A0A5K4F2D3_SCHMA Loading...

Protein SEC13 homolog

AlphaFold DB , UniProt , Accession A0A5K4F2D3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 370 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
1M89.6Confident94.9Very high158 Ų15885.9 Ų85.978%0.77843%0.433SS*.  01410160.9-179.4175.100106.6S18 S19M1-S18 CarbonylContact O-C 3.54Å; M1-S18 VanDerWaalsContact O-CA 3.24Å; M1-S18 WeakPolarHBondContact O-CA 3.49Å; M1-S18 PolarHBondContact O-OG 3.42Å; M1-S19 WeakPolarHBondContact CB-OG 3.46Å; M1-S19 PolarHBondContact N-OG 3.38Å; M1-S19 VanDerWaalsContact N-OG 3.15Å; M1-S19 PolarHBondContact O-N 3.17Å; M1-S19 PolarHBondContact O-OG 3.38Å
2I94.4Very high94.9Very high103 Ų10383.1 Ų83.153%0.52842%0.424SS..EExtended strand (participates in β ladder)trans-82.5129.2175.5-62.6173.5000107.2D4 A5 A17I2-D4 WeakPolarHBondContact CG2-O 3.02Å; I2-A5 HydrophobicContact CG2-CB 4.43Å; I2-A17 CarbonylContact C-O 3.55Å; I2-A17 WeakPolarHBondContact CA-O 3.29Å; I2-A17 WeakPolarHBondContact CG2-O 3.46Å
3H96Very high95Very high59 Ų5978.4 Ų78.427%0.27340%0.402SS..EExtended strand (participates in β ladder)trans-98.2-37.8179.3-70.4-62.9000112A17 S19 V46 W47H3-A17 PolarHBondContact N-O 3.2Å; H3-S19 PolarHBondContact CD2-OG 3.12Å; H3-S19 WeakPolarHBondContact NE2-CB 3.13Å; H3-S19 PolarHBondContact NE2-OG 2.91Å; H3-V46 PolarHBondContact CD2-O 3.41Å; H3-W47 HydrophobicContact CB-CE3 4.38Å; H3-W47 AromaticContact CD2-CE3 3.79Å; H3-W47 AromaticContact CD2-CZ3 3.75Å; H3-W47 AromaticContact CE1-CZ3 3.48Å; H3-W47 VanDerWaalsContact CE1-CZ3 3.48Å; H3-W47 WeakPolarHBondContact CE1-CZ3 3.35Å; H3-W47 AromaticContact CG-CE3 3.77Å; H3-W47 AromaticContact CG-CZ3 3.95Å; H3-W47 AromaticContact ND1-CE3 3.93Å; H3-W47 AromaticContact ND1-CZ3 3.77Å; H3-W47 AromaticContact NE2-CZ3 3.47Å; H3-W47 WeakPolarHBondContact NE2-CZ3 3.35Å
4D97Very high95.2Very high42 Ų4274.9 Ų74.923%0.22538%0.384CS..EExtended strand (participates in β ladder)trans-145.2150179.5-167.37.4000110.2I2 T16 A17 W47 S48 L49I2-D4 WeakPolarHBondContact CG2-O 3.02Å; D4-T16 WeakPolarHBondContact O-CA 3.38Å; D4-A17 HydrophobicContact CB-CB 4.33Å; D4-A17 PolarHBondContact O-N 2.91Å; D4-W47 WeakPolarHBondContact CB-O 3.36Å; D4-S48 WeakPolarHBondContact OD2-CA 3.48Å; D4-L49 PolarHBondContact OD2-N 3.08Å
5A97.1Very high95.4Very high53 Ų5369.9 Ų69.944%0.43836%0.358SS..EExtended strand (participates in β ladder)trans-149.4121.6175.800000109.7I2 L14 A15 T16I2-A5 HydrophobicContact CG2-CB 4.43Å; A5-L14 HydrophobicContact CB-CD1 4.31Å; A5-A15 CarbonylContact C-O 3.56Å; A5-A15 VanDerWaalsContact CA-O 3.22Å; A5-A15 WeakPolarHBondContact CA-O 3.39Å; A5-T16 HydrophobicContact CB-CG2 4.1Å
6Q96.9Very high95.6Very high65 Ų6566.3 Ų66.330%0.30434%0.34SS..EExtended strand (participates in β ladder)trans-130.8133.1-174.8-158.3-168.78.900111.2A15 L49 W51Q6-A15 PolarHBondContact N-O 3.31Å; Q6-A15 PolarHBondContact O-N 3.02Å; Q6-L49 PolarHBondContact OE1-O 2.92Å; Q6-W51 PolarHBondContact O-NE1 3.45Å
7L96Very high95.7Very high91 Ų9162.4 Ų62.448%0.47632%0.32SS..EExtended strand (participates in β ladder)trans-75.2146.8167.2-73.2169.5000110.4T13 L14 V28L7-T13 CarbonylContact C-O 3.43Å; L7-T13 WeakPolarHBondContact CA-O 3.11Å; L7-L14 HydrophobicContact CD2-CB 4.03Å; L7-L14 HydrophobicContact CD2-CD1 4.07Å; L7-L14 HydrophobicContact CG-CD1 4.23Å; L7-V28 HydrophobicContact CD2-CG2 3.77Å
8D96.2Very high95.8Very high25 Ų2559.6 Ų59.613%0.13431%0.307CS..  trans-65.5172.3167.573.8-31.7000111.4Y10 G11 T12 T13 W51D8-Y10 PolarHBondContact O-N 3.27Å; D8-Y10 VanDerWaalsContact O-N 3.12Å; D8-G11 PolarHBondContact O-N 2.98Å; D8-G11 WeakPolarHBondContact OD1-CA 3.23Å; D8-G11 PolarHBondContact OD1-N 3.05Å; D8-T12 PolarHBondContact OD1-N 3.02Å; D8-T12 PolarHBondContact OD2-OG1 3.23Å; D8-T13 PolarHBondContact N-O 3.35Å; D8-T13 PolarHBondContact OD1-N 2.77Å; D8-W51 HydrophobicContact CB-CD2 4.03Å; D8-W51 HydrophobicContact CB-CE3 4.28Å; D8-W51 HydrophobicContact CB-CG 4.38Å; D8-W51 HydrophobicContact CB-CZ2 4.4Å
9Y93.6Very high95.9Very high154 Ų15458.3 Ų58.360%0.60430%0.304SS*.THydrogen-bonded Turntrans-55.3-34-176.9-174.2-90.6000113.7P54Y9-P54 HydrophobicContact CD1-CG 3.79Å; Y9-P54 HydrophobicContact CE1-CG 4.39Å; Y9-P54 HydrophobicContact CG-CG 3.86Å
10Y94Very high96Very high157 Ų15759.2 Ų59.262%0.61631%0.309SS*.THydrogen-bonded Turntrans-95-2.2-177.9-56.9-66000113.9D8 T12 P54D8-Y10 PolarHBondContact O-N 3.27Å; D8-Y10 VanDerWaalsContact O-N 3.12Å; Y10-T12 PolarHBondContact O-N 2.69Å; Y10-P54 HydrophobicContact CE2-CB 3.65Å; Y10-P54 HydrophobicContact CE2-CG 3.91Å; Y10-P54 WeakPolarHBondContact OH-CG 3.33Å
11G93.5Very high96.1Very high38 Ų3859.9 Ų59.939%0.39231%0.311SS..SBendtrans66.823.4-176.700000114.2D8D8-G11 PolarHBondContact O-N 2.98Å; D8-G11 WeakPolarHBondContact OD1-CA 3.23Å; D8-G11 PolarHBondContact OD1-N 3.05Å
12T94.6Very high96.4Very high52 Ų5252.4 Ų52.432%0.31927%0.274SS..SBendtrans-97.8-24.9-17967.60000113.1D8 Y10 V28D8-T12 PolarHBondContact OD1-N 3.02Å; D8-T12 PolarHBondContact OD2-OG1 3.23Å; Y10-T12 PolarHBondContact O-N 2.69Å; T12-V28 VanDerWaalsContact O-CG2 3.31Å; T12-V28 WeakPolarHBondContact O-CG2 3.39Å; T12-V28 PolarHBondContact O-N 3.15Å
13T96.4Very high96.6Very high22 Ų2247.5 Ų47.514%0.13525%0.249CC..EExtended strand (participates in β ladder)trans-129.5133.3-174-53.70000109.6L7 D8 I25 F26 I36 W51L7-T13 CarbonylContact C-O 3.43Å; L7-T13 WeakPolarHBondContact CA-O 3.11Å; D8-T13 PolarHBondContact N-O 3.35Å; D8-T13 PolarHBondContact OD1-N 2.77Å; T13-I25 HydrophobicContact CG2-CG2 3.31Å; T13-F26 CarbonylContact C-O 3.58Å; T13-F26 VanDerWaalsContact CA-O 3.32Å; T13-F26 WeakPolarHBondContact CA-O 3.41Å; T13-I36 HydrophobicContact CG2-CD1 4.34Å; T13-W51 HydrophobicContact CG2-CH2 3.88Å; T13-W51 HydrophobicContact CG2-CZ2 3.9Å
14L97.6Very high96.7Very high29 Ų2947.4 Ų47.415%0.15225%0.248CC..EExtended strand (participates in β ladder)trans-112.7125.3176.7177.169.7000109.5A5 L7 T16 I25 F26 V28A5-L14 HydrophobicContact CB-CD1 4.31Å; L7-L14 HydrophobicContact CD2-CB 4.03Å; L7-L14 HydrophobicContact CD2-CD1 4.07Å; L7-L14 HydrophobicContact CG-CD1 4.23Å; L14-T16 HydrophobicContact CD2-CG2 4.22Å; L14-T16 HydrophobicContact CG-CG2 4.18Å; L14-I25 CarbonylContact O-C 3.34Å; L14-I25 WeakPolarHBondContact O-CA 3.27Å; L14-F26 HydrophobicContact CB-CB 4.34Å; L14-F26 PolarHBondContact N-O 3.45Å; L14-F26 PolarHBondContact O-N 3.37Å; L14-V28 HydrophobicContact CB-CG1 3.6Å; L14-V28 HydrophobicContact CD2-CG1 4.28Å
15A98.3Very high96.8Very high0 Ų045.4 Ų45.40%024%0.237CC..EExtended strand (participates in β ladder)trans-99.8142.3167.400000110.2A5 Q6 K24 I25 L49 W51 L60A5-A15 CarbonylContact C-O 3.56Å; A5-A15 VanDerWaalsContact CA-O 3.22Å; A5-A15 WeakPolarHBondContact CA-O 3.39Å; Q6-A15 PolarHBondContact N-O 3.31Å; Q6-A15 PolarHBondContact O-N 3.02Å; A15-K24 CarbonylContact C-O 3.56Å; A15-K24 WeakPolarHBondContact CA-O 3.39Å; A15-I25 HydrophobicContact CB-CD1 3.68Å; A15-L49 HydrophobicContact CB-CD1 3.75Å; A15-W51 HydrophobicContact CB-CZ2 3.66Å; A15-L60 HydrophobicContact CB-CD1 3.99Å; A15-L60 HydrophobicContact CB-CD2 3.65Å
16T98.3Very high96.8Very high12 Ų1244.7 Ų44.77%0.07422%0.224CC..EExtended strand (participates in β ladder)trans-130.5133.7175.667.60000110.9D4 A5 L14 V23 K24 F26 L49D4-T16 WeakPolarHBondContact O-CA 3.38Å; A5-T16 HydrophobicContact CB-CG2 4.1Å; L14-T16 HydrophobicContact CD2-CG2 4.22Å; L14-T16 HydrophobicContact CG-CG2 4.18Å; T16-V23 VanDerWaalsContact O-CA 3.32Å; T16-V23 WeakPolarHBondContact O-CA 3.44Å; T16-K24 PolarHBondContact N-O 2.9Å; T16-K24 PolarHBondContact O-N 3.16Å; T16-F26 HydrophobicContact CG2-CD2 4.19Å; T16-F26 HydrophobicContact CG2-CE2 3.93Å; T16-L49 VanDerWaalsContact C-CD1 3.49Å
17A98.2Very high96.8Very high0 Ų042.9 Ų42.90%022%0.216CC..EExtended strand (participates in β ladder)trans-107138.3175.500000110.5I2 H3 D4 V46 L49I2-A17 CarbonylContact C-O 3.55Å; I2-A17 WeakPolarHBondContact CA-O 3.29Å; I2-A17 WeakPolarHBondContact CG2-O 3.46Å; H3-A17 PolarHBondContact N-O 3.2Å; D4-A17 HydrophobicContact CB-CB 4.33Å; D4-A17 PolarHBondContact O-N 2.91Å; A17-V46 HydrophobicContact CB-CB 3.8Å; A17-V46 HydrophobicContact CB-CG1 3.55Å; A17-L49 HydrophobicContact CB-CD1 3.72Å; A17-L49 HydrophobicContact CB-CD2 4.05Å; A17-L49 HydrophobicContact CB-CG 3.64Å
18S97.8Very high96.8Very high12 Ų1240 Ų408%0.08420%0.202CC..EExtended strand (participates in β ladder)trans-140.9156-169.8163.20000113M1 D20 H21 S22 V46M1-S18 CarbonylContact O-C 3.54Å; M1-S18 VanDerWaalsContact O-CA 3.24Å; M1-S18 WeakPolarHBondContact O-CA 3.49Å; M1-S18 PolarHBondContact O-OG 3.42Å; S18-D20 WeakPolarHBondContact CB-OD1 3.24Å; S18-D20 PolarHBondContact O-N 2.63Å; S18-D20 PolarHBondContact OG-N 3.13Å; S18-D20 PolarHBondContact OG-OD1 3.39Å; S18-H21 PolarHBondContact O-N 2.98Å; S18-S22 PolarHBondContact N-O 3.07Å; S18-V46 PolarHBondContact O-N 3.38Å
19S97.5Very high96.7Very high35 Ų3545.9 Ų45.925%0.24522%0.223CC..THydrogen-bonded Turntrans-65.4-12174.6-14.80000113.6M1 H3 H21M1-S19 WeakPolarHBondContact CB-OG 3.46Å; M1-S19 PolarHBondContact N-OG 3.38Å; M1-S19 VanDerWaalsContact N-OG 3.15Å; M1-S19 PolarHBondContact O-N 3.17Å; M1-S19 PolarHBondContact O-OG 3.38Å; H3-S19 PolarHBondContact CD2-OG 3.12Å; H3-S19 WeakPolarHBondContact NE2-CB 3.13Å; H3-S19 PolarHBondContact NE2-OG 2.91Å; S19-H21 PolarHBondContact O-CD2 3.09Å; S19-H21 VanDerWaalsContact O-CD2 3.23Å; S19-H21 PolarHBondContact O-N 2.84Å
20D97.1Very high96.4Very high76 Ų7645.8 Ų45.841%0.40623%0.233SC..THydrogen-bonded Turntrans-82.616.4173.972.3-12.5000113.2S18 S22 K24S18-D20 WeakPolarHBondContact CB-OD1 3.24Å; S18-D20 PolarHBondContact O-N 2.63Å; S18-D20 PolarHBondContact OG-N 3.13Å; S18-D20 PolarHBondContact OG-OD1 3.39Å; D20-S22 VanDerWaalsContact CG-OG 3.23Å; D20-S22 PolarHBondContact O-N 2.53Å; D20-S22 WeakPolarHBondContact OD1-CB 3.27Å; D20-S22 PolarHBondContact OD1-N 3.4Å; D20-S22 PolarHBondContact OD1-OG 3.32Å; D20-S22 PolarHBondContact OD2-OG 3.14Å; D20-K24 IonicContact OD2-NZ 3.7Å
21H97.5Very high96.1Very high74 Ų7446.7 Ų46.734%0.34324%0.24SC..SBendtrans66.511.3178.4-39167.4000114S18 S19 H42 G44S18-H21 PolarHBondContact O-N 2.98Å; S19-H21 PolarHBondContact O-CD2 3.09Å; S19-H21 VanDerWaalsContact O-CD2 3.23Å; S19-H21 PolarHBondContact O-N 2.84Å; H21-H42 HydrophobicContact CB-CB 4.48Å; H21-H42 WeakPolarHBondContact CB-O 3.42Å; H21-G44 WeakPolarHBondContact CA-O 2.99Å; H21-G44 WeakPolarHBondContact CB-O 3.26Å; H21-G44 VanDerWaalsContact CD2-CA 3.47Å; H21-G44 WeakPolarHBondContact CD2-CA 3.24Å; H21-G44 PolarHBondContact CD2-O 2.81Å; H21-G44 VanDerWaalsContact CD2-O 3.31Å
22S97.3Very high96.1Very high1 Ų152 Ų521%0.00725%0.252CS..  trans-103.1142.5-176.9760000112.4S18 D20 K24 H38 L39S18-S22 PolarHBondContact N-O 3.07Å; D20-S22 VanDerWaalsContact CG-OG 3.23Å; D20-S22 PolarHBondContact O-N 2.53Å; D20-S22 WeakPolarHBondContact OD1-CB 3.27Å; D20-S22 PolarHBondContact OD1-N 3.4Å; D20-S22 PolarHBondContact OD1-OG 3.32Å; D20-S22 PolarHBondContact OD2-OG 3.14Å; S22-K24 WeakPolarHBondContact OG-CE 3.45Å; S22-H38 WeakPolarHBondContact CB-NE2 3.4Å; S22-L39 WeakPolarHBondContact CA-O 3.33Å
23V98.4Very high96.1Very high1 Ų156.5 Ų56.51%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-107.2120.7160.1-178.70000107.4T16 I25 L39 V46 L49 L60T16-V23 VanDerWaalsContact O-CA 3.32Å; T16-V23 WeakPolarHBondContact O-CA 3.44Å; V23-I25 HydrophobicContact CG1-CD1 4.07Å; V23-L39 HydrophobicContact CB-CB 4.15Å; V23-L39 HydrophobicContact CB-CD1 4.4Å; V23-L39 HydrophobicContact CG1-CD1 4.25Å; V23-L39 PolarHBondContact N-O 3.15Å; V23-L39 WeakPolarHBondContact O-CB 3.44Å; V23-L39 PolarHBondContact O-N 3.2Å; V23-V46 HydrophobicContact CG2-CB 4.43Å; V23-V46 HydrophobicContact CG2-CG1 3.88Å; V23-V46 HydrophobicContact CG2-CG2 4.14Å; V23-L49 HydrophobicContact CG1-CD2 3.87Å; V23-L49 HydrophobicContact CG2-CD2 4.04Å; V23-L60 HydrophobicContact CG1-CD2 3.83Å
24K98.2Very high96.1Very high56 Ų5659.4 Ų59.424%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-109.5137.8178.2-67.2173.7-171.3159.70109.3A15 T16 D20 S22 F26 L35 H38A15-K24 CarbonylContact C-O 3.56Å; A15-K24 WeakPolarHBondContact CA-O 3.39Å; T16-K24 PolarHBondContact N-O 2.9Å; T16-K24 PolarHBondContact O-N 3.16Å; D20-K24 IonicContact OD2-NZ 3.7Å; S22-K24 WeakPolarHBondContact OG-CE 3.45Å; K24-F26 HydrophobicContact CB-CD2 4.33Å; K24-F26 HydrophobicContact CB-CE2 3.48Å; K24-F26 VanDerWaalsContact CB-CE2 3.48Å; K24-F26 HydrophobicContact CB-CZ 3.86Å; K24-F26 HydrophobicContact CD-CZ 4.15Å; K24-L35 HydrophobicContact CB-CD1 3.81Å; K24-L35 HydrophobicContact CD-CD1 4.38Å; K24-L35 HydrophobicContact CG-CD1 4.13Å; K24-H38 VanDerWaalsContact CE-NE2 3.35Å; K24-H38 WeakPolarHBondContact CE-NE2 3.43Å
25I98.1Very high96.1Very high0 Ų062.3 Ų62.30%030%0.302CS..EExtended strand (participates in β ladder)trans-113.1127.6178.2-46.9-60.6000108.3T13 L14 A15 V23 I36 A37 L39 L60 W79T13-I25 HydrophobicContact CG2-CG2 3.31Å; L14-I25 CarbonylContact O-C 3.34Å; L14-I25 WeakPolarHBondContact O-CA 3.27Å; A15-I25 HydrophobicContact CB-CD1 3.68Å; V23-I25 HydrophobicContact CG1-CD1 4.07Å; I25-I36 HydrophobicContact CB-CG1 3.98Å; I25-I36 HydrophobicContact CG2-CD1 3.75Å; I25-I36 HydrophobicContact CG2-CG1 3.73Å; I25-I36 VanDerWaalsContact O-CG1 3.31Å; I25-I36 WeakPolarHBondContact O-CG1 3.23Å; I25-I36 PolarHBondContact O-N 3.41Å; I25-A37 HydrophobicContact CB-CB 4.03Å; I25-A37 HydrophobicContact CG1-CB 4.01Å; I25-A37 PolarHBondContact N-O 2.6Å; I25-A37 PolarHBondContact O-N 2.91Å; I25-L39 HydrophobicContact CD1-CD1 4.17Å; I25-L39 HydrophobicContact CG1-CD1 4.03Å; I25-L39 HydrophobicContact CG1-CG 4.49Å; I25-L60 HydrophobicContact CD1-CD2 3.45Å; I25-L60 VanDerWaalsContact CD1-CD2 3.45Å; I25-W79 HydrophobicContact CG1-CD2 4.3Å; I25-W79 HydrophobicContact CG1-CZ2 4.48Å; I25-W79 HydrophobicContact CG2-CZ2 3.98Å
26F97.7Very high96Very high39 Ų3966.1 Ų66.117%0.17132%0.322CS..EExtended strand (participates in β ladder)trans-120.4138.3-179.7-58.9-94.9000110.5T13 L14 T16 K24 V28 V34 L35T13-F26 CarbonylContact C-O 3.58Å; T13-F26 VanDerWaalsContact CA-O 3.32Å; T13-F26 WeakPolarHBondContact CA-O 3.41Å; L14-F26 HydrophobicContact CB-CB 4.34Å; L14-F26 PolarHBondContact N-O 3.45Å; L14-F26 PolarHBondContact O-N 3.37Å; T16-F26 HydrophobicContact CG2-CD2 4.19Å; T16-F26 HydrophobicContact CG2-CE2 3.93Å; K24-F26 HydrophobicContact CB-CD2 4.33Å; K24-F26 HydrophobicContact CB-CE2 3.48Å; K24-F26 VanDerWaalsContact CB-CE2 3.48Å; K24-F26 HydrophobicContact CB-CZ 3.86Å; K24-F26 HydrophobicContact CD-CZ 4.15Å; F26-V28 HydrophobicContact CB-CG1 4.31Å; F26-V34 CarbonylContact C-O 3.58Å; F26-V34 VanDerWaalsContact CA-O 3.23Å; F26-V34 WeakPolarHBondContact CA-O 3.34Å; F26-L35 HydrophobicContact CD1-CB 4.07Å; F26-L35 HydrophobicContact CD1-CD1 4.14Å; F26-L35 HydrophobicContact CE1-CB 3.96Å; F26-L35 HydrophobicContact CE1-CD1 3.73Å; F26-L35 HydrophobicContact CE1-CG 4.45Å; F26-L35 HydrophobicContact CE2-CD1 4.34Å; F26-L35 HydrophobicContact CZ-CD1 3.84Å
27D96.5Very high95.9Very high26 Ų2666.2 Ų66.214%0.13932%0.324CS..EExtended strand (participates in β ladder)trans-80.9127.3162-171.9-40000108.8R29 Q33 V34 I36D27-R29 VanDerWaalsContact CG-NE 3.29Å; D27-R29 WeakPolarHBondContact OD1-CB 3.31Å; D27-R29 VanDerWaalsContact OD1-CG 3.27Å; D27-R29 WeakPolarHBondContact OD1-CG 3.31Å; D27-R29 IonicContact OD1-CZ 3.7Å; D27-R29 PolarHBondContact OD1-N 3.05Å; D27-R29 VanDerWaalsContact OD1-N 3.09Å; D27-R29 IonicContact OD1-NE 2.84Å; D27-R29 PolarHBondContact OD1-NE 2.91Å; D27-R29 IonicContact OD1-NH2 3.83Å; D27-R29 IonicContact OD2-CZ 3Å; D27-R29 IonicContact OD2-NE 2.98Å; D27-R29 PolarHBondContact OD2-NE 3.36Å; D27-R29 IonicContact OD2-NH2 2.53Å; D27-R29 PolarHBondContact OD2-NH2 2.82Å; D27-Q33 WeakPolarHBondContact O-CA 3.37Å; D27-V34 HydrophobicContact CB-CB 4.37Å; D27-V34 PolarHBondContact N-O 3.3Å; D27-V34 PolarHBondContact O-N 2.8Å; D27-I36 HydrophobicContact CB-CG2 3.86Å
28V95.7Very high95.8Very high30 Ų3069.8 Ų69.818%0.18234%0.34CS..  trans-114.817.6-173.5-63.10000114.1L7 T12 L14 F26 K32 Q33L7-V28 HydrophobicContact CD2-CG2 3.77Å; T12-V28 VanDerWaalsContact O-CG2 3.31Å; T12-V28 WeakPolarHBondContact O-CG2 3.39Å; T12-V28 PolarHBondContact O-N 3.15Å; L14-V28 HydrophobicContact CB-CG1 3.6Å; L14-V28 HydrophobicContact CD2-CG1 4.28Å; F26-V28 HydrophobicContact CB-CG1 4.31Å; V28-K32 CarbonylContact C-O 3.58Å; V28-K32 WeakPolarHBondContact CA-O 3.32Å; V28-Q33 HydrophobicContact CG1-CG 4.23Å
29R93.6Very high95.8Very high150 Ų15069.8 Ų69.857%0.56634%0.34SS*.G310 helixtrans-66.5145.2179.6-64173.8-64-177.87.5111.3D27 K31 K32D27-R29 VanDerWaalsContact CG-NE 3.29Å; D27-R29 WeakPolarHBondContact OD1-CB 3.31Å; D27-R29 VanDerWaalsContact OD1-CG 3.27Å; D27-R29 WeakPolarHBondContact OD1-CG 3.31Å; D27-R29 IonicContact OD1-CZ 3.7Å; D27-R29 PolarHBondContact OD1-N 3.05Å; D27-R29 VanDerWaalsContact OD1-N 3.09Å; D27-R29 IonicContact OD1-NE 2.84Å; D27-R29 PolarHBondContact OD1-NE 2.91Å; D27-R29 IonicContact OD1-NH2 3.83Å; D27-R29 IonicContact OD2-CZ 3Å; D27-R29 IonicContact OD2-NE 2.98Å; D27-R29 PolarHBondContact OD2-NE 3.36Å; D27-R29 IonicContact OD2-NH2 2.53Å; D27-R29 PolarHBondContact OD2-NH2 2.82Å; R29-K31 PolarHBondContact O-N 2.88Å; R29-K32 PolarHBondContact O-N 3.11Å
30N89.1Confident95.8Very high151 Ų15176.7 Ų76.781%0.80736%0.36SS*.G310 helixtrans5937.7175.3-55.2-42000115.2K32N30-K32 PolarHBondContact O-N 3.19Å; N30-K32 VanDerWaalsContact O-N 3.07Å
31K86.7Confident95.8Very high176 Ų17675.2 Ų75.277%0.76535%0.352SS*.G310 helixtrans58.419.2180-54.5-176.1179.6-175.70113.4R29 A370R29-K31 PolarHBondContact O-N 2.88Å; K31-A370 PolarHBondContact NZ-OXT 3.34Å; K31-A370 VanDerWaalsContact NZ-OXT 3.14Å
32K92.5Very high95.8Very high151 Ų15171.9 Ų71.966%0.65734%0.337SS*.  trans-111.9146.6173.9-67.3-173.2179.8-178.40109.3V28 R29 N30V28-K32 CarbonylContact C-O 3.58Å; V28-K32 WeakPolarHBondContact CA-O 3.32Å; R29-K32 PolarHBondContact O-N 3.11Å; N30-K32 PolarHBondContact O-N 3.19Å; N30-K32 VanDerWaalsContact O-N 3.07Å
33Q94.7Very high95.8Very high146 Ų14678.6 Ų78.668%0.68237%0.368SS*.  trans-112.3115.7175.6-61178.2-3.800108.6D27 V28D27-Q33 WeakPolarHBondContact O-CA 3.37Å; V28-Q33 HydrophobicContact CG1-CG 4.23Å
34V96.8Very high95.7Very high83 Ų8378.7 Ų78.750%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-119120.3179.6-178.50000108.8F26 D27 I36F26-V34 CarbonylContact C-O 3.58Å; F26-V34 VanDerWaalsContact CA-O 3.23Å; F26-V34 WeakPolarHBondContact CA-O 3.34Å; D27-V34 HydrophobicContact CB-CB 4.37Å; D27-V34 PolarHBondContact N-O 3.3Å; D27-V34 PolarHBondContact O-N 2.8Å; V34-I36 PolarHBondContact O-N 3.17Å
35L97.1Very high95.7Very high89 Ų8977.4 Ų77.447%0.46637%0.367SS..EExtended strand (participates in β ladder)trans-66.2119.4176-178.172.1000109.6K24 F26 A37K24-L35 HydrophobicContact CB-CD1 3.81Å; K24-L35 HydrophobicContact CD-CD1 4.38Å; K24-L35 HydrophobicContact CG-CD1 4.13Å; F26-L35 HydrophobicContact CD1-CB 4.07Å; F26-L35 HydrophobicContact CD1-CD1 4.14Å; F26-L35 HydrophobicContact CE1-CB 3.96Å; F26-L35 HydrophobicContact CE1-CD1 3.73Å; F26-L35 HydrophobicContact CE1-CG 4.45Å; F26-L35 HydrophobicContact CE2-CD1 4.34Å; F26-L35 HydrophobicContact CZ-CD1 3.84Å; L35-A37 WeakPolarHBondContact CD1-O 3.22Å
36I96.3Very high95.8Very high80 Ų8077.4 Ų77.441%0.4137%0.367SS..EExtended strand (participates in β ladder)trans-107.7-25.9178.760.3171.3000113T13 I25 D27 V34T13-I36 HydrophobicContact CG2-CD1 4.34Å; I25-I36 HydrophobicContact CB-CG1 3.98Å; I25-I36 HydrophobicContact CG2-CD1 3.75Å; I25-I36 HydrophobicContact CG2-CG1 3.73Å; I25-I36 VanDerWaalsContact O-CG1 3.31Å; I25-I36 WeakPolarHBondContact O-CG1 3.23Å; I25-I36 PolarHBondContact O-N 3.41Å; D27-I36 HydrophobicContact CB-CG2 3.86Å; V34-I36 PolarHBondContact O-N 3.17Å
37A97.1Very high95.8Very high15 Ų1579.2 Ų79.212%0.12437%0.372CS..EExtended strand (participates in β ladder)trans-150151.2175.100000113.2I25 L35 L39 W79I25-A37 HydrophobicContact CB-CB 4.03Å; I25-A37 HydrophobicContact CG1-CB 4.01Å; I25-A37 PolarHBondContact N-O 2.6Å; I25-A37 PolarHBondContact O-N 2.91Å; L35-A37 WeakPolarHBondContact CD1-O 3.22Å; A37-L39 HydrophobicContact CB-CD2 4.13Å; A37-W79 HydrophobicContact CB-CB 3.92Å; A37-W79 HydrophobicContact CB-CG 3.66Å
38H97.1Very high95.9Very high74 Ų7478.6 Ų78.634%0.34337%0.37SS..EExtended strand (participates in β ladder)trans-132.698.6178.5-168.1173.9000109.4S22 K24 R40S22-H38 WeakPolarHBondContact CB-NE2 3.4Å; K24-H38 VanDerWaalsContact CE-NE2 3.35Å; K24-H38 WeakPolarHBondContact CE-NE2 3.43Å; H38-R40 PolarHBondContact CE1-NE 3.11Å; H38-R40 PolarHBondContact CE1-NH2 3.37Å; H38-R40 PolarHBondContact NE2-NE 3.18Å; H38-R40 PolarHBondContact NE2-NH2 3.36Å
39L97.7Very high96Very high13 Ų1377.4 Ų77.47%0.06836%0.363CS..EExtended strand (participates in β ladder)trans-96.3118.1-171.8-45176000108.6S22 V23 I25 A37 W72 W79S22-L39 WeakPolarHBondContact CA-O 3.33Å; V23-L39 HydrophobicContact CB-CB 4.15Å; V23-L39 HydrophobicContact CB-CD1 4.4Å; V23-L39 HydrophobicContact CG1-CD1 4.25Å; V23-L39 PolarHBondContact N-O 3.15Å; V23-L39 WeakPolarHBondContact O-CB 3.44Å; V23-L39 PolarHBondContact O-N 3.2Å; I25-L39 HydrophobicContact CD1-CD1 4.17Å; I25-L39 HydrophobicContact CG1-CD1 4.03Å; I25-L39 HydrophobicContact CG1-CG 4.49Å; A37-L39 HydrophobicContact CB-CD2 4.13Å; L39-W72 HydrophobicContact CB-CD2 4.29Å; L39-W72 HydrophobicContact CB-CE3 4.12Å; L39-W72 HydrophobicContact CB-CH2 3.75Å; L39-W72 HydrophobicContact CB-CZ2 3.96Å; L39-W72 HydrophobicContact CB-CZ3 3.85Å; L39-W72 HydrophobicContact CD1-CB 4.15Å; L39-W72 HydrophobicContact CD1-CD2 3.64Å; L39-W72 HydrophobicContact CD1-CE3 3.87Å; L39-W72 HydrophobicContact CD1-CG 3.76Å; L39-W72 HydrophobicContact CD1-CZ3 4.47Å; L39-W72 HydrophobicContact CD2-CE3 4.13Å; L39-W72 HydrophobicContact CD2-CZ3 4.27Å; L39-W72 HydrophobicContact CG-CD2 4.41Å; L39-W72 HydrophobicContact CG-CE3 4.25Å; L39-W72 HydrophobicContact CG-CZ3 4.41Å; L39-W79 HydrophobicContact CD1-CE3 4.41Å; L39-W79 HydrophobicContact CD2-CB 3.67Å; L39-W79 HydrophobicContact CD2-CG 4.45Å
40R96.1Very high96.2Very high179 Ų17970.7 Ų70.768%0.67534%0.339SS*.  trans-135.174.1-171.2-70.2179.7166.8-170.1-9.9110.9H38H38-R40 PolarHBondContact CE1-NE 3.11Å; H38-R40 PolarHBondContact CE1-NH2 3.37Å; H38-R40 PolarHBondContact NE2-NE 3.18Å; H38-R40 PolarHBondContact NE2-NH2 3.36Å
41D97.1Very high96.6Very high45 Ų4564.7 Ų64.724%0.24131%0.305CS..  trans-118.2-31.7177.1-163.3-70.5000111.9Q43 I70 W72 K81D41-Q43 PolarHBondContact O-NE2 3.04Å; D41-I70 HydrophobicContact CB-CD1 3.85Å; D41-W72 HydrophobicContact CB-CH2 3.55Å; D41-W72 HydrophobicContact CB-CZ2 4.21Å; D41-K81 IonicContact OD1-NZ 3.77Å; D41-K81 PolarHBondContact OD1-NZ 2.92Å; D41-K81 VanDerWaalsContact OD1-NZ 3.12Å; D41-K81 WeakPolarHBondContact OD2-CE 3.2Å; D41-K81 IonicContact OD2-NZ 2.69Å; D41-K81 PolarHBondContact OD2-NZ 3.39Å
42H97.8Very high97.1Very high5 Ų556.7 Ų56.72%0.02327%0.271CS..  trans-57.3142.7175-78.3-71.2000112.5H21 V46 S62 D66H21-H42 HydrophobicContact CB-CB 4.48Å; H21-H42 WeakPolarHBondContact CB-O 3.42Å; H42-V46 HydrophobicContact CB-CG2 3.92Å; H42-S62 PolarHBondContact NE2-OG 2.67Å; H42-D66 WeakPolarHBondContact CA-OD2 3.36Å; H42-D66 WeakPolarHBondContact CB-OD2 3.47Å; H42-D66 IonicContact CE1-OD1 3.25Å; H42-D66 IonicContact CG-OD2 3.49Å; H42-D66 VanDerWaalsContact ND1-CG 3.29Å; H42-D66 IonicContact ND1-OD1 2.68Å; H42-D66 PolarHBondContact ND1-OD1 2.68Å; H42-D66 IonicContact ND1-OD2 2.97Å; H42-D66 PolarHBondContact ND1-OD2 3.05Å
43Q97.3Very high97.3Very high142 Ų14251.8 Ų51.866%0.66425%0.251SS*.SBendtrans-104.713.9179.4-58.6-57.1-51.700112.8D41 D66D41-Q43 PolarHBondContact O-NE2 3.04Å; Q43-D66 HydrophobicContact CB-CB 4.08Å; Q43-D66 PolarHBondContact N-OD2 3.39Å
44G97.3Very high97.3Very high3 Ų346.5 Ų46.53%0.03123%0.229CC..SBendtrans-159.7176.4178.600000110.9H21 V46H21-G44 WeakPolarHBondContact CA-O 2.99Å; H21-G44 WeakPolarHBondContact CB-O 3.26Å; H21-G44 VanDerWaalsContact CD2-CA 3.47Å; H21-G44 WeakPolarHBondContact CD2-CA 3.24Å; H21-G44 PolarHBondContact CD2-O 2.81Å; H21-G44 VanDerWaalsContact CD2-O 3.31Å; G44-V46 PolarHBondContact O-N 3.36Å
45P98.2Very high97.2Very high29 Ų2947.8 Ų47.819%0.18823%0.231CC..  trans-50135175.5-31.436.7000112.6W47 G64 Y65P45-W47 HydrophobicContact CB-CD2 4.39Å; P45-W47 HydrophobicContact CB-CE3 4.27Å; P45-W47 HydrophobicContact CB-CH2 3.57Å; P45-W47 HydrophobicContact CB-CZ2 3.7Å; P45-W47 HydrophobicContact CB-CZ3 3.88Å; P45-W47 HydrophobicContact CG-CH2 4.1Å; P45-W47 HydrophobicContact CG-CZ2 4.24Å; P45-G64 CarbonylContact O-C 3.56Å; P45-G64 WeakPolarHBondContact O-CA 3.45Å; P45-Y65 PolarHBondContact O-N 2.96Å
46V98.6Very high97Very high0 Ų046.5 Ų46.50%022%0.22CC..EExtended strand (participates in β ladder)trans-90.6126.9172.7-169.90000107.9H3 A17 S18 V23 H42 G44 C63H3-V46 PolarHBondContact CD2-O 3.41Å; A17-V46 HydrophobicContact CB-CB 3.8Å; A17-V46 HydrophobicContact CB-CG1 3.55Å; S18-V46 PolarHBondContact O-N 3.38Å; V23-V46 HydrophobicContact CG2-CB 4.43Å; V23-V46 HydrophobicContact CG2-CG1 3.88Å; V23-V46 HydrophobicContact CG2-CG2 4.14Å; H42-V46 HydrophobicContact CB-CG2 3.92Å; G44-V46 PolarHBondContact O-N 3.36Å; V46-C63 VanDerWaalsContact CG1-O 3.28Å; V46-C63 WeakPolarHBondContact CG1-O 3.39Å
47W98.2Very high96.8Very high76 Ų7644.1 Ų44.129%0.28822%0.215SC..EExtended strand (participates in β ladder)trans-97.7-47.7-170.9-59.9129.1000113.1H3 D4 P45 C63 Y65 S91H3-W47 HydrophobicContact CB-CE3 4.38Å; H3-W47 AromaticContact CD2-CE3 3.79Å; H3-W47 AromaticContact CD2-CZ3 3.75Å; H3-W47 AromaticContact CE1-CZ3 3.48Å; H3-W47 VanDerWaalsContact CE1-CZ3 3.48Å; H3-W47 WeakPolarHBondContact CE1-CZ3 3.35Å; H3-W47 AromaticContact CG-CE3 3.77Å; H3-W47 AromaticContact CG-CZ3 3.95Å; H3-W47 AromaticContact ND1-CE3 3.93Å; H3-W47 AromaticContact ND1-CZ3 3.77Å; H3-W47 AromaticContact NE2-CZ3 3.47Å; H3-W47 WeakPolarHBondContact NE2-CZ3 3.35Å; D4-W47 WeakPolarHBondContact CB-O 3.36Å; P45-W47 HydrophobicContact CB-CD2 4.39Å; P45-W47 HydrophobicContact CB-CE3 4.27Å; P45-W47 HydrophobicContact CB-CH2 3.57Å; P45-W47 HydrophobicContact CB-CZ2 3.7Å; P45-W47 HydrophobicContact CB-CZ3 3.88Å; P45-W47 HydrophobicContact CG-CH2 4.1Å; P45-W47 HydrophobicContact CG-CZ2 4.24Å; W47-C63 PolarHBondContact N-O 2.87Å; W47-Y65 HydrophobicContact CZ2-CD2 4.07Å; W47-Y65 HydrophobicContact CZ2-CG 4.31Å; W47-Y65 VanDerWaalsContact NE1-N 3.17Å; W47-S91 PolarHBondContact NE1-OG 2.88Å
48S98.2Very high96.7Very high13 Ų1346 Ų469%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-139.6149.2-170.9176.40000111.4D4 C63 V95D4-S48 WeakPolarHBondContact OD2-CA 3.48Å; S48-C63 PolarHBondContact O-N 3.45Å; S48-V95 PolarHBondContact OG-N 3.35Å
49L98.4Very high96.7Very high5 Ų542.8 Ų42.83%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-122.8148.6176.6-65.4173.3000110D4 Q6 A15 T16 A17 V23 L60 A61D4-L49 PolarHBondContact OD2-N 3.08Å; Q6-L49 PolarHBondContact OE1-O 2.92Å; A15-L49 HydrophobicContact CB-CD1 3.75Å; T16-L49 VanDerWaalsContact C-CD1 3.49Å; A17-L49 HydrophobicContact CB-CD1 3.72Å; A17-L49 HydrophobicContact CB-CD2 4.05Å; A17-L49 HydrophobicContact CB-CG 3.64Å; V23-L49 HydrophobicContact CG1-CD2 3.87Å; V23-L49 HydrophobicContact CG2-CD2 4.04Å; L49-L60 HydrophobicContact CB-CD1 4.24Å; L49-L60 HydrophobicContact CD2-CD1 4.34Å; L49-L60 HydrophobicContact CD2-CD2 4.32Å; L49-L60 HydrophobicContact CD2-CG 4.44Å; L49-A61 WeakPolarHBondContact CA-O 3.42Å
50S98.2Very high96.7Very high10 Ų1042.2 Ų42.27%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-144.5121.5170.2-153.70000110.6A61 V95 W97S50-A61 PolarHBondContact N-O 2.89Å; S50-A61 PolarHBondContact O-N 3.42Å; S50-V95 WeakPolarHBondContact CB-O 3.39Å; S50-W97 VanDerWaalsContact CB-CD1 3.43Å; S50-W97 PolarHBondContact O-NE1 3.07Å; S50-W97 VanDerWaalsContact OG-CD1 3.31Å; S50-W97 PolarHBondContact OG-N 3.42Å; S50-W97 VanDerWaalsContact OG-N 3.16Å
51W98.1Very high96.9Very high24 Ų2433.7 Ų33.79%0.09118%0.177CC..EExtended strand (participates in β ladder)trans-78134.8170.4-74.9105000111.6Q6 D8 T13 A15 L60 W79Q6-W51 PolarHBondContact O-NE1 3.45Å; D8-W51 HydrophobicContact CB-CD2 4.03Å; D8-W51 HydrophobicContact CB-CE3 4.28Å; D8-W51 HydrophobicContact CB-CG 4.38Å; D8-W51 HydrophobicContact CB-CZ2 4.4Å; T13-W51 HydrophobicContact CG2-CH2 3.88Å; T13-W51 HydrophobicContact CG2-CZ2 3.9Å; A15-W51 HydrophobicContact CB-CZ2 3.66Å; W51-L60 HydrophobicContact CD2-CB 4.5Å; W51-L60 HydrophobicContact CD2-CD1 3.79Å; W51-L60 HydrophobicContact CE3-CB 4.13Å; W51-L60 HydrophobicContact CE3-CD1 4.27Å; W51-L60 HydrophobicContact CG-CD1 4.05Å; W51-L60 HydrophobicContact CH2-CB 4.44Å; W51-L60 HydrophobicContact CZ2-CD1 4.3Å; W51-L60 HydrophobicContact CZ2-CD2 4.48Å; W51-L60 HydrophobicContact CZ3-CB 4.12Å; W51-W79 AromaticContact CH2-CH2 3.46Å; W51-W79 HydrophobicContact CH2-CH2 3.46Å; W51-W79 VanDerWaalsContact CH2-CH2 3.46Å; W51-W79 AromaticContact CH2-CZ2 3.85Å; W51-W79 HydrophobicContact CH2-CZ2 3.85Å; W51-W79 HydrophobicContact CH2-CZ3 4.47Å; W51-W79 AromaticContact CZ3-CH2 3.53Å; W51-W79 HydrophobicContact CZ3-CH2 3.53Å; W51-W79 HydrophobicContact CZ3-CZ2 4.26Å; W51-W79 HydrophobicContact CZ3-CZ3 4.45Å
52S97.1Very high96.9Very high8 Ų831.5 Ų31.56%0.05617%0.166CC..PPolyproline II helixtrans-75.5165.4172760000111.2G57 L59S52-G57 PolarHBondContact OG-O 3.25Å; S52-L59 PolarHBondContact N-O 3.23Å; S52-L59 VanDerWaalsContact OG-CB 3.26Å; S52-L59 WeakPolarHBondContact OG-CB 3.48Å; S52-L59 PolarHBondContact OG-N 2.95Å; S52-L59 PolarHBondContact OG-O 2.72Å
53H95.8Very high97Very high49 Ų4931.3 Ų31.323%0.22717%0.165CC..PPolyproline II helixtrans-63.6138.5168.5-168.4-100.8000110.8M55 Y56 H100H53-M55 HydrophobicContact CB-CG 4.38Å; H53-M55 WeakPolarHBondContact ND1-CB 3.31Å; H53-M55 WeakPolarHBondContact ND1-CG 3.49Å; H53-M55 PolarHBondContact ND1-N 2.96Å; H53-M55 PolarHBondContact O-N 2.88Å; H53-Y56 HydrophobicContact CB-CD2 4.32Å; H53-Y56 PolarHBondContact O-N 2.83Å; H53-Y56 VanDerWaalsContact O-N 3.15Å; H53-H100 HydrophobicContact CB-CB 3.57Å; H53-H100 AromaticContact CD2-CG 3.87Å; H53-H100 AromaticContact CD2-ND1 3.36Å; H53-H100 PolarHBondContact CD2-ND1 3.27Å; H53-H100 AromaticContact CE1-CG 3.92Å; H53-H100 AromaticContact CE1-ND1 3.82Å; H53-H100 AromaticContact CG-CG 3.73Å; H53-H100 AromaticContact CG-ND1 3.71Å; H53-H100 AromaticContact ND1-CG 3.76Å; H53-H100 AromaticContact ND1-ND1 3.97Å; H53-H100 AromaticContact NE2-CE1 3.77Å; H53-H100 AromaticContact NE2-ND1 3.45Å; H53-H100 PolarHBondContact NE2-ND1 3.05Å
54P95.2Very high97Very high34 Ų3424.5 Ų24.522%0.22113%0.133CC..G310 helixtrans-62.8-14.7-175.223.3-36000114.4Y9 Y10 Y56 G57Y9-P54 HydrophobicContact CD1-CG 3.79Å; Y9-P54 HydrophobicContact CE1-CG 4.39Å; Y9-P54 HydrophobicContact CG-CG 3.86Å; Y10-P54 HydrophobicContact CE2-CB 3.65Å; Y10-P54 HydrophobicContact CE2-CG 3.91Å; Y10-P54 WeakPolarHBondContact OH-CG 3.33Å; P54-Y56 PolarHBondContact O-N 2.79Å; P54-G57 PolarHBondContact O-N 2.94Å
55M93.7Very high97.1Very high110 Ų11031.3 Ų31.354%0.54216%0.159SC..G310 helixtrans-62.8-22.2175.377.2-174.5-7800113.7H53 G57 H100H53-M55 HydrophobicContact CB-CG 4.38Å; H53-M55 WeakPolarHBondContact ND1-CB 3.31Å; H53-M55 WeakPolarHBondContact ND1-CG 3.49Å; H53-M55 PolarHBondContact ND1-N 2.96Å; H53-M55 PolarHBondContact O-N 2.88Å; M55-G57 VanDerWaalsContact C-N 3.35Å; M55-H100 HydrophobicContact CG-CB 4.49Å; M55-H100 HydrophobicContact SD-CB 3.57Å; M55-H100 VanDerWaalsContact SD-CB 3.57Å
56Y93.4Very high97.1Very high63 Ų6331.1 Ų31.125%0.24716%0.156CC..G310 helixtrans-97.811.2176.4-55.2-68.8000112.1H53 P54 H100 G103 L104H53-Y56 HydrophobicContact CB-CD2 4.32Å; H53-Y56 PolarHBondContact O-N 2.83Å; H53-Y56 VanDerWaalsContact O-N 3.15Å; P54-Y56 PolarHBondContact O-N 2.79Å; Y56-H100 HydrophobicContact CE2-CB 4.05Å; Y56-H100 PolarHBondContact OH-O 3.14Å; Y56-G103 VanDerWaalsContact OH-CA 3.24Å; Y56-G103 WeakPolarHBondContact OH-CA 3.38Å; Y56-L104 HydrophobicContact CD1-CB 4.07Å; Y56-L104 HydrophobicContact CD1-CD1 4.45Å; Y56-L104 HydrophobicContact CD2-CB 4.38Å; Y56-L104 HydrophobicContact CD2-CD1 3.7Å; Y56-L104 HydrophobicContact CE1-CB 4.05Å; Y56-L104 HydrophobicContact CE2-CB 4.35Å; Y56-L104 HydrophobicContact CE2-CD1 4.3Å; Y56-L104 HydrophobicContact CG-CB 4.24Å; Y56-L104 HydrophobicContact CG-CD1 3.79Å; Y56-L104 HydrophobicContact CG-CD2 4.42Å; Y56-L104 HydrophobicContact CG-CG 4.38Å
57G93Very high97Very high30 Ų3037.7 Ų37.731%0.30918%0.181SC..  trans82.6-171.6-169.600000112.8S52 P54 M55 L59S52-G57 PolarHBondContact OG-O 3.25Å; P54-G57 PolarHBondContact O-N 2.94Å; M55-G57 VanDerWaalsContact C-N 3.35Å; G57-L59 PolarHBondContact O-N 2.85Å; G57-L59 VanDerWaalsContact O-N 3.08Å
58S94.7Very high97Very high53 Ų5336.4 Ų36.437%0.37118%0.177SC..SBendtrans-82.775.4-178.5-57.10000110.7E74S58-E74 PolarHBondContact O-N 3.26Å
59L97Very high97.1Very high8 Ų835.8 Ų35.84%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-97.2141.3174.5-51.9161.8000111.7S52 G57 I71 W72 Q73 V82 W97 L104S52-L59 PolarHBondContact N-O 3.23Å; S52-L59 VanDerWaalsContact OG-CB 3.26Å; S52-L59 WeakPolarHBondContact OG-CB 3.48Å; S52-L59 PolarHBondContact OG-N 2.95Å; S52-L59 PolarHBondContact OG-O 2.72Å; G57-L59 PolarHBondContact O-N 2.85Å; G57-L59 VanDerWaalsContact O-N 3.08Å; L59-I71 HydrophobicContact CB-CG2 4.41Å; L59-I71 HydrophobicContact CD2-CG2 4.18Å; L59-W72 CarbonylContact C-O 3.49Å; L59-W72 VanDerWaalsContact CA-O 3.27Å; L59-W72 WeakPolarHBondContact CA-O 3.41Å; L59-Q73 HydrophobicContact CD2-CB 3.54Å; L59-Q73 HydrophobicContact CD2-CG 3.48Å; L59-Q73 VanDerWaalsContact CD2-CG 3.48Å; L59-Q73 HydrophobicContact CG-CG 4.47Å; L59-V82 HydrophobicContact CD2-CG2 4.32Å; L59-W97 HydrophobicContact CB-CZ2 4.41Å; L59-L104 HydrophobicContact CD1-CD1 3.88Å; L59-L104 HydrophobicContact CD1-CD2 3.72Å; L59-L104 HydrophobicContact CD1-CG 4.47Å
60L98.4Very high97.1Very high0 Ų035.5 Ų35.50%017%0.172CC..EExtended strand (participates in β ladder)trans-128.8128.4173.8177.369.6000108.7A15 V23 I25 L49 W51 I71 W72 W79A15-L60 HydrophobicContact CB-CD1 3.99Å; A15-L60 HydrophobicContact CB-CD2 3.65Å; V23-L60 HydrophobicContact CG1-CD2 3.83Å; I25-L60 HydrophobicContact CD1-CD2 3.45Å; I25-L60 VanDerWaalsContact CD1-CD2 3.45Å; L49-L60 HydrophobicContact CB-CD1 4.24Å; L49-L60 HydrophobicContact CD2-CD1 4.34Å; L49-L60 HydrophobicContact CD2-CD2 4.32Å; L49-L60 HydrophobicContact CD2-CG 4.44Å; W51-L60 HydrophobicContact CD2-CB 4.5Å; W51-L60 HydrophobicContact CD2-CD1 3.79Å; W51-L60 HydrophobicContact CE3-CB 4.13Å; W51-L60 HydrophobicContact CE3-CD1 4.27Å; W51-L60 HydrophobicContact CG-CD1 4.05Å; W51-L60 HydrophobicContact CH2-CB 4.44Å; W51-L60 HydrophobicContact CZ2-CD1 4.3Å; W51-L60 HydrophobicContact CZ2-CD2 4.48Å; W51-L60 HydrophobicContact CZ3-CB 4.12Å; L60-I71 WeakPolarHBondContact O-CA 3.47Å; L60-W72 HydrophobicContact CB-CB 4.37Å; L60-W72 PolarHBondContact N-O 3.02Å; L60-W72 VanDerWaalsContact O-CD1 3.31Å; L60-W72 PolarHBondContact O-N 2.81Å; L60-W79 HydrophobicContact CB-CZ3 4.25Å
61A98.6Very high97.1Very high0 Ų035 Ų350%017%0.169CC..EExtended strand (participates in β ladder)trans-95.5139.9168.600000109.8L49 S50 I70 V95 W97 L106L49-A61 WeakPolarHBondContact CA-O 3.42Å; S50-A61 PolarHBondContact N-O 2.89Å; S50-A61 PolarHBondContact O-N 3.42Å; A61-I70 CarbonylContact C-O 3.18Å; A61-I70 WeakPolarHBondContact CA-O 3.46Å; A61-V95 HydrophobicContact CB-CG2 4.27Å; A61-W97 HydrophobicContact CB-CZ2 3.96Å; A61-L106 HydrophobicContact CB-CD1 3.79Å; A61-L106 HydrophobicContact CB-CD2 3.6Å; A61-L106 HydrophobicContact CB-CG 4.4Å
62S98.7Very high97Very high0 Ų034.4 Ų34.40%017%0.166CC..EExtended strand (participates in β ladder)trans-131.3145.7169.865.90000110.9H42 V69 I70 W72H42-S62 PolarHBondContact NE2-OG 2.67Å; S62-V69 CarbonylContact O-C 3.57Å; S62-V69 WeakPolarHBondContact O-CA 3.13Å; S62-I70 PolarHBondContact N-O 3.23Å; S62-I70 PolarHBondContact O-N 3.14Å; S62-W72 PolarHBondContact OG-NE1 2.77Å
63C98.6Very high97Very high0 Ų036.5 Ų36.50%018%0.175CC..EExtended strand (participates in β ladder)trans-134.8154.8174.572.40000112V46 W47 S48 K68 V69 V92 V95V46-C63 VanDerWaalsContact CG1-O 3.28Å; V46-C63 WeakPolarHBondContact CG1-O 3.39Å; W47-C63 PolarHBondContact N-O 2.87Å; S48-C63 PolarHBondContact O-N 3.45Å; C63-K68 WeakPolarHBondContact CA-O 3.3Å; C63-V69 HydrophobicContact CB-CG2 4.05Å; C63-V92 HydrophobicContact CB-CB 3.85Å; C63-V92 HydrophobicContact CB-CG1 3.59Å; C63-V92 PolarHBondContact SG-O 3.14Å; C63-V95 HydrophobicContact CB-CG1 3.55Å; C63-V95 HydrophobicContact CB-CG2 4.24Å
64G98Very high97Very high0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-152.4179.8-173.100000115.8P45 D66 R67 K68 V92P45-G64 CarbonylContact O-C 3.56Å; P45-G64 WeakPolarHBondContact O-CA 3.45Å; G64-D66 PolarHBondContact O-N 3.29Å; G64-R67 PolarHBondContact O-N 3.09Å; G64-K68 PolarHBondContact N-O 2.9Å; G64-V92 PolarHBondContact O-N 2.84Å
65Y98.3Very high97Very high146 Ų14639.8 Ų39.857%0.57319%0.189SC*.THydrogen-bonded Turntrans-64.3-22.1177.4-172.3-104.3000113.2P45 W47 R67P45-Y65 PolarHBondContact O-N 2.96Å; W47-Y65 HydrophobicContact CZ2-CD2 4.07Å; W47-Y65 HydrophobicContact CZ2-CG 4.31Å; W47-Y65 VanDerWaalsContact NE1-N 3.17Å; Y65-R67 PolarHBondContact O-N 2.92Å; Y65-R67 VanDerWaalsContact O-N 3.14Å
66D98Very high97Very high24 Ų2441.9 Ų41.913%0.12820%0.203CC..THydrogen-bonded Turntrans-74.17.6176.766.9-13.6000114H42 Q43 G64 K68H42-D66 WeakPolarHBondContact CA-OD2 3.36Å; H42-D66 WeakPolarHBondContact CB-OD2 3.47Å; H42-D66 IonicContact CE1-OD1 3.25Å; H42-D66 IonicContact CG-OD2 3.49Å; H42-D66 VanDerWaalsContact ND1-CG 3.29Å; H42-D66 IonicContact ND1-OD1 2.68Å; H42-D66 PolarHBondContact ND1-OD1 2.68Å; H42-D66 IonicContact ND1-OD2 2.97Å; H42-D66 PolarHBondContact ND1-OD2 3.05Å; Q43-D66 HydrophobicContact CB-CB 4.08Å; Q43-D66 PolarHBondContact N-OD2 3.39Å; G64-D66 PolarHBondContact O-N 3.29Å; D66-K68 PolarHBondContact O-N 2.81Å; D66-K68 PolarHBondContact OD1-N 2.9Å
67R98.3Very high96.9Very high138 Ų13841.8 Ų41.852%0.52122%0.221SC..SBendtrans71.29.6174.4-38.6167.6-148.6-165.38.6113.1G64 Y65 A89 S90G64-R67 PolarHBondContact O-N 3.09Å; Y65-R67 PolarHBondContact O-N 2.92Å; Y65-R67 VanDerWaalsContact O-N 3.14Å; R67-A89 PolarHBondContact NH1-O 2.94Å; R67-S90 WeakPolarHBondContact CB-O 3.16Å; R67-S90 WeakPolarHBondContact CG-O 3.32Å
68K98.1Very high97Very high49 Ų4950.2 Ų50.221%0.21324%0.244CC..  trans-101.1147.3-178-62.3-173.2177-160.20111.3C63 G64 D66 I70 E84 Y85C63-K68 WeakPolarHBondContact CA-O 3.3Å; G64-K68 PolarHBondContact N-O 2.9Å; D66-K68 PolarHBondContact O-N 2.81Å; D66-K68 PolarHBondContact OD1-N 2.9Å; K68-I70 HydrophobicContact CB-CG1 4.39Å; K68-E84 HydrophobicContact CD-CG 4.37Å; K68-E84 WeakPolarHBondContact CD-OE1 3.39Å; K68-E84 VanDerWaalsContact CE-OE1 3.24Å; K68-E84 WeakPolarHBondContact CE-OE1 3.49Å; K68-E84 IonicContact NZ-OE1 3.65Å; K68-E84 PolarHBondContact NZ-OE1 3.14Å; K68-E84 IonicContact NZ-OE2 2.64Å; K68-Y85 CarbonylContact C-O 3.57Å; K68-Y85 WeakPolarHBondContact CA-O 3.42Å
69V98.6Very high97.1Very high0 Ų049.7 Ų49.70%023%0.234CC..EExtended strand (participates in β ladder)trans-114.7126.9161.1-178.50000107.3S62 C63 E84 Y85 V92 V95 L106 C108 L118S62-V69 CarbonylContact O-C 3.57Å; S62-V69 WeakPolarHBondContact O-CA 3.13Å; C63-V69 HydrophobicContact CB-CG2 4.05Å; V69-E84 WeakPolarHBondContact O-CA 3.43Å; V69-Y85 PolarHBondContact N-O 3.12Å; V69-Y85 PolarHBondContact O-N 3.42Å; V69-V92 HydrophobicContact CG2-CB 4.3Å; V69-V92 HydrophobicContact CG2-CG1 3.79Å; V69-V92 HydrophobicContact CG2-CG2 4.19Å; V69-V95 HydrophobicContact CG1-CG1 4.01Å; V69-V95 HydrophobicContact CG2-CG1 4.2Å; V69-L106 HydrophobicContact CG1-CD2 3.82Å; V69-C108 HydrophobicContact CG2-CB 4.13Å; V69-L118 HydrophobicContact CG1-CD1 4.38Å
70I98.4Very high97.1Very high0 Ų050.8 Ų50.80%025%0.247CC..EExtended strand (participates in β ladder)trans-119.1132-178.6-55.4-178.8000108.6D41 A61 S62 K68 W72 K81 E84D41-I70 HydrophobicContact CB-CD1 3.85Å; A61-I70 CarbonylContact C-O 3.18Å; A61-I70 WeakPolarHBondContact CA-O 3.46Å; S62-I70 PolarHBondContact N-O 3.23Å; S62-I70 PolarHBondContact O-N 3.14Å; K68-I70 HydrophobicContact CB-CG1 4.39Å; I70-W72 HydrophobicContact CB-CZ2 4.05Å; I70-W72 HydrophobicContact CD1-CZ2 4.03Å; I70-W72 HydrophobicContact CG2-CD2 3.87Å; I70-W72 HydrophobicContact CG2-CE3 4.34Å; I70-W72 HydrophobicContact CG2-CG 4.46Å; I70-W72 HydrophobicContact CG2-CH2 4.04Å; I70-W72 HydrophobicContact CG2-CZ2 3.5Å; I70-W72 HydrophobicContact CG2-CZ3 4.42Å; I70-K81 HydrophobicContact CG2-CB 4.33Å; I70-K81 HydrophobicContact CG2-CD 3.54Å; I70-K81 HydrophobicContact CG2-CG 3.62Å; I70-E84 HydrophobicContact CG1-CG 4.49Å
71I98.2Very high97Very high0 Ų054.9 Ų54.90%026%0.264CS..EExtended strand (participates in β ladder)trans-105.3123.7172.3-53.1-180000108.1L59 L60 V82 F83 W97 W126L59-I71 HydrophobicContact CB-CG2 4.41Å; L59-I71 HydrophobicContact CD2-CG2 4.18Å; L60-I71 WeakPolarHBondContact O-CA 3.47Å; I71-V82 HydrophobicContact CB-CG2 4.13Å; I71-V82 HydrophobicContact CG2-CG2 3.8Å; I71-V82 WeakPolarHBondContact O-CG2 3.28Å; I71-V82 PolarHBondContact O-N 2.95Å; I71-F83 HydrophobicContact CB-CB 4.11Å; I71-F83 HydrophobicContact CD1-CB 4.21Å; I71-F83 HydrophobicContact CD1-CD1 3.7Å; I71-F83 HydrophobicContact CD1-CG 4.39Å; I71-F83 HydrophobicContact CG1-CB 4.35Å; I71-F83 HydrophobicContact CG1-CD1 4.17Å; I71-F83 PolarHBondContact N-O 3.38Å; I71-F83 PolarHBondContact O-N 2.79Å; I71-W97 HydrophobicContact CD1-CH2 4Å; I71-W97 HydrophobicContact CD1-CZ2 4.47Å; I71-W97 HydrophobicContact CG2-CH2 4.41Å; I71-W97 HydrophobicContact CG2-CZ2 4.27Å; I71-W126 HydrophobicContact CD1-CD2 4.21Å; I71-W126 HydrophobicContact CD1-CE3 4.08Å; I71-W126 HydrophobicContact CD1-CH2 3.3Å; I71-W126 HydrophobicContact CD1-CZ2 3.41Å; I71-W126 VanDerWaalsContact CD1-CZ2 3.41Å; I71-W126 HydrophobicContact CD1-CZ3 3.64Å
72W98Very high96.9Very high11 Ų1158 Ų584%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-105.5142.3178.7-48.992.9000109.3L39 D41 L59 L60 S62 I70 W79 G80 K81L39-W72 HydrophobicContact CB-CD2 4.29Å; L39-W72 HydrophobicContact CB-CE3 4.12Å; L39-W72 HydrophobicContact CB-CH2 3.75Å; L39-W72 HydrophobicContact CB-CZ2 3.96Å; L39-W72 HydrophobicContact CB-CZ3 3.85Å; L39-W72 HydrophobicContact CD1-CB 4.15Å; L39-W72 HydrophobicContact CD1-CD2 3.64Å; L39-W72 HydrophobicContact CD1-CE3 3.87Å; L39-W72 HydrophobicContact CD1-CG 3.76Å; L39-W72 HydrophobicContact CD1-CZ3 4.47Å; L39-W72 HydrophobicContact CD2-CE3 4.13Å; L39-W72 HydrophobicContact CD2-CZ3 4.27Å; L39-W72 HydrophobicContact CG-CD2 4.41Å; L39-W72 HydrophobicContact CG-CE3 4.25Å; L39-W72 HydrophobicContact CG-CZ3 4.41Å; D41-W72 HydrophobicContact CB-CH2 3.55Å; D41-W72 HydrophobicContact CB-CZ2 4.21Å; L59-W72 CarbonylContact C-O 3.49Å; L59-W72 VanDerWaalsContact CA-O 3.27Å; L59-W72 WeakPolarHBondContact CA-O 3.41Å; L60-W72 HydrophobicContact CB-CB 4.37Å; L60-W72 PolarHBondContact N-O 3.02Å; L60-W72 VanDerWaalsContact O-CD1 3.31Å; L60-W72 PolarHBondContact O-N 2.81Å; S62-W72 PolarHBondContact OG-NE1 2.77Å; I70-W72 HydrophobicContact CB-CZ2 4.05Å; I70-W72 HydrophobicContact CD1-CZ2 4.03Å; I70-W72 HydrophobicContact CG2-CD2 3.87Å; I70-W72 HydrophobicContact CG2-CE3 4.34Å; I70-W72 HydrophobicContact CG2-CG 4.46Å; I70-W72 HydrophobicContact CG2-CH2 4.04Å; I70-W72 HydrophobicContact CG2-CZ2 3.5Å; I70-W72 HydrophobicContact CG2-CZ3 4.42Å; W72-W79 HydrophobicContact CB-CE3 4.05Å; W72-W79 HydrophobicContact CB-CZ3 4.16Å; W72-G80 CarbonylContact C-O 3.55Å; W72-G80 VanDerWaalsContact CA-O 3.31Å; W72-G80 WeakPolarHBondContact CA-O 3.45Å; W72-K81 HydrophobicContact CE3-CB 4.01Å; W72-K81 HydrophobicContact CZ3-CB 3.9Å
73Q96.7Very high96.8Very high52 Ų5260.3 Ų60.324%0.24329%0.294CS..EExtended strand (participates in β ladder)trans-129.6143172.5-165.9170.126.300109.9L59 I75 W79 G80 V82L59-Q73 HydrophobicContact CD2-CB 3.54Å; L59-Q73 HydrophobicContact CD2-CG 3.48Å; L59-Q73 VanDerWaalsContact CD2-CG 3.48Å; L59-Q73 HydrophobicContact CG-CG 4.47Å; Q73-I75 HydrophobicContact CG-CD1 4.46Å; Q73-I75 HydrophobicContact CG-CG1 3.97Å; Q73-W79 WeakPolarHBondContact O-CA 3.42Å; Q73-G80 PolarHBondContact N-O 3.44Å; Q73-G80 PolarHBondContact O-N 2.93Å; Q73-V82 HydrophobicContact CB-CB 4.45Å; Q73-V82 HydrophobicContact CB-CG1 3.51Å; Q73-V82 HydrophobicContact CB-CG2 4.08Å
74E96.3Very high96.7Very high58 Ų5863.2 Ų63.227%0.27131%0.307SS..EExtended strand (participates in β ladder)trans-94.1124.3166-176-89.2141.500110S58 G77 R78 W79S58-E74 PolarHBondContact O-N 3.26Å; E74-G77 WeakPolarHBondContact OE1-CA 3.32Å; E74-G77 PolarHBondContact OE1-N 2.82Å; E74-R78 WeakPolarHBondContact CA-O 3.42Å; E74-W79 HydrophobicContact CB-CD2 3.8Å; E74-W79 HydrophobicContact CB-CE3 4.08Å; E74-W79 HydrophobicContact CB-CG 4.33Å; E74-W79 HydrophobicContact CB-CH2 3.9Å; E74-W79 HydrophobicContact CB-CZ2 3.66Å; E74-W79 HydrophobicContact CB-CZ3 4.13Å; E74-W79 HydrophobicContact CG-CD2 4.38Å; E74-W79 HydrophobicContact CG-CZ2 4.24Å
75I94.6Very high96.7Very high93 Ų9364 Ų6448%0.47731%0.311SS..EExtended strand (participates in β ladder)trans-130.5116.5176.8-55.3176000107.4Q73 G77 R78Q73-I75 HydrophobicContact CG-CD1 4.46Å; Q73-I75 HydrophobicContact CG-CG1 3.97Å; I75-G77 PolarHBondContact O-N 2.8Å; I75-R78 PolarHBondContact N-O 2.93Å; I75-R78 PolarHBondContact O-N 2.88Å; I75-R78 VanDerWaalsContact O-N 3.13Å
76N93.1Very high96.6Very high155 Ų15560 Ų6083%0.82930%0.304SS*.THydrogen-bonded Turntrans54.945.3177.2-58.7-40.9000114.1R78N76-R78 VanDerWaalsContact C-N 3.27Å; N76-R78 PolarHBondContact O-N 3.39Å
77G91.2Very high96.6Very high61 Ų6164.8 Ų64.863%0.62933%0.325SS*.THydrogen-bonded Turntrans78.43.6-179.800000114.5E74 I75E74-G77 WeakPolarHBondContact OE1-CA 3.32Å; E74-G77 PolarHBondContact OE1-N 2.82Å; I75-G77 PolarHBondContact O-N 2.8Å
78R95.2Very high96.5Very high206 Ų20658.5 Ų58.578%0.77730%0.302SS*.EExtended strand (participates in β ladder)trans-117.2126.5-177.1-63.6-175.1-178-174.61110.7E74 I75 N76E74-R78 WeakPolarHBondContact CA-O 3.42Å; I75-R78 PolarHBondContact N-O 2.93Å; I75-R78 PolarHBondContact O-N 2.88Å; I75-R78 VanDerWaalsContact O-N 3.13Å; N76-R78 VanDerWaalsContact C-N 3.27Å; N76-R78 PolarHBondContact O-N 3.39Å
79W97.1Very high96.5Very high43 Ų4359.5 Ų59.516%0.16332%0.319CS..EExtended strand (participates in β ladder)trans-85.4134.3174.9-73.985.5000111.2I25 A37 L39 W51 L60 W72 Q73 E74I25-W79 HydrophobicContact CG1-CD2 4.3Å; I25-W79 HydrophobicContact CG1-CZ2 4.48Å; I25-W79 HydrophobicContact CG2-CZ2 3.98Å; A37-W79 HydrophobicContact CB-CB 3.92Å; A37-W79 HydrophobicContact CB-CG 3.66Å; L39-W79 HydrophobicContact CD1-CE3 4.41Å; L39-W79 HydrophobicContact CD2-CB 3.67Å; L39-W79 HydrophobicContact CD2-CG 4.45Å; W51-W79 AromaticContact CH2-CH2 3.46Å; W51-W79 HydrophobicContact CH2-CH2 3.46Å; W51-W79 VanDerWaalsContact CH2-CH2 3.46Å; W51-W79 AromaticContact CH2-CZ2 3.85Å; W51-W79 HydrophobicContact CH2-CZ2 3.85Å; W51-W79 HydrophobicContact CH2-CZ3 4.47Å; W51-W79 AromaticContact CZ3-CH2 3.53Å; W51-W79 HydrophobicContact CZ3-CH2 3.53Å; W51-W79 HydrophobicContact CZ3-CZ2 4.26Å; W51-W79 HydrophobicContact CZ3-CZ3 4.45Å; L60-W79 HydrophobicContact CB-CZ3 4.25Å; W72-W79 HydrophobicContact CB-CE3 4.05Å; W72-W79 HydrophobicContact CB-CZ3 4.16Å; Q73-W79 WeakPolarHBondContact O-CA 3.42Å; E74-W79 HydrophobicContact CB-CD2 3.8Å; E74-W79 HydrophobicContact CB-CE3 4.08Å; E74-W79 HydrophobicContact CB-CG 4.33Å; E74-W79 HydrophobicContact CB-CH2 3.9Å; E74-W79 HydrophobicContact CB-CZ2 3.66Å; E74-W79 HydrophobicContact CB-CZ3 4.13Å; E74-W79 HydrophobicContact CG-CD2 4.38Å; E74-W79 HydrophobicContact CG-CZ2 4.24Å
80G96.6Very high96.4Very high31 Ų3161.6 Ų61.632%0.3233%0.334SS..EExtended strand (participates in β ladder)trans-146.7158.6176.100000112.3W72 Q73W72-G80 CarbonylContact C-O 3.55Å; W72-G80 VanDerWaalsContact CA-O 3.31Å; W72-G80 WeakPolarHBondContact CA-O 3.45Å; Q73-G80 PolarHBondContact N-O 3.44Å; Q73-G80 PolarHBondContact O-N 2.93Å
81K96.6Very high96.4Very high85 Ų8562 Ų6237%0.3734%0.336SS..EExtended strand (participates in β ladder)trans-76.7125.4171.3177.8169.174.7-177.80109.2D41 I70 W72 E84D41-K81 IonicContact OD1-NZ 3.77Å; D41-K81 PolarHBondContact OD1-NZ 2.92Å; D41-K81 VanDerWaalsContact OD1-NZ 3.12Å; D41-K81 WeakPolarHBondContact OD2-CE 3.2Å; D41-K81 IonicContact OD2-NZ 2.69Å; D41-K81 PolarHBondContact OD2-NZ 3.39Å; I70-K81 HydrophobicContact CG2-CB 4.33Å; I70-K81 HydrophobicContact CG2-CD 3.54Å; I70-K81 HydrophobicContact CG2-CG 3.62Å; W72-K81 HydrophobicContact CE3-CB 4.01Å; W72-K81 HydrophobicContact CZ3-CB 3.9Å; K81-E84 HydrophobicContact CD-CB 4.29Å; K81-E84 IonicContact NZ-OE2 3.59Å; K81-E84 PolarHBondContact NZ-OE2 2.8Å
82V95.5Very high96.4Very high67 Ų6762 Ų6241%0.40634%0.336SS..EExtended strand (participates in β ladder)trans-108.6-25.3178.5-65.20000112.9L59 I71 Q73L59-V82 HydrophobicContact CD2-CG2 4.32Å; I71-V82 HydrophobicContact CB-CG2 4.13Å; I71-V82 HydrophobicContact CG2-CG2 3.8Å; I71-V82 WeakPolarHBondContact O-CG2 3.28Å; I71-V82 PolarHBondContact O-N 2.95Å; Q73-V82 HydrophobicContact CB-CB 4.45Å; Q73-V82 HydrophobicContact CB-CG1 3.51Å; Q73-V82 HydrophobicContact CB-CG2 4.08Å
83F96.6Very high96.5Very high47 Ų4762.9 Ų62.921%0.20634%0.342CS..EExtended strand (participates in β ladder)trans-150.8148.6177.3-177.6-111000111I71 L118 W126I71-F83 HydrophobicContact CB-CB 4.11Å; I71-F83 HydrophobicContact CD1-CB 4.21Å; I71-F83 HydrophobicContact CD1-CD1 3.7Å; I71-F83 HydrophobicContact CD1-CG 4.39Å; I71-F83 HydrophobicContact CG1-CB 4.35Å; I71-F83 HydrophobicContact CG1-CD1 4.17Å; I71-F83 PolarHBondContact N-O 3.38Å; I71-F83 PolarHBondContact O-N 2.79Å; F83-L118 HydrophobicContact CE1-CD1 4.11Å; F83-W126 HydrophobicContact CB-CG 4.45Å; F83-W126 HydrophobicContact CD1-CB 4.31Å; F83-W126 AromaticContact CD1-CD2 3.88Å; F83-W126 HydrophobicContact CD1-CD2 3.88Å; F83-W126 HydrophobicContact CD1-CE3 4.36Å; F83-W126 AromaticContact CD1-CG 3.84Å; F83-W126 HydrophobicContact CD1-CG 3.84Å; F83-W126 HydrophobicContact CD2-CB 3.87Å; F83-W126 AromaticContact CD2-CD1 3.44Å; F83-W126 VanDerWaalsContact CD2-CD1 3.44Å; F83-W126 HydrophobicContact CD2-CD2 4.46Å; F83-W126 AromaticContact CD2-CG 3.64Å; F83-W126 HydrophobicContact CD2-CG 3.64Å; F83-W126 HydrophobicContact CE1-CB 3.87Å; F83-W126 HydrophobicContact CE1-CD2 4.1Å; F83-W126 HydrophobicContact CE1-CE3 4.37Å; F83-W126 AromaticContact CE1-CG 3.89Å; F83-W126 HydrophobicContact CE1-CG 3.89Å; F83-W126 HydrophobicContact CE2-CB 3.42Å; F83-W126 VanDerWaalsContact CE2-CB 3.42Å; F83-W126 AromaticContact CE2-CD1 3.95Å; F83-W126 AromaticContact CE2-CG 3.74Å; F83-W126 HydrophobicContact CE2-CG 3.74Å; F83-W126 HydrophobicContact CG-CB 4.3Å; F83-W126 AromaticContact CG-CD1 3.56Å; F83-W126 HydrophobicContact CG-CD2 4.06Å; F83-W126 AromaticContact CG-CG 3.7Å; F83-W126 HydrophobicContact CG-CG 3.7Å; F83-W126 AromaticContact CG-NE1 3.82Å; F83-W126 HydrophobicContact CZ-CB 3.41Å; F83-W126 VanDerWaalsContact CZ-CB 3.41Å; F83-W126 AromaticContact CZ-CG 3.85Å; F83-W126 HydrophobicContact CZ-CG 3.85Å
84E97.4Very high96.6Very high61 Ų6161.1 Ų61.129%0.28534%0.336SS..EExtended strand (participates in β ladder)trans-136.4133.7175.7-178.3176.3138.100108.8K68 V69 I70 K81K68-E84 HydrophobicContact CD-CG 4.37Å; K68-E84 WeakPolarHBondContact CD-OE1 3.39Å; K68-E84 VanDerWaalsContact CE-OE1 3.24Å; K68-E84 WeakPolarHBondContact CE-OE1 3.49Å; K68-E84 IonicContact NZ-OE1 3.65Å; K68-E84 PolarHBondContact NZ-OE1 3.14Å; K68-E84 IonicContact NZ-OE2 2.64Å; V69-E84 WeakPolarHBondContact O-CA 3.43Å; I70-E84 HydrophobicContact CG1-CG 4.49Å; K81-E84 HydrophobicContact CD-CB 4.29Å; K81-E84 IonicContact NZ-OE2 3.59Å; K81-E84 PolarHBondContact NZ-OE2 2.8Å
85Y97.9Very high96.7Very high18 Ų1858.6 Ų58.67%0.07132%0.324CS..EExtended strand (participates in β ladder)trans-126.2124.8176.6179.2-106.4000110K68 V69 E87 H88 S116 L118 A128K68-Y85 CarbonylContact C-O 3.57Å; K68-Y85 WeakPolarHBondContact CA-O 3.42Å; V69-Y85 PolarHBondContact N-O 3.12Å; V69-Y85 PolarHBondContact O-N 3.42Å; Y85-E87 HydrophobicContact CD2-CG 4.08Å; Y85-E87 HydrophobicContact CE1-CB 4.26Å; Y85-E87 HydrophobicContact CE2-CB 3.74Å; Y85-E87 HydrophobicContact CE2-CG 3.5Å; Y85-E87 VanDerWaalsContact CE2-CG 3.5Å; Y85-H88 AromaticContact CE1-CD2 3.7Å; Y85-H88 AromaticContact CE1-NE2 3.89Å; Y85-S116 WeakPolarHBondContact CE1-OG 3.39Å; Y85-S116 PolarHBondContact OH-OG 2.97Å; Y85-L118 HydrophobicContact CD1-CD1 4.2Å; Y85-L118 HydrophobicContact CD1-CD2 3.99Å; Y85-L118 HydrophobicContact CD2-CD2 3.76Å; Y85-L118 HydrophobicContact CE1-CD2 4.05Å; Y85-L118 HydrophobicContact CE2-CD2 3.84Å; Y85-L118 HydrophobicContact CG-CD1 4.1Å; Y85-L118 HydrophobicContact CG-CD2 3.82Å; Y85-A128 HydrophobicContact CD2-CB 4.35Å; Y85-A128 HydrophobicContact CE2-CB 3.53Å
86S97.1Very high96.8Very high62 Ų6255.4 Ų55.443%0.43431%0.31SS..  trans-136.330.2-171.1610000113.7
87E96.6Very high97.1Very high124 Ų12449.2 Ų49.258%0.57928%0.275SS*.  trans-88.8-2.8-177.3-60.2-59.8130.300113.9Y85 R130Y85-E87 HydrophobicContact CD2-CG 4.08Å; Y85-E87 HydrophobicContact CE1-CB 4.26Å; Y85-E87 HydrophobicContact CE2-CB 3.74Å; Y85-E87 HydrophobicContact CE2-CG 3.5Å; Y85-E87 VanDerWaalsContact CE2-CG 3.5Å; E87-R130 PolarHBondContact O-NH1 3.3Å
88H97.2Very high97.3Very high6 Ų646.9 Ų46.93%0.02825%0.249CC..  trans-78139.2174.7-79.7-67.3000111.3Y85 S90 V92 S110 D112 T114 S116Y85-H88 AromaticContact CE1-CD2 3.7Å; Y85-H88 AromaticContact CE1-NE2 3.89Å; H88-S90 VanDerWaalsContact C-N 3.33Å; H88-V92 HydrophobicContact CB-CG2 3.89Å; H88-S110 WeakPolarHBondContact ND1-CB 3.18Å; H88-D112 WeakPolarHBondContact CA-OD2 3.36Å; H88-D112 IonicContact CG-OD2 2.74Å; H88-D112 IonicContact ND1-OD1 3.27Å; H88-D112 PolarHBondContact ND1-OD1 2.91Å; H88-D112 IonicContact ND1-OD2 3.04Å; H88-D112 PolarHBondContact ND1-OD2 2.78Å; H88-T114 PolarHBondContact CE1-OG1 2.82Å; H88-T114 VanDerWaalsContact CE1-OG1 3.28Å; H88-T114 PolarHBondContact ND1-OG1 2.83Å; H88-S116 PolarHBondContact CE1-OG 3.38Å; H88-S116 WeakPolarHBondContact NE2-CB 3.46Å; H88-S116 PolarHBondContact NE2-OG 2.81Å
89A97.2Very high97.2Very high69 Ų6938.4 Ų38.457%0.5722%0.221SC*.SBendtrans-82.5-15-177.400000112.7R67 D112R67-A89 PolarHBondContact NH1-O 2.94Å; A89-D112 HydrophobicContact CB-CB 4.02Å; A89-D112 PolarHBondContact N-OD2 3.16Å
90S97.8Very high97Very high45 Ų4540.4 Ų40.432%0.31523%0.232SC..SBendtrans-142-180-175.6-163.20000111.5R67 H88 S110 S111R67-S90 WeakPolarHBondContact CB-O 3.16Å; R67-S90 WeakPolarHBondContact CG-O 3.32Å; H88-S90 VanDerWaalsContact C-N 3.33Å; S90-S110 PolarHBondContact O-OG 2.83Å; S90-S111 WeakPolarHBondContact OG-CB 3.49Å
91S98.1Very high96.6Very high7 Ų741.8 Ų41.85%0.04924%0.237CC..  trans-47.6137.3179.1178.80000111.7W47 N93 S110 S111W47-S91 PolarHBondContact NE1-OG 2.88Å; S91-N93 PolarHBondContact OG-OD1 2.77Å; S91-S110 CarbonylContact O-C 3.51Å; S91-S110 VanDerWaalsContact O-CA 3.31Å; S91-S110 WeakPolarHBondContact O-CA 3.47Å; S91-S110 PolarHBondContact O-OG 2.89Å; S91-S111 PolarHBondContact O-N 2.91Å
92V98.6Very high96.3Very high0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-99.8110.3172.5-175.20000107.9C63 G64 V69 H88 V95 C108 A109C63-V92 HydrophobicContact CB-CB 3.85Å; C63-V92 HydrophobicContact CB-CG1 3.59Å; C63-V92 PolarHBondContact SG-O 3.14Å; G64-V92 PolarHBondContact O-N 2.84Å; V69-V92 HydrophobicContact CG2-CB 4.3Å; V69-V92 HydrophobicContact CG2-CG1 3.79Å; V69-V92 HydrophobicContact CG2-CG2 4.19Å; H88-V92 HydrophobicContact CB-CG2 3.89Å; V92-V95 HydrophobicContact CG1-CG1 4.47Å; V92-C108 HydrophobicContact CG1-CB 4.13Å; V92-A109 CarbonylContact C-O 3.55Å; V92-A109 WeakPolarHBondContact CA-O 3.15Å; V92-A109 WeakPolarHBondContact CG1-O 3.45Å
93N98.5Very high96.1Very high30 Ų3036.6 Ų36.616%0.1622%0.216CC..EExtended strand (participates in β ladder)trans-88.5-31.2-164.7-58-35.1000113S91 A109 S111 V139 N140S91-N93 PolarHBondContact OG-OD1 2.77Å; N93-A109 PolarHBondContact N-O 2.8Å; N93-S111 PolarHBondContact ND2-N 2.86Å; N93-S111 PolarHBondContact ND2-OG 2.69Å; N93-S111 PolarHBondContact OD1-OG 2.74Å; N93-V139 PolarHBondContact ND2-O 2.85Å; N93-N140 WeakPolarHBondContact CB-O 3.47Å
94C98.5Very high96Very high16 Ų1635.2 Ų35.211%0.10821%0.211CC..EExtended strand (participates in β ladder)trans-145.4144.1-177.6-176.70000111.4A109 N140 V142C94-A109 HydrophobicContact CB-CB 4.22Å; C94-A109 PolarHBondContact N-O 2.89Å; C94-A109 PolarHBondContact O-N 2.83Å; C94-N140 WeakPolarHBondContact CB-O 3.22Å; C94-V142 HydrophobicContact CB-CG1 4.32Å
95V98.5Very high95.9Very high4 Ų432.5 Ų32.52%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-129.1140.7169.8-76.30000110.3S48 S50 A61 C63 V69 V92 L106 A107 C108S48-V95 PolarHBondContact OG-N 3.35Å; S50-V95 WeakPolarHBondContact CB-O 3.39Å; A61-V95 HydrophobicContact CB-CG2 4.27Å; C63-V95 HydrophobicContact CB-CG1 3.55Å; C63-V95 HydrophobicContact CB-CG2 4.24Å; V69-V95 HydrophobicContact CG1-CG1 4.01Å; V69-V95 HydrophobicContact CG2-CG1 4.2Å; V92-V95 HydrophobicContact CG1-CG1 4.47Å; V95-L106 HydrophobicContact CB-CD1 4.24Å; V95-L106 HydrophobicContact CG1-CD2 4.37Å; V95-A107 VanDerWaalsContact CA-O 3.29Å; V95-A107 WeakPolarHBondContact CA-O 3.43Å; V95-C108 HydrophobicContact CG1-CB 4.23Å
96C98.2Very high96Very high27 Ų2731.6 Ų31.618%0.18219%0.194CC..EExtended strand (participates in β ladder)trans-143.6123.9180-165.30000110.5A107 V142 W144C96-A107 PolarHBondContact N-O 3.31Å; C96-A107 PolarHBondContact O-N 3.01Å; C96-V142 HydrophobicContact CB-CG1 4.25Å; C96-W144 VanDerWaalsContact O-CD1 3.32Å; C96-W144 PolarHBondContact O-NE1 3.37Å
97W98Very high96Very high24 Ų2428.7 Ų28.79%0.09117%0.174CC..EExtended strand (participates in β ladder)trans-71.1138.4171.9-72.5103.1000111.2S50 L59 A61 I71 L104 M105 L106 W126 W144S50-W97 VanDerWaalsContact CB-CD1 3.43Å; S50-W97 PolarHBondContact O-NE1 3.07Å; S50-W97 VanDerWaalsContact OG-CD1 3.31Å; S50-W97 PolarHBondContact OG-N 3.42Å; S50-W97 VanDerWaalsContact OG-N 3.16Å; L59-W97 HydrophobicContact CB-CZ2 4.41Å; A61-W97 HydrophobicContact CB-CZ2 3.96Å; I71-W97 HydrophobicContact CD1-CH2 4Å; I71-W97 HydrophobicContact CD1-CZ2 4.47Å; I71-W97 HydrophobicContact CG2-CH2 4.41Å; I71-W97 HydrophobicContact CG2-CZ2 4.27Å; W97-L104 HydrophobicContact CE3-CD1 3.8Å; W97-L104 HydrophobicContact CH2-CD1 3.79Å; W97-L104 HydrophobicContact CH2-CG 4.3Å; W97-L104 HydrophobicContact CZ3-CD1 3.26Å; W97-L104 HydrophobicContact CZ3-CG 3.77Å; W97-M105 VanDerWaalsContact CE3-O 3.28Å; W97-L106 HydrophobicContact CB-CD1 4.44Å; W97-L106 HydrophobicContact CD2-CB 4.34Å; W97-L106 HydrophobicContact CD2-CD1 3.57Å; W97-L106 HydrophobicContact CE3-CB 3.89Å; W97-L106 HydrophobicContact CE3-CD1 4Å; W97-L106 HydrophobicContact CG-CD1 3.76Å; W97-L106 HydrophobicContact CH2-CB 4.31Å; W97-L106 HydrophobicContact CZ2-CD1 4.26Å; W97-L106 HydrophobicContact CZ3-CB 3.85Å; W97-L106 HydrophobicContact CZ3-CD1 4.48Å; W97-W126 AromaticContact CH2-CH2 3.68Å; W97-W126 HydrophobicContact CH2-CH2 3.68Å; W97-W126 HydrophobicContact CH2-CZ3 4.39Å; W97-W126 AromaticContact CZ3-CH2 3.93Å; W97-W126 HydrophobicContact CZ3-CH2 3.93Å; W97-W126 HydrophobicContact CZ3-CZ3 4.38Å; W97-W144 VanDerWaalsContact C-CD1 3.41Å; W97-W144 VanDerWaalsContact O-CD1 3.23Å
98A96.4Very high96.1Very high12 Ų1222.8 Ų22.810%0.09915%0.146CC..PPolyproline II helixtrans-70.3159.5173.800000111.4H100 Y102 M105 W144A98-H100 PolarHBondContact O-N 3.4Å; A98-Y102 HydrophobicContact CB-CD2 4.1Å; A98-M105 HydrophobicContact CB-CB 3.79Å; A98-M105 HydrophobicContact CB-CG 4.06Å; A98-M105 WeakPolarHBondContact CB-O 3.27Å; A98-M105 HydrophobicContact CB-SD 4.39Å; A98-M105 PolarHBondContact N-O 2.83Å; A98-W144 HydrophobicContact CB-CD2 3.68Å; A98-W144 HydrophobicContact CB-CE3 3.99Å; A98-W144 HydrophobicContact CB-CG 4.15Å; A98-W144 HydrophobicContact CB-CH2 4.17Å; A98-W144 HydrophobicContact CB-CZ2 3.84Å; A98-W144 HydrophobicContact CB-CZ3 4.2Å
99P93.7Very high96.2Very high28 Ų2822.5 Ų22.518%0.18215%0.145CC..PPolyproline II helixtrans-49.6135.6166.2-27.434.3000111.6S101 Y102 A145P99-S101 PolarHBondContact O-N 2.88Å; P99-Y102 HydrophobicContact CB-CD2 4.38Å; P99-Y102 HydrophobicContact CB-CE2 4.35Å; P99-Y102 HydrophobicContact CG-CD2 4.25Å; P99-Y102 HydrophobicContact CG-CE2 3.9Å; P99-Y102 WeakPolarHBondContact O-CB 3.42Å; P99-Y102 PolarHBondContact O-N 3.31Å; P99-A145 WeakPolarHBondContact CG-O 3.35Å
100H91.4Very high96.2Very high86 Ų8619.2 Ų19.240%0.39812%0.118SC..G310 helixtrans-61.8-22.1-172.965.4-99.3000114.2H53 M55 Y56 A98 Y102 G103H53-H100 HydrophobicContact CB-CB 3.57Å; H53-H100 AromaticContact CD2-CG 3.87Å; H53-H100 AromaticContact CD2-ND1 3.36Å; H53-H100 PolarHBondContact CD2-ND1 3.27Å; H53-H100 AromaticContact CE1-CG 3.92Å; H53-H100 AromaticContact CE1-ND1 3.82Å; H53-H100 AromaticContact CG-CG 3.73Å; H53-H100 AromaticContact CG-ND1 3.71Å; H53-H100 AromaticContact ND1-CG 3.76Å; H53-H100 AromaticContact ND1-ND1 3.97Å; H53-H100 AromaticContact NE2-CE1 3.77Å; H53-H100 AromaticContact NE2-ND1 3.45Å; H53-H100 PolarHBondContact NE2-ND1 3.05Å; M55-H100 HydrophobicContact CG-CB 4.49Å; M55-H100 HydrophobicContact SD-CB 3.57Å; M55-H100 VanDerWaalsContact SD-CB 3.57Å; Y56-H100 HydrophobicContact CE2-CB 4.05Å; Y56-H100 PolarHBondContact OH-O 3.14Å; A98-H100 PolarHBondContact O-N 3.4Å; H100-Y102 PolarHBondContact O-N 3.06Å; H100-G103 PolarHBondContact O-N 3.22Å
101S88.9Confident96.3Very high59 Ų5918.9 Ų18.941%0.41312%0.115SC..G310 helixtrans-65.2-19.1172.950.90000113.7P99 G103 S147P99-S101 PolarHBondContact O-N 2.88Å; S101-G103 VanDerWaalsContact C-N 3.29Å; S101-S147 WeakPolarHBondContact OG-CB 3.45Å; S101-S147 PolarHBondContact OG-OG 3.27Å
102Y89.8Confident96.2Very high18 Ų1820.4 Ų20.47%0.07112%0.123CC..G310 helixtrans-86.3-3.2176.2-60.2-8.3000112.6A98 P99 H100 W144 S147 P170 I171 K172A98-Y102 HydrophobicContact CB-CD2 4.1Å; P99-Y102 HydrophobicContact CB-CD2 4.38Å; P99-Y102 HydrophobicContact CB-CE2 4.35Å; P99-Y102 HydrophobicContact CG-CD2 4.25Å; P99-Y102 HydrophobicContact CG-CE2 3.9Å; P99-Y102 WeakPolarHBondContact O-CB 3.42Å; P99-Y102 PolarHBondContact O-N 3.31Å; H100-Y102 PolarHBondContact O-N 3.06Å; Y102-W144 HydrophobicContact CD2-CE3 4.3Å; Y102-W144 HydrophobicContact CD2-CZ3 4.24Å; Y102-W144 HydrophobicContact CE2-CE3 4.19Å; Y102-W144 HydrophobicContact CE2-CZ3 4.38Å; Y102-S147 WeakPolarHBondContact CE1-OG 3.09Å; Y102-S147 WeakPolarHBondContact OH-CA 3.31Å; Y102-P170 HydrophobicContact CD1-CB 4.16Å; Y102-P170 HydrophobicContact CD1-CG 3.6Å; Y102-P170 HydrophobicContact CE1-CB 3.6Å; Y102-P170 HydrophobicContact CE1-CG 3.6Å; Y102-I171 PolarHBondContact OH-O 2.81Å; Y102-K172 HydrophobicContact CD1-CD 4.45Å; Y102-K172 HydrophobicContact CD1-CG 4.17Å; Y102-K172 HydrophobicContact CD2-CB 4.15Å; Y102-K172 HydrophobicContact CD2-CD 3.83Å; Y102-K172 HydrophobicContact CD2-CG 3.78Å; Y102-K172 HydrophobicContact CE1-CG 4.29Å; Y102-K172 HydrophobicContact CE2-CB 3.96Å; Y102-K172 HydrophobicContact CE2-CD 4.45Å; Y102-K172 HydrophobicContact CE2-CG 3.91Å; Y102-K172 HydrophobicContact CG-CD 3.84Å; Y102-K172 HydrophobicContact CG-CG 3.93Å
103G91.6Very high96.2Very high26 Ų2620.6 Ų20.627%0.26813%0.125SC..  trans95.9-168.5-168.300000112.3Y56 H100 S101 M105Y56-G103 VanDerWaalsContact OH-CA 3.24Å; Y56-G103 WeakPolarHBondContact OH-CA 3.38Å; H100-G103 PolarHBondContact O-N 3.22Å; S101-G103 VanDerWaalsContact C-N 3.29Å; G103-M105 PolarHBondContact O-N 2.66Å
104L94.8Very high96.2Very high18 Ų1819.8 Ų19.89%0.09412%0.121CC..SBendtrans-85.695.9174.9-174.161.7000109.3Y56 L59 W97 S120 W126Y56-L104 HydrophobicContact CD1-CB 4.07Å; Y56-L104 HydrophobicContact CD1-CD1 4.45Å; Y56-L104 HydrophobicContact CD2-CB 4.38Å; Y56-L104 HydrophobicContact CD2-CD1 3.7Å; Y56-L104 HydrophobicContact CE1-CB 4.05Å; Y56-L104 HydrophobicContact CE2-CB 4.35Å; Y56-L104 HydrophobicContact CE2-CD1 4.3Å; Y56-L104 HydrophobicContact CG-CB 4.24Å; Y56-L104 HydrophobicContact CG-CD1 3.79Å; Y56-L104 HydrophobicContact CG-CD2 4.42Å; Y56-L104 HydrophobicContact CG-CG 4.38Å; L59-L104 HydrophobicContact CD1-CD1 3.88Å; L59-L104 HydrophobicContact CD1-CD2 3.72Å; L59-L104 HydrophobicContact CD1-CG 4.47Å; W97-L104 HydrophobicContact CE3-CD1 3.8Å; W97-L104 HydrophobicContact CH2-CD1 3.79Å; W97-L104 HydrophobicContact CH2-CG 4.3Å; W97-L104 HydrophobicContact CZ3-CD1 3.26Å; W97-L104 HydrophobicContact CZ3-CG 3.77Å; L104-S120 PolarHBondContact O-N 3Å; L104-W126 HydrophobicContact CD2-CH2 3.9Å; L104-W126 HydrophobicContact CD2-CZ2 4.01Å; L104-W126 HydrophobicContact CG-CH2 3.91Å
105M96Very high96.1Very high3 Ų319 Ų192%0.01512%0.116CC..EExtended strand (participates in β ladder)trans-136134.4-172.3179179.2-42.300111.8W97 A98 G103 I117 L118 I119 W144 K172W97-M105 VanDerWaalsContact CE3-O 3.28Å; A98-M105 HydrophobicContact CB-CB 3.79Å; A98-M105 HydrophobicContact CB-CG 4.06Å; A98-M105 WeakPolarHBondContact CB-O 3.27Å; A98-M105 HydrophobicContact CB-SD 4.39Å; A98-M105 PolarHBondContact N-O 2.83Å; G103-M105 PolarHBondContact O-N 2.66Å; M105-I117 HydrophobicContact CG-CG2 3.61Å; M105-I117 HydrophobicContact SD-CG2 3.68Å; M105-L118 CarbonylContact C-O 3.58Å; M105-L118 VanDerWaalsContact CA-O 3.24Å; M105-L118 WeakPolarHBondContact CA-O 3.44Å; M105-I119 HydrophobicContact CB-CG1 4.46Å; M105-I119 HydrophobicContact CE-CD1 3.75Å; M105-I119 HydrophobicContact CE-CG1 3.97Å; M105-I119 HydrophobicContact CG-CG1 3.99Å; M105-I119 HydrophobicContact SD-CD1 4.42Å; M105-I119 HydrophobicContact SD-CG1 4.36Å; M105-W144 HydrophobicContact CG-CH2 3.98Å; M105-W144 HydrophobicContact CG-CZ2 3.91Å; M105-W144 HydrophobicContact SD-CH2 3.32Å; M105-W144 WeakPolarHBondContact SD-CH2 3.39Å; M105-W144 HydrophobicContact SD-CZ2 3.9Å; M105-W144 HydrophobicContact SD-CZ3 4.06Å; M105-K172 HydrophobicContact CE-CD 3.84Å; M105-K172 HydrophobicContact SD-CD 4.24Å
106L98.2Very high96.1Very high0 Ų018.8 Ų18.80%012%0.115CC..EExtended strand (participates in β ladder)trans-125.7130.4-177.7-174.573.8000110.3A61 V69 V95 W97 I117 L118A61-L106 HydrophobicContact CB-CD1 3.79Å; A61-L106 HydrophobicContact CB-CD2 3.6Å; A61-L106 HydrophobicContact CB-CG 4.4Å; V69-L106 HydrophobicContact CG1-CD2 3.82Å; V95-L106 HydrophobicContact CB-CD1 4.24Å; V95-L106 HydrophobicContact CG1-CD2 4.37Å; W97-L106 HydrophobicContact CB-CD1 4.44Å; W97-L106 HydrophobicContact CD2-CB 4.34Å; W97-L106 HydrophobicContact CD2-CD1 3.57Å; W97-L106 HydrophobicContact CE3-CB 3.89Å; W97-L106 HydrophobicContact CE3-CD1 4Å; W97-L106 HydrophobicContact CG-CD1 3.76Å; W97-L106 HydrophobicContact CH2-CB 4.31Å; W97-L106 HydrophobicContact CZ2-CD1 4.26Å; W97-L106 HydrophobicContact CZ3-CB 3.85Å; W97-L106 HydrophobicContact CZ3-CD1 4.48Å; L106-I117 CarbonylContact O-C 3.49Å; L106-I117 WeakPolarHBondContact O-CA 3.24Å; L106-L118 HydrophobicContact CB-CB 4.32Å; L106-L118 HydrophobicContact CD2-CD1 4.26Å; L106-L118 PolarHBondContact N-O 2.94Å; L106-L118 PolarHBondContact O-N 2.81Å
107A98.4Very high96.1Very high0 Ų017.5 Ų17.50%011%0.106CC..EExtended strand (participates in β ladder)trans-95.1141.9168.600000110.6V95 C96 S116 I117 V142 W144V95-A107 VanDerWaalsContact CA-O 3.29Å; V95-A107 WeakPolarHBondContact CA-O 3.43Å; C96-A107 PolarHBondContact N-O 3.31Å; C96-A107 PolarHBondContact O-N 3.01Å; A107-S116 CarbonylContact C-O 3.58Å; A107-S116 WeakPolarHBondContact CA-O 3.41Å; A107-I117 HydrophobicContact CB-CD1 3.67Å; A107-V142 HydrophobicContact CB-CG1 4.17Å; A107-V142 HydrophobicContact CB-CG2 3.72Å; A107-W144 HydrophobicContact CB-CZ2 3.73Å
108C98.5Very high96Very high0 Ų016.4 Ų16.40%010%0.102CC..EExtended strand (participates in β ladder)trans-130.7122.3-179.9-48.40000109.5V69 V92 V95 I115 S116V69-C108 HydrophobicContact CG2-CB 4.13Å; V92-C108 HydrophobicContact CG1-CB 4.13Å; V95-C108 HydrophobicContact CG1-CB 4.23Å; C108-I115 CarbonylContact O-C 3.47Å; C108-I115 VanDerWaalsContact O-CA 3.27Å; C108-I115 WeakPolarHBondContact O-CA 3.44Å; C108-S116 PolarHBondContact N-O 2.68Å; C108-S116 PolarHBondContact O-N 2.9Å
109A98.5Very high96Very high0 Ų016.5 Ų16.50%010%0.1CC..EExtended strand (participates in β ladder)trans-102.5125.6178.500000110.6V92 N93 C94 V139 V142V92-A109 CarbonylContact C-O 3.55Å; V92-A109 WeakPolarHBondContact CA-O 3.15Å; V92-A109 WeakPolarHBondContact CG1-O 3.45Å; N93-A109 PolarHBondContact N-O 2.8Å; C94-A109 HydrophobicContact CB-CB 4.22Å; C94-A109 PolarHBondContact N-O 2.89Å; C94-A109 PolarHBondContact O-N 2.83Å; A109-V139 HydrophobicContact CB-CB 3.89Å; A109-V139 HydrophobicContact CB-CG1 3.57Å; A109-V142 HydrophobicContact CB-CB 4.1Å; A109-V142 HydrophobicContact CB-CG1 3.86Å
110S98.6Very high96Very high0 Ų015.8 Ų15.80%010%0.096CC..EExtended strand (participates in β ladder)trans-120.3149-178.2179.90000113.6H88 S90 S91 D112 G113 T114 V139H88-S110 WeakPolarHBondContact ND1-CB 3.18Å; S90-S110 PolarHBondContact O-OG 2.83Å; S91-S110 CarbonylContact O-C 3.51Å; S91-S110 VanDerWaalsContact O-CA 3.31Å; S91-S110 WeakPolarHBondContact O-CA 3.47Å; S91-S110 PolarHBondContact O-OG 2.89Å; S110-D112 VanDerWaalsContact CB-OD1 3.29Å; S110-D112 WeakPolarHBondContact CB-OD1 3.34Å; S110-D112 PolarHBondContact O-N 3.12Å; S110-D112 VanDerWaalsContact O-N 3.09Å; S110-D112 VanDerWaalsContact OG-CG 3.27Å; S110-D112 PolarHBondContact OG-N 3.34Å; S110-D112 PolarHBondContact OG-OD1 3.35Å; S110-G113 PolarHBondContact O-N 2.87Å; S110-G113 VanDerWaalsContact O-N 3.15Å; S110-T114 PolarHBondContact N-O 3.45Å; S110-V139 CarbonylContact C-O 3.57Å; S110-V139 PolarHBondContact O-N 2.94Å
111S98.3Very high95.9Very high38 Ų3815.3 Ų15.327%0.26610%0.096SC..THydrogen-bonded Turntrans-61.7-7.3168.4-65.50000113.9S90 S91 N93 G113S90-S111 WeakPolarHBondContact OG-CB 3.49Å; S91-S111 PolarHBondContact O-N 2.91Å; N93-S111 PolarHBondContact ND2-N 2.86Å; N93-S111 PolarHBondContact ND2-OG 2.69Å; N93-S111 PolarHBondContact OD1-OG 2.74Å; S111-G113 PolarHBondContact O-N 2.97Å
112D97.5Very high95.5Very high39 Ų3922.1 Ų22.121%0.20912%0.122CC..THydrogen-bonded Turntrans-792.1172.368.712.7000113.5H88 A89 S110 T114 R130H88-D112 WeakPolarHBondContact CA-OD2 3.36Å; H88-D112 IonicContact CG-OD2 2.74Å; H88-D112 IonicContact ND1-OD1 3.27Å; H88-D112 PolarHBondContact ND1-OD1 2.91Å; H88-D112 IonicContact ND1-OD2 3.04Å; H88-D112 PolarHBondContact ND1-OD2 2.78Å; A89-D112 HydrophobicContact CB-CB 4.02Å; A89-D112 PolarHBondContact N-OD2 3.16Å; S110-D112 VanDerWaalsContact CB-OD1 3.29Å; S110-D112 WeakPolarHBondContact CB-OD1 3.34Å; S110-D112 PolarHBondContact O-N 3.12Å; S110-D112 VanDerWaalsContact O-N 3.09Å; S110-D112 VanDerWaalsContact OG-CG 3.27Å; S110-D112 PolarHBondContact OG-N 3.34Å; S110-D112 PolarHBondContact OG-OD1 3.35Å; D112-T114 VanDerWaalsContact C-N 3.32Å; D112-T114 VanDerWaalsContact CG-OG1 3.29Å; D112-T114 VanDerWaalsContact OD1-CB 3.32Å; D112-T114 WeakPolarHBondContact OD1-CB 3.38Å; D112-T114 PolarHBondContact OD1-N 2.83Å; D112-T114 PolarHBondContact OD1-OG1 2.92Å; D112-T114 PolarHBondContact OD2-OG1 3.26Å; D112-R130 IonicContact OD1-NH2 2.71Å; D112-R130 IonicContact OD2-NH2 3.7Å; D112-R130 PolarHBondContact OD2-NH2 3.43Å
113G97.5Very high95.2Very high4 Ų426 Ų264%0.04115%0.148CC..SBendtrans85.33.5179.300000113.7S110 S111 A134 H135S110-G113 PolarHBondContact O-N 2.87Å; S110-G113 VanDerWaalsContact O-N 3.15Å; S111-G113 PolarHBondContact O-N 2.97Å; G113-A134 WeakPolarHBondContact O-CA 3.44Å; G113-A134 WeakPolarHBondContact O-CB 3.44Å; G113-A134 PolarHBondContact O-N 3.4Å; G113-H135 WeakPolarHBondContact CA-O 3.39Å; G113-H135 PolarHBondContact O-N 2.85Å; G113-H135 VanDerWaalsContact O-N 3.1Å
114T98.1Very high94.7Very high13 Ų1330.8 Ų30.88%0.0817%0.167CC..  trans-111.8155.2-177.772.50000112.7H88 S110 D112 R130 I131H88-T114 PolarHBondContact CE1-OG1 2.82Å; H88-T114 VanDerWaalsContact CE1-OG1 3.28Å; H88-T114 PolarHBondContact ND1-OG1 2.83Å; S110-T114 PolarHBondContact N-O 3.45Å; D112-T114 VanDerWaalsContact C-N 3.32Å; D112-T114 VanDerWaalsContact CG-OG1 3.29Å; D112-T114 VanDerWaalsContact OD1-CB 3.32Å; D112-T114 WeakPolarHBondContact OD1-CB 3.38Å; D112-T114 PolarHBondContact OD1-N 2.83Å; D112-T114 PolarHBondContact OD1-OG1 2.92Å; D112-T114 PolarHBondContact OD2-OG1 3.26Å; T114-R130 PolarHBondContact OG1-NE 2.97Å; T114-R130 VanDerWaalsContact OG1-NE 3.1Å; T114-R130 PolarHBondContact OG1-NH2 3.03Å; T114-I131 WeakPolarHBondContact CA-O 3.11Å; T114-I131 WeakPolarHBondContact CB-O 3.39Å
115I98.3Very high94.5Very high0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-114.4130.1170.3-59.2169.9000107.7C108 I117 I131 A134 V139 L174C108-I115 CarbonylContact O-C 3.47Å; C108-I115 VanDerWaalsContact O-CA 3.27Å; C108-I115 WeakPolarHBondContact O-CA 3.44Å; I115-I117 HydrophobicContact CG2-CD1 3.94Å; I115-I131 HydrophobicContact CB-CB 4.16Å; I115-I131 HydrophobicContact CB-CD1 4.22Å; I115-I131 HydrophobicContact CB-CG1 4.33Å; I115-I131 HydrophobicContact CG2-CD1 4.31Å; I115-I131 PolarHBondContact N-O 2.75Å; I115-I131 PolarHBondContact O-N 2.74Å; I115-A134 HydrophobicContact CD1-CB 3.77Å; I115-A134 HydrophobicContact CG1-CB 3.77Å; I115-V139 HydrophobicContact CD1-CG1 4.32Å; I115-V139 HydrophobicContact CG1-CG1 4.16Å; I115-V139 HydrophobicContact CG1-CG2 4.06Å; I115-L174 HydrophobicContact CD1-CD1 4.33Å
116S97.7Very high94.4Very high0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-104.6138.2170.4-59.70000110.2Y85 H88 A107 C108 F129Y85-S116 WeakPolarHBondContact CE1-OG 3.39Å; Y85-S116 PolarHBondContact OH-OG 2.97Å; H88-S116 PolarHBondContact CE1-OG 3.38Å; H88-S116 WeakPolarHBondContact NE2-CB 3.46Å; H88-S116 PolarHBondContact NE2-OG 2.81Å; A107-S116 CarbonylContact C-O 3.58Å; A107-S116 WeakPolarHBondContact CA-O 3.41Å; C108-S116 PolarHBondContact N-O 2.68Å; C108-S116 PolarHBondContact O-N 2.9Å; S116-F129 CarbonylContact C-O 3.56Å; S116-F129 WeakPolarHBondContact CA-O 3.42Å
117I97.5Very high94.3Very high0 Ų041.4 Ų41.40%022%0.216CC..EExtended strand (participates in β ladder)trans-112.9110.3172.7-50.9-59.7000107.8M105 L106 A107 I115 I119 A128 F129 W144 L174 W197M105-I117 HydrophobicContact CG-CG2 3.61Å; M105-I117 HydrophobicContact SD-CG2 3.68Å; L106-I117 CarbonylContact O-C 3.49Å; L106-I117 WeakPolarHBondContact O-CA 3.24Å; A107-I117 HydrophobicContact CB-CD1 3.67Å; I115-I117 HydrophobicContact CG2-CD1 3.94Å; I117-I119 HydrophobicContact CG2-CG1 4.22Å; I117-A128 WeakPolarHBondContact O-CA 3.28Å; I117-F129 HydrophobicContact CB-CB 4.38Å; I117-F129 PolarHBondContact N-O 2.7Å; I117-F129 PolarHBondContact O-N 3.12Å; I117-W144 HydrophobicContact CD1-CH2 4.27Å; I117-W144 HydrophobicContact CD1-CZ2 4.07Å; I117-W144 HydrophobicContact CG2-CH2 4.27Å; I117-W144 HydrophobicContact CG2-CZ2 4.35Å; I117-L174 HydrophobicContact CD1-CD2 3.56Å; I117-W197 HydrophobicContact CG1-CZ2 4.4Å; I117-W197 HydrophobicContact CG2-CZ2 4.49Å
118L97.2Very high94.1Very high0 Ų043.8 Ų43.80%024%0.236CC..EExtended strand (participates in β ladder)trans-94128.4178.6-52.1178.7000108.7V69 F83 Y85 M105 L106 W126 R127 A128V69-L118 HydrophobicContact CG1-CD1 4.38Å; F83-L118 HydrophobicContact CE1-CD1 4.11Å; Y85-L118 HydrophobicContact CD1-CD1 4.2Å; Y85-L118 HydrophobicContact CD1-CD2 3.99Å; Y85-L118 HydrophobicContact CD2-CD2 3.76Å; Y85-L118 HydrophobicContact CE1-CD2 4.05Å; Y85-L118 HydrophobicContact CE2-CD2 3.84Å; Y85-L118 HydrophobicContact CG-CD1 4.1Å; Y85-L118 HydrophobicContact CG-CD2 3.82Å; M105-L118 CarbonylContact C-O 3.58Å; M105-L118 VanDerWaalsContact CA-O 3.24Å; M105-L118 WeakPolarHBondContact CA-O 3.44Å; L106-L118 HydrophobicContact CB-CB 4.32Å; L106-L118 HydrophobicContact CD2-CD1 4.26Å; L106-L118 PolarHBondContact N-O 2.94Å; L106-L118 PolarHBondContact O-N 2.81Å; L118-W126 HydrophobicContact CB-CE3 3.97Å; L118-W126 HydrophobicContact CB-CZ3 4.15Å; L118-R127 CarbonylContact C-O 3.6Å; L118-R127 WeakPolarHBondContact CA-O 3.36Å; L118-A128 HydrophobicContact CD2-CB 3.55Å
119I95.5Very high93.8Very high14 Ų1446.5 Ų46.57%0.07225%0.247CC..EExtended strand (participates in β ladder)trans-124.5127.8179.6-53.4179.8000107.7M105 I117 W126 R127 F129M105-I119 HydrophobicContact CB-CG1 4.46Å; M105-I119 HydrophobicContact CE-CD1 3.75Å; M105-I119 HydrophobicContact CE-CG1 3.97Å; M105-I119 HydrophobicContact CG-CG1 3.99Å; M105-I119 HydrophobicContact SD-CD1 4.42Å; M105-I119 HydrophobicContact SD-CG1 4.36Å; I117-I119 HydrophobicContact CG2-CG1 4.22Å; I119-W126 WeakPolarHBondContact O-CA 3.45Å; I119-R127 HydrophobicContact CB-CG 3.79Å; I119-R127 PolarHBondContact N-O 3.02Å; I119-R127 WeakPolarHBondContact O-CG 3.34Å; I119-R127 PolarHBondContact O-N 2.85Å; I119-F129 HydrophobicContact CD1-CD2 3.85Å; I119-F129 HydrophobicContact CD1-CE2 3.71Å; I119-F129 HydrophobicContact CG1-CD2 4.38Å; I119-F129 HydrophobicContact CG1-CE2 4.44Å
120S94.4Very high93.6Very high14 Ų1451.5 Ų51.510%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-91.9137.2170.1-162.60000110.2L104 S125L104-S120 PolarHBondContact O-N 3Å; S120-S125 CarbonylContact C-O 3.57Å; S120-S125 WeakPolarHBondContact CA-O 3.34Å
121D88.1Confident93.5Very high75 Ų7551.8 Ų51.840%0.40127%0.268SS..  trans-89.1175.6169.46918.8000111.8T123 N124 S125D121-T123 PolarHBondContact O-N 3.25Å; D121-T123 VanDerWaalsContact O-N 3.11Å; D121-T123 VanDerWaalsContact OD1-CA 3.29Å; D121-T123 WeakPolarHBondContact OD1-CA 3.47Å; D121-T123 WeakPolarHBondContact OD1-CB 3.33Å; D121-T123 PolarHBondContact OD1-N 3.14Å; D121-T123 PolarHBondContact OD1-OG1 3.2Å; D121-T123 PolarHBondContact OD2-OG1 2.99Å; D121-N124 PolarHBondContact O-N 2.61Å; D121-N124 PolarHBondContact OD1-N 2.98Å; D121-S125 PolarHBondContact N-O 3.42Å; D121-S125 WeakPolarHBondContact OD1-CA 3.29Å; D121-S125 WeakPolarHBondContact OD1-CB 3.35Å; D121-S125 PolarHBondContact OD1-N 2.82Å; D121-S125 WeakPolarHBondContact OD2-CB 3.43Å
122E81.6Confident93.2Very high203 Ų20354.3 Ų54.395%0.94928%0.283SS*.THydrogen-bonded Turntrans-63.4-15.5178.7-60.8-178.3175.800113.2N124E122-N124 VanDerWaalsContact C-N 3.3Å
123T83.8Confident93Very high100 Ų10060.6 Ų60.661%0.61331%0.311SS*.THydrogen-bonded Turntrans-89.53.5177.675.20000112.7D121 S125D121-T123 PolarHBondContact O-N 3.25Å; D121-T123 VanDerWaalsContact O-N 3.11Å; D121-T123 VanDerWaalsContact OD1-CA 3.29Å; D121-T123 WeakPolarHBondContact OD1-CA 3.47Å; D121-T123 WeakPolarHBondContact OD1-CB 3.33Å; D121-T123 PolarHBondContact OD1-N 3.14Å; D121-T123 PolarHBondContact OD1-OG1 3.2Å; D121-T123 PolarHBondContact OD2-OG1 2.99Å; T123-S125 PolarHBondContact O-N 3.04Å; T123-S125 PolarHBondContact OG1-OG 2.86Å
124N80.8Confident92.9Very high126 Ų12660.4 Ų60.467%0.67431%0.309SS*.SBendtrans61.220.3-169.5-55.8-62.8000113.8D121 E122D121-N124 PolarHBondContact O-N 2.61Å; D121-N124 PolarHBondContact OD1-N 2.98Å; E122-N124 VanDerWaalsContact C-N 3.3Å
125S90.9Very high92.9Very high64 Ų6459.9 Ų59.945%0.44831%0.306SS..  trans-81.4143.5168.2-54.20000109S120 D121 T123S120-S125 CarbonylContact C-O 3.57Å; S120-S125 WeakPolarHBondContact CA-O 3.34Å; D121-S125 PolarHBondContact N-O 3.42Å; D121-S125 WeakPolarHBondContact OD1-CA 3.29Å; D121-S125 WeakPolarHBondContact OD1-CB 3.35Å; D121-S125 PolarHBondContact OD1-N 2.82Å; D121-S125 WeakPolarHBondContact OD2-CB 3.43Å; T123-S125 PolarHBondContact O-N 3.04Å; T123-S125 PolarHBondContact OG1-OG 2.86Å
126W94.2Very high92.8Very high50 Ų5064.8 Ų64.819%0.18934%0.34CS..EExtended strand (participates in β ladder)trans-109.3129.5-178.2-70.883.9000110.2I71 F83 W97 L104 L118 I119I71-W126 HydrophobicContact CD1-CD2 4.21Å; I71-W126 HydrophobicContact CD1-CE3 4.08Å; I71-W126 HydrophobicContact CD1-CH2 3.3Å; I71-W126 HydrophobicContact CD1-CZ2 3.41Å; I71-W126 VanDerWaalsContact CD1-CZ2 3.41Å; I71-W126 HydrophobicContact CD1-CZ3 3.64Å; F83-W126 HydrophobicContact CB-CG 4.45Å; F83-W126 HydrophobicContact CD1-CB 4.31Å; F83-W126 AromaticContact CD1-CD2 3.88Å; F83-W126 HydrophobicContact CD1-CD2 3.88Å; F83-W126 HydrophobicContact CD1-CE3 4.36Å; F83-W126 AromaticContact CD1-CG 3.84Å; F83-W126 HydrophobicContact CD1-CG 3.84Å; F83-W126 HydrophobicContact CD2-CB 3.87Å; F83-W126 AromaticContact CD2-CD1 3.44Å; F83-W126 VanDerWaalsContact CD2-CD1 3.44Å; F83-W126 HydrophobicContact CD2-CD2 4.46Å; F83-W126 AromaticContact CD2-CG 3.64Å; F83-W126 HydrophobicContact CD2-CG 3.64Å; F83-W126 HydrophobicContact CE1-CB 3.87Å; F83-W126 HydrophobicContact CE1-CD2 4.1Å; F83-W126 HydrophobicContact CE1-CE3 4.37Å; F83-W126 AromaticContact CE1-CG 3.89Å; F83-W126 HydrophobicContact CE1-CG 3.89Å; F83-W126 HydrophobicContact CE2-CB 3.42Å; F83-W126 VanDerWaalsContact CE2-CB 3.42Å; F83-W126 AromaticContact CE2-CD1 3.95Å; F83-W126 AromaticContact CE2-CG 3.74Å; F83-W126 HydrophobicContact CE2-CG 3.74Å; F83-W126 HydrophobicContact CG-CB 4.3Å; F83-W126 AromaticContact CG-CD1 3.56Å; F83-W126 HydrophobicContact CG-CD2 4.06Å; F83-W126 AromaticContact CG-CG 3.7Å; F83-W126 HydrophobicContact CG-CG 3.7Å; F83-W126 AromaticContact CG-NE1 3.82Å; F83-W126 HydrophobicContact CZ-CB 3.41Å; F83-W126 VanDerWaalsContact CZ-CB 3.41Å; F83-W126 AromaticContact CZ-CG 3.85Å; F83-W126 HydrophobicContact CZ-CG 3.85Å; W97-W126 AromaticContact CH2-CH2 3.68Å; W97-W126 HydrophobicContact CH2-CH2 3.68Å; W97-W126 HydrophobicContact CH2-CZ3 4.39Å; W97-W126 AromaticContact CZ3-CH2 3.93Å; W97-W126 HydrophobicContact CZ3-CH2 3.93Å; W97-W126 HydrophobicContact CZ3-CZ3 4.38Å; L104-W126 HydrophobicContact CD2-CH2 3.9Å; L104-W126 HydrophobicContact CD2-CZ2 4.01Å; L104-W126 HydrophobicContact CG-CH2 3.91Å; L118-W126 HydrophobicContact CB-CE3 3.97Å; L118-W126 HydrophobicContact CB-CZ3 4.15Å; I119-W126 WeakPolarHBondContact O-CA 3.45Å
127R94.3Very high92.6Very high129 Ų12968.8 Ų68.849%0.48737%0.365SS..EExtended strand (participates in β ladder)trans-111.6143.1170.262.9-177.9-177.3159.45.9109.6L118 I119 F129L118-R127 CarbonylContact C-O 3.6Å; L118-R127 WeakPolarHBondContact CA-O 3.36Å; I119-R127 HydrophobicContact CB-CG 3.79Å; I119-R127 PolarHBondContact N-O 3.02Å; I119-R127 WeakPolarHBondContact O-CG 3.34Å; I119-R127 PolarHBondContact O-N 2.85Å; R127-F129 HydrophobicContact CG-CE2 3.88Å
128A94.2Very high92.6Very high51 Ų5168.9 Ų68.942%0.42137%0.365SS..EExtended strand (participates in β ladder)trans-115.5130178.400000110.1Y85 I117 L118Y85-A128 HydrophobicContact CD2-CB 4.35Å; Y85-A128 HydrophobicContact CE2-CB 3.53Å; I117-A128 WeakPolarHBondContact O-CA 3.28Å; L118-A128 HydrophobicContact CD2-CB 3.55Å
129F93.7Very high92.7Very high57 Ų5768.9 Ų68.925%0.2537%0.365CS..EExtended strand (participates in β ladder)trans-107.5139.1166.7-64.9-91000108.2S116 I117 I119 R127S116-F129 CarbonylContact C-O 3.56Å; S116-F129 WeakPolarHBondContact CA-O 3.42Å; I117-F129 HydrophobicContact CB-CB 4.38Å; I117-F129 PolarHBondContact N-O 2.7Å; I117-F129 PolarHBondContact O-N 3.12Å; I119-F129 HydrophobicContact CD1-CD2 3.85Å; I119-F129 HydrophobicContact CD1-CE2 3.71Å; I119-F129 HydrophobicContact CG1-CD2 4.38Å; I119-F129 HydrophobicContact CG1-CE2 4.44Å; R127-F129 HydrophobicContact CG-CE2 3.88Å
130R93.8Very high92.8Very high105 Ų10569.2 Ų69.240%0.39637%0.367SS..EExtended strand (participates in β ladder)trans-114.9134.4179.9-164.7171.7-170.5155.61.1109.5E87 D112 T114 P132E87-R130 PolarHBondContact O-NH1 3.3Å; D112-R130 IonicContact OD1-NH2 2.71Å; D112-R130 IonicContact OD2-NH2 3.7Å; D112-R130 PolarHBondContact OD2-NH2 3.43Å; T114-R130 PolarHBondContact OG1-NE 2.97Å; T114-R130 VanDerWaalsContact OG1-NE 3.1Å; T114-R130 PolarHBondContact OG1-NH2 3.03Å; R130-P132 WeakPolarHBondContact O-CD 3.31Å
131I95.4Very high93Very high6 Ų668.6 Ų68.63%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-95.994.3165.6-48.7-175.7000105.7T114 I115 A134 W186 W197T114-I131 WeakPolarHBondContact CA-O 3.11Å; T114-I131 WeakPolarHBondContact CB-O 3.39Å; I115-I131 HydrophobicContact CB-CB 4.16Å; I115-I131 HydrophobicContact CB-CD1 4.22Å; I115-I131 HydrophobicContact CB-CG1 4.33Å; I115-I131 HydrophobicContact CG2-CD1 4.31Å; I115-I131 PolarHBondContact N-O 2.75Å; I115-I131 PolarHBondContact O-N 2.74Å; I131-A134 HydrophobicContact CG2-CB 4.14Å; I131-W186 HydrophobicContact CD1-CB 4.5Å; I131-W186 HydrophobicContact CD1-CD2 4.21Å; I131-W186 HydrophobicContact CD1-CE3 4.23Å; I131-W186 HydrophobicContact CD1-CG 4.32Å; I131-W186 HydrophobicContact CG2-CD2 4.28Å; I131-W186 HydrophobicContact CG2-CE3 3.68Å; I131-W186 HydrophobicContact CG2-CH2 3.82Å; I131-W186 HydrophobicContact CG2-CZ2 4.37Å; I131-W186 HydrophobicContact CG2-CZ3 3.41Å; I131-W186 VanDerWaalsContact CG2-CZ3 3.41Å; I131-W197 HydrophobicContact CD1-CB 3.49Å; I131-W197 VanDerWaalsContact CD1-CB 3.49Å; I131-W197 HydrophobicContact CD1-CD2 4.15Å; I131-W197 HydrophobicContact CD1-CE3 4.37Å; I131-W197 HydrophobicContact CD1-CG 3.79Å; I131-W197 HydrophobicContact CG1-CB 3.69Å; I131-W197 HydrophobicContact CG1-CG 4.11Å
132P93.8Very high93.5Very high90 Ų9065.2 Ų65.258%0.58435%0.345SS*.THydrogen-bonded Turntrans-66.7151.2175.430.9-35.3000109.8R130 A134R130-P132 WeakPolarHBondContact O-CD 3.31Å; P132-A134 PolarHBondContact O-N 3.04Å; P132-A134 VanDerWaalsContact O-N 3.09Å
133E92.7Very high94.3Very high171 Ų17156.4 Ų56.480%0.79931%0.306SS*.THydrogen-bonded Turntrans53.234.4173.6-54.5-173.5162.900114.2H135E133-H135 VanDerWaalsContact C-N 3.32Å; E133-H135 PolarHBondContact O-N 2.85Å
134A95.8Very high94.9Very high0 Ų052.4 Ų52.40%028%0.279CS..SBendtrans-58-46.5177.800000111G113 I115 I131 P132 V139 K184 W186G113-A134 WeakPolarHBondContact O-CA 3.44Å; G113-A134 WeakPolarHBondContact O-CB 3.44Å; G113-A134 PolarHBondContact O-N 3.4Å; I115-A134 HydrophobicContact CD1-CB 3.77Å; I115-A134 HydrophobicContact CG1-CB 3.77Å; I131-A134 HydrophobicContact CG2-CB 4.14Å; P132-A134 PolarHBondContact O-N 3.04Å; P132-A134 VanDerWaalsContact O-N 3.09Å; A134-V139 HydrophobicContact CB-CG2 4.24Å; A134-K184 WeakPolarHBondContact O-CD 3.46Å; A134-K184 WeakPolarHBondContact O-CE 3.42Å; A134-K184 PolarHBondContact O-NZ 2.93Å; A134-W186 HydrophobicContact CB-CH2 3.99Å; A134-W186 HydrophobicContact CB-CZ2 3.61Å
135H97.3Very high95.5Very high2 Ų246.6 Ų46.61%0.00925%0.249CC..SBendtrans-134.6142.4171.4-69.9-97.2000109.7G113 E133 V137 G138 V139 S176 G178 D180 L182G113-H135 WeakPolarHBondContact CA-O 3.39Å; G113-H135 PolarHBondContact O-N 2.85Å; G113-H135 VanDerWaalsContact O-N 3.1Å; E133-H135 VanDerWaalsContact C-N 3.32Å; E133-H135 PolarHBondContact O-N 2.85Å; H135-V137 VanDerWaalsContact C-N 3.27Å; H135-V137 PolarHBondContact O-N 2.9Å; H135-G138 WeakPolarHBondContact CB-O 3.41Å; H135-V139 HydrophobicContact CB-CG2 4.12Å; H135-S176 PolarHBondContact NE2-OG 3.19Å; H135-G178 PolarHBondContact CE1-N 2.82Å; H135-G178 WeakPolarHBondContact ND1-CA 3.45Å; H135-D180 WeakPolarHBondContact CA-OD2 3.33Å; H135-D180 WeakPolarHBondContact CB-OD2 3.39Å; H135-D180 IonicContact CE1-OD1 3.7Å; H135-D180 IonicContact CG-OD1 2.68Å; H135-D180 IonicContact CG-OD2 3.5Å; H135-D180 VanDerWaalsContact ND1-CG 3.29Å; H135-D180 IonicContact ND1-OD1 2.88Å; H135-D180 PolarHBondContact ND1-OD1 2.74Å; H135-D180 IonicContact ND1-OD2 2.98Å; H135-D180 PolarHBondContact ND1-OD2 2.95Å; H135-D180 VanDerWaalsContact ND1-OD2 3.08Å; H135-L182 PolarHBondContact CE1-O 3.1Å; H135-L182 VanDerWaalsContact CE1-O 3.28Å
136S95.1Very high95.5Very high103 Ų10344.5 Ų44.572%0.7223%0.234SC*.SBendtrans-69.7-22.8-169.558.60000114.4D180S136-D180 PolarHBondContact N-OD2 2.87Å; S136-D180 WeakPolarHBondContact OG-CB 3.44Å
137V95.1Very high95Very high85 Ų8543.7 Ų43.752%0.51524%0.236SC..SBendtrans-110.7-40.7-177.4-178.90000111.9H135 C179H135-V137 VanDerWaalsContact C-N 3.27Å; H135-V137 PolarHBondContact O-N 2.9Å; V137-C179 HydrophobicContact CB-CB 3.76Å; V137-C179 HydrophobicContact CG1-CB 3.55Å
138G97.4Very high93.9Very high1 Ų138.8 Ų38.81%0.0122%0.219CC..  trans164.4154.1-174.900000111.6H135 G178 C179H135-G138 WeakPolarHBondContact CB-O 3.41Å; G138-G178 CarbonylContact O-C 3.53Å; G138-G178 WeakPolarHBondContact O-CA 3.46Å; G138-C179 PolarHBondContact O-N 2.8Å
139V98.5Very high92.2Very high0 Ų040.3 Ų40.30%022%0.22CC..EExtended strand (participates in β ladder)trans-106.2124177.9-161.90000109.2N93 A109 S110 I115 A134 H135N93-V139 PolarHBondContact ND2-O 2.85Å; A109-V139 HydrophobicContact CB-CB 3.89Å; A109-V139 HydrophobicContact CB-CG1 3.57Å; S110-V139 CarbonylContact C-O 3.57Å; S110-V139 PolarHBondContact O-N 2.94Å; I115-V139 HydrophobicContact CD1-CG1 4.32Å; I115-V139 HydrophobicContact CG1-CG1 4.16Å; I115-V139 HydrophobicContact CG1-CG2 4.06Å; A134-V139 HydrophobicContact CB-CG2 4.24Å; H135-V139 HydrophobicContact CB-CG2 4.12Å
140N98.5Very high90.2Very high21 Ų2139.1 Ų39.111%0.11222%0.221CC..EExtended strand (participates in β ladder)trans-94.5-39.9-178.8-71.6-31.9000112.2N93 C94 G177 C179 V210N93-N140 WeakPolarHBondContact CB-O 3.47Å; C94-N140 WeakPolarHBondContact CB-O 3.22Å; N140-G177 PolarHBondContact N-O 3.24Å; N140-C179 PolarHBondContact ND2-SG 2.92Å; N140-C179 PolarHBondContact OD1-SG 2.85Å; N140-C179 VanDerWaalsContact OD1-SG 3.39Å; N140-V210 WeakPolarHBondContact CB-O 3.47Å; N140-V210 PolarHBondContact ND2-O 2.77Å
141S98.3Very high88.1Confident2 Ų238.8 Ų38.81%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-141.4151.4-173.6179.10000112.1S176 G177 D212 V213S141-S176 VanDerWaalsContact O-CA 3.28Å; S141-S176 WeakPolarHBondContact O-CA 3.24Å; S141-G177 PolarHBondContact N-O 2.71Å; S141-G177 PolarHBondContact O-N 3.18Å; S141-D212 WeakPolarHBondContact CB-OD1 3.45Å; S141-D212 PolarHBondContact OG-OD1 3.14Å; S141-V213 PolarHBondContact OG-N 3.24Å; S141-V213 PolarHBondContact OG-O 3.34Å
142V98.3Very high85.9Confident4 Ų445.1 Ų45.12%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-140.5138.7175.257.80000109.8C94 C96 A107 A109 L174 V175C94-V142 HydrophobicContact CB-CG1 4.32Å; C96-V142 HydrophobicContact CB-CG1 4.25Å; A107-V142 HydrophobicContact CB-CG1 4.17Å; A107-V142 HydrophobicContact CB-CG2 3.72Å; A109-V142 HydrophobicContact CB-CB 4.1Å; A109-V142 HydrophobicContact CB-CG1 3.86Å; V142-L174 HydrophobicContact CG2-CB 4.45Å; V142-L174 HydrophobicContact CG2-CD1 3.87Å; V142-V175 CarbonylContact C-O 3.58Å; V142-V175 WeakPolarHBondContact CA-O 3.37Å
143S98.2Very high83.9Confident18 Ų1845.8 Ų45.813%0.12625%0.249CC..EExtended strand (participates in β ladder)trans-141.3134.1176.4-176.10000110.6L174 V175 V213 W215S143-L174 CarbonylContact O-C 3.57Å; S143-L174 WeakPolarHBondContact O-CA 3.41Å; S143-V175 PolarHBondContact N-O 3.41Å; S143-V175 PolarHBondContact O-N 3.42Å; S143-V213 WeakPolarHBondContact CB-O 3.43Å; S143-W215 PolarHBondContact OG-N 2.88Å
144W96.7Very high81.7Confident15 Ų1544.5 Ų44.56%0.05724%0.241CC..EExtended strand (participates in β ladder)trans-77.9141.9178.7-74.896.1000111.9C96 W97 A98 Y102 M105 A107 I117 K172 L174 W197 W215C96-W144 VanDerWaalsContact O-CD1 3.32Å; C96-W144 PolarHBondContact O-NE1 3.37Å; W97-W144 VanDerWaalsContact C-CD1 3.41Å; W97-W144 VanDerWaalsContact O-CD1 3.23Å; A98-W144 HydrophobicContact CB-CD2 3.68Å; A98-W144 HydrophobicContact CB-CE3 3.99Å; A98-W144 HydrophobicContact CB-CG 4.15Å; A98-W144 HydrophobicContact CB-CH2 4.17Å; A98-W144 HydrophobicContact CB-CZ2 3.84Å; A98-W144 HydrophobicContact CB-CZ3 4.2Å; Y102-W144 HydrophobicContact CD2-CE3 4.3Å; Y102-W144 HydrophobicContact CD2-CZ3 4.24Å; Y102-W144 HydrophobicContact CE2-CE3 4.19Å; Y102-W144 HydrophobicContact CE2-CZ3 4.38Å; M105-W144 HydrophobicContact CG-CH2 3.98Å; M105-W144 HydrophobicContact CG-CZ2 3.91Å; M105-W144 HydrophobicContact SD-CH2 3.32Å; M105-W144 WeakPolarHBondContact SD-CH2 3.39Å; M105-W144 HydrophobicContact SD-CZ2 3.9Å; M105-W144 HydrophobicContact SD-CZ3 4.06Å; A107-W144 HydrophobicContact CB-CZ2 3.73Å; I117-W144 HydrophobicContact CD1-CH2 4.27Å; I117-W144 HydrophobicContact CD1-CZ2 4.07Å; I117-W144 HydrophobicContact CG2-CH2 4.27Å; I117-W144 HydrophobicContact CG2-CZ2 4.35Å; W144-K172 HydrophobicContact CZ3-CB 4.41Å; W144-L174 HydrophobicContact CD2-CB 4.24Å; W144-L174 HydrophobicContact CE3-CB 4.1Å; W144-L174 HydrophobicContact CH2-CD2 3.94Å; W144-L174 HydrophobicContact CZ2-CD2 4.17Å; W144-L174 HydrophobicContact CZ3-CB 4.48Å; W144-L174 HydrophobicContact CZ3-CD2 4.18Å; W144-W197 AromaticContact CH2-CH2 3.69Å; W144-W197 HydrophobicContact CH2-CH2 3.69Å; W144-W197 AromaticContact CH2-CZ2 3.83Å; W144-W197 HydrophobicContact CH2-CZ2 3.83Å; W144-W197 AromaticContact CZ3-CH2 3.55Å; W144-W197 HydrophobicContact CZ3-CH2 3.55Å; W144-W197 HydrophobicContact CZ3-CZ2 4.11Å; W144-W215 WeakPolarHBondContact O-CB 3.43Å
145A93.8Very high79.1Confident5 Ų547.4 Ų47.44%0.04126%0.256CS..PPolyproline II helixtrans-66.8145.416600000110.3P99 R173 W215P99-A145 WeakPolarHBondContact CG-O 3.35Å; A145-R173 HydrophobicContact CB-CB 3.7Å; A145-R173 VanDerWaalsContact CB-O 3.28Å; A145-R173 WeakPolarHBondContact CB-O 3.32Å; A145-R173 PolarHBondContact N-O 2.6Å; A145-W215 HydrophobicContact CB-CD2 3.59Å; A145-W215 HydrophobicContact CB-CE3 3.61Å; A145-W215 HydrophobicContact CB-CG 4.31Å; A145-W215 HydrophobicContact CB-CH2 3.75Å; A145-W215 HydrophobicContact CB-CZ2 3.7Å; A145-W215 HydrophobicContact CB-CZ3 3.7Å
146P89.7Confident77Confident20 Ų2051.2 Ų51.213%0.1328%0.281CS..PPolyproline II helixtrans-58.3147.2172.325.2-33.2000110.7I148 W215P146-I148 HydrophobicContact CG-CD1 4.15Å; P146-I148 HydrophobicContact CG-CG1 4.36Å; P146-I148 PolarHBondContact O-N 2.71Å; P146-W215 VanDerWaalsContact CD-CD1 3.49Å
147S83.7Confident75Confident33 Ų3350.7 Ų50.723%0.23127%0.274CS..  trans-6996.1176.51770000110.7S101 Y102S101-S147 WeakPolarHBondContact OG-CB 3.45Å; S101-S147 PolarHBondContact OG-OG 3.27Å; Y102-S147 WeakPolarHBondContact CE1-OG 3.09Å; Y102-S147 WeakPolarHBondContact OH-CA 3.31Å
148I71.1Confident72.6Confident25 Ų2550.3 Ų50.313%0.12827%0.269CS..  trans-99.9107.1176.3-64.5166.5000108.1P146 A150 I221 Q224P146-I148 HydrophobicContact CG-CD1 4.15Å; P146-I148 HydrophobicContact CG-CG1 4.36Å; P146-I148 PolarHBondContact O-N 2.71Å; I148-A150 VanDerWaalsContact C-N 3.26Å; I148-A150 HydrophobicContact CG2-CB 4.24Å; I148-A150 PolarHBondContact O-N 3.07Å; I148-A150 VanDerWaalsContact O-N 3.09Å; I148-I221 HydrophobicContact CG2-CB 4.41Å; I148-I221 HydrophobicContact CG2-CD1 3.35Å; I148-I221 HydrophobicContact CG2-CG1 3.48Å; I148-I221 VanDerWaalsContact CG2-CG1 3.48Å; I148-I221 HydrophobicContact CG2-CG2 4.22Å; I148-Q224 HydrophobicContact CD1-CG 4.45Å
149N59.6Low70.2Confident84 Ų8453.2 Ų53.245%0.44929%0.293SS..  trans-80.482163.1-68.2-14.9000107.4E151 F152N149-E151 PolarHBondContact O-N 2.86Å; N149-E151 VanDerWaalsContact O-N 3.17Å; N149-F152 HydrophobicContact CB-CB 4.09Å; N149-F152 PolarHBondContact O-N 3.34Å
150A51.2Low67.4Low32 Ų3257.7 Ų57.726%0.26432%0.32SS..Hα-helixtrans-53.5-39.6-17500000111.9I148 F152 I153 F154 I221I148-A150 VanDerWaalsContact C-N 3.26Å; I148-A150 HydrophobicContact CG2-CB 4.24Å; I148-A150 PolarHBondContact O-N 3.07Å; I148-A150 VanDerWaalsContact O-N 3.09Å; A150-F152 VanDerWaalsContact C-N 3.34Å; A150-F152 PolarHBondContact O-N 3.36Å; A150-I153 PolarHBondContact O-N 2.82Å; A150-F154 HydrophobicContact CB-CD2 4.41Å; A150-F154 HydrophobicContact CB-CE2 4.45Å; A150-F154 WeakPolarHBondContact O-CD2 3.24Å; A150-F154 PolarHBondContact O-N 2.87Å; A150-F154 VanDerWaalsContact O-N 3.11Å; A150-I221 HydrophobicContact CB-CD1 4.41Å
151E49.1Very low64.3Low98 Ų9863.4 Ų63.446%0.45836%0.356SS..Hα-helixtrans-66.9-29.1-179.6-64.7-58.9148.900114N149 I153 F154 N155N149-E151 PolarHBondContact O-N 2.86Å; N149-E151 VanDerWaalsContact O-N 3.17Å; E151-I153 PolarHBondContact O-N 2.82Å; E151-F154 PolarHBondContact O-N 2.98Å; E151-N155 CarbonylContact O-C 3.59Å; E151-N155 WeakPolarHBondContact O-CA 3.38Å; E151-N155 PolarHBondContact O-N 3.48Å
152F50.3Low61.5Low138 Ų13866.9 Ų66.961%0.60538%0.377SS*.Hα-helixtrans-66.6-29.1177.2-163.3-91.3000111.5N149 A150N149-F152 HydrophobicContact CB-CB 4.09Å; N149-F152 PolarHBondContact O-N 3.34Å; A150-F152 VanDerWaalsContact C-N 3.34Å; A150-F152 PolarHBondContact O-N 3.36Å
153I51Low59Low105 Ų10573.1 Ų73.154%0.53842%0.421SS..Hα-helixtrans-84.6-37.2179.1-72.7167.8000111.2A150 E151 I221A150-I153 PolarHBondContact O-N 2.82Å; E151-I153 PolarHBondContact O-N 2.82Å; I153-I221 HydrophobicContact CB-CD1 3.93Å; I153-I221 HydrophobicContact CD1-CD1 3.41Å; I153-I221 VanDerWaalsContact CD1-CD1 3.41Å; I153-I221 HydrophobicContact CD1-CG1 3.99Å; I153-I221 HydrophobicContact CG1-CD1 4.19Å; I153-I221 HydrophobicContact CG2-CD1 4.13Å
154F47.8Very low56.3Low144 Ų14476.4 Ų76.463%0.63244%0.44SS*.Hα-helixtrans-87.4-23.5-178.9-66.6-63.2000114.4A150 E151 I221A150-F154 HydrophobicContact CB-CD2 4.41Å; A150-F154 HydrophobicContact CB-CE2 4.45Å; A150-F154 WeakPolarHBondContact O-CD2 3.24Å; A150-F154 PolarHBondContact O-N 2.87Å; A150-F154 VanDerWaalsContact O-N 3.11Å; E151-F154 PolarHBondContact O-N 2.98Å; F154-I221 HydrophobicContact CE2-CD1 4.33Å; F154-I221 HydrophobicContact CE2-CG2 4.41Å
155N41.1Very low53.6Low60 Ų6083.2 Ų83.232%0.32148%0.478SS..  trans-149.776.2-180-151.6-18.2000112.9E151 T157 L158E151-N155 CarbonylContact O-C 3.59Å; E151-N155 WeakPolarHBondContact O-CA 3.38Å; E151-N155 PolarHBondContact O-N 3.48Å; N155-T157 PolarHBondContact O-N 2.89Å; N155-T157 PolarHBondContact OD1-OG1 2.86Å; N155-L158 HydrophobicContact CB-CD1 3.75Å; N155-L158 WeakPolarHBondContact ND2-CD1 3.47Å; N155-L158 PolarHBondContact O-N 3.18Å
156P51.8Low51.5Low82 Ų8288 Ų8853%0.53251%0.507SS..G310 helixtrans-59.6-18178.223.7-33.3000113
157T53.3Low49.8Very low93 Ų9394.2 Ų94.257%0.57154%0.536SS*.G310 helixtrans-76.9-17.1178.369.90000114.1N155 A159 T160N155-T157 PolarHBondContact O-N 2.89Å; N155-T157 PolarHBondContact OD1-OG1 2.86Å; T157-A159 PolarHBondContact O-N 3Å; T157-A159 VanDerWaalsContact O-N 3.17Å; T157-T160 PolarHBondContact O-N 3.46Å; T157-T160 PolarHBondContact O-OG1 3.16Å
158L46.2Very low48.5Very low77 Ų7798.3 Ų98.340%0.40355%0.554SS.*G310 helixtrans-68.4-10.3174.7-104.496.2000113.7N155 T160N155-L158 HydrophobicContact CB-CD1 3.75Å; N155-L158 WeakPolarHBondContact ND2-CD1 3.47Å; N155-L158 PolarHBondContact O-N 3.18Å; L158-T160 PolarHBondContact O-N 2.98Å
159A45.8Very low48.3Very low62 Ų62101 Ų10151%0.51257%0.573SS.*G310 helixtrans-70.4-12.7173.400000113.2T157T157-A159 PolarHBondContact O-N 3Å; T157-A159 VanDerWaalsContact O-N 3.17Å
160T39.8Very low48.9Very low94 Ų9498.6 Ų98.658%0.57756%0.562SS**SBendtrans-139.6120.4-178.746.80000108.5T157 L158T157-T160 PolarHBondContact O-N 3.46Å; T157-T160 PolarHBondContact O-OG1 3.16Å; L158-T160 PolarHBondContact O-N 2.98Å
161T34.7Very low50.4Low141 Ų141102.5 Ų102.587%0.86558%0.578SS**  trans8358.8177.482.70000117
162T38.2Very low52.3Low75 Ų7599.3 Ų99.346%0.4656%0.562SS.*  trans-120.2121.4133.7410000107.4T164T162-T164 CarbonylContact O-C 3.45Å; T162-T164 PolarHBondContact O-N 2.86Å; T162-T164 PolarHBondContact OG1-O 2.88Å
163S45.5Very low54.4Low134 Ų13493.8 Ų93.894%0.93754%0.537SS*.SBendtrans-634174.245.60000113.4
164T42.2Very low56.5Low87 Ų8788.8 Ų88.853%0.53451%0.511SS..SBendtrans-110.8101.7163.2540000107.1T162 T166T162-T164 CarbonylContact O-C 3.45Å; T162-T164 PolarHBondContact O-N 2.86Å; T162-T164 PolarHBondContact OG1-O 2.88Å; T164-T166 PolarHBondContact O-N 2.96Å
165N40.7Very low58.9Low159 Ų15981.9 Ų81.985%0.8548%0.481SS*.  trans-69.732.9-174.2-144.213.9000113.5M167N165-M167 PolarHBondContact O-N 2.91Å
166T49.6Very low61.6Low106 Ų10679 Ų7965%0.6547%0.466SS*.  trans-91.188.9-175.354.70000108.7T164 I168T164-T166 PolarHBondContact O-N 2.96Å; T166-I168 PolarHBondContact O-N 2.95Å; T166-I168 VanDerWaalsContact O-N 3.15Å
167M53.7Low63.9Low149 Ų14975.1 Ų75.173%0.73444%0.441SS*.PPolyproline II helixtrans-49.1118.8160.1-72.9-91110.400107.8N165N165-M167 PolarHBondContact O-N 2.91Å
168I55.5Low66Low119 Ų11970.7 Ų70.761%0.6141%0.414SS*.PPolyproline II helixtrans-64.9122.9173.7-60.2172.8000106.2T166T166-I168 PolarHBondContact O-N 2.95Å; T166-I168 VanDerWaalsContact O-N 3.15Å
169P67Low68.4Low83 Ų8367.8 Ų67.854%0.53940%0.399SS..PPolyproline II helixtrans-62.7146.1-177.926-33.6000110.1
170P72.5Confident70.8Confident33 Ų3366.1 Ų66.121%0.21438%0.382CS..PPolyproline II helixtrans-61.2144.2177.525.5-33.6000111Y102 K172Y102-P170 HydrophobicContact CD1-CB 4.16Å; Y102-P170 HydrophobicContact CD1-CG 3.6Å; Y102-P170 HydrophobicContact CE1-CB 3.6Å; Y102-P170 HydrophobicContact CE1-CG 3.6Å; P170-K172 PolarHBondContact O-N 2.88Å; P170-K172 VanDerWaalsContact O-N 3.14Å
171I81.8Confident73.6Confident114 Ų11463 Ų6359%0.58536%0.364SS*.  trans-72.2109.1174.7-55.8176.1000108.2Y102 R173Y102-I171 PolarHBondContact OH-O 2.81Å; I171-R173 HydrophobicContact CG2-CG 4.01Å
172K90.9Very high76.6Confident30 Ų3058.2 Ų58.213%0.1333%0.333CS..  trans-81.6121.4177.5-50.7-167.5-163.81200109.2Y102 M105 W144 P170 R187 E188 W197Y102-K172 HydrophobicContact CD1-CD 4.45Å; Y102-K172 HydrophobicContact CD1-CG 4.17Å; Y102-K172 HydrophobicContact CD2-CB 4.15Å; Y102-K172 HydrophobicContact CD2-CD 3.83Å; Y102-K172 HydrophobicContact CD2-CG 3.78Å; Y102-K172 HydrophobicContact CE1-CG 4.29Å; Y102-K172 HydrophobicContact CE2-CB 3.96Å; Y102-K172 HydrophobicContact CE2-CD 4.45Å; Y102-K172 HydrophobicContact CE2-CG 3.91Å; Y102-K172 HydrophobicContact CG-CD 3.84Å; Y102-K172 HydrophobicContact CG-CG 3.93Å; M105-K172 HydrophobicContact CE-CD 3.84Å; M105-K172 HydrophobicContact SD-CD 4.24Å; W144-K172 HydrophobicContact CZ3-CB 4.41Å; P170-K172 PolarHBondContact O-N 2.88Å; P170-K172 VanDerWaalsContact O-N 3.14Å; K172-R187 WeakPolarHBondContact O-CA 3.3Å; K172-E188 HydrophobicContact CB-CB 4.11Å; K172-E188 WeakPolarHBondContact CD-OE2 3.45Å; K172-E188 VanDerWaalsContact CE-OE2 3.3Å; K172-E188 WeakPolarHBondContact CE-OE2 3.36Å; K172-E188 WeakPolarHBondContact CG-OE2 3.37Å; K172-E188 IonicContact NZ-OE1 3.45Å; K172-E188 PolarHBondContact NZ-OE1 2.88Å; K172-E188 IonicContact NZ-OE2 2.67Å; K172-E188 PolarHBondContact NZ-OE2 3.46Å; K172-E188 PolarHBondContact O-N 2.95Å; K172-W197 HydrophobicContact CB-CH2 3.85Å; K172-W197 HydrophobicContact CB-CZ2 4.39Å
173R93.3Very high79.4Confident22 Ų2254.7 Ų54.78%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-129.4150.5175.6-63.1171.283.1-156.911.8110.5A145 I171 W186 R187 E200 W215A145-R173 HydrophobicContact CB-CB 3.7Å; A145-R173 VanDerWaalsContact CB-O 3.28Å; A145-R173 WeakPolarHBondContact CB-O 3.32Å; A145-R173 PolarHBondContact N-O 2.6Å; I171-R173 HydrophobicContact CG2-CG 4.01Å; R173-W186 WeakPolarHBondContact CA-O 3.3Å; R173-R187 HydrophobicContact CG-CB 4.08Å; R173-E200 IonicContact CZ-OE1 3.66Å; R173-E200 IonicContact CZ-OE2 2.73Å; R173-E200 VanDerWaalsContact CZ-OE2 3.27Å; R173-E200 IonicContact NE-OE1 2.81Å; R173-E200 IonicContact NE-OE2 3.57Å; R173-E200 PolarHBondContact NE-OE2 2.8Å; R173-E200 IonicContact NH2-OE1 3.84Å; R173-E200 PolarHBondContact NH2-OE1 3.31Å; R173-E200 IonicContact NH2-OE2 3.91Å; R173-E200 PolarHBondContact NH2-OE2 3.19Å; R173-W215 HydrophobicContact CB-CH2 3.9Å; R173-W215 HydrophobicContact CB-CZ3 4.09Å
174L95.9Very high81.9Confident0 Ų048.9 Ų48.90%027%0.269CS..EExtended strand (participates in β ladder)trans-142.7153.7170.564.590.6000109.2I115 I117 V142 S143 W144 W186 W197I115-L174 HydrophobicContact CD1-CD1 4.33Å; I117-L174 HydrophobicContact CD1-CD2 3.56Å; V142-L174 HydrophobicContact CG2-CB 4.45Å; V142-L174 HydrophobicContact CG2-CD1 3.87Å; S143-L174 CarbonylContact O-C 3.57Å; S143-L174 WeakPolarHBondContact O-CA 3.41Å; W144-L174 HydrophobicContact CD2-CB 4.24Å; W144-L174 HydrophobicContact CE3-CB 4.1Å; W144-L174 HydrophobicContact CH2-CD2 3.94Å; W144-L174 HydrophobicContact CZ2-CD2 4.17Å; W144-L174 HydrophobicContact CZ3-CB 4.48Å; W144-L174 HydrophobicContact CZ3-CD2 4.18Å; L174-W186 HydrophobicContact CD1-CB 4Å; L174-W186 HydrophobicContact CD1-CG 3.92Å; L174-W186 HydrophobicContact CG-CB 4.06Å; L174-W186 PolarHBondContact N-O 2.82Å; L174-W186 PolarHBondContact O-N 3.09Å; L174-W197 HydrophobicContact CD2-CE3 4.06Å; L174-W197 HydrophobicContact CD2-CH2 3.84Å; L174-W197 HydrophobicContact CD2-CZ2 4.46Å; L174-W197 HydrophobicContact CD2-CZ3 3.6Å; L174-W197 HydrophobicContact CG-CE3 4.48Å; L174-W197 HydrophobicContact CG-CZ3 3.96Å
175V97.8Very high84.5Confident0 Ų044.8 Ų44.80%024%0.244CC..EExtended strand (participates in β ladder)trans-110.2141.9172.763.80000109.2V142 S143 I183 K184 I185 V213 W215 I226V142-V175 CarbonylContact C-O 3.58Å; V142-V175 WeakPolarHBondContact CA-O 3.37Å; S143-V175 PolarHBondContact N-O 3.41Å; S143-V175 PolarHBondContact O-N 3.42Å; V175-I183 HydrophobicContact CG2-CG2 3.35Å; V175-K184 CarbonylContact C-O 3.54Å; V175-K184 WeakPolarHBondContact CA-O 3.16Å; V175-I185 HydrophobicContact CB-CG1 4.44Å; V175-I185 HydrophobicContact CG2-CG1 4.23Å; V175-V213 HydrophobicContact CG1-CB 4.28Å; V175-V213 HydrophobicContact CG1-CG2 4.07Å; V175-V213 HydrophobicContact CG2-CB 4.45Å; V175-V213 HydrophobicContact CG2-CG2 4.43Å; V175-W215 HydrophobicContact CB-CE3 3.73Å; V175-W215 HydrophobicContact CB-CZ3 3.96Å; V175-W215 HydrophobicContact CG1-CB 4.3Å; V175-W215 HydrophobicContact CG1-CD2 4.47Å; V175-W215 HydrophobicContact CG1-CE3 3.74Å; V175-W215 HydrophobicContact CG1-CZ3 4.47Å; V175-I226 HydrophobicContact CB-CD1 4.2Å; V175-I226 HydrophobicContact CG1-CG2 4.28Å; V175-I226 HydrophobicContact CG2-CD1 4.13Å; V175-I226 HydrophobicContact CG2-CG2 4.2Å
176S98.5Very high87.1Confident0 Ų037.7 Ų37.70%021%0.205CC..EExtended strand (participates in β ladder)trans-127.8146.9173.564.30000111.6H135 S141 I183 K184 W186H135-S176 PolarHBondContact NE2-OG 3.19Å; S141-S176 VanDerWaalsContact O-CA 3.28Å; S141-S176 WeakPolarHBondContact O-CA 3.24Å; S176-I183 CarbonylContact O-C 3.5Å; S176-I183 VanDerWaalsContact O-CA 3.3Å; S176-I183 WeakPolarHBondContact O-CA 3.31Å; S176-K184 PolarHBondContact N-O 2.97Å; S176-K184 PolarHBondContact O-N 3.19Å; S176-W186 PolarHBondContact OG-NE1 2.89Å
177G98.3Very high89.1Confident0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-118.7135.6172.800000110.6N140 S141N140-G177 PolarHBondContact N-O 3.24Å; S141-G177 PolarHBondContact N-O 2.71Å; S141-G177 PolarHBondContact O-N 3.18Å
178G97.7Very high90.8Very high0 Ų031 Ų310%016%0.161CC..EExtended strand (participates in β ladder)trans-125.5172-174.200000115.9H135 G138 D180 S181 L182 V210H135-G178 PolarHBondContact CE1-N 2.82Å; H135-G178 WeakPolarHBondContact ND1-CA 3.45Å; G138-G178 CarbonylContact O-C 3.53Å; G138-G178 WeakPolarHBondContact O-CA 3.46Å; G178-D180 PolarHBondContact O-N 3.32Å; G178-S181 PolarHBondContact O-N 3.24Å; G178-L182 PolarHBondContact N-O 2.63Å; G178-L182 VanDerWaalsContact N-O 3.16Å; G178-V210 PolarHBondContact O-N 2.68Å
179C97.3Very high92.3Very high15 Ų1527.4 Ų27.410%0.10114%0.143CC..THydrogen-bonded Turntrans-74.8-0.6173-63.40000113.3V137 G138 N140 S181 W209V137-C179 HydrophobicContact CB-CB 3.76Å; V137-C179 HydrophobicContact CG1-CB 3.55Å; G138-C179 PolarHBondContact O-N 2.8Å; N140-C179 PolarHBondContact ND2-SG 2.92Å; N140-C179 PolarHBondContact OD1-SG 2.85Å; N140-C179 VanDerWaalsContact OD1-SG 3.39Å; C179-S181 VanDerWaalsContact C-N 3.28Å; C179-W209 HydrophobicContact CB-CD2 4.12Å; C179-W209 HydrophobicContact CB-CG 4.03Å; C179-W209 PolarHBondContact O-NE1 2.92Å
180D97.1Very high93.1Very high27 Ų2727.1 Ų27.114%0.14414%0.14CC..THydrogen-bonded Turntrans-89.69.4172.957.40.7000112.7H135 S136 G178 L182H135-D180 WeakPolarHBondContact CA-OD2 3.33Å; H135-D180 WeakPolarHBondContact CB-OD2 3.39Å; H135-D180 IonicContact CE1-OD1 3.7Å; H135-D180 IonicContact CG-OD1 2.68Å; H135-D180 IonicContact CG-OD2 3.5Å; H135-D180 VanDerWaalsContact ND1-CG 3.29Å; H135-D180 IonicContact ND1-OD1 2.88Å; H135-D180 PolarHBondContact ND1-OD1 2.74Å; H135-D180 IonicContact ND1-OD2 2.98Å; H135-D180 PolarHBondContact ND1-OD2 2.95Å; H135-D180 VanDerWaalsContact ND1-OD2 3.08Å; S136-D180 PolarHBondContact N-OD2 2.87Å; S136-D180 WeakPolarHBondContact OG-CB 3.44Å; G178-D180 PolarHBondContact O-N 3.32Å; D180-L182 HydrophobicContact CB-CG 4.36Å; D180-L182 PolarHBondContact O-N 3.31Å; D180-L182 WeakPolarHBondContact OD1-CB 3.39Å; D180-L182 PolarHBondContact OD1-N 3.25Å
181S97.2Very high93.4Very high30 Ų3030.2 Ų30.221%0.2116%0.162CC..SBendtrans67.17.6-176-37.70000114.3G178 C179 D208G178-S181 PolarHBondContact O-N 3.24Å; C179-S181 VanDerWaalsContact C-N 3.28Å; S181-D208 WeakPolarHBondContact CA-O 3.36Å; S181-D208 WeakPolarHBondContact CB-O 3.35Å; S181-D208 WeakPolarHBondContact OG-CA 3.37Å; S181-D208 PolarHBondContact OG-O 2.9Å
182L97.6Very high93Very high40 Ų4028 Ų2821%0.20916%0.157CC..EExtended strand (participates in β ladder)trans-98.1150.1-177.9-54.6-179.8000111.1H135 G178 D180 D204H135-L182 PolarHBondContact CE1-O 3.1Å; H135-L182 VanDerWaalsContact CE1-O 3.28Å; G178-L182 PolarHBondContact N-O 2.63Å; G178-L182 VanDerWaalsContact N-O 3.16Å; D180-L182 HydrophobicContact CB-CG 4.36Å; D180-L182 PolarHBondContact O-N 3.31Å; D180-L182 WeakPolarHBondContact OD1-CB 3.39Å; D180-L182 PolarHBondContact OD1-N 3.25Å; L182-D204 WeakPolarHBondContact CD2-OD1 3.47Å
183I98Very high92.1Very high0 Ų029.9 Ų29.90%019%0.185CC..EExtended strand (participates in β ladder)trans-114133.1162.8-62.1153.1000107V175 S176 L203 V210 V213 S228 W238V175-I183 HydrophobicContact CG2-CG2 3.35Å; S176-I183 CarbonylContact O-C 3.5Å; S176-I183 VanDerWaalsContact O-CA 3.3Å; S176-I183 WeakPolarHBondContact O-CA 3.31Å; I183-L203 HydrophobicContact CB-CB 3.93Å; I183-L203 HydrophobicContact CG2-CB 4.3Å; I183-L203 HydrophobicContact CG2-CD1 4Å; I183-L203 PolarHBondContact N-O 2.56Å; I183-L203 VanDerWaalsContact N-O 3.13Å; I183-L203 WeakPolarHBondContact O-CB 3.14Å; I183-L203 PolarHBondContact O-N 2.9Å; I183-V210 HydrophobicContact CD1-CG1 4.43Å; I183-V210 HydrophobicContact CD1-CG2 4.47Å; I183-V210 HydrophobicContact CG1-CG1 3.96Å; I183-V210 HydrophobicContact CG1-CG2 3.96Å; I183-V213 HydrophobicContact CD1-CG1 4.41Å; I183-V213 HydrophobicContact CG1-CG1 3.95Å; I183-V213 HydrophobicContact CG2-CG1 4.19Å; I183-S228 WeakPolarHBondContact CD1-OG 3.18Å; I183-W238 HydrophobicContact CD1-CZ2 3.63Å
184K97.6Very high91.4Very high13 Ų1334 Ų346%0.05721%0.209CC..EExtended strand (participates in β ladder)trans-126.1137.7-176.7-66.8179.6173.7-170.70110.5A134 V175 S176 W186 E199 T201 R202A134-K184 WeakPolarHBondContact O-CD 3.46Å; A134-K184 WeakPolarHBondContact O-CE 3.42Å; A134-K184 PolarHBondContact O-NZ 2.93Å; V175-K184 CarbonylContact C-O 3.54Å; V175-K184 WeakPolarHBondContact CA-O 3.16Å; S176-K184 PolarHBondContact N-O 2.97Å; S176-K184 PolarHBondContact O-N 3.19Å; K184-W186 HydrophobicContact CB-CZ2 3.98Å; K184-W186 HydrophobicContact CD-CH2 4.32Å; K184-W186 HydrophobicContact CD-CZ2 3.71Å; K184-E199 WeakPolarHBondContact CD-OE1 3.38Å; K184-E199 WeakPolarHBondContact CE-OE1 3.3Å; K184-E199 WeakPolarHBondContact CG-OE1 3.36Å; K184-E199 IonicContact NZ-OE1 2.97Å; K184-E199 IonicContact NZ-OE2 3.61Å; K184-T201 WeakPolarHBondContact CA-O 3.5Å; K184-R202 HydrophobicContact CG-CG 4.37Å
185I96.1Very high90.7Very high0 Ų035.7 Ų35.70%022%0.22CC..EExtended strand (participates in β ladder)trans-104.5129173.4-62.1172.9000108.1V175 E200 T201 L203 W215 I226 W290V175-I185 HydrophobicContact CB-CG1 4.44Å; V175-I185 HydrophobicContact CG2-CG1 4.23Å; I185-E200 HydrophobicContact CG2-CB 4.45Å; I185-E200 PolarHBondContact O-N 2.92Å; I185-T201 PolarHBondContact N-O 3.1Å; I185-T201 PolarHBondContact O-N 2.77Å; I185-L203 HydrophobicContact CD1-CD1 4.12Å; I185-L203 HydrophobicContact CG1-CD1 4.48Å; I185-W215 HydrophobicContact CD1-CH2 4.42Å; I185-W215 HydrophobicContact CG1-CZ3 4.49Å; I185-W215 HydrophobicContact CG2-CH2 3.83Å; I185-W215 HydrophobicContact CG2-CZ3 4.01Å; I185-I226 HydrophobicContact CD1-CD1 3.77Å; I185-I226 HydrophobicContact CG1-CD1 4.19Å; I185-W290 HydrophobicContact CD1-CD2 4.14Å; I185-W290 HydrophobicContact CD1-CH2 4.34Å; I185-W290 HydrophobicContact CD1-CZ2 3.48Å; I185-W290 VanDerWaalsContact CD1-CZ2 3.48Å; I185-W290 VanDerWaalsContact CD1-NE1 3.33Å
186W95.2Very high90.2Very high11 Ų1140.7 Ų40.74%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-113142.2-179.6-51.683.7000109.4I131 A134 R173 L174 S176 K184 W197 I198 E199I131-W186 HydrophobicContact CD1-CB 4.5Å; I131-W186 HydrophobicContact CD1-CD2 4.21Å; I131-W186 HydrophobicContact CD1-CE3 4.23Å; I131-W186 HydrophobicContact CD1-CG 4.32Å; I131-W186 HydrophobicContact CG2-CD2 4.28Å; I131-W186 HydrophobicContact CG2-CE3 3.68Å; I131-W186 HydrophobicContact CG2-CH2 3.82Å; I131-W186 HydrophobicContact CG2-CZ2 4.37Å; I131-W186 HydrophobicContact CG2-CZ3 3.41Å; I131-W186 VanDerWaalsContact CG2-CZ3 3.41Å; A134-W186 HydrophobicContact CB-CH2 3.99Å; A134-W186 HydrophobicContact CB-CZ2 3.61Å; R173-W186 WeakPolarHBondContact CA-O 3.3Å; L174-W186 HydrophobicContact CD1-CB 4Å; L174-W186 HydrophobicContact CD1-CG 3.92Å; L174-W186 HydrophobicContact CG-CB 4.06Å; L174-W186 PolarHBondContact N-O 2.82Å; L174-W186 PolarHBondContact O-N 3.09Å; S176-W186 PolarHBondContact OG-NE1 2.89Å; K184-W186 HydrophobicContact CB-CZ2 3.98Å; K184-W186 HydrophobicContact CD-CH2 4.32Å; K184-W186 HydrophobicContact CD-CZ2 3.71Å; W186-W197 HydrophobicContact CB-CE3 3.92Å; W186-W197 HydrophobicContact CB-CZ3 4.39Å; W186-I198 WeakPolarHBondContact CA-O 3.27Å; W186-E199 HydrophobicContact CE3-CB 4.02Å; W186-E199 HydrophobicContact CH2-CB 4.15Å; W186-E199 HydrophobicContact CH2-CG 4.43Å; W186-E199 HydrophobicContact CZ3-CB 3.69Å; W186-E199 HydrophobicContact CZ3-CG 4.4Å
187R91.9Very high89.9Confident90 Ų9042 Ų4234%0.3425%0.249SC..EExtended strand (participates in β ladder)trans-124.9143.717270179.6-169.3-97.22.6110.2K172 R173 D189 W197 I198 E200K172-R187 WeakPolarHBondContact O-CA 3.3Å; R173-R187 HydrophobicContact CG-CB 4.08Å; R187-D189 PolarHBondContact O-N 2.81Å; R187-W197 WeakPolarHBondContact O-CA 3.4Å; R187-I198 HydrophobicContact CG-CD1 4.18Å; R187-I198 HydrophobicContact CG-CG1 3.6Å; R187-I198 PolarHBondContact N-O 2.9Å; R187-I198 PolarHBondContact O-N 2.91Å; R187-E200 HydrophobicContact CG-CB 4.24Å
188E90.9Very high89.7Confident23 Ų2344.3 Ų44.311%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-73.9120.4166.9-170.4-176.3-154.800108.6K172 T190 S195 E196 W197K172-E188 HydrophobicContact CB-CB 4.11Å; K172-E188 WeakPolarHBondContact CD-OE2 3.45Å; K172-E188 VanDerWaalsContact CE-OE2 3.3Å; K172-E188 WeakPolarHBondContact CE-OE2 3.36Å; K172-E188 WeakPolarHBondContact CG-OE2 3.37Å; K172-E188 IonicContact NZ-OE1 3.45Å; K172-E188 PolarHBondContact NZ-OE1 2.88Å; K172-E188 IonicContact NZ-OE2 2.67Å; K172-E188 PolarHBondContact NZ-OE2 3.46Å; K172-E188 PolarHBondContact O-N 2.95Å; E188-T190 HydrophobicContact CG-CG2 4.18Å; E188-S195 WeakPolarHBondContact OE1-CB 3.4Å; E188-S195 PolarHBondContact OE1-OG 3.41Å; E188-E196 CarbonylContact C-O 3.59Å; E188-E196 WeakPolarHBondContact CA-O 3.19Å; E188-W197 HydrophobicContact CB-CD2 4.3Å; E188-W197 HydrophobicContact CB-CE3 4.43Å; E188-W197 HydrophobicContact CB-CH2 4.12Å; E188-W197 HydrophobicContact CB-CZ2 3.99Å; E188-W197 HydrophobicContact CB-CZ3 4.35Å
189D86.2Confident89.5Confident45 Ų4547 Ų4724%0.24127%0.273CS..EExtended strand (participates in β ladder)trans-98127.6167.6-165.2-6.5000108.9R187 S191 E196 I198R187-D189 PolarHBondContact O-N 2.81Å; D189-S191 WeakPolarHBondContact OD1-CB 3.31Å; D189-S191 PolarHBondContact OD1-N 2.93Å; D189-S191 PolarHBondContact OD1-OG 2.84Å; D189-S191 PolarHBondContact OD2-OG 2.75Å; D189-S191 VanDerWaalsContact OD2-OG 3.12Å; D189-E196 PolarHBondContact N-O 3.24Å; D189-E196 PolarHBondContact O-N 3.14Å; D189-I198 HydrophobicContact CB-CD1 3.7Å; D189-I198 HydrophobicContact CB-CG1 4.07Å; D189-I198 HydrophobicContact CB-CG2 4.43Å
190T84.4Confident89.1Confident76 Ų7648.5 Ų48.547%0.46628%0.278SS..  trans-1143.7177.653.80000111.7E188 S192 G193E188-T190 HydrophobicContact CG-CG2 4.18Å; T190-S192 VanDerWaalsContact C-N 3.27Å; T190-S192 PolarHBondContact O-N 3.22Å; T190-G193 PolarHBondContact O-N 3.03Å; T190-G193 VanDerWaalsContact O-N 3.14Å
191S78.1Confident88.9Confident99 Ų9948.6 Ų48.669%0.69228%0.28SS*.THydrogen-bonded Turntrans-64.1-30.1-17664.30000113.3D189 G193D189-S191 WeakPolarHBondContact OD1-CB 3.31Å; D189-S191 PolarHBondContact OD1-N 2.93Å; D189-S191 PolarHBondContact OD1-OG 2.84Å; D189-S191 PolarHBondContact OD2-OG 2.75Å; D189-S191 VanDerWaalsContact OD2-OG 3.12Å; S191-G193 VanDerWaalsContact C-N 3.25Å; S191-G193 PolarHBondContact O-N 2.78Å
192S72.9Confident88.8Confident68 Ų6854.3 Ų54.348%0.47630%0.297SS..THydrogen-bonded Turntrans-80.6-0.7178.661.50000113.9T190 N194T190-S192 VanDerWaalsContact C-N 3.27Å; T190-S192 PolarHBondContact O-N 3.22Å; S192-N194 PolarHBondContact O-N 2.86Å; S192-N194 PolarHBondContact OG-O 3.01Å
193G72.4Confident88.7Confident69 Ų6952.7 Ų52.771%0.71129%0.289SS*.SBendtrans80.5-16.9-173.700000114T190 S191T190-G193 PolarHBondContact O-N 3.03Å; T190-G193 VanDerWaalsContact O-N 3.14Å; S191-G193 VanDerWaalsContact C-N 3.25Å; S191-G193 PolarHBondContact O-N 2.78Å
194N78.7Confident88.5Confident109 Ų10958 Ų5858%0.58332%0.317SS*.SBendtrans-101.6141.4167.8-69-24.4000109.2S192 E196S192-N194 PolarHBondContact O-N 2.86Å; S192-N194 PolarHBondContact OG-O 3.01Å; N194-E196 HydrophobicContact CB-CG 4.37Å; N194-E196 PolarHBondContact O-N 3.25Å
195S80.2Confident88.3Confident35 Ų3558.5 Ų58.525%0.24533%0.325CS..  trans-69.5100.2168.7-76.80000109.1E188E188-S195 WeakPolarHBondContact OE1-CB 3.4Å; E188-S195 PolarHBondContact OE1-OG 3.41Å
196E88.2Confident88.4Confident104 Ų10459.1 Ų59.149%0.48633%0.328SS..EExtended strand (participates in β ladder)trans-110.2144.7173.9-69.5-175167.400109.8E188 D189 N194E188-E196 CarbonylContact C-O 3.59Å; E188-E196 WeakPolarHBondContact CA-O 3.19Å; D189-E196 PolarHBondContact N-O 3.24Å; D189-E196 PolarHBondContact O-N 3.14Å; N194-E196 HydrophobicContact CB-CG 4.37Å; N194-E196 PolarHBondContact O-N 3.25Å
197W92.4Very high88.4Confident29 Ų2963.2 Ų63.211%0.1135%0.354CS..EExtended strand (participates in β ladder)trans-102.6120.8177.1-76.684.6000108.9I117 I131 W144 K172 L174 W186 R187 E188I117-W197 HydrophobicContact CG1-CZ2 4.4Å; I117-W197 HydrophobicContact CG2-CZ2 4.49Å; I131-W197 HydrophobicContact CD1-CB 3.49Å; I131-W197 VanDerWaalsContact CD1-CB 3.49Å; I131-W197 HydrophobicContact CD1-CD2 4.15Å; I131-W197 HydrophobicContact CD1-CE3 4.37Å; I131-W197 HydrophobicContact CD1-CG 3.79Å; I131-W197 HydrophobicContact CG1-CB 3.69Å; I131-W197 HydrophobicContact CG1-CG 4.11Å; W144-W197 AromaticContact CH2-CH2 3.69Å; W144-W197 HydrophobicContact CH2-CH2 3.69Å; W144-W197 AromaticContact CH2-CZ2 3.83Å; W144-W197 HydrophobicContact CH2-CZ2 3.83Å; W144-W197 AromaticContact CZ3-CH2 3.55Å; W144-W197 HydrophobicContact CZ3-CH2 3.55Å; W144-W197 HydrophobicContact CZ3-CZ2 4.11Å; K172-W197 HydrophobicContact CB-CH2 3.85Å; K172-W197 HydrophobicContact CB-CZ2 4.39Å; L174-W197 HydrophobicContact CD2-CE3 4.06Å; L174-W197 HydrophobicContact CD2-CH2 3.84Å; L174-W197 HydrophobicContact CD2-CZ2 4.46Å; L174-W197 HydrophobicContact CD2-CZ3 3.6Å; L174-W197 HydrophobicContact CG-CE3 4.48Å; L174-W197 HydrophobicContact CG-CZ3 3.96Å; W186-W197 HydrophobicContact CB-CE3 3.92Å; W186-W197 HydrophobicContact CB-CZ3 4.39Å; R187-W197 WeakPolarHBondContact O-CA 3.4Å; E188-W197 HydrophobicContact CB-CD2 4.3Å; E188-W197 HydrophobicContact CB-CE3 4.43Å; E188-W197 HydrophobicContact CB-CH2 4.12Å; E188-W197 HydrophobicContact CB-CZ2 3.99Å; E188-W197 HydrophobicContact CB-CZ3 4.35Å
198I92.8Very high88.7Confident47 Ų4761.9 Ų61.924%0.24135%0.354CS..EExtended strand (participates in β ladder)trans-116.4145.5-17862.4179.4000110.8W186 R187 D189 E200W186-I198 WeakPolarHBondContact CA-O 3.27Å; R187-I198 HydrophobicContact CG-CD1 4.18Å; R187-I198 HydrophobicContact CG-CG1 3.6Å; R187-I198 PolarHBondContact N-O 2.9Å; R187-I198 PolarHBondContact O-N 2.91Å; D189-I198 HydrophobicContact CB-CD1 3.7Å; D189-I198 HydrophobicContact CB-CG1 4.07Å; D189-I198 HydrophobicContact CB-CG2 4.43Å; I198-E200 PolarHBondContact O-N 3Å
199E93.8Very high89Confident56 Ų5665.9 Ų65.926%0.26237%0.368SS..EExtended strand (participates in β ladder)trans-71115.9174.6-173171.9-170.500109.5K184 W186 R202K184-E199 WeakPolarHBondContact CD-OE1 3.38Å; K184-E199 WeakPolarHBondContact CE-OE1 3.3Å; K184-E199 WeakPolarHBondContact CG-OE1 3.36Å; K184-E199 IonicContact NZ-OE1 2.97Å; K184-E199 IonicContact NZ-OE2 3.61Å; W186-E199 HydrophobicContact CE3-CB 4.02Å; W186-E199 HydrophobicContact CH2-CB 4.15Å; W186-E199 HydrophobicContact CH2-CG 4.43Å; W186-E199 HydrophobicContact CZ3-CB 3.69Å; W186-E199 HydrophobicContact CZ3-CG 4.4Å; E199-R202 WeakPolarHBondContact OE1-CD 3.38Å; E199-R202 WeakPolarHBondContact OE1-CG 3.28Å; E199-R202 IonicContact OE1-CZ 3.74Å; E199-R202 IonicContact OE1-NE 3.45Å; E199-R202 PolarHBondContact OE1-NE 3.28Å; E199-R202 IonicContact OE1-NH2 3.09Å; E199-R202 IonicContact OE2-CZ 3.55Å; E199-R202 IonicContact OE2-NE 2.71Å; E199-R202 PolarHBondContact OE2-NE 3.24Å; E199-R202 IonicContact OE2-NH2 3.69Å; E199-R202 PolarHBondContact OE2-NH2 2.87Å
200E90.4Very high89.6Confident48 Ų4863.8 Ų63.822%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-90.4-40.9-179.8-178.5-175.6159.100112.1R173 I185 R187 I198R173-E200 IonicContact CZ-OE1 3.66Å; R173-E200 IonicContact CZ-OE2 2.73Å; R173-E200 VanDerWaalsContact CZ-OE2 3.27Å; R173-E200 IonicContact NE-OE1 2.81Å; R173-E200 IonicContact NE-OE2 3.57Å; R173-E200 PolarHBondContact NE-OE2 2.8Å; R173-E200 IonicContact NH2-OE1 3.84Å; R173-E200 PolarHBondContact NH2-OE1 3.31Å; R173-E200 IonicContact NH2-OE2 3.91Å; R173-E200 PolarHBondContact NH2-OE2 3.19Å; I185-E200 HydrophobicContact CG2-CB 4.45Å; I185-E200 PolarHBondContact O-N 2.92Å; R187-E200 HydrophobicContact CG-CB 4.24Å; I198-E200 PolarHBondContact O-N 3Å
201T92.2Very high90.2Very high29 Ų2962.9 Ų62.918%0.17835%0.345CS..EExtended strand (participates in β ladder)trans-151.8140.7-174.9-55.90000111K184 I185 L203K184-T201 WeakPolarHBondContact CA-O 3.5Å; I185-T201 PolarHBondContact N-O 3.1Å; I185-T201 PolarHBondContact O-N 2.77Å; T201-L203 HydrophobicContact CG2-CD2 3.7Å; T201-L203 HydrophobicContact CG2-CG 4.34Å
202R94.3Very high91.2Very high149 Ų14959.2 Ų59.256%0.56232%0.318SS*.EExtended strand (participates in β ladder)trans-103.5133.4168-70178-177-175.82.1109.3K184 E199K184-R202 HydrophobicContact CG-CG 4.37Å; E199-R202 WeakPolarHBondContact OE1-CD 3.38Å; E199-R202 WeakPolarHBondContact OE1-CG 3.28Å; E199-R202 IonicContact OE1-CZ 3.74Å; E199-R202 IonicContact OE1-NE 3.45Å; E199-R202 PolarHBondContact OE1-NE 3.28Å; E199-R202 IonicContact OE1-NH2 3.09Å; E199-R202 IonicContact OE2-CZ 3.55Å; E199-R202 IonicContact OE2-NE 2.71Å; E199-R202 PolarHBondContact OE2-NE 3.24Å; E199-R202 IonicContact OE2-NH2 3.69Å; E199-R202 PolarHBondContact OE2-NH2 2.87Å
203L95.6Very high92.4Very high7 Ų756.1 Ų56.14%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-119.6110.4-179-60.7-175.8000108.6I183 I185 T201 W238 W290I183-L203 HydrophobicContact CB-CB 3.93Å; I183-L203 HydrophobicContact CG2-CB 4.3Å; I183-L203 HydrophobicContact CG2-CD1 4Å; I183-L203 PolarHBondContact N-O 2.56Å; I183-L203 VanDerWaalsContact N-O 3.13Å; I183-L203 WeakPolarHBondContact O-CB 3.14Å; I183-L203 PolarHBondContact O-N 2.9Å; I185-L203 HydrophobicContact CD1-CD1 4.12Å; I185-L203 HydrophobicContact CG1-CD1 4.48Å; T201-L203 HydrophobicContact CG2-CD2 3.7Å; T201-L203 HydrophobicContact CG2-CG 4.34Å; L203-W238 HydrophobicContact CB-CD2 4.3Å; L203-W238 HydrophobicContact CB-CE3 3.91Å; L203-W238 HydrophobicContact CB-CH2 3.86Å; L203-W238 HydrophobicContact CB-CZ2 4.26Å; L203-W238 HydrophobicContact CB-CZ3 3.67Å; L203-W238 HydrophobicContact CD1-CB 4.32Å; L203-W238 HydrophobicContact CD1-CD2 3.87Å; L203-W238 HydrophobicContact CD1-CE3 3.91Å; L203-W238 HydrophobicContact CD1-CG 4.03Å; L203-W238 HydrophobicContact CD2-CE3 4Å; L203-W238 HydrophobicContact CD2-CZ3 4.22Å; L203-W238 HydrophobicContact CG-CE3 4.16Å; L203-W238 HydrophobicContact CG-CZ3 4.35Å; L203-W290 HydrophobicContact CD1-CG 4.42Å; L203-W290 HydrophobicContact CD2-CB 3.42Å; L203-W290 VanDerWaalsContact CD2-CB 3.42Å; L203-W290 HydrophobicContact CD2-CG 3.74Å
204D94.3Very high93.7Very high112 Ų11253.3 Ų53.360%0.59927%0.266SS*.EExtended strand (participates in β ladder)trans-107.4118.5-175.3-55.2-18.9000108.7L182L182-D204 WeakPolarHBondContact CD2-OD1 3.47Å
205G93.5Very high94.5Very high22 Ų2248.6 Ų48.623%0.22724%0.24CC..  trans-167.7-26.7-177.100000114.7R234G205-R234 PolarHBondContact O-NH1 3.37Å
206H97.2Very high95.2Very high14 Ų1447 Ų477%0.06523%0.228CC..  trans-81.8149.2169.4-73.6-80000111.3V210 S228 D232 R234H206-V210 HydrophobicContact CB-CG2 4.04Å; H206-S228 PolarHBondContact NE2-OG 3.31Å; H206-D232 WeakPolarHBondContact CA-OD2 3.49Å; H206-D232 WeakPolarHBondContact CB-OD2 3.21Å; H206-D232 IonicContact CE1-OD1 3.48Å; H206-D232 IonicContact CG-OD2 3.66Å; H206-D232 IonicContact ND1-OD1 3.67Å; H206-D232 PolarHBondContact ND1-OD1 3.48Å; H206-D232 IonicContact ND1-OD2 3Å; H206-D232 PolarHBondContact ND1-OD2 3Å; H206-D232 VanDerWaalsContact ND1-OD2 3.09Å; H206-R234 PolarHBondContact CE1-O 2.85Å
207T96.7Very high95.3Very high96 Ų9644.5 Ų44.559%0.58922%0.221SC*.SBendtrans-105-1.2177.654.60000113.2D232T207-D232 PolarHBondContact N-OD2 3.39Å; T207-D232 WeakPolarHBondContact OG1-CB 3.4Å; T207-D232 PolarHBondContact OG1-OD2 3.36Å
208D97.2Very high94.7Very high63 Ų6344.2 Ų44.234%0.33722%0.224SC..SBendtrans-151.3-175.9178.9-156.7-20.1000108.7S181 V210 Q231 D232S181-D208 WeakPolarHBondContact CA-O 3.36Å; S181-D208 WeakPolarHBondContact CB-O 3.35Å; S181-D208 WeakPolarHBondContact OG-CA 3.37Å; S181-D208 PolarHBondContact OG-O 2.9Å; D208-V210 PolarHBondContact O-N 2.83Å; D208-Q231 HydrophobicContact CB-CB 3.94Å; D208-Q231 HydrophobicContact CB-CG 4.35Å; D208-Q231 VanDerWaalsContact OD2-CG 3.31Å; D208-Q231 WeakPolarHBondContact OD2-CG 3.13Å; D208-D232 HydrophobicContact CB-CB 4.06Å
209W97.7Very high93.6Very high107 Ų10748.6 Ų48.641%0.40525%0.247SC..  trans-50129.7-174.7-64.60.9000112.9C179 R211 G230 Q231C179-W209 HydrophobicContact CB-CD2 4.12Å; C179-W209 HydrophobicContact CB-CG 4.03Å; C179-W209 PolarHBondContact O-NE1 2.92Å; W209-R211 PolarHBondContact O-N 3.2Å; W209-G230 CarbonylContact O-C 3.58Å; W209-G230 WeakPolarHBondContact O-CA 3.48Å; W209-Q231 HydrophobicContact CB-CB 4.14Å; W209-Q231 PolarHBondContact O-N 2.86Å
210V98.4Very high92.8Very high0 Ų049.9 Ų49.90%026%0.256CS..EExtended strand (participates in β ladder)trans-77.2118.9169.9-177.90000107.5N140 G178 I183 H206 D208 V213N140-V210 WeakPolarHBondContact CB-O 3.47Å; N140-V210 PolarHBondContact ND2-O 2.77Å; G178-V210 PolarHBondContact O-N 2.68Å; I183-V210 HydrophobicContact CD1-CG1 4.43Å; I183-V210 HydrophobicContact CD1-CG2 4.47Å; I183-V210 HydrophobicContact CG1-CG1 3.96Å; I183-V210 HydrophobicContact CG1-CG2 3.96Å; H206-V210 HydrophobicContact CB-CG2 4.04Å; D208-V210 PolarHBondContact O-N 2.83Å; V210-V213 HydrophobicContact CG1-CG1 3.69Å
211R98.2Very high91.8Very high57 Ų5749.3 Ų49.322%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-84.6-44.3-176.5-71.3-63-173.9-174.4-1111.6W209 C229 Q231 V301 V302 W303W209-R211 PolarHBondContact O-N 3.2Å; R211-C229 PolarHBondContact N-O 2.89Å; R211-Q231 VanDerWaalsContact NE-OE1 3.17Å; R211-V301 HydrophobicContact CG-CG1 4.11Å; R211-V302 WeakPolarHBondContact CB-O 3.45Å; R211-V302 WeakPolarHBondContact CG-O 3.19Å; R211-W303 HydrophobicContact CG-CE3 4.48Å
212D98.4Very high90.9Very high23 Ų2352 Ų5212%0.12327%0.274CS..EExtended strand (participates in β ladder)trans-148.3149.8-178.5-161.716000112S141 S228 C229 N304 V305S141-D212 WeakPolarHBondContact CB-OD1 3.45Å; S141-D212 PolarHBondContact OG-OD1 3.14Å; D212-S228 WeakPolarHBondContact O-CA 3.35Å; D212-C229 PolarHBondContact N-O 3.27Å; D212-C229 PolarHBondContact O-N 3.31Å; D212-N304 VanDerWaalsContact OD2-CA 3.31Å; D212-N304 WeakPolarHBondContact OD2-CA 3.39Å; D212-V305 HydrophobicContact CB-CG2 4.03Å; D212-V305 PolarHBondContact OD2-N 3.24Å
213V98.5Very high90.4Very high2 Ų247.7 Ų47.71%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-135.5135.4175.8-66.50000109.3S141 S143 V175 I183 V210 A227S141-V213 PolarHBondContact OG-N 3.24Å; S141-V213 PolarHBondContact OG-O 3.34Å; S143-V213 WeakPolarHBondContact CB-O 3.43Å; V175-V213 HydrophobicContact CG1-CB 4.28Å; V175-V213 HydrophobicContact CG1-CG2 4.07Å; V175-V213 HydrophobicContact CG2-CB 4.45Å; V175-V213 HydrophobicContact CG2-CG2 4.43Å; I183-V213 HydrophobicContact CD1-CG1 4.41Å; I183-V213 HydrophobicContact CG1-CG1 3.95Å; I183-V213 HydrophobicContact CG2-CG1 4.19Å; V210-V213 HydrophobicContact CG1-CG1 3.69Å; V213-A227 CarbonylContact C-O 3.54Å; V213-A227 WeakPolarHBondContact CA-O 2.86Å
214A98.2Very high90.1Very high10 Ų1048.4 Ų48.48%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-135.4117.8179.600000110.6I226 A227 V305 W307A214-I226 WeakPolarHBondContact O-CA 2.91Å; A214-A227 PolarHBondContact N-O 3.13Å; A214-A227 PolarHBondContact O-N 3.35Å; A214-V305 HydrophobicContact CB-CG2 4.07Å; A214-W307 PolarHBondContact O-NE1 2.9Å
215W96.7Very high90.1Very high11 Ų1143.4 Ų43.44%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-75.2127170.6-149.6-51000109.1S143 W144 A145 P146 R173 V175 I185 I226 W290S143-W215 PolarHBondContact OG-N 2.88Å; W144-W215 WeakPolarHBondContact O-CB 3.43Å; A145-W215 HydrophobicContact CB-CD2 3.59Å; A145-W215 HydrophobicContact CB-CE3 3.61Å; A145-W215 HydrophobicContact CB-CG 4.31Å; A145-W215 HydrophobicContact CB-CH2 3.75Å; A145-W215 HydrophobicContact CB-CZ2 3.7Å; A145-W215 HydrophobicContact CB-CZ3 3.7Å; P146-W215 VanDerWaalsContact CD-CD1 3.49Å; R173-W215 HydrophobicContact CB-CH2 3.9Å; R173-W215 HydrophobicContact CB-CZ3 4.09Å; V175-W215 HydrophobicContact CB-CE3 3.73Å; V175-W215 HydrophobicContact CB-CZ3 3.96Å; V175-W215 HydrophobicContact CG1-CB 4.3Å; V175-W215 HydrophobicContact CG1-CD2 4.47Å; V175-W215 HydrophobicContact CG1-CE3 3.74Å; V175-W215 HydrophobicContact CG1-CZ3 4.47Å; I185-W215 HydrophobicContact CD1-CH2 4.42Å; I185-W215 HydrophobicContact CG1-CZ3 4.49Å; I185-W215 HydrophobicContact CG2-CH2 3.83Å; I185-W215 HydrophobicContact CG2-CZ3 4.01Å; W215-I226 HydrophobicContact CD2-CD1 4.07Å; W215-I226 HydrophobicContact CD2-CG1 3.94Å; W215-I226 HydrophobicContact CE3-CD1 4.15Å; W215-I226 HydrophobicContact CE3-CG1 4.43Å; W215-I226 HydrophobicContact CG-CG1 4.01Å; W215-I226 HydrophobicContact CH2-CD1 4.35Å; W215-I226 HydrophobicContact CZ2-CD1 4.29Å; W215-I226 HydrophobicContact CZ3-CD1 4.27Å; W215-W290 HydrophobicContact CH2-CZ2 4.5Å; W215-W290 HydrophobicContact CZ2-CH2 4.02Å; W215-W290 HydrophobicContact CZ2-CZ2 4.12Å
216C95.1Very high90.3Very high0 Ų042.3 Ų42.30%022%0.223CC..  trans-65.6132.3177.7-176.50000109.9S218 L225 W307 G311C216-S218 PolarHBondContact O-N 3.28Å; C216-L225 HydrophobicContact CB-CB 3.69Å; C216-L225 WeakPolarHBondContact CB-O 3.42Å; C216-L225 PolarHBondContact N-O 3Å; C216-W307 HydrophobicContact CB-CD2 3.92Å; C216-W307 HydrophobicContact CB-CG 4.18Å; C216-W307 HydrophobicContact CB-CZ2 4.06Å; C216-G311 VanDerWaalsContact SG-CA 3.52Å; C216-G311 PolarHBondContact SG-O 2.89Å; C216-G311 VanDerWaalsContact SG-O 3.38Å
217P90.9Very high90.3Very high52 Ų5241.7 Ų41.734%0.33822%0.22SC..  trans-73.218.9178.431.9-36.8000113.2L219 W307 S308P217-L219 PolarHBondContact O-N 3.49Å; P217-W307 HydrophobicContact CG-CB 4.46Å; P217-S308 WeakPolarHBondContact CG-O 3.39Å
218S78.1Confident90.4Very high23 Ų2337.1 Ų37.116%0.16119%0.192CC..  trans-63.1134.4-177.564.80000111.2C216 N220 R223C216-S218 PolarHBondContact O-N 3.28Å; S218-N220 PolarHBondContact O-N 2.8Å; S218-R223 PolarHBondContact OG-O 2.81Å
219L70.8Confident90.4Very high139 Ų13934.1 Ų34.173%0.72818%0.176SC*.  trans-81.82.1174.5-62.6174.1000112.5P217 I221P217-L219 PolarHBondContact O-N 3.49Å; L219-I221 PolarHBondContact O-N 2.97Å; L219-I221 VanDerWaalsContact O-N 3.14Å
220N76.8Confident90.4Very high84 Ų8429 Ų2945%0.44916%0.157SC..  trans-80.996.5-179.9-168.8-4.5000110.5S218 S222 R223S218-N220 PolarHBondContact O-N 2.8Å; N220-S222 PolarHBondContact O-N 3.03Å; N220-S222 PolarHBondContact OD1-N 2.88Å; N220-S222 PolarHBondContact OD1-OG 2.91Å; N220-R223 CarbonylContact O-C 3.52Å; N220-R223 PolarHBondContact O-N 3.27Å; N220-R223 VanDerWaalsContact O-O 3.13Å
221I69.4Low90.4Very high36 Ų3631.9 Ų31.919%0.18517%0.17CC..THydrogen-bonded Turntrans-57.3-36.7-177.8-53.1-174000112.2I148 A150 I153 F154 L219 R223I148-I221 HydrophobicContact CG2-CB 4.41Å; I148-I221 HydrophobicContact CG2-CD1 3.35Å; I148-I221 HydrophobicContact CG2-CG1 3.48Å; I148-I221 VanDerWaalsContact CG2-CG1 3.48Å; I148-I221 HydrophobicContact CG2-CG2 4.22Å; A150-I221 HydrophobicContact CB-CD1 4.41Å; I153-I221 HydrophobicContact CB-CD1 3.93Å; I153-I221 HydrophobicContact CD1-CD1 3.41Å; I153-I221 VanDerWaalsContact CD1-CD1 3.41Å; I153-I221 HydrophobicContact CD1-CG1 3.99Å; I153-I221 HydrophobicContact CG1-CD1 4.19Å; I153-I221 HydrophobicContact CG2-CD1 4.13Å; F154-I221 HydrophobicContact CE2-CD1 4.33Å; F154-I221 HydrophobicContact CE2-CG2 4.41Å; L219-I221 PolarHBondContact O-N 2.97Å; L219-I221 VanDerWaalsContact O-N 3.14Å; I221-R223 PolarHBondContact O-N 2.85Å
222S72.7Confident90.3Very high85 Ų8530.6 Ų30.659%0.59417%0.167SC*.THydrogen-bonded Turntrans-75.3-13.6-178.263.70000113.1N220N220-S222 PolarHBondContact O-N 3.03Å; N220-S222 PolarHBondContact OD1-N 2.88Å; N220-S222 PolarHBondContact OD1-OG 2.91Å
223R83.4Confident90.2Very high58 Ų5829.5 Ų29.522%0.21916%0.162CC..  trans-141.981-176.5-168179.8-176.5-118.8-3110.9S218 N220 I221 L225 Q239 E328S218-R223 PolarHBondContact OG-O 2.81Å; N220-R223 CarbonylContact O-C 3.52Å; N220-R223 PolarHBondContact O-N 3.27Å; N220-R223 VanDerWaalsContact O-O 3.13Å; I221-R223 PolarHBondContact O-N 2.85Å; R223-L225 HydrophobicContact CG-CD2 4.49Å; R223-Q239 HydrophobicContact CG-CG 4.04Å; R223-Q239 VanDerWaalsContact NE-NE2 3.18Å; R223-E328 IonicContact CZ-OE1 2.74Å; R223-E328 IonicContact CZ-OE2 3.22Å; R223-E328 VanDerWaalsContact CZ-OE2 3.25Å; R223-E328 IonicContact NH1-OE1 3.12Å; R223-E328 IonicContact NH1-OE2 2.67Å; R223-E328 PolarHBondContact NH1-OE2 3.27Å; R223-E328 IonicContact NH2-OE1 3.66Å; R223-E328 PolarHBondContact NH2-OE1 3.24Å; R223-E328 IonicContact NH2-OE2 3.4Å; R223-E328 PolarHBondContact NH2-OE2 3.45Å
224Q90.6Very high90.1Very high22 Ų2232.9 Ų32.910%0.10317%0.174CC..  trans-82.7140.3168.5-60.1-179.4-2.800109.5I148 S240 W290I148-Q224 HydrophobicContact CD1-CG 4.45Å; Q224-S240 PolarHBondContact N-OG 3.1Å; Q224-S240 PolarHBondContact O-N 3.06Å; Q224-S240 PolarHBondContact O-OG 3.12Å; Q224-W290 HydrophobicContact CB-CH2 3.82Å; Q224-W290 HydrophobicContact CB-CZ3 4.35Å
225L94.4Very high90.1Very high7 Ų732.4 Ų32.44%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-122140.4177.8-61.6176.3000109.6C216 R223 I237 W238 Q239 W307 W334C216-L225 HydrophobicContact CB-CB 3.69Å; C216-L225 WeakPolarHBondContact CB-O 3.42Å; C216-L225 PolarHBondContact N-O 3Å; R223-L225 HydrophobicContact CG-CD2 4.49Å; L225-I237 HydrophobicContact CD2-CG2 3.94Å; L225-W238 CarbonylContact C-O 3.5Å; L225-W238 VanDerWaalsContact CA-O 3.31Å; L225-W238 WeakPolarHBondContact CA-O 3.38Å; L225-Q239 HydrophobicContact CD2-CB 3.76Å; L225-Q239 HydrophobicContact CD2-CG 3.85Å; L225-W307 HydrophobicContact CB-CZ2 4.2Å; L225-W307 HydrophobicContact CD1-CH2 4.26Å; L225-W334 HydrophobicContact CD1-CZ2 4.24Å
226I96.6Very high90.1Very high0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-124.8134.8167.4-63.2166.7000106.7V175 I185 A214 W215 I237 W238 W290V175-I226 HydrophobicContact CB-CD1 4.2Å; V175-I226 HydrophobicContact CG1-CG2 4.28Å; V175-I226 HydrophobicContact CG2-CD1 4.13Å; V175-I226 HydrophobicContact CG2-CG2 4.2Å; I185-I226 HydrophobicContact CD1-CD1 3.77Å; I185-I226 HydrophobicContact CG1-CD1 4.19Å; A214-I226 WeakPolarHBondContact O-CA 2.91Å; W215-I226 HydrophobicContact CD2-CD1 4.07Å; W215-I226 HydrophobicContact CD2-CG1 3.94Å; W215-I226 HydrophobicContact CE3-CD1 4.15Å; W215-I226 HydrophobicContact CE3-CG1 4.43Å; W215-I226 HydrophobicContact CG-CG1 4.01Å; W215-I226 HydrophobicContact CH2-CD1 4.35Å; W215-I226 HydrophobicContact CZ2-CD1 4.29Å; W215-I226 HydrophobicContact CZ3-CD1 4.27Å; I226-I237 WeakPolarHBondContact O-CA 3.1Å; I226-W238 HydrophobicContact CB-CB 4.18Å; I226-W238 PolarHBondContact N-O 3.47Å; I226-W238 PolarHBondContact O-N 3.03Å; I226-W290 HydrophobicContact CB-CZ3 4.39Å; I226-W290 HydrophobicContact CD1-CE3 4.28Å; I226-W290 HydrophobicContact CD1-CH2 3.46Å; I226-W290 VanDerWaalsContact CD1-CH2 3.46Å; I226-W290 HydrophobicContact CD1-CZ2 3.96Å; I226-W290 HydrophobicContact CD1-CZ3 3.65Å; I226-W290 HydrophobicContact CG1-CH2 3.86Å; I226-W290 HydrophobicContact CG1-CZ3 3.81Å
227A98Very high90.2Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-101.2142.1168.700000109.1V213 A214 I236 I237 V305 W307 L314V213-A227 CarbonylContact C-O 3.54Å; V213-A227 WeakPolarHBondContact CA-O 2.86Å; A214-A227 PolarHBondContact N-O 3.13Å; A214-A227 PolarHBondContact O-N 3.35Å; A227-I236 WeakPolarHBondContact CA-O 3.33Å; A227-I237 HydrophobicContact CB-CD1 3.74Å; A227-V305 HydrophobicContact CB-CB 4.28Å; A227-V305 HydrophobicContact CB-CG2 4.27Å; A227-W307 HydrophobicContact CB-CZ2 3.82Å; A227-L314 HydrophobicContact CB-CD1 3.69Å; A227-L314 HydrophobicContact CB-CD2 3.85Å; A227-L314 HydrophobicContact CB-CG 4.46Å
228S98.4Very high90.4Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-137.5149.5170.966.40000111.6I183 H206 D212 I236 W238I183-S228 WeakPolarHBondContact CD1-OG 3.18Å; H206-S228 PolarHBondContact NE2-OG 3.31Å; D212-S228 WeakPolarHBondContact O-CA 3.35Å; S228-I236 PolarHBondContact N-O 3.02Å; S228-I236 PolarHBondContact O-N 3.15Å; S228-W238 PolarHBondContact OG-NE1 2.85Å
229C98Very high91.1Very high0 Ų031.4 Ų31.40%016%0.159CC..EExtended strand (participates in β ladder)trans-137.8155.4174.674.30000111.6R211 D212 R234 L235 V302 V305R211-C229 PolarHBondContact N-O 2.89Å; D212-C229 PolarHBondContact N-O 3.27Å; D212-C229 PolarHBondContact O-N 3.31Å; C229-R234 WeakPolarHBondContact CA-O 3.32Å; C229-L235 HydrophobicContact CB-CD1 4.49Å; C229-V302 HydrophobicContact CB-CB 3.71Å; C229-V302 HydrophobicContact CB-CG1 3.38Å; C229-V302 PolarHBondContact SG-O 3.23Å; C229-V302 VanDerWaalsContact SG-O 3.36Å; C229-V305 HydrophobicContact CB-CG1 3.66Å
230G97.4Very high92.1Very high0 Ų025.2 Ų25.20%013%0.127CC..EExtended strand (participates in β ladder)trans-146173.7-170.200000115.4W209 D232 G233 R234 V302W209-G230 CarbonylContact O-C 3.58Å; W209-G230 WeakPolarHBondContact O-CA 3.48Å; G230-D232 PolarHBondContact O-N 2.88Å; G230-G233 PolarHBondContact O-N 3.28Å; G230-G233 VanDerWaalsContact O-N 3.17Å; G230-R234 PolarHBondContact N-O 3.49Å; G230-V302 PolarHBondContact O-N 2.79Å
231Q97.6Very high92.5Very high61 Ų6122.8 Ų22.829%0.28512%0.115SC..THydrogen-bonded Turntrans-63.2-25172.7-175.366.13000112.3D208 W209 R211 G233D208-Q231 HydrophobicContact CB-CB 3.94Å; D208-Q231 HydrophobicContact CB-CG 4.35Å; D208-Q231 VanDerWaalsContact OD2-CG 3.31Å; D208-Q231 WeakPolarHBondContact OD2-CG 3.13Å; W209-Q231 HydrophobicContact CB-CB 4.14Å; W209-Q231 PolarHBondContact O-N 2.86Å; R211-Q231 VanDerWaalsContact NE-OE1 3.17Å; Q231-G233 PolarHBondContact O-N 2.91Å
232D96.8Very high92.5Very high29 Ų2924 Ų2416%0.15513%0.131CC..THydrogen-bonded Turntrans-73.72.1174.262.1-0.2000114.2H206 T207 D208 G230 R234H206-D232 WeakPolarHBondContact CA-OD2 3.49Å; H206-D232 WeakPolarHBondContact CB-OD2 3.21Å; H206-D232 IonicContact CE1-OD1 3.48Å; H206-D232 IonicContact CG-OD2 3.66Å; H206-D232 IonicContact ND1-OD1 3.67Å; H206-D232 PolarHBondContact ND1-OD1 3.48Å; H206-D232 IonicContact ND1-OD2 3Å; H206-D232 PolarHBondContact ND1-OD2 3Å; H206-D232 VanDerWaalsContact ND1-OD2 3.09Å; T207-D232 PolarHBondContact N-OD2 3.39Å; T207-D232 WeakPolarHBondContact OG1-CB 3.4Å; T207-D232 PolarHBondContact OG1-OD2 3.36Å; D208-D232 HydrophobicContact CB-CB 4.06Å; G230-D232 PolarHBondContact O-N 2.88Å; D232-R234 HydrophobicContact CB-CG 4.45Å; D232-R234 PolarHBondContact O-N 2.7Å; D232-R234 WeakPolarHBondContact OD1-CB 3.47Å; D232-R234 PolarHBondContact OD1-N 2.97Å; D232-R234 WeakPolarHBondContact OD2-CD 3.29Å
233G96.2Very high91.8Very high1 Ų124.6 Ų24.61%0.0113%0.128CC..  trans72.51.4-178.700000113.8G230 Q231 T297 Y298 D300G230-G233 PolarHBondContact O-N 3.28Å; G230-G233 VanDerWaalsContact O-N 3.17Å; Q231-G233 PolarHBondContact O-N 2.91Å; G233-T297 CarbonylContact O-C 3.55Å; G233-T297 WeakPolarHBondContact O-CA 3.18Å; G233-Y298 WeakPolarHBondContact O-CD2 3.45Å; G233-Y298 PolarHBondContact O-N 3.08Å; G233-D300 WeakPolarHBondContact CA-O 3.45Å
234R97.2Very high90.3Very high72 Ų7228.9 Ų28.927%0.27216%0.155SC..EExtended strand (participates in β ladder)trans-77.8139.2-178.1-65.4-176.2176.8177.90.7110.9G205 H206 C229 G230 D232 I236 T297G205-R234 PolarHBondContact O-NH1 3.37Å; H206-R234 PolarHBondContact CE1-O 2.85Å; C229-R234 WeakPolarHBondContact CA-O 3.32Å; G230-R234 PolarHBondContact N-O 3.49Å; D232-R234 HydrophobicContact CB-CG 4.45Å; D232-R234 PolarHBondContact O-N 2.7Å; D232-R234 WeakPolarHBondContact OD1-CB 3.47Å; D232-R234 PolarHBondContact OD1-N 2.97Å; D232-R234 WeakPolarHBondContact OD2-CD 3.29Å; R234-I236 HydrophobicContact CB-CD1 4.35Å; R234-I236 HydrophobicContact CB-CG1 4.11Å; R234-T297 HydrophobicContact CG-CG2 4.26Å
235L97.2Very high88.3Confident0 Ų033.4 Ų33.40%018%0.18CC..EExtended strand (participates in β ladder)trans-110116.1163.9177.165.8000108.4C229 L295 Y296 Y298 V305 L314 V316 W326C229-L235 HydrophobicContact CB-CD1 4.49Å; L235-L295 HydrophobicContact CD2-CB 4.02Å; L235-L295 HydrophobicContact CD2-CD1 3.9Å; L235-L295 HydrophobicContact CD2-CG 4.44Å; L235-L295 HydrophobicContact CG-CB 4.19Å; L235-L295 HydrophobicContact CG-CD1 4.22Å; L235-L295 HydrophobicContact CG-CG 4.44Å; L235-L295 PolarHBondContact O-N 3.09Å; L235-Y296 PolarHBondContact N-O 3.21Å; L235-Y298 HydrophobicContact CB-CE2 4.26Å; L235-V305 HydrophobicContact CD1-CG1 3.62Å; L235-L314 HydrophobicContact CD1-CD2 3.99Å; L235-L314 HydrophobicContact CD2-CD2 4.39Å; L235-V316 HydrophobicContact CD1-CG1 4.27Å; L235-V316 HydrophobicContact CD1-CG2 4Å; L235-V316 HydrophobicContact CD2-CG1 4.32Å; L235-V316 HydrophobicContact CD2-CG2 3.69Å; L235-W326 HydrophobicContact CD2-CD2 4.46Å
236I97.5Very high85.8Confident1 Ų136.5 Ų36.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-119.3131.7-175.5-49.1-177.1000109.7A227 S228 R234 W238 P292 T293 I294A227-I236 WeakPolarHBondContact CA-O 3.33Å; S228-I236 PolarHBondContact N-O 3.02Å; S228-I236 PolarHBondContact O-N 3.15Å; R234-I236 HydrophobicContact CB-CD1 4.35Å; R234-I236 HydrophobicContact CB-CG1 4.11Å; I236-W238 HydrophobicContact CB-CZ2 4.34Å; I236-W238 HydrophobicContact CD1-CZ2 4.19Å; I236-W238 HydrophobicContact CG2-CD2 4.14Å; I236-W238 HydrophobicContact CG2-CH2 4.49Å; I236-W238 HydrophobicContact CG2-CZ2 3.8Å; I236-P292 HydrophobicContact CG2-CB 3.95Å; I236-T293 WeakPolarHBondContact CA-O 3.4Å; I236-I294 HydrophobicContact CD1-CG1 4.46Å; I236-I294 HydrophobicContact CG1-CG1 4.25Å
237I96.5Very high83Confident2 Ų243.7 Ų43.71%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-102.4126.3166.7-60.2-59.2000109L225 I226 A227 P292 T293 L295 W307 L314 W334L225-I237 HydrophobicContact CD2-CG2 3.94Å; I226-I237 WeakPolarHBondContact O-CA 3.1Å; A227-I237 HydrophobicContact CB-CD1 3.74Å; I237-P292 CarbonylContact O-C 3.59Å; I237-T293 PolarHBondContact N-O 3.41Å; I237-T293 PolarHBondContact O-N 2.88Å; I237-L295 HydrophobicContact CB-CD2 4.39Å; I237-L295 HydrophobicContact CB-CG 4.49Å; I237-L295 HydrophobicContact CD1-CD1 3.97Å; I237-L295 HydrophobicContact CG1-CD1 3.39Å; I237-L295 HydrophobicContact CG1-CD2 3.82Å; I237-L295 HydrophobicContact CG1-CG 3.59Å; I237-W307 HydrophobicContact CD1-CH2 4.02Å; I237-W307 HydrophobicContact CD1-CZ2 3.93Å; I237-L314 HydrophobicContact CD1-CD2 3.91Å; I237-W334 HydrophobicContact CG1-CZ2 4.45Å; I237-W334 HydrophobicContact CG2-CZ2 4.49Å
238W95.6Very high80.3Confident4 Ų449.7 Ų49.72%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-102.7122.1175.1-49.783.9000108.3I183 L203 L225 I226 S228 I236 W290 R291 P292I183-W238 HydrophobicContact CD1-CZ2 3.63Å; L203-W238 HydrophobicContact CB-CD2 4.3Å; L203-W238 HydrophobicContact CB-CE3 3.91Å; L203-W238 HydrophobicContact CB-CH2 3.86Å; L203-W238 HydrophobicContact CB-CZ2 4.26Å; L203-W238 HydrophobicContact CB-CZ3 3.67Å; L203-W238 HydrophobicContact CD1-CB 4.32Å; L203-W238 HydrophobicContact CD1-CD2 3.87Å; L203-W238 HydrophobicContact CD1-CE3 3.91Å; L203-W238 HydrophobicContact CD1-CG 4.03Å; L203-W238 HydrophobicContact CD2-CE3 4Å; L203-W238 HydrophobicContact CD2-CZ3 4.22Å; L203-W238 HydrophobicContact CG-CE3 4.16Å; L203-W238 HydrophobicContact CG-CZ3 4.35Å; L225-W238 CarbonylContact C-O 3.5Å; L225-W238 VanDerWaalsContact CA-O 3.31Å; L225-W238 WeakPolarHBondContact CA-O 3.38Å; I226-W238 HydrophobicContact CB-CB 4.18Å; I226-W238 PolarHBondContact N-O 3.47Å; I226-W238 PolarHBondContact O-N 3.03Å; S228-W238 PolarHBondContact OG-NE1 2.85Å; I236-W238 HydrophobicContact CB-CZ2 4.34Å; I236-W238 HydrophobicContact CD1-CZ2 4.19Å; I236-W238 HydrophobicContact CG2-CD2 4.14Å; I236-W238 HydrophobicContact CG2-CH2 4.49Å; I236-W238 HydrophobicContact CG2-CZ2 3.8Å; W238-W290 HydrophobicContact CB-CE3 3.79Å; W238-W290 HydrophobicContact CB-CZ3 4.4Å; W238-R291 WeakPolarHBondContact CA-O 3.36Å; W238-P292 HydrophobicContact CD2-CB 4.39Å; W238-P292 HydrophobicContact CE3-CB 3.75Å; W238-P292 HydrophobicContact CE3-CG 4.45Å; W238-P292 HydrophobicContact CH2-CB 4.08Å; W238-P292 HydrophobicContact CZ3-CB 3.59Å; W238-P292 HydrophobicContact CZ3-CG 4.07Å
239Q93.1Very high77.5Confident59 Ų5956.3 Ų56.328%0.27630%0.302SS..EExtended strand (participates in β ladder)trans-111.2128.9178.4179.9172.9-31.200110.8R223 L225 W290 R291R223-Q239 HydrophobicContact CG-CG 4.04Å; R223-Q239 VanDerWaalsContact NE-NE2 3.18Å; L225-Q239 HydrophobicContact CD2-CB 3.76Å; L225-Q239 HydrophobicContact CD2-CG 3.85Å; Q239-W290 CarbonylContact O-C 3.58Å; Q239-W290 WeakPolarHBondContact O-CA 3.49Å; Q239-R291 PolarHBondContact N-O 2.76Å; Q239-R291 PolarHBondContact O-N 3.08Å
240S90.2Very high75Confident8 Ų864.3 Ų64.36%0.05634%0.34CS..EExtended strand (participates in β ladder)trans-67.3132.7172.467.90000110.6Q224 F289Q224-S240 PolarHBondContact N-OG 3.1Å; Q224-S240 PolarHBondContact O-N 3.06Å; Q224-S240 PolarHBondContact O-OG 3.12Å; S240-F289 CarbonylContact C-O 3.5Å; S240-F289 WeakPolarHBondContact CA-O 3.15Å
241V85.5Confident72.4Confident33 Ų3369 Ų6920%0.237%0.365CS..EExtended strand (participates in β ladder)trans-118.6127175.3-1740000108.4D245 F289 R291V241-D245 HydrophobicContact CG1-CB 4.38Å; V241-F289 HydrophobicContact CB-CD1 4.39Å; V241-F289 HydrophobicContact CG2-CD1 4.38Å; V241-F289 PolarHBondContact N-O 2.69Å; V241-R291 HydrophobicContact CG2-CB 4.03Å
242A70.9Confident69.5Low62 Ų6274.8 Ų74.851%0.51238%0.384SS..  trans-71.8137.6173.400000109.8N244 D245A242-N244 PolarHBondContact O-N 3.4Å; A242-D245 PolarHBondContact O-N 3.42Å
243N57.4Low66.6Low98 Ų9881.1 Ų81.152%0.52441%0.414SS..G310 helixtrans-62-6.5-172.4-163.823000115.1D245 N246N243-D245 PolarHBondContact O-N 2.99Å; N243-N246 PolarHBondContact O-N 3.32Å; N243-N246 PolarHBondContact OD1-ND2 3.12Å
244N51Low63.9Low148 Ų14888.8 Ų88.879%0.79145%0.452SS*.G310 helixtrans-68.3-16.1177.5-79.8-3000113.9A242A242-N244 PolarHBondContact O-N 3.4Å
245D48.8Very low61.1Low117 Ų11792.3 Ų92.363%0.62648%0.476SS*.G310 helixtrans-84.9-5.6179-69.1-19.5000113.8V241 A242 N243 N247V241-D245 HydrophobicContact CG1-CB 4.38Å; A242-D245 PolarHBondContact O-N 3.42Å; N243-D245 PolarHBondContact O-N 2.99Å; D245-N247 PolarHBondContact O-N 2.64Å; D245-N247 VanDerWaalsContact O-N 3.13Å
246N41.8Very low58Low72 Ų72101.7 Ų101.739%0.38551%0.512SS..G310 helixtrans-78.211.4-176.5-87.5-25000115.3N243 N248N243-N246 PolarHBondContact O-N 3.32Å; N243-N246 PolarHBondContact OD1-ND2 3.12Å; N246-N248 PolarHBondContact O-N 2.96Å
247N37.9Very low55.1Low150 Ų150106.4 Ų106.480%0.80254%0.544SS*.G310 helixtrans-77.42.4170.6-84.6-19.3000114D245D245-N247 PolarHBondContact O-N 2.64Å; D245-N247 VanDerWaalsContact O-N 3.13Å
248N40.9Very low52.1Low127 Ų127112.9 Ų112.968%0.67958%0.584SS**SBendtrans-92.6115.3169.5-71.7-20.8000110.5N246 E250N246-N248 PolarHBondContact O-N 2.96Å; N248-E250 PolarHBondContact O-N 3.46Å
249N39.8Very low49.4Very low138 Ų138116.8 Ų116.874%0.73862%0.617SS**THydrogen-bonded Turntrans-57.43.1-170.3-78.7-45.4000117.4
250E45.6Very low46.6Very low169 Ų169121.5 Ų121.579%0.7964%0.643SS**THydrogen-bonded Turntrans-85.9-30.3-172.8-66-173.215700113.6N248 R252N248-E250 PolarHBondContact O-N 3.46Å; E250-R252 VanDerWaalsContact C-N 3.28Å; E250-R252 PolarHBondContact O-N 3.06Å
251N42.8Very low44.2Very low98 Ų98127.8 Ų127.852%0.52468%0.676SS.*THydrogen-bonded Turntrans-80.2-4.7-178.1-76.6-18.5000114.6M253N251-M253 VanDerWaalsContact C-N 3.29Å; N251-M253 PolarHBondContact O-N 3.22Å
252R36.4Very low42Very low182 Ų182133.1 Ų133.169%0.68770%0.703SS**THydrogen-bonded Turntrans-78.1-11.8178.6-122.7177.5173.5178.3-1.1113.7E250E250-R252 VanDerWaalsContact C-N 3.28Å; E250-R252 PolarHBondContact O-N 3.06Å
253M36.2Very low40.5Very low162 Ų162136.8 Ų136.880%0.79871%0.714SS**THydrogen-bonded Turntrans-85.3-23.4-178.9-75.6-165.417900114.2N251N251-M253 VanDerWaalsContact C-N 3.29Å; N251-M253 PolarHBondContact O-N 3.22Å
254M40.9Very low39.7Very low162 Ų162139.6 Ų139.680%0.79873%0.729SS**THydrogen-bonded Turntrans-82-20.5180-71.8-169.1178.900114.1
255N36.9Very low39.3Very low147 Ų147138.7 Ų138.779%0.78672%0.724SS**THydrogen-bonded Turntrans-97.59.2-179.6-73.8-8.5000114.5
256R33.3Very low39Very low197 Ų197139.3 Ų139.374%0.74373%0.728SS**  trans-103.90.9-179.3-98.3-176175.2-173.5-1115.1T258R256-T258 VanDerWaalsContact C-N 3.28Å; R256-T258 PolarHBondContact O-N 2.67Å
257S35Very low38.9Very low99 Ų99142.5 Ų142.569%0.69275%0.745SS**THydrogen-bonded Turntrans-78.63.1-170.7-36.50000115.7
258T35Very low39.1Very low138 Ų138144.4 Ų144.485%0.84775%0.746SS**THydrogen-bonded Turntrans-127.914.5-174.350.80000115.7R256R256-T258 VanDerWaalsContact C-N 3.28Å; R256-T258 PolarHBondContact O-N 2.67Å
259A37.5Very low39Very low86 Ų86146 Ų14671%0.71176%0.755SS**  trans-127.573.6173.700000111.5N261A259-N261 PolarHBondContact O-N 3.41Å
260I35.3Very low38.9Very low159 Ų159145.1 Ų145.182%0.81576%0.756SS**  trans-78.7102.6161.9-65.7174.9000106.3D262I260-D262 PolarHBondContact O-N 2.73Å
261N38.8Very low38.6Very low139 Ų139142.3 Ų142.374%0.74376%0.755SS**  trans-84.7103174.7-132.43.6000107.8A259 N263A259-N261 PolarHBondContact O-N 3.41Å; N261-N263 PolarHBondContact O-N 3.09Å
262D40.7Very low38.3Very low145 Ų145142.3 Ų142.378%0.77576%0.763SS**  trans-71.4107.8161.9-81.8-30.6000108.2I260I260-D262 PolarHBondContact O-N 2.73Å
263N39.6Very low38.3Very low140 Ų140140.3 Ų140.375%0.74977%0.766SS**  trans-143.796.7166.5-92.5-35000109.9N261N261-N263 PolarHBondContact O-N 3.09Å
264N40.5Very low38.2Very low156 Ų156141.6 Ų141.683%0.83477%0.77SS**  trans-106.7107.3162.8-104.1-23.6000109.4
265N42.5Very low37.9Very low129 Ų129142.1 Ų142.169%0.6978%0.775SS**  trans50.1109.8133.8-81.8-13.8000119.2
266N40.8Very low37.8Very low131 Ų131141.8 Ų141.870%0.70178%0.778SS**  158.7125.196.1-88.1-34000113.2
267N41.5Very low37.5Very low138 Ų138140.8 Ų140.874%0.73878%0.782SS**  trans51.2105131.7-70.9-20.3000120.4
268K41.8Very low37.3Very low191 Ų191140.5 Ų140.583%0.8378%0.78SS**  154.1122108-88.8168.5-176.4-179.80113.1
269N39.2Very low36.9Very low160 Ų160143 Ų14386%0.85678%0.779SS**  trans55.5138.4146.6-73.9-0.2000122.9
270P37.4Very low36.5Very low119 Ų119145.6 Ų145.677%0.77378%0.781SS**  trans-103.6146.2-175.339.5-29.6000113.4
271S39.7Very low36.2Very low110 Ų110147.2 Ų147.277%0.76978%0.783SS**  trans-174.8132.5146.353.70000110.8
272S35.9Very low35.5Very low98 Ų98148.2 Ų148.269%0.68578%0.783SS**  trans60.6101.3159.465.90000118.5
273N35.9Very low34.9Very low141 Ų141146.4 Ų146.475%0.75478%0.781SS**  169.5129.9105.9-83.7-18.1000111.5
274E33.6Very low34.3Very low188 Ų188145.1 Ų145.188%0.87978%0.779SS**  trans22.5107.3152.5-65.817814700118.4
275L34.7Very low33.9Very low173 Ų173145.3 Ų145.391%0.90677%0.774SS**  trans-126.8119.4158.6-80.3166.3000109.2
276V35.4Very low34Very low140 Ų140149.1 Ų149.185%0.84878%0.781SS**  trans-50.6128.4175.2172.50000110.6S278V276-S278 PolarHBondContact O-N 2.87Å; V276-S278 VanDerWaalsContact O-N 3.09Å
277E26.8Very low34.6Very low176 Ų176147.3 Ų147.382%0.82278%0.778SS**  trans-64.2101.3168.5-73.6-178.9156.100110K279E277-K279 PolarHBondContact O-N 2.81Å
278S31.3Very low36.1Very low93 Ų93142.8 Ų142.865%0.6576%0.756SS**  trans-80.7108158.353.90000108.5V276 D280V276-S278 PolarHBondContact O-N 2.87Å; V276-S278 VanDerWaalsContact O-N 3.09Å; S278-D280 VanDerWaalsContact C-N 3.33Å; S278-D280 PolarHBondContact O-N 3.1Å
279K27.2Very low38.2Very low190 Ų190138.6 Ų138.683%0.82674%0.738SS**  trans-67.487.6170.3-75176.9175.2175.10110E277 F281E277-K279 PolarHBondContact O-N 2.81Å; K279-F281 PolarHBondContact O-N 3.32Å; K279-F281 VanDerWaalsContact O-N 3.14Å
280D28.6Very low40.7Very low142 Ų142131.4 Ų131.476%0.75970%0.699SS**  trans-7597.2159.8-72.2-30.2000107.9S278 Q282S278-D280 VanDerWaalsContact C-N 3.33Å; S278-D280 PolarHBondContact O-N 3.1Å; D280-Q282 PolarHBondContact O-N 2.9Å
281F28.1Very low43.4Very low193 Ų193133.3 Ų133.385%0.84669%0.691SS**  trans-63.1107.5173.9-162.6-97000108.2K279 S283K279-F281 PolarHBondContact O-N 3.32Å; K279-F281 VanDerWaalsContact O-N 3.14Å; F281-S283 PolarHBondContact O-N 2.75Å
282Q25.5Very low46Very low160 Ų160131 Ų13175%0.74867%0.673SS**  trans-61.991.9173.2-72.7-179.5-10.400110.1D280 T284D280-Q282 PolarHBondContact O-N 2.9Å; Q282-T284 HydrophobicContact CB-CG2 4.47Å; Q282-T284 PolarHBondContact O-N 2.89Å
283S27.1Very low48.8Very low106 Ų106129 Ų12974%0.74166%0.656SS**  trans-74.861.7158.968.40000109.4F281 Q285F281-S283 PolarHBondContact O-N 2.75Å; S283-Q285 PolarHBondContact O-N 3.28Å
284T26.6Very low51.7Low113 Ų113126.4 Ų126.469%0.69364%0.642SS**  trans-9162.7169.445.60000108.7Q282Q282-T284 HydrophobicContact CB-CG2 4.47Å; Q282-T284 PolarHBondContact O-N 2.89Å
285Q31.9Very low54.4Low160 Ų160118.8 Ų118.875%0.74861%0.607SS**SBendtrans-134.7111.6178.3-75.6-169.70.500109.8S283S283-Q285 PolarHBondContact O-N 3.28Å
286Y44.3Very low57.2Low209 Ų209116 Ų11682%0.8259%0.585SS**  trans52.467.9164.4-48.9-79000117.2T288Y286-T288 PolarHBondContact O-N 3.45Å
287S55.3Low60.1Low93 Ų93113 Ų11365%0.6557%0.567SS**PPolyproline II helixtrans-72.6120.2161.3145.40000109.1
288T72.5Confident63.2Low44 Ų44105.5 Ų105.527%0.2753%0.531SS..PPolyproline II helixtrans-81125.7169.5-58.40000108.3Y286Y286-T288 PolarHBondContact O-N 3.45Å
289F85.5Confident66.2Low102 Ų102107.1 Ų107.145%0.44754%0.54SS..EExtended strand (participates in β ladder)trans-90.9145.3172.4-176.7-98.9000109.9S240 V241 R291S240-F289 CarbonylContact C-O 3.5Å; S240-F289 WeakPolarHBondContact CA-O 3.15Å; V241-F289 HydrophobicContact CB-CD1 4.39Å; V241-F289 HydrophobicContact CG2-CD1 4.38Å; V241-F289 PolarHBondContact N-O 2.69Å; F289-R291 HydrophobicContact CE1-CB 4.27Å
290W92Very high69.4Low9 Ų9101.8 Ų101.83%0.03452%0.52CS..EExtended strand (participates in β ladder)trans-119.5118.5177.7-70.885.8000109.7I185 L203 W215 Q224 I226 W238 Q239 P292I185-W290 HydrophobicContact CD1-CD2 4.14Å; I185-W290 HydrophobicContact CD1-CH2 4.34Å; I185-W290 HydrophobicContact CD1-CZ2 3.48Å; I185-W290 VanDerWaalsContact CD1-CZ2 3.48Å; I185-W290 VanDerWaalsContact CD1-NE1 3.33Å; L203-W290 HydrophobicContact CD1-CG 4.42Å; L203-W290 HydrophobicContact CD2-CB 3.42Å; L203-W290 VanDerWaalsContact CD2-CB 3.42Å; L203-W290 HydrophobicContact CD2-CG 3.74Å; W215-W290 HydrophobicContact CH2-CZ2 4.5Å; W215-W290 HydrophobicContact CZ2-CH2 4.02Å; W215-W290 HydrophobicContact CZ2-CZ2 4.12Å; Q224-W290 HydrophobicContact CB-CH2 3.82Å; Q224-W290 HydrophobicContact CB-CZ3 4.35Å; I226-W290 HydrophobicContact CB-CZ3 4.39Å; I226-W290 HydrophobicContact CD1-CE3 4.28Å; I226-W290 HydrophobicContact CD1-CH2 3.46Å; I226-W290 VanDerWaalsContact CD1-CH2 3.46Å; I226-W290 HydrophobicContact CD1-CZ2 3.96Å; I226-W290 HydrophobicContact CD1-CZ3 3.65Å; I226-W290 HydrophobicContact CG1-CH2 3.86Å; I226-W290 HydrophobicContact CG1-CZ3 3.81Å; W238-W290 HydrophobicContact CB-CE3 3.79Å; W238-W290 HydrophobicContact CB-CZ3 4.4Å; Q239-W290 CarbonylContact O-C 3.58Å; Q239-W290 WeakPolarHBondContact O-CA 3.49Å; W290-P292 WeakPolarHBondContact O-CD 3.49Å
291R93.4Very high72.7Confident160 Ų16095.4 Ų95.460%0.60449%0.487SS*.EExtended strand (participates in β ladder)trans-89.2116.5177.4-178.6179.2175.7-179.6-1.1109.7W238 Q239 V241 F289W238-R291 WeakPolarHBondContact CA-O 3.36Å; Q239-R291 PolarHBondContact N-O 2.76Å; Q239-R291 PolarHBondContact O-N 3.08Å; V241-R291 HydrophobicContact CG2-CB 4.03Å; F289-R291 HydrophobicContact CE1-CB 4.27Å
292P95.4Very high75.9Confident62 Ų6286.2 Ų86.240%0.40345%0.446SS..EExtended strand (participates in β ladder)trans-75.7140.6171.527.9-30.9000111.5I236 I237 W238 W290I236-P292 HydrophobicContact CG2-CB 3.95Å; I237-P292 CarbonylContact O-C 3.59Å; W238-P292 HydrophobicContact CD2-CB 4.39Å; W238-P292 HydrophobicContact CE3-CB 3.75Å; W238-P292 HydrophobicContact CE3-CG 4.45Å; W238-P292 HydrophobicContact CH2-CB 4.08Å; W238-P292 HydrophobicContact CZ3-CB 3.59Å; W238-P292 HydrophobicContact CZ3-CG 4.07Å; W290-P292 WeakPolarHBondContact O-CD 3.49Å
293T94.7Very high79.3Confident55 Ų5584 Ų8434%0.33743%0.431SS..EExtended strand (participates in β ladder)trans-131.1113.6168-540000108.3I236 I237 L295I236-T293 WeakPolarHBondContact CA-O 3.4Å; I237-T293 PolarHBondContact N-O 3.41Å; I237-T293 PolarHBondContact O-N 2.88Å; T293-L295 HydrophobicContact CG2-CD2 4.15Å; T293-L295 PolarHBondContact O-N 3.15Å
294I95Very high82.7Confident86 Ų8682.7 Ų82.744%0.44142%0.416SS..EExtended strand (participates in β ladder)trans-74113.3172.6-57.1174.3000107.1I236I236-I294 HydrophobicContact CD1-CG1 4.46Å; I236-I294 HydrophobicContact CG1-CG1 4.25Å
295L92.2Very high86Confident29 Ų2977.5 Ų77.515%0.15238%0.384CS..EExtended strand (participates in β ladder)trans-77.4-45179.3-62.3-166.8000111.6L235 I237 T293 W326 W334L235-L295 HydrophobicContact CD2-CB 4.02Å; L235-L295 HydrophobicContact CD2-CD1 3.9Å; L235-L295 HydrophobicContact CD2-CG 4.44Å; L235-L295 HydrophobicContact CG-CB 4.19Å; L235-L295 HydrophobicContact CG-CD1 4.22Å; L235-L295 HydrophobicContact CG-CG 4.44Å; L235-L295 PolarHBondContact O-N 3.09Å; I237-L295 HydrophobicContact CB-CD2 4.39Å; I237-L295 HydrophobicContact CB-CG 4.49Å; I237-L295 HydrophobicContact CD1-CD1 3.97Å; I237-L295 HydrophobicContact CG1-CD1 3.39Å; I237-L295 HydrophobicContact CG1-CD2 3.82Å; I237-L295 HydrophobicContact CG1-CG 3.59Å; T293-L295 HydrophobicContact CG2-CD2 4.15Å; T293-L295 PolarHBondContact O-N 3.15Å; L295-W326 HydrophobicContact CB-CZ3 4.48Å; L295-W326 HydrophobicContact CD1-CE3 4.45Å; L295-W334 HydrophobicContact CD1-CB 4.08Å; L295-W334 HydrophobicContact CD1-CD2 3.91Å; L295-W334 HydrophobicContact CD1-CE3 4.15Å; L295-W334 HydrophobicContact CD1-CG 3.87Å; L295-W334 HydrophobicContact CD2-CB 3.73Å; L295-W334 VanDerWaalsContact CD2-CD1 3.42Å; L295-W334 HydrophobicContact CD2-CD2 4.24Å; L295-W334 HydrophobicContact CD2-CG 3.49Å; L295-W334 VanDerWaalsContact CD2-CG 3.49Å; L295-W334 HydrophobicContact CG-CB 4.45Å; L295-W334 HydrophobicContact CG-CG 4.32Å
296Y92.8Very high89.2Confident114 Ų11473.3 Ų73.345%0.44737%0.373SS..EExtended strand (participates in β ladder)trans-159154.8-176.3-164.6-104.6000109.9L235 Y298 W326L235-Y296 PolarHBondContact N-O 3.21Å; Y296-Y298 AromaticContact CD1-CD1 3.94Å; Y296-Y298 HydrophobicContact CD1-CD1 3.94Å; Y296-Y298 AromaticContact CD1-CD2 3.58Å; Y296-Y298 HydrophobicContact CD1-CD2 3.58Å; Y296-Y298 AromaticContact CD1-CE1 3.91Å; Y296-Y298 HydrophobicContact CD1-CE1 3.91Å; Y296-Y298 AromaticContact CD1-CE2 3.55Å; Y296-Y298 HydrophobicContact CD1-CE2 3.55Å; Y296-Y298 AromaticContact CD1-CG 3.76Å; Y296-Y298 HydrophobicContact CD1-CG 3.76Å; Y296-Y298 AromaticContact CD1-CZ 3.71Å; Y296-Y298 AromaticContact CE1-CD1 3.84Å; Y296-Y298 HydrophobicContact CE1-CD1 3.84Å; Y296-Y298 HydrophobicContact CE1-CD2 4.25Å; Y296-Y298 HydrophobicContact CE1-CE1 4.03Å; Y296-Y298 HydrophobicContact CE1-CE2 4.41Å; Y296-Y298 AromaticContact CE1-CG 3.95Å; Y296-Y298 HydrophobicContact CE1-CG 3.95Å; Y296-Y298 HydrophobicContact CG-CE2 4.34Å; Y296-W326 HydrophobicContact CD2-CH2 4.12Å; Y296-W326 HydrophobicContact CD2-CZ2 4.49Å; Y296-W326 HydrophobicContact CG-CH2 4.04Å; Y296-W326 HydrophobicContact CG-CZ2 4.05Å
297T95.2Very high91.6Very high76 Ų7664.5 Ų64.547%0.46634%0.338SS..EExtended strand (participates in β ladder)trans-122.5108170.6-56.60000107.7G233 R234G233-T297 CarbonylContact O-C 3.55Å; G233-T297 WeakPolarHBondContact O-CA 3.18Å; R234-T297 HydrophobicContact CG-CG2 4.26Å
298Y93.7Very high93.5Very high19 Ų1961.6 Ų61.68%0.07532%0.317CS..  trans-71.9148.8177-66.8-96.7000109.7G233 L235 Y296 D300 V302 V316 T324 W326G233-Y298 WeakPolarHBondContact O-CD2 3.45Å; G233-Y298 PolarHBondContact O-N 3.08Å; L235-Y298 HydrophobicContact CB-CE2 4.26Å; Y296-Y298 AromaticContact CD1-CD1 3.94Å; Y296-Y298 HydrophobicContact CD1-CD1 3.94Å; Y296-Y298 AromaticContact CD1-CD2 3.58Å; Y296-Y298 HydrophobicContact CD1-CD2 3.58Å; Y296-Y298 AromaticContact CD1-CE1 3.91Å; Y296-Y298 HydrophobicContact CD1-CE1 3.91Å; Y296-Y298 AromaticContact CD1-CE2 3.55Å; Y296-Y298 HydrophobicContact CD1-CE2 3.55Å; Y296-Y298 AromaticContact CD1-CG 3.76Å; Y296-Y298 HydrophobicContact CD1-CG 3.76Å; Y296-Y298 AromaticContact CD1-CZ 3.71Å; Y296-Y298 AromaticContact CE1-CD1 3.84Å; Y296-Y298 HydrophobicContact CE1-CD1 3.84Å; Y296-Y298 HydrophobicContact CE1-CD2 4.25Å; Y296-Y298 HydrophobicContact CE1-CE1 4.03Å; Y296-Y298 HydrophobicContact CE1-CE2 4.41Å; Y296-Y298 AromaticContact CE1-CG 3.95Å; Y296-Y298 HydrophobicContact CE1-CG 3.95Å; Y296-Y298 HydrophobicContact CG-CE2 4.34Å; Y298-D300 WeakPolarHBondContact CB-O 3.5Å; Y298-D300 PolarHBondContact O-N 3.43Å; Y298-V302 HydrophobicContact CD2-CG2 3.26Å; Y298-V302 HydrophobicContact CE2-CG2 3.93Å; Y298-V302 HydrophobicContact CG-CG2 3.74Å; Y298-V316 HydrophobicContact CE2-CG1 4.16Å; Y298-T324 HydrophobicContact CE1-CG2 4.41Å; Y298-T324 PolarHBondContact OH-OG1 2.94Å; Y298-W326 PolarHBondContact OH-NE1 3.09Å; Y298-W326 VanDerWaalsContact OH-NE1 3.12Å
299P93.3Very high94.2Very high127 Ų12766.2 Ų66.283%0.82535%0.345SS*.SBendtrans-69.8-13.8174.929.2-35.5000113.2
300D95Very high94.3Very high78 Ų7866.2 Ų66.242%0.41735%0.354SS..SBendtrans-130.3172179.8-159.6-3.5000109.8G233 Y298G233-D300 WeakPolarHBondContact CA-O 3.45Å; Y298-D300 WeakPolarHBondContact CB-O 3.5Å; Y298-D300 PolarHBondContact O-N 3.43Å
301V96.6Very high94.2Very high9 Ų966.3 Ų66.36%0.05536%0.358CS..  trans-56.3142.5-178.9-177.70000111.4R211 W303 G318 G319R211-V301 HydrophobicContact CG-CG1 4.11Å; V301-W303 HydrophobicContact CB-CZ2 4.06Å; V301-W303 HydrophobicContact CG1-CD2 3.9Å; V301-W303 HydrophobicContact CG1-CE3 4.12Å; V301-W303 HydrophobicContact CG1-CG 4.47Å; V301-W303 HydrophobicContact CG1-CH2 4.09Å; V301-W303 HydrophobicContact CG1-CZ2 3.85Å; V301-W303 HydrophobicContact CG1-CZ3 4.22Å; V301-W303 HydrophobicContact CG2-CZ2 4.43Å; V301-G318 CarbonylContact O-C 3.59Å; V301-G319 PolarHBondContact O-N 2.97Å
302V97.1Very high94Very high0 Ų062.1 Ų62.10%035%0.347CS..EExtended strand (participates in β ladder)trans-105.2121.7168.4-174.80000108.7R211 C229 G230 Y298 V316 S317R211-V302 WeakPolarHBondContact CB-O 3.45Å; R211-V302 WeakPolarHBondContact CG-O 3.19Å; C229-V302 HydrophobicContact CB-CB 3.71Å; C229-V302 HydrophobicContact CB-CG1 3.38Å; C229-V302 PolarHBondContact SG-O 3.23Å; C229-V302 VanDerWaalsContact SG-O 3.36Å; G230-V302 PolarHBondContact O-N 2.79Å; Y298-V302 HydrophobicContact CD2-CG2 3.26Å; Y298-V302 HydrophobicContact CE2-CG2 3.93Å; Y298-V302 HydrophobicContact CG-CG2 3.74Å; V302-V316 HydrophobicContact CG1-CG1 3.36Å; V302-S317 WeakPolarHBondContact CG1-O 3.37Å
303W96.5Very high93.9Very high112 Ų11261.6 Ų61.642%0.42434%0.34SS..EExtended strand (participates in β ladder)trans-90.5-44.7-167.9-67.9106.5000113.4R211 V301 S317R211-W303 HydrophobicContact CG-CE3 4.48Å; V301-W303 HydrophobicContact CB-CZ2 4.06Å; V301-W303 HydrophobicContact CG1-CD2 3.9Å; V301-W303 HydrophobicContact CG1-CE3 4.12Å; V301-W303 HydrophobicContact CG1-CG 4.47Å; V301-W303 HydrophobicContact CG1-CH2 4.09Å; V301-W303 HydrophobicContact CG1-CZ2 3.85Å; V301-W303 HydrophobicContact CG1-CZ3 4.22Å; V301-W303 HydrophobicContact CG2-CZ2 4.43Å; W303-S317 PolarHBondContact N-O 3.4Å
304N97.2Very high94Very high79 Ų7959 Ų5942%0.42232%0.324SS..EExtended strand (participates in β ladder)trans-141.1151.8-176.5-57.567.3000112.1D212 S317D212-N304 VanDerWaalsContact OD2-CA 3.31Å; D212-N304 WeakPolarHBondContact OD2-CA 3.39Å; N304-S317 WeakPolarHBondContact CB-OG 3.45Å; N304-S317 PolarHBondContact N-OG 2.86Å; N304-S317 VanDerWaalsContact N-OG 3.08Å; N304-S317 PolarHBondContact O-N 3.33Å; N304-S317 PolarHBondContact O-OG 2.8Å
305V97.5Very high94.1Very high4 Ų456.4 Ų56.42%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-129.9132.9172-75.30000109.6D212 A214 A227 C229 L235 L314 A315 V316D212-V305 HydrophobicContact CB-CG2 4.03Å; D212-V305 PolarHBondContact OD2-N 3.24Å; A214-V305 HydrophobicContact CB-CG2 4.07Å; A227-V305 HydrophobicContact CB-CB 4.28Å; A227-V305 HydrophobicContact CB-CG2 4.27Å; C229-V305 HydrophobicContact CB-CG1 3.66Å; L235-V305 HydrophobicContact CD1-CG1 3.62Å; V305-L314 HydrophobicContact CB-CD1 4.28Å; V305-A315 WeakPolarHBondContact CA-O 3.4Å; V305-V316 HydrophobicContact CG1-CG1 4.42Å; V305-V316 HydrophobicContact CG1-CG2 4.34Å
306S97.3Very high94.3Very high73 Ų7355 Ų5551%0.5131%0.309SS..EExtended strand (participates in β ladder)trans-142.1129.1-179.5-169.90000111.7A315S306-A315 PolarHBondContact N-O 2.88Å; S306-A315 PolarHBondContact O-N 3.45Å
307W96.3Very high94.4Very high24 Ų2451 Ų519%0.09130%0.298CS..EExtended strand (participates in β ladder)trans-80.7143.1175.7-70.4104.7000111.1A214 C216 P217 L225 A227 I237 L314 W334A214-W307 PolarHBondContact O-NE1 2.9Å; C216-W307 HydrophobicContact CB-CD2 3.92Å; C216-W307 HydrophobicContact CB-CG 4.18Å; C216-W307 HydrophobicContact CB-CZ2 4.06Å; P217-W307 HydrophobicContact CG-CB 4.46Å; L225-W307 HydrophobicContact CB-CZ2 4.2Å; L225-W307 HydrophobicContact CD1-CH2 4.26Å; A227-W307 HydrophobicContact CB-CZ2 3.82Å; I237-W307 HydrophobicContact CD1-CH2 4.02Å; I237-W307 HydrophobicContact CD1-CZ2 3.93Å; W307-L314 HydrophobicContact CD2-CD1 3.69Å; W307-L314 HydrophobicContact CE3-CB 4.12Å; W307-L314 HydrophobicContact CE3-CD1 4.02Å; W307-L314 HydrophobicContact CG-CD1 4.09Å; W307-L314 HydrophobicContact CH2-CB 4.36Å; W307-L314 HydrophobicContact CH2-CD1 4.37Å; W307-L314 HydrophobicContact CZ2-CD1 4.08Å; W307-L314 HydrophobicContact CZ3-CB 3.96Å; W307-L314 HydrophobicContact CZ3-CD1 4.33Å; W307-W334 AromaticContact CH2-CH2 3.41Å; W307-W334 HydrophobicContact CH2-CH2 3.41Å; W307-W334 VanDerWaalsContact CH2-CH2 3.41Å; W307-W334 HydrophobicContact CH2-CZ2 4.03Å; W307-W334 HydrophobicContact CH2-CZ3 4.14Å; W307-W334 AromaticContact CZ3-CH2 3.51Å; W307-W334 HydrophobicContact CZ3-CH2 3.51Å; W307-W334 HydrophobicContact CZ3-CZ3 4.04Å
308S93.6Very high94.2Very high31 Ų3147.9 Ų47.922%0.21728%0.28CS..  trans-59.2154.2161.766.30000110.2P217 T310 G311 N312 I313P217-S308 WeakPolarHBondContact CG-O 3.39Å; S308-T310 PolarHBondContact O-N 3.16Å; S308-T310 VanDerWaalsContact O-N 3.12Å; S308-T310 PolarHBondContact OG-OG1 3.45Å; S308-G311 WeakPolarHBondContact O-CA 3.48Å; S308-G311 PolarHBondContact O-N 3.03Å; S308-G311 PolarHBondContact OG-N 3.32Å; S308-N312 PolarHBondContact OG-N 2.9Å; S308-N312 VanDerWaalsContact OG-N 3.14Å; S308-N312 PolarHBondContact OG-OD1 2.82Å; S308-I313 PolarHBondContact N-O 2.82Å; S308-I313 PolarHBondContact OG-N 3.13Å; S308-I313 PolarHBondContact OG-O 2.79Å
309V87.3Confident94Very high142 Ų14247.9 Ų47.986%0.86129%0.286SS*.THydrogen-bonded Turntrans-56.1-32.3179.7176.20000112.4G311V309-G311 VanDerWaalsContact C-N 3.31Å
310T87.3Confident93.8Very high102 Ų10244.6 Ų44.663%0.62626%0.261SS*.THydrogen-bonded Turntrans-83.1-4.6176.650.20000113.6S308 N312S308-T310 PolarHBondContact O-N 3.16Å; S308-T310 VanDerWaalsContact O-N 3.12Å; S308-T310 PolarHBondContact OG-OG1 3.45Å; T310-N312 VanDerWaalsContact C-N 3.29Å; T310-N312 PolarHBondContact O-N 3.39Å; T310-N312 VanDerWaalsContact OG1-CG 3.23Å; T310-N312 PolarHBondContact OG1-OD1 2.8Å
311G90Very high93.4Very high11 Ų1145.7 Ų45.711%0.11327%0.267CS..SBendtrans71.117.1178.300000114.9C216 S308 V309C216-G311 VanDerWaalsContact SG-CA 3.52Å; C216-G311 PolarHBondContact SG-O 2.89Å; C216-G311 VanDerWaalsContact SG-O 3.38Å; S308-G311 WeakPolarHBondContact O-CA 3.48Å; S308-G311 PolarHBondContact O-N 3.03Å; S308-G311 PolarHBondContact OG-N 3.32Å; V309-G311 VanDerWaalsContact C-N 3.31Å
312N89.2Confident93.2Very high72 Ų7248.6 Ų48.639%0.38528%0.279SS..SBendtrans-107-13.7-172.469.4-10.2000114.7S308 T310S308-N312 PolarHBondContact OG-N 2.9Å; S308-N312 VanDerWaalsContact OG-N 3.14Å; S308-N312 PolarHBondContact OG-OD1 2.82Å; T310-N312 VanDerWaalsContact C-N 3.29Å; T310-N312 PolarHBondContact O-N 3.39Å; T310-N312 VanDerWaalsContact OG1-CG 3.23Å; T310-N312 PolarHBondContact OG1-OD1 2.8Å
313I94.2Very high93Very high50 Ų5051.1 Ų51.126%0.25629%0.294SS..EExtended strand (participates in β ladder)trans-128.8137.1178.8-64.8167.2000107.2S308 L325 W326 K327 L337S308-I313 PolarHBondContact N-O 2.82Å; S308-I313 PolarHBondContact OG-N 3.13Å; S308-I313 PolarHBondContact OG-O 2.79Å; I313-L325 HydrophobicContact CG2-CB 4.25Å; I313-L325 HydrophobicContact CG2-CD2 4.43Å; I313-W326 CarbonylContact C-O 3.6Å; I313-W326 VanDerWaalsContact CA-O 3.27Å; I313-W326 WeakPolarHBondContact CA-O 3.46Å; I313-K327 HydrophobicContact CG1-CB 4.48Å; I313-L337 HydrophobicContact CG1-CD1 4.41Å
314L96.3Very high92.9Very high0 Ų046.5 Ų46.50%028%0.278CS..EExtended strand (participates in β ladder)trans-110.9123.3172-17573.9000109.4A227 L235 I237 V305 W307 V316 L325 W326 W334A227-L314 HydrophobicContact CB-CD1 3.69Å; A227-L314 HydrophobicContact CB-CD2 3.85Å; A227-L314 HydrophobicContact CB-CG 4.46Å; L235-L314 HydrophobicContact CD1-CD2 3.99Å; L235-L314 HydrophobicContact CD2-CD2 4.39Å; I237-L314 HydrophobicContact CD1-CD2 3.91Å; V305-L314 HydrophobicContact CB-CD1 4.28Å; W307-L314 HydrophobicContact CD2-CD1 3.69Å; W307-L314 HydrophobicContact CE3-CB 4.12Å; W307-L314 HydrophobicContact CE3-CD1 4.02Å; W307-L314 HydrophobicContact CG-CD1 4.09Å; W307-L314 HydrophobicContact CH2-CB 4.36Å; W307-L314 HydrophobicContact CH2-CD1 4.37Å; W307-L314 HydrophobicContact CZ2-CD1 4.08Å; W307-L314 HydrophobicContact CZ3-CB 3.96Å; W307-L314 HydrophobicContact CZ3-CD1 4.33Å; L314-V316 HydrophobicContact CD2-CG2 3.88Å; L314-V316 HydrophobicContact CG-CG2 3.94Å; L314-L325 CarbonylContact O-C 3.59Å; L314-L325 WeakPolarHBondContact O-CA 3.34Å; L314-W326 HydrophobicContact CB-CB 4.32Å; L314-W326 PolarHBondContact N-O 2.72Å; L314-W326 PolarHBondContact O-N 3.31Å; L314-W334 HydrophobicContact CB-CZ3 4.45Å
315A97.1Very high92.9Very high32 Ų3244.8 Ų44.826%0.26427%0.269SS..EExtended strand (participates in β ladder)trans-91.3135.9168.500000109.8V305 S306 L325V305-A315 WeakPolarHBondContact CA-O 3.4Å; S306-A315 PolarHBondContact N-O 2.88Å; S306-A315 PolarHBondContact O-N 3.45Å; A315-L325 HydrophobicContact CB-CD2 3.63Å
316V96.8Very high92.7Very high1 Ų145.6 Ų45.61%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-133.7122.2-174.8-175.30000108.9L235 Y298 V302 V305 L314 V323 T324L235-V316 HydrophobicContact CD1-CG1 4.27Å; L235-V316 HydrophobicContact CD1-CG2 4Å; L235-V316 HydrophobicContact CD2-CG1 4.32Å; L235-V316 HydrophobicContact CD2-CG2 3.69Å; Y298-V316 HydrophobicContact CE2-CG1 4.16Å; V302-V316 HydrophobicContact CG1-CG1 3.36Å; V305-V316 HydrophobicContact CG1-CG1 4.42Å; V305-V316 HydrophobicContact CG1-CG2 4.34Å; L314-V316 HydrophobicContact CD2-CG2 3.88Å; L314-V316 HydrophobicContact CG-CG2 3.94Å; V316-V323 CarbonylContact O-C 3.58Å; V316-V323 VanDerWaalsContact O-CA 3.3Å; V316-V323 WeakPolarHBondContact O-CA 3.42Å; V316-T324 PolarHBondContact N-O 2.97Å; V316-T324 PolarHBondContact O-N 2.92Å
317S95Very high92.6Very high30 Ų3046.3 Ų46.321%0.2127%0.266CS..EExtended strand (participates in β ladder)trans-102.7124.1177.7600000111.6V302 W303 N304V302-S317 WeakPolarHBondContact CG1-O 3.37Å; W303-S317 PolarHBondContact N-O 3.4Å; N304-S317 WeakPolarHBondContact CB-OG 3.45Å; N304-S317 PolarHBondContact N-OG 2.86Å; N304-S317 VanDerWaalsContact N-OG 3.08Å; N304-S317 PolarHBondContact O-N 3.33Å; N304-S317 PolarHBondContact O-OG 2.8Å
318G91Very high92.4Very high9 Ų947.1 Ų47.19%0.09327%0.27CS..EExtended strand (participates in β ladder)trans-100.5165.3179.800000113.9V301 D320 N321 K322V301-G318 CarbonylContact O-C 3.59Å; G318-D320 PolarHBondContact O-N 3.38Å; G318-N321 PolarHBondContact O-N 3.09Å; G318-K322 PolarHBondContact N-O 2.83Å
319G89.2Confident92.2Very high19 Ų1948 Ų4820%0.19627%0.273CS..THydrogen-bonded Turntrans-68.3-17.2171.700000113.7V301 N321V301-G319 PolarHBondContact O-N 2.97Å; G319-N321 PolarHBondContact O-N 3.44Å; G319-N321 VanDerWaalsContact O-N 3.12Å
320D88.4Confident92.2Very high59 Ų5950.3 Ų50.332%0.31628%0.279SS..THydrogen-bonded Turntrans-72.66173.363.5-1.4000114.3G318 K322G318-D320 PolarHBondContact O-N 3.38Å; D320-K322 HydrophobicContact CB-CD 4.39Å; D320-K322 PolarHBondContact O-N 3.37Å; D320-K322 WeakPolarHBondContact OD1-CB 3.45Å; D320-K322 PolarHBondContact OD1-N 3.17Å; D320-K322 WeakPolarHBondContact OD2-CD 3.35Å
321N88.3Confident92.2Very high100 Ų10053.2 Ų53.254%0.53529%0.286SS..SBendtrans61.821.6-174.7-57.1-73.6000114.3G318 G319G318-N321 PolarHBondContact O-N 3.09Å; G319-N321 PolarHBondContact O-N 3.44Å; G319-N321 VanDerWaalsContact O-N 3.12Å
322K90.8Very high92Very high71 Ų7154.6 Ų54.631%0.30930%0.299SS..EExtended strand (participates in β ladder)trans-108151.7175.1-63.8163.7167.8-157.50110.5G318 D320 E339 I340 A341G318-K322 PolarHBondContact N-O 2.83Å; D320-K322 HydrophobicContact CB-CD 4.39Å; D320-K322 PolarHBondContact O-N 3.37Å; D320-K322 WeakPolarHBondContact OD1-CB 3.45Å; D320-K322 PolarHBondContact OD1-N 3.17Å; D320-K322 WeakPolarHBondContact OD2-CD 3.35Å; K322-E339 HydrophobicContact CB-CG 4.13Å; K322-E339 HydrophobicContact CD-CG 4.11Å; K322-E339 WeakPolarHBondContact CD-OE1 3.35Å; K322-E339 WeakPolarHBondContact CE-OE1 3.31Å; K322-E339 HydrophobicContact CG-CG 4.3Å; K322-E339 IonicContact NZ-OE1 2.76Å; K322-E339 PolarHBondContact NZ-OE1 3.06Å; K322-E339 IonicContact NZ-OE2 3.08Å; K322-I340 WeakPolarHBondContact CA-O 3.49Å; K322-A341 HydrophobicContact CG-CB 4.15Å
323V93.9Very high91.9Very high52 Ų5254.8 Ų54.832%0.31530%0.303SS..EExtended strand (participates in β ladder)trans-116.3127.8169.2179.40000107.8V316 I340V316-V323 CarbonylContact O-C 3.58Å; V316-V323 VanDerWaalsContact O-CA 3.3Å; V316-V323 WeakPolarHBondContact O-CA 3.42Å; V323-I340 HydrophobicContact CB-CB 4.41Å; V323-I340 PolarHBondContact N-O 3.25Å; V323-I340 PolarHBondContact O-N 2.84Å
324T94.4Very high91.8Very high15 Ų1553.9 Ų53.99%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-110143.7175.754.20000109.9Y298 V316 W326 S338 E339Y298-T324 HydrophobicContact CE1-CG2 4.41Å; Y298-T324 PolarHBondContact OH-OG1 2.94Å; V316-T324 PolarHBondContact N-O 2.97Å; V316-T324 PolarHBondContact O-N 2.92Å; T324-W326 PolarHBondContact OG1-NE1 3.34Å; T324-W326 VanDerWaalsContact OG1-NE1 3.1Å; T324-S338 WeakPolarHBondContact CA-O 3.39Å; T324-E339 HydrophobicContact CG2-CB 4.5Å; T324-E339 HydrophobicContact CG2-CG 4.19Å
325L96.1Very high91.6Very high44 Ų4457.6 Ų57.623%0.2332%0.316CS..EExtended strand (participates in β ladder)trans-108.1133.6173.9-60.2-173.6000109.5I313 L314 A315 A336 L337 S338I313-L325 HydrophobicContact CG2-CB 4.25Å; I313-L325 HydrophobicContact CG2-CD2 4.43Å; L314-L325 CarbonylContact O-C 3.59Å; L314-L325 WeakPolarHBondContact O-CA 3.34Å; A315-L325 HydrophobicContact CB-CD2 3.63Å; L325-A336 CarbonylContact O-C 3.6Å; L325-A336 WeakPolarHBondContact O-CA 3.44Å; L325-L337 HydrophobicContact CB-CB 4.33Å; L325-L337 PolarHBondContact O-N 2.81Å; L325-S338 WeakPolarHBondContact CD1-OG 3.38Å; L325-S338 PolarHBondContact N-O 3.19Å
326W95.3Very high91.3Very high21 Ų2159 Ų598%0.0833%0.327CS..EExtended strand (participates in β ladder)trans-122.1143.7-178-66.479.3000110.8L235 L295 Y296 Y298 I313 L314 T324 W334 I335 A336L235-W326 HydrophobicContact CD2-CD2 4.46Å; L295-W326 HydrophobicContact CB-CZ3 4.48Å; L295-W326 HydrophobicContact CD1-CE3 4.45Å; Y296-W326 HydrophobicContact CD2-CH2 4.12Å; Y296-W326 HydrophobicContact CD2-CZ2 4.49Å; Y296-W326 HydrophobicContact CG-CH2 4.04Å; Y296-W326 HydrophobicContact CG-CZ2 4.05Å; Y298-W326 PolarHBondContact OH-NE1 3.09Å; Y298-W326 VanDerWaalsContact OH-NE1 3.12Å; I313-W326 CarbonylContact C-O 3.6Å; I313-W326 VanDerWaalsContact CA-O 3.27Å; I313-W326 WeakPolarHBondContact CA-O 3.46Å; L314-W326 HydrophobicContact CB-CB 4.32Å; L314-W326 PolarHBondContact N-O 2.72Å; L314-W326 PolarHBondContact O-N 3.31Å; T324-W326 PolarHBondContact OG1-NE1 3.34Å; T324-W326 VanDerWaalsContact OG1-NE1 3.1Å; W326-W334 HydrophobicContact CB-CE3 4.07Å; W326-W334 HydrophobicContact CE3-CB 4.21Å; W326-I335 CarbonylContact C-O 3.54Å; W326-I335 VanDerWaalsContact CA-O 3.31Å; W326-I335 WeakPolarHBondContact CA-O 3.46Å; W326-A336 HydrophobicContact CD2-CB 4.27Å; W326-A336 HydrophobicContact CE3-CB 4.32Å; W326-A336 HydrophobicContact CH2-CB 4.26Å; W326-A336 HydrophobicContact CZ2-CB 4.21Å; W326-A336 HydrophobicContact CZ3-CB 4.32Å
327K93.6Very high90.9Very high88 Ų8862.9 Ų62.938%0.38335%0.348SS..EExtended strand (participates in β ladder)trans-143.1143.2175.4173.9175.2178.9-171.20110.5I313 W334 I335 L337I313-K327 HydrophobicContact CG1-CB 4.48Å; K327-W334 WeakPolarHBondContact O-CA 3.35Å; K327-I335 PolarHBondContact N-O 3.5Å; K327-I335 VanDerWaalsContact O-CG1 3.24Å; K327-I335 WeakPolarHBondContact O-CG1 3.18Å; K327-I335 PolarHBondContact O-N 2.85Å; K327-L337 HydrophobicContact CB-CD1 3.63Å; K327-L337 HydrophobicContact CB-CD2 4.19Å; K327-L337 HydrophobicContact CB-CG 3.94Å; K327-L337 HydrophobicContact CD-CD1 4.18Å
328E91.8Very high90.1Very high41 Ų4163.7 Ų63.719%0.19235%0.353CS..EExtended strand (participates in β ladder)trans-80.6131.9171.7-163.3179.1-163.100111.1R223 G332 T333 W334R223-E328 IonicContact CZ-OE1 2.74Å; R223-E328 IonicContact CZ-OE2 3.22Å; R223-E328 VanDerWaalsContact CZ-OE2 3.25Å; R223-E328 IonicContact NH1-OE1 3.12Å; R223-E328 IonicContact NH1-OE2 2.67Å; R223-E328 PolarHBondContact NH1-OE2 3.27Å; R223-E328 IonicContact NH2-OE1 3.66Å; R223-E328 PolarHBondContact NH2-OE1 3.24Å; R223-E328 IonicContact NH2-OE2 3.4Å; R223-E328 PolarHBondContact NH2-OE2 3.45Å; E328-G332 VanDerWaalsContact OE1-CA 3.3Å; E328-G332 WeakPolarHBondContact OE1-CA 3.19Å; E328-T333 CarbonylContact C-O 3.59Å; E328-T333 WeakPolarHBondContact CA-O 3.12Å; E328-W334 HydrophobicContact CB-CD2 4.03Å; E328-W334 HydrophobicContact CB-CE3 4.31Å; E328-W334 HydrophobicContact CB-CH2 4.12Å; E328-W334 HydrophobicContact CB-CZ2 3.88Å; E328-W334 HydrophobicContact CB-CZ3 4.36Å; E328-W334 HydrophobicContact CG-CZ2 4.43Å
329N89.7Confident89.4Confident50 Ų5068.6 Ų68.627%0.26737%0.374SS..  trans-81175.9172.277.30.8000111.1E331 G332 T333N329-E331 PolarHBondContact ND2-OE2 3.29Å; N329-E331 PolarHBondContact O-N 3.22Å; N329-E331 WeakPolarHBondContact OD1-CA 3.44Å; N329-E331 WeakPolarHBondContact OD1-CB 3.42Å; N329-E331 PolarHBondContact OD1-N 3.22Å; N329-G332 PolarHBondContact O-N 3.26Å; N329-G332 VanDerWaalsContact O-N 3.14Å; N329-G332 PolarHBondContact OD1-N 2.87Å; N329-G332 VanDerWaalsContact OD1-N 3.09Å; N329-T333 PolarHBondContact N-O 3.3Å; N329-T333 PolarHBondContact OD1-N 2.89Å; N329-T333 PolarHBondContact OD1-O 3.32Å
330L87.9Confident88.9Confident189 Ų18972.2 Ų72.299%0.9939%0.388SS*.THydrogen-bonded Turntrans-67.1-16179.6-64.8175.1000113.7G332L330-G332 VanDerWaalsContact C-N 3.32Å
331E88.1Confident87.9Confident164 Ų16471.1 Ų71.177%0.76639%0.387SS*.THydrogen-bonded Turntrans-87.6-2.6177.7-55.7170.8161.200112.2N329N329-E331 PolarHBondContact ND2-OE2 3.29Å; N329-E331 PolarHBondContact O-N 3.22Å; N329-E331 WeakPolarHBondContact OD1-CA 3.44Å; N329-E331 WeakPolarHBondContact OD1-CB 3.42Å; N329-E331 PolarHBondContact OD1-N 3.22Å
332G84Confident86.4Confident39 Ų3976.6 Ų76.640%0.40240%0.4SS..SBendtrans84.110.8-177.200000114.7E328 N329 L330E328-G332 VanDerWaalsContact OE1-CA 3.3Å; E328-G332 WeakPolarHBondContact OE1-CA 3.19Å; N329-G332 PolarHBondContact O-N 3.26Å; N329-G332 VanDerWaalsContact O-N 3.14Å; N329-G332 PolarHBondContact OD1-N 2.87Å; N329-G332 VanDerWaalsContact OD1-N 3.09Å; L330-G332 VanDerWaalsContact C-N 3.32Å
333T88.8Confident84.2Confident76 Ų7677 Ų7747%0.46642%0.424SS..  trans-94.9134.5177.9-56.10000110.6E328 N329E328-T333 CarbonylContact C-O 3.59Å; E328-T333 WeakPolarHBondContact CA-O 3.12Å; N329-T333 PolarHBondContact N-O 3.3Å; N329-T333 PolarHBondContact OD1-N 2.89Å; N329-T333 PolarHBondContact OD1-O 3.32Å
334W91.9Very high81.5Confident31 Ų3177 Ų7712%0.11743%0.43CS..EExtended strand (participates in β ladder)trans-85129.8175.5-70.380.1000111L225 I237 L295 W307 L314 W326 K327 E328L225-W334 HydrophobicContact CD1-CZ2 4.24Å; I237-W334 HydrophobicContact CG1-CZ2 4.45Å; I237-W334 HydrophobicContact CG2-CZ2 4.49Å; L295-W334 HydrophobicContact CD1-CB 4.08Å; L295-W334 HydrophobicContact CD1-CD2 3.91Å; L295-W334 HydrophobicContact CD1-CE3 4.15Å; L295-W334 HydrophobicContact CD1-CG 3.87Å; L295-W334 HydrophobicContact CD2-CB 3.73Å; L295-W334 VanDerWaalsContact CD2-CD1 3.42Å; L295-W334 HydrophobicContact CD2-CD2 4.24Å; L295-W334 HydrophobicContact CD2-CG 3.49Å; L295-W334 VanDerWaalsContact CD2-CG 3.49Å; L295-W334 HydrophobicContact CG-CB 4.45Å; L295-W334 HydrophobicContact CG-CG 4.32Å; W307-W334 AromaticContact CH2-CH2 3.41Å; W307-W334 HydrophobicContact CH2-CH2 3.41Å; W307-W334 VanDerWaalsContact CH2-CH2 3.41Å; W307-W334 HydrophobicContact CH2-CZ2 4.03Å; W307-W334 HydrophobicContact CH2-CZ3 4.14Å; W307-W334 AromaticContact CZ3-CH2 3.51Å; W307-W334 HydrophobicContact CZ3-CH2 3.51Å; W307-W334 HydrophobicContact CZ3-CZ3 4.04Å; L314-W334 HydrophobicContact CB-CZ3 4.45Å; W326-W334 HydrophobicContact CB-CE3 4.07Å; W326-W334 HydrophobicContact CE3-CB 4.21Å; K327-W334 WeakPolarHBondContact O-CA 3.35Å; E328-W334 HydrophobicContact CB-CD2 4.03Å; E328-W334 HydrophobicContact CB-CE3 4.31Å; E328-W334 HydrophobicContact CB-CH2 4.12Å; E328-W334 HydrophobicContact CB-CZ2 3.88Å; E328-W334 HydrophobicContact CB-CZ3 4.36Å; E328-W334 HydrophobicContact CG-CZ2 4.43Å
335I91.8Very high79Confident79 Ų7985.6 Ų85.641%0.40547%0.468SS..EExtended strand (participates in β ladder)trans-119.2141.1177.554.4163.4000110.3W326 K327 L337W326-I335 CarbonylContact C-O 3.54Å; W326-I335 VanDerWaalsContact CA-O 3.31Å; W326-I335 WeakPolarHBondContact CA-O 3.46Å; K327-I335 PolarHBondContact N-O 3.5Å; K327-I335 VanDerWaalsContact O-CG1 3.24Å; K327-I335 WeakPolarHBondContact O-CG1 3.18Å; K327-I335 PolarHBondContact O-N 2.85Å; I335-L337 HydrophobicContact CD1-CD2 3.89Å; I335-L337 HydrophobicContact CG1-CD2 4.25Å
336A90.8Very high75.9Confident61 Ų6192 Ų9250%0.50450%0.497SS..EExtended strand (participates in β ladder)trans-77.6121.716900000109.1L325 W326L325-A336 CarbonylContact O-C 3.6Å; L325-A336 WeakPolarHBondContact O-CA 3.44Å; W326-A336 HydrophobicContact CD2-CB 4.27Å; W326-A336 HydrophobicContact CE3-CB 4.32Å; W326-A336 HydrophobicContact CH2-CB 4.26Å; W326-A336 HydrophobicContact CZ2-CB 4.21Å; W326-A336 HydrophobicContact CZ3-CB 4.32Å
337L87.3Confident72.7Confident83 Ų8395.5 Ų95.544%0.43553%0.531SS..EExtended strand (participates in β ladder)trans-86.7-39-177.2-64.7179.8000112.9I313 L325 K327 I335I313-L337 HydrophobicContact CG1-CD1 4.41Å; L325-L337 HydrophobicContact CB-CB 4.33Å; L325-L337 PolarHBondContact O-N 2.81Å; K327-L337 HydrophobicContact CB-CD1 3.63Å; K327-L337 HydrophobicContact CB-CD2 4.19Å; K327-L337 HydrophobicContact CB-CG 3.94Å; K327-L337 HydrophobicContact CD-CD1 4.18Å; I335-L337 HydrophobicContact CD1-CD2 3.89Å; I335-L337 HydrophobicContact CG1-CD2 4.25Å
338S78.6Confident69.9Low47 Ų4797.4 Ų97.433%0.32956%0.555SS.*EExtended strand (participates in β ladder)trans-160.2151.6-175.363.60000111.2T324 L325T324-S338 WeakPolarHBondContact CA-O 3.39Å; L325-S338 WeakPolarHBondContact CD1-OG 3.38Å; L325-S338 PolarHBondContact N-O 3.19Å
339E77Confident67.1Low111 Ų11198.5 Ų98.552%0.51958%0.578SS.*EExtended strand (participates in β ladder)trans-114.5126.6168.5-170.2-172.7114.800108.6K322 T324K322-E339 HydrophobicContact CB-CG 4.13Å; K322-E339 HydrophobicContact CD-CG 4.11Å; K322-E339 WeakPolarHBondContact CD-OE1 3.35Å; K322-E339 WeakPolarHBondContact CE-OE1 3.31Å; K322-E339 HydrophobicContact CG-CG 4.3Å; K322-E339 IonicContact NZ-OE1 2.76Å; K322-E339 PolarHBondContact NZ-OE1 3.06Å; K322-E339 IonicContact NZ-OE2 3.08Å; T324-E339 HydrophobicContact CG2-CB 4.5Å; T324-E339 HydrophobicContact CG2-CG 4.19Å
340I77.8Confident64.6Low95 Ų95104.5 Ų104.549%0.48761%0.609SS.*EExtended strand (participates in β ladder)trans-111.3110.9177.4-57.5170.1000106.9K322 V323K322-I340 WeakPolarHBondContact CA-O 3.49Å; V323-I340 HydrophobicContact CB-CB 4.41Å; V323-I340 PolarHBondContact N-O 3.25Å; V323-I340 PolarHBondContact O-N 2.84Å
341A68.7Low62Low36 Ų36104.2 Ų104.230%0.29861%0.606SS.*EExtended strand (participates in β ladder)trans-98146.2175.300000111.1K322 G343 A344K322-A341 HydrophobicContact CG-CB 4.15Å; A341-G343 PolarHBondContact O-N 3.31Å; A341-A344 PolarHBondContact O-N 3.24Å
342R56.4Low59.5Low215 Ų21599.5 Ų99.581%0.81160%0.602SS**THydrogen-bonded Turntrans-59.1110.5168.1-75.1-172.4176.1-171.20.5109.5
343G43.2Very low56.9Low80 Ų80104 Ų10483%0.82562%0.622SS**THydrogen-bonded Turntrans120.4-9.5178.500000115.5A341 H345A341-G343 PolarHBondContact O-N 3.31Å; G343-H345 PolarHBondContact O-N 3.3Å
344A38.9Very low54.3Low52 Ų52109.6 Ų109.643%0.4364%0.643SS.*  trans-82.435.2-175.300000115A341 E346A341-A344 PolarHBondContact O-N 3.24Å; A344-E346 PolarHBondContact O-N 3.22Å
345H41.6Very low51.5Low195 Ų195111.5 Ų111.590%0.90367%0.672SS**SBendtrans-70.45175.1-122.4-67.6000113.6G343G343-H345 PolarHBondContact O-N 3.3Å
346E30.4Very low48.7Very low178 Ų178115.5 Ų115.583%0.83269%0.694SS**SBendtrans-133.3129.9163.9-64.4-178.5162.700107.3A344A344-E346 PolarHBondContact O-N 3.22Å
347A28.9Very low46.2Very low95 Ų95117.4 Ų117.479%0.78570%0.704SS**  trans84.177.2178.500000118.4
348S33.9Very low43.7Very low129 Ų129121.8 Ų121.890%0.90272%0.722SS**  trans-89.387.3144.828.50000108.6
349G33.7Very low41.6Very low64 Ų64125.8 Ų125.866%0.6675%0.745SS**  trans-93.6117.1167.400000109.6I351G349-I351 PolarHBondContact O-N 3.46Å
350L36.9Very low39.6Very low176 Ų176125 Ų12592%0.92175%0.751SS**  trans-46.8126173.9-69.8137.7000111.6
351I34.2Very low37.7Very low182 Ų182127.8 Ų127.893%0.93377%0.767SS**  trans-101.585.4158.7-59.7176.9000106.4G349G349-I351 PolarHBondContact O-N 3.46Å
352G33.6Very low36.2Very low66 Ų66135 Ų13568%0.6880%0.795SS**  trans-119.4127.7162.800000107.5
353T31.3Very low35.1Very low133 Ų133130.1 Ų130.182%0.81679%0.791SS**  trans-52.2134.7179.147.50000114
354E33.9Very low34.7Very low193 Ų193132.3 Ų132.390%0.90279%0.789SS**  trans169.8127.6142.8-93.2166.7-155.400106.5
355G31.8Very low34.4Very low72 Ų72135.7 Ų135.774%0.74281%0.805SS**  938155.800000109.8
356N33.6Very low34Very low162 Ų162134.7 Ų134.787%0.86680%0.8SS**  trans73.8130.3160.9-89.8-10000122.6
357S38.5Very low33.8Very low102 Ų102134.1 Ų134.171%0.71380%0.802SS**  trans72106.4140.761.20000122.1
358Q34.8Very low34Very low174 Ų174134.5 Ų134.581%0.81381%0.805SS**  61.5120.7123.8-72.5-175.3-2.500121.7
359T35.5Very low33.6Very low132 Ų132132.8 Ų132.881%0.8180%0.798SS**  trans68.1142.3143.761.30000117.3
360S34.5Very low33.7Very low93 Ų93136.8 Ų136.865%0.6583%0.825SS**  cis-164.5163.2-7.652.80000106.8
361D37.3Very low33.5Very low154 Ų154134.8 Ų134.882%0.82482%0.82SS**  trans97.2146.8153.5-54.1-45000121.9
362Q37.9Very low33.5Very low187 Ų187132.3 Ų132.387%0.87481%0.814SS**  trans-84.2171.9-145.7-93.3-170.8-17.100116.5
363P33.6Very low33.5Very low113 Ų113136 Ų13673%0.73482%0.822SS**  trans-102.2154.5-159.438.6-30.6000114.2
364T34.1Very low33.6Very low127 Ų127136.2 Ų136.278%0.77982%0.822SS**  trans-153.2113.6162.111.10000112.8
365T32.6Very low33.6Very low123 Ų123132.6 Ų132.676%0.75582%0.817SS**  trans61.8137.613450.50000123.2
366Q33.3Very low33.7Very low174 Ų174136.7 Ų136.781%0.81382%0.822SS**  trans101.1107143.6-84178.410.700119.9
367L27Very low33.7Very low166 Ų166134.9 Ų134.987%0.86982%0.819SS**  29.2122.5129.6-80.1106.9000118.6
368A31.9Very low33.4Very low103 Ų103137.4 Ų137.485%0.85183%0.827SS**  -174.9147.7114.800000110.8
369A26.6Very low33.2Very low92 Ų92134.3 Ų134.376%0.7683%0.828SS**  trans-74.9152.8-177.100000113.8
370A34.6Very low33Very low148 Ų148134.5 Ų134.5100%1.22383%0.83SS**  trans-133.80134.700000106.5K31K31-A370 PolarHBondContact NZ-OXT 3.34Å; K31-A370 VanDerWaalsContact NZ-OXT 3.14Å

Retrieved 370 of 370 residues in 87 ms (Link to these results)

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