A0A087WYR5_HUMAN Loading...

Zinc finger protein 2

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WYR5, Species HUMAN (Homo sapiens, Human), Gene ZNF2, Length 438 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
1M42.1Very low38Very low252 Ų252150.5 Ų150.5100%1.24188%0.875SS**  0119.60-63.4176.5174.200105.6
2A33.7Very low38.9Very low100 Ų100154.4 Ų154.483%0.82688%0.879SS**  cis-140.9155.62700000111.4
3A35.7Very low40.2Very low99 Ų99148.5 Ų148.582%0.81885%0.853SS**  trans-85.8145.317500000110.8
4V35.8Very low41.4Very low146 Ų146144.1 Ų144.189%0.88583%0.83SS**  trans-131124.6167.3-176.90000108.4
5S36.3Very low43.1Very low105 Ų105137.7 Ų137.773%0.73479%0.794SS**  trans-73.7161.8-169-50.30000114.5
6P41.2Very low44.7Very low125 Ų125129.4 Ų129.481%0.81275%0.746SS**  trans-83.2133.3176.417.3-3.1000112T8P6-T8 PolarHBondContact O-N 3.03Å
7T37.3Very low46.1Very low146 Ų146129.3 Ų129.390%0.89674%0.737SS**  trans-68.4115178.3-310000111.3
8T36.4Very low47.3Very low131 Ų131128.4 Ų128.480%0.80473%0.729SS**  trans-67.7128.2175.3-15.10000110.7P6P6-T8 PolarHBondContact O-N 3.03Å
9R40.6Very low48.4Very low244 Ų244124.7 Ų124.792%0.92171%0.71SS**  trans-85.6111.5172.5-170.5175.5172.9-175.1-3.9108.8
10C33Very low49.7Very low119 Ų119119.7 Ų119.780%0.80468%0.684SS**PPolyproline II helixtrans-61.7137.6179.1-76.60000111.9
11Q46.4Very low50.9Low189 Ų189117.6 Ų117.688%0.88367%0.674SS**PPolyproline II helixtrans-68.5125.9160.4-74.6171.6-64.500107.7S13Q11-S13 PolarHBondContact O-N 3.18Å
12E47.9Very low52.4Low197 Ų197110.4 Ų110.492%0.92164%0.644SS**PPolyproline II helixtrans-68.2117.2168.5-78.8170.3171.200108.1
13S55.7Low54.3Low77 Ų77108.3 Ų108.354%0.53862%0.616SS.*PPolyproline II helixtrans-72.8129.4174.850.60000109.7Q11 T15Q11-S13 PolarHBondContact O-N 3.18Å; S13-T15 WeakPolarHBondContact O-CG2 3.46Å; S13-T15 PolarHBondContact O-N 3.03Å
14V57.1Low56Low88 Ų88106.8 Ų106.853%0.53360%0.596SS.*PPolyproline II helixtrans-61.2121.3169178.60000108.4D18 V19V14-D18 WeakPolarHBondContact CA-OD2 3.44Å; V14-D18 HydrophobicContact CG1-CB 4.05Å; V14-V19 HydrophobicContact CG1-CG2 4.05Å
15T67Low57.3Low48 Ų48104.6 Ų104.629%0.29458%0.58SS.*PPolyproline II helixtrans-99.4170.7-179.276.60000111.1S13 E17 D18S13-T15 WeakPolarHBondContact O-CG2 3.46Å; S13-T15 PolarHBondContact O-N 3.03Å; T15-E17 WeakPolarHBondContact CB-OE2 3.4Å; T15-E17 PolarHBondContact O-N 3.2Å; T15-E17 PolarHBondContact OG1-OE2 3.33Å; T15-D18 PolarHBondContact N-OD2 2.84Å; T15-D18 WeakPolarHBondContact O-CB 3.37Å; T15-D18 PolarHBondContact O-N 3.5Å
16F68.6Low58.8Low5 Ų5105.2 Ų105.22%0.02257%0.571CS.*G310 helixtrans-64-31.9178.3-179.3-101.5000111.4D18 V19 A20 Y47 I50 P60 I63F16-D18 PolarHBondContact O-N 3.25Å; F16-V19 CarbonylContact O-C 3.58Å; F16-V19 PolarHBondContact O-N 3.15Å; F16-V19 VanDerWaalsContact O-N 3.08Å; F16-A20 HydrophobicContact CD1-CB 3.94Å; F16-A20 HydrophobicContact CE1-CB 3.63Å; F16-A20 HydrophobicContact CZ-CB 4.07Å; F16-A20 VanDerWaalsContact O-CB 3.24Å; F16-A20 WeakPolarHBondContact O-CB 3.49Å; F16-A20 PolarHBondContact O-N 2.84Å; F16-Y47 HydrophobicContact CD2-CD2 4.12Å; F16-Y47 HydrophobicContact CE2-CD2 4.4Å; F16-I50 HydrophobicContact CB-CD1 4.41Å; F16-I50 HydrophobicContact CD2-CD1 3.9Å; F16-P60 HydrophobicContact CB-CG 3.8Å; F16-P60 HydrophobicContact CD1-CB 3.72Å; F16-P60 HydrophobicContact CD1-CG 3.49Å; F16-P60 VanDerWaalsContact CD1-CG 3.49Å; F16-P60 HydrophobicContact CD2-CG 4.42Å; F16-P60 HydrophobicContact CE1-CB 4.12Å; F16-P60 HydrophobicContact CE1-CG 4.18Å; F16-P60 HydrophobicContact CG-CB 4.38Å; F16-P60 HydrophobicContact CG-CG 3.64Å; F16-I63 HydrophobicContact CE1-CD1 4.24Å; F16-I63 HydrophobicContact CE1-CG1 3.88Å; F16-I63 HydrophobicContact CE2-CD1 3.83Å; F16-I63 HydrophobicContact CE2-CG1 3.89Å; F16-I63 HydrophobicContact CZ-CD1 3.42Å; F16-I63 VanDerWaalsContact CZ-CD1 3.42Å; F16-I63 HydrophobicContact CZ-CG1 3.49Å; F16-I63 VanDerWaalsContact CZ-CG1 3.49Å
17E69.2Low60.2Low127 Ų127103.7 Ų103.759%0.59355%0.553SS**G310 helixtrans-60.4-28.8176.6-62.971.3-155.200112.5T15 V19T15-E17 WeakPolarHBondContact CB-OE2 3.4Å; T15-E17 PolarHBondContact O-N 3.2Å; T15-E17 PolarHBondContact OG1-OE2 3.33Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 PolarHBondContact O-N 3.05Å
18D68.3Low62Low113 Ų11397.5 Ų97.560%0.60451%0.514SS*.G310 helixtrans-73.3-19.7177.8-63.3-38.9000113.1V14 T15 F16V14-D18 WeakPolarHBondContact CA-OD2 3.44Å; V14-D18 HydrophobicContact CG1-CB 4.05Å; T15-D18 PolarHBondContact N-OD2 2.84Å; T15-D18 WeakPolarHBondContact O-CB 3.37Å; T15-D18 PolarHBondContact O-N 3.5Å; F16-D18 PolarHBondContact O-N 3.25Å
19V67.9Low63.6Low58 Ų5894.7 Ų94.735%0.35250%0.499SS..THydrogen-bonded Turntrans-120.6-10.2-173.3-158.80000111.9V14 F16 E17 N46 I50V14-V19 HydrophobicContact CG1-CG2 4.05Å; F16-V19 CarbonylContact O-C 3.58Å; F16-V19 PolarHBondContact O-N 3.15Å; F16-V19 VanDerWaalsContact O-N 3.08Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 PolarHBondContact O-N 3.05Å; V19-N46 HydrophobicContact CG1-CB 4.36Å; V19-N46 PolarHBondContact O-ND2 3.32Å; V19-I50 HydrophobicContact CB-CD1 4.26Å; V19-I50 HydrophobicContact CG2-CD1 4.05Å
20A74.5Confident65.2Low24 Ų2492.5 Ų92.520%0.19849%0.491CS..  trans-76.3131.6176.200000110.4F16F16-A20 HydrophobicContact CD1-CB 3.94Å; F16-A20 HydrophobicContact CE1-CB 3.63Å; F16-A20 HydrophobicContact CZ-CB 4.07Å; F16-A20 VanDerWaalsContact O-CB 3.24Å; F16-A20 WeakPolarHBondContact O-CB 3.49Å; F16-A20 PolarHBondContact O-N 2.84Å
21V74.9Confident66.9Low77 Ų7788.1 Ų88.147%0.46746%0.459SS..  trans-94.8122.3166.2179.80000106.5F23 Y39 M43V21-F23 HydrophobicContact CG1-CE2 4.42Å; V21-F23 HydrophobicContact CG1-CZ 4.4Å; V21-Y39 HydrophobicContact CB-CE2 4.43Å; V21-Y39 WeakPolarHBondContact O-CE2 3.42Å; V21-Y39 VanDerWaalsContact O-CZ 3.3Å; V21-Y39 PolarHBondContact O-OH 3.34Å; V21-M43 HydrophobicContact CB-CE 3.65Å; V21-M43 HydrophobicContact CG2-CE 3.9Å
22V74.1Confident68Low101 Ų10182 Ų8261%0.61243%0.434SS*.  trans-106.1139.1177.6-172.10000108.2W73V22-W73 HydrophobicContact CG1-CZ3 4.26Å
23F72.5Confident69Low55 Ų5576.5 Ų76.524%0.24142%0.416CS..  trans-109.4147.9175.8-74.3-72.4000109.9V21 E27 W28 L31 Y39 W73V21-F23 HydrophobicContact CG1-CE2 4.42Å; V21-F23 HydrophobicContact CG1-CZ 4.4Å; F23-E27 HydrophobicContact CB-CB 4.26Å; F23-E27 HydrophobicContact CD1-CB 3.87Å; F23-W28 HydrophobicContact CB-CB 4.3Å; F23-W28 HydrophobicContact CB-CE3 4.21Å; F23-W28 AromaticContact CD2-CE3 3.79Å; F23-W28 HydrophobicContact CD2-CE3 3.79Å; F23-W28 HydrophobicContact CD2-CZ3 4.02Å; F23-W28 HydrophobicContact CG-CE3 4.27Å; F23-L31 HydrophobicContact CD2-CD1 4.08Å; F23-L31 HydrophobicContact CE1-CD1 4.44Å; F23-L31 HydrophobicContact CE2-CD1 3.85Å; F23-L31 HydrophobicContact CG-CD1 4.46Å; F23-L31 HydrophobicContact CZ-CD1 4.04Å; F23-Y39 AromaticContact CD2-CD2 3.93Å; F23-Y39 HydrophobicContact CD2-CD2 3.93Å; F23-Y39 AromaticContact CD2-CE2 3.64Å; F23-Y39 HydrophobicContact CD2-CE2 3.64Å; F23-Y39 AromaticContact CE2-CD2 3.42Å; F23-Y39 HydrophobicContact CE2-CD2 3.42Å; F23-Y39 VanDerWaalsContact CE2-CD2 3.42Å; F23-Y39 AromaticContact CE2-CE2 3.53Å; F23-Y39 HydrophobicContact CE2-CE2 3.53Å; F23-Y39 HydrophobicContact CE2-CG 4.19Å; F23-W73 HydrophobicContact CB-CH2 4.44Å
24T71.4Confident69.2Low67 Ų6775 Ų7541%0.41140%0.402SS..  trans-75.2167164.482.70000111E26 E27 W28T24-E26 VanDerWaalsContact C-N 3.31Å; T24-E26 WeakPolarHBondContact CB-OE2 3.18Å; T24-E26 PolarHBondContact O-N 3.38Å; T24-E26 PolarHBondContact OG1-OE2 3.02Å; T24-E27 PolarHBondContact N-OE2 3.47Å; T24-E27 VanDerWaalsContact N-OE2 3.1Å; T24-E27 PolarHBondContact O-N 3.4Å; T24-E27 VanDerWaalsContact O-N 3.15Å; T24-E27 WeakPolarHBondContact OG1-CG 3.26Å; T24-E27 PolarHBondContact OG1-N 3.04Å; T24-W28 WeakPolarHBondContact O-CB 3.28Å; T24-W28 PolarHBondContact O-N 3.1Å
25D63.6Low69.6Low101 Ų10172.4 Ų72.454%0.5438%0.384SS..Hα-helixtrans-62.3-38.7178.9-172.159.8000112.2E27 W28 S29D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 3.35Å; D25-W28 PolarHBondContact O-N 2.85Å; D25-S29 VanDerWaalsContact O-CB 3.3Å; D25-S29 WeakPolarHBondContact O-CB 3.44Å; D25-S29 PolarHBondContact O-N 3.37Å; D25-S29 PolarHBondContact O-OG 3.48Å
26E66.3Low70.1Confident117 Ų11773.8 Ų73.855%0.54738%0.383SS..Hα-helixtrans-67.2-31.8175.4-57.477.7-16900112.2T24 S29 R30T24-E26 VanDerWaalsContact C-N 3.31Å; T24-E26 WeakPolarHBondContact CB-OE2 3.18Å; T24-E26 PolarHBondContact O-N 3.38Å; T24-E26 PolarHBondContact OG1-OE2 3.02Å; E26-S29 WeakPolarHBondContact CA-OG 3.5Å; E26-S29 PolarHBondContact O-OG 2.93Å; E26-R30 WeakPolarHBondContact O-CD 3.22Å; E26-R30 WeakPolarHBondContact O-CG 3.35Å; E26-R30 PolarHBondContact O-NE 2.82Å
27E71.3Confident70.2Confident93 Ų9377.2 Ų77.244%0.43540%0.402SS..Hα-helixtrans-78.3-39176.6-67.2178.214500111.7F23 T24 D25 R30F23-E27 HydrophobicContact CB-CB 4.26Å; F23-E27 HydrophobicContact CD1-CB 3.87Å; T24-E27 PolarHBondContact N-OE2 3.47Å; T24-E27 VanDerWaalsContact N-OE2 3.1Å; T24-E27 PolarHBondContact O-N 3.4Å; T24-E27 VanDerWaalsContact O-N 3.15Å; T24-E27 WeakPolarHBondContact OG1-CG 3.26Å; T24-E27 PolarHBondContact OG1-N 3.04Å; D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 3.35Å; E27-R30 WeakPolarHBondContact O-CB 3.42Å; E27-R30 PolarHBondContact O-N 3.4Å
28W75.4Confident70.5Confident17 Ų1774.6 Ų74.66%0.06439%0.392CS..Hα-helixtrans-70.1-38.3179.1-174.7-100000112.9F23 T24 D25 R30 L31 R36 Y39 P72 W73F23-W28 HydrophobicContact CB-CB 4.3Å; F23-W28 HydrophobicContact CB-CE3 4.21Å; F23-W28 AromaticContact CD2-CE3 3.79Å; F23-W28 HydrophobicContact CD2-CE3 3.79Å; F23-W28 HydrophobicContact CD2-CZ3 4.02Å; F23-W28 HydrophobicContact CG-CE3 4.27Å; T24-W28 WeakPolarHBondContact O-CB 3.28Å; T24-W28 PolarHBondContact O-N 3.1Å; D25-W28 PolarHBondContact O-N 2.85Å; W28-R30 PolarHBondContact O-N 2.8Å; W28-L31 HydrophobicContact CD2-CD1 4.32Å; W28-L31 HydrophobicContact CE3-CD1 3.62Å; W28-L31 HydrophobicContact CZ3-CD1 3.89Å; W28-L31 WeakPolarHBondContact O-CB 3.46Å; W28-L31 PolarHBondContact O-N 3.19Å; W28-R36 HydrophobicContact CH2-CB 3.95Å; W28-R36 HydrophobicContact CH2-CG 4.04Å; W28-R36 HydrophobicContact CZ2-CB 3.83Å; W28-R36 HydrophobicContact CZ2-CG 3.71Å; W28-R36 PolarHBondContact O-NE 3.47Å; W28-R36 PolarHBondContact O-NH2 3.4Å; W28-R36 VanDerWaalsContact O-NH2 3.1Å; W28-Y39 AromaticContact CH2-CD1 3.39Å; W28-Y39 HydrophobicContact CH2-CD1 3.39Å; W28-Y39 AromaticContact CH2-CE1 3.89Å; W28-Y39 HydrophobicContact CH2-CE1 3.89Å; W28-Y39 HydrophobicContact CH2-CG 4.06Å; W28-Y39 AromaticContact CZ3-CD1 3.27Å; W28-Y39 HydrophobicContact CZ3-CD1 3.27Å; W28-Y39 HydrophobicContact CZ3-CD2 4.36Å; W28-Y39 AromaticContact CZ3-CE1 3.58Å; W28-Y39 HydrophobicContact CZ3-CE1 3.58Å; W28-Y39 AromaticContact CZ3-CG 3.66Å; W28-Y39 HydrophobicContact CZ3-CG 3.66Å; W28-P72 HydrophobicContact CZ2-CG 4.34Å; W28-W73 HydrophobicContact CB-CZ2 4.24Å; W28-W73 HydrophobicContact CD2-CZ2 4.06Å; W28-W73 HydrophobicContact CE3-CZ2 4.17Å; W28-W73 HydrophobicContact CG-CZ2 4.09Å
29S70.4Confident71Confident71 Ų7169.9 Ų69.950%0.49737%0.366SS..Hα-helixtrans-63.3-28.6174.655.20000112.3D25 E26 L31 R36D25-S29 VanDerWaalsContact O-CB 3.3Å; D25-S29 WeakPolarHBondContact O-CB 3.44Å; D25-S29 PolarHBondContact O-N 3.37Å; D25-S29 PolarHBondContact O-OG 3.48Å; E26-S29 WeakPolarHBondContact CA-OG 3.5Å; E26-S29 PolarHBondContact O-OG 2.93Å; S29-L31 VanDerWaalsContact C-N 3.32Å; S29-R36 PolarHBondContact O-NH2 3.44Å
30R73.8Confident71.4Confident198 Ų19869.6 Ų69.675%0.74736%0.359SS*.THydrogen-bonded Turntrans-77.5-11.4173.8-68.1169.2-176.1-1741.3114.2E26 E27 W28E26-R30 WeakPolarHBondContact O-CD 3.22Å; E26-R30 WeakPolarHBondContact O-CG 3.35Å; E26-R30 PolarHBondContact O-NE 2.82Å; E27-R30 WeakPolarHBondContact O-CB 3.42Å; E27-R30 PolarHBondContact O-N 3.4Å; W28-R30 PolarHBondContact O-N 2.8Å
31L68.8Low71.2Confident28 Ų2871 Ų7115%0.14736%0.362CS..SBendtrans-80.5129.9175.7-60.6-179.3000111F23 W28 S29 Q35 R36F23-L31 HydrophobicContact CD2-CD1 4.08Å; F23-L31 HydrophobicContact CE1-CD1 4.44Å; F23-L31 HydrophobicContact CE2-CD1 3.85Å; F23-L31 HydrophobicContact CG-CD1 4.46Å; F23-L31 HydrophobicContact CZ-CD1 4.04Å; W28-L31 HydrophobicContact CD2-CD1 4.32Å; W28-L31 HydrophobicContact CE3-CD1 3.62Å; W28-L31 HydrophobicContact CZ3-CD1 3.89Å; W28-L31 WeakPolarHBondContact O-CB 3.46Å; W28-L31 PolarHBondContact O-N 3.19Å; S29-L31 VanDerWaalsContact C-N 3.32Å; L31-Q35 HydrophobicContact CB-CB 4.09Å; L31-Q35 HydrophobicContact CD2-CB 4.21Å; L31-R36 HydrophobicContact CB-CG 3.81Å; L31-R36 PolarHBondContact O-NE 2.99Å; L31-R36 PolarHBondContact O-NH2 3.23Å
32V69.3Low71.3Confident59 Ų5970 Ų7036%0.35836%0.356SS..  trans-73.2158.4172.6-61.20000110.8I34 Q35 R36 P241V32-I34 VanDerWaalsContact C-N 3.26Å; V32-I34 PolarHBondContact O-N 2.86Å; V32-I34 VanDerWaalsContact O-N 3.09Å; V32-Q35 HydrophobicContact CG2-CB 4.21Å; V32-Q35 HydrophobicContact CG2-CG 3.73Å; V32-Q35 WeakPolarHBondContact O-CA 3.34Å; V32-Q35 WeakPolarHBondContact O-CB 3.36Å; V32-Q35 PolarHBondContact O-N 3.21Å; V32-R36 PolarHBondContact O-N 3.43Å; V32-R36 VanDerWaalsContact O-N 3.14Å; V32-P241 HydrophobicContact CG2-CB 4.37Å; V32-P241 HydrophobicContact CG2-CG 4.42Å
33P69.2Low71.6Confident83 Ų8365.4 Ų65.454%0.53933%0.328SS..Hα-helixtrans-48.9-43.4-173.9-31.136.9000114.4Q35 R36 D37P33-Q35 VanDerWaalsContact C-N 3.32Å; P33-Q35 PolarHBondContact O-N 3.12Å; P33-R36 WeakPolarHBondContact O-CB 3.41Å; P33-R36 PolarHBondContact O-N 3.47Å; P33-R36 VanDerWaalsContact O-N 3.13Å; P33-D37 PolarHBondContact O-N 3.44Å
34I58.9Low71.8Confident45 Ų4564.9 Ų64.923%0.23133%0.327CS..Hα-helixtrans-70-28.7-179-53.5167.7000112.4V32 D37 L38 M234V32-I34 VanDerWaalsContact C-N 3.26Å; V32-I34 PolarHBondContact O-N 2.86Å; V32-I34 VanDerWaalsContact O-N 3.09Å; I34-D37 PolarHBondContact O-N 2.75Å; I34-L38 WeakPolarHBondContact O-CB 3.23Å; I34-L38 PolarHBondContact O-N 3.21Å; I34-M234 HydrophobicContact CB-CE 3.67Å; I34-M234 HydrophobicContact CD1-CE 3.56Å; I34-M234 HydrophobicContact CD1-SD 3.45Å; I34-M234 WeakPolarHBondContact CD1-SD 3.41Å; I34-M234 HydrophobicContact CG1-CE 4.2Å; I34-M234 HydrophobicContact CG2-CE 3.22Å; I34-M234 HydrophobicContact CG2-SD 4.43Å
35Q67.3Low72Confident34 Ų3466.8 Ų66.816%0.15933%0.331CS..Hα-helixtrans-71-36.3172.5-72.6175-36.200111.5L31 V32 P33 D37 L38 Y39 P241 Y242L31-Q35 HydrophobicContact CB-CB 4.09Å; L31-Q35 HydrophobicContact CD2-CB 4.21Å; V32-Q35 HydrophobicContact CG2-CB 4.21Å; V32-Q35 HydrophobicContact CG2-CG 3.73Å; V32-Q35 WeakPolarHBondContact O-CA 3.34Å; V32-Q35 WeakPolarHBondContact O-CB 3.36Å; V32-Q35 PolarHBondContact O-N 3.21Å; P33-Q35 VanDerWaalsContact C-N 3.32Å; P33-Q35 PolarHBondContact O-N 3.12Å; Q35-D37 VanDerWaalsContact C-N 3.31Å; Q35-L38 PolarHBondContact O-N 3.12Å; Q35-Y39 WeakPolarHBondContact O-CB 3.24Å; Q35-Y39 PolarHBondContact O-N 3.3Å; Q35-P241 HydrophobicContact CG-CB 4.43Å; Q35-P241 HydrophobicContact CG-CG 4.49Å; Q35-Y242 PolarHBondContact NE2-OH 3.5Å
36R77Confident72.4Confident76 Ų7663.9 Ų63.929%0.28732%0.316SS..Hα-helixtrans-66.4-37.6174.1-61.7179.5-177.8154.26.3111W28 S29 L31 V32 P33 Y39 K40W28-R36 HydrophobicContact CH2-CB 3.95Å; W28-R36 HydrophobicContact CH2-CG 4.04Å; W28-R36 HydrophobicContact CZ2-CB 3.83Å; W28-R36 HydrophobicContact CZ2-CG 3.71Å; W28-R36 PolarHBondContact O-NE 3.47Å; W28-R36 PolarHBondContact O-NH2 3.4Å; W28-R36 VanDerWaalsContact O-NH2 3.1Å; S29-R36 PolarHBondContact O-NH2 3.44Å; L31-R36 HydrophobicContact CB-CG 3.81Å; L31-R36 PolarHBondContact O-NE 2.99Å; L31-R36 PolarHBondContact O-NH2 3.23Å; V32-R36 PolarHBondContact O-N 3.43Å; V32-R36 VanDerWaalsContact O-N 3.14Å; P33-R36 WeakPolarHBondContact O-CB 3.41Å; P33-R36 PolarHBondContact O-N 3.47Å; P33-R36 VanDerWaalsContact O-N 3.13Å; R36-Y39 PolarHBondContact O-N 3.21Å; R36-K40 VanDerWaalsContact O-CG 3.31Å; R36-K40 WeakPolarHBondContact O-CG 3.35Å; R36-K40 PolarHBondContact O-N 3.37Å
37D70.7Confident72.9Confident77 Ų7759.3 Ų59.341%0.41229%0.294SS..Hα-helixtrans-67.8-43.3174.5-66.5-21.6000111.6P33 I34 Q35 Y39 K40 E41P33-D37 PolarHBondContact O-N 3.44Å; I34-D37 PolarHBondContact O-N 2.75Å; Q35-D37 VanDerWaalsContact C-N 3.31Å; D37-Y39 VanDerWaalsContact C-N 3.32Å; D37-Y39 PolarHBondContact O-N 2.93Å; D37-K40 WeakPolarHBondContact O-CB 3.39Å; D37-K40 PolarHBondContact O-N 3.27Å; D37-E41 VanDerWaalsContact O-CG 3.29Å; D37-E41 WeakPolarHBondContact O-CG 3.39Å; D37-E41 PolarHBondContact O-N 2.8Å
38L74.2Confident73Confident72 Ų7259 Ų5938%0.37730%0.295SS..Hα-helixtrans-60.6-41.9173.3-179.463.1000111.8I34 Q35 E41 V42I34-L38 WeakPolarHBondContact O-CB 3.23Å; I34-L38 PolarHBondContact O-N 3.21Å; Q35-L38 PolarHBondContact O-N 3.12Å; L38-E41 PolarHBondContact O-N 2.97Å; L38-V42 HydrophobicContact CD1-CG2 4.08Å; L38-V42 HydrophobicContact CG-CG2 4.36Å; L38-V42 WeakPolarHBondContact O-CB 3.47Å; L38-V42 VanDerWaalsContact O-CG2 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.47Å; L38-V42 PolarHBondContact O-N 3.19Å
39Y80.1Confident72.9Confident15 Ų1560.5 Ų60.56%0.05931%0.308CS..Hα-helixtrans-60.5-48.5175.6173.5-96.7000111.9V21 F23 W28 Q35 R36 D37 E41 V42 M43 L66V21-Y39 HydrophobicContact CB-CE2 4.43Å; V21-Y39 WeakPolarHBondContact O-CE2 3.42Å; V21-Y39 VanDerWaalsContact O-CZ 3.3Å; V21-Y39 PolarHBondContact O-OH 3.34Å; F23-Y39 AromaticContact CD2-CD2 3.93Å; F23-Y39 HydrophobicContact CD2-CD2 3.93Å; F23-Y39 AromaticContact CD2-CE2 3.64Å; F23-Y39 HydrophobicContact CD2-CE2 3.64Å; F23-Y39 AromaticContact CE2-CD2 3.42Å; F23-Y39 HydrophobicContact CE2-CD2 3.42Å; F23-Y39 VanDerWaalsContact CE2-CD2 3.42Å; F23-Y39 AromaticContact CE2-CE2 3.53Å; F23-Y39 HydrophobicContact CE2-CE2 3.53Å; F23-Y39 HydrophobicContact CE2-CG 4.19Å; W28-Y39 AromaticContact CH2-CD1 3.39Å; W28-Y39 HydrophobicContact CH2-CD1 3.39Å; W28-Y39 AromaticContact CH2-CE1 3.89Å; W28-Y39 HydrophobicContact CH2-CE1 3.89Å; W28-Y39 HydrophobicContact CH2-CG 4.06Å; W28-Y39 AromaticContact CZ3-CD1 3.27Å; W28-Y39 HydrophobicContact CZ3-CD1 3.27Å; W28-Y39 HydrophobicContact CZ3-CD2 4.36Å; W28-Y39 AromaticContact CZ3-CE1 3.58Å; W28-Y39 HydrophobicContact CZ3-CE1 3.58Å; W28-Y39 AromaticContact CZ3-CG 3.66Å; W28-Y39 HydrophobicContact CZ3-CG 3.66Å; Q35-Y39 WeakPolarHBondContact O-CB 3.24Å; Q35-Y39 PolarHBondContact O-N 3.3Å; R36-Y39 PolarHBondContact O-N 3.21Å; D37-Y39 VanDerWaalsContact C-N 3.32Å; D37-Y39 PolarHBondContact O-N 2.93Å; Y39-E41 VanDerWaalsContact C-N 3.28Å; Y39-E41 PolarHBondContact O-N 2.86Å; Y39-V42 PolarHBondContact O-N 2.98Å; Y39-M43 HydrophobicContact CD1-CG 4.22Å; Y39-M43 HydrophobicContact CD2-CE 4.06Å; Y39-M43 HydrophobicContact CD2-CG 3.98Å; Y39-M43 HydrophobicContact CE1-CG 3.92Å; Y39-M43 HydrophobicContact CE2-CE 3.78Å; Y39-M43 HydrophobicContact CE2-CG 3.66Å; Y39-M43 HydrophobicContact CE2-SD 4.1Å; Y39-M43 HydrophobicContact CG-CG 4.31Å; Y39-M43 WeakPolarHBondContact O-CB 3.34Å; Y39-M43 VanDerWaalsContact O-CG 3.31Å; Y39-M43 WeakPolarHBondContact O-CG 3.2Å; Y39-M43 PolarHBondContact O-N 3.19Å; Y39-L66 HydrophobicContact CD1-CD2 4.15Å; Y39-L66 HydrophobicContact CE1-CD1 4.24Å; Y39-L66 HydrophobicContact CE1-CD2 4.04Å
40K75.1Confident72.8Confident51 Ų5157.8 Ų57.822%0.22229%0.288CS..Hα-helixtrans-53.1-48.7174.5-77.6165.1177.8-174.70110.9R36 D37 L44 L66R36-K40 VanDerWaalsContact O-CG 3.31Å; R36-K40 WeakPolarHBondContact O-CG 3.35Å; R36-K40 PolarHBondContact O-N 3.37Å; D37-K40 WeakPolarHBondContact O-CB 3.39Å; D37-K40 PolarHBondContact O-N 3.27Å; K40-L44 WeakPolarHBondContact O-CB 3.46Å; K40-L44 WeakPolarHBondContact O-CD1 3.41Å; K40-L44 WeakPolarHBondContact O-CG 3.37Å; K40-L44 PolarHBondContact O-N 3.46Å; K40-L66 HydrophobicContact CB-CD2 4.28Å; K40-L66 HydrophobicContact CD-CD2 4.44Å; K40-L66 HydrophobicContact CG-CB 4.42Å; K40-L66 HydrophobicContact CG-CD2 3.36Å; K40-L66 HydrophobicContact CG-CG 4.38Å
41E71.9Confident72.5Confident55 Ų5551.4 Ų51.426%0.25727%0.271SS..Hα-helixtrans-63.7-45.6-178.8-71.4178.2-178.800112.7D37 L38 Y39 L44 E45 R226D37-E41 VanDerWaalsContact O-CG 3.29Å; D37-E41 WeakPolarHBondContact O-CG 3.39Å; D37-E41 PolarHBondContact O-N 2.8Å; L38-E41 PolarHBondContact O-N 2.97Å; Y39-E41 VanDerWaalsContact C-N 3.28Å; Y39-E41 PolarHBondContact O-N 2.86Å; E41-L44 PolarHBondContact O-N 3.45Å; E41-E45 WeakPolarHBondContact O-CB 3.46Å; E41-E45 PolarHBondContact O-N 2.84Å; E41-R226 IonicContact OE1-CZ 3.07Å; E41-R226 IonicContact OE1-NE 3.05Å; E41-R226 PolarHBondContact OE1-NE 3.18Å; E41-R226 VanDerWaalsContact OE1-NE 3.08Å; E41-R226 IonicContact OE1-NH2 3.71Å; E41-R226 PolarHBondContact OE1-NH2 3.29Å; E41-R226 VanDerWaalsContact OE2-CD 3.24Å; E41-R226 WeakPolarHBondContact OE2-CD 3.22Å; E41-R226 IonicContact OE2-CZ 3.93Å; E41-R226 IonicContact OE2-NE 3.34Å; E41-R226 PolarHBondContact OE2-NE 3.13Å; E41-R226 IonicContact OE2-NH2 3.54Å
42V75.8Confident72.4Confident55 Ų5554.9 Ų54.933%0.33330%0.298SS..Hα-helixtrans-67.5-43-179.4172.20000111.3L38 Y39 L44 E45 N46L38-V42 HydrophobicContact CD1-CG2 4.08Å; L38-V42 HydrophobicContact CG-CG2 4.36Å; L38-V42 WeakPolarHBondContact O-CB 3.47Å; L38-V42 VanDerWaalsContact O-CG2 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.47Å; L38-V42 PolarHBondContact O-N 3.19Å; Y39-V42 PolarHBondContact O-N 2.98Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.19Å; V42-E45 PolarHBondContact O-N 2.95Å; V42-N46 WeakPolarHBondContact O-CB 3.34Å; V42-N46 VanDerWaalsContact O-CG 3.25Å; V42-N46 PolarHBondContact O-N 3.37Å; V42-N46 PolarHBondContact O-OD1 3.49Å
43M81.3Confident72.4Confident5 Ų558.6 Ų58.63%0.02532%0.315CS..Hα-helixtrans-65-37.6177.9-67.6-58.5128.400111.6V21 Y39 N46 Y47 I63 L66V21-M43 HydrophobicContact CB-CE 3.65Å; V21-M43 HydrophobicContact CG2-CE 3.9Å; Y39-M43 HydrophobicContact CD1-CG 4.22Å; Y39-M43 HydrophobicContact CD2-CE 4.06Å; Y39-M43 HydrophobicContact CD2-CG 3.98Å; Y39-M43 HydrophobicContact CE1-CG 3.92Å; Y39-M43 HydrophobicContact CE2-CE 3.78Å; Y39-M43 HydrophobicContact CE2-CG 3.66Å; Y39-M43 HydrophobicContact CE2-SD 4.1Å; Y39-M43 HydrophobicContact CG-CG 4.31Å; Y39-M43 WeakPolarHBondContact O-CB 3.34Å; Y39-M43 VanDerWaalsContact O-CG 3.31Å; Y39-M43 WeakPolarHBondContact O-CG 3.2Å; Y39-M43 PolarHBondContact O-N 3.19Å; M43-N46 PolarHBondContact O-N 3.01Å; M43-Y47 WeakPolarHBondContact O-CB 3.25Å; M43-Y47 PolarHBondContact O-N 3.01Å; M43-I63 HydrophobicContact CB-CD1 4.15Å; M43-I63 WeakPolarHBondContact O-CD1 3.23Å; M43-L66 HydrophobicContact CB-CD1 3.8Å; M43-L66 HydrophobicContact CG-CD1 4.36Å
44L75.3Confident71.6Confident43 Ų4357.8 Ų57.823%0.22532%0.321CS..Hα-helixtrans-67.5-39173.8-71.7169000112.4K40 E41 V42 Y47 N48 I63 K67K40-L44 WeakPolarHBondContact O-CB 3.46Å; K40-L44 WeakPolarHBondContact O-CD1 3.41Å; K40-L44 WeakPolarHBondContact O-CG 3.37Å; K40-L44 PolarHBondContact O-N 3.46Å; E41-L44 PolarHBondContact O-N 3.45Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.19Å; L44-Y47 PolarHBondContact O-N 3.12Å; L44-N48 WeakPolarHBondContact O-CB 2.91Å; L44-N48 VanDerWaalsContact O-CG 3.23Å; L44-N48 PolarHBondContact O-N 3.48Å; L44-N48 PolarHBondContact O-ND2 3.29Å; L44-N48 VanDerWaalsContact O-ND2 3.13Å; L44-I63 HydrophobicContact CD2-CD1 4.34Å; L44-I63 HydrophobicContact CD2-CG2 4.02Å; L44-K67 HydrophobicContact CD2-CG 3.76Å
45E76.6Confident71.4Confident107 Ų10758.9 Ų58.950%0.533%0.328SS..Hα-helixtrans-65.5-41.7175.2-172.3174.1178.500111.6E41 V42 N48 S49E41-E45 WeakPolarHBondContact O-CB 3.46Å; E41-E45 PolarHBondContact O-N 2.84Å; V42-E45 PolarHBondContact O-N 2.95Å; E45-N48 PolarHBondContact O-N 3.28Å; E45-S49 WeakPolarHBondContact O-CB 3.46Å; E45-S49 PolarHBondContact O-N 3.26Å; E45-S49 PolarHBondContact O-OG 3.49Å
46N72.9Confident70.6Confident40 Ų4063.4 Ų63.421%0.21436%0.36CS..Hα-helixtrans-61.6-47.4174.8-72.1-2.6000111.1V19 V42 M43 N48 S49 I50V19-N46 HydrophobicContact CG1-CB 4.36Å; V19-N46 PolarHBondContact O-ND2 3.32Å; V42-N46 WeakPolarHBondContact O-CB 3.34Å; V42-N46 VanDerWaalsContact O-CG 3.25Å; V42-N46 PolarHBondContact O-N 3.37Å; V42-N46 PolarHBondContact O-OD1 3.49Å; M43-N46 PolarHBondContact O-N 3.01Å; N46-N48 PolarHBondContact O-N 3.44Å; N46-S49 WeakPolarHBondContact O-CB 3.37Å; N46-S49 PolarHBondContact O-N 2.91Å; N46-I50 WeakPolarHBondContact O-CG1 3.17Å; N46-I50 PolarHBondContact O-N 3.13Å
47Y75.8Confident69.7Low22 Ų2261.5 Ų61.59%0.08636%0.356CS..Hα-helixtrans-59.1-48.6176.7176.6-105.7000112.1F16 M43 L44 S49 I50 V51 P60 I63F16-Y47 HydrophobicContact CD2-CD2 4.12Å; F16-Y47 HydrophobicContact CE2-CD2 4.4Å; M43-Y47 WeakPolarHBondContact O-CB 3.25Å; M43-Y47 PolarHBondContact O-N 3.01Å; L44-Y47 PolarHBondContact O-N 3.12Å; Y47-S49 PolarHBondContact O-N 3.26Å; Y47-I50 PolarHBondContact O-N 3.41Å; Y47-I50 VanDerWaalsContact O-N 3.16Å; Y47-V51 HydrophobicContact CD1-CG2 4.28Å; Y47-V51 HydrophobicContact CD2-CG2 4.37Å; Y47-V51 HydrophobicContact CE1-CG2 3.85Å; Y47-V51 HydrophobicContact CE2-CG2 3.92Å; Y47-V51 WeakPolarHBondContact O-CG2 3.35Å; Y47-V51 PolarHBondContact O-N 3.43Å; Y47-P60 HydrophobicContact CD2-CG 4.43Å; Y47-P60 VanDerWaalsContact CE2-CD 3.46Å; Y47-P60 HydrophobicContact CE2-CG 4.4Å; Y47-I63 HydrophobicContact CD1-CG2 3.81Å; Y47-I63 HydrophobicContact CD2-CG1 4.04Å; Y47-I63 HydrophobicContact CD2-CG2 4.38Å; Y47-I63 HydrophobicContact CE1-CG2 4.11Å; Y47-I63 HydrophobicContact CG-CD1 4.28Å; Y47-I63 HydrophobicContact CG-CG1 3.96Å; Y47-I63 HydrophobicContact CG-CG2 3.94Å
48N73.6Confident69.1Low86 Ų8663.1 Ų63.146%0.4637%0.371SS..Hα-helixtrans-63-32.9178.7-71.6-29.3000112.5L44 E45 N46 S52L44-N48 WeakPolarHBondContact O-CB 2.91Å; L44-N48 VanDerWaalsContact O-CG 3.23Å; L44-N48 PolarHBondContact O-N 3.48Å; L44-N48 PolarHBondContact O-ND2 3.29Å; L44-N48 VanDerWaalsContact O-ND2 3.13Å; E45-N48 PolarHBondContact O-N 3.28Å; N46-N48 PolarHBondContact O-N 3.44Å; N48-S52 WeakPolarHBondContact O-CB 3.48Å; N48-S52 PolarHBondContact O-N 2.99Å; N48-S52 PolarHBondContact O-OG 3.13Å
49S72.1Confident68.5Low49 Ų4963.2 Ų63.234%0.34337%0.37SS..Hα-helixtrans-66.6-42.1175.4-59.60000111.5E45 N46 Y47 S52 L53E45-S49 WeakPolarHBondContact O-CB 3.46Å; E45-S49 PolarHBondContact O-N 3.26Å; E45-S49 PolarHBondContact O-OG 3.49Å; N46-S49 WeakPolarHBondContact O-CB 3.37Å; N46-S49 PolarHBondContact O-N 2.91Å; Y47-S49 PolarHBondContact O-N 3.26Å; S49-S52 PolarHBondContact O-N 3.3Å; S49-L53 PolarHBondContact O-N 3.04Å
50I68.9Low68Low13 Ų1363.3 Ų63.37%0.06737%0.372CS..Hα-helixtrans-66.2-43.4176.6-67.1162.3000111.2F16 V19 N46 Y47 S52 L53 V57F16-I50 HydrophobicContact CB-CD1 4.41Å; F16-I50 HydrophobicContact CD2-CD1 3.9Å; V19-I50 HydrophobicContact CB-CD1 4.26Å; V19-I50 HydrophobicContact CG2-CD1 4.05Å; N46-I50 WeakPolarHBondContact O-CG1 3.17Å; N46-I50 PolarHBondContact O-N 3.13Å; Y47-I50 PolarHBondContact O-N 3.41Å; Y47-I50 VanDerWaalsContact O-N 3.16Å; I50-S52 VanDerWaalsContact C-N 3.25Å; I50-S52 PolarHBondContact O-N 3.37Å; I50-L53 WeakPolarHBondContact O-CB 3.38Å; I50-L53 PolarHBondContact O-N 2.79Å; I50-L53 VanDerWaalsContact O-N 3.07Å; I50-V57 HydrophobicContact CG2-CG2 3.89Å
51V66.9Low67.3Low64 Ų6466.6 Ų66.639%0.38839%0.392SS..Hα-helixtrans-60.7-36.6175.8173.40000111.5Y47 L53 G54Y47-V51 HydrophobicContact CD1-CG2 4.28Å; Y47-V51 HydrophobicContact CD2-CG2 4.37Å; Y47-V51 HydrophobicContact CE1-CG2 3.85Å; Y47-V51 HydrophobicContact CE2-CG2 3.92Å; Y47-V51 WeakPolarHBondContact O-CG2 3.35Å; Y47-V51 PolarHBondContact O-N 3.43Å; V51-L53 PolarHBondContact O-N 3.21Å; V51-G54 PolarHBondContact O-N 3.31Å; V51-G54 VanDerWaalsContact O-N 3.12Å
52S68.4Low66.7Low102 Ų10265.7 Ų65.771%0.71339%0.39SS*.THydrogen-bonded Turntrans-69-13.3177.7-58.30000113.9N48 S49 I50 G54N48-S52 WeakPolarHBondContact O-CB 3.48Å; N48-S52 PolarHBondContact O-N 2.99Å; N48-S52 PolarHBondContact O-OG 3.13Å; S49-S52 PolarHBondContact O-N 3.3Å; I50-S52 VanDerWaalsContact C-N 3.25Å; I50-S52 PolarHBondContact O-N 3.37Å; S52-G54 PolarHBondContact O-N 2.89Å
53L68.1Low66.4Low136 Ų13663 Ų6371%0.71237%0.374SS*.THydrogen-bonded Turntrans-82.12.2172.7-61.6173.5000113S49 I50 V51S49-L53 PolarHBondContact O-N 3.04Å; I50-L53 WeakPolarHBondContact O-CB 3.38Å; I50-L53 PolarHBondContact O-N 2.79Å; I50-L53 VanDerWaalsContact O-N 3.07Å; V51-L53 PolarHBondContact O-N 3.21Å
54G52.8Low65.9Low66 Ų6667.3 Ų67.368%0.6839%0.393SS*.THydrogen-bonded Turntrans8014.5174.700000114.7V51 S52V51-G54 PolarHBondContact O-N 3.31Å; V51-G54 VanDerWaalsContact O-N 3.12Å; S52-G54 PolarHBondContact O-N 2.89Å
55L55.2Low65.3Low69 Ų6967.2 Ų67.236%0.36139%0.391SS..  trans-88.2126177.3-62.8176.4000110.3V57L55-V57 HydrophobicContact CB-CG2 4.02Å; L55-V57 PolarHBondContact O-N 3.43Å
56P49.7Very low65Low128 Ų12862.6 Ų62.683%0.83137%0.37SS*.  trans-73.791.817228.7-30.5000109.1
57V57.3Low64.7Low36 Ų3666.1 Ų66.122%0.21838%0.383CS..  trans-100.1121.2175-170.90000108.2I50 L55 Q59I50-V57 HydrophobicContact CG2-CG2 3.89Å; L55-V57 HydrophobicContact CB-CG2 4.02Å; L55-V57 PolarHBondContact O-N 3.43Å; V57-Q59 PolarHBondContact O-N 3.06Å
58P59.3Low63.9Low112 Ų11273 Ų7373%0.72741%0.409SS*.  trans-54.3137.7170.3-13.123000108.6P60P58-P60 WeakPolarHBondContact O-CD 3.48Å
59Q61Low63.1Low73 Ų7371.2 Ų71.234%0.34141%0.411SS..  trans-59.1113.9-178.4-175.7174.9-24.100109.5V57 I63 F64V57-Q59 PolarHBondContact O-N 3.06Å; Q59-I63 HydrophobicContact CG-CB 4.26Å; Q59-I63 HydrophobicContact CG-CG2 3.93Å; Q59-F64 HydrophobicContact CG-CB 4.46Å; Q59-F64 VanDerWaalsContact NE2-CA 3.28Å
60P69.8Low62.3Low17 Ų1772.5 Ų72.511%0.1141%0.414CS..  trans-63.4144.7-176.5-23.635.3000110.5F16 Y47 P58 V62 I63 F64F16-P60 HydrophobicContact CB-CG 3.8Å; F16-P60 HydrophobicContact CD1-CB 3.72Å; F16-P60 HydrophobicContact CD1-CG 3.49Å; F16-P60 VanDerWaalsContact CD1-CG 3.49Å; F16-P60 HydrophobicContact CD2-CG 4.42Å; F16-P60 HydrophobicContact CE1-CB 4.12Å; F16-P60 HydrophobicContact CE1-CG 4.18Å; F16-P60 HydrophobicContact CG-CB 4.38Å; F16-P60 HydrophobicContact CG-CG 3.64Å; Y47-P60 HydrophobicContact CD2-CG 4.43Å; Y47-P60 VanDerWaalsContact CE2-CD 3.46Å; Y47-P60 HydrophobicContact CE2-CG 4.4Å; P58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-V62 PolarHBondContact O-N 3.27Å; P60-V62 VanDerWaalsContact O-N 3.12Å; P60-I63 HydrophobicContact CB-CG1 4.41Å; P60-I63 HydrophobicContact CG-CG1 4.4Å; P60-I63 WeakPolarHBondContact O-CA 3.23Å; P60-I63 WeakPolarHBondContact O-CB 3.38Å; P60-I63 PolarHBondContact O-N 3.04Å; P60-F64 PolarHBondContact O-N 3.34Å
61D60.7Low61.6Low120 Ų12079.1 Ų79.164%0.64244%0.443SS*.Hα-helixtrans-55.4-36.1-176.4-67.6-37.2000112.2I63 F64 Q65D61-I63 PolarHBondContact O-N 3.07Å; D61-F64 PolarHBondContact O-N 3.18Å; D61-Q65 WeakPolarHBondContact O-CB 3.37Å; D61-Q65 VanDerWaalsContact O-CG 3.24Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 2.88Å
62V59.4Low61Low36 Ų3676.3 Ų76.322%0.21843%0.426CS..Hα-helixtrans-59.3-45.9173.6-179.70000110.9P60 Q65 L66P60-V62 PolarHBondContact O-N 3.27Å; P60-V62 VanDerWaalsContact O-N 3.12Å; V62-Q65 PolarHBondContact O-N 3.15Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.38Å; V62-L66 WeakPolarHBondContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CD1 3.48Å; V62-L66 WeakPolarHBondContact O-CG 3.42Å; V62-L66 PolarHBondContact O-N 3.22Å
63I69.5Low60.4Low0 Ų075.3 Ų75.30%041%0.406CS..Hα-helixtrans-69.4-36.5177.7-65.2-61.2000111.8F16 M43 L44 Y47 Q59 P60 D61 L66 K67F16-I63 HydrophobicContact CE1-CD1 4.24Å; F16-I63 HydrophobicContact CE1-CG1 3.88Å; F16-I63 HydrophobicContact CE2-CD1 3.83Å; F16-I63 HydrophobicContact CE2-CG1 3.89Å; F16-I63 HydrophobicContact CZ-CD1 3.42Å; F16-I63 VanDerWaalsContact CZ-CD1 3.42Å; F16-I63 HydrophobicContact CZ-CG1 3.49Å; F16-I63 VanDerWaalsContact CZ-CG1 3.49Å; M43-I63 HydrophobicContact CB-CD1 4.15Å; M43-I63 WeakPolarHBondContact O-CD1 3.23Å; L44-I63 HydrophobicContact CD2-CD1 4.34Å; L44-I63 HydrophobicContact CD2-CG2 4.02Å; Y47-I63 HydrophobicContact CD1-CG2 3.81Å; Y47-I63 HydrophobicContact CD2-CG1 4.04Å; Y47-I63 HydrophobicContact CD2-CG2 4.38Å; Y47-I63 HydrophobicContact CE1-CG2 4.11Å; Y47-I63 HydrophobicContact CG-CD1 4.28Å; Y47-I63 HydrophobicContact CG-CG1 3.96Å; Y47-I63 HydrophobicContact CG-CG2 3.94Å; Q59-I63 HydrophobicContact CG-CB 4.26Å; Q59-I63 HydrophobicContact CG-CG2 3.93Å; P60-I63 HydrophobicContact CB-CG1 4.41Å; P60-I63 HydrophobicContact CG-CG1 4.4Å; P60-I63 WeakPolarHBondContact O-CA 3.23Å; P60-I63 WeakPolarHBondContact O-CB 3.38Å; P60-I63 PolarHBondContact O-N 3.04Å; D61-I63 PolarHBondContact O-N 3.07Å; I63-L66 HydrophobicContact CD1-CD1 4.3Å; I63-K67 WeakPolarHBondContact O-CG 3.44Å; I63-K67 PolarHBondContact O-N 2.84Å; I63-K67 VanDerWaalsContact O-N 3.11Å
64F70.6Confident58.9Low95 Ų9576.6 Ų76.642%0.41741%0.411SS..Hα-helixtrans-61.5-46.1174.1-178.6-100.7000112.3Q59 P60 D61 K67 R68Q59-F64 HydrophobicContact CG-CB 4.46Å; Q59-F64 VanDerWaalsContact NE2-CA 3.28Å; P60-F64 PolarHBondContact O-N 3.34Å; D61-F64 PolarHBondContact O-N 3.18Å; F64-K67 PolarHBondContact O-N 3.04Å; F64-R68 PolarHBondContact O-N 3.14Å
65Q63.1Low58.1Low41 Ų4179.7 Ų79.719%0.19242%0.416CS..Hα-helixtrans-69.5-40.5179-67.2177.548.100112.1D61 V62 K67 R68 G69 D70 K71 P72 W73D61-Q65 WeakPolarHBondContact O-CB 3.37Å; D61-Q65 VanDerWaalsContact O-CG 3.24Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 2.88Å; V62-Q65 PolarHBondContact O-N 3.15Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 2.8Å; Q65-R68 PolarHBondContact O-N 3.32Å; Q65-R68 VanDerWaalsContact O-N 3.15Å; Q65-G69 PolarHBondContact O-N 3.06Å; Q65-D70 PolarHBondContact O-N 2.76Å; Q65-K71 PolarHBondContact OE1-O 3.26Å; Q65-P72 PolarHBondContact OE1-O 2.88Å; Q65-W73 VanDerWaalsContact OE1-N 3.15Å
66L69.4Low57Low9 Ų983.9 Ų83.95%0.04744%0.439CS..Hα-helixtrans-62.3-33.5175.9-66.8168000112.5Y39 K40 M43 V62 I63 P72Y39-L66 HydrophobicContact CD1-CD2 4.15Å; Y39-L66 HydrophobicContact CE1-CD1 4.24Å; Y39-L66 HydrophobicContact CE1-CD2 4.04Å; K40-L66 HydrophobicContact CB-CD2 4.28Å; K40-L66 HydrophobicContact CD-CD2 4.44Å; K40-L66 HydrophobicContact CG-CB 4.42Å; K40-L66 HydrophobicContact CG-CD2 3.36Å; K40-L66 HydrophobicContact CG-CG 4.38Å; M43-L66 HydrophobicContact CB-CD1 3.8Å; M43-L66 HydrophobicContact CG-CD1 4.36Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.38Å; V62-L66 WeakPolarHBondContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CD1 3.48Å; V62-L66 WeakPolarHBondContact O-CG 3.42Å; V62-L66 PolarHBondContact O-N 3.22Å; I63-L66 HydrophobicContact CD1-CD1 4.3Å; L66-P72 HydrophobicContact CD2-CG 3.84Å
67K67Low56.3Low114 Ų11485.9 Ų85.950%0.49644%0.442SS..Hα-helixtrans-71.8-30.1175.2-76.4-173.8-171.8171.60113.6L44 I63 F64 Q65 G69L44-K67 HydrophobicContact CD2-CG 3.76Å; I63-K67 WeakPolarHBondContact O-CG 3.44Å; I63-K67 PolarHBondContact O-N 2.84Å; I63-K67 VanDerWaalsContact O-N 3.11Å; F64-K67 PolarHBondContact O-N 3.04Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 2.8Å; K67-G69 VanDerWaalsContact C-N 3.33Å
68R59.6Low55.1Low167 Ų16793.4 Ų93.463%0.6347%0.474SS*.Hα-helixtrans-84.1-9.2179-67.6-177.977.3-171.53113.4F64 Q65 D70F64-R68 PolarHBondContact O-N 3.14Å; Q65-R68 PolarHBondContact O-N 3.32Å; Q65-R68 VanDerWaalsContact O-N 3.15Å; R68-D70 WeakPolarHBondContact CB-OD2 3.45Å; R68-D70 IonicContact NE-OD2 3.75Å
69G55.4Low53.6Low49 Ų4992 Ų9251%0.50548%0.48SS..THydrogen-bonded Turntrans80.26.3-176.100000113.4Q65 K67Q65-G69 PolarHBondContact O-N 3.06Å; K67-G69 VanDerWaalsContact C-N 3.33Å
70D56.9Low52Low76 Ų7694.2 Ų94.241%0.40650%0.504SS..  trans-75.4157.7179.1-63.4-35.2000111Q65 R68Q65-D70 PolarHBondContact O-N 2.76Å; R68-D70 WeakPolarHBondContact CB-OD2 3.45Å; R68-D70 IonicContact NE-OD2 3.75Å
71K53.7Low50.2Low152 Ų152102.2 Ų102.266%0.66154%0.539SS*.  trans-66.2136.2169.6-67.3179-177.2176.40108Q65 W73Q65-K71 PolarHBondContact OE1-O 3.26Å; K71-W73 PolarHBondContact O-N 3.28Å
72P53.9Low48.6Very low5 Ų5103.2 Ų103.23%0.03254%0.54CS..SBendtrans-70.76.5-166.5-15.630.8000116.2W28 Q65 L66W28-P72 HydrophobicContact CZ2-CG 4.34Å; Q65-P72 PolarHBondContact OE1-O 2.88Å; L66-P72 HydrophobicContact CD2-CG 3.84Å
73W56.3Low47Very low80 Ų80111.1 Ų111.130%0.30357%0.566SS.*  trans-151.2104.7179.819.585.2000109.9V22 F23 W28 Q65 K71V22-W73 HydrophobicContact CG1-CZ3 4.26Å; F23-W73 HydrophobicContact CB-CH2 4.44Å; W28-W73 HydrophobicContact CB-CZ2 4.24Å; W28-W73 HydrophobicContact CD2-CZ2 4.06Å; W28-W73 HydrophobicContact CE3-CZ2 4.17Å; W28-W73 HydrophobicContact CG-CZ2 4.09Å; Q65-W73 VanDerWaalsContact OE1-N 3.15Å; K71-W73 PolarHBondContact O-N 3.28Å
74M36.6Very low44.8Very low163 Ų163119.9 Ų119.980%0.80361%0.607SS**  trans-145.261.2161.1-119.5-158-57.200109.5
75V35.1Very low42.4Very low132 Ų132126 Ų12680%0.863%0.627SS**  trans-152.5118.5157.1-175.80000108L77V75-L77 PolarHBondContact O-N 2.88Å
76D32.7Very low40.7Very low157 Ų157130 Ų13084%0.8466%0.657SS**  trans-65.6119.2172-67.4-50.2000110.4H78D76-H78 VanDerWaalsContact C-N 3.35Å; D76-H78 PolarHBondContact O-N 3.13Å
77L35.5Very low38.5Very low170 Ų170137.3 Ų137.389%0.8969%0.691SS**  trans-82.484162.3-83.8162.9000108.3V75V75-L77 PolarHBondContact O-N 2.88Å
78H32.3Very low36.5Very low194 Ų194136.9 Ų136.990%0.89870%0.703SS**  trans-132.1109.8153.9-9459.6000108.6D76D76-H78 VanDerWaalsContact C-N 3.35Å; D76-H78 PolarHBondContact O-N 3.13Å
79G26.3Very low34.6Very low82 Ų82135.4 Ų135.485%0.84571%0.712SS**  trans-156.492.7175.800000110.8
80S27.3Very low33.1Very low120 Ų120138.1 Ų138.184%0.83972%0.723SS**  trans-155121.3143.8570000108.3
81E33.7Very low31.5Very low185 Ų185142.6 Ų142.686%0.86475%0.746SS**  trans-55.6162-178.1-59.8162.8108.200112.9
82E26.5Very low30.1Very low141 Ų141139 Ų13966%0.65974%0.744SS**  cis-159.7153.544.7-74.3-174.4115.500113.1
83R26.2Very low28.7Very low202 Ų202147.4 Ų147.476%0.76278%0.783SS**  trans30.5135.9146.1-55.8-174.7-167.5102.911.8119.8
84E22Very low27.2Very low183 Ų183150.8 Ų150.886%0.85580%0.802SS**  -163.5156.657-75.3-179144.300111.4
85W20.7Very low26.8Very low224 Ų224151.4 Ų151.485%0.84880%0.8SS**  trans-109.6152.2163.7-97.774.9000108.3E87W85-E87 HydrophobicContact CE3-CG 4.29Å; W85-E87 HydrophobicContact CZ3-CG 4.38Å
86P27.6Very low26.4Very low125 Ų125151.9 Ų151.981%0.81280%0.799SS**  -144.8167.992.531.5-10.6000116.9
87E22.7Very low26Very low162 Ų162149.8 Ų149.876%0.75780%0.795SS**  trans-56.6156.2-169.6-57.8164.2139.900117.9W85W85-E87 HydrophobicContact CE3-CG 4.29Å; W85-E87 HydrophobicContact CZ3-CG 4.38Å
88S24.6Very low25.4Very low106 Ų106148.8 Ų148.874%0.74179%0.789SS**  157.7138106.962.80000115.8
89V21.3Very low25Very low136 Ų136144.4 Ų144.482%0.82478%0.779SS**  trans43.1132.1152.8-122.10000120.7
90S23.6Very low24.9Very low105 Ų105148.9 Ų148.973%0.73478%0.775SS**  175133.555.543.50000109.2
91L22.6Very low24.7Very low171 Ų171149.8 Ų149.890%0.89577%0.77SS**  53.9129.5104.1-151.376.7000119.9
92A23.8Very low24.1Very low76 Ų76149.8 Ų149.863%0.62877%0.768SS**  trans76.4143.3157.600000117.2
93Q25Very low24.2Very low181 Ų181149 Ų14985%0.84677%0.772SS**  cis-166.716626.3-130.2149.7-12.900112
94E24.6Very low24.5Very low152 Ų152144.3 Ų144.371%0.7177%0.768SS**  trans-69.4177.1-173.8-57.8168.3134.900118.3
95K28.6Very low24.6Very low175 Ų175142.7 Ų142.776%0.76177%0.765SS**  trans95.4126.9152.9-53-178.2-169.8177.20115
96N26.1Very low24.8Very low142 Ų142142.3 Ų142.376%0.75976%0.764SS**  cis-147.614129.3-92-28.7000109.7
97C24.7Very low24.7Very low113 Ų113143.8 Ų143.876%0.76476%0.76SS**  60.1126.574.9-90.20000112.4
98I24.1Very low24.8Very low149 Ų149141.9 Ų141.976%0.76476%0.76SS**  cis-159.8155.630.7-61-173.9000111F100I98-F100 HydrophobicContact CG2-CD2 4.43Å; I98-F100 HydrophobicContact CG2-CE2 4.48Å
99C24Very low24.8Very low102 Ų102146.4 Ų146.469%0.68977%0.766SS**  trans-53166.8166.2-63.40000114.8
100F22.6Very low25.3Very low176 Ų176146.1 Ų146.177%0.77277%0.767SS**  -167.4123.179.7-96-92.7000107.5I98I98-F100 HydrophobicContact CG2-CD2 4.43Å; I98-F100 HydrophobicContact CG2-CE2 4.48Å
101L24.2Very low25.4Very low140 Ų140149.1 Ų149.173%0.73377%0.769SS**  44.7115.588.7-66.4178.5000114.9
102F21.6Very low25.4Very low184 Ų184147.2 Ų147.281%0.80776%0.759SS**  -174.8140.2108.5-130.6-109.7000113.1P104F102-P104 HydrophobicContact CE1-CG 4.38Å
103V26.9Very low25.5Very low125 Ų125151.6 Ų151.676%0.75877%0.766SS**  trans-117.5142.4162.1174.80000103.8
104P34.1Very low25.4Very low104 Ų104149.4 Ų149.468%0.67576%0.76SS**  -156.7151.493.835.9-12.4000119F102F102-P104 HydrophobicContact CE1-CG 4.38Å
105D24.1Very low25.3Very low149 Ų149146.4 Ų146.480%0.79776%0.761SS**  trans23.6145.2136.6-96.2-19000124.6
106W23.9Very low24.9Very low215 Ų215143.1 Ų143.181%0.81476%0.76SS**  132150.412499.1-87.2000118.6T108W106-T108 HydrophobicContact CZ3-CG2 4.26Å
107E25.1Very low24.9Very low157 Ų157143.3 Ų143.373%0.73476%0.761SS**  trans-70161.6-162.3-55.3174.5134.400117.7
108T25.3Very low25Very low122 Ų122147.5 Ų147.575%0.74877%0.767SS**  148140.3126.143.40000114.9W106W106-T108 HydrophobicContact CZ3-CG2 4.26Å
109K24.9Very low24.9Very low200 Ų200149.7 Ų149.787%0.8777%0.77SS**  trans-79.2157.1165.1-103.7-178.4179.9-177.90110
110P32.2Very low25Very low130 Ų130150.6 Ų150.684%0.84478%0.778SS**  -151.8-155.27938.6-15.1000115.9
111E24.2Very low25.1Very low169 Ų169151 Ų15179%0.7978%0.782SS**  trans-84.2155.4-146-69.4-169.5152.500121.3
112I24.5Very low25Very low130 Ų130148.1 Ų148.167%0.66779%0.786SS**  trans42.8118.6135.3-49169.1000121.7
113H24.2Very low25.1Very low168 Ų168145.2 Ų145.278%0.77879%0.789SS**  -174.3152.1108.4-117.5-84.2000113.6
114D22.6Very low24.9Very low135 Ų135146.5 Ų146.572%0.72279%0.79SS**  trans-18.2142.6176.2-68.4-58.5000122.6
115A22.5Very low24.5Very low89 Ų89153.3 Ų153.374%0.73680%0.803SS**  170.5114.7103.500000113
116S22Very low24.5Very low106 Ų106153 Ų15374%0.74180%0.796SS**  trans49.4123.4130.1-47.70000123.5
117D24.9Very low24.5Very low147 Ų147149.2 Ų149.279%0.78680%0.801SS**  trans70.2107.9132.5-70.3-36000121.2
118K27Very low24.5Very low201 Ų201148.7 Ų148.787%0.87480%0.803SS**  -175.912497.2-95.2170.2-171.61740113.8
119K23.1Very low24.6Very low194 Ų194146.5 Ų146.584%0.84380%0.804SS**  trans-0.5136.5152.3-69.1175.5174.3-178.90120.3
120S25.9Very low24.6Very low121 Ų121148.2 Ų148.285%0.84681%0.805SS**  -146.4126.4123.362.50000111
121E23.6Very low24.3Very low186 Ų186150.8 Ų150.887%0.86981%0.806SS**  trans-68.5156.4177.2-63.3175.413600112.7
122G23.3Very low24.4Very low78 Ų78147 Ų14780%0.80480%0.799SS**  trans174.665.2173.600000117.4
123S23.3Very low24.6Very low124 Ų124146.3 Ų146.387%0.86780%0.802SS**  trans70103.4147-1520000121.2
124L22.7Very low24.8Very low151 Ų151146 Ų14679%0.79181%0.805SS**  trans-52.3136.2148.6-89.6144.4000112.7
125R24.7Very low24.9Very low247 Ų247145.1 Ų145.193%0.93281%0.809SS**  trans-141.7119133.5-117.8179.1-160.1-102.72.2111.9
126E23.7Very low25.2Very low142 Ų142146.4 Ų146.466%0.66481%0.809SS**  trans-58.3149.5167.6-65.6164108.600112.1
127C24.3Very low25.4Very low136 Ų136151.4 Ų151.492%0.91982%0.818SS**  trans-143.883.2141.5-91.50000109.8
128L25.3Very low25.4Very low146 Ų146153.9 Ų153.976%0.76482%0.822SS**  trans9.9129.3146.1-63.3165000118.9
129G27.3Very low25.3Very low76 Ų76153.5 Ų153.578%0.78482%0.823SS**  trans-64.3136.4169.900000112.7
130R24.8Very low25.4Very low236 Ų236150.8 Ų150.889%0.89182%0.823SS**  trans-89.3111166.5-82.1-175-175.7-119.11.6110.4
131Q26.9Very low25.3Very low184 Ų184153.7 Ų153.786%0.8682%0.823SS**PPolyproline II helixtrans-51.4142.1150.8-66.9173.610.400109P133Q131-P133 WeakPolarHBondContact O-CD 3.26Å
132S25.8Very low25.6Very low91 Ų91150.8 Ų150.864%0.63682%0.818SS**PPolyproline II helixtrans-78.1124.2171.9-62.30000108.6
133P28.1Very low25.8Very low114 Ų114153.1 Ų153.174%0.7482%0.819SS**PPolyproline II helixtrans-78.3138.7169.3-2.720.7000109.7Q131Q131-P133 WeakPolarHBondContact O-CD 3.26Å
134L28.4Very low25.9Very low161 Ų161155.5 Ų155.584%0.84382%0.822SS**PPolyproline II helixtrans-74.1123.1162.4-71.7158.7000107.5
135C25.9Very low26Very low117 Ų117152.3 Ų152.379%0.79183%0.825SS**PPolyproline II helixtrans-75.3134.7174.6-64.40000110.9
136P28.3Very low26.1Very low116 Ų116152.2 Ų152.275%0.75383%0.825SS**PPolyproline II helixtrans-77.3142.7166.3-7.224.9000110.9
137K26.2Very low26.2Very low212 Ų212154.3 Ų154.392%0.92284%0.837SS**PPolyproline II helixtrans-74.8135172-72.2176.4175.9-179.30109.8
138F24.1Very low26.2Very low198 Ų198151.1 Ų151.187%0.86883%0.827SS**  trans-118.3133.4167-107.5-89.8000110
139E25Very low26.2Very low193 Ų193150.2 Ų150.290%0.90283%0.827SS**  trans-73.9138.6172.9-70.6174.8150.300110.2
140V24.8Very low26Very low137 Ų137153.7 Ų153.783%0.8382%0.823SS**  trans-100.2113.1176.6176.70000108.7
141H23.8Very low26Very low183 Ų183150.3 Ų150.385%0.84782%0.815SS**  trans-89.8124.7158.3-98.4-48.3000109.5
142T30.3Very low25.9Very low124 Ų124150.9 Ų150.976%0.76182%0.818SS**  trans-66.4150.8163.741.90000111.4
143P28.3Very low25.9Very low127 Ų127151.8 Ų151.883%0.82582%0.824SS**  -143151.8118.828.9-10.2000115.9
144N25.7Very low25.9Very low175 Ų175152.7 Ų152.794%0.93683%0.83SS**  trans-67.3152.2166.7-92.7-28.9000112.5
145G25.1Very low25.6Very low84 Ų84150.5 Ų150.587%0.86683%0.828SS**  trans177.1128.2161.600000113.6
146R26.7Very low25.5Very low244 Ų244148.8 Ų148.892%0.92183%0.83SS**  trans-117.6167.4-172.5-153.9-175.7-159.3-158.56.5110
147M25Very low25.3Very low187 Ų187151.9 Ų151.992%0.92184%0.835SS**  trans87130.3178.5-74.3147.353.800114.1
148G24.1Very low25.1Very low68 Ų68148.5 Ų148.570%0.70183%0.832SS**  cis121.6123.431.300000105.5
149T24.7Very low25.2Very low127 Ų127150.2 Ų150.278%0.77983%0.833SS**  -177.8158.671.239.60000111.4
150E23.8Very low25.4Very low149 Ų149150.5 Ų150.570%0.69683%0.831SS**  trans42.1151.4144.6-66.3-177.3110.200122.1
151K24.8Very low25.4Very low166 Ų166154.2 Ų154.272%0.72284%0.836SS**  cis-172.4148.3-9.5-108.3171.9-179159.30104.6
152Q24.8Very low25.7Very low195 Ų195150.8 Ų150.891%0.91183%0.832SS**  156.7120.4126.8-86.4176.77.700111.8
153S25.7Very low25.6Very low111 Ų111153.3 Ų153.378%0.77684%0.841SS**  trans-78.8172.6161.9-47.10000110.5
154P27.6Very low26Very low132 Ų132152.3 Ų152.386%0.85784%0.837SS**  -132.7142.4114.524.3-7.9000114.2
155S22.7Very low26.6Very low115 Ų115155.6 Ų155.680%0.80484%0.836SS**  trans-77.4146.9170.247.60000112.5
156G23.8Very low27.2Very low81 Ų81157.5 Ų157.584%0.83583%0.826SS**  trans-145.8100.7156.900000109.1
157E24.8Very low27.8Very low181 Ų181155.5 Ų155.585%0.84682%0.824SS**  trans-76.4147.3173.7-76.2-179.7113.200111.2
158T22.5Very low28.5Very low141 Ų141148.6 Ų148.687%0.86580%0.801SS**  -162.3125.1117160000113.4
159R25.5Very low29.2Very low235 Ų235151 Ų15189%0.88780%0.797SS**  trans83.886135.5-143.7169.4-170.7175.31.7120.7
160K28.7Very low29.8Very low198 Ų198155.1 Ų155.186%0.86180%0.798SS**  trans13.8120.8133.6-60.7179.3-178176.40118.3
161K25.2Very low30.4Very low215 Ų215158.1 Ų158.194%0.93580%0.803SS**  -143.5115.2127.3-102.4177.7-175.5176.60109.4
162S29.6Very low30.9Very low111 Ų111158.6 Ų158.678%0.77680%0.8SS**  trans-79.1127.9172.8460000110.5
163L28.2Very low31.9Very low178 Ų178152.5 Ų152.593%0.93278%0.779SS**  trans-139.5105.7152.5-88.1170.7000108.9
164S37.4Very low32.6Very low106 Ų106149.5 Ų149.574%0.74176%0.761SS**  trans-73129.4167.467.30000109.6
165R38Very low33.2Very low244 Ų244148.1 Ų148.192%0.92175%0.746SS**  trans175.683.5142.7-100.916289.5162.25.1109.2
166D38.3Very low33.8Very low123 Ų123146.3 Ų146.366%0.65873%0.734SS**  trans-143.852.1164.2-154.710.3000112.9
167K39.1Very low34.7Very low203 Ų203152.1 Ų152.188%0.88373%0.73SS**SBendtrans-107.26.9168.8-67.4-172179.2-179.20112.8
168G38.9Very low35.5Very low42 Ų42150.1 Ų150.143%0.43372%0.721SS.*SBendtrans-101.8-15.1-176.900000115.5
169L40.2Very low36.5Very low118 Ų118149.7 Ų149.762%0.61871%0.712SS**Hα-helixtrans-92.9-27.4-177.9-134.671.7000113.2S173L169-S173 PolarHBondContact O-N 3.19Å; L169-S173 PolarHBondContact O-OG 3.29Å
170R36.8Very low37.6Very low213 Ų213145.3 Ų145.380%0.80471%0.705SS**Hα-helixtrans-74.1-25.1175.9-80-172.3-174.4-110.31.4114.9S173 A174R170-S173 PolarHBondContact O-OG 3.31Å; R170-A174 PolarHBondContact O-N 3.26Å
171R36.2Very low38.1Very low212 Ų212139.5 Ų139.580%0.869%0.687SS**Hα-helixtrans-81.1-29.2176.4-91.7-172.2175.4-159.9-0.9112.9L175R171-L175 PolarHBondContact O-N 3.1Å; R171-L175 VanDerWaalsContact O-N 3.1Å
172R36Very low39.2Very low176 Ų176139.1 Ų139.166%0.66469%0.685SS**Hα-helixtrans-72.8-35.4173.9-98179.7-81.4-154.1-2.9112.3A174 S176R172-A174 VanDerWaalsContact C-N 3.35Å; R172-S176 VanDerWaalsContact O-CB 3.31Å; R172-S176 WeakPolarHBondContact O-CB 3.41Å; R172-S176 PolarHBondContact O-N 3.13Å; R172-S176 PolarHBondContact O-OG 3.41Å
173S44.2Very low40.4Very low67 Ų67138.7 Ų138.747%0.46967%0.671SS.*Hα-helixtrans-73.7-22.7173.855.20000114.3L169 R170 R177L169-S173 PolarHBondContact O-N 3.19Å; L169-S173 PolarHBondContact O-OG 3.29Å; R170-S173 PolarHBondContact O-OG 3.31Å; S173-R177 WeakPolarHBondContact O-CG 3.5Å
174A40.4Very low41.7Very low48 Ų48139.5 Ų139.540%0.39766%0.661SS.*Hα-helixtrans-77.4-45.2171.200000111.9R170 R172 R177 E178R170-A174 PolarHBondContact O-N 3.26Å; R172-A174 VanDerWaalsContact C-N 3.35Å; A174-R177 PolarHBondContact O-N 2.85Å; A174-R177 VanDerWaalsContact O-N 3.16Å; A174-E178 PolarHBondContact O-N 3.49Å; A174-E178 VanDerWaalsContact O-N 3.15Å
175L41.2Very low43.2Very low103 Ų103138.1 Ų138.154%0.53964%0.643SS.*Hα-helixtrans-70.9-33.5179.9-147.791.4000112.7R171 R177 E178 I179R171-L175 PolarHBondContact O-N 3.1Å; R171-L175 VanDerWaalsContact O-N 3.1Å; L175-R177 PolarHBondContact O-N 3.33Å; L175-E178 PolarHBondContact O-N 3.36Å; L175-I179 HydrophobicContact CD2-CD1 3.97Å; L175-I179 HydrophobicContact CG-CD1 4.13Å; L175-I179 WeakPolarHBondContact O-CG1 3.4Å; L175-I179 PolarHBondContact O-N 3.01Å; L175-I179 VanDerWaalsContact O-N 3.14Å
176S35.7Very low45Very low78 Ų78128.8 Ų128.855%0.54561%0.61SS.*Hα-helixtrans-70-19.4172.2-64.90000113.3R172R172-S176 VanDerWaalsContact O-CB 3.31Å; R172-S176 WeakPolarHBondContact O-CB 3.41Å; R172-S176 PolarHBondContact O-N 3.13Å; R172-S176 PolarHBondContact O-OG 3.41Å
177R42.6Very low47.1Very low202 Ų202128.9 Ų128.976%0.76261%0.606SS**Hα-helixtrans-84.9-21.5169.9-82.9179.3168.6179.5-3.4113.1S173 A174 L175 T181S173-R177 WeakPolarHBondContact O-CG 3.5Å; A174-R177 PolarHBondContact O-N 2.85Å; A174-R177 VanDerWaalsContact O-N 3.16Å; L175-R177 PolarHBondContact O-N 3.33Å; R177-T181 VanDerWaalsContact O-CG2 3.29Å; R177-T181 WeakPolarHBondContact O-CG2 3.28Å; R177-T181 PolarHBondContact O-OG1 2.85Å
178E40.8Very low49.4Very low139 Ų139119.2 Ų119.265%0.6556%0.564SS**Hα-helixtrans-90.7-17.8178.5-76.9179.5162.400113.7A174 L175 T181A174-E178 PolarHBondContact O-N 3.49Å; A174-E178 VanDerWaalsContact O-N 3.15Å; L175-E178 PolarHBondContact O-N 3.36Å; E178-T181 PolarHBondContact O-OG1 2.82Å
179I44.7Very low51.6Low133 Ų133122 Ų12268%0.68258%0.577SS**SBendtrans-95.9-12.1179.4-61.1170.8000112.7L175L175-I179 HydrophobicContact CD2-CD1 3.97Å; L175-I179 HydrophobicContact CG-CD1 4.13Å; L175-I179 WeakPolarHBondContact O-CG1 3.4Å; L175-I179 PolarHBondContact O-N 3.01Å; L175-I179 VanDerWaalsContact O-N 3.14Å
180L47.1Very low53.6Low142 Ų142121 Ų12174%0.74357%0.573SS**SBendtrans-95.65170.7-85.2163.7000114.2
181T40.5Very low55.9Low77 Ų77113.3 Ų113.347%0.47255%0.551SS.*  trans-114.943.8-173.947.60000113.9R177 E178R177-T181 VanDerWaalsContact O-CG2 3.29Å; R177-T181 WeakPolarHBondContact O-CG2 3.28Å; R177-T181 PolarHBondContact O-OG1 2.85Å; E178-T181 PolarHBondContact O-OG1 2.82Å
182K48.2Very low58.2Low207 Ų207105 Ų10590%0.953%0.532SS*.  trans-93.959.6133.4-92.3-175.7176.9176.90107.9R184K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.27Å
183E54.5Low60.5Low101 Ų101102.5 Ų102.547%0.47253%0.525SS..  trans-64101167.5-71.4173.3132.900106.8H185E183-H185 WeakPolarHBondContact CB-CE1 3.33Å; E183-H185 VanDerWaalsContact CB-ND1 3.27Å; E183-H185 WeakPolarHBondContact CB-ND1 3.42Å; E183-H185 PolarHBondContact O-N 3.44Å; E183-H185 IonicContact OE1-CE1 3.3Å; E183-H185 IonicContact OE1-NE2 3.52Å; E183-H185 IonicContact OE2-CE1 3.19Å; E183-H185 PolarHBondContact OE2-CE1 2.78Å; E183-H185 IonicContact OE2-ND1 3.17Å
184R55.7Low62.4Low195 Ų195103.3 Ų103.374%0.73653%0.528SS*.  trans-76.459.3171.6-123.3-175.779.5153.16.1108.5K182 Q186K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.27Å; R184-Q186 PolarHBondContact O-N 3.2Å; R184-Q186 PolarHBondContact O-NE2 2.77Å
185H68.6Low64.5Low78 Ų78103 Ų10336%0.36152%0.517SS..  trans-51.8111.8169.8-75.5117.7000108.2E183 T194 F195E183-H185 WeakPolarHBondContact CB-CE1 3.33Å; E183-H185 VanDerWaalsContact CB-ND1 3.27Å; E183-H185 WeakPolarHBondContact CB-ND1 3.42Å; E183-H185 PolarHBondContact O-N 3.44Å; E183-H185 IonicContact OE1-CE1 3.3Å; E183-H185 IonicContact OE1-NE2 3.52Å; E183-H185 IonicContact OE2-CE1 3.19Å; E183-H185 PolarHBondContact OE2-CE1 2.78Å; E183-H185 IonicContact OE2-ND1 3.17Å; H185-T194 HydrophobicContact CB-CG2 4.3Å; H185-F195 CarbonylContact C-O 3.57Å; H185-F195 VanDerWaalsContact CA-O 3.3Å; H185-F195 WeakPolarHBondContact CA-O 3.42Å
186Q74.9Confident66.3Low47 Ų47105.7 Ų105.722%0.2253%0.525CS..EExtended strand (participates in β ladder)trans-85.3116.9176.1-57.4-59.9-53.800106.9R184 F195 L201R184-Q186 PolarHBondContact O-N 3.2Å; R184-Q186 PolarHBondContact O-NE2 2.77Å; Q186-F195 PolarHBondContact N-O 3.16Å; Q186-F195 PolarHBondContact O-N 2.94Å; Q186-L201 HydrophobicContact CB-CB 4.32Å; Q186-L201 HydrophobicContact CB-CD2 3.49Å; Q186-L201 VanDerWaalsContact CB-CD2 3.49Å; Q186-L201 HydrophobicContact CB-CG 4.47Å
187E82.8Confident68.4Low125 Ų125105.2 Ų105.258%0.58452%0.517SS*.EExtended strand (participates in β ladder)trans-85135.4178.6-171.7177.416200110.1S189 G192 K193 T194E187-S189 PolarHBondContact O-N 2.8Å; E187-G192 VanDerWaalsContact OE1-CA 3.28Å; E187-G192 WeakPolarHBondContact OE1-CA 3.37Å; E187-K193 WeakPolarHBondContact CA-O 3.2Å; E187-T194 HydrophobicContact CB-CG2 4.4Å; E187-T194 HydrophobicContact CG-CG2 4.47Å
188C87Confident70.1Confident0 Ų0101.5 Ų101.50%051%0.508CS..PPolyproline II helixtrans-74.6118.1170.5178.30000110.1D190 C191 G192 K193 F195 L201 H208C188-D190 PolarHBondContact O-N 3.3Å; C188-D190 VanDerWaalsContact O-N 3.07Å; C188-C191 PolarHBondContact O-N 2.97Å; C188-G192 WeakPolarHBondContact O-CA 3.38Å; C188-G192 PolarHBondContact O-N 3.35Å; C188-K193 PolarHBondContact N-O 3.06Å; C188-F195 HydrophobicContact CB-CE2 4.18Å; C188-L201 HydrophobicContact CB-CD1 3.63Å; C188-H208 VanDerWaalsContact SG-CD2 3.52Å; C188-H208 PolarHBondContact SG-NE2 3.49Å
189S84.9Confident71.9Confident101 Ų10198.2 Ų98.271%0.70650%0.5SS*.THydrogen-bonded Turntrans-51.6-31.3176.752.60000114.1E187E187-S189 PolarHBondContact O-N 2.8Å
190D83.3Confident73.6Confident98 Ų9893 Ų9352%0.52448%0.475SS..THydrogen-bonded Turntrans-91.3-22-169-51.9-22.5000113.1C188 H208C188-D190 PolarHBondContact O-N 3.3Å; C188-D190 VanDerWaalsContact O-N 3.07Å; D190-H208 HydrophobicContact CB-CB 4.38Å; D190-H208 IonicContact OD2-CD2 2.63Å; D190-H208 PolarHBondContact OD2-CD2 2.92Å; D190-H208 IonicContact OD2-CG 2.84Å
191C85.5Confident75.3Confident51 Ų5186.8 Ų86.835%0.34544%0.443SS..THydrogen-bonded Turntrans-143.76.5-176.675.10000115.7C188 K193 H204 H208C188-C191 PolarHBondContact O-N 2.97Å; C191-K193 PolarHBondContact O-N 3.28Å; C191-K193 VanDerWaalsContact O-N 3.09Å; C191-H204 PolarHBondContact SG-NE2 3.14Å; C191-H208 VanDerWaalsContact SG-CE1 3.59Å; C191-H208 PolarHBondContact SG-NE2 3.2Å; C191-H208 VanDerWaalsContact SG-NE2 3.37Å
192G82.7Confident77.3Confident38 Ų3885.3 Ų85.339%0.39243%0.434SS..  trans66.79.4174.400000115.3E187 C188E187-G192 VanDerWaalsContact OE1-CA 3.28Å; E187-G192 WeakPolarHBondContact OE1-CA 3.37Å; C188-G192 WeakPolarHBondContact O-CA 3.38Å; C188-G192 PolarHBondContact O-N 3.35Å
193K85.1Confident78.9Confident122 Ų12280.5 Ų80.553%0.5341%0.41SS..  trans-75135.2177.2-72.2179.7-173.6173.40110.3E187 C188 C191 F195E187-K193 WeakPolarHBondContact CA-O 3.2Å; C188-K193 PolarHBondContact N-O 3.06Å; C191-K193 PolarHBondContact O-N 3.28Å; C191-K193 VanDerWaalsContact O-N 3.09Å; K193-F195 HydrophobicContact CB-CE2 3.67Å; K193-F195 HydrophobicContact CB-CZ 3.89Å; K193-F195 WeakPolarHBondContact O-CD2 3.41Å; K193-F195 WeakPolarHBondContact O-CE2 3.4Å
194T84.8Confident80.3Confident85 Ų8576.6 Ų76.652%0.52139%0.392SS..EExtended strand (participates in β ladder)trans-94.9139.6178.552.60000111.3H185 E187H185-T194 HydrophobicContact CB-CG2 4.3Å; E187-T194 HydrophobicContact CB-CG2 4.4Å; E187-T194 HydrophobicContact CG-CG2 4.47Å
195F84.5Confident81.7Confident40 Ų4070.3 Ų70.318%0.17537%0.37CS..EExtended strand (participates in β ladder)trans-126.4144.8178.5-62.9-87.5000110.3H185 Q186 C188 K193 D197 L201 H204H185-F195 CarbonylContact C-O 3.57Å; H185-F195 VanDerWaalsContact CA-O 3.3Å; H185-F195 WeakPolarHBondContact CA-O 3.42Å; Q186-F195 PolarHBondContact N-O 3.16Å; Q186-F195 PolarHBondContact O-N 2.94Å; C188-F195 HydrophobicContact CB-CE2 4.18Å; K193-F195 HydrophobicContact CB-CE2 3.67Å; K193-F195 HydrophobicContact CB-CZ 3.89Å; K193-F195 WeakPolarHBondContact O-CD2 3.41Å; K193-F195 WeakPolarHBondContact O-CE2 3.4Å; F195-D197 VanDerWaalsContact C-N 3.35Å; F195-L201 HydrophobicContact CB-CB 4.08Å; F195-L201 HydrophobicContact CD2-CB 4.08Å; F195-L201 HydrophobicContact CD2-CD1 3.66Å; F195-L201 HydrophobicContact CD2-CG 4.48Å; F195-L201 HydrophobicContact CE2-CD1 4.04Å; F195-L201 HydrophobicContact CG-CB 4.19Å; F195-H204 HydrophobicContact CD1-CB 4.39Å; F195-H204 HydrophobicContact CE1-CB 3.64Å; F195-H204 AromaticContact CE1-CG 3.85Å; F195-H204 HydrophobicContact CE2-CB 3.81Å; F195-H204 AromaticContact CE2-CD2 3.2Å; F195-H204 WeakPolarHBondContact CE2-CD2 3.38Å; F195-H204 AromaticContact CE2-CG 3.48Å; F195-H204 VanDerWaalsContact CE2-CG 3.48Å; F195-H204 AromaticContact CE2-NE2 3.91Å; F195-H204 HydrophobicContact CZ-CB 3.32Å; F195-H204 AromaticContact CZ-CD2 3.28Å; F195-H204 WeakPolarHBondContact CZ-CD2 3.28Å; F195-H204 AromaticContact CZ-CG 3.04Å; F195-H204 AromaticContact CZ-ND1 3.57Å; F195-H204 AromaticContact CZ-NE2 3.88Å
196F79.1Confident82.6Confident160 Ų16069 Ų6970%0.70236%0.363SS*.SBendtrans-71.2-30.5-178.3-176.4-101.1000112.7
197D79.6Confident83Confident69 Ų6970.7 Ų70.737%0.36938%0.376SS..SBendtrans-134.4161.2-179.962.635.8000112.6F195 S199 S200 L201F195-D197 VanDerWaalsContact C-N 3.35Å; D197-S199 VanDerWaalsContact C-N 3.34Å; D197-S200 WeakPolarHBondContact OD1-CA 3.31Å; D197-S200 WeakPolarHBondContact OD1-CB 3.38Å; D197-S200 PolarHBondContact OD1-N 2.98Å; D197-S200 PolarHBondContact OD1-OG 3.45Å; D197-L201 PolarHBondContact O-N 3.41Å
198H77.9Confident83.1Confident124 Ų12468.3 Ų68.357%0.57437%0.365SS*.Hα-helixtrans-67.3-33.9179.9-176.8-89.3000112.3L201 T202H198-L201 PolarHBondContact O-N 3.09Å; H198-T202 PolarHBondContact CE1-OG1 3.39Å; H198-T202 PolarHBondContact ND1-OG1 3.07Å; H198-T202 WeakPolarHBondContact O-CB 3.44Å; H198-T202 PolarHBondContact O-N 3.27Å; H198-T202 PolarHBondContact O-OG1 2.8Å
199S78.6Confident83Confident70 Ų7072.3 Ų72.349%0.4939%0.389SS..Hα-helixtrans-64.1-41178.9-58.90000112D197 T202 R203D197-S199 VanDerWaalsContact C-N 3.34Å; S199-T202 PolarHBondContact O-N 3.4Å; S199-R203 WeakPolarHBondContact O-CB 3.47Å; S199-R203 PolarHBondContact O-N 2.85Å
200S80.9Confident82.9Confident24 Ų2469.8 Ų69.817%0.16838%0.379CS..Hα-helixtrans-71.5-37.6176-63.50000111.8D197 R203 H204D197-S200 WeakPolarHBondContact OD1-CA 3.31Å; D197-S200 WeakPolarHBondContact OD1-CB 3.38Å; D197-S200 PolarHBondContact OD1-N 2.98Å; D197-S200 PolarHBondContact OD1-OG 3.45Å; S200-R203 PolarHBondContact OG-NH2 3.33Å; S200-H204 VanDerWaalsContact O-CB 3.24Å; S200-H204 WeakPolarHBondContact O-CB 3.36Å; S200-H204 PolarHBondContact O-N 2.97Å
201L83.3Confident83Confident11 Ų1170.5 Ų70.56%0.05838%0.379CS..Hα-helixtrans-62.2-49.2171174.360.8000111Q186 C188 F195 D197 H198 R203 H204 Q205Q186-L201 HydrophobicContact CB-CB 4.32Å; Q186-L201 HydrophobicContact CB-CD2 3.49Å; Q186-L201 VanDerWaalsContact CB-CD2 3.49Å; Q186-L201 HydrophobicContact CB-CG 4.47Å; C188-L201 HydrophobicContact CB-CD1 3.63Å; F195-L201 HydrophobicContact CB-CB 4.08Å; F195-L201 HydrophobicContact CD2-CB 4.08Å; F195-L201 HydrophobicContact CD2-CD1 3.66Å; F195-L201 HydrophobicContact CD2-CG 4.48Å; F195-L201 HydrophobicContact CE2-CD1 4.04Å; F195-L201 HydrophobicContact CG-CB 4.19Å; D197-L201 PolarHBondContact O-N 3.41Å; H198-L201 PolarHBondContact O-N 3.09Å; L201-R203 VanDerWaalsContact C-N 3.29Å; L201-R203 PolarHBondContact O-N 3.36Å; L201-H204 CarbonylContact O-C 3.35Å; L201-H204 WeakPolarHBondContact O-CA 3.45Å; L201-H204 WeakPolarHBondContact O-CB 3.3Å; L201-H204 PolarHBondContact O-N 2.55Å; L201-Q205 HydrophobicContact CD1-CG 4.12Å; L201-Q205 HydrophobicContact CG-CG 4.39Å; L201-Q205 WeakPolarHBondContact O-CG 3.2Å; L201-Q205 PolarHBondContact O-N 3.34Å
202T81.6Confident83.1Confident46 Ų4674 Ų7428%0.28239%0.389SS..Hα-helixtrans-58.1-44.7178.4-56.60000110.8H198 S199 H204 Q205 R206H198-T202 PolarHBondContact CE1-OG1 3.39Å; H198-T202 PolarHBondContact ND1-OG1 3.07Å; H198-T202 WeakPolarHBondContact O-CB 3.44Å; H198-T202 PolarHBondContact O-N 3.27Å; H198-T202 PolarHBondContact O-OG1 2.8Å; S199-T202 PolarHBondContact O-N 3.4Å; T202-H204 VanDerWaalsContact C-N 3.32Å; T202-H204 PolarHBondContact O-N 3.03Å; T202-Q205 PolarHBondContact O-N 3.05Å; T202-R206 PolarHBondContact O-N 3.27Å
203R82.5Confident83.4Confident105 Ų10575.4 Ų75.440%0.39639%0.391SS..Hα-helixtrans-63.7-37.8175.5179.1171.666.3-171.2-4.3112.1S199 S200 L201 R206 H225S199-R203 WeakPolarHBondContact O-CB 3.47Å; S199-R203 PolarHBondContact O-N 2.85Å; S200-R203 PolarHBondContact OG-NH2 3.33Å; L201-R203 VanDerWaalsContact C-N 3.29Å; L201-R203 PolarHBondContact O-N 3.36Å; R203-R206 WeakPolarHBondContact O-CB 3.44Å; R203-H225 WeakPolarHBondContact CD-ND1 3.39Å; R203-H225 WeakPolarHBondContact CG-CE1 3.48Å
204H84.3Confident83.5Confident20 Ų2073 Ų739%0.09338%0.379CS..Hα-helixtrans-69.3-38.6175.616964.9000112.6C191 F195 S200 L201 T202 R206 T207 H208C191-H204 PolarHBondContact SG-NE2 3.14Å; F195-H204 HydrophobicContact CD1-CB 4.39Å; F195-H204 HydrophobicContact CE1-CB 3.64Å; F195-H204 AromaticContact CE1-CG 3.85Å; F195-H204 HydrophobicContact CE2-CB 3.81Å; F195-H204 AromaticContact CE2-CD2 3.2Å; F195-H204 WeakPolarHBondContact CE2-CD2 3.38Å; F195-H204 AromaticContact CE2-CG 3.48Å; F195-H204 VanDerWaalsContact CE2-CG 3.48Å; F195-H204 AromaticContact CE2-NE2 3.91Å; F195-H204 HydrophobicContact CZ-CB 3.32Å; F195-H204 AromaticContact CZ-CD2 3.28Å; F195-H204 WeakPolarHBondContact CZ-CD2 3.28Å; F195-H204 AromaticContact CZ-CG 3.04Å; F195-H204 AromaticContact CZ-ND1 3.57Å; F195-H204 AromaticContact CZ-NE2 3.88Å; S200-H204 VanDerWaalsContact O-CB 3.24Å; S200-H204 WeakPolarHBondContact O-CB 3.36Å; S200-H204 PolarHBondContact O-N 2.97Å; L201-H204 CarbonylContact O-C 3.35Å; L201-H204 WeakPolarHBondContact O-CA 3.45Å; L201-H204 WeakPolarHBondContact O-CB 3.3Å; L201-H204 PolarHBondContact O-N 2.55Å; T202-H204 VanDerWaalsContact C-N 3.32Å; T202-H204 PolarHBondContact O-N 3.03Å; H204-R206 PolarHBondContact O-N 3.38Å; H204-R206 VanDerWaalsContact O-N 3.15Å; H204-T207 PolarHBondContact CE1-OG1 3Å; H204-T207 PolarHBondContact ND1-OG1 3.03Å; H204-T207 VanDerWaalsContact O-CB 3.29Å; H204-T207 WeakPolarHBondContact O-CB 3.44Å; H204-T207 WeakPolarHBondContact O-CG2 3.37Å; H204-T207 PolarHBondContact O-N 3.12Å; H204-T207 PolarHBondContact O-OG1 3.5Å; H204-H208 AromaticContact CD2-NE2 3.87Å; H204-H208 AromaticContact CE1-CE1 3.99Å; H204-H208 AromaticContact CE1-NE2 3.5Å; H204-H208 PolarHBondContact CE1-NE2 3.4Å; H204-H208 AromaticContact NE2-CD2 3.95Å; H204-H208 AromaticContact NE2-CE1 3.86Å; H204-H208 AromaticContact NE2-NE2 3.02Å; H204-H208 PolarHBondContact NE2-NE2 3.25Å
205Q84.1Confident83.6Confident62 Ų6273.3 Ų73.329%0.2938%0.377SS..Hα-helixtrans-57.8-29.3178.3-76.3169.1-30.100112.5L201 T202 T207 H208 T209L201-Q205 HydrophobicContact CD1-CG 4.12Å; L201-Q205 HydrophobicContact CG-CG 4.39Å; L201-Q205 WeakPolarHBondContact O-CG 3.2Å; L201-Q205 PolarHBondContact O-N 3.34Å; T202-Q205 PolarHBondContact O-N 3.05Å; Q205-T207 PolarHBondContact O-N 2.88Å; Q205-H208 PolarHBondContact O-N 3.08Å; Q205-T209 PolarHBondContact O-N 3.24Å; Q205-T209 PolarHBondContact O-OG1 3.07Å
206R87.1Confident83.8Confident52 Ų5271.4 Ų71.420%0.19637%0.369CS..Hα-helixtrans-56.4-22.2171.1-59.7179.2-174.2172.50.8113.8T202 R203 H204 H208 T209 G210 E211 S224T202-R206 PolarHBondContact O-N 3.27Å; R203-R206 WeakPolarHBondContact O-CB 3.44Å; H204-R206 PolarHBondContact O-N 3.38Å; H204-R206 VanDerWaalsContact O-N 3.15Å; R206-H208 VanDerWaalsContact C-N 3.32Å; R206-T209 WeakPolarHBondContact CA-OG1 3.48Å; R206-G210 WeakPolarHBondContact O-CA 3.41Å; R206-G210 PolarHBondContact O-N 3.33Å; R206-E211 HydrophobicContact CG-CB 4.32Å; R206-S224 WeakPolarHBondContact CD-O 3.39Å; R206-S224 PolarHBondContact NH1-O 2.84Å
207T83.6Confident84.1Confident81 Ų8175 Ų7550%0.49738%0.378SS..Hα-helixtrans-74.1-23175.667.80000113.2H204 Q205H204-T207 PolarHBondContact CE1-OG1 3Å; H204-T207 PolarHBondContact ND1-OG1 3.03Å; H204-T207 VanDerWaalsContact O-CB 3.29Å; H204-T207 WeakPolarHBondContact O-CB 3.44Å; H204-T207 WeakPolarHBondContact O-CG2 3.37Å; H204-T207 PolarHBondContact O-N 3.12Å; H204-T207 PolarHBondContact O-OG1 3.5Å; Q205-T207 PolarHBondContact O-N 2.88Å
208H84.1Confident84.3Confident76 Ų7678 Ų7835%0.35239%0.39SS..Hα-helixtrans-93.8-45175.9-53.3-53.7000111.3C188 D190 C191 H204 Q205 R206 G210C188-H208 VanDerWaalsContact SG-CD2 3.52Å; C188-H208 PolarHBondContact SG-NE2 3.49Å; D190-H208 HydrophobicContact CB-CB 4.38Å; D190-H208 IonicContact OD2-CD2 2.63Å; D190-H208 PolarHBondContact OD2-CD2 2.92Å; D190-H208 IonicContact OD2-CG 2.84Å; C191-H208 VanDerWaalsContact SG-CE1 3.59Å; C191-H208 PolarHBondContact SG-NE2 3.2Å; C191-H208 VanDerWaalsContact SG-NE2 3.37Å; H204-H208 AromaticContact CD2-NE2 3.87Å; H204-H208 AromaticContact CE1-CE1 3.99Å; H204-H208 AromaticContact CE1-NE2 3.5Å; H204-H208 PolarHBondContact CE1-NE2 3.4Å; H204-H208 AromaticContact NE2-CD2 3.95Å; H204-H208 AromaticContact NE2-CE1 3.86Å; H204-H208 AromaticContact NE2-NE2 3.02Å; H204-H208 PolarHBondContact NE2-NE2 3.25Å; Q205-H208 PolarHBondContact O-N 3.08Å; R206-H208 VanDerWaalsContact C-N 3.32Å; H208-G210 VanDerWaalsContact C-N 3.26Å; H208-G210 PolarHBondContact O-N 3.16Å
209T84.9Confident84.7Confident83 Ų8374.6 Ų74.651%0.50938%0.379SS..Hα-helixtrans-72.9-21.3-18063.90000112.8Q205 R206 E211Q205-T209 PolarHBondContact O-N 3.24Å; Q205-T209 PolarHBondContact O-OG1 3.07Å; R206-T209 WeakPolarHBondContact CA-OG1 3.48Å; T209-E211 PolarHBondContact O-N 3.36Å; T209-E211 WeakPolarHBondContact OG1-CG 3.07Å; T209-E211 PolarHBondContact OG1-N 2.95Å
210G83.3Confident84.9Confident48 Ų4874.2 Ų74.250%0.49539%0.386SS..  trans72.88.6-175.700000113.7R206 H208 K212R206-G210 WeakPolarHBondContact O-CA 3.41Å; R206-G210 PolarHBondContact O-N 3.33Å; H208-G210 VanDerWaalsContact C-N 3.26Å; H208-G210 PolarHBondContact O-N 3.16Å; G210-K212 PolarHBondContact O-N 3.12Å
211E86.1Confident85.2Confident114 Ų11479 Ų7953%0.53340%0.404SS..  trans-57.7130.6177.1-77.3-179.8-177.300111.4R206 T209 S224R206-E211 HydrophobicContact CG-CB 4.32Å; T209-E211 PolarHBondContact O-N 3.36Å; T209-E211 WeakPolarHBondContact OG1-CG 3.07Å; T209-E211 PolarHBondContact OG1-N 2.95Å; E211-S224 WeakPolarHBondContact O-CB 3.44Å
212K87.9Confident85.4Confident124 Ų12480.1 Ų80.154%0.53942%0.415SS..  trans-129.877-179.1-73.9166.5168.4-164.70109.9G210 Y214 A222 F223G210-K212 PolarHBondContact O-N 3.12Å; K212-Y214 PolarHBondContact O-N 3.14Å; K212-Y214 VanDerWaalsContact O-N 3.13Å; K212-A222 HydrophobicContact CB-CB 3.59Å; K212-A222 HydrophobicContact CD-CB 4.27Å; K212-A222 WeakPolarHBondContact CD-O 3.45Å; K212-F223 CarbonylContact C-O 3.49Å; K212-F223 VanDerWaalsContact C-O 3.26Å; K212-F223 VanDerWaalsContact CA-O 3.28Å; K212-F223 WeakPolarHBondContact CA-O 3.35Å
213P87.6Confident85.7Confident67 Ų6780 Ų8044%0.43541%0.41SS..  trans-68.4-11.4-172.3-21.234.8000114.7
214Y87.3Confident85.7Confident71 Ų7176.4 Ų76.428%0.27840%0.401SS..EExtended strand (participates in β ladder)trans-112.4101.1-172.6-55.2-72.6000110.5K212 A222 F223 R226K212-Y214 PolarHBondContact O-N 3.14Å; K212-Y214 VanDerWaalsContact O-N 3.13Å; Y214-A222 CarbonylContact O-C 3.52Å; Y214-A222 WeakPolarHBondContact O-CA 3.31Å; Y214-F223 PolarHBondContact N-O 3.24Å; Y214-F223 VanDerWaalsContact N-O 3.15Å; Y214-F223 PolarHBondContact O-N 3.37Å; Y214-R226 HydrophobicContact CD1-CB 4.11Å; Y214-R226 HydrophobicContact CD1-CG 4.22Å; Y214-R226 HydrophobicContact CD2-CB 4.38Å; Y214-R226 VanDerWaalsContact CD2-N 3.33Å; Y214-R226 HydrophobicContact CE1-CB 3.86Å; Y214-R226 HydrophobicContact CE1-CG 4.12Å; Y214-R226 HydrophobicContact CE2-CB 4.1Å; Y214-R226 VanDerWaalsContact CE2-N 3.32Å; Y214-R226 HydrophobicContact CG-CB 4.35Å
215D86.6Confident85.6Confident92 Ų9278 Ų7849%0.49241%0.409SS..EExtended strand (participates in β ladder)trans-94.6144.8178.365.1-71.6000113.1A222 L229D215-A222 HydrophobicContact CB-CB 4.47Å; D215-L229 WeakPolarHBondContact O-CD2 3.24Å
216C88.6Confident85.4Confident0 Ų080.9 Ų80.90%042%0.417CS..  trans-86.6115.7168.8175.50000109.1E218 C219 G220 K221 F223 L229 H232 L233 H236C216-E218 PolarHBondContact O-N 3.28Å; C216-C219 PolarHBondContact O-N 2.97Å; C216-C219 VanDerWaalsContact SG-SG 3.62Å; C216-G220 WeakPolarHBondContact O-CA 3.5Å; C216-G220 PolarHBondContact O-N 3.5Å; C216-K221 WeakPolarHBondContact CB-O 3.34Å; C216-K221 PolarHBondContact N-O 3.5Å; C216-F223 HydrophobicContact CB-CE2 4.45Å; C216-L229 HydrophobicContact CB-CD1 3.7Å; C216-H232 PolarHBondContact SG-NE2 3.34Å; C216-L233 HydrophobicContact CB-CD2 4.46Å; C216-H236 PolarHBondContact SG-NE2 3.42Å
217R85.9Confident85Confident237 Ų23782 Ų8289%0.89443%0.432SS*.THydrogen-bonded Turntrans-64.4-25.1179.6-64.7-173.3176.8-175.4-0.6113.9
218E84.7Confident85Confident131 Ų13179.2 Ų79.261%0.61242%0.417SS*.THydrogen-bonded Turntrans-80.1-35.5-177.8-66.5174.9-149.300113.4C216 H236C216-E218 PolarHBondContact O-N 3.28Å; E218-H236 WeakPolarHBondContact OE2-CB 3.22Å; E218-H236 IonicContact OE2-CD2 3.08Å; E218-H236 PolarHBondContact OE2-CD2 2.94Å; E218-H236 VanDerWaalsContact OE2-CD2 3.3Å; E218-H236 IonicContact OE2-CG 3.91Å
219C85.6Confident85Confident53 Ų5376.7 Ų76.736%0.35841%0.406SS..THydrogen-bonded Turntrans-129.14.7-175.6770000114.9C216 K221 H232C216-C219 PolarHBondContact O-N 2.97Å; C216-C219 VanDerWaalsContact SG-SG 3.62Å; C219-K221 PolarHBondContact O-N 3.18Å; C219-K221 VanDerWaalsContact O-N 3.12Å; C219-K221 VanDerWaalsContact SG-CG 3.57Å; C219-H232 PolarHBondContact SG-NE2 3.34Å
220G83.4Confident84.8Confident61 Ų6174 Ų7463%0.62939%0.391SS*.  trans68.44.8178.700000115.1C216 A222C216-G220 WeakPolarHBondContact O-CA 3.5Å; C216-G220 PolarHBondContact O-N 3.5Å; G220-A222 PolarHBondContact O-N 3.12Å
221K85.9Confident84.6Confident124 Ų12477.9 Ų77.954%0.53939%0.39SS..  trans-73.9129.2179.9-72.9178.5-174.5167.60110.8C216 C219 F223C216-K221 WeakPolarHBondContact CB-O 3.34Å; C216-K221 PolarHBondContact N-O 3.5Å; C219-K221 PolarHBondContact O-N 3.18Å; C219-K221 VanDerWaalsContact O-N 3.12Å; C219-K221 VanDerWaalsContact SG-CG 3.57Å; K221-F223 HydrophobicContact CB-CE2 3.9Å; K221-F223 HydrophobicContact CB-CZ 4.01Å; K221-F223 VanDerWaalsContact O-CE2 3.28Å; K221-F223 WeakPolarHBondContact O-CE2 3.4Å
222A89Confident84.5Confident35 Ų3573.4 Ų73.429%0.28937%0.369SS..EExtended strand (participates in β ladder)trans-104.5145.6178.900000113.2K212 Y214 D215 G220K212-A222 HydrophobicContact CB-CB 3.59Å; K212-A222 HydrophobicContact CD-CB 4.27Å; K212-A222 WeakPolarHBondContact CD-O 3.45Å; Y214-A222 CarbonylContact O-C 3.52Å; Y214-A222 WeakPolarHBondContact O-CA 3.31Å; D215-A222 HydrophobicContact CB-CB 4.47Å; G220-A222 PolarHBondContact O-N 3.12Å
223F86.1Confident84.1Confident44 Ų4470.4 Ų70.419%0.19336%0.359CS..EExtended strand (participates in β ladder)trans-129.1147.2-175.3-58-90000111.2K212 Y214 C216 K221 H225 L229 H232K212-F223 CarbonylContact C-O 3.49Å; K212-F223 VanDerWaalsContact C-O 3.26Å; K212-F223 VanDerWaalsContact CA-O 3.28Å; K212-F223 WeakPolarHBondContact CA-O 3.35Å; Y214-F223 PolarHBondContact N-O 3.24Å; Y214-F223 VanDerWaalsContact N-O 3.15Å; Y214-F223 PolarHBondContact O-N 3.37Å; C216-F223 HydrophobicContact CB-CE2 4.45Å; K221-F223 HydrophobicContact CB-CE2 3.9Å; K221-F223 HydrophobicContact CB-CZ 4.01Å; K221-F223 VanDerWaalsContact O-CE2 3.28Å; K221-F223 WeakPolarHBondContact O-CE2 3.4Å; F223-H225 VanDerWaalsContact C-N 3.33Å; F223-L229 HydrophobicContact CB-CB 4.27Å; F223-L229 HydrophobicContact CD2-CB 3.86Å; F223-L229 HydrophobicContact CD2-CD1 3.75Å; F223-L229 HydrophobicContact CD2-CG 4.42Å; F223-L229 HydrophobicContact CE2-CD1 3.92Å; F223-L229 HydrophobicContact CG-CB 4.24Å; F223-H232 HydrophobicContact CE1-CB 3.85Å; F223-H232 HydrophobicContact CE2-CB 3.77Å; F223-H232 AromaticContact CE2-CD2 3.28Å; F223-H232 WeakPolarHBondContact CE2-CD2 3.21Å; F223-H232 AromaticContact CE2-CG 3.59Å; F223-H232 HydrophobicContact CZ-CB 3.32Å; F223-H232 AromaticContact CZ-CD2 3.37Å; F223-H232 WeakPolarHBondContact CZ-CD2 3.37Å; F223-H232 AromaticContact CZ-CG 3.18Å; F223-H232 AromaticContact CZ-ND1 3.87Å
224S84.4Confident83.5Confident29 Ų2968 Ų6820%0.20334%0.342CS..SBendtrans-79.1-17.7177.649.40000113.4R206 E211R206-S224 WeakPolarHBondContact CD-O 3.39Å; R206-S224 PolarHBondContact NH1-O 2.84Å; E211-S224 WeakPolarHBondContact O-CB 3.44Å
225H81.8Confident83Confident53 Ų5368 Ų6825%0.24535%0.352CS..SBendtrans-129.3139.7-179.7-57.9-101000111.4R203 F223 S227 S228 L229R203-H225 WeakPolarHBondContact CD-ND1 3.39Å; R203-H225 WeakPolarHBondContact CG-CE1 3.48Å; F223-H225 VanDerWaalsContact C-N 3.33Å; H225-S227 PolarHBondContact O-N 2.79Å; H225-S228 WeakPolarHBondContact O-CB 3.4Å; H225-S228 PolarHBondContact O-N 3.23Å; H225-L229 PolarHBondContact O-N 3.11Å; H225-L229 VanDerWaalsContact O-N 3.14Å
226R78.8Confident82.5Confident123 Ų12367 Ų6746%0.46434%0.344SS..Hα-helixtrans-62.1-40.7177-164.1174-176.9168.32.2112.3E41 Y214 S228 L229 S230E41-R226 IonicContact OE1-CZ 3.07Å; E41-R226 IonicContact OE1-NE 3.05Å; E41-R226 PolarHBondContact OE1-NE 3.18Å; E41-R226 VanDerWaalsContact OE1-NE 3.08Å; E41-R226 IonicContact OE1-NH2 3.71Å; E41-R226 PolarHBondContact OE1-NH2 3.29Å; E41-R226 VanDerWaalsContact OE2-CD 3.24Å; E41-R226 WeakPolarHBondContact OE2-CD 3.22Å; E41-R226 IonicContact OE2-CZ 3.93Å; E41-R226 IonicContact OE2-NE 3.34Å; E41-R226 PolarHBondContact OE2-NE 3.13Å; E41-R226 IonicContact OE2-NH2 3.54Å; Y214-R226 HydrophobicContact CD1-CB 4.11Å; Y214-R226 HydrophobicContact CD1-CG 4.22Å; Y214-R226 HydrophobicContact CD2-CB 4.38Å; Y214-R226 VanDerWaalsContact CD2-N 3.33Å; Y214-R226 HydrophobicContact CE1-CB 3.86Å; Y214-R226 HydrophobicContact CE1-CG 4.12Å; Y214-R226 HydrophobicContact CE2-CB 4.1Å; Y214-R226 VanDerWaalsContact CE2-N 3.32Å; Y214-R226 HydrophobicContact CG-CB 4.35Å; R226-S228 PolarHBondContact O-N 3.23Å; R226-L229 WeakPolarHBondContact O-CB 3.49Å; R226-L229 PolarHBondContact O-N 2.79Å; R226-L229 VanDerWaalsContact O-N 3.13Å; R226-S230 PolarHBondContact O-N 3.08Å
227S79.9Confident81.7Confident75 Ų7570.3 Ų70.352%0.52437%0.365SS..Hα-helixtrans-59.9-30.8173.158.40000113.3H225 R231H225-S227 PolarHBondContact O-N 2.79Å; S227-R231 WeakPolarHBondContact O-CB 3.01Å; S227-R231 PolarHBondContact O-N 2.83Å
228S83.1Confident80.8Confident24 Ų2461.9 Ų61.917%0.16835%0.352CS..Hα-helixtrans-75.8-37.1175.9-66.20000112.2H225 R226 H232H225-S228 WeakPolarHBondContact O-CB 3.4Å; H225-S228 PolarHBondContact O-N 3.23Å; R226-S228 PolarHBondContact O-N 3.23Å; S228-H232 WeakPolarHBondContact O-CB 3.45Å; S228-H232 PolarHBondContact O-N 3.2Å
229L84.4Confident80Confident23 Ų2361.2 Ų61.212%0.1235%0.349CS..Hα-helixtrans-63.2-48.9169.5173.262.7000110.6D215 C216 F223 H225 R226 R231 H232 L233D215-L229 WeakPolarHBondContact O-CD2 3.24Å; C216-L229 HydrophobicContact CB-CD1 3.7Å; F223-L229 HydrophobicContact CB-CB 4.27Å; F223-L229 HydrophobicContact CD2-CB 3.86Å; F223-L229 HydrophobicContact CD2-CD1 3.75Å; F223-L229 HydrophobicContact CD2-CG 4.42Å; F223-L229 HydrophobicContact CE2-CD1 3.92Å; F223-L229 HydrophobicContact CG-CB 4.24Å; H225-L229 PolarHBondContact O-N 3.11Å; H225-L229 VanDerWaalsContact O-N 3.14Å; R226-L229 WeakPolarHBondContact O-CB 3.49Å; R226-L229 PolarHBondContact O-N 2.79Å; R226-L229 VanDerWaalsContact O-N 3.13Å; L229-R231 PolarHBondContact O-N 3.44Å; L229-H232 CarbonylContact O-C 3.59Å; L229-H232 WeakPolarHBondContact O-CA 3.48Å; L229-H232 WeakPolarHBondContact O-CB 3.32Å; L229-H232 PolarHBondContact O-N 2.79Å; L229-L233 HydrophobicContact CD1-CD1 4.41Å; L229-L233 HydrophobicContact CD1-CD2 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.1Å; L229-L233 HydrophobicContact CG-CD1 4.22Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 2.99Å
230S81.1Confident79.2Confident27 Ų2760 Ų6019%0.18934%0.341CS..Hα-helixtrans-55.2-49.5177.7177.70000111.4R226 H232 L233 M234R226-S230 PolarHBondContact O-N 3.08Å; S230-H232 VanDerWaalsContact C-N 3.25Å; S230-H232 PolarHBondContact O-N 3.39Å; S230-L233 PolarHBondContact O-N 3.12Å; S230-M234 WeakPolarHBondContact O-CG 3.27Å; S230-M234 PolarHBondContact O-N 3.13Å
231R79Confident78.7Confident128 Ų12859 Ų5948%0.48332%0.323SS..Hα-helixtrans-58.8-35.3172.9177.7171.859.5-172.2-5.6113.3S227 L229 F252S227-R231 WeakPolarHBondContact O-CB 3.01Å; S227-R231 PolarHBondContact O-N 2.83Å; L229-R231 PolarHBondContact O-N 3.44Å; R231-F252 HydrophobicContact CG-CB 3.87Å; R231-F252 HydrophobicContact CG-CD1 4.19Å; R231-F252 HydrophobicContact CG-CD2 4.16Å; R231-F252 HydrophobicContact CG-CG 3.8Å
232H82.9Confident78.4Confident21 Ų2156.2 Ų56.210%0.09731%0.31CS..Hα-helixtrans-72-38.6177.5167.759.4000112.5C216 C219 F223 S228 L229 S230 M234 S235 H236C216-H232 PolarHBondContact SG-NE2 3.34Å; C219-H232 PolarHBondContact SG-NE2 3.34Å; F223-H232 HydrophobicContact CE1-CB 3.85Å; F223-H232 HydrophobicContact CE2-CB 3.77Å; F223-H232 AromaticContact CE2-CD2 3.28Å; F223-H232 WeakPolarHBondContact CE2-CD2 3.21Å; F223-H232 AromaticContact CE2-CG 3.59Å; F223-H232 HydrophobicContact CZ-CB 3.32Å; F223-H232 AromaticContact CZ-CD2 3.37Å; F223-H232 WeakPolarHBondContact CZ-CD2 3.37Å; F223-H232 AromaticContact CZ-CG 3.18Å; F223-H232 AromaticContact CZ-ND1 3.87Å; S228-H232 WeakPolarHBondContact O-CB 3.45Å; S228-H232 PolarHBondContact O-N 3.2Å; L229-H232 CarbonylContact O-C 3.59Å; L229-H232 WeakPolarHBondContact O-CA 3.48Å; L229-H232 WeakPolarHBondContact O-CB 3.32Å; L229-H232 PolarHBondContact O-N 2.79Å; S230-H232 VanDerWaalsContact C-N 3.25Å; S230-H232 PolarHBondContact O-N 3.39Å; H232-M234 PolarHBondContact O-N 3.39Å; H232-S235 PolarHBondContact ND1-OG 3.4Å; H232-S235 WeakPolarHBondContact O-CB 3.29Å; H232-S235 PolarHBondContact O-N 2.78Å; H232-S235 PolarHBondContact O-OG 3.48Å; H232-H236 AromaticContact CD2-NE2 4Å; H232-H236 AromaticContact CE1-CE1 3.74Å; H232-H236 AromaticContact CE1-NE2 3.35Å; H232-H236 PolarHBondContact CE1-NE2 3.26Å; H232-H236 VanDerWaalsContact CE1-NE2 3.35Å; H232-H236 AromaticContact NE2-CD2 3.99Å; H232-H236 AromaticContact NE2-CE1 3.87Å; H232-H236 AromaticContact NE2-NE2 3.09Å; H232-H236 PolarHBondContact NE2-NE2 3.37Å
233L79.7Confident78.1Confident60 Ų6060 Ų6031%0.31432%0.321SS..Hα-helixtrans-59.5-33.6178-68.6173.3000111.9C216 L229 S230 S235 H236 T237C216-L233 HydrophobicContact CB-CD2 4.46Å; L229-L233 HydrophobicContact CD1-CD1 4.41Å; L229-L233 HydrophobicContact CD1-CD2 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.1Å; L229-L233 HydrophobicContact CG-CD1 4.22Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 2.99Å; S230-L233 PolarHBondContact O-N 3.12Å; L233-S235 PolarHBondContact O-N 3.41Å; L233-S235 VanDerWaalsContact O-N 3.11Å; L233-H236 PolarHBondContact O-N 3.43Å; L233-T237 PolarHBondContact O-N 2.91Å
234M76.2Confident78.1Confident16 Ų1657.9 Ų57.98%0.07931%0.312CS..Hα-helixtrans-58.5-23.9172.5-57.5-56.7-170.800114.1I34 S230 H232 H236 G238 P241 F252I34-M234 HydrophobicContact CB-CE 3.67Å; I34-M234 HydrophobicContact CD1-CE 3.56Å; I34-M234 HydrophobicContact CD1-SD 3.45Å; I34-M234 WeakPolarHBondContact CD1-SD 3.41Å; I34-M234 HydrophobicContact CG1-CE 4.2Å; I34-M234 HydrophobicContact CG2-CE 3.22Å; I34-M234 HydrophobicContact CG2-SD 4.43Å; S230-M234 WeakPolarHBondContact O-CG 3.27Å; S230-M234 PolarHBondContact O-N 3.13Å; H232-M234 PolarHBondContact O-N 3.39Å; M234-H236 VanDerWaalsContact C-N 3.28Å; M234-G238 PolarHBondContact O-N 3.15Å; M234-G238 VanDerWaalsContact O-N 3.09Å; M234-P241 HydrophobicContact CE-CG 4.26Å; M234-F252 HydrophobicContact CB-CD1 3.56Å; M234-F252 HydrophobicContact CB-CE1 3.47Å; M234-F252 VanDerWaalsContact CB-CE1 3.47Å; M234-F252 HydrophobicContact CG-CD1 4.09Å; M234-F252 HydrophobicContact CG-CE1 4.47Å
235S75.9Confident78.1Confident71 Ų7161.8 Ų61.850%0.49734%0.339SS..Hα-helixtrans-75.4-17.3175.970.30000113.6H232 L233H232-S235 PolarHBondContact ND1-OG 3.4Å; H232-S235 WeakPolarHBondContact O-CB 3.29Å; H232-S235 PolarHBondContact O-N 2.78Å; H232-S235 PolarHBondContact O-OG 3.48Å; L233-S235 PolarHBondContact O-N 3.41Å; L233-S235 VanDerWaalsContact O-N 3.11Å
236H76.7Confident78.3Confident71 Ų7163.9 Ų63.933%0.32936%0.355SS..Hα-helixtrans-90.8-42.5174.4-59.6-53.1000111.7C216 E218 H232 L233 M234 G238C216-H236 PolarHBondContact SG-NE2 3.42Å; E218-H236 WeakPolarHBondContact OE2-CB 3.22Å; E218-H236 IonicContact OE2-CD2 3.08Å; E218-H236 PolarHBondContact OE2-CD2 2.94Å; E218-H236 VanDerWaalsContact OE2-CD2 3.3Å; E218-H236 IonicContact OE2-CG 3.91Å; H232-H236 AromaticContact CD2-NE2 4Å; H232-H236 AromaticContact CE1-CE1 3.74Å; H232-H236 AromaticContact CE1-NE2 3.35Å; H232-H236 PolarHBondContact CE1-NE2 3.26Å; H232-H236 VanDerWaalsContact CE1-NE2 3.35Å; H232-H236 AromaticContact NE2-CD2 3.99Å; H232-H236 AromaticContact NE2-CE1 3.87Å; H232-H236 AromaticContact NE2-NE2 3.09Å; H232-H236 PolarHBondContact NE2-NE2 3.37Å; L233-H236 PolarHBondContact O-N 3.43Å; M234-H236 VanDerWaalsContact C-N 3.28Å; H236-G238 VanDerWaalsContact C-N 3.32Å
237T72Confident78.6Confident71 Ų7160.5 Ų60.544%0.43635%0.35SS..Hα-helixtrans-75-23.4-179.661.20000112.7L233 E239L233-T237 PolarHBondContact O-N 2.91Å; T237-E239 PolarHBondContact O-N 3.04Å; T237-E239 VanDerWaalsContact O-N 3.15Å; T237-E239 PolarHBondContact OG1-N 2.85Å
238G66.9Low78.7Confident60 Ų6060.8 Ų60.862%0.61935%0.352SS*.  trans70.9-1.4-173.100000113.5M234 H236 S240M234-G238 PolarHBondContact O-N 3.15Å; M234-G238 VanDerWaalsContact O-N 3.09Å; H236-G238 VanDerWaalsContact C-N 3.32Å; G238-S240 PolarHBondContact O-N 3.49Å
239E67.3Low78.5Confident117 Ų11765.5 Ų65.555%0.54737%0.369SS..  trans-79.7114.2177.2-63.7-173.8166.100109.2T237T237-E239 PolarHBondContact O-N 3.04Å; T237-E239 VanDerWaalsContact O-N 3.15Å; T237-E239 PolarHBondContact OG1-N 2.85Å
240S68.6Low78.4Confident28 Ų2867 Ų6720%0.19639%0.385CS..  trans-112.2127.617277.80000109.6G238 Y242 A250 F251G238-S240 PolarHBondContact O-N 3.49Å; S240-Y242 PolarHBondContact O-N 3.33Å; S240-Y242 VanDerWaalsContact O-N 3.07Å; S240-A250 VanDerWaalsContact CB-CB 3.41Å; S240-A250 WeakPolarHBondContact OG-CA 3.44Å; S240-A250 WeakPolarHBondContact OG-CB 3.45Å; S240-F251 WeakPolarHBondContact CB-O 3.48Å; S240-F251 PolarHBondContact OG-N 2.94Å
241P73Confident78.3Confident38 Ų3867.4 Ų67.425%0.24738%0.384CS..SBendtrans-65.7-13.8-179-20.731.4000114.2V32 Q35 M234V32-P241 HydrophobicContact CG2-CB 4.37Å; V32-P241 HydrophobicContact CG2-CG 4.42Å; Q35-P241 HydrophobicContact CG-CB 4.43Å; Q35-P241 HydrophobicContact CG-CG 4.49Å; M234-P241 HydrophobicContact CE-CG 4.26Å
242Y79.2Confident78.1Confident67 Ų6766 Ų6626%0.26338%0.381SS..EExtended strand (participates in β ladder)trans-130.399.2-174.5-54.6-72.5000110.7Q35 S240 F251 R254Q35-Y242 PolarHBondContact NE2-OH 3.5Å; S240-Y242 PolarHBondContact O-N 3.33Å; S240-Y242 VanDerWaalsContact O-N 3.07Å; Y242-F251 PolarHBondContact N-O 3.07Å; Y242-F251 PolarHBondContact O-N 3.3Å; Y242-R254 HydrophobicContact CD1-CB 4.04Å; Y242-R254 HydrophobicContact CD1-CG 4.38Å; Y242-R254 HydrophobicContact CE1-CB 3.83Å; Y242-R254 HydrophobicContact CE1-CG 4.31Å; Y242-R254 HydrophobicContact CE2-CB 4.42Å; Y242-R254 HydrophobicContact CG-CB 4.44Å
243E82.7Confident77.7Confident114 Ų11467.7 Ų67.753%0.53339%0.391SS..EExtended strand (participates in β ladder)trans-97.3140.9176.5-168.1-178.2162.400111.6S245 S248E243-S245 PolarHBondContact O-N 2.87Å; E243-S248 WeakPolarHBondContact OE1-CA 3.34Å; E243-S248 WeakPolarHBondContact OE1-CB 3.36Å; E243-S248 PolarHBondContact OE1-OG 3.45Å
244C86.3Confident77.7Confident0 Ų073.4 Ų73.40%041%0.408CS..  trans-78.9115.9170.9-179.70000111.1V246 C247 S248 K249 F251 L257 H264C244-V246 PolarHBondContact O-N 2.83Å; C244-C247 PolarHBondContact O-N 2.95Å; C244-S248 VanDerWaalsContact O-CA 3.24Å; C244-S248 WeakPolarHBondContact O-CA 3.42Å; C244-S248 PolarHBondContact O-N 2.8Å; C244-K249 HydrophobicContact CB-CB 4.46Å; C244-K249 WeakPolarHBondContact CB-O 3.42Å; C244-K249 PolarHBondContact N-O 3.5Å; C244-F251 HydrophobicContact CB-CE2 4.23Å; C244-L257 HydrophobicContact CB-CD1 3.68Å; C244-H264 VanDerWaalsContact SG-CD2 3.59Å; C244-H264 PolarHBondContact SG-NE2 2.76Å
245S84.3Confident78Confident110 Ų11076.8 Ų76.877%0.76943%0.433SS*.THydrogen-bonded Turntrans-59.3-17.3178.455.80000115.8E243E243-S245 PolarHBondContact O-N 2.87Å
246V86.3Confident78.3Confident97 Ų9775.7 Ų75.759%0.58843%0.426SS*.THydrogen-bonded Turntrans-94.3-33.5-176.3-178.30000112.7C244 H264C244-V246 PolarHBondContact O-N 2.83Å; V246-H264 HydrophobicContact CG1-CB 4.39Å; V246-H264 HydrophobicContact CG2-CB 4.5Å
247C85.5Confident78.8Confident52 Ų5273.1 Ų73.135%0.35141%0.414SS..THydrogen-bonded Turntrans-135.811.2-17470.50000114.1C244 K249 H260 H264C244-C247 PolarHBondContact O-N 2.95Å; C247-K249 PolarHBondContact O-N 3.02Å; C247-H260 PolarHBondContact SG-NE2 3.27Å; C247-H264 PolarHBondContact SG-NE2 3.15Å; C247-H264 VanDerWaalsContact SG-NE2 3.4Å
248S82.2Confident79.4Confident81 Ų8172.5 Ų72.557%0.56641%0.411SS*.  trans51.924-179.7-68.60000114.7E243 C244 A250E243-S248 WeakPolarHBondContact OE1-CA 3.34Å; E243-S248 WeakPolarHBondContact OE1-CB 3.36Å; E243-S248 PolarHBondContact OE1-OG 3.45Å; C244-S248 VanDerWaalsContact O-CA 3.24Å; C244-S248 WeakPolarHBondContact O-CA 3.42Å; C244-S248 PolarHBondContact O-N 2.8Å; S248-A250 PolarHBondContact O-N 3.37Å
249K78Confident80.3Confident123 Ų12371.9 Ų71.954%0.53540%0.395SS..  trans-75.9128.1174.3-79-176-179.8177.20110.3C244 C247 F251C244-K249 HydrophobicContact CB-CB 4.46Å; C244-K249 WeakPolarHBondContact CB-O 3.42Å; C244-K249 PolarHBondContact N-O 3.5Å; C247-K249 PolarHBondContact O-N 3.02Å; K249-F251 HydrophobicContact CB-CE2 3.73Å; K249-F251 HydrophobicContact CB-CZ 4.04Å; K249-F251 VanDerWaalsContact O-CD2 3.27Å; K249-F251 WeakPolarHBondContact O-CD2 3.2Å; K249-F251 VanDerWaalsContact O-CE2 3.24Å; K249-F251 WeakPolarHBondContact O-CE2 3.47Å
250A82.1Confident81.2Confident54 Ų5467 Ų6745%0.44637%0.372SS..EExtended strand (participates in β ladder)trans-82.2133179.700000112.8S240 S248S240-A250 VanDerWaalsContact CB-CB 3.41Å; S240-A250 WeakPolarHBondContact OG-CA 3.44Å; S240-A250 WeakPolarHBondContact OG-CB 3.45Å; S248-A250 PolarHBondContact O-N 3.37Å
251F80Confident82Confident37 Ų3769.3 Ų69.316%0.16238%0.38CS..EExtended strand (participates in β ladder)trans-130.7145.5176.8-62.8-87.1000112S240 Y242 C244 K249 L257 H260S240-F251 WeakPolarHBondContact CB-O 3.48Å; S240-F251 PolarHBondContact OG-N 2.94Å; Y242-F251 PolarHBondContact N-O 3.07Å; Y242-F251 PolarHBondContact O-N 3.3Å; C244-F251 HydrophobicContact CB-CE2 4.23Å; K249-F251 HydrophobicContact CB-CE2 3.73Å; K249-F251 HydrophobicContact CB-CZ 4.04Å; K249-F251 VanDerWaalsContact O-CD2 3.27Å; K249-F251 WeakPolarHBondContact O-CD2 3.2Å; K249-F251 VanDerWaalsContact O-CE2 3.24Å; K249-F251 WeakPolarHBondContact O-CE2 3.47Å; F251-L257 HydrophobicContact CB-CB 4.1Å; F251-L257 HydrophobicContact CD2-CB 4.01Å; F251-L257 HydrophobicContact CD2-CD1 3.67Å; F251-L257 HydrophobicContact CD2-CG 4.44Å; F251-L257 HydrophobicContact CE2-CD1 4Å; F251-L257 HydrophobicContact CG-CB 4.13Å; F251-H260 HydrophobicContact CE1-CB 3.7Å; F251-H260 AromaticContact CE1-CG 3.94Å; F251-H260 HydrophobicContact CE2-CB 3.78Å; F251-H260 AromaticContact CE2-CD2 3.34Å; F251-H260 WeakPolarHBondContact CE2-CD2 3.28Å; F251-H260 AromaticContact CE2-CG 3.46Å; F251-H260 VanDerWaalsContact CE2-CG 3.46Å; F251-H260 AromaticContact CE2-NE2 3.99Å; F251-H260 HydrophobicContact CZ-CB 3.29Å; F251-H260 AromaticContact CZ-CD2 3.45Å; F251-H260 VanDerWaalsContact CZ-CD2 3.45Å; F251-H260 WeakPolarHBondContact CZ-CD2 3.45Å; F251-H260 AromaticContact CZ-CE1 3.98Å; F251-H260 AromaticContact CZ-CG 3.05Å; F251-H260 AromaticContact CZ-ND1 3.43Å; F251-H260 WeakPolarHBondContact CZ-ND1 3.31Å
252F74.1Confident82.7Confident97 Ų9770.1 Ų70.143%0.42538%0.378SS..SBendtrans-81.5-22.9-177.7-52.8-70.8000113.6R231 M234R231-F252 HydrophobicContact CG-CB 3.87Å; R231-F252 HydrophobicContact CG-CD1 4.19Å; R231-F252 HydrophobicContact CG-CD2 4.16Å; R231-F252 HydrophobicContact CG-CG 3.8Å; M234-F252 HydrophobicContact CB-CD1 3.56Å; M234-F252 HydrophobicContact CB-CE1 3.47Å; M234-F252 VanDerWaalsContact CB-CE1 3.47Å; M234-F252 HydrophobicContact CG-CD1 4.09Å; M234-F252 HydrophobicContact CG-CE1 4.47Å
253D75.8Confident83Confident57 Ų5771.6 Ų71.631%0.30539%0.389SS..SBendtrans-137.4153.9176.763.649.2000111.6S255 S256 L257D253-S255 VanDerWaalsContact C-N 3.26Å; D253-S255 PolarHBondContact O-N 2.83Å; D253-S255 PolarHBondContact OD1-N 2.65Å; D253-S256 PolarHBondContact O-N 3.09Å; D253-S256 WeakPolarHBondContact OD1-CA 3.43Å; D253-S256 WeakPolarHBondContact OD1-CB 3.48Å; D253-S256 PolarHBondContact OD1-N 3.49Å; D253-S256 PolarHBondContact OD1-OG 3.37Å; D253-S256 PolarHBondContact OD2-OG 3.07Å; D253-L257 PolarHBondContact O-N 3.46Å
254R79.7Confident83.1Confident180 Ų18069.7 Ų69.768%0.67938%0.38SS*.Hα-helixtrans-62.8-34.9-179.1-168.8173.8179.5145.3-0.4111.8Y242 S256 L257 T258Y242-R254 HydrophobicContact CD1-CB 4.04Å; Y242-R254 HydrophobicContact CD1-CG 4.38Å; Y242-R254 HydrophobicContact CE1-CB 3.83Å; Y242-R254 HydrophobicContact CE1-CG 4.31Å; Y242-R254 HydrophobicContact CE2-CB 4.42Å; Y242-R254 HydrophobicContact CG-CB 4.44Å; R254-S256 PolarHBondContact O-N 3.06Å; R254-L257 PolarHBondContact O-N 3.37Å; R254-T258 PolarHBondContact O-N 3.09Å; R254-T258 PolarHBondContact O-OG1 3.41Å
255S81.8Confident83.1Confident87 Ų8773.8 Ų73.861%0.60841%0.405SS*.Hα-helixtrans-62.7-42.2179.7-55.70000112.2D253 T258 V259D253-S255 VanDerWaalsContact C-N 3.26Å; D253-S255 PolarHBondContact O-N 2.83Å; D253-S255 PolarHBondContact OD1-N 2.65Å; S255-T258 PolarHBondContact O-N 2.84Å; S255-V259 WeakPolarHBondContact O-CG2 3.43Å; S255-V259 PolarHBondContact O-N 2.79Å
256S83.1Confident83Confident49 Ų4970.6 Ų70.634%0.34339%0.39SS..Hα-helixtrans-67.1-40.9176.8-61.40000110.9D253 R254 V259 H260D253-S256 PolarHBondContact O-N 3.09Å; D253-S256 WeakPolarHBondContact OD1-CA 3.43Å; D253-S256 WeakPolarHBondContact OD1-CB 3.48Å; D253-S256 PolarHBondContact OD1-N 3.49Å; D253-S256 PolarHBondContact OD1-OG 3.37Å; D253-S256 PolarHBondContact OD2-OG 3.07Å; R254-S256 PolarHBondContact O-N 3.06Å; S256-V259 PolarHBondContact O-N 2.91Å; S256-H260 VanDerWaalsContact O-CB 3.26Å; S256-H260 WeakPolarHBondContact O-CB 3.42Å; S256-H260 PolarHBondContact O-N 3.15Å
257L85.6Confident83Confident16 Ų1671.6 Ų71.68%0.08439%0.388CS..Hα-helixtrans-60.9-45.9172174.861.2000111.2C244 F251 D253 R254 V259 H260 Q261C244-L257 HydrophobicContact CB-CD1 3.68Å; F251-L257 HydrophobicContact CB-CB 4.1Å; F251-L257 HydrophobicContact CD2-CB 4.01Å; F251-L257 HydrophobicContact CD2-CD1 3.67Å; F251-L257 HydrophobicContact CD2-CG 4.44Å; F251-L257 HydrophobicContact CE2-CD1 4Å; F251-L257 HydrophobicContact CG-CB 4.13Å; D253-L257 PolarHBondContact O-N 3.46Å; R254-L257 PolarHBondContact O-N 3.37Å; L257-V259 PolarHBondContact O-N 3.13Å; L257-H260 CarbonylContact O-C 3.49Å; L257-H260 WeakPolarHBondContact O-CB 3.38Å; L257-H260 PolarHBondContact O-N 2.95Å; L257-H260 VanDerWaalsContact O-N 3.14Å; L257-Q261 HydrophobicContact CD1-CG 4.07Å; L257-Q261 HydrophobicContact CG-CG 4.36Å; L257-Q261 WeakPolarHBondContact O-CG 3.45Å; L257-Q261 PolarHBondContact O-N 3.07Å
258T85.6Confident83.1Confident59 Ų5974 Ų7436%0.36239%0.393SS..Hα-helixtrans-61-43.8178.1-60.50000112R254 S255 H260 Q261R254-T258 PolarHBondContact O-N 3.09Å; R254-T258 PolarHBondContact O-OG1 3.41Å; S255-T258 PolarHBondContact O-N 2.84Å; T258-H260 VanDerWaalsContact C-N 3.31Å; T258-H260 PolarHBondContact O-N 3.47Å; T258-Q261 PolarHBondContact O-N 2.8Å
259V85.3Confident83.4Confident46 Ų4673.7 Ų73.728%0.27939%0.389SS..Hα-helixtrans-65.1-38.6175173.90000110.8S255 S256 L257 R262 F280 D281S255-V259 WeakPolarHBondContact O-CG2 3.43Å; S255-V259 PolarHBondContact O-N 2.79Å; S256-V259 PolarHBondContact O-N 2.91Å; L257-V259 PolarHBondContact O-N 3.13Å; V259-R262 WeakPolarHBondContact O-CB 3.5Å; V259-R262 PolarHBondContact O-N 3.09Å; V259-F280 HydrophobicContact CG1-CB 4.47Å; V259-D281 HydrophobicContact CG1-CB 4.2Å
260H86.6Confident84Confident16 Ų1670.6 Ų70.67%0.07438%0.375CS..Hα-helixtrans-65.3-41.1176.517273.1000112.9C247 F251 S256 L257 T258 R262 I263 H264C247-H260 PolarHBondContact SG-NE2 3.27Å; F251-H260 HydrophobicContact CE1-CB 3.7Å; F251-H260 AromaticContact CE1-CG 3.94Å; F251-H260 HydrophobicContact CE2-CB 3.78Å; F251-H260 AromaticContact CE2-CD2 3.34Å; F251-H260 WeakPolarHBondContact CE2-CD2 3.28Å; F251-H260 AromaticContact CE2-CG 3.46Å; F251-H260 VanDerWaalsContact CE2-CG 3.46Å; F251-H260 AromaticContact CE2-NE2 3.99Å; F251-H260 HydrophobicContact CZ-CB 3.29Å; F251-H260 AromaticContact CZ-CD2 3.45Å; F251-H260 VanDerWaalsContact CZ-CD2 3.45Å; F251-H260 WeakPolarHBondContact CZ-CD2 3.45Å; F251-H260 AromaticContact CZ-CE1 3.98Å; F251-H260 AromaticContact CZ-CG 3.05Å; F251-H260 AromaticContact CZ-ND1 3.43Å; F251-H260 WeakPolarHBondContact CZ-ND1 3.31Å; S256-H260 VanDerWaalsContact O-CB 3.26Å; S256-H260 WeakPolarHBondContact O-CB 3.42Å; S256-H260 PolarHBondContact O-N 3.15Å; L257-H260 CarbonylContact O-C 3.49Å; L257-H260 WeakPolarHBondContact O-CB 3.38Å; L257-H260 PolarHBondContact O-N 2.95Å; L257-H260 VanDerWaalsContact O-N 3.14Å; T258-H260 VanDerWaalsContact C-N 3.31Å; T258-H260 PolarHBondContact O-N 3.47Å; H260-R262 PolarHBondContact O-N 3.46Å; H260-R262 VanDerWaalsContact O-N 3.13Å; H260-I263 WeakPolarHBondContact O-CB 3.38Å; H260-I263 VanDerWaalsContact O-CG1 3.32Å; H260-I263 WeakPolarHBondContact O-CG1 3.4Å; H260-I263 PolarHBondContact O-N 3.35Å; H260-H264 AromaticContact CD2-NE2 3.97Å; H260-H264 AromaticContact CE1-NE2 3.83Å; H260-H264 AromaticContact NE2-CD2 3.96Å; H260-H264 AromaticContact NE2-NE2 3.17Å; H260-H264 PolarHBondContact NE2-NE2 3.09Å; H260-H264 VanDerWaalsContact NE2-NE2 3.17Å
261Q85.5Confident84.5Confident75 Ų7573.7 Ų73.735%0.3538%0.38SS..Hα-helixtrans-57.5-28.9178.5-78.2171.6-28.900112.2L257 T258 I263 H264 T265L257-Q261 HydrophobicContact CD1-CG 4.07Å; L257-Q261 HydrophobicContact CG-CG 4.36Å; L257-Q261 WeakPolarHBondContact O-CG 3.45Å; L257-Q261 PolarHBondContact O-N 3.07Å; T258-Q261 PolarHBondContact O-N 2.8Å; Q261-I263 PolarHBondContact O-N 3.17Å; Q261-I263 VanDerWaalsContact O-N 3.16Å; Q261-H264 PolarHBondContact O-N 2.78Å; Q261-T265 PolarHBondContact O-N 3.07Å
262R87.3Confident85.2Confident55 Ų5572 Ų7221%0.20837%0.373CS..Hα-helixtrans-61.6-21.1173.8-62.1179.3179155.14.1114V259 H260 H264 T265 G266 E267 F280V259-R262 WeakPolarHBondContact O-CB 3.5Å; V259-R262 PolarHBondContact O-N 3.09Å; H260-R262 PolarHBondContact O-N 3.46Å; H260-R262 VanDerWaalsContact O-N 3.13Å; R262-H264 VanDerWaalsContact C-N 3.3Å; R262-T265 WeakPolarHBondContact CA-OG1 3.26Å; R262-G266 CarbonylContact O-C 3.58Å; R262-G266 WeakPolarHBondContact O-CA 3.49Å; R262-G266 PolarHBondContact O-N 2.99Å; R262-E267 WeakPolarHBondContact CB-O 3.45Å; R262-E267 PolarHBondContact O-N 2.9Å; R262-F280 HydrophobicContact CB-CD1 3.7Å; R262-F280 HydrophobicContact CB-CE1 4.36Å; R262-F280 PolarHBondContact NH1-O 2.85Å; R262-F280 VanDerWaalsContact O-CE1 3.26Å; R262-F280 WeakPolarHBondContact O-CE1 3.28Å
263I84.6Confident86Confident98 Ų9874.8 Ų74.850%0.50339%0.392SS..Hα-helixtrans-66.8-36.5173.9-59.7176000110.4H260 Q261 F280H260-I263 WeakPolarHBondContact O-CB 3.38Å; H260-I263 VanDerWaalsContact O-CG1 3.32Å; H260-I263 WeakPolarHBondContact O-CG1 3.4Å; H260-I263 PolarHBondContact O-N 3.35Å; Q261-I263 PolarHBondContact O-N 3.17Å; Q261-I263 VanDerWaalsContact O-N 3.16Å; I263-F280 HydrophobicContact CG1-CE2 4.49Å; I263-F280 HydrophobicContact CG1-CZ 4.43Å
264H85.9Confident86.6Confident74 Ų7478 Ų7834%0.34341%0.405SS..Hα-helixtrans-79.1-39.5179.9-59.3-58.3000111.9C244 V246 C247 H260 Q261 R262 G266C244-H264 VanDerWaalsContact SG-CD2 3.59Å; C244-H264 PolarHBondContact SG-NE2 2.76Å; V246-H264 HydrophobicContact CG1-CB 4.39Å; V246-H264 HydrophobicContact CG2-CB 4.5Å; C247-H264 PolarHBondContact SG-NE2 3.15Å; C247-H264 VanDerWaalsContact SG-NE2 3.4Å; H260-H264 AromaticContact CD2-NE2 3.97Å; H260-H264 AromaticContact CE1-NE2 3.83Å; H260-H264 AromaticContact NE2-CD2 3.96Å; H260-H264 AromaticContact NE2-NE2 3.17Å; H260-H264 PolarHBondContact NE2-NE2 3.09Å; H260-H264 VanDerWaalsContact NE2-NE2 3.17Å; Q261-H264 PolarHBondContact O-N 2.78Å; R262-H264 VanDerWaalsContact C-N 3.3Å; H264-G266 VanDerWaalsContact C-N 3.3Å
265T85.3Confident87.2Confident87 Ų8772 Ų7253%0.53439%0.391SS..Hα-helixtrans-78-17.8177.164.30000112.9Q261 R262 E267Q261-T265 PolarHBondContact O-N 3.07Å; R262-T265 WeakPolarHBondContact CA-OG1 3.26Å; T265-E267 PolarHBondContact O-N 3.36Å; T265-E267 WeakPolarHBondContact OG1-CB 3.45Å; T265-E267 WeakPolarHBondContact OG1-CG 3.28Å; T265-E267 PolarHBondContact OG1-N 3.33Å
266G83.5Confident87.5Confident43 Ų4369.7 Ų69.744%0.44338%0.381SS..  trans72.71-174.100000114.1R262 H264 K268R262-G266 CarbonylContact O-C 3.58Å; R262-G266 WeakPolarHBondContact O-CA 3.49Å; R262-G266 PolarHBondContact O-N 2.99Å; H264-G266 VanDerWaalsContact C-N 3.3Å; G266-K268 PolarHBondContact O-N 3.22Å
267E85.4Confident87.8Confident118 Ų11871.7 Ų71.755%0.55138%0.383SS*.  trans-62.6125.4-179.6-72.7-177.7171.600111.2R262 T265 P269 F280R262-E267 WeakPolarHBondContact CB-O 3.45Å; R262-E267 PolarHBondContact O-N 2.9Å; T265-E267 PolarHBondContact O-N 3.36Å; T265-E267 WeakPolarHBondContact OG1-CB 3.45Å; T265-E267 WeakPolarHBondContact OG1-CG 3.28Å; T265-E267 PolarHBondContact OG1-N 3.33Å; E267-P269 WeakPolarHBondContact O-CD 3.41Å; E267-F280 WeakPolarHBondContact O-CD1 3.33Å
268K88.4Confident88Confident103 Ų10372.6 Ų72.645%0.44839%0.393SS..  trans-126.381.1177.7-71167.4179.3178.20109.3G266 F270 A278 F279 F280G266-K268 PolarHBondContact O-N 3.22Å; K268-F270 PolarHBondContact O-N 3.45Å; K268-F270 VanDerWaalsContact O-N 3.13Å; K268-A278 HydrophobicContact CB-CB 3.42Å; K268-A278 VanDerWaalsContact CB-CB 3.42Å; K268-A278 HydrophobicContact CD-CB 4.18Å; K268-A278 WeakPolarHBondContact CD-O 3.29Å; K268-A278 HydrophobicContact CG-CB 4.41Å; K268-F279 CarbonylContact C-O 3.25Å; K268-F279 WeakPolarHBondContact CA-O 3.28Å; K268-F280 HydrophobicContact CD-CE1 4.28Å; K268-F280 HydrophobicContact CD-CZ 4.34Å; K268-F280 HydrophobicContact CG-CD1 3.74Å; K268-F280 HydrophobicContact CG-CE1 3.57Å; K268-F280 HydrophobicContact CG-CG 4.37Å; K268-F280 HydrophobicContact CG-CZ 4.07Å
269P88.8Confident88.2Confident74 Ų7471.7 Ų71.748%0.48138%0.384SS..  trans-64.6-20.8-171.8-23.134.5000113.9E267E267-P269 WeakPolarHBondContact O-CD 3.41Å
270F90.7Very high88.2Confident58 Ų5872.4 Ų72.425%0.25438%0.384SS..EExtended strand (participates in β ladder)trans-102.395.3-171.7-57.9-77000110.8K268 A278 F279 D281 R282 L285K268-F270 PolarHBondContact O-N 3.45Å; K268-F270 VanDerWaalsContact O-N 3.13Å; F270-A278 CarbonylContact O-C 3.58Å; F270-A278 WeakPolarHBondContact O-CA 3.37Å; F270-F279 HydrophobicContact CB-CB 4.32Å; F270-F279 PolarHBondContact N-O 3.18Å; F270-F279 PolarHBondContact O-N 3.03Å; F270-D281 VanDerWaalsContact CD2-CA 3.44Å; F270-R282 HydrophobicContact CD1-CB 4.07Å; F270-R282 HydrophobicContact CD1-CG 4.47Å; F270-R282 HydrophobicContact CE1-CB 3.88Å; F270-R282 HydrophobicContact CE1-CG 4.45Å; F270-R282 HydrophobicContact CZ-CB 4.21Å; F270-L285 HydrophobicContact CB-CB 4.13Å; F270-L285 HydrophobicContact CB-CD2 3.93Å
271Q92.4Very high88.1Confident118 Ų11873.9 Ų73.955%0.55139%0.392SS*.EExtended strand (participates in β ladder)trans-91.3139.1178.9-164.4173.519.500112.4G276Q271-G276 WeakPolarHBondContact CG-O 3.39Å; Q271-G276 PolarHBondContact NE2-O 2.77Å
272C93.2Very high88.2Confident1 Ų179 Ų791%0.00741%0.408CS..  trans-81.3119.8168.7177.60000109.9E274 C275 G276 K277 F279 L285 H292C272-E274 PolarHBondContact O-N 3.2Å; C272-C275 VanDerWaalsContact SG-SG 3.7Å; C272-G276 WeakPolarHBondContact O-CA 3.45Å; C272-G276 PolarHBondContact O-N 3.29Å; C272-K277 VanDerWaalsContact CB-O 3.31Å; C272-K277 WeakPolarHBondContact CB-O 2.77Å; C272-K277 PolarHBondContact N-O 3.35Å; C272-F279 HydrophobicContact CB-CE2 4.36Å; C272-L285 HydrophobicContact CB-CD1 3.66Å; C272-H292 PolarHBondContact SG-NE2 3.39Å
273N91.4Very high88.2Confident156 Ų15680.9 Ų80.983%0.83443%0.43SS*.THydrogen-bonded Turntrans-64.8-26.7-178.8-63.4-12.3000113.3
274E89.3Confident88.4Confident124 Ų12477.3 Ų77.358%0.57941%0.413SS*.THydrogen-bonded Turntrans-84.4-32.2-174-63.2178.7-131.600113.8C272 H292C272-E274 PolarHBondContact O-N 3.2Å; E274-H292 WeakPolarHBondContact OE2-CB 3.37Å; E274-H292 IonicContact OE2-CD2 2.95Å; E274-H292 IonicContact OE2-CG 2.98Å
275C90.8Very high88.7Confident55 Ų5574.7 Ų74.737%0.37240%0.402SS..THydrogen-bonded Turntrans-129.24.5-177.273.60000114.4C272 K277 H288C272-C275 VanDerWaalsContact SG-SG 3.7Å; C275-K277 PolarHBondContact O-N 2.81Å; C275-K277 VanDerWaalsContact SG-CG 3.58Å; C275-H288 PolarHBondContact SG-NE2 3.31Å
276G87.9Confident88.9Confident38 Ų3873.7 Ų73.739%0.39240%0.395SS..  trans68.3-1.4179.600000115.3Q271 C272 A278Q271-G276 WeakPolarHBondContact CG-O 3.39Å; Q271-G276 PolarHBondContact NE2-O 2.77Å; C272-G276 WeakPolarHBondContact O-CA 3.45Å; C272-G276 PolarHBondContact O-N 3.29Å; G276-A278 PolarHBondContact O-N 3.49Å
277K89.6Confident89.2Confident91 Ų9177 Ų7740%0.39640%0.395SS..  trans-67.8131.6-179.8-71.8179.7-178.2174.90110.8C272 C275 F279C272-K277 VanDerWaalsContact CB-O 3.31Å; C272-K277 WeakPolarHBondContact CB-O 2.77Å; C272-K277 PolarHBondContact N-O 3.35Å; C275-K277 PolarHBondContact O-N 2.81Å; C275-K277 VanDerWaalsContact SG-CG 3.58Å; K277-F279 HydrophobicContact CB-CE2 4.06Å; K277-F279 HydrophobicContact CB-CZ 4.19Å; K277-F279 WeakPolarHBondContact O-CE2 3.2Å
278A91.4Very high89.5Confident35 Ų3572.2 Ų72.229%0.28937%0.372SS..EExtended strand (participates in β ladder)trans-106.4148.5-178.700000112.8K268 F270 G276K268-A278 HydrophobicContact CB-CB 3.42Å; K268-A278 VanDerWaalsContact CB-CB 3.42Å; K268-A278 HydrophobicContact CD-CB 4.18Å; K268-A278 WeakPolarHBondContact CD-O 3.29Å; K268-A278 HydrophobicContact CG-CB 4.41Å; F270-A278 CarbonylContact O-C 3.58Å; F270-A278 WeakPolarHBondContact O-CA 3.37Å; G276-A278 PolarHBondContact O-N 3.49Å
279F89.1Confident89.6Confident41 Ų4170.6 Ų70.618%0.1837%0.366CS..EExtended strand (participates in β ladder)trans-129.4154.8-174.5-60.3-88.1000111.7K268 F270 C272 K277 L285 H288K268-F279 CarbonylContact C-O 3.25Å; K268-F279 WeakPolarHBondContact CA-O 3.28Å; F270-F279 HydrophobicContact CB-CB 4.32Å; F270-F279 PolarHBondContact N-O 3.18Å; F270-F279 PolarHBondContact O-N 3.03Å; C272-F279 HydrophobicContact CB-CE2 4.36Å; K277-F279 HydrophobicContact CB-CE2 4.06Å; K277-F279 HydrophobicContact CB-CZ 4.19Å; K277-F279 WeakPolarHBondContact O-CE2 3.2Å; F279-L285 HydrophobicContact CB-CB 4.35Å; F279-L285 HydrophobicContact CD2-CB 3.93Å; F279-L285 HydrophobicContact CD2-CD1 3.79Å; F279-L285 HydrophobicContact CD2-CG 4.47Å; F279-L285 HydrophobicContact CE2-CD1 3.98Å; F279-L285 HydrophobicContact CG-CB 4.3Å; F279-H288 HydrophobicContact CE1-CB 3.84Å; F279-H288 HydrophobicContact CE2-CB 3.77Å; F279-H288 AromaticContact CE2-CD2 3.41Å; F279-H288 VanDerWaalsContact CE2-CD2 3.41Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.34Å; F279-H288 AromaticContact CE2-CG 3.55Å; F279-H288 HydrophobicContact CZ-CB 3.32Å; F279-H288 AromaticContact CZ-CD2 3.48Å; F279-H288 VanDerWaalsContact CZ-CD2 3.48Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.39Å; F279-H288 AromaticContact CZ-CG 3.13Å; F279-H288 AromaticContact CZ-ND1 3.61Å
280F85.6Confident89.8Confident61 Ų6169.9 Ų69.927%0.26835%0.354SS..SBendtrans-76.9-25.7-179.9-59.6-68.4000113.3V259 R262 I263 E267 K268V259-F280 HydrophobicContact CG1-CB 4.47Å; R262-F280 HydrophobicContact CB-CD1 3.7Å; R262-F280 HydrophobicContact CB-CE1 4.36Å; R262-F280 PolarHBondContact NH1-O 2.85Å; R262-F280 VanDerWaalsContact O-CE1 3.26Å; R262-F280 WeakPolarHBondContact O-CE1 3.28Å; I263-F280 HydrophobicContact CG1-CE2 4.49Å; I263-F280 HydrophobicContact CG1-CZ 4.43Å; E267-F280 WeakPolarHBondContact O-CD1 3.33Å; K268-F280 HydrophobicContact CD-CE1 4.28Å; K268-F280 HydrophobicContact CD-CZ 4.34Å; K268-F280 HydrophobicContact CG-CD1 3.74Å; K268-F280 HydrophobicContact CG-CE1 3.57Å; K268-F280 HydrophobicContact CG-CG 4.37Å; K268-F280 HydrophobicContact CG-CZ 4.07Å
281D84.5Confident89.7Confident47 Ų4772.9 Ų72.925%0.25137%0.371SS..SBendtrans-137.9161.3178.766.334.1000112.1V259 F270 S283 S284 L285V259-D281 HydrophobicContact CG1-CB 4.2Å; F270-D281 VanDerWaalsContact CD2-CA 3.44Å; D281-S283 PolarHBondContact OD1-N 2.9Å; D281-S284 WeakPolarHBondContact OD1-CA 3.39Å; D281-S284 WeakPolarHBondContact OD1-CB 3.48Å; D281-S284 PolarHBondContact OD1-N 2.97Å; D281-S284 PolarHBondContact OD1-OG 3.34Å; D281-L285 PolarHBondContact O-N 3.33Å
282R87.3Confident89.6Confident183 Ų18370.1 Ų70.169%0.69136%0.358SS*.Hα-helixtrans-67.9-37.5-179.3-170.1172.4-178.5145.9-0.1112F270 S284 L285 T286F270-R282 HydrophobicContact CD1-CB 4.07Å; F270-R282 HydrophobicContact CD1-CG 4.47Å; F270-R282 HydrophobicContact CE1-CB 3.88Å; F270-R282 HydrophobicContact CE1-CG 4.45Å; F270-R282 HydrophobicContact CZ-CB 4.21Å; R282-S284 VanDerWaalsContact C-N 3.32Å; R282-S284 PolarHBondContact O-N 3.01Å; R282-L285 WeakPolarHBondContact O-CB 3.45Å; R282-L285 PolarHBondContact O-N 3.46Å; R282-T286 PolarHBondContact O-N 3.45Å; R282-T286 PolarHBondContact O-OG1 3.5Å
283S87.1Confident89.3Confident94 Ų9473.8 Ų73.866%0.65738%0.381SS*.Hα-helixtrans-62.9-37.6-179.1-56.30000112.5D281 T286 R287D281-S283 PolarHBondContact OD1-N 2.9Å; S283-T286 PolarHBondContact O-N 2.89Å; S283-R287 WeakPolarHBondContact O-CB 3.25Å; S283-R287 PolarHBondContact O-N 2.99Å
284S89.1Confident89.1Confident22 Ų2268.8 Ų68.815%0.15437%0.366CS..Hα-helixtrans-69.2-39.1175.6-64.60000111.6D281 R282 R287 H288D281-S284 WeakPolarHBondContact OD1-CA 3.39Å; D281-S284 WeakPolarHBondContact OD1-CB 3.48Å; D281-S284 PolarHBondContact OD1-N 2.97Å; D281-S284 PolarHBondContact OD1-OG 3.34Å; R282-S284 VanDerWaalsContact C-N 3.32Å; R282-S284 PolarHBondContact O-N 3.01Å; S284-R287 PolarHBondContact O-N 3.4Å; S284-R287 PolarHBondContact OG-NH2 3.18Å; S284-H288 VanDerWaalsContact O-CB 3.29Å; S284-H288 WeakPolarHBondContact O-CB 3.37Å; S284-H288 PolarHBondContact O-N 3.31Å
285L91.8Very high89.1Confident20 Ų2068.3 Ų68.311%0.10536%0.364CS..Hα-helixtrans-61.5-50172.2173.161.7000111F270 C272 F279 D281 R282 R287 H288 Q289F270-L285 HydrophobicContact CB-CB 4.13Å; F270-L285 HydrophobicContact CB-CD2 3.93Å; C272-L285 HydrophobicContact CB-CD1 3.66Å; F279-L285 HydrophobicContact CB-CB 4.35Å; F279-L285 HydrophobicContact CD2-CB 3.93Å; F279-L285 HydrophobicContact CD2-CD1 3.79Å; F279-L285 HydrophobicContact CD2-CG 4.47Å; F279-L285 HydrophobicContact CE2-CD1 3.98Å; F279-L285 HydrophobicContact CG-CB 4.3Å; D281-L285 PolarHBondContact O-N 3.33Å; R282-L285 WeakPolarHBondContact O-CB 3.45Å; R282-L285 PolarHBondContact O-N 3.46Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 2.87Å; L285-H288 CarbonylContact O-C 3.57Å; L285-H288 WeakPolarHBondContact O-CA 3.49Å; L285-H288 WeakPolarHBondContact O-CB 3.28Å; L285-H288 PolarHBondContact O-N 3.13Å; L285-Q289 HydrophobicContact CD1-CG 4.19Å; L285-Q289 WeakPolarHBondContact O-CG 3.35Å; L285-Q289 PolarHBondContact O-N 2.95Å
286T90Very high89.1Confident65 Ų6568 Ų6840%0.39936%0.362SS..Hα-helixtrans-58.3-42.7178-59.20000111.9R282 S283 H288 Q289R282-T286 PolarHBondContact O-N 3.45Å; R282-T286 PolarHBondContact O-OG1 3.5Å; S283-T286 PolarHBondContact O-N 2.89Å; T286-H288 VanDerWaalsContact C-N 3.3Å; T286-H288 PolarHBondContact O-N 3.3Å; T286-Q289 PolarHBondContact O-N 2.96Å
287R90.6Very high89.2Confident113 Ų11369.9 Ų69.943%0.42637%0.368SS..Hα-helixtrans-64.9-35.6175.1-178.2175.165.1-161.1-10.8112.4S283 S284 L285 R290 Q309S283-R287 WeakPolarHBondContact O-CB 3.25Å; S283-R287 PolarHBondContact O-N 2.99Å; S284-R287 PolarHBondContact O-N 3.4Å; S284-R287 PolarHBondContact OG-NH2 3.18Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 2.87Å; R287-R290 WeakPolarHBondContact O-CB 2.86Å; R287-Q309 HydrophobicContact CG-CG 4.21Å
288H91.5Very high89.4Confident17 Ų1769.2 Ų69.28%0.07936%0.363CS..Hα-helixtrans-69.6-39.6176.8168.270.4000112.3C275 F279 S284 L285 T286 R290 I291 H292C275-H288 PolarHBondContact SG-NE2 3.31Å; F279-H288 HydrophobicContact CE1-CB 3.84Å; F279-H288 HydrophobicContact CE2-CB 3.77Å; F279-H288 AromaticContact CE2-CD2 3.41Å; F279-H288 VanDerWaalsContact CE2-CD2 3.41Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.34Å; F279-H288 AromaticContact CE2-CG 3.55Å; F279-H288 HydrophobicContact CZ-CB 3.32Å; F279-H288 AromaticContact CZ-CD2 3.48Å; F279-H288 VanDerWaalsContact CZ-CD2 3.48Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.39Å; F279-H288 AromaticContact CZ-CG 3.13Å; F279-H288 AromaticContact CZ-ND1 3.61Å; S284-H288 VanDerWaalsContact O-CB 3.29Å; S284-H288 WeakPolarHBondContact O-CB 3.37Å; S284-H288 PolarHBondContact O-N 3.31Å; L285-H288 CarbonylContact O-C 3.57Å; L285-H288 WeakPolarHBondContact O-CA 3.49Å; L285-H288 WeakPolarHBondContact O-CB 3.28Å; L285-H288 PolarHBondContact O-N 3.13Å; T286-H288 VanDerWaalsContact C-N 3.3Å; T286-H288 PolarHBondContact O-N 3.3Å; H288-R290 PolarHBondContact O-N 2.9Å; H288-R290 VanDerWaalsContact O-N 3.13Å; H288-I291 VanDerWaalsContact O-CB 3.25Å; H288-I291 WeakPolarHBondContact O-CB 3.34Å; H288-I291 WeakPolarHBondContact O-CG1 3.49Å; H288-I291 PolarHBondContact O-N 3.26Å; H288-H292 AromaticContact CD2-NE2 3.98Å; H288-H292 AromaticContact CE1-NE2 3.77Å; H288-H292 AromaticContact NE2-CE1 3.92Å; H288-H292 AromaticContact NE2-NE2 3.18Å; H288-H292 PolarHBondContact NE2-NE2 2.84Å; H288-H292 VanDerWaalsContact NE2-NE2 3.18Å
289Q90.8Very high89.4Confident69 Ų6972.6 Ų72.632%0.32237%0.373SS..Hα-helixtrans-56.8-29.1178.8-75171.6-45.800112.7L285 T286 I291 H292 T293L285-Q289 HydrophobicContact CD1-CG 4.19Å; L285-Q289 WeakPolarHBondContact O-CG 3.35Å; L285-Q289 PolarHBondContact O-N 2.95Å; T286-Q289 PolarHBondContact O-N 2.96Å; Q289-I291 PolarHBondContact O-N 2.83Å; Q289-H292 PolarHBondContact O-N 2.61Å; Q289-T293 PolarHBondContact O-N 3.36Å; Q289-T293 VanDerWaalsContact O-N 3.15Å
290R91.5Very high89.7Confident59 Ų5970.7 Ų70.722%0.22337%0.365CS..Hα-helixtrans-57.5-21.6173-62.8-177.6-175.7171.9-0.2114.3R287 H288 H292 T293 G294 E295 S308R287-R290 WeakPolarHBondContact O-CB 2.86Å; H288-R290 PolarHBondContact O-N 2.9Å; H288-R290 VanDerWaalsContact O-N 3.13Å; R290-H292 VanDerWaalsContact C-N 3.32Å; R290-T293 WeakPolarHBondContact CA-OG1 3.2Å; R290-G294 WeakPolarHBondContact O-CA 3.39Å; R290-G294 PolarHBondContact O-N 2.93Å; R290-E295 HydrophobicContact CG-CB 4.36Å; R290-E295 PolarHBondContact O-N 3.14Å; R290-S308 PolarHBondContact NH1-O 2.89Å
291I89.2Confident89.9Confident121 Ų12176 Ų7662%0.62139%0.39SS*.Hα-helixtrans-69.4-35.4175.9-61.4175.3000110.6H288 Q289H288-I291 VanDerWaalsContact O-CB 3.25Å; H288-I291 WeakPolarHBondContact O-CB 3.34Å; H288-I291 WeakPolarHBondContact O-CG1 3.49Å; H288-I291 PolarHBondContact O-N 3.26Å; Q289-I291 PolarHBondContact O-N 2.83Å
292H89.4Confident90.1Very high60 Ų6080 Ų8028%0.27841%0.408SS..Hα-helixtrans-85.8-40.7-178.3-50.7-55.1000112.2C272 E274 H288 Q289 R290 G294C272-H292 PolarHBondContact SG-NE2 3.39Å; E274-H292 WeakPolarHBondContact OE2-CB 3.37Å; E274-H292 IonicContact OE2-CD2 2.95Å; E274-H292 IonicContact OE2-CG 2.98Å; H288-H292 AromaticContact CD2-NE2 3.98Å; H288-H292 AromaticContact CE1-NE2 3.77Å; H288-H292 AromaticContact NE2-CE1 3.92Å; H288-H292 AromaticContact NE2-NE2 3.18Å; H288-H292 PolarHBondContact NE2-NE2 2.84Å; H288-H292 VanDerWaalsContact NE2-NE2 3.18Å; Q289-H292 PolarHBondContact O-N 2.61Å; R290-H292 VanDerWaalsContact C-N 3.32Å; H292-G294 PolarHBondContact O-N 3.13Å
293T88.6Confident90.3Very high78 Ų7873.9 Ų73.948%0.47939%0.392SS..Hα-helixtrans-72.4-18.5176.362.80000112.8Q289 R290 E295Q289-T293 PolarHBondContact O-N 3.36Å; Q289-T293 VanDerWaalsContact O-N 3.15Å; R290-T293 WeakPolarHBondContact CA-OG1 3.2Å; T293-E295 PolarHBondContact O-N 3.02Å; T293-E295 WeakPolarHBondContact OG1-CB 3.45Å; T293-E295 WeakPolarHBondContact OG1-CG 3.24Å; T293-E295 PolarHBondContact OG1-N 3.19Å
294G87.1Confident90.3Very high52 Ų5271.5 Ų71.554%0.53638%0.382SS..  trans71.46.3-173.500000113.7R290 H292 S296R290-G294 WeakPolarHBondContact O-CA 3.39Å; R290-G294 PolarHBondContact O-N 2.93Å; H292-G294 PolarHBondContact O-N 3.13Å; G294-S296 PolarHBondContact O-N 3.27Å
295E89.1Confident90.3Very high114 Ų11476.4 Ų76.453%0.53340%0.4SS..  trans-60.7123.8179.9-77.2-178.9-179.600111.3R290 T293R290-E295 HydrophobicContact CG-CB 4.36Å; R290-E295 PolarHBondContact O-N 3.14Å; T293-E295 PolarHBondContact O-N 3.02Å; T293-E295 WeakPolarHBondContact OG1-CB 3.45Å; T293-E295 WeakPolarHBondContact OG1-CG 3.24Å; T293-E295 PolarHBondContact OG1-N 3.19Å
296S89.2Confident90.4Very high48 Ų4877.6 Ų77.634%0.33641%0.414SS..  trans-130.175.9177.741.20000110G294 Y298 A306 F307G294-S296 PolarHBondContact O-N 3.27Å; S296-Y298 PolarHBondContact O-N 3.46Å; S296-A306 WeakPolarHBondContact OG-CB 3.29Å; S296-F307 CarbonylContact C-O 3.58Å; S296-F307 VanDerWaalsContact C-O 3.25Å; S296-F307 WeakPolarHBondContact CA-O 3.37Å
297P90.9Very high90.4Very high77 Ų7776.3 Ų76.350%0.540%0.403SS..  trans-65.4-8.3-170.1-2234.1000115.2
298Y93.2Very high90.4Very high78 Ų7872.9 Ų72.931%0.30640%0.396SS..EExtended strand (participates in β ladder)trans-113.596.1-173.1-54.7-73.9000110.1S296 A306 F307 K310S296-Y298 PolarHBondContact O-N 3.46Å; Y298-A306 CarbonylContact O-C 3.35Å; Y298-F307 WeakPolarHBondContact CB-O 3.46Å; Y298-F307 WeakPolarHBondContact CD2-O 3.45Å; Y298-F307 PolarHBondContact N-O 2.66Å; Y298-F307 VanDerWaalsContact N-O 3.16Å; Y298-F307 PolarHBondContact O-N 3.46Å; Y298-K310 HydrophobicContact CD1-CB 3.85Å; Y298-K310 HydrophobicContact CD1-CG 4.32Å; Y298-K310 HydrophobicContact CD2-CB 4.48Å; Y298-K310 VanDerWaalsContact CD2-N 3.27Å; Y298-K310 HydrophobicContact CE1-CB 3.72Å; Y298-K310 HydrophobicContact CE1-CG 4.35Å; Y298-K310 HydrophobicContact CE2-CB 4.34Å; Y298-K310 HydrophobicContact CG-CB 4.23Å
299E93Very high90.3Very high105 Ų10574.8 Ų74.849%0.49140%0.404SS..EExtended strand (participates in β ladder)trans-92.8140-179.6-165.3-179.7159.500112.7G304E299-G304 WeakPolarHBondContact OE1-CA 3.36Å
300C93.4Very high90.3Very high2 Ų278.1 Ų78.11%0.01442%0.418CS..  trans-84.9109.3170.7-174.40000110.5Q302 C303 G304 K305 F307 L313 H320C300-Q302 PolarHBondContact O-N 2.69Å; C300-C303 PolarHBondContact O-N 3.26Å; C300-G304 WeakPolarHBondContact O-CA 3.34Å; C300-G304 PolarHBondContact O-N 3.25Å; C300-K305 WeakPolarHBondContact CB-O 3.48Å; C300-K305 PolarHBondContact N-O 3.05Å; C300-F307 HydrophobicContact CB-CE2 4.29Å; C300-L313 HydrophobicContact CB-CD1 3.58Å; C300-H320 PolarHBondContact SG-NE2 3.04Å; C300-H320 VanDerWaalsContact SG-NE2 3.43Å
301H90.4Very high90.1Very high172 Ų17278.8 Ų78.880%0.79643%0.432SS*.THydrogen-bonded Turntrans-59-20.7179.2-55.1-47.9000114.7
302Q89.5Confident90.2Very high132 Ų13275.4 Ų75.462%0.61741%0.414SS*.THydrogen-bonded Turntrans-86-22.6-178.8-62.1-170.123.800114.3C300C300-Q302 PolarHBondContact O-N 2.69Å
303C90.2Very high90.3Very high54 Ų5473.3 Ų73.337%0.36541%0.405SS..THydrogen-bonded Turntrans-140.67.6-178.966.80000115C300 K305 H316 H320C300-C303 PolarHBondContact O-N 3.26Å; C303-K305 PolarHBondContact O-N 2.7Å; C303-K305 VanDerWaalsContact O-N 3.07Å; C303-H316 PolarHBondContact SG-NE2 3.26Å; C303-H320 PolarHBondContact SG-NE2 2.76Å; C303-H320 VanDerWaalsContact SG-NE2 3.37Å
304G88.5Confident90.4Very high43 Ų4373 Ų7344%0.44340%0.403SS..  trans66.15.4-179.500000114.6E299 C300 A306E299-G304 WeakPolarHBondContact OE1-CA 3.36Å; C300-G304 WeakPolarHBondContact O-CA 3.34Å; C300-G304 PolarHBondContact O-N 3.25Å; G304-A306 PolarHBondContact O-N 2.68Å
305K89.6Confident90.5Very high125 Ų12575.4 Ų75.454%0.54340%0.396SS..  trans-73.6123.3-179.4-73.8-177.2-179.5175.30110.5C300 C303 F307C300-K305 WeakPolarHBondContact CB-O 3.48Å; C300-K305 PolarHBondContact N-O 3.05Å; C303-K305 PolarHBondContact O-N 2.7Å; C303-K305 VanDerWaalsContact O-N 3.07Å; K305-F307 HydrophobicContact CB-CE2 3.92Å; K305-F307 HydrophobicContact CB-CZ 4.01Å; K305-F307 WeakPolarHBondContact O-CD2 3.48Å; K305-F307 VanDerWaalsContact O-CE2 3.28Å; K305-F307 WeakPolarHBondContact O-CE2 3.48Å
306A92.5Very high90.6Very high46 Ų4670.9 Ų70.938%0.3838%0.375SS..EExtended strand (participates in β ladder)trans-95.7141.7178.300000112.3S296 Y298 G304S296-A306 WeakPolarHBondContact OG-CB 3.29Å; Y298-A306 CarbonylContact O-C 3.35Å; G304-A306 PolarHBondContact O-N 2.68Å
307F90.5Very high90.6Very high38 Ų3872.1 Ų72.117%0.16738%0.375CS..EExtended strand (participates in β ladder)trans-127.1147.5-178.2-59.5-85.4000111.1S296 Y298 C300 K305 Q309 I312 L313 H316S296-F307 CarbonylContact C-O 3.58Å; S296-F307 VanDerWaalsContact C-O 3.25Å; S296-F307 WeakPolarHBondContact CA-O 3.37Å; Y298-F307 WeakPolarHBondContact CB-O 3.46Å; Y298-F307 WeakPolarHBondContact CD2-O 3.45Å; Y298-F307 PolarHBondContact N-O 2.66Å; Y298-F307 VanDerWaalsContact N-O 3.16Å; Y298-F307 PolarHBondContact O-N 3.46Å; C300-F307 HydrophobicContact CB-CE2 4.29Å; K305-F307 HydrophobicContact CB-CE2 3.92Å; K305-F307 HydrophobicContact CB-CZ 4.01Å; K305-F307 WeakPolarHBondContact O-CD2 3.48Å; K305-F307 VanDerWaalsContact O-CE2 3.28Å; K305-F307 WeakPolarHBondContact O-CE2 3.48Å; F307-Q309 VanDerWaalsContact C-N 3.26Å; F307-Q309 PolarHBondContact O-N 2.91Å; F307-I312 HydrophobicContact CB-CB 4.49Å; F307-I312 HydrophobicContact CD1-CB 4.3Å; F307-I312 HydrophobicContact CD1-CG2 3.53Å; F307-I312 HydrophobicContact CE1-CG2 4.05Å; F307-I312 HydrophobicContact CG-CG2 4.27Å; F307-L313 HydrophobicContact CB-CB 4.35Å; F307-L313 HydrophobicContact CD2-CB 3.89Å; F307-L313 HydrophobicContact CD2-CD1 3.77Å; F307-L313 HydrophobicContact CD2-CG 4.43Å; F307-L313 HydrophobicContact CE2-CD1 3.94Å; F307-L313 HydrophobicContact CG-CB 4.33Å; F307-H316 HydrophobicContact CE1-CB 4.16Å; F307-H316 HydrophobicContact CE2-CB 3.92Å; F307-H316 AromaticContact CE2-CD2 3.38Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.34Å; F307-H316 AromaticContact CE2-CG 3.6Å; F307-H316 HydrophobicContact CZ-CB 3.57Å; F307-H316 AromaticContact CZ-CD2 3.47Å; F307-H316 VanDerWaalsContact CZ-CD2 3.47Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.34Å; F307-H316 AromaticContact CZ-CG 3.24Å; F307-H316 AromaticContact CZ-ND1 3.62Å; F307-H316 AromaticContact CZ-NE2 3.94Å
308S90.3Very high90.6Very high40 Ų4070.2 Ų70.228%0.2836%0.361SS..SBendtrans-76.2-12.1177.460.10000113.8R290R290-S308 PolarHBondContact NH1-O 2.89Å
309Q90.1Very high90.4Very high57 Ų5770.9 Ų70.927%0.26637%0.369SS..SBendtrans-142.4136.6-176.7-62.1177.141.500112R287 F307 S311 I312 L313R287-Q309 HydrophobicContact CG-CG 4.21Å; F307-Q309 VanDerWaalsContact C-N 3.26Å; F307-Q309 PolarHBondContact O-N 2.91Å; Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 3.18Å; Q309-I312 HydrophobicContact CB-CB 4.48Å; Q309-I312 HydrophobicContact CB-CG1 3.86Å; Q309-I312 PolarHBondContact O-N 3.2Å; Q309-I312 VanDerWaalsContact O-N 3.14Å; Q309-L313 PolarHBondContact O-N 2.83Å
310K90.1Very high90.2Very high139 Ų13969.1 Ų69.160%0.60436%0.36SS*.Hα-helixtrans-59.2-38178.5-172.4175.4179.2177.10113.4Y298 I312 L313 T314Y298-K310 HydrophobicContact CD1-CB 3.85Å; Y298-K310 HydrophobicContact CD1-CG 4.32Å; Y298-K310 HydrophobicContact CD2-CB 4.48Å; Y298-K310 VanDerWaalsContact CD2-N 3.27Å; Y298-K310 HydrophobicContact CE1-CB 3.72Å; Y298-K310 HydrophobicContact CE1-CG 4.35Å; Y298-K310 HydrophobicContact CE2-CB 4.34Å; Y298-K310 HydrophobicContact CG-CB 4.23Å; K310-I312 VanDerWaalsContact C-N 3.26Å; K310-I312 PolarHBondContact O-N 3.39Å; K310-L313 PolarHBondContact O-N 3.4Å; K310-T314 WeakPolarHBondContact O-CB 3.37Å; K310-T314 PolarHBondContact O-N 3.04Å; K310-T314 PolarHBondContact O-OG1 3.07Å
311S88.3Confident90Very high73 Ų7373 Ų7351%0.5138%0.384SS..Hα-helixtrans-62-35.1178.355.10000112.3Q309 R315Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 3.18Å; S311-R315 WeakPolarHBondContact O-CB 3.42Å; S311-R315 PolarHBondContact O-N 3.29Å
312I89.6Confident89.8Confident50 Ų5066.9 Ų66.926%0.25637%0.367SS..Hα-helixtrans-73.4-42.3177.8-52.1-64.5000110.2F307 Q309 K310 R315 H316F307-I312 HydrophobicContact CB-CB 4.49Å; F307-I312 HydrophobicContact CD1-CB 4.3Å; F307-I312 HydrophobicContact CD1-CG2 3.53Å; F307-I312 HydrophobicContact CE1-CG2 4.05Å; F307-I312 HydrophobicContact CG-CG2 4.27Å; Q309-I312 HydrophobicContact CB-CB 4.48Å; Q309-I312 HydrophobicContact CB-CG1 3.86Å; Q309-I312 PolarHBondContact O-N 3.2Å; Q309-I312 VanDerWaalsContact O-N 3.14Å; K310-I312 VanDerWaalsContact C-N 3.26Å; K310-I312 PolarHBondContact O-N 3.39Å; I312-R315 PolarHBondContact O-N 3.15Å; I312-H316 VanDerWaalsContact O-CB 3.3Å; I312-H316 WeakPolarHBondContact O-CB 3.28Å; I312-H316 PolarHBondContact O-N 3.37Å
313L92.4Very high89.7Confident16 Ų1669.5 Ų69.58%0.08437%0.372CS..Hα-helixtrans-58.3-48.2171.9171.762.8000111.2C300 F307 Q309 K310 R315 H316 Q317C300-L313 HydrophobicContact CB-CD1 3.58Å; F307-L313 HydrophobicContact CB-CB 4.35Å; F307-L313 HydrophobicContact CD2-CB 3.89Å; F307-L313 HydrophobicContact CD2-CD1 3.77Å; F307-L313 HydrophobicContact CD2-CG 4.43Å; F307-L313 HydrophobicContact CE2-CD1 3.94Å; F307-L313 HydrophobicContact CG-CB 4.33Å; Q309-L313 PolarHBondContact O-N 2.83Å; K310-L313 PolarHBondContact O-N 3.4Å; L313-R315 VanDerWaalsContact C-N 3.31Å; L313-R315 PolarHBondContact O-N 2.92Å; L313-H316 CarbonylContact O-C 3.51Å; L313-H316 WeakPolarHBondContact O-CA 3.04Å; L313-H316 WeakPolarHBondContact O-CB 3.43Å; L313-H316 PolarHBondContact O-N 2.78Å; L313-Q317 HydrophobicContact CD1-CG 4.16Å; L313-Q317 HydrophobicContact CG-CG 4.48Å; L313-Q317 WeakPolarHBondContact O-CG 3.38Å; L313-Q317 PolarHBondContact O-N 3.11Å
314T89.6Confident89.7Confident71 Ų7171.6 Ų71.644%0.43638%0.375SS..Hα-helixtrans-58.6-44.9-179.8-52.60000110.9K310 H316 Q317K310-T314 WeakPolarHBondContact O-CB 3.37Å; K310-T314 PolarHBondContact O-N 3.04Å; K310-T314 PolarHBondContact O-OG1 3.07Å; T314-H316 VanDerWaalsContact C-N 3.34Å; T314-H316 PolarHBondContact O-N 2.84Å; T314-Q317 PolarHBondContact O-N 3.39Å
315R89.6Confident89.7Confident103 Ų10373.3 Ų73.339%0.38938%0.378SS..Hα-helixtrans-65.4-37.4174.4-178.517363.4-165.80.7112.3S311 I312 L313 L318 Y336S311-R315 WeakPolarHBondContact O-CB 3.42Å; S311-R315 PolarHBondContact O-N 3.29Å; I312-R315 PolarHBondContact O-N 3.15Å; L313-R315 VanDerWaalsContact C-N 3.31Å; L313-R315 PolarHBondContact O-N 2.92Å; R315-L318 VanDerWaalsContact O-CB 3.31Å; R315-L318 WeakPolarHBondContact O-CB 3.49Å; R315-L318 PolarHBondContact O-N 2.63Å; R315-Y336 WeakPolarHBondContact CG-O 3.27Å
316H91.2Very high89.8Confident20 Ų2071.7 Ų71.79%0.09337%0.369CS..Hα-helixtrans-65.7-38.5177.7168.372.7000112C303 F307 I312 L313 T314 L318 I319 H320C303-H316 PolarHBondContact SG-NE2 3.26Å; F307-H316 HydrophobicContact CE1-CB 4.16Å; F307-H316 HydrophobicContact CE2-CB 3.92Å; F307-H316 AromaticContact CE2-CD2 3.38Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.34Å; F307-H316 AromaticContact CE2-CG 3.6Å; F307-H316 HydrophobicContact CZ-CB 3.57Å; F307-H316 AromaticContact CZ-CD2 3.47Å; F307-H316 VanDerWaalsContact CZ-CD2 3.47Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.34Å; F307-H316 AromaticContact CZ-CG 3.24Å; F307-H316 AromaticContact CZ-ND1 3.62Å; F307-H316 AromaticContact CZ-NE2 3.94Å; I312-H316 VanDerWaalsContact O-CB 3.3Å; I312-H316 WeakPolarHBondContact O-CB 3.28Å; I312-H316 PolarHBondContact O-N 3.37Å; L313-H316 CarbonylContact O-C 3.51Å; L313-H316 WeakPolarHBondContact O-CA 3.04Å; L313-H316 WeakPolarHBondContact O-CB 3.43Å; L313-H316 PolarHBondContact O-N 2.78Å; T314-H316 VanDerWaalsContact C-N 3.34Å; T314-H316 PolarHBondContact O-N 2.84Å; H316-L318 PolarHBondContact O-N 2.84Å; H316-L318 VanDerWaalsContact O-N 3.13Å; H316-I319 VanDerWaalsContact O-CB 3.23Å; H316-I319 WeakPolarHBondContact O-CB 3.37Å; H316-I319 WeakPolarHBondContact O-CG1 3.27Å; H316-I319 PolarHBondContact O-N 3Å; H316-H320 AromaticContact CE1-NE2 3.87Å; H316-H320 AromaticContact NE2-CD2 3.97Å; H316-H320 AromaticContact NE2-NE2 3.3Å; H316-H320 PolarHBondContact NE2-NE2 2.96Å
317Q90.6Very high89.7Confident73 Ų7375 Ų7534%0.34138%0.377SS..Hα-helixtrans-58.3-26.2176.2-72.9169.6-26.900112.9L313 T314 I319 H320 T321L313-Q317 HydrophobicContact CD1-CG 4.16Å; L313-Q317 HydrophobicContact CG-CG 4.48Å; L313-Q317 WeakPolarHBondContact O-CG 3.38Å; L313-Q317 PolarHBondContact O-N 3.11Å; T314-Q317 PolarHBondContact O-N 3.39Å; Q317-I319 PolarHBondContact O-N 3.13Å; Q317-H320 PolarHBondContact O-N 3.09Å; Q317-H320 VanDerWaalsContact O-N 3.13Å; Q317-T321 PolarHBondContact O-N 3.22Å
318L90.4Very high89.8Confident38 Ų3873.2 Ų73.220%0.19937%0.369CS..Hα-helixtrans-62.5-25.8173.5-59.2175.4000113.2R315 H316 H320 T321 G322 R323 P325 Y336R315-L318 VanDerWaalsContact O-CB 3.31Å; R315-L318 WeakPolarHBondContact O-CB 3.49Å; R315-L318 PolarHBondContact O-N 2.63Å; H316-L318 PolarHBondContact O-N 2.84Å; H316-L318 VanDerWaalsContact O-N 3.13Å; L318-H320 VanDerWaalsContact C-N 3.29Å; L318-H320 PolarHBondContact O-N 3.08Å; L318-T321 WeakPolarHBondContact CA-OG1 3.41Å; L318-T321 PolarHBondContact O-OG1 3.31Å; L318-G322 PolarHBondContact O-N 3.44Å; L318-R323 HydrophobicContact CD2-CB 4.44Å; L318-R323 PolarHBondContact O-N 3.41Å; L318-P325 HydrophobicContact CD1-CG 4.07Å; L318-P325 HydrophobicContact CD2-CG 4.3Å; L318-Y336 HydrophobicContact CB-CD1 3.63Å; L318-Y336 HydrophobicContact CB-CE1 4.27Å; L318-Y336 WeakPolarHBondContact CD1-O 3.36Å; L318-Y336 VanDerWaalsContact O-CE1 3.23Å; L318-Y336 WeakPolarHBondContact O-CE1 3.24Å
319I89.3Confident89.8Confident92 Ų9278.7 Ų78.747%0.47240%0.395SS..Hα-helixtrans-65.8-38.2176.1-59.8174.3000110.3H316 Q317 Y336H316-I319 VanDerWaalsContact O-CB 3.23Å; H316-I319 WeakPolarHBondContact O-CB 3.37Å; H316-I319 WeakPolarHBondContact O-CG1 3.27Å; H316-I319 PolarHBondContact O-N 3Å; Q317-I319 PolarHBondContact O-N 3.13Å; I319-Y336 HydrophobicContact CG1-CD2 4.47Å; I319-Y336 HydrophobicContact CG1-CE2 4.41Å
320H89Confident89.7Confident68 Ų6882 Ų8232%0.31541%0.41SS..Hα-helixtrans-73.8-38.6180-67.1-64.5000112.7C300 C303 H316 Q317 L318 G322C300-H320 PolarHBondContact SG-NE2 3.04Å; C300-H320 VanDerWaalsContact SG-NE2 3.43Å; C303-H320 PolarHBondContact SG-NE2 2.76Å; C303-H320 VanDerWaalsContact SG-NE2 3.37Å; H316-H320 AromaticContact CE1-NE2 3.87Å; H316-H320 AromaticContact NE2-CD2 3.97Å; H316-H320 AromaticContact NE2-NE2 3.3Å; H316-H320 PolarHBondContact NE2-NE2 2.96Å; Q317-H320 PolarHBondContact O-N 3.09Å; Q317-H320 VanDerWaalsContact O-N 3.13Å; L318-H320 VanDerWaalsContact C-N 3.29Å; L318-H320 PolarHBondContact O-N 3.08Å; H320-G322 PolarHBondContact O-N 2.75Å
321T88Confident89.6Confident83 Ų8377.9 Ų77.951%0.50940%0.398SS..Hα-helixtrans-78.6-10.7177.261.20000112.8Q317 L318 R323Q317-T321 PolarHBondContact O-N 3.22Å; L318-T321 WeakPolarHBondContact CA-OG1 3.41Å; L318-T321 PolarHBondContact O-OG1 3.31Å; T321-R323 PolarHBondContact O-N 2.62Å; T321-R323 PolarHBondContact OG1-N 2.69Å
322G86.9Confident89.6Confident43 Ų4376.2 Ų76.244%0.44339%0.393SS..  trans65.9-1.7-173.600000114.3L318 H320 K324L318-G322 PolarHBondContact O-N 3.44Å; H320-G322 PolarHBondContact O-N 2.75Å; G322-K324 PolarHBondContact O-N 3.41Å
323R87.6Confident89.6Confident188 Ų18879.8 Ų79.871%0.70941%0.407SS*.  trans-69.1129.2-179.7-75.5-169.7173.8-131.91.3110L318 T321 P325 Y336L318-R323 HydrophobicContact CD2-CB 4.44Å; L318-R323 PolarHBondContact O-N 3.41Å; T321-R323 PolarHBondContact O-N 2.62Å; T321-R323 PolarHBondContact OG1-N 2.69Å; R323-P325 WeakPolarHBondContact O-CD 2.9Å; R323-Y336 WeakPolarHBondContact O-CD1 3.32Å; R323-Y336 VanDerWaalsContact O-CE1 3.25Å; R323-Y336 WeakPolarHBondContact O-CE1 3.38Å
324K90.3Very high89.6Confident98 Ų9880.6 Ų80.643%0.42642%0.416SS..  trans-120.886.3176.4-68.2177.5-174.5177.40108.9G322 Y326 A334 F335 Y336G322-K324 PolarHBondContact O-N 3.41Å; K324-Y326 PolarHBondContact O-N 3.48Å; K324-Y326 VanDerWaalsContact O-N 3.1Å; K324-A334 HydrophobicContact CB-CB 3.44Å; K324-A334 VanDerWaalsContact CB-CB 3.44Å; K324-A334 HydrophobicContact CD-CB 4Å; K324-A334 WeakPolarHBondContact CD-O 2.95Å; K324-A334 HydrophobicContact CG-CB 4.4Å; K324-F335 CarbonylContact C-O 3.49Å; K324-F335 WeakPolarHBondContact CA-O 3.36Å; K324-Y336 HydrophobicContact CD-CE1 4.36Å; K324-Y336 HydrophobicContact CD-CE2 4.47Å; K324-Y336 VanDerWaalsContact CE-CZ 3.49Å; K324-Y336 WeakPolarHBondContact CE-OH 3.3Å; K324-Y336 HydrophobicContact CG-CD1 3.71Å; K324-Y336 HydrophobicContact CG-CD2 4.48Å; K324-Y336 HydrophobicContact CG-CE1 3.41Å; K324-Y336 VanDerWaalsContact CG-CE1 3.41Å; K324-Y336 HydrophobicContact CG-CE2 4.23Å; K324-Y336 HydrophobicContact CG-CG 4.25Å
325P88.1Confident89.6Confident79 Ų7979.3 Ų79.351%0.51340%0.404SS..  trans-66.5-16-168.8-21.133.2000114.6L318 R323L318-P325 HydrophobicContact CD1-CG 4.07Å; L318-P325 HydrophobicContact CD2-CG 4.3Å; R323-P325 WeakPolarHBondContact O-CD 2.9Å
326Y90.9Very high89.5Confident90 Ų9077.9 Ų77.935%0.35340%0.399SS..EExtended strand (participates in β ladder)trans-108.595.9-171.1-55.6-75.1000109.5K324 A334 F335 V338K324-Y326 PolarHBondContact O-N 3.48Å; K324-Y326 VanDerWaalsContact O-N 3.1Å; Y326-A334 CarbonylContact O-C 3.54Å; Y326-A334 WeakPolarHBondContact O-CA 3.47Å; Y326-F335 PolarHBondContact N-O 2.77Å; Y326-F335 PolarHBondContact O-N 3.12Å; Y326-V338 HydrophobicContact CD1-CB 4.44Å; Y326-V338 HydrophobicContact CD1-CG2 3.49Å; Y326-V338 VanDerWaalsContact CD1-CG2 3.49Å; Y326-V338 HydrophobicContact CE1-CB 4.37Å; Y326-V338 HydrophobicContact CE1-CG2 3.1Å; Y326-V338 HydrophobicContact CE2-CG2 4.33Å; Y326-V338 HydrophobicContact CG-CG2 4.24Å
327E91.3Very high89.3Confident116 Ų11677 Ų7754%0.54240%0.396SS..EExtended strand (participates in β ladder)trans-93.4141.9179.2-168.3170.5172.100111.7G332E327-G332 WeakPolarHBondContact OE1-CA 3.48Å
328C91.7Very high89.2Confident0 Ų076.7 Ų76.70%040%0.399CS..  trans-84.9115.4171.2-178.70000109.7E330 C331 G332 K333 F335 L341C328-E330 PolarHBondContact O-N 3.24Å; C328-E330 VanDerWaalsContact O-N 3.14Å; C328-C331 PolarHBondContact O-N 3.07Å; C328-G332 WeakPolarHBondContact O-CA 3.38Å; C328-G332 PolarHBondContact O-N 3.33Å; C328-K333 WeakPolarHBondContact CB-O 3.41Å; C328-K333 PolarHBondContact N-O 2.73Å; C328-F335 HydrophobicContact CB-CE2 4.49Å; C328-L341 HydrophobicContact CB-CD1 3.61Å
329N89.8Confident88.9Confident156 Ų15678.6 Ų78.683%0.83442%0.415SS*.THydrogen-bonded Turntrans-60.5-23.9179.4-62.9-11000113.6
330E88.1Confident88.8Confident125 Ų12576.2 Ų76.258%0.58441%0.407SS*.THydrogen-bonded Turntrans-84.5-27.5-176.8-63.4-179.5-134.500113.9C328 H348C328-E330 PolarHBondContact O-N 3.24Å; C328-E330 VanDerWaalsContact O-N 3.14Å; E330-H348 WeakPolarHBondContact OE2-CB 3.45Å; E330-H348 IonicContact OE2-CG 3.25Å; E330-H348 VanDerWaalsContact OE2-CG 3.25Å; E330-H348 IonicContact OE2-ND1 3.35Å; E330-H348 PolarHBondContact OE2-ND1 3.26Å
331C89.4Confident88.8Confident53 Ų5373.8 Ų73.836%0.35840%0.396SS..THydrogen-bonded Turntrans-1397.1-176.7720000115.5C328 K333 H344 H348C328-C331 PolarHBondContact O-N 3.07Å; C331-K333 PolarHBondContact O-N 3.45Å; C331-H344 PolarHBondContact SG-NE2 3.47Å; C331-H348 PolarHBondContact SG-NE2 3.34Å
332G88.1Confident88.8Confident39 Ų3973.5 Ų73.540%0.40239%0.392SS..  trans66.25.6-179.700000114.6E327 C328 A334E327-G332 WeakPolarHBondContact OE1-CA 3.48Å; C328-G332 WeakPolarHBondContact O-CA 3.38Å; C328-G332 PolarHBondContact O-N 3.33Å; G332-A334 PolarHBondContact O-N 3.22Å
333K89.3Confident88.6Confident124 Ų12478 Ų7854%0.53940%0.395SS..  trans-72.4122.1178.9-75.5177.9-174.5161.80110C328 C331 F335C328-K333 WeakPolarHBondContact CB-O 3.41Å; C328-K333 PolarHBondContact N-O 2.73Å; C331-K333 PolarHBondContact O-N 3.45Å; K333-F335 HydrophobicContact CB-CE2 3.9Å; K333-F335 HydrophobicContact CB-CZ 4.1Å; K333-F335 WeakPolarHBondContact O-CD2 3.31Å; K333-F335 WeakPolarHBondContact O-CE2 3.19Å
334A91.6Very high88.6Confident33 Ų3370.5 Ų70.527%0.27337%0.368SS..EExtended strand (participates in β ladder)trans-95.5148177.700000113K324 Y326 G332K324-A334 HydrophobicContact CB-CB 3.44Å; K324-A334 VanDerWaalsContact CB-CB 3.44Å; K324-A334 HydrophobicContact CD-CB 4Å; K324-A334 WeakPolarHBondContact CD-O 2.95Å; K324-A334 HydrophobicContact CG-CB 4.4Å; Y326-A334 CarbonylContact O-C 3.54Å; Y326-A334 WeakPolarHBondContact O-CA 3.47Å; G332-A334 PolarHBondContact O-N 3.22Å
335F89.9Confident88.4Confident44 Ų4468.9 Ų68.919%0.19336%0.362CS..EExtended strand (participates in β ladder)trans-132.2156.1-177.6-60.2-89.9000111.8K324 Y326 C328 K333 G337 L341 H344K324-F335 CarbonylContact C-O 3.49Å; K324-F335 WeakPolarHBondContact CA-O 3.36Å; Y326-F335 PolarHBondContact N-O 2.77Å; Y326-F335 PolarHBondContact O-N 3.12Å; C328-F335 HydrophobicContact CB-CE2 4.49Å; K333-F335 HydrophobicContact CB-CE2 3.9Å; K333-F335 HydrophobicContact CB-CZ 4.1Å; K333-F335 WeakPolarHBondContact O-CD2 3.31Å; K333-F335 WeakPolarHBondContact O-CE2 3.19Å; F335-G337 VanDerWaalsContact C-N 3.31Å; F335-L341 HydrophobicContact CB-CB 4.46Å; F335-L341 HydrophobicContact CD2-CB 4.03Å; F335-L341 HydrophobicContact CD2-CD1 3.85Å; F335-L341 HydrophobicContact CE2-CD1 4.05Å; F335-L341 HydrophobicContact CG-CB 4.41Å; F335-H344 HydrophobicContact CE1-CB 3.97Å; F335-H344 HydrophobicContact CE2-CB 3.86Å; F335-H344 AromaticContact CE2-CD2 3.24Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.39Å; F335-H344 AromaticContact CE2-CG 3.64Å; F335-H344 AromaticContact CE2-NE2 3.98Å; F335-H344 HydrophobicContact CZ-CB 3.4Å; F335-H344 VanDerWaalsContact CZ-CB 3.4Å; F335-H344 AromaticContact CZ-CD2 3.31Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.21Å; F335-H344 AromaticContact CZ-CG 3.23Å; F335-H344 AromaticContact CZ-ND1 3.91Å; F335-H344 AromaticContact CZ-NE2 3.94Å
336Y87.1Confident88.1Confident73 Ų7368.9 Ų68.929%0.28635%0.354SS..SBendtrans-80.1-8.6176.6-61.8-68.3000113.8R315 L318 I319 R323 K324R315-Y336 WeakPolarHBondContact CG-O 3.27Å; L318-Y336 HydrophobicContact CB-CD1 3.63Å; L318-Y336 HydrophobicContact CB-CE1 4.27Å; L318-Y336 WeakPolarHBondContact CD1-O 3.36Å; L318-Y336 VanDerWaalsContact O-CE1 3.23Å; L318-Y336 WeakPolarHBondContact O-CE1 3.24Å; I319-Y336 HydrophobicContact CG1-CD2 4.47Å; I319-Y336 HydrophobicContact CG1-CE2 4.41Å; R323-Y336 WeakPolarHBondContact O-CD1 3.32Å; R323-Y336 VanDerWaalsContact O-CE1 3.25Å; R323-Y336 WeakPolarHBondContact O-CE1 3.38Å; K324-Y336 HydrophobicContact CD-CE1 4.36Å; K324-Y336 HydrophobicContact CD-CE2 4.47Å; K324-Y336 VanDerWaalsContact CE-CZ 3.49Å; K324-Y336 WeakPolarHBondContact CE-OH 3.3Å; K324-Y336 HydrophobicContact CG-CD1 3.71Å; K324-Y336 HydrophobicContact CG-CD2 4.48Å; K324-Y336 HydrophobicContact CG-CE1 3.41Å; K324-Y336 VanDerWaalsContact CG-CE1 3.41Å; K324-Y336 HydrophobicContact CG-CE2 4.23Å; K324-Y336 HydrophobicContact CG-CG 4.25Å
337G88.4Confident87.7Confident3 Ų366.6 Ų66.63%0.03135%0.354CS..SBendtrans-157.7145.8-179.600000113.8F335 S339 S340 L341F335-G337 VanDerWaalsContact C-N 3.31Å; G337-S339 VanDerWaalsContact C-N 3.3Å; G337-S339 PolarHBondContact O-N 3.13Å; G337-S340 WeakPolarHBondContact O-CB 3.47Å; G337-S340 PolarHBondContact O-N 3.49Å; G337-L341 PolarHBondContact O-N 2.99Å; G337-L341 VanDerWaalsContact O-N 3.16Å
338V87.4Confident87.2Confident66 Ų6664.5 Ų64.540%0.434%0.344SS..Hα-helixtrans-51.4-44.6178.8-176.90000112.5Y326 S340 L341 N342Y326-V338 HydrophobicContact CD1-CB 4.44Å; Y326-V338 HydrophobicContact CD1-CG2 3.49Å; Y326-V338 VanDerWaalsContact CD1-CG2 3.49Å; Y326-V338 HydrophobicContact CE1-CB 4.37Å; Y326-V338 HydrophobicContact CE1-CG2 3.1Å; Y326-V338 HydrophobicContact CE2-CG2 4.33Å; Y326-V338 HydrophobicContact CG-CG2 4.24Å; V338-S340 PolarHBondContact O-N 3.05Å; V338-L341 CarbonylContact O-C 3.53Å; V338-L341 WeakPolarHBondContact O-CB 3.38Å; V338-L341 PolarHBondContact O-N 3.09Å; V338-L341 VanDerWaalsContact O-N 3.09Å; V338-N342 PolarHBondContact O-N 2.91Å; V338-N342 PolarHBondContact O-OD1 3.29Å
339S85.4Confident86.6Confident77 Ų7768.3 Ų68.354%0.53838%0.375SS..Hα-helixtrans-63.8-28.3-179.425.50000113.2G337 R343G337-S339 VanDerWaalsContact C-N 3.3Å; G337-S339 PolarHBondContact O-N 3.13Å; S339-R343 WeakPolarHBondContact O-CB 3.42Å; S339-R343 PolarHBondContact O-N 3.42Å
340S86.8Confident85.6Confident43 Ų4363.6 Ų63.630%0.30136%0.364SS..Hα-helixtrans-75.5-40.1173-60.50000111.6G337 V338 R343 H344G337-S340 WeakPolarHBondContact O-CB 3.47Å; G337-S340 PolarHBondContact O-N 3.49Å; V338-S340 PolarHBondContact O-N 3.05Å; S340-R343 PolarHBondContact O-N 3.43Å; S340-H344 WeakPolarHBondContact O-CB 3.06Å; S340-H344 PolarHBondContact O-N 3.48Å
341L89.3Confident84.7Confident16 Ų1662.6 Ų62.68%0.08436%0.363CS..Hα-helixtrans-61.2-50.9173.117462.5000111.1C328 F335 G337 V338 R343 H344 Q345C328-L341 HydrophobicContact CB-CD1 3.61Å; F335-L341 HydrophobicContact CB-CB 4.46Å; F335-L341 HydrophobicContact CD2-CB 4.03Å; F335-L341 HydrophobicContact CD2-CD1 3.85Å; F335-L341 HydrophobicContact CE2-CD1 4.05Å; F335-L341 HydrophobicContact CG-CB 4.41Å; G337-L341 PolarHBondContact O-N 2.99Å; G337-L341 VanDerWaalsContact O-N 3.16Å; V338-L341 CarbonylContact O-C 3.53Å; V338-L341 WeakPolarHBondContact O-CB 3.38Å; V338-L341 PolarHBondContact O-N 3.09Å; V338-L341 VanDerWaalsContact O-N 3.09Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.4Å; L341-H344 CarbonylContact O-C 3.59Å; L341-H344 WeakPolarHBondContact O-CA 3.45Å; L341-H344 WeakPolarHBondContact O-CB 3.43Å; L341-H344 PolarHBondContact O-N 3.41Å; L341-Q345 HydrophobicContact CD1-CG 4.05Å; L341-Q345 HydrophobicContact CG-CG 4.36Å; L341-Q345 WeakPolarHBondContact O-CG 3.26Å; L341-Q345 PolarHBondContact O-N 2.97Å
342N86.7Confident83.8Confident78 Ų7862 Ų6242%0.41736%0.358SS..Hα-helixtrans-59.4-39.5179.2-68.36.4000111.7V338 H344 K346V338-N342 PolarHBondContact O-N 2.91Å; V338-N342 PolarHBondContact O-OD1 3.29Å; N342-H344 VanDerWaalsContact C-N 3.32Å; N342-K346 WeakPolarHBondContact O-CG 3.33Å; N342-K346 PolarHBondContact O-N 2.99Å
343R83.9Confident83.4Confident136 Ų13668 Ų6851%0.51337%0.368SS..Hα-helixtrans-64.7-39.6174178.2174.458.1-178.7-2.5111.6S339 S340 L341 K346 D365S339-R343 WeakPolarHBondContact O-CB 3.42Å; S339-R343 PolarHBondContact O-N 3.42Å; S340-R343 PolarHBondContact O-N 3.43Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.4Å; R343-K346 PolarHBondContact O-N 3.48Å; R343-D365 WeakPolarHBondContact CD-OD2 3.4Å; R343-D365 IonicContact NH1-OD2 3.41Å; R343-D365 PolarHBondContact NH1-OD2 2.95Å
344H86.4Confident83.1Confident31 Ų3165.9 Ų65.914%0.14436%0.357CS..Hα-helixtrans-67.8-42177.4169.859.2000112.4C331 F335 S340 L341 N342 K346 A347 H348C331-H344 PolarHBondContact SG-NE2 3.47Å; F335-H344 HydrophobicContact CE1-CB 3.97Å; F335-H344 HydrophobicContact CE2-CB 3.86Å; F335-H344 AromaticContact CE2-CD2 3.24Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.39Å; F335-H344 AromaticContact CE2-CG 3.64Å; F335-H344 AromaticContact CE2-NE2 3.98Å; F335-H344 HydrophobicContact CZ-CB 3.4Å; F335-H344 VanDerWaalsContact CZ-CB 3.4Å; F335-H344 AromaticContact CZ-CD2 3.31Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.21Å; F335-H344 AromaticContact CZ-CG 3.23Å; F335-H344 AromaticContact CZ-ND1 3.91Å; F335-H344 AromaticContact CZ-NE2 3.94Å; S340-H344 WeakPolarHBondContact O-CB 3.06Å; S340-H344 PolarHBondContact O-N 3.48Å; L341-H344 CarbonylContact O-C 3.59Å; L341-H344 WeakPolarHBondContact O-CA 3.45Å; L341-H344 WeakPolarHBondContact O-CB 3.43Å; L341-H344 PolarHBondContact O-N 3.41Å; N342-H344 VanDerWaalsContact C-N 3.32Å; H344-K346 PolarHBondContact O-N 3.07Å; H344-A347 WeakPolarHBondContact O-CA 3.43Å; H344-A347 WeakPolarHBondContact O-CB 3.32Å; H344-A347 PolarHBondContact O-N 3.37Å; H344-H348 AromaticContact CE1-CD2 3.85Å; H344-H348 AromaticContact CE1-NE2 3.29Å; H344-H348 PolarHBondContact CE1-NE2 3.4Å; H344-H348 VanDerWaalsContact CE1-NE2 3.29Å; H344-H348 AromaticContact NE2-CD2 3.75Å; H344-H348 AromaticContact NE2-NE2 3.19Å; H344-H348 PolarHBondContact NE2-NE2 2.85Å; H344-H348 VanDerWaalsContact NE2-NE2 3.19Å
345Q86.1Confident82.9Confident64 Ų6470 Ų7030%0.29937%0.371SS..Hα-helixtrans-60.1-32.8176-74.2172.7-42.700112.6L341 A347 H348 A349L341-Q345 HydrophobicContact CD1-CG 4.05Å; L341-Q345 HydrophobicContact CG-CG 4.36Å; L341-Q345 WeakPolarHBondContact O-CG 3.26Å; L341-Q345 PolarHBondContact O-N 2.97Å; Q345-A347 PolarHBondContact O-N 2.83Å; Q345-H348 WeakPolarHBondContact O-CB 3.29Å; Q345-H348 PolarHBondContact O-N 2.94Å; Q345-A349 PolarHBondContact O-N 3.43Å
346K83.6Confident83Confident79 Ų7967.9 Ų67.934%0.34336%0.362SS..Hα-helixtrans-59.5-27171.9-70.8176.8-178.2-172.50113.4N342 R343 H344 H348 F364N342-K346 WeakPolarHBondContact O-CG 3.33Å; N342-K346 PolarHBondContact O-N 2.99Å; R343-K346 PolarHBondContact O-N 3.48Å; H344-K346 PolarHBondContact O-N 3.07Å; K346-H348 VanDerWaalsContact C-N 3.32Å; K346-F364 VanDerWaalsContact O-CD1 3.28Å; K346-F364 WeakPolarHBondContact O-CD1 3.36Å; K346-F364 WeakPolarHBondContact O-CE1 3.49Å
347A81Confident83Confident43 Ų4371.8 Ų71.836%0.35539%0.388SS..Hα-helixtrans-73.8-26.8175.400000112.5H344 Q345 F364H344-A347 WeakPolarHBondContact O-CA 3.43Å; H344-A347 WeakPolarHBondContact O-CB 3.32Å; H344-A347 PolarHBondContact O-N 3.37Å; Q345-A347 PolarHBondContact O-N 2.83Å; A347-F364 HydrophobicContact CB-CD1 4.45Å; A347-F364 HydrophobicContact CB-CD2 4.02Å; A347-F364 HydrophobicContact CB-CE1 4.43Å; A347-F364 HydrophobicContact CB-CE2 3.99Å; A347-F364 HydrophobicContact CB-CG 4.25Å; A347-F364 HydrophobicContact CB-CZ 4.19Å
348H82.1Confident83Confident71 Ų7177.7 Ų77.733%0.32942%0.415SS..Hα-helixtrans-74.9-39.4175-77.3-75.4000112.8E330 C331 H344 Q345 K346 G350E330-H348 WeakPolarHBondContact OE2-CB 3.45Å; E330-H348 IonicContact OE2-CG 3.25Å; E330-H348 VanDerWaalsContact OE2-CG 3.25Å; E330-H348 IonicContact OE2-ND1 3.35Å; E330-H348 PolarHBondContact OE2-ND1 3.26Å; C331-H348 PolarHBondContact SG-NE2 3.34Å; H344-H348 AromaticContact CE1-CD2 3.85Å; H344-H348 AromaticContact CE1-NE2 3.29Å; H344-H348 PolarHBondContact CE1-NE2 3.4Å; H344-H348 VanDerWaalsContact CE1-NE2 3.29Å; H344-H348 AromaticContact NE2-CD2 3.75Å; H344-H348 AromaticContact NE2-NE2 3.19Å; H344-H348 PolarHBondContact NE2-NE2 2.85Å; H344-H348 VanDerWaalsContact NE2-NE2 3.19Å; Q345-H348 WeakPolarHBondContact O-CB 3.29Å; Q345-H348 PolarHBondContact O-N 2.94Å; K346-H348 VanDerWaalsContact C-N 3.32Å; H348-G350 PolarHBondContact O-N 3.45Å
349A78.2Confident83.1Confident80 Ų8077.1 Ų77.166%0.66141%0.413SS*.SBendtrans-61.4-8.6177.900000114Q345 D351Q345-A349 PolarHBondContact O-N 3.43Å; A349-D351 PolarHBondContact O-N 3.06Å
350G69.2Low83.1Confident57 Ų5775.3 Ų75.359%0.58841%0.406SS*.  trans69.8-0.6170.300000115.7H348 P352H348-G350 PolarHBondContact O-N 3.45Å; G350-P352 VanDerWaalsContact O-CD 3.31Å; G350-P352 WeakPolarHBondContact O-CD 3.45Å
351D68.2Low83.1Confident105 Ų10579.3 Ų79.356%0.56142%0.418SS*.  trans-10893.5-179.5179.918.8000111.4A349 R353A349-D351 PolarHBondContact O-N 3.06Å; D351-R353 PolarHBondContact O-N 2.93Å; D351-R353 VanDerWaalsContact O-N 3.17Å
352P71.9Confident82.9Confident39 Ų3980.8 Ų80.825%0.25343%0.433SS..  trans-79.4101.8177.87.511.9000109.2G350 Y354 A362 F363 F364G350-P352 VanDerWaalsContact O-CD 3.31Å; G350-P352 WeakPolarHBondContact O-CD 3.45Å; P352-Y354 PolarHBondContact O-N 3.31Å; P352-Y354 VanDerWaalsContact O-N 3.09Å; P352-A362 HydrophobicContact CB-CB 3.66Å; P352-A362 HydrophobicContact CG-CB 3.73Å; P352-F363 CarbonylContact C-O 3.38Å; P352-F363 WeakPolarHBondContact CB-O 3.07Å; P352-F364 HydrophobicContact CB-CD1 3.88Å; P352-F364 HydrophobicContact CB-CE1 3.8Å; P352-F364 HydrophobicContact CB-CG 4.43Å; P352-F364 HydrophobicContact CB-CZ 4.3Å; P352-F364 HydrophobicContact CG-CD1 4.47Å; P352-F364 HydrophobicContact CG-CE1 3.89Å; P352-F364 HydrophobicContact CG-CZ 4.18Å
353R79.1Confident82.8Confident166 Ų16679.1 Ų79.163%0.62642%0.422SS*.  trans-65.5-13.1-174.3-53.1-174.5-162-173.6-0.7115.7D351D351-R353 PolarHBondContact O-N 2.93Å; D351-R353 VanDerWaalsContact O-N 3.17Å
354Y83.6Confident82.8Confident79 Ų7976.1 Ų76.131%0.3141%0.413SS..EExtended strand (participates in β ladder)trans-117.695.2-171.5-59.3-73.9000110.7P352 A362 F363 D365 R366P352-Y354 PolarHBondContact O-N 3.31Å; P352-Y354 VanDerWaalsContact O-N 3.09Å; Y354-A362 CarbonylContact O-C 3.54Å; Y354-A362 WeakPolarHBondContact O-CA 3.41Å; Y354-F363 WeakPolarHBondContact CB-O 3.45Å; Y354-F363 PolarHBondContact N-O 3.5Å; Y354-F363 VanDerWaalsContact N-O 3.11Å; Y354-F363 PolarHBondContact O-N 3.16Å; Y354-D365 VanDerWaalsContact CD2-C 3.42Å; Y354-R366 HydrophobicContact CD1-CB 4.17Å; Y354-R366 HydrophobicContact CE1-CB 3.96Å; Y354-R366 HydrophobicContact CE1-CG 4.47Å; Y354-R366 HydrophobicContact CE2-CB 4.46Å
355Q87.1Confident82.5Confident119 Ų11976 Ų7656%0.55641%0.413SS*.EExtended strand (participates in β ladder)trans-89141.5177.7-162.6174.221.300111.9G360Q355-G360 WeakPolarHBondContact CG-O 3.43Å; Q355-G360 PolarHBondContact NE2-O 3.4Å; Q355-G360 VanDerWaalsContact NE2-O 3.08Å
356C90.5Very high82.5Confident1 Ų181.3 Ų81.31%0.00743%0.431CS..  trans-81.9116.8167.81790000109.7E358 C359 G360 K361 F363 L369 H376C356-E358 PolarHBondContact O-N 3.37Å; C356-C359 PolarHBondContact O-N 3.32Å; C356-G360 VanDerWaalsContact O-CA 3.26Å; C356-G360 WeakPolarHBondContact O-CA 3.29Å; C356-G360 PolarHBondContact O-N 3.17Å; C356-K361 WeakPolarHBondContact CB-O 3.43Å; C356-K361 PolarHBondContact N-O 3.19Å; C356-F363 HydrophobicContact CB-CE2 4.37Å; C356-L369 HydrophobicContact CB-CD1 3.64Å; C356-H376 PolarHBondContact SG-NE2 2.92Å; C356-H376 VanDerWaalsContact SG-NE2 3.4Å
357N88.6Confident82.6Confident154 Ų15481.9 Ų81.982%0.82444%0.444SS*.THydrogen-bonded Turntrans-63.2-25.2-178.8-61.9-6.5000113.4
358E88.6Confident82.9Confident128 Ų12882.4 Ų82.460%0.59845%0.445SS*.THydrogen-bonded Turntrans-87.6-27.5-174.4-65.7170.4-174.300113.6C356 H376C356-E358 PolarHBondContact O-N 3.37Å; E358-H376 WeakPolarHBondContact OE2-CB 3.49Å; E358-H376 IonicContact OE2-CD2 3.66Å; E358-H376 PolarHBondContact OE2-CD2 3.38Å; E358-H376 IonicContact OE2-CG 3.96Å; E358-H376 IonicContact OE2-NE2 3.49Å
359C89.6Confident83.3Confident54 Ų5479.8 Ų79.837%0.36543%0.434SS..THydrogen-bonded Turntrans-1346.3-177.373.80000114.5C356 K361 H372 H376C356-C359 PolarHBondContact O-N 3.32Å; C359-K361 PolarHBondContact O-N 3.32Å; C359-H372 PolarHBondContact SG-NE2 3.49Å; C359-H376 PolarHBondContact SG-NE2 2.8Å; C359-H376 VanDerWaalsContact SG-NE2 3.41Å
360G85.2Confident83.8Confident39 Ų3979 Ų7940%0.40242%0.421SS..  trans69.1-5.8178.500000115.7Q355 C356 A362Q355-G360 WeakPolarHBondContact CG-O 3.43Å; Q355-G360 PolarHBondContact NE2-O 3.4Å; Q355-G360 VanDerWaalsContact NE2-O 3.08Å; C356-G360 VanDerWaalsContact O-CA 3.26Å; C356-G360 WeakPolarHBondContact O-CA 3.29Å; C356-G360 PolarHBondContact O-N 3.17Å; G360-A362 PolarHBondContact O-N 2.98Å
361K86Confident84.8Confident126 Ų12678.8 Ų78.855%0.54841%0.405SS..  trans-64.3131.5-179-72.2-179.1-178.8175.70111.4C356 C359 F363C356-K361 WeakPolarHBondContact CB-O 3.43Å; C356-K361 PolarHBondContact N-O 3.19Å; C359-K361 PolarHBondContact O-N 3.32Å; K361-F363 HydrophobicContact CB-CE2 3.92Å; K361-F363 HydrophobicContact CB-CZ 4.18Å; K361-F363 WeakPolarHBondContact O-CE2 2.91Å
362A86.2Confident85.8Confident48 Ų4874.7 Ų74.740%0.39738%0.382SS..EExtended strand (participates in β ladder)trans-104.9143.2-176.700000111.9P352 Y354 G360P352-A362 HydrophobicContact CB-CB 3.66Å; P352-A362 HydrophobicContact CG-CB 3.73Å; Y354-A362 CarbonylContact O-C 3.54Å; Y354-A362 WeakPolarHBondContact O-CA 3.41Å; G360-A362 PolarHBondContact O-N 2.98Å
363F84.5Confident86.7Confident42 Ų4276.2 Ų76.218%0.18439%0.386CS..EExtended strand (participates in β ladder)trans-130.4150.6-175.3-60.9-90.6000110.9P352 Y354 C356 K361 L369 H372P352-F363 CarbonylContact C-O 3.38Å; P352-F363 WeakPolarHBondContact CB-O 3.07Å; Y354-F363 WeakPolarHBondContact CB-O 3.45Å; Y354-F363 PolarHBondContact N-O 3.5Å; Y354-F363 VanDerWaalsContact N-O 3.11Å; Y354-F363 PolarHBondContact O-N 3.16Å; C356-F363 HydrophobicContact CB-CE2 4.37Å; K361-F363 HydrophobicContact CB-CE2 3.92Å; K361-F363 HydrophobicContact CB-CZ 4.18Å; K361-F363 WeakPolarHBondContact O-CE2 2.91Å; F363-L369 HydrophobicContact CB-CB 4.28Å; F363-L369 HydrophobicContact CD2-CB 4Å; F363-L369 HydrophobicContact CD2-CD1 3.79Å; F363-L369 HydrophobicContact CE2-CD1 4.01Å; F363-L369 HydrophobicContact CG-CB 4.27Å; F363-H372 HydrophobicContact CE1-CB 3.88Å; F363-H372 HydrophobicContact CE2-CB 3.84Å; F363-H372 AromaticContact CE2-CD2 3.45Å; F363-H372 VanDerWaalsContact CE2-CD2 3.45Å; F363-H372 WeakPolarHBondContact CE2-CD2 3.44Å; F363-H372 AromaticContact CE2-CG 3.6Å; F363-H372 HydrophobicContact CZ-CB 3.36Å; F363-H372 AromaticContact CZ-CD2 3.53Å; F363-H372 AromaticContact CZ-CG 3.18Å; F363-H372 AromaticContact CZ-ND1 3.63Å
364F82.3Confident87.2Confident74 Ų7470.3 Ų70.333%0.32537%0.365SS..SBendtrans-84.1-16.2-179.9-60.5-71.5000114.1K346 A347 P352K346-F364 VanDerWaalsContact O-CD1 3.28Å; K346-F364 WeakPolarHBondContact O-CD1 3.36Å; K346-F364 WeakPolarHBondContact O-CE1 3.49Å; A347-F364 HydrophobicContact CB-CD1 4.45Å; A347-F364 HydrophobicContact CB-CD2 4.02Å; A347-F364 HydrophobicContact CB-CE1 4.43Å; A347-F364 HydrophobicContact CB-CE2 3.99Å; A347-F364 HydrophobicContact CB-CG 4.25Å; A347-F364 HydrophobicContact CB-CZ 4.19Å; P352-F364 HydrophobicContact CB-CD1 3.88Å; P352-F364 HydrophobicContact CB-CE1 3.8Å; P352-F364 HydrophobicContact CB-CG 4.43Å; P352-F364 HydrophobicContact CB-CZ 4.3Å; P352-F364 HydrophobicContact CG-CD1 4.47Å; P352-F364 HydrophobicContact CG-CE1 3.89Å; P352-F364 HydrophobicContact CG-CZ 4.18Å
365D81Confident87.4Confident28 Ų2872 Ų7215%0.1538%0.378CS..SBendtrans-137.5151.6173.672.914.6000113R343 Y354 S367 S368 L369R343-D365 WeakPolarHBondContact CD-OD2 3.4Å; R343-D365 IonicContact NH1-OD2 3.41Å; R343-D365 PolarHBondContact NH1-OD2 2.95Å; Y354-D365 VanDerWaalsContact CD2-C 3.42Å; D365-S367 VanDerWaalsContact C-N 3.26Å; D365-S367 PolarHBondContact O-N 2.98Å; D365-S368 PolarHBondContact O-N 3.05Å; D365-S368 WeakPolarHBondContact OD1-CA 3.24Å; D365-S368 WeakPolarHBondContact OD1-CB 3.27Å; D365-S368 PolarHBondContact OD1-N 3.49Å; D365-S368 PolarHBondContact OD1-OG 2.89Å; D365-L369 PolarHBondContact O-N 3.48Å
366R85.7Confident87.5Confident176 Ų17669.9 Ų69.966%0.66437%0.368SS*.Hα-helixtrans-62.7-33.9-179.6-170.6175-179163.22.6112Y354 L369 T370Y354-R366 HydrophobicContact CD1-CB 4.17Å; Y354-R366 HydrophobicContact CE1-CB 3.96Å; Y354-R366 HydrophobicContact CE1-CG 4.47Å; Y354-R366 HydrophobicContact CE2-CB 4.46Å; R366-L369 PolarHBondContact O-N 3.37Å; R366-T370 PolarHBondContact O-N 2.95Å; R366-T370 PolarHBondContact O-OG1 3.38Å; R366-T370 VanDerWaalsContact O-OG1 3.07Å
367S86.3Confident87.4Confident90 Ų9074.3 Ų74.363%0.62940%0.395SS*.Hα-helixtrans-64.2-40.6179.1-59.70000112.4D365 T370 Q371D365-S367 VanDerWaalsContact C-N 3.26Å; D365-S367 PolarHBondContact O-N 2.98Å; S367-T370 PolarHBondContact O-N 3.32Å; S367-Q371 VanDerWaalsContact O-CB 3.32Å; S367-Q371 WeakPolarHBondContact O-CB 3.04Å; S367-Q371 PolarHBondContact O-N 3.02Å
368S87.4Confident87.2Confident54 Ų5469 Ų6938%0.37838%0.377SS..Hα-helixtrans-67.9-40.5175.8-59.20000111.2D365 Q371 H372D365-S368 PolarHBondContact O-N 3.05Å; D365-S368 WeakPolarHBondContact OD1-CA 3.24Å; D365-S368 WeakPolarHBondContact OD1-CB 3.27Å; D365-S368 PolarHBondContact OD1-N 3.49Å; D365-S368 PolarHBondContact OD1-OG 2.89Å; S368-Q371 PolarHBondContact O-N 3.39Å; S368-H372 VanDerWaalsContact O-CB 3.27Å; S368-H372 WeakPolarHBondContact O-CB 3.48Å; S368-H372 PolarHBondContact O-N 3.39Å
369L90.3Very high87.2Confident17 Ų1766.4 Ų66.49%0.08937%0.367CS..Hα-helixtrans-60.2-50.8173.117461.7000111.3C356 F363 D365 R366 Q371 H372 Q373C356-L369 HydrophobicContact CB-CD1 3.64Å; F363-L369 HydrophobicContact CB-CB 4.28Å; F363-L369 HydrophobicContact CD2-CB 4Å; F363-L369 HydrophobicContact CD2-CD1 3.79Å; F363-L369 HydrophobicContact CE2-CD1 4.01Å; F363-L369 HydrophobicContact CG-CB 4.27Å; D365-L369 PolarHBondContact O-N 3.48Å; R366-L369 PolarHBondContact O-N 3.37Å; L369-Q371 VanDerWaalsContact C-N 3.28Å; L369-Q371 PolarHBondContact O-N 2.85Å; L369-H372 CarbonylContact O-C 3.55Å; L369-H372 WeakPolarHBondContact O-CA 3.24Å; L369-H372 WeakPolarHBondContact O-CB 3.2Å; L369-H372 PolarHBondContact O-N 3.31Å; L369-Q373 HydrophobicContact CD1-CG 4.14Å; L369-Q373 HydrophobicContact CG-CG 4.44Å; L369-Q373 WeakPolarHBondContact O-CG 3.37Å; L369-Q373 PolarHBondContact O-N 3.44Å
370T89.4Confident87.2Confident64 Ų6469.6 Ų69.639%0.39338%0.375SS..Hα-helixtrans-59.8-40178.3-60.40000111.9R366 S367 H372 Q373R366-T370 PolarHBondContact O-N 2.95Å; R366-T370 PolarHBondContact O-OG1 3.38Å; R366-T370 VanDerWaalsContact O-OG1 3.07Å; S367-T370 PolarHBondContact O-N 3.32Å; T370-H372 VanDerWaalsContact C-N 3.31Å; T370-H372 PolarHBondContact O-N 3.23Å; T370-Q373 PolarHBondContact O-N 2.8Å
371Q88.9Confident87.5Confident51 Ų5171 Ų7124%0.23838%0.377CS..Hα-helixtrans-68.5-32.3175.7-179.753.762.200112.5S367 S368 L369 Q393S367-Q371 VanDerWaalsContact O-CB 3.32Å; S367-Q371 WeakPolarHBondContact O-CB 3.04Å; S367-Q371 PolarHBondContact O-N 3.02Å; S368-Q371 PolarHBondContact O-N 3.39Å; L369-Q371 VanDerWaalsContact C-N 3.28Å; L369-Q371 PolarHBondContact O-N 2.85Å; Q371-Q393 HydrophobicContact CG-CG 4.49Å; Q371-Q393 VanDerWaalsContact NE2-CG 3.31Å; Q371-Q393 VanDerWaalsContact NE2-NE2 3.2Å
372H89.6Confident87.8Confident20 Ų2069 Ų699%0.09337%0.367CS..Hα-helixtrans-70.6-41.4174.5169.172000112C359 F363 S368 L369 T370 K374 I375 H376C359-H372 PolarHBondContact SG-NE2 3.49Å; F363-H372 HydrophobicContact CE1-CB 3.88Å; F363-H372 HydrophobicContact CE2-CB 3.84Å; F363-H372 AromaticContact CE2-CD2 3.45Å; F363-H372 VanDerWaalsContact CE2-CD2 3.45Å; F363-H372 WeakPolarHBondContact CE2-CD2 3.44Å; F363-H372 AromaticContact CE2-CG 3.6Å; F363-H372 HydrophobicContact CZ-CB 3.36Å; F363-H372 AromaticContact CZ-CD2 3.53Å; F363-H372 AromaticContact CZ-CG 3.18Å; F363-H372 AromaticContact CZ-ND1 3.63Å; S368-H372 VanDerWaalsContact O-CB 3.27Å; S368-H372 WeakPolarHBondContact O-CB 3.48Å; S368-H372 PolarHBondContact O-N 3.39Å; L369-H372 CarbonylContact O-C 3.55Å; L369-H372 WeakPolarHBondContact O-CA 3.24Å; L369-H372 WeakPolarHBondContact O-CB 3.2Å; L369-H372 PolarHBondContact O-N 3.31Å; T370-H372 VanDerWaalsContact C-N 3.31Å; T370-H372 PolarHBondContact O-N 3.23Å; H372-K374 PolarHBondContact O-N 3.14Å; H372-K374 VanDerWaalsContact O-N 3.12Å; H372-I375 WeakPolarHBondContact O-CB 3.18Å; H372-I375 VanDerWaalsContact O-CG1 3.29Å; H372-I375 WeakPolarHBondContact O-CG1 3.28Å; H372-I375 PolarHBondContact O-N 2.87Å; H372-H376 AromaticContact CD2-NE2 3.94Å; H372-H376 AromaticContact CE1-NE2 3.71Å; H372-H376 AromaticContact NE2-CD2 3.98Å; H372-H376 AromaticContact NE2-CE1 3.94Å; H372-H376 AromaticContact NE2-NE2 3.13Å; H372-H376 PolarHBondContact NE2-NE2 3.45Å; H372-H376 VanDerWaalsContact NE2-NE2 3.13Å
373Q89.9Confident88.1Confident70 Ų7072.9 Ų72.933%0.32738%0.377SS..Hα-helixtrans-56.5-29.9178.2-75.1173-46.800112.9L369 T370 I375 H376 T377L369-Q373 HydrophobicContact CD1-CG 4.14Å; L369-Q373 HydrophobicContact CG-CG 4.44Å; L369-Q373 WeakPolarHBondContact O-CG 3.37Å; L369-Q373 PolarHBondContact O-N 3.44Å; T370-Q373 PolarHBondContact O-N 2.8Å; Q373-I375 PolarHBondContact O-N 2.88Å; Q373-I375 VanDerWaalsContact O-N 3.08Å; Q373-H376 PolarHBondContact O-N 3.13Å; Q373-T377 PolarHBondContact O-N 3.21Å; Q373-T377 VanDerWaalsContact O-N 3.09Å
374K91Very high88.6Confident43 Ų4371 Ų7119%0.18737%0.368CS..Hα-helixtrans-58.9-19.5173-64.9-175.8176.6-177.70114.5H372 T377 G378 D379H372-K374 PolarHBondContact O-N 3.14Å; H372-K374 VanDerWaalsContact O-N 3.12Å; K374-T377 WeakPolarHBondContact CA-OG1 3.46Å; K374-G378 PolarHBondContact O-N 3.42Å; K374-D379 HydrophobicContact CG-CB 4.39Å; K374-D379 PolarHBondContact O-N 3.16Å
375I88.2Confident89Confident114 Ų11472.8 Ų72.859%0.58539%0.39SS*.Hα-helixtrans-70.5-39.5175.7-61.2172.8000109.8H372 Q373H372-I375 WeakPolarHBondContact O-CB 3.18Å; H372-I375 VanDerWaalsContact O-CG1 3.29Å; H372-I375 WeakPolarHBondContact O-CG1 3.28Å; H372-I375 PolarHBondContact O-N 2.87Å; Q373-I375 PolarHBondContact O-N 2.88Å; Q373-I375 VanDerWaalsContact O-N 3.08Å
376H88Confident89.4Confident74 Ų7477.1 Ų77.134%0.34341%0.41SS..Hα-helixtrans-82.3-40.8-177.6-54.2-53.2000112.1C356 E358 C359 H372 Q373 G378C356-H376 PolarHBondContact SG-NE2 2.92Å; C356-H376 VanDerWaalsContact SG-NE2 3.4Å; E358-H376 WeakPolarHBondContact OE2-CB 3.49Å; E358-H376 IonicContact OE2-CD2 3.66Å; E358-H376 PolarHBondContact OE2-CD2 3.38Å; E358-H376 IonicContact OE2-CG 3.96Å; E358-H376 IonicContact OE2-NE2 3.49Å; C359-H376 PolarHBondContact SG-NE2 2.8Å; C359-H376 VanDerWaalsContact SG-NE2 3.41Å; H372-H376 AromaticContact CD2-NE2 3.94Å; H372-H376 AromaticContact CE1-NE2 3.71Å; H372-H376 AromaticContact NE2-CD2 3.98Å; H372-H376 AromaticContact NE2-CE1 3.94Å; H372-H376 AromaticContact NE2-NE2 3.13Å; H372-H376 PolarHBondContact NE2-NE2 3.45Å; H372-H376 VanDerWaalsContact NE2-NE2 3.13Å; Q373-H376 PolarHBondContact O-N 3.13Å; H376-G378 PolarHBondContact O-N 2.98Å
377T87.9Confident89.8Confident94 Ų9471.3 Ų71.358%0.57740%0.395SS*.SBendtrans-71.2-12.5175.764.30000113Q373 K374 D379Q373-T377 PolarHBondContact O-N 3.21Å; Q373-T377 VanDerWaalsContact O-N 3.09Å; K374-T377 WeakPolarHBondContact CA-OG1 3.46Å; T377-D379 PolarHBondContact O-N 3.4Å; T377-D379 VanDerWaalsContact O-N 3.14Å; T377-D379 WeakPolarHBondContact OG1-CB 3.34Å; T377-D379 PolarHBondContact OG1-N 2.99Å
378G86.1Confident89.9Confident43 Ų4368.9 Ų68.944%0.44339%0.385SS..  trans66.48.4-173.800000114K374 H376 K380K374-G378 PolarHBondContact O-N 3.42Å; H376-G378 PolarHBondContact O-N 2.98Å; G378-K380 WeakPolarHBondContact O-CG 3.38Å; G378-K380 PolarHBondContact O-N 3.25Å; G378-K380 VanDerWaalsContact O-N 3.12Å
379D88.3Confident90.1Very high73 Ų7372.2 Ų72.239%0.3939%0.392SS..  trans-61.6113.1-176.7178.930.9000111K374 T377 P381K374-D379 HydrophobicContact CG-CB 4.39Å; K374-D379 PolarHBondContact O-N 3.16Å; T377-D379 PolarHBondContact O-N 3.4Å; T377-D379 VanDerWaalsContact O-N 3.14Å; T377-D379 WeakPolarHBondContact OG1-CB 3.34Å; T377-D379 PolarHBondContact OG1-N 2.99Å; D379-P381 WeakPolarHBondContact OD1-CD 3.43Å; D379-P381 WeakPolarHBondContact OD1-CG 3.45Å
380K89.9Confident90.2Very high121 Ų12173.1 Ų73.153%0.52640%0.402SS..  trans-126.174.8-179.1-70.7166.6178.81780110.1G378 Y382 A390 F391G378-K380 WeakPolarHBondContact O-CG 3.38Å; G378-K380 PolarHBondContact O-N 3.25Å; G378-K380 VanDerWaalsContact O-N 3.12Å; K380-Y382 PolarHBondContact O-N 3.38Å; K380-A390 HydrophobicContact CB-CB 3.63Å; K380-A390 HydrophobicContact CD-CB 4.2Å; K380-A390 WeakPolarHBondContact CD-O 3.34Å; K380-F391 CarbonylContact C-O 3.57Å; K380-F391 WeakPolarHBondContact CA-O 3.2Å
381P90.8Very high90.2Very high70 Ų7072.1 Ų72.146%0.45539%0.392SS..  trans-67.2-11.4-174.5-1930.8000114.8D379D379-P381 WeakPolarHBondContact OD1-CD 3.43Å; D379-P381 WeakPolarHBondContact OD1-CG 3.45Å
382Y92.6Very high90.2Very high83 Ų8370.4 Ų70.433%0.32539%0.386SS..EExtended strand (participates in β ladder)trans-110.796.1-170.4-55.1-73000110.4K380 A390 F391 Q393 R394K380-Y382 PolarHBondContact O-N 3.38Å; Y382-A390 CarbonylContact O-C 3.26Å; Y382-A390 WeakPolarHBondContact O-CA 3.26Å; Y382-F391 WeakPolarHBondContact CB-O 3.44Å; Y382-F391 WeakPolarHBondContact CD2-O 3.46Å; Y382-F391 PolarHBondContact N-O 3.41Å; Y382-F391 PolarHBondContact O-N 3.01Å; Y382-Q393 VanDerWaalsContact CD2-C 3.43Å; Y382-R394 HydrophobicContact CD1-CB 3.97Å; Y382-R394 HydrophobicContact CD1-CG 4.34Å; Y382-R394 HydrophobicContact CD2-CB 4.48Å; Y382-R394 VanDerWaalsContact CD2-N 3.33Å; Y382-R394 HydrophobicContact CE1-CB 3.81Å; Y382-R394 HydrophobicContact CE1-CG 4.35Å; Y382-R394 HydrophobicContact CE2-CB 4.32Å; Y382-R394 HydrophobicContact CG-CB 4.3Å
383E92.8Very high90.2Very high130 Ų13071.9 Ų71.961%0.60739%0.393SS*.EExtended strand (participates in β ladder)trans-94141.1180-166175.6164.400112.5L397E383-L397 WeakPolarHBondContact O-CD2 3.43Å
384C93.7Very high90.2Very high1 Ų176.6 Ų76.61%0.00741%0.408CS..  trans-81.5118.8170.8-171.90000110E386 G388 K389 L397C384-E386 PolarHBondContact O-N 3.34Å; C384-G388 VanDerWaalsContact O-CA 3.28Å; C384-G388 WeakPolarHBondContact O-CA 3.4Å; C384-G388 PolarHBondContact O-N 2.9Å; C384-K389 WeakPolarHBondContact CB-O 3.42Å; C384-K389 PolarHBondContact N-O 3.21Å; C384-L397 HydrophobicContact CB-CD1 3.67Å
385S91.5Very high90Very high112 Ų11278.5 Ų78.578%0.78343%0.426SS*.THydrogen-bonded Turntrans-62.7-24.3179.150.50000114
386E90.1Very high90Very high120 Ų12078.3 Ų78.356%0.56142%0.418SS*.THydrogen-bonded Turntrans-88.5-29.3-175.3-64.4-176.6-15700113.9C384 H404C384-E386 PolarHBondContact O-N 3.34Å; E386-H404 WeakPolarHBondContact OE2-CB 3.39Å; E386-H404 IonicContact OE2-CD2 3.62Å; E386-H404 IonicContact OE2-CG 3.04Å; E386-H404 IonicContact OE2-ND1 3.46Å; E386-H404 PolarHBondContact OE2-ND1 2.95Å
387C92.2Very high90.2Very high53 Ų5375.6 Ų75.636%0.35841%0.406SS..THydrogen-bonded Turntrans-135.17.4-176.869.20000115K389 H400 H404C387-K389 PolarHBondContact O-N 3.14Å; C387-H400 PolarHBondContact SG-NE2 3.13Å; C387-H404 PolarHBondContact SG-NE2 3.42Å
388G89.4Confident90.3Very high40 Ų4074 Ų7441%0.41240%0.396SS..  trans67.23.3178.800000115C384 A390C384-G388 VanDerWaalsContact O-CA 3.28Å; C384-G388 WeakPolarHBondContact O-CA 3.4Å; C384-G388 PolarHBondContact O-N 2.9Å; G388-A390 PolarHBondContact O-N 3.15Å
389K91.1Very high90.4Very high124 Ų12477.4 Ų77.454%0.53940%0.395SS..  trans-70.2121.5-179.5-74.2-179.8-179.31720110.5C384 C387 F391C384-K389 WeakPolarHBondContact CB-O 3.42Å; C384-K389 PolarHBondContact N-O 3.21Å; C387-K389 PolarHBondContact O-N 3.14Å; K389-F391 HydrophobicContact CB-CE2 3.92Å; K389-F391 HydrophobicContact CB-CZ 4.12Å; K389-F391 WeakPolarHBondContact O-CD2 3.37Å; K389-F391 VanDerWaalsContact O-CE2 3.26Å; K389-F391 WeakPolarHBondContact O-CE2 3.49Å
390A92.6Very high90.5Very high36 Ų3675.1 Ų75.130%0.29838%0.382SS..EExtended strand (participates in β ladder)trans-96.7142.6178.800000113.1K380 Y382 G388K380-A390 HydrophobicContact CB-CB 3.63Å; K380-A390 HydrophobicContact CD-CB 4.2Å; K380-A390 WeakPolarHBondContact CD-O 3.34Å; Y382-A390 CarbonylContact O-C 3.26Å; Y382-A390 WeakPolarHBondContact O-CA 3.26Å; G388-A390 PolarHBondContact O-N 3.15Å
391F90.3Very high90.5Very high42 Ų4272.6 Ų72.618%0.18437%0.372CS..EExtended strand (participates in β ladder)trans-128.3148.1-177.7-59.7-90000111.1K380 Y382 K389 Q393 R396 L397 H400K380-F391 CarbonylContact C-O 3.57Å; K380-F391 WeakPolarHBondContact CA-O 3.2Å; Y382-F391 WeakPolarHBondContact CB-O 3.44Å; Y382-F391 WeakPolarHBondContact CD2-O 3.46Å; Y382-F391 PolarHBondContact N-O 3.41Å; Y382-F391 PolarHBondContact O-N 3.01Å; K389-F391 HydrophobicContact CB-CE2 3.92Å; K389-F391 HydrophobicContact CB-CZ 4.12Å; K389-F391 WeakPolarHBondContact O-CD2 3.37Å; K389-F391 VanDerWaalsContact O-CE2 3.26Å; K389-F391 WeakPolarHBondContact O-CE2 3.49Å; F391-Q393 VanDerWaalsContact C-N 3.28Å; F391-Q393 PolarHBondContact O-N 3.16Å; F391-R396 HydrophobicContact CB-CB 4.19Å; F391-R396 HydrophobicContact CD1-CB 3.86Å; F391-R396 HydrophobicContact CG-CB 4.24Å; F391-L397 HydrophobicContact CB-CB 4.41Å; F391-L397 HydrophobicContact CD2-CB 3.94Å; F391-L397 HydrophobicContact CD2-CD1 3.87Å; F391-L397 HydrophobicContact CE2-CD1 4.05Å; F391-L397 HydrophobicContact CG-CB 4.38Å; F391-H400 HydrophobicContact CE1-CB 4.09Å; F391-H400 HydrophobicContact CE2-CB 3.82Å; F391-H400 AromaticContact CE2-CD2 3.34Å; F391-H400 WeakPolarHBondContact CE2-CD2 3.07Å; F391-H400 AromaticContact CE2-CG 3.61Å; F391-H400 HydrophobicContact CZ-CB 3.44Å; F391-H400 VanDerWaalsContact CZ-CB 3.44Å; F391-H400 AromaticContact CZ-CD2 3.46Å; F391-H400 VanDerWaalsContact CZ-CD2 3.46Å; F391-H400 WeakPolarHBondContact CZ-CD2 3.38Å; F391-H400 AromaticContact CZ-CG 3.26Å; F391-H400 AromaticContact CZ-ND1 3.84Å
392S89Confident90.5Very high16 Ų1672 Ų7211%0.11236%0.361CS..SBendtrans-79.3-8.9176.859.30000114.1
393Q89.1Confident90.3Very high51 Ų5173 Ų7324%0.23838%0.376CS..SBendtrans-140.6134.6-177.8-63.4177.47.800111.2Q371 Y382 F391 C395 R396 L397Q371-Q393 HydrophobicContact CG-CG 4.49Å; Q371-Q393 VanDerWaalsContact NE2-CG 3.31Å; Q371-Q393 VanDerWaalsContact NE2-NE2 3.2Å; Y382-Q393 VanDerWaalsContact CD2-C 3.43Å; F391-Q393 VanDerWaalsContact C-N 3.28Å; F391-Q393 PolarHBondContact O-N 3.16Å; Q393-C395 VanDerWaalsContact C-N 3.32Å; Q393-C395 PolarHBondContact O-N 3.38Å; Q393-R396 HydrophobicContact CB-CB 4.45Å; Q393-R396 HydrophobicContact CB-CG 4.06Å; Q393-R396 WeakPolarHBondContact O-CB 3.49Å; Q393-R396 PolarHBondContact O-N 3.15Å; Q393-L397 PolarHBondContact O-N 3.1Å
394R89.6Confident90.1Very high168 Ų16870.4 Ų70.463%0.63436%0.363SS*.Hα-helixtrans-57.7-40.3178.4-171.4174.9-179.8166.61.6113.3Y382 R396 L397 T398Y382-R394 HydrophobicContact CD1-CB 3.97Å; Y382-R394 HydrophobicContact CD1-CG 4.34Å; Y382-R394 HydrophobicContact CD2-CB 4.48Å; Y382-R394 VanDerWaalsContact CD2-N 3.33Å; Y382-R394 HydrophobicContact CE1-CB 3.81Å; Y382-R394 HydrophobicContact CE1-CG 4.35Å; Y382-R394 HydrophobicContact CE2-CB 4.32Å; Y382-R394 HydrophobicContact CG-CB 4.3Å; R394-R396 PolarHBondContact O-N 3.32Å; R394-L397 WeakPolarHBondContact O-CB 3.43Å; R394-L397 PolarHBondContact O-N 3.33Å; R394-L397 VanDerWaalsContact O-N 3.15Å; R394-T398 PolarHBondContact O-N 2.96Å; R394-T398 PolarHBondContact O-OG1 2.96Å
395C87Confident89.8Confident83 Ų8374.2 Ų74.256%0.56139%0.386SS*.Hα-helixtrans-63.1-29.5178.862.30000112.9Q393 R399Q393-C395 VanDerWaalsContact C-N 3.32Å; Q393-C395 PolarHBondContact O-N 3.38Å; C395-R399 WeakPolarHBondContact O-CB 3.43Å; C395-R399 PolarHBondContact O-N 3.21Å
396R89Confident89.5Confident111 Ų11171.1 Ų71.142%0.41937%0.373SS..Hα-helixtrans-72.9-41.1175.1-65.4-176.9-178.9-164.6-2.4110.7F391 Q393 R394 R399 H400F391-R396 HydrophobicContact CB-CB 4.19Å; F391-R396 HydrophobicContact CD1-CB 3.86Å; F391-R396 HydrophobicContact CG-CB 4.24Å; Q393-R396 HydrophobicContact CB-CB 4.45Å; Q393-R396 HydrophobicContact CB-CG 4.06Å; Q393-R396 WeakPolarHBondContact O-CB 3.49Å; Q393-R396 PolarHBondContact O-N 3.15Å; R394-R396 PolarHBondContact O-N 3.32Å; R396-R399 PolarHBondContact O-N 3.39Å; R396-H400 VanDerWaalsContact O-CB 3.3Å; R396-H400 WeakPolarHBondContact O-CB 3.49Å; R396-H400 PolarHBondContact O-N 3.11Å
397L91.8Very high89.4Confident17 Ų1770.7 Ų70.79%0.08937%0.37CS..Hα-helixtrans-59.9-51.8171.717462.2000111.1E383 C384 F391 Q393 R394 R399 H400 Q401E383-L397 WeakPolarHBondContact O-CD2 3.43Å; C384-L397 HydrophobicContact CB-CD1 3.67Å; F391-L397 HydrophobicContact CB-CB 4.41Å; F391-L397 HydrophobicContact CD2-CB 3.94Å; F391-L397 HydrophobicContact CD2-CD1 3.87Å; F391-L397 HydrophobicContact CE2-CD1 4.05Å; F391-L397 HydrophobicContact CG-CB 4.38Å; Q393-L397 PolarHBondContact O-N 3.1Å; R394-L397 WeakPolarHBondContact O-CB 3.43Å; R394-L397 PolarHBondContact O-N 3.33Å; R394-L397 VanDerWaalsContact O-N 3.15Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 2.97Å; L397-H400 CarbonylContact O-C 3.53Å; L397-H400 WeakPolarHBondContact O-CA 3.35Å; L397-H400 WeakPolarHBondContact O-CB 3.4Å; L397-H400 PolarHBondContact O-N 3.43Å; L397-Q401 HydrophobicContact CD1-CG 4.17Å; L397-Q401 HydrophobicContact CG-CG 4.46Å; L397-Q401 WeakPolarHBondContact O-CG 3.35Å; L397-Q401 PolarHBondContact O-N 2.88Å
398T89.3Confident89.1Confident61 Ų6174 Ų7437%0.37438%0.379SS..Hα-helixtrans-58-40.5178.4-56.20000112.4R394 H400R394-T398 PolarHBondContact O-N 2.96Å; R394-T398 PolarHBondContact O-OG1 2.96Å; T398-H400 VanDerWaalsContact C-N 3.34Å
399R88.8Confident89Confident114 Ų11475.6 Ų75.643%0.4338%0.382SS..Hα-helixtrans-66.4-37.3174.1-178.3177.562.6-171.90.9112C395 R396 L397 R402C395-R399 WeakPolarHBondContact O-CB 3.43Å; C395-R399 PolarHBondContact O-N 3.21Å; R396-R399 PolarHBondContact O-N 3.39Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 2.97Å; R399-R402 WeakPolarHBondContact O-CB 3.4Å; R399-R402 PolarHBondContact O-N 2.89Å
400H90.3Very high88.9Confident25 Ų2572.9 Ų72.912%0.11637%0.37CS..Hα-helixtrans-68.6-38.3177.9169.864.2000112.3C387 F391 R396 L397 T398 R402 V403 H404C387-H400 PolarHBondContact SG-NE2 3.13Å; F391-H400 HydrophobicContact CE1-CB 4.09Å; F391-H400 HydrophobicContact CE2-CB 3.82Å; F391-H400 AromaticContact CE2-CD2 3.34Å; F391-H400 WeakPolarHBondContact CE2-CD2 3.07Å; F391-H400 AromaticContact CE2-CG 3.61Å; F391-H400 HydrophobicContact CZ-CB 3.44Å; F391-H400 VanDerWaalsContact CZ-CB 3.44Å; F391-H400 AromaticContact CZ-CD2 3.46Å; F391-H400 VanDerWaalsContact CZ-CD2 3.46Å; F391-H400 WeakPolarHBondContact CZ-CD2 3.38Å; F391-H400 AromaticContact CZ-CG 3.26Å; F391-H400 AromaticContact CZ-ND1 3.84Å; R396-H400 VanDerWaalsContact O-CB 3.3Å; R396-H400 WeakPolarHBondContact O-CB 3.49Å; R396-H400 PolarHBondContact O-N 3.11Å; L397-H400 CarbonylContact O-C 3.53Å; L397-H400 WeakPolarHBondContact O-CA 3.35Å; L397-H400 WeakPolarHBondContact O-CB 3.4Å; L397-H400 PolarHBondContact O-N 3.43Å; T398-H400 VanDerWaalsContact C-N 3.34Å; H400-R402 PolarHBondContact O-N 2.87Å; H400-R402 VanDerWaalsContact O-N 3.12Å; H400-V403 WeakPolarHBondContact O-CB 3.38Å; H400-V403 WeakPolarHBondContact O-CG2 3.48Å; H400-V403 PolarHBondContact O-N 3.04Å; H400-H404 AromaticContact CE1-NE2 3.71Å; H400-H404 AromaticContact NE2-NE2 3.37Å; H400-H404 PolarHBondContact NE2-NE2 3.14Å
401Q89.6Confident88.7Confident68 Ų6877 Ų7732%0.31838%0.384SS..Hα-helixtrans-55.7-30.6176.1-74173-4500112.6L397 V403 H404 T405L397-Q401 HydrophobicContact CD1-CG 4.17Å; L397-Q401 HydrophobicContact CG-CG 4.46Å; L397-Q401 WeakPolarHBondContact O-CG 3.35Å; L397-Q401 PolarHBondContact O-N 2.88Å; Q401-V403 PolarHBondContact O-N 3.27Å; Q401-H404 WeakPolarHBondContact O-CB 3.31Å; Q401-H404 PolarHBondContact O-N 3.37Å; Q401-T405 PolarHBondContact O-N 3.48Å
402R90.1Very high88.7Confident58 Ų5875 Ų7522%0.21938%0.375CS..Hα-helixtrans-63.7-19.3173.8-61.7-177.4-176.1151.70.5114.8R399 H400 H404 T405 G406 E407 S420R399-R402 WeakPolarHBondContact O-CB 3.4Å; R399-R402 PolarHBondContact O-N 2.89Å; H400-R402 PolarHBondContact O-N 2.87Å; H400-R402 VanDerWaalsContact O-N 3.12Å; R402-H404 VanDerWaalsContact C-N 3.26Å; R402-T405 WeakPolarHBondContact CA-OG1 3.42Å; R402-G406 WeakPolarHBondContact O-CA 3.43Å; R402-G406 PolarHBondContact O-N 3.36Å; R402-E407 HydrophobicContact CB-CB 4.38Å; R402-E407 HydrophobicContact CG-CB 4.22Å; R402-E407 PolarHBondContact O-N 3.27Å; R402-S420 PolarHBondContact NH1-O 3.31Å
403V88.1Confident88.6Confident104 Ų10480.3 Ų80.363%0.6341%0.407SS*.Hα-helixtrans-68.2-34.1173.6-179.90000110.1H400 Q401H400-V403 WeakPolarHBondContact O-CB 3.38Å; H400-V403 WeakPolarHBondContact O-CG2 3.48Å; H400-V403 PolarHBondContact O-N 3.04Å; Q401-V403 PolarHBondContact O-N 3.27Å
404H88.9Confident88.3Confident74 Ų7482.3 Ų82.334%0.34342%0.422SS..Hα-helixtrans-80.6-45.2178.8-61.6-69.7000112.3E386 C387 H400 Q401 R402 G406E386-H404 WeakPolarHBondContact OE2-CB 3.39Å; E386-H404 IonicContact OE2-CD2 3.62Å; E386-H404 IonicContact OE2-CG 3.04Å; E386-H404 IonicContact OE2-ND1 3.46Å; E386-H404 PolarHBondContact OE2-ND1 2.95Å; C387-H404 PolarHBondContact SG-NE2 3.42Å; H400-H404 AromaticContact CE1-NE2 3.71Å; H400-H404 AromaticContact NE2-NE2 3.37Å; H400-H404 PolarHBondContact NE2-NE2 3.14Å; Q401-H404 WeakPolarHBondContact O-CB 3.31Å; Q401-H404 PolarHBondContact O-N 3.37Å; R402-H404 VanDerWaalsContact C-N 3.26Å; H404-G406 PolarHBondContact O-N 3.42Å
405T87.4Confident88.2Confident81 Ų8176.2 Ų76.250%0.49741%0.405SS..Hα-helixtrans-76.1-13.8179.563.50000113.3Q401 R402 E407Q401-T405 PolarHBondContact O-N 3.48Å; R402-T405 WeakPolarHBondContact CA-OG1 3.42Å; T405-E407 PolarHBondContact O-N 2.82Å; T405-E407 WeakPolarHBondContact OG1-CG 3.42Å; T405-E407 PolarHBondContact OG1-N 3.08Å
406G85.1Confident88.1Confident48 Ų4874 Ų7450%0.49540%0.396SS..  trans70.24.9-174.900000114.3R402 H404 K408R402-G406 WeakPolarHBondContact O-CA 3.43Å; R402-G406 PolarHBondContact O-N 3.36Å; H404-G406 PolarHBondContact O-N 3.42Å; G406-K408 PolarHBondContact O-N 3.22Å
407E88.3Confident88Confident110 Ų11074.8 Ų74.851%0.51440%0.403SS..  trans-59.7125.4-178.7-77.3-178.7-175.700112R402 T405 P409R402-E407 HydrophobicContact CB-CB 4.38Å; R402-E407 HydrophobicContact CG-CB 4.22Å; R402-E407 PolarHBondContact O-N 3.27Å; T405-E407 PolarHBondContact O-N 2.82Å; T405-E407 WeakPolarHBondContact OG1-CG 3.42Å; T405-E407 PolarHBondContact OG1-N 3.08Å; E407-P409 WeakPolarHBondContact O-CD 3.41Å
408K87.1Confident87.9Confident122 Ų12277.4 Ų77.453%0.5342%0.419SS..  trans-124.675.5176-67.8176.4-172.91740110.9G406 F410 V418 F419G406-K408 PolarHBondContact O-N 3.22Å; K408-F410 PolarHBondContact O-N 3.36Å; K408-F410 VanDerWaalsContact O-N 3.12Å; K408-V418 HydrophobicContact CB-CB 3.89Å; K408-V418 HydrophobicContact CB-CG2 3.94Å; K408-V418 HydrophobicContact CD-CG2 3.82Å; K408-F419 CarbonylContact C-O 3.32Å; K408-F419 VanDerWaalsContact C-O 3.32Å; K408-F419 WeakPolarHBondContact CA-O 3.41Å
409P87.5Confident87.7Confident75 Ų7576.6 Ų76.649%0.48741%0.411SS..  trans-72.9-6-170.8-17.232.4000114.6E407E407-P409 WeakPolarHBondContact O-CD 3.41Å
410F88.1Confident87.5Confident66 Ų6673 Ų7329%0.28940%0.403SS..EExtended strand (participates in β ladder)trans-114.3112.6-173.5-53.1-76.4000110.9K408 V418 F419 K422 V425K408-F410 PolarHBondContact O-N 3.36Å; K408-F410 VanDerWaalsContact O-N 3.12Å; F410-V418 CarbonylContact O-C 3.52Å; F410-V418 WeakPolarHBondContact O-CA 3.31Å; F410-F419 PolarHBondContact N-O 3.01Å; F410-F419 PolarHBondContact O-N 3.41Å; F410-K422 HydrophobicContact CD1-CB 4.23Å; F410-K422 HydrophobicContact CE1-CB 4.18Å; F410-K422 HydrophobicContact CG-CB 4.48Å; F410-K422 HydrophobicContact CZ-CB 4.37Å; F410-V425 HydrophobicContact CB-CG2 3.57Å
411E89.1Confident87.2Confident123 Ų12372.4 Ų72.458%0.57540%0.402SS*.EExtended strand (participates in β ladder)trans-94.9141.4176.2-168.8179.7162.400111.3T413 G416 V418E411-T413 PolarHBondContact O-N 2.87Å; E411-G416 WeakPolarHBondContact OE1-CA 3.45Å; E411-V418 HydrophobicContact CB-CG1 4.16Å; E411-V418 HydrophobicContact CG-CG1 4.08Å
412C89.3Confident87Confident0 Ų075.9 Ų75.90%042%0.416CS..  trans-77.8114.7166.6-1780000109.4V414 C415 G416 K417 F419 V425C412-V414 PolarHBondContact O-N 3.28Å; C412-C415 PolarHBondContact O-N 3.04Å; C412-G416 WeakPolarHBondContact O-CA 3.05Å; C412-G416 PolarHBondContact O-N 3.27Å; C412-K417 WeakPolarHBondContact CB-O 3.13Å; C412-K417 PolarHBondContact N-O 3.39Å; C412-F419 HydrophobicContact CB-CE2 4.15Å; C412-V425 HydrophobicContact CB-CG1 4.3Å
413T86.4Confident86.8Confident128 Ų12876.8 Ų76.879%0.78543%0.431SS*.THydrogen-bonded Turntrans-62.3-15179.156.60000114.6E411E411-T413 PolarHBondContact O-N 2.87Å
414V84Confident86.8Confident93 Ų9373.9 Ų73.956%0.56442%0.415SS*.THydrogen-bonded Turntrans-91.9-36.4-177.5-1770000112C412 Y432C412-V414 PolarHBondContact O-N 3.28Å; V414-Y432 HydrophobicContact CG1-CD1 3.85Å; V414-Y432 HydrophobicContact CG1-CE1 3.67Å
415C88.2Confident86.7Confident40 Ų4070.9 Ų70.927%0.2740%0.402SS..THydrogen-bonded Turntrans-132.15.6-171.270.90000114.2C412 K417 H428 Y432C412-C415 PolarHBondContact O-N 3.04Å; C415-K417 PolarHBondContact O-N 3.16Å; C415-H428 PolarHBondContact SG-NE2 3.27Å; C415-Y432 HydrophobicContact CB-CE2 4.25Å
416G84.6Confident86.7Confident37 Ų3770.2 Ų70.238%0.38140%0.395SS..  trans68.6-1.3179.200000115.5E411 C412 V418E411-G416 WeakPolarHBondContact OE1-CA 3.45Å; C412-G416 WeakPolarHBondContact O-CA 3.05Å; C412-G416 PolarHBondContact O-N 3.27Å; G416-V418 PolarHBondContact O-N 3.21Å
417K87Confident86.7Confident127 Ų12773 Ų7355%0.55240%0.395SS*.  trans-67.7130.6-179.6-72-177179.81780110.9C412 C415 F419C412-K417 WeakPolarHBondContact CB-O 3.13Å; C412-K417 PolarHBondContact N-O 3.39Å; C415-K417 PolarHBondContact O-N 3.16Å; K417-F419 HydrophobicContact CB-CE2 3.69Å; K417-F419 HydrophobicContact CB-CZ 4.01Å; K417-F419 VanDerWaalsContact O-CD2 3.22Å; K417-F419 WeakPolarHBondContact O-CD2 3.47Å; K417-F419 WeakPolarHBondContact O-CE2 3.42Å
418V88.8Confident86.7Confident72 Ų7269.3 Ų69.344%0.43638%0.378SS..EExtended strand (participates in β ladder)trans-96.5142.8180-64.70000112.5K408 F410 E411 G416K408-V418 HydrophobicContact CB-CB 3.89Å; K408-V418 HydrophobicContact CB-CG2 3.94Å; K408-V418 HydrophobicContact CD-CG2 3.82Å; F410-V418 CarbonylContact O-C 3.52Å; F410-V418 WeakPolarHBondContact O-CA 3.31Å; E411-V418 HydrophobicContact CB-CG1 4.16Å; E411-V418 HydrophobicContact CG-CG1 4.08Å; G416-V418 PolarHBondContact O-N 3.21Å
419F86.2Confident86.6Confident43 Ų4366.4 Ų66.419%0.18937%0.366CS..EExtended strand (participates in β ladder)trans-135.9152.3-174.6-61.1-94.8000111.4K408 F410 C412 K417 S421 V425 H428K408-F419 CarbonylContact C-O 3.32Å; K408-F419 VanDerWaalsContact C-O 3.32Å; K408-F419 WeakPolarHBondContact CA-O 3.41Å; F410-F419 PolarHBondContact N-O 3.01Å; F410-F419 PolarHBondContact O-N 3.41Å; C412-F419 HydrophobicContact CB-CE2 4.15Å; K417-F419 HydrophobicContact CB-CE2 3.69Å; K417-F419 HydrophobicContact CB-CZ 4.01Å; K417-F419 VanDerWaalsContact O-CD2 3.22Å; K417-F419 WeakPolarHBondContact O-CD2 3.47Å; K417-F419 WeakPolarHBondContact O-CE2 3.42Å; F419-S421 VanDerWaalsContact C-N 3.32Å; F419-V425 HydrophobicContact CB-CG2 3.75Å; F419-V425 HydrophobicContact CD2-CB 4.42Å; F419-V425 HydrophobicContact CD2-CG2 3.63Å; F419-V425 HydrophobicContact CG-CG2 3.92Å; F419-H428 HydrophobicContact CE1-CB 3.98Å; F419-H428 HydrophobicContact CE2-CB 4.16Å; F419-H428 AromaticContact CE2-CD2 3.85Å; F419-H428 AromaticContact CE2-CG 3.95Å; F419-H428 HydrophobicContact CZ-CB 3.52Å; F419-H428 AromaticContact CZ-CD2 3.69Å; F419-H428 AromaticContact CZ-CG 3.35Å; F419-H428 AromaticContact CZ-ND1 3.83Å
420S83.6Confident86.5Confident40 Ų4071.2 Ų71.228%0.2837%0.374SS..SBendtrans-79.4-12.8177.858.60000113.7R402R402-S420 PolarHBondContact NH1-O 3.31Å
421S84.8Confident86.4Confident12 Ų1275.2 Ų75.28%0.08439%0.387CS..  trans-143.1142.7179.996.80000113.7F419 S423 S424 V425F419-S421 VanDerWaalsContact C-N 3.32Å; S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.1Å; S421-S424 WeakPolarHBondContact O-CB 3.44Å; S421-S424 PolarHBondContact O-N 3.05Å; S421-S424 VanDerWaalsContact O-N 3.12Å; S421-S424 PolarHBondContact OG-N 3.27Å; S421-S424 PolarHBondContact OG-OG 3.07Å; S421-V425 PolarHBondContact O-N 3.34Å
422K85.1Confident85.8Confident141 Ų14174.6 Ų74.661%0.61338%0.381SS*.Hα-helixtrans-60.7-34.5176.6-169.1172.8-175.5170.80112.9F410 S424 V425 I426F410-K422 HydrophobicContact CD1-CB 4.23Å; F410-K422 HydrophobicContact CE1-CB 4.18Å; F410-K422 HydrophobicContact CG-CB 4.48Å; F410-K422 HydrophobicContact CZ-CB 4.37Å; K422-S424 VanDerWaalsContact C-N 3.29Å; K422-S424 PolarHBondContact O-N 3.45Å; K422-V425 PolarHBondContact O-N 2.9Å; K422-I426 HydrophobicContact CG-CD1 4.27Å; K422-I426 WeakPolarHBondContact O-CG1 3.24Å; K422-I426 PolarHBondContact O-N 3.47Å
423S86.3Confident85.2Confident77 Ų7777.9 Ų77.954%0.53841%0.408SS..Hα-helixtrans-61.9-38.8175.8-50.70000111.8S421 I426 Q427S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.1Å; S423-I426 PolarHBondContact O-N 2.64Å; S423-Q427 WeakPolarHBondContact O-CB 3.45Å; S423-Q427 PolarHBondContact O-N 3.33Å
424S86.8Confident84.6Confident43 Ų4380.1 Ų80.130%0.30141%0.406SS..Hα-helixtrans-65.4-39.8175.7-53.40000111.5S421 K422 Q427 H428S421-S424 WeakPolarHBondContact O-CB 3.44Å; S421-S424 PolarHBondContact O-N 3.05Å; S421-S424 VanDerWaalsContact O-N 3.12Å; S421-S424 PolarHBondContact OG-N 3.27Å; S421-S424 PolarHBondContact OG-OG 3.07Å; K422-S424 VanDerWaalsContact C-N 3.29Å; K422-S424 PolarHBondContact O-N 3.45Å; S424-Q427 PolarHBondContact O-N 2.91Å; S424-H428 VanDerWaalsContact O-CB 3.23Å; S424-H428 WeakPolarHBondContact O-CB 3.41Å; S424-H428 PolarHBondContact O-N 2.98Å
425V87.5Confident83.9Confident11 Ų1183.2 Ų83.27%0.06742%0.415CS..Hα-helixtrans-61.5-48.9173.6-176.20000111F410 C412 F419 S421 K422 Q427 H428 Q429F410-V425 HydrophobicContact CB-CG2 3.57Å; C412-V425 HydrophobicContact CB-CG1 4.3Å; F419-V425 HydrophobicContact CB-CG2 3.75Å; F419-V425 HydrophobicContact CD2-CB 4.42Å; F419-V425 HydrophobicContact CD2-CG2 3.63Å; F419-V425 HydrophobicContact CG-CG2 3.92Å; S421-V425 PolarHBondContact O-N 3.34Å; K422-V425 PolarHBondContact O-N 2.9Å; V425-Q427 VanDerWaalsContact C-N 3.33Å; V425-Q427 PolarHBondContact O-N 3.33Å; V425-H428 WeakPolarHBondContact O-CB 3.31Å; V425-H428 PolarHBondContact O-N 2.83Å; V425-Q429 HydrophobicContact CG1-CG 4.22Å; V425-Q429 WeakPolarHBondContact O-CB 3.24Å; V425-Q429 WeakPolarHBondContact O-CG 3.08Å; V425-Q429 PolarHBondContact O-N 3.12Å
426I86.9Confident82.4Confident66 Ų6684.4 Ų84.434%0.33843%0.434SS..Hα-helixtrans-61.4-43.2179.9-66.5166.4000110.7K422 S423 H428 Q429 R430K422-I426 HydrophobicContact CG-CD1 4.27Å; K422-I426 WeakPolarHBondContact O-CG1 3.24Å; K422-I426 PolarHBondContact O-N 3.47Å; S423-I426 PolarHBondContact O-N 2.64Å; I426-H428 VanDerWaalsContact C-N 3.34Å; I426-Q429 PolarHBondContact O-N 2.64Å; I426-R430 WeakPolarHBondContact O-CB 3.41Å; I426-R430 VanDerWaalsContact O-CG 3.24Å; I426-R430 WeakPolarHBondContact O-CG 3.3Å; I426-R430 PolarHBondContact O-N 2.89Å
427Q86.3Confident80.7Confident106 Ų10689.7 Ų89.750%0.49545%0.452SS..Hα-helixtrans-65.5-40.1177.4-170.4178.530.400111.6S423 S424 V425 R430 R431S423-Q427 WeakPolarHBondContact O-CB 3.45Å; S423-Q427 PolarHBondContact O-N 3.33Å; S424-Q427 PolarHBondContact O-N 2.91Å; V425-Q427 VanDerWaalsContact C-N 3.33Å; V425-Q427 PolarHBondContact O-N 3.33Å; Q427-R430 PolarHBondContact O-N 2.85Å; Q427-R431 WeakPolarHBondContact O-CG 3.38Å; Q427-R431 PolarHBondContact O-N 2.92Å; Q427-R431 VanDerWaalsContact O-N 3.1Å
428H86.9Confident78.5Confident33 Ų3394.9 Ų94.915%0.15349%0.486CS..Hα-helixtrans-62.5-50174.7171.669.7000111.6C415 F419 S424 V425 I426 R430 R431 Y432C415-H428 PolarHBondContact SG-NE2 3.27Å; F419-H428 HydrophobicContact CE1-CB 3.98Å; F419-H428 HydrophobicContact CE2-CB 4.16Å; F419-H428 AromaticContact CE2-CD2 3.85Å; F419-H428 AromaticContact CE2-CG 3.95Å; F419-H428 HydrophobicContact CZ-CB 3.52Å; F419-H428 AromaticContact CZ-CD2 3.69Å; F419-H428 AromaticContact CZ-CG 3.35Å; F419-H428 AromaticContact CZ-ND1 3.83Å; S424-H428 VanDerWaalsContact O-CB 3.23Å; S424-H428 WeakPolarHBondContact O-CB 3.41Å; S424-H428 PolarHBondContact O-N 2.98Å; V425-H428 WeakPolarHBondContact O-CB 3.31Å; V425-H428 PolarHBondContact O-N 2.83Å; I426-H428 VanDerWaalsContact C-N 3.34Å; H428-R430 VanDerWaalsContact C-N 3.31Å; H428-R430 PolarHBondContact O-N 3.03Å; H428-R431 WeakPolarHBondContact O-CB 3.49Å; H428-R431 PolarHBondContact O-N 3.41Å; H428-Y432 WeakPolarHBondContact O-CB 3.45Å; H428-Y432 PolarHBondContact O-N 3.1Å
429Q86.3Confident78Confident61 Ų6196 Ų9629%0.28549%0.488SS..Hα-helixtrans-58.5-41.4176.8-74.7175-25.600111.9V425 I426 R431 Y432 A433V425-Q429 HydrophobicContact CG1-CG 4.22Å; V425-Q429 WeakPolarHBondContact O-CB 3.24Å; V425-Q429 WeakPolarHBondContact O-CG 3.08Å; V425-Q429 PolarHBondContact O-N 3.12Å; I426-Q429 PolarHBondContact O-N 2.64Å; Q429-R431 VanDerWaalsContact C-N 3.29Å; Q429-R431 PolarHBondContact O-N 3.43Å; Q429-Y432 PolarHBondContact O-N 2.86Å; Q429-A433 VanDerWaalsContact O-CB 3.28Å; Q429-A433 WeakPolarHBondContact O-CB 3.2Å; Q429-A433 PolarHBondContact O-N 3.35Å
430R85.4Confident77.5Confident176 Ų17698.8 Ų98.866%0.66450%0.504SS*.Hα-helixtrans-63.6-32.5175-75.3174.3-178.3-172.4-0.3113.2I426 Q427 H428 K434I426-R430 WeakPolarHBondContact O-CB 3.41Å; I426-R430 VanDerWaalsContact O-CG 3.24Å; I426-R430 WeakPolarHBondContact O-CG 3.3Å; I426-R430 PolarHBondContact O-N 2.89Å; Q427-R430 PolarHBondContact O-N 2.85Å; H428-R430 VanDerWaalsContact C-N 3.31Å; H428-R430 PolarHBondContact O-N 3.03Å; R430-K434 VanDerWaalsContact O-CG 3.26Å; R430-K434 WeakPolarHBondContact O-CG 3.49Å; R430-K434 PolarHBondContact O-N 3.15Å
431R84.3Confident77.2Confident150 Ų150102.1 Ų102.157%0.56652%0.516SS*.Hα-helixtrans-76.4-42.2175.1-73.1178.6178.2174.8-1111Q427 H428 Q429 K434 Q435Q427-R431 WeakPolarHBondContact O-CG 3.38Å; Q427-R431 PolarHBondContact O-N 2.92Å; Q427-R431 VanDerWaalsContact O-N 3.1Å; H428-R431 WeakPolarHBondContact O-CB 3.49Å; H428-R431 PolarHBondContact O-N 3.41Å; Q429-R431 VanDerWaalsContact C-N 3.29Å; Q429-R431 PolarHBondContact O-N 3.43Å; R431-K434 PolarHBondContact O-N 3.44Å; R431-K434 VanDerWaalsContact O-N 3.15Å; R431-Q435 WeakPolarHBondContact O-CG 3.18Å; R431-Q435 PolarHBondContact O-N 2.91Å
432Y77.7Confident76.8Confident111 Ų111107.4 Ų107.444%0.43554%0.542SS..Hα-helixtrans-61.9-44.6177.4-156.2-92.7000111.5V414 C415 H428 Q429 K434 Q435 G436V414-Y432 HydrophobicContact CG1-CD1 3.85Å; V414-Y432 HydrophobicContact CG1-CE1 3.67Å; C415-Y432 HydrophobicContact CB-CE2 4.25Å; H428-Y432 WeakPolarHBondContact O-CB 3.45Å; H428-Y432 PolarHBondContact O-N 3.1Å; Q429-Y432 PolarHBondContact O-N 2.86Å; Y432-K434 PolarHBondContact O-N 3.42Å; Y432-Q435 PolarHBondContact O-N 3.39Å; Y432-G436 PolarHBondContact O-N 3.21Å
433A76.9Confident76.2Confident68 Ų68105.3 Ų105.356%0.56254%0.537SS*.Hα-helixtrans-64.9-22.2175.400000113.9Q429Q429-A433 VanDerWaalsContact O-CB 3.28Å; Q429-A433 WeakPolarHBondContact O-CB 3.2Å; Q429-A433 PolarHBondContact O-N 3.35Å
434K74.2Confident75.6Confident175 Ų175107.1 Ų107.176%0.76154%0.537SS*.Hα-helixtrans-85.4-15.1173.6-74.4179178.4-160.30113.4R430 R431 Y432R430-K434 VanDerWaalsContact O-CG 3.26Å; R430-K434 WeakPolarHBondContact O-CG 3.49Å; R430-K434 PolarHBondContact O-N 3.15Å; R431-K434 PolarHBondContact O-N 3.44Å; R431-K434 VanDerWaalsContact O-N 3.15Å; Y432-K434 PolarHBondContact O-N 3.42Å
435Q67.6Low74.8Confident158 Ų158111.7 Ų111.774%0.73855%0.554SS**Hα-helixtrans-103.1-7.5-178.1-71.9177.4-18.200112.8R431 Y432R431-Q435 WeakPolarHBondContact O-CG 3.18Å; R431-Q435 PolarHBondContact O-N 2.91Å; Y432-Q435 PolarHBondContact O-N 3.39Å
436G56.9Low73.8Confident65 Ų65119.5 Ų119.567%0.6759%0.591SS**SBendtrans-105.628.5178.500000114.2Y432Y432-G436 PolarHBondContact O-N 3.21Å
437I50.1Low72.7Confident148 Ų148123.9 Ų123.976%0.75961%0.613SS**  trans-116.981.3166.7-53.5175.7000105.7
438D39.8Very low71.5Confident236 Ų236125.5 Ų125.5100%1.26262%0.623SS**  trans-153.30154.8-139.31.8000107.9

Retrieved 438 of 438 residues in 2177.3 ms (Link to these results)