PPolyproline II helixtrans-95.2136.4169.4-62.4173.1000106G190 N210 D214 M215G190-I212 WeakPolarHBondContact O-CD1 3.4Å; N210-I212 PolarHBondContact O-N 2.88Å; I212-D214 PolarHBondContact O-N 3.19Å; I212-M215 HydrophobicContact CB-CB 4.17Å; I212-M215 HydrophobicContact CD1-CE 4.31Å; I212-M215 PolarHBondContact O-N 3.27Å
213D57.3Low81.8Confident168 Ų16856.5 Ų56.590%0.89831%0.305SS*.THydrogen-bonded Turntrans-55.8-13.9-169.3-71.1-34.7000115
214D60.6Low81.5Confident158 Ų15855.6 Ų55.685%0.84530%0.296SS*.THydrogen-bonded Turntrans-1192.9176.9-65.8-46.4000114.9I212I212-D214 PolarHBondContact O-N 3.19Å
215M66.5Low81.2Confident45 Ų4558.8 Ų58.822%0.22231%0.314CS..SBendtrans-99.9118.7178.6-168.8177.7-56.800111.1I212 L217 K219 L220I212-M215 HydrophobicContact CB-CB 4.17Å; I212-M215 HydrophobicContact CD1-CE 4.31Å; I212-M215 PolarHBondContact O-N 3.27Å; M215-L217 PolarHBondContact O-N 3.38Å; M215-K219 HydrophobicContact CG-CB 3.78Å; M215-K219 HydrophobicContact SD-CB 4.03Å; M215-L220 HydrophobicContact SD-CB 4.38Å; M215-L220 HydrophobicContact SD-CD1 4.37Å
216P74.3Confident80.8Confident71 Ų7160.6 Ų60.646%0.46132%0.32SS..  trans-56139.6172.2-27.336.9000112D218 K219 L220P216-D218 WeakPolarHBondContact CB-OD1 3.43Å; P216-D218 PolarHBondContact O-N 3.23Å; P216-K219 HydrophobicContact CB-CG 4.18Å; P216-K219 HydrophobicContact CG-CG 4.4Å; P216-K219 WeakPolarHBondContact O-CA 3.44Å; P216-K219 WeakPolarHBondContact O-CB 3.43Å; P216-K219 PolarHBondContact O-N 3.45Å; P216-L220 PolarHBondContact O-N 3Å
217L77Confident80.6Confident113 Ų11360.7 Ų60.759%0.59232%0.321SS*.Hα-helixtrans-59.1-32.7-175.4-172.766000112.9M215 K219 L220 Q221M215-L217 PolarHBondContact O-N 3.38Å; L217-K219 VanDerWaalsContact C-N 3.27Å; L217-K219 PolarHBondContact O-N 2.78Å; L217-L220 PolarHBondContact O-N 3.13Å; L217-Q221 PolarHBondContact O-N 2.89Å
218D80.4Confident80.4Confident79 Ų7960.3 Ų60.342%0.42232%0.319SS..Hα-helixtrans-60.6-36.4173.464-54.7000111.7P216 Q221 D222P216-D218 WeakPolarHBondContact CB-OD1 3.43Å; P216-D218 PolarHBondContact O-N 3.23Å; D218-Q221 PolarHBondContact O-N 2.96Å; D218-D222 WeakPolarHBondContact O-CB 3.36Å; D218-D222 VanDerWaalsContact O-CG 3.23Å; D218-D222 PolarHBondContact O-N 3.22Å
219K78.6Confident80.3Confident68 Ų6863.8 Ų63.830%0.29634%0.336SS..Hα-helixtrans-71.9-34.5178.2-61.7-50.5-179.7-151.20113M215 P216 L217 Q221 D222 Q223M215-K219 HydrophobicContact CG-CB 3.78Å; M215-K219 HydrophobicContact SD-CB 4.03Å; P216-K219 HydrophobicContact CB-CG 4.18Å; P216-K219 HydrophobicContact CG-CG 4.4Å; P216-K219 WeakPolarHBondContact O-CA 3.44Å; P216-K219 WeakPolarHBondContact O-CB 3.43Å; P216-K219 PolarHBondContact O-N 3.45Å; L217-K219 VanDerWaalsContact C-N 3.27Å; L217-K219 PolarHBondContact O-N 2.78Å; K219-Q221 VanDerWaalsContact C-N 3.35Å; K219-D222 IonicContact NZ-OD2 3.57Å; K219-Q223 WeakPolarHBondContact O-CG 3.49Å; K219-Q223 PolarHBondContact O-N 3.35Å
220L82.1Confident80.4Confident8 Ų863.6 Ų63.64%0.04234%0.335CS..Hα-helixtrans-67.3-41.8173-168.666.9000110.2L209 M215 P216 L217 Q223 F224L209-L220 HydrophobicContact CB-CD1 4.09Å; L209-L220 HydrophobicContact CB-CD2 4.28Å; L209-L220 HydrophobicContact CB-CG 4.25Å; L209-L220 HydrophobicContact CD2-CD1 3.63Å; L209-L220 HydrophobicContact CD2-CG 4.3Å; L209-L220 HydrophobicContact CG-CD1 4.5Å; M215-L220 HydrophobicContact SD-CB 4.38Å; M215-L220 HydrophobicContact SD-CD1 4.37Å; P216-L220 PolarHBondContact O-N 3Å; L217-L220 PolarHBondContact O-N 3.13Å; L220-Q223 PolarHBondContact O-N 3.26Å; L220-F224 PolarHBondContact O-N 2.83Å
221Q86.6Confident80.9Confident92 Ų9261.6 Ų61.643%0.4332%0.324SS..Hα-helixtrans-64.6-39.3175.7-166.5166.623.800112.6L217 D218 K219 Q223 F224 N225 M252L217-Q221 PolarHBondContact O-N 2.89Å; D218-Q221 PolarHBondContact O-N 2.96Å; K219-Q221 VanDerWaalsContact C-N 3.35Å; Q221-Q223 VanDerWaalsContact C-N 3.33Å; Q221-Q223 PolarHBondContact O-N 2.76Å; Q221-F224 PolarHBondContact O-N 2.9Å; Q221-N225 WeakPolarHBondContact O-CB 3.44Å; Q221-N225 VanDerWaalsContact O-CG 3.27Å; Q221-N225 PolarHBondContact O-N 3.13Å; Q221-N225 PolarHBondContact O-ND2 3.13Å; Q221-M252 HydrophobicContact CB-CE 3.85Å; Q221-M252 HydrophobicContact CB-SD 4.31Å; Q221-M252 HydrophobicContact CG-CE 3.8Å; Q221-M252 HydrophobicContact CG-SD 4.39Å
222D86.3Confident81.9Confident72 Ų7261.3 Ų61.339%0.38531%0.313SS..Hα-helixtrans-58.5-44.4173.6-76.4-20.2000111.3D218 K219 Q226D218-D222 WeakPolarHBondContact O-CB 3.36Å; D218-D222 VanDerWaalsContact O-CG 3.23Å; D218-D222 PolarHBondContact O-N 3.22Å; K219-D222 IonicContact NZ-OD2 3.57Å; D222-Q226 WeakPolarHBondContact O-CB 3.43Å; D222-Q226 PolarHBondContact O-N 2.68Å
223Q85.2Confident83Confident8 Ų862.9 Ų62.94%0.03733%0.326CS..Hα-helixtrans-66.5-45.3178.4-72.1175.2-3.700111.7K219 L220 Q221 Q226 E227 L326K219-Q223 WeakPolarHBondContact O-CG 3.49Å; K219-Q223 PolarHBondContact O-N 3.35Å; L220-Q223 PolarHBondContact O-N 3.26Å; Q221-Q223 VanDerWaalsContact C-N 3.33Å; Q221-Q223 PolarHBondContact O-N 2.76Å; Q223-Q226 PolarHBondContact O-N 3.26Å; Q223-E227 WeakPolarHBondContact O-CB 3.45Å; Q223-E227 PolarHBondContact O-N 3.1Å; Q223-L326 HydrophobicContact CG-CD2 4.49Å
224F90.9Very high84.7Confident6 Ų655 Ų553%0.02628%0.284CS..Hα-helixtrans-56.9-51.3175.3175.1-106.8000111.8L209 L220 Q221 Q226 E227 I228 F245 S246 C247 M252 I254L209-F224 HydrophobicContact CD1-CB 4.01Å; L209-F224 HydrophobicContact CD1-CD2 3.43Å; L209-F224 VanDerWaalsContact CD1-CD2 3.43Å; L209-F224 HydrophobicContact CD1-CE2 4.3Å; L209-F224 HydrophobicContact CD1-CG 4.15Å; L220-F224 PolarHBondContact O-N 2.83Å; Q221-F224 PolarHBondContact O-N 2.9Å; F224-Q226 PolarHBondContact O-N 3Å; F224-E227 PolarHBondContact O-N 3.4Å; F224-I228 HydrophobicContact CD1-CD1 3.87Å; F224-I228 HydrophobicContact CD2-CD1 3.94Å; F224-I228 HydrophobicContact CE1-CD1 3.41Å; F224-I228 VanDerWaalsContact CE1-CD1 3.41Å; F224-I228 HydrophobicContact CE2-CD1 3.52Å; F224-I228 HydrophobicContact CE2-CG1 4.5Å; F224-I228 HydrophobicContact CG-CD1 4.14Å; F224-I228 HydrophobicContact CZ-CD1 3.25Å; F224-I228 WeakPolarHBondContact O-CG1 3.48Å; F224-I228 PolarHBondContact O-N 3.45Å; F224-I228 VanDerWaalsContact O-N 3.08Å; F224-F245 HydrophobicContact CE2-CB 4.35Å; F224-F245 HydrophobicContact CZ-CB 4.19Å; F224-F245 HydrophobicContact CZ-CD2 4.06Å; F224-F245 HydrophobicContact CZ-CG 4.49Å; F224-S246 WeakPolarHBondContact CZ-O 3.34Å; F224-C247 HydrophobicContact CE1-CB 3.89Å; F224-C247 HydrophobicContact CZ-CB 3.9Å; F224-M252 HydrophobicContact CB-SD 3.89Å; F224-M252 HydrophobicContact CD1-CG 4.2Å; F224-M252 HydrophobicContact CD1-SD 4.05Å; F224-M252 HydrophobicContact CD2-CB 3.78Å; F224-M252 HydrophobicContact CD2-CG 4.34Å; F224-M252 HydrophobicContact CE1-CG 4.36Å; F224-M252 HydrophobicContact CE2-CB 3.9Å; F224-M252 HydrophobicContact CE2-CG 4.46Å; F224-M252 HydrophobicContact CG-CB 4.06Å; F224-M252 HydrophobicContact CG-CG 4.16Å; F224-M252 HydrophobicContact CG-SD 3.95Å; F224-M252 HydrophobicContact CZ-CB 4.32Å; F224-M252 HydrophobicContact CZ-CG 4.46Å; F224-I254 HydrophobicContact CD2-CD1 3.85Å; F224-I254 HydrophobicContact CD2-CG1 3.69Å; F224-I254 HydrophobicContact CE2-CD1 4.27Å; F224-I254 HydrophobicContact CE2-CG1 3.63Å
225N91.1Very high86.3Confident71 Ų7151.8 Ų51.838%0.3826%0.262SS..Hα-helixtrans-62.9-43.7178.5-73.7-26.8000111.3Q221 E227 I228 Q229Q221-N225 WeakPolarHBondContact O-CB 3.44Å; Q221-N225 VanDerWaalsContact O-CG 3.27Å; Q221-N225 PolarHBondContact O-N 3.13Å; Q221-N225 PolarHBondContact O-ND2 3.13Å; N225-E227 PolarHBondContact O-N 3.41Å; N225-I228 PolarHBondContact O-N 2.96Å; N225-Q229 WeakPolarHBondContact O-CB 3.35Å; N225-Q229 WeakPolarHBondContact O-CG 3.49Å; N225-Q229 PolarHBondContact O-N 3.1Å
226Q90.1Very high87.7Confident49 Ų4952.2 Ų52.223%0.22926%0.264CS..Hα-helixtrans-60.4-46.4178.3-17764.664.600111.5D222 Q223 F224 Q229 T230 T327D222-Q226 WeakPolarHBondContact O-CB 3.43Å; D222-Q226 PolarHBondContact O-N 2.68Å; Q223-Q226 PolarHBondContact O-N 3.26Å; F224-Q226 PolarHBondContact O-N 3Å; Q226-Q229 PolarHBondContact O-N 2.89Å; Q226-T230 PolarHBondContact NE2-OG1 3.01Å; Q226-T230 VanDerWaalsContact O-CB 3.27Å; Q226-T230 WeakPolarHBondContact O-CB 3.45Å; Q226-T230 PolarHBondContact O-N 3.49Å; Q226-T230 PolarHBondContact O-OG1 2.74Å; Q226-T327 VanDerWaalsContact CG-O 3.23Å; Q226-T327 WeakPolarHBondContact CG-O 3.32Å
227E92.1Very high88.8Confident2 Ų254.6 Ų54.61%0.00927%0.269CS..Hα-helixtrans-61.7-47.2-179.8-174152.6-141.200111K207 Q223 F224 N225 T230 L231 I254 Y256 D323 F324K207-E227 IonicContact NZ-OE1 2.72Å; K207-E227 IonicContact NZ-OE2 2.71Å; K207-E227 PolarHBondContact NZ-OE2 3.33Å; Q223-E227 WeakPolarHBondContact O-CB 3.45Å; Q223-E227 PolarHBondContact O-N 3.1Å; F224-E227 PolarHBondContact O-N 3.4Å; N225-E227 PolarHBondContact O-N 3.41Å; E227-T230 PolarHBondContact O-N 2.97Å; E227-L231 HydrophobicContact CG-CD1 4.08Å; E227-L231 WeakPolarHBondContact O-CB 3.43Å; E227-L231 PolarHBondContact O-N 3.06Å; E227-I254 HydrophobicContact CB-CD1 3.9Å; E227-I254 HydrophobicContact CG-CD1 3.7Å; E227-I254 WeakPolarHBondContact OE2-CD1 3.44Å; E227-Y256 WeakPolarHBondContact CG-OH 3.47Å; E227-Y256 PolarHBondContact OE1-OH 2.84Å; E227-Y256 PolarHBondContact OE2-OH 2.81Å; E227-D323 WeakPolarHBondContact OE1-CA 3.29Å; E227-F324 HydrophobicContact CG-CB 4.19Å; E227-F324 PolarHBondContact OE1-N 3.29Å
228I91.9Very high89.8Confident6 Ų649.3 Ų49.33%0.03124%0.241CC..Hα-helixtrans-61.3-48.5176.9-70.2169.7000111.7F224 N225 T230 L231 K232 M242 F245 I254F224-I228 HydrophobicContact CD1-CD1 3.87Å; F224-I228 HydrophobicContact CD2-CD1 3.94Å; F224-I228 HydrophobicContact CE1-CD1 3.41Å; F224-I228 VanDerWaalsContact CE1-CD1 3.41Å; F224-I228 HydrophobicContact CE2-CD1 3.52Å; F224-I228 HydrophobicContact CE2-CG1 4.5Å; F224-I228 HydrophobicContact CG-CD1 4.14Å; F224-I228 HydrophobicContact CZ-CD1 3.25Å; F224-I228 WeakPolarHBondContact O-CG1 3.48Å; F224-I228 PolarHBondContact O-N 3.45Å; F224-I228 VanDerWaalsContact O-N 3.08Å; N225-I228 PolarHBondContact O-N 2.96Å; I228-T230 VanDerWaalsContact C-N 3.31Å; I228-T230 PolarHBondContact O-N 2.92Å; I228-L231 PolarHBondContact O-N 3.28Å; I228-K232 HydrophobicContact CG2-CD 3.86Å; I228-K232 HydrophobicContact CG2-CG 4.31Å; I228-K232 WeakPolarHBondContact O-CB 3.27Å; I228-K232 VanDerWaalsContact O-CG 3.26Å; I228-K232 WeakPolarHBondContact O-CG 3.38Å; I228-K232 PolarHBondContact O-N 3.23Å; I228-M242 HydrophobicContact CG1-SD 4.12Å; I228-M242 HydrophobicContact CG2-CE 4.37Å; I228-F245 HydrophobicContact CD1-CB 3.66Å; I228-F245 HydrophobicContact CD1-CD1 4.07Å; I228-F245 HydrophobicContact CD1-CD2 3.83Å; I228-F245 HydrophobicContact CD1-CG 3.56Å; I228-F245 HydrophobicContact CG1-CB 4.21Å; I228-F245 HydrophobicContact CG1-CD1 4.42Å; I228-F245 HydrophobicContact CG1-CG 4.28Å; I228-F245 HydrophobicContact CG2-CD1 4.22Å; I228-F245 HydrophobicContact CG2-CE1 4.33Å; I228-I254 HydrophobicContact CG1-CD1 4.31Å; I228-I254 HydrophobicContact CG1-CG1 4.47Å
229Q91.5Very high90.6Very high110 Ų11045.6 Ų45.651%0.51422%0.221SC..Hα-helixtrans-65.2-38.9-177.7-67.5-61.4-18.600111.3N225 Q226N225-Q229 WeakPolarHBondContact O-CB 3.35Å; N225-Q229 WeakPolarHBondContact O-CG 3.49Å; N225-Q229 PolarHBondContact O-N 3.1Å; Q226-Q229 PolarHBondContact O-N 2.89Å
230T89.6Confident91.5Very high2 Ų242.6 Ų42.61%0.01221%0.208CC..Hα-helixtrans-62.7-52.1176.5-54.80000110.5Q226 E227 I228 K232 V233 L234 F324 T327Q226-T230 PolarHBondContact NE2-OG1 3.01Å; Q226-T230 VanDerWaalsContact O-CB 3.27Å; Q226-T230 WeakPolarHBondContact O-CB 3.45Å; Q226-T230 PolarHBondContact O-N 3.49Å; Q226-T230 PolarHBondContact O-OG1 2.74Å; E227-T230 PolarHBondContact O-N 2.97Å; I228-T230 VanDerWaalsContact C-N 3.31Å; I228-T230 PolarHBondContact O-N 2.92Å; T230-K232 VanDerWaalsContact C-N 3.33Å; T230-K232 PolarHBondContact O-N 3.29Å; T230-V233 PolarHBondContact O-N 3.3Å; T230-L234 HydrophobicContact CG2-CD1 3.54Å; T230-L234 HydrophobicContact CG2-CG 4.27Å; T230-L234 WeakPolarHBondContact O-CB 3.33Å; T230-L234 WeakPolarHBondContact O-CG 3.06Å; T230-L234 PolarHBondContact O-N 3.14Å; T230-F324 HydrophobicContact CG2-CB 4.06Å; T230-F324 HydrophobicContact CG2-CD1 3.8Å; T230-F324 HydrophobicContact CG2-CG 4.13Å; T230-T327 HydrophobicContact CG2-CG2 3.95Å
231L91.1Very high92Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-77.8-13.6-175.3-71.5175.1000114.6E227 I228 K235 V240 M242 Y256 F324E227-L231 HydrophobicContact CG-CD1 4.08Å; E227-L231 WeakPolarHBondContact O-CB 3.43Å; E227-L231 PolarHBondContact O-N 3.06Å; I228-L231 PolarHBondContact O-N 3.28Å; L231-K235 VanDerWaalsContact O-CE 3.25Å; L231-K235 WeakPolarHBondContact O-CE 3.21Å; L231-K235 PolarHBondContact O-NZ 3.43Å; L231-V240 HydrophobicContact CD1-CG1 4.44Å; L231-M242 HydrophobicContact CB-CB 3.96Å; L231-M242 HydrophobicContact CB-CE 3.88Å; L231-M242 HydrophobicContact CB-SD 4.25Å; L231-M242 HydrophobicContact CD1-CB 4.02Å; L231-Y256 HydrophobicContact CD1-CD1 4.49Å; L231-Y256 HydrophobicContact CD1-CE1 3.59Å; L231-F324 HydrophobicContact CD1-CD2 3.87Å; L231-F324 HydrophobicContact CD1-CE2 4.43Å; L231-F324 HydrophobicContact CD2-CD2 3.63Å; L231-F324 HydrophobicContact CD2-CE2 3.59Å; L231-F324 HydrophobicContact CD2-CG 4.27Å; L231-F324 HydrophobicContact CD2-CZ 4.2Å; L231-F324 HydrophobicContact CG-CD2 3.83Å; L231-F324 HydrophobicContact CG-CE2 4.3Å; L231-F324 HydrophobicContact CG-CG 4.29Å
232K90Very high92.4Very high89 Ų8941.6 Ų41.639%0.38721%0.206SC..Hα-helixtrans-68.2-38166.9-86.2176.8177.1-1800111.6V159 I228 T230 M242V159-K232 HydrophobicContact CB-CG 4.33Å; V159-K232 HydrophobicContact CG2-CG 3.8Å; I228-K232 HydrophobicContact CG2-CD 3.86Å; I228-K232 HydrophobicContact CG2-CG 4.31Å; I228-K232 WeakPolarHBondContact O-CB 3.27Å; I228-K232 VanDerWaalsContact O-CG 3.26Å; I228-K232 WeakPolarHBondContact O-CG 3.38Å; I228-K232 PolarHBondContact O-N 3.23Å; T230-K232 VanDerWaalsContact C-N 3.33Å; T230-K232 PolarHBondContact O-N 3.29Å; K232-M242 HydrophobicContact CG-CE 4.02Å
233V89.8Confident92.8Very high103 Ų10340.2 Ų40.262%0.62420%0.2SC*.Hα-helixtrans-94.4-42.4-173.8179.60000111.8T230T230-V233 PolarHBondContact O-N 3.3Å
234L92.2Very high93.3Very high3 Ų339.8 Ų39.82%0.01620%0.198CC..  trans-88.8118.6-173.5-60.1-174.4000110.2T230 L239 Y295 L296 N299 H301T230-L234 HydrophobicContact CG2-CD1 3.54Å; T230-L234 HydrophobicContact CG2-CG 4.27Å; T230-L234 WeakPolarHBondContact O-CB 3.33Å; T230-L234 WeakPolarHBondContact O-CG 3.06Å; T230-L234 PolarHBondContact O-N 3.14Å; L234-L239 HydrophobicContact CB-CD1 4.12Å; L234-Y295 HydrophobicContact CB-CE1 3.99Å; L234-Y295 HydrophobicContact CD2-CE1 4.02Å; L234-L296 HydrophobicContact CD1-CD2 3.48Å; L234-L296 VanDerWaalsContact CD1-CD2 3.48Å; L234-N299 HydrophobicContact CD2-CB 3.76Å; L234-H301 HydrophobicContact CD1-CB 4.2Å
235K94.6Very high93.5Very high91 Ų9141 Ų4140%0.39620%0.203SC..  trans-134.8117.3179.6-62.8-61.6-177.2-1650109.5L231 Y295L231-K235 VanDerWaalsContact O-CE 3.25Å; L231-K235 WeakPolarHBondContact O-CE 3.21Å; L231-K235 PolarHBondContact O-NZ 3.43Å; K235-Y295 PolarHBondContact N-OH 3.13Å; K235-Y295 VanDerWaalsContact N-OH 3.09Å; K235-Y295 PolarHBondContact O-OH 3.49Å; K235-Y295 VanDerWaalsContact O-OH 3.09Å
236H96.8Very high93.7Very high54 Ų5437.7 Ų37.725%0.2519%0.185CC..  trans-158.5148.9-177.6-179.4-92.2000109.9N238 L239 Y295H236-N238 PolarHBondContact CE1-OD1 3.03Å; H236-N238 PolarHBondContact ND1-N 2.9Å; H236-N238 VanDerWaalsContact ND1-N 3.1Å; H236-N238 PolarHBondContact O-N 3.34Å; H236-N238 VanDerWaalsContact O-N 3.13Å; H236-L239 HydrophobicContact CB-CD1 4.04Å; H236-L239 HydrophobicContact CB-CG 3.98Å; H236-L239 PolarHBondContact O-N 3.34Å; H236-Y295 HydrophobicContact CB-CD1 3.65Å; H236-Y295 HydrophobicContact CB-CD2 3.95Å; H236-Y295 HydrophobicContact CB-CE1 3.82Å; H236-Y295 HydrophobicContact CB-CE2 4.11Å; H236-Y295 HydrophobicContact CB-CG 3.71Å; H236-Y295 AromaticContact CD2-CD2 3.54Å; H236-Y295 AromaticContact CD2-CG 3.67Å; H236-Y295 AromaticContact CG-CD2 3.94Å; H236-Y295 AromaticContact CG-CG 3.69Å
237E97.1Very high93.8Very high121 Ų12138.7 Ų38.757%0.56520%0.197SC*.THydrogen-bonded Turntrans-54-36.5-176-176.1-178.1175.100113.1V318 K320E237-V318 HydrophobicContact CG-CG1 4.44Å; E237-K320 PolarHBondContact O-NZ 3.16Å
238N98.2Very high93.6Very high1 Ų140.9 Ų40.91%0.00521%0.209CC..THydrogen-bonded Turntrans-96.620-179.6-57.5111.9000114.9H236 G288 R291 A319 K320 I321H236-N238 PolarHBondContact CE1-OD1 3.03Å; H236-N238 PolarHBondContact ND1-N 2.9Å; H236-N238 VanDerWaalsContact ND1-N 3.1Å; H236-N238 PolarHBondContact O-N 3.34Å; H236-N238 VanDerWaalsContact O-N 3.13Å; N238-G288 WeakPolarHBondContact CB-O 3.32Å; N238-G288 WeakPolarHBondContact ND2-CA 3.34Å; N238-G288 PolarHBondContact OD1-O 2.73Å; N238-R291 WeakPolarHBondContact OD1-CB 3.44Å; N238-R291 PolarHBondContact OD1-NE 2.91Å; N238-A319 VanDerWaalsContact CA-O 3.25Å; N238-A319 WeakPolarHBondContact CA-O 3.36Å; N238-A319 WeakPolarHBondContact CB-O 3.31Å; N238-A319 PolarHBondContact ND2-O 3.13Å; N238-K320 WeakPolarHBondContact O-CA 3.46Å; N238-I321 PolarHBondContact O-N 3.14Å
239L97.8Very high93.2Very high2 Ų246.8 Ų46.81%0.0124%0.236CC..BIsolated β-bridgetrans-116.5149.7166.6-54.1-179.2000109.2L234 H236 Y295 L296 I321 F324L234-L239 HydrophobicContact CB-CD1 4.12Å; H236-L239 HydrophobicContact CB-CD1 4.04Å; H236-L239 HydrophobicContact CB-CG 3.98Å; H236-L239 PolarHBondContact O-N 3.34Å; L239-Y295 HydrophobicContact CD1-CD1 3.7Å; L239-Y295 HydrophobicContact CD1-CE1 3.81Å; L239-L296 HydrophobicContact CD1-CD2 3.81Å; L239-L296 HydrophobicContact CD1-CG 4.47Å; L239-L296 HydrophobicContact CD2-CD1 4.15Å; L239-L296 HydrophobicContact CD2-CD2 4.09Å; L239-L296 HydrophobicContact CD2-CG 4.01Å; L239-I321 HydrophobicContact CD2-CB 3.91Å; L239-I321 HydrophobicContact CD2-CD1 4.15Å; L239-I321 HydrophobicContact CD2-CG1 4.4Å; L239-F324 HydrophobicContact CB-CZ 4.28Å; L239-F324 HydrophobicContact CD2-CE1 4.32Å; L239-F324 HydrophobicContact CD2-CZ 3.93Å; L239-F324 HydrophobicContact CG-CZ 4.45Å
240V95.8Very high92.7Very high4 Ų450.3 Ų50.32%0.02425%0.253CS..PPolyproline II helixtrans-68.1136.4178.875.70000111L231 M242 Y256 M259 I321 F324L231-V240 HydrophobicContact CD1-CG1 4.44Å; V240-M242 PolarHBondContact O-N 3.45Å; V240-Y256 HydrophobicContact CG1-CD1 3.8Å; V240-Y256 HydrophobicContact CG1-CE1 3.99Å; V240-Y256 HydrophobicContact CG2-CD1 4.1Å; V240-Y256 HydrophobicContact CG2-CG 4.44Å; V240-M259 HydrophobicContact CG2-CE 4.25Å; V240-I321 PolarHBondContact N-O 3.43Å; V240-F324 HydrophobicContact CG1-CE2 4.09Å
241D93Very high92.5Very high69 Ų6952.9 Ų52.937%0.36927%0.265SS..PPolyproline II helixtrans-82.6117.5177.7-72.8-50.3000111.3Y256 A257D241-Y256 CarbonylContact O-C 3.49Å; D241-Y256 WeakPolarHBondContact O-CA 3.39Å; D241-A257 HydrophobicContact CB-CB 4.12Å; D241-A257 PolarHBondContact O-N 3.23Å
242M94.8Very high92.6Very high11 Ų1154 Ų545%0.05427%0.27CS..EExtended strand (participates in β ladder)trans-78.3124.8166.9-174.6178.659.700110.3V159 I228 L231 K232 V240 I254 Y256V159-M242 HydrophobicContact CB-CE 4.12Å; V159-M242 HydrophobicContact CG1-CE 3.43Å; V159-M242 VanDerWaalsContact CG1-CE 3.43Å; V159-M242 HydrophobicContact CG1-CG 4.45Å; V159-M242 HydrophobicContact CG1-SD 4.2Å; V159-M242 HydrophobicContact CG2-CE 3.53Å; I228-M242 HydrophobicContact CG1-SD 4.12Å; I228-M242 HydrophobicContact CG2-CE 4.37Å; L231-M242 HydrophobicContact CB-CB 3.96Å; L231-M242 HydrophobicContact CB-CE 3.88Å; L231-M242 HydrophobicContact CB-SD 4.25Å; L231-M242 HydrophobicContact CD1-CB 4.02Å; K232-M242 HydrophobicContact CG-CE 4.02Å; V240-M242 PolarHBondContact O-N 3.45Å; M242-I254 HydrophobicContact CG-CG2 3.86Å; M242-I254 HydrophobicContact SD-CG2 3.71Å; M242-Y256 HydrophobicContact CB-CD1 4.37Å; M242-Y256 HydrophobicContact CB-CE1 4.38Å
243V95.3Very high92.9Very high42 Ų4249.8 Ų49.826%0.25525%0.252SS..EExtended strand (participates in β ladder)trans-85.7-39.8175.21780000110.6S160 F162 L199 V255S160-V243 PolarHBondContact N-O 2.87Å; F162-V243 HydrophobicContact CE2-CG1 4.31Å; F162-V243 HydrophobicContact CZ-CG1 4.17Å; L199-V243 HydrophobicContact CD2-CG1 4.22Å; V243-V255 HydrophobicContact CB-CB 4.32Å; V243-V255 HydrophobicContact CB-CG1 4.04Å; V243-V255 HydrophobicContact CG1-CG1 4.37Å; V243-V255 PolarHBondContact N-O 3.15Å
244G95.3Very high93.2Very high0 Ų044.9 Ų44.90%022%0.222CC..EExtended strand (participates in β ladder)trans178.1-169.5-178.300000113.6S160 V255S160-G244 CarbonylContact O-C 3.49Å; S160-G244 WeakPolarHBondContact O-CA 3.45Å; G244-V255 PolarHBondContact N-O 3.16Å; G244-V255 PolarHBondContact O-N 3.4Å
245F96.1Very high93.4Very high32 Ų3244.8 Ų44.814%0.1422%0.222CC..EExtended strand (participates in β ladder)trans-149.8165.7179.363-85000111.1V159 S160 S161 F162 F224 I228 C253V159-F245 HydrophobicContact CG1-CD1 3.62Å; V159-F245 HydrophobicContact CG1-CE1 3.81Å; S160-F245 PolarHBondContact O-N 3.03Å; S161-F245 WeakPolarHBondContact CA-O 3.39Å; F162-F245 PolarHBondContact N-O 3.24Å; F224-F245 HydrophobicContact CE2-CB 4.35Å; F224-F245 HydrophobicContact CZ-CB 4.19Å; F224-F245 HydrophobicContact CZ-CD2 4.06Å; F224-F245 HydrophobicContact CZ-CG 4.49Å; I228-F245 HydrophobicContact CD1-CB 3.66Å; I228-F245 HydrophobicContact CD1-CD1 4.07Å; I228-F245 HydrophobicContact CD1-CD2 3.83Å; I228-F245 HydrophobicContact CD1-CG 3.56Å; I228-F245 HydrophobicContact CG1-CB 4.21Å; I228-F245 HydrophobicContact CG1-CD1 4.42Å; I228-F245 HydrophobicContact CG1-CG 4.28Å; I228-F245 HydrophobicContact CG2-CD1 4.22Å; I228-F245 HydrophobicContact CG2-CE1 4.33Å; F245-C253 CarbonylContact C-O 3.57Å; F245-C253 VanDerWaalsContact CA-O 3.22Å; F245-C253 WeakPolarHBondContact CA-O 3.35Å; F245-C253 WeakPolarHBondContact CB-O 3.25Å
246S95.4Very high93.5Very high0 Ų041.3 Ų41.30%021%0.206CC..EExtended strand (participates in β ladder)trans-137.9141.1171.8157.80000108.1F162 Y164 L167 F224 D248 M252 C253F162-S246 VanDerWaalsContact O-CB 3.24Å; F162-S246 WeakPolarHBondContact O-CB 3.46Å; Y164-S246 PolarHBondContact N-OG 3.32Å; L167-S246 VanDerWaalsContact CD1-CB 3.46Å; F224-S246 WeakPolarHBondContact CZ-O 3.34Å; S246-D248 PolarHBondContact OG-OD1 3.16Å; S246-M252 WeakPolarHBondContact O-CA 3.23Å; S246-C253 PolarHBondContact N-O 3.45Å; S246-C253 PolarHBondContact O-N 2.88Å
247C91.6Very high93.4Very high71 Ų7139.2 Ų39.248%0.4820%0.199SC..  trans-143.712178.164.40000112.7F224 Q251F224-C247 HydrophobicContact CE1-CB 3.89Å; F224-C247 HydrophobicContact CZ-CB 3.9Å; C247-Q251 WeakPolarHBondContact CA-O 3.28Å
248D88.4Confident93.4Very high48 Ų4835.6 Ų35.626%0.25718%0.181SC..G310 helixtrans-74.2163.3172.556.7-45.2000111.1M163 Y164 S246 Q250 Q251M163-D248 WeakPolarHBondContact CA-OD2 3.44Å; Y164-D248 VanDerWaalsContact N-CG 3.26Å; Y164-D248 PolarHBondContact N-OD1 3.31Å; Y164-D248 PolarHBondContact N-OD2 3.33Å; S246-D248 PolarHBondContact OG-OD1 3.16Å; D248-Q250 PolarHBondContact O-N 2.88Å; D248-Q251 PolarHBondContact O-N 3.44Å
249E82.3Confident93.4Very high129 Ų12936.2 Ų36.260%0.60318%0.184SC*.G310 helixtrans56.622.9178.9-55.7-177.7-16900115Y164 Q251Y164-E249 WeakPolarHBondContact CD1-OE2 3.31Å; E249-Q251 PolarHBondContact O-N 3.4Å
250Q80.9Confident93.3Very high184 Ų18438.5 Ų38.586%0.8620%0.203SC*.G310 helixtrans58.622.4-172.8-55.7-179.5-18.200113.6D248D248-Q250 PolarHBondContact O-N 2.88Å
251Q87.2Confident93.4Very high57 Ų5740.5 Ų40.527%0.26621%0.214SC..  trans-108.5116.1176.7-62.2-62.3-52.300109.3Y164 C247 D248 E249Y164-Q251 HydrophobicContact CD1-CB 4.36Å; Y164-Q251 HydrophobicContact CD1-CG 4.09Å; Y164-Q251 HydrophobicContact CD2-CB 3.38Å; Y164-Q251 HydrophobicContact CD2-CG 3.92Å; Y164-Q251 HydrophobicContact CE1-CB 4.45Å; Y164-Q251 HydrophobicContact CE1-CG 3.9Å; Y164-Q251 HydrophobicContact CE2-CB 3.5Å; Y164-Q251 VanDerWaalsContact CE2-CB 3.5Å; Y164-Q251 HydrophobicContact CE2-CG 3.73Å; Y164-Q251 HydrophobicContact CG-CB 3.84Å; Y164-Q251 HydrophobicContact CG-CG 4.09Å; C247-Q251 WeakPolarHBondContact CA-O 3.28Å; D248-Q251 PolarHBondContact O-N 3.44Å; E249-Q251 PolarHBondContact O-N 3.4Å
252M92.9Very high93.5Very high24 Ų2438.6 Ų38.612%0.11821%0.21CC..  trans-94.9117.5178.8-66.2175.3-160.300109.6L209 Q221 F224 S246L209-M252 HydrophobicContact CB-CB 4.18Å; L209-M252 HydrophobicContact CD1-CB 3.82Å; L209-M252 PolarHBondContact N-O 3.16Å; Q221-M252 HydrophobicContact CB-CE 3.85Å; Q221-M252 HydrophobicContact CB-SD 4.31Å; Q221-M252 HydrophobicContact CG-CE 3.8Å; Q221-M252 HydrophobicContact CG-SD 4.39Å; F224-M252 HydrophobicContact CB-SD 3.89Å; F224-M252 HydrophobicContact CD1-CG 4.2Å; F224-M252 HydrophobicContact CD1-SD 4.05Å; F224-M252 HydrophobicContact CD2-CB 3.78Å; F224-M252 HydrophobicContact CD2-CG 4.34Å; F224-M252 HydrophobicContact CE1-CG 4.36Å; F224-M252 HydrophobicContact CE2-CB 3.9Å; F224-M252 HydrophobicContact CE2-CG 4.46Å; F224-M252 HydrophobicContact CG-CB 4.06Å; F224-M252 HydrophobicContact CG-CG 4.16Å; F224-M252 HydrophobicContact CG-SD 3.95Å; F224-M252 HydrophobicContact CZ-CB 4.32Å; F224-M252 HydrophobicContact CZ-CG 4.46Å; S246-M252 WeakPolarHBondContact O-CA 3.23Å
253C95.3Very high93.6Very high0 Ų038.5 Ų38.50%021%0.211CC..EExtended strand (participates in β ladder)trans-131.6139.6179.4-69.20000110.7L167 V206 K207 F245 S246L167-C253 HydrophobicContact CD1-CB 3.44Å; L167-C253 VanDerWaalsContact CD1-CB 3.44Å; V206-C253 HydrophobicContact CG1-CB 4.27Å; K207-C253 CarbonylContact O-C 3.48Å; K207-C253 VanDerWaalsContact O-CA 3.24Å; K207-C253 WeakPolarHBondContact O-CA 3.39Å; F245-C253 CarbonylContact C-O 3.57Å; F245-C253 VanDerWaalsContact CA-O 3.22Å; F245-C253 WeakPolarHBondContact CA-O 3.35Å; F245-C253 WeakPolarHBondContact CB-O 3.25Å; S246-C253 PolarHBondContact N-O 3.45Å; S246-C253 PolarHBondContact O-N 2.88Å
254I95.6Very high93.8Very high0 Ų036.5 Ų36.50%020%0.199CC..EExtended strand (participates in β ladder)trans-119.8132.7173.1-50.1175.4000108.7K207 L209 F224 E227 I228 M242 Y256K207-I254 PolarHBondContact N-O 3.46Å; K207-I254 PolarHBondContact O-N 3.14Å; L209-I254 HydrophobicContact CD1-CD1 4.38Å; L209-I254 HydrophobicContact CD1-CG1 4.41Å; F224-I254 HydrophobicContact CD2-CD1 3.85Å; F224-I254 HydrophobicContact CD2-CG1 3.69Å; F224-I254 HydrophobicContact CE2-CD1 4.27Å; F224-I254 HydrophobicContact CE2-CG1 3.63Å; E227-I254 HydrophobicContact CB-CD1 3.9Å; E227-I254 HydrophobicContact CG-CD1 3.7Å; E227-I254 WeakPolarHBondContact OE2-CD1 3.44Å; I228-I254 HydrophobicContact CG1-CD1 4.31Å; I228-I254 HydrophobicContact CG1-CG1 4.47Å; M242-I254 HydrophobicContact CG-CG2 3.86Å; M242-I254 HydrophobicContact SD-CG2 3.71Å; I254-Y256 HydrophobicContact CB-CE2 3.79Å; I254-Y256 HydrophobicContact CG2-CD2 4.42Å; I254-Y256 HydrophobicContact CG2-CE1 3.83Å; I254-Y256 HydrophobicContact CG2-CE2 3.68Å; I254-Y256 VanDerWaalsContact CG2-OH 3.25Å; I254-Y256 WeakPolarHBondContact CG2-OH 3.38Å
255V97Very high93.9Very high0 Ų039.2 Ų39.20%021%0.213CC..EExtended strand (participates in β ladder)trans-106.5124.2-177.3-170.20000109.2F162 L167 V204 A205 V206 V243 G244F162-V255 HydrophobicContact CD2-CG2 3.87Å; F162-V255 HydrophobicContact CE2-CB 4.26Å; F162-V255 HydrophobicContact CE2-CG2 4.05Å; L167-V255 HydrophobicContact CD1-CG2 4.09Å; L167-V255 HydrophobicContact CD2-CG2 3.67Å; V204-V255 HydrophobicContact CB-CG1 3.88Å; V204-V255 HydrophobicContact CG1-CG1 4.21Å; V204-V255 HydrophobicContact CG2-CG1 4.08Å; A205-V255 CarbonylContact O-C 3.54Å; A205-V255 WeakPolarHBondContact O-CA 3.17Å; V206-V255 HydrophobicContact CG2-CG1 4.43Å; V206-V255 HydrophobicContact CG2-CG2 4.47Å; V243-V255 HydrophobicContact CB-CB 4.32Å; V243-V255 HydrophobicContact CB-CG1 4.04Å; V243-V255 HydrophobicContact CG1-CG1 4.37Å; V243-V255 PolarHBondContact N-O 3.15Å; G244-V255 PolarHBondContact N-O 3.16Å; G244-V255 PolarHBondContact O-N 3.4Å
256Y96.4Very high93.9Very high18 Ų1840.6 Ų40.67%0.07122%0.222CC..EExtended strand (participates in β ladder)trans-116.3158.6-179.8-58.3-79.7000111.7V204 A205 K207 E227 L231 V240 D241 M242 I254V204-Y256 WeakPolarHBondContact CA-O 3.48Å; V204-Y256 WeakPolarHBondContact CB-O 3.45Å; A205-Y256 PolarHBondContact N-O 2.65Å; A205-Y256 PolarHBondContact O-N 3.47Å; K207-Y256 HydrophobicContact CB-CD2 4.4Å; K207-Y256 HydrophobicContact CB-CE2 3.82Å; K207-Y256 HydrophobicContact CD-CE2 4.17Å; E227-Y256 WeakPolarHBondContact CG-OH 3.47Å; E227-Y256 PolarHBondContact OE1-OH 2.84Å; E227-Y256 PolarHBondContact OE2-OH 2.81Å; L231-Y256 HydrophobicContact CD1-CD1 4.49Å; L231-Y256 HydrophobicContact CD1-CE1 3.59Å; V240-Y256 HydrophobicContact CG1-CD1 3.8Å; V240-Y256 HydrophobicContact CG1-CE1 3.99Å; V240-Y256 HydrophobicContact CG2-CD1 4.1Å; V240-Y256 HydrophobicContact CG2-CG 4.44Å; D241-Y256 CarbonylContact O-C 3.49Å; D241-Y256 WeakPolarHBondContact O-CA 3.39Å; M242-Y256 HydrophobicContact CB-CD1 4.37Å; M242-Y256 HydrophobicContact CB-CE1 4.38Å; I254-Y256 HydrophobicContact CB-CE2 3.79Å; I254-Y256 HydrophobicContact CG2-CD2 4.42Å; I254-Y256 HydrophobicContact CG2-CE1 3.83Å; I254-Y256 HydrophobicContact CG2-CE2 3.68Å; I254-Y256 VanDerWaalsContact CG2-OH 3.25Å; I254-Y256 WeakPolarHBondContact CG2-OH 3.38Å
257A95.9Very high94Very high11 Ų1141.3 Ų41.39%0.09123%0.225CC..EExtended strand (participates in β ladder)trans-57138.2160.900000109.9D241 M259D241-A257 HydrophobicContact CB-CB 4.12Å; D241-A257 PolarHBondContact O-N 3.23Å; A257-M259 HydrophobicContact CB-CE 3.76Å; A257-M259 VanDerWaalsContact O-CE 3.31Å; A257-M259 WeakPolarHBondContact O-CE 3.42Å
258F97Very high94.2Very high44 Ų4438.1 Ų38.119%0.19320%0.203CC..  trans-73.4129.9180178-113.4000111.3L186 K196 A203 A260L186-F258 HydrophobicContact CD1-CD2 4.08Å; L186-F258 HydrophobicContact CD1-CE2 3.82Å; L186-F258 HydrophobicContact CD2-CE2 3.8Å; L186-F258 HydrophobicContact CD2-CZ 4.49Å; L186-F258 HydrophobicContact CG-CE2 4.5Å; K196-F258 HydrophobicContact CD-CE2 4.26Å; K196-F258 HydrophobicContact CD-CZ 4.31Å; K196-F258 HydrophobicContact CG-CD2 4.47Å; K196-F258 HydrophobicContact CG-CE2 4.29Å; A203-F258 HydrophobicContact CB-CB 3.76Å; A203-F258 HydrophobicContact CB-CD1 3.75Å; A203-F258 HydrophobicContact CB-CG 3.86Å; A203-F258 WeakPolarHBondContact O-CB 3.4Å; F258-A260 HydrophobicContact CD1-CB 4.41Å; F258-A260 HydrophobicContact CE1-CB 4.07Å
259M97.4Very high94.6Very high15 Ų1539 Ų397%0.07422%0.217CC..  trans-97.699.8178.3-62.4-62.9119.300108.7V240 A257 N261 G262 L312 L313 D314 K320V240-M259 HydrophobicContact CG2-CE 4.25Å; A257-M259 HydrophobicContact CB-CE 3.76Å; A257-M259 VanDerWaalsContact O-CE 3.31Å; A257-M259 WeakPolarHBondContact O-CE 3.42Å; M259-N261 PolarHBondContact O-N 2.97Å; M259-G262 PolarHBondContact O-N 3.33Å; M259-G262 VanDerWaalsContact O-N 3.14Å; M259-L312 HydrophobicContact CB-CB 3.87Å; M259-L312 HydrophobicContact CB-CD1 4.32Å; M259-L312 HydrophobicContact CG-CB 3.59Å; M259-L312 HydrophobicContact CG-CD1 3.76Å; M259-L312 HydrophobicContact CG-CG 4.32Å; M259-L312 HydrophobicContact SD-CB 4.38Å; M259-L313 CarbonylContact C-O 3.51Å; M259-L313 WeakPolarHBondContact CB-O 3.42Å; M259-D314 HydrophobicContact SD-CB 4Å; M259-K320 HydrophobicContact CE-CD 3.85Å; M259-K320 HydrophobicContact SD-CB 4.33Å; M259-K320 HydrophobicContact SD-CD 3.67Å; M259-K320 HydrophobicContact SD-CG 4.3Å
260A96Very high95.3Very high50 Ų5034.2 Ų34.241%0.41320%0.197SC..THydrogen-bonded Turntrans-63.5-26.4-16700000114.2F258 L313 E315F258-A260 HydrophobicContact CD1-CB 4.41Å; F258-A260 HydrophobicContact CE1-CB 4.07Å; A260-L313 PolarHBondContact N-O 3.2Å; A260-E315 HydrophobicContact CB-CB 4.2Å
261N97.1Very high95.9Very high45 Ų4529.6 Ų29.624%0.24118%0.178CC..THydrogen-bonded Turntrans-101.510.4-178.8-72.6-57.7000113.1M259 R267 L313 D314 F317M259-N261 PolarHBondContact O-N 2.97Å; N261-R267 WeakPolarHBondContact O-CD 3.38Å; N261-R267 WeakPolarHBondContact O-CG 3.17Å; N261-L313 HydrophobicContact CB-CB 3.63Å; N261-L313 PolarHBondContact N-O 2.71Å; N261-D314 PolarHBondContact ND2-O 2.93Å; N261-F317 HydrophobicContact CB-CD1 4.34Å; N261-F317 HydrophobicContact CB-CE1 4.14Å; N261-F317 WeakPolarHBondContact OD1-CZ 3.17Å
262G95.8Very high95.9Very high29 Ų2933.4 Ų33.430%0.29920%0.2SC..  trans67.5-149.3174.100000113.5M259 L312 L313M259-G262 PolarHBondContact O-N 3.33Å; M259-G262 VanDerWaalsContact O-N 3.14Å; G262-L312 CarbonylContact O-C 3.58Å; G262-L312 WeakPolarHBondContact O-CA 3.39Å; G262-L313 PolarHBondContact O-N 2.73Å
263S97.3Very high95.9Very high10 Ų1035.9 Ų35.97%0.0723%0.232CC..BIsolated β-bridgetrans-88.2154.5179.776.80000112.5L265 D266 R267 I311S263-L265 PolarHBondContact O-N 2.72Å; S263-D266 PolarHBondContact O-N 3.29Å; S263-D266 PolarHBondContact OG-N 2.95Å; S263-D266 VanDerWaalsContact OG-N 3.13Å; S263-D266 PolarHBondContact OG-OD2 3.31Å; S263-R267 WeakPolarHBondContact O-CB 3.4Å; S263-R267 WeakPolarHBondContact O-CG 3.11Å; S263-R267 PolarHBondContact O-N 3.13Å; S263-R267 VanDerWaalsContact O-N 3.11Å; S263-I311 CarbonylContact C-O 3.35Å
264L98.4Very high95.8Very high0 Ų037.1 Ų37.10%024%0.241CC..Hα-helixtrans-60.2-36.6171.7176.259.6000111.3R267 L268 L277 I285 S308 I311 V371 I375L264-R267 CarbonylContact O-C 3.58Å; L264-R267 WeakPolarHBondContact O-CA 3.19Å; L264-R267 PolarHBondContact O-N 3.24Å; L264-R267 VanDerWaalsContact O-N 3.09Å; L264-L268 HydrophobicContact CD1-CD1 4.02Å; L264-L268 HydrophobicContact CD1-CD2 4.37Å; L264-L268 HydrophobicContact CD1-CG 3.91Å; L264-L268 HydrophobicContact CG-CD1 3.93Å; L264-L268 HydrophobicContact CG-CG 4.3Å; L264-L268 WeakPolarHBondContact O-CG 3.26Å; L264-L268 PolarHBondContact O-N 3.27Å; L264-L277 HydrophobicContact CD1-CD1 3.9Å; L264-I285 HydrophobicContact CD1-CD1 4.32Å; L264-I285 HydrophobicContact CD1-CG2 3.95Å; L264-I285 HydrophobicContact CD2-CG2 3.84Å; L264-I285 HydrophobicContact CG-CG2 4.44Å; L264-S308 WeakPolarHBondContact CB-O 3.48Å; L264-S308 PolarHBondContact N-O 2.84Å; L264-I311 HydrophobicContact CB-CB 4.13Å; L264-I311 HydrophobicContact CB-CG2 4.18Å; L264-I311 WeakPolarHBondContact CB-O 3.27Å; L264-I311 HydrophobicContact CD2-CB 4.42Å; L264-I311 HydrophobicContact CD2-CD1 4.25Å; L264-I311 HydrophobicContact CD2-CG2 4.24Å; L264-I311 PolarHBondContact N-O 3.07Å; L264-V371 HydrophobicContact CD2-CG1 3.93Å; L264-I375 HydrophobicContact CD2-CD1 4.04Å; L264-I375 HydrophobicContact CD2-CG1 4.03Å
265L97.2Very high95.8Very high56 Ų5642 Ų4229%0.29327%0.272SS..Hα-helixtrans-56.7-54.4176.918062.4000111.4S263 R267 L268 A269 S308 A309S263-L265 PolarHBondContact O-N 2.72Å; L265-R267 PolarHBondContact O-N 3.46Å; L265-L268 PolarHBondContact O-N 3.09Å; L265-A269 PolarHBondContact O-N 3.37Å; L265-A269 VanDerWaalsContact O-N 3.13Å; L265-S308 WeakPolarHBondContact CB-OG 3.44Å; L265-S308 WeakPolarHBondContact CD1-OG 3.09Å; L265-S308 PolarHBondContact N-O 3.44Å; L265-A309 HydrophobicContact CB-CB 4.34Å; L265-A309 HydrophobicContact CD2-CB 3.96Å
266D95.8Very high95.8Very high61 Ų6144.9 Ų44.933%0.32629%0.291SS..Hα-helixtrans-61.7-28.9178.4-58.9-37.7000111.2S263 C270 L271S263-D266 PolarHBondContact O-N 3.29Å; S263-D266 PolarHBondContact OG-N 2.95Å; S263-D266 VanDerWaalsContact OG-N 3.13Å; S263-D266 PolarHBondContact OG-OD2 3.31Å; D266-C270 PolarHBondContact O-N 2.96Å; D266-C270 VanDerWaalsContact O-N 3.15Å; D266-L271 HydrophobicContact CB-CB 4.12Å; D266-L271 HydrophobicContact CB-CD2 4.23Å; D266-L271 PolarHBondContact O-N 3.28Å
267R97.6Very high95.8Very high16 Ų1644.1 Ų44.16%0.0629%0.288CS..Hα-helixtrans-78.2-32.6-177.9-66.8-96.237.362.99.6115.9N261 S263 L264 L265 S274 P275 L277 L313N261-R267 WeakPolarHBondContact O-CD 3.38Å; N261-R267 WeakPolarHBondContact O-CG 3.17Å; S263-R267 WeakPolarHBondContact O-CB 3.4Å; S263-R267 WeakPolarHBondContact O-CG 3.11Å; S263-R267 PolarHBondContact O-N 3.13Å; S263-R267 VanDerWaalsContact O-N 3.11Å; L264-R267 CarbonylContact O-C 3.58Å; L264-R267 WeakPolarHBondContact O-CA 3.19Å; L264-R267 PolarHBondContact O-N 3.24Å; L264-R267 VanDerWaalsContact O-N 3.09Å; L265-R267 PolarHBondContact O-N 3.46Å; R267-S274 VanDerWaalsContact NH1-CB 3.26Å; R267-S274 PolarHBondContact NH1-OG 3.18Å; R267-S274 PolarHBondContact NH2-OG 3.28Å; R267-P275 PolarHBondContact NH2-O 3.04Å; R267-L277 HydrophobicContact CB-CD1 3.94Å; R267-L277 HydrophobicContact CB-CG 4.34Å; R267-L313 HydrophobicContact CB-CD1 4.1Å; R267-L313 HydrophobicContact CG-CD1 3.8Å
268L97.6Very high95.8Very high4 Ų445.1 Ų45.12%0.02129%0.294CS..Hα-helixtrans-73.2-34169.3-67168.9000111.3L264 L265 C270 L277 E374L264-L268 HydrophobicContact CD1-CD1 4.02Å; L264-L268 HydrophobicContact CD1-CD2 4.37Å; L264-L268 HydrophobicContact CD1-CG 3.91Å; L264-L268 HydrophobicContact CG-CD1 3.93Å; L264-L268 HydrophobicContact CG-CG 4.3Å; L264-L268 WeakPolarHBondContact O-CG 3.26Å; L264-L268 PolarHBondContact O-N 3.27Å; L265-L268 PolarHBondContact O-N 3.09Å; L268-C270 VanDerWaalsContact C-N 3.28Å; L268-C270 PolarHBondContact O-N 2.86Å; L268-L277 HydrophobicContact CD2-CD1 4.38Å; L268-E374 HydrophobicContact CD1-CB 3.88Å
269A96.4Very high95.7Very high67 Ų6743.2 Ų43.255%0.55429%0.286SS*.THydrogen-bonded Turntrans-76.8-8.3177.400000114.5L265 L271L265-A269 PolarHBondContact O-N 3.37Å; L265-A269 VanDerWaalsContact O-N 3.13Å; A269-L271 PolarHBondContact O-N 2.84Å
270C96.3Very high95.5Very high27 Ų2751.2 Ų51.218%0.18232%0.315CS..THydrogen-bonded Turntrans53.337.2-172.9-60.40000113.4D266 L268 G273 S274D266-C270 PolarHBondContact O-N 2.96Å; D266-C270 VanDerWaalsContact O-N 3.15Å; L268-C270 VanDerWaalsContact C-N 3.28Å; L268-C270 PolarHBondContact O-N 2.86Å; C270-G273 PolarHBondContact O-N 3.29Å; C270-S274 WeakPolarHBondContact CA-OG 3.43Å; C270-S274 WeakPolarHBondContact CB-O 3.27Å; C270-S274 PolarHBondContact O-OG 2.85Å
271L92.8Very high95.4Very high88 Ų8851.4 Ų51.446%0.46131%0.308SS..G310 helixtrans-58.2149.1-179.7-165.667.6000111.1D266 A269 G273 S274D266-L271 HydrophobicContact CB-CB 4.12Å; D266-L271 HydrophobicContact CB-CD2 4.23Å; D266-L271 PolarHBondContact O-N 3.28Å; A269-L271 PolarHBondContact O-N 2.84Å; L271-G273 PolarHBondContact O-N 3.44Å; L271-S274 WeakPolarHBondContact O-CB 3.33Å; L271-S274 PolarHBondContact O-N 3.49Å; L271-S274 PolarHBondContact O-OG 3.43Å
272D88.6Confident95.4Very high136 Ų13649.3 Ų49.373%0.72730%0.296SS*.G310 helixtrans57.225.9-176.5-60-38.8000114.6S274D272-S274 PolarHBondContact O-N 2.91Å
273G91.9Very high95.3Very high77 Ų7748.3 Ų48.379%0.79429%0.285SS*.G310 helixtrans72.616.5174.800000114.3C270 L271C270-G273 PolarHBondContact O-N 3.29Å; L271-G273 PolarHBondContact O-N 3.44Å
274S94.6Very high95.2Very high26 Ų2652 Ų5218%0.18230%0.303CS..PPolyproline II helixtrans-66.2145.4178.4500000112.2R267 C270 L271 D272R267-S274 VanDerWaalsContact NH1-CB 3.26Å; R267-S274 PolarHBondContact NH1-OG 3.18Å; R267-S274 PolarHBondContact NH2-OG 3.28Å; C270-S274 WeakPolarHBondContact CA-OG 3.43Å; C270-S274 WeakPolarHBondContact CB-O 3.27Å; C270-S274 PolarHBondContact O-OG 2.85Å; L271-S274 WeakPolarHBondContact O-CB 3.33Å; L271-S274 PolarHBondContact O-N 3.49Å; L271-S274 PolarHBondContact O-OG 3.43Å; D272-S274 PolarHBondContact O-N 2.91Å
275P95.6Very high95.1Very high101 Ų10152.1 Ų52.166%0.65630%0.303SS*.PPolyproline II helixtrans-65.6149.6-176.526.4-33.8000111.8R267R267-P275 PolarHBondContact NH2-O 3.04Å
276P96.6Very high95.1Very high62 Ų6249.8 Ų49.840%0.40329%0.293SS..PPolyproline II helixtrans-57.9142.2171.8-22.833.1000111.9S278 K414P276-S278 PolarHBondContact O-N 3.22Å; P276-K414 HydrophobicContact CB-CB 3.9Å; P276-K414 WeakPolarHBondContact CB-O 3.23Å; P276-K414 HydrophobicContact CG-CB 3.98Å
277L96.3Very high95.1Very high2 Ų249.5 Ų49.51%0.0129%0.289CS..PPolyproline II helixtrans-69.1127.1170.2-64.9174.4000109.8L264 R267 L268 Q281 R282 I285 F317L264-L277 HydrophobicContact CD1-CD1 3.9Å; R267-L277 HydrophobicContact CB-CD1 3.94Å; R267-L277 HydrophobicContact CB-CG 4.34Å; L268-L277 HydrophobicContact CD2-CD1 4.38Å; L277-Q281 HydrophobicContact CD2-CB 4.38Å; L277-R282 HydrophobicContact CB-CG 3.92Å; L277-R282 PolarHBondContact O-NE 2.64Å; L277-I285 HydrophobicContact CD1-CD1 3.84Å; L277-I285 HydrophobicContact CD2-CD1 4.38Å; L277-F317 HydrophobicContact CD2-CD1 3.66Å; L277-F317 HydrophobicContact CD2-CE1 3.64Å
278S95.3Very high95Very high31 Ų3148.8 Ų48.822%0.21729%0.286CS..PPolyproline II helixtrans-62.3159.1170.763.60000111.3P276 R280 Q281 R282P276-S278 PolarHBondContact O-N 3.22Å; S278-R280 VanDerWaalsContact C-N 3.28Å; S278-R280 PolarHBondContact O-N 3.15Å; S278-Q281 PolarHBondContact O-N 3.43Å; S278-Q281 VanDerWaalsContact O-N 3.16Å; S278-Q281 WeakPolarHBondContact OG-CG 3.47Å; S278-Q281 PolarHBondContact OG-N 2.91Å; S278-Q281 PolarHBondContact OG-OE1 3.33Å; S278-R282 WeakPolarHBondContact O-CG 3.42Å; S278-R282 PolarHBondContact O-N 3.46Å
279W94.9Very high95.1Very high5 Ų548.6 Ų48.62%0.01929%0.285CS..Hα-helixtrans-54.2-45.8174.9175.3-125.4000112.4Q281 R282 C283 L376 M415 T416 W418 Q422 V423 I426W279-Q281 VanDerWaalsContact C-N 3.34Å; W279-Q281 PolarHBondContact O-N 3.44Å; W279-R282 HydrophobicContact CE3-CB 4.38Å; W279-R282 WeakPolarHBondContact O-CB 3.42Å; W279-R282 PolarHBondContact O-N 3.02Å; W279-R282 VanDerWaalsContact O-N 3.14Å; W279-C283 VanDerWaalsContact CD2-SG 3.56Å; W279-C283 PolarHBondContact O-N 3.4Å; W279-C283 PolarHBondContact O-SG 3.39Å; W279-L376 HydrophobicContact CH2-CD2 3.9Å; W279-L376 HydrophobicContact CZ3-CD2 3.88Å; W279-M415 HydrophobicContact CB-CG 4.04Å; W279-M415 HydrophobicContact CB-SD 4.35Å; W279-M415 HydrophobicContact CD2-SD 4.2Å; W279-M415 HydrophobicContact CE3-CE 3.81Å; W279-M415 HydrophobicContact CE3-CG 4.43Å; W279-M415 HydrophobicContact CE3-SD 3.29Å; W279-M415 HydrophobicContact CZ3-CE 4.04Å; W279-M415 HydrophobicContact CZ3-SD 3.84Å; W279-T416 VanDerWaalsContact CB-O 3.28Å; W279-T416 WeakPolarHBondContact CB-O 3.42Å; W279-T416 PolarHBondContact N-O 3.32Å; W279-W418 HydrophobicContact CB-CB 4.05Å; W279-W418 HydrophobicContact CD2-CB 3.93Å; W279-W418 HydrophobicContact CG-CB 3.72Å; W279-Q422 HydrophobicContact CZ2-CB 3.82Å; W279-V423 HydrophobicContact CH2-CB 4.38Å; W279-V423 HydrophobicContact CH2-CG2 3.86Å; W279-V423 HydrophobicContact CZ2-CG2 3.93Å; W279-V423 HydrophobicContact CZ3-CG2 4.4Å; W279-I426 HydrophobicContact CH2-CB 4.39Å; W279-I426 HydrophobicContact CH2-CD1 3.49Å; W279-I426 VanDerWaalsContact CH2-CD1 3.49Å; W279-I426 HydrophobicContact CH2-CG1 4.09Å; W279-I426 HydrophobicContact CZ2-CD1 3.93Å; W279-I426 HydrophobicContact CZ2-CG1 4.48Å; W279-I426 HydrophobicContact CZ3-CD1 4.19Å
280R93.1Very high95.1Very high183 Ų18345.5 Ų45.569%0.69126%0.26SS*.Hα-helixtrans-57.7-43.8177.8-177177.1178.8178.50.8112.8S278 C283 L284S278-R280 VanDerWaalsContact C-N 3.28Å; S278-R280 PolarHBondContact O-N 3.15Å; R280-C283 PolarHBondContact O-N 2.92Å; R280-L284 HydrophobicContact CG-CD1 4.26Å; R280-L284 WeakPolarHBondContact O-CG 3.46Å; R280-L284 PolarHBondContact O-N 2.91Å
281Q95.3Very high95.1Very high54 Ų5447.5 Ų47.525%0.25226%0.264SS..Hα-helixtrans-64-43.8177.4-74.4167.1-56.400111.2L277 S278 W279 C283 L284 I285L277-Q281 HydrophobicContact CD2-CB 4.38Å; S278-Q281 PolarHBondContact O-N 3.43Å; S278-Q281 VanDerWaalsContact O-N 3.16Å; S278-Q281 WeakPolarHBondContact OG-CG 3.47Å; S278-Q281 PolarHBondContact OG-N 2.91Å; S278-Q281 PolarHBondContact OG-OE1 3.33Å; W279-Q281 VanDerWaalsContact C-N 3.34Å; W279-Q281 PolarHBondContact O-N 3.44Å; Q281-C283 VanDerWaalsContact C-N 3.32Å; Q281-C283 PolarHBondContact O-N 3.08Å; Q281-L284 PolarHBondContact O-N 2.96Å; Q281-I285 WeakPolarHBondContact O-CB 3.46Å; Q281-I285 WeakPolarHBondContact O-CD1 3.31Å; Q281-I285 WeakPolarHBondContact O-CG1 3.48Å; Q281-I285 PolarHBondContact O-N 3.13Å
282R96.4Very high95.3Very high1 Ų143.3 Ų43.30%0.00424%0.242CC..Hα-helixtrans-56.2-45.4176.1-76.3176.7-166-131.83.5112L277 S278 W279 I285 A286 I375 D412 M415L277-R282 HydrophobicContact CB-CG 3.92Å; L277-R282 PolarHBondContact O-NE 2.64Å; S278-R282 WeakPolarHBondContact O-CG 3.42Å; S278-R282 PolarHBondContact O-N 3.46Å; W279-R282 HydrophobicContact CE3-CB 4.38Å; W279-R282 WeakPolarHBondContact O-CB 3.42Å; W279-R282 PolarHBondContact O-N 3.02Å; W279-R282 VanDerWaalsContact O-N 3.14Å; R282-I285 PolarHBondContact O-N 3.34Å; R282-A286 WeakPolarHBondContact O-CB 3.42Å; R282-A286 PolarHBondContact O-N 3.42Å; R282-I375 HydrophobicContact CB-CG2 3.63Å; R282-I375 WeakPolarHBondContact CD-O 3.48Å; R282-I375 HydrophobicContact CG-CG2 4.03Å; R282-I375 PolarHBondContact NH1-O 2.68Å; R282-D412 IonicContact CZ-OD2 2.71Å; R282-D412 IonicContact NH1-OD2 2.93Å; R282-D412 PolarHBondContact NH1-OD2 3.29Å; R282-D412 IonicContact NH2-OD2 2.74Å; R282-D412 PolarHBondContact NH2-OD2 3.29Å; R282-M415 WeakPolarHBondContact CD-SD 3.26Å
283C93.7Very high95.7Very high8 Ų836.9 Ų36.95%0.05421%0.207CC..Hα-helixtrans-64.7-44.4177-59.80000112.4W279 R280 Q281 I285 A286 E287 F455W279-C283 VanDerWaalsContact CD2-SG 3.56Å; W279-C283 PolarHBondContact O-N 3.4Å; W279-C283 PolarHBondContact O-SG 3.39Å; R280-C283 PolarHBondContact O-N 2.92Å; Q281-C283 VanDerWaalsContact C-N 3.32Å; Q281-C283 PolarHBondContact O-N 3.08Å; C283-I285 VanDerWaalsContact C-N 3.29Å; C283-I285 PolarHBondContact O-N 2.97Å; C283-A286 PolarHBondContact O-N 3.34Å; C283-E287 WeakPolarHBondContact O-CB 3.46Å; C283-E287 PolarHBondContact O-N 2.96Å; C283-F455 HydrophobicContact CB-CE1 4.03Å; C283-F455 HydrophobicContact CB-CE2 3.77Å; C283-F455 HydrophobicContact CB-CZ 3.39Å; C283-F455 WeakPolarHBondContact SG-CZ 3.33Å
284L94.9Very high95.9Very high88 Ų8835.1 Ų35.146%0.46118%0.179SC..Hα-helixtrans-63.1-35.9176.4-71.3171.1000112.4R280 Q281 G288R280-L284 HydrophobicContact CG-CD1 4.26Å; R280-L284 WeakPolarHBondContact O-CG 3.46Å; R280-L284 PolarHBondContact O-N 2.91Å; Q281-L284 PolarHBondContact O-N 2.96Å; L284-G288 PolarHBondContact O-N 3.46Å
285I97.4Very high95.9Very high1 Ų136.4 Ų36.41%0.00518%0.18CC..Hα-helixtrans-67.8-45.9175.5-71.5163.9000110.7L264 L277 Q281 R282 C283 E287 G288 T289 I311 L313 A319 I375L264-I285 HydrophobicContact CD1-CD1 4.32Å; L264-I285 HydrophobicContact CD1-CG2 3.95Å; L264-I285 HydrophobicContact CD2-CG2 3.84Å; L264-I285 HydrophobicContact CG-CG2 4.44Å; L277-I285 HydrophobicContact CD1-CD1 3.84Å; L277-I285 HydrophobicContact CD2-CD1 4.38Å; Q281-I285 WeakPolarHBondContact O-CB 3.46Å; Q281-I285 WeakPolarHBondContact O-CD1 3.31Å; Q281-I285 WeakPolarHBondContact O-CG1 3.48Å; Q281-I285 PolarHBondContact O-N 3.13Å; R282-I285 PolarHBondContact O-N 3.34Å; C283-I285 VanDerWaalsContact C-N 3.29Å; C283-I285 PolarHBondContact O-N 2.97Å; I285-E287 VanDerWaalsContact C-N 3.35Å; I285-G288 PolarHBondContact O-N 3.27Å; I285-T289 WeakPolarHBondContact O-CB 3.47Å; I285-T289 PolarHBondContact O-N 3.05Å; I285-T289 PolarHBondContact O-OG1 3.38Å; I285-I311 HydrophobicContact CG2-CG2 4.49Å; I285-L313 HydrophobicContact CD1-CD1 3.86Å; I285-L313 HydrophobicContact CD1-CD2 3.79Å; I285-L313 HydrophobicContact CG1-CD2 3.75Å; I285-L313 HydrophobicContact CG2-CD2 4.23Å; I285-A319 HydrophobicContact CB-CB 4.43Å; I285-A319 HydrophobicContact CG2-CB 4.08Å; I285-I375 HydrophobicContact CG2-CD1 4.47Å
286A96.6Very high95.9Very high8 Ų831.6 Ų31.67%0.06615%0.149CC..Hα-helixtrans-58.9-47.1175.400000111R282 C283 T289 A290 F368 L372 I375R282-A286 WeakPolarHBondContact O-CB 3.42Å; R282-A286 PolarHBondContact O-N 3.42Å; C283-A286 PolarHBondContact O-N 3.34Å; A286-T289 PolarHBondContact O-N 3.39Å; A286-A290 PolarHBondContact O-N 2.98Å; A286-F368 WeakPolarHBondContact O-CZ 3.4Å; A286-L372 HydrophobicContact CB-CD2 3.81Å; A286-I375 HydrophobicContact CB-CD1 3.91Å
287E94.9Very high95.7Very high55 Ų5530 Ų3026%0.25714%0.136SC..Hα-helixtrans-62.7-48.4178.2-166-164.8170.400111.7C283 I285 T289 A290 R291C283-E287 WeakPolarHBondContact O-CB 3.46Å; C283-E287 PolarHBondContact O-N 2.96Å; I285-E287 VanDerWaalsContact C-N 3.35Å; E287-T289 VanDerWaalsContact C-N 3.31Å; E287-T289 PolarHBondContact O-N 3.2Å; E287-A290 PolarHBondContact O-N 3.44Å; E287-A290 VanDerWaalsContact O-N 3.16Å; E287-R291 WeakPolarHBondContact O-CG 3.35Å; E287-R291 PolarHBondContact O-N 2.77Å; E287-R291 IonicContact OE1-NH1 2.77Å; E287-R291 PolarHBondContact OE1-NH1 3.36Å; E287-R291 IonicContact OE2-NH1 3.32Å; E287-R291 PolarHBondContact OE2-NH1 3.02Å
288G96.7Very high95.5Very high0 Ų033.5 Ų33.50%016%0.16CC..Hα-helixtrans-59.4-41.617700000112.2N238 L284 I285 R291 G292N238-G288 WeakPolarHBondContact CB-O 3.32Å; N238-G288 WeakPolarHBondContact ND2-CA 3.34Å; N238-G288 PolarHBondContact OD1-O 2.73Å; L284-G288 PolarHBondContact O-N 3.46Å; I285-G288 PolarHBondContact O-N 3.27Å; G288-R291 PolarHBondContact O-N 3.46Å; G288-G292 PolarHBondContact O-N 3.47Å
289T98Very high95.4Very high0 Ų035.1 Ų35.10%017%0.167CC..Hα-helixtrans-62.2-45.1174.8-56.10000111.1I285 A286 E287 R291 G292 L293 I311 I321 F368I285-T289 WeakPolarHBondContact O-CB 3.47Å; I285-T289 PolarHBondContact O-N 3.05Å; I285-T289 PolarHBondContact O-OG1 3.38Å; A286-T289 PolarHBondContact O-N 3.39Å; E287-T289 VanDerWaalsContact C-N 3.31Å; E287-T289 PolarHBondContact O-N 3.2Å; T289-R291 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 2.78Å; T289-G292 PolarHBondContact O-N 3.02Å; T289-L293 HydrophobicContact CG2-CD1 4.34Å; T289-L293 WeakPolarHBondContact O-CG 3.42Å; T289-L293 PolarHBondContact O-N 3.34Å; T289-I311 HydrophobicContact CG2-CD1 3.6Å; T289-I311 HydrophobicContact CG2-CG1 4.07Å; T289-I321 HydrophobicContact CG2-CD1 4.46Å; T289-I321 HydrophobicContact CG2-CG1 4.49Å; T289-F368 HydrophobicContact CG2-CD2 3.7Å; T289-F368 HydrophobicContact CG2-CE2 3.51Å
290A96.6Very high95.2Very high3 Ų338.9 Ų38.93%0.02518%0.184CC..Hα-helixtrans-62.7-35.8176.100000112.5A286 E287 E294 F368 I444 V447 Q448A286-A290 PolarHBondContact O-N 2.98Å; E287-A290 PolarHBondContact O-N 3.44Å; E287-A290 VanDerWaalsContact O-N 3.16Å; A290-E294 WeakPolarHBondContact O-CB 3.32Å; A290-E294 PolarHBondContact O-N 3.23Å; A290-F368 HydrophobicContact CB-CE1 4.23Å; A290-F368 HydrophobicContact CB-CZ 4.05Å; A290-I444 HydrophobicContact CB-CD1 4.33Å; A290-V447 HydrophobicContact CB-CG1 4.39Å; A290-Q448 HydrophobicContact CB-CG 3.97Å; A290-Q448 PolarHBondContact O-NE2 3.32Å; A290-Q448 VanDerWaalsContact O-NE2 3.08Å
291R96.8Very high95.1Very high69 Ų6931.6 Ų31.626%0.2616%0.158SC..Hα-helixtrans-63.4-45.5171.2-71.1-166.5-58.9-107.82.6112.8N238 E287 G288 T289 E294 Y295N238-R291 WeakPolarHBondContact OD1-CB 3.44Å; N238-R291 PolarHBondContact OD1-NE 2.91Å; E287-R291 WeakPolarHBondContact O-CG 3.35Å; E287-R291 PolarHBondContact O-N 2.77Å; E287-R291 IonicContact OE1-NH1 2.77Å; E287-R291 PolarHBondContact OE1-NH1 3.36Å; E287-R291 IonicContact OE2-NH1 3.32Å; E287-R291 PolarHBondContact OE2-NH1 3.02Å; G288-R291 PolarHBondContact O-N 3.46Å; T289-R291 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 2.78Å; R291-E294 PolarHBondContact O-N 3.32Å; R291-Y295 PolarHBondContact O-N 3.38Å
292G97.3Very high95Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-58.9-47.8174.300000112.4G288 T289 Y295 L296G288-G292 PolarHBondContact O-N 3.47Å; T289-G292 PolarHBondContact O-N 3.02Å; G292-Y295 PolarHBondContact O-N 2.81Å; G292-L296 WeakPolarHBondContact O-CG 3.31Å; G292-L296 PolarHBondContact O-N 3.08Å
293L96.8Very high95Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-65.4-41179.3-71.8176.5000112.7T289 Y295 L296 H297 V306 I321 D364 F368 I444T289-L293 HydrophobicContact CG2-CD1 4.34Å; T289-L293 WeakPolarHBondContact O-CG 3.42Å; T289-L293 PolarHBondContact O-N 3.34Å; L293-Y295 VanDerWaalsContact C-N 3.34Å; L293-Y295 PolarHBondContact O-N 3.03Å; L293-L296 HydrophobicContact CD2-CD1 4.41Å; L293-L296 PolarHBondContact O-N 3.06Å; L293-H297 WeakPolarHBondContact O-CB 3.32Å; L293-H297 PolarHBondContact O-CD2 3.39Å; L293-H297 VanDerWaalsContact O-CG 3.27Å; L293-H297 PolarHBondContact O-N 3.31Å; L293-V306 HydrophobicContact CD1-CG1 4.35Å; L293-V306 HydrophobicContact CD2-CG2 3.69Å; L293-I321 HydrophobicContact CD2-CD1 3.81Å; L293-I321 HydrophobicContact CG-CD1 3.74Å; L293-D364 HydrophobicContact CD2-CB 4.49Å; L293-F368 HydrophobicContact CD1-CB 3.83Å; L293-F368 HydrophobicContact CD1-CD2 3.95Å; L293-F368 HydrophobicContact CD1-CG 3.9Å; L293-I444 HydrophobicContact CB-CD1 4.07Å; L293-I444 HydrophobicContact CB-CG1 3.77Å; L293-I444 HydrophobicContact CD1-CD1 4.02Å
294E95.6Very high94.9Very high41 Ų4130.2 Ų30.219%0.19215%0.149CC..Hα-helixtrans-61.7-43174.9-170.8-159.1-158.400111.9A290 R291 L296 H297 S298 I444 K445 Q448A290-E294 WeakPolarHBondContact O-CB 3.32Å; A290-E294 PolarHBondContact O-N 3.23Å; R291-E294 PolarHBondContact O-N 3.32Å; E294-L296 VanDerWaalsContact C-N 3.33Å; E294-L296 PolarHBondContact O-N 2.87Å; E294-H297 PolarHBondContact O-N 2.97Å; E294-S298 VanDerWaalsContact O-CB 3.23Å; E294-S298 WeakPolarHBondContact O-CB 3.47Å; E294-S298 PolarHBondContact O-N 3.4Å; E294-S298 PolarHBondContact O-OG 3.47Å; E294-I444 VanDerWaalsContact CA-CG2 3.44Å; E294-I444 HydrophobicContact CB-CG2 3.77Å; E294-I444 HydrophobicContact CG-CG2 4.08Å; E294-K445 HydrophobicContact CG-CB 4.27Å; E294-K445 WeakPolarHBondContact OE1-CB 3.43Å; E294-K445 WeakPolarHBondContact OE1-CD 3.3Å; E294-K445 VanDerWaalsContact OE1-CG 3.24Å; E294-K445 WeakPolarHBondContact OE1-CG 3.42Å; E294-Q448 VanDerWaalsContact CD-NE2 3.34Å; E294-Q448 VanDerWaalsContact OE2-CD 3.24Å; E294-Q448 PolarHBondContact OE2-NE2 3.4Å; E294-Q448 PolarHBondContact OE2-OE1 3.35Å
295Y95.8Very high94.8Very high53 Ų5326.2 Ų26.221%0.20813%0.128CC..Hα-helixtrans-59.2-45.5175.3176.1-90.5000111.1L234 K235 H236 L239 R291 G292 L293 S298 N299L234-Y295 HydrophobicContact CB-CE1 3.99Å; L234-Y295 HydrophobicContact CD2-CE1 4.02Å; K235-Y295 PolarHBondContact N-OH 3.13Å; K235-Y295 VanDerWaalsContact N-OH 3.09Å; K235-Y295 PolarHBondContact O-OH 3.49Å; K235-Y295 VanDerWaalsContact O-OH 3.09Å; H236-Y295 HydrophobicContact CB-CD1 3.65Å; H236-Y295 HydrophobicContact CB-CD2 3.95Å; H236-Y295 HydrophobicContact CB-CE1 3.82Å; H236-Y295 HydrophobicContact CB-CE2 4.11Å; H236-Y295 HydrophobicContact CB-CG 3.71Å; H236-Y295 AromaticContact CD2-CD2 3.54Å; H236-Y295 AromaticContact CD2-CG 3.67Å; H236-Y295 AromaticContact CG-CD2 3.94Å; H236-Y295 AromaticContact CG-CG 3.69Å; L239-Y295 HydrophobicContact CD1-CD1 3.7Å; L239-Y295 HydrophobicContact CD1-CE1 3.81Å; R291-Y295 PolarHBondContact O-N 3.38Å; G292-Y295 PolarHBondContact O-N 2.81Å; L293-Y295 VanDerWaalsContact C-N 3.34Å; L293-Y295 PolarHBondContact O-N 3.03Å; Y295-S298 PolarHBondContact O-N 2.93Å; Y295-N299 WeakPolarHBondContact CE2-ND2 3.09Å; Y295-N299 WeakPolarHBondContact O-CB 3.46Å; Y295-N299 PolarHBondContact O-N 2.9Å; Y295-N299 PolarHBondContact O-ND2 3.42Å
296L94.7Very high94.9Very high0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-59.3-50.2176-67.6177.6000111.7L234 L239 G292 L293 E294 S298 N299 H300 H301 H303 F324L234-L296 HydrophobicContact CD1-CD2 3.48Å; L234-L296 VanDerWaalsContact CD1-CD2 3.48Å; L239-L296 HydrophobicContact CD1-CD2 3.81Å; L239-L296 HydrophobicContact CD1-CG 4.47Å; L239-L296 HydrophobicContact CD2-CD1 4.15Å; L239-L296 HydrophobicContact CD2-CD2 4.09Å; L239-L296 HydrophobicContact CD2-CG 4.01Å; G292-L296 WeakPolarHBondContact O-CG 3.31Å; G292-L296 PolarHBondContact O-N 3.08Å; L293-L296 HydrophobicContact CD2-CD1 4.41Å; L293-L296 PolarHBondContact O-N 3.06Å; E294-L296 VanDerWaalsContact C-N 3.33Å; E294-L296 PolarHBondContact O-N 2.87Å; L296-S298 VanDerWaalsContact C-N 3.35Å; L296-S298 PolarHBondContact O-N 3.06Å; L296-N299 CarbonylContact O-C 3.58Å; L296-N299 PolarHBondContact O-N 2.86Å; L296-N299 VanDerWaalsContact O-N 3.16Å; L296-H300 PolarHBondContact O-N 2.94Å; L296-H301 CarbonylContact C-O 3.53Å; L296-H301 HydrophobicContact CB-CB 4.44Å; L296-H301 PolarHBondContact O-N 2.77Å; L296-H303 HydrophobicContact CD1-CB 4.24Å; L296-F324 HydrophobicContact CD1-CE1 3.96Å; L296-F324 HydrophobicContact CD2-CE1 3.88Å
297H93.4Very high94.9Very high28 Ų2827.4 Ų27.413%0.1313%0.132CC..Hα-helixtrans-65.7-38.3-176.5-68.6-175000111.9L293 E294 N299 H300 H301 P361 D364 I444L293-H297 WeakPolarHBondContact O-CB 3.32Å; L293-H297 PolarHBondContact O-CD2 3.39Å; L293-H297 VanDerWaalsContact O-CG 3.27Å; L293-H297 PolarHBondContact O-N 3.31Å; E294-H297 PolarHBondContact O-N 2.97Å; H297-N299 VanDerWaalsContact C-N 3.29Å; H297-N299 PolarHBondContact O-N 2.84Å; H297-H300 PolarHBondContact O-N 3.29Å; H297-H301 PolarHBondContact CD2-O 2.79Å; H297-P361 PolarHBondContact CE1-O 3.44Å; H297-P361 VanDerWaalsContact CE1-O 3.26Å; H297-D364 IonicContact CD2-OD2 3.69Å; H297-D364 IonicContact CE1-OD2 2.78Å; H297-D364 IonicContact NE2-OD2 2.65Å; H297-D364 PolarHBondContact NE2-OD2 3.05Å; H297-I444 HydrophobicContact CB-CG2 4.33Å
298S92.6Very high95Very high75 Ų7524.8 Ų24.852%0.52412%0.12SC..Hα-helixtrans-66.5-31.8175.5-60.70000112.2E294 Y295 L296 H300E294-S298 VanDerWaalsContact O-CB 3.23Å; E294-S298 WeakPolarHBondContact O-CB 3.47Å; E294-S298 PolarHBondContact O-N 3.4Å; E294-S298 PolarHBondContact O-OG 3.47Å; Y295-S298 PolarHBondContact O-N 2.93Å; L296-S298 VanDerWaalsContact C-N 3.35Å; L296-S298 PolarHBondContact O-N 3.06Å; S298-H300 PolarHBondContact O-N 2.84Å
299N92.1Very high95Very high66 Ų6626.4 Ų26.435%0.35313%0.134SC..THydrogen-bonded Turntrans-87.715.8171.7-72.1-80000112.8L234 Y295 L296 H297 H301L234-N299 HydrophobicContact CD2-CB 3.76Å; Y295-N299 WeakPolarHBondContact CE2-ND2 3.09Å; Y295-N299 WeakPolarHBondContact O-CB 3.46Å; Y295-N299 PolarHBondContact O-N 2.9Å; Y295-N299 PolarHBondContact O-ND2 3.42Å; L296-N299 CarbonylContact O-C 3.58Å; L296-N299 PolarHBondContact O-N 2.86Å; L296-N299 VanDerWaalsContact O-N 3.16Å; H297-N299 VanDerWaalsContact C-N 3.29Å; H297-N299 PolarHBondContact O-N 2.84Å; N299-H301 PolarHBondContact O-CE1 3.33Å; N299-H301 PolarHBondContact O-N 2.8Å; N299-H301 PolarHBondContact O-ND1 3.35Å
300H90.6Very high94.9Very high83 Ų8327 Ų2738%0.38414%0.137SC..THydrogen-bonded Turntrans5940.8177.7-49.4-51.6000114.3L296 H297 S298 A329 S330L296-H300 PolarHBondContact O-N 2.94Å; H297-H300 PolarHBondContact O-N 3.29Å; S298-H300 PolarHBondContact O-N 2.84Å; H300-A329 CarbonylContact O-C 3.49Å; H300-A329 WeakPolarHBondContact O-CA 3.46Å; H300-S330 PolarHBondContact O-N 3.45Å
301H92.1Very high95Very high31 Ų3127 Ų2714%0.14414%0.136CC..EExtended strand (participates in β ladder)trans-117.4139.3172.3-69.374.8000110.4L234 L296 H297 N299 T327 R328L234-H301 HydrophobicContact CD1-CB 4.2Å; L296-H301 CarbonylContact C-O 3.53Å; L296-H301 HydrophobicContact CB-CB 4.44Å; L296-H301 PolarHBondContact O-N 2.77Å; H297-H301 PolarHBondContact CD2-O 2.79Å; N299-H301 PolarHBondContact O-CE1 3.33Å; N299-H301 PolarHBondContact O-N 2.8Å; N299-H301 PolarHBondContact O-ND1 3.35Å; H301-T327 HydrophobicContact CB-CG2 3.99Å; H301-R328 WeakPolarHBondContact CA-O 3.35Å
302V93.3Very high95.1Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-111.1125.4171.3-174.80000107.6R304 T327 R328 I359 T360 P361 D364V302-R304 HydrophobicContact CB-CG 4.27Å; V302-R304 HydrophobicContact CG1-CG 3.74Å; V302-T327 WeakPolarHBondContact O-CA 3.47Å; V302-R328 PolarHBondContact N-O 3.38Å; V302-R328 PolarHBondContact O-N 3.19Å; V302-I359 HydrophobicContact CB-CG2 4.09Å; V302-I359 HydrophobicContact CG1-CG2 4.2Å; V302-I359 HydrophobicContact CG2-CG2 4.2Å; V302-T360 WeakPolarHBondContact CG1-O 2.99Å; V302-P361 HydrophobicContact CG2-CG 3.89Å; V302-D364 WeakPolarHBondContact CA-OD2 3.39Å; V302-D364 WeakPolarHBondContact CG1-OD2 3.22Å
303H95.1Very high95.2Very high0 Ų025.6 Ų25.60%013%0.134CC..  trans-71-45.7-173.7-171.1-88.9000112.1L296 D305 V306 S322 D323 F324 D364L296-H303 HydrophobicContact CD1-CB 4.24Å; H303-D305 PolarHBondContact CE1-O 2.94Å; H303-D305 PolarHBondContact ND1-N 2.96Å; H303-D305 PolarHBondContact ND1-O 3.26Å; H303-D305 PolarHBondContact O-N 3.17Å; H303-V306 HydrophobicContact CB-CG2 3.77Å; H303-V306 PolarHBondContact ND1-N 3.33Å; H303-S322 PolarHBondContact CE1-O 3.21Å; H303-S322 PolarHBondContact NE2-O 2.77Å; H303-D323 PolarHBondContact NE2-O 3.37Å; H303-F324 AromaticContact CD2-CD1 3.91Å; H303-F324 AromaticContact CD2-CE1 3.81Å; H303-D364 PolarHBondContact N-OD1 3.24Å; H303-D364 PolarHBondContact N-OD2 3.13Å
304R92.8Very high95.2Very high33 Ų3326.2 Ų26.213%0.12514%0.137CC..SBendtrans71.5-8.1177-54.3177.861.6-156.64.7117.2V302 L326 I359 D364V302-R304 HydrophobicContact CB-CG 4.27Å; V302-R304 HydrophobicContact CG1-CG 3.74Å; R304-L326 HydrophobicContact CB-CB 4.47Å; R304-L326 WeakPolarHBondContact CD-O 3.36Å; R304-I359 HydrophobicContact CG-CG2 4.44Å; R304-D364 PolarHBondContact N-OD1 2.87Å
305D93.1Very high95.2Very high4 Ų430.2 Ų30.22%0.02116%0.156CC..  trans-140.149.8173-160.738.6000111.9H303 K307 N310 L326 T346H303-D305 PolarHBondContact CE1-O 2.94Å; H303-D305 PolarHBondContact ND1-N 2.96Å; H303-D305 PolarHBondContact ND1-O 3.26Å; H303-D305 PolarHBondContact O-N 3.17Å; D305-K307 PolarHBondContact O-N 3.29Å; D305-K307 IonicContact OD1-NZ 3.2Å; D305-K307 IonicContact OD2-NZ 2.83Å; D305-K307 PolarHBondContact OD2-NZ 3.16Å; D305-N310 PolarHBondContact O-ND2 2.66Å; D305-N310 PolarHBondContact OD2-ND2 3.22Å; D305-L326 HydrophobicContact CB-CD1 4.04Å; D305-T346 PolarHBondContact OD1-N 3Å; D305-T346 PolarHBondContact OD1-OG1 2.92Å
306V97.6Very high95.3Very high4 Ų433.2 Ų33.22%0.02418%0.176CC..  trans-70.4122.3173.5-179.70000108.4L293 H303 D364 S367L293-V306 HydrophobicContact CD1-CG1 4.35Å; L293-V306 HydrophobicContact CD2-CG2 3.69Å; H303-V306 HydrophobicContact CB-CG2 3.77Å; H303-V306 PolarHBondContact ND1-N 3.33Å; V306-D364 HydrophobicContact CG2-CB 4Å; V306-S367 WeakPolarHBondContact O-CB 3.22Å
307K96.7Very high95.4Very high30 Ų3035.8 Ų35.813%0.1319%0.187CC..  trans-161.9159.7178.662.5-165.3-169.7-153.10110.1D305 A309 N310 I311 T346 Y349D305-K307 PolarHBondContact O-N 3.29Å; D305-K307 IonicContact OD1-NZ 3.2Å; D305-K307 IonicContact OD2-NZ 2.83Å; D305-K307 PolarHBondContact OD2-NZ 3.16Å; K307-A309 HydrophobicContact CD-CB 4.44Å; K307-A309 HydrophobicContact CG-CB 4.17Å; K307-A309 PolarHBondContact O-N 2.88Å; K307-N310 WeakPolarHBondContact CE-ND2 3.14Å; K307-N310 WeakPolarHBondContact CE-OD1 3.44Å; K307-N310 HydrophobicContact CG-CB 3.93Å; K307-N310 PolarHBondContact O-N 2.93Å; K307-I311 PolarHBondContact O-N 3.27Å; K307-T346 HydrophobicContact CD-CG2 4.33Å; K307-T346 VanDerWaalsContact CD-OG1 3.22Å; K307-T346 WeakPolarHBondContact CD-OG1 3.21Å; K307-T346 PolarHBondContact NZ-OG1 3.26Å; K307-Y349 HydrophobicContact CB-CD1 3.9Å; K307-Y349 HydrophobicContact CB-CD2 3.81Å; K307-Y349 HydrophobicContact CB-CE1 3.72Å; K307-Y349 HydrophobicContact CB-CE2 3.59Å; K307-Y349 HydrophobicContact CB-CG 3.95Å
308S97.9Very high95.7Very high0 Ų036.2 Ų36.20%019%0.191CC..G310 helixtrans-58.2-31.4179.756.10000113.1L264 L265 N310 I311 Y349 E374L264-S308 WeakPolarHBondContact CB-O 3.48Å; L264-S308 PolarHBondContact N-O 2.84Å; L265-S308 WeakPolarHBondContact CB-OG 3.44Å; L265-S308 WeakPolarHBondContact CD1-OG 3.09Å; L265-S308 PolarHBondContact N-O 3.44Å; S308-N310 VanDerWaalsContact C-N 3.29Å; S308-N310 PolarHBondContact O-N 2.78Å; S308-I311 PolarHBondContact O-N 3.02Å; S308-Y349 PolarHBondContact OG-OH 3.34Å; S308-E374 WeakPolarHBondContact CB-OE1 3.1Å; S308-E374 WeakPolarHBondContact CB-OE2 3.28Å; S308-E374 VanDerWaalsContact OG-CD 3.3Å; S308-E374 PolarHBondContact OG-OE1 2.83Å; S308-E374 PolarHBondContact OG-OE2 3.06Å
309A95.8Very high95.9Very high35 Ų3532.7 Ų32.729%0.28917%0.167SC..G310 helixtrans-66.6-26.3174.100000114L265 K307L265-A309 HydrophobicContact CB-CB 4.34Å; L265-A309 HydrophobicContact CD2-CB 3.96Å; K307-A309 HydrophobicContact CD-CB 4.44Å; K307-A309 HydrophobicContact CG-CB 4.17Å; K307-A309 PolarHBondContact O-N 2.88Å
310N97.3Very high96.3Very high13 Ų1330.4 Ų30.47%0.0715%0.153CC..G310 helixtrans-97.21.7-179.6-72.7-3.6000112.7D305 K307 S308 S322 D323D305-N310 PolarHBondContact O-ND2 2.66Å; D305-N310 PolarHBondContact OD2-ND2 3.22Å; K307-N310 WeakPolarHBondContact CE-ND2 3.14Å; K307-N310 WeakPolarHBondContact CE-OD1 3.44Å; K307-N310 HydrophobicContact CG-CB 3.93Å; K307-N310 PolarHBondContact O-N 2.93Å; S308-N310 VanDerWaalsContact C-N 3.29Å; S308-N310 PolarHBondContact O-N 2.78Å; N310-S322 PolarHBondContact O-N 3.11Å; N310-S322 PolarHBondContact O-OG 3.21Å; N310-D323 HydrophobicContact CB-CB 4.41Å; N310-D323 PolarHBondContact ND2-OD2 3.44Å
311I98.5Very high96.6Very high2 Ų226.6 Ų26.61%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-102.5105.3172.3-62.7161.7000107S263 L264 I285 T289 K307 S308 A319 V371S263-I311 CarbonylContact C-O 3.35Å; L264-I311 HydrophobicContact CB-CB 4.13Å; L264-I311 HydrophobicContact CB-CG2 4.18Å; L264-I311 WeakPolarHBondContact CB-O 3.27Å; L264-I311 HydrophobicContact CD2-CB 4.42Å; L264-I311 HydrophobicContact CD2-CD1 4.25Å; L264-I311 HydrophobicContact CD2-CG2 4.24Å; L264-I311 PolarHBondContact N-O 3.07Å; I285-I311 HydrophobicContact CG2-CG2 4.49Å; T289-I311 HydrophobicContact CG2-CD1 3.6Å; T289-I311 HydrophobicContact CG2-CG1 4.07Å; K307-I311 PolarHBondContact O-N 3.27Å; S308-I311 PolarHBondContact O-N 3.02Å; I311-A319 HydrophobicContact CG2-CB 4.01Å; I311-V371 HydrophobicContact CD1-CB 4.47Å; I311-V371 HydrophobicContact CD1-CG1 3.67Å; I311-V371 HydrophobicContact CD1-CG2 4.08Å
312L98.3Very high96.8Very high39 Ų3925.7 Ų25.720%0.20413%0.133CC..EExtended strand (participates in β ladder)trans-96.5157-177.7-53.7-179000111.1M259 G262 A319 K320M259-L312 HydrophobicContact CB-CB 3.87Å; M259-L312 HydrophobicContact CB-CD1 4.32Å; M259-L312 HydrophobicContact CG-CB 3.59Å; M259-L312 HydrophobicContact CG-CD1 3.76Å; M259-L312 HydrophobicContact CG-CG 4.32Å; M259-L312 HydrophobicContact SD-CB 4.38Å; G262-L312 CarbonylContact O-C 3.58Å; G262-L312 WeakPolarHBondContact O-CA 3.39Å; L312-A319 CarbonylContact O-C 3.36Å; L312-A319 WeakPolarHBondContact O-CA 3.22Å; L312-K320 PolarHBondContact N-O 3.39Å; L312-K320 PolarHBondContact O-N 3.11Å
313L98.6Very high96.6Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-119.5122.5-177.5-57.1-176.9000110.2M259 A260 N261 G262 R267 I285 F317 A319M259-L313 CarbonylContact C-O 3.51Å; M259-L313 WeakPolarHBondContact CB-O 3.42Å; A260-L313 PolarHBondContact N-O 3.2Å; N261-L313 HydrophobicContact CB-CB 3.63Å; N261-L313 PolarHBondContact N-O 2.71Å; G262-L313 PolarHBondContact O-N 2.73Å; R267-L313 HydrophobicContact CB-CD1 4.1Å; R267-L313 HydrophobicContact CG-CD1 3.8Å; I285-L313 HydrophobicContact CD1-CD1 3.86Å; I285-L313 HydrophobicContact CD1-CD2 3.79Å; I285-L313 HydrophobicContact CG1-CD2 3.75Å; I285-L313 HydrophobicContact CG2-CD2 4.23Å; L313-F317 HydrophobicContact CD1-CD1 3.99Å; L313-A319 HydrophobicContact CD2-CB 4.33Å
314D97.5Very high96.4Very high14 Ų1426.4 Ų26.48%0.07514%0.137CC..  trans-74-177.2173.276.28.5000112M259 N261 N316 F317 V318M259-D314 HydrophobicContact SD-CB 4Å; N261-D314 PolarHBondContact ND2-O 2.93Å; D314-N316 PolarHBondContact O-N 2.89Å; D314-N316 VanDerWaalsContact O-N 3.07Å; D314-N316 WeakPolarHBondContact OD1-CA 3.45Å; D314-N316 PolarHBondContact OD1-N 2.99Å; D314-F317 PolarHBondContact O-N 3.09Å; D314-F317 PolarHBondContact OD1-N 3.45Å; D314-V318 PolarHBondContact N-O 2.74Å; D314-V318 WeakPolarHBondContact OD1-CB 3.28Å; D314-V318 PolarHBondContact OD1-N 2.93Å; D314-V318 WeakPolarHBondContact OD2-CB 3.38Å
315E96.9Very high95.9Very high124 Ų12425 Ų2558%0.57913%0.132SC*.THydrogen-bonded Turntrans-55.6-23.8-179.660.7-92.3-150.100114.7A260A260-E315 HydrophobicContact CB-CB 4.2Å
316N97.4Very high95.3Very high117 Ų11725.1 Ų25.163%0.62613%0.133SC*.THydrogen-bonded Turntrans-103.412.1-178.8-61.3-51.2000112.6D314 V318D314-N316 PolarHBondContact O-N 2.89Å; D314-N316 VanDerWaalsContact O-N 3.07Å; D314-N316 WeakPolarHBondContact OD1-CA 3.45Å; D314-N316 PolarHBondContact OD1-N 2.99Å; N316-V318 HydrophobicContact CB-CG2 4.17Å; N316-V318 PolarHBondContact O-N 3.07Å
317F97.2Very high94.6Very high54 Ų5424.9 Ų24.924%0.23713%0.132CC..  trans61.324.1-173.3-62.5-95.9000113.6N261 L277 L313 D314 A319N261-F317 HydrophobicContact CB-CD1 4.34Å; N261-F317 HydrophobicContact CB-CE1 4.14Å; N261-F317 WeakPolarHBondContact OD1-CZ 3.17Å; L277-F317 HydrophobicContact CD2-CD1 3.66Å; L277-F317 HydrophobicContact CD2-CE1 3.64Å; L313-F317 HydrophobicContact CD1-CD1 3.99Å; D314-F317 PolarHBondContact O-N 3.09Å; D314-F317 PolarHBondContact OD1-N 3.45Å; F317-A319 PolarHBondContact O-N 2.91Å
318V98.1Very high94.1Very high36 Ų3627 Ų2722%0.21814%0.139CC..  trans-74.7126.4171.7-178.10000108.6E237 D314 N316E237-V318 HydrophobicContact CG-CG1 4.44Å; D314-V318 PolarHBondContact N-O 2.74Å; D314-V318 WeakPolarHBondContact OD1-CB 3.28Å; D314-V318 PolarHBondContact OD1-N 2.93Å; D314-V318 WeakPolarHBondContact OD2-CB 3.38Å; N316-V318 HydrophobicContact CB-CG2 4.17Å; N316-V318 PolarHBondContact O-N 3.07Å
319A98.4Very high93.1Very high1 Ų129.8 Ų29.81%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-69.8131.3179.100000111.7N238 I285 I311 L312 L313 F317N238-A319 VanDerWaalsContact CA-O 3.25Å; N238-A319 WeakPolarHBondContact CA-O 3.36Å; N238-A319 WeakPolarHBondContact CB-O 3.31Å; N238-A319 PolarHBondContact ND2-O 3.13Å; I285-A319 HydrophobicContact CB-CB 4.43Å; I285-A319 HydrophobicContact CG2-CB 4.08Å; I311-A319 HydrophobicContact CG2-CB 4.01Å; L312-A319 CarbonylContact O-C 3.36Å; L312-A319 WeakPolarHBondContact O-CA 3.22Å; L313-A319 HydrophobicContact CD2-CB 4.33Å; F317-A319 PolarHBondContact O-N 2.91Å
320K98.5Very high91.8Very high18 Ų1828.9 Ų28.98%0.07815%0.154CC..EExtended strand (participates in β ladder)trans-130.4117.8175.7-63-166.6-169.6-83.90110.7E237 N238 M259 L312E237-K320 PolarHBondContact O-NZ 3.16Å; N238-K320 WeakPolarHBondContact O-CA 3.46Å; M259-K320 HydrophobicContact CE-CD 3.85Å; M259-K320 HydrophobicContact SD-CB 4.33Å; M259-K320 HydrophobicContact SD-CD 3.67Å; M259-K320 HydrophobicContact SD-CG 4.3Å; L312-K320 PolarHBondContact N-O 3.39Å; L312-K320 PolarHBondContact O-N 3.11Å
321I98.4Very high89.9Confident3 Ų329.8 Ų29.82%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-70.7136.5175.5-55.5172.5000109.1N238 L239 V240 T289 L293 F324N238-I321 PolarHBondContact O-N 3.14Å; L239-I321 HydrophobicContact CD2-CB 3.91Å; L239-I321 HydrophobicContact CD2-CD1 4.15Å; L239-I321 HydrophobicContact CD2-CG1 4.4Å; V240-I321 PolarHBondContact N-O 3.43Å; T289-I321 HydrophobicContact CG2-CD1 4.46Å; T289-I321 HydrophobicContact CG2-CG1 4.49Å; L293-I321 HydrophobicContact CD2-CD1 3.81Å; L293-I321 HydrophobicContact CG-CD1 3.74Å; I321-F324 HydrophobicContact CB-CZ 4.36Å; I321-F324 HydrophobicContact CG2-CE1 4.48Å; I321-F324 HydrophobicContact CG2-CZ 4.09Å; I321-F324 WeakPolarHBondContact O-CE2 3.34Å; I321-F324 WeakPolarHBondContact O-CZ 3.35Å
322S95.2Very high87.5Confident13 Ų1337.7 Ų37.79%0.09120%0.197CC..  trans-132.6175.2-176.768.70000111.4H303 N310H303-S322 PolarHBondContact CE1-O 3.21Å; H303-S322 PolarHBondContact NE2-O 2.77Å; N310-S322 PolarHBondContact O-N 3.11Å; N310-S322 PolarHBondContact O-OG 3.21Å
323D90.1Very high84.7Confident15 Ų1543.5 Ų43.58%0.0822%0.223CC..  trans68.465.2175.1-157.218.9000114.9F191 K207 E227 H303 N310 G325F191-D323 WeakPolarHBondContact CD2-OD2 3.23Å; F191-D323 VanDerWaalsContact CE2-OD2 3.27Å; F191-D323 WeakPolarHBondContact CE2-OD2 3.48Å; K207-D323 IonicContact NZ-OD1 2.75Å; K207-D323 PolarHBondContact NZ-OD1 2.98Å; E227-D323 WeakPolarHBondContact OE1-CA 3.29Å; H303-D323 PolarHBondContact NE2-O 3.37Å; N310-D323 HydrophobicContact CB-CB 4.41Å; N310-D323 PolarHBondContact ND2-OD2 3.44Å; D323-G325 VanDerWaalsContact C-N 3.27Å; D323-G325 PolarHBondContact O-N 3.12Å
324F90.1Very high81.9Confident0 Ų047.2 Ų47.20%025%0.245CC..G310 helixtrans-86.47.2-175.7-62.4-93.1000113.5E227 T230 L231 L239 V240 L296 H303 I321 L326 T327E227-F324 HydrophobicContact CG-CB 4.19Å; E227-F324 PolarHBondContact OE1-N 3.29Å; T230-F324 HydrophobicContact CG2-CB 4.06Å; T230-F324 HydrophobicContact CG2-CD1 3.8Å; T230-F324 HydrophobicContact CG2-CG 4.13Å; L231-F324 HydrophobicContact CD1-CD2 3.87Å; L231-F324 HydrophobicContact CD1-CE2 4.43Å; L231-F324 HydrophobicContact CD2-CD2 3.63Å; L231-F324 HydrophobicContact CD2-CE2 3.59Å; L231-F324 HydrophobicContact CD2-CG 4.27Å; L231-F324 HydrophobicContact CD2-CZ 4.2Å; L231-F324 HydrophobicContact CG-CD2 3.83Å; L231-F324 HydrophobicContact CG-CE2 4.3Å; L231-F324 HydrophobicContact CG-CG 4.29Å; L239-F324 HydrophobicContact CB-CZ 4.28Å; L239-F324 HydrophobicContact CD2-CE1 4.32Å; L239-F324 HydrophobicContact CD2-CZ 3.93Å; L239-F324 HydrophobicContact CG-CZ 4.45Å; V240-F324 HydrophobicContact CG1-CE2 4.09Å; L296-F324 HydrophobicContact CD1-CE1 3.96Å; L296-F324 HydrophobicContact CD2-CE1 3.88Å; H303-F324 AromaticContact CD2-CD1 3.91Å; H303-F324 AromaticContact CD2-CE1 3.81Å; I321-F324 HydrophobicContact CB-CZ 4.36Å; I321-F324 HydrophobicContact CG2-CE1 4.48Å; I321-F324 HydrophobicContact CG2-CZ 4.09Å; I321-F324 WeakPolarHBondContact O-CE2 3.34Å; I321-F324 WeakPolarHBondContact O-CZ 3.35Å; F324-L326 PolarHBondContact O-N 3.05Å; F324-L326 VanDerWaalsContact O-N 3.13Å; F324-T327 WeakPolarHBondContact CA-OG1 3.46Å; F324-T327 WeakPolarHBondContact CD1-OG1 3.26Å; F324-T327 VanDerWaalsContact O-CB 3.24Å; F324-T327 WeakPolarHBondContact O-CB 3.22Å; F324-T327 PolarHBondContact O-N 3.46Å; F324-T327 PolarHBondContact O-OG1 2.92Å
325G81.7Confident79.6Confident2 Ų251.8 Ų51.82%0.02128%0.279CS..G310 helixtrans-59.8-25.9-177.300000114D323D323-G325 VanDerWaalsContact C-N 3.27Å; D323-G325 PolarHBondContact O-N 3.12Å
326L80.9Confident77.4Confident7 Ų749.4 Ų49.44%0.03727%0.273CS..G310 helixtrans-96.4-6.2175.9-62.8-171.5000114.4F191 Q223 R304 D305 F324 V344F191-L326 HydrophobicContact CE1-CD1 4.13Å; F191-L326 HydrophobicContact CE1-CD2 3.89Å; F191-L326 HydrophobicContact CE1-CG 3.81Å; F191-L326 HydrophobicContact CZ-CD1 3.6Å; F191-L326 HydrophobicContact CZ-CD2 4.23Å; F191-L326 HydrophobicContact CZ-CG 3.74Å; Q223-L326 HydrophobicContact CG-CD2 4.49Å; R304-L326 HydrophobicContact CB-CB 4.47Å; R304-L326 WeakPolarHBondContact CD-O 3.36Å; D305-L326 HydrophobicContact CB-CD1 4.04Å; F324-L326 PolarHBondContact O-N 3.05Å; F324-L326 VanDerWaalsContact O-N 3.13Å; L326-V344 HydrophobicContact CD1-CB 3.81Å; L326-V344 HydrophobicContact CD1-CG2 3.94Å; L326-V344 HydrophobicContact CD2-CB 4.13Å; L326-V344 HydrophobicContact CD2-CG1 4.38Å; L326-V344 HydrophobicContact CD2-CG2 4Å; L326-V344 HydrophobicContact CG-CG2 4.43Å
327T83.9Confident75.6Confident0 Ų045.9 Ų45.90%026%0.256CS..  trans-58.7143.9-175.6-67.10000110.9Q226 T230 H301 V302 F324Q226-T327 VanDerWaalsContact CG-O 3.23Å; Q226-T327 WeakPolarHBondContact CG-O 3.32Å; T230-T327 HydrophobicContact CG2-CG2 3.95Å; H301-T327 HydrophobicContact CB-CG2 3.99Å; V302-T327 WeakPolarHBondContact O-CA 3.47Å; F324-T327 WeakPolarHBondContact CA-OG1 3.46Å; F324-T327 WeakPolarHBondContact CD1-OG1 3.26Å; F324-T327 VanDerWaalsContact O-CB 3.24Å; F324-T327 WeakPolarHBondContact O-CB 3.22Å; F324-T327 PolarHBondContact O-N 3.46Å; F324-T327 PolarHBondContact O-OG1 2.92Å
328R84.9Confident74.2Confident75 Ų7546.6 Ų46.628%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-132.2138177.1-70.4-68.5-175.4-104.810.1110.8H301 V302 S330 I359H301-R328 WeakPolarHBondContact CA-O 3.35Å; V302-R328 PolarHBondContact N-O 3.38Å; V302-R328 PolarHBondContact O-N 3.19Å; R328-S330 PolarHBondContact O-N 3.04Å; R328-I359 HydrophobicContact CB-CG2 4.4Å; R328-I359 HydrophobicContact CG-CD1 4.21Å
329A77.8Confident72.8Confident58 Ų5854.3 Ų54.348%0.47929%0.285SS..EExtended strand (participates in β ladder)trans-64.4125.216600000108.9H300H300-A329 CarbonylContact O-C 3.49Å; H300-A329 WeakPolarHBondContact O-CA 3.46Å
330S68.1Low71.1Confident16 Ų1656 Ų5611%0.11230%0.296CS..PPolyproline II helixtrans-73.5151.1168.2-171.40000109.5H300 R328 K332H300-S330 PolarHBondContact O-N 3.45Å; R328-S330 PolarHBondContact O-N 3.04Å; S330-K332 PolarHBondContact O-N 2.94Å
331A58.3Low69.1Low32 Ų3263.5 Ų63.526%0.26434%0.337SS..PPolyproline II helixtrans-59.8126.2-179.300000109.4H333 M338A331-H333 PolarHBondContact O-N 3.2Å; A331-H333 VanDerWaalsContact O-N 3.13Å; A331-M338 HydrophobicContact CB-CE 3.52Å
332K47.1Very low67.5Low167 Ų16767.2 Ų67.273%0.72635%0.351SS*.THydrogen-bonded Turntrans-55.1122.2172.9-72-176.5177-179.40108.3S330S330-K332 PolarHBondContact O-N 2.94Å
333H38.8Very low66.3Low161 Ų16171 Ų7175%0.74537%0.369SS*.THydrogen-bonded Turntrans85.89.1168.9-50-61.4000120A331A331-H333 PolarHBondContact O-N 3.2Å; A331-H333 VanDerWaalsContact O-N 3.13Å
334T40.6Very low65.3Low78 Ų7871.7 Ų71.748%0.47937%0.373SS..  trans-145.3143.1166.350.10000110.7T336T334-T336 WeakPolarHBondContact CB-OG1 3.33Å; T334-T336 PolarHBondContact O-N 3.35Å; T334-T336 VanDerWaalsContact OG1-CB 3.29Å; T334-T336 WeakPolarHBondContact OG1-CB 3.4Å; T334-T336 PolarHBondContact OG1-OG1 2.87Å
335S49.3Very low64.7Low111 Ų11173.1 Ų73.178%0.77639%0.388SS*.  trans-65.339.1163.5-48.40000111.2
336T51Low64.7Low73 Ų7375.1 Ų75.145%0.44840%0.4SS..PPolyproline II helixtrans-85.4124.8-172.4-57.40000108.7T334 M338T334-T336 WeakPolarHBondContact CB-OG1 3.33Å; T334-T336 PolarHBondContact O-N 3.35Å; T334-T336 VanDerWaalsContact OG1-CB 3.29Å; T334-T336 WeakPolarHBondContact OG1-CB 3.4Å; T334-T336 PolarHBondContact OG1-OG1 2.87Å; T336-M338 PolarHBondContact O-N 3.24Å
337T59.8Low64.9Low44 Ų4482.2 Ų82.227%0.2743%0.427SS..PPolyproline II helixtrans-60.2120.5170.1-62.10000109.4E358 K438T337-E358 HydrophobicContact CG2-CB 3.52Å; T337-E358 HydrophobicContact CG2-CG 3.59Å; T337-E358 WeakPolarHBondContact CG2-OE2 3.32Å; T337-K438 PolarHBondContact OG1-NZ 3.49Å
338M66.8Low65.4Low68 Ų6882.6 Ų82.634%0.33543%0.43SS..EExtended strand (participates in β ladder)trans-86.5153.8165.3-63.1-179173.200109.4A331 T336 E358 I359A331-M338 HydrophobicContact CB-CE 3.52Å; T336-M338 PolarHBondContact O-N 3.24Å; M338-E358 CarbonylContact O-C 3.56Å; M338-E358 WeakPolarHBondContact O-CA 3.43Å; M338-I359 HydrophobicContact CB-CB 4.18Å; M338-I359 PolarHBondContact N-O 2.82Å; M338-I359 VanDerWaalsContact N-O 3.15Å; M338-I359 PolarHBondContact O-N 3.33Å
339R68.3Low65.9Low198 Ų19879.4 Ų79.475%0.74742%0.418SS*.EExtended strand (participates in β ladder)trans-112.5144.4170-83.9-173.4179.1150.44110.8G357 E358R339-G357 CarbonylContact C-O 3.51Å; R339-G357 WeakPolarHBondContact CA-O 3.45Å; R339-E358 HydrophobicContact CG-CG 4.18Å; R339-E358 IonicContact CZ-OE1 3.66Å; R339-E358 IonicContact NE-OE1 3.21Å; R339-E358 IonicContact NH2-OE1 3.92Å; R339-E358 PolarHBondContact NH2-OE1 3.3Å
340T63.7Low66.5Low38 Ų3877.3 Ų77.323%0.23340%0.398CS..  trans-134.7137.1172.8170.40000109R342 G357 I359T340-R342 WeakPolarHBondContact CG2-O 3.38Å; T340-R342 PolarHBondContact O-N 3.46Å; T340-R342 PolarHBondContact OG1-N 3.27Å; T340-R342 VanDerWaalsContact OG1-N 3.09Å; T340-R342 PolarHBondContact OG1-O 3.39Å; T340-G357 VanDerWaalsContact CG2-O 3.28Å; T340-G357 WeakPolarHBondContact CG2-O 3.3Å; T340-G357 PolarHBondContact N-O 2.88Å; T340-G357 WeakPolarHBondContact O-CA 3.4Å; T340-I359 HydrophobicContact CG2-CD1 3.73Å; T340-I359 HydrophobicContact CG2-CG1 3.82Å
341D56.4Low67.7Low175 Ų17576.6 Ų76.694%0.93639%0.393SS*.SBendtrans-71.8-16.8172.9-58.4-41.9000111.8
342R63.9Low69.2Low81 Ų8177.1 Ų77.131%0.30640%0.397SS..  trans-93.5101177.2-165.4-172.9173.2-177.3-0.4111.1T340 V344T340-R342 WeakPolarHBondContact CG2-O 3.38Å; T340-R342 PolarHBondContact O-N 3.46Å; T340-R342 PolarHBondContact OG1-N 3.27Å; T340-R342 VanDerWaalsContact OG1-N 3.09Å; T340-R342 PolarHBondContact OG1-O 3.39Å; R342-V344 HydrophobicContact CG-CG1 3.98Å
343I71.4Confident71.1Confident93 Ų9369.6 Ų69.648%0.47737%0.365SS..  trans-79.5123.1171.2-58.8159.3000108.2M350 L355I343-M350 HydrophobicContact CG2-CE 3.76Å; I343-L355 WeakPolarHBondContact CD1-O 3.07Å
344V69.5Low73.4Confident28 Ų2862.7 Ų62.717%0.1734%0.336CS..  trans-141.9151.9-179.7-71.80000108.8L326 R342 M350L326-V344 HydrophobicContact CD1-CB 3.81Å; L326-V344 HydrophobicContact CD1-CG2 3.94Å; L326-V344 HydrophobicContact CD2-CB 4.13Å; L326-V344 HydrophobicContact CD2-CG1 4.38Å; L326-V344 HydrophobicContact CD2-CG2 4Å; L326-V344 HydrophobicContact CG-CG2 4.43Å; R342-V344 HydrophobicContact CG-CG1 3.98Å; V344-M350 WeakPolarHBondContact O-CE 3.48Å
345G76.3Confident75.4Confident30 Ų3062.7 Ų62.731%0.30933%0.332SS..SBendtrans130.1173.1-17700000111.5
346T81.9Confident77Confident45 Ų4566.3 Ų66.328%0.27633%0.329SS..  trans-92.4112.3-178.9-52.90000110.6D305 K307 A348 Y349 M350D305-T346 PolarHBondContact OD1-N 3Å; D305-T346 PolarHBondContact OD1-OG1 2.92Å; K307-T346 HydrophobicContact CD-CG2 4.33Å; K307-T346 VanDerWaalsContact CD-OG1 3.22Å; K307-T346 WeakPolarHBondContact CD-OG1 3.21Å; K307-T346 PolarHBondContact NZ-OG1 3.26Å; T346-A348 VanDerWaalsContact C-N 3.29Å; T346-A348 PolarHBondContact O-N 3.2Å; T346-Y349 HydrophobicContact CG2-CD2 3.71Å; T346-Y349 HydrophobicContact CG2-CE2 4.04Å; T346-Y349 WeakPolarHBondContact O-CB 3.47Å; T346-Y349 PolarHBondContact O-N 3.47Å; T346-M350 WeakPolarHBondContact O-CG 3.04Å; T346-M350 PolarHBondContact O-N 3.39Å
347R86.3Confident78.3Confident156 Ų15663 Ų6359%0.58931%0.309SS*.G310 helixtrans-48.3-41.4-168.6-74.6178.463-171.5-6.7115.3Y349 M350R347-Y349 PolarHBondContact O-N 2.84Å; R347-Y349 VanDerWaalsContact O-N 3.08Å; R347-M350 PolarHBondContact O-N 3.44Å; R347-M350 VanDerWaalsContact O-N 3.13Å
348A92.4Very high79.5Confident8 Ų862.1 Ų62.17%0.06630%0.302CS..G310 helixtrans-64.3-10.2-18000000114.5T346 P381 A382 F390T346-A348 VanDerWaalsContact C-N 3.29Å; T346-A348 PolarHBondContact O-N 3.2Å; A348-P381 HydrophobicContact CB-CB 3.93Å; A348-P381 HydrophobicContact CB-CG 4.35Å; A348-A382 HydrophobicContact CB-CB 4.01Å; A348-F390 HydrophobicContact CB-CD1 3.8Å; A348-F390 HydrophobicContact CB-CE1 4.06Å
349Y95.6Very high80.4Confident8 Ų859.5 Ų59.53%0.03129%0.289CS..G310 helixtrans-114.7-4.6179.2-63.4-91.9000112.9K307 S308 T346 R347 S367 V370 V371 E374 P381K307-Y349 HydrophobicContact CB-CD1 3.9Å; K307-Y349 HydrophobicContact CB-CD2 3.81Å; K307-Y349 HydrophobicContact CB-CE1 3.72Å; K307-Y349 HydrophobicContact CB-CE2 3.59Å; K307-Y349 HydrophobicContact CB-CG 3.95Å; S308-Y349 PolarHBondContact OG-OH 3.34Å; T346-Y349 HydrophobicContact CG2-CD2 3.71Å; T346-Y349 HydrophobicContact CG2-CE2 4.04Å; T346-Y349 WeakPolarHBondContact O-CB 3.47Å; T346-Y349 PolarHBondContact O-N 3.47Å; R347-Y349 PolarHBondContact O-N 2.84Å; R347-Y349 VanDerWaalsContact O-N 3.08Å; Y349-S367 WeakPolarHBondContact O-CA 3Å; Y349-S367 WeakPolarHBondContact O-CB 3.12Å; Y349-S367 PolarHBondContact O-OG 3.11Å; Y349-V370 HydrophobicContact CD1-CB 3.78Å; Y349-V370 HydrophobicContact CD1-CG1 3.72Å; Y349-V370 HydrophobicContact CE1-CB 4.16Å; Y349-V370 HydrophobicContact CE1-CG1 3.74Å; Y349-V370 HydrophobicContact CG-CG1 4.47Å; Y349-V371 HydrophobicContact CD1-CG2 4.4Å; Y349-V371 HydrophobicContact CE1-CG2 4Å; Y349-E374 WeakPolarHBondContact CE1-OE2 3.5Å; Y349-E374 PolarHBondContact OH-OE1 3.2Å; Y349-E374 PolarHBondContact OH-OE2 3.38Å; Y349-P381 HydrophobicContact CD2-CB 4.38Å; Y349-P381 HydrophobicContact CE1-CB 4.1Å; Y349-P381 HydrophobicContact CE2-CB 3.57Å; Y349-P381 HydrophobicContact CE2-CG 3.57Å; Y349-P381 WeakPolarHBondContact OH-CB 3.4Å; Y349-P381 WeakPolarHBondContact OH-CG 3.09Å
350M91.8Very high81.5Confident14 Ų1450.5 Ų50.57%0.06926%0.256CS..  trans-87.3126.1-167.8-71.5-176.47800112.2I343 V344 T346 R347 A354 L355I343-M350 HydrophobicContact CG2-CE 3.76Å; V344-M350 WeakPolarHBondContact O-CE 3.48Å; T346-M350 WeakPolarHBondContact O-CG 3.04Å; T346-M350 PolarHBondContact O-N 3.39Å; R347-M350 PolarHBondContact O-N 3.44Å; R347-M350 VanDerWaalsContact O-N 3.13Å; M350-A354 HydrophobicContact CE-CB 3.94Å; M350-L355 HydrophobicContact CB-CD2 3.92Å; M350-L355 HydrophobicContact CB-CG 3.96Å; M350-L355 HydrophobicContact CE-CD2 3.95Å; M350-L355 HydrophobicContact CE-CG 4.44Å; M350-L355 HydrophobicContact CG-CD2 4.48Å; M350-L355 HydrophobicContact SD-CD2 3.78Å
351A93.1Very high82.9Confident0 Ų050.4 Ų50.40%026%0.256CS..  trans-63.915316800000111.9E353 A354 L355 F366A351-E353 VanDerWaalsContact CB-OE2 3.3Å; A351-E353 WeakPolarHBondContact CB-OE2 3.14Å; A351-E353 PolarHBondContact O-N 3.07Å; A351-A354 WeakPolarHBondContact O-CB 3.38Å; A351-A354 PolarHBondContact O-N 3.14Å; A351-L355 PolarHBondContact O-N 3.15Å; A351-L355 VanDerWaalsContact O-N 3.08Å; A351-F366 HydrophobicContact CB-CB 3.76Å; A351-F366 HydrophobicContact CB-CD1 3.82Å; A351-F366 HydrophobicContact CB-CD2 4.09Å; A351-F366 HydrophobicContact CB-CE1 4.46Å; A351-F366 HydrophobicContact CB-CG 3.61Å
352A89.6Confident84.7Confident43 Ų4343.1 Ų43.136%0.35522%0.216SC..Hα-helixtrans-54.9-37.3179.600000113.5L355 R356A352-L355 PolarHBondContact O-N 3.11Å; A352-R356 WeakPolarHBondContact O-CG 3.41Å; A352-R356 PolarHBondContact O-N 3.4Å
353E86.9Confident86.2Confident9 Ų939.5 Ų39.54%0.04220%0.203CC..Hα-helixtrans-72.1-33.3176.876-80.7-171.700113A351 L355 R356 G357 E358 T360 K438 R441A351-E353 VanDerWaalsContact CB-OE2 3.3Å; A351-E353 WeakPolarHBondContact CB-OE2 3.14Å; A351-E353 PolarHBondContact O-N 3.07Å; E353-L355 VanDerWaalsContact C-N 3.3Å; E353-L355 PolarHBondContact O-N 2.94Å; E353-R356 CarbonylContact O-C 3.35Å; E353-R356 WeakPolarHBondContact O-CA 3.18Å; E353-R356 WeakPolarHBondContact O-CB 3.49Å; E353-R356 PolarHBondContact O-N 3.09Å; E353-G357 PolarHBondContact O-N 3.21Å; E353-E358 HydrophobicContact CB-CB 3.94Å; E353-E358 HydrophobicContact CB-CG 4.37Å; E353-E358 HydrophobicContact CG-CB 4.15Å; E353-E358 VanDerWaalsContact O-CB 3.28Å; E353-E358 WeakPolarHBondContact O-CB 3.4Å; E353-E358 PolarHBondContact O-N 3.22Å; E353-T360 HydrophobicContact CG-CG2 3.93Å; E353-K438 HydrophobicContact CB-CD 4.33Å; E353-K438 HydrophobicContact CG-CD 3.9Å; E353-R441 IonicContact OE1-CZ 3.86Å; E353-R441 IonicContact OE1-NH1 3.42Å; E353-R441 PolarHBondContact OE1-NH1 2.53Å; E353-R441 IonicContact OE1-NH2 3.62Å; E353-R441 IonicContact OE2-CZ 2.91Å; E353-R441 IonicContact OE2-NH1 3.79Å; E353-R441 PolarHBondContact OE2-NH1 2.55Å; E353-R441 IonicContact OE2-NH2 3.93Å; E353-R441 PolarHBondContact OE2-NH2 2.86Å
354A86.9Confident87.4Confident16 Ų1635.1 Ų35.113%0.13218%0.181CC..Hα-helixtrans-66.1-37.1175.200000110.8M350 A351 R356 G357M350-A354 HydrophobicContact CE-CB 3.94Å; A351-A354 WeakPolarHBondContact O-CB 3.38Å; A351-A354 PolarHBondContact O-N 3.14Å; A354-R356 PolarHBondContact O-N 3.13Å; A354-G357 PolarHBondContact O-N 3.02Å
355L83.4Confident88.7Confident78 Ų7833.9 Ų33.941%0.40817%0.173SC..Hα-helixtrans-65-21.6171-66.8171.6000113I343 M350 A351 A352 E353 G357I343-L355 WeakPolarHBondContact CD1-O 3.07Å; M350-L355 HydrophobicContact CB-CD2 3.92Å; M350-L355 HydrophobicContact CB-CG 3.96Å; M350-L355 HydrophobicContact CE-CD2 3.95Å; M350-L355 HydrophobicContact CE-CG 4.44Å; M350-L355 HydrophobicContact CG-CD2 4.48Å; M350-L355 HydrophobicContact SD-CD2 3.78Å; A351-L355 PolarHBondContact O-N 3.15Å; A351-L355 VanDerWaalsContact O-N 3.08Å; A352-L355 PolarHBondContact O-N 3.11Å; E353-L355 VanDerWaalsContact C-N 3.3Å; E353-L355 PolarHBondContact O-N 2.94Å; L355-G357 VanDerWaalsContact C-N 3.31Å
356R82.6Confident89.7Confident188 Ų18832.9 Ų32.971%0.70916%0.16SC*.THydrogen-bonded Turntrans-90.25.8172.2-64.7170.5-173.91733112.9A352 E353 A354A352-R356 WeakPolarHBondContact O-CG 3.41Å; A352-R356 PolarHBondContact O-N 3.4Å; E353-R356 CarbonylContact O-C 3.35Å; E353-R356 WeakPolarHBondContact O-CA 3.18Å; E353-R356 WeakPolarHBondContact O-CB 3.49Å; E353-R356 PolarHBondContact O-N 3.09Å; A354-R356 PolarHBondContact O-N 3.13Å
357G78.1Confident90.5Very high2 Ų231.1 Ų31.12%0.02115%0.15CC..THydrogen-bonded Turntrans80.314.9-179.600000114.4R339 T340 E353 A354 L355R339-G357 CarbonylContact C-O 3.51Å; R339-G357 WeakPolarHBondContact CA-O 3.45Å; T340-G357 VanDerWaalsContact CG2-O 3.28Å; T340-G357 WeakPolarHBondContact CG2-O 3.3Å; T340-G357 PolarHBondContact N-O 2.88Å; T340-G357 WeakPolarHBondContact O-CA 3.4Å; E353-G357 PolarHBondContact O-N 3.21Å; A354-G357 PolarHBondContact O-N 3.02Å; L355-G357 VanDerWaalsContact C-N 3.31Å
358E84.3Confident91Very high26 Ų2623.8 Ų23.812%0.12112%0.122CC..EExtended strand (participates in β ladder)trans-81.2130175.4-66.4-170.9-179.300111.1T337 M338 R339 E353 K438T337-E358 HydrophobicContact CG2-CB 3.52Å; T337-E358 HydrophobicContact CG2-CG 3.59Å; T337-E358 WeakPolarHBondContact CG2-OE2 3.32Å; M338-E358 CarbonylContact O-C 3.56Å; M338-E358 WeakPolarHBondContact O-CA 3.43Å; R339-E358 HydrophobicContact CG-CG 4.18Å; R339-E358 IonicContact CZ-OE1 3.66Å; R339-E358 IonicContact NE-OE1 3.21Å; R339-E358 IonicContact NH2-OE1 3.92Å; R339-E358 PolarHBondContact NH2-OE1 3.3Å; E353-E358 HydrophobicContact CB-CB 3.94Å; E353-E358 HydrophobicContact CB-CG 4.37Å; E353-E358 HydrophobicContact CG-CB 4.15Å; E353-E358 VanDerWaalsContact O-CB 3.28Å; E353-E358 WeakPolarHBondContact O-CB 3.4Å; E353-E358 PolarHBondContact O-N 3.22Å; E358-K438 IonicContact OE2-NZ 3.7Å; E358-K438 PolarHBondContact OE2-NZ 3.33Å
359I86.6Confident91.3Very high13 Ų1323.4 Ų23.47%0.06712%0.119CC..EExtended strand (participates in β ladder)trans-103.4118.3175.3-53.6173000107.9V302 R304 R328 M338 T340V302-I359 HydrophobicContact CB-CG2 4.09Å; V302-I359 HydrophobicContact CG1-CG2 4.2Å; V302-I359 HydrophobicContact CG2-CG2 4.2Å; R304-I359 HydrophobicContact CG-CG2 4.44Å; R328-I359 HydrophobicContact CB-CG2 4.4Å; R328-I359 HydrophobicContact CG-CD1 4.21Å; M338-I359 HydrophobicContact CB-CB 4.18Å; M338-I359 PolarHBondContact N-O 2.82Å; M338-I359 VanDerWaalsContact N-O 3.15Å; M338-I359 PolarHBondContact O-N 3.33Å; T340-I359 HydrophobicContact CG2-CD1 3.73Å; T340-I359 HydrophobicContact CG2-CG1 3.82Å
360T90.7Very high91.4Very high9 Ų923 Ų236%0.05512%0.118CC..  trans-154.5144.4-179.6171.10000110V302 E353 K362 S363V302-T360 WeakPolarHBondContact CG1-O 2.99Å; E353-T360 HydrophobicContact CG-CG2 3.93Å; T360-K362 HydrophobicContact CG2-CB 4.14Å; T360-K362 PolarHBondContact O-N 3.32Å; T360-K362 PolarHBondContact OG1-N 3.38Å; T360-S363 PolarHBondContact O-N 2.86Å; T360-S363 PolarHBondContact O-OG 2.94Å
361P93.2Very high91.7Very high36 Ų3622.3 Ų22.323%0.23411%0.114CC..Hα-helixtrans-54.3-25170.7-24.132.7000113.4H297 V302 S363 D364 V365H297-P361 PolarHBondContact CE1-O 3.44Å; H297-P361 VanDerWaalsContact CE1-O 3.26Å; V302-P361 HydrophobicContact CG2-CG 3.89Å; P361-S363 VanDerWaalsContact C-N 3.25Å; P361-S363 PolarHBondContact O-N 3.33Å; P361-D364 PolarHBondContact O-N 2.93Å; P361-V365 PolarHBondContact O-N 2.71Å
362K94.8Very high92Very high22 Ų2222.4 Ų22.410%0.09612%0.115CC..Hα-helixtrans-67.2-21.8178.3-62.7-63.6-172.4126.60113.8T360 F366 K438 R441T360-K362 HydrophobicContact CG2-CB 4.14Å; T360-K362 PolarHBondContact O-N 3.32Å; T360-K362 PolarHBondContact OG1-N 3.38Å; K362-F366 PolarHBondContact O-N 3.17Å; K362-K438 HydrophobicContact CB-CB 4.04Å; K362-K438 WeakPolarHBondContact CD-O 3.35Å; K362-K438 WeakPolarHBondContact CG-O 3.25Å; K362-K438 PolarHBondContact NZ-O 2.97Å; K362-R441 HydrophobicContact CD-CB 4.48Å; K362-R441 PolarHBondContact NZ-O 3.06Å; K362-R441 PolarHBondContact O-NH1 2.72Å
363S94.6Very high92.4Very high6 Ų620.4 Ų20.44%0.04210%0.098CC..Hα-helixtrans-74.3-37.6173.862.90000111.1T360 P361 V365 F366 S367T360-S363 PolarHBondContact O-N 2.86Å; T360-S363 PolarHBondContact O-OG 2.94Å; P361-S363 VanDerWaalsContact C-N 3.25Å; P361-S363 PolarHBondContact O-N 3.33Å; S363-V365 VanDerWaalsContact C-N 3.28Å; S363-V365 PolarHBondContact O-N 2.63Å; S363-F366 WeakPolarHBondContact O-CB 3.37Å; S363-F366 PolarHBondContact O-N 2.77Å; S363-S367 PolarHBondContact O-N 2.78Å; S363-S367 PolarHBondContact O-OG 3.18Å
364D96.6Very high92.9Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-63.3-36.6174-68-14.2000111.3L293 H297 V302 H303 R304 V306 P361 F366 S367 F368L293-D364 HydrophobicContact CD2-CB 4.49Å; H297-D364 IonicContact CD2-OD2 3.69Å; H297-D364 IonicContact CE1-OD2 2.78Å; H297-D364 IonicContact NE2-OD2 2.65Å; H297-D364 PolarHBondContact NE2-OD2 3.05Å; V302-D364 WeakPolarHBondContact CA-OD2 3.39Å; V302-D364 WeakPolarHBondContact CG1-OD2 3.22Å; H303-D364 PolarHBondContact N-OD1 3.24Å; H303-D364 PolarHBondContact N-OD2 3.13Å; R304-D364 PolarHBondContact N-OD1 2.87Å; V306-D364 HydrophobicContact CG2-CB 4Å; P361-D364 PolarHBondContact O-N 2.93Å; D364-F366 VanDerWaalsContact C-N 3.35Å; D364-S367 PolarHBondContact O-N 3.2Å; D364-F368 WeakPolarHBondContact O-CB 3.39Å; D364-F368 PolarHBondContact O-N 3.13Å
365V96.9Very high93.4Very high2 Ų219.2 Ų19.21%0.0129%0.09CC..Hα-helixtrans-61.8-43175176.10000111.1P361 S363 F368 G369 C433 R441 P442 I444P361-V365 PolarHBondContact O-N 2.71Å; S363-V365 VanDerWaalsContact C-N 3.28Å; S363-V365 PolarHBondContact O-N 2.63Å; V365-F368 WeakPolarHBondContact O-CB 3.35Å; V365-F368 PolarHBondContact O-N 3.22Å; V365-G369 PolarHBondContact O-N 3.3Å; V365-C433 HydrophobicContact CG1-CB 3.98Å; V365-C433 WeakPolarHBondContact O-CB 3.34Å; V365-R441 HydrophobicContact CG1-CB 4.24Å; V365-P442 HydrophobicContact CG1-CG 4.41Å; V365-I444 HydrophobicContact CG2-CB 4.41Å
366F97.6Very high94.1Very high9 Ų915.5 Ų15.54%0.0397%0.07CC..Hα-helixtrans-62.1-48.5176-178-81.3000111.4A351 K362 S363 D364 F368 G369 V370 M392 C433 L434A351-F366 HydrophobicContact CB-CB 3.76Å; A351-F366 HydrophobicContact CB-CD1 3.82Å; A351-F366 HydrophobicContact CB-CD2 4.09Å; A351-F366 HydrophobicContact CB-CE1 4.46Å; A351-F366 HydrophobicContact CB-CG 3.61Å; K362-F366 PolarHBondContact O-N 3.17Å; S363-F366 WeakPolarHBondContact O-CB 3.37Å; S363-F366 PolarHBondContact O-N 2.77Å; D364-F366 VanDerWaalsContact C-N 3.35Å; F366-F368 PolarHBondContact O-N 3.41Å; F366-G369 WeakPolarHBondContact O-CA 3.27Å; F366-G369 PolarHBondContact O-N 3.43Å; F366-V370 HydrophobicContact CE1-CG2 4.28Å; F366-V370 PolarHBondContact O-N 3.04Å; F366-M392 HydrophobicContact CE1-SD 3.9Å; F366-M392 HydrophobicContact CZ-SD 3.94Å; F366-C433 WeakPolarHBondContact CA-O 3.47Å; F366-L434 HydrophobicContact CD1-CD2 4.04Å; F366-L434 HydrophobicContact CD2-CB 4.43Å; F366-L434 HydrophobicContact CD2-CD2 3.93Å; F366-L434 HydrophobicContact CE1-CD2 3.88Å; F366-L434 HydrophobicContact CE2-CB 4.2Å; F366-L434 HydrophobicContact CE2-CD2 3.78Å; F366-L434 WeakPolarHBondContact CE2-O 3.44Å; F366-L434 HydrophobicContact CG-CD2 4.05Å; F366-L434 HydrophobicContact CZ-CD2 3.74Å; F366-L434 WeakPolarHBondContact O-CD2 3.31Å
367S98.3Very high94.7Very high8 Ų86.8 Ų6.86%0.0564%0.038CC..Hα-helixtrans-59.4-36.8176.8-56.50000112.2V306 Y349 S363 D364 G369 V370 V371V306-S367 WeakPolarHBondContact O-CB 3.22Å; Y349-S367 WeakPolarHBondContact O-CA 3Å; Y349-S367 WeakPolarHBondContact O-CB 3.12Å; Y349-S367 PolarHBondContact O-OG 3.11Å; S363-S367 PolarHBondContact O-N 2.78Å; S363-S367 PolarHBondContact O-OG 3.18Å; D364-S367 PolarHBondContact O-N 3.2Å; S367-G369 VanDerWaalsContact C-N 3.34Å; S367-V370 PolarHBondContact O-N 3.14Å; S367-V371 PolarHBondContact O-N 3.09Å
368F98.2Very high95.6Very high2 Ų27.3 Ų7.31%0.0094%0.043CC..Hα-helixtrans-65.3-35.2172.4-176.6-114.7000112.6A286 T289 A290 L293 D364 V365 F366 V370 V371 L372 I444 V447A286-F368 WeakPolarHBondContact O-CZ 3.4Å; T289-F368 HydrophobicContact CG2-CD2 3.7Å; T289-F368 HydrophobicContact CG2-CE2 3.51Å; A290-F368 HydrophobicContact CB-CE1 4.23Å; A290-F368 HydrophobicContact CB-CZ 4.05Å; L293-F368 HydrophobicContact CD1-CB 3.83Å; L293-F368 HydrophobicContact CD1-CD2 3.95Å; L293-F368 HydrophobicContact CD1-CG 3.9Å; D364-F368 WeakPolarHBondContact O-CB 3.39Å; D364-F368 PolarHBondContact O-N 3.13Å; V365-F368 WeakPolarHBondContact O-CB 3.35Å; V365-F368 PolarHBondContact O-N 3.22Å; F366-F368 PolarHBondContact O-N 3.41Å; F368-V370 VanDerWaalsContact C-N 3.3Å; F368-V370 PolarHBondContact O-N 3.4Å; F368-V371 HydrophobicContact CD2-CB 4.43Å; F368-V371 WeakPolarHBondContact O-CB 3.4Å; F368-V371 PolarHBondContact O-N 3.33Å; F368-V371 VanDerWaalsContact O-N 3.13Å; F368-L372 HydrophobicContact CD1-CD1 4.11Å; F368-L372 HydrophobicContact CD1-CG 4.24Å; F368-L372 HydrophobicContact CE1-CD1 3.75Å; F368-L372 HydrophobicContact CE1-CD2 3.91Å; F368-L372 HydrophobicContact CE1-CG 3.86Å; F368-L372 HydrophobicContact CE2-CD2 4.22Å; F368-L372 HydrophobicContact CE2-CG 4.46Å; F368-L372 HydrophobicContact CZ-CD1 4.34Å; F368-L372 HydrophobicContact CZ-CD2 3.63Å; F368-L372 HydrophobicContact CZ-CG 3.99Å; F368-L372 WeakPolarHBondContact O-CG 3.17Å; F368-L372 PolarHBondContact O-N 3.04Å; F368-I444 HydrophobicContact CD1-CD1 4.06Å; F368-I444 HydrophobicContact CE1-CD1 4.45Å; F368-V447 HydrophobicContact CD1-CG1 4.29Å; F368-V447 HydrophobicContact CE1-CG1 3.71Å
369G97.7Very high96.1Very high0 Ų08.7 Ų8.70%05%0.051CC..Hα-helixtrans-57.3-41171.500000112.8V365 F366 S367 L372 L373V365-G369 PolarHBondContact O-N 3.3Å; F366-G369 WeakPolarHBondContact O-CA 3.27Å; F366-G369 PolarHBondContact O-N 3.43Å; S367-G369 VanDerWaalsContact C-N 3.34Å; G369-L372 WeakPolarHBondContact O-CB 3.43Å; G369-L372 PolarHBondContact O-N 2.72Å; G369-L373 PolarHBondContact O-N 2.9Å; G369-L373 VanDerWaalsContact O-N 3.13Å
370V98.3Very high96.5Very high0 Ų010.8 Ų10.80%07%0.066CC..Hα-helixtrans-63.8-43.5173.8-176.20000110.9Y349 F366 S367 F368 L372 L373 E374 P381 M392 L434Y349-V370 HydrophobicContact CD1-CB 3.78Å; Y349-V370 HydrophobicContact CD1-CG1 3.72Å; Y349-V370 HydrophobicContact CE1-CB 4.16Å; Y349-V370 HydrophobicContact CE1-CG1 3.74Å; Y349-V370 HydrophobicContact CG-CG1 4.47Å; F366-V370 HydrophobicContact CE1-CG2 4.28Å; F366-V370 PolarHBondContact O-N 3.04Å; S367-V370 PolarHBondContact O-N 3.14Å; F368-V370 VanDerWaalsContact C-N 3.3Å; F368-V370 PolarHBondContact O-N 3.4Å; V370-L372 VanDerWaalsContact C-N 3.28Å; V370-L372 PolarHBondContact O-N 3.05Å; V370-L373 WeakPolarHBondContact O-CB 3.19Å; V370-L373 PolarHBondContact O-N 2.71Å; V370-L373 VanDerWaalsContact O-N 3.1Å; V370-E374 PolarHBondContact O-N 3.13Å; V370-P381 HydrophobicContact CG1-CB 4.25Å; V370-M392 HydrophobicContact CG2-CB 3.95Å; V370-L434 HydrophobicContact CG2-CD2 3.66Å
371V98.5Very high96.6Very high0 Ų011.2 Ų11.20%07%0.069CC..Hα-helixtrans-60.1-38.1175.6173.20000111.7L264 I311 Y349 S367 F368 L373 E374 I375L264-V371 HydrophobicContact CD2-CG1 3.93Å; I311-V371 HydrophobicContact CD1-CB 4.47Å; I311-V371 HydrophobicContact CD1-CG1 3.67Å; I311-V371 HydrophobicContact CD1-CG2 4.08Å; Y349-V371 HydrophobicContact CD1-CG2 4.4Å; Y349-V371 HydrophobicContact CE1-CG2 4Å; S367-V371 PolarHBondContact O-N 3.09Å; F368-V371 HydrophobicContact CD2-CB 4.43Å; F368-V371 WeakPolarHBondContact O-CB 3.4Å; F368-V371 PolarHBondContact O-N 3.33Å; F368-V371 VanDerWaalsContact O-N 3.13Å; V371-L373 VanDerWaalsContact C-N 3.35Å; V371-E374 WeakPolarHBondContact O-CB 3.46Å; V371-E374 PolarHBondContact O-N 2.66Å; V371-I375 HydrophobicContact CG1-CD1 4.03Å; V371-I375 HydrophobicContact CG1-CG1 4.42Å; V371-I375 VanDerWaalsContact O-CG1 3.29Å; V371-I375 WeakPolarHBondContact O-CG1 2.91Å; V371-I375 PolarHBondContact O-N 2.75Å
372L97.9Very high96.6Very high2 Ų211.2 Ų11.21%0.017%0.072CC..Hα-helixtrans-63.4-40.5174.9-68.3178.3000111.7A286 F368 G369 V370 I375 L376 I426 L429 A430A286-L372 HydrophobicContact CB-CD2 3.81Å; F368-L372 HydrophobicContact CD1-CD1 4.11Å; F368-L372 HydrophobicContact CD1-CG 4.24Å; F368-L372 HydrophobicContact CE1-CD1 3.75Å; F368-L372 HydrophobicContact CE1-CD2 3.91Å; F368-L372 HydrophobicContact CE1-CG 3.86Å; F368-L372 HydrophobicContact CE2-CD2 4.22Å; F368-L372 HydrophobicContact CE2-CG 4.46Å; F368-L372 HydrophobicContact CZ-CD1 4.34Å; F368-L372 HydrophobicContact CZ-CD2 3.63Å; F368-L372 HydrophobicContact CZ-CG 3.99Å; F368-L372 WeakPolarHBondContact O-CG 3.17Å; F368-L372 PolarHBondContact O-N 3.04Å; G369-L372 WeakPolarHBondContact O-CB 3.43Å; G369-L372 PolarHBondContact O-N 2.72Å; V370-L372 VanDerWaalsContact C-N 3.28Å; V370-L372 PolarHBondContact O-N 3.05Å; L372-I375 WeakPolarHBondContact O-CB 3.49Å; L372-I375 PolarHBondContact O-N 2.83Å; L372-L376 WeakPolarHBondContact O-CG 3.17Å; L372-L376 PolarHBondContact O-N 3.15Å; L372-I426 HydrophobicContact CB-CG2 4.38Å; L372-I426 HydrophobicContact CD2-CG2 4.17Å; L372-L429 HydrophobicContact CD1-CB 4.48Å; L372-L429 HydrophobicContact CD1-CD2 4.22Å; L372-L429 HydrophobicContact CD1-CG 4.03Å; L372-A430 HydrophobicContact CB-CB 3.71Å; L372-A430 HydrophobicContact CD1-CB 4.16Å
373L97.8Very high96.4Very high0 Ų012.2 Ų12.20%08%0.078CC..Hα-helixtrans-63.6-40.2173.7-65.7-177.7000112.2G369 V370 V371 I375 L376 S377 L391 F410 Y427 A430 L434G369-L373 PolarHBondContact O-N 2.9Å; G369-L373 VanDerWaalsContact O-N 3.13Å; V370-L373 WeakPolarHBondContact O-CB 3.19Å; V370-L373 PolarHBondContact O-N 2.71Å; V370-L373 VanDerWaalsContact O-N 3.1Å; V371-L373 VanDerWaalsContact C-N 3.35Å; L373-I375 VanDerWaalsContact C-N 3.32Å; L373-I375 PolarHBondContact O-N 3.19Å; L373-L376 PolarHBondContact O-N 3.41Å; L373-S377 WeakPolarHBondContact O-CB 3.47Å; L373-S377 PolarHBondContact O-N 3.44Å; L373-S377 PolarHBondContact O-OG 3.4Å; L373-L391 HydrophobicContact CB-CD2 3.87Å; L373-L391 HydrophobicContact CB-CG 4.05Å; L373-F410 HydrophobicContact CB-CZ 4.2Å; L373-F410 HydrophobicContact CD2-CE1 4.12Å; L373-F410 HydrophobicContact CD2-CZ 4.25Å; L373-Y427 HydrophobicContact CD2-CD2 4.09Å; L373-Y427 HydrophobicContact CD2-CE2 4.16Å; L373-A430 HydrophobicContact CD2-CB 3.86Å; L373-A430 HydrophobicContact CG-CB 4.16Å; L373-L434 HydrophobicContact CD1-CD1 3.5Å; L373-L434 VanDerWaalsContact CD1-CD1 3.5Å; L373-L434 HydrophobicContact CG-CD1 4.08Å
374E98.3Very high96Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-61.6-41.9173-66.7-179.590.100110.9L268 S308 Y349 V370 V371 L376 G378 P381 L391L268-E374 HydrophobicContact CD1-CB 3.88Å; S308-E374 WeakPolarHBondContact CB-OE1 3.1Å; S308-E374 WeakPolarHBondContact CB-OE2 3.28Å; S308-E374 VanDerWaalsContact OG-CD 3.3Å; S308-E374 PolarHBondContact OG-OE1 2.83Å; S308-E374 PolarHBondContact OG-OE2 3.06Å; Y349-E374 WeakPolarHBondContact CE1-OE2 3.5Å; Y349-E374 PolarHBondContact OH-OE1 3.2Å; Y349-E374 PolarHBondContact OH-OE2 3.38Å; V370-E374 PolarHBondContact O-N 3.13Å; V371-E374 WeakPolarHBondContact O-CB 3.46Å; V371-E374 PolarHBondContact O-N 2.66Å; E374-L376 VanDerWaalsContact C-N 3.32Å; E374-L376 PolarHBondContact O-N 2.9Å; E374-G378 VanDerWaalsContact O-CA 3.27Å; E374-G378 WeakPolarHBondContact O-CA 3.4Å; E374-G378 PolarHBondContact O-N 3.35Å; E374-P381 WeakPolarHBondContact OE1-CD 3.14Å; E374-L391 HydrophobicContact CB-CD2 4.27Å; E374-L391 HydrophobicContact CG-CD2 3.57Å
375I97.5Very high95.6Very high0 Ų027.2 Ų27.20%015%0.152CC..Hα-helixtrans-62.7-39.1177.3-74.1172.8000111.3L264 R282 I285 A286 V371 L372 L373L264-I375 HydrophobicContact CD2-CD1 4.04Å; L264-I375 HydrophobicContact CD2-CG1 4.03Å; R282-I375 HydrophobicContact CB-CG2 3.63Å; R282-I375 WeakPolarHBondContact CD-O 3.48Å; R282-I375 HydrophobicContact CG-CG2 4.03Å; R282-I375 PolarHBondContact NH1-O 2.68Å; I285-I375 HydrophobicContact CG2-CD1 4.47Å; A286-I375 HydrophobicContact CB-CD1 3.91Å; V371-I375 HydrophobicContact CG1-CD1 4.03Å; V371-I375 HydrophobicContact CG1-CG1 4.42Å; V371-I375 VanDerWaalsContact O-CG1 3.29Å; V371-I375 WeakPolarHBondContact O-CG1 2.91Å; V371-I375 PolarHBondContact O-N 2.75Å; L372-I375 WeakPolarHBondContact O-CB 3.49Å; L372-I375 PolarHBondContact O-N 2.83Å; L373-I375 VanDerWaalsContact C-N 3.32Å; L373-I375 PolarHBondContact O-N 3.19Å
376L96.9Very high95Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-70.6-44.8179.2-71.6175.7000112.6W279 L372 L373 E374 F410 L411 D412 V423 I426 Y427W279-L376 HydrophobicContact CH2-CD2 3.9Å; W279-L376 HydrophobicContact CZ3-CD2 3.88Å; L372-L376 WeakPolarHBondContact O-CG 3.17Å; L372-L376 PolarHBondContact O-N 3.15Å; L373-L376 PolarHBondContact O-N 3.41Å; E374-L376 VanDerWaalsContact C-N 3.32Å; E374-L376 PolarHBondContact O-N 2.9Å; L376-F410 HydrophobicContact CB-CE1 4.11Å; L376-L411 HydrophobicContact CB-CD2 4.36Å; L376-D412 PolarHBondContact O-N 2.99Å; L376-V423 HydrophobicContact CD2-CG1 3.8Å; L376-I426 HydrophobicContact CD1-CG2 4.1Å; L376-I426 HydrophobicContact CD2-CB 4.08Å; L376-I426 HydrophobicContact CD2-CG2 3.87Å; L376-I426 HydrophobicContact CG-CG2 3.99Å; L376-Y427 HydrophobicContact CD1-CD2 4.24Å
377S96.3Very high94.2Very high5 Ų540 Ų404%0.03521%0.211CC..Hα-helixtrans-98.2-22.1-168.763.10000114.5L373 L379 F410 D412L373-S377 WeakPolarHBondContact O-CB 3.47Å; L373-S377 PolarHBondContact O-N 3.44Å; L373-S377 PolarHBondContact O-OG 3.4Å; S377-L379 PolarHBondContact O-N 2.98Å; S377-L379 WeakPolarHBondContact OG-CB 3.25Å; S377-L379 PolarHBondContact OG-N 3.3Å; S377-F410 WeakPolarHBondContact CA-O 3.49Å; S377-F410 VanDerWaalsContact CB-CE2 3.48Å; S377-F410 VanDerWaalsContact CB-CZ 3.41Å; S377-F410 VanDerWaalsContact CB-O 3.22Å; S377-F410 WeakPolarHBondContact CB-O 3.19Å; S377-D412 VanDerWaalsContact C-CB 3.48Å; S377-D412 WeakPolarHBondContact O-CA 3.4Å; S377-D412 VanDerWaalsContact O-CB 3.28Å; S377-D412 WeakPolarHBondContact O-CB 3.42Å
378G96.3Very high93.7Very high13 Ų1341.2 Ų41.213%0.13422%0.218CC..  trans62.417.8-16900000113.4E374E374-G378 VanDerWaalsContact O-CA 3.27Å; E374-G378 WeakPolarHBondContact O-CA 3.4Å; E374-G378 PolarHBondContact O-N 3.35Å
379L95.8Very high93.4Very high55 Ų5545 Ų4529%0.28824%0.236SC..  trans-90.8152.7178.2-63.9176.8000111.1S377 L391 F410S377-L379 PolarHBondContact O-N 2.98Å; S377-L379 WeakPolarHBondContact OG-CB 3.25Å; S377-L379 PolarHBondContact OG-N 3.3Å; L379-L391 HydrophobicContact CB-CD1 4.03Å; L379-L391 HydrophobicContact CD1-CD1 4.16Å; L379-F410 HydrophobicContact CD1-CD2 4.45Å; L379-F410 HydrophobicContact CD1-CE2 4.18Å
380P94.6Very high93.2Very high57 Ų5746.9 Ų46.937%0.3724%0.244SC..  trans-67.7157.8173.230.8-35.9000111.2A382 D383P380-A382 PolarHBondContact O-N 3.05Å; P380-D383 HydrophobicContact CG-CB 4.43Å
381P93.2Very high93Very high19 Ų1947.4 Ų47.412%0.12325%0.247CC..SBendtrans-68.8-19.7-178.133.3-41.5000113.3A348 Y349 V370 E374 L391A348-P381 HydrophobicContact CB-CB 3.93Å; A348-P381 HydrophobicContact CB-CG 4.35Å; Y349-P381 HydrophobicContact CD2-CB 4.38Å; Y349-P381 HydrophobicContact CE1-CB 4.1Å; Y349-P381 HydrophobicContact CE2-CB 3.57Å; Y349-P381 HydrophobicContact CE2-CG 3.57Å; Y349-P381 WeakPolarHBondContact OH-CB 3.4Å; Y349-P381 WeakPolarHBondContact OH-CG 3.09Å; V370-P381 HydrophobicContact CG1-CB 4.25Å; E374-P381 WeakPolarHBondContact OE1-CD 3.14Å; P381-L391 PolarHBondContact O-N 3.34Å
382A93Very high92.7Very high36 Ų3648.7 Ų48.730%0.29825%0.253SS..BIsolated β-bridgetrans-148.3142.1172.600000110.5A348 P380 Q389 F390A348-A382 HydrophobicContact CB-CB 4.01Å; P380-A382 PolarHBondContact O-N 3.05Å; A382-Q389 CarbonylContact C-O 3.48Å; A382-Q389 WeakPolarHBondContact CA-O 3.26Å; A382-F390 HydrophobicContact CB-CD1 3.83Å; A382-F390 HydrophobicContact CB-CE1 4.08Å
383D90.1Very high92.4Very high42 Ų4251.1 Ų51.123%0.22527%0.266CS..  trans-138.1111.3173.9-172.4-14.8000108.8P380 N385 K386 Q389P380-D383 HydrophobicContact CG-CB 4.43Å; D383-N385 PolarHBondContact O-N 3.23Å; D383-N385 VanDerWaalsContact O-N 3.13Å; D383-N385 PolarHBondContact OD1-N 3.48Å; D383-N385 PolarHBondContact OD1-ND2 3.39Å; D383-K386 HydrophobicContact CB-CB 4.22Å; D383-K386 HydrophobicContact CB-CD 4.12Å; D383-K386 HydrophobicContact CB-CG 4.2Å; D383-K386 PolarHBondContact O-N 3.04Å; D383-K386 VanDerWaalsContact OD2-CD 3.28Å; D383-K386 WeakPolarHBondContact OD2-CD 3.5Å; D383-K386 WeakPolarHBondContact OD2-CE 3.36Å; D383-K386 WeakPolarHBondContact OD2-CG 3.43Å; D383-K386 IonicContact OD2-NZ 3.62Å; D383-Q389 PolarHBondContact N-O 3.15Å
384E85.6Confident92Very high170 Ų17052.3 Ų52.379%0.79427%0.272SS*.THydrogen-bonded Turntrans-65-15.2-177.6-64.2-173.9167.300113.4
385N88.2Confident91.5Very high151 Ų15153.7 Ų53.781%0.80728%0.277SS*.THydrogen-bonded Turntrans-97.64-178.2-51.7-71.3000112.9D383D383-N385 PolarHBondContact O-N 3.23Å; D383-N385 VanDerWaalsContact O-N 3.13Å; D383-N385 PolarHBondContact OD1-N 3.48Å; D383-N385 PolarHBondContact OD1-ND2 3.39Å
386K84.4Confident90.9Very high109 Ų10958.2 Ų58.247%0.47430%0.302SS..SBendtrans-121.1152.3-179.4-67.7-176.1-177.8171.10111.5D383 P388 Q389D383-K386 HydrophobicContact CB-CB 4.22Å; D383-K386 HydrophobicContact CB-CD 4.12Å; D383-K386 HydrophobicContact CB-CG 4.2Å; D383-K386 PolarHBondContact O-N 3.04Å; D383-K386 VanDerWaalsContact OD2-CD 3.28Å; D383-K386 WeakPolarHBondContact OD2-CD 3.5Å; D383-K386 WeakPolarHBondContact OD2-CE 3.36Å; D383-K386 WeakPolarHBondContact OD2-CG 3.43Å; D383-K386 IonicContact OD2-NZ 3.62Å; K386-P388 CarbonylContact O-C 3.56Å; K386-Q389 WeakPolarHBondContact O-CA 3.39Å; K386-Q389 PolarHBondContact O-N 3.12Å
387E82.4Confident90.5Very high172 Ų17259.8 Ų59.880%0.80431%0.31SS*.SBendtrans-118.8120.2169.1-165.3161.3-163.800106.7
388P87.8Confident90Very high33 Ų3360.6 Ų60.621%0.21431%0.314CS..SBendcis-70150.7-2.828.4-34.1000113.9K386 D393 I394 D397K386-P388 CarbonylContact O-C 3.56Å; P388-D393 HydrophobicContact CB-CB 3.76Å; P388-D393 HydrophobicContact CG-CB 4.19Å; P388-I394 HydrophobicContact CG-CB 4.2Å; P388-I394 HydrophobicContact CG-CG1 4.36Å; P388-D397 WeakPolarHBondContact CD-OD2 3.29Å
389Q90.4Very high89.5Confident81 Ų8164.4 Ų64.438%0.37933%0.331SS..SBendtrans-67.4-41.1179.3177.9-177.77.800111.8A382 D383 K386A382-Q389 CarbonylContact C-O 3.48Å; A382-Q389 WeakPolarHBondContact CA-O 3.26Å; D383-Q389 PolarHBondContact N-O 3.15Å; K386-Q389 WeakPolarHBondContact O-CA 3.39Å; K386-Q389 PolarHBondContact O-N 3.12Å
390F93.6Very high89Confident40 Ų4065.4 Ų65.418%0.17534%0.337CS..BIsolated β-bridgetrans-97134.8-176.9-60.9-73.5000110.5A348 A382 M392 D393A348-F390 HydrophobicContact CB-CD1 3.8Å; A348-F390 HydrophobicContact CB-CE1 4.06Å; A382-F390 HydrophobicContact CB-CD1 3.83Å; A382-F390 HydrophobicContact CB-CE1 4.08Å; F390-M392 HydrophobicContact CB-CE 4.01Å; F390-M392 HydrophobicContact CB-CG 3.96Å; F390-M392 HydrophobicContact CD2-CE 4.26Å; F390-M392 HydrophobicContact CG-CE 4.04Å; F390-M392 PolarHBondContact O-N 3.15Å; F390-M392 VanDerWaalsContact O-N 3.16Å; F390-D393 PolarHBondContact O-N 3.05Å
391L94.9Very high88Confident10 Ų1071.9 Ų71.95%0.05236%0.362CS..G310 helixtrans-59.5-31178.3-173.865.3000112.1L373 E374 L379 P381 D393 I394 F410L373-L391 HydrophobicContact CB-CD2 3.87Å; L373-L391 HydrophobicContact CB-CG 4.05Å; E374-L391 HydrophobicContact CB-CD2 4.27Å; E374-L391 HydrophobicContact CG-CD2 3.57Å; L379-L391 HydrophobicContact CB-CD1 4.03Å; L379-L391 HydrophobicContact CD1-CD1 4.16Å; P381-L391 PolarHBondContact O-N 3.34Å; L391-D393 PolarHBondContact O-N 3.27Å; L391-I394 HydrophobicContact CD1-CG2 4.2Å; L391-I394 WeakPolarHBondContact O-CG2 3.46Å; L391-I394 PolarHBondContact O-N 3.24Å; L391-F410 HydrophobicContact CD1-CE2 3.71Å; L391-F410 HydrophobicContact CD1-CZ 3.97Å
392M92.7Very high87.1Confident27 Ų2778.5 Ų78.513%0.13340%0.397CS..G310 helixtrans-65.8-20.5178.471.3-169.5178.600113.5F366 V370 F390 R395 L434F366-M392 HydrophobicContact CE1-SD 3.9Å; F366-M392 HydrophobicContact CZ-SD 3.94Å; V370-M392 HydrophobicContact CG2-CB 3.95Å; F390-M392 HydrophobicContact CB-CE 4.01Å; F390-M392 HydrophobicContact CB-CG 3.96Å; F390-M392 HydrophobicContact CD2-CE 4.26Å; F390-M392 HydrophobicContact CG-CE 4.04Å; F390-M392 PolarHBondContact O-N 3.15Å; F390-M392 VanDerWaalsContact O-N 3.16Å; M392-R395 PolarHBondContact O-NH1 3.13Å; M392-R395 PolarHBondContact O-NH2 3.01Å; M392-L434 HydrophobicContact CB-CD2 4.42Å
393D91.1Very high86.4Confident53 Ų5381 Ų8128%0.28340%0.402SS..G310 helixtrans-87.5-18.7-178-60-25.4000111.3P388 F390 L391 R395 D396P388-D393 HydrophobicContact CB-CB 3.76Å; P388-D393 HydrophobicContact CG-CB 4.19Å; F390-D393 PolarHBondContact O-N 3.05Å; L391-D393 PolarHBondContact O-N 3.27Å; D393-R395 PolarHBondContact O-N 2.84Å; D393-D396 PolarHBondContact O-N 3.01Å; D393-D396 VanDerWaalsContact O-N 3.1Å
394I88.9Confident85.8Confident25 Ų2586.3 Ų86.313%0.12843%0.431CS..Hα-helixtrans-64.7-14-179.6-149.4167.4000114P388 L391 D396 D397 I398 L405 F410P388-I394 HydrophobicContact CG-CB 4.2Å; P388-I394 HydrophobicContact CG-CG1 4.36Å; L391-I394 HydrophobicContact CD1-CG2 4.2Å; L391-I394 WeakPolarHBondContact O-CG2 3.46Å; L391-I394 PolarHBondContact O-N 3.24Å; I394-D396 PolarHBondContact O-N 3.3Å; I394-D397 PolarHBondContact O-N 3.32Å; I394-I398 HydrophobicContact CG2-CD1 4.14Å; I394-I398 WeakPolarHBondContact O-CG1 3.48Å; I394-I398 PolarHBondContact O-N 3.02Å; I394-I398 VanDerWaalsContact O-N 3.14Å; I394-L405 HydrophobicContact CD1-CD2 3.9Å; I394-L405 HydrophobicContact CG1-CD2 3.67Å; I394-F410 HydrophobicContact CD1-CD2 3.87Å; I394-F410 HydrophobicContact CD1-CE2 3.92Å; I394-F410 HydrophobicContact CG2-CD2 4.18Å; I394-F410 HydrophobicContact CG2-CE2 3.56Å; I394-F410 HydrophobicContact CG2-CZ 3.97Å
395R87.8Confident85.8Confident29 Ų2980.3 Ų80.311%0.10940%0.403CS..Hα-helixtrans-63.3-33.9175.383.6177.4141.8-88.9-14.3110.7M392 D393 D397 I398 D399 L434M392-R395 PolarHBondContact O-NH1 3.13Å; M392-R395 PolarHBondContact O-NH2 3.01Å; D393-R395 PolarHBondContact O-N 2.84Å; R395-D397 VanDerWaalsContact C-N 3.29Å; R395-I398 PolarHBondContact O-N 2.88Å; R395-D399 VanDerWaalsContact O-CB 3.28Å; R395-D399 WeakPolarHBondContact O-CB 3.44Å; R395-D399 VanDerWaalsContact O-CG 3.27Å; R395-D399 PolarHBondContact O-N 3.46Å; R395-L434 VanDerWaalsContact NH1-CD1 3.28Å
396D85.9Confident85.9Confident96 Ų9676 Ų7651%0.51338%0.383SS..Hα-helixtrans-67.7-40.5-174.6-64.4-11.5000108D393 I394 D399 D400D393-D396 PolarHBondContact O-N 3.01Å; D393-D396 VanDerWaalsContact O-N 3.1Å; I394-D396 PolarHBondContact O-N 3.3Å; D396-D399 PolarHBondContact O-N 2.87Å; D396-D400 VanDerWaalsContact O-CB 3.29Å; D396-D400 WeakPolarHBondContact O-CB 3.33Å; D396-D400 PolarHBondContact O-N 2.83Å
397D87.1Confident86.3Confident32 Ų3271.7 Ų71.717%0.17137%0.365CS..Hα-helixtrans-63.3-37.8172.4-55.59000113.4P388 I394 R395 E403 L405P388-D397 WeakPolarHBondContact CD-OD2 3.29Å; I394-D397 PolarHBondContact O-N 3.32Å; R395-D397 VanDerWaalsContact C-N 3.29Å; D397-E403 VanDerWaalsContact CA-OE2 3.27Å; D397-E403 WeakPolarHBondContact CA-OE2 3.5Å; D397-E403 WeakPolarHBondContact CB-OE2 3.45Å; D397-E403 VanDerWaalsContact CG-OE2 3.25Å; D397-E403 WeakPolarHBondContact O-CB 3.43Å; D397-L405 HydrophobicContact CB-CD2 4.06Å
398I87.1Confident86.7Confident22 Ų2267.6 Ų67.611%0.11335%0.346CS..Hα-helixtrans-75.8-36.3179.5-65.6165.3000111.7I394 R395 L405 L407 F410 Y427I394-I398 HydrophobicContact CG2-CD1 4.14Å; I394-I398 WeakPolarHBondContact O-CG1 3.48Å; I394-I398 PolarHBondContact O-N 3.02Å; I394-I398 VanDerWaalsContact O-N 3.14Å; R395-I398 PolarHBondContact O-N 2.88Å; I398-L405 HydrophobicContact CG1-CD2 3.77Å; I398-L405 HydrophobicContact CG1-CG 4.02Å; I398-L407 HydrophobicContact CG2-CB 4.29Å; I398-F410 HydrophobicContact CD1-CB 3.85Å; I398-F410 HydrophobicContact CD1-CD1 3.79Å; I398-F410 HydrophobicContact CD1-CD2 3.98Å; I398-F410 HydrophobicContact CD1-CE1 4.3Å; I398-F410 HydrophobicContact CD1-CE2 4.48Å; I398-F410 HydrophobicContact CD1-CG 3.6Å; I398-F410 HydrophobicContact CG1-CB 4.5Å; I398-Y427 WeakPolarHBondContact CB-OH 3.45Å; I398-Y427 HydrophobicContact CD1-CE2 3.91Å; I398-Y427 HydrophobicContact CG2-CE1 4.13Å; I398-Y427 HydrophobicContact CG2-CE2 4.21Å; I398-Y427 WeakPolarHBondContact CG2-OH 3.24Å
399D85.8Confident86.9Confident93 Ų9371.2 Ų71.250%0.49736%0.36SS..Hα-helixtrans-86.4-12.2-175.8-67.5-12.5000112.4R395 D396 Y427R395-D399 VanDerWaalsContact O-CB 3.28Å; R395-D399 WeakPolarHBondContact O-CB 3.44Å; R395-D399 VanDerWaalsContact O-CG 3.27Å; R395-D399 PolarHBondContact O-N 3.46Å; D396-D399 PolarHBondContact O-N 2.87Å; D399-Y427 VanDerWaalsContact CG-OH 3.32Å; D399-Y427 VanDerWaalsContact OD1-CE1 3.3Å; D399-Y427 WeakPolarHBondContact OD1-CE1 3.35Å; D399-Y427 PolarHBondContact OD1-OH 2.81Å
400D84.3Confident87.1Confident76 Ų7667.8 Ų67.841%0.40634%0.344SS..  trans-85.1117.2175.8-163.8-20.4000111.5D396 D402 E403D396-D400 VanDerWaalsContact O-CB 3.29Å; D396-D400 WeakPolarHBondContact O-CB 3.33Å; D396-D400 PolarHBondContact O-N 2.83Å; D400-D402 PolarHBondContact O-N 2.89Å; D400-D402 PolarHBondContact OD1-N 2.87Å; D400-E403 HydrophobicContact CB-CB 4.37Å; D400-E403 HydrophobicContact CB-CG 4.07Å; D400-E403 PolarHBondContact O-N 3.05Å; D400-E403 VanDerWaalsContact O-N 3.15Å
401E73.9Confident87.2Confident194 Ų19466.3 Ų66.391%0.90734%0.337SS*.THydrogen-bonded Turntrans-65.8-19.3179.1-64.8-178.6-179.200113.2E403E401-E403 VanDerWaalsContact C-N 3.34Å
402D75.4Confident87.2Confident158 Ų15866.2 Ų66.285%0.84534%0.337SS*.THydrogen-bonded Turntrans-85-5.8177.6-72.7-37.8000112.7D400D400-D402 PolarHBondContact O-N 2.89Å; D400-D402 PolarHBondContact OD1-N 2.87Å
403E76.8Confident87.3Confident87 Ų8776 Ų7641%0.40737%0.372SS..SBendtrans-98.5152.1177.3-69.2-151.3-170.300113.5D397 D400 E401 L405D397-E403 VanDerWaalsContact CA-OE2 3.27Å; D397-E403 WeakPolarHBondContact CA-OE2 3.5Å; D397-E403 WeakPolarHBondContact CB-OE2 3.45Å; D397-E403 VanDerWaalsContact CG-OE2 3.25Å; D397-E403 WeakPolarHBondContact O-CB 3.43Å; D400-E403 HydrophobicContact CB-CB 4.37Å; D400-E403 HydrophobicContact CB-CG 4.07Å; D400-E403 PolarHBondContact O-N 3.05Å; D400-E403 VanDerWaalsContact O-N 3.15Å; E401-E403 VanDerWaalsContact C-N 3.34Å; E403-L405 VanDerWaalsContact C-N 3.31Å; E403-L405 PolarHBondContact O-N 2.76Å
404D77.8Confident87.4Confident155 Ų15577.5 Ų77.583%0.82938%0.377SS*.SBendtrans-84-1.3-175-77.3-38.2000113.7Q409D404-Q409 PolarHBondContact O-OE1 3.11Å
405L86.4Confident87.4Confident43 Ų4376.6 Ų76.623%0.22537%0.372CS..  trans-92.4105.8-173.5-175.365.1000111.8I394 D397 I398 E403 Q409I394-L405 HydrophobicContact CD1-CD2 3.9Å; I394-L405 HydrophobicContact CG1-CD2 3.67Å; D397-L405 HydrophobicContact CB-CD2 4.06Å; I398-L405 HydrophobicContact CG1-CD2 3.77Å; I398-L405 HydrophobicContact CG1-CG 4.02Å; E403-L405 VanDerWaalsContact C-N 3.31Å; E403-L405 PolarHBondContact O-N 2.76Å; L405-Q409 HydrophobicContact CD1-CB 4Å
406T90Very high87.2Confident60 Ų6079 Ų7937%0.36839%0.39SS..  trans-87.4158.2173.784.90000112.2E408 Q409 F410T406-E408 WeakPolarHBondContact CB-OE2 3.43Å; T406-E408 PolarHBondContact O-N 2.91Å; T406-E408 PolarHBondContact OG1-N 2.87Å; T406-E408 PolarHBondContact OG1-OE2 2.89Å; T406-Q409 WeakPolarHBondContact O-CB 3.38Å; T406-Q409 PolarHBondContact O-N 3.31Å; T406-Q409 PolarHBondContact OG1-N 3.07Å; T406-F410 PolarHBondContact O-N 3.34Å; T406-F410 VanDerWaalsContact O-N 3.16Å
407L91.4Very high87.2Confident20 Ų2080.9 Ų80.911%0.10540%0.4CS..Hα-helixtrans-53.8-41.5174.8178.859.1000111.7I398 Q409 F410 L411 V423 E424 Y427I398-L407 HydrophobicContact CG2-CB 4.29Å; L407-Q409 VanDerWaalsContact C-N 3.31Å; L407-Q409 PolarHBondContact O-N 2.88Å; L407-F410 HydrophobicContact CD1-CD1 4.19Å; L407-F410 WeakPolarHBondContact O-CB 3.41Å; L407-F410 PolarHBondContact O-N 2.56Å; L407-F410 VanDerWaalsContact O-N 3.15Å; L407-L411 HydrophobicContact CD1-CD2 4.09Å; L407-L411 HydrophobicContact CG-CD2 4.38Å; L407-L411 VanDerWaalsContact O-CG 3.25Å; L407-L411 WeakPolarHBondContact O-CG 3.43Å; L407-L411 PolarHBondContact O-N 3.49Å; L407-V423 HydrophobicContact CD2-CG1 4.4Å; L407-E424 HydrophobicContact CD2-CB 4.47Å; L407-E424 HydrophobicContact CD2-CG 3.81Å; L407-Y427 HydrophobicContact CD1-CD1 4.25Å; L407-Y427 HydrophobicContact CD1-CD2 3.63Å; L407-Y427 HydrophobicContact CD1-CE2 4.22Å; L407-Y427 HydrophobicContact CD1-CG 3.66Å; L407-Y427 HydrophobicContact CD2-CD1 4.27Å; L407-Y427 HydrophobicContact CD2-CG 4.17Å
408E91.7Very high87.3Confident86 Ų8683.5 Ų83.540%0.40241%0.407SS..Hα-helixtrans-64.1-33.9178.6-60.486.6167.500113.1T406 F410 L411 W418 L420T406-E408 WeakPolarHBondContact CB-OE2 3.43Å; T406-E408 PolarHBondContact O-N 2.91Å; T406-E408 PolarHBondContact OG1-N 2.87Å; T406-E408 PolarHBondContact OG1-OE2 2.89Å; E408-F410 VanDerWaalsContact C-N 3.3Å; E408-L411 PolarHBondContact O-N 3.37Å; E408-W418 HydrophobicContact CG-CH2 4.47Å; E408-L420 HydrophobicContact CG-CD1 3.84Å; E408-L420 WeakPolarHBondContact OE1-CD1 3.33Å; E408-L420 WeakPolarHBondContact OE1-CD2 3.36Å
409Q92.1Very high87.5Confident109 Ų10988 Ų8851%0.50943%0.428SS..Hα-helixtrans-71.6-29.4176.2-65.4179.68.600111.9D404 L405 T406 L407D404-Q409 PolarHBondContact O-OE1 3.11Å; L405-Q409 HydrophobicContact CD1-CB 4Å; T406-Q409 WeakPolarHBondContact O-CB 3.38Å; T406-Q409 PolarHBondContact O-N 3.31Å; T406-Q409 PolarHBondContact OG1-N 3.07Å; L407-Q409 VanDerWaalsContact C-N 3.31Å; L407-Q409 PolarHBondContact O-N 2.88Å
410F94.1Very high87.6Confident8 Ų886.4 Ų86.44%0.03542%0.419CS..Hα-helixtrans-73.1-25.3175.7174.7-111.1000113.3L373 L376 S377 L379 L391 I394 I398 T406 L407 E408L373-F410 HydrophobicContact CB-CZ 4.2Å; L373-F410 HydrophobicContact CD2-CE1 4.12Å; L373-F410 HydrophobicContact CD2-CZ 4.25Å; L376-F410 HydrophobicContact CB-CE1 4.11Å; S377-F410 WeakPolarHBondContact CA-O 3.49Å; S377-F410 VanDerWaalsContact CB-CE2 3.48Å; S377-F410 VanDerWaalsContact CB-CZ 3.41Å; S377-F410 VanDerWaalsContact CB-O 3.22Å; S377-F410 WeakPolarHBondContact CB-O 3.19Å; L379-F410 HydrophobicContact CD1-CD2 4.45Å; L379-F410 HydrophobicContact CD1-CE2 4.18Å; L391-F410 HydrophobicContact CD1-CE2 3.71Å; L391-F410 HydrophobicContact CD1-CZ 3.97Å; I394-F410 HydrophobicContact CD1-CD2 3.87Å; I394-F410 HydrophobicContact CD1-CE2 3.92Å; I394-F410 HydrophobicContact CG2-CD2 4.18Å; I394-F410 HydrophobicContact CG2-CE2 3.56Å; I394-F410 HydrophobicContact CG2-CZ 3.97Å; I398-F410 HydrophobicContact CD1-CB 3.85Å; I398-F410 HydrophobicContact CD1-CD1 3.79Å; I398-F410 HydrophobicContact CD1-CD2 3.98Å; I398-F410 HydrophobicContact CD1-CE1 4.3Å; I398-F410 HydrophobicContact CD1-CE2 4.48Å; I398-F410 HydrophobicContact CD1-CG 3.6Å; I398-F410 HydrophobicContact CG1-CB 4.5Å; T406-F410 PolarHBondContact O-N 3.34Å; T406-F410 VanDerWaalsContact O-N 3.16Å; L407-F410 HydrophobicContact CD1-CD1 4.19Å; L407-F410 WeakPolarHBondContact O-CB 3.41Å; L407-F410 PolarHBondContact O-N 2.56Å; L407-F410 VanDerWaalsContact O-N 3.15Å; E408-F410 VanDerWaalsContact C-N 3.3Å
411L95.6Very high87.8Confident9 Ų986.1 Ų86.15%0.04742%0.423CS..SBendtrans-66.6148.2-176.5-53.7-177.9000113.2L376 L407 E408 R413 W418 V423L376-L411 HydrophobicContact CB-CD2 4.36Å; L407-L411 HydrophobicContact CD1-CD2 4.09Å; L407-L411 HydrophobicContact CG-CD2 4.38Å; L407-L411 VanDerWaalsContact O-CG 3.25Å; L407-L411 WeakPolarHBondContact O-CG 3.43Å; L407-L411 PolarHBondContact O-N 3.49Å; E408-L411 PolarHBondContact O-N 3.37Å; L411-R413 PolarHBondContact O-N 3.49Å; L411-W418 HydrophobicContact CD1-CD2 4.09Å; L411-W418 HydrophobicContact CD1-CE3 3.99Å; L411-W418 HydrophobicContact CD1-CH2 3.63Å; L411-W418 HydrophobicContact CD1-CZ2 3.72Å; L411-W418 HydrophobicContact CD1-CZ3 3.77Å; L411-V423 HydrophobicContact CD1-CB 4.32Å; L411-V423 HydrophobicContact CD1-CG1 3.58Å; L411-V423 HydrophobicContact CD1-CG2 4.16Å; L411-V423 HydrophobicContact CD2-CG1 3.22Å; L411-V423 HydrophobicContact CG-CG1 3.99Å
412D95.9Very high88.5Confident8 Ų879.2 Ų79.24%0.04339%0.391CS..  trans-63.2113.5176.1-166-13.4000110.9R282 L376 S377 K414 M415R282-D412 IonicContact CZ-OD2 2.71Å; R282-D412 IonicContact NH1-OD2 2.93Å; R282-D412 PolarHBondContact NH1-OD2 3.29Å; R282-D412 IonicContact NH2-OD2 2.74Å; R282-D412 PolarHBondContact NH2-OD2 3.29Å; L376-D412 PolarHBondContact O-N 2.99Å; S377-D412 VanDerWaalsContact C-CB 3.48Å; S377-D412 WeakPolarHBondContact O-CA 3.4Å; S377-D412 VanDerWaalsContact O-CB 3.28Å; S377-D412 WeakPolarHBondContact O-CB 3.42Å; D412-K414 PolarHBondContact O-N 2.87Å; D412-K414 VanDerWaalsContact O-N 3.09Å; D412-K414 VanDerWaalsContact OD1-CB 3.23Å; D412-K414 WeakPolarHBondContact OD1-CB 3.31Å; D412-K414 VanDerWaalsContact OD1-CG 3.31Å; D412-K414 WeakPolarHBondContact OD1-CG 3.22Å; D412-K414 PolarHBondContact OD1-N 2.84Å; D412-K414 IonicContact OD1-NZ 2.94Å; D412-K414 PolarHBondContact OD1-NZ 3.17Å; D412-K414 WeakPolarHBondContact OD2-CE 3.24Å; D412-K414 IonicContact OD2-NZ 3.72Å; D412-K414 PolarHBondContact OD2-NZ 3.31Å; D412-M415 HydrophobicContact CB-CB 4.06Å; D412-M415 VanDerWaalsContact O-CB 3.23Å; D412-M415 WeakPolarHBondContact O-CB 3.26Å; D412-M415 PolarHBondContact O-N 3.41Å
413R94.6Very high89.3Confident233 Ų23371.7 Ų71.788%0.87935%0.35SS*.THydrogen-bonded Turntrans-62.6-17.3175.5-60.9-177.6-177.8175.30.6113.5L411 M415L411-R413 PolarHBondContact O-N 3.49Å; R413-M415 VanDerWaalsContact C-N 3.31Å
414K93.6Very high90Very high85 Ų8571.8 Ų71.837%0.3735%0.351SS..THydrogen-bonded Turntrans-80.8-13.9175.3-53-179-58.5-62.30112.4P276 D412P276-K414 HydrophobicContact CB-CB 3.9Å; P276-K414 WeakPolarHBondContact CB-O 3.23Å; P276-K414 HydrophobicContact CG-CB 3.98Å; D412-K414 PolarHBondContact O-N 2.87Å; D412-K414 VanDerWaalsContact O-N 3.09Å; D412-K414 VanDerWaalsContact OD1-CB 3.23Å; D412-K414 WeakPolarHBondContact OD1-CB 3.31Å; D412-K414 VanDerWaalsContact OD1-CG 3.31Å; D412-K414 WeakPolarHBondContact OD1-CG 3.22Å; D412-K414 PolarHBondContact OD1-N 2.84Å; D412-K414 IonicContact OD1-NZ 2.94Å; D412-K414 PolarHBondContact OD1-NZ 3.17Å; D412-K414 WeakPolarHBondContact OD2-CE 3.24Å; D412-K414 IonicContact OD2-NZ 3.72Å; D412-K414 PolarHBondContact OD2-NZ 3.31Å
415M88.4Confident90.6Very high6 Ų664.8 Ų64.83%0.0331%0.314CS..  trans-84.3125.2-179.7-173.5174.175.600110.3W279 R282 D412 R413 W418 V423W279-M415 HydrophobicContact CB-CG 4.04Å; W279-M415 HydrophobicContact CB-SD 4.35Å; W279-M415 HydrophobicContact CD2-SD 4.2Å; W279-M415 HydrophobicContact CE3-CE 3.81Å; W279-M415 HydrophobicContact CE3-CG 4.43Å; W279-M415 HydrophobicContact CE3-SD 3.29Å; W279-M415 HydrophobicContact CZ3-CE 4.04Å; W279-M415 HydrophobicContact CZ3-SD 3.84Å; R282-M415 WeakPolarHBondContact CD-SD 3.26Å; D412-M415 HydrophobicContact CB-CB 4.06Å; D412-M415 VanDerWaalsContact O-CB 3.23Å; D412-M415 WeakPolarHBondContact O-CB 3.26Å; D412-M415 PolarHBondContact O-N 3.41Å; R413-M415 VanDerWaalsContact C-N 3.31Å; M415-W418 HydrophobicContact CE-CB 3.96Å; M415-W418 HydrophobicContact CE-CD2 4.43Å; M415-W418 HydrophobicContact CE-CG 3.72Å; M415-V423 HydrophobicContact CE-CG2 4.48Å
416T84.2Confident90.9Very high79 Ų7962.9 Ų62.949%0.48530%0.304SS..  trans-106.3164.3175.763.10000111W279 W418W279-T416 VanDerWaalsContact CB-O 3.28Å; W279-T416 WeakPolarHBondContact CB-O 3.42Å; W279-T416 PolarHBondContact N-O 3.32Å; T416-W418 PolarHBondContact O-N 2.87Å
417D84.9Confident91.1Very high136 Ų13660.7 Ų60.773%0.72729%0.289SS*.SBendtrans64.235.9167.7-44.2-59000114.9
418W90.4Very high91.2Very high86 Ų8663 Ų6333%0.32631%0.307SS..  trans-103152.3173.661.6-94.7000111.8W279 E408 L411 M415 T416 L420 V423W279-W418 HydrophobicContact CB-CB 4.05Å; W279-W418 HydrophobicContact CD2-CB 3.93Å; W279-W418 HydrophobicContact CG-CB 3.72Å; E408-W418 HydrophobicContact CG-CH2 4.47Å; L411-W418 HydrophobicContact CD1-CD2 4.09Å; L411-W418 HydrophobicContact CD1-CE3 3.99Å; L411-W418 HydrophobicContact CD1-CH2 3.63Å; L411-W418 HydrophobicContact CD1-CZ2 3.72Å; L411-W418 HydrophobicContact CD1-CZ3 3.77Å; M415-W418 HydrophobicContact CE-CB 3.96Å; M415-W418 HydrophobicContact CE-CD2 4.43Å; M415-W418 HydrophobicContact CE-CG 3.72Å; T416-W418 PolarHBondContact O-N 2.87Å; W418-L420 HydrophobicContact CZ3-CB 4.19Å; W418-L420 HydrophobicContact CZ3-CD1 4.2Å; W418-V423 HydrophobicContact CB-CG2 3.88Å; W418-V423 HydrophobicContact CD2-CG2 4Å; W418-V423 HydrophobicContact CE3-CG2 3.57Å; W418-V423 HydrophobicContact CG-CG2 4.16Å; W418-V423 HydrophobicContact CZ3-CG2 4.4Å
419E89.4Confident91.2Very high116 Ų11659.6 Ų59.654%0.54229%0.291SS..  trans-114.9138.6171.4-65.1-179.5167.400109.5S421 Q422 V423E419-S421 PolarHBondContact O-N 3.36Å; E419-S421 VanDerWaalsContact O-N 3.16Å; E419-Q422 HydrophobicContact CB-CG 4.12Å; E419-Q422 WeakPolarHBondContact O-CB 3.41Å; E419-Q422 PolarHBondContact O-N 2.95Å; E419-V423 WeakPolarHBondContact O-CG2 3.45Å; E419-V423 PolarHBondContact O-N 2.68Å; E419-V423 VanDerWaalsContact O-N 3.11Å
420L88.8Confident91.4Very high61 Ų6154.4 Ų54.432%0.31927%0.267SS..Hα-helixtrans-53.1-42.5-175-174.462.4000112.5E408 W418 Q422 V423 E424E408-L420 HydrophobicContact CG-CD1 3.84Å; E408-L420 WeakPolarHBondContact OE1-CD1 3.33Å; E408-L420 WeakPolarHBondContact OE1-CD2 3.36Å; W418-L420 HydrophobicContact CZ3-CB 4.19Å; W418-L420 HydrophobicContact CZ3-CD1 4.2Å; L420-Q422 VanDerWaalsContact C-N 3.28Å; L420-Q422 PolarHBondContact O-N 2.95Å; L420-V423 PolarHBondContact O-N 2.9Å; L420-V423 VanDerWaalsContact O-N 3.16Å; L420-E424 HydrophobicContact CD1-CG 4.35Å; L420-E424 HydrophobicContact CG-CG 4.25Å; L420-E424 WeakPolarHBondContact O-CB 3.4Å; L420-E424 VanDerWaalsContact O-CG 3.3Å; L420-E424 WeakPolarHBondContact O-CG 3.45Å; L420-E424 PolarHBondContact O-N 2.99Å
421S89.2Confident91.3Very high69 Ų6955.2 Ų55.248%0.48327%0.273SS..Hα-helixtrans-61.3-32.6178.966.90000114.1E419 S425E419-S421 PolarHBondContact O-N 3.36Å; E419-S421 VanDerWaalsContact O-N 3.16Å; S421-S425 PolarHBondContact O-N 3.22Å
422Q88.5Confident91.3Very high49 Ų4959.2 Ų59.223%0.22929%0.294CS..Hα-helixtrans-76.2-40.4177.5-61.8177.2-1600110.3W279 E419 L420 S425 I426W279-Q422 HydrophobicContact CZ2-CB 3.82Å; E419-Q422 HydrophobicContact CB-CG 4.12Å; E419-Q422 WeakPolarHBondContact O-CB 3.41Å; E419-Q422 PolarHBondContact O-N 2.95Å; L420-Q422 VanDerWaalsContact C-N 3.28Å; L420-Q422 PolarHBondContact O-N 2.95Å; Q422-S425 WeakPolarHBondContact O-CB 3.45Å; Q422-S425 PolarHBondContact O-N 3.3Å; Q422-I426 PolarHBondContact O-N 3.44Å
423V92.1Very high91.3Very high0 Ų058.8 Ų58.80%029%0.292CS..Hα-helixtrans-66.6-45.6177.8-179.70000110.9W279 L376 L407 L411 M415 W418 E419 L420 S425 I426 Y427W279-V423 HydrophobicContact CH2-CB 4.38Å; W279-V423 HydrophobicContact CH2-CG2 3.86Å; W279-V423 HydrophobicContact CZ2-CG2 3.93Å; W279-V423 HydrophobicContact CZ3-CG2 4.4Å; L376-V423 HydrophobicContact CD2-CG1 3.8Å; L407-V423 HydrophobicContact CD2-CG1 4.4Å; L411-V423 HydrophobicContact CD1-CB 4.32Å; L411-V423 HydrophobicContact CD1-CG1 3.58Å; L411-V423 HydrophobicContact CD1-CG2 4.16Å; L411-V423 HydrophobicContact CD2-CG1 3.22Å; L411-V423 HydrophobicContact CG-CG1 3.99Å; M415-V423 HydrophobicContact CE-CG2 4.48Å; W418-V423 HydrophobicContact CB-CG2 3.88Å; W418-V423 HydrophobicContact CD2-CG2 4Å; W418-V423 HydrophobicContact CE3-CG2 3.57Å; W418-V423 HydrophobicContact CG-CG2 4.16Å; W418-V423 HydrophobicContact CZ3-CG2 4.4Å; E419-V423 WeakPolarHBondContact O-CG2 3.45Å; E419-V423 PolarHBondContact O-N 2.68Å; E419-V423 VanDerWaalsContact O-N 3.11Å; L420-V423 PolarHBondContact O-N 2.9Å; L420-V423 VanDerWaalsContact O-N 3.16Å; V423-S425 PolarHBondContact O-N 3.19Å; V423-I426 PolarHBondContact O-N 3.21Å; V423-I426 VanDerWaalsContact O-N 3.13Å; V423-Y427 WeakPolarHBondContact O-CB 3.38Å; V423-Y427 PolarHBondContact O-N 2.96Å
424E91.9Very high91.3Very high90 Ų9047.7 Ų47.742%0.42125%0.251SS..Hα-helixtrans-55.5-39.7172.9-75.3173.3166.500111.4L407 L420 Y427 C428L407-E424 HydrophobicContact CD2-CB 4.47Å; L407-E424 HydrophobicContact CD2-CG 3.81Å; L420-E424 HydrophobicContact CD1-CG 4.35Å; L420-E424 HydrophobicContact CG-CG 4.25Å; L420-E424 WeakPolarHBondContact O-CB 3.4Å; L420-E424 VanDerWaalsContact O-CG 3.3Å; L420-E424 WeakPolarHBondContact O-CG 3.45Å; L420-E424 PolarHBondContact O-N 2.99Å; E424-Y427 PolarHBondContact O-N 2.94Å; E424-C428 WeakPolarHBondContact O-CB 3.14Å; E424-C428 PolarHBondContact O-N 2.95Å; E424-C428 PolarHBondContact O-SG 3.32Å
425S90.4Very high91.4Very high7 Ų745.7 Ų45.75%0.04924%0.244CC..Hα-helixtrans-56.1-52.4174.4-169.50000112S421 Q422 V423 L429 E451 R454S421-S425 PolarHBondContact O-N 3.22Å; Q422-S425 WeakPolarHBondContact O-CB 3.45Å; Q422-S425 PolarHBondContact O-N 3.3Å; V423-S425 PolarHBondContact O-N 3.19Å; S425-L429 WeakPolarHBondContact O-CB 3.36Å; S425-L429 PolarHBondContact O-N 3.36Å; S425-E451 PolarHBondContact OG-OE1 2.89Å; S425-E451 VanDerWaalsContact OG-OE1 3.13Å; S425-R454 PolarHBondContact OG-NH1 3.26Å
426I91.6Very high91.5Very high3 Ų351.2 Ų51.22%0.01527%0.274CS..Hα-helixtrans-69-37.1-178.5-63.4-164.9000110.7W279 L372 L376 Q422 V423 L429 A430W279-I426 HydrophobicContact CH2-CB 4.39Å; W279-I426 HydrophobicContact CH2-CD1 3.49Å; W279-I426 VanDerWaalsContact CH2-CD1 3.49Å; W279-I426 HydrophobicContact CH2-CG1 4.09Å; W279-I426 HydrophobicContact CZ2-CD1 3.93Å; W279-I426 HydrophobicContact CZ2-CG1 4.48Å; W279-I426 HydrophobicContact CZ3-CD1 4.19Å; L372-I426 HydrophobicContact CB-CG2 4.38Å; L372-I426 HydrophobicContact CD2-CG2 4.17Å; L376-I426 HydrophobicContact CD1-CG2 4.1Å; L376-I426 HydrophobicContact CD2-CB 4.08Å; L376-I426 HydrophobicContact CD2-CG2 3.87Å; L376-I426 HydrophobicContact CG-CG2 3.99Å; Q422-I426 PolarHBondContact O-N 3.44Å; V423-I426 PolarHBondContact O-N 3.21Å; V423-I426 VanDerWaalsContact O-N 3.13Å; I426-L429 WeakPolarHBondContact O-CB 3.28Å; I426-L429 PolarHBondContact O-N 3.11Å; I426-A430 WeakPolarHBondContact O-CB 3.3Å; I426-A430 PolarHBondContact O-N 3.06Å
427Y94.6Very high91.8Very high14 Ų1454.2 Ų54.26%0.05528%0.276CS..Hα-helixtrans-62.6-51.6175.3178.8-103.8000111.4L373 L376 I398 D399 L407 V423 E424 L429 A430 S431L373-Y427 HydrophobicContact CD2-CD2 4.09Å; L373-Y427 HydrophobicContact CD2-CE2 4.16Å; L376-Y427 HydrophobicContact CD1-CD2 4.24Å; I398-Y427 WeakPolarHBondContact CB-OH 3.45Å; I398-Y427 HydrophobicContact CD1-CE2 3.91Å; I398-Y427 HydrophobicContact CG2-CE1 4.13Å; I398-Y427 HydrophobicContact CG2-CE2 4.21Å; I398-Y427 WeakPolarHBondContact CG2-OH 3.24Å; D399-Y427 VanDerWaalsContact CG-OH 3.32Å; D399-Y427 VanDerWaalsContact OD1-CE1 3.3Å; D399-Y427 WeakPolarHBondContact OD1-CE1 3.35Å; D399-Y427 PolarHBondContact OD1-OH 2.81Å; L407-Y427 HydrophobicContact CD1-CD1 4.25Å; L407-Y427 HydrophobicContact CD1-CD2 3.63Å; L407-Y427 HydrophobicContact CD1-CE2 4.22Å; L407-Y427 HydrophobicContact CD1-CG 3.66Å; L407-Y427 HydrophobicContact CD2-CD1 4.27Å; L407-Y427 HydrophobicContact CD2-CG 4.17Å; V423-Y427 WeakPolarHBondContact O-CB 3.38Å; V423-Y427 PolarHBondContact O-N 2.96Å; E424-Y427 PolarHBondContact O-N 2.94Å; Y427-L429 PolarHBondContact O-N 2.92Å; Y427-A430 WeakPolarHBondContact O-CA 3.27Å; Y427-A430 WeakPolarHBondContact O-CB 3.37Å; Y427-A430 PolarHBondContact O-N 3.39Å; Y427-S431 PolarHBondContact O-N 2.85Å; Y427-S431 PolarHBondContact O-OG 2.85Å
428C92.6Very high92.2Very high70 Ų7049.6 Ų49.647%0.47325%0.249SC..Hα-helixtrans-57.1-37.9175.1-70.90000112E424 N432E424-C428 WeakPolarHBondContact O-CB 3.14Å; E424-C428 PolarHBondContact O-N 2.95Å; E424-C428 PolarHBondContact O-SG 3.32Å; C428-N432 WeakPolarHBondContact O-CB 3.47Å; C428-N432 PolarHBondContact O-N 3.07Å; C428-N432 PolarHBondContact O-ND2 3.36Å
429L92.4Very high92.1Very high14 Ų1451.8 Ų51.87%0.07327%0.268CS..Hα-helixtrans-64.8-43.6175.5-175.959.5000111.8L372 S425 I426 Y427 N432 C433 V447 E451L372-L429 HydrophobicContact CD1-CB 4.48Å; L372-L429 HydrophobicContact CD1-CD2 4.22Å; L372-L429 HydrophobicContact CD1-CG 4.03Å; S425-L429 WeakPolarHBondContact O-CB 3.36Å; S425-L429 PolarHBondContact O-N 3.36Å; I426-L429 WeakPolarHBondContact O-CB 3.28Å; I426-L429 PolarHBondContact O-N 3.11Å; Y427-L429 PolarHBondContact O-N 2.92Å; L429-N432 PolarHBondContact O-N 3.34Å; L429-C433 PolarHBondContact O-N 3.31Å; L429-C433 PolarHBondContact O-SG 3.04Å; L429-V447 HydrophobicContact CD1-CB 4.15Å; L429-V447 HydrophobicContact CD1-CG1 3.92Å; L429-V447 HydrophobicContact CD1-CG2 4Å; L429-V447 HydrophobicContact CD2-CG1 3.7Å; L429-V447 HydrophobicContact CG-CG1 4.04Å; L429-E451 HydrophobicContact CD2-CG 4.13Å
430A95.3Very high92.3Very high0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-60.5-49.5174.500000111.2L372 L373 I426 Y427 N432 C433 L434L372-A430 HydrophobicContact CB-CB 3.71Å; L372-A430 HydrophobicContact CD1-CB 4.16Å; L373-A430 HydrophobicContact CD2-CB 3.86Å; L373-A430 HydrophobicContact CG-CB 4.16Å; I426-A430 WeakPolarHBondContact O-CB 3.3Å; I426-A430 PolarHBondContact O-N 3.06Å; Y427-A430 WeakPolarHBondContact O-CA 3.27Å; Y427-A430 WeakPolarHBondContact O-CB 3.37Å; Y427-A430 PolarHBondContact O-N 3.39Å; A430-N432 VanDerWaalsContact C-N 3.33Å; A430-N432 PolarHBondContact O-N 2.73Å; A430-C433 WeakPolarHBondContact O-CA 3.46Å; A430-C433 WeakPolarHBondContact O-CB 3.49Å; A430-C433 PolarHBondContact O-N 3.13Å; A430-L434 VanDerWaalsContact O-CG 3.3Å; A430-L434 WeakPolarHBondContact O-CG 3.17Å; A430-L434 PolarHBondContact O-N 3.22Å
431S93.9Very high92.6Very high24 Ų2450.7 Ų50.717%0.16825%0.254CS..Hα-helixtrans-59.2-42.2177.7-56.20000112Y427 C433 L434 D435Y427-S431 PolarHBondContact O-N 2.85Å; Y427-S431 PolarHBondContact O-OG 2.85Å; S431-C433 VanDerWaalsContact C-N 3.34Å; S431-C433 PolarHBondContact O-N 3.01Å; S431-L434 PolarHBondContact O-N 3.31Å; S431-L434 VanDerWaalsContact O-N 3.13Å; S431-D435 PolarHBondContact O-N 3.27Å
432N94Very high92.7Very high93 Ų9348.4 Ų48.450%0.49724%0.237SC..Hα-helixtrans-63.9-36.8174.2-75.3-43.8000112.9C428 L429 A430 L434 P442C428-N432 WeakPolarHBondContact O-CB 3.47Å; C428-N432 PolarHBondContact O-N 3.07Å; C428-N432 PolarHBondContact O-ND2 3.36Å; L429-N432 PolarHBondContact O-N 3.34Å; A430-N432 VanDerWaalsContact C-N 3.33Å; A430-N432 PolarHBondContact O-N 2.73Å; N432-L434 VanDerWaalsContact C-N 3.26Å; N432-L434 PolarHBondContact O-N 2.81Å; N432-P442 HydrophobicContact CB-CG 4.48Å; N432-P442 VanDerWaalsContact O-CD 3.26Å; N432-P442 WeakPolarHBondContact O-CD 3.27Å
433C95.9Very high92.6Very high0 Ų051.7 Ų51.70%025%0.251CS..Hα-helixtrans-66.9-30.1174.7-69.80000112V365 F366 L429 A430 S431 R441V365-C433 HydrophobicContact CG1-CB 3.98Å; V365-C433 WeakPolarHBondContact O-CB 3.34Å; F366-C433 WeakPolarHBondContact CA-O 3.47Å; L429-C433 PolarHBondContact O-N 3.31Å; L429-C433 PolarHBondContact O-SG 3.04Å; A430-C433 WeakPolarHBondContact O-CA 3.46Å; A430-C433 WeakPolarHBondContact O-CB 3.49Å; A430-C433 PolarHBondContact O-N 3.13Å; S431-C433 VanDerWaalsContact C-N 3.34Å; S431-C433 PolarHBondContact O-N 3.01Å; C433-R441 WeakPolarHBondContact O-CD 3.5Å; C433-R441 WeakPolarHBondContact O-CG 3.22Å
434L95.8Very high92.4Very high0 Ų052 Ų520%025%0.253CS..THydrogen-bonded Turntrans-91.65.3-176.3-64164.8000114.6F366 V370 L373 M392 R395 A430 S431 N432 D436F366-L434 HydrophobicContact CD1-CD2 4.04Å; F366-L434 HydrophobicContact CD2-CB 4.43Å; F366-L434 HydrophobicContact CD2-CD2 3.93Å; F366-L434 HydrophobicContact CE1-CD2 3.88Å; F366-L434 HydrophobicContact CE2-CB 4.2Å; F366-L434 HydrophobicContact CE2-CD2 3.78Å; F366-L434 WeakPolarHBondContact CE2-O 3.44Å; F366-L434 HydrophobicContact CG-CD2 4.05Å; F366-L434 HydrophobicContact CZ-CD2 3.74Å; F366-L434 WeakPolarHBondContact O-CD2 3.31Å; V370-L434 HydrophobicContact CG2-CD2 3.66Å; L373-L434 HydrophobicContact CD1-CD1 3.5Å; L373-L434 VanDerWaalsContact CD1-CD1 3.5Å; L373-L434 HydrophobicContact CG-CD1 4.08Å; M392-L434 HydrophobicContact CB-CD2 4.42Å; R395-L434 VanDerWaalsContact NH1-CD1 3.28Å; A430-L434 VanDerWaalsContact O-CG 3.3Å; A430-L434 WeakPolarHBondContact O-CG 3.17Å; A430-L434 PolarHBondContact O-N 3.22Å; S431-L434 PolarHBondContact O-N 3.31Å; S431-L434 VanDerWaalsContact O-N 3.13Å; N432-L434 VanDerWaalsContact C-N 3.26Å; N432-L434 PolarHBondContact O-N 2.81Å; L434-D436 PolarHBondContact O-N 2.85Å
435D94.6Very high91.8Very high42 Ų4254.4 Ų54.423%0.22526%0.262CS..  trans-53.8126.1176.7-171.2-50.5000110.9S431 R437 R440 R441S431-D435 PolarHBondContact O-N 3.27Å; D435-R437 CarbonylContact O-C 3.54Å; D435-R437 PolarHBondContact O-N 2.76Å; D435-R437 WeakPolarHBondContact OD1-CA 3.49Å; D435-R437 VanDerWaalsContact OD1-CB 3.31Å; D435-R437 WeakPolarHBondContact OD1-CB 3.38Å; D435-R437 PolarHBondContact OD1-N 3.4Å; D435-R440 HydrophobicContact CB-CB 4.29Å; D435-R440 VanDerWaalsContact OD2-CB 3.27Å; D435-R440 WeakPolarHBondContact OD2-CB 3.37Å; D435-R440 WeakPolarHBondContact OD2-CD 3.31Å; D435-R441 HydrophobicContact CB-CG 4.16Å; D435-R441 PolarHBondContact O-NE 3.32Å; D435-R441 PolarHBondContact O-NH2 3.25Å
436D90.7Very high90.8Very high123 Ų12359 Ų5966%0.65828%0.282SS*.SBendtrans-52.3-33.5179.5-73.2-33.6000112.7L434 K438 R441L434-D436 PolarHBondContact O-N 2.85Å; D436-K438 PolarHBondContact O-N 3.07Å; D436-R441 PolarHBondContact O-NH2 3Å
437R91Very high89.6Confident141 Ų14159 Ų5953%0.53228%0.283SS..SBendtrans-84.1101.5174.5-67.3-179.7-78.7-157.6-18.8109.3D435 N439 R440D435-R437 CarbonylContact O-C 3.54Å; D435-R437 PolarHBondContact O-N 2.76Å; D435-R437 WeakPolarHBondContact OD1-CA 3.49Å; D435-R437 VanDerWaalsContact OD1-CB 3.31Å; D435-R437 WeakPolarHBondContact OD1-CB 3.38Å; D435-R437 PolarHBondContact OD1-N 3.4Å; R437-N439 PolarHBondContact O-N 2.64Å; R437-R440 HydrophobicContact CB-CB 4.33Å; R437-R440 HydrophobicContact CB-CG 4.05Å; R437-R440 VanDerWaalsContact NH1-CZ 3.33Å; R437-R440 VanDerWaalsContact NH1-NH2 3.16Å; R437-R440 WeakPolarHBondContact O-CB 3.4Å; R437-R440 PolarHBondContact O-N 3.05Å
438K92.1Very high88Confident40 Ų4060 Ų6017%0.17429%0.288CS..THydrogen-bonded Turntrans-44.2-31.8174.572.7-179-179178.60115.8T337 E353 E358 K362 D436T337-K438 PolarHBondContact OG1-NZ 3.49Å; E353-K438 HydrophobicContact CB-CD 4.33Å; E353-K438 HydrophobicContact CG-CD 3.9Å; E358-K438 IonicContact OE2-NZ 3.7Å; E358-K438 PolarHBondContact OE2-NZ 3.33Å; K362-K438 HydrophobicContact CB-CB 4.04Å; K362-K438 WeakPolarHBondContact CD-O 3.35Å; K362-K438 WeakPolarHBondContact CG-O 3.25Å; K362-K438 PolarHBondContact NZ-O 2.97Å; D436-K438 PolarHBondContact O-N 3.07Å
439N90.3Very high86.3Confident132 Ų13259.1 Ų59.171%0.70628%0.283SS*.THydrogen-bonded Turntrans-77.4-21.5-179.7-66.1-19.3000113.7R437R437-N439 PolarHBondContact O-N 2.64Å
440R92.3Very high84.4Confident151 Ų15161.4 Ų61.457%0.5730%0.297SS*.THydrogen-bonded Turntrans-83.8-26175.8-70.3-168.8167.7-156.4-3.3113.4D435 R437D435-R440 HydrophobicContact CB-CB 4.29Å; D435-R440 VanDerWaalsContact OD2-CB 3.27Å; D435-R440 WeakPolarHBondContact OD2-CB 3.37Å; D435-R440 WeakPolarHBondContact OD2-CD 3.31Å; R437-R440 HydrophobicContact CB-CB 4.33Å; R437-R440 HydrophobicContact CB-CG 4.05Å; R437-R440 VanDerWaalsContact NH1-CZ 3.33Å; R437-R440 VanDerWaalsContact NH1-NH2 3.16Å; R437-R440 WeakPolarHBondContact O-CB 3.4Å; R437-R440 PolarHBondContact O-N 3.05Å
441R94.7Very high82.3Confident3 Ų362.4 Ų62.41%0.01130%0.302CS..SBendtrans-54.4141.5174.4-58.6176.5-164.2147.611.6110.7E353 K362 V365 C433 D435 D436E353-R441 IonicContact OE1-CZ 3.86Å; E353-R441 IonicContact OE1-NH1 3.42Å; E353-R441 PolarHBondContact OE1-NH1 2.53Å; E353-R441 IonicContact OE1-NH2 3.62Å; E353-R441 IonicContact OE2-CZ 2.91Å; E353-R441 IonicContact OE2-NH1 3.79Å; E353-R441 PolarHBondContact OE2-NH1 2.55Å; E353-R441 IonicContact OE2-NH2 3.93Å; E353-R441 PolarHBondContact OE2-NH2 2.86Å; K362-R441 HydrophobicContact CD-CB 4.48Å; K362-R441 PolarHBondContact NZ-O 3.06Å; K362-R441 PolarHBondContact O-NH1 2.72Å; V365-R441 HydrophobicContact CG1-CB 4.24Å; C433-R441 WeakPolarHBondContact O-CD 3.5Å; C433-R441 WeakPolarHBondContact O-CG 3.22Å; D435-R441 HydrophobicContact CB-CG 4.16Å; D435-R441 PolarHBondContact O-NE 3.32Å; D435-R441 PolarHBondContact O-NH2 3.25Å; D436-R441 PolarHBondContact O-NH2 3Å
442P92.1Very high80.1Confident20 Ų2062.6 Ų62.613%0.1331%0.305CS..PPolyproline II helixtrans-62.2160177.427.3-34.5000111.2V365 N432 Q446 V447V365-P442 HydrophobicContact CG1-CG 4.41Å; N432-P442 HydrophobicContact CB-CG 4.48Å; N432-P442 VanDerWaalsContact O-CD 3.26Å; N432-P442 WeakPolarHBondContact O-CD 3.27Å; P442-Q446 HydrophobicContact CB-CB 4.35Å; P442-V447 HydrophobicContact CB-CG2 4.08Å; P442-V447 HydrophobicContact CG-CG2 3.75Å
443F87.3Confident77.8Confident118 Ų11865.4 Ų65.452%0.51832%0.315SS..PPolyproline II helixtrans-75.8145.6160.6-68.3-79.9000108.9K445 Q446 V447F443-K445 PolarHBondContact O-N 2.98Å; F443-K445 VanDerWaalsContact O-N 3.07Å; F443-Q446 HydrophobicContact CB-CG 4.43Å; F443-Q446 WeakPolarHBondContact O-CA 3.39Å; F443-Q446 WeakPolarHBondContact O-CB 3.27Å; F443-Q446 PolarHBondContact O-N 3.19Å; F443-V447 PolarHBondContact O-N 3.48Å
444I86.6Confident75.7Confident8 Ų872.7 Ų72.74%0.04134%0.342CS..Hα-helixtrans-57.4-29.4-178.7-164.471.5000113A290 L293 E294 H297 V365 F368 Q446 V447 Q448A290-I444 HydrophobicContact CB-CD1 4.33Å; L293-I444 HydrophobicContact CB-CD1 4.07Å; L293-I444 HydrophobicContact CB-CG1 3.77Å; L293-I444 HydrophobicContact CD1-CD1 4.02Å; E294-I444 VanDerWaalsContact CA-CG2 3.44Å; E294-I444 HydrophobicContact CB-CG2 3.77Å; E294-I444 HydrophobicContact CG-CG2 4.08Å; H297-I444 HydrophobicContact CB-CG2 4.33Å; V365-I444 HydrophobicContact CG2-CB 4.41Å; F368-I444 HydrophobicContact CD1-CD1 4.06Å; F368-I444 HydrophobicContact CE1-CD1 4.45Å; I444-Q446 VanDerWaalsContact C-N 3.29Å; I444-Q446 PolarHBondContact O-N 2.83Å; I444-V447 HydrophobicContact CD1-CB 4.29Å; I444-V447 HydrophobicContact CD1-CG1 4.35Å; I444-V447 HydrophobicContact CD1-CG2 4.32Å; I444-V447 VanDerWaalsContact O-CB 3.29Å; I444-V447 WeakPolarHBondContact O-CB 3.32Å; I444-V447 PolarHBondContact O-N 3.16Å; I444-Q448 PolarHBondContact O-N 3.25Å
445K79.2Confident73.3Confident140 Ų14076 Ų7661%0.60936%0.357SS*.Hα-helixtrans-60.1-36.2171.2-178.9167.5-172.5174.70113.5E294 F443 S449E294-K445 HydrophobicContact CG-CB 4.27Å; E294-K445 WeakPolarHBondContact OE1-CB 3.43Å; E294-K445 WeakPolarHBondContact OE1-CD 3.3Å; E294-K445 VanDerWaalsContact OE1-CG 3.24Å; E294-K445 WeakPolarHBondContact OE1-CG 3.42Å; F443-K445 PolarHBondContact O-N 2.98Å; F443-K445 VanDerWaalsContact O-N 3.07Å; K445-S449 PolarHBondContact O-N 3.11Å
446Q69.6Low70.7Confident102 Ų10280.6 Ų80.648%0.47738%0.379SS..Hα-helixtrans-73-35177.1-63.8171.7-48.400110.9P442 F443 I444 Q448 S449 V450P442-Q446 HydrophobicContact CB-CB 4.35Å; F443-Q446 HydrophobicContact CB-CG 4.43Å; F443-Q446 WeakPolarHBondContact O-CA 3.39Å; F443-Q446 WeakPolarHBondContact O-CB 3.27Å; F443-Q446 PolarHBondContact O-N 3.19Å; I444-Q446 VanDerWaalsContact C-N 3.29Å; I444-Q446 PolarHBondContact O-N 2.83Å; Q446-Q448 VanDerWaalsContact C-N 3.3Å; Q446-Q448 PolarHBondContact O-N 3.06Å; Q446-S449 PolarHBondContact O-N 2.94Å; Q446-S449 VanDerWaalsContact O-N 3.14Å; Q446-S449 PolarHBondContact O-OG 3.34Å; Q446-V450 PolarHBondContact O-N 3.11Å
447V65.9Low68.2Low3 Ų377.4 Ų77.42%0.01837%0.374CS..Hα-helixtrans-57.6-42.2175.2177.20000110.9A290 F368 L429 P442 F443 I444A290-V447 HydrophobicContact CB-CG1 4.39Å; F368-V447 HydrophobicContact CD1-CG1 4.29Å; F368-V447 HydrophobicContact CE1-CG1 3.71Å; L429-V447 HydrophobicContact CD1-CB 4.15Å; L429-V447 HydrophobicContact CD1-CG1 3.92Å; L429-V447 HydrophobicContact CD1-CG2 4Å; L429-V447 HydrophobicContact CD2-CG1 3.7Å; L429-V447 HydrophobicContact CG-CG1 4.04Å; P442-V447 HydrophobicContact CB-CG2 4.08Å; P442-V447 HydrophobicContact CG-CG2 3.75Å; F443-V447 PolarHBondContact O-N 3.48Å; I444-V447 HydrophobicContact CD1-CB 4.29Å; I444-V447 HydrophobicContact CD1-CG1 4.35Å; I444-V447 HydrophobicContact CD1-CG2 4.32Å; I444-V447 VanDerWaalsContact O-CB 3.29Å; I444-V447 WeakPolarHBondContact O-CB 3.32Å; I444-V447 PolarHBondContact O-N 3.16Å
448Q62.6Low65.7Low35 Ų3574.4 Ų74.416%0.16438%0.38CS..Hα-helixtrans-66.1-38.8175.3-66.6178.35.200113.9A290 E294 I444 Q446 V450 E451 A452A290-Q448 HydrophobicContact CB-CG 3.97Å; A290-Q448 PolarHBondContact O-NE2 3.32Å; A290-Q448 VanDerWaalsContact O-NE2 3.08Å; E294-Q448 VanDerWaalsContact CD-NE2 3.34Å; E294-Q448 VanDerWaalsContact OE2-CD 3.24Å; E294-Q448 PolarHBondContact OE2-NE2 3.4Å; E294-Q448 PolarHBondContact OE2-OE1 3.35Å; I444-Q448 PolarHBondContact O-N 3.25Å; Q446-Q448 VanDerWaalsContact C-N 3.3Å; Q446-Q448 PolarHBondContact O-N 3.06Å; Q448-V450 VanDerWaalsContact C-N 3.29Å; Q448-V450 PolarHBondContact O-N 2.94Å; Q448-E451 PolarHBondContact O-N 3.28Å; Q448-A452 WeakPolarHBondContact O-CB 3.42Å; Q448-A452 PolarHBondContact O-N 3.21Å
449S55.2Low63.1Low53 Ų5377.1 Ų77.137%0.37140%0.404SS..Hα-helixtrans-68.3-27.7-173.367.10000113.8K445 Q446 Q453K445-S449 PolarHBondContact O-N 3.11Å; Q446-S449 PolarHBondContact O-N 2.94Å; Q446-S449 VanDerWaalsContact O-N 3.14Å; Q446-S449 PolarHBondContact O-OG 3.34Å; S449-Q453 VanDerWaalsContact O-CG 3.31Å; S449-Q453 WeakPolarHBondContact O-CG 3.46Å
450V52.7Low60.4Low61 Ų6180.1 Ų80.137%0.3741%0.411SS..Hα-helixtrans-73.7-39.3179.7176.20000111.2Q446 Q448Q446-V450 PolarHBondContact O-N 3.11Å; Q448-V450 VanDerWaalsContact C-N 3.29Å; Q448-V450 PolarHBondContact O-N 2.94Å
451E51.6Low57.7Low21 Ų2183.6 Ų83.610%0.09842%0.424CS..Hα-helixtrans-81.4-40.2-179.3-72.3-60.9136.900112.6S425 L429 Q448 Q453 R454 F455S425-E451 PolarHBondContact OG-OE1 2.89Å; S425-E451 VanDerWaalsContact OG-OE1 3.13Å; L429-E451 HydrophobicContact CD2-CG 4.13Å; Q448-E451 PolarHBondContact O-N 3.28Å; E451-Q453 VanDerWaalsContact C-N 3.25Å; E451-Q453 PolarHBondContact O-N 2.81Å; E451-R454 PolarHBondContact O-N 3.07Å; E451-R454 VanDerWaalsContact O-N 3.16Å; E451-F455 PolarHBondContact O-N 2.9Å; E451-F455 WeakPolarHBondContact OE2-CD2 3.46Å; E451-F455 WeakPolarHBondContact OE2-CE2 3.43Å
452A48.8Very low55Low28 Ų2889.2 Ų89.223%0.23146%0.459CS..Hα-helixtrans-60.4-33.7178.200000112.9Q448 M456Q448-A452 WeakPolarHBondContact O-CB 3.42Å; Q448-A452 PolarHBondContact O-N 3.21Å; A452-M456 HydrophobicContact CB-CE 4.24Å; A452-M456 WeakPolarHBondContact O-CB 3.47Å; A452-M456 VanDerWaalsContact O-CE 3.24Å; A452-M456 WeakPolarHBondContact O-CE 3.33Å; A452-M456 PolarHBondContact O-N 3.02Å
453Q43.8Very low52.3Low152 Ų15298.8 Ų98.871%0.7150%0.499SS*.Hα-helixtrans-76.4-30.6178.4-71.8179.71.400113.2S449 E451S449-Q453 VanDerWaalsContact O-CG 3.31Å; S449-Q453 WeakPolarHBondContact O-CG 3.46Å; E451-Q453 VanDerWaalsContact C-N 3.25Å; E451-Q453 PolarHBondContact O-N 2.81Å
454R52.5Low49.6Very low154 Ų15496.9 Ų96.958%0.58151%0.513SS*.Hα-helixtrans-85.5-37.5-178.8-75.7-178.5167-176.6-8.3112.6S425 E451S425-R454 PolarHBondContact OG-NH1 3.26Å; E451-R454 PolarHBondContact O-N 3.07Å; E451-R454 VanDerWaalsContact O-N 3.16Å
455F45.9Very low46.9Very low70 Ų7099.6 Ų99.631%0.30754%0.543SS..Hα-helixtrans-72.9-37177.3-89.9-81000114C283 E451 G457C283-F455 HydrophobicContact CB-CE1 4.03Å; C283-F455 HydrophobicContact CB-CE2 3.77Å; C283-F455 HydrophobicContact CB-CZ 3.39Å; C283-F455 WeakPolarHBondContact SG-CZ 3.33Å; E451-F455 PolarHBondContact O-N 2.9Å; E451-F455 WeakPolarHBondContact OE2-CD2 3.46Å; E451-F455 WeakPolarHBondContact OE2-CE2 3.43Å; F455-G457 VanDerWaalsContact C-N 3.35Å
456M40.5Very low44.7Very low138 Ų13898.6 Ų98.668%0.6855%0.551SS**Hα-helixtrans-75-22.1176.8-73.4-167.2-78.900113.5A452 A458A452-M456 HydrophobicContact CB-CE 4.24Å; A452-M456 WeakPolarHBondContact O-CB 3.47Å; A452-M456 VanDerWaalsContact O-CE 3.24Å; A452-M456 WeakPolarHBondContact O-CE 3.33Å; A452-M456 PolarHBondContact O-N 3.02Å; M456-A458 VanDerWaalsContact C-N 3.34Å; M456-A458 PolarHBondContact O-N 2.69Å
457G36.8Very low43.2Very low55 Ų5598.1 Ų98.157%0.56756%0.564SS**Hα-helixtrans-71.2-2417900000114.6F455F455-G457 VanDerWaalsContact C-N 3.35Å
458A40.1Very low41.8Very low79 Ų79105.4 Ų105.465%0.65360%0.603SS**Hα-helixtrans-91.5-19.9-177.200000114.2M456M456-A458 VanDerWaalsContact C-N 3.34Å; M456-A458 PolarHBondContact O-N 2.69Å
459S36.9Very low40.7Very low97 Ų97109.1 Ų109.168%0.67863%0.628SS**SBendtrans-99.48.1-169.9-125.60000116.3
460F33.4Very low39.9Very low194 Ų194117 Ų11785%0.85165%0.652SS**SBendtrans-126.915.6-178.3-99.1-82.8000116.4
461R34.5Very low39.4Very low224 Ų224124.6 Ų124.685%0.84570%0.698SS**SBendtrans-105.642.4175.2-76.2-165.2179.8-158.12.4114.6
462T38.1Very low38.8Very low121 Ų121129.8 Ų129.874%0.74273%0.728SS**SBendtrans-157.561.6164.743.60000112.9
463F35.7Very low38.3Very low221 Ų221135.2 Ų135.297%0.96976%0.755SS**  trans-150.658.8149.8-85.5-71000109.4
464G30.3Very low38Very low79 Ų79134.2 Ų134.281%0.81476%0.757SS**  trans-97.998158.500000107.4
465G31.3Very low37.1Very low65 Ų65133.1 Ų133.167%0.6777%0.767SS**  trans-59.8150.3172.400000110.9A467G465-A467 PolarHBondContact O-N 3.12Å
466P33.3Very low36.6Very low119 Ų119137 Ų13777%0.77380%0.796SS**  trans-65.5121.6175.725.8-29.7000109.2D468P466-D468 PolarHBondContact O-N 3.11Å
467A37.3Very low36.3Very low91 Ų91136.9 Ų136.975%0.75280%0.804SS**  trans-73101.3161.900000107.5G465 T469G465-A467 PolarHBondContact O-N 3.12Å; A467-T469 PolarHBondContact O-N 3.44Å
468D37.2Very low36.3Very low156 Ų156142.8 Ų142.883%0.83482%0.821SS**  trans-81.4111.8166.3-77.8-29.8000109.4P466P466-D468 PolarHBondContact O-N 3.11Å
469T38.8Very low36Very low114 Ų114147.7 Ų147.770%0.69983%0.834SS**  trans-79.3133.6171.140.90000111.7A467A467-T469 PolarHBondContact O-N 3.44Å
470Y38.6Very low35.9Very low219 Ų219151.9 Ų151.986%0.85985%0.847SS**  trans38.7107.1144.9-69.6-88.3000119.4
471T42.3Very low36.1Very low220 Ų220148.1 Ų148.1100%1.3585%0.846SS**  -1690101.910.70000111.4

Retrieved 471 of 471 residues in 282.2 ms (Link to these results)

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