G4VPC6_SCHMA Loading...

Protein arginine N-methyltransferase

Arginine methyltransferase that can both catalyze the formation of omega-N monomethylarginine (MMA) and symmetrical dimethylarginine (sDMA).

AlphaFold DB , UniProt , Accession G4VPC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 755 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
1M44.4Very low74.9Confident238 Ų238124.2 Ų124.2100%1.17259%0.587SS**  0133.20-69.7170.5-175.700106.9K3M1-K3 PolarHBondContact O-N 3.15Å
2K50.5Low76Confident205 Ų205115.6 Ų115.689%0.89155%0.547SS*.PPolyproline II helixtrans-62.7127.2163.8-77-178.6175.2-178.30105.4E4K2-E4 PolarHBondContact O-N 3.05Å; K2-E4 VanDerWaalsContact O-N 3.12Å
3K59.1Low76.6Confident159 Ų159108.3 Ų108.369%0.69152%0.515SS*.PPolyproline II helixtrans-57.8118.8166.7-76.8-173.9172.7-169.10105.5M1 H5M1-K3 PolarHBondContact O-N 3.15Å; K3-H5 PolarHBondContact O-CD2 3.06Å; K3-H5 VanDerWaalsContact O-CD2 3.24Å
4E77.2Confident77.5Confident159 Ų159100.9 Ų100.974%0.74348%0.48SS*.PPolyproline II helixtrans-69.4135.7168.1-74.2-176.816700106.2K2 P25K2-E4 PolarHBondContact O-N 3.05Å; K2-E4 VanDerWaalsContact O-N 3.12Å; E4-P25 HydrophobicContact CB-CG 4.23Å; E4-P25 WeakPolarHBondContact O-CD 3.47Å; E4-P25 WeakPolarHBondContact O-CG 3.27Å
5H79.5Confident78.3Confident99 Ų9994.9 Ų94.946%0.45845%0.453SS..  trans-124.8138.6-176.9-83.7-88.9000106.5K3 D22K3-H5 PolarHBondContact O-CD2 3.06Å; K3-H5 VanDerWaalsContact O-CD2 3.24Å; H5-D22 VanDerWaalsContact CB-OD1 3.26Å; H5-D22 WeakPolarHBondContact CB-OD1 3.39Å; H5-D22 IonicContact CE1-OD1 3.95Å; H5-D22 IonicContact CG-OD1 2.76Å; H5-D22 VanDerWaalsContact CG-OD1 3.3Å; H5-D22 IonicContact ND1-OD1 2.7Å; H5-D22 PolarHBondContact ND1-OD1 2.82Å; H5-D22 IonicContact ND1-OD2 3.07Å
6I85.8Confident78.6Confident73 Ų7390.6 Ų90.637%0.37444%0.442SS..EExtended strand (participates in β ladder)trans-115.4147.717662.1167.8000109.9I8 V23 P25I6-I8 HydrophobicContact CD1-CG2 4.14Å; I6-I8 HydrophobicContact CG1-CG2 4.49Å; I6-V23 HydrophobicContact CD1-CG2 4.19Å; I6-V23 HydrophobicContact CG1-CG2 3.72Å; I6-V23 PolarHBondContact N-O 2.82Å; I6-V23 PolarHBondContact O-N 3.18Å; I6-P25 HydrophobicContact CG2-CG 4.3Å
7F86.6Confident79Confident128 Ų12893 Ų9356%0.56145%0.445SS*.EExtended strand (participates in β ladder)trans-96.9118.8172.5-70.3-76.6000109.3W20 K21 D22F7-W20 HydrophobicContact CB-CB 4.31Å; F7-W20 HydrophobicContact CB-CD2 4.43Å; F7-W20 HydrophobicContact CB-CE3 3.81Å; F7-W20 HydrophobicContact CD1-CB 4Å; F7-W20 HydrophobicContact CG-CB 4.49Å; F7-K21 WeakPolarHBondContact CA-O 3.33Å; F7-D22 HydrophobicContact CD1-CB 4.22Å; F7-D22 HydrophobicContact CE1-CB 3.86Å
8I84.3Confident79.4Confident39 Ų3993.9 Ų93.920%0.245%0.45CS..EExtended strand (participates in β ladder)trans-101.9140.6171.362169.9000110.2I6 W20 K21 V23 Y27I6-I8 HydrophobicContact CD1-CG2 4.14Å; I6-I8 HydrophobicContact CG1-CG2 4.49Å; I8-W20 WeakPolarHBondContact O-CA 3.46Å; I8-K21 HydrophobicContact CG1-CB 4.07Å; I8-K21 PolarHBondContact N-O 3.42Å; I8-K21 PolarHBondContact O-N 2.7Å; I8-V23 HydrophobicContact CB-CG2 4.39Å; I8-V23 HydrophobicContact CD1-CG1 3.85Å; I8-V23 HydrophobicContact CD1-CG2 3.94Å; I8-V23 HydrophobicContact CG1-CG1 4Å; I8-V23 HydrophobicContact CG1-CG2 3.85Å; I8-V23 HydrophobicContact CG2-CG2 3.76Å; I8-Y27 HydrophobicContact CD1-CD1 4.04Å; I8-Y27 HydrophobicContact CD1-CE1 3.95Å
9P88.1Confident79.9Confident79 Ų7990.9 Ų90.951%0.51344%0.436SS..EExtended strand (participates in β ladder)trans-78.9124.1174.332.2-31.6000109.6M18 Q19 W20P9-M18 HydrophobicContact CB-CE 3.73Å; P9-Q19 CarbonylContact C-O 3.59Å; P9-Q19 WeakPolarHBondContact CA-O 3.2Å; P9-W20 HydrophobicContact CB-CE3 4.18Å; P9-W20 HydrophobicContact CB-CH2 4.21Å; P9-W20 HydrophobicContact CB-CZ3 3.89Å; P9-W20 HydrophobicContact CG-CZ3 4.12Å
10Q84.3Confident80.2Confident95 Ų9595.4 Ų95.444%0.44445%0.448SS..EExtended strand (participates in β ladder)trans-125.2132.5175.6-171.117721.700109.9N12 Q19Q10-N12 PolarHBondContact O-N 3.45Å; Q10-Q19 PolarHBondContact N-O 2.95Å; Q10-Q19 PolarHBondContact O-N 2.7Å
11F84.2Confident80.4Confident92 Ų9293.3 Ų93.340%0.40444%0.437SS..EExtended strand (participates in β ladder)trans-72.2126.6170.7-176.5-104.6000109.1P13 M18F11-P13 HydrophobicContact CE1-CB 4.25Å; F11-M18 VanDerWaalsContact CA-SD 3.52Å; F11-M18 HydrophobicContact CB-SD 3.57Å; F11-M18 VanDerWaalsContact CB-SD 3.57Å; F11-M18 HydrophobicContact CD2-SD 3.93Å; F11-M18 HydrophobicContact CG-SD 4.26Å
12N88.1Confident82.3Confident21 Ų2186 Ų8611%0.11240%0.403CS..EExtended strand (participates in β ladder)trans-102.9111.6174.4-177-24000109.6Q10 V14 V15 G16 R17 Q19 T745Q10-N12 PolarHBondContact O-N 3.45Å; N12-V14 VanDerWaalsContact C-N 3.26Å; N12-V14 PolarHBondContact O-N 3.35Å; N12-V14 WeakPolarHBondContact OD1-CB 3.37Å; N12-V14 PolarHBondContact OD1-N 3.02Å; N12-V15 HydrophobicContact CB-CG2 3.58Å; N12-V15 PolarHBondContact O-N 3.28Å; N12-G16 WeakPolarHBondContact O-CA 3.2Å; N12-G16 PolarHBondContact O-N 2.61Å; N12-R17 PolarHBondContact N-O 3.37Å; N12-R17 PolarHBondContact O-N 3.39Å; N12-Q19 HydrophobicContact CB-CG 4.36Å; N12-Q19 VanDerWaalsContact CB-OE1 3.27Å; N12-Q19 PolarHBondContact ND2-OE1 3.07Å; N12-T745 PolarHBondContact ND2-O 3.33Å
13P84Confident83.9Confident21 Ų2176.6 Ų76.614%0.13636%0.362CS..THydrogen-bonded Turntrans-67.5-25.9-177.929.4-36000112.8F11 V15 I525 S527F11-P13 HydrophobicContact CE1-CB 4.25Å; P13-V15 PolarHBondContact O-N 3.01Å; P13-I525 HydrophobicContact CB-CG2 4.3Å; P13-I525 VanDerWaalsContact O-CD1 3.28Å; P13-I525 WeakPolarHBondContact O-CD1 3.42Å; P13-S527 WeakPolarHBondContact CB-OG 3.35Å
14V89.1Confident84.9Confident4 Ų471.3 Ų71.32%0.02434%0.342CS..THydrogen-bonded Turntrans-63.2-43.9178.8173.50000111.1N12 D533 L535 Y536 Y539 G746N12-V14 VanDerWaalsContact C-N 3.26Å; N12-V14 PolarHBondContact O-N 3.35Å; N12-V14 WeakPolarHBondContact OD1-CB 3.37Å; N12-V14 PolarHBondContact OD1-N 3.02Å; V14-D533 WeakPolarHBondContact CA-O 3.48Å; V14-D533 HydrophobicContact CG2-CB 4.09Å; V14-D533 VanDerWaalsContact CG2-O 3.3Å; V14-D533 WeakPolarHBondContact CG2-O 3.32Å; V14-L535 HydrophobicContact CG1-CB 3.9Å; V14-L535 HydrophobicContact CG1-CD1 4.45Å; V14-Y536 WeakPolarHBondContact O-CA 3.48Å; V14-Y536 PolarHBondContact O-N 2.79Å; V14-Y539 HydrophobicContact CG1-CD2 4.26Å; V14-Y539 HydrophobicContact CG1-CE2 3.62Å; V14-Y539 WeakPolarHBondContact O-CD2 3.14Å; V14-G746 WeakPolarHBondContact CG1-O 2.92Å
15V88.7Confident85.1Confident12 Ų1266.5 Ų66.57%0.07332%0.324CS..THydrogen-bonded Turntrans-100.5-12-176.9-65.20000113.5N12 P13 R17 Y539N12-V15 HydrophobicContact CB-CG2 3.58Å; N12-V15 PolarHBondContact O-N 3.28Å; P13-V15 PolarHBondContact O-N 3.01Å; V15-R17 HydrophobicContact CB-CG 4.08Å; V15-R17 HydrophobicContact CG2-CG 3.48Å; V15-R17 VanDerWaalsContact CG2-CG 3.48Å; V15-Y539 HydrophobicContact CB-CD1 4.46Å; V15-Y539 HydrophobicContact CG1-CD1 4Å; V15-Y539 HydrophobicContact CG1-CD2 4.22Å; V15-Y539 HydrophobicContact CG1-CE1 3.62Å; V15-Y539 HydrophobicContact CG1-CE2 3.86Å; V15-Y539 HydrophobicContact CG1-CG 4.28Å
16G83.2Confident85.3Confident26 Ų2666.4 Ų66.427%0.26833%0.327SS..THydrogen-bonded Turntrans67.732-179.100000114.4N12N12-G16 WeakPolarHBondContact O-CA 3.2Å; N12-G16 PolarHBondContact O-N 2.61Å
17R85.2Confident85.1Confident131 Ų13164.2 Ų64.249%0.49431%0.314SS..EExtended strand (participates in β ladder)trans-145.1158.1179.860.8175.9178.3-176.91.1112.7N12 V15 Q19 F744N12-R17 PolarHBondContact N-O 3.37Å; N12-R17 PolarHBondContact O-N 3.39Å; V15-R17 HydrophobicContact CB-CG 4.08Å; V15-R17 HydrophobicContact CG2-CG 3.48Å; V15-R17 VanDerWaalsContact CG2-CG 3.48Å; R17-Q19 HydrophobicContact CG-CG 4.45Å; R17-F744 PolarHBondContact NH2-O 3.38Å
18M87Confident84.8Confident109 Ų10965.2 Ų65.254%0.53732%0.321SS..EExtended strand (participates in β ladder)trans-67.4132.6167.9-63-56.6-63.800110.4P9 F11P9-M18 HydrophobicContact CB-CE 3.73Å; F11-M18 VanDerWaalsContact CA-SD 3.52Å; F11-M18 HydrophobicContact CB-SD 3.57Å; F11-M18 VanDerWaalsContact CB-SD 3.57Å; F11-M18 HydrophobicContact CD2-SD 3.93Å; F11-M18 HydrophobicContact CG-SD 4.26Å
19Q88Confident84.8Confident38 Ų3867.8 Ų67.818%0.17833%0.331CS..EExtended strand (participates in β ladder)trans-124.6156.8173.6-70.8179.2-32.500110P9 Q10 N12 R17 T745P9-Q19 CarbonylContact C-O 3.59Å; P9-Q19 WeakPolarHBondContact CA-O 3.2Å; Q10-Q19 PolarHBondContact N-O 2.95Å; Q10-Q19 PolarHBondContact O-N 2.7Å; N12-Q19 HydrophobicContact CB-CG 4.36Å; N12-Q19 VanDerWaalsContact CB-OE1 3.27Å; N12-Q19 PolarHBondContact ND2-OE1 3.07Å; R17-Q19 HydrophobicContact CG-CG 4.45Å; Q19-T745 PolarHBondContact NE2-O 3.46Å; Q19-T745 PolarHBondContact OE1-O 3.23Å
20W87.4Confident84.8Confident180 Ų18064.7 Ų64.768%0.68231%0.31SS*.EExtended strand (participates in β ladder)trans-94.1116.2174.9-64.8102000108.8F7 I8 P9F7-W20 HydrophobicContact CB-CB 4.31Å; F7-W20 HydrophobicContact CB-CD2 4.43Å; F7-W20 HydrophobicContact CB-CE3 3.81Å; F7-W20 HydrophobicContact CD1-CB 4Å; F7-W20 HydrophobicContact CG-CB 4.49Å; I8-W20 WeakPolarHBondContact O-CA 3.46Å; P9-W20 HydrophobicContact CB-CE3 4.18Å; P9-W20 HydrophobicContact CB-CH2 4.21Å; P9-W20 HydrophobicContact CB-CZ3 3.89Å; P9-W20 HydrophobicContact CG-CZ3 4.12Å
21K83.2Confident84.8Confident52 Ų5262.3 Ų62.323%0.22630%0.299CS..EExtended strand (participates in β ladder)trans-93.2126.9171.6-170177.2178.9174.30108.3F7 I8 V23 E606F7-K21 WeakPolarHBondContact CA-O 3.33Å; I8-K21 HydrophobicContact CG1-CB 4.07Å; I8-K21 PolarHBondContact N-O 3.42Å; I8-K21 PolarHBondContact O-N 2.7Å; K21-V23 HydrophobicContact CB-CG1 4.29Å; K21-V23 HydrophobicContact CD-CG1 3.88Å; K21-V23 HydrophobicContact CG-CG1 3.72Å; K21-E606 IonicContact NZ-OE1 3.68Å; K21-E606 PolarHBondContact NZ-OE1 2.92Å
22D84.6Confident84.9Confident83 Ų8362.7 Ų62.744%0.44430%0.302SS..EExtended strand (participates in β ladder)trans-76.9118.5170.1-173.6-22.4000108.2H5 F7H5-D22 VanDerWaalsContact CB-OD1 3.26Å; H5-D22 WeakPolarHBondContact CB-OD1 3.39Å; H5-D22 IonicContact CE1-OD1 3.95Å; H5-D22 IonicContact CG-OD1 2.76Å; H5-D22 VanDerWaalsContact CG-OD1 3.3Å; H5-D22 IonicContact ND1-OD1 2.7Å; H5-D22 PolarHBondContact ND1-OD1 2.82Å; H5-D22 IonicContact ND1-OD2 3.07Å; F7-D22 HydrophobicContact CD1-CB 4.22Å; F7-D22 HydrophobicContact CE1-CB 3.86Å
23V83.8Confident84.8Confident8 Ų862 Ų625%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-134.7161-179.4-58.30000111.4I6 I8 K21 Y27I6-V23 HydrophobicContact CD1-CG2 4.19Å; I6-V23 HydrophobicContact CG1-CG2 3.72Å; I6-V23 PolarHBondContact N-O 2.82Å; I6-V23 PolarHBondContact O-N 3.18Å; I8-V23 HydrophobicContact CB-CG2 4.39Å; I8-V23 HydrophobicContact CD1-CG1 3.85Å; I8-V23 HydrophobicContact CD1-CG2 3.94Å; I8-V23 HydrophobicContact CG1-CG1 4Å; I8-V23 HydrophobicContact CG1-CG2 3.85Å; I8-V23 HydrophobicContact CG2-CG2 3.76Å; K21-V23 HydrophobicContact CB-CG1 4.29Å; K21-V23 HydrophobicContact CD-CG1 3.88Å; K21-V23 HydrophobicContact CG-CG1 3.72Å; V23-Y27 HydrophobicContact CB-CD1 4.45Å; V23-Y27 HydrophobicContact CB-CD2 3.86Å; V23-Y27 HydrophobicContact CB-CG 3.78Å; V23-Y27 HydrophobicContact CG1-CD1 4.38Å; V23-Y27 HydrophobicContact CG1-CD2 3.86Å; V23-Y27 HydrophobicContact CG1-CE2 4.06Å; V23-Y27 HydrophobicContact CG1-CG 4.01Å; V23-Y27 HydrophobicContact CG2-CD1 4.41Å; V23-Y27 HydrophobicContact CG2-CG 4.04Å
24D80.9Confident84.9Confident49 Ų4961.4 Ų61.426%0.26230%0.295SS..  trans-63.4144.5170.2-168.9-80.6000110.5D26 Y27D24-D26 PolarHBondContact O-N 3Å; D24-D26 VanDerWaalsContact O-N 3.14Å; D24-D26 PolarHBondContact OD1-N 2.96Å; D24-Y27 WeakPolarHBondContact O-CB 3.19Å; D24-Y27 PolarHBondContact O-N 3.19Å
25P81.6Confident84.5Confident57 Ų5769.2 Ų69.237%0.3732%0.324SS..THydrogen-bonded Turntrans-52.9-32175.8-27.533.8000114E4 I6 Y27E4-P25 HydrophobicContact CB-CG 4.23Å; E4-P25 WeakPolarHBondContact O-CD 3.47Å; E4-P25 WeakPolarHBondContact O-CG 3.27Å; I6-P25 HydrophobicContact CG2-CG 4.3Å; P25-Y27 VanDerWaalsContact C-N 3.31Å; P25-Y27 PolarHBondContact O-N 3.34Å
26D82.8Confident83.9Confident97 Ų9769.4 Ų69.452%0.51933%0.325SS..THydrogen-bonded Turntrans-92.117.9178.5-62.3-36.3000112.1D24 E28 F29 N30D24-D26 PolarHBondContact O-N 3Å; D24-D26 VanDerWaalsContact O-N 3.14Å; D24-D26 PolarHBondContact OD1-N 2.96Å; D26-E28 PolarHBondContact O-N 3.33Å; D26-F29 HydrophobicContact CB-CB 4.43Å; D26-F29 HydrophobicContact CB-CD1 4.46Å; D26-F29 WeakPolarHBondContact O-CB 3.34Å; D26-F29 PolarHBondContact O-N 2.83Å; D26-N30 PolarHBondContact O-N 2.97Å; D26-N30 PolarHBondContact O-ND2 3.28Å
27Y81.6Confident83.2Confident27 Ų2768.4 Ų68.411%0.10632%0.315CS..Hα-helixtrans-56.1-48-175175.2-95.9000113.8I8 V23 D24 P25 F29 N30 Q31I8-Y27 HydrophobicContact CD1-CD1 4.04Å; I8-Y27 HydrophobicContact CD1-CE1 3.95Å; V23-Y27 HydrophobicContact CB-CD1 4.45Å; V23-Y27 HydrophobicContact CB-CD2 3.86Å; V23-Y27 HydrophobicContact CB-CG 3.78Å; V23-Y27 HydrophobicContact CG1-CD1 4.38Å; V23-Y27 HydrophobicContact CG1-CD2 3.86Å; V23-Y27 HydrophobicContact CG1-CE2 4.06Å; V23-Y27 HydrophobicContact CG1-CG 4.01Å; V23-Y27 HydrophobicContact CG2-CD1 4.41Å; V23-Y27 HydrophobicContact CG2-CG 4.04Å; D24-Y27 WeakPolarHBondContact O-CB 3.19Å; D24-Y27 PolarHBondContact O-N 3.19Å; P25-Y27 VanDerWaalsContact C-N 3.31Å; P25-Y27 PolarHBondContact O-N 3.34Å; Y27-F29 VanDerWaalsContact C-N 3.29Å; Y27-F29 PolarHBondContact O-N 3.38Å; Y27-N30 PolarHBondContact O-N 3.25Å; Y27-Q31 WeakPolarHBondContact O-CB 3.47Å; Y27-Q31 PolarHBondContact O-N 3.02Å
28E81Confident82.3Confident150 Ų15068.6 Ų68.670%0.70132%0.317SS*.Hα-helixtrans-62.6-40.2178.3-66.4-176.1169.300111.4D26 Q31 E32D26-E28 PolarHBondContact O-N 3.33Å; E28-Q31 PolarHBondContact O-N 2.94Å; E28-E32 PolarHBondContact O-N 3.14Å
29F85Confident81.3Confident92 Ų9263.9 Ų63.940%0.40430%0.296SS..Hα-helixtrans-66.2-43177.3178.2-106.2000112.2D26 Y27 Q31 E32 I33 P103D26-F29 HydrophobicContact CB-CB 4.43Å; D26-F29 HydrophobicContact CB-CD1 4.46Å; D26-F29 WeakPolarHBondContact O-CB 3.34Å; D26-F29 PolarHBondContact O-N 2.83Å; Y27-F29 VanDerWaalsContact C-N 3.29Å; Y27-F29 PolarHBondContact O-N 3.38Å; F29-Q31 VanDerWaalsContact C-N 3.32Å; F29-Q31 PolarHBondContact O-N 3Å; F29-E32 PolarHBondContact O-N 2.72Å; F29-I33 HydrophobicContact CD1-CD1 3.83Å; F29-I33 HydrophobicContact CE1-CD1 3.44Å; F29-I33 VanDerWaalsContact CE1-CD1 3.44Å; F29-I33 HydrophobicContact CE2-CD1 4.39Å; F29-I33 HydrophobicContact CG-CD1 4.48Å; F29-I33 HydrophobicContact CZ-CD1 3.77Å; F29-I33 WeakPolarHBondContact O-CG1 3.48Å; F29-I33 PolarHBondContact O-N 3.44Å; F29-P103 HydrophobicContact CE2-CG 3.47Å; F29-P103 VanDerWaalsContact CE2-CG 3.47Å; F29-P103 HydrophobicContact CZ-CB 4.25Å; F29-P103 HydrophobicContact CZ-CG 3.41Å; F29-P103 VanDerWaalsContact CZ-CG 3.41Å
30N86.8Confident81Confident14 Ų1463.3 Ų63.38%0.07529%0.294CS..Hα-helixtrans-62.7-40.3172.9-71.7-60.5000111D26 Y27 E32 I33 A34 A600 K603D26-N30 PolarHBondContact O-N 2.97Å; D26-N30 PolarHBondContact O-ND2 3.28Å; Y27-N30 PolarHBondContact O-N 3.25Å; N30-E32 VanDerWaalsContact C-N 3.33Å; N30-E32 PolarHBondContact O-N 3.09Å; N30-I33 PolarHBondContact O-N 2.83Å; N30-A34 WeakPolarHBondContact O-CB 3.37Å; N30-A34 PolarHBondContact O-N 2.91Å; N30-A600 HydrophobicContact CB-CB 4.36Å; N30-A600 WeakPolarHBondContact O-CB 3.4Å; N30-K603 HydrophobicContact CB-CB 4.49Å
31Q85.7Confident81.1Confident45 Ų4555.5 Ų55.521%0.2127%0.266CS..Hα-helixtrans-63.9-39176.6-175.4174.885.100112Y27 E28 F29 A34 R35Y27-Q31 WeakPolarHBondContact O-CB 3.47Å; Y27-Q31 PolarHBondContact O-N 3.02Å; E28-Q31 PolarHBondContact O-N 2.94Å; F29-Q31 VanDerWaalsContact C-N 3.32Å; F29-Q31 PolarHBondContact O-N 3Å; Q31-A34 PolarHBondContact O-N 2.94Å; Q31-R35 WeakPolarHBondContact O-CB 3.25Å; Q31-R35 VanDerWaalsContact O-CG 3.27Å; Q31-R35 WeakPolarHBondContact O-CG 3.49Å; Q31-R35 PolarHBondContact O-N 2.71Å; Q31-R35 VanDerWaalsContact OE1-CZ 3.23Å
32E85.8Confident81.5Confident101 Ų10153.7 Ų53.747%0.47226%0.259SS..Hα-helixtrans-63.4-41.9174.2-168.4178.7-17800111.7E28 F29 N30 S36 F101E28-E32 PolarHBondContact O-N 3.14Å; F29-E32 PolarHBondContact O-N 2.72Å; N30-E32 VanDerWaalsContact C-N 3.33Å; N30-E32 PolarHBondContact O-N 3.09Å; E32-S36 WeakPolarHBondContact O-CB 3.43Å; E32-S36 PolarHBondContact O-N 2.98Å; E32-S36 PolarHBondContact O-OG 2.93Å; E32-F101 HydrophobicContact CB-CZ 4.39Å; E32-F101 VanDerWaalsContact CD-CE2 3.5Å; E32-F101 HydrophobicContact CG-CE2 3.87Å; E32-F101 HydrophobicContact CG-CZ 3.87Å; E32-F101 WeakPolarHBondContact OE1-CE2 3.35Å
33I86Confident81.8Confident6 Ų651.1 Ų51.13%0.03124%0.244CC..Hα-helixtrans-63.8-47.3174.5-67.3167.8000111.3F29 N30 R35 S36 G37 F101 P103 L596 A600F29-I33 HydrophobicContact CD1-CD1 3.83Å; F29-I33 HydrophobicContact CE1-CD1 3.44Å; F29-I33 VanDerWaalsContact CE1-CD1 3.44Å; F29-I33 HydrophobicContact CE2-CD1 4.39Å; F29-I33 HydrophobicContact CG-CD1 4.48Å; F29-I33 HydrophobicContact CZ-CD1 3.77Å; F29-I33 WeakPolarHBondContact O-CG1 3.48Å; F29-I33 PolarHBondContact O-N 3.44Å; N30-I33 PolarHBondContact O-N 2.83Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 2.88Å; I33-S36 CarbonylContact O-C 3.55Å; I33-S36 WeakPolarHBondContact O-CA 3.41Å; I33-S36 WeakPolarHBondContact O-CB 3.27Å; I33-S36 PolarHBondContact O-N 3.24Å; I33-S36 VanDerWaalsContact O-N 3.07Å; I33-G37 PolarHBondContact O-N 3.39Å; I33-F101 HydrophobicContact CG1-CE1 4.08Å; I33-F101 HydrophobicContact CG1-CZ 3.8Å; I33-P103 HydrophobicContact CD1-CB 4.09Å; I33-P103 HydrophobicContact CD1-CG 4.37Å; I33-P103 HydrophobicContact CG1-CB 4.08Å; I33-P103 HydrophobicContact CG1-CG 4.33Å; I33-L596 HydrophobicContact CD1-CD1 4.17Å; I33-L596 HydrophobicContact CG2-CD1 3.88Å; I33-L596 HydrophobicContact CG2-CD2 4.28Å; I33-L596 HydrophobicContact CG2-CG 3.68Å; I33-A600 HydrophobicContact CB-CB 3.79Å; I33-A600 HydrophobicContact CG2-CB 3.5Å
34A84.7Confident82.2Confident8 Ų851.3 Ų51.37%0.06625%0.245CC..Hα-helixtrans-59.7-43.1179.900000111.6N30 Q31 S36 G37 A600 S601N30-A34 WeakPolarHBondContact O-CB 3.37Å; N30-A34 PolarHBondContact O-N 2.91Å; Q31-A34 PolarHBondContact O-N 2.94Å; A34-S36 VanDerWaalsContact C-N 3.3Å; A34-S36 PolarHBondContact O-N 3.41Å; A34-G37 WeakPolarHBondContact O-CA 3.48Å; A34-G37 PolarHBondContact O-N 3.37Å; A34-A600 HydrophobicContact CB-CB 4.3Å; A34-S601 WeakPolarHBondContact CB-OG 3.39Å
35R81.9Confident82.8Confident169 Ų16953 Ų5364%0.63826%0.26SS*.Hα-helixtrans-68.8-28.3174.8-71.3174.5178.8162.34.1113.1Q31 I33 G37Q31-R35 WeakPolarHBondContact O-CB 3.25Å; Q31-R35 VanDerWaalsContact O-CG 3.27Å; Q31-R35 WeakPolarHBondContact O-CG 3.49Å; Q31-R35 PolarHBondContact O-N 2.71Å; Q31-R35 VanDerWaalsContact OE1-CZ 3.23Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 2.88Å; R35-G37 PolarHBondContact O-N 2.98Å
36S76.3Confident83.5Confident15 Ų1552.6 Ų52.611%0.10526%0.255CS..THydrogen-bonded Turntrans-77.49.8170.4-55.10000112.9E32 I33 A34 Y38E32-S36 WeakPolarHBondContact O-CB 3.43Å; E32-S36 PolarHBondContact O-N 2.98Å; E32-S36 PolarHBondContact O-OG 2.93Å; I33-S36 CarbonylContact O-C 3.55Å; I33-S36 WeakPolarHBondContact O-CA 3.41Å; I33-S36 WeakPolarHBondContact O-CB 3.27Å; I33-S36 PolarHBondContact O-N 3.24Å; I33-S36 VanDerWaalsContact O-N 3.07Å; A34-S36 VanDerWaalsContact C-N 3.3Å; A34-S36 PolarHBondContact O-N 3.41Å; S36-Y38 VanDerWaalsContact C-CD2 3.44Å; S36-Y38 VanDerWaalsContact C-N 3.3Å; S36-Y38 VanDerWaalsContact CA-CE2 3.48Å; S36-Y38 WeakPolarHBondContact O-CD2 3.16Å; S36-Y38 WeakPolarHBondContact O-CE2 3.22Å; S36-Y38 PolarHBondContact O-N 3.45Å
37G67.5Low84.1Confident5 Ų548.5 Ų48.55%0.05223%0.232CC..THydrogen-bonded Turntrans-71.7-19.4-176.300000114.5I33 A34 R35 G39 F593 V597I33-G37 PolarHBondContact O-N 3.39Å; A34-G37 WeakPolarHBondContact O-CA 3.48Å; A34-G37 PolarHBondContact O-N 3.37Å; R35-G37 PolarHBondContact O-N 2.98Å; G37-G39 WeakPolarHBondContact O-CA 3.41Å; G37-G39 PolarHBondContact O-N 2.82Å; G37-F593 WeakPolarHBondContact O-CE1 3.36Å; G37-F593 WeakPolarHBondContact O-CZ 3.02Å; G37-V597 VanDerWaalsContact CA-CG1 3.47Å
38Y67Low84.8Confident135 Ų13547.4 Ų47.453%0.52923%0.228SC..  trans26.242.8173.7-53.7-68.5000114.7S36 D40 M41S36-Y38 VanDerWaalsContact C-CD2 3.44Å; S36-Y38 VanDerWaalsContact C-N 3.3Å; S36-Y38 VanDerWaalsContact CA-CE2 3.48Å; S36-Y38 WeakPolarHBondContact O-CD2 3.16Å; S36-Y38 WeakPolarHBondContact O-CE2 3.22Å; S36-Y38 PolarHBondContact O-N 3.45Å; Y38-D40 PolarHBondContact O-N 3.02Å; Y38-M41 HydrophobicContact CD1-SD 4.01Å; Y38-M41 HydrophobicContact CG-SD 4.18Å; Y38-M41 VanDerWaalsContact O-CB 3.27Å; Y38-M41 WeakPolarHBondContact O-CB 3.36Å; Y38-M41 PolarHBondContact O-N 3.25Å
39G66.5Low85.6Confident10 Ų1044.1 Ų44.110%0.10321%0.212CC..Hα-helixtrans-74.4-35.5-158.300000111.4G37 M41 L42 H43G37-G39 WeakPolarHBondContact O-CA 3.41Å; G37-G39 PolarHBondContact O-N 2.82Å; G39-M41 VanDerWaalsContact C-N 3.27Å; G39-M41 PolarHBondContact O-N 3.39Å; G39-L42 PolarHBondContact O-N 3.28Å; G39-H43 PolarHBondContact O-CD2 3.41Å; G39-H43 PolarHBondContact O-N 3.1Å
40D81.8Confident86.2Confident26 Ų2640.3 Ų40.314%0.13920%0.196CC..Hα-helixtrans-63.5-32.7176.974.4-53.1000112.5Y38 H43 D44 H329 I577Y38-D40 PolarHBondContact O-N 3.02Å; D40-H43 CarbonylContact O-C 3.58Å; D40-H43 WeakPolarHBondContact O-CA 3.44Å; D40-H43 PolarHBondContact O-N 3.04Å; D40-H43 VanDerWaalsContact O-N 3.16Å; D40-D44 PolarHBondContact O-N 3.06Å; D40-H329 VanDerWaalsContact OD2-CB 3.31Å; D40-H329 WeakPolarHBondContact OD2-CB 3.48Å; D40-H329 IonicContact OD2-CE1 3.6Å; D40-H329 IonicContact OD2-CG 3.67Å; D40-H329 PolarHBondContact OD2-N 2.9Å; D40-H329 IonicContact OD2-ND1 3.55Å; D40-H329 PolarHBondContact OD2-ND1 3.41Å; D40-I577 HydrophobicContact CB-CG2 4.02Å
41M89.3Confident86.8Confident17 Ų1739.7 Ų39.78%0.08419%0.192CC..Hα-helixtrans-60.6-44.1173.9-70.2-171.596.800111.6Y38 G39 H43 D44 R47 N48 E147 H329 W330Y38-M41 HydrophobicContact CD1-SD 4.01Å; Y38-M41 HydrophobicContact CG-SD 4.18Å; Y38-M41 VanDerWaalsContact O-CB 3.27Å; Y38-M41 WeakPolarHBondContact O-CB 3.36Å; Y38-M41 PolarHBondContact O-N 3.25Å; G39-M41 VanDerWaalsContact C-N 3.27Å; G39-M41 PolarHBondContact O-N 3.39Å; M41-H43 VanDerWaalsContact C-N 3.27Å; M41-H43 PolarHBondContact O-N 3.32Å; M41-D44 WeakPolarHBondContact O-CB 3.34Å; M41-D44 PolarHBondContact O-N 3.25Å; M41-D44 VanDerWaalsContact O-N 3.15Å; M41-R47 VanDerWaalsContact CA-NH1 3.27Å; M41-R47 VanDerWaalsContact CE-NH1 3.32Å; M41-R47 VanDerWaalsContact CG-NH1 3.34Å; M41-R47 PolarHBondContact O-NH1 3.11Å; M41-R47 PolarHBondContact O-NH2 2.89Å; M41-N48 PolarHBondContact O-ND2 3.3Å; M41-E147 WeakPolarHBondContact CE-OE2 3.41Å; M41-H329 HydrophobicContact CG-CB 3.7Å; M41-H329 VanDerWaalsContact CG-CG 3.43Å; M41-H329 HydrophobicContact SD-CB 4.28Å; M41-W330 HydrophobicContact CE-CZ2 4.08Å
42L91.2Very high87.4Confident14 Ų1439.8 Ų39.87%0.07319%0.191CC..Hα-helixtrans-71.5-23.9177-65.8173.6000112.5G39 D44 N48 T80 L82 V581 C585 L590 F593G39-L42 PolarHBondContact O-N 3.28Å; L42-D44 VanDerWaalsContact C-N 3.34Å; L42-N48 PolarHBondContact O-ND2 2.95Å; L42-N48 VanDerWaalsContact O-ND2 3.08Å; L42-T80 HydrophobicContact CD1-CG2 4.11Å; L42-L82 HydrophobicContact CD2-CD2 3.87Å; L42-V581 HydrophobicContact CB-CG1 4.16Å; L42-V581 HydrophobicContact CB-CG2 3.67Å; L42-V581 HydrophobicContact CD1-CG2 3.86Å; L42-V581 HydrophobicContact CG-CG2 4.44Å; L42-C585 PolarHBondContact O-SG 2.81Å; L42-L590 HydrophobicContact CD1-CD1 4.44Å; L42-L590 HydrophobicContact CD2-CD1 4.33Å; L42-F593 HydrophobicContact CD1-CD1 3.78Å; L42-F593 HydrophobicContact CD1-CE1 3.34Å; L42-F593 HydrophobicContact CD1-CE2 4.36Å; L42-F593 HydrophobicContact CD1-CG 4.43Å; L42-F593 HydrophobicContact CD1-CZ 3.6Å
43H90.4Very high88Confident28 Ų2837.7 Ų37.713%0.1318%0.182CC..THydrogen-bonded Turntrans-83.1-4.2170.8-72-63.9000114.2G39 D40 M41 S45 R576 S579 P580G39-H43 PolarHBondContact O-CD2 3.41Å; G39-H43 PolarHBondContact O-N 3.1Å; D40-H43 CarbonylContact O-C 3.58Å; D40-H43 WeakPolarHBondContact O-CA 3.44Å; D40-H43 PolarHBondContact O-N 3.04Å; D40-H43 VanDerWaalsContact O-N 3.16Å; M41-H43 VanDerWaalsContact C-N 3.27Å; M41-H43 PolarHBondContact O-N 3.32Å; H43-S45 VanDerWaalsContact C-N 3.3Å; H43-S45 PolarHBondContact O-N 3.35Å; H43-R576 HydrophobicContact CB-CB 4.23Å; H43-R576 HydrophobicContact CB-CG 4.49Å; H43-R576 PolarHBondContact CD2-O 3.27Å; H43-S579 PolarHBondContact NE2-O 2.96Å; H43-P580 PolarHBondContact CE1-O 3.3Å; H43-P580 VanDerWaalsContact CE1-O 3.23Å; H43-P580 PolarHBondContact NE2-O 3.45Å
44D93.4Very high88.6Confident13 Ų1337.4 Ų37.47%0.0718%0.181CC..  trans-78.880.9171.6-174.1-8.7000110.8D40 M41 L42 D46 R47 N48 R327 H329D40-D44 PolarHBondContact O-N 3.06Å; M41-D44 WeakPolarHBondContact O-CB 3.34Å; M41-D44 PolarHBondContact O-N 3.25Å; M41-D44 VanDerWaalsContact O-N 3.15Å; L42-D44 VanDerWaalsContact C-N 3.34Å; D44-D46 VanDerWaalsContact C-N 3.26Å; D44-D46 PolarHBondContact O-N 3.24Å; D44-D46 PolarHBondContact OD1-N 2.93Å; D44-R47 HydrophobicContact CB-CB 4.08Å; D44-R47 PolarHBondContact O-N 2.94Å; D44-R47 WeakPolarHBondContact OD1-CB 3.36Å; D44-R47 PolarHBondContact OD1-N 3.24Å; D44-R47 WeakPolarHBondContact OD2-CB 3.43Å; D44-N48 WeakPolarHBondContact O-CB 3.25Å; D44-N48 PolarHBondContact O-N 3.5Å; D44-N48 PolarHBondContact O-ND2 3.48Å; D44-R327 IonicContact OD1-NE 3.32Å; D44-R327 IonicContact OD1-NH2 3.73Å; D44-R327 PolarHBondContact OD1-NH2 2.85Å; D44-R327 WeakPolarHBondContact OD2-CD 3.22Å; D44-R327 IonicContact OD2-CZ 3.97Å; D44-R327 IonicContact OD2-NE 2.71Å; D44-R327 PolarHBondContact OD2-NE 3Å; D44-R327 IonicContact OD2-NH2 2.68Å; D44-R327 PolarHBondContact OD2-NH2 2.87Å; D44-H329 IonicContact OD2-CE1 3.9Å; D44-H329 PolarHBondContact OD2-CE1 2.76Å; D44-H329 IonicContact OD2-NE2 2.98Å
45S93.3Very high89.2Confident84 Ų8437 Ų3759%0.58718%0.178SC*.Hα-helixtrans-61.6-31.9179.559.10000113.1H43 H49H43-S45 VanDerWaalsContact C-N 3.3Å; H43-S45 PolarHBondContact O-N 3.35Å; S45-H49 WeakPolarHBondContact O-CB 3.45Å; S45-H49 PolarHBondContact O-N 2.95Å
46D95.5Very high90Very high48 Ų4831.3 Ų31.326%0.25716%0.159SC..Hα-helixtrans-65.6-48.6178.5175.470.6000110.6D44 K50 A325 R327D44-D46 VanDerWaalsContact C-N 3.26Å; D44-D46 PolarHBondContact O-N 3.24Å; D44-D46 PolarHBondContact OD1-N 2.93Å; D46-K50 VanDerWaalsContact CG-NZ 3.3Å; D46-K50 WeakPolarHBondContact O-CB 3.39Å; D46-K50 WeakPolarHBondContact O-CG 3.41Å; D46-K50 PolarHBondContact O-N 2.91Å; D46-K50 WeakPolarHBondContact OD1-CE 3.33Å; D46-K50 IonicContact OD1-NZ 2.88Å; D46-K50 PolarHBondContact OD1-NZ 3.36Å; D46-K50 WeakPolarHBondContact OD2-CE 3.45Å; D46-K50 IonicContact OD2-NZ 2.6Å; D46-K50 PolarHBondContact OD2-NZ 3.5Å; D46-A325 HydrophobicContact CB-CB 4.06Å; D46-R327 IonicContact OD2-CZ 2.85Å; D46-R327 IonicContact OD2-NH2 3.39Å; D46-R327 PolarHBondContact OD2-NH2 3.42Å
47R96.4Very high91.1Very high12 Ų1233.2 Ų33.25%0.04517%0.165CC..Hα-helixtrans-62.5-53.5177.8-178.5-163.178.1-175.119.2111.4M41 D44 H49 K50 Y51 I312 H329 W330M41-R47 VanDerWaalsContact CA-NH1 3.27Å; M41-R47 VanDerWaalsContact CE-NH1 3.32Å; M41-R47 VanDerWaalsContact CG-NH1 3.34Å; M41-R47 PolarHBondContact O-NH1 3.11Å; M41-R47 PolarHBondContact O-NH2 2.89Å; D44-R47 HydrophobicContact CB-CB 4.08Å; D44-R47 PolarHBondContact O-N 2.94Å; D44-R47 WeakPolarHBondContact OD1-CB 3.36Å; D44-R47 PolarHBondContact OD1-N 3.24Å; D44-R47 WeakPolarHBondContact OD2-CB 3.43Å; R47-H49 VanDerWaalsContact C-N 3.26Å; R47-H49 PolarHBondContact O-N 2.93Å; R47-K50 PolarHBondContact O-N 3.05Å; R47-K50 VanDerWaalsContact O-N 3.13Å; R47-Y51 HydrophobicContact CG-CD2 3.89Å; R47-Y51 HydrophobicContact CG-CE2 3.93Å; R47-Y51 WeakPolarHBondContact O-CD2 3.4Å; R47-Y51 PolarHBondContact O-N 3.13Å; R47-I312 HydrophobicContact CB-CD1 4.33Å; R47-I312 HydrophobicContact CG-CD1 3.71Å; R47-H329 PolarHBondContact NH1-NE2 2.9Å; R47-W330 VanDerWaalsContact CD-CH2 3.48Å; R47-W330 HydrophobicContact CG-CH2 4.17Å; R47-W330 HydrophobicContact CG-CZ3 3.97Å
48N96.4Very high92.5Very high3 Ų333 Ų332%0.01616%0.163CC..Hα-helixtrans-61.3-38.6-175.9-63.1-29000111M41 L42 D44 Y51 R52 M86 C585 E586M41-N48 PolarHBondContact O-ND2 3.3Å; L42-N48 PolarHBondContact O-ND2 2.95Å; L42-N48 VanDerWaalsContact O-ND2 3.08Å; D44-N48 WeakPolarHBondContact O-CB 3.25Å; D44-N48 PolarHBondContact O-N 3.5Å; D44-N48 PolarHBondContact O-ND2 3.48Å; N48-Y51 PolarHBondContact O-N 2.86Å; N48-R52 PolarHBondContact O-N 3.09Å; N48-M86 HydrophobicContact CB-CE 4.4Å; N48-C585 PolarHBondContact ND2-SG 2.8Å; N48-C585 VanDerWaalsContact ND2-SG 3.44Å; N48-E586 HydrophobicContact CB-CG 4.31Å
49H97.1Very high94Very high81 Ų8126.6 Ų26.638%0.37514%0.138SC..Hα-helixtrans-64.2-44.7174.8-170.886.1000112.8S45 R47 R52 L53 E586S45-H49 WeakPolarHBondContact O-CB 3.45Å; S45-H49 PolarHBondContact O-N 2.95Å; R47-H49 VanDerWaalsContact C-N 3.26Å; R47-H49 PolarHBondContact O-N 2.93Å; H49-R52 PolarHBondContact CE1-NH2 3.26Å; H49-R52 PolarHBondContact ND1-NH2 2.94Å; H49-R52 PolarHBondContact O-N 3.19Å; H49-L53 WeakPolarHBondContact O-CG 3.4Å; H49-L53 PolarHBondContact O-N 3.34Å; H49-E586 WeakPolarHBondContact CA-OE1 3.43Å; H49-E586 PolarHBondContact N-OE1 2.96Å; H49-E586 IonicContact ND1-OE1 3.77Å
50K98Very high95.5Very high12 Ų1231 Ų315%0.05215%0.154CC..Hα-helixtrans-64.9-39.3177.7-75.9171-179.31660112.2D46 R47 L53 A54 M303 V309 P311 I312 N323D46-K50 VanDerWaalsContact CG-NZ 3.3Å; D46-K50 WeakPolarHBondContact O-CB 3.39Å; D46-K50 WeakPolarHBondContact O-CG 3.41Å; D46-K50 PolarHBondContact O-N 2.91Å; D46-K50 WeakPolarHBondContact OD1-CE 3.33Å; D46-K50 IonicContact OD1-NZ 2.88Å; D46-K50 PolarHBondContact OD1-NZ 3.36Å; D46-K50 WeakPolarHBondContact OD2-CE 3.45Å; D46-K50 IonicContact OD2-NZ 2.6Å; D46-K50 PolarHBondContact OD2-NZ 3.5Å; R47-K50 PolarHBondContact O-N 3.05Å; R47-K50 VanDerWaalsContact O-N 3.13Å; K50-L53 PolarHBondContact O-N 3.03Å; K50-A54 WeakPolarHBondContact O-CB 3.48Å; K50-A54 PolarHBondContact O-N 2.9Å; K50-M303 HydrophobicContact CB-CG 4.5Å; K50-V309 HydrophobicContact CB-CG1 4.29Å; K50-V309 HydrophobicContact CG-CG1 4.38Å; K50-P311 WeakPolarHBondContact CE-O 3.49Å; K50-P311 PolarHBondContact NZ-O 2.93Å; K50-I312 HydrophobicContact CB-CD1 4.43Å; K50-I312 HydrophobicContact CB-CG1 4.02Å; K50-I312 HydrophobicContact CD-CB 4.48Å; K50-I312 HydrophobicContact CD-CG1 3.6Å; K50-I312 HydrophobicContact CG-CG1 4.46Å; K50-N323 PolarHBondContact NZ-O 2.71Å; K50-N323 VanDerWaalsContact NZ-O 3.13Å
51Y98.4Very high96.2Very high1 Ų132 Ų320%0.00416%0.156CC..Hα-helixtrans-59-50.3170.8-93.2-85.8000111.4R47 N48 L53 A54 I55 L83 A146 E147 I177 P178 M303 I312R47-Y51 HydrophobicContact CG-CD2 3.89Å; R47-Y51 HydrophobicContact CG-CE2 3.93Å; R47-Y51 WeakPolarHBondContact O-CD2 3.4Å; R47-Y51 PolarHBondContact O-N 3.13Å; N48-Y51 PolarHBondContact O-N 2.86Å; Y51-L53 PolarHBondContact O-N 2.85Å; Y51-A54 PolarHBondContact O-N 3.35Å; Y51-I55 WeakPolarHBondContact O-CB 3.16Å; Y51-I55 VanDerWaalsContact O-CG1 3.23Å; Y51-I55 WeakPolarHBondContact O-CG1 3.4Å; Y51-I55 PolarHBondContact O-N 3.36Å; Y51-L83 HydrophobicContact CD1-CD1 3.89Å; Y51-L83 HydrophobicContact CD1-CD2 3.7Å; Y51-L83 HydrophobicContact CD1-CG 4.48Å; Y51-L83 HydrophobicContact CE1-CD1 3.88Å; Y51-L83 HydrophobicContact CE1-CD2 4.47Å; Y51-L83 HydrophobicContact CG-CD2 3.85Å; Y51-A146 PolarHBondContact OH-O 2.84Å; Y51-E147 HydrophobicContact CE2-CG 4.11Å; Y51-I177 HydrophobicContact CD1-CG2 4.08Å; Y51-I177 HydrophobicContact CE1-CG2 4.32Å; Y51-P178 WeakPolarHBondContact OH-CD 3.48Å; Y51-M303 HydrophobicContact CD1-CE 3.89Å; Y51-M303 HydrophobicContact CD2-CE 3.71Å; Y51-M303 HydrophobicContact CE1-CE 4.03Å; Y51-M303 HydrophobicContact CE2-CE 3.85Å; Y51-M303 HydrophobicContact CG-CE 3.74Å; Y51-I312 HydrophobicContact CD2-CD1 3.95Å; Y51-I312 HydrophobicContact CE2-CD1 3.75Å
52R98.2Very high96.6Very high48 Ų4832 Ų3218%0.18116%0.157CC..Hα-helixtrans-57-49.2178.3-174.2-176.154.46811.9111.8N48 H49 A54 I55 E56 M86 E586N48-R52 PolarHBondContact O-N 3.09Å; H49-R52 PolarHBondContact CE1-NH2 3.26Å; H49-R52 PolarHBondContact ND1-NH2 2.94Å; H49-R52 PolarHBondContact O-N 3.19Å; R52-A54 VanDerWaalsContact C-N 3.31Å; R52-A54 PolarHBondContact O-N 3.14Å; R52-I55 PolarHBondContact O-N 3.16Å; R52-E56 HydrophobicContact CG-CG 4.48Å; R52-E56 IonicContact CZ-OE1 3.36Å; R52-E56 IonicContact NH1-OE1 3.43Å; R52-E56 PolarHBondContact NH1-OE1 2.83Å; R52-E56 IonicContact NH1-OE2 2.85Å; R52-E56 WeakPolarHBondContact O-CB 3.46Å; R52-E56 WeakPolarHBondContact O-CG 3.36Å; R52-E56 PolarHBondContact O-N 3.47Å; R52-M86 HydrophobicContact CB-CE 4.33Å; R52-M86 HydrophobicContact CB-CG 4.3Å; R52-M86 HydrophobicContact CB-SD 3.69Å; R52-M86 HydrophobicContact CG-CG 4.29Å; R52-M86 HydrophobicContact CG-SD 4.33Å; R52-E586 WeakPolarHBondContact CD-OE2 3.43Å; R52-E586 IonicContact CZ-OE2 2.71Å; R52-E586 IonicContact NE-OE2 2.64Å; R52-E586 PolarHBondContact NE-OE2 3.18Å; R52-E586 IonicContact NH2-OE2 3.88Å
53L98.3Very high96.9Very high56 Ų5634.4 Ų34.429%0.29317%0.166SC..Hα-helixtrans-59.8-41179.5-70.9-179.5000112.2H49 K50 Y51 H57 V309H49-L53 WeakPolarHBondContact O-CG 3.4Å; H49-L53 PolarHBondContact O-N 3.34Å; K50-L53 PolarHBondContact O-N 3.03Å; Y51-L53 PolarHBondContact O-N 2.85Å; L53-H57 VanDerWaalsContact O-CB 3.26Å; L53-H57 WeakPolarHBondContact O-CB 3.35Å; L53-H57 PolarHBondContact O-N 2.84Å; L53-V309 HydrophobicContact CB-CG1 3.99Å; L53-V309 HydrophobicContact CB-CG2 3.82Å
54A98.6Very high97.1Very high0 Ų040.6 Ų40.60%020%0.195CC..Hα-helixtrans-69.9-39.2-179.300000112.2K50 Y51 R52 T58 I177 M303 E304 V309K50-A54 WeakPolarHBondContact O-CB 3.48Å; K50-A54 PolarHBondContact O-N 2.9Å; Y51-A54 PolarHBondContact O-N 3.35Å; R52-A54 VanDerWaalsContact C-N 3.31Å; R52-A54 PolarHBondContact O-N 3.14Å; A54-T58 VanDerWaalsContact O-CB 3.25Å; A54-T58 WeakPolarHBondContact O-CB 3.46Å; A54-T58 PolarHBondContact O-N 3.33Å; A54-T58 PolarHBondContact O-OG1 3.49Å; A54-I177 HydrophobicContact CB-CG2 3.79Å; A54-M303 HydrophobicContact CB-CB 3.61Å; A54-E304 HydrophobicContact CB-CG 4.28Å; A54-V309 HydrophobicContact CB-CB 4.47Å; A54-V309 HydrophobicContact CB-CG2 4.2Å
55I98.6Very high97.2Very high1 Ų145 Ų451%0.00522%0.216CC..Hα-helixtrans-61.6-51.3173.5-70.7169.8000110.1Y51 R52 H57 T58 I59 L83 M86 A87 A90 V145 I177Y51-I55 WeakPolarHBondContact O-CB 3.16Å; Y51-I55 VanDerWaalsContact O-CG1 3.23Å; Y51-I55 WeakPolarHBondContact O-CG1 3.4Å; Y51-I55 PolarHBondContact O-N 3.36Å; R52-I55 PolarHBondContact O-N 3.16Å; I55-H57 PolarHBondContact O-N 3.12Å; I55-T58 PolarHBondContact O-N 2.94Å; I55-I59 HydrophobicContact CG2-CD1 3.69Å; I55-I59 WeakPolarHBondContact O-CB 3.46Å; I55-I59 WeakPolarHBondContact O-CG1 3.47Å; I55-I59 PolarHBondContact O-N 3.41Å; I55-L83 HydrophobicContact CD1-CB 4.36Å; I55-L83 HydrophobicContact CD1-CD2 4.24Å; I55-M86 HydrophobicContact CD1-CB 3.96Å; I55-M86 HydrophobicContact CD1-SD 4.17Å; I55-M86 HydrophobicContact CG2-CB 4.46Å; I55-A87 VanDerWaalsContact CG2-CA 3.49Å; I55-A87 HydrophobicContact CG2-CB 4Å; I55-A90 HydrophobicContact CG2-CB 4Å; I55-V145 HydrophobicContact CD1-CG1 3.98Å; I55-V145 HydrophobicContact CG1-CG1 3.81Å; I55-I177 HydrophobicContact CB-CD1 4.3Å; I55-I177 HydrophobicContact CG1-CD1 3.77Å; I55-I177 HydrophobicContact CG1-CG2 4.43Å
56E98.2Very high97.4Very high49 Ų4946.5 Ų46.523%0.22921%0.209CC..Hα-helixtrans-58.7-47.6177.2-77.6-174.7-151.400112.4R52 K60 A90R52-E56 HydrophobicContact CG-CG 4.48Å; R52-E56 IonicContact CZ-OE1 3.36Å; R52-E56 IonicContact NH1-OE1 3.43Å; R52-E56 PolarHBondContact NH1-OE1 2.83Å; R52-E56 IonicContact NH1-OE2 2.85Å; R52-E56 WeakPolarHBondContact O-CB 3.46Å; R52-E56 WeakPolarHBondContact O-CG 3.36Å; R52-E56 PolarHBondContact O-N 3.47Å; E56-K60 VanDerWaalsContact O-CB 3.22Å; E56-K60 WeakPolarHBondContact O-CB 3.18Å; E56-K60 WeakPolarHBondContact O-CD 3.32Å; E56-K60 WeakPolarHBondContact O-CG 3.21Å; E56-K60 PolarHBondContact O-N 3.35Å; E56-K60 IonicContact OE2-NZ 2.91Å; E56-K60 PolarHBondContact OE2-NZ 2.87Å; E56-A90 HydrophobicContact CB-CB 4.42Å; E56-A90 HydrophobicContact CG-CB 3.92Å
57H98.2Very high97.2Very high54 Ų5448.4 Ų48.425%0.2522%0.224CC..Hα-helixtrans-61.1-48-179.7-177.781000111.2L53 I55 R61 E304 T306 T308L53-H57 VanDerWaalsContact O-CB 3.26Å; L53-H57 WeakPolarHBondContact O-CB 3.35Å; L53-H57 PolarHBondContact O-N 2.84Å; I55-H57 PolarHBondContact O-N 3.12Å; H57-R61 VanDerWaalsContact O-CB 3.26Å; H57-R61 WeakPolarHBondContact O-CB 3.33Å; H57-R61 PolarHBondContact O-N 3.39Å; H57-E304 IonicContact CD2-OE2 3.96Å; H57-E304 IonicContact NE2-OE2 2.73Å; H57-T306 PolarHBondContact NE2-OG1 3.03Å; H57-T306 VanDerWaalsContact NE2-OG1 3.15Å; H57-T308 PolarHBondContact CE1-OG1 2.94Å
58T98.3Very high97.1Very high0 Ų056 Ų560%026%0.26CS..Hα-helixtrans-64-47.7-178.4-62.90000111.8A54 I55 R61 L62 V143 I177A54-T58 VanDerWaalsContact O-CB 3.25Å; A54-T58 WeakPolarHBondContact O-CB 3.46Å; A54-T58 PolarHBondContact O-N 3.33Å; A54-T58 PolarHBondContact O-OG1 3.49Å; I55-T58 PolarHBondContact O-N 2.94Å; T58-R61 PolarHBondContact O-N 2.73Å; T58-L62 HydrophobicContact CG2-CD1 4.11Å; T58-L62 WeakPolarHBondContact O-CG 3.49Å; T58-L62 PolarHBondContact O-N 3.46Å; T58-V143 HydrophobicContact CG2-CG2 4.39Å; T58-I177 HydrophobicContact CG2-CD1 4.23Å
59I98.3Very high97.1Very high1 Ų159.7 Ų59.71%0.00528%0.28CS..Hα-helixtrans-67.2-44.9-178.3-66.7173.9000110.8I55 R61 L62 K63 V71 V73 A87 A90 A92I55-I59 HydrophobicContact CG2-CD1 3.69Å; I55-I59 WeakPolarHBondContact O-CB 3.46Å; I55-I59 WeakPolarHBondContact O-CG1 3.47Å; I55-I59 PolarHBondContact O-N 3.41Å; I59-R61 VanDerWaalsContact C-N 3.31Å; I59-R61 PolarHBondContact O-N 2.86Å; I59-L62 PolarHBondContact O-N 2.8Å; I59-K63 HydrophobicContact CG2-CG 4.35Å; I59-K63 WeakPolarHBondContact O-CB 3.26Å; I59-K63 WeakPolarHBondContact O-CG 3.38Å; I59-K63 PolarHBondContact O-N 3.37Å; I59-V71 HydrophobicContact CG1-CG1 4.1Å; I59-V71 HydrophobicContact CG2-CG1 4.35Å; I59-V73 HydrophobicContact CD1-CG2 4.29Å; I59-A87 HydrophobicContact CD1-CB 4.06Å; I59-A87 WeakPolarHBondContact CD1-O 3.13Å; I59-A90 HydrophobicContact CB-CB 4.19Å; I59-A90 HydrophobicContact CD1-CB 3.71Å; I59-A90 HydrophobicContact CG1-CB 4.48Å; I59-A90 HydrophobicContact CG2-CB 4.4Å; I59-A90 VanDerWaalsContact CG2-O 3.27Å; I59-A90 WeakPolarHBondContact CG2-O 3.49Å; I59-A92 HydrophobicContact CD1-CB 4.07Å
60K97.4Very high97.1Very high103 Ų10359.9 Ų59.945%0.44829%0.288SS..Hα-helixtrans-58-44.6175.6-73.7167.7-176.7163.10111.1E56 K63 Q64E56-K60 VanDerWaalsContact O-CB 3.22Å; E56-K60 WeakPolarHBondContact O-CB 3.18Å; E56-K60 WeakPolarHBondContact O-CD 3.32Å; E56-K60 WeakPolarHBondContact O-CG 3.21Å; E56-K60 PolarHBondContact O-N 3.35Å; E56-K60 IonicContact OE2-NZ 2.91Å; E56-K60 PolarHBondContact OE2-NZ 2.87Å; K60-K63 PolarHBondContact O-N 3.12Å; K60-Q64 WeakPolarHBondContact O-CB 3.36Å; K60-Q64 VanDerWaalsContact O-CG 3.25Å; K60-Q64 WeakPolarHBondContact O-CG 3.48Å; K60-Q64 PolarHBondContact O-N 2.72Å
61R96.9Very high97.1Very high47 Ų4759.4 Ų59.418%0.17729%0.286CS..Hα-helixtrans-60.9-47.6176.8179.9177.359.772.9-0.9111.8H57 T58 I59 Q64 Q65 S175H57-R61 VanDerWaalsContact O-CB 3.26Å; H57-R61 WeakPolarHBondContact O-CB 3.33Å; H57-R61 PolarHBondContact O-N 3.39Å; T58-R61 PolarHBondContact O-N 2.73Å; I59-R61 VanDerWaalsContact C-N 3.31Å; I59-R61 PolarHBondContact O-N 2.86Å; R61-Q64 PolarHBondContact O-N 3Å; R61-Q65 HydrophobicContact CG-CG 4.33Å; R61-Q65 VanDerWaalsContact NH1-OE1 3.17Å; R61-Q65 WeakPolarHBondContact O-CB 3.47Å; R61-Q65 WeakPolarHBondContact O-CG 3.47Å; R61-Q65 PolarHBondContact O-N 2.72Å; R61-S175 PolarHBondContact NH2-OG 3.15Å; R61-S175 VanDerWaalsContact NH2-OG 3.11Å
62L97.2Very high97Very high18 Ų1859.7 Ų59.79%0.09429%0.288CS..Hα-helixtrans-63.3-42.2179.3-72174000112.1T58 I59 Q64 Q65 Y66 V71 V143T58-L62 HydrophobicContact CG2-CD1 4.11Å; T58-L62 WeakPolarHBondContact O-CG 3.49Å; T58-L62 PolarHBondContact O-N 3.46Å; I59-L62 PolarHBondContact O-N 2.8Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-Q64 PolarHBondContact O-N 3.33Å; L62-Q65 PolarHBondContact O-N 3.22Å; L62-Y66 HydrophobicContact CD2-CD2 4.27Å; L62-Y66 HydrophobicContact CD2-CE2 4.45Å; L62-Y66 WeakPolarHBondContact O-CA 3.26Å; L62-Y66 PolarHBondContact O-N 3.32Å; L62-V71 HydrophobicContact CB-CG2 4.13Å; L62-V143 HydrophobicContact CD1-CG2 3.32Å
63K97Very high97.1Very high63 Ų6357.4 Ų57.427%0.27428%0.279SS..Hα-helixtrans-63.3-34.2175.2-72.5-68.2-165.1175.10113I59 K60 P67 V71 G91 D93I59-K63 HydrophobicContact CG2-CG 4.35Å; I59-K63 WeakPolarHBondContact O-CB 3.26Å; I59-K63 WeakPolarHBondContact O-CG 3.38Å; I59-K63 PolarHBondContact O-N 3.37Å; K60-K63 PolarHBondContact O-N 3.12Å; K63-P67 WeakPolarHBondContact O-CA 3.49Å; K63-P67 WeakPolarHBondContact O-CB 3.39Å; K63-V71 HydrophobicContact CD-CG2 3.96Å; K63-V71 HydrophobicContact CG-CG2 4.12Å; K63-G91 WeakPolarHBondContact CE-O 3.36Å; K63-D93 WeakPolarHBondContact CE-OD2 3.25Å; K63-D93 IonicContact NZ-OD1 2.7Å; K63-D93 PolarHBondContact NZ-OD1 2.74Å; K63-D93 IonicContact NZ-OD2 2.61Å; K63-D93 PolarHBondContact NZ-OD2 2.92Å
64Q96.4Very high97.1Very high158 Ų15854.8 Ų54.874%0.73827%0.265SS*.Hα-helixtrans-75.3-42.1176.4-73.11710.500112.3K60 R61 L62K60-Q64 WeakPolarHBondContact O-CB 3.36Å; K60-Q64 VanDerWaalsContact O-CG 3.25Å; K60-Q64 WeakPolarHBondContact O-CG 3.48Å; K60-Q64 PolarHBondContact O-N 2.72Å; R61-Q64 PolarHBondContact O-N 3Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-Q64 PolarHBondContact O-N 3.33Å
65Q95.6Very high97.1Very high106 Ų10654.8 Ų54.850%0.49527%0.265SS..Hα-helixtrans-74.4-38.3-178.4-71.9-179.9-26.900112.2R61 L62R61-Q65 HydrophobicContact CG-CG 4.33Å; R61-Q65 VanDerWaalsContact NH1-OE1 3.17Å; R61-Q65 WeakPolarHBondContact O-CB 3.47Å; R61-Q65 WeakPolarHBondContact O-CG 3.47Å; R61-Q65 PolarHBondContact O-N 2.72Å; L62-Q65 PolarHBondContact O-N 3.22Å
66Y95.7Very high97.1Very high116 Ų11655 Ų5546%0.45527%0.267SS..  trans-133.667.8-174.4-50.7-74000110.8L62 Q68 N69L62-Y66 HydrophobicContact CD2-CD2 4.27Å; L62-Y66 HydrophobicContact CD2-CE2 4.45Å; L62-Y66 WeakPolarHBondContact O-CA 3.26Å; L62-Y66 PolarHBondContact O-N 3.32Å; Y66-Q68 PolarHBondContact O-N 3.05Å; Y66-N69 PolarHBondContact O-N 3.41Å
67P92.5Very high97Very high87 Ų8754.2 Ų54.257%0.56527%0.271SS*.THydrogen-bonded Turntrans-62.9-20.7-171.924-34.7000114.7K63K63-P67 WeakPolarHBondContact O-CA 3.49Å; K63-P67 WeakPolarHBondContact O-CB 3.39Å
68Q94.6Very high96.9Very high171 Ų17152 Ų5280%0.79926%0.261SS*.THydrogen-bonded Turntrans-92.5-7.7177.5-58.4-56.5-43.900113.1Y66Y66-Q68 PolarHBondContact O-N 3.05Å
69N95.2Very high96.7Very high82 Ų8252.9 Ų52.944%0.43927%0.27SS..SBendtrans-93.2125-178.6-68.519.4000109.2Y66Y66-N69 PolarHBondContact O-N 3.41Å
70P96.6Very high96.5Very high85 Ų8553.3 Ų53.355%0.55227%0.273SS*.  trans-64.7138.4172.826.8-32.7000110.3H72 D93 N142P70-H72 PolarHBondContact O-N 2.94Å; P70-D93 WeakPolarHBondContact CA-OD2 3.32Å; P70-D93 HydrophobicContact CB-CB 4.25Å; P70-N142 PolarHBondContact O-ND2 3.24Å
71V98.1Very high96.5Very high2 Ų248.4 Ų48.41%0.01225%0.252CS..  trans-90.2101.7172.7-179.30000107.3I59 L62 K63 V73 D93 L94 V143I59-V71 HydrophobicContact CG1-CG1 4.1Å; I59-V71 HydrophobicContact CG2-CG1 4.35Å; L62-V71 HydrophobicContact CB-CG2 4.13Å; K63-V71 HydrophobicContact CD-CG2 3.96Å; K63-V71 HydrophobicContact CG-CG2 4.12Å; V71-V73 HydrophobicContact CG1-CG2 4.12Å; V71-D93 PolarHBondContact N-OD2 3.22Å; V71-D93 PolarHBondContact O-N 3.46Å; V71-L94 PolarHBondContact O-N 2.85Å; V71-V143 HydrophobicContact CG1-CG2 3.93Å
72H98.2Very high96.5Very high7 Ų746.6 Ų46.63%0.03225%0.245CC..EExtended strand (participates in β ladder)trans-101.2112.8175.2177.3-155.8000108.7P70 L94 T96 C139 A141 N142 V143P70-H72 PolarHBondContact O-N 2.94Å; H72-L94 WeakPolarHBondContact CA-O 3.3Å; H72-T96 PolarHBondContact NE2-OG1 3.41Å; H72-C139 PolarHBondContact CE1-O 3.42Å; H72-C139 PolarHBondContact ND1-O 3.36Å; H72-A141 WeakPolarHBondContact O-CA 3.49Å; H72-A141 WeakPolarHBondContact O-CB 3.23Å; H72-N142 PolarHBondContact N-OD1 3.08Å; H72-N142 PolarHBondContact O-N 3.22Å; H72-N142 VanDerWaalsContact O-N 3.09Å; H72-N142 PolarHBondContact O-OD1 3.06Å; H72-N142 VanDerWaalsContact O-OD1 3.05Å; H72-V143 PolarHBondContact O-N 3.18Å
73V98.8Very high96.5Very high0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-95.6131.6-179.8-175.90000109.3I59 V71 A87 A92 L94 V95 T96 V143 V145I59-V73 HydrophobicContact CD1-CG2 4.29Å; V71-V73 HydrophobicContact CG1-CG2 4.12Å; V73-A87 HydrophobicContact CB-CB 4.43Å; V73-A87 HydrophobicContact CG1-CB 4.18Å; V73-A87 HydrophobicContact CG2-CB 4.12Å; V73-A92 HydrophobicContact CG2-CB 3.7Å; V73-L94 PolarHBondContact N-O 3.22Å; V73-V95 HydrophobicContact CB-CG1 4.27Å; V73-V95 HydrophobicContact CB-CG2 4.17Å; V73-V95 HydrophobicContact CG1-CG1 4.45Å; V73-V95 CarbonylContact O-C 3.57Å; V73-V95 WeakPolarHBondContact O-CA 3.28Å; V73-T96 PolarHBondContact O-N 2.93Å; V73-V143 CarbonylContact C-O 3.54Å; V73-V143 WeakPolarHBondContact CA-O 3.45Å; V73-V143 HydrophobicContact CB-CB 4.44Å; V73-V143 HydrophobicContact CG1-CB 4.45Å; V73-V143 HydrophobicContact CG1-CG1 4.17Å; V73-V143 HydrophobicContact CG2-CB 4Å; V73-V143 HydrophobicContact CG2-CG1 4.2Å; V73-V145 HydrophobicContact CG1-CG1 4.13Å; V73-V145 HydrophobicContact CG1-CG2 3.86Å
74L98.8Very high96.6Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-99128.1164.3178.761.5000108.7I76 T96 L131 M137 A141 V143 L144 V145 L169 L170L74-I76 HydrophobicContact CD1-CG1 4.46Å; L74-I76 HydrophobicContact CD2-CD1 3.98Å; L74-I76 HydrophobicContact CD2-CG1 4.02Å; L74-I76 HydrophobicContact CG-CD1 4.41Å; L74-I76 HydrophobicContact CG-CG1 3.91Å; L74-T96 CarbonylContact C-O 3.59Å; L74-T96 VanDerWaalsContact CA-O 3.3Å; L74-T96 WeakPolarHBondContact CA-O 3.46Å; L74-T96 HydrophobicContact CD1-CG2 4.32Å; L74-T96 VanDerWaalsContact CD1-O 3.32Å; L74-T96 WeakPolarHBondContact CD1-O 3.36Å; L74-L131 HydrophobicContact CD1-CD1 4.1Å; L74-M137 HydrophobicContact CB-CE 4.35Å; L74-M137 HydrophobicContact CD1-CE 4.07Å; L74-M137 HydrophobicContact CD1-SD 4.13Å; L74-M137 HydrophobicContact CD2-CE 4.16Å; L74-M137 HydrophobicContact CD2-SD 4.47Å; L74-M137 HydrophobicContact CG-CE 4.42Å; L74-A141 HydrophobicContact CB-CB 3.64Å; L74-V143 PolarHBondContact N-O 3.01Å; L74-L144 HydrophobicContact CB-CD1 4.27Å; L74-L144 HydrophobicContact CD2-CD1 4.21Å; L74-L144 HydrophobicContact CG-CD1 4.11Å; L74-L144 WeakPolarHBondContact O-CA 3.42Å; L74-L144 WeakPolarHBondContact O-CD1 3.43Å; L74-V145 PolarHBondContact O-N 2.95Å; L74-L169 HydrophobicContact CD2-CB 3.81Å; L74-L169 HydrophobicContact CD2-CD1 3.79Å; L74-L169 HydrophobicContact CD2-CG 4.47Å; L74-L170 HydrophobicContact CD2-CD2 4.17Å
75D98.8Very high96.7Very high1 Ų136 Ų361%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-113.8109.3175.1-176.39.5000109.2T78 S84 V95 T96 A97 C98 V145D75-T78 WeakPolarHBondContact OD2-CB 3.16Å; D75-T78 PolarHBondContact OD2-OG1 3.01Å; D75-S84 VanDerWaalsContact CB-OG 3.28Å; D75-S84 WeakPolarHBondContact CB-OG 3.23Å; D75-S84 WeakPolarHBondContact OD2-CB 3.24Å; D75-S84 PolarHBondContact OD2-N 2.95Å; D75-S84 PolarHBondContact OD2-OG 3.39Å; D75-V95 HydrophobicContact CB-CG1 4.41Å; D75-T96 PolarHBondContact N-O 3.09Å; D75-A97 HydrophobicContact CB-CB 4.11Å; D75-A97 CarbonylContact O-C 3.59Å; D75-A97 WeakPolarHBondContact O-CA 3.26Å; D75-C98 PolarHBondContact O-N 2.68Å; D75-V145 WeakPolarHBondContact CA-O 3.06Å; D75-V145 HydrophobicContact CB-CG2 3.66Å
76I98.5Very high96.8Very high6 Ų631.1 Ų31.13%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-100.2124.3-177.1-59.3177.4000110L74 L144 V145 A146 L148 T161 A165L74-I76 HydrophobicContact CD1-CG1 4.46Å; L74-I76 HydrophobicContact CD2-CD1 3.98Å; L74-I76 HydrophobicContact CD2-CG1 4.02Å; L74-I76 HydrophobicContact CG-CD1 4.41Å; L74-I76 HydrophobicContact CG-CG1 3.91Å; I76-L144 HydrophobicContact CB-CD1 4.4Å; I76-L144 HydrophobicContact CD1-CD1 3.58Å; I76-L144 HydrophobicContact CD1-CD2 4.45Å; I76-L144 HydrophobicContact CG1-CD1 3.67Å; I76-V145 PolarHBondContact N-O 3.15Å; I76-A146 HydrophobicContact CB-CB 4.26Å; I76-L148 HydrophobicContact CB-CD1 4.47Å; I76-L148 HydrophobicContact CG2-CD1 3.95Å; I76-T161 HydrophobicContact CD1-CG2 4.01Å; I76-T161 HydrophobicContact CG2-CG2 3.72Å; I76-A165 HydrophobicContact CD1-CB 3.98Å
77G95.7Very high97Very high31 Ų3125.6 Ų25.632%0.3215%0.152SC..SBendtrans74.150.8-17400000109.8G79 C98G77-G79 PolarHBondContact O-N 3.34Å; G77-G79 VanDerWaalsContact O-N 3.07Å; G77-C98 WeakPolarHBondContact CA-O 2.87Å; G77-C98 PolarHBondContact N-O 3.33Å
78T96.6Very high97.2Very high8 Ų821.9 Ų21.95%0.04913%0.128CC..  trans-62.9-22.1-167.8-165.50000113.3D75 T80 G81 S84 A97 C98 E99 V123D75-T78 WeakPolarHBondContact OD2-CB 3.16Å; D75-T78 PolarHBondContact OD2-OG1 3.01Å; T78-T80 PolarHBondContact O-N 3.48Å; T78-G81 PolarHBondContact O-N 3.41Å; T78-G81 WeakPolarHBondContact OG1-CA 3.48Å; T78-S84 PolarHBondContact OG1-OG 2.9Å; T78-A97 HydrophobicContact CG2-CB 3.9Å; T78-C98 PolarHBondContact N-O 3.29Å; T78-E99 HydrophobicContact CG2-CB 3.75Å; T78-V123 HydrophobicContact CG2-CG1 4.36Å
79G94.4Very high97.3Very high18 Ų1818.7 Ų18.719%0.18612%0.117CC..THydrogen-bonded Turntrans54.9-112.3-179.600000110.8G77 G81 E99 M104 A108G77-G79 PolarHBondContact O-N 3.34Å; G77-G79 VanDerWaalsContact O-N 3.07Å; G79-G81 VanDerWaalsContact C-N 3.28Å; G79-G81 PolarHBondContact O-N 2.89Å; G79-E99 PolarHBondContact N-OE2 2.93Å; G79-M104 WeakPolarHBondContact O-CG 3.29Å; G79-A108 WeakPolarHBondContact O-CB 3.36Å
80T94.2Very high97.5Very high10 Ų1015.5 Ų15.56%0.06110%0.102CC..THydrogen-bonded Turntrans-76.7-6.3178.656.20000114.9L42 T78 L82 M104 I111 F593L42-T80 HydrophobicContact CD1-CG2 4.11Å; T78-T80 PolarHBondContact O-N 3.48Å; T80-L82 VanDerWaalsContact C-N 3.34Å; T80-M104 HydrophobicContact CG2-SD 4.32Å; T80-I111 HydrophobicContact CG2-CD1 4.18Å; T80-I111 WeakPolarHBondContact O-CD1 3.05Å; T80-F593 HydrophobicContact CG2-CB 4.11Å; T80-F593 HydrophobicContact CG2-CD2 3.38Å; T80-F593 HydrophobicContact CG2-CE2 3.69Å; T80-F593 HydrophobicContact CG2-CG 3.8Å; T80-F593 HydrophobicContact CG2-CZ 4.37Å
81G96.7Very high97.5Very high0 Ų013 Ų130%09%0.092CC..THydrogen-bonded Turntrans83.68.2-171.600000114T78 G79 L83 S84 M85T78-G81 PolarHBondContact O-N 3.41Å; T78-G81 WeakPolarHBondContact OG1-CA 3.48Å; G79-G81 VanDerWaalsContact C-N 3.28Å; G79-G81 PolarHBondContact O-N 2.89Å; G81-L83 PolarHBondContact O-N 2.94Å; G81-S84 WeakPolarHBondContact O-CB 3.41Å; G81-S84 PolarHBondContact O-N 3.38Å; G81-M85 WeakPolarHBondContact O-CG 3.34Å; G81-M85 PolarHBondContact O-N 3.45Å
82L96.8Very high97.5Very high9 Ų913.2 Ų13.25%0.0479%0.093CC..Hα-helixtrans-57.5-52.2-173179.865.2000112.8L42 T80 S84 M85 M86 F588L42-L82 HydrophobicContact CD2-CD2 3.87Å; T80-L82 VanDerWaalsContact C-N 3.34Å; L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 2.93Å; L82-M85 PolarHBondContact O-N 2.84Å; L82-M86 HydrophobicContact CD1-CE 3.84Å; L82-M86 HydrophobicContact CD2-CE 3.86Å; L82-M86 HydrophobicContact CG-CE 3.58Å; L82-M86 WeakPolarHBondContact O-CG 3.15Å; L82-M86 PolarHBondContact O-N 3.29Å; L82-F588 HydrophobicContact CD1-CD2 3.51Å; L82-F588 HydrophobicContact CD1-CE2 4.02Å; L82-F588 HydrophobicContact CD1-CG 4.42Å
83L98.1Very high97.4Very high18 Ų1816.6 Ų16.69%0.09411%0.112CC..Hα-helixtrans-65.7-37.7-179.4-59.9-172.9000111.8Y51 I55 G81 M85 M86 A87 V145 E147Y51-L83 HydrophobicContact CD1-CD1 3.89Å; Y51-L83 HydrophobicContact CD1-CD2 3.7Å; Y51-L83 HydrophobicContact CD1-CG 4.48Å; Y51-L83 HydrophobicContact CE1-CD1 3.88Å; Y51-L83 HydrophobicContact CE1-CD2 4.47Å; Y51-L83 HydrophobicContact CG-CD2 3.85Å; I55-L83 HydrophobicContact CD1-CB 4.36Å; I55-L83 HydrophobicContact CD1-CD2 4.24Å; G81-L83 PolarHBondContact O-N 2.94Å; L83-M85 PolarHBondContact O-N 2.95Å; L83-M86 HydrophobicContact CD2-CE 4.34Å; L83-M86 HydrophobicContact CD2-SD 3.91Å; L83-M86 WeakPolarHBondContact O-CB 3.49Å; L83-M86 PolarHBondContact O-N 2.95Å; L83-A87 PolarHBondContact O-N 3.29Å; L83-V145 HydrophobicContact CB-CG2 4.07Å; L83-V145 HydrophobicContact CD1-CB 4.38Å; L83-E147 HydrophobicContact CD1-CB 4.2Å
84S98.6Very high97.3Very high0 Ų019.3 Ų19.30%013%0.126CC..Hα-helixtrans-58.6-45.1172.4-72.80000112.6D75 T78 G81 L82 A87 V88 V95 A97D75-S84 VanDerWaalsContact CB-OG 3.28Å; D75-S84 WeakPolarHBondContact CB-OG 3.23Å; D75-S84 WeakPolarHBondContact OD2-CB 3.24Å; D75-S84 PolarHBondContact OD2-N 2.95Å; D75-S84 PolarHBondContact OD2-OG 3.39Å; T78-S84 PolarHBondContact OG1-OG 2.9Å; G81-S84 WeakPolarHBondContact O-CB 3.41Å; G81-S84 PolarHBondContact O-N 3.38Å; L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 2.93Å; S84-A87 WeakPolarHBondContact O-CB 3.18Å; S84-A87 PolarHBondContact O-N 3.26Å; S84-V88 PolarHBondContact O-N 2.88Å; S84-V95 WeakPolarHBondContact OG-CG1 3.41Å; S84-A97 WeakPolarHBondContact OG-CB 3.42Å
85M98.3Very high97.3Very high0 Ų019.3 Ų19.30%013%0.126CC..Hα-helixtrans-65.3-40.4176.9-67.5-171.3-7000112.1G81 L82 L83 A87 V88 N89 I111 L112 N115 F117 I121 F588 L590G81-M85 WeakPolarHBondContact O-CG 3.34Å; G81-M85 PolarHBondContact O-N 3.45Å; L82-M85 PolarHBondContact O-N 2.84Å; L83-M85 PolarHBondContact O-N 2.95Å; M85-A87 VanDerWaalsContact C-N 3.29Å; M85-A87 PolarHBondContact O-N 3.01Å; M85-V88 PolarHBondContact O-N 3.03Å; M85-N89 PolarHBondContact O-N 3.23Å; M85-I111 HydrophobicContact CE-CG2 3.55Å; M85-I111 HydrophobicContact SD-CG2 3.98Å; M85-L112 HydrophobicContact CG-CD2 3.52Å; M85-L112 HydrophobicContact SD-CD2 4.08Å; M85-N115 HydrophobicContact SD-CB 3.77Å; M85-F117 HydrophobicContact CB-CD2 4.07Å; M85-F117 HydrophobicContact CB-CE2 4.03Å; M85-F117 HydrophobicContact CG-CD2 3.57Å; M85-F117 HydrophobicContact CG-CE2 3.99Å; M85-F117 HydrophobicContact CG-CG 4.41Å; M85-F117 HydrophobicContact SD-CD2 3.75Å; M85-F117 HydrophobicContact SD-CE2 4.06Å; M85-I121 HydrophobicContact CG-CD1 4.09Å; M85-F588 HydrophobicContact CB-CD1 4.01Å; M85-F588 HydrophobicContact CB-CE1 3.53Å; M85-F588 HydrophobicContact CB-CE2 4.24Å; M85-F588 HydrophobicContact CB-CZ 3.64Å; M85-F588 HydrophobicContact CE-CB 3.81Å; M85-F588 HydrophobicContact CE-CD1 3.95Å; M85-F588 HydrophobicContact CE-CD2 4.28Å; M85-F588 HydrophobicContact CE-CG 3.75Å; M85-F588 HydrophobicContact CG-CE1 4.42Å; M85-F588 HydrophobicContact SD-CB 4.49Å; M85-F588 HydrophobicContact SD-CD1 3.76Å; M85-F588 HydrophobicContact SD-CE1 4.23Å; M85-F588 HydrophobicContact SD-CG 4.2Å; M85-L590 HydrophobicContact CE-CD2 4.07Å
86M98.3Very high97.3Very high2 Ų219.3 Ų19.31%0.0113%0.126CC..Hα-helixtrans-58.5-41.7172.7-65.7176.3-171.800111.6N48 R52 I55 L82 L83 N89 A90 E586 F588N48-M86 HydrophobicContact CB-CE 4.4Å; R52-M86 HydrophobicContact CB-CE 4.33Å; R52-M86 HydrophobicContact CB-CG 4.3Å; R52-M86 HydrophobicContact CB-SD 3.69Å; R52-M86 HydrophobicContact CG-CG 4.29Å; R52-M86 HydrophobicContact CG-SD 4.33Å; I55-M86 HydrophobicContact CD1-CB 3.96Å; I55-M86 HydrophobicContact CD1-SD 4.17Å; I55-M86 HydrophobicContact CG2-CB 4.46Å; L82-M86 HydrophobicContact CD1-CE 3.84Å; L82-M86 HydrophobicContact CD2-CE 3.86Å; L82-M86 HydrophobicContact CG-CE 3.58Å; L82-M86 WeakPolarHBondContact O-CG 3.15Å; L82-M86 PolarHBondContact O-N 3.29Å; L83-M86 HydrophobicContact CD2-CE 4.34Å; L83-M86 HydrophobicContact CD2-SD 3.91Å; L83-M86 WeakPolarHBondContact O-CB 3.49Å; L83-M86 PolarHBondContact O-N 2.95Å; M86-N89 PolarHBondContact O-N 3.44Å; M86-A90 WeakPolarHBondContact O-CB 3.38Å; M86-A90 PolarHBondContact O-N 3.21Å; M86-E586 HydrophobicContact CE-CB 4.15Å; M86-E586 HydrophobicContact CE-CG 3.58Å; M86-F588 HydrophobicContact CG-CE2 3.92Å; M86-F588 HydrophobicContact CG-CZ 4.37Å
87A98.5Very high97.3Very high0 Ų019 Ų190%013%0.125CC..Hα-helixtrans-64.3-43.2178.600000112.9I55 I59 V73 L83 S84 M85 A90 G91 A92 V95I55-A87 VanDerWaalsContact CG2-CA 3.49Å; I55-A87 HydrophobicContact CG2-CB 4Å; I59-A87 HydrophobicContact CD1-CB 4.06Å; I59-A87 WeakPolarHBondContact CD1-O 3.13Å; V73-A87 HydrophobicContact CB-CB 4.43Å; V73-A87 HydrophobicContact CG1-CB 4.18Å; V73-A87 HydrophobicContact CG2-CB 4.12Å; L83-A87 PolarHBondContact O-N 3.29Å; S84-A87 WeakPolarHBondContact O-CB 3.18Å; S84-A87 PolarHBondContact O-N 3.26Å; M85-A87 VanDerWaalsContact C-N 3.29Å; M85-A87 PolarHBondContact O-N 3.01Å; A87-A90 PolarHBondContact O-N 3.27Å; A87-G91 PolarHBondContact O-N 2.8Å; A87-A92 HydrophobicContact CB-CB 4.26Å; A87-A92 WeakPolarHBondContact O-CB 3.42Å; A87-A92 PolarHBondContact O-N 2.76Å; A87-V95 HydrophobicContact CB-CG2 4.19Å
88V98Very high97.4Very high9 Ų917.7 Ų17.76%0.05511%0.11CC..Hα-helixtrans-64-43.5175.1173.20000111.5S84 M85 A90 G91 V95 F117 K120 I121S84-V88 PolarHBondContact O-N 2.88Å; M85-V88 PolarHBondContact O-N 3.03Å; V88-A90 PolarHBondContact O-N 3.16Å; V88-G91 PolarHBondContact O-N 3.38Å; V88-V95 HydrophobicContact CG2-CG2 3.66Å; V88-F117 HydrophobicContact CB-CD1 4.14Å; V88-F117 HydrophobicContact CB-CE1 4.27Å; V88-F117 HydrophobicContact CG1-CD1 3.53Å; V88-F117 HydrophobicContact CG1-CE1 3.66Å; V88-K120 HydrophobicContact CG1-CB 4.24Å; V88-K120 HydrophobicContact CG1-CD 3.45Å; V88-K120 VanDerWaalsContact CG1-CD 3.45Å; V88-K120 HydrophobicContact CG2-CB 3.99Å; V88-I121 HydrophobicContact CB-CD1 4.47Å; V88-I121 HydrophobicContact CG2-CD1 3.68Å; V88-I121 HydrophobicContact CG2-CG1 3.54Å
89N97.1Very high97.4Very high104 Ų10418.5 Ų18.556%0.55611%0.113SC*.Hα-helixtrans-60.8-34.6175.4-86.8-8.2000112.7M85 M86 G91 F117 F588M85-N89 PolarHBondContact O-N 3.23Å; M86-N89 PolarHBondContact O-N 3.44Å; N89-G91 PolarHBondContact O-N 3.46Å; N89-F117 WeakPolarHBondContact OD1-CZ 3.24Å; N89-F588 WeakPolarHBondContact ND2-CE1 3.39Å; N89-F588 WeakPolarHBondContact ND2-CZ 3.4Å
90A97.6Very high97.5Very high15 Ų1520.7 Ų20.712%0.12413%0.126CC..THydrogen-bonded Turntrans-73.8-9175.500000114.2I55 E56 I59 M86 A87 V88I55-A90 HydrophobicContact CG2-CB 4Å; E56-A90 HydrophobicContact CB-CB 4.42Å; E56-A90 HydrophobicContact CG-CB 3.92Å; I59-A90 HydrophobicContact CB-CB 4.19Å; I59-A90 HydrophobicContact CD1-CB 3.71Å; I59-A90 HydrophobicContact CG1-CB 4.48Å; I59-A90 HydrophobicContact CG2-CB 4.4Å; I59-A90 VanDerWaalsContact CG2-O 3.27Å; I59-A90 WeakPolarHBondContact CG2-O 3.49Å; M86-A90 WeakPolarHBondContact O-CB 3.38Å; M86-A90 PolarHBondContact O-N 3.21Å; A87-A90 PolarHBondContact O-N 3.27Å; V88-A90 PolarHBondContact O-N 3.16Å
91G97.1Very high97.5Very high34 Ų3421.7 Ų21.735%0.35113%0.129SC..THydrogen-bonded Turntrans100.723.2177.100000115.2K63 A87 V88 N89K63-G91 WeakPolarHBondContact CE-O 3.36Å; A87-G91 PolarHBondContact O-N 2.8Å; V88-G91 PolarHBondContact O-N 3.38Å; N89-G91 PolarHBondContact O-N 3.46Å
92A98Very high97.3Very high5 Ų526.8 Ų26.84%0.04116%0.156CC..  trans-58.2141166.500000110.7I59 V73 A87 V95I59-A92 HydrophobicContact CD1-CB 4.07Å; V73-A92 HydrophobicContact CG2-CB 3.7Å; A87-A92 HydrophobicContact CB-CB 4.26Å; A87-A92 WeakPolarHBondContact O-CB 3.42Å; A87-A92 PolarHBondContact O-N 2.76Å; A92-V95 HydrophobicContact CB-CG2 4.09Å
93D96.9Very high97.2Very high78 Ų7827.3 Ų27.342%0.41716%0.16SC..SBendtrans-82.8-34.7179.2-59.8-65.2000111.7K63 P70 V71K63-D93 WeakPolarHBondContact CE-OD2 3.25Å; K63-D93 IonicContact NZ-OD1 2.7Å; K63-D93 PolarHBondContact NZ-OD1 2.74Å; K63-D93 IonicContact NZ-OD2 2.61Å; K63-D93 PolarHBondContact NZ-OD2 2.92Å; P70-D93 WeakPolarHBondContact CA-OD2 3.32Å; P70-D93 HydrophobicContact CB-CB 4.25Å; V71-D93 PolarHBondContact N-OD2 3.22Å; V71-D93 PolarHBondContact O-N 3.46Å
94L96.2Very high97Very high58 Ų5826.9 Ų26.930%0.30416%0.158SC..EExtended strand (participates in β ladder)trans-147.6140179.8176.866.6000109.4V71 H72 V73 P138V71-L94 PolarHBondContact O-N 2.85Å; H72-L94 WeakPolarHBondContact CA-O 3.3Å; V73-L94 PolarHBondContact N-O 3.22Å; L94-P138 HydrophobicContact CD2-CG 3.46Å; L94-P138 VanDerWaalsContact CD2-CG 3.46Å
95V98.6Very high96.9Very high0 Ų027 Ų270%016%0.159CC..EExtended strand (participates in β ladder)trans-122.5128.1168.7-172.70000109.8V73 D75 S84 A87 V88 A92 K120 I121 N122V73-V95 HydrophobicContact CB-CG1 4.27Å; V73-V95 HydrophobicContact CB-CG2 4.17Å; V73-V95 HydrophobicContact CG1-CG1 4.45Å; V73-V95 CarbonylContact O-C 3.57Å; V73-V95 WeakPolarHBondContact O-CA 3.28Å; D75-V95 HydrophobicContact CB-CG1 4.41Å; S84-V95 WeakPolarHBondContact OG-CG1 3.41Å; A87-V95 HydrophobicContact CB-CG2 4.19Å; V88-V95 HydrophobicContact CG2-CG2 3.66Å; A92-V95 HydrophobicContact CB-CG2 4.09Å; V95-K120 PolarHBondContact N-O 3.4Å; V95-K120 VanDerWaalsContact N-O 3.14Å; V95-I121 HydrophobicContact CB-CB 4.47Å; V95-I121 HydrophobicContact CB-CG1 4.03Å; V95-I121 HydrophobicContact CB-CG2 4.37Å; V95-I121 HydrophobicContact CG1-CG2 4.36Å; V95-I121 HydrophobicContact CG2-CG1 4.27Å; V95-N122 PolarHBondContact O-N 2.9Å
96T98.6Very high96.8Very high1 Ų130.2 Ų30.21%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-105.3116164.7-57.30000108.6H72 V73 L74 D75 I124 M137H72-T96 PolarHBondContact NE2-OG1 3.41Å; V73-T96 PolarHBondContact O-N 2.93Å; L74-T96 CarbonylContact C-O 3.59Å; L74-T96 VanDerWaalsContact CA-O 3.3Å; L74-T96 WeakPolarHBondContact CA-O 3.46Å; L74-T96 HydrophobicContact CD1-CG2 4.32Å; L74-T96 VanDerWaalsContact CD1-O 3.32Å; L74-T96 WeakPolarHBondContact CD1-O 3.36Å; D75-T96 PolarHBondContact N-O 3.09Å; T96-I124 HydrophobicContact CG2-CD1 3.58Å; T96-I124 HydrophobicContact CG2-CG1 4.28Å; T96-M137 HydrophobicContact CG2-CG 3.74Å
97A98.6Very high96.7Very high0 Ų030.4 Ų30.40%018%0.18CC..EExtended strand (participates in β ladder)trans-109.3138.9-179.700000109.5D75 T78 S84 I121 N122 V123 I124D75-A97 HydrophobicContact CB-CB 4.11Å; D75-A97 CarbonylContact O-C 3.59Å; D75-A97 WeakPolarHBondContact O-CA 3.26Å; T78-A97 HydrophobicContact CG2-CB 3.9Å; S84-A97 WeakPolarHBondContact OG-CB 3.42Å; A97-I121 HydrophobicContact CB-CG2 4.14Å; A97-N122 PolarHBondContact N-O 2.65Å; A97-V123 HydrophobicContact CB-CG2 4.27Å; A97-V123 CarbonylContact O-C 3.58Å; A97-V123 WeakPolarHBondContact O-CA 3.21Å; A97-I124 PolarHBondContact O-N 3.25Å
98C98.4Very high96.6Very high2 Ų230.4 Ų30.41%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-124.8136.8172.267.60000112D75 G77 T78 I124 L131D75-C98 PolarHBondContact O-N 2.68Å; G77-C98 WeakPolarHBondContact CA-O 2.87Å; G77-C98 PolarHBondContact N-O 3.33Å; T78-C98 PolarHBondContact N-O 3.29Å; C98-I124 WeakPolarHBondContact CA-O 3.31Å; C98-L131 HydrophobicContact CB-CD1 3.96Å; C98-L131 HydrophobicContact CB-CD2 4.29Å; C98-L131 HydrophobicContact CB-CG 4.5Å
99E97.2Very high96.6Very high25 Ų2533.5 Ų33.512%0.11720%0.196CC..  trans-137.7126.4174.4173.949.8-108.600107.6T78 G79 F101 M104 A105 I124 P125 K126T78-E99 HydrophobicContact CG2-CB 3.75Å; G79-E99 PolarHBondContact N-OE2 2.93Å; E99-F101 WeakPolarHBondContact OE1-CB 3.1Å; E99-F101 PolarHBondContact OE1-N 3.38Å; E99-M104 HydrophobicContact CG-CB 3.98Å; E99-M104 HydrophobicContact CG-CG 4.19Å; E99-A105 HydrophobicContact CB-CB 3.97Å; E99-A105 HydrophobicContact CG-CB 4.02Å; E99-I124 PolarHBondContact N-O 3.49Å; E99-I124 VanDerWaalsContact N-O 3.15Å; E99-P125 CarbonylContact O-C 3.49Å; E99-P125 VanDerWaalsContact O-C 3.29Å; E99-P125 WeakPolarHBondContact O-CA 3.01Å; E99-K126 CarbonylContact C-O 3.6Å; E99-K126 PolarHBondContact O-N 2.91Å; E99-K126 VanDerWaalsContact O-N 3.11Å
100S95.1Very high96.6Very high64 Ų6431.3 Ų31.345%0.44818%0.184SC..SBendtrans-84.6-24.6-177.168.10000113L102S100-L102 PolarHBondContact O-N 3.47Å
101F94.1Very high96.6Very high31 Ų3130.6 Ų30.614%0.13618%0.178CC..SBendtrans-84.7102.4178.3-172.8-132.4000110.5E32 I33 E99 P103 M104 A105E32-F101 HydrophobicContact CB-CZ 4.39Å; E32-F101 VanDerWaalsContact CD-CE2 3.5Å; E32-F101 HydrophobicContact CG-CE2 3.87Å; E32-F101 HydrophobicContact CG-CZ 3.87Å; E32-F101 WeakPolarHBondContact OE1-CE2 3.35Å; I33-F101 HydrophobicContact CG1-CE1 4.08Å; I33-F101 HydrophobicContact CG1-CZ 3.8Å; E99-F101 WeakPolarHBondContact OE1-CB 3.1Å; E99-F101 PolarHBondContact OE1-N 3.38Å; F101-P103 VanDerWaalsContact C-CD 3.43Å; F101-P103 HydrophobicContact CD1-CB 4.48Å; F101-P103 HydrophobicContact CD1-CG 4.49Å; F101-P103 HydrophobicContact CD2-CG 4.28Å; F101-P103 HydrophobicContact CE1-CB 3.98Å; F101-P103 HydrophobicContact CE1-CG 3.98Å; F101-P103 HydrophobicContact CE2-CG 3.74Å; F101-P103 HydrophobicContact CZ-CB 4.05Å; F101-P103 HydrophobicContact CZ-CG 3.57Å; F101-M104 HydrophobicContact CB-CB 4.36Å; F101-M104 HydrophobicContact CD1-CB 3.78Å; F101-M104 HydrophobicContact CG-CB 4.48Å; F101-M104 WeakPolarHBondContact O-CB 3.45Å; F101-M104 PolarHBondContact O-N 2.9Å; F101-A105 PolarHBondContact O-N 3.01Å
102L94.3Very high96.6Very high107 Ų10729 Ų2956%0.5616%0.162SC*.Hα-helixtrans-52.6-40.9-172.4-178.963.8000115.3S100 M104 A105 T106 P125S100-L102 PolarHBondContact O-N 3.47Å; L102-M104 VanDerWaalsContact C-N 3.3Å; L102-M104 PolarHBondContact O-N 3.17Å; L102-A105 PolarHBondContact O-N 3.39Å; L102-T106 WeakPolarHBondContact O-CB 3.47Å; L102-T106 PolarHBondContact O-N 2.87Å; L102-T106 PolarHBondContact O-OG1 3.49Å; L102-P125 HydrophobicContact CD1-CB 4.01Å
103P93.5Very high96.6Very high20 Ų2036 Ų3613%0.1319%0.187CC..Hα-helixtrans-60.3-41.5176.2-24.937.7000111.9F29 I33 F101 T106 C107F29-P103 HydrophobicContact CE2-CG 3.47Å; F29-P103 VanDerWaalsContact CE2-CG 3.47Å; F29-P103 HydrophobicContact CZ-CB 4.25Å; F29-P103 HydrophobicContact CZ-CG 3.41Å; F29-P103 VanDerWaalsContact CZ-CG 3.41Å; I33-P103 HydrophobicContact CD1-CB 4.09Å; I33-P103 HydrophobicContact CD1-CG 4.37Å; I33-P103 HydrophobicContact CG1-CB 4.08Å; I33-P103 HydrophobicContact CG1-CG 4.33Å; F101-P103 VanDerWaalsContact C-CD 3.43Å; F101-P103 HydrophobicContact CD1-CB 4.48Å; F101-P103 HydrophobicContact CD1-CG 4.49Å; F101-P103 HydrophobicContact CD2-CG 4.28Å; F101-P103 HydrophobicContact CE1-CB 3.98Å; F101-P103 HydrophobicContact CE1-CG 3.98Å; F101-P103 HydrophobicContact CE2-CG 3.74Å; F101-P103 HydrophobicContact CZ-CB 4.05Å; F101-P103 HydrophobicContact CZ-CG 3.57Å; P103-T106 PolarHBondContact O-N 3.07Å; P103-C107 WeakPolarHBondContact O-CB 3.39Å; P103-C107 PolarHBondContact O-N 2.64Å
104M94.7Very high96.5Very high9 Ų936.5 Ų36.54%0.04419%0.19CC..Hα-helixtrans-70.6-41.1177.4-168.455.763.100112G79 T80 E99 F101 L102 T106 C107 A108 F593G79-M104 WeakPolarHBondContact O-CG 3.29Å; T80-M104 HydrophobicContact CG2-SD 4.32Å; E99-M104 HydrophobicContact CG-CB 3.98Å; E99-M104 HydrophobicContact CG-CG 4.19Å; F101-M104 HydrophobicContact CB-CB 4.36Å; F101-M104 HydrophobicContact CD1-CB 3.78Å; F101-M104 HydrophobicContact CG-CB 4.48Å; F101-M104 WeakPolarHBondContact O-CB 3.45Å; F101-M104 PolarHBondContact O-N 2.9Å; L102-M104 VanDerWaalsContact C-N 3.3Å; L102-M104 PolarHBondContact O-N 3.17Å; M104-T106 VanDerWaalsContact C-N 3.27Å; M104-T106 PolarHBondContact O-N 3.17Å; M104-C107 WeakPolarHBondContact O-CA 3.33Å; M104-C107 VanDerWaalsContact O-CB 3.29Å; M104-C107 WeakPolarHBondContact O-CB 3.2Å; M104-C107 PolarHBondContact O-N 2.87Å; M104-C107 VanDerWaalsContact O-N 3.12Å; M104-C107 HydrophobicContact SD-CB 4.25Å; M104-A108 PolarHBondContact O-N 2.94Å; M104-F593 HydrophobicContact CE-CD2 3.85Å; M104-F593 HydrophobicContact CE-CE2 3.57Å; M104-F593 HydrophobicContact SD-CD2 3.94Å; M104-F593 HydrophobicContact SD-CE2 4.05Å
105A96.6Very high96.6Very high4 Ų435.5 Ų35.53%0.03319%0.185CC..Hα-helixtrans-58.9-39.7173.600000112.1E99 F101 L102 A108 L109 V123 P125E99-A105 HydrophobicContact CB-CB 3.97Å; E99-A105 HydrophobicContact CG-CB 4.02Å; F101-A105 PolarHBondContact O-N 3.01Å; L102-A105 PolarHBondContact O-N 3.39Å; A105-A108 PolarHBondContact O-N 2.94Å; A105-L109 WeakPolarHBondContact O-CG 3.29Å; A105-L109 PolarHBondContact O-N 3.2Å; A105-L109 VanDerWaalsContact O-N 3.16Å; A105-V123 HydrophobicContact CB-CG1 4.29Å; A105-P125 HydrophobicContact CB-CB 4.18Å
106T96.5Very high96.4Very high66 Ų6638.6 Ų38.641%0.40522%0.216SC..Hα-helixtrans-67.8-40.5175.6-55.50000111.4L102 P103 M104 L109 N110L102-T106 WeakPolarHBondContact O-CB 3.47Å; L102-T106 PolarHBondContact O-N 2.87Å; L102-T106 PolarHBondContact O-OG1 3.49Å; P103-T106 PolarHBondContact O-N 3.07Å; M104-T106 VanDerWaalsContact C-N 3.27Å; M104-T106 PolarHBondContact O-N 3.17Å; T106-L109 PolarHBondContact O-N 3.39Å; T106-N110 PolarHBondContact O-N 3.33Å
107C95.7Very high96.3Very high6 Ų639.8 Ų39.84%0.04122%0.222CC..Hα-helixtrans-59.1-48.3173.3-172.80000111.7P103 M104 L109 N110 I111 F593 L596P103-C107 WeakPolarHBondContact O-CB 3.39Å; P103-C107 PolarHBondContact O-N 2.64Å; M104-C107 WeakPolarHBondContact O-CA 3.33Å; M104-C107 VanDerWaalsContact O-CB 3.29Å; M104-C107 WeakPolarHBondContact O-CB 3.2Å; M104-C107 PolarHBondContact O-N 2.87Å; M104-C107 VanDerWaalsContact O-N 3.12Å; M104-C107 HydrophobicContact SD-CB 4.25Å; C107-L109 VanDerWaalsContact C-N 3.32Å; C107-L109 PolarHBondContact O-N 2.6Å; C107-N110 WeakPolarHBondContact O-CB 3.24Å; C107-N110 PolarHBondContact O-N 2.88Å; C107-I111 WeakPolarHBondContact O-CG1 3.49Å; C107-I111 PolarHBondContact O-N 3.47Å; C107-F593 VanDerWaalsContact SG-CA 3.54Å; C107-L596 HydrophobicContact CB-CD2 3.74Å
108A96.8Very high96Very high0 Ų042.5 Ų42.50%024%0.24CC..Hα-helixtrans-54.3-47.4176.300000111.3G79 M104 A105 N110 I111 L112 V123G79-A108 WeakPolarHBondContact O-CB 3.36Å; M104-A108 PolarHBondContact O-N 2.94Å; A105-A108 PolarHBondContact O-N 2.94Å; A108-N110 VanDerWaalsContact C-N 3.27Å; A108-N110 PolarHBondContact O-N 3.31Å; A108-I111 PolarHBondContact O-N 3.49Å; A108-I111 VanDerWaalsContact O-N 3.14Å; A108-L112 WeakPolarHBondContact O-CB 3.39Å; A108-L112 WeakPolarHBondContact O-CG 3.13Å; A108-L112 PolarHBondContact O-N 2.94Å; A108-V123 HydrophobicContact CB-CG2 4.5Å
109L97.8Very high95.7Very high75 Ų7550.3 Ų50.339%0.39328%0.282SS..Hα-helixtrans-57.7-37.8177.1-72.5169.2000113.1A105 T106 C107 R113 V123A105-L109 WeakPolarHBondContact O-CG 3.29Å; A105-L109 PolarHBondContact O-N 3.2Å; A105-L109 VanDerWaalsContact O-N 3.16Å; T106-L109 PolarHBondContact O-N 3.39Å; C107-L109 VanDerWaalsContact C-N 3.32Å; C107-L109 PolarHBondContact O-N 2.6Å; L109-R113 WeakPolarHBondContact O-CB 3.38Å; L109-R113 PolarHBondContact O-N 3.43Å; L109-R113 VanDerWaalsContact O-N 3.09Å; L109-V123 HydrophobicContact CD2-CB 3.88Å; L109-V123 HydrophobicContact CD2-CG2 4.02Å; L109-V123 HydrophobicContact CG-CB 4.2Å; L109-V123 HydrophobicContact CG-CG2 4.45Å
110N97.1Very high95.5Very high57 Ų5754.3 Ų54.331%0.30530%0.299SS..Hα-helixtrans-71-41.9176.1-69.6-30.1000112T106 C107 A108 R113 N114 P592T106-N110 PolarHBondContact O-N 3.33Å; C107-N110 WeakPolarHBondContact O-CB 3.24Å; C107-N110 PolarHBondContact O-N 2.88Å; A108-N110 VanDerWaalsContact C-N 3.27Å; A108-N110 PolarHBondContact O-N 3.31Å; N110-R113 WeakPolarHBondContact O-CB 3.48Å; N110-R113 PolarHBondContact O-N 3Å; N110-R113 PolarHBondContact OD1-NH1 3.15Å; N110-N114 PolarHBondContact O-N 2.6Å; N110-N114 PolarHBondContact O-OD1 3.34Å; N110-P592 HydrophobicContact CB-CB 4.23Å; N110-P592 HydrophobicContact CB-CG 4.5Å
111I97.3Very high95.7Very high0 Ų051.5 Ų51.50%028%0.279CS..Hα-helixtrans-59.3-48.2174.4-70168.8000110.4T80 M85 C107 A108 R113 N114 N115 L590 P592 F593T80-I111 HydrophobicContact CG2-CD1 4.18Å; T80-I111 WeakPolarHBondContact O-CD1 3.05Å; M85-I111 HydrophobicContact CE-CG2 3.55Å; M85-I111 HydrophobicContact SD-CG2 3.98Å; C107-I111 WeakPolarHBondContact O-CG1 3.49Å; C107-I111 PolarHBondContact O-N 3.47Å; A108-I111 PolarHBondContact O-N 3.49Å; A108-I111 VanDerWaalsContact O-N 3.14Å; I111-R113 VanDerWaalsContact C-N 3.28Å; I111-R113 PolarHBondContact O-N 3.35Å; I111-N114 PolarHBondContact O-N 3.35Å; I111-N115 PolarHBondContact O-N 3.11Å; I111-N115 PolarHBondContact O-ND2 2.97Å; I111-L590 HydrophobicContact CD1-CD2 4.13Å; I111-L590 HydrophobicContact CG2-CD2 3.77Å; I111-P592 HydrophobicContact CG1-CB 3.91Å; I111-P592 HydrophobicContact CG1-CG 3.95Å; I111-F593 HydrophobicContact CD1-CB 4.03Å
112L98Very high95.8Very high1 Ų154 Ų541%0.00529%0.294CS..Hα-helixtrans-59.2-39.5177.6-67.8176.8000111.9M85 A108 G116 F117 I121 V123M85-L112 HydrophobicContact CG-CD2 3.52Å; M85-L112 HydrophobicContact SD-CD2 4.08Å; A108-L112 WeakPolarHBondContact O-CB 3.39Å; A108-L112 WeakPolarHBondContact O-CG 3.13Å; A108-L112 PolarHBondContact O-N 2.94Å; L112-G116 PolarHBondContact O-N 2.92Å; L112-F117 HydrophobicContact CD2-CB 4.18Å; L112-F117 PolarHBondContact O-N 3.07Å; L112-I121 HydrophobicContact CD1-CB 3.92Å; L112-I121 HydrophobicContact CD1-CG2 3.65Å; L112-I121 HydrophobicContact CD2-CB 4.2Å; L112-I121 HydrophobicContact CD2-CD1 3.42Å; L112-I121 VanDerWaalsContact CD2-CD1 3.42Å; L112-I121 HydrophobicContact CD2-CG1 4.34Å; L112-I121 HydrophobicContact CD2-CG2 4.23Å; L112-V123 HydrophobicContact CD1-CG2 3.39Å
113R96.7Very high96Very high152 Ų15249.5 Ų49.557%0.57427%0.271SS*.Hα-helixtrans-64.5-46.9175.4-169.9-173.8-59.8126.36.5111.7L109 N110 I111 N115 G116 S118L109-R113 WeakPolarHBondContact O-CB 3.38Å; L109-R113 PolarHBondContact O-N 3.43Å; L109-R113 VanDerWaalsContact O-N 3.09Å; N110-R113 WeakPolarHBondContact O-CB 3.48Å; N110-R113 PolarHBondContact O-N 3Å; N110-R113 PolarHBondContact OD1-NH1 3.15Å; I111-R113 VanDerWaalsContact C-N 3.28Å; I111-R113 PolarHBondContact O-N 3.35Å; R113-N115 PolarHBondContact O-N 2.84Å; R113-G116 PolarHBondContact O-N 3.24Å; R113-G116 VanDerWaalsContact O-N 3.15Å; R113-S118 VanDerWaalsContact CA-OG 3.27Å; R113-S118 WeakPolarHBondContact CA-OG 3.35Å; R113-S118 PolarHBondContact N-OG 3.15Å
114N95.9Very high96.2Very high88 Ų8849.1 Ų49.147%0.47127%0.267SS..Hα-helixtrans-63.8-31.4-179.5-72.63.2000112.6N110 I111 P592N110-N114 PolarHBondContact O-N 2.6Å; N110-N114 PolarHBondContact O-OD1 3.34Å; I111-N114 PolarHBondContact O-N 3.35Å; N114-P592 VanDerWaalsContact ND2-CG 3.34Å; N114-P592 WeakPolarHBondContact ND2-CG 3.41Å
115N96.6Very high96.4Very high38 Ų3852.3 Ų52.320%0.20329%0.289CS..THydrogen-bonded Turntrans-92.90178-68-84.7000113.6M85 I111 R113 F117 D589M85-N115 HydrophobicContact SD-CB 3.77Å; I111-N115 PolarHBondContact O-N 3.11Å; I111-N115 PolarHBondContact O-ND2 2.97Å; R113-N115 PolarHBondContact O-N 2.84Å; N115-F117 HydrophobicContact CB-CD2 3.66Å; N115-F117 HydrophobicContact CB-CE2 3.77Å; N115-D589 PolarHBondContact ND2-O 2.98Å; N115-D589 PolarHBondContact OD1-N 3.08Å
116G95.3Very high96.4Very high64 Ų6455.4 Ų55.466%0.6630%0.301SS*.THydrogen-bonded Turntrans77.227.7174.900000115.6L112 R113L112-G116 PolarHBondContact O-N 2.92Å; R113-G116 PolarHBondContact O-N 3.24Å; R113-G116 VanDerWaalsContact O-N 3.15Å
117F95.9Very high96.4Very high27 Ų2760 Ų6012%0.11831%0.311CS..  trans-111.64.7-176.9-61.7-61.5000115.6M85 V88 N89 L112 N115 D119 K120 I121 F588M85-F117 HydrophobicContact CB-CD2 4.07Å; M85-F117 HydrophobicContact CB-CE2 4.03Å; M85-F117 HydrophobicContact CG-CD2 3.57Å; M85-F117 HydrophobicContact CG-CE2 3.99Å; M85-F117 HydrophobicContact CG-CG 4.41Å; M85-F117 HydrophobicContact SD-CD2 3.75Å; M85-F117 HydrophobicContact SD-CE2 4.06Å; V88-F117 HydrophobicContact CB-CD1 4.14Å; V88-F117 HydrophobicContact CB-CE1 4.27Å; V88-F117 HydrophobicContact CG1-CD1 3.53Å; V88-F117 HydrophobicContact CG1-CE1 3.66Å; N89-F117 WeakPolarHBondContact OD1-CZ 3.24Å; L112-F117 HydrophobicContact CD2-CB 4.18Å; L112-F117 PolarHBondContact O-N 3.07Å; N115-F117 HydrophobicContact CB-CD2 3.66Å; N115-F117 HydrophobicContact CB-CE2 3.77Å; F117-D119 PolarHBondContact O-N 2.62Å; F117-K120 PolarHBondContact O-N 3.42Å; F117-I121 HydrophobicContact CB-CD1 3.83Å; F117-I121 HydrophobicContact CB-CG1 4.42Å; F117-I121 HydrophobicContact CG-CD1 4.4Å; F117-I121 PolarHBondContact O-N 2.76Å; F117-F588 HydrophobicContact CE2-CD1 4.22Å; F117-F588 AromaticContact CE2-CE1 3.81Å; F117-F588 HydrophobicContact CE2-CE1 3.81Å; F117-F588 HydrophobicContact CZ-CE1 4.29Å
118S93Very high96.6Very high56 Ų5660 Ų6039%0.39231%0.312SS..THydrogen-bonded Turntrans-54.2-30.4-176.6-60.50000114.6R113R113-S118 VanDerWaalsContact CA-OG 3.27Å; R113-S118 WeakPolarHBondContact CA-OG 3.35Å; R113-S118 PolarHBondContact N-OG 3.15Å
119D92.3Very high96.6Very high167 Ų16763 Ų6389%0.89333%0.33SS*.THydrogen-bonded Turntrans-82.1-12.2-177.6-60.8-30.6000113.8F117F117-D119 PolarHBondContact O-N 2.62Å
120K93.6Very high96.6Very high108 Ų10863.8 Ų63.847%0.4734%0.335SS..THydrogen-bonded Turntrans-112.9-19.4-173.9-68.8-172.7174.7-174.50114.3V88 V95 F117V88-K120 HydrophobicContact CG1-CB 4.24Å; V88-K120 HydrophobicContact CG1-CD 3.45Å; V88-K120 VanDerWaalsContact CG1-CD 3.45Å; V88-K120 HydrophobicContact CG2-CB 3.99Å; V95-K120 PolarHBondContact N-O 3.4Å; V95-K120 VanDerWaalsContact N-O 3.14Å; F117-K120 PolarHBondContact O-N 3.42Å
121I97.8Very high96.6Very high6 Ų661.5 Ų61.53%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-119113.2-175.5-58.1172.9000108.3M85 V88 V95 A97 L112 F117 V123M85-I121 HydrophobicContact CG-CD1 4.09Å; V88-I121 HydrophobicContact CB-CD1 4.47Å; V88-I121 HydrophobicContact CG2-CD1 3.68Å; V88-I121 HydrophobicContact CG2-CG1 3.54Å; V95-I121 HydrophobicContact CB-CB 4.47Å; V95-I121 HydrophobicContact CB-CG1 4.03Å; V95-I121 HydrophobicContact CB-CG2 4.37Å; V95-I121 HydrophobicContact CG1-CG2 4.36Å; V95-I121 HydrophobicContact CG2-CG1 4.27Å; A97-I121 HydrophobicContact CB-CG2 4.14Å; L112-I121 HydrophobicContact CD1-CB 3.92Å; L112-I121 HydrophobicContact CD1-CG2 3.65Å; L112-I121 HydrophobicContact CD2-CB 4.2Å; L112-I121 HydrophobicContact CD2-CD1 3.42Å; L112-I121 VanDerWaalsContact CD2-CD1 3.42Å; L112-I121 HydrophobicContact CD2-CG1 4.34Å; L112-I121 HydrophobicContact CD2-CG2 4.23Å; F117-I121 HydrophobicContact CB-CD1 3.83Å; F117-I121 HydrophobicContact CB-CG1 4.42Å; F117-I121 HydrophobicContact CG-CD1 4.4Å; F117-I121 PolarHBondContact O-N 2.76Å; I121-V123 HydrophobicContact CG2-CG2 4.22Å
122N96.8Very high96.7Very high82 Ų8266.1 Ų66.144%0.43935%0.346SS..EExtended strand (participates in β ladder)trans-94.1109.1174.8-175.735.4000109.9V95 A97V95-N122 PolarHBondContact O-N 2.9Å; A97-N122 PolarHBondContact N-O 2.65Å
123V98.2Very high96.7Very high13 Ų1368.8 Ų68.88%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-91.7125.1177.6-176.90000110.1T78 A97 A105 A108 L109 L112 I121T78-V123 HydrophobicContact CG2-CG1 4.36Å; A97-V123 HydrophobicContact CB-CG2 4.27Å; A97-V123 CarbonylContact O-C 3.58Å; A97-V123 WeakPolarHBondContact O-CA 3.21Å; A105-V123 HydrophobicContact CB-CG1 4.29Å; A108-V123 HydrophobicContact CB-CG2 4.5Å; L109-V123 HydrophobicContact CD2-CB 3.88Å; L109-V123 HydrophobicContact CD2-CG2 4.02Å; L109-V123 HydrophobicContact CG-CB 4.2Å; L109-V123 HydrophobicContact CG-CG2 4.45Å; L112-V123 HydrophobicContact CD1-CG2 3.39Å; I121-V123 HydrophobicContact CG2-CG2 4.22Å
124I98.1Very high96.7Very high12 Ų1264.8 Ų64.86%0.06237%0.369CS..EExtended strand (participates in β ladder)trans-115.1118.1-176.5-52.2-176000109.1T96 A97 C98 E99 K126 L131 D136T96-I124 HydrophobicContact CG2-CD1 3.58Å; T96-I124 HydrophobicContact CG2-CG1 4.28Å; A97-I124 PolarHBondContact O-N 3.25Å; C98-I124 WeakPolarHBondContact CA-O 3.31Å; E99-I124 PolarHBondContact N-O 3.49Å; E99-I124 VanDerWaalsContact N-O 3.15Å; I124-K126 HydrophobicContact CG2-CB 4.1Å; I124-K126 HydrophobicContact CG2-CD 3.87Å; I124-K126 HydrophobicContact CG2-CG 3.94Å; I124-K126 PolarHBondContact O-N 3.44Å; I124-L131 HydrophobicContact CB-CD2 4.22Å; I124-L131 HydrophobicContact CD1-CD2 4.12Å; I124-L131 HydrophobicContact CG2-CD2 3.83Å; I124-D136 HydrophobicContact CD1-CB 3.7Å; I124-D136 WeakPolarHBondContact CD1-O 3.36Å
125P97.6Very high96.7Very high76 Ų7666.6 Ų66.649%0.49438%0.378SS..SBendtrans-77.965.7-176.932.1-35.5000111.8E99 L102 A105E99-P125 CarbonylContact O-C 3.49Å; E99-P125 VanDerWaalsContact O-C 3.29Å; E99-P125 WeakPolarHBondContact O-CA 3.01Å; L102-P125 HydrophobicContact CD1-CB 4.01Å; A105-P125 HydrophobicContact CB-CB 4.18Å
126K97.8Very high96.8Very high69 Ų6965.9 Ų65.930%0.337%0.374SS..SBendtrans-145.8160.6-175.3-70.5-177.4179.7173.80111.4E99 I124 L131 D136E99-K126 CarbonylContact C-O 3.6Å; E99-K126 PolarHBondContact O-N 2.91Å; E99-K126 VanDerWaalsContact O-N 3.11Å; I124-K126 HydrophobicContact CG2-CB 4.1Å; I124-K126 HydrophobicContact CG2-CD 3.87Å; I124-K126 HydrophobicContact CG2-CG 3.94Å; I124-K126 PolarHBondContact O-N 3.44Å; K126-L131 HydrophobicContact CB-CD2 4.26Å; K126-L131 HydrophobicContact CD-CD2 4.36Å; K126-D136 IonicContact NZ-OD1 3.65Å; K126-D136 PolarHBondContact NZ-OD1 2.78Å; K126-D136 IonicContact NZ-OD2 2.66Å; K126-D136 PolarHBondContact NZ-OD2 3.11Å
127R97.2Very high96.9Very high162 Ų16262.9 Ų62.961%0.61134%0.343SS*.  trans-68.9147.5162.1-66.4-179.8175.9-97.6-4.6109.8T129 D130R127-T129 PolarHBondContact O-N 3Å; R127-D130 PolarHBondContact O-N 3.01Å
128S97.9Very high96.9Very high8 Ų865.8 Ų65.86%0.05636%0.364CS..G310 helixtrans-59.5-30.6176.560.10000112.9D130 L131 H164 L169S128-D130 PolarHBondContact O-N 3.03Å; S128-L131 WeakPolarHBondContact O-CB 3.5Å; S128-L131 PolarHBondContact O-N 3.13Å; S128-H164 PolarHBondContact O-CE1 3.46Å; S128-L169 WeakPolarHBondContact O-CD1 3.26Å
129T97.3Very high97.1Very high62 Ų6266.1 Ų66.138%0.3837%0.366SS..G310 helixtrans-66.3-17.5176.252.60000114.1R127 H164R127-T129 PolarHBondContact O-N 3Å; T129-H164 VanDerWaalsContact CA-CE1 3.47Å; T129-H164 WeakPolarHBondContact CA-CE1 3.36Å; T129-H164 HydrophobicContact CG2-CB 4.17Å; T129-H164 PolarHBondContact O-NE2 2.94Å
130D98Very high97.4Very high92 Ų9262.2 Ų62.249%0.49234%0.341SS..G310 helixtrans-1041.5-179.6-56.4-35.3000112.5R127 S128R127-D130 PolarHBondContact O-N 3.01Å; S128-D130 PolarHBondContact O-N 3.03Å
131L98.2Very high97.6Very high9 Ų957 Ų575%0.04732%0.318CS..  trans-74.3133.5177.2-64.8179.2000111L74 C98 I124 K126 S128 D136 M137 L169L74-L131 HydrophobicContact CD1-CD1 4.1Å; C98-L131 HydrophobicContact CB-CD1 3.96Å; C98-L131 HydrophobicContact CB-CD2 4.29Å; C98-L131 HydrophobicContact CB-CG 4.5Å; I124-L131 HydrophobicContact CB-CD2 4.22Å; I124-L131 HydrophobicContact CD1-CD2 4.12Å; I124-L131 HydrophobicContact CG2-CD2 3.83Å; K126-L131 HydrophobicContact CB-CD2 4.26Å; K126-L131 HydrophobicContact CD-CD2 4.36Å; S128-L131 WeakPolarHBondContact O-CB 3.5Å; S128-L131 PolarHBondContact O-N 3.13Å; L131-D136 HydrophobicContact CD2-CB 3.97Å; L131-M137 HydrophobicContact CD1-SD 4.33Å; L131-L169 HydrophobicContact CB-CD1 4.37Å; L131-L169 HydrophobicContact CB-CD2 3.96Å; L131-L169 HydrophobicContact CD1-CD1 4.21Å
132I98Very high97.6Very high97 Ų9758.2 Ų58.250%0.49733%0.325SS..  trans-116.1120.6179.5-56.8175.7000110.1G134 L135 D136 M137I132-G134 PolarHBondContact O-N 3.31Å; I132-L135 HydrophobicContact CB-CB 4.18Å; I132-L135 HydrophobicContact CD1-CD2 4.32Å; I132-L135 HydrophobicContact CG2-CB 4.24Å; I132-L135 PolarHBondContact O-N 3.02Å; I132-L135 VanDerWaalsContact O-N 3.15Å; I132-D136 PolarHBondContact N-OD2 3.41Å; I132-D136 PolarHBondContact O-N 3.21Å; I132-M137 PolarHBondContact O-N 2.89Å
133V97.9Very high97.7Very high56 Ų5654.3 Ų54.334%0.33930%0.304SS..BIsolated β-bridgetrans-66.6130.2171.4-1780000109.8M137 K140 L169V133-M137 CarbonylContact C-O 3.55Å; V133-M137 HydrophobicContact CG2-CB 4.47Å; V133-M137 HydrophobicContact CG2-SD 4.45Å; V133-K140 HydrophobicContact CG1-CG 4.42Å; V133-K140 HydrophobicContact CG2-CG 4.08Å; V133-L169 HydrophobicContact CG2-CD2 4.3Å
134G96.5Very high97.7Very high69 Ų6953.8 Ų53.871%0.71130%0.301SS*.THydrogen-bonded Turntrans96.8-15.1-171.800000114.2I132 M137I132-G134 PolarHBondContact O-N 3.31Å; G134-M137 PolarHBondContact N-O 2.91Å
135L97Very high97.7Very high126 Ų12653.2 Ų53.266%0.6630%0.298SS*.THydrogen-bonded Turntrans-117.2-61.1177.3178.166.8000111.2I132I132-L135 HydrophobicContact CB-CB 4.18Å; I132-L135 HydrophobicContact CD1-CD2 4.32Å; I132-L135 HydrophobicContact CG2-CB 4.24Å; I132-L135 PolarHBondContact O-N 3.02Å; I132-L135 VanDerWaalsContact O-N 3.15Å
136D97.6Very high97.7Very high22 Ų2249.7 Ų49.712%0.11828%0.275CS..THydrogen-bonded Turntrans-88.9-38.7-177.9-64.2-56.7000111.1I124 K126 L131 I132I124-D136 HydrophobicContact CD1-CB 3.7Å; I124-D136 WeakPolarHBondContact CD1-O 3.36Å; K126-D136 IonicContact NZ-OD1 3.65Å; K126-D136 PolarHBondContact NZ-OD1 2.78Å; K126-D136 IonicContact NZ-OD2 2.66Å; K126-D136 PolarHBondContact NZ-OD2 3.11Å; L131-D136 HydrophobicContact CD2-CB 3.97Å; I132-D136 PolarHBondContact N-OD2 3.41Å; I132-D136 PolarHBondContact O-N 3.21Å
137M97.7Very high97.6Very high1 Ų148.1 Ų48.11%0.00527%0.268CS..BIsolated β-bridgetrans-115.5133.6176.5-64.7171.170.600109.5L74 T96 L131 I132 V133 G134 C139 A141 L169L74-M137 HydrophobicContact CB-CE 4.35Å; L74-M137 HydrophobicContact CD1-CE 4.07Å; L74-M137 HydrophobicContact CD1-SD 4.13Å; L74-M137 HydrophobicContact CD2-CE 4.16Å; L74-M137 HydrophobicContact CD2-SD 4.47Å; L74-M137 HydrophobicContact CG-CE 4.42Å; T96-M137 HydrophobicContact CG2-CG 3.74Å; L131-M137 HydrophobicContact CD1-SD 4.33Å; I132-M137 PolarHBondContact O-N 2.89Å; V133-M137 CarbonylContact C-O 3.55Å; V133-M137 HydrophobicContact CG2-CB 4.47Å; V133-M137 HydrophobicContact CG2-SD 4.45Å; G134-M137 PolarHBondContact N-O 2.91Å; M137-C139 VanDerWaalsContact C-N 3.28Å; M137-C139 PolarHBondContact O-N 3.36Å; M137-A141 HydrophobicContact CE-CB 3.9Å; M137-L169 HydrophobicContact CE-CB 4.39Å; M137-L169 HydrophobicContact SD-CB 4.22Å; M137-L169 HydrophobicContact SD-CD2 3.96Å; M137-L169 HydrophobicContact SD-CG 4.49Å
138P95.7Very high97.5Very high88 Ų8841.5 Ų41.557%0.57125%0.245SC*.SBendtrans-66.1-32.7-179.525.4-33.1000112.8L94L94-P138 HydrophobicContact CD2-CG 3.46Å; L94-P138 VanDerWaalsContact CD2-CG 3.46Å
139C97.4Very high97.4Very high63 Ų6341.1 Ų41.143%0.42624%0.243SC..SBendtrans-152.8177.3175.556.80000109.4H72 M137H72-C139 PolarHBondContact CE1-O 3.42Å; H72-C139 PolarHBondContact ND1-O 3.36Å; M137-C139 VanDerWaalsContact C-N 3.28Å; M137-C139 PolarHBondContact O-N 3.36Å
140K98.3Very high97.3Very high85 Ų8539.6 Ų39.637%0.3723%0.232SC..  trans-67.5138.2172.3-75178.3153.5-143.70110.3V133 K167 H168 L169 L170 T171V133-K140 HydrophobicContact CG1-CG 4.42Å; V133-K140 HydrophobicContact CG2-CG 4.08Å; K140-K167 PolarHBondContact NZ-O 2.83Å; K140-H168 VanDerWaalsContact CE-O 3.24Å; K140-H168 WeakPolarHBondContact CE-O 3.41Å; K140-L169 CarbonylContact C-O 3.56Å; K140-L169 WeakPolarHBondContact CA-O 3.44Å; K140-L169 WeakPolarHBondContact CB-O 3.33Å; K140-L170 WeakPolarHBondContact CD-O 3.44Å; K140-L170 PolarHBondContact NZ-O 3.22Å; K140-T171 HydrophobicContact CB-CG2 3.95Å
141A98.6Very high97.2Very high0 Ų035.9 Ų35.90%021%0.213CC..EExtended strand (participates in β ladder)trans-76146.2177.700000111.4H72 L74 M137 L169 L170 T171H72-A141 WeakPolarHBondContact O-CA 3.49Å; H72-A141 WeakPolarHBondContact O-CB 3.23Å; L74-A141 HydrophobicContact CB-CB 3.64Å; M137-A141 HydrophobicContact CE-CB 3.9Å; A141-L169 PolarHBondContact N-O 3.11Å; A141-L170 HydrophobicContact CB-CD2 4.06Å; A141-L170 WeakPolarHBondContact O-CA 3.5Å; A141-T171 PolarHBondContact O-N 3.16Å
142N98.1Very high97.1Very high30 Ų3036.5 Ų36.516%0.1622%0.215CC..EExtended strand (participates in β ladder)trans-104.5-1.617560-0.6000112.9P70 H72 T171 A174 S175P70-N142 PolarHBondContact O-ND2 3.24Å; H72-N142 PolarHBondContact N-OD1 3.08Å; H72-N142 PolarHBondContact O-N 3.22Å; H72-N142 VanDerWaalsContact O-N 3.09Å; H72-N142 PolarHBondContact O-OD1 3.06Å; H72-N142 VanDerWaalsContact O-OD1 3.05Å; N142-T171 HydrophobicContact CB-CG2 4.44Å; N142-A174 CarbonylContact O-C 3.59Å; N142-A174 VanDerWaalsContact O-CA 3.23Å; N142-A174 WeakPolarHBondContact O-CA 3.47Å; N142-S175 PolarHBondContact O-N 3.42Å
143V98.6Very high97.1Very high1 Ų132 Ų321%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-133.2136.4167.9179.20000109.1T58 L62 V71 H72 V73 L74 V145 S175 I177T58-V143 HydrophobicContact CG2-CG2 4.39Å; L62-V143 HydrophobicContact CD1-CG2 3.32Å; V71-V143 HydrophobicContact CG1-CG2 3.93Å; H72-V143 PolarHBondContact O-N 3.18Å; V73-V143 CarbonylContact C-O 3.54Å; V73-V143 WeakPolarHBondContact CA-O 3.45Å; V73-V143 HydrophobicContact CB-CB 4.44Å; V73-V143 HydrophobicContact CG1-CB 4.45Å; V73-V143 HydrophobicContact CG1-CG1 4.17Å; V73-V143 HydrophobicContact CG2-CB 4Å; V73-V143 HydrophobicContact CG2-CG1 4.2Å; L74-V143 PolarHBondContact N-O 3.01Å; V143-V145 HydrophobicContact CG1-CG1 4.41Å; V143-S175 CarbonylContact C-O 3.53Å; V143-S175 VanDerWaalsContact CA-O 3.24Å; V143-S175 WeakPolarHBondContact CA-O 3.36Å; V143-I177 HydrophobicContact CG1-CD1 4.47Å
144L98.7Very high97.1Very high1 Ų129.3 Ų29.31%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-118128168.6168.465.4000109L74 I76 A146 Y162 A165 L170 S175 L176 I177L74-L144 HydrophobicContact CB-CD1 4.27Å; L74-L144 HydrophobicContact CD2-CD1 4.21Å; L74-L144 HydrophobicContact CG-CD1 4.11Å; L74-L144 WeakPolarHBondContact O-CA 3.42Å; L74-L144 WeakPolarHBondContact O-CD1 3.43Å; I76-L144 HydrophobicContact CB-CD1 4.4Å; I76-L144 HydrophobicContact CD1-CD1 3.58Å; I76-L144 HydrophobicContact CD1-CD2 4.45Å; I76-L144 HydrophobicContact CG1-CD1 3.67Å; L144-A146 HydrophobicContact CD1-CB 4.43Å; L144-Y162 HydrophobicContact CD2-CD1 3.55Å; L144-Y162 HydrophobicContact CD2-CE1 3.52Å; L144-Y162 HydrophobicContact CG-CE1 4.34Å; L144-A165 HydrophobicContact CD2-CB 4.25Å; L144-L170 HydrophobicContact CB-CD1 4.02Å; L144-L170 HydrophobicContact CB-CD2 3.91Å; L144-L170 HydrophobicContact CD2-CD1 3.89Å; L144-S175 PolarHBondContact N-O 3.4Å; L144-L176 HydrophobicContact CB-CG 4.11Å; L144-L176 HydrophobicContact CD2-CD2 4.13Å; L144-L176 HydrophobicContact CD2-CG 4.2Å; L144-L176 CarbonylContact O-C 2.87Å; L144-L176 WeakPolarHBondContact O-CA 3.45Å; L144-I177 PolarHBondContact O-N 3.33Å
145V98.6Very high97Very high1 Ų127.3 Ų27.31%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-112.5134.9164.9-61.20000107.8I55 V73 L74 D75 I76 L83 V143 I177I55-V145 HydrophobicContact CD1-CG1 3.98Å; I55-V145 HydrophobicContact CG1-CG1 3.81Å; V73-V145 HydrophobicContact CG1-CG1 4.13Å; V73-V145 HydrophobicContact CG1-CG2 3.86Å; L74-V145 PolarHBondContact O-N 2.95Å; D75-V145 WeakPolarHBondContact CA-O 3.06Å; D75-V145 HydrophobicContact CB-CG2 3.66Å; I76-V145 PolarHBondContact N-O 3.15Å; L83-V145 HydrophobicContact CB-CG2 4.07Å; L83-V145 HydrophobicContact CD1-CB 4.38Å; V143-V145 HydrophobicContact CG1-CG1 4.41Å; V145-I177 WeakPolarHBondContact CA-O 3.42Å; V145-I177 HydrophobicContact CG1-CB 4.17Å; V145-I177 HydrophobicContact CG1-CD1 4.08Å
146A97.1Very high96.8Very high1 Ų126.3 Ų26.31%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-154.2147.517400000111Y51 I76 L144 L148 I177 P178Y51-A146 PolarHBondContact OH-O 2.84Å; I76-A146 HydrophobicContact CB-CB 4.26Å; L144-A146 HydrophobicContact CD1-CB 4.43Å; A146-L148 HydrophobicContact CB-CD1 3.94Å; A146-L148 HydrophobicContact CB-CG 4.15Å; A146-I177 PolarHBondContact N-O 2.81Å; A146-I177 VanDerWaalsContact N-O 3.14Å; A146-P178 WeakPolarHBondContact O-CD 3.5Å
147E95.4Very high96.7Very high36 Ų3625.7 Ų25.717%0.16815%0.146CC..  trans-130.2100.7172.6-156.4-55.78800105M41 Y51 L83 F149 W330M41-E147 WeakPolarHBondContact CE-OE2 3.41Å; Y51-E147 HydrophobicContact CE2-CG 4.11Å; L83-E147 HydrophobicContact CD1-CB 4.2Å; E147-F149 PolarHBondContact OE1-N 3.38Å; E147-W330 HydrophobicContact CG-CH2 4.46Å; E147-W330 WeakPolarHBondContact OE1-CZ2 3.37Å
148L95.1Very high96.6Very high24 Ų2425.6 Ų25.613%0.12615%0.146CC..  trans-145.833.9-168.5-61170.8000109.7I76 A146 A158 T161I76-L148 HydrophobicContact CB-CD1 4.47Å; I76-L148 HydrophobicContact CG2-CD1 3.95Å; A146-L148 HydrophobicContact CB-CD1 3.94Å; A146-L148 HydrophobicContact CB-CG 4.15Å; L148-A158 HydrophobicContact CB-CB 4.46Å; L148-A158 WeakPolarHBondContact O-CB 3.36Å; L148-T161 HydrophobicContact CD1-CG2 3.53Å
149F96.2Very high96.7Very high0 Ų021.5 Ų21.50%012%0.119CC..  trans-116.2146.8-171.5-52.5-70.6000110.5E147 L153 A158 Y162 P178 F267 W299 L301 W330E147-F149 PolarHBondContact OE1-N 3.38Å; F149-L153 HydrophobicContact CB-CD1 4.46Å; F149-L153 HydrophobicContact CD1-CD1 3.53Å; F149-L153 HydrophobicContact CD1-CG 4.36Å; F149-L153 WeakPolarHBondContact CD1-O 3.4Å; F149-L153 HydrophobicContact CE1-CD1 4.06Å; F149-L153 HydrophobicContact CG-CD1 4.18Å; F149-A158 HydrophobicContact CD1-CB 4.35Å; F149-A158 HydrophobicContact CE1-CB 4.27Å; F149-Y162 HydrophobicContact CE1-CE2 4.15Å; F149-Y162 AromaticContact CZ-CE2 3.94Å; F149-Y162 HydrophobicContact CZ-CE2 3.94Å; F149-Y162 WeakPolarHBondContact CZ-OH 3.43Å; F149-P178 HydrophobicContact CE2-CG 3.35Å; F149-P178 HydrophobicContact CZ-CG 3.41Å; F149-P178 VanDerWaalsContact CZ-CG 3.41Å; F149-F267 HydrophobicContact CE1-CE1 4.37Å; F149-F267 AromaticContact CE1-CE2 3.79Å; F149-F267 HydrophobicContact CE1-CE2 3.79Å; F149-F267 AromaticContact CE1-CZ 3.61Å; F149-F267 HydrophobicContact CE1-CZ 3.61Å; F149-F267 HydrophobicContact CZ-CD2 4.5Å; F149-F267 AromaticContact CZ-CE2 3.87Å; F149-F267 HydrophobicContact CZ-CE2 3.87Å; F149-F267 HydrophobicContact CZ-CZ 4.17Å; F149-W299 HydrophobicContact CB-CH2 4.21Å; F149-W299 HydrophobicContact CB-CZ2 4.19Å; F149-L301 HydrophobicContact CD1-CD2 4.46Å; F149-L301 HydrophobicContact CD2-CD1 3.84Å; F149-L301 HydrophobicContact CD2-CD2 4.35Å; F149-L301 HydrophobicContact CE1-CD2 4.24Å; F149-L301 HydrophobicContact CE2-CD1 3.99Å; F149-L301 HydrophobicContact CE2-CD2 4.14Å; F149-L301 HydrophobicContact CG-CD1 4.47Å; F149-L301 HydrophobicContact CZ-CD2 4.06Å; F149-W330 HydrophobicContact CB-CZ2 4.07Å; F149-W330 PolarHBondContact O-NE1 3.13Å
150D95.3Very high96.7Very high30 Ų3023 Ų2316%0.1612%0.12CC..  trans-121.2-174.4174.567.4-26.5000111.5E152 L153 I154 G155 E156 W299D150-E152 PolarHBondContact O-N 3.22Å; D150-E152 PolarHBondContact OD1-N 3.39Å; D150-L153 WeakPolarHBondContact O-CA 3.18Å; D150-L153 PolarHBondContact O-N 3.42Å; D150-L153 WeakPolarHBondContact OD1-CA 3.41Å; D150-L153 PolarHBondContact OD1-N 3.14Å; D150-I154 PolarHBondContact OD1-N 3.11Å; D150-I154 VanDerWaalsContact OD1-N 3.17Å; D150-G155 PolarHBondContact OD1-N 3.5Å; D150-G155 VanDerWaalsContact OD2-CA 3.22Å; D150-G155 WeakPolarHBondContact OD2-CA 3.44Å; D150-G155 PolarHBondContact OD2-N 3.22Å; D150-E156 HydrophobicContact CB-CG 4.02Å; D150-W299 VanDerWaalsContact O-CZ2 3.25Å; D150-W299 WeakPolarHBondContact O-CZ2 3.34Å; D150-W299 PolarHBondContact O-NE1 3.16Å; D150-W299 VanDerWaalsContact O-NE1 3.14Å
151T96Very high96.7Very high13 Ų1320.1 Ų20.18%0.0811%0.109CC..THydrogen-bonded Turntrans-51.5-38.4173.1-68.30000112.4L153 D232 W299 M331 A333T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 2.9Å; T151-D232 HydrophobicContact CG2-CB 3.74Å; T151-W299 PolarHBondContact O-NE1 3.33Å; T151-W299 VanDerWaalsContact O-NE1 3.1Å; T151-M331 HydrophobicContact CG2-CB 4.45Å; T151-M331 WeakPolarHBondContact CG2-O 3.42Å; T151-M331 PolarHBondContact OG1-N 3.1Å; T151-M331 VanDerWaalsContact OG1-N 3.13Å; T151-A333 HydrophobicContact CG2-CB 4.01Å
152E95.9Very high96.7Very high23 Ų2320.2 Ų20.211%0.10711%0.109CC..THydrogen-bonded Turntrans-85.26.7176.7-60.7-16971.800114.1D150 I154 T230 Y335 M360D150-E152 PolarHBondContact O-N 3.22Å; D150-E152 PolarHBondContact OD1-N 3.39Å; E152-I154 PolarHBondContact O-N 3.26Å; E152-T230 HydrophobicContact CG-CG2 3.76Å; E152-T230 VanDerWaalsContact OE2-CG2 3.25Å; E152-T230 WeakPolarHBondContact OE2-CG2 3.47Å; E152-Y335 VanDerWaalsContact CD-OH 3.29Å; E152-Y335 WeakPolarHBondContact CG-OH 3.19Å; E152-Y335 PolarHBondContact OE1-OH 2.94Å; E152-M360 WeakPolarHBondContact O-CE 3.27Å
153L97.9Very high96.6Very high1 Ų124 Ų241%0.00512%0.122CC..SBendtrans66.2-42.7-172.2-179.270.5000115F149 D150 T151 A181 V183 F265 W299 L301 M360F149-L153 HydrophobicContact CB-CD1 4.46Å; F149-L153 HydrophobicContact CD1-CD1 3.53Å; F149-L153 HydrophobicContact CD1-CG 4.36Å; F149-L153 WeakPolarHBondContact CD1-O 3.4Å; F149-L153 HydrophobicContact CE1-CD1 4.06Å; F149-L153 HydrophobicContact CG-CD1 4.18Å; D150-L153 WeakPolarHBondContact O-CA 3.18Å; D150-L153 PolarHBondContact O-N 3.42Å; D150-L153 WeakPolarHBondContact OD1-CA 3.41Å; D150-L153 PolarHBondContact OD1-N 3.14Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 2.9Å; L153-A181 HydrophobicContact CD1-CB 3.77Å; L153-A181 HydrophobicContact CD2-CB 3.55Å; L153-A181 HydrophobicContact CG-CB 4.29Å; L153-V183 HydrophobicContact CD2-CG2 3.92Å; L153-F265 HydrophobicContact CD2-CD2 3.64Å; L153-F265 HydrophobicContact CD2-CE2 3.94Å; L153-F265 HydrophobicContact CD2-CG 4.37Å; L153-W299 HydrophobicContact CB-CD2 4.33Å; L153-W299 HydrophobicContact CB-CG 3.94Å; L153-W299 HydrophobicContact CD1-CD2 3.86Å; L153-W299 HydrophobicContact CD1-CE3 4.19Å; L153-W299 HydrophobicContact CD1-CG 4.1Å; L153-W299 HydrophobicContact CD2-CB 4.48Å; L153-W299 HydrophobicContact CG-CG 4.42Å; L153-L301 HydrophobicContact CD1-CD2 3.91Å; L153-M360 HydrophobicContact CB-CE 4.34Å
154I96.9Very high96.6Very high0 Ų025.9 Ų25.90%013%0.13CC..SBendtrans-112-2.3-168.565.8176.5000113.9D150 E152 E156 G157 L159 F265 H355 M360D150-I154 PolarHBondContact OD1-N 3.11Å; D150-I154 VanDerWaalsContact OD1-N 3.17Å; E152-I154 PolarHBondContact O-N 3.26Å; I154-E156 PolarHBondContact O-N 3.21Å; I154-E156 VanDerWaalsContact O-N 3.17Å; I154-G157 PolarHBondContact O-N 2.98Å; I154-G157 VanDerWaalsContact O-N 3.07Å; I154-L159 HydrophobicContact CB-CD1 4.29Å; I154-L159 HydrophobicContact CB-CG 4.2Å; I154-L159 HydrophobicContact CD1-CD1 4.23Å; I154-L159 HydrophobicContact CG2-CD1 4.02Å; I154-L159 HydrophobicContact CG2-CD2 3.99Å; I154-L159 HydrophobicContact CG2-CG 3.86Å; I154-F265 HydrophobicContact CG2-CE1 4.22Å; I154-F265 HydrophobicContact CG2-CZ 4.19Å; I154-H355 HydrophobicContact CD1-CB 4.09Å; I154-M360 HydrophobicContact CD1-CE 3.88Å; I154-M360 HydrophobicContact CD1-CG 4.03Å; I154-M360 HydrophobicContact CG1-CE 3.97Å; I154-M360 HydrophobicContact CG2-CE 4.17Å
155G94.9Very high96.6Very high27 Ų2725.9 Ų25.928%0.27813%0.13SC..THydrogen-bonded Turntrans-67.1-17.7-170.500000114.8D150 G157 L358D150-G155 PolarHBondContact OD1-N 3.5Å; D150-G155 VanDerWaalsContact OD2-CA 3.22Å; D150-G155 WeakPolarHBondContact OD2-CA 3.44Å; D150-G155 PolarHBondContact OD2-N 3.22Å; G155-G157 VanDerWaalsContact C-N 3.33Å; G155-L358 VanDerWaalsContact CA-O 3.29Å; G155-L358 WeakPolarHBondContact CA-O 3.41Å
156E93.1Very high96.6Very high105 Ų10526.4 Ų26.449%0.49113%0.134SC..THydrogen-bonded Turntrans-90.912.6175.2-63.4-178.3-170.900113.7D150 I154 A158D150-E156 HydrophobicContact CB-CG 4.02Å; I154-E156 PolarHBondContact O-N 3.21Å; I154-E156 VanDerWaalsContact O-N 3.17Å; E156-A158 VanDerWaalsContact C-N 3.35Å; E156-A158 PolarHBondContact O-N 3.04Å
157G95.4Very high96.6Very high9 Ų932.9 Ų32.99%0.09316%0.163CC..  trans74.525.3177.500000113.8I154 G155 L159 E160 T161I154-G157 PolarHBondContact O-N 2.98Å; I154-G157 VanDerWaalsContact O-N 3.07Å; G155-G157 VanDerWaalsContact C-N 3.33Å; G157-L159 PolarHBondContact O-N 3.18Å; G157-E160 PolarHBondContact O-N 3.22Å; G157-T161 PolarHBondContact O-N 3.29Å; G157-T161 PolarHBondContact O-OG1 3.16Å
158A96.4Very high96.7Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-50.9-44.7176.700000111.9L148 F149 E156 E160 T161 Y162L148-A158 HydrophobicContact CB-CB 4.46Å; L148-A158 WeakPolarHBondContact O-CB 3.36Å; F149-A158 HydrophobicContact CD1-CB 4.35Å; F149-A158 HydrophobicContact CE1-CB 4.27Å; E156-A158 VanDerWaalsContact C-N 3.35Å; E156-A158 PolarHBondContact O-N 3.04Å; A158-E160 PolarHBondContact O-N 3.43Å; A158-T161 PolarHBondContact O-N 3.01Å; A158-Y162 HydrophobicContact CB-CD2 4.26Å; A158-Y162 HydrophobicContact CB-CE2 4.33Å; A158-Y162 WeakPolarHBondContact O-CD2 2.95Å; A158-Y162 PolarHBondContact O-N 3Å
159L97.5Very high96.9Very high1 Ų134.1 Ų34.11%0.00517%0.167CC..Hα-helixtrans-61.1-44.8-175.1-58.8-176.2000112.7I154 G157 T161 R163 F265 F267 I274 L276I154-L159 HydrophobicContact CB-CD1 4.29Å; I154-L159 HydrophobicContact CB-CG 4.2Å; I154-L159 HydrophobicContact CD1-CD1 4.23Å; I154-L159 HydrophobicContact CG2-CD1 4.02Å; I154-L159 HydrophobicContact CG2-CD2 3.99Å; I154-L159 HydrophobicContact CG2-CG 3.86Å; G157-L159 PolarHBondContact O-N 3.18Å; L159-T161 VanDerWaalsContact C-N 3.35Å; L159-R163 WeakPolarHBondContact O-CB 3.34Å; L159-R163 PolarHBondContact O-N 2.94Å; L159-F265 HydrophobicContact CD1-CD1 4.49Å; L159-F265 HydrophobicContact CD1-CE1 3.98Å; L159-F265 HydrophobicContact CD2-CD1 3.63Å; L159-F265 HydrophobicContact CD2-CE1 3.94Å; L159-F267 HydrophobicContact CD2-CE1 4.17Å; L159-I274 HydrophobicContact CB-CG2 4.26Å; L159-I274 HydrophobicContact CD2-CG2 4.3Å; L159-I274 WeakPolarHBondContact O-CG2 3.11Å; L159-L276 HydrophobicContact CB-CD2 3.86Å
160E97.1Very high97Very high95 Ų9534.2 Ų34.244%0.44417%0.168SC..Hα-helixtrans-66.7-40.3177.9-68.9-175.5-177.200111.2G157 A158 R163 H164 L276 S357G157-E160 PolarHBondContact O-N 3.22Å; A158-E160 PolarHBondContact O-N 3.43Å; E160-R163 PolarHBondContact O-N 2.86Å; E160-H164 WeakPolarHBondContact O-CB 3.5Å; E160-H164 PolarHBondContact O-N 2.87Å; E160-L276 HydrophobicContact CG-CD1 4.12Å; E160-L276 HydrophobicContact CG-CD2 3.75Å; E160-S357 WeakPolarHBondContact OE1-CB 3.28Å; E160-S357 PolarHBondContact OE1-OG 3.49Å; E160-S357 VanDerWaalsContact OE1-OG 3.1Å
161T97.6Very high97.1Very high24 Ų2434.5 Ų34.515%0.14717%0.171CC..Hα-helixtrans-63.2-51.8178.7-62.30000112.2I76 L148 G157 A158 L159 R163 H164 A165I76-T161 HydrophobicContact CD1-CG2 4.01Å; I76-T161 HydrophobicContact CG2-CG2 3.72Å; L148-T161 HydrophobicContact CD1-CG2 3.53Å; G157-T161 PolarHBondContact O-N 3.29Å; G157-T161 PolarHBondContact O-OG1 3.16Å; A158-T161 PolarHBondContact O-N 3.01Å; L159-T161 VanDerWaalsContact C-N 3.35Å; T161-R163 VanDerWaalsContact C-N 3.32Å; T161-R163 PolarHBondContact O-N 2.98Å; T161-H164 PolarHBondContact O-N 2.93Å; T161-A165 WeakPolarHBondContact O-CB 3.02Å; T161-A165 PolarHBondContact O-N 3.07Å
162Y98Very high97.2Very high2 Ų239.2 Ų39.21%0.00821%0.205CC..Hα-helixtrans-63-38.9176.6-80.1-76.2000111.7L144 F149 A158 A165 A166 L176 F267L144-Y162 HydrophobicContact CD2-CD1 3.55Å; L144-Y162 HydrophobicContact CD2-CE1 3.52Å; L144-Y162 HydrophobicContact CG-CE1 4.34Å; F149-Y162 HydrophobicContact CE1-CE2 4.15Å; F149-Y162 AromaticContact CZ-CE2 3.94Å; F149-Y162 HydrophobicContact CZ-CE2 3.94Å; F149-Y162 WeakPolarHBondContact CZ-OH 3.43Å; A158-Y162 HydrophobicContact CB-CD2 4.26Å; A158-Y162 HydrophobicContact CB-CE2 4.33Å; A158-Y162 WeakPolarHBondContact O-CD2 2.95Å; A158-Y162 PolarHBondContact O-N 3Å; Y162-A165 PolarHBondContact O-N 3.38Å; Y162-A166 WeakPolarHBondContact O-CB 3.46Å; Y162-A166 PolarHBondContact O-N 2.99Å; Y162-L176 HydrophobicContact CD1-CD2 3.76Å; Y162-L176 HydrophobicContact CE1-CD2 3.88Å; Y162-F267 HydrophobicContact CD1-CB 3.63Å; Y162-F267 HydrophobicContact CD1-CG 4.27Å; Y162-F267 HydrophobicContact CD2-CB 4.28Å; Y162-F267 AromaticContact CD2-CD1 3.79Å; Y162-F267 HydrophobicContact CD2-CD1 3.79Å; Y162-F267 HydrophobicContact CD2-CE1 4.34Å; Y162-F267 HydrophobicContact CD2-CG 4.07Å; Y162-F267 HydrophobicContact CE1-CB 3.85Å; Y162-F267 HydrophobicContact CE1-CG 4.29Å; Y162-F267 HydrophobicContact CE2-CD1 4.16Å; Y162-F267 HydrophobicContact CE2-CD2 4.45Å; Y162-F267 HydrophobicContact CE2-CG 4.14Å; Y162-F267 HydrophobicContact CG-CB 3.86Å; Y162-F267 HydrophobicContact CG-CD1 4.08Å; Y162-F267 HydrophobicContact CG-CG 4.15Å
163R97.8Very high97.1Very high111 Ų11143.1 Ų43.142%0.41923%0.226SC..Hα-helixtrans-63.9-42.9176.6-163.8177.390.5162.53.2112.4L159 E160 T161 K167 A271 I274 L276L159-R163 WeakPolarHBondContact O-CB 3.34Å; L159-R163 PolarHBondContact O-N 2.94Å; E160-R163 PolarHBondContact O-N 2.86Å; T161-R163 VanDerWaalsContact C-N 3.32Å; T161-R163 PolarHBondContact O-N 2.98Å; R163-K167 WeakPolarHBondContact O-CB 3.46Å; R163-K167 PolarHBondContact O-N 3.28Å; R163-A271 HydrophobicContact CG-CB 3.84Å; R163-I274 HydrophobicContact CB-CB 4.2Å; R163-I274 HydrophobicContact CB-CD1 4.31Å; R163-I274 HydrophobicContact CB-CG2 4.14Å; R163-I274 HydrophobicContact CG-CB 4.3Å; R163-L276 VanDerWaalsContact CZ-CD1 3.44Å
164H98.1Very high97.1Very high40 Ų4043.7 Ų43.719%0.18523%0.231CC..Hα-helixtrans-62.7-49.2174.6178.7-88.6000111.1S128 T129 E160 T161 A166 K167 H168S128-H164 PolarHBondContact O-CE1 3.46Å; T129-H164 VanDerWaalsContact CA-CE1 3.47Å; T129-H164 WeakPolarHBondContact CA-CE1 3.36Å; T129-H164 HydrophobicContact CG2-CB 4.17Å; T129-H164 PolarHBondContact O-NE2 2.94Å; E160-H164 WeakPolarHBondContact O-CB 3.5Å; E160-H164 PolarHBondContact O-N 2.87Å; T161-H164 PolarHBondContact O-N 2.93Å; H164-A166 PolarHBondContact O-N 3.45Å; H164-K167 PolarHBondContact O-N 3.31Å; H164-K167 VanDerWaalsContact O-N 3.14Å; H164-H168 AromaticContact CD2-CD2 3.44Å; H164-H168 PolarHBondContact CD2-CD2 3.07Å; H164-H168 VanDerWaalsContact CD2-CD2 3.44Å; H164-H168 AromaticContact NE2-CD2 3.44Å; H164-H168 PolarHBondContact NE2-CD2 3.43Å; H164-H168 AromaticContact NE2-CG 3.8Å; H164-H168 PolarHBondContact O-N 2.75Å
165A98.4Very high97.2Very high0 Ų044.2 Ų44.20%024%0.235CC..Hα-helixtrans-58.3-48.5179.800000111.8I76 L144 T161 Y162 K167 H168 L169 L170I76-A165 HydrophobicContact CD1-CB 3.98Å; L144-A165 HydrophobicContact CD2-CB 4.25Å; T161-A165 WeakPolarHBondContact O-CB 3.02Å; T161-A165 PolarHBondContact O-N 3.07Å; Y162-A165 PolarHBondContact O-N 3.38Å; A165-K167 PolarHBondContact O-N 2.86Å; A165-H168 PolarHBondContact O-N 3.05Å; A165-L169 HydrophobicContact CB-CD1 4.37Å; A165-L169 WeakPolarHBondContact O-CA 3.45Å; A165-L169 PolarHBondContact O-N 2.81Å; A165-L170 HydrophobicContact CB-CD1 4.16Å; A165-L170 HydrophobicContact CB-CG 4.18Å; A165-L170 WeakPolarHBondContact O-CG 3.33Å; A165-L170 PolarHBondContact O-N 2.85Å
166A98.1Very high97.3Very high12 Ų1243.1 Ų43.110%0.09922%0.222CC..Hα-helixtrans-57.9-33.9177.800000113.1Y162 H164 P269 A271Y162-A166 WeakPolarHBondContact O-CB 3.46Å; Y162-A166 PolarHBondContact O-N 2.99Å; H164-A166 PolarHBondContact O-N 3.45Å; A166-P269 HydrophobicContact CB-CB 4.36Å; A166-P269 HydrophobicContact CB-CG 4.08Å; A166-A271 HydrophobicContact CB-CB 4.1Å
167K97.6Very high97.6Very high138 Ų13838.1 Ų38.160%0.620%0.199SC*.Hα-helixtrans-80.6-45.3179.5-172.8173.3171.7-173.90112.4K140 R163 H164 A165 A271K140-K167 PolarHBondContact NZ-O 2.83Å; R163-K167 WeakPolarHBondContact O-CB 3.46Å; R163-K167 PolarHBondContact O-N 3.28Å; H164-K167 PolarHBondContact O-N 3.31Å; H164-K167 VanDerWaalsContact O-N 3.14Å; A165-K167 PolarHBondContact O-N 2.86Å; K167-A271 HydrophobicContact CB-CB 4.2Å
168H98.1Very high97.7Very high84 Ų8437.7 Ų37.739%0.38920%0.195SC..Hα-helixtrans-110.9-31.4-163.8-64.7-72.8000114.6K140 H164 A165K140-H168 VanDerWaalsContact CE-O 3.24Å; K140-H168 WeakPolarHBondContact CE-O 3.41Å; H164-H168 AromaticContact CD2-CD2 3.44Å; H164-H168 PolarHBondContact CD2-CD2 3.07Å; H164-H168 VanDerWaalsContact CD2-CD2 3.44Å; H164-H168 AromaticContact NE2-CD2 3.44Å; H164-H168 PolarHBondContact NE2-CD2 3.43Å; H164-H168 AromaticContact NE2-CG 3.8Å; H164-H168 PolarHBondContact O-N 2.75Å; A165-H168 PolarHBondContact O-N 3.05Å
169L98.6Very high97.7Very high1 Ų138.5 Ų38.51%0.00520%0.2CC..THydrogen-bonded Turntrans-113.5-22.7-165.4-51-179.9000113.8L74 S128 L131 V133 M137 K140 A141 A165L74-L169 HydrophobicContact CD2-CB 3.81Å; L74-L169 HydrophobicContact CD2-CD1 3.79Å; L74-L169 HydrophobicContact CD2-CG 4.47Å; S128-L169 WeakPolarHBondContact O-CD1 3.26Å; L131-L169 HydrophobicContact CB-CD1 4.37Å; L131-L169 HydrophobicContact CB-CD2 3.96Å; L131-L169 HydrophobicContact CD1-CD1 4.21Å; V133-L169 HydrophobicContact CG2-CD2 4.3Å; M137-L169 HydrophobicContact CE-CB 4.39Å; M137-L169 HydrophobicContact SD-CB 4.22Å; M137-L169 HydrophobicContact SD-CD2 3.96Å; M137-L169 HydrophobicContact SD-CG 4.49Å; K140-L169 CarbonylContact C-O 3.56Å; K140-L169 WeakPolarHBondContact CA-O 3.44Å; K140-L169 WeakPolarHBondContact CB-O 3.33Å; A141-L169 PolarHBondContact N-O 3.11Å; A165-L169 HydrophobicContact CB-CD1 4.37Å; A165-L169 WeakPolarHBondContact O-CA 3.45Å; A165-L169 PolarHBondContact O-N 2.81Å
170L98.5Very high97.8Very high2 Ų238.5 Ų38.51%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-105.8151.4-174.7-56.2-178.3000113L74 K140 A141 L144 A165 A174 L176L74-L170 HydrophobicContact CD2-CD2 4.17Å; K140-L170 WeakPolarHBondContact CD-O 3.44Å; K140-L170 PolarHBondContact NZ-O 3.22Å; A141-L170 HydrophobicContact CB-CD2 4.06Å; A141-L170 WeakPolarHBondContact O-CA 3.5Å; L144-L170 HydrophobicContact CB-CD1 4.02Å; L144-L170 HydrophobicContact CB-CD2 3.91Å; L144-L170 HydrophobicContact CD2-CD1 3.89Å; A165-L170 HydrophobicContact CB-CD1 4.16Å; A165-L170 HydrophobicContact CB-CG 4.18Å; A165-L170 WeakPolarHBondContact O-CG 3.33Å; A165-L170 PolarHBondContact O-N 2.85Å; L170-A174 HydrophobicContact CB-CB 3.91Å; L170-A174 HydrophobicContact CD1-CB 4.29Å; L170-A174 HydrophobicContact CG-CB 4.47Å; L170-L176 HydrophobicContact CD1-CD1 4.22Å
171T98Very high97.8Very high37 Ų3734 Ų3423%0.22718%0.179CC..EExtended strand (participates in β ladder)trans-68.8156.4163.465.50000110.2K140 A141 N142 D173 A174K140-T171 HydrophobicContact CB-CG2 3.95Å; A141-T171 PolarHBondContact O-N 3.16Å; N142-T171 HydrophobicContact CB-CG2 4.44Å; T171-D173 WeakPolarHBondContact CB-OD1 3.24Å; T171-D173 PolarHBondContact O-N 2.89Å; T171-D173 PolarHBondContact OG1-OD1 3.3Å; T171-A174 WeakPolarHBondContact O-CB 3.43Å; T171-A174 PolarHBondContact O-N 2.87Å; T171-A174 PolarHBondContact OG1-N 3.35Å
172S96.6Very high97.8Very high112 Ų11234.2 Ų34.278%0.78318%0.179SC*.EExtended strand (participates in β ladder)trans-66-19.4-177.549.90000114.1
173D95.5Very high97.9Very high105 Ų10534.2 Ų34.256%0.56118%0.179SC*.EExtended strand (participates in β ladder)trans-105.512.4-179.664.3-28.7000113T171 S175T171-D173 WeakPolarHBondContact CB-OD1 3.24Å; T171-D173 PolarHBondContact O-N 2.89Å; T171-D173 PolarHBondContact OG1-OD1 3.3Å; D173-S175 PolarHBondContact O-N 3.46Å
174A97.5Very high97.9Very high12 Ų1231.7 Ų31.710%0.09917%0.17CC..EExtended strand (participates in β ladder)trans-58.8138.7-175.400000112.6N142 L170 T171 L176N142-A174 CarbonylContact O-C 3.59Å; N142-A174 VanDerWaalsContact O-CA 3.23Å; N142-A174 WeakPolarHBondContact O-CA 3.47Å; L170-A174 HydrophobicContact CB-CB 3.91Å; L170-A174 HydrophobicContact CD1-CB 4.29Å; L170-A174 HydrophobicContact CG-CB 4.47Å; T171-A174 WeakPolarHBondContact O-CB 3.43Å; T171-A174 PolarHBondContact O-N 2.87Å; T171-A174 PolarHBondContact OG1-N 3.35Å; A174-L176 HydrophobicContact CB-CD1 4.29Å; A174-L176 WeakPolarHBondContact O-CD1 3.41Å
175S97.5Very high97.9Very high12 Ų1229.8 Ų29.88%0.08416%0.161CC..EExtended strand (participates in β ladder)trans-89.6129.6172.1-65.50000110.3R61 N142 V143 L144 D173R61-S175 PolarHBondContact NH2-OG 3.15Å; R61-S175 VanDerWaalsContact NH2-OG 3.11Å; N142-S175 PolarHBondContact O-N 3.42Å; V143-S175 CarbonylContact C-O 3.53Å; V143-S175 VanDerWaalsContact CA-O 3.24Å; V143-S175 WeakPolarHBondContact CA-O 3.36Å; L144-S175 PolarHBondContact N-O 3.4Å; D173-S175 PolarHBondContact O-N 3.46Å
176L98Very high97.9Very high4 Ų430 Ų302%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-109.7144.5-176.5-79.871.9000111.4L144 Y162 L170 A174 P178 C179 F267L144-L176 HydrophobicContact CB-CG 4.11Å; L144-L176 HydrophobicContact CD2-CD2 4.13Å; L144-L176 HydrophobicContact CD2-CG 4.2Å; L144-L176 CarbonylContact O-C 2.87Å; L144-L176 WeakPolarHBondContact O-CA 3.45Å; Y162-L176 HydrophobicContact CD1-CD2 3.76Å; Y162-L176 HydrophobicContact CE1-CD2 3.88Å; L170-L176 HydrophobicContact CD1-CD1 4.22Å; A174-L176 HydrophobicContact CB-CD1 4.29Å; A174-L176 WeakPolarHBondContact O-CD1 3.41Å; L176-P178 CarbonylContact O-C 3.56Å; L176-C179 HydrophobicContact CB-CB 4.28Å; L176-C179 WeakPolarHBondContact O-CB 3.49Å; L176-C179 PolarHBondContact O-N 3.25Å; L176-F267 HydrophobicContact CD2-CB 3.77Å; L176-F267 WeakPolarHBondContact CD2-O 3.35Å
177I98.6Very high97.9Very high0 Ų029.4 Ų29.40%016%0.157CC..EExtended strand (participates in β ladder)trans-135.1108.4176.7-55.7164.9000109Y51 A54 I55 T58 V143 L144 V145 A146 M303Y51-I177 HydrophobicContact CD1-CG2 4.08Å; Y51-I177 HydrophobicContact CE1-CG2 4.32Å; A54-I177 HydrophobicContact CB-CG2 3.79Å; I55-I177 HydrophobicContact CB-CD1 4.3Å; I55-I177 HydrophobicContact CG1-CD1 3.77Å; I55-I177 HydrophobicContact CG1-CG2 4.43Å; T58-I177 HydrophobicContact CG2-CD1 4.23Å; V143-I177 HydrophobicContact CG1-CD1 4.47Å; L144-I177 PolarHBondContact O-N 3.33Å; V145-I177 WeakPolarHBondContact CA-O 3.42Å; V145-I177 HydrophobicContact CG1-CB 4.17Å; V145-I177 HydrophobicContact CG1-CD1 4.08Å; A146-I177 PolarHBondContact N-O 2.81Å; A146-I177 VanDerWaalsContact N-O 3.14Å; I177-M303 WeakPolarHBondContact CA-O 3.37Å; I177-M303 HydrophobicContact CG2-CE 4.1Å
178P98.1Very high97.9Very high0 Ų022.9 Ų22.90%013%0.128CC..SBendcis-70.8155.7-7.532.3-36.5000112.3Y51 A146 F149 L176 L301 Q302 M303Y51-P178 WeakPolarHBondContact OH-CD 3.48Å; A146-P178 WeakPolarHBondContact O-CD 3.5Å; F149-P178 HydrophobicContact CE2-CG 3.35Å; F149-P178 HydrophobicContact CZ-CG 3.41Å; F149-P178 VanDerWaalsContact CZ-CG 3.41Å; L176-P178 CarbonylContact O-C 3.56Å; P178-L301 HydrophobicContact CB-CB 4.07Å; P178-L301 HydrophobicContact CB-CD2 4.33Å; P178-L301 HydrophobicContact CG-CD1 4.26Å; P178-L301 HydrophobicContact CG-CD2 4.05Å; P178-L301 HydrophobicContact CG-CG 4.49Å; P178-Q302 WeakPolarHBondContact CB-O 3.46Å; P178-M303 WeakPolarHBondContact CA-O 3.5Å; P178-M303 HydrophobicContact CB-SD 4.27Å
179C97.2Very high97.8Very high16 Ų1620.1 Ų20.111%0.10812%0.116CC..  trans-92.1-24.9-178.966.30000114L176 F267 Q302 E304 P305L176-C179 HydrophobicContact CB-CB 4.28Å; L176-C179 WeakPolarHBondContact O-CB 3.49Å; L176-C179 PolarHBondContact O-N 3.25Å; C179-F267 PolarHBondContact O-N 3.29Å; C179-Q302 PolarHBondContact N-O 3.17Å; C179-Q302 PolarHBondContact SG-O 3.49Å; C179-Q302 VanDerWaalsContact SG-O 3.4Å; C179-E304 VanDerWaalsContact SG-C 3.51Å; C179-P305 HydrophobicContact CB-CG 4.31Å
180A97.8Very high97.6Very high1 Ų120 Ų201%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-158.1162.7-178.400000111.4R264 F265 Q302A180-R264 VanDerWaalsContact CB-NH2 3.29Å; A180-F265 CarbonylContact C-O 3.43Å; A180-F265 WeakPolarHBondContact CA-O 3.49Å; A180-F265 WeakPolarHBondContact CB-O 3.47Å; A180-Q302 HydrophobicContact CB-CB 4.2Å; A180-Q302 PolarHBondContact N-O 3.25Å; A180-Q302 PolarHBondContact O-N 3.29Å
181A98.3Very high97.4Very high1 Ų123.1 Ų23.11%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-132.2149.8173.100000111L153 R264 F265 F267 S300 L301L153-A181 HydrophobicContact CD1-CB 3.77Å; L153-A181 HydrophobicContact CD2-CB 3.55Å; L153-A181 HydrophobicContact CG-CB 4.29Å; A181-R264 CarbonylContact O-C 3.41Å; A181-R264 WeakPolarHBondContact O-CA 3.47Å; A181-F265 HydrophobicContact CB-CB 4.35Å; A181-F265 PolarHBondContact N-O 2.93Å; A181-F265 PolarHBondContact O-N 3.48Å; A181-F267 HydrophobicContact CB-CE2 3.88Å; A181-F267 HydrophobicContact CB-CZ 3.82Å; A181-S300 CarbonylContact C-O 3.56Å; A181-S300 WeakPolarHBondContact CA-O 3.21Å; A181-L301 HydrophobicContact CB-CD2 3.74Å
182Q98.3Very high97.3Very high29 Ų2921.4 Ų21.414%0.13612%0.119CC..EExtended strand (participates in β ladder)trans-122.3121173.8-179.961.162.200109.8Y184 K263 W299 S300Q182-Y184 HydrophobicContact CB-CE2 3.92Å; Q182-Y184 HydrophobicContact CG-CD1 4.44Å; Q182-Y184 HydrophobicContact CG-CD2 4.31Å; Q182-Y184 HydrophobicContact CG-CE1 3.81Å; Q182-Y184 HydrophobicContact CG-CE2 3.63Å; Q182-Y184 WeakPolarHBondContact CG-OH 3.47Å; Q182-Y184 WeakPolarHBondContact O-CD2 3.39Å; Q182-Y184 VanDerWaalsContact O-CE2 3.28Å; Q182-Y184 WeakPolarHBondContact O-CE2 3.47Å; Q182-K263 PolarHBondContact NE2-O 3.44Å; Q182-K263 VanDerWaalsContact NE2-O 3.1Å; Q182-W299 CarbonylContact O-C 3.51Å; Q182-W299 WeakPolarHBondContact O-CA 3.47Å; Q182-W299 WeakPolarHBondContact O-CB 3.46Å; Q182-S300 PolarHBondContact N-O 3.48Å; Q182-S300 PolarHBondContact O-N 2.72Å
183V98.6Very high97.3Very high1 Ų116.1 Ų16.11%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-87.5137172.2-179.90000109.7L153 V262 K263 F265 V297 W299 M360L153-V183 HydrophobicContact CD2-CG2 3.92Å; V183-V262 HydrophobicContact CB-CB 4.2Å; V183-V262 HydrophobicContact CG1-CB 4Å; V183-V262 HydrophobicContact CG1-CG1 4.35Å; V183-V262 HydrophobicContact CG1-CG2 4.27Å; V183-V262 PolarHBondContact O-N 3.01Å; V183-K263 PolarHBondContact N-O 3.03Å; V183-F265 HydrophobicContact CG2-CD2 4.2Å; V183-F265 HydrophobicContact CG2-CE2 3.77Å; V183-V297 HydrophobicContact CG1-CG1 3.66Å; V183-W299 HydrophobicContact CG2-CB 4.34Å; V183-M360 HydrophobicContact CG1-SD 4.45Å; V183-M360 HydrophobicContact CG2-CE 3.96Å; V183-M360 HydrophobicContact CG2-SD 4.4Å
184Y98.6Very high97.3Very high59 Ų5912.4 Ų12.423%0.2316%0.06CC..EExtended strand (participates in β ladder)trans-120.9152.3176.3-56.7-90.7000110.2Q182 R260 V297 W298 S300Q182-Y184 HydrophobicContact CB-CE2 3.92Å; Q182-Y184 HydrophobicContact CG-CD1 4.44Å; Q182-Y184 HydrophobicContact CG-CD2 4.31Å; Q182-Y184 HydrophobicContact CG-CE1 3.81Å; Q182-Y184 HydrophobicContact CG-CE2 3.63Å; Q182-Y184 WeakPolarHBondContact CG-OH 3.47Å; Q182-Y184 WeakPolarHBondContact O-CD2 3.39Å; Q182-Y184 VanDerWaalsContact O-CE2 3.28Å; Q182-Y184 WeakPolarHBondContact O-CE2 3.47Å; Y184-R260 CarbonylContact C-O 3.58Å; Y184-R260 VanDerWaalsContact CA-O 3.27Å; Y184-R260 WeakPolarHBondContact CA-O 3.44Å; Y184-V297 WeakPolarHBondContact O-CA 3.24Å; Y184-V297 WeakPolarHBondContact O-CG1 3.16Å; Y184-W298 AromaticContact CD2-CD1 3.9Å; Y184-W298 AromaticContact CD2-NE1 3.63Å; Y184-W298 HydrophobicContact CG-CZ2 4.49Å; Y184-W298 AromaticContact CG-NE1 3.82Å; Y184-W298 PolarHBondContact N-O 2.93Å; Y184-W298 PolarHBondContact O-N 2.89Å; Y184-W298 VanDerWaalsContact O-N 3.15Å; Y184-S300 WeakPolarHBondContact CE2-OG 3.34Å; Y184-S300 PolarHBondContact OH-OG 2.84Å
185L98.3Very high97.2Very high0 Ų011.9 Ų11.90%06%0.056CC..EExtended strand (participates in β ladder)trans-137141177173.8153.3000110.4V187 P259 R260 V262 F295 V296 V297 V351 F362L185-V187 HydrophobicContact CD2-CG2 3.68Å; L185-P259 CarbonylContact O-C 3.54Å; L185-P259 WeakPolarHBondContact O-CA 3.38Å; L185-R260 PolarHBondContact N-O 3.29Å; L185-R260 PolarHBondContact O-N 2.95Å; L185-V262 HydrophobicContact CB-CG2 3.37Å; L185-V262 HydrophobicContact CD1-CG2 4.41Å; L185-F295 HydrophobicContact CD1-CB 3.88Å; L185-F295 HydrophobicContact CD1-CD1 3.8Å; L185-F295 HydrophobicContact CD1-CG 3.97Å; L185-F295 HydrophobicContact CD2-CD1 4.03Å; L185-F295 HydrophobicContact CG-CB 4.18Å; L185-F295 HydrophobicContact CG-CD1 4.19Å; L185-V296 CarbonylContact C-O 3.46Å; L185-V296 WeakPolarHBondContact CA-O 3.19Å; L185-V297 HydrophobicContact CB-CG2 4.26Å; L185-V297 HydrophobicContact CD1-CG2 4.06Å; L185-V297 HydrophobicContact CG-CG2 4.21Å; L185-V351 HydrophobicContact CD1-CG1 4.26Å; L185-F362 HydrophobicContact CD1-CD1 3.33Å; L185-F362 HydrophobicContact CD1-CE1 3.53Å; L185-F362 HydrophobicContact CD1-CG 4.11Å; L185-F362 HydrophobicContact CD1-CZ 4.47Å
186Q97.9Very high97.1Very high4 Ų411.4 Ų11.42%0.0195%0.052CC..EExtended strand (participates in β ladder)trans-120.5134.2165.3-179.258.6-8300109.3V188 C254 L256 F295 V296 W298 W318Q186-V188 HydrophobicContact CB-CG1 4.44Å; Q186-V188 HydrophobicContact CG-CG1 3.75Å; Q186-C254 HydrophobicContact CG-CB 4.11Å; Q186-C254 VanDerWaalsContact CG-SG 3.59Å; Q186-L256 PolarHBondContact NE2-O 3.28Å; Q186-L256 VanDerWaalsContact NE2-O 3.09Å; Q186-L256 VanDerWaalsContact OE1-CG 3.31Å; Q186-F295 WeakPolarHBondContact O-CA 3.46Å; Q186-V296 PolarHBondContact N-O 3.22Å; Q186-V296 PolarHBondContact O-N 2.82Å; Q186-W298 HydrophobicContact CB-CH2 4.02Å; Q186-W298 HydrophobicContact CB-CZ3 3.91Å; Q186-W318 HydrophobicContact CB-CH2 4.08Å; Q186-W318 HydrophobicContact CG-CH2 4Å; Q186-W318 HydrophobicContact CG-CZ3 4.27Å
187V98Very high97Very high0 Ų011.3 Ų11.30%05%0.051CC..EExtended strand (participates in β ladder)trans-89124.9172.7-175.40000107.3L185 L255 L256 A292 F295 L343 F349 V351L185-V187 HydrophobicContact CD2-CG2 3.68Å; V187-L255 HydrophobicContact CB-CB 4.48Å; V187-L255 HydrophobicContact CG1-CB 4.42Å; V187-L255 HydrophobicContact CG1-CD1 4.21Å; V187-L255 PolarHBondContact O-N 3.25Å; V187-L256 HydrophobicContact CB-CD1 4.35Å; V187-L256 HydrophobicContact CB-CG 4.1Å; V187-L256 HydrophobicContact CG2-CD1 3.87Å; V187-L256 HydrophobicContact CG2-CD2 4.45Å; V187-L256 HydrophobicContact CG2-CG 4.12Å; V187-A292 HydrophobicContact CG1-CB 3.53Å; V187-F295 HydrophobicContact CG1-CE1 4.49Å; V187-F295 HydrophobicContact CG2-CD1 3.93Å; V187-F295 HydrophobicContact CG2-CE1 3.95Å; V187-L343 HydrophobicContact CG1-CD1 4.28Å; V187-F349 HydrophobicContact CG1-CZ 4.49Å; V187-F349 HydrophobicContact CG2-CE2 4.2Å; V187-F349 HydrophobicContact CG2-CZ 4.02Å; V187-V351 HydrophobicContact CG2-CG2 4.41Å
188V96.7Very high96.7Very high0 Ų012.1 Ų12.10%05%0.054CC..EExtended strand (participates in β ladder)trans-124.5145.8-173.5-59.30000112.9Q186 L193 L252 R253 H293 A294 V296Q186-V188 HydrophobicContact CB-CG1 4.44Å; Q186-V188 HydrophobicContact CG-CG1 3.75Å; V188-L193 HydrophobicContact CG2-CD1 3.96Å; V188-L252 HydrophobicContact CB-CB 4.46Å; V188-L252 HydrophobicContact CG1-CD1 4.17Å; V188-R253 CarbonylContact C-O 3.42Å; V188-R253 VanDerWaalsContact CA-O 3.27Å; V188-R253 WeakPolarHBondContact CA-O 3.39Å; V188-H293 PolarHBondContact O-N 2.88Å; V188-A294 HydrophobicContact CG2-CB 3.99Å; V188-A294 WeakPolarHBondContact CG2-O 3.12Å; V188-A294 PolarHBondContact N-O 3.27Å; V188-A294 PolarHBondContact O-N 3.03Å; V188-V296 HydrophobicContact CG1-CG2 3.96Å; V188-V296 HydrophobicContact CG2-CG2 3.9Å
189E96.2Very high96.5Very high26 Ų2612.3 Ų12.312%0.1216%0.056CC..EExtended strand (participates in β ladder)trans-91.5117.8160.6174.9159.4-136.200109.1V246 L252 R253 L255 T291 H293E189-V246 HydrophobicContact CG-CG2 4.23Å; E189-L252 CarbonylContact O-C 3.41Å; E189-L252 VanDerWaalsContact O-CA 3.3Å; E189-L252 WeakPolarHBondContact O-CA 3.44Å; E189-R253 HydrophobicContact CB-CB 4.5Å; E189-R253 PolarHBondContact N-O 3.32Å; E189-R253 PolarHBondContact O-N 2.93Å; E189-R253 IonicContact OE2-CZ 3.36Å; E189-R253 IonicContact OE2-NE 2.63Å; E189-R253 IonicContact OE2-NH2 3.06Å; E189-R253 PolarHBondContact OE2-NH2 3.14Å; E189-L255 HydrophobicContact CB-CD1 4.42Å; E189-L255 HydrophobicContact CB-CD2 4.07Å; E189-L255 HydrophobicContact CB-CG 4.39Å; E189-T291 VanDerWaalsContact CA-O 3.22Å; E189-T291 WeakPolarHBondContact CA-O 3.19Å; E189-T291 VanDerWaalsContact CB-O 3.24Å; E189-T291 WeakPolarHBondContact CB-O 3.27Å; E189-T291 PolarHBondContact OE1-N 2.98Å; E189-H293 IonicContact OE1-CE1 3.97Å
190S95.6Very high96.3Very high0 Ų013.2 Ų13.20%06%0.058CC..  trans-153.8111.3174.1-179.80000110.9F192 L193 W194 Q251 H293S190-F192 PolarHBondContact O-N 3.14Å; S190-F192 PolarHBondContact OG-N 3.4Å; S190-L193 PolarHBondContact O-N 2.94Å; S190-L193 PolarHBondContact OG-N 2.84Å; S190-L193 VanDerWaalsContact OG-N 3.14Å; S190-W194 WeakPolarHBondContact O-CB 3.45Å; S190-W194 PolarHBondContact O-N 3.11Å; S190-Q251 WeakPolarHBondContact CB-O 3.39Å; S190-Q251 PolarHBondContact OG-O 3.48Å; S190-H293 PolarHBondContact N-ND1 3.45Å
191Q94.1Very high95.9Very high66 Ų6617.2 Ų17.231%0.3088%0.084SC..Hα-helixtrans-63.1-30.9171.2-68.1-61.4-24.300111.5S195 F200 H293Q191-S195 VanDerWaalsContact O-CB 3.3Å; Q191-S195 WeakPolarHBondContact O-CB 3.26Å; Q191-S195 PolarHBondContact O-N 2.92Å; Q191-F200 WeakPolarHBondContact O-CZ 3.26Å; Q191-H293 PolarHBondContact NE2-CE1 3.06Å; Q191-H293 PolarHBondContact NE2-NE2 3.5Å
192F95.2Very high95.5Very high2 Ų218.4 Ų18.41%0.0099%0.089CC..Hα-helixtrans-63-53.6175.8171.6-103.5000111.4S190 W194 S195 H196 I238 D249 R250 W614 S709 R710S190-F192 PolarHBondContact O-N 3.14Å; S190-F192 PolarHBondContact OG-N 3.4Å; F192-W194 PolarHBondContact O-N 3.18Å; F192-S195 PolarHBondContact O-N 3.43Å; F192-S195 PolarHBondContact O-OG 3.39Å; F192-H196 AromaticContact CE2-CE1 3.41Å; F192-H196 VanDerWaalsContact CE2-CE1 3.41Å; F192-H196 WeakPolarHBondContact CE2-CE1 3.48Å; F192-H196 AromaticContact CZ-CE1 3.45Å; F192-H196 VanDerWaalsContact CZ-CE1 3.45Å; F192-H196 WeakPolarHBondContact CZ-CE1 3.35Å; F192-H196 PolarHBondContact O-ND1 2.75Å; F192-I238 HydrophobicContact CD1-CD1 3.99Å; F192-I238 HydrophobicContact CD1-CG1 4.49Å; F192-I238 HydrophobicContact CE1-CD1 3.9Å; F192-I238 HydrophobicContact CE1-CG1 4.31Å; F192-D249 WeakPolarHBondContact CD2-OD1 3.36Å; F192-R250 HydrophobicContact CD2-CG 4.37Å; F192-R250 HydrophobicContact CE1-CG 4.33Å; F192-R250 HydrophobicContact CE2-CG 4.07Å; F192-R250 HydrophobicContact CZ-CG 4.05Å; F192-W614 AromaticContact CE1-CH2 3.87Å; F192-W614 HydrophobicContact CE1-CH2 3.87Å; F192-W614 HydrophobicContact CE1-CZ2 4.36Å; F192-W614 HydrophobicContact CE1-CZ3 4.31Å; F192-W614 AromaticContact CZ-CH2 3.81Å; F192-W614 HydrophobicContact CZ-CH2 3.81Å; F192-W614 AromaticContact CZ-CZ2 3.89Å; F192-W614 HydrophobicContact CZ-CZ2 3.89Å; F192-W614 HydrophobicContact CZ-CZ3 4.26Å; F192-S709 WeakPolarHBondContact CE2-OG 3.07Å; F192-R710 HydrophobicContact CE2-CG 4.36Å
193L96.5Very high95.2Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-62.7-44.3177-63.7178.1000111.1V188 S190 S195 H196 F231 I233 I238 A294 V296 V334 F336V188-L193 HydrophobicContact CG2-CD1 3.96Å; S190-L193 PolarHBondContact O-N 2.94Å; S190-L193 PolarHBondContact OG-N 2.84Å; S190-L193 VanDerWaalsContact OG-N 3.14Å; L193-S195 PolarHBondContact O-N 2.79Å; L193-H196 WeakPolarHBondContact O-CB 3.27Å; L193-H196 PolarHBondContact O-N 3.02Å; L193-F231 HydrophobicContact CD2-CE1 4.26Å; L193-I233 HydrophobicContact CD2-CD1 3.6Å; L193-I238 HydrophobicContact CD2-CD1 3.65Å; L193-I238 HydrophobicContact CG-CD1 4.22Å; L193-A294 HydrophobicContact CB-CB 4.18Å; L193-A294 HydrophobicContact CD1-CB 4Å; L193-V296 HydrophobicContact CD1-CG2 4.46Å; L193-V334 HydrophobicContact CD1-CG1 4.14Å; L193-V334 HydrophobicContact CD1-CG2 4.42Å; L193-V334 HydrophobicContact CD2-CG1 4.35Å; L193-V334 HydrophobicContact CD2-CG2 4.26Å; L193-F336 HydrophobicContact CB-CE1 4.15Å; L193-F336 WeakPolarHBondContact O-CE1 3.29Å; L193-F336 WeakPolarHBondContact O-CZ 3.1Å
194W95.7Very high94.9Very high28 Ų2824.6 Ų24.611%0.10612%0.118CC..Hα-helixtrans-59.5-35.2178.7-163.8-128.9000112.7S190 F192 H196 H197 R198 F200 H293 F336 A340S190-W194 WeakPolarHBondContact O-CB 3.45Å; S190-W194 PolarHBondContact O-N 3.11Å; F192-W194 PolarHBondContact O-N 3.18Å; W194-H196 PolarHBondContact O-N 2.75Å; W194-H197 HydrophobicContact CE3-CB 4.46Å; W194-H197 AromaticContact CE3-CD2 3.94Å; W194-H197 AromaticContact CH2-CD2 3.82Å; W194-H197 AromaticContact CZ3-CD2 3.42Å; W194-H197 VanDerWaalsContact CZ3-CD2 3.42Å; W194-H197 WeakPolarHBondContact CZ3-CD2 3.49Å; W194-H197 PolarHBondContact O-N 3.4Å; W194-R198 HydrophobicContact CD2-CB 4.45Å; W194-R198 HydrophobicContact CD2-CG 3.99Å; W194-R198 HydrophobicContact CE3-CG 4.46Å; W194-R198 HydrophobicContact CH2-CG 3.9Å; W194-R198 HydrophobicContact CZ2-CB 4.4Å; W194-R198 HydrophobicContact CZ2-CG 3.33Å; W194-R198 HydrophobicContact CZ3-CG 4.43Å; W194-R198 PolarHBondContact O-N 3.48Å; W194-F200 HydrophobicContact CB-CE1 4.19Å; W194-F200 HydrophobicContact CB-CZ 4.17Å; W194-F200 AromaticContact CD1-CE1 3.33Å; W194-F200 AromaticContact CD1-CZ 3.92Å; W194-F200 AromaticContact CG-CE1 3.99Å; W194-F200 HydrophobicContact CG-CE1 3.99Å; W194-F200 HydrophobicContact CG-CZ 4.4Å; W194-H293 HydrophobicContact CB-CB 4.01Å; W194-H293 AromaticContact CD1-CD2 3.64Å; W194-H293 HydrophobicContact CD2-CB 4.44Å; W194-H293 AromaticContact CD2-CD2 3.81Å; W194-H293 HydrophobicContact CE3-CB 4.28Å; W194-H293 HydrophobicContact CG-CB 4.36Å; W194-H293 AromaticContact CG-CD2 3.43Å; W194-H293 VanDerWaalsContact CG-CD2 3.43Å; W194-H293 VanDerWaalsContact CZ3-O 3.31Å; W194-H293 WeakPolarHBondContact CZ3-O 3.25Å; W194-F336 HydrophobicContact CE3-CD1 4.05Å; W194-F336 HydrophobicContact CZ3-CB 4.39Å; W194-F336 HydrophobicContact CZ3-CD1 4.27Å; W194-A340 HydrophobicContact CH2-CB 4.18Å; W194-A340 HydrophobicContact CZ2-CB 3.79Å
195S95.2Very high94.6Very high0 Ų028.7 Ų28.70%014%0.137CC..Hα-helixtrans-65.3-20.7177.376.80000113.7Q191 F192 L193 H197 I403 S404 N407Q191-S195 VanDerWaalsContact O-CB 3.3Å; Q191-S195 WeakPolarHBondContact O-CB 3.26Å; Q191-S195 PolarHBondContact O-N 2.92Å; F192-S195 PolarHBondContact O-N 3.43Å; F192-S195 PolarHBondContact O-OG 3.39Å; L193-S195 PolarHBondContact O-N 2.79Å; S195-H197 VanDerWaalsContact C-N 3.25Å; S195-I403 CarbonylContact O-C 3.52Å; S195-I403 WeakPolarHBondContact O-CG2 3.4Å; S195-S404 WeakPolarHBondContact O-CA 3.45Å; S195-S404 PolarHBondContact O-N 2.6Å; S195-S404 VanDerWaalsContact O-N 3.15Å; S195-S404 PolarHBondContact OG-OG 2.93Å; S195-N407 PolarHBondContact O-ND2 3.4Å; S195-N407 VanDerWaalsContact O-ND2 3.1Å
196H95.8Very high94.2Very high2 Ų228.7 Ų28.71%0.00914%0.137CC..THydrogen-bonded Turntrans-81.2-4.9173.3-72.378.3000113.1F192 L193 W194 F231 R400 S404F192-H196 AromaticContact CE2-CE1 3.41Å; F192-H196 VanDerWaalsContact CE2-CE1 3.41Å; F192-H196 WeakPolarHBondContact CE2-CE1 3.48Å; F192-H196 AromaticContact CZ-CE1 3.45Å; F192-H196 VanDerWaalsContact CZ-CE1 3.45Å; F192-H196 WeakPolarHBondContact CZ-CE1 3.35Å; F192-H196 PolarHBondContact O-ND1 2.75Å; L193-H196 WeakPolarHBondContact O-CB 3.27Å; L193-H196 PolarHBondContact O-N 3.02Å; W194-H196 PolarHBondContact O-N 2.75Å; H196-F231 HydrophobicContact CB-CD1 4.39Å; H196-F231 HydrophobicContact CB-CE1 3.75Å; H196-F231 HydrophobicContact CB-CZ 4.15Å; H196-F231 AromaticContact CD2-CE1 3.94Å; H196-F231 AromaticContact CD2-CZ 3.5Å; H196-F231 VanDerWaalsContact CD2-CZ 3.5Å; H196-F231 WeakPolarHBondContact CD2-CZ 2.86Å; H196-F231 AromaticContact CG-CE1 3.71Å; H196-F231 AromaticContact CG-CZ 3.78Å; H196-R400 HydrophobicContact CB-CB 4.22Å; H196-R400 WeakPolarHBondContact O-CB 3.16Å; H196-R400 VanDerWaalsContact O-CG 3.3Å; H196-R400 WeakPolarHBondContact O-CG 3.28Å; H196-R400 PolarHBondContact O-NH1 3.06Å; H196-S404 PolarHBondContact CE1-OG 3.39Å; H196-S404 PolarHBondContact ND1-OG 2.8Å
197H95.4Very high93.6Very high2 Ų230 Ų301%0.00915%0.152CC..THydrogen-bonded Turntrans-124.6-24.8-176.1-17568.2000113.5W194 S195 S225 F336 H395 R400W194-H197 HydrophobicContact CE3-CB 4.46Å; W194-H197 AromaticContact CE3-CD2 3.94Å; W194-H197 AromaticContact CH2-CD2 3.82Å; W194-H197 AromaticContact CZ3-CD2 3.42Å; W194-H197 VanDerWaalsContact CZ3-CD2 3.42Å; W194-H197 WeakPolarHBondContact CZ3-CD2 3.49Å; W194-H197 PolarHBondContact O-N 3.4Å; S195-H197 VanDerWaalsContact C-N 3.25Å; H197-S225 PolarHBondContact CE1-O 3.33Å; H197-F336 HydrophobicContact CB-CB 4.47Å; H197-F336 HydrophobicContact CB-CD1 3.64Å; H197-F336 HydrophobicContact CB-CD2 3.89Å; H197-F336 HydrophobicContact CB-CE1 3.73Å; H197-F336 HydrophobicContact CB-CE2 3.97Å; H197-F336 HydrophobicContact CB-CG 3.72Å; H197-F336 HydrophobicContact CB-CZ 3.88Å; H197-F336 VanDerWaalsContact CD2-CB 3.5Å; H197-F336 WeakPolarHBondContact CD2-CB 3.38Å; H197-F336 AromaticContact CD2-CG 3.71Å; H197-F336 VanDerWaalsContact CE1-CB 3.5Å; H197-F336 WeakPolarHBondContact CE1-CB 3.37Å; H197-F336 AromaticContact CE1-CG 3.91Å; H197-F336 AromaticContact CG-CD1 3.84Å; H197-F336 AromaticContact CG-CD2 3.74Å; H197-F336 AromaticContact CG-CG 3.47Å; H197-F336 VanDerWaalsContact CG-CG 3.47Å; H197-F336 AromaticContact ND1-CD2 3.54Å; H197-F336 AromaticContact ND1-CG 3.67Å; H197-F336 VanDerWaalsContact NE2-CB 3.31Å; H197-F336 WeakPolarHBondContact NE2-CB 3.38Å; H197-F336 AromaticContact NE2-CG 3.96Å; H197-H395 PolarHBondContact O-NE2 3.25Å; H197-R400 PolarHBondContact ND1-NH1 3.2Å
198R94.1Very high93.1Very high17 Ų1736.8 Ų36.86%0.06419%0.188CC..  trans-133.1139.6-178.7-69.3-63.2-179.2-105.6-2.2111.7W194 F200 C224 K338 H395 N407W194-R198 HydrophobicContact CD2-CB 4.45Å; W194-R198 HydrophobicContact CD2-CG 3.99Å; W194-R198 HydrophobicContact CE3-CG 4.46Å; W194-R198 HydrophobicContact CH2-CG 3.9Å; W194-R198 HydrophobicContact CZ2-CB 4.4Å; W194-R198 HydrophobicContact CZ2-CG 3.33Å; W194-R198 HydrophobicContact CZ3-CG 4.43Å; W194-R198 PolarHBondContact O-N 3.48Å; R198-F200 HydrophobicContact CB-CD1 4.36Å; R198-F200 HydrophobicContact CB-CE1 4.36Å; R198-C224 PolarHBondContact NH1-O 2.97Å; R198-C224 PolarHBondContact NH2-O 3.07Å; R198-K338 PolarHBondContact NH2-O 3.02Å; R198-H395 PolarHBondContact NH1-CE1 2.85Å; R198-H395 VanDerWaalsContact NH1-CE1 3.32Å; R198-H395 PolarHBondContact NH1-NE2 2.83Å; R198-N407 PolarHBondContact O-ND2 3.46Å
199L93.4Very high92.7Very high5 Ų537 Ų373%0.02619%0.189CC..PPolyproline II helixtrans-70.9131.9157.5-60.1172.4000107.9F216 Q217 L394 I403 L406 Y444L199-F216 HydrophobicContact CD1-CD1 4.47Å; L199-F216 HydrophobicContact CD1-CE1 4.38Å; L199-Q217 VanDerWaalsContact C-NE2 3.29Å; L199-Q217 HydrophobicContact CB-CG 4.22Å; L199-Q217 VanDerWaalsContact CB-NE2 3.34Å; L199-Q217 PolarHBondContact O-NE2 3.12Å; L199-Q217 PolarHBondContact O-OE1 3.41Å; L199-L394 HydrophobicContact CD1-CD1 4.22Å; L199-L394 HydrophobicContact CD1-CD2 3.66Å; L199-L394 HydrophobicContact CG-CD2 4.03Å; L199-I403 HydrophobicContact CD2-CB 4.39Å; L199-I403 HydrophobicContact CD2-CG2 3.75Å; L199-I403 HydrophobicContact CG-CG2 4.23Å; L199-L406 HydrophobicContact CD2-CB 4.33Å; L199-L406 HydrophobicContact CD2-CD1 4.15Å; L199-Y444 WeakPolarHBondContact CB-OH 3.38Å; L199-Y444 HydrophobicContact CD1-CE1 4.23Å; L199-Y444 WeakPolarHBondContact CD1-OH 3.45Å; L199-Y444 VanDerWaalsContact CD2-OH 3.25Å; L199-Y444 WeakPolarHBondContact CD2-OH 3.44Å; L199-Y444 WeakPolarHBondContact CG-OH 3.17Å
200F91.9Very high92.5Very high35 Ų3539.4 Ų39.415%0.15421%0.214CC..PPolyproline II helixtrans-87.3138.3-178.5-67.7-6.6000110.2Q191 W194 R198 F202 Q217 N407Q191-F200 WeakPolarHBondContact O-CZ 3.26Å; W194-F200 HydrophobicContact CB-CE1 4.19Å; W194-F200 HydrophobicContact CB-CZ 4.17Å; W194-F200 AromaticContact CD1-CE1 3.33Å; W194-F200 AromaticContact CD1-CZ 3.92Å; W194-F200 AromaticContact CG-CE1 3.99Å; W194-F200 HydrophobicContact CG-CE1 3.99Å; W194-F200 HydrophobicContact CG-CZ 4.4Å; R198-F200 HydrophobicContact CB-CD1 4.36Å; R198-F200 HydrophobicContact CB-CE1 4.36Å; F200-F202 VanDerWaalsContact O-CD1 3.25Å; F200-F202 WeakPolarHBondContact O-CD1 3.45Å; F200-F202 PolarHBondContact O-N 3.05Å; F200-Q217 VanDerWaalsContact C-NE2 3.26Å; F200-Q217 PolarHBondContact O-NE2 3.44Å; F200-N407 WeakPolarHBondContact CB-OD1 3.47Å; F200-N407 HydrophobicContact CD2-CB 4.17Å; F200-N407 HydrophobicContact CG-CB 4.43Å; F200-N407 PolarHBondContact N-OD1 3.45Å
201P89.3Confident92.3Very high85 Ų8539.5 Ų39.555%0.55221%0.214SC*.PPolyproline II helixtrans-69.7123.1168.229.4-32.5000108.2K214P201-K214 HydrophobicContact CB-CB 4.25Å
202F90.6Very high92.1Very high25 Ų2538.6 Ų38.611%0.1121%0.211CC..  trans-147.2152171.963.9-92.4000110.7F200 I204 I213 K412 Y444F200-F202 VanDerWaalsContact O-CD1 3.25Å; F200-F202 WeakPolarHBondContact O-CD1 3.45Å; F200-F202 PolarHBondContact O-N 3.05Å; F202-I204 HydrophobicContact CD2-CB 4.3Å; F202-I204 HydrophobicContact CE2-CB 4.12Å; F202-I204 HydrophobicContact CE2-CD1 4.46Å; F202-I213 HydrophobicContact CD1-CB 4.35Å; F202-I213 HydrophobicContact CD1-CG1 4.31Å; F202-I213 HydrophobicContact CD2-CG1 3.86Å; F202-I213 HydrophobicContact CE1-CB 4.25Å; F202-I213 HydrophobicContact CE1-CG1 3.99Å; F202-I213 HydrophobicContact CE1-CG2 4.13Å; F202-I213 HydrophobicContact CE2-CD1 4.36Å; F202-I213 HydrophobicContact CE2-CG1 3.51Å; F202-I213 HydrophobicContact CG-CG1 4.25Å; F202-I213 HydrophobicContact CZ-CB 4.35Å; F202-I213 HydrophobicContact CZ-CD1 4.36Å; F202-I213 HydrophobicContact CZ-CG1 3.58Å; F202-I213 HydrophobicContact CZ-CG2 4.41Å; F202-I213 WeakPolarHBondContact O-CB 3.41Å; F202-I213 WeakPolarHBondContact O-CG1 3.38Å; F202-I213 PolarHBondContact O-N 3.08Å; F202-K412 HydrophobicContact CD2-CD 3.95Å; F202-K412 HydrophobicContact CD2-CG 4.36Å; F202-K412 HydrophobicContact CE2-CD 3.76Å; F202-K412 HydrophobicContact CE2-CG 3.67Å; F202-K412 HydrophobicContact CG-CD 4.44Å; F202-K412 HydrophobicContact CZ-CD 4.1Å; F202-K412 VanDerWaalsContact CZ-CE 3.45Å; F202-K412 HydrophobicContact CZ-CG 3.87Å; F202-Y444 HydrophobicContact CE1-CE2 4.39Å; F202-Y444 HydrophobicContact CZ-CE2 4.38Å
203Q92.1Very high91.9Very high150 Ų15038.6 Ų38.670%0.70121%0.211SC*.EExtended strand (participates in β ladder)trans-92.1135.3170.6-66.9-177.2-12.100109.8I211 D212Q203-I211 CarbonylContact C-O 3.57Å; Q203-I211 VanDerWaalsContact CA-O 3.3Å; Q203-I211 WeakPolarHBondContact CA-O 3.49Å; Q203-D212 HydrophobicContact CG-CB 4.34Å
204I92.1Very high91.5Very high11 Ų1143.5 Ų43.56%0.05623%0.233CC..EExtended strand (participates in β ladder)trans-121.5135174.1-168.5169.1000108.9F202 I206 I211 I213 K412 T416 L448F202-I204 HydrophobicContact CD2-CB 4.3Å; F202-I204 HydrophobicContact CE2-CB 4.12Å; F202-I204 HydrophobicContact CE2-CD1 4.46Å; I204-I206 HydrophobicContact CD1-CD1 4.29Å; I204-I206 HydrophobicContact CD1-CG1 4.4Å; I204-I206 HydrophobicContact CG1-CD1 4.44Å; I204-I206 HydrophobicContact CG1-CG1 4.09Å; I204-I211 HydrophobicContact CG2-CB 3.88Å; I204-I211 PolarHBondContact N-O 3.29Å; I204-I211 PolarHBondContact O-N 3.45Å; I204-I213 HydrophobicContact CG2-CD1 4.3Å; I204-I213 HydrophobicContact CG2-CG1 4.48Å; I204-K412 HydrophobicContact CD1-CB 4.42Å; I204-T416 WeakPolarHBondContact CD1-OG1 3.48Å; I204-L448 HydrophobicContact CG2-CD2 3.81Å
205K92Very high90.9Very high144 Ų14446.8 Ų46.863%0.62625%0.249SC*.EExtended strand (participates in β ladder)trans-107.5118.6176.6-172.7-179.4178-175.90109.3G207 T209K205-G207 WeakPolarHBondContact CE-O 3.34Å; K205-T209 WeakPolarHBondContact CA-O 3.45Å
206I90.2Very high90.6Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-124117179.3-52-178.1000107.8I204 D208 T209 I211 I419 N420 I423 L448 V452I204-I206 HydrophobicContact CD1-CD1 4.29Å; I204-I206 HydrophobicContact CD1-CG1 4.4Å; I204-I206 HydrophobicContact CG1-CD1 4.44Å; I204-I206 HydrophobicContact CG1-CG1 4.09Å; I206-D208 PolarHBondContact O-N 2.8Å; I206-T209 PolarHBondContact N-O 3.36Å; I206-T209 WeakPolarHBondContact O-CB 3.47Å; I206-T209 PolarHBondContact O-N 2.96Å; I206-I211 HydrophobicContact CD1-CD1 4.21Å; I206-I419 HydrophobicContact CD1-CB 4.45Å; I206-I419 HydrophobicContact CD1-CD1 3.58Å; I206-I419 HydrophobicContact CG2-CB 3.79Å; I206-I419 HydrophobicContact CG2-CG2 3.52Å; I206-N420 WeakPolarHBondContact CG2-OD1 3.45Å; I206-I423 HydrophobicContact CG2-CD1 4.29Å; I206-L448 HydrophobicContact CD1-CB 4.38Å; I206-L448 HydrophobicContact CD1-CD1 4.47Å; I206-L448 HydrophobicContact CD1-CD2 4.4Å; I206-V452 HydrophobicContact CB-CG2 4.04Å; I206-V452 HydrophobicContact CD1-CG2 4.46Å; I206-V452 HydrophobicContact CG2-CG2 4.1Å
207G85.4Confident90Very high32 Ų3247.4 Ų47.433%0.3325%0.252SS..THydrogen-bonded Turntrans50.7-125.6-16300000111.2K205 N420K205-G207 WeakPolarHBondContact CE-O 3.34Å; G207-N420 PolarHBondContact N-OD1 3.12Å
208D87Confident89.2Confident143 Ų14350.9 Ų50.977%0.76527%0.268SS*.THydrogen-bonded Turntrans-92.48.1176.2-63.7-36000113.8I206I206-D208 PolarHBondContact O-N 2.8Å
209T89.4Confident88.8Confident5 Ų553.2 Ų53.23%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-102.7116.7-178.2-600000110.8K205 I206 I211 V452 K455K205-T209 WeakPolarHBondContact CA-O 3.45Å; I206-T209 PolarHBondContact N-O 3.36Å; I206-T209 WeakPolarHBondContact O-CB 3.47Å; I206-T209 PolarHBondContact O-N 2.96Å; T209-I211 HydrophobicContact CG2-CD1 4.34Å; T209-I211 HydrophobicContact CG2-CG1 3.79Å; T209-V452 HydrophobicContact CG2-CG2 4.46Å; T209-K455 WeakPolarHBondContact OG1-CD 3.45Å; T209-K455 WeakPolarHBondContact OG1-CE 3.38Å; T209-K455 PolarHBondContact OG1-NZ 3.29Å
210A91.6Very high88.5Confident76 Ų7656.6 Ų56.663%0.62831%0.306SS*.EExtended strand (participates in β ladder)trans-86130.9164.400000109.3
211I90.8Very high88.4Confident1 Ų155.2 Ų55.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-124.4131.7179.8-53.6169.8000107.4Q203 I204 I206 T209 F447 L448 K451 V452Q203-I211 CarbonylContact C-O 3.57Å; Q203-I211 VanDerWaalsContact CA-O 3.3Å; Q203-I211 WeakPolarHBondContact CA-O 3.49Å; I204-I211 HydrophobicContact CG2-CB 3.88Å; I204-I211 PolarHBondContact N-O 3.29Å; I204-I211 PolarHBondContact O-N 3.45Å; I206-I211 HydrophobicContact CD1-CD1 4.21Å; T209-I211 HydrophobicContact CG2-CD1 4.34Å; T209-I211 HydrophobicContact CG2-CG1 3.79Å; I211-F447 HydrophobicContact CG2-CE1 3.86Å; I211-F447 HydrophobicContact CG2-CZ 4.46Å; I211-L448 HydrophobicContact CD1-CD2 3.87Å; I211-L448 HydrophobicContact CG2-CD2 4.19Å; I211-K451 HydrophobicContact CD1-CB 3.64Å; I211-K451 HydrophobicContact CD1-CG 4.31Å; I211-K451 HydrophobicContact CG1-CB 3.97Å; I211-K451 HydrophobicContact CG1-CG 4.41Å; I211-K451 HydrophobicContact CG2-CD 4.37Å; I211-K451 HydrophobicContact CG2-CG 4.09Å; I211-V452 HydrophobicContact CD1-CG2 3.9Å
212D90.7Very high88.3Confident48 Ų4855 Ų5526%0.25729%0.292SS..EExtended strand (participates in β ladder)trans-96.4117.3170.6-165.7-20.4000109.6Q203 K214 E215Q203-D212 HydrophobicContact CG-CB 4.34Å; D212-K214 PolarHBondContact O-N 2.8Å; D212-K214 WeakPolarHBondContact OD1-CB 3.48Å; D212-K214 PolarHBondContact OD1-N 2.96Å; D212-E215 HydrophobicContact CB-CG 4.49Å; D212-E215 WeakPolarHBondContact O-CB 3.39Å; D212-E215 WeakPolarHBondContact O-CG 3.5Å; D212-E215 PolarHBondContact O-N 3.36Å; D212-E215 VanDerWaalsContact O-N 3.12Å
213I90.1Very high88.2Confident1 Ų156.8 Ų56.81%0.00531%0.308CS..G310 helixtrans-66.7-17.7178.9-63-62.4000112F202 I204 E215 F216 Y444 F447 L448F202-I213 HydrophobicContact CD1-CB 4.35Å; F202-I213 HydrophobicContact CD1-CG1 4.31Å; F202-I213 HydrophobicContact CD2-CG1 3.86Å; F202-I213 HydrophobicContact CE1-CB 4.25Å; F202-I213 HydrophobicContact CE1-CG1 3.99Å; F202-I213 HydrophobicContact CE1-CG2 4.13Å; F202-I213 HydrophobicContact CE2-CD1 4.36Å; F202-I213 HydrophobicContact CE2-CG1 3.51Å; F202-I213 HydrophobicContact CG-CG1 4.25Å; F202-I213 HydrophobicContact CZ-CB 4.35Å; F202-I213 HydrophobicContact CZ-CD1 4.36Å; F202-I213 HydrophobicContact CZ-CG1 3.58Å; F202-I213 HydrophobicContact CZ-CG2 4.41Å; F202-I213 WeakPolarHBondContact O-CB 3.41Å; F202-I213 WeakPolarHBondContact O-CG1 3.38Å; F202-I213 PolarHBondContact O-N 3.08Å; I204-I213 HydrophobicContact CG2-CD1 4.3Å; I204-I213 HydrophobicContact CG2-CG1 4.48Å; I213-E215 PolarHBondContact O-N 3.25Å; I213-E215 VanDerWaalsContact O-N 3.13Å; I213-F216 WeakPolarHBondContact O-CB 3.07Å; I213-F216 PolarHBondContact O-N 3.33Å; I213-Y444 HydrophobicContact CG2-CE1 4.26Å; I213-Y444 HydrophobicContact CG2-CE2 3.89Å; I213-F447 HydrophobicContact CD1-CE1 4.4Å; I213-L448 HydrophobicContact CD1-CD2 3.64Å
214K88.1Confident88.3Confident104 Ų10449.6 Ų49.645%0.45227%0.274SS..G310 helixtrans-54.4-31.1170.9-169.2178.2-177.5-179.20112.2P201 D212 F216 Q217 E222P201-K214 HydrophobicContact CB-CB 4.25Å; D212-K214 PolarHBondContact O-N 2.8Å; D212-K214 WeakPolarHBondContact OD1-CB 3.48Å; D212-K214 PolarHBondContact OD1-N 2.96Å; K214-F216 PolarHBondContact O-N 3.17Å; K214-Q217 WeakPolarHBondContact O-CA 3.26Å; K214-Q217 WeakPolarHBondContact O-CB 3.33Å; K214-Q217 PolarHBondContact O-N 3.35Å; K214-Q217 VanDerWaalsContact O-O 3.13Å; K214-E222 WeakPolarHBondContact CE-OE1 3.5Å
215E84.9Confident88.2Confident96 Ų9649.7 Ų49.745%0.44928%0.276SS..G310 helixtrans-63.6-26.1176.4-64-172.1-120.400113.7D212 I213 Q217 F447 K451D212-E215 HydrophobicContact CB-CG 4.49Å; D212-E215 WeakPolarHBondContact O-CB 3.39Å; D212-E215 WeakPolarHBondContact O-CG 3.5Å; D212-E215 PolarHBondContact O-N 3.36Å; D212-E215 VanDerWaalsContact O-N 3.12Å; I213-E215 PolarHBondContact O-N 3.25Å; I213-E215 VanDerWaalsContact O-N 3.13Å; E215-Q217 VanDerWaalsContact C-N 3.35Å; E215-F447 HydrophobicContact CB-CZ 3.88Å; E215-K451 IonicContact OE1-NZ 3.55Å; E215-K451 PolarHBondContact OE1-NZ 2.71Å; E215-K451 VanDerWaalsContact OE1-NZ 3.1Å; E215-K451 IonicContact OE2-NZ 3.41Å; E215-K451 PolarHBondContact OE2-NZ 2.58Å
216F87.2Confident88.3Confident1 Ų142.8 Ų42.80%0.00425%0.246CC..G310 helixtrans-76.3-27.4172.2-174.4-83.2000111.6L199 I213 K214 H218 W398 Y444 F447 L475 I478 Y479L199-F216 HydrophobicContact CD1-CD1 4.47Å; L199-F216 HydrophobicContact CD1-CE1 4.38Å; I213-F216 WeakPolarHBondContact O-CB 3.07Å; I213-F216 PolarHBondContact O-N 3.33Å; K214-F216 PolarHBondContact O-N 3.17Å; F216-H218 PolarHBondContact O-N 3.02Å; F216-W398 HydrophobicContact CE1-CH2 4.1Å; F216-W398 AromaticContact CZ-CH2 3.79Å; F216-W398 HydrophobicContact CZ-CH2 3.79Å; F216-W398 HydrophobicContact CZ-CZ2 4.44Å; F216-Y444 HydrophobicContact CB-CE1 4.49Å; F216-Y444 AromaticContact CD1-CD1 3.91Å; F216-Y444 HydrophobicContact CD1-CD1 3.91Å; F216-Y444 AromaticContact CD1-CE1 3.41Å; F216-Y444 HydrophobicContact CD1-CE1 3.41Å; F216-Y444 VanDerWaalsContact CD1-CE1 3.41Å; F216-Y444 AromaticContact CD2-CD1 3.98Å; F216-Y444 HydrophobicContact CD2-CD1 3.98Å; F216-Y444 HydrophobicContact CD2-CE1 4.31Å; F216-Y444 AromaticContact CE1-CD1 3.91Å; F216-Y444 HydrophobicContact CE1-CD1 3.91Å; F216-Y444 AromaticContact CE1-CE1 3.55Å; F216-Y444 HydrophobicContact CE1-CE1 3.55Å; F216-Y444 AromaticContact CE2-CD1 3.97Å; F216-Y444 HydrophobicContact CE2-CD1 3.97Å; F216-Y444 HydrophobicContact CE2-CE1 4.42Å; F216-Y444 AromaticContact CG-CD1 3.94Å; F216-Y444 HydrophobicContact CG-CD1 3.94Å; F216-Y444 AromaticContact CG-CE1 3.82Å; F216-Y444 HydrophobicContact CG-CE1 3.82Å; F216-Y444 AromaticContact CZ-CD1 3.94Å; F216-Y444 HydrophobicContact CZ-CD1 3.94Å; F216-Y444 HydrophobicContact CZ-CE1 4.07Å; F216-F447 HydrophobicContact CB-CD1 4.27Å; F216-F447 HydrophobicContact CB-CE1 4.18Å; F216-F447 HydrophobicContact CB-CZ 4.35Å; F216-F447 HydrophobicContact CD2-CB 3.84Å; F216-F447 HydrophobicContact CD2-CD1 4.15Å; F216-F447 HydrophobicContact CD2-CD2 4.11Å; F216-F447 AromaticContact CD2-CG 3.76Å; F216-F447 HydrophobicContact CD2-CG 3.76Å; F216-F447 HydrophobicContact CE2-CB 4.22Å; F216-L475 HydrophobicContact CE2-CD2 4.08Å; F216-L475 HydrophobicContact CZ-CD2 3.75Å; F216-I478 HydrophobicContact CD1-CD1 4.29Å; F216-I478 HydrophobicContact CD2-CG2 3.8Å; F216-I478 HydrophobicContact CE1-CD1 3.73Å; F216-I478 HydrophobicContact CE2-CD1 4.36Å; F216-I478 HydrophobicContact CE2-CG2 3.93Å; F216-I478 HydrophobicContact CG-CG2 4.18Å; F216-I478 HydrophobicContact CZ-CD1 3.78Å; F216-I478 HydrophobicContact CZ-CG2 4.4Å; F216-Y479 HydrophobicContact CE2-CE1 4.39Å
217Q83.7Confident88.3Confident15 Ų1545.5 Ų45.57%0.0726%0.26CS..SBendtrans-85.298.1-176.2-60.5177.115.500109.6L199 F200 K214 E215 E222L199-Q217 VanDerWaalsContact C-NE2 3.29Å; L199-Q217 HydrophobicContact CB-CG 4.22Å; L199-Q217 VanDerWaalsContact CB-NE2 3.34Å; L199-Q217 PolarHBondContact O-NE2 3.12Å; L199-Q217 PolarHBondContact O-OE1 3.41Å; F200-Q217 VanDerWaalsContact C-NE2 3.26Å; F200-Q217 PolarHBondContact O-NE2 3.44Å; K214-Q217 WeakPolarHBondContact O-CA 3.26Å; K214-Q217 WeakPolarHBondContact O-CB 3.33Å; K214-Q217 PolarHBondContact O-N 3.35Å; K214-Q217 VanDerWaalsContact O-O 3.13Å; E215-Q217 VanDerWaalsContact C-N 3.35Å; Q217-E222 HydrophobicContact CB-CG 4.31Å
218H79.9Confident88.4Confident75 Ų7546.1 Ų46.135%0.34726%0.258SS..  trans-61.9151.4172.3-163.6-103.3000110.9F216 E220 I221 E222F216-H218 PolarHBondContact O-N 3.02Å; H218-E220 IonicContact CE1-OE1 2.72Å; H218-E220 IonicContact ND1-OE2 2.55Å; H218-E220 PolarHBondContact O-N 2.83Å; H218-I221 HydrophobicContact CB-CD1 4.45Å; H218-I221 WeakPolarHBondContact O-CA 3.11Å; H218-I221 WeakPolarHBondContact O-CB 3.38Å; H218-I221 PolarHBondContact O-N 3Å; H218-E222 PolarHBondContact O-N 3.35Å
219A84.4Confident88.5Confident65 Ų6542.1 Ų42.154%0.53724%0.242SC..Hα-helixtrans-56.5-28.8-178.500000113.4E222 S223A219-E222 PolarHBondContact O-N 3.44Å; A219-S223 WeakPolarHBondContact O-CB 3.35Å; A219-S223 PolarHBondContact O-N 3.39Å; A219-S223 VanDerWaalsContact O-N 3.14Å; A219-S223 PolarHBondContact O-OG 2.91Å
220E86.7Confident88.7Confident76 Ų7642.8 Ų42.836%0.35525%0.246SC..Hα-helixtrans-64-38.7173.1-68.9172.7-177.900112.3H218 C224 C392 R477H218-E220 IonicContact CE1-OE1 2.72Å; H218-E220 IonicContact ND1-OE2 2.55Å; H218-E220 PolarHBondContact O-N 2.83Å; E220-C224 WeakPolarHBondContact O-CB 3.49Å; E220-C224 PolarHBondContact O-N 3.03Å; E220-C224 VanDerWaalsContact O-N 3.08Å; E220-C392 HydrophobicContact CB-CB 4.22Å; E220-C392 WeakPolarHBondContact O-CB 3.25Å; E220-R477 IonicContact OE2-NH1 3.1Å; E220-R477 PolarHBondContact OE2-NH1 2.81Å; E220-R477 VanDerWaalsContact OE2-NH1 3.09Å
221I90Very high88.9Confident6 Ų640.2 Ų40.23%0.03122%0.22CC..Hα-helixtrans-68.6-42.6177.7-63.2172.7000110.1H218 S223 C392 L394 I478H218-I221 HydrophobicContact CB-CD1 4.45Å; H218-I221 WeakPolarHBondContact O-CA 3.11Å; H218-I221 WeakPolarHBondContact O-CB 3.38Å; H218-I221 PolarHBondContact O-N 3Å; I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 3.07Å; I221-C392 HydrophobicContact CB-CB 4.35Å; I221-C392 HydrophobicContact CG1-CB 3.83Å; I221-L394 HydrophobicContact CG1-CB 4.43Å; I221-L394 HydrophobicContact CG2-CD2 3.67Å; I221-I478 HydrophobicContact CD1-CD1 4.29Å
222E87.8Confident89.2Confident80 Ų8044 Ų4437%0.37424%0.241SC..Hα-helixtrans-63.9-35.2179.9-64.4-172159.200112.5K214 Q217 H218 A219K214-E222 WeakPolarHBondContact CE-OE1 3.5Å; Q217-E222 HydrophobicContact CB-CG 4.31Å; H218-E222 PolarHBondContact O-N 3.35Å; A219-E222 PolarHBondContact O-N 3.44Å
223S88.9Confident89.4Confident63 Ų6341.8 Ų41.844%0.44123%0.229SC..Hα-helixtrans-98.5-3.4-175.360.40000115.2A219 I221 K338A219-S223 WeakPolarHBondContact O-CB 3.35Å; A219-S223 PolarHBondContact O-N 3.39Å; A219-S223 VanDerWaalsContact O-N 3.14Å; A219-S223 PolarHBondContact O-OG 2.91Å; I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 3.07Å; S223-K338 WeakPolarHBondContact O-CE 3.28Å
224C92.8Very high89.7Confident0 Ų041.8 Ų41.80%023%0.229CC..  trans-69.5135-175.7179.10000112.8R198 E220 G226 C390 S391 C392 H395R198-C224 PolarHBondContact NH1-O 2.97Å; R198-C224 PolarHBondContact NH2-O 3.07Å; E220-C224 WeakPolarHBondContact O-CB 3.49Å; E220-C224 PolarHBondContact O-N 3.03Å; E220-C224 VanDerWaalsContact O-N 3.08Å; C224-G226 PolarHBondContact O-N 3.24Å; C224-G226 PolarHBondContact SG-N 3.48Å; C224-C390 VanDerWaalsContact SG-CA 3.57Å; C224-C390 VanDerWaalsContact SG-SG 3.62Å; C224-S391 PolarHBondContact SG-N 3.02Å; C224-C392 HydrophobicContact CB-CB 3.85Å; C224-C392 PolarHBondContact SG-SG 2.79Å; C224-H395 PolarHBondContact SG-ND1 2.76Å
225S91.8Very high90.1Very high12 Ų1236.9 Ų36.98%0.08421%0.207CC..  trans-65.9-19.6175.9-53.40000113.9H197H197-S225 PolarHBondContact CE1-O 3.33Å
226G93.2Very high90.6Very high0 Ų033.3 Ų33.30%019%0.193CC..  trans86.2-173.3-175.300000113.8C224 S389 C390C224-G226 PolarHBondContact O-N 3.24Å; C224-G226 PolarHBondContact SG-N 3.48Å; G226-S389 CarbonylContact O-C 3.42Å; G226-C390 VanDerWaalsContact O-CA 3.28Å; G226-C390 WeakPolarHBondContact O-CA 3.43Å; G226-C390 WeakPolarHBondContact O-CB 3.34Å; G226-C390 PolarHBondContact O-N 2.66Å
227L90.3Very high91Very high57 Ų5736 Ų3630%0.29821%0.205SC..  trans-67.9141.9177.4-81.7178.8000111S229 C390 H395 R396L227-S229 PolarHBondContact O-N 2.89Å; L227-C390 HydrophobicContact CD2-CB 4.48Å; L227-H395 WeakPolarHBondContact CD1-O 3.41Å; L227-H395 HydrophobicContact CG-CB 3.97Å; L227-H395 WeakPolarHBondContact CG-O 3.38Å; L227-R396 HydrophobicContact CD2-CG 4.01Å
228P86.3Confident91.5Very high44 Ų4435.3 Ų35.329%0.28620%0.203SC..SBendtrans-72.9-16.317630.3-35.3000113.3R361P228-R361 PolarHBondContact O-NH1 2.79Å
229S90.4Very high92.1Very high60 Ų6037.4 Ų37.442%0.4221%0.213SC..SBendtrans-67.4142.5178.958.10000111.4L227 R400L227-S229 PolarHBondContact O-N 2.89Å; S229-R400 PolarHBondContact O-NH2 3.42Å
230T93.5Very high92.4Very high19 Ų1937.3 Ų37.312%0.11720%0.202CC..  trans-55.8151.3170.9-1730000111.1E152 D232 A333E152-T230 HydrophobicContact CG-CG2 3.76Å; E152-T230 VanDerWaalsContact OE2-CG2 3.25Å; E152-T230 WeakPolarHBondContact OE2-CG2 3.47Å; T230-D232 HydrophobicContact CG2-CB 4.26Å; T230-A333 VanDerWaalsContact OG1-CB 3.31Å; T230-A333 WeakPolarHBondContact OG1-CB 3.31Å
231F96.3Very high92.3Very high22 Ų2235.1 Ų35.110%0.09619%0.192CC..EExtended strand (participates in β ladder)trans-105.588.2162.9-180-143.6000107.9L193 H196 I233 V334 F336L193-F231 HydrophobicContact CD2-CE1 4.26Å; H196-F231 HydrophobicContact CB-CD1 4.39Å; H196-F231 HydrophobicContact CB-CE1 3.75Å; H196-F231 HydrophobicContact CB-CZ 4.15Å; H196-F231 AromaticContact CD2-CE1 3.94Å; H196-F231 AromaticContact CD2-CZ 3.5Å; H196-F231 VanDerWaalsContact CD2-CZ 3.5Å; H196-F231 WeakPolarHBondContact CD2-CZ 2.86Å; H196-F231 AromaticContact CG-CE1 3.71Å; H196-F231 AromaticContact CG-CZ 3.78Å; F231-I233 HydrophobicContact CD1-CD1 4.2Å; F231-I233 HydrophobicContact CD2-CG2 3.79Å; F231-I233 HydrophobicContact CE1-CD1 3.78Å; F231-I233 HydrophobicContact CE1-CG2 4.13Å; F231-I233 HydrophobicContact CE2-CG2 3.29Å; F231-I233 HydrophobicContact CG-CG2 4.4Å; F231-I233 HydrophobicContact CZ-CD1 4.1Å; F231-I233 HydrophobicContact CZ-CG2 3.49Å; F231-I233 VanDerWaalsContact CZ-CG2 3.49Å; F231-V334 HydrophobicContact CB-CB 4.11Å; F231-V334 HydrophobicContact CD1-CB 4.11Å; F231-V334 HydrophobicContact CD1-CG1 4.34Å; F231-V334 HydrophobicContact CG-CB 4.49Å; F231-V334 PolarHBondContact N-O 2.88Å; F231-V334 VanDerWaalsContact O-CB 3.31Å; F231-V334 WeakPolarHBondContact O-CB 3.41Å; F231-V334 PolarHBondContact O-N 3.45Å; F231-F336 HydrophobicContact CB-CE2 4.1Å; F231-F336 HydrophobicContact CD1-CE2 4.14Å; F231-F336 AromaticContact CD1-CZ 3.87Å; F231-F336 HydrophobicContact CD1-CZ 3.87Å
232D95.7Very high91.6Very high81 Ų8141.6 Ų41.643%0.43323%0.227SC..EExtended strand (participates in β ladder)trans-78.6117.2178.454.5-43000110.6T151 T230T151-D232 HydrophobicContact CG2-CB 3.74Å; T230-D232 HydrophobicContact CG2-CB 4.26Å
233I96.4Very high90.9Very high1 Ų140.9 Ų40.91%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-149.8161.2-178.856.4175.2000110.7L193 F231 V235 I238 Q332 V334 W614 E615L193-I233 HydrophobicContact CD2-CD1 3.6Å; F231-I233 HydrophobicContact CD1-CD1 4.2Å; F231-I233 HydrophobicContact CD2-CG2 3.79Å; F231-I233 HydrophobicContact CE1-CD1 3.78Å; F231-I233 HydrophobicContact CE1-CG2 4.13Å; F231-I233 HydrophobicContact CE2-CG2 3.29Å; F231-I233 HydrophobicContact CG-CG2 4.4Å; F231-I233 HydrophobicContact CZ-CD1 4.1Å; F231-I233 HydrophobicContact CZ-CG2 3.49Å; F231-I233 VanDerWaalsContact CZ-CG2 3.49Å; I233-V235 HydrophobicContact CD1-CG2 4.07Å; I233-V235 HydrophobicContact CG1-CG2 3.7Å; I233-V235 PolarHBondContact O-N 2.96Å; I233-I238 HydrophobicContact CD1-CD1 3.91Å; I233-Q332 PolarHBondContact N-O 3.4Å; I233-Q332 VanDerWaalsContact N-O 3.16Å; I233-Q332 PolarHBondContact O-N 2.89Å; I233-V334 HydrophobicContact CD1-CG2 3.97Å; I233-V334 HydrophobicContact CG1-CG2 4Å; I233-W614 HydrophobicContact CB-CH2 4.44Å; I233-W614 HydrophobicContact CD1-CH2 4.28Å; I233-E615 VanDerWaalsContact CA-OE2 3.28Å; I233-E615 WeakPolarHBondContact CA-OE2 3.43Å; I233-E615 WeakPolarHBondContact CB-OE2 3.31Å
234Q96.2Very high89.8Confident1 Ų146.5 Ų46.51%0.00525%0.25CS..  trans-71.876.5168.9-62-67.1-16.600110.8S236 E237 W326 R327 M331 E615Q234-S236 PolarHBondContact O-N 3Å; Q234-E237 HydrophobicContact CB-CB 4.46Å; Q234-E237 HydrophobicContact CB-CG 3.91Å; Q234-E237 WeakPolarHBondContact O-CB 3.48Å; Q234-E237 PolarHBondContact O-N 3.34Å; Q234-W326 HydrophobicContact CG-CZ2 4.24Å; Q234-R327 PolarHBondContact NE2-O 3.28Å; Q234-M331 HydrophobicContact CG-SD 4.16Å; Q234-E615 HydrophobicContact CB-CB 3.95Å; Q234-E615 HydrophobicContact CB-CG 4.41Å; Q234-E615 HydrophobicContact CG-CB 3.94Å; Q234-E615 WeakPolarHBondContact CG-O 3.33Å; Q234-E615 PolarHBondContact N-OE2 3.48Å
235V96.8Very high88.5Confident0 Ų053.1 Ų53.10%029%0.285CS..G310 helixtrans-59.1-21.2175.8178.80000111.8I233 E237 I238 L252 V296 P316 W318 Q332 V334I233-V235 HydrophobicContact CD1-CG2 4.07Å; I233-V235 HydrophobicContact CG1-CG2 3.7Å; I233-V235 PolarHBondContact O-N 2.96Å; V235-E237 PolarHBondContact O-N 2.89Å; V235-I238 HydrophobicContact CG1-CD1 4.39Å; V235-I238 WeakPolarHBondContact O-CB 3.16Å; V235-I238 PolarHBondContact O-N 3.18Å; V235-L252 HydrophobicContact CG1-CD2 3.78Å; V235-V296 HydrophobicContact CB-CG1 4.3Å; V235-V296 HydrophobicContact CG1-CG1 3.85Å; V235-V296 HydrophobicContact CG1-CG2 4.01Å; V235-V296 HydrophobicContact CG2-CG1 4.17Å; V235-P316 HydrophobicContact CB-CB 4.45Å; V235-P316 HydrophobicContact CG1-CB 4.34Å; V235-W318 HydrophobicContact CG1-CZ2 3.98Å; V235-W318 PolarHBondContact O-NE1 2.7Å; V235-Q332 HydrophobicContact CB-CB 3.86Å; V235-Q332 HydrophobicContact CB-CG 4.19Å; V235-Q332 HydrophobicContact CG2-CB 3.68Å; V235-Q332 VanDerWaalsContact N-OE1 3.12Å; V235-V334 HydrophobicContact CG2-CG2 3.71Å
236S95.3Very high87.4Confident22 Ų2253.5 Ų53.515%0.15429%0.286CS..G310 helixtrans-58.7-23.7169.3-63.60000114.3Q234 P316 S317 Q332Q234-S236 PolarHBondContact O-N 3Å; S236-P316 WeakPolarHBondContact OG-CA 3.33Å; S236-S317 PolarHBondContact O-OG 3.18Å; S236-S317 PolarHBondContact OG-N 3.46Å; S236-Q332 PolarHBondContact OG-OE1 2.66Å
237E94.5Very high85.8Confident56 Ų5657.3 Ų57.326%0.26231%0.313SS..G310 helixtrans-92.63.9176-56.7-55.7136.200112.9Q234 V235 E615 P617Q234-E237 HydrophobicContact CB-CB 4.46Å; Q234-E237 HydrophobicContact CB-CG 3.91Å; Q234-E237 WeakPolarHBondContact O-CB 3.48Å; Q234-E237 PolarHBondContact O-N 3.34Å; V235-E237 PolarHBondContact O-N 2.89Å; E237-E615 WeakPolarHBondContact CG-O 3.5Å; E237-P617 VanDerWaalsContact OE1-CG 3.23Å; E237-P617 WeakPolarHBondContact OE1-CG 3.02Å
238I94.9Very high84.7Confident2 Ų259.2 Ų59.21%0.0133%0.33CS..SBendtrans-95.3122.8169.2-54.7179.5000108F192 L193 I233 V235 L240 R250 L252 W614F192-I238 HydrophobicContact CD1-CD1 3.99Å; F192-I238 HydrophobicContact CD1-CG1 4.49Å; F192-I238 HydrophobicContact CE1-CD1 3.9Å; F192-I238 HydrophobicContact CE1-CG1 4.31Å; L193-I238 HydrophobicContact CD2-CD1 3.65Å; L193-I238 HydrophobicContact CG-CD1 4.22Å; I233-I238 HydrophobicContact CD1-CD1 3.91Å; V235-I238 HydrophobicContact CG1-CD1 4.39Å; V235-I238 WeakPolarHBondContact O-CB 3.16Å; V235-I238 PolarHBondContact O-N 3.18Å; I238-L240 PolarHBondContact O-N 2.85Å; I238-R250 VanDerWaalsContact CG2-C 3.47Å; I238-R250 WeakPolarHBondContact CG2-O 3.41Å; I238-L252 HydrophobicContact CB-CD2 3.99Å; I238-L252 HydrophobicContact CG2-CB 3.99Å; I238-L252 HydrophobicContact CG2-CD2 3.68Å; I238-L252 HydrophobicContact CG2-CG 3.81Å; I238-W614 HydrophobicContact CG1-CZ3 4.25Å
239Q91.3Very high84.7Confident119 Ų11959 Ų5956%0.55633%0.327SS*.EExtended strand (participates in β ladder)trans-69.2130.4-177.6-176.4177.9-4.900111.1E241 R250 Q251 L252Q239-E241 PolarHBondContact O-N 2.8Å; Q239-R250 WeakPolarHBondContact CB-O 3.05Å; Q239-R250 PolarHBondContact N-O 3.39Å; Q239-Q251 HydrophobicContact CB-CG 4.38Å; Q239-Q251 CarbonylContact O-C 3.51Å; Q239-Q251 VanDerWaalsContact O-CA 3.3Å; Q239-Q251 WeakPolarHBondContact O-CA 3.37Å; Q239-L252 PolarHBondContact O-N 2.63Å
240L91.1Very high84.8Confident62 Ų6258.7 Ų58.733%0.32532%0.316SS..EExtended strand (participates in β ladder)trans-71.8124.4166.5-174.167.7000109.1I238 L252 W318I238-L240 PolarHBondContact O-N 2.85Å; L240-L252 WeakPolarHBondContact CA-O 3.19Å; L240-L252 HydrophobicContact CD1-CD1 3.69Å; L240-W318 HydrophobicContact CB-CB 4.2Å; L240-W318 HydrophobicContact CD2-CB 4.3Å
241E85Confident84.8Confident30 Ų3059.2 Ų59.214%0.1432%0.317CS..  trans-107122.2178.1-174.958.8-124.400110.2Q239 S243 Q251 L252 R253Q239-E241 PolarHBondContact O-N 2.8Å; E241-S243 WeakPolarHBondContact OE1-CB 3.27Å; E241-S243 PolarHBondContact OE1-N 2.72Å; E241-S243 VanDerWaalsContact OE1-N 3.16Å; E241-S243 PolarHBondContact OE1-OG 3.41Å; E241-Q251 HydrophobicContact CB-CB 4.48Å; E241-Q251 PolarHBondContact OE2-NE2 2.97Å; E241-L252 PolarHBondContact N-O 3.17Å; E241-R253 WeakPolarHBondContact O-CG 3.33Å
242D76Confident84.7Confident142 Ų14258.1 Ų58.176%0.75931%0.313SS*.  trans-87.5-14176.8-67.1-31.2000112.3
243S72.6Confident84.7Confident65 Ų6555 Ų5546%0.45530%0.295SS..SBendtrans-74.3153.3178.2-53.40000112.1E241 L245E241-S243 WeakPolarHBondContact OE1-CB 3.27Å; E241-S243 PolarHBondContact OE1-N 2.72Å; E241-S243 VanDerWaalsContact OE1-N 3.16Å; E241-S243 PolarHBondContact OE1-OG 3.41Å; S243-L245 PolarHBondContact O-N 2.97Å; S243-L245 VanDerWaalsContact O-N 3.12Å
244Q64.7Low84.6Confident181 Ų18156 Ų5685%0.84630%0.302SS*.SBendtrans-64.9-14177.3-71.7-167.1-12.700114.5
245L65.1Low84.6Confident139 Ų13956 Ų5673%0.72830%0.301SS*.  trans-118.1108.7-176.9-75.7157.8000109.7S243 S247S243-L245 PolarHBondContact O-N 2.97Å; S243-L245 VanDerWaalsContact O-N 3.12Å; L245-S247 PolarHBondContact O-N 2.87Å
246V68.6Low84.6Confident20 Ų2056.2 Ų56.212%0.12130%0.303CS..  trans-83.295.2169.4-1750000107.6E189 Q251 R253E189-V246 HydrophobicContact CG-CG2 4.23Å; V246-Q251 HydrophobicContact CG1-CB 3.67Å; V246-R253 HydrophobicContact CG2-CB 3.93Å
247S60.7Low84.6Confident81 Ų8163.3 Ų63.357%0.56633%0.331SS*.  trans-125.586.6-175.968.60000111.6L245L245-S247 PolarHBondContact O-N 2.87Å
248C67.9Low84.7Confident96 Ų9664 Ų6465%0.64934%0.342SS*.SBend154.6-39.4110.461.90000112.4R710C248-R710 PolarHBondContact O-NH2 2.9Å
249D86Confident84.8Confident41 Ų4165.7 Ų65.722%0.21935%0.353CS..SBendtrans-151140-176.4-171.536.6000112.9F192 Q251 S709F192-D249 WeakPolarHBondContact CD2-OD1 3.36Å; D249-Q251 WeakPolarHBondContact O-CG 3.5Å; D249-Q251 PolarHBondContact O-N 2.98Å; D249-S709 PolarHBondContact OD1-OG 3.42Å; D249-S709 PolarHBondContact OD2-OG 3.44Å
250R91.6Very high85.1Confident53 Ų5364.9 Ų64.920%0.235%0.345CS..SBendtrans40.345.1178.9-62.1-171.1-64.8166.85.1114.9F192 I238 Q239 W614F192-R250 HydrophobicContact CD2-CG 4.37Å; F192-R250 HydrophobicContact CE1-CG 4.33Å; F192-R250 HydrophobicContact CE2-CG 4.07Å; F192-R250 HydrophobicContact CZ-CG 4.05Å; I238-R250 VanDerWaalsContact CG2-C 3.47Å; I238-R250 WeakPolarHBondContact CG2-O 3.41Å; Q239-R250 WeakPolarHBondContact CB-O 3.05Å; Q239-R250 PolarHBondContact N-O 3.39Å; R250-W614 HydrophobicContact CG-CE3 4.15Å; R250-W614 HydrophobicContact CG-CZ3 4.36Å; R250-W614 PolarHBondContact NH1-O 2.72Å
251Q93.7Very high85.4Confident29 Ų2965.1 Ų65.114%0.13635%0.352CS..EExtended strand (participates in β ladder)trans-122.4146.1173.5-72.4176.6-23.500111.1S190 Q239 E241 V246 D249S190-Q251 WeakPolarHBondContact CB-O 3.39Å; S190-Q251 PolarHBondContact OG-O 3.48Å; Q239-Q251 HydrophobicContact CB-CG 4.38Å; Q239-Q251 CarbonylContact O-C 3.51Å; Q239-Q251 VanDerWaalsContact O-CA 3.3Å; Q239-Q251 WeakPolarHBondContact O-CA 3.37Å; E241-Q251 HydrophobicContact CB-CB 4.48Å; E241-Q251 PolarHBondContact OE2-NE2 2.97Å; V246-Q251 HydrophobicContact CG1-CB 3.67Å; D249-Q251 WeakPolarHBondContact O-CG 3.5Å; D249-Q251 PolarHBondContact O-N 2.98Å
252L95Very high86Confident0 Ų064.1 Ų64.10%035%0.348CS..EExtended strand (participates in β ladder)trans-140.7157170.366.980.6000110.9V188 E189 V235 I238 Q239 L240 E241 W318V188-L252 HydrophobicContact CB-CB 4.46Å; V188-L252 HydrophobicContact CG1-CD1 4.17Å; E189-L252 CarbonylContact O-C 3.41Å; E189-L252 VanDerWaalsContact O-CA 3.3Å; E189-L252 WeakPolarHBondContact O-CA 3.44Å; V235-L252 HydrophobicContact CG1-CD2 3.78Å; I238-L252 HydrophobicContact CB-CD2 3.99Å; I238-L252 HydrophobicContact CG2-CB 3.99Å; I238-L252 HydrophobicContact CG2-CD2 3.68Å; I238-L252 HydrophobicContact CG2-CG 3.81Å; Q239-L252 PolarHBondContact O-N 2.63Å; L240-L252 WeakPolarHBondContact CA-O 3.19Å; L240-L252 HydrophobicContact CD1-CD1 3.69Å; E241-L252 PolarHBondContact N-O 3.17Å; L252-W318 HydrophobicContact CD1-CZ2 4.35Å; L252-W318 HydrophobicContact CD2-CZ2 4.26Å
253R94.1Very high87Confident15 Ų1559.1 Ų59.16%0.05732%0.319CS..EExtended strand (participates in β ladder)trans-128134.6170-172.9169.662.195.30.6110.2V188 E189 E241 V246 E288 S289V188-R253 CarbonylContact C-O 3.42Å; V188-R253 VanDerWaalsContact CA-O 3.27Å; V188-R253 WeakPolarHBondContact CA-O 3.39Å; E189-R253 HydrophobicContact CB-CB 4.5Å; E189-R253 PolarHBondContact N-O 3.32Å; E189-R253 PolarHBondContact O-N 2.93Å; E189-R253 IonicContact OE2-CZ 3.36Å; E189-R253 IonicContact OE2-NE 2.63Å; E189-R253 IonicContact OE2-NH2 3.06Å; E189-R253 PolarHBondContact OE2-NH2 3.14Å; E241-R253 WeakPolarHBondContact O-CG 3.33Å; V246-R253 HydrophobicContact CG2-CB 3.93Å; R253-E288 IonicContact CZ-OE2 3.25Å; R253-E288 IonicContact NH1-OE2 2.78Å; R253-E288 PolarHBondContact NH1-OE2 3.2Å; R253-S289 PolarHBondContact NH1-O 3.43Å; R253-S289 PolarHBondContact NH2-O 2.87Å
254C95.7Very high88.2Confident22 Ų2261 Ų6115%0.14932%0.316CS..EExtended strand (participates in β ladder)trans-77.7124.9177.8-68.80000110.5Q186Q186-C254 HydrophobicContact CG-CB 4.11Å; Q186-C254 VanDerWaalsContact CG-SG 3.59Å
255L96Very high89.8Confident0 Ų052.9 Ų52.90%028%0.278CS..SBendtrans-89.6-14.4177.4-58-175000112.7V187 E189 F287 A292 L343V187-L255 HydrophobicContact CB-CB 4.48Å; V187-L255 HydrophobicContact CG1-CB 4.42Å; V187-L255 HydrophobicContact CG1-CD1 4.21Å; V187-L255 PolarHBondContact O-N 3.25Å; E189-L255 HydrophobicContact CB-CD1 4.42Å; E189-L255 HydrophobicContact CB-CD2 4.07Å; E189-L255 HydrophobicContact CB-CG 4.39Å; L255-F287 PolarHBondContact O-N 3.4Å; L255-A292 HydrophobicContact CD1-CB 4.05Å; L255-L343 HydrophobicContact CD1-CD1 4.1Å
256L96.9Very high91.2Very high5 Ų549.7 Ų49.73%0.02626%0.262CS..SBendtrans-105.4143170.4-44.5-179.4000110.3Q186 V187 S258 R260 C284 F349Q186-L256 PolarHBondContact NE2-O 3.28Å; Q186-L256 VanDerWaalsContact NE2-O 3.09Å; Q186-L256 VanDerWaalsContact OE1-CG 3.31Å; V187-L256 HydrophobicContact CB-CD1 4.35Å; V187-L256 HydrophobicContact CB-CG 4.1Å; V187-L256 HydrophobicContact CG2-CD1 3.87Å; V187-L256 HydrophobicContact CG2-CD2 4.45Å; V187-L256 HydrophobicContact CG2-CG 4.12Å; L256-S258 PolarHBondContact O-N 3.02Å; L256-R260 HydrophobicContact CD1-CG 3.43Å; L256-R260 VanDerWaalsContact CD1-CG 3.43Å; L256-C284 HydrophobicContact CD1-CB 4.45Å; L256-C284 HydrophobicContact CD2-CB 4.05Å; L256-F349 HydrophobicContact CD2-CE1 3.96Å; L256-F349 HydrophobicContact CD2-CZ 3.85Å
257K95.2Very high92.5Very high171 Ų17148.8 Ų48.874%0.74326%0.256SS*.SBendtrans-57.8-37.3-179.9-176.5177.7177.9-178.90112.3F287K257-F287 HydrophobicContact CB-CB 3.85Å; K257-F287 HydrophobicContact CB-CD1 4.3Å; K257-F287 HydrophobicContact CB-CD2 3.75Å; K257-F287 HydrophobicContact CB-CE2 4.41Å; K257-F287 HydrophobicContact CB-CG 3.69Å; K257-F287 HydrophobicContact CD-CD2 4.25Å; K257-F287 HydrophobicContact CD-CE2 4.33Å; K257-F287 HydrophobicContact CG-CD2 4.02Å; K257-F287 HydrophobicContact CG-CE2 4.19Å; K257-F287 HydrophobicContact CG-CG 4.3Å
258S95.8Very high94Very high71 Ų7145.9 Ų45.950%0.49724%0.239SC..SBendtrans-144.9155.5176.760.90000108.8L256L256-S258 PolarHBondContact O-N 3.02Å
259P97.3Very high95.2Very high37 Ų3742.8 Ų42.824%0.2422%0.217CC..PPolyproline II helixtrans-55.4145.2174.4-23.934.9000111.8L185 W298 V319L185-P259 CarbonylContact O-C 3.54Å; L185-P259 WeakPolarHBondContact O-CA 3.38Å; P259-W298 HydrophobicContact CB-CH2 3.5Å; P259-W298 HydrophobicContact CB-CZ2 3.53Å; P259-W298 HydrophobicContact CG-CH2 3.47Å; P259-W298 VanDerWaalsContact CG-CH2 3.47Å; P259-W298 HydrophobicContact CG-CZ2 3.51Å; P259-V319 HydrophobicContact CG-CG1 4.36Å; P259-V319 HydrophobicContact CG-CG2 4.34Å
260R97.5Very high95.7Very high103 Ų10344.4 Ų44.439%0.38923%0.23SC..EExtended strand (participates in β ladder)trans-92.5136175.6-64.7-68.8-73.5149.5-5.3109.9Y184 L185 L256 V262 E283Y184-R260 CarbonylContact C-O 3.58Å; Y184-R260 VanDerWaalsContact CA-O 3.27Å; Y184-R260 WeakPolarHBondContact CA-O 3.44Å; L185-R260 PolarHBondContact N-O 3.29Å; L185-R260 PolarHBondContact O-N 2.95Å; L256-R260 HydrophobicContact CD1-CG 3.43Å; L256-R260 VanDerWaalsContact CD1-CG 3.43Å; R260-V262 PolarHBondContact O-N 2.89Å; R260-E283 PolarHBondContact NE-O 2.85Å; R260-E283 PolarHBondContact NH2-O 2.96Å
261S97.9Very high95.9Very high67 Ų6742.6 Ų42.647%0.46923%0.226SC..EExtended strand (participates in β ladder)trans-73.9118.6167.1-57.30000109.1
262V97.9Very high95.9Very high9 Ų948.3 Ų48.36%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-88.3-66.2-175.6174.70000110V183 L185 R260 L280 L282 Y353 F362V183-V262 HydrophobicContact CB-CB 4.2Å; V183-V262 HydrophobicContact CG1-CB 4Å; V183-V262 HydrophobicContact CG1-CG1 4.35Å; V183-V262 HydrophobicContact CG1-CG2 4.27Å; V183-V262 PolarHBondContact O-N 3.01Å; L185-V262 HydrophobicContact CB-CG2 3.37Å; L185-V262 HydrophobicContact CD1-CG2 4.41Å; R260-V262 PolarHBondContact O-N 2.89Å; V262-L280 WeakPolarHBondContact O-CD1 3.42Å; V262-L282 HydrophobicContact CB-CD1 4.07Å; V262-L282 HydrophobicContact CG1-CD1 3.99Å; V262-L282 HydrophobicContact CG2-CD1 3.82Å; V262-Y353 HydrophobicContact CG1-CD1 3.94Å; V262-Y353 HydrophobicContact CG1-CD2 3.54Å; V262-Y353 HydrophobicContact CG1-CE1 4.3Å; V262-Y353 HydrophobicContact CG1-CE2 3.92Å; V262-Y353 HydrophobicContact CG1-CG 3.52Å; V262-F362 HydrophobicContact CG1-CE1 3.92Å; V262-F362 HydrophobicContact CG1-CZ 4.46Å; V262-F362 HydrophobicContact CG2-CE1 4.28Å
263K97.1Very high95.8Very high36 Ų3653.4 Ų53.416%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-144.2134.5-171.8178.367.9-177.4-177.10110Q182 V183 F265 D278 L280 Y353Q182-K263 PolarHBondContact NE2-O 3.44Å; Q182-K263 VanDerWaalsContact NE2-O 3.1Å; V183-K263 PolarHBondContact N-O 3.03Å; K263-F265 HydrophobicContact CB-CE2 4.08Å; K263-F265 HydrophobicContact CG-CD2 3.96Å; K263-F265 HydrophobicContact CG-CE1 4.32Å; K263-F265 HydrophobicContact CG-CE2 3.54Å; K263-F265 HydrophobicContact CG-CZ 3.76Å; K263-D278 IonicContact NZ-OD2 3.51Å; K263-D278 PolarHBondContact NZ-OD2 3.44Å; K263-L280 HydrophobicContact CB-CD1 4.27Å; K263-L280 HydrophobicContact CD-CD1 3.68Å; K263-Y353 HydrophobicContact CB-CD1 4.47Å; K263-Y353 HydrophobicContact CB-CE1 3.74Å; K263-Y353 HydrophobicContact CD-CE1 4.32Å; K263-Y353 HydrophobicContact CG-CE1 3.98Å
264R97.2Very high95.9Very high105 Ų10553 Ų5340%0.39628%0.284SS..EExtended strand (participates in β ladder)trans-98.2126.3166.5-172.7176.6170.189.9-1.4109.5A180 A181 N266A180-R264 VanDerWaalsContact CB-NH2 3.29Å; A181-R264 CarbonylContact O-C 3.41Å; A181-R264 WeakPolarHBondContact O-CA 3.47Å; R264-N266 PolarHBondContact NE-OD1 2.95Å
265F97.6Very high95.9Very high11 Ų1156.8 Ų56.85%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-99.3125.2170.3-66.8-90.4000108.5L153 I154 L159 A180 A181 V183 K263 F267 Y353 H355 M360L153-F265 HydrophobicContact CD2-CD2 3.64Å; L153-F265 HydrophobicContact CD2-CE2 3.94Å; L153-F265 HydrophobicContact CD2-CG 4.37Å; I154-F265 HydrophobicContact CG2-CE1 4.22Å; I154-F265 HydrophobicContact CG2-CZ 4.19Å; L159-F265 HydrophobicContact CD1-CD1 4.49Å; L159-F265 HydrophobicContact CD1-CE1 3.98Å; L159-F265 HydrophobicContact CD2-CD1 3.63Å; L159-F265 HydrophobicContact CD2-CE1 3.94Å; A180-F265 CarbonylContact C-O 3.43Å; A180-F265 WeakPolarHBondContact CA-O 3.49Å; A180-F265 WeakPolarHBondContact CB-O 3.47Å; A181-F265 HydrophobicContact CB-CB 4.35Å; A181-F265 PolarHBondContact N-O 2.93Å; A181-F265 PolarHBondContact O-N 3.48Å; V183-F265 HydrophobicContact CG2-CD2 4.2Å; V183-F265 HydrophobicContact CG2-CE2 3.77Å; K263-F265 HydrophobicContact CB-CE2 4.08Å; K263-F265 HydrophobicContact CG-CD2 3.96Å; K263-F265 HydrophobicContact CG-CE1 4.32Å; K263-F265 HydrophobicContact CG-CE2 3.54Å; K263-F265 HydrophobicContact CG-CZ 3.76Å; F265-F267 HydrophobicContact CB-CE1 3.84Å; F265-F267 HydrophobicContact CB-CZ 3.99Å; F265-Y353 WeakPolarHBondContact CZ-OH 3.26Å; F265-H355 AromaticContact CE1-CE1 3.75Å; F265-H355 AromaticContact CE1-NE2 3.94Å; F265-M360 HydrophobicContact CE2-CE 3.87Å; F265-M360 HydrophobicContact CZ-CE 3.92Å
266N96.2Very high95.9Very high72 Ų7258.4 Ų58.439%0.38531%0.306SS..EExtended strand (participates in β ladder)trans-107.1122.4171.1-58-73000106.9R264R264-N266 PolarHBondContact NE-OD1 2.95Å
267F95.5Very high95.8Very high1 Ų161.8 Ų61.80%0.00432%0.324CS..  trans-91.9-12.3-173.8-59.7-52.9000113.2F149 L159 Y162 L176 C179 A181 F265 I274 L301F149-F267 HydrophobicContact CE1-CE1 4.37Å; F149-F267 AromaticContact CE1-CE2 3.79Å; F149-F267 HydrophobicContact CE1-CE2 3.79Å; F149-F267 AromaticContact CE1-CZ 3.61Å; F149-F267 HydrophobicContact CE1-CZ 3.61Å; F149-F267 HydrophobicContact CZ-CD2 4.5Å; F149-F267 AromaticContact CZ-CE2 3.87Å; F149-F267 HydrophobicContact CZ-CE2 3.87Å; F149-F267 HydrophobicContact CZ-CZ 4.17Å; L159-F267 HydrophobicContact CD2-CE1 4.17Å; Y162-F267 HydrophobicContact CD1-CB 3.63Å; Y162-F267 HydrophobicContact CD1-CG 4.27Å; Y162-F267 HydrophobicContact CD2-CB 4.28Å; Y162-F267 AromaticContact CD2-CD1 3.79Å; Y162-F267 HydrophobicContact CD2-CD1 3.79Å; Y162-F267 HydrophobicContact CD2-CE1 4.34Å; Y162-F267 HydrophobicContact CD2-CG 4.07Å; Y162-F267 HydrophobicContact CE1-CB 3.85Å; Y162-F267 HydrophobicContact CE1-CG 4.29Å; Y162-F267 HydrophobicContact CE2-CD1 4.16Å; Y162-F267 HydrophobicContact CE2-CD2 4.45Å; Y162-F267 HydrophobicContact CE2-CG 4.14Å; Y162-F267 HydrophobicContact CG-CB 3.86Å; Y162-F267 HydrophobicContact CG-CD1 4.08Å; Y162-F267 HydrophobicContact CG-CG 4.15Å; L176-F267 HydrophobicContact CD2-CB 3.77Å; L176-F267 WeakPolarHBondContact CD2-O 3.35Å; C179-F267 PolarHBondContact O-N 3.29Å; A181-F267 HydrophobicContact CB-CE2 3.88Å; A181-F267 HydrophobicContact CB-CZ 3.82Å; F265-F267 HydrophobicContact CB-CE1 3.84Å; F265-F267 HydrophobicContact CB-CZ 3.99Å; F267-I274 WeakPolarHBondContact O-CD1 3.32Å; F267-L301 HydrophobicContact CE2-CD2 4.47Å
268G90.9Very high95.8Very high19 Ų1954.6 Ų54.620%0.19629%0.294CS..SBendtrans-74.9161.4-175.700000114.2
269P94.4Very high95.7Very high31 Ų3151.3 Ų51.320%0.20127%0.271CS..SBendtrans-55.3152.5169-22.732.3000113A166A166-P269 HydrophobicContact CB-CB 4.36Å; A166-P269 HydrophobicContact CB-CG 4.08Å
270P96.2Very high95.6Very high76 Ų7651.8 Ų51.849%0.49427%0.271SS..PPolyproline II helixcis-78.8153.7-0.731.8-34.8000112.9D272 L273P270-D272 PolarHBondContact O-N 3.03Å; P270-L273 HydrophobicContact CG-CD1 4.28Å; P270-L273 HydrophobicContact CG-CG 4.06Å; P270-L273 PolarHBondContact O-N 2.91Å
271A95.4Very high95.4Very high14 Ų1448.3 Ų48.312%0.11626%0.261CS..G310 helixtrans-53.5-28.3-17900000114.1R163 A166 K167 L273 I274R163-A271 HydrophobicContact CG-CB 3.84Å; A166-A271 HydrophobicContact CB-CB 4.1Å; K167-A271 HydrophobicContact CB-CB 4.2Å; A271-L273 PolarHBondContact O-N 2.81Å; A271-I274 WeakPolarHBondContact O-CB 3.1Å; A271-I274 PolarHBondContact O-N 2.85Å
272D94.2Very high95.2Very high149 Ų14946 Ų4680%0.79724%0.243SC*.G310 helixtrans-68.1-16.8-180-60.7-33.4000113.7P270 I274P270-D272 PolarHBondContact O-N 3.03Å; D272-I274 VanDerWaalsContact C-N 3.26Å
273L93.2Very high95.1Very high108 Ų10850.1 Ų50.157%0.56526%0.262SS*.G310 helixtrans-76.1-16.5171.9-63.5-176.2000112.6P270 A271 K275P270-L273 HydrophobicContact CG-CD1 4.28Å; P270-L273 HydrophobicContact CG-CG 4.06Å; P270-L273 PolarHBondContact O-N 2.91Å; A271-L273 PolarHBondContact O-N 2.81Å; L273-K275 PolarHBondContact O-N 3.07Å
274I96.3Very high95Very high7 Ų748.4 Ų48.44%0.03625%0.254CS..SBendtrans-92.887.1-179.5-50.7175.2000108.2L159 R163 F267 A271 D272 L276L159-I274 HydrophobicContact CB-CG2 4.26Å; L159-I274 HydrophobicContact CD2-CG2 4.3Å; L159-I274 WeakPolarHBondContact O-CG2 3.11Å; R163-I274 HydrophobicContact CB-CB 4.2Å; R163-I274 HydrophobicContact CB-CD1 4.31Å; R163-I274 HydrophobicContact CB-CG2 4.14Å; R163-I274 HydrophobicContact CG-CB 4.3Å; F267-I274 WeakPolarHBondContact O-CD1 3.32Å; A271-I274 WeakPolarHBondContact O-CB 3.1Å; A271-I274 PolarHBondContact O-N 2.85Å; D272-I274 VanDerWaalsContact C-N 3.26Å; I274-L276 PolarHBondContact O-N 3.36Å
275K95.1Very high94.9Very high101 Ų10147.1 Ų47.144%0.43926%0.258SS..  trans-70.3126.5175.7-67.6-175.8174.7-174.40110.4L273 N277 D278L273-K275 PolarHBondContact O-N 3.07Å; K275-N277 VanDerWaalsContact C-N 3.29Å; K275-D278 HydrophobicContact CD-CB 4.03Å; K275-D278 VanDerWaalsContact CD-CG 3.43Å; K275-D278 VanDerWaalsContact CD-OD2 3.28Å; K275-D278 WeakPolarHBondContact CD-OD2 3.13Å; K275-D278 IonicContact NZ-OD1 3.81Å; K275-D278 PolarHBondContact NZ-OD1 2.9Å; K275-D278 IonicContact NZ-OD2 3.83Å; K275-D278 PolarHBondContact NZ-OD2 3.1Å
276L95.6Very high94.9Very high33 Ų3346.7 Ų46.717%0.17326%0.256CS..SBendtrans-82-10.6173-61.3-173.7000112.8L159 E160 R163 I274 D356 S357L159-L276 HydrophobicContact CB-CD2 3.86Å; E160-L276 HydrophobicContact CG-CD1 4.12Å; E160-L276 HydrophobicContact CG-CD2 3.75Å; R163-L276 VanDerWaalsContact CZ-CD1 3.44Å; I274-L276 PolarHBondContact O-N 3.36Å; L276-D356 CarbonylContact O-C 3.57Å; L276-D356 VanDerWaalsContact O-CA 3.3Å; L276-D356 WeakPolarHBondContact O-CA 3.41Å; L276-S357 PolarHBondContact O-N 2.75Å
277N94.8Very high94.8Very high76 Ų7647.1 Ų47.141%0.40626%0.255SS..SBendtrans-151.8143.3171.451.215.4000109.5K275 H355 V381K275-N277 VanDerWaalsContact C-N 3.29Å; N277-H355 WeakPolarHBondContact CA-O 3.43Å; N277-V381 HydrophobicContact CB-CB 4.43Å; N277-V381 HydrophobicContact CB-CG1 4.31Å
278D94.9Very high94.6Very high20 Ų2050 Ų5011%0.10727%0.268CS..EExtended strand (participates in β ladder)trans-158.1158.2177.1-148.110.9000110.4K263 K275 H355K263-D278 IonicContact NZ-OD2 3.51Å; K263-D278 PolarHBondContact NZ-OD2 3.44Å; K275-D278 HydrophobicContact CD-CB 4.03Å; K275-D278 VanDerWaalsContact CD-CG 3.43Å; K275-D278 VanDerWaalsContact CD-OD2 3.28Å; K275-D278 WeakPolarHBondContact CD-OD2 3.13Å; K275-D278 IonicContact NZ-OD1 3.81Å; K275-D278 PolarHBondContact NZ-OD1 2.9Å; K275-D278 IonicContact NZ-OD2 3.83Å; K275-D278 PolarHBondContact NZ-OD2 3.1Å; D278-H355 WeakPolarHBondContact CB-NE2 3.4Å; D278-H355 PolarHBondContact N-O 3.13Å; D278-H355 VanDerWaalsContact N-O 3.12Å; D278-H355 PolarHBondContact O-N 3.44Å
279A94.7Very high94.8Very high2 Ų251.1 Ų51.12%0.01727%0.273CS..EExtended strand (participates in β ladder)trans-135135.517600000110.1Y353 L354 T376 V381A279-Y353 CarbonylContact C-O 3.58Å; A279-Y353 WeakPolarHBondContact CA-O 3.43Å; A279-L354 HydrophobicContact CB-CD2 3.55Å; A279-T376 HydrophobicContact CB-CG2 4.44Å; A279-T376 VanDerWaalsContact O-CB 3.31Å; A279-T376 WeakPolarHBondContact O-CB 3.3Å; A279-T376 PolarHBondContact O-OG1 3.2Å; A279-V381 HydrophobicContact CB-CG2 4.12Å
280L94.3Very high94.8Very high48 Ų4849.8 Ų49.825%0.25127%0.265SS..EExtended strand (participates in β ladder)trans-136.7135.4178-59.3173.2000109.8V262 K263 Y353V262-L280 WeakPolarHBondContact O-CD1 3.42Å; K263-L280 HydrophobicContact CB-CD1 4.27Å; K263-L280 HydrophobicContact CD-CD1 3.68Å; L280-Y353 HydrophobicContact CB-CD1 4.07Å; L280-Y353 HydrophobicContact CD1-CD1 4.03Å; L280-Y353 HydrophobicContact CD1-CE1 4.35Å; L280-Y353 HydrophobicContact CG-CD1 4.14Å; L280-Y353 PolarHBondContact N-O 2.95Å; L280-Y353 PolarHBondContact O-N 2.95Å
281D93.9Very high94.8Very high30 Ų3047.7 Ų47.716%0.1625%0.25CS..EExtended strand (participates in β ladder)trans-102.1117.8169-72-15.3000108.6M350 R352 P374 T376D281-M350 HydrophobicContact CB-CE 3.62Å; D281-R352 WeakPolarHBondContact OD1-CB 3.35Å; D281-R352 WeakPolarHBondContact OD1-CG 3.49Å; D281-R352 IonicContact OD1-CZ 2.92Å; D281-R352 IonicContact OD1-NE 3.78Å; D281-R352 PolarHBondContact OD1-NE 2.79Å; D281-R352 IonicContact OD1-NH2 3.62Å; D281-R352 IonicContact OD2-CZ 2.88Å; D281-R352 IonicContact OD2-NE 3.68Å; D281-R352 IonicContact OD2-NH2 3.73Å; D281-R352 PolarHBondContact OD2-NH2 3.43Å; D281-P374 HydrophobicContact CB-CB 4.42Å; D281-P374 HydrophobicContact CB-CG 4.27Å; D281-P374 WeakPolarHBondContact OD2-CB 3.25Å; D281-P374 WeakPolarHBondContact OD2-CG 3.45Å; D281-T376 HydrophobicContact CB-CG2 4.38Å
282L94.5Very high94.8Very high19 Ų1947 Ų4710%0.09925%0.245CC..EExtended strand (participates in β ladder)trans-98.5115-175.8-56.8173000110.3V262 C284 M350 V351V262-L282 HydrophobicContact CB-CD1 4.07Å; V262-L282 HydrophobicContact CG1-CD1 3.99Å; V262-L282 HydrophobicContact CG2-CD1 3.82Å; L282-C284 PolarHBondContact O-N 3.1Å; L282-M350 WeakPolarHBondContact O-CA 3.31Å; L282-V351 HydrophobicContact CB-CB 4.39Å; L282-V351 PolarHBondContact N-O 2.89Å; L282-V351 PolarHBondContact O-N 2.95Å
283E94.1Very high94.9Very high95 Ų9540.2 Ų40.244%0.44421%0.209SC..EExtended strand (participates in β ladder)trans-70.5125.7168.7-170177.9-176.600109.8R260 S348 M350R260-E283 PolarHBondContact NE-O 2.85Å; R260-E283 PolarHBondContact NH2-O 2.96Å; E283-S348 PolarHBondContact OE1-OG 3.29Å; E283-M350 WeakPolarHBondContact CA-SD 3.38Å; E283-M350 HydrophobicContact CB-CE 4.22Å; E283-M350 HydrophobicContact CB-SD 3.65Å; E283-M350 HydrophobicContact CG-SD 3.97Å
284C95.5Very high95.1Very high0 Ų035.1 Ų35.10%018%0.182CC..EExtended strand (participates in β ladder)trans-122.8145.1177.8-62.80000109.2L256 L282 S348 F349L256-C284 HydrophobicContact CD1-CB 4.45Å; L256-C284 HydrophobicContact CD2-CB 4.05Å; L282-C284 PolarHBondContact O-N 3.1Å; C284-S348 CarbonylContact O-C 3.49Å; C284-S348 WeakPolarHBondContact O-CA 3.49Å; C284-F349 HydrophobicContact CB-CD1 4.08Å; C284-F349 HydrophobicContact CB-CD2 4.32Å; C284-F349 HydrophobicContact CB-CE1 3.59Å; C284-F349 HydrophobicContact CB-CE2 3.88Å; C284-F349 HydrophobicContact CB-CG 4.43Å; C284-F349 HydrophobicContact CB-CZ 3.49Å; C284-F349 VanDerWaalsContact CB-CZ 3.49Å; C284-F349 PolarHBondContact N-O 2.93Å; C284-F349 WeakPolarHBondContact O-CD1 3.38Å; C284-F349 PolarHBondContact O-N 3.48Å
285T96.2Very high95.2Very high77 Ų7734.9 Ų34.947%0.47218%0.181SC..EExtended strand (participates in β ladder)trans-115.1124.9174.1-52.80000109F287T285-F287 PolarHBondContact O-N 2.81Å
286T96.7Very high95.4Very high2 Ų230 Ų301%0.01216%0.16CC..  trans-67.3121.6-178.7-51.60000110.1E288 L343 I344 N346 E347 F349T286-E288 WeakPolarHBondContact CG2-O 3.41Å; T286-L343 HydrophobicContact CG2-CB 3.77Å; T286-I344 WeakPolarHBondContact CB-O 3.31Å; T286-N346 WeakPolarHBondContact O-CA 3.22Å; T286-N346 PolarHBondContact O-N 3.11Å; T286-E347 PolarHBondContact N-O 3.49Å; T286-E347 PolarHBondContact OG1-O 2.87Å; T286-E347 VanDerWaalsContact OG1-O 3.1Å; T286-F349 WeakPolarHBondContact OG1-CD1 3.38Å; T286-F349 WeakPolarHBondContact OG1-CE1 3.31Å
287F95.2Very high95.5Very high82 Ų8228.7 Ų28.736%0.3615%0.153SC..SBendtrans-82.5-38.5177.6173.1-117000112.1L255 K257 T285 K345L255-F287 PolarHBondContact O-N 3.4Å; K257-F287 HydrophobicContact CB-CB 3.85Å; K257-F287 HydrophobicContact CB-CD1 4.3Å; K257-F287 HydrophobicContact CB-CD2 3.75Å; K257-F287 HydrophobicContact CB-CE2 4.41Å; K257-F287 HydrophobicContact CB-CG 3.69Å; K257-F287 HydrophobicContact CD-CD2 4.25Å; K257-F287 HydrophobicContact CD-CE2 4.33Å; K257-F287 HydrophobicContact CG-CD2 4.02Å; K257-F287 HydrophobicContact CG-CE2 4.19Å; K257-F287 HydrophobicContact CG-CG 4.3Å; T285-F287 PolarHBondContact O-N 2.81Å; F287-K345 WeakPolarHBondContact O-CD 3.13Å; F287-K345 WeakPolarHBondContact O-CE 3.5Å; F287-K345 WeakPolarHBondContact O-CG 3.21Å
288E91.3Very high95.7Very high62 Ų6225.3 Ų25.329%0.2914%0.135SC..SBendtrans-136.1139.7175.4-65.3-169.3161.400110.3R253 T286R253-E288 IonicContact CZ-OE2 3.25Å; R253-E288 IonicContact NH1-OE2 2.78Å; R253-E288 PolarHBondContact NH1-OE2 3.2Å; T286-E288 WeakPolarHBondContact CG2-O 3.41Å
289S94.7Very high95.9Very high42 Ų4224.6 Ų24.629%0.29413%0.13SC..  trans-61.1142.2175.6-52.80000109.9R253 L343 K345R253-S289 PolarHBondContact NH1-O 3.43Å; R253-S289 PolarHBondContact NH2-O 2.87Å; S289-L343 CarbonylContact C-O 3.58Å; S289-L343 WeakPolarHBondContact CA-O 3.43Å; S289-K345 WeakPolarHBondContact OG-CB 3.39Å; S289-K345 PolarHBondContact OG-N 2.81Å
290G94.5Very high96Very high3 Ų325 Ų253%0.03113%0.133CC..EExtended strand (participates in β ladder)trans170.1172.4-179.100000112.1L343G290-L343 PolarHBondContact N-O 3.41Å; G290-L343 PolarHBondContact O-N 3.4Å
291T95.2Very high96.2Very high31 Ų3122.7 Ų22.719%0.1912%0.121CC..EExtended strand (participates in β ladder)trans-92.8116.2-179.7-54.60000110.8E189 H293 A340 H341E189-T291 VanDerWaalsContact CA-O 3.22Å; E189-T291 WeakPolarHBondContact CA-O 3.19Å; E189-T291 VanDerWaalsContact CB-O 3.24Å; E189-T291 WeakPolarHBondContact CB-O 3.27Å; E189-T291 PolarHBondContact OE1-N 2.98Å; T291-H293 VanDerWaalsContact CB-CE1 3.5Å; T291-H293 WeakPolarHBondContact CB-CE1 3.44Å; T291-H293 WeakPolarHBondContact CG2-NE2 3.48Å; T291-H293 PolarHBondContact O-N 3.27Å; T291-H293 PolarHBondContact O-ND1 2.78Å; T291-H293 VanDerWaalsContact O-ND1 3.07Å; T291-A340 HydrophobicContact CG2-CB 3.66Å; T291-H341 CarbonylContact C-O 3.59Å; T291-H341 WeakPolarHBondContact CA-O 3.22Å
292A96.6Very high96.4Very high1 Ų122.3 Ų22.31%0.00812%0.118CC..EExtended strand (participates in β ladder)trans-69.296.6172.700000109.8V187 L255 H341 L343 I364V187-A292 HydrophobicContact CG1-CB 3.53Å; L255-A292 HydrophobicContact CD1-CB 4.05Å; A292-H341 HydrophobicContact CB-CB 4.49Å; A292-H341 PolarHBondContact N-O 2.86Å; A292-H341 PolarHBondContact O-N 2.81Å; A292-L343 HydrophobicContact CB-CD1 3.82Å; A292-L343 HydrophobicContact CB-CG 4.17Å; A292-I364 HydrophobicContact CB-CD1 3.6Å
293H96.2Very high96.6Very high6 Ų621.4 Ų21.43%0.02811%0.113CC..  trans-92.1-33.9-178.9-71.4113.6000112.3V188 E189 S190 Q191 W194 T291 P337V188-H293 PolarHBondContact O-N 2.88Å; E189-H293 IonicContact OE1-CE1 3.97Å; S190-H293 PolarHBondContact N-ND1 3.45Å; Q191-H293 PolarHBondContact NE2-CE1 3.06Å; Q191-H293 PolarHBondContact NE2-NE2 3.5Å; W194-H293 HydrophobicContact CB-CB 4.01Å; W194-H293 AromaticContact CD1-CD2 3.64Å; W194-H293 HydrophobicContact CD2-CB 4.44Å; W194-H293 AromaticContact CD2-CD2 3.81Å; W194-H293 HydrophobicContact CE3-CB 4.28Å; W194-H293 HydrophobicContact CG-CB 4.36Å; W194-H293 AromaticContact CG-CD2 3.43Å; W194-H293 VanDerWaalsContact CG-CD2 3.43Å; W194-H293 VanDerWaalsContact CZ3-O 3.31Å; W194-H293 WeakPolarHBondContact CZ3-O 3.25Å; T291-H293 VanDerWaalsContact CB-CE1 3.5Å; T291-H293 WeakPolarHBondContact CB-CE1 3.44Å; T291-H293 WeakPolarHBondContact CG2-NE2 3.48Å; T291-H293 PolarHBondContact O-N 3.27Å; T291-H293 PolarHBondContact O-ND1 2.78Å; T291-H293 VanDerWaalsContact O-ND1 3.07Å; H293-P337 WeakPolarHBondContact O-CD 3.39Å
294A97.4Very high96.6Very high1 Ų116.9 Ų16.91%0.0089%0.092CC..EExtended strand (participates in β ladder)trans-153.7164.7-175.500000111.5V188 L193 V334 Y335 F336V188-A294 HydrophobicContact CG2-CB 3.99Å; V188-A294 WeakPolarHBondContact CG2-O 3.12Å; V188-A294 PolarHBondContact N-O 3.27Å; V188-A294 PolarHBondContact O-N 3.03Å; L193-A294 HydrophobicContact CB-CB 4.18Å; L193-A294 HydrophobicContact CD1-CB 4Å; A294-V334 HydrophobicContact CB-CG1 3.86Å; A294-Y335 CarbonylContact C-O 3.57Å; A294-Y335 WeakPolarHBondContact CA-O 3.48Å; A294-F336 HydrophobicContact CB-CD1 3.98Å; A294-F336 HydrophobicContact CB-CE1 4.01Å
295F98Very high96.5Very high1 Ų120.3 Ų20.30%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-109.3125.5168-52.9-69.1000108.3L185 Q186 V187 V297 V334 Y335 P337 V351 F362 I364L185-F295 HydrophobicContact CD1-CB 3.88Å; L185-F295 HydrophobicContact CD1-CD1 3.8Å; L185-F295 HydrophobicContact CD1-CG 3.97Å; L185-F295 HydrophobicContact CD2-CD1 4.03Å; L185-F295 HydrophobicContact CG-CB 4.18Å; L185-F295 HydrophobicContact CG-CD1 4.19Å; Q186-F295 WeakPolarHBondContact O-CA 3.46Å; V187-F295 HydrophobicContact CG1-CE1 4.49Å; V187-F295 HydrophobicContact CG2-CD1 3.93Å; V187-F295 HydrophobicContact CG2-CE1 3.95Å; F295-V297 HydrophobicContact CB-CG2 4.22Å; F295-V334 WeakPolarHBondContact O-CA 3.45Å; F295-Y335 PolarHBondContact N-O 3.1Å; F295-Y335 PolarHBondContact O-N 2.99Å; F295-P337 HydrophobicContact CE2-CB 3.96Å; F295-P337 HydrophobicContact CE2-CG 4.39Å; F295-P337 HydrophobicContact CZ-CB 4.22Å; F295-V351 HydrophobicContact CE1-CG1 3.92Å; F295-V351 HydrophobicContact CE1-CG2 4.01Å; F295-V351 HydrophobicContact CZ-CG1 4.04Å; F295-F362 HydrophobicContact CD2-CB 3.51Å; F295-F362 HydrophobicContact CD2-CG 4.43Å; F295-F362 HydrophobicContact CE2-CB 3.63Å; F295-F362 HydrophobicContact CG-CB 4.17Å; F295-F362 HydrophobicContact CZ-CB 4.38Å; F295-I364 HydrophobicContact CE1-CD1 4.38Å; F295-I364 HydrophobicContact CE1-CG1 4.11Å; F295-I364 HydrophobicContact CZ-CD1 4.21Å; F295-I364 HydrophobicContact CZ-CG1 3.6Å
296V98.5Very high96.4Very high0 Ų019.8 Ų19.80%011%0.111CC..EExtended strand (participates in β ladder)trans-94.9122.7166.5178.90000107.2L185 Q186 V188 L193 V235 W298 P316 W318 Q332L185-V296 CarbonylContact C-O 3.46Å; L185-V296 WeakPolarHBondContact CA-O 3.19Å; Q186-V296 PolarHBondContact N-O 3.22Å; Q186-V296 PolarHBondContact O-N 2.82Å; V188-V296 HydrophobicContact CG1-CG2 3.96Å; V188-V296 HydrophobicContact CG2-CG2 3.9Å; L193-V296 HydrophobicContact CD1-CG2 4.46Å; V235-V296 HydrophobicContact CB-CG1 4.3Å; V235-V296 HydrophobicContact CG1-CG1 3.85Å; V235-V296 HydrophobicContact CG1-CG2 4.01Å; V235-V296 HydrophobicContact CG2-CG1 4.17Å; V296-W298 HydrophobicContact CB-CZ3 4.45Å; V296-W298 HydrophobicContact CG1-CE3 4.02Å; V296-W298 HydrophobicContact CG1-CZ3 4.04Å; V296-W298 WeakPolarHBondContact O-CZ3 3.49Å; V296-P316 HydrophobicContact CG1-CG 4.29Å; V296-W318 HydrophobicContact CG1-CH2 4.49Å; V296-W318 HydrophobicContact CG1-CZ2 4.16Å; V296-Q332 HydrophobicContact CG1-CB 4.31Å
297V98.5Very high96.2Very high5 Ų524.6 Ų24.63%0.0314%0.137CC..EExtended strand (participates in β ladder)trans-124.2138.7-173.7179.90000109.3V183 Y184 L185 F295 A333 Y335 F362V183-V297 HydrophobicContact CG1-CG1 3.66Å; Y184-V297 WeakPolarHBondContact O-CA 3.24Å; Y184-V297 WeakPolarHBondContact O-CG1 3.16Å; L185-V297 HydrophobicContact CB-CG2 4.26Å; L185-V297 HydrophobicContact CD1-CG2 4.06Å; L185-V297 HydrophobicContact CG-CG2 4.21Å; F295-V297 HydrophobicContact CB-CG2 4.22Å; V297-A333 HydrophobicContact CB-CB 4.28Å; V297-A333 PolarHBondContact N-O 3.14Å; V297-A333 PolarHBondContact O-N 3.29Å; V297-Y335 HydrophobicContact CB-CD2 4.13Å; V297-Y335 HydrophobicContact CB-CE2 4Å; V297-Y335 HydrophobicContact CG1-CE2 4.34Å; V297-Y335 HydrophobicContact CG2-CD2 3.72Å; V297-Y335 HydrophobicContact CG2-CE2 4.03Å; V297-F362 HydrophobicContact CG1-CE2 4.31Å; V297-F362 HydrophobicContact CG1-CZ 3.99Å; V297-F362 HydrophobicContact CG2-CD2 4.33Å; V297-F362 HydrophobicContact CG2-CE1 4.27Å; V297-F362 HydrophobicContact CG2-CE2 3.87Å; V297-F362 HydrophobicContact CG2-CZ 3.82Å
298W98.4Very high96.2Very high5 Ų524.8 Ų24.82%0.01915%0.145CC..EExtended strand (participates in β ladder)trans-154.5175.9176.469.392.3000109.1Y184 Q186 P259 V296 V314 A315 P316 W318 V319 Q332Y184-W298 AromaticContact CD2-CD1 3.9Å; Y184-W298 AromaticContact CD2-NE1 3.63Å; Y184-W298 HydrophobicContact CG-CZ2 4.49Å; Y184-W298 AromaticContact CG-NE1 3.82Å; Y184-W298 PolarHBondContact N-O 2.93Å; Y184-W298 PolarHBondContact O-N 2.89Å; Y184-W298 VanDerWaalsContact O-N 3.15Å; Q186-W298 HydrophobicContact CB-CH2 4.02Å; Q186-W298 HydrophobicContact CB-CZ3 3.91Å; P259-W298 HydrophobicContact CB-CH2 3.5Å; P259-W298 HydrophobicContact CB-CZ2 3.53Å; P259-W298 HydrophobicContact CG-CH2 3.47Å; P259-W298 VanDerWaalsContact CG-CH2 3.47Å; P259-W298 HydrophobicContact CG-CZ2 3.51Å; V296-W298 HydrophobicContact CB-CZ3 4.45Å; V296-W298 HydrophobicContact CG1-CE3 4.02Å; V296-W298 HydrophobicContact CG1-CZ3 4.04Å; V296-W298 WeakPolarHBondContact O-CZ3 3.49Å; W298-V314 HydrophobicContact CB-CG2 4.06Å; W298-A315 HydrophobicContact CG-CB 4.29Å; W298-P316 HydrophobicContact CE3-CG 4.19Å; W298-P316 HydrophobicContact CZ3-CG 4.22Å; W298-W318 HydrophobicContact CH2-CH2 4.35Å; W298-W318 HydrophobicContact CZ3-CH2 4.26Å; W298-V319 HydrophobicContact CH2-CG2 3.73Å; W298-V319 HydrophobicContact CZ2-CG1 4.26Å; W298-V319 HydrophobicContact CZ2-CG2 3.63Å; W298-Q332 HydrophobicContact CB-CG 4.41Å
299W98.5Very high96.5Very high4 Ų422.2 Ų22.22%0.01513%0.134CC..EExtended strand (participates in β ladder)trans-139.2167.2-178.748.6-97.6000113.2F149 D150 T151 L153 Q182 V183 L301 V314 W330F149-W299 HydrophobicContact CB-CH2 4.21Å; F149-W299 HydrophobicContact CB-CZ2 4.19Å; D150-W299 VanDerWaalsContact O-CZ2 3.25Å; D150-W299 WeakPolarHBondContact O-CZ2 3.34Å; D150-W299 PolarHBondContact O-NE1 3.16Å; D150-W299 VanDerWaalsContact O-NE1 3.14Å; T151-W299 PolarHBondContact O-NE1 3.33Å; T151-W299 VanDerWaalsContact O-NE1 3.1Å; L153-W299 HydrophobicContact CB-CD2 4.33Å; L153-W299 HydrophobicContact CB-CG 3.94Å; L153-W299 HydrophobicContact CD1-CD2 3.86Å; L153-W299 HydrophobicContact CD1-CE3 4.19Å; L153-W299 HydrophobicContact CD1-CG 4.1Å; L153-W299 HydrophobicContact CD2-CB 4.48Å; L153-W299 HydrophobicContact CG-CG 4.42Å; Q182-W299 CarbonylContact O-C 3.51Å; Q182-W299 WeakPolarHBondContact O-CA 3.47Å; Q182-W299 WeakPolarHBondContact O-CB 3.46Å; V183-W299 HydrophobicContact CG2-CB 4.34Å; W299-L301 HydrophobicContact CE3-CD1 4.37Å; W299-L301 HydrophobicContact CE3-CD2 4.22Å; W299-L301 HydrophobicContact CE3-CG 3.8Å; W299-L301 HydrophobicContact CH2-CD1 4.01Å; W299-L301 HydrophobicContact CH2-CG 4.33Å; W299-L301 HydrophobicContact CZ3-CD1 3.5Å; W299-L301 VanDerWaalsContact CZ3-CD1 3.5Å; W299-L301 HydrophobicContact CZ3-CD2 4.13Å; W299-L301 HydrophobicContact CZ3-CG 3.41Å; W299-L301 VanDerWaalsContact CZ3-CG 3.41Å; W299-V314 HydrophobicContact CD2-CG2 3.66Å; W299-V314 HydrophobicContact CE3-CG2 3.96Å; W299-V314 HydrophobicContact CG-CG2 3.95Å; W299-V314 HydrophobicContact CH2-CG1 4.19Å; W299-V314 HydrophobicContact CZ2-CG1 4.37Å; W299-V314 HydrophobicContact CZ2-CG2 4.34Å; W299-V314 HydrophobicContact CZ3-CG1 4.26Å; W299-V314 HydrophobicContact CZ3-CG2 4.38Å; W299-V314 WeakPolarHBondContact O-CG2 3.43Å; W299-V314 PolarHBondContact O-N 2.84Å; W299-V314 VanDerWaalsContact O-N 3.17Å; W299-W330 AromaticContact CH2-CD2 3.52Å; W299-W330 HydrophobicContact CH2-CD2 3.52Å; W299-W330 AromaticContact CH2-CE2 3.86Å; W299-W330 AromaticContact CH2-CE3 3.48Å; W299-W330 HydrophobicContact CH2-CE3 3.48Å; W299-W330 VanDerWaalsContact CH2-CE3 3.48Å; W299-W330 HydrophobicContact CH2-CG 4.07Å; W299-W330 HydrophobicContact CH2-CH2 4.13Å; W299-W330 HydrophobicContact CH2-CZ2 4.16Å; W299-W330 AromaticContact CH2-CZ3 3.81Å; W299-W330 HydrophobicContact CH2-CZ3 3.81Å; W299-W330 HydrophobicContact CZ2-CB 4.34Å; W299-W330 AromaticContact CZ2-CD2 3.8Å; W299-W330 HydrophobicContact CZ2-CD2 3.8Å; W299-W330 HydrophobicContact CZ2-CE3 4.2Å; W299-W330 AromaticContact CZ2-CG 3.86Å; W299-W330 HydrophobicContact CZ2-CG 3.86Å; W299-W330 HydrophobicContact CZ3-CE3 4.3Å; W299-W330 HydrophobicContact CZ3-CZ3 4.43Å
300S98.3Very high96.6Very high10 Ų1023.1 Ų23.17%0.0714%0.138CC..EExtended strand (participates in β ladder)trans-129.1145.8166.669.60000110.9A181 Q182 Y184 I312A181-S300 CarbonylContact C-O 3.56Å; A181-S300 WeakPolarHBondContact CA-O 3.21Å; Q182-S300 PolarHBondContact N-O 3.48Å; Q182-S300 PolarHBondContact O-N 2.72Å; Y184-S300 WeakPolarHBondContact CE2-OG 3.34Å; Y184-S300 PolarHBondContact OH-OG 2.84Å; S300-I312 CarbonylContact C-O 3.29Å; S300-I312 WeakPolarHBondContact CA-O 3.28Å; S300-I312 WeakPolarHBondContact CB-O 3.24Å
301L98.3Very high96.8Very high0 Ų024.7 Ų24.70%015%0.148CC..EExtended strand (participates in β ladder)trans-102.4120.9176.6-65.1170.7000109.8F149 L153 P178 A181 F267 W299 M303 P311 I312F149-L301 HydrophobicContact CD1-CD2 4.46Å; F149-L301 HydrophobicContact CD2-CD1 3.84Å; F149-L301 HydrophobicContact CD2-CD2 4.35Å; F149-L301 HydrophobicContact CE1-CD2 4.24Å; F149-L301 HydrophobicContact CE2-CD1 3.99Å; F149-L301 HydrophobicContact CE2-CD2 4.14Å; F149-L301 HydrophobicContact CG-CD1 4.47Å; F149-L301 HydrophobicContact CZ-CD2 4.06Å; L153-L301 HydrophobicContact CD1-CD2 3.91Å; P178-L301 HydrophobicContact CB-CB 4.07Å; P178-L301 HydrophobicContact CB-CD2 4.33Å; P178-L301 HydrophobicContact CG-CD1 4.26Å; P178-L301 HydrophobicContact CG-CD2 4.05Å; P178-L301 HydrophobicContact CG-CG 4.49Å; A181-L301 HydrophobicContact CB-CD2 3.74Å; F267-L301 HydrophobicContact CE2-CD2 4.47Å; W299-L301 HydrophobicContact CE3-CD1 4.37Å; W299-L301 HydrophobicContact CE3-CD2 4.22Å; W299-L301 HydrophobicContact CE3-CG 3.8Å; W299-L301 HydrophobicContact CH2-CD1 4.01Å; W299-L301 HydrophobicContact CH2-CG 4.33Å; W299-L301 HydrophobicContact CZ3-CD1 3.5Å; W299-L301 VanDerWaalsContact CZ3-CD1 3.5Å; W299-L301 HydrophobicContact CZ3-CD2 4.13Å; W299-L301 HydrophobicContact CZ3-CG 3.41Å; W299-L301 VanDerWaalsContact CZ3-CG 3.41Å; L301-M303 HydrophobicContact CB-SD 4.08Å; L301-M303 PolarHBondContact O-N 3.41Å; L301-P311 WeakPolarHBondContact O-CA 3.43Å; L301-P311 WeakPolarHBondContact O-CB 3.45Å; L301-I312 HydrophobicContact CB-CB 4.27Å; L301-I312 HydrophobicContact CD1-CD1 4.32Å; L301-I312 PolarHBondContact N-O 3.43Å; L301-I312 PolarHBondContact O-N 3.2Å
302Q98Very high96.9Very high23 Ų2323.2 Ų23.211%0.10714%0.139CC..EExtended strand (participates in β ladder)trans-77.8110.9164.1-176.4179.2-8.800108.5P178 C179 A180 E304 N307P178-Q302 WeakPolarHBondContact CB-O 3.46Å; C179-Q302 PolarHBondContact N-O 3.17Å; C179-Q302 PolarHBondContact SG-O 3.49Å; C179-Q302 VanDerWaalsContact SG-O 3.4Å; A180-Q302 HydrophobicContact CB-CB 4.2Å; A180-Q302 PolarHBondContact N-O 3.25Å; A180-Q302 PolarHBondContact O-N 3.29Å; Q302-E304 WeakPolarHBondContact CG-O 3.45Å; Q302-E304 PolarHBondContact NE2-O 3.04Å; Q302-N307 VanDerWaalsContact CD-OD1 3.26Å; Q302-N307 VanDerWaalsContact CG-OD1 3.3Å; Q302-N307 WeakPolarHBondContact CG-OD1 3.27Å; Q302-N307 PolarHBondContact NE2-OD1 3.2Å; Q302-N307 VanDerWaalsContact NE2-OD1 3.12Å
303M98.1Very high97Very high0 Ų023.2 Ų23.20%014%0.139CC..  trans-69.4-37.4-173.2-58.4-50.8-66.700113.1K50 Y51 A54 I177 P178 L301 V309 I312K50-M303 HydrophobicContact CB-CG 4.5Å; Y51-M303 HydrophobicContact CD1-CE 3.89Å; Y51-M303 HydrophobicContact CD2-CE 3.71Å; Y51-M303 HydrophobicContact CE1-CE 4.03Å; Y51-M303 HydrophobicContact CE2-CE 3.85Å; Y51-M303 HydrophobicContact CG-CE 3.74Å; A54-M303 HydrophobicContact CB-CB 3.61Å; I177-M303 WeakPolarHBondContact CA-O 3.37Å; I177-M303 HydrophobicContact CG2-CE 4.1Å; P178-M303 WeakPolarHBondContact CA-O 3.5Å; P178-M303 HydrophobicContact CB-SD 4.27Å; L301-M303 HydrophobicContact CB-SD 4.08Å; L301-M303 PolarHBondContact O-N 3.41Å; M303-V309 HydrophobicContact CB-CB 4.42Å; M303-V309 HydrophobicContact CB-CG1 4.41Å; M303-V309 HydrophobicContact CG-CG1 4.29Å; M303-I312 HydrophobicContact CE-CD1 3.8Å; M303-I312 HydrophobicContact SD-CB 4.49Å; M303-I312 HydrophobicContact SD-CD1 3.5Å; M303-I312 WeakPolarHBondContact SD-CD1 3.47Å; M303-I312 HydrophobicContact SD-CG1 3.82Å
304E95.5Very high97Very high0 Ų022.9 Ų22.90%014%0.137CC..SBendtrans-154.8160.8178.856.872.5-141.600111.7A54 H57 C179 Q302 T306 N307 T308 V309A54-E304 HydrophobicContact CB-CG 4.28Å; H57-E304 IonicContact CD2-OE2 3.96Å; H57-E304 IonicContact NE2-OE2 2.73Å; C179-E304 VanDerWaalsContact SG-C 3.51Å; Q302-E304 WeakPolarHBondContact CG-O 3.45Å; Q302-E304 PolarHBondContact NE2-O 3.04Å; E304-T306 VanDerWaalsContact C-N 3.27Å; E304-T306 PolarHBondContact O-N 3.27Å; E304-T306 VanDerWaalsContact O-N 3.17Å; E304-T306 PolarHBondContact OE1-OG1 3.21Å; E304-T306 WeakPolarHBondContact OE2-CA 3.15Å; E304-T306 VanDerWaalsContact OE2-CB 3.24Å; E304-T306 WeakPolarHBondContact OE2-CB 3.47Å; E304-T306 WeakPolarHBondContact OE2-CG2 3.42Å; E304-T306 PolarHBondContact OE2-N 3.03Å; E304-T306 PolarHBondContact OE2-OG1 2.94Å; E304-N307 PolarHBondContact O-N 3.19Å; E304-N307 WeakPolarHBondContact OE1-CA 3.36Å; E304-N307 PolarHBondContact OE1-N 3.32Å; E304-T308 PolarHBondContact OE1-N 2.71Å; E304-V309 HydrophobicContact CG-CG2 4.46Å; E304-V309 PolarHBondContact OE1-N 3.31Å
305P92.5Very high97.1Very high72 Ų7222.9 Ų22.947%0.46814%0.137SC..THydrogen-bonded Turntrans-63.3-22.9-168.7-26.836.5000116.2C179C179-P305 HydrophobicContact CB-CG 4.31Å
306T93.4Very high97Very high65 Ų6522.9 Ų22.940%0.39914%0.137SC..THydrogen-bonded Turntrans-85.4-12.3-175.976.20000113.7H57 E304 T308H57-T306 PolarHBondContact NE2-OG1 3.03Å; H57-T306 VanDerWaalsContact NE2-OG1 3.15Å; E304-T306 VanDerWaalsContact C-N 3.27Å; E304-T306 PolarHBondContact O-N 3.27Å; E304-T306 VanDerWaalsContact O-N 3.17Å; E304-T306 PolarHBondContact OE1-OG1 3.21Å; E304-T306 WeakPolarHBondContact OE2-CA 3.15Å; E304-T306 VanDerWaalsContact OE2-CB 3.24Å; E304-T306 WeakPolarHBondContact OE2-CB 3.47Å; E304-T306 WeakPolarHBondContact OE2-CG2 3.42Å; E304-T306 PolarHBondContact OE2-N 3.03Å; E304-T306 PolarHBondContact OE2-OG1 2.94Å; T306-T308 PolarHBondContact O-N 2.75Å; T306-T308 WeakPolarHBondContact OG1-CB 3.23Å; T306-T308 PolarHBondContact OG1-N 2.81Å; T306-T308 PolarHBondContact OG1-OG1 2.9Å
307N92.7Very high96.8Very high103 Ų10326.4 Ų26.455%0.55116%0.162SC*.  trans55.225.8-172.7-61.6-60.9000113.9Q302 E304 V309Q302-N307 VanDerWaalsContact CD-OD1 3.26Å; Q302-N307 VanDerWaalsContact CG-OD1 3.3Å; Q302-N307 WeakPolarHBondContact CG-OD1 3.27Å; Q302-N307 PolarHBondContact NE2-OD1 3.2Å; Q302-N307 VanDerWaalsContact NE2-OD1 3.12Å; E304-N307 PolarHBondContact O-N 3.19Å; E304-N307 WeakPolarHBondContact OE1-CA 3.36Å; E304-N307 PolarHBondContact OE1-N 3.32Å; N307-V309 VanDerWaalsContact C-N 3.26Å
308T95.7Very high96.5Very high86 Ų8628.4 Ų28.453%0.52817%0.169SC..  trans-66.1-36.3172.3-60.90000110.3H57 E304 T306H57-T308 PolarHBondContact CE1-OG1 2.94Å; E304-T308 PolarHBondContact OE1-N 2.71Å; T306-T308 PolarHBondContact O-N 2.75Å; T306-T308 WeakPolarHBondContact OG1-CB 3.23Å; T306-T308 PolarHBondContact OG1-N 2.81Å; T306-T308 PolarHBondContact OG1-OG1 2.9Å
309V97.3Very high96.3Very high9 Ų930.5 Ų30.56%0.05518%0.182CC..SBendtrans-92.6128.1175-175.20000109.2K50 L53 A54 M303 E304 N307K50-V309 HydrophobicContact CB-CG1 4.29Å; K50-V309 HydrophobicContact CG-CG1 4.38Å; L53-V309 HydrophobicContact CB-CG1 3.99Å; L53-V309 HydrophobicContact CB-CG2 3.82Å; A54-V309 HydrophobicContact CB-CB 4.47Å; A54-V309 HydrophobicContact CB-CG2 4.2Å; M303-V309 HydrophobicContact CB-CB 4.42Å; M303-V309 HydrophobicContact CB-CG1 4.41Å; M303-V309 HydrophobicContact CG-CG1 4.29Å; E304-V309 HydrophobicContact CG-CG2 4.46Å; E304-V309 PolarHBondContact OE1-N 3.31Å; N307-V309 VanDerWaalsContact C-N 3.26Å
310P97.3Very high96.1Very high60 Ų6033.2 Ų33.239%0.3921%0.211SC..PPolyproline II helixtrans-58.1147175.5-21.431.3000111.7N323P310-N323 VanDerWaalsContact CB-OD1 3.27Å; P310-N323 WeakPolarHBondContact CB-OD1 3.42Å
311P97.8Very high95.9Very high37 Ų3734.7 Ų34.724%0.2422%0.218CC..PPolyproline II helixtrans-65.6155.3-17929-35.3000111.6K50 L301 N323K50-P311 WeakPolarHBondContact CE-O 3.49Å; K50-P311 PolarHBondContact NZ-O 2.93Å; L301-P311 WeakPolarHBondContact O-CA 3.43Å; L301-P311 WeakPolarHBondContact O-CB 3.45Å; P311-N323 HydrophobicContact CG-CB 4.39Å; P311-N323 WeakPolarHBondContact O-CB 3.13Å
312I98.3Very high95.8Very high0 Ų040.3 Ų40.30%026%0.255CS..EExtended strand (participates in β ladder)trans-76.4133.3159-64.3162.9000106.8R47 K50 Y51 S300 L301 M303 W330R47-I312 HydrophobicContact CB-CD1 4.33Å; R47-I312 HydrophobicContact CG-CD1 3.71Å; K50-I312 HydrophobicContact CB-CD1 4.43Å; K50-I312 HydrophobicContact CB-CG1 4.02Å; K50-I312 HydrophobicContact CD-CB 4.48Å; K50-I312 HydrophobicContact CD-CG1 3.6Å; K50-I312 HydrophobicContact CG-CG1 4.46Å; Y51-I312 HydrophobicContact CD2-CD1 3.95Å; Y51-I312 HydrophobicContact CE2-CD1 3.75Å; S300-I312 CarbonylContact C-O 3.29Å; S300-I312 WeakPolarHBondContact CA-O 3.28Å; S300-I312 WeakPolarHBondContact CB-O 3.24Å; L301-I312 HydrophobicContact CB-CB 4.27Å; L301-I312 HydrophobicContact CD1-CD1 4.32Å; L301-I312 PolarHBondContact N-O 3.43Å; L301-I312 PolarHBondContact O-N 3.2Å; M303-I312 HydrophobicContact CE-CD1 3.8Å; M303-I312 HydrophobicContact SD-CB 4.49Å; M303-I312 HydrophobicContact SD-CD1 3.5Å; M303-I312 WeakPolarHBondContact SD-CD1 3.47Å; M303-I312 HydrophobicContact SD-CG1 3.82Å; I312-W330 HydrophobicContact CG2-CZ3 4.1Å
313S98Very high95.8Very high0 Ų041.3 Ų41.30%026%0.261CS..EExtended strand (participates in β ladder)trans-130.3136.2176.9-176.50000110.1A315 D321 S324 R327S313-A315 WeakPolarHBondContact OG-CB 3.33Å; S313-A315 PolarHBondContact OG-N 2.59Å; S313-D321 WeakPolarHBondContact CB-OD2 3.49Å; S313-D321 PolarHBondContact OG-OD2 3.35Å; S313-S324 WeakPolarHBondContact O-CA 3.13Å; S313-R327 PolarHBondContact O-NH1 2.9Å
314V97.5Very high95.6Very high0 Ų043.1 Ų43.10%027%0.274CS..  trans-106.923.4174-66.50000111.1W298 W299 W330 Q332W298-V314 HydrophobicContact CB-CG2 4.06Å; W299-V314 HydrophobicContact CD2-CG2 3.66Å; W299-V314 HydrophobicContact CE3-CG2 3.96Å; W299-V314 HydrophobicContact CG-CG2 3.95Å; W299-V314 HydrophobicContact CH2-CG1 4.19Å; W299-V314 HydrophobicContact CZ2-CG1 4.37Å; W299-V314 HydrophobicContact CZ2-CG2 4.34Å; W299-V314 HydrophobicContact CZ3-CG1 4.26Å; W299-V314 HydrophobicContact CZ3-CG2 4.38Å; W299-V314 WeakPolarHBondContact O-CG2 3.43Å; W299-V314 PolarHBondContact O-N 2.84Å; W299-V314 VanDerWaalsContact O-N 3.17Å; V314-W330 HydrophobicContact CG1-CB 3.62Å; V314-W330 HydrophobicContact CG1-CD2 4.49Å; V314-W330 HydrophobicContact CG1-CE3 4.08Å; V314-W330 HydrophobicContact CG1-CG 4.38Å; V314-Q332 PolarHBondContact O-NE2 2.92Å
315A97.8Very high95.6Very high0 Ų044.5 Ų44.50%029%0.285CS..  trans-61.3141179.900000111.8W298 S313 V319 D321 S324W298-A315 HydrophobicContact CG-CB 4.29Å; S313-A315 WeakPolarHBondContact OG-CB 3.33Å; S313-A315 PolarHBondContact OG-N 2.59Å; A315-V319 HydrophobicContact CB-CB 4.27Å; A315-V319 HydrophobicContact CB-CG1 4.32Å; A315-D321 HydrophobicContact CB-CB 3.94Å; A315-S324 WeakPolarHBondContact O-CB 3.36Å; A315-S324 PolarHBondContact O-OG 3.05Å
316P96.5Very high95.5Very high1 Ų143.7 Ų43.71%0.00627%0.273CS..  trans-62.8149.2174.722.1-26.6000111.2V235 S236 V296 W298 W318 V319 Q332V235-P316 HydrophobicContact CB-CB 4.45Å; V235-P316 HydrophobicContact CG1-CB 4.34Å; S236-P316 WeakPolarHBondContact OG-CA 3.33Å; V296-P316 HydrophobicContact CG1-CG 4.29Å; W298-P316 HydrophobicContact CE3-CG 4.19Å; W298-P316 HydrophobicContact CZ3-CG 4.22Å; P316-W318 HydrophobicContact CB-CD2 4.23Å; P316-W318 HydrophobicContact CB-CZ2 3.85Å; P316-W318 HydrophobicContact CG-CD2 4.16Å; P316-W318 HydrophobicContact CG-CE3 4.48Å; P316-W318 HydrophobicContact CG-CH2 3.68Å; P316-W318 HydrophobicContact CG-CZ2 3.32Å; P316-W318 HydrophobicContact CG-CZ3 4.26Å; P316-W318 PolarHBondContact O-N 2.87Å; P316-W318 VanDerWaalsContact O-N 3.11Å; P316-V319 HydrophobicContact CG-CG2 3.79Å; P316-V319 WeakPolarHBondContact O-CB 3.2Å; P316-V319 PolarHBondContact O-N 3.22Å; P316-Q332 HydrophobicContact CB-CG 3.98Å; P316-Q332 HydrophobicContact CG-CG 4.11Å
317S93.7Very high95.5Very high75 Ų7540.9 Ų40.952%0.52426%0.255SS..G310 helixtrans-51.1-39.5-17360.80000114S236 V319 G320S236-S317 PolarHBondContact O-OG 3.18Å; S236-S317 PolarHBondContact OG-N 3.46Å; S317-V319 PolarHBondContact O-N 3.27Å; S317-G320 PolarHBondContact O-N 2.62Å; S317-G320 VanDerWaalsContact O-N 3.11Å
318W92.7Very high95.4Very high47 Ų4737.4 Ų37.418%0.17824%0.236CC..G310 helixtrans-70.7-9.2-179.251.1-106000114.7Q186 V235 L240 L252 V296 W298 P316 G320Q186-W318 HydrophobicContact CB-CH2 4.08Å; Q186-W318 HydrophobicContact CG-CH2 4Å; Q186-W318 HydrophobicContact CG-CZ3 4.27Å; V235-W318 HydrophobicContact CG1-CZ2 3.98Å; V235-W318 PolarHBondContact O-NE1 2.7Å; L240-W318 HydrophobicContact CB-CB 4.2Å; L240-W318 HydrophobicContact CD2-CB 4.3Å; L252-W318 HydrophobicContact CD1-CZ2 4.35Å; L252-W318 HydrophobicContact CD2-CZ2 4.26Å; V296-W318 HydrophobicContact CG1-CH2 4.49Å; V296-W318 HydrophobicContact CG1-CZ2 4.16Å; W298-W318 HydrophobicContact CH2-CH2 4.35Å; W298-W318 HydrophobicContact CZ3-CH2 4.26Å; P316-W318 HydrophobicContact CB-CD2 4.23Å; P316-W318 HydrophobicContact CB-CZ2 3.85Å; P316-W318 HydrophobicContact CG-CD2 4.16Å; P316-W318 HydrophobicContact CG-CE3 4.48Å; P316-W318 HydrophobicContact CG-CH2 3.68Å; P316-W318 HydrophobicContact CG-CZ2 3.32Å; P316-W318 HydrophobicContact CG-CZ3 4.26Å; P316-W318 PolarHBondContact O-N 2.87Å; P316-W318 VanDerWaalsContact O-N 3.11Å; W318-G320 VanDerWaalsContact C-N 3.25Å
319V94.4Very high95.2Very high48 Ų4834.9 Ų34.929%0.29122%0.219SC..G310 helixtrans-71.8-25.1170173.60000111.1P259 W298 A315 P316 S317 D321P259-V319 HydrophobicContact CG-CG1 4.36Å; P259-V319 HydrophobicContact CG-CG2 4.34Å; W298-V319 HydrophobicContact CH2-CG2 3.73Å; W298-V319 HydrophobicContact CZ2-CG1 4.26Å; W298-V319 HydrophobicContact CZ2-CG2 3.63Å; A315-V319 HydrophobicContact CB-CB 4.27Å; A315-V319 HydrophobicContact CB-CG1 4.32Å; P316-V319 HydrophobicContact CG-CG2 3.79Å; P316-V319 WeakPolarHBondContact O-CB 3.2Å; P316-V319 PolarHBondContact O-N 3.22Å; S317-V319 PolarHBondContact O-N 3.27Å; V319-D321 VanDerWaalsContact C-N 3.28Å; V319-D321 HydrophobicContact CG1-CB 4.31Å; V319-D321 PolarHBondContact O-N 2.9Å
320G93.3Very high95.1Very high61 Ų6134.6 Ų34.663%0.62922%0.216SC*.  trans68.225.3-177.100000113.7S317 W318 P322S317-G320 PolarHBondContact O-N 2.62Å; S317-G320 VanDerWaalsContact O-N 3.11Å; W318-G320 VanDerWaalsContact C-N 3.25Å; G320-P322 WeakPolarHBondContact O-CD 3.41Å
321D96.1Very high95Very high41 Ų4132.6 Ų32.622%0.21920%0.202CC..  trans-68.4115.8173.3-176.4-11.8000109.5S313 A315 V319 N323 S324S313-D321 WeakPolarHBondContact CB-OD2 3.49Å; S313-D321 PolarHBondContact OG-OD2 3.35Å; A315-D321 HydrophobicContact CB-CB 3.94Å; V319-D321 VanDerWaalsContact C-N 3.28Å; V319-D321 HydrophobicContact CG1-CB 4.31Å; V319-D321 PolarHBondContact O-N 2.9Å; D321-N323 PolarHBondContact O-N 3.17Å; D321-N323 VanDerWaalsContact O-N 3.1Å; D321-N323 WeakPolarHBondContact OD1-CB 3.41Å; D321-N323 PolarHBondContact OD1-N 3.39Å; D321-N323 PolarHBondContact OD1-ND2 2.89Å; D321-S324 WeakPolarHBondContact O-CB 3.43Å; D321-S324 PolarHBondContact O-N 2.98Å; D321-S324 VanDerWaalsContact O-N 3.07Å
322P95.9Very high95Very high119 Ų11931.2 Ų31.277%0.77319%0.192SC*.THydrogen-bonded Turntrans-65.5-14.3-178.228.7-36.8000113.5G320G320-P322 WeakPolarHBondContact O-CD 3.41Å
323N96.3Very high95Very high43 Ų4331.3 Ų31.323%0.2319%0.193CC..THydrogen-bonded Turntrans-94.7-3.6177.9-54-67.9000113.3K50 P310 P311 D321K50-N323 PolarHBondContact NZ-O 2.71Å; K50-N323 VanDerWaalsContact NZ-O 3.13Å; P310-N323 VanDerWaalsContact CB-OD1 3.27Å; P310-N323 WeakPolarHBondContact CB-OD1 3.42Å; P311-N323 HydrophobicContact CG-CB 4.39Å; P311-N323 WeakPolarHBondContact O-CB 3.13Å; D321-N323 PolarHBondContact O-N 3.17Å; D321-N323 VanDerWaalsContact O-N 3.1Å; D321-N323 WeakPolarHBondContact OD1-CB 3.41Å; D321-N323 PolarHBondContact OD1-N 3.39Å; D321-N323 PolarHBondContact OD1-ND2 2.89Å
324S95.8Very high95Very high38 Ų3831.3 Ų31.327%0.26619%0.193SC..BIsolated β-bridgetrans-73.6141.1178.6-176.50000111.3S313 A315 D321S313-S324 WeakPolarHBondContact O-CA 3.13Å; A315-S324 WeakPolarHBondContact O-CB 3.36Å; A315-S324 PolarHBondContact O-OG 3.05Å; D321-S324 WeakPolarHBondContact O-CB 3.43Å; D321-S324 PolarHBondContact O-N 2.98Å; D321-S324 VanDerWaalsContact O-N 3.07Å
325A93.7Very high95Very high29 Ų2932 Ų3224%0.2420%0.196CC..  trans-135.8146.1170.800000109.5D46 R327D46-A325 HydrophobicContact CB-CB 4.06Å; A325-R327 PolarHBondContact O-NH1 2.89Å; A325-R327 VanDerWaalsContact O-NH1 3.11Å
326W91.7Very high94.9Very high56 Ų5632.9 Ų32.921%0.21220%0.2CC..  trans-66.3133.7176.2-172.698.8000110.1Q234 D328 Y573 Y616Q234-W326 HydrophobicContact CG-CZ2 4.24Å; W326-D328 HydrophobicContact CH2-CB 3.72Å; W326-D328 HydrophobicContact CZ3-CB 3.87Å; W326-Y573 HydrophobicContact CB-CD2 4.45Å; W326-Y573 HydrophobicContact CB-CE2 3.93Å; W326-Y573 AromaticContact CD1-CE2 3.91Å; W326-Y573 HydrophobicContact CD2-CD1 4.47Å; W326-Y573 AromaticContact CD2-CD2 3.31Å; W326-Y573 HydrophobicContact CD2-CD2 3.31Å; W326-Y573 AromaticContact CD2-CE2 3.7Å; W326-Y573 HydrophobicContact CD2-CE2 3.7Å; W326-Y573 AromaticContact CD2-CG 3.75Å; W326-Y573 HydrophobicContact CD2-CG 3.75Å; W326-Y573 AromaticContact CE2-CD2 3.58Å; W326-Y573 HydrophobicContact CE3-CD1 4.02Å; W326-Y573 AromaticContact CE3-CD2 3.57Å; W326-Y573 HydrophobicContact CE3-CD2 3.57Å; W326-Y573 HydrophobicContact CE3-CE2 4.21Å; W326-Y573 AromaticContact CE3-CG 3.45Å; W326-Y573 HydrophobicContact CE3-CG 3.45Å; W326-Y573 VanDerWaalsContact CE3-CG 3.45Å; W326-Y573 AromaticContact CG-CD2 3.72Å; W326-Y573 HydrophobicContact CG-CD2 3.72Å; W326-Y573 AromaticContact CG-CE2 3.55Å; W326-Y573 HydrophobicContact CG-CE2 3.55Å; W326-Y573 HydrophobicContact CG-CG 4.43Å; W326-Y573 HydrophobicContact CH2-CD2 4.33Å; W326-Y573 HydrophobicContact CH2-CG 4.27Å; W326-Y573 HydrophobicContact CZ2-CD2 4.08Å; W326-Y573 HydrophobicContact CZ2-CG 4.48Å; W326-Y573 HydrophobicContact CZ3-CD2 4.09Å; W326-Y573 AromaticContact CZ3-CG 3.76Å; W326-Y573 HydrophobicContact CZ3-CG 3.76Å; W326-Y616 HydrophobicContact CH2-CD1 4.11Å; W326-Y616 HydrophobicContact CH2-CE1 4.07Å; W326-Y616 AromaticContact CZ2-CD1 3.95Å; W326-Y616 HydrophobicContact CZ2-CD1 3.95Å; W326-Y616 HydrophobicContact CZ2-CE1 4.13Å
327R92.7Very high94.8Very high5 Ų532.9 Ų32.92%0.01920%0.2CC..  trans-144142.7-177.6-67.8173.1174.485.513.4109.8D44 D46 Q234 S313 A325 W330D44-R327 IonicContact OD1-NE 3.32Å; D44-R327 IonicContact OD1-NH2 3.73Å; D44-R327 PolarHBondContact OD1-NH2 2.85Å; D44-R327 WeakPolarHBondContact OD2-CD 3.22Å; D44-R327 IonicContact OD2-CZ 3.97Å; D44-R327 IonicContact OD2-NE 2.71Å; D44-R327 PolarHBondContact OD2-NE 3Å; D44-R327 IonicContact OD2-NH2 2.68Å; D44-R327 PolarHBondContact OD2-NH2 2.87Å; D46-R327 IonicContact OD2-CZ 2.85Å; D46-R327 IonicContact OD2-NH2 3.39Å; D46-R327 PolarHBondContact OD2-NH2 3.42Å; Q234-R327 PolarHBondContact NE2-O 3.28Å; S313-R327 PolarHBondContact O-NH1 2.9Å; A325-R327 PolarHBondContact O-NH1 2.89Å; A325-R327 VanDerWaalsContact O-NH1 3.11Å; R327-W330 HydrophobicContact CB-CB 4.32Å
328D90.4Very high94.6Very high30 Ų3033.5 Ų33.516%0.1619%0.193CC..SBendtrans-88.7-46175.1-159.152.2000111W326 W330 M331 Y616W326-D328 HydrophobicContact CH2-CB 3.72Å; W326-D328 HydrophobicContact CZ3-CB 3.87Å; D328-W330 VanDerWaalsContact C-N 3.31Å; D328-W330 PolarHBondContact O-N 2.93Å; D328-M331 WeakPolarHBondContact O-CE 3.27Å; D328-M331 VanDerWaalsContact O-CG 3.27Å; D328-M331 WeakPolarHBondContact O-CG 3.41Å; D328-M331 WeakPolarHBondContact OD1-CE 3.31Å; D328-Y616 WeakPolarHBondContact OD1-CE1 3.44Å; D328-Y616 PolarHBondContact OD1-OH 2.75Å
329H92Very high94.5Very high34 Ų3434.1 Ų34.116%0.15720%0.202CC..SBendtrans-62.4-27.7175.157.3-83.4000115.4D40 M41 D44 R47D40-H329 VanDerWaalsContact OD2-CB 3.31Å; D40-H329 WeakPolarHBondContact OD2-CB 3.48Å; D40-H329 IonicContact OD2-CE1 3.6Å; D40-H329 IonicContact OD2-CG 3.67Å; D40-H329 PolarHBondContact OD2-N 2.9Å; D40-H329 IonicContact OD2-ND1 3.55Å; D40-H329 PolarHBondContact OD2-ND1 3.41Å; M41-H329 HydrophobicContact CG-CB 3.7Å; M41-H329 VanDerWaalsContact CG-CG 3.43Å; M41-H329 HydrophobicContact SD-CB 4.28Å; D44-H329 IonicContact OD2-CE1 3.9Å; D44-H329 PolarHBondContact OD2-CE1 2.76Å; D44-H329 IonicContact OD2-NE2 2.98Å; R47-H329 PolarHBondContact NH1-NE2 2.9Å
330W94.8Very high94.4Very high3 Ų333.7 Ų33.71%0.01120%0.204CC..SBendtrans-126.688.4177.7-62.3-28.3000111.4M41 R47 E147 F149 W299 I312 V314 R327 D328M41-W330 HydrophobicContact CE-CZ2 4.08Å; R47-W330 VanDerWaalsContact CD-CH2 3.48Å; R47-W330 HydrophobicContact CG-CH2 4.17Å; R47-W330 HydrophobicContact CG-CZ3 3.97Å; E147-W330 HydrophobicContact CG-CH2 4.46Å; E147-W330 WeakPolarHBondContact OE1-CZ2 3.37Å; F149-W330 HydrophobicContact CB-CZ2 4.07Å; F149-W330 PolarHBondContact O-NE1 3.13Å; W299-W330 AromaticContact CH2-CD2 3.52Å; W299-W330 HydrophobicContact CH2-CD2 3.52Å; W299-W330 AromaticContact CH2-CE2 3.86Å; W299-W330 AromaticContact CH2-CE3 3.48Å; W299-W330 HydrophobicContact CH2-CE3 3.48Å; W299-W330 VanDerWaalsContact CH2-CE3 3.48Å; W299-W330 HydrophobicContact CH2-CG 4.07Å; W299-W330 HydrophobicContact CH2-CH2 4.13Å; W299-W330 HydrophobicContact CH2-CZ2 4.16Å; W299-W330 AromaticContact CH2-CZ3 3.81Å; W299-W330 HydrophobicContact CH2-CZ3 3.81Å; W299-W330 HydrophobicContact CZ2-CB 4.34Å; W299-W330 AromaticContact CZ2-CD2 3.8Å; W299-W330 HydrophobicContact CZ2-CD2 3.8Å; W299-W330 HydrophobicContact CZ2-CE3 4.2Å; W299-W330 AromaticContact CZ2-CG 3.86Å; W299-W330 HydrophobicContact CZ2-CG 3.86Å; W299-W330 HydrophobicContact CZ3-CE3 4.3Å; W299-W330 HydrophobicContact CZ3-CZ3 4.43Å; I312-W330 HydrophobicContact CG2-CZ3 4.1Å; V314-W330 HydrophobicContact CG1-CB 3.62Å; V314-W330 HydrophobicContact CG1-CD2 4.49Å; V314-W330 HydrophobicContact CG1-CE3 4.08Å; V314-W330 HydrophobicContact CG1-CG 4.38Å; R327-W330 HydrophobicContact CB-CB 4.32Å; D328-W330 VanDerWaalsContact C-N 3.31Å; D328-W330 PolarHBondContact O-N 2.93Å
331M95.4Very high94.5Very high18 Ų1832.4 Ų32.49%0.08918%0.181CC..  trans-85.1-178.2177.3-55.6-162-173.700111.1T151 Q234 D328T151-M331 HydrophobicContact CG2-CB 4.45Å; T151-M331 WeakPolarHBondContact CG2-O 3.42Å; T151-M331 PolarHBondContact OG1-N 3.1Å; T151-M331 VanDerWaalsContact OG1-N 3.13Å; Q234-M331 HydrophobicContact CG-SD 4.16Å; D328-M331 WeakPolarHBondContact O-CE 3.27Å; D328-M331 VanDerWaalsContact O-CG 3.27Å; D328-M331 WeakPolarHBondContact O-CG 3.41Å; D328-M331 WeakPolarHBondContact OD1-CE 3.31Å
332Q97.8Very high94.4Very high8 Ų837.8 Ų37.84%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-86.2140.8168.1-6680.658.900109.3I233 V235 S236 V296 W298 V314 P316I233-Q332 PolarHBondContact N-O 3.4Å; I233-Q332 VanDerWaalsContact N-O 3.16Å; I233-Q332 PolarHBondContact O-N 2.89Å; V235-Q332 HydrophobicContact CB-CB 3.86Å; V235-Q332 HydrophobicContact CB-CG 4.19Å; V235-Q332 HydrophobicContact CG2-CB 3.68Å; V235-Q332 VanDerWaalsContact N-OE1 3.12Å; S236-Q332 PolarHBondContact OG-OE1 2.66Å; V296-Q332 HydrophobicContact CG1-CB 4.31Å; W298-Q332 HydrophobicContact CB-CG 4.41Å; V314-Q332 PolarHBondContact O-NE2 2.92Å; P316-Q332 HydrophobicContact CB-CG 3.98Å; P316-Q332 HydrophobicContact CG-CG 4.11Å
333A97.9Very high94.4Very high1 Ų132.7 Ų32.71%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-90.9130.3178.100000110.6T151 T230 V297 Y335T151-A333 HydrophobicContact CG2-CB 4.01Å; T230-A333 VanDerWaalsContact OG1-CB 3.31Å; T230-A333 WeakPolarHBondContact OG1-CB 3.31Å; V297-A333 HydrophobicContact CB-CB 4.28Å; V297-A333 PolarHBondContact N-O 3.14Å; V297-A333 PolarHBondContact O-N 3.29Å; A333-Y335 HydrophobicContact CB-CD2 4.41Å; A333-Y335 HydrophobicContact CB-CE2 3.69Å
334V98.1Very high94.4Very high1 Ų134.3 Ų34.31%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-107.3125.7171.6-178.40000110.1L193 F231 I233 V235 A294 F295 F336L193-V334 HydrophobicContact CD1-CG1 4.14Å; L193-V334 HydrophobicContact CD1-CG2 4.42Å; L193-V334 HydrophobicContact CD2-CG1 4.35Å; L193-V334 HydrophobicContact CD2-CG2 4.26Å; F231-V334 HydrophobicContact CB-CB 4.11Å; F231-V334 HydrophobicContact CD1-CB 4.11Å; F231-V334 HydrophobicContact CD1-CG1 4.34Å; F231-V334 HydrophobicContact CG-CB 4.49Å; F231-V334 PolarHBondContact N-O 2.88Å; F231-V334 VanDerWaalsContact O-CB 3.31Å; F231-V334 WeakPolarHBondContact O-CB 3.41Å; F231-V334 PolarHBondContact O-N 3.45Å; I233-V334 HydrophobicContact CD1-CG2 3.97Å; I233-V334 HydrophobicContact CG1-CG2 4Å; V235-V334 HydrophobicContact CG2-CG2 3.71Å; A294-V334 HydrophobicContact CB-CG1 3.86Å; F295-V334 WeakPolarHBondContact O-CA 3.45Å; V334-F336 HydrophobicContact CG1-CE1 4.08Å; V334-F336 HydrophobicContact CG1-CE2 4.24Å; V334-F336 HydrophobicContact CG1-CZ 3.83Å
335Y97.3Very high94.4Very high14 Ų1437.4 Ų37.46%0.05518%0.182CC..EExtended strand (participates in β ladder)trans-115.9155.8170.9-60.3-92.2000110.2E152 A294 F295 V297 A333 M360 F362E152-Y335 VanDerWaalsContact CD-OH 3.29Å; E152-Y335 WeakPolarHBondContact CG-OH 3.19Å; E152-Y335 PolarHBondContact OE1-OH 2.94Å; A294-Y335 CarbonylContact C-O 3.57Å; A294-Y335 WeakPolarHBondContact CA-O 3.48Å; F295-Y335 PolarHBondContact N-O 3.1Å; F295-Y335 PolarHBondContact O-N 2.99Å; V297-Y335 HydrophobicContact CB-CD2 4.13Å; V297-Y335 HydrophobicContact CB-CE2 4Å; V297-Y335 HydrophobicContact CG1-CE2 4.34Å; V297-Y335 HydrophobicContact CG2-CD2 3.72Å; V297-Y335 HydrophobicContact CG2-CE2 4.03Å; A333-Y335 HydrophobicContact CB-CD2 4.41Å; A333-Y335 HydrophobicContact CB-CE2 3.69Å; Y335-M360 VanDerWaalsContact CE1-O 3.24Å; Y335-M360 WeakPolarHBondContact CE1-O 3.39Å; Y335-F362 HydrophobicContact CD1-CD2 4.01Å; Y335-F362 HydrophobicContact CD1-CE2 4.49Å; Y335-F362 AromaticContact CD2-CD2 3.51Å; Y335-F362 HydrophobicContact CD2-CD2 3.51Å; Y335-F362 AromaticContact CD2-CE2 3.61Å; Y335-F362 HydrophobicContact CD2-CE2 3.61Å; Y335-F362 HydrophobicContact CE1-CD2 4.37Å; Y335-F362 HydrophobicContact CE1-CE2 4.45Å; Y335-F362 AromaticContact CE2-CD2 3.89Å; Y335-F362 HydrophobicContact CE2-CD2 3.89Å; Y335-F362 AromaticContact CE2-CE2 3.53Å; Y335-F362 HydrophobicContact CE2-CE2 3.53Å; Y335-F362 AromaticContact CG-CD2 3.55Å; Y335-F362 HydrophobicContact CG-CD2 3.55Å; Y335-F362 HydrophobicContact CG-CE2 4.09Å; Y335-F362 AromaticContact CZ-CE2 3.98Å
336F96.2Very high94.5Very high18 Ų1841.6 Ų41.68%0.07920%0.201CC..  trans-119.4132.4-178.1-60.2-79.3000110.2L193 W194 H197 F231 A294 V334L193-F336 HydrophobicContact CB-CE1 4.15Å; L193-F336 WeakPolarHBondContact O-CE1 3.29Å; L193-F336 WeakPolarHBondContact O-CZ 3.1Å; W194-F336 HydrophobicContact CE3-CD1 4.05Å; W194-F336 HydrophobicContact CZ3-CB 4.39Å; W194-F336 HydrophobicContact CZ3-CD1 4.27Å; H197-F336 HydrophobicContact CB-CB 4.47Å; H197-F336 HydrophobicContact CB-CD1 3.64Å; H197-F336 HydrophobicContact CB-CD2 3.89Å; H197-F336 HydrophobicContact CB-CE1 3.73Å; H197-F336 HydrophobicContact CB-CE2 3.97Å; H197-F336 HydrophobicContact CB-CG 3.72Å; H197-F336 HydrophobicContact CB-CZ 3.88Å; H197-F336 VanDerWaalsContact CD2-CB 3.5Å; H197-F336 WeakPolarHBondContact CD2-CB 3.38Å; H197-F336 AromaticContact CD2-CG 3.71Å; H197-F336 VanDerWaalsContact CE1-CB 3.5Å; H197-F336 WeakPolarHBondContact CE1-CB 3.37Å; H197-F336 AromaticContact CE1-CG 3.91Å; H197-F336 AromaticContact CG-CD1 3.84Å; H197-F336 AromaticContact CG-CD2 3.74Å; H197-F336 AromaticContact CG-CG 3.47Å; H197-F336 VanDerWaalsContact CG-CG 3.47Å; H197-F336 AromaticContact ND1-CD2 3.54Å; H197-F336 AromaticContact ND1-CG 3.67Å; H197-F336 VanDerWaalsContact NE2-CB 3.31Å; H197-F336 WeakPolarHBondContact NE2-CB 3.38Å; H197-F336 AromaticContact NE2-CG 3.96Å; F231-F336 HydrophobicContact CB-CE2 4.1Å; F231-F336 HydrophobicContact CD1-CE2 4.14Å; F231-F336 AromaticContact CD1-CZ 3.87Å; F231-F336 HydrophobicContact CD1-CZ 3.87Å; A294-F336 HydrophobicContact CB-CD1 3.98Å; A294-F336 HydrophobicContact CB-CE1 4.01Å; V334-F336 HydrophobicContact CG1-CE1 4.08Å; V334-F336 HydrophobicContact CG1-CE2 4.24Å; V334-F336 HydrophobicContact CG1-CZ 3.83Å
337P94.2Very high94.7Very high1 Ų144 Ų441%0.00621%0.214CC..  trans-64.9159.1167.531-34.7000110.1H293 F295 T339 D363 I364H293-P337 WeakPolarHBondContact O-CD 3.39Å; F295-P337 HydrophobicContact CE2-CB 3.96Å; F295-P337 HydrophobicContact CE2-CG 4.39Å; F295-P337 HydrophobicContact CZ-CB 4.22Å; P337-T339 WeakPolarHBondContact CB-O 3.22Å; P337-T339 WeakPolarHBondContact CG-O 3.29Å; P337-T339 PolarHBondContact O-N 3.2Å; P337-D363 WeakPolarHBondContact CA-OD1 3.44Å; P337-I364 HydrophobicContact CB-CG1 4.23Å
338K90.9Very high94.7Very high89 Ų8945.6 Ų45.639%0.38723%0.226SC..SBendtrans-58.9-39.2179.5-179.7174.7-180175.40111.7R198 S223 D363R198-K338 PolarHBondContact NH2-O 3.02Å; S223-K338 WeakPolarHBondContact O-CE 3.28Å; K338-D363 PolarHBondContact N-OD1 2.82Å
339T90.2Very high94.9Very high60 Ų6044.8 Ų44.837%0.36822%0.221SC..SBendtrans-130.6153174.848.90000110P337 H341P337-T339 WeakPolarHBondContact CB-O 3.22Å; P337-T339 WeakPolarHBondContact CG-O 3.29Å; P337-T339 PolarHBondContact O-N 3.2Å; T339-H341 PolarHBondContact O-CD2 3.04Å; T339-H341 PolarHBondContact O-N 3.16Å; T339-H341 PolarHBondContact O-NE2 3.38Å; T339-H341 PolarHBondContact OG1-CE1 2.9Å; T339-H341 PolarHBondContact OG1-NE2 3.21Å
340A92.7Very high95Very high39 Ų3944.2 Ų44.232%0.32222%0.219SC..  trans-71.8128.4169.900000109.4W194 T291W194-A340 HydrophobicContact CH2-CB 4.18Å; W194-A340 HydrophobicContact CZ2-CB 3.79Å; T291-A340 HydrophobicContact CG2-CB 3.66Å
341H94Very high95.1Very high34 Ų3444.1 Ų44.116%0.15722%0.218CC..EExtended strand (participates in β ladder)trans-108.4123.3-179.9-68.2-94000110.2T291 A292 T339 L343 I364T291-H341 CarbonylContact C-O 3.59Å; T291-H341 WeakPolarHBondContact CA-O 3.22Å; A292-H341 HydrophobicContact CB-CB 4.49Å; A292-H341 PolarHBondContact N-O 2.86Å; A292-H341 PolarHBondContact O-N 2.81Å; T339-H341 PolarHBondContact O-CD2 3.04Å; T339-H341 PolarHBondContact O-N 3.16Å; T339-H341 PolarHBondContact O-NE2 3.38Å; T339-H341 PolarHBondContact OG1-CE1 2.9Å; T339-H341 PolarHBondContact OG1-NE2 3.21Å; H341-L343 HydrophobicContact CB-CD2 4.25Å; H341-L343 PolarHBondContact O-N 3.46Å; H341-I364 HydrophobicContact CB-CD1 4Å; H341-I364 HydrophobicContact CB-CG2 4.47Å
342Y95.3Very high95Very high153 Ų15345.3 Ų45.360%0.622%0.222SC*.EExtended strand (participates in β ladder)trans-76118.3168.2-172.6-97000109.4I344Y342-I344 HydrophobicContact CD1-CG1 4.21Å; Y342-I344 HydrophobicContact CE1-CG1 4Å
343L95.2Very high94.9Very high13 Ų1344.9 Ų44.97%0.06822%0.22CC..EExtended strand (participates in β ladder)trans-103140-179.8-57.3179000109.5V187 L255 T286 S289 G290 A292 H341 F349V187-L343 HydrophobicContact CG1-CD1 4.28Å; L255-L343 HydrophobicContact CD1-CD1 4.1Å; T286-L343 HydrophobicContact CG2-CB 3.77Å; S289-L343 CarbonylContact C-O 3.58Å; S289-L343 WeakPolarHBondContact CA-O 3.43Å; G290-L343 PolarHBondContact N-O 3.41Å; G290-L343 PolarHBondContact O-N 3.4Å; A292-L343 HydrophobicContact CB-CD1 3.82Å; A292-L343 HydrophobicContact CB-CG 4.17Å; H341-L343 HydrophobicContact CB-CD2 4.25Å; H341-L343 PolarHBondContact O-N 3.46Å; L343-F349 HydrophobicContact CD1-CD1 4.05Å; L343-F349 HydrophobicContact CD1-CD2 4.37Å; L343-F349 HydrophobicContact CD1-CE1 3.56Å; L343-F349 HydrophobicContact CD1-CE2 3.89Å; L343-F349 HydrophobicContact CD1-CG 4.42Å; L343-F349 HydrophobicContact CD1-CZ 3.45Å; L343-F349 VanDerWaalsContact CD1-CZ 3.45Å; L343-F349 HydrophobicContact CD2-CB 4.31Å; L343-F349 HydrophobicContact CD2-CD1 4.06Å; L343-F349 HydrophobicContact CD2-CD2 4.21Å; L343-F349 HydrophobicContact CD2-CE1 4.43Å; L343-F349 HydrophobicContact CD2-CG 3.94Å
344I95.6Very high94.8Very high76 Ų7644.9 Ų44.939%0.3922%0.22SC..PPolyproline II helixtrans-102.9133.9-179.7-60171.8000108.8T286 Y342 N346 E347T286-I344 WeakPolarHBondContact CB-O 3.31Å; Y342-I344 HydrophobicContact CD1-CG1 4.21Å; Y342-I344 HydrophobicContact CE1-CG1 4Å; I344-N346 PolarHBondContact O-N 3.07Å; I344-E347 HydrophobicContact CB-CB 4.47Å; I344-E347 HydrophobicContact CB-CG 3.95Å; I344-E347 HydrophobicContact CG2-CG 4.12Å; I344-E347 WeakPolarHBondContact O-CB 3.42Å; I344-E347 PolarHBondContact O-N 2.88Å
345K95.9Very high94.7Very high103 Ų10344.9 Ų44.945%0.44822%0.22SC..THydrogen-bonded Turntrans-47.4134.5176.8178.1166.5-1741710112F287 S289 E347F287-K345 WeakPolarHBondContact O-CD 3.13Å; F287-K345 WeakPolarHBondContact O-CE 3.5Å; F287-K345 WeakPolarHBondContact O-CG 3.21Å; S289-K345 WeakPolarHBondContact OG-CB 3.39Å; S289-K345 PolarHBondContact OG-N 2.81Å; K345-E347 PolarHBondContact O-N 3.17Å
346N96Very high94.6Very high118 Ų11846.7 Ų46.763%0.63123%0.23SC*.THydrogen-bonded Turntrans67.10.2-177.3-52.1-38.4000115.7T286 I344T286-N346 WeakPolarHBondContact O-CA 3.22Å; T286-N346 PolarHBondContact O-N 3.11Å; I344-N346 PolarHBondContact O-N 3.07Å
347E95.2Very high94.6Very high106 Ų10646.9 Ų46.950%0.49523%0.234SC..  trans-82.9142.6171.6-63.2-170.9174.800111.2T286 I344 K345T286-E347 PolarHBondContact N-O 3.49Å; T286-E347 PolarHBondContact OG1-O 2.87Å; T286-E347 VanDerWaalsContact OG1-O 3.1Å; I344-E347 HydrophobicContact CB-CB 4.47Å; I344-E347 HydrophobicContact CB-CG 3.95Å; I344-E347 HydrophobicContact CG2-CG 4.12Å; I344-E347 WeakPolarHBondContact O-CB 3.42Å; I344-E347 PolarHBondContact O-N 2.88Å; K345-E347 PolarHBondContact O-N 3.17Å
348S93.9Very high94.6Very high39 Ų3950.6 Ų50.627%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-85.5144.9172.6-73.70000111.2E283 C284E283-S348 PolarHBondContact OE1-OG 3.29Å; C284-S348 CarbonylContact O-C 3.49Å; C284-S348 WeakPolarHBondContact O-CA 3.49Å
349F94.4Very high94.8Very high13 Ų1347.6 Ų47.66%0.05724%0.243CC..EExtended strand (participates in β ladder)trans-143.7164172.766.2-78.8000109.9V187 L256 C284 T286 L343 V351 I364V187-F349 HydrophobicContact CG1-CZ 4.49Å; V187-F349 HydrophobicContact CG2-CE2 4.2Å; V187-F349 HydrophobicContact CG2-CZ 4.02Å; L256-F349 HydrophobicContact CD2-CE1 3.96Å; L256-F349 HydrophobicContact CD2-CZ 3.85Å; C284-F349 HydrophobicContact CB-CD1 4.08Å; C284-F349 HydrophobicContact CB-CD2 4.32Å; C284-F349 HydrophobicContact CB-CE1 3.59Å; C284-F349 HydrophobicContact CB-CE2 3.88Å; C284-F349 HydrophobicContact CB-CG 4.43Å; C284-F349 HydrophobicContact CB-CZ 3.49Å; C284-F349 VanDerWaalsContact CB-CZ 3.49Å; C284-F349 PolarHBondContact N-O 2.93Å; C284-F349 WeakPolarHBondContact O-CD1 3.38Å; C284-F349 PolarHBondContact O-N 3.48Å; T286-F349 WeakPolarHBondContact OG1-CD1 3.38Å; T286-F349 WeakPolarHBondContact OG1-CE1 3.31Å; L343-F349 HydrophobicContact CD1-CD1 4.05Å; L343-F349 HydrophobicContact CD1-CD2 4.37Å; L343-F349 HydrophobicContact CD1-CE1 3.56Å; L343-F349 HydrophobicContact CD1-CE2 3.89Å; L343-F349 HydrophobicContact CD1-CG 4.42Å; L343-F349 HydrophobicContact CD1-CZ 3.45Å; L343-F349 VanDerWaalsContact CD1-CZ 3.45Å; L343-F349 HydrophobicContact CD2-CB 4.31Å; L343-F349 HydrophobicContact CD2-CD1 4.06Å; L343-F349 HydrophobicContact CD2-CD2 4.21Å; L343-F349 HydrophobicContact CD2-CE1 4.43Å; L343-F349 HydrophobicContact CD2-CG 3.94Å; F349-V351 HydrophobicContact CD2-CG2 4.06Å; F349-V351 HydrophobicContact CE2-CG2 3.57Å; F349-I364 HydrophobicContact CD2-CG2 4.24Å; F349-I364 HydrophobicContact CE2-CD1 4.44Å
350M94.7Very high95Very high22 Ų2244.8 Ų44.811%0.10823%0.226CC..EExtended strand (participates in β ladder)trans-109.8129.8-178.6-61.1-59.7-63.400110.6D281 L282 E283 L365 P368D281-M350 HydrophobicContact CB-CE 3.62Å; L282-M350 WeakPolarHBondContact O-CA 3.31Å; E283-M350 WeakPolarHBondContact CA-SD 3.38Å; E283-M350 HydrophobicContact CB-CE 4.22Å; E283-M350 HydrophobicContact CB-SD 3.65Å; E283-M350 HydrophobicContact CG-SD 3.97Å; M350-L365 HydrophobicContact CB-CB 4.22Å; M350-L365 HydrophobicContact CB-CD1 3.93Å; M350-L365 HydrophobicContact CB-CG 4.28Å; M350-L365 PolarHBondContact O-N 2.87Å; M350-P368 HydrophobicContact CG-CB 4.05Å; M350-P368 HydrophobicContact CG-CG 3.98Å
351V95.7Very high95.1Very high0 Ų044.3 Ų44.30%022%0.216CC..EExtended strand (participates in β ladder)trans-103.2121.3168.3178.40000108.2L185 V187 L282 F295 F349 F362 D363L185-V351 HydrophobicContact CD1-CG1 4.26Å; V187-V351 HydrophobicContact CG2-CG2 4.41Å; L282-V351 HydrophobicContact CB-CB 4.39Å; L282-V351 PolarHBondContact N-O 2.89Å; L282-V351 PolarHBondContact O-N 2.95Å; F295-V351 HydrophobicContact CE1-CG1 3.92Å; F295-V351 HydrophobicContact CE1-CG2 4.01Å; F295-V351 HydrophobicContact CZ-CG1 4.04Å; F349-V351 HydrophobicContact CD2-CG2 4.06Å; F349-V351 HydrophobicContact CE2-CG2 3.57Å; V351-F362 HydrophobicContact CG1-CD1 4.47Å; V351-D363 CarbonylContact C-O 3.43Å; V351-D363 WeakPolarHBondContact CA-O 3.17Å
352R94.6Very high95.1Very high43 Ų4343 Ų4316%0.16221%0.21CC..EExtended strand (participates in β ladder)trans-84.4128.7172.8175.9159-67.6164.86.1109.7D281 L354 F362 D363 L365 E384D281-R352 WeakPolarHBondContact OD1-CB 3.35Å; D281-R352 WeakPolarHBondContact OD1-CG 3.49Å; D281-R352 IonicContact OD1-CZ 2.92Å; D281-R352 IonicContact OD1-NE 3.78Å; D281-R352 PolarHBondContact OD1-NE 2.79Å; D281-R352 IonicContact OD1-NH2 3.62Å; D281-R352 IonicContact OD2-CZ 2.88Å; D281-R352 IonicContact OD2-NE 3.68Å; D281-R352 IonicContact OD2-NH2 3.73Å; D281-R352 PolarHBondContact OD2-NH2 3.43Å; R352-L354 HydrophobicContact CG-CD2 4.22Å; R352-L354 HydrophobicContact CG-CG 4.08Å; R352-F362 VanDerWaalsContact O-CA 3.26Å; R352-F362 WeakPolarHBondContact O-CA 3.07Å; R352-D363 PolarHBondContact N-O 3.47Å; R352-D363 PolarHBondContact O-N 2.82Å; R352-L365 HydrophobicContact CB-CD2 3.93Å; R352-L365 HydrophobicContact CB-CG 4.2Å; R352-E384 IonicContact NH1-OE2 2.85Å; R352-E384 PolarHBondContact NH1-OE2 3.1Å
353Y95.6Very high95.1Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-112133.7171.2164.5-104.7000109.7V262 K263 F265 A279 L280 H355 M360 R361 F362V262-Y353 HydrophobicContact CG1-CD1 3.94Å; V262-Y353 HydrophobicContact CG1-CD2 3.54Å; V262-Y353 HydrophobicContact CG1-CE1 4.3Å; V262-Y353 HydrophobicContact CG1-CE2 3.92Å; V262-Y353 HydrophobicContact CG1-CG 3.52Å; K263-Y353 HydrophobicContact CB-CD1 4.47Å; K263-Y353 HydrophobicContact CB-CE1 3.74Å; K263-Y353 HydrophobicContact CD-CE1 4.32Å; K263-Y353 HydrophobicContact CG-CE1 3.98Å; F265-Y353 WeakPolarHBondContact CZ-OH 3.26Å; A279-Y353 CarbonylContact C-O 3.58Å; A279-Y353 WeakPolarHBondContact CA-O 3.43Å; L280-Y353 HydrophobicContact CB-CD1 4.07Å; L280-Y353 HydrophobicContact CD1-CD1 4.03Å; L280-Y353 HydrophobicContact CD1-CE1 4.35Å; L280-Y353 HydrophobicContact CG-CD1 4.14Å; L280-Y353 PolarHBondContact N-O 2.95Å; L280-Y353 PolarHBondContact O-N 2.95Å; Y353-H355 AromaticContact CE1-CD2 3.56Å; Y353-H355 HydrophobicContact CE2-CB 4.41Å; Y353-H355 AromaticContact CZ-CD2 3.63Å; Y353-H355 WeakPolarHBondContact OH-CB 3.38Å; Y353-H355 PolarHBondContact OH-CD2 3.48Å; Y353-M360 HydrophobicContact CE2-CB 4.06Å; Y353-M360 HydrophobicContact CE2-CG 3.94Å; Y353-M360 HydrophobicContact CE2-SD 3.81Å; Y353-R361 WeakPolarHBondContact CA-O 3.39Å; Y353-F362 HydrophobicContact CD2-CD1 4.09Å; Y353-F362 AromaticContact CD2-CE1 3.42Å; Y353-F362 HydrophobicContact CD2-CE1 3.42Å; Y353-F362 VanDerWaalsContact CD2-CE1 3.42Å; Y353-F362 HydrophobicContact CD2-CE2 4.33Å; Y353-F362 AromaticContact CD2-CZ 3.55Å; Y353-F362 HydrophobicContact CD2-CZ 3.55Å; Y353-F362 HydrophobicContact CE2-CE1 4.18Å; Y353-F362 AromaticContact CE2-CZ 3.88Å; Y353-F362 HydrophobicContact CE2-CZ 3.88Å; Y353-F362 HydrophobicContact CG-CE1 4.25Å
354L95.5Very high95Very high1 Ų136.7 Ų36.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-131.6145175.5-56.6165.2000108.6A279 R352 M360 R361 V381 E384 M385 L388A279-L354 HydrophobicContact CB-CD2 3.55Å; R352-L354 HydrophobicContact CG-CD2 4.22Å; R352-L354 HydrophobicContact CG-CG 4.08Å; L354-M360 CarbonylContact O-C 3.53Å; L354-M360 WeakPolarHBondContact O-CA 3.2Å; L354-R361 HydrophobicContact CB-CB 4.27Å; L354-R361 PolarHBondContact N-O 2.85Å; L354-R361 PolarHBondContact O-N 2.79Å; L354-V381 HydrophobicContact CB-CG1 4.45Å; L354-V381 HydrophobicContact CD2-CG1 4.49Å; L354-E384 HydrophobicContact CD1-CB 3.68Å; L354-E384 HydrophobicContact CD2-CB 4.35Å; L354-M385 HydrophobicContact CB-CG 4.03Å; L354-M385 HydrophobicContact CD1-CG 4.17Å; L354-L388 HydrophobicContact CD1-CD1 3.98Å
355H95.8Very high94.7Very high1 Ų135 Ų351%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-144.2150.3163.176.895.1000112.4I154 F265 N277 D278 Y353 S359 M360 V381I154-H355 HydrophobicContact CD1-CB 4.09Å; F265-H355 AromaticContact CE1-CE1 3.75Å; F265-H355 AromaticContact CE1-NE2 3.94Å; N277-H355 WeakPolarHBondContact CA-O 3.43Å; D278-H355 WeakPolarHBondContact CB-NE2 3.4Å; D278-H355 PolarHBondContact N-O 3.13Å; D278-H355 VanDerWaalsContact N-O 3.12Å; D278-H355 PolarHBondContact O-N 3.44Å; Y353-H355 AromaticContact CE1-CD2 3.56Å; Y353-H355 HydrophobicContact CE2-CB 4.41Å; Y353-H355 AromaticContact CZ-CD2 3.63Å; Y353-H355 WeakPolarHBondContact OH-CB 3.38Å; Y353-H355 PolarHBondContact OH-CD2 3.48Å; H355-S359 WeakPolarHBondContact CA-O 3.35Å; H355-S359 WeakPolarHBondContact CB-O 3.13Å; H355-M360 HydrophobicContact CB-CG 4.09Å; H355-V381 WeakPolarHBondContact O-CG1 3.46Å
356D95Very high93.6Very high51 Ų5134.6 Ų34.627%0.27319%0.188SC..  trans-103.3-154.8161.364.721.6000109.9L276 L358 S359 M385L276-D356 CarbonylContact O-C 3.57Å; L276-D356 VanDerWaalsContact O-CA 3.3Å; L276-D356 WeakPolarHBondContact O-CA 3.41Å; D356-L358 VanDerWaalsContact C-N 3.27Å; D356-L358 PolarHBondContact O-N 3.33Å; D356-L358 PolarHBondContact OD1-N 3.24Å; D356-S359 PolarHBondContact N-O 3.25Å; D356-S359 VanDerWaalsContact N-O 3.07Å; D356-S359 WeakPolarHBondContact OD1-CB 3.48Å; D356-S359 PolarHBondContact OD1-N 2.96Å; D356-M385 HydrophobicContact CB-CE 4.05Å; D356-M385 HydrophobicContact CB-SD 3.88Å; D356-M385 VanDerWaalsContact OD2-CE 3.26Å; D356-M385 WeakPolarHBondContact OD2-CE 3.46Å
357S95.2Very high92Very high23 Ų2335.1 Ų35.116%0.16120%0.196CC..SBendtrans-76.6-13-177.851.60000113.9E160 L276E160-S357 WeakPolarHBondContact OE1-CB 3.28Å; E160-S357 PolarHBondContact OE1-OG 3.49Å; E160-S357 VanDerWaalsContact OE1-OG 3.1Å; L276-S357 PolarHBondContact O-N 2.75Å
358L94.8Very high89.9Confident79 Ų7931.9 Ų31.941%0.41418%0.183SC..SBendtrans-136-9.9-169.9-61.3175000114.2G155 D356G155-L358 VanDerWaalsContact CA-O 3.29Å; G155-L358 WeakPolarHBondContact CA-O 3.41Å; D356-L358 VanDerWaalsContact C-N 3.27Å; D356-L358 PolarHBondContact O-N 3.33Å; D356-L358 PolarHBondContact OD1-N 3.24Å
359S94.7Very high87.6Confident25 Ų2536.3 Ų36.318%0.17520%0.204CC..  trans-150.3145.8-166.5-89.80000112.8H355 D356 R361H355-S359 WeakPolarHBondContact CA-O 3.35Å; H355-S359 WeakPolarHBondContact CB-O 3.13Å; D356-S359 PolarHBondContact N-O 3.25Å; D356-S359 VanDerWaalsContact N-O 3.07Å; D356-S359 WeakPolarHBondContact OD1-CB 3.48Å; D356-S359 PolarHBondContact OD1-N 2.96Å; S359-R361 PolarHBondContact OG-NH2 2.91Å
360M95.2Very high85.6Confident2 Ų241.4 Ų41.41%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-112.7150.1174.7-58.9-175.7-172.700112E152 L153 I154 V183 F265 Y335 Y353 L354 H355 F362E152-M360 WeakPolarHBondContact O-CE 3.27Å; L153-M360 HydrophobicContact CB-CE 4.34Å; I154-M360 HydrophobicContact CD1-CE 3.88Å; I154-M360 HydrophobicContact CD1-CG 4.03Å; I154-M360 HydrophobicContact CG1-CE 3.97Å; I154-M360 HydrophobicContact CG2-CE 4.17Å; V183-M360 HydrophobicContact CG1-SD 4.45Å; V183-M360 HydrophobicContact CG2-CE 3.96Å; V183-M360 HydrophobicContact CG2-SD 4.4Å; F265-M360 HydrophobicContact CE2-CE 3.87Å; F265-M360 HydrophobicContact CZ-CE 3.92Å; Y335-M360 VanDerWaalsContact CE1-O 3.24Å; Y335-M360 WeakPolarHBondContact CE1-O 3.39Å; Y353-M360 HydrophobicContact CE2-CB 4.06Å; Y353-M360 HydrophobicContact CE2-CG 3.94Å; Y353-M360 HydrophobicContact CE2-SD 3.81Å; L354-M360 CarbonylContact O-C 3.53Å; L354-M360 WeakPolarHBondContact O-CA 3.2Å; H355-M360 HydrophobicContact CB-CG 4.09Å; M360-F362 HydrophobicContact CB-CE2 3.88Å; M360-F362 HydrophobicContact CB-CZ 4.4Å; M360-F362 HydrophobicContact SD-CZ 4.49Å
361R94.7Very high83.6Confident28 Ų2848 Ų4811%0.10626%0.263CS..EExtended strand (participates in β ladder)trans-135.7150.2173.1-54.7-70176.3-93.5-8.1110.8P228 Y353 L354 S359 M385 L388P228-R361 PolarHBondContact O-NH1 2.79Å; Y353-R361 WeakPolarHBondContact CA-O 3.39Å; L354-R361 HydrophobicContact CB-CB 4.27Å; L354-R361 PolarHBondContact N-O 2.85Å; L354-R361 PolarHBondContact O-N 2.79Å; S359-R361 PolarHBondContact OG-NH2 2.91Å; R361-M385 HydrophobicContact CG-CE 4.03Å; R361-M385 HydrophobicContact CG-CG 4.09Å; R361-L388 HydrophobicContact CB-CD1 3.75Å; R361-L388 HydrophobicContact CG-CD1 4.36Å
362F95Very high81.7Confident8 Ų850.9 Ų50.94%0.03529%0.286CS..EExtended strand (participates in β ladder)trans-137.4137.8-178.8-60-93000110.1L185 V262 F295 V297 Y335 V351 R352 Y353 M360L185-F362 HydrophobicContact CD1-CD1 3.33Å; L185-F362 HydrophobicContact CD1-CE1 3.53Å; L185-F362 HydrophobicContact CD1-CG 4.11Å; L185-F362 HydrophobicContact CD1-CZ 4.47Å; V262-F362 HydrophobicContact CG1-CE1 3.92Å; V262-F362 HydrophobicContact CG1-CZ 4.46Å; V262-F362 HydrophobicContact CG2-CE1 4.28Å; F295-F362 HydrophobicContact CD2-CB 3.51Å; F295-F362 HydrophobicContact CD2-CG 4.43Å; F295-F362 HydrophobicContact CE2-CB 3.63Å; F295-F362 HydrophobicContact CG-CB 4.17Å; F295-F362 HydrophobicContact CZ-CB 4.38Å; V297-F362 HydrophobicContact CG1-CE2 4.31Å; V297-F362 HydrophobicContact CG1-CZ 3.99Å; V297-F362 HydrophobicContact CG2-CD2 4.33Å; V297-F362 HydrophobicContact CG2-CE1 4.27Å; V297-F362 HydrophobicContact CG2-CE2 3.87Å; V297-F362 HydrophobicContact CG2-CZ 3.82Å; Y335-F362 HydrophobicContact CD1-CD2 4.01Å; Y335-F362 HydrophobicContact CD1-CE2 4.49Å; Y335-F362 AromaticContact CD2-CD2 3.51Å; Y335-F362 HydrophobicContact CD2-CD2 3.51Å; Y335-F362 AromaticContact CD2-CE2 3.61Å; Y335-F362 HydrophobicContact CD2-CE2 3.61Å; Y335-F362 HydrophobicContact CE1-CD2 4.37Å; Y335-F362 HydrophobicContact CE1-CE2 4.45Å; Y335-F362 AromaticContact CE2-CD2 3.89Å; Y335-F362 HydrophobicContact CE2-CD2 3.89Å; Y335-F362 AromaticContact CE2-CE2 3.53Å; Y335-F362 HydrophobicContact CE2-CE2 3.53Å; Y335-F362 AromaticContact CG-CD2 3.55Å; Y335-F362 HydrophobicContact CG-CD2 3.55Å; Y335-F362 HydrophobicContact CG-CE2 4.09Å; Y335-F362 AromaticContact CZ-CE2 3.98Å; V351-F362 HydrophobicContact CG1-CD1 4.47Å; R352-F362 VanDerWaalsContact O-CA 3.26Å; R352-F362 WeakPolarHBondContact O-CA 3.07Å; Y353-F362 HydrophobicContact CD2-CD1 4.09Å; Y353-F362 AromaticContact CD2-CE1 3.42Å; Y353-F362 HydrophobicContact CD2-CE1 3.42Å; Y353-F362 VanDerWaalsContact CD2-CE1 3.42Å; Y353-F362 HydrophobicContact CD2-CE2 4.33Å; Y353-F362 AromaticContact CD2-CZ 3.55Å; Y353-F362 HydrophobicContact CD2-CZ 3.55Å; Y353-F362 HydrophobicContact CE2-CE1 4.18Å; Y353-F362 AromaticContact CE2-CZ 3.88Å; Y353-F362 HydrophobicContact CE2-CZ 3.88Å; Y353-F362 HydrophobicContact CG-CE1 4.25Å; M360-F362 HydrophobicContact CB-CE2 3.88Å; M360-F362 HydrophobicContact CB-CZ 4.4Å; M360-F362 HydrophobicContact SD-CZ 4.49Å
363D94.1Very high79.8Confident26 Ų2658.3 Ų58.314%0.13932%0.319CS..EExtended strand (participates in β ladder)trans-149.6163.4170.5-158.614.5000111.5P337 K338 V351 R352 L388P337-D363 WeakPolarHBondContact CA-OD1 3.44Å; K338-D363 PolarHBondContact N-OD1 2.82Å; V351-D363 CarbonylContact C-O 3.43Å; V351-D363 WeakPolarHBondContact CA-O 3.17Å; R352-D363 PolarHBondContact N-O 3.47Å; R352-D363 PolarHBondContact O-N 2.82Å; D363-L388 HydrophobicContact CB-CD2 4.24Å
364I94.1Very high78.1Confident7 Ų761.2 Ų61.24%0.03634%0.338CS..EExtended strand (participates in β ladder)trans-98.3126.6174-58.2-175.3000109A292 F295 P337 H341 F349 S366A292-I364 HydrophobicContact CB-CD1 3.6Å; F295-I364 HydrophobicContact CE1-CD1 4.38Å; F295-I364 HydrophobicContact CE1-CG1 4.11Å; F295-I364 HydrophobicContact CZ-CD1 4.21Å; F295-I364 HydrophobicContact CZ-CG1 3.6Å; P337-I364 HydrophobicContact CB-CG1 4.23Å; H341-I364 HydrophobicContact CB-CD1 4Å; H341-I364 HydrophobicContact CB-CG2 4.47Å; F349-I364 HydrophobicContact CD2-CG2 4.24Å; F349-I364 HydrophobicContact CE2-CD1 4.44Å; I364-S366 PolarHBondContact O-N 2.89Å
365L89.3Confident76.9Confident40 Ų4066 Ų6621%0.20936%0.364CS..  trans-74.9129177.8-58.9-178.9000110.8M350 R352 V367M350-L365 HydrophobicContact CB-CB 4.22Å; M350-L365 HydrophobicContact CB-CD1 3.93Å; M350-L365 HydrophobicContact CB-CG 4.28Å; M350-L365 PolarHBondContact O-N 2.87Å; R352-L365 HydrophobicContact CB-CD2 3.93Å; R352-L365 HydrophobicContact CB-CG 4.2Å; L365-V367 PolarHBondContact O-N 3.29Å
366S71.7Confident76.1Confident94 Ų9467.3 Ų67.366%0.65737%0.372SS*.SBendtrans-72.4110.4174.2-640000110I364I364-S366 PolarHBondContact O-N 2.89Å
367V62.4Low75.2Confident130 Ų13069.6 Ų69.679%0.78839%0.392SS*.SBendtrans61.997.4174-164.70000113.9L365 N369L365-V367 PolarHBondContact O-N 3.29Å; V367-N369 PolarHBondContact O-N 3.11Å; V367-N369 VanDerWaalsContact O-N 3.16Å
368P51.6Low74.3Confident37 Ų3773.2 Ų73.224%0.2442%0.417CS..  trans-66.4119.4173.7-11.125.6000109M350 F370M350-P368 HydrophobicContact CG-CB 4.05Å; M350-P368 HydrophobicContact CG-CG 3.98Å; P368-F370 HydrophobicContact CB-CD1 4.25Å; P368-F370 HydrophobicContact CB-CD2 3.79Å; P368-F370 HydrophobicContact CB-CE1 4.18Å; P368-F370 HydrophobicContact CB-CE2 3.71Å; P368-F370 HydrophobicContact CB-CG 4.07Å; P368-F370 HydrophobicContact CB-CZ 3.91Å; P368-F370 HydrophobicContact CG-CD2 4.29Å; P368-F370 HydrophobicContact CG-CE1 4.33Å; P368-F370 HydrophobicContact CG-CE2 3.68Å; P368-F370 HydrophobicContact CG-CZ 3.71Å; P368-F370 WeakPolarHBondContact O-CD2 3.14Å; P368-F370 PolarHBondContact O-N 2.95Å
369N46.1Very low73.8Confident133 Ų13371.4 Ų71.471%0.71141%0.408SS*.  trans-71.480.2156.9-135.8-0.9000105.8V367 N371 A372V367-N369 PolarHBondContact O-N 3.11Å; V367-N369 VanDerWaalsContact O-N 3.16Å; N369-N371 PolarHBondContact O-N 3.11Å; N369-A372 PolarHBondContact O-N 3.24Å
370F51.7Low73.6Confident120 Ų12074.9 Ų74.953%0.52642%0.424SS..THydrogen-bonded Turntrans-52.7-16.8-173.3-79.1-83.2000114P368P368-F370 HydrophobicContact CB-CD1 4.25Å; P368-F370 HydrophobicContact CB-CD2 3.79Å; P368-F370 HydrophobicContact CB-CE1 4.18Å; P368-F370 HydrophobicContact CB-CE2 3.71Å; P368-F370 HydrophobicContact CB-CG 4.07Å; P368-F370 HydrophobicContact CB-CZ 3.91Å; P368-F370 HydrophobicContact CG-CD2 4.29Å; P368-F370 HydrophobicContact CG-CE1 4.33Å; P368-F370 HydrophobicContact CG-CE2 3.68Å; P368-F370 HydrophobicContact CG-CZ 3.71Å; P368-F370 WeakPolarHBondContact O-CD2 3.14Å; P368-F370 PolarHBondContact O-N 2.95Å
371N53Low73.3Confident161 Ų16175.4 Ų75.486%0.86143%0.428SS*.THydrogen-bonded Turntrans-78.5-13.5177.3-69.4-23.6000114.7N369N369-N371 PolarHBondContact O-N 3.11Å
372A55Low73Confident59 Ų5983.1 Ų83.149%0.48846%0.457SS..SBendtrans-111.5116.4171.600000108.5N369 P374N369-A372 PolarHBondContact O-N 3.24Å; A372-P374 WeakPolarHBondContact O-CD 3.1Å; A372-P374 VanDerWaalsContact O-N 3.14Å
373K55.6Low72.7Confident199 Ų19986.9 Ų86.987%0.86548%0.477SS*.  trans-57.8119.1158.8-82.9-175.6176-178.90106.2D375K373-D375 PolarHBondContact O-N 3.35Å
374P59.3Low72.5Confident62 Ų6288.3 Ų88.340%0.40348%0.483SS..  trans-58.7117.1172.7-18.530.8000107.6D281 A372 T376D281-P374 HydrophobicContact CB-CB 4.42Å; D281-P374 HydrophobicContact CB-CG 4.27Å; D281-P374 WeakPolarHBondContact OD2-CB 3.25Å; D281-P374 WeakPolarHBondContact OD2-CG 3.45Å; A372-P374 WeakPolarHBondContact O-CD 3.1Å; A372-P374 VanDerWaalsContact O-N 3.14Å; P374-T376 PolarHBondContact O-N 3.03Å; P374-T376 VanDerWaalsContact O-N 3.16Å
375D69.8Low72.3Confident100 Ų10088.8 Ų88.854%0.53549%0.485SS..  trans-82.589.8173.8-175.27.1000108.9K373 S377 S378K373-D375 PolarHBondContact O-N 3.35Å; D375-S377 VanDerWaalsContact CG-OG 3.23Å; D375-S377 PolarHBondContact O-N 3.45Å; D375-S377 WeakPolarHBondContact OD1-CB 3.31Å; D375-S377 PolarHBondContact OD1-N 3.06Å; D375-S377 PolarHBondContact OD1-OG 3.06Å; D375-S377 PolarHBondContact OD2-OG 3.03Å; D375-S378 PolarHBondContact O-OG 3.29Å
376T80Confident72.2Confident30 Ų3090.4 Ų90.418%0.18450%0.5CS..G310 helixtrans-68.8-9.4177.363.40000113.5A279 D281 P374 S378 L379A279-T376 HydrophobicContact CB-CG2 4.44Å; A279-T376 VanDerWaalsContact O-CB 3.31Å; A279-T376 WeakPolarHBondContact O-CB 3.3Å; A279-T376 PolarHBondContact O-OG1 3.2Å; D281-T376 HydrophobicContact CB-CG2 4.38Å; P374-T376 PolarHBondContact O-N 3.03Å; P374-T376 VanDerWaalsContact O-N 3.16Å; T376-S378 PolarHBondContact O-N 3.26Å; T376-L379 HydrophobicContact CG2-CD1 3.98Å; T376-L379 PolarHBondContact O-N 2.85Å
377S74.9Confident73Confident99 Ų9989.8 Ų89.869%0.69250%0.495SS*.G310 helixtrans-68.6-22.3179.375.40000113.7D375D375-S377 VanDerWaalsContact CG-OG 3.23Å; D375-S377 PolarHBondContact O-N 3.45Å; D375-S377 WeakPolarHBondContact OD1-CB 3.31Å; D375-S377 PolarHBondContact OD1-N 3.06Å; D375-S377 PolarHBondContact OD1-OG 3.06Å; D375-S377 PolarHBondContact OD2-OG 3.03Å
378S77.5Confident74.1Confident98 Ų9885 Ų8569%0.68546%0.464SS*.G310 helixtrans-97.1-4.4178.867.50000114.3D375 T376D375-S378 PolarHBondContact O-OG 3.29Å; T376-S378 PolarHBondContact O-N 3.26Å
379L84.7Confident75.8Confident41 Ų4185.4 Ų85.422%0.21547%0.468CS..  trans-73.5129.5-176.3-101.5139.3000111.2T376 V381 E384T376-L379 HydrophobicContact CG2-CD1 3.98Å; T376-L379 PolarHBondContact O-N 2.85Å; L379-V381 PolarHBondContact O-N 2.98Å; L379-E384 HydrophobicContact CD2-CG 3.33Å
380D89.3Confident78Confident98 Ų9879.1 Ų79.152%0.52444%0.435SS..  trans-76.592.8168.5-176-8.7000109.6R382 N383 E384D380-R382 PolarHBondContact O-N 3.49Å; D380-R382 PolarHBondContact OD1-N 2.84Å; D380-R382 VanDerWaalsContact OD1-N 3.1Å; D380-N383 HydrophobicContact CB-CB 3.99Å; D380-N383 PolarHBondContact O-N 2.92Å; D380-N383 VanDerWaalsContact O-N 3.14Å; D380-N383 PolarHBondContact OD1-N 3.36Å; D380-E384 WeakPolarHBondContact O-CG 3.33Å; D380-E384 PolarHBondContact O-N 3.15Å
381V90.1Very high79.9Confident13 Ų1376.9 Ų76.98%0.07943%0.434CS..Hα-helixtrans-54.1-38.2-179.2-178.30000112N277 A279 L354 H355 L379 E384 M385N277-V381 HydrophobicContact CB-CB 4.43Å; N277-V381 HydrophobicContact CB-CG1 4.31Å; A279-V381 HydrophobicContact CB-CG2 4.12Å; L354-V381 HydrophobicContact CB-CG1 4.45Å; L354-V381 HydrophobicContact CD2-CG1 4.49Å; H355-V381 WeakPolarHBondContact O-CG1 3.46Å; L379-V381 PolarHBondContact O-N 2.98Å; V381-E384 PolarHBondContact O-N 2.94Å; V381-M385 HydrophobicContact CG1-CG 4.25Å; V381-M385 HydrophobicContact CG1-SD 3.84Å; V381-M385 WeakPolarHBondContact O-CB 3.39Å; V381-M385 VanDerWaalsContact O-CG 3.25Å; V381-M385 WeakPolarHBondContact O-CG 3.49Å; V381-M385 PolarHBondContact O-N 2.86Å
382R87.5Confident81.7Confident191 Ų19169.3 Ų69.372%0.72139%0.393SS*.Hα-helixtrans-67.3-42.8-178.3-69.7-178.7-179.6-98.3-1.6110.9D380 S386D380-R382 PolarHBondContact O-N 3.49Å; D380-R382 PolarHBondContact OD1-N 2.84Å; D380-R382 VanDerWaalsContact OD1-N 3.1Å; R382-S386 WeakPolarHBondContact O-CB 3.24Å; R382-S386 PolarHBondContact O-N 3.1Å; R382-S386 VanDerWaalsContact O-N 3.08Å
383N89.9Confident83.4Confident87 Ų8768.7 Ų68.747%0.46538%0.382SS..Hα-helixtrans-65.8-44.8177.8-173.158.8000111.6D380 M385 S386 C387D380-N383 HydrophobicContact CB-CB 3.99Å; D380-N383 PolarHBondContact O-N 2.92Å; D380-N383 VanDerWaalsContact O-N 3.14Å; D380-N383 PolarHBondContact OD1-N 3.36Å; N383-M385 PolarHBondContact O-N 2.86Å; N383-S386 WeakPolarHBondContact O-CB 3.49Å; N383-S386 PolarHBondContact O-N 2.64Å; N383-C387 PolarHBondContact O-N 2.88Å; N383-C387 PolarHBondContact O-SG 3.33Å; N383-C387 VanDerWaalsContact O-SG 3.38Å
384E89.8Confident85.2Confident56 Ų5659.2 Ų59.226%0.26234%0.341SS..Hα-helixtrans-62.6-43177.8-66.3-77129.100112.4R352 L354 L379 D380 V381 S386 C387 L388R352-E384 IonicContact NH1-OE2 2.85Å; R352-E384 PolarHBondContact NH1-OE2 3.1Å; L354-E384 HydrophobicContact CD1-CB 3.68Å; L354-E384 HydrophobicContact CD2-CB 4.35Å; L379-E384 HydrophobicContact CD2-CG 3.33Å; D380-E384 WeakPolarHBondContact O-CG 3.33Å; D380-E384 PolarHBondContact O-N 3.15Å; V381-E384 PolarHBondContact O-N 2.94Å; E384-S386 VanDerWaalsContact C-N 3.28Å; E384-S386 PolarHBondContact O-N 2.9Å; E384-C387 WeakPolarHBondContact O-CB 3.48Å; E384-C387 PolarHBondContact O-N 2.79Å; E384-L388 PolarHBondContact O-N 3.1Å
385M89.5Confident86.9Confident17 Ų1756.6 Ų56.68%0.08432%0.323CS..Hα-helixtrans-62.4-36.5175.6-72.8-178.869.300111.7L354 D356 R361 V381 N383 L388L354-M385 HydrophobicContact CB-CG 4.03Å; L354-M385 HydrophobicContact CD1-CG 4.17Å; D356-M385 HydrophobicContact CB-CE 4.05Å; D356-M385 HydrophobicContact CB-SD 3.88Å; D356-M385 VanDerWaalsContact OD2-CE 3.26Å; D356-M385 WeakPolarHBondContact OD2-CE 3.46Å; R361-M385 HydrophobicContact CG-CE 4.03Å; R361-M385 HydrophobicContact CG-CG 4.09Å; V381-M385 HydrophobicContact CG1-CG 4.25Å; V381-M385 HydrophobicContact CG1-SD 3.84Å; V381-M385 WeakPolarHBondContact O-CB 3.39Å; V381-M385 VanDerWaalsContact O-CG 3.25Å; V381-M385 WeakPolarHBondContact O-CG 3.49Å; V381-M385 PolarHBondContact O-N 2.86Å; N383-M385 PolarHBondContact O-N 2.86Å; M385-L388 PolarHBondContact O-N 2.8Å
386S87.5Confident88Confident73 Ų7359.1 Ų59.151%0.5133%0.325SS..Hα-helixtrans-63.9-38.4174.6-172.90000112.3R382 N383 E384 L388 S389R382-S386 WeakPolarHBondContact O-CB 3.24Å; R382-S386 PolarHBondContact O-N 3.1Å; R382-S386 VanDerWaalsContact O-N 3.08Å; N383-S386 WeakPolarHBondContact O-CB 3.49Å; N383-S386 PolarHBondContact O-N 2.64Å; E384-S386 VanDerWaalsContact C-N 3.28Å; E384-S386 PolarHBondContact O-N 2.9Å; S386-L388 PolarHBondContact O-N 3.04Å; S386-S389 WeakPolarHBondContact O-CB 3.43Å; S386-S389 PolarHBondContact O-N 3.16Å; S386-S389 PolarHBondContact O-OG 2.66Å
387C86.9Confident88.6Confident81 Ų8159 Ų5955%0.54733%0.325SS..Hα-helixtrans-66.2-17.8175.7-66.90000114N383 E384 S389N383-C387 PolarHBondContact O-N 2.88Å; N383-C387 PolarHBondContact O-SG 3.33Å; N383-C387 VanDerWaalsContact O-SG 3.38Å; E384-C387 WeakPolarHBondContact O-CB 3.48Å; E384-C387 PolarHBondContact O-N 2.79Å; C387-S389 VanDerWaalsContact C-N 3.31Å
388L86.3Confident89.5Confident29 Ų2954.5 Ų54.515%0.15229%0.293CS..THydrogen-bonded Turntrans-94.123.6175.6-65.3175.1000113L354 R361 D363 E384 M385 S386L354-L388 HydrophobicContact CD1-CD1 3.98Å; R361-L388 HydrophobicContact CB-CD1 3.75Å; R361-L388 HydrophobicContact CG-CD1 4.36Å; D363-L388 HydrophobicContact CB-CD2 4.24Å; E384-L388 PolarHBondContact O-N 3.1Å; M385-L388 PolarHBondContact O-N 2.8Å; S386-L388 PolarHBondContact O-N 3.04Å
389S87.9Confident90.3Very high46 Ų4652.1 Ų52.132%0.32227%0.274SS..SBendtrans-95.2160.7176.165.80000113.1G226 S386 C387 S391G226-S389 CarbonylContact O-C 3.42Å; S386-S389 WeakPolarHBondContact O-CB 3.43Å; S386-S389 PolarHBondContact O-N 3.16Å; S386-S389 PolarHBondContact O-OG 2.66Å; C387-S389 VanDerWaalsContact C-N 3.31Å; S389-S391 PolarHBondContact O-N 3.17Å
390C92.9Very high90.8Very high2 Ų251.7 Ų51.71%0.01427%0.27CS..  trans-68128.6178.2172.60000111.1C224 G226 L227 H395 R396C224-C390 VanDerWaalsContact SG-CA 3.57Å; C224-C390 VanDerWaalsContact SG-SG 3.62Å; G226-C390 VanDerWaalsContact O-CA 3.28Å; G226-C390 WeakPolarHBondContact O-CA 3.43Å; G226-C390 WeakPolarHBondContact O-CB 3.34Å; G226-C390 PolarHBondContact O-N 2.66Å; L227-C390 HydrophobicContact CD2-CB 4.48Å; C390-H395 HydrophobicContact CB-CB 4.23Å; C390-R396 HydrophobicContact CB-CG 4.15Å; C390-R396 PolarHBondContact O-NE 2.94Å; C390-R396 PolarHBondContact O-NH2 3.15Å
391S90.1Very high90.9Very high73 Ų7349.2 Ų49.251%0.5126%0.258SS..  trans-112.8-5178.3630000115C224 S389C224-S391 PolarHBondContact SG-N 3.02Å; S389-S391 PolarHBondContact O-N 3.17Å
392C91.6Very high91.2Very high1 Ų148.6 Ų48.61%0.00726%0.255CS..SBendtrans-107.22.5-17270.10000115.3E220 I221 C224 L394 H395 L474E220-C392 HydrophobicContact CB-CB 4.22Å; E220-C392 WeakPolarHBondContact O-CB 3.25Å; I221-C392 HydrophobicContact CB-CB 4.35Å; I221-C392 HydrophobicContact CG1-CB 3.83Å; C224-C392 HydrophobicContact CB-CB 3.85Å; C224-C392 PolarHBondContact SG-SG 2.79Å; C392-L394 PolarHBondContact O-N 2.94Å; C392-H395 PolarHBondContact SG-ND1 3.12Å; C392-L474 WeakPolarHBondContact O-CD1 3.25Å
393D90.5Very high91.5Very high46 Ų4639.5 Ų39.525%0.24622%0.221CC..SBendtrans61.9-29.5-172.3-56.1-43.5000116.2H395 R396 V397 R477D393-H395 PolarHBondContact O-N 3.07Å; D393-R396 WeakPolarHBondContact O-CB 3.34Å; D393-R396 PolarHBondContact O-N 3.42Å; D393-V397 WeakPolarHBondContact O-CG2 3.37Å; D393-V397 PolarHBondContact O-N 3.32Å; D393-V397 VanDerWaalsContact O-N 3.17Å; D393-R477 IonicContact OD2-CZ 3.72Å; D393-R477 IonicContact OD2-NH1 3.93Å; D393-R477 IonicContact OD2-NH2 3.79Å; D393-R477 PolarHBondContact OD2-NH2 2.89Å
394L94.3Very high91.8Very high0 Ų035.4 Ų35.40%020%0.198CC..Hα-helixtrans-49.7-53.3177.4-176.979.8000112.2L199 I221 C392 R396 V397 W398 I403 L474L199-L394 HydrophobicContact CD1-CD1 4.22Å; L199-L394 HydrophobicContact CD1-CD2 3.66Å; L199-L394 HydrophobicContact CG-CD2 4.03Å; I221-L394 HydrophobicContact CG1-CB 4.43Å; I221-L394 HydrophobicContact CG2-CD2 3.67Å; C392-L394 PolarHBondContact O-N 2.94Å; L394-R396 PolarHBondContact O-N 3.03Å; L394-V397 PolarHBondContact O-N 2.57Å; L394-W398 HydrophobicContact CD1-CB 4.16Å; L394-W398 HydrophobicContact CD1-CD2 3.45Å; L394-W398 VanDerWaalsContact CD1-CD2 3.45Å; L394-W398 HydrophobicContact CD1-CE3 3.47Å; L394-W398 VanDerWaalsContact CD1-CE3 3.47Å; L394-W398 HydrophobicContact CD1-CG 3.78Å; L394-W398 HydrophobicContact CD1-CZ3 4.02Å; L394-W398 HydrophobicContact CG-CB 4.49Å; L394-W398 WeakPolarHBondContact O-CB 3.18Å; L394-W398 PolarHBondContact O-N 3.07Å; L394-I403 HydrophobicContact CD2-CD1 4.5Å; L394-L474 HydrophobicContact CB-CD2 3.96Å; L394-L474 HydrophobicContact CD1-CD2 3.73Å; L394-L474 HydrophobicContact CG-CD2 4.46Å
395H94.3Very high92Very high7 Ų733 Ų333%0.03219%0.188CC..Hα-helixtrans-68.2-21.6-176.6-56.5101.1000113.4H197 R198 C224 L227 C390 C392 D393H197-H395 PolarHBondContact O-NE2 3.25Å; R198-H395 PolarHBondContact NH1-CE1 2.85Å; R198-H395 VanDerWaalsContact NH1-CE1 3.32Å; R198-H395 PolarHBondContact NH1-NE2 2.83Å; C224-H395 PolarHBondContact SG-ND1 2.76Å; L227-H395 WeakPolarHBondContact CD1-O 3.41Å; L227-H395 HydrophobicContact CG-CB 3.97Å; L227-H395 WeakPolarHBondContact CG-O 3.38Å; C390-H395 HydrophobicContact CB-CB 4.23Å; C392-H395 PolarHBondContact SG-ND1 3.12Å; D393-H395 PolarHBondContact O-N 3.07Å
396R92Very high92.2Very high153 Ų15332.2 Ų32.258%0.57718%0.184SC*.Hα-helixtrans-79.2-29177.2-64.3177.6-177.4-174.50.5112.2L227 C390 D393 L394L227-R396 HydrophobicContact CD2-CG 4.01Å; C390-R396 HydrophobicContact CB-CG 4.15Å; C390-R396 PolarHBondContact O-NE 2.94Å; C390-R396 PolarHBondContact O-NH2 3.15Å; D393-R396 WeakPolarHBondContact O-CB 3.34Å; D393-R396 PolarHBondContact O-N 3.42Å; L394-R396 PolarHBondContact O-N 3.03Å
397V93.4Very high92.5Very high29 Ų2929 Ų2918%0.17616%0.161CC..Hα-helixtrans-109.3-34.6-168.6-175.20000112.4D393 L394D393-V397 WeakPolarHBondContact O-CG2 3.37Å; D393-V397 PolarHBondContact O-N 3.32Å; D393-V397 VanDerWaalsContact O-N 3.17Å; L394-V397 PolarHBondContact O-N 2.57Å
398W94.4Very high92.7Very high4 Ų425.8 Ų25.82%0.01514%0.139CC..SBendtrans-100.5120.9-177.5-70.323.4000110.1F216 L394 I403 L406 C442 S471 L475F216-W398 HydrophobicContact CE1-CH2 4.1Å; F216-W398 AromaticContact CZ-CH2 3.79Å; F216-W398 HydrophobicContact CZ-CH2 3.79Å; F216-W398 HydrophobicContact CZ-CZ2 4.44Å; L394-W398 HydrophobicContact CD1-CB 4.16Å; L394-W398 HydrophobicContact CD1-CD2 3.45Å; L394-W398 VanDerWaalsContact CD1-CD2 3.45Å; L394-W398 HydrophobicContact CD1-CE3 3.47Å; L394-W398 VanDerWaalsContact CD1-CE3 3.47Å; L394-W398 HydrophobicContact CD1-CG 3.78Å; L394-W398 HydrophobicContact CD1-CZ3 4.02Å; L394-W398 HydrophobicContact CG-CB 4.49Å; L394-W398 WeakPolarHBondContact O-CB 3.18Å; L394-W398 PolarHBondContact O-N 3.07Å; W398-I403 HydrophobicContact CB-CD1 4.46Å; W398-I403 HydrophobicContact CB-CG1 4.19Å; W398-L406 HydrophobicContact CE3-CD1 3.81Å; W398-L406 HydrophobicContact CH2-CD1 4.39Å; W398-L406 HydrophobicContact CZ3-CD1 3.36Å; W398-C442 HydrophobicContact CD2-CB 3.66Å; W398-C442 VanDerWaalsContact CE2-CA 3.49Å; W398-C442 HydrophobicContact CE3-CB 4.12Å; W398-C442 HydrophobicContact CG-CB 3.92Å; W398-C442 VanDerWaalsContact CZ2-CA 3.47Å; W398-C442 HydrophobicContact CZ2-CB 4.17Å; W398-S471 PolarHBondContact NE1-OG 2.88Å; W398-L475 HydrophobicContact CH2-CD2 4.38Å; W398-L475 HydrophobicContact CZ2-CD2 3.88Å; W398-L475 HydrophobicContact CZ2-CG 4.31Å
399P93.3Very high92.9Very high47 Ų4728.3 Ų28.331%0.30516%0.159SC..  trans-59.4146.6179-26.636.4000112.9T401 R402 I403P399-T401 VanDerWaalsContact C-N 3.26Å; P399-T401 PolarHBondContact O-N 2.81Å; P399-R402 HydrophobicContact CB-CB 4.35Å; P399-R402 WeakPolarHBondContact O-CA 3.41Å; P399-R402 WeakPolarHBondContact O-CB 3.29Å; P399-R402 PolarHBondContact O-N 3.5Å; P399-I403 PolarHBondContact O-N 2.88Å
400R94.7Very high93Very high32 Ų3229.2 Ų29.212%0.12116%0.16CC..Hα-helixtrans-55.3-40.9179.1-67.6-170-178.6-79.36.3112.9H196 H197 S229 R402 I403 S404H196-R400 HydrophobicContact CB-CB 4.22Å; H196-R400 WeakPolarHBondContact O-CB 3.16Å; H196-R400 VanDerWaalsContact O-CG 3.3Å; H196-R400 WeakPolarHBondContact O-CG 3.28Å; H196-R400 PolarHBondContact O-NH1 3.06Å; H197-R400 PolarHBondContact ND1-NH1 3.2Å; S229-R400 PolarHBondContact O-NH2 3.42Å; R400-R402 VanDerWaalsContact C-N 3.27Å; R400-R402 PolarHBondContact O-N 2.78Å; R400-I403 PolarHBondContact O-N 3.35Å; R400-S404 PolarHBondContact O-N 2.7Å
401T93.2Very high93Very high46 Ų4629.1 Ų29.128%0.28216%0.16SC..Hα-helixtrans-60.7-38.1177.249.80000111.9P399 S404 E405 G711P399-T401 VanDerWaalsContact C-N 3.26Å; P399-T401 PolarHBondContact O-N 2.81Å; T401-S404 PolarHBondContact O-N 2.96Å; T401-E405 PolarHBondContact O-N 3.41Å; T401-G711 WeakPolarHBondContact CB-O 3.49Å; T401-G711 PolarHBondContact O-N 3.31Å; T401-G711 VanDerWaalsContact O-N 3.09Å
402R94.6Very high93.1Very high0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-71.4-43.4176.8-177.554.8179.3167.53112.4P399 R400 S404 E405 L406 C442 E522 Y524P399-R402 HydrophobicContact CB-CB 4.35Å; P399-R402 WeakPolarHBondContact O-CA 3.41Å; P399-R402 WeakPolarHBondContact O-CB 3.29Å; P399-R402 PolarHBondContact O-N 3.5Å; R400-R402 VanDerWaalsContact C-N 3.27Å; R400-R402 PolarHBondContact O-N 2.78Å; R402-S404 PolarHBondContact O-N 2.96Å; R402-E405 IonicContact CZ-OE2 2.81Å; R402-E405 IonicContact NH1-OE1 3.13Å; R402-E405 IonicContact NH1-OE2 3.72Å; R402-E405 PolarHBondContact NH1-OE2 2.85Å; R402-E405 PolarHBondContact O-N 3Å; R402-L406 WeakPolarHBondContact O-CG 3.3Å; R402-L406 PolarHBondContact O-N 2.88Å; R402-C442 HydrophobicContact CG-CB 3.89Å; R402-C442 PolarHBondContact NE-O 3.27Å; R402-C442 PolarHBondContact NH2-O 2.88Å; R402-E522 IonicContact CZ-OE1 3.15Å; R402-E522 IonicContact CZ-OE2 2.7Å; R402-E522 IonicContact NH1-OE1 2.66Å; R402-E522 PolarHBondContact NH1-OE1 3.04Å; R402-E522 IonicContact NH2-OE1 3.44Å; R402-E522 PolarHBondContact NH2-OE1 3.29Å; R402-E522 IonicContact NH2-OE2 2.79Å; R402-E522 PolarHBondContact NH2-OE2 3.15Å; R402-Y524 HydrophobicContact CB-CE1 4.48Å; R402-Y524 HydrophobicContact CB-CE2 4.24Å; R402-Y524 WeakPolarHBondContact CB-OH 3.46Å; R402-Y524 HydrophobicContact CG-CE1 3.89Å; R402-Y524 HydrophobicContact CG-CE2 4.15Å
403I95.3Very high93.1Very high1 Ų131.4 Ų31.41%0.00517%0.166CC..Hα-helixtrans-55.3-43.6172.2-62.9172.6000109.8S195 L199 L394 W398 P399 R400 N407S195-I403 CarbonylContact O-C 3.52Å; S195-I403 WeakPolarHBondContact O-CG2 3.4Å; L199-I403 HydrophobicContact CD2-CB 4.39Å; L199-I403 HydrophobicContact CD2-CG2 3.75Å; L199-I403 HydrophobicContact CG-CG2 4.23Å; L394-I403 HydrophobicContact CD2-CD1 4.5Å; W398-I403 HydrophobicContact CB-CD1 4.46Å; W398-I403 HydrophobicContact CB-CG1 4.19Å; P399-I403 PolarHBondContact O-N 2.88Å; R400-I403 PolarHBondContact O-N 3.35Å; I403-N407 PolarHBondContact O-N 3.19Å; I403-N407 PolarHBondContact O-ND2 2.98Å
404S95Very high93.1Very high0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-66.9-39.5177.5-172.40000113.5S195 H196 R400 T401 R402 N407 S408 R710S195-S404 WeakPolarHBondContact O-CA 3.45Å; S195-S404 PolarHBondContact O-N 2.6Å; S195-S404 VanDerWaalsContact O-N 3.15Å; S195-S404 PolarHBondContact OG-OG 2.93Å; H196-S404 PolarHBondContact CE1-OG 3.39Å; H196-S404 PolarHBondContact ND1-OG 2.8Å; R400-S404 PolarHBondContact O-N 2.7Å; T401-S404 PolarHBondContact O-N 2.96Å; R402-S404 PolarHBondContact O-N 2.96Å; S404-N407 WeakPolarHBondContact O-CB 3.26Å; S404-N407 PolarHBondContact O-N 3.15Å; S404-S408 PolarHBondContact O-N 3.49Å; S404-R710 WeakPolarHBondContact O-CD 3.33Å; S404-R710 PolarHBondContact O-NH1 3.3Å; S404-R710 VanDerWaalsContact OG-CD 3.26Å; S404-R710 WeakPolarHBondContact OG-CD 3.39Å; S404-R710 VanDerWaalsContact OG-CG 3.29Å; S404-R710 WeakPolarHBondContact OG-CG 3.27Å
405E94.4Very high93Very high7 Ų729.3 Ų29.33%0.03315%0.154CC..Hα-helixtrans-60.3-45.8176.8-170-176-176.700111.7T401 R402 N407 S408 Y411 Y690 P692T401-E405 PolarHBondContact O-N 3.41Å; R402-E405 IonicContact CZ-OE2 2.81Å; R402-E405 IonicContact NH1-OE1 3.13Å; R402-E405 IonicContact NH1-OE2 3.72Å; R402-E405 PolarHBondContact NH1-OE2 2.85Å; R402-E405 PolarHBondContact O-N 3Å; E405-N407 PolarHBondContact O-N 2.62Å; E405-N407 VanDerWaalsContact O-N 3.14Å; E405-S408 WeakPolarHBondContact O-CB 3.18Å; E405-S408 PolarHBondContact O-N 3.09Å; E405-S408 PolarHBondContact O-OG 3.33Å; E405-Y411 VanDerWaalsContact O-CB 3.24Å; E405-Y411 WeakPolarHBondContact O-CB 3.3Å; E405-Y690 PolarHBondContact OE1-OH 3.23Å; E405-Y690 VanDerWaalsContact OE1-OH 3.13Å; E405-P692 WeakPolarHBondContact OE1-CB 3.42Å
406L94.5Very high92.9Very high0 Ų030.4 Ų30.40%016%0.162CC..Hα-helixtrans-61.1-24.4179.1-68.6175.5000113.2L199 W398 R402 Y411 Y444L199-L406 HydrophobicContact CD2-CB 4.33Å; L199-L406 HydrophobicContact CD2-CD1 4.15Å; W398-L406 HydrophobicContact CE3-CD1 3.81Å; W398-L406 HydrophobicContact CH2-CD1 4.39Å; W398-L406 HydrophobicContact CZ3-CD1 3.36Å; R402-L406 WeakPolarHBondContact O-CG 3.3Å; R402-L406 PolarHBondContact O-N 2.88Å; L406-Y411 HydrophobicContact CD2-CD1 4.18Å; L406-Y411 HydrophobicContact CD2-CD2 4.03Å; L406-Y411 HydrophobicContact CD2-CE1 3.78Å; L406-Y411 HydrophobicContact CD2-CE2 3.59Å; L406-Y411 HydrophobicContact CD2-CG 4.3Å; L406-Y411 VanDerWaalsContact CD2-CZ 3.44Å; L406-Y411 WeakPolarHBondContact O-CD1 3.43Å; L406-Y444 HydrophobicContact CB-CD2 4.36Å; L406-Y444 HydrophobicContact CB-CE2 3.9Å; L406-Y444 HydrophobicContact CD2-CD2 4.18Å
407N93.5Very high92.9Very high6 Ų625.8 Ų25.83%0.03215%0.146CC..THydrogen-bonded Turntrans-81.3-15175.2-69.9-41.8000113.9S195 R198 F200 I403 S404 E405 K412S195-N407 PolarHBondContact O-ND2 3.4Å; S195-N407 VanDerWaalsContact O-ND2 3.1Å; R198-N407 PolarHBondContact O-ND2 3.46Å; F200-N407 WeakPolarHBondContact CB-OD1 3.47Å; F200-N407 HydrophobicContact CD2-CB 4.17Å; F200-N407 HydrophobicContact CG-CB 4.43Å; F200-N407 PolarHBondContact N-OD1 3.45Å; I403-N407 PolarHBondContact O-N 3.19Å; I403-N407 PolarHBondContact O-ND2 2.98Å; S404-N407 WeakPolarHBondContact O-CB 3.26Å; S404-N407 PolarHBondContact O-N 3.15Å; E405-N407 PolarHBondContact O-N 2.62Å; E405-N407 VanDerWaalsContact O-N 3.14Å; N407-K412 WeakPolarHBondContact O-CE 3.3Å; N407-K412 PolarHBondContact O-NZ 2.88Å
408S91.5Very high92.7Very high12 Ų1224.4 Ų24.48%0.08414%0.138CC..SBendtrans-70.8152.1-171.974.20000113.4S404 E405 D410 Y411 K412S404-S408 PolarHBondContact O-N 3.49Å; E405-S408 WeakPolarHBondContact O-CB 3.18Å; E405-S408 PolarHBondContact O-N 3.09Å; E405-S408 PolarHBondContact O-OG 3.33Å; S408-D410 PolarHBondContact O-N 3.41Å; S408-Y411 PolarHBondContact O-N 3.42Å; S408-Y411 WeakPolarHBondContact OG-CB 3.32Å; S408-Y411 PolarHBondContact OG-N 2.8Å; S408-K412 VanDerWaalsContact O-CG 3.31Å; S408-K412 WeakPolarHBondContact O-CG 3.42Å; S408-K412 PolarHBondContact O-N 3.24Å
409S90.5Very high92.6Very high82 Ų8224.3 Ų24.357%0.57314%0.137SC*.Hα-helixtrans-62.2-33.6169.544.90000112.2K412 T413S409-K412 PolarHBondContact O-N 3.16Å; S409-T413 WeakPolarHBondContact O-CB 3.24Å; S409-T413 PolarHBondContact O-N 2.77Å; S409-T413 PolarHBondContact O-OG1 3.41Å
410D90.1Very high92.4Very high65 Ų6524.5 Ų24.535%0.34814%0.135SC..Hα-helixtrans-61.3-48.9177.6-82.219000111.1S408 K412 T413 F414 Y690 K708S408-D410 PolarHBondContact O-N 3.41Å; D410-K412 PolarHBondContact O-N 2.79Å; D410-T413 PolarHBondContact O-N 2.83Å; D410-F414 VanDerWaalsContact O-CB 3.29Å; D410-F414 WeakPolarHBondContact O-CB 3.28Å; D410-F414 PolarHBondContact O-N 2.89Å; D410-Y690 HydrophobicContact CB-CE2 4.28Å; D410-K708 WeakPolarHBondContact OD2-CE 3.45Å; D410-K708 IonicContact OD2-NZ 3.86Å; D410-K708 PolarHBondContact OD2-NZ 2.87Å
411Y91.6Very high92.1Very high1 Ų123.2 Ų23.20%0.00413%0.131CC..Hα-helixtrans-63.4-39.9175.8179.5-92.8000112.5E405 L406 S408 T413 F414 S415 T443 Y444 E522E405-Y411 VanDerWaalsContact O-CB 3.24Å; E405-Y411 WeakPolarHBondContact O-CB 3.3Å; L406-Y411 HydrophobicContact CD2-CD1 4.18Å; L406-Y411 HydrophobicContact CD2-CD2 4.03Å; L406-Y411 HydrophobicContact CD2-CE1 3.78Å; L406-Y411 HydrophobicContact CD2-CE2 3.59Å; L406-Y411 HydrophobicContact CD2-CG 4.3Å; L406-Y411 VanDerWaalsContact CD2-CZ 3.44Å; L406-Y411 WeakPolarHBondContact O-CD1 3.43Å; S408-Y411 PolarHBondContact O-N 3.42Å; S408-Y411 WeakPolarHBondContact OG-CB 3.32Å; S408-Y411 PolarHBondContact OG-N 2.8Å; Y411-T413 VanDerWaalsContact C-N 3.35Å; Y411-T413 PolarHBondContact O-N 2.86Å; Y411-F414 AromaticContact CD2-CD1 3.85Å; Y411-F414 HydrophobicContact CD2-CD1 3.85Å; Y411-F414 HydrophobicContact CD2-CE1 4.4Å; Y411-F414 AromaticContact CE2-CD1 3.91Å; Y411-F414 HydrophobicContact CE2-CD1 3.91Å; Y411-F414 HydrophobicContact CE2-CE1 4.05Å; Y411-F414 WeakPolarHBondContact O-CB 3.11Å; Y411-F414 PolarHBondContact O-N 3.03Å; Y411-S415 WeakPolarHBondContact O-CB 3.3Å; Y411-S415 PolarHBondContact O-N 2.78Å; Y411-S415 PolarHBondContact O-OG 3.22Å; Y411-T443 PolarHBondContact OH-OG1 2.78Å; Y411-Y444 AromaticContact CE1-CD2 3.8Å; Y411-Y444 HydrophobicContact CE1-CD2 3.8Å; Y411-Y444 WeakPolarHBondContact OH-CB 3.43Å; Y411-Y444 PolarHBondContact OH-N 2.9Å; Y411-E522 WeakPolarHBondContact CE2-OE1 3.47Å; Y411-E522 WeakPolarHBondContact CE2-OE2 3.2Å
412K92.4Very high91.8Very high58 Ų5821 Ų2125%0.25212%0.118SC..Hα-helixtrans-63.1-41.5175.6-67.2171.4-165.1-178.20111.9F202 I204 N407 S408 S409 D410 S415 T416F202-K412 HydrophobicContact CD2-CD 3.95Å; F202-K412 HydrophobicContact CD2-CG 4.36Å; F202-K412 HydrophobicContact CE2-CD 3.76Å; F202-K412 HydrophobicContact CE2-CG 3.67Å; F202-K412 HydrophobicContact CG-CD 4.44Å; F202-K412 HydrophobicContact CZ-CD 4.1Å; F202-K412 VanDerWaalsContact CZ-CE 3.45Å; F202-K412 HydrophobicContact CZ-CG 3.87Å; I204-K412 HydrophobicContact CD1-CB 4.42Å; N407-K412 WeakPolarHBondContact O-CE 3.3Å; N407-K412 PolarHBondContact O-NZ 2.88Å; S408-K412 VanDerWaalsContact O-CG 3.31Å; S408-K412 WeakPolarHBondContact O-CG 3.42Å; S408-K412 PolarHBondContact O-N 3.24Å; S409-K412 PolarHBondContact O-N 3.16Å; D410-K412 PolarHBondContact O-N 2.79Å; K412-S415 WeakPolarHBondContact CA-OG 3.25Å; K412-S415 PolarHBondContact O-OG 2.96Å; K412-T416 VanDerWaalsContact O-CB 3.29Å; K412-T416 WeakPolarHBondContact O-CB 3.48Å; K412-T416 PolarHBondContact O-N 2.88Å; K412-T416 PolarHBondContact O-OG1 2.85Å
413T91.6Very high91.3Very high64 Ų6421.5 Ų21.539%0.39312%0.12SC..Hα-helixtrans-65.5-46.3176.1-58.70000110.5S409 D410 Y411 T416 K417S409-T413 WeakPolarHBondContact O-CB 3.24Å; S409-T413 PolarHBondContact O-N 2.77Å; S409-T413 PolarHBondContact O-OG1 3.41Å; D410-T413 PolarHBondContact O-N 2.83Å; Y411-T413 VanDerWaalsContact C-N 3.35Å; Y411-T413 PolarHBondContact O-N 2.86Å; T413-T416 PolarHBondContact O-N 3.22Å; T413-K417 HydrophobicContact CG2-CD 4.15Å; T413-K417 HydrophobicContact CG2-CG 4.46Å; T413-K417 WeakPolarHBondContact O-CB 3.43Å; T413-K417 VanDerWaalsContact O-CG 3.32Å; T413-K417 WeakPolarHBondContact O-CG 3.43Å; T413-K417 PolarHBondContact O-N 2.9Å
414F91.3Very high90.8Very high0 Ų023.6 Ų23.60%013%0.134CC..Hα-helixtrans-53.7-60.2175.2160.4-116.5000111.9D410 Y411 T416 K417 I418 E522 Y676 W688 Y690D410-F414 VanDerWaalsContact O-CB 3.29Å; D410-F414 WeakPolarHBondContact O-CB 3.28Å; D410-F414 PolarHBondContact O-N 2.89Å; Y411-F414 AromaticContact CD2-CD1 3.85Å; Y411-F414 HydrophobicContact CD2-CD1 3.85Å; Y411-F414 HydrophobicContact CD2-CE1 4.4Å; Y411-F414 AromaticContact CE2-CD1 3.91Å; Y411-F414 HydrophobicContact CE2-CD1 3.91Å; Y411-F414 HydrophobicContact CE2-CE1 4.05Å; Y411-F414 WeakPolarHBondContact O-CB 3.11Å; Y411-F414 PolarHBondContact O-N 3.03Å; F414-T416 VanDerWaalsContact C-N 3.31Å; F414-T416 PolarHBondContact O-N 2.84Å; F414-K417 PolarHBondContact O-N 2.81Å; F414-I418 HydrophobicContact CE2-CB 4.21Å; F414-I418 HydrophobicContact CE2-CD1 3.9Å; F414-I418 HydrophobicContact CE2-CG2 4.16Å; F414-I418 HydrophobicContact CZ-CD1 4.12Å; F414-I418 HydrophobicContact CZ-CG2 4.33Å; F414-I418 WeakPolarHBondContact O-CG2 3.41Å; F414-I418 PolarHBondContact O-N 2.88Å; F414-E522 HydrophobicContact CE1-CB 4.02Å; F414-E522 HydrophobicContact CE1-CG 3.93Å; F414-E522 HydrophobicContact CZ-CB 4.05Å; F414-E522 HydrophobicContact CZ-CG 4.28Å; F414-Y676 HydrophobicContact CD2-CD1 4.26Å; F414-Y676 HydrophobicContact CD2-CE1 4.09Å; F414-Y676 HydrophobicContact CD2-CE2 4.42Å; F414-Y676 AromaticContact CE2-CD1 3.56Å; F414-Y676 HydrophobicContact CE2-CD1 3.56Å; F414-Y676 AromaticContact CE2-CE1 3.15Å; F414-Y676 HydrophobicContact CE2-CE1 3.15Å; F414-Y676 HydrophobicContact CE2-CE2 4.16Å; F414-Y676 HydrophobicContact CE2-CG 4.3Å; F414-Y676 AromaticContact CE2-CZ 3.43Å; F414-Y676 VanDerWaalsContact CE2-CZ 3.43Å; F414-Y676 AromaticContact CZ-CE1 3.79Å; F414-Y676 HydrophobicContact CZ-CE1 3.79Å; F414-W688 HydrophobicContact CB-CH2 3.8Å; F414-W688 AromaticContact CD2-CH2 3.93Å; F414-W688 HydrophobicContact CD2-CH2 3.93Å; F414-W688 AromaticContact CD2-CZ3 3.94Å; F414-W688 HydrophobicContact CD2-CZ3 3.94Å; F414-W688 HydrophobicContact CG-CH2 4.36Å; F414-Y690 HydrophobicContact CB-CD2 4.38Å; F414-Y690 HydrophobicContact CB-CE2 4.2Å; F414-Y690 HydrophobicContact CG-CE1 4.48Å
415S92.1Very high90Very high1 Ų125.9 Ų25.91%0.00715%0.147CC..Hα-helixtrans-61-37.9-177.751.70000112.4Y411 K412 I418 I419Y411-S415 WeakPolarHBondContact O-CB 3.3Å; Y411-S415 PolarHBondContact O-N 2.78Å; Y411-S415 PolarHBondContact O-OG 3.22Å; K412-S415 WeakPolarHBondContact CA-OG 3.25Å; K412-S415 PolarHBondContact O-OG 2.96Å; S415-I418 WeakPolarHBondContact O-CG2 3.27Å; S415-I419 WeakPolarHBondContact O-CB 3.48Å; S415-I419 WeakPolarHBondContact O-CD1 3.5Å; S415-I419 WeakPolarHBondContact O-CG1 3.32Å; S415-I419 PolarHBondContact O-N 3.25Å
416T92.4Very high89.2Confident31 Ų3126.1 Ų26.119%0.1915%0.149CC..Hα-helixtrans-65.6-47175.5-590000111.7I204 K412 T413 F414 N420I204-T416 WeakPolarHBondContact CD1-OG1 3.48Å; K412-T416 VanDerWaalsContact O-CB 3.29Å; K412-T416 WeakPolarHBondContact O-CB 3.48Å; K412-T416 PolarHBondContact O-N 2.88Å; K412-T416 PolarHBondContact O-OG1 2.85Å; T413-T416 PolarHBondContact O-N 3.22Å; F414-T416 VanDerWaalsContact C-N 3.31Å; F414-T416 PolarHBondContact O-N 2.84Å; T416-N420 WeakPolarHBondContact CG2-ND2 3.41Å; T416-N420 VanDerWaalsContact O-CB 3.3Å; T416-N420 WeakPolarHBondContact O-CB 3.06Å; T416-N420 VanDerWaalsContact O-CG 3.24Å; T416-N420 PolarHBondContact O-N 2.81Å; T416-N420 PolarHBondContact O-ND2 2.84Å
417K90.9Very high88.4Confident56 Ų5632.6 Ų32.624%0.24318%0.179CC..Hα-helixtrans-63.6-46.2-178.4-78-175.7176.5-168.10112.1T413 F414 N420 S421 T678 W688T413-K417 HydrophobicContact CG2-CD 4.15Å; T413-K417 HydrophobicContact CG2-CG 4.46Å; T413-K417 WeakPolarHBondContact O-CB 3.43Å; T413-K417 VanDerWaalsContact O-CG 3.32Å; T413-K417 WeakPolarHBondContact O-CG 3.43Å; T413-K417 PolarHBondContact O-N 2.9Å; F414-K417 PolarHBondContact O-N 2.81Å; K417-N420 PolarHBondContact O-N 2.9Å; K417-S421 WeakPolarHBondContact O-CB 3.37Å; K417-S421 PolarHBondContact O-N 2.93Å; K417-T678 HydrophobicContact CB-CG2 3.91Å; K417-W688 HydrophobicContact CD-CD2 3.87Å; K417-W688 HydrophobicContact CD-CE3 4.1Å; K417-W688 HydrophobicContact CD-CG 4.3Å; K417-W688 HydrophobicContact CD-CZ2 4.35Å; K417-W688 HydrophobicContact CD-CZ3 4.47Å
418I90.4Very high87.4Confident0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-67.2-40.9-177.1-159.8-179.1000111.3F414 S415 S421 L422 L445 I520 F557 Y676F414-I418 HydrophobicContact CE2-CB 4.21Å; F414-I418 HydrophobicContact CE2-CD1 3.9Å; F414-I418 HydrophobicContact CE2-CG2 4.16Å; F414-I418 HydrophobicContact CZ-CD1 4.12Å; F414-I418 HydrophobicContact CZ-CG2 4.33Å; F414-I418 WeakPolarHBondContact O-CG2 3.41Å; F414-I418 PolarHBondContact O-N 2.88Å; S415-I418 WeakPolarHBondContact O-CG2 3.27Å; I418-S421 VanDerWaalsContact O-CB 3.31Å; I418-S421 WeakPolarHBondContact O-CB 3.34Å; I418-S421 PolarHBondContact O-N 3.41Å; I418-L422 PolarHBondContact O-N 3.05Å; I418-L445 HydrophobicContact CG2-CD1 4.1Å; I418-I520 HydrophobicContact CD1-CD1 3.48Å; I418-I520 VanDerWaalsContact CD1-CD1 3.48Å; I418-I520 HydrophobicContact CD1-CG1 3.43Å; I418-I520 VanDerWaalsContact CD1-CG1 3.43Å; I418-I520 HydrophobicContact CG1-CD1 3.71Å; I418-I520 HydrophobicContact CG1-CG1 4.14Å; I418-I520 HydrophobicContact CG2-CD1 4.4Å; I418-F557 HydrophobicContact CG1-CD1 4.49Å; I418-F557 HydrophobicContact CG1-CE1 4.28Å; I418-Y676 HydrophobicContact CD1-CD1 3.68Å; I418-Y676 HydrophobicContact CD1-CE1 3.82Å; I418-Y676 HydrophobicContact CG1-CD1 4.25Å
419I91.2Very high86.4Confident1 Ų143.4 Ų43.41%0.00523%0.228CC..Hα-helixtrans-70.7-41.8178.1-61.7168.1000110.9I206 S415 S421 L422 I423 L445 L448 L449 V452I206-I419 HydrophobicContact CD1-CB 4.45Å; I206-I419 HydrophobicContact CD1-CD1 3.58Å; I206-I419 HydrophobicContact CG2-CB 3.79Å; I206-I419 HydrophobicContact CG2-CG2 3.52Å; S415-I419 WeakPolarHBondContact O-CB 3.48Å; S415-I419 WeakPolarHBondContact O-CD1 3.5Å; S415-I419 WeakPolarHBondContact O-CG1 3.32Å; S415-I419 PolarHBondContact O-N 3.25Å; I419-S421 VanDerWaalsContact C-N 3.26Å; I419-S421 PolarHBondContact O-N 3.41Å; I419-L422 WeakPolarHBondContact O-CB 3.41Å; I419-L422 PolarHBondContact O-N 3.49Å; I419-L422 VanDerWaalsContact O-N 3.13Å; I419-I423 HydrophobicContact CG2-CD1 4.26Å; I419-I423 HydrophobicContact CG2-CG1 4.41Å; I419-I423 WeakPolarHBondContact O-CG1 3.25Å; I419-I423 PolarHBondContact O-N 2.96Å; I419-L445 HydrophobicContact CD1-CD1 3.9Å; I419-L445 HydrophobicContact CG1-CD1 3.89Å; I419-L448 HydrophobicContact CD1-CB 3.53Å; I419-L448 HydrophobicContact CD1-CD1 4.17Å; I419-L448 HydrophobicContact CD1-CG 4.5Å; I419-L449 HydrophobicContact CD1-CD2 4.45Å; I419-L449 HydrophobicContact CD1-CG 4.38Å; I419-L449 HydrophobicContact CG1-CD2 3.86Å; I419-L449 HydrophobicContact CG1-CG 4.23Å; I419-L449 HydrophobicContact CG2-CD2 4.11Å; I419-V452 HydrophobicContact CG2-CB 4.23Å; I419-V452 HydrophobicContact CG2-CG1 3.96Å; I419-V452 HydrophobicContact CG2-CG2 4.21Å
420N90.1Very high84.9Confident51 Ų5145.8 Ų45.827%0.27325%0.245SC..Hα-helixtrans-60.5-36.8174.1-77-25.1000112.2I206 G207 T416 K417 I423 T424I206-N420 WeakPolarHBondContact CG2-OD1 3.45Å; G207-N420 PolarHBondContact N-OD1 3.12Å; T416-N420 WeakPolarHBondContact CG2-ND2 3.41Å; T416-N420 VanDerWaalsContact O-CB 3.3Å; T416-N420 WeakPolarHBondContact O-CB 3.06Å; T416-N420 VanDerWaalsContact O-CG 3.24Å; T416-N420 PolarHBondContact O-N 2.81Å; T416-N420 PolarHBondContact O-ND2 2.84Å; K417-N420 PolarHBondContact O-N 2.9Å; N420-I423 PolarHBondContact O-N 3.01Å; N420-T424 PolarHBondContact O-N 3.16Å; N420-T424 PolarHBondContact O-OG1 2.95Å
421S87.3Confident83.6Confident5 Ų544.1 Ų44.14%0.03524%0.237CC..Hα-helixtrans-59.9-48.7173-158.60000111.4K417 I418 I419 I423 T424 V425 F557 N677 T678 P679K417-S421 WeakPolarHBondContact O-CB 3.37Å; K417-S421 PolarHBondContact O-N 2.93Å; I418-S421 VanDerWaalsContact O-CB 3.31Å; I418-S421 WeakPolarHBondContact O-CB 3.34Å; I418-S421 PolarHBondContact O-N 3.41Å; I419-S421 VanDerWaalsContact C-N 3.26Å; I419-S421 PolarHBondContact O-N 3.41Å; S421-I423 PolarHBondContact O-N 3.43Å; S421-T424 WeakPolarHBondContact O-CB 3.48Å; S421-T424 PolarHBondContact O-N 3.42Å; S421-V425 PolarHBondContact O-N 3.01Å; S421-V425 VanDerWaalsContact O-N 3.1Å; S421-F557 WeakPolarHBondContact OG-CZ 3.42Å; S421-N677 VanDerWaalsContact CB-O 3.23Å; S421-N677 WeakPolarHBondContact CB-O 3.33Å; S421-N677 PolarHBondContact OG-O 3.03Å; S421-T678 WeakPolarHBondContact OG-CA 3.49Å; S421-P679 WeakPolarHBondContact OG-CD 3.15Å
422L86.6Confident82Confident1 Ų148 Ų481%0.00526%0.264CS..Hα-helixtrans-60-48.7178.5-17863.8000110.9I418 I419 T424 V425 L426 V436 L449 L453 I518 F557I418-L422 PolarHBondContact O-N 3.05Å; I419-L422 WeakPolarHBondContact O-CB 3.41Å; I419-L422 PolarHBondContact O-N 3.49Å; I419-L422 VanDerWaalsContact O-N 3.13Å; L422-T424 VanDerWaalsContact C-N 3.26Å; L422-T424 PolarHBondContact O-N 2.94Å; L422-V425 PolarHBondContact O-N 3.47Å; L422-L426 HydrophobicContact CD1-CG 4.33Å; L422-L426 HydrophobicContact CG-CD1 4.01Å; L422-L426 HydrophobicContact CG-CG 4.26Å; L422-L426 VanDerWaalsContact O-CG 3.27Å; L422-L426 WeakPolarHBondContact O-CG 3.35Å; L422-L426 PolarHBondContact O-N 3.49Å; L422-V436 HydrophobicContact CD2-CG2 4.42Å; L422-L449 HydrophobicContact CD2-CD2 3.51Å; L422-L453 HydrophobicContact CD2-CD2 4.45Å; L422-I518 HydrophobicContact CD1-CD1 3.83Å; L422-I518 HydrophobicContact CD1-CG2 4Å; L422-F557 HydrophobicContact CB-CE1 4.01Å; L422-F557 HydrophobicContact CB-CZ 4.18Å
423I85.5Confident80.7Confident9 Ų947.3 Ų47.35%0.04626%0.263CS..Hα-helixtrans-53.7-44.8176-64.2167.5000111I206 I419 N420 S421 V425 L426 Q427 V452I206-I423 HydrophobicContact CG2-CD1 4.29Å; I419-I423 HydrophobicContact CG2-CD1 4.26Å; I419-I423 HydrophobicContact CG2-CG1 4.41Å; I419-I423 WeakPolarHBondContact O-CG1 3.25Å; I419-I423 PolarHBondContact O-N 2.96Å; N420-I423 PolarHBondContact O-N 3.01Å; S421-I423 PolarHBondContact O-N 3.43Å; I423-V425 VanDerWaalsContact C-N 3.28Å; I423-V425 PolarHBondContact O-N 3.06Å; I423-L426 PolarHBondContact O-N 2.68Å; I423-Q427 HydrophobicContact CG2-CG 4.26Å; I423-Q427 WeakPolarHBondContact O-CG 3.5Å; I423-Q427 PolarHBondContact O-N 2.81Å; I423-V452 HydrophobicContact CD1-CG1 3.42Å; I423-V452 VanDerWaalsContact CD1-CG1 3.42Å; I423-V452 HydrophobicContact CG1-CG1 3.79Å
424T83.9Confident79.9Confident46 Ų4644.7 Ų44.728%0.28225%0.246SC..Hα-helixtrans-61.3-38.5-180-57.30000111.7N420 S421 L422 K428N420-T424 PolarHBondContact O-N 3.16Å; N420-T424 PolarHBondContact O-OG1 2.95Å; S421-T424 WeakPolarHBondContact O-CB 3.48Å; S421-T424 PolarHBondContact O-N 3.42Å; L422-T424 VanDerWaalsContact C-N 3.26Å; L422-T424 PolarHBondContact O-N 2.94Å; T424-K428 WeakPolarHBondContact O-CG 3.31Å; T424-K428 PolarHBondContact O-N 3.1Å
425V78.6Confident79.4Confident47 Ų4744.8 Ų44.829%0.28525%0.247SC..Hα-helixtrans-71.3-41.8176172.60000111.4S421 L422 I423 Q427 K428 N429 F557S421-V425 PolarHBondContact O-N 3.01Å; S421-V425 VanDerWaalsContact O-N 3.1Å; L422-V425 PolarHBondContact O-N 3.47Å; I423-V425 VanDerWaalsContact C-N 3.28Å; I423-V425 PolarHBondContact O-N 3.06Å; V425-Q427 VanDerWaalsContact C-N 3.34Å; V425-Q427 PolarHBondContact O-N 2.89Å; V425-K428 PolarHBondContact O-N 3.39Å; V425-N429 PolarHBondContact O-N 3.14Å; V425-N429 PolarHBondContact O-ND2 3.25Å; V425-F557 HydrophobicContact CB-CE2 4.46Å; V425-F557 HydrophobicContact CG2-CE2 3.91Å; V425-F557 HydrophobicContact CG2-CZ 4.49Å
426L77.7Confident79.3Confident12 Ų1244.8 Ų44.86%0.06325%0.247CC..Hα-helixtrans-61.5-41.4177-65.4175.7000111.7L422 I423 K428 N429 F434 L453 V457 I518L422-L426 HydrophobicContact CD1-CG 4.33Å; L422-L426 HydrophobicContact CG-CD1 4.01Å; L422-L426 HydrophobicContact CG-CG 4.26Å; L422-L426 VanDerWaalsContact O-CG 3.27Å; L422-L426 WeakPolarHBondContact O-CG 3.35Å; L422-L426 PolarHBondContact O-N 3.49Å; I423-L426 PolarHBondContact O-N 2.68Å; L426-K428 VanDerWaalsContact C-N 3.3Å; L426-K428 PolarHBondContact O-N 3.29Å; L426-N429 PolarHBondContact O-N 3.28Å; L426-F434 HydrophobicContact CD2-CB 4.28Å; L426-F434 HydrophobicContact CD2-CD1 3.19Å; L426-F434 HydrophobicContact CD2-CD2 3.96Å; L426-F434 HydrophobicContact CD2-CE1 3.22Å; L426-F434 HydrophobicContact CD2-CE2 3.95Å; L426-F434 HydrophobicContact CD2-CG 3.55Å; L426-F434 HydrophobicContact CD2-CZ 3.58Å; L426-L453 HydrophobicContact CD1-CD2 3.37Å; L426-V457 HydrophobicContact CD1-CG2 4.11Å; L426-I518 HydrophobicContact CD2-CD1 4.22Å
427Q76.4Confident79.3Confident136 Ų13643.3 Ų43.364%0.63624%0.238SC*.Hα-helixtrans-66.6-28.5177.5-74.7176.3-16.500113.7I423 V425I423-Q427 HydrophobicContact CG2-CG 4.26Å; I423-Q427 WeakPolarHBondContact O-CG 3.5Å; I423-Q427 PolarHBondContact O-N 2.81Å; V425-Q427 VanDerWaalsContact C-N 3.34Å; V425-Q427 PolarHBondContact O-N 2.89Å
428K74.1Confident79.5Confident160 Ų16040.6 Ų40.670%0.69623%0.226SC*.Hα-helixtrans-82-23.2179.2-74177.2-178.3179.20113.2T424 V425 L426T424-K428 WeakPolarHBondContact O-CG 3.31Å; T424-K428 PolarHBondContact O-N 3.1Å; V425-K428 PolarHBondContact O-N 3.39Å; L426-K428 VanDerWaalsContact C-N 3.3Å; L426-K428 PolarHBondContact O-N 3.29Å
429N69Low79.8Confident85 Ų8540.9 Ų40.946%0.45523%0.227SC..SBendtrans-112.5105.7-175.1-69-43000110V425 L426 T431 F434V425-N429 PolarHBondContact O-N 3.14Å; V425-N429 PolarHBondContact O-ND2 3.25Å; L426-N429 PolarHBondContact O-N 3.28Å; N429-T431 PolarHBondContact O-N 3.49Å; N429-F434 HydrophobicContact CB-CZ 4.44Å; N429-F434 VanDerWaalsContact O-CZ 3.32Å; N429-F434 WeakPolarHBondContact O-CZ 3.46Å
430S60.3Low80Confident132 Ų13241 Ų4192%0.92323%0.228SC*.  trans-75.487.3173.5-55.20000110.3
431T61.7Low80.1Confident31 Ų3138.7 Ų38.719%0.1922%0.216CC..  trans-110.9151.8167.979.80000111.1N429 F434N429-T431 PolarHBondContact O-N 3.49Å; T431-F434 HydrophobicContact CG2-CE1 4.3Å; T431-F434 HydrophobicContact CG2-CZ 4.09Å; T431-F434 WeakPolarHBondContact OG1-CD2 3.41Å; T431-F434 VanDerWaalsContact OG1-CE1 3.23Å; T431-F434 WeakPolarHBondContact OG1-CE1 3.29Å; T431-F434 WeakPolarHBondContact OG1-CE2 3.39Å; T431-F434 WeakPolarHBondContact OG1-CZ 3.3Å
432S59.5Low80.4Confident81 Ų8138.4 Ų38.457%0.56621%0.214SC*.SBendtrans-79.4-19.6-176.449.90000114.6E514S432-E514 PolarHBondContact OG-O 2.94Å
433L64.4Low80.8Confident44 Ų4438.4 Ų38.423%0.2321%0.214CC..  trans-150.6119.9-176.5-17770.8000110.1K459L433-K459 HydrophobicContact CD1-CB 3.78Å
434F73.5Confident81.1Confident10 Ų1038 Ų384%0.04421%0.212CC..EExtended strand (participates in β ladder)trans-109.2122.5176.4-75.8-80.5000111L426 N429 T431 V457 K459 S460 Q461 I518L426-F434 HydrophobicContact CD2-CB 4.28Å; L426-F434 HydrophobicContact CD2-CD1 3.19Å; L426-F434 HydrophobicContact CD2-CD2 3.96Å; L426-F434 HydrophobicContact CD2-CE1 3.22Å; L426-F434 HydrophobicContact CD2-CE2 3.95Å; L426-F434 HydrophobicContact CD2-CG 3.55Å; L426-F434 HydrophobicContact CD2-CZ 3.58Å; N429-F434 HydrophobicContact CB-CZ 4.44Å; N429-F434 VanDerWaalsContact O-CZ 3.32Å; N429-F434 WeakPolarHBondContact O-CZ 3.46Å; T431-F434 HydrophobicContact CG2-CE1 4.3Å; T431-F434 HydrophobicContact CG2-CZ 4.09Å; T431-F434 WeakPolarHBondContact OG1-CD2 3.41Å; T431-F434 VanDerWaalsContact OG1-CE1 3.23Å; T431-F434 WeakPolarHBondContact OG1-CE1 3.29Å; T431-F434 WeakPolarHBondContact OG1-CE2 3.39Å; T431-F434 WeakPolarHBondContact OG1-CZ 3.3Å; F434-V457 HydrophobicContact CB-CG1 4.35Å; F434-V457 HydrophobicContact CD2-CG1 3.64Å; F434-V457 HydrophobicContact CD2-CG2 4.08Å; F434-V457 HydrophobicContact CE2-CG1 4.48Å; F434-V457 HydrophobicContact CG-CG1 4.46Å; F434-K459 PolarHBondContact N-O 3.27Å; F434-S460 WeakPolarHBondContact O-CA 3.31Å; F434-Q461 PolarHBondContact O-N 2.78Å; F434-Q461 VanDerWaalsContact O-N 3.1Å; F434-I518 HydrophobicContact CD1-CD1 4.31Å
435N82.7Confident81.5Confident1 Ų135.8 Ų35.81%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-105.5127.2173.3-52.4-57.9000108.4Q461 I506 T516 L517 I518N435-Q461 WeakPolarHBondContact CA-O 3.32Å; N435-Q461 WeakPolarHBondContact OD1-CB 3.24Å; N435-I506 WeakPolarHBondContact ND2-CD1 2.88Å; N435-T516 PolarHBondContact N-O 2.88Å; N435-L517 HydrophobicContact CB-CD1 3.87Å; N435-L517 WeakPolarHBondContact O-CA 3.42Å; N435-I518 PolarHBondContact O-N 3.49Å
436V89Confident82.2Confident1 Ų133.5 Ų33.51%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-115.8126.3176.9-178.90000108.1L422 V438 L449 L453 Q461 L462 I463 I518 I520L422-V436 HydrophobicContact CD2-CG2 4.42Å; V436-V438 HydrophobicContact CG1-CG2 4.44Å; V436-L449 HydrophobicContact CG1-CD1 4.13Å; V436-L453 HydrophobicContact CB-CD1 4.48Å; V436-L453 HydrophobicContact CG2-CD1 3.97Å; V436-Q461 PolarHBondContact N-O 2.89Å; V436-L462 HydrophobicContact CB-CD1 3.7Å; V436-L462 HydrophobicContact CG1-CD1 3.73Å; V436-L462 WeakPolarHBondContact O-CA 3.32Å; V436-I463 PolarHBondContact O-N 2.87Å; V436-I518 WeakPolarHBondContact CA-O 3.17Å; V436-I520 HydrophobicContact CG1-CG2 3.9Å
437L92.8Very high82.8Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-109.5114.1173.317362.4000108.6V439 I463 L465 V498 L517 I518 L519 I520 L544L437-V439 HydrophobicContact CD1-CG2 4.39Å; L437-V439 HydrophobicContact CD2-CG2 4.2Å; L437-V439 HydrophobicContact CG-CG2 3.93Å; L437-I463 CarbonylContact C-O 3.55Å; L437-I463 WeakPolarHBondContact CA-O 3.21Å; L437-I463 HydrophobicContact CD1-CB 4.02Å; L437-I463 HydrophobicContact CD1-CG2 3.73Å; L437-L465 HydrophobicContact CD1-CB 4.12Å; L437-V498 HydrophobicContact CD1-CG1 4.25Å; L437-V498 HydrophobicContact CD1-CG2 4.07Å; L437-V498 HydrophobicContact CD2-CG1 4.11Å; L437-L517 HydrophobicContact CB-CD1 3.94Å; L437-I518 PolarHBondContact N-O 3.2Å; L437-L519 HydrophobicContact CD2-CD1 3.99Å; L437-L519 HydrophobicContact CD2-CG 4.41Å; L437-L519 HydrophobicContact CG-CG 4.49Å; L437-L519 WeakPolarHBondContact O-CA 3.44Å; L437-I520 PolarHBondContact O-N 3.45Å; L437-L544 HydrophobicContact CD2-CD1 3.49Å; L437-L544 VanDerWaalsContact CD2-CD1 3.49Å
438V95.3Very high83.6Confident0 Ų026.6 Ų26.60%015%0.152CC..EExtended strand (participates in β ladder)trans-92.1124.8171.9-175.30000108.5V436 L445 P446 L449 L462 I463 L465 I520V436-V438 HydrophobicContact CG1-CG2 4.44Å; V438-L445 HydrophobicContact CG1-CB 4.32Å; V438-L445 HydrophobicContact CG1-CD2 3.99Å; V438-L445 HydrophobicContact CG1-CG 4.22Å; V438-P446 HydrophobicContact CB-CG 3.98Å; V438-P446 HydrophobicContact CG1-CG 3.88Å; V438-P446 HydrophobicContact CG2-CB 4.32Å; V438-P446 HydrophobicContact CG2-CG 4.07Å; V438-L449 HydrophobicContact CG2-CD1 3.56Å; V438-L462 HydrophobicContact CG2-CD1 3.87Å; V438-I463 PolarHBondContact N-O 3.05Å; V438-L465 PolarHBondContact O-N 3.23Å; V438-I520 CarbonylContact C-O 3.54Å; V438-I520 VanDerWaalsContact CA-O 3.27Å; V438-I520 WeakPolarHBondContact CA-O 3.32Å; V438-I520 HydrophobicContact CB-CG2 4.19Å; V438-I520 HydrophobicContact CG1-CG2 4.43Å; V438-I520 HydrophobicContact CG2-CG2 3.64Å
439V95.4Very high84.4Confident5 Ų519 Ų193%0.0312%0.119CC..EExtended strand (participates in β ladder)trans-116.1103.3173.4-171.40000109.2L437 L465 L519 I520 S521 Y536 F537L437-V439 HydrophobicContact CD1-CG2 4.39Å; L437-V439 HydrophobicContact CD2-CG2 4.2Å; L437-V439 HydrophobicContact CG-CG2 3.93Å; V439-L465 HydrophobicContact CG1-CB 4.37Å; V439-L465 HydrophobicContact CG1-CD2 3.9Å; V439-L465 HydrophobicContact CG1-CG 4.22Å; V439-L465 HydrophobicContact CG2-CB 4.19Å; V439-L465 HydrophobicContact CG2-CD2 4.05Å; V439-L519 HydrophobicContact CG2-CD1 3.9Å; V439-L519 HydrophobicContact CG2-CD2 4.18Å; V439-L519 HydrophobicContact CG2-CG 4.02Å; V439-I520 PolarHBondContact N-O 3.09Å; V439-S521 WeakPolarHBondContact O-CA 3.31Å; V439-S521 VanDerWaalsContact O-CB 3.25Å; V439-S521 WeakPolarHBondContact O-CB 3.39Å; V439-S521 PolarHBondContact O-OG 3.25Å; V439-Y536 HydrophobicContact CG1-CD1 3.95Å; V439-Y536 HydrophobicContact CG1-CE1 4.25Å; V439-F537 HydrophobicContact CB-CB 3.79Å; V439-F537 HydrophobicContact CG1-CB 3.84Å
440S95.2Very high85.3Confident4 Ų414.9 Ų14.93%0.02810%0.097CC..  trans-172.9140.1179.1178.30000108.7H464 L465 E522S440-H464 PolarHBondContact O-NE2 3.18Å; S440-L465 PolarHBondContact N-O 2.9Å; S440-E522 WeakPolarHBondContact CB-O 3.28Å; S440-E522 PolarHBondContact OG-O 3.41Å; S440-E522 VanDerWaalsContact OG-O 3.05Å
441D94Very high86.6Confident2 Ų210.1 Ų10.11%0.0116%0.06CC..SBendtrans-80156167.8-66.59.2000110.1T443 D466 T467 Y524 S526D441-T443 PolarHBondContact O-N 2.78Å; D441-D466 WeakPolarHBondContact CA-OD2 3.18Å; D441-T467 VanDerWaalsContact CG-OG1 3.29Å; D441-T467 PolarHBondContact OD1-N 2.88Å; D441-T467 PolarHBondContact OD1-OG1 3.49Å; D441-T467 PolarHBondContact OD2-OG1 3.02Å; D441-Y524 HydrophobicContact CB-CD1 4.1Å; D441-Y524 HydrophobicContact CB-CE1 4.38Å; D441-Y524 PolarHBondContact N-O 2.84Å; D441-Y524 WeakPolarHBondContact O-CD1 3.44Å; D441-S526 VanDerWaalsContact OD2-CB 3.31Å; D441-S526 WeakPolarHBondContact OD2-CB 3.36Å; D441-S526 PolarHBondContact OD2-N 3.09Å; D441-S526 PolarHBondContact OD2-OG 2.92Å
442C93.5Very high87.9Confident0 Ų08.6 Ų8.60%05%0.051CC..SBendtrans49.955164-51.70000115W398 R402 D466 Y524W398-C442 HydrophobicContact CD2-CB 3.66Å; W398-C442 VanDerWaalsContact CE2-CA 3.49Å; W398-C442 HydrophobicContact CE3-CB 4.12Å; W398-C442 HydrophobicContact CG-CB 3.92Å; W398-C442 VanDerWaalsContact CZ2-CA 3.47Å; W398-C442 HydrophobicContact CZ2-CB 4.17Å; R402-C442 HydrophobicContact CG-CB 3.89Å; R402-C442 PolarHBondContact NE-O 3.27Å; R402-C442 PolarHBondContact NH2-O 2.88Å; C442-D466 PolarHBondContact N-OD2 3.49Å; C442-D466 VanDerWaalsContact N-OD2 3.08Å; C442-Y524 HydrophobicContact CB-CD1 4.31Å; C442-Y524 HydrophobicContact CB-CE1 3.93Å
443T93.4Very high89.1Confident0 Ų04.9 Ų4.90%02%0.024CC..  trans-131.5154.1-170.7-176.50000113.9Y411 D441 L445 P446 E522Y411-T443 PolarHBondContact OH-OG1 2.78Å; D441-T443 PolarHBondContact O-N 2.78Å; T443-L445 HydrophobicContact CG2-CB 4.38Å; T443-L445 WeakPolarHBondContact OG1-CB 3.48Å; T443-L445 PolarHBondContact OG1-N 2.86Å; T443-L445 VanDerWaalsContact OG1-N 3.07Å; T443-P446 HydrophobicContact CG2-CG 4.24Å; T443-E522 WeakPolarHBondContact CB-OE2 3.45Å; T443-E522 PolarHBondContact OG1-OE2 3.36Å
444Y91.8Very high89.7Confident0 Ų05 Ų50%03%0.031CC..SBendtrans-85.6-12.1168-64.3-39.1000113.5L199 F202 I213 F216 L406 Y411 F447 L448L199-Y444 WeakPolarHBondContact CB-OH 3.38Å; L199-Y444 HydrophobicContact CD1-CE1 4.23Å; L199-Y444 WeakPolarHBondContact CD1-OH 3.45Å; L199-Y444 VanDerWaalsContact CD2-OH 3.25Å; L199-Y444 WeakPolarHBondContact CD2-OH 3.44Å; L199-Y444 WeakPolarHBondContact CG-OH 3.17Å; F202-Y444 HydrophobicContact CE1-CE2 4.39Å; F202-Y444 HydrophobicContact CZ-CE2 4.38Å; I213-Y444 HydrophobicContact CG2-CE1 4.26Å; I213-Y444 HydrophobicContact CG2-CE2 3.89Å; F216-Y444 HydrophobicContact CB-CE1 4.49Å; F216-Y444 AromaticContact CD1-CD1 3.91Å; F216-Y444 HydrophobicContact CD1-CD1 3.91Å; F216-Y444 AromaticContact CD1-CE1 3.41Å; F216-Y444 HydrophobicContact CD1-CE1 3.41Å; F216-Y444 VanDerWaalsContact CD1-CE1 3.41Å; F216-Y444 AromaticContact CD2-CD1 3.98Å; F216-Y444 HydrophobicContact CD2-CD1 3.98Å; F216-Y444 HydrophobicContact CD2-CE1 4.31Å; F216-Y444 AromaticContact CE1-CD1 3.91Å; F216-Y444 HydrophobicContact CE1-CD1 3.91Å; F216-Y444 AromaticContact CE1-CE1 3.55Å; F216-Y444 HydrophobicContact CE1-CE1 3.55Å; F216-Y444 AromaticContact CE2-CD1 3.97Å; F216-Y444 HydrophobicContact CE2-CD1 3.97Å; F216-Y444 HydrophobicContact CE2-CE1 4.42Å; F216-Y444 AromaticContact CG-CD1 3.94Å; F216-Y444 HydrophobicContact CG-CD1 3.94Å; F216-Y444 AromaticContact CG-CE1 3.82Å; F216-Y444 HydrophobicContact CG-CE1 3.82Å; F216-Y444 AromaticContact CZ-CD1 3.94Å; F216-Y444 HydrophobicContact CZ-CD1 3.94Å; F216-Y444 HydrophobicContact CZ-CE1 4.07Å; L406-Y444 HydrophobicContact CB-CD2 4.36Å; L406-Y444 HydrophobicContact CB-CE2 3.9Å; L406-Y444 HydrophobicContact CD2-CD2 4.18Å; Y411-Y444 AromaticContact CE1-CD2 3.8Å; Y411-Y444 HydrophobicContact CE1-CD2 3.8Å; Y411-Y444 WeakPolarHBondContact OH-CB 3.43Å; Y411-Y444 PolarHBondContact OH-N 2.9Å; Y444-F447 WeakPolarHBondContact O-CB 3.37Å; Y444-F447 PolarHBondContact O-N 3.49Å; Y444-F447 VanDerWaalsContact O-N 3.07Å; Y444-L448 WeakPolarHBondContact O-CG 3.3Å; Y444-L448 PolarHBondContact O-N 2.91Å
445L93.1Very high89.9Confident0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-55.5-43.8-167.2-176.458.7000113.9I418 I419 V438 T443 L448 L449 I520I418-L445 HydrophobicContact CG2-CD1 4.1Å; I419-L445 HydrophobicContact CD1-CD1 3.9Å; I419-L445 HydrophobicContact CG1-CD1 3.89Å; V438-L445 HydrophobicContact CG1-CB 4.32Å; V438-L445 HydrophobicContact CG1-CD2 3.99Å; V438-L445 HydrophobicContact CG1-CG 4.22Å; T443-L445 HydrophobicContact CG2-CB 4.38Å; T443-L445 WeakPolarHBondContact OG1-CB 3.48Å; T443-L445 PolarHBondContact OG1-N 2.86Å; T443-L445 VanDerWaalsContact OG1-N 3.07Å; L445-L448 PolarHBondContact O-N 2.85Å; L445-L449 HydrophobicContact CD1-CD1 4.06Å; L445-L449 HydrophobicContact CD1-CG 4.18Å; L445-L449 HydrophobicContact CG-CD1 3.92Å; L445-L449 WeakPolarHBondContact O-CB 3.03Å; L445-L449 VanDerWaalsContact O-CG 3.28Å; L445-L449 WeakPolarHBondContact O-CG 3.25Å; L445-L449 PolarHBondContact O-N 3.17Å; L445-I520 HydrophobicContact CD1-CD1 4.44Å; L445-I520 HydrophobicContact CD2-CD1 4.09Å; L445-I520 HydrophobicContact CD2-CG1 4.12Å; L445-I520 HydrophobicContact CD2-CG2 4.4Å
446P93.1Very high89.6Confident0 Ų013.9 Ų13.90%07%0.071CC..Hα-helixtrans-63.1-43.9176-17.428.4000112.5V438 T443 L448 L449 G450 L462 H464 I489V438-P446 HydrophobicContact CB-CG 3.98Å; V438-P446 HydrophobicContact CG1-CG 3.88Å; V438-P446 HydrophobicContact CG2-CB 4.32Å; V438-P446 HydrophobicContact CG2-CG 4.07Å; T443-P446 HydrophobicContact CG2-CG 4.24Å; P446-L448 VanDerWaalsContact C-N 3.35Å; P446-L448 PolarHBondContact O-N 2.88Å; P446-L449 PolarHBondContact O-N 2.73Å; P446-G450 PolarHBondContact O-N 3.28Å; P446-L462 HydrophobicContact CB-CD2 4.2Å; P446-L462 WeakPolarHBondContact O-CD2 3.43Å; P446-H464 HydrophobicContact CB-CB 4.08Å; P446-H464 HydrophobicContact CG-CB 3.83Å; P446-I489 HydrophobicContact CB-CD1 4.5Å; P446-I489 HydrophobicContact CB-CG2 3.98Å; P446-I489 WeakPolarHBondContact O-CD1 3.26Å
447F91.5Very high88.9Confident1 Ų114.8 Ų14.80%0.0048%0.077CC..Hα-helixtrans-59-46.5177.7173.1-99.8000111.7I211 I213 E215 F216 Y444 G450 K451 Y479 Y482I211-F447 HydrophobicContact CG2-CE1 3.86Å; I211-F447 HydrophobicContact CG2-CZ 4.46Å; I213-F447 HydrophobicContact CD1-CE1 4.4Å; E215-F447 HydrophobicContact CB-CZ 3.88Å; F216-F447 HydrophobicContact CB-CD1 4.27Å; F216-F447 HydrophobicContact CB-CE1 4.18Å; F216-F447 HydrophobicContact CB-CZ 4.35Å; F216-F447 HydrophobicContact CD2-CB 3.84Å; F216-F447 HydrophobicContact CD2-CD1 4.15Å; F216-F447 HydrophobicContact CD2-CD2 4.11Å; F216-F447 AromaticContact CD2-CG 3.76Å; F216-F447 HydrophobicContact CD2-CG 3.76Å; F216-F447 HydrophobicContact CE2-CB 4.22Å; Y444-F447 WeakPolarHBondContact O-CB 3.37Å; Y444-F447 PolarHBondContact O-N 3.49Å; Y444-F447 VanDerWaalsContact O-N 3.07Å; F447-G450 PolarHBondContact O-N 3.05Å; F447-K451 HydrophobicContact CE1-CG 4.48Å; F447-K451 HydrophobicContact CZ-CG 4.32Å; F447-K451 WeakPolarHBondContact O-CG 3.4Å; F447-K451 PolarHBondContact O-N 2.7Å; F447-Y479 HydrophobicContact CB-CE1 4.32Å; F447-Y482 HydrophobicContact CD2-CD1 4.42Å; F447-Y482 HydrophobicContact CE2-CD1 4.33Å; F447-Y482 HydrophobicContact CE2-CD2 4.32Å; F447-Y482 HydrophobicContact CE2-CG 4.12Å
448L92.3Very high87.7Confident1 Ų124.3 Ų24.31%0.00512%0.121CC..Hα-helixtrans-63-42.7176.8-65.4175.9000111.9I204 I206 I211 I213 I419 Y444 L445 P446 K451 V452I204-L448 HydrophobicContact CG2-CD2 3.81Å; I206-L448 HydrophobicContact CD1-CB 4.38Å; I206-L448 HydrophobicContact CD1-CD1 4.47Å; I206-L448 HydrophobicContact CD1-CD2 4.4Å; I211-L448 HydrophobicContact CD1-CD2 3.87Å; I211-L448 HydrophobicContact CG2-CD2 4.19Å; I213-L448 HydrophobicContact CD1-CD2 3.64Å; I419-L448 HydrophobicContact CD1-CB 3.53Å; I419-L448 HydrophobicContact CD1-CD1 4.17Å; I419-L448 HydrophobicContact CD1-CG 4.5Å; Y444-L448 WeakPolarHBondContact O-CG 3.3Å; Y444-L448 PolarHBondContact O-N 2.91Å; L445-L448 PolarHBondContact O-N 2.85Å; P446-L448 VanDerWaalsContact C-N 3.35Å; P446-L448 PolarHBondContact O-N 2.88Å; L448-K451 PolarHBondContact O-N 2.88Å; L448-V452 WeakPolarHBondContact O-CG2 3.34Å; L448-V452 PolarHBondContact O-N 2.95Å
449L91.1Very high86.5Confident0 Ų031.1 Ų31.10%015%0.15CC..Hα-helixtrans-62.9-46.6177.6-78167.1000111.7I419 L422 V436 V438 L445 P446 K451 V452 L453 L462 I520I419-L449 HydrophobicContact CD1-CD2 4.45Å; I419-L449 HydrophobicContact CD1-CG 4.38Å; I419-L449 HydrophobicContact CG1-CD2 3.86Å; I419-L449 HydrophobicContact CG1-CG 4.23Å; I419-L449 HydrophobicContact CG2-CD2 4.11Å; L422-L449 HydrophobicContact CD2-CD2 3.51Å; V436-L449 HydrophobicContact CG1-CD1 4.13Å; V438-L449 HydrophobicContact CG2-CD1 3.56Å; L445-L449 HydrophobicContact CD1-CD1 4.06Å; L445-L449 HydrophobicContact CD1-CG 4.18Å; L445-L449 HydrophobicContact CG-CD1 3.92Å; L445-L449 WeakPolarHBondContact O-CB 3.03Å; L445-L449 VanDerWaalsContact O-CG 3.28Å; L445-L449 WeakPolarHBondContact O-CG 3.25Å; L445-L449 PolarHBondContact O-N 3.17Å; P446-L449 PolarHBondContact O-N 2.73Å; L449-K451 VanDerWaalsContact C-N 3.28Å; L449-K451 PolarHBondContact O-N 2.79Å; L449-V452 PolarHBondContact O-N 2.92Å; L449-L453 HydrophobicContact CB-CD1 4.21Å; L449-L453 WeakPolarHBondContact O-CB 3.17Å; L449-L453 VanDerWaalsContact O-CG 3.25Å; L449-L453 WeakPolarHBondContact O-CG 3.28Å; L449-L453 PolarHBondContact O-N 3.14Å; L449-L462 HydrophobicContact CB-CD1 4.31Å; L449-L462 HydrophobicContact CB-CD2 3.88Å; L449-L462 HydrophobicContact CD1-CD1 4.25Å; L449-I520 HydrophobicContact CD1-CD1 4.46Å; L449-I520 HydrophobicContact CD1-CG2 4.12Å
450G88.7Confident85.6Confident0 Ų032.3 Ų32.30%016%0.159CC..Hα-helixtrans-55.9-43178.100000112.3P446 F447 V452 S487P446-G450 PolarHBondContact O-N 3.28Å; F447-G450 PolarHBondContact O-N 3.05Å; G450-V452 VanDerWaalsContact C-N 3.33Å; G450-V452 PolarHBondContact O-N 2.65Å; G450-S487 PolarHBondContact O-OG 3.35Å
451K87.3Confident85Confident31 Ų3133.3 Ų33.314%0.13516%0.163CC..Hα-helixtrans-62.7-35.5176.3-72.6-83.4-177.7178.40113.9I211 E215 F447 L448 L449 Y482I211-K451 HydrophobicContact CD1-CB 3.64Å; I211-K451 HydrophobicContact CD1-CG 4.31Å; I211-K451 HydrophobicContact CG1-CB 3.97Å; I211-K451 HydrophobicContact CG1-CG 4.41Å; I211-K451 HydrophobicContact CG2-CD 4.37Å; I211-K451 HydrophobicContact CG2-CG 4.09Å; E215-K451 IonicContact OE1-NZ 3.55Å; E215-K451 PolarHBondContact OE1-NZ 2.71Å; E215-K451 VanDerWaalsContact OE1-NZ 3.1Å; E215-K451 IonicContact OE2-NZ 3.41Å; E215-K451 PolarHBondContact OE2-NZ 2.58Å; F447-K451 HydrophobicContact CE1-CG 4.48Å; F447-K451 HydrophobicContact CZ-CG 4.32Å; F447-K451 WeakPolarHBondContact O-CG 3.4Å; F447-K451 PolarHBondContact O-N 2.7Å; L448-K451 PolarHBondContact O-N 2.88Å; L449-K451 VanDerWaalsContact C-N 3.28Å; L449-K451 PolarHBondContact O-N 2.79Å; K451-Y482 HydrophobicContact CD-CE2 3.86Å; K451-Y482 VanDerWaalsContact CD-OH 3.27Å; K451-Y482 WeakPolarHBondContact CD-OH 3.31Å
452V88.4Confident84.8Confident0 Ų033.3 Ų33.30%016%0.163CC..Hα-helixtrans-88.2-44.8-174.8173.70000111.8I206 T209 I211 I419 I423 L448 L449 G450 A454 K455 H456I206-V452 HydrophobicContact CB-CG2 4.04Å; I206-V452 HydrophobicContact CD1-CG2 4.46Å; I206-V452 HydrophobicContact CG2-CG2 4.1Å; T209-V452 HydrophobicContact CG2-CG2 4.46Å; I211-V452 HydrophobicContact CD1-CG2 3.9Å; I419-V452 HydrophobicContact CG2-CB 4.23Å; I419-V452 HydrophobicContact CG2-CG1 3.96Å; I419-V452 HydrophobicContact CG2-CG2 4.21Å; I423-V452 HydrophobicContact CD1-CG1 3.42Å; I423-V452 VanDerWaalsContact CD1-CG1 3.42Å; I423-V452 HydrophobicContact CG1-CG1 3.79Å; L448-V452 WeakPolarHBondContact O-CG2 3.34Å; L448-V452 PolarHBondContact O-N 2.95Å; L449-V452 PolarHBondContact O-N 2.92Å; G450-V452 VanDerWaalsContact C-N 3.33Å; G450-V452 PolarHBondContact O-N 2.65Å; V452-A454 VanDerWaalsContact C-N 3.3Å; V452-A454 PolarHBondContact O-N 3.48Å; V452-K455 PolarHBondContact O-N 3.26Å; V452-H456 PolarHBondContact O-ND1 2.92Å
453L84.3Confident84.7Confident2 Ų233.4 Ų33.41%0.0116%0.164CC..Hα-helixtrans-62.6-37.1-175.1-69.9175.1000111.8L422 L426 V436 L449 K455 H456 V457L422-L453 HydrophobicContact CD2-CD2 4.45Å; L426-L453 HydrophobicContact CD1-CD2 3.37Å; V436-L453 HydrophobicContact CB-CD1 4.48Å; V436-L453 HydrophobicContact CG2-CD1 3.97Å; L449-L453 HydrophobicContact CB-CD1 4.21Å; L449-L453 WeakPolarHBondContact O-CB 3.17Å; L449-L453 VanDerWaalsContact O-CG 3.25Å; L449-L453 WeakPolarHBondContact O-CG 3.28Å; L449-L453 PolarHBondContact O-N 3.14Å; L453-K455 PolarHBondContact O-N 3.41Å; L453-H456 PolarHBondContact O-N 2.8Å; L453-V457 PolarHBondContact O-N 3.42Å
454A76.6Confident84.8Confident46 Ų4633.4 Ų33.438%0.3816%0.164SC..Hα-helixtrans-52.2-23.6175.900000114.5V452 S487V452-A454 VanDerWaalsContact C-N 3.3Å; V452-A454 PolarHBondContact O-N 3.48Å; A454-S487 WeakPolarHBondContact CB-OG 3.48Å
455K78.8Confident85Confident135 Ų13533.4 Ų33.459%0.58716%0.164SC*.Hα-helixtrans-95.9-20178.8-63.5-164.4-169167.20114.7T209 V452 L453T209-K455 WeakPolarHBondContact OG1-CD 3.45Å; T209-K455 WeakPolarHBondContact OG1-CE 3.38Å; T209-K455 PolarHBondContact OG1-NZ 3.29Å; V452-K455 PolarHBondContact O-N 3.26Å; L453-K455 PolarHBondContact O-N 3.41Å
456H76.9Confident85Confident64 Ų6433.4 Ų33.430%0.29616%0.164SC..Hα-helixtrans-107.8-18.8-169.9-65.589.2000112.9V452 L453V452-H456 PolarHBondContact O-ND1 2.92Å; L453-H456 PolarHBondContact O-N 2.8Å
457V73.9Confident84.9Confident20 Ų2034.8 Ų34.812%0.12117%0.172CC..  trans-133.4136.7-174.3-172.70000109.8L426 F434 L453 K459L426-V457 HydrophobicContact CD1-CG2 4.11Å; F434-V457 HydrophobicContact CB-CG1 4.35Å; F434-V457 HydrophobicContact CD2-CG1 3.64Å; F434-V457 HydrophobicContact CD2-CG2 4.08Å; F434-V457 HydrophobicContact CE2-CG1 4.48Å; F434-V457 HydrophobicContact CG-CG1 4.46Å; L453-V457 PolarHBondContact O-N 3.42Å; V457-K459 VanDerWaalsContact CG1-O 3.23Å; V457-K459 WeakPolarHBondContact CG1-O 3.39Å
458E67.2Low84.9Confident199 Ų19935.6 Ų35.693%0.9318%0.178SC*.SBendtrans-66.3-36178-68.8-173.417100113.1
459K70.4Confident84.8Confident143 Ų14338.9 Ų38.962%0.62220%0.2SC*.SBendtrans-141.8121.3176.8-66.8-176.4-178.7177.70111L433 F434 V457L433-K459 HydrophobicContact CD1-CB 3.78Å; F434-K459 PolarHBondContact N-O 3.27Å; V457-K459 VanDerWaalsContact CG1-O 3.23Å; V457-K459 WeakPolarHBondContact CG1-O 3.39Å
460S76.7Confident84.8Confident30 Ų3042 Ų4221%0.2122%0.222CC..EExtended strand (participates in β ladder)trans-133.5139.9171.657.80000111.4F434F434-S460 WeakPolarHBondContact O-CA 3.31Å
461Q82.1Confident85Confident26 Ų2642 Ų4212%0.12122%0.222CC..EExtended strand (participates in β ladder)trans-104.9127165.6-166.1178.615.800108.1F434 N435 V436 I463 E490 R501F434-Q461 PolarHBondContact O-N 2.78Å; F434-Q461 VanDerWaalsContact O-N 3.1Å; N435-Q461 WeakPolarHBondContact CA-O 3.32Å; N435-Q461 WeakPolarHBondContact OD1-CB 3.24Å; V436-Q461 PolarHBondContact N-O 2.89Å; Q461-I463 HydrophobicContact CG-CD1 4.5Å; Q461-I463 HydrophobicContact CG-CG1 4.26Å; Q461-E490 PolarHBondContact NE2-OE1 3.17Å; Q461-R501 PolarHBondContact NE2-O 3.4Å
462L89.7Confident85.3Confident2 Ų240.6 Ų40.61%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-114116.6176.4-177.862.9000109.1V436 V438 P446 L449 I489 E490V436-L462 HydrophobicContact CB-CD1 3.7Å; V436-L462 HydrophobicContact CG1-CD1 3.73Å; V436-L462 WeakPolarHBondContact O-CA 3.32Å; V438-L462 HydrophobicContact CG2-CD1 3.87Å; P446-L462 HydrophobicContact CB-CD2 4.2Å; P446-L462 WeakPolarHBondContact O-CD2 3.43Å; L449-L462 HydrophobicContact CB-CD1 4.31Å; L449-L462 HydrophobicContact CB-CD2 3.88Å; L449-L462 HydrophobicContact CD1-CD1 4.25Å; L462-I489 HydrophobicContact CD2-CD1 4.17Å; L462-I489 HydrophobicContact CD2-CG1 4.04Å; L462-I489 HydrophobicContact CD2-CG2 4.29Å; L462-I489 HydrophobicContact CG-CG2 4.32Å; L462-I489 WeakPolarHBondContact O-CA 3.33Å; L462-E490 PolarHBondContact O-N 2.86Å
463I92.3Very high85.4Confident1 Ų146 Ų461%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-110.5133.1178-60.6169.3000107.9V436 L437 V438 Q461 E490 C492 V498 M502V436-I463 PolarHBondContact O-N 2.87Å; L437-I463 CarbonylContact C-O 3.55Å; L437-I463 WeakPolarHBondContact CA-O 3.21Å; L437-I463 HydrophobicContact CD1-CB 4.02Å; L437-I463 HydrophobicContact CD1-CG2 3.73Å; V438-I463 PolarHBondContact N-O 3.05Å; Q461-I463 HydrophobicContact CG-CD1 4.5Å; Q461-I463 HydrophobicContact CG-CG1 4.26Å; I463-E490 CarbonylContact C-O 3.54Å; I463-E490 WeakPolarHBondContact CA-O 3.36Å; I463-E490 HydrophobicContact CG1-CB 4.49Å; I463-C492 HydrophobicContact CG2-CB 4.4Å; I463-C492 VanDerWaalsContact CG2-SG 3.51Å; I463-V498 HydrophobicContact CG2-CG2 4.19Å; I463-M502 HydrophobicContact CD1-CE 3.7Å; I463-M502 HydrophobicContact CD1-CG 3.5Å
464H95.2Very high85.8Confident0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-114.7112.7176.3179.2-156.5000110.1S440 P446 L475 Y479 I489 E490 S491 C492S440-H464 PolarHBondContact O-NE2 3.18Å; P446-H464 HydrophobicContact CB-CB 4.08Å; P446-H464 HydrophobicContact CG-CB 3.83Å; H464-L475 WeakPolarHBondContact CE1-CD1 3.47Å; H464-Y479 HydrophobicContact CB-CE2 4.47Å; H464-Y479 AromaticContact ND1-CE2 3.79Å; H464-Y479 AromaticContact ND1-CZ 3.92Å; H464-Y479 PolarHBondContact ND1-OH 3.09Å; H464-Y479 VanDerWaalsContact ND1-OH 3.14Å; H464-I489 HydrophobicContact CB-CG2 4.3Å; H464-E490 PolarHBondContact N-O 3.25Å; H464-S491 CarbonylContact O-C 3.47Å; H464-S491 VanDerWaalsContact O-CA 3.31Å; H464-S491 WeakPolarHBondContact O-CA 3.34Å; H464-C492 PolarHBondContact O-N 3.13Å
465L95.2Very high86.5Confident0 Ų044 Ų440%023%0.226CC..EExtended strand (participates in β ladder)trans-91.6105.6170.3179.961.5000109.6L437 V438 V439 S440 C492 I495 V498 Y536 A540L437-L465 HydrophobicContact CD1-CB 4.12Å; V438-L465 PolarHBondContact O-N 3.23Å; V439-L465 HydrophobicContact CG1-CB 4.37Å; V439-L465 HydrophobicContact CG1-CD2 3.9Å; V439-L465 HydrophobicContact CG1-CG 4.22Å; V439-L465 HydrophobicContact CG2-CB 4.19Å; V439-L465 HydrophobicContact CG2-CD2 4.05Å; S440-L465 PolarHBondContact N-O 2.9Å; L465-C492 WeakPolarHBondContact CA-O 3.38Å; L465-C492 HydrophobicContact CD1-CB 4.05Å; L465-I495 HydrophobicContact CD2-CD1 3.56Å; L465-I495 HydrophobicContact CD2-CG1 4.16Å; L465-V498 HydrophobicContact CB-CG2 4.45Å; L465-V498 HydrophobicContact CD1-CG2 4.38Å; L465-V498 HydrophobicContact CD2-CG2 4.49Å; L465-Y536 HydrophobicContact CD2-CE1 3.82Å; L465-Y536 HydrophobicContact CG-CE1 4.3Å; L465-A540 HydrophobicContact CD2-CB 4.32Å
466D94.2Very high87.1Confident0 Ų039.8 Ų39.80%021%0.21CC..  trans-113.7123.8169.8-177.4-38.4000107.3D441 C442 S468 S471 C472 L475 C492 Q493D441-D466 WeakPolarHBondContact CA-OD2 3.18Å; C442-D466 PolarHBondContact N-OD2 3.49Å; C442-D466 VanDerWaalsContact N-OD2 3.08Å; D466-S468 PolarHBondContact O-N 2.96Å; D466-S468 WeakPolarHBondContact OD1-CB 3.3Å; D466-S468 PolarHBondContact OD1-N 2.76Å; D466-S471 WeakPolarHBondContact OD1-CB 3.49Å; D466-S471 VanDerWaalsContact OD2-CB 3.29Å; D466-S471 WeakPolarHBondContact OD2-CB 3.19Å; D466-S471 PolarHBondContact OD2-OG 2.8Å; D466-C472 PolarHBondContact O-SG 3.2Å; D466-L475 HydrophobicContact CB-CD1 4.39Å; D466-L475 WeakPolarHBondContact OD2-CD1 3.38Å; D466-C492 PolarHBondContact N-O 3.03Å; D466-C492 VanDerWaalsContact N-O 3.09Å; D466-Q493 WeakPolarHBondContact O-CA 3.46Å
467T91Very high87.7Confident29 Ų2941 Ų4118%0.17821%0.213CC..SBendtrans-79.7-8.4-172.964.10000113.2D441 P469 Y536D441-T467 VanDerWaalsContact CG-OG1 3.29Å; D441-T467 PolarHBondContact OD1-N 2.88Å; D441-T467 PolarHBondContact OD1-OG1 3.49Å; D441-T467 PolarHBondContact OD2-OG1 3.02Å; T467-P469 WeakPolarHBondContact O-CD 3.27Å; T467-Y536 HydrophobicContact CG2-CD1 3.48Å; T467-Y536 VanDerWaalsContact CG2-CD1 3.48Å; T467-Y536 HydrophobicContact CG2-CE1 3.25Å; T467-Y536 HydrophobicContact CG2-CG 4.43Å
468S90.7Very high88.4Confident18 Ų1840.3 Ų40.313%0.12621%0.208CC..  trans-92.5110.8176.8174.20000110.5D466 S470 S471 C472D466-S468 PolarHBondContact O-N 2.96Å; D466-S468 WeakPolarHBondContact OD1-CB 3.3Å; D466-S468 PolarHBondContact OD1-N 2.76Å; S468-S470 PolarHBondContact O-N 3Å; S468-S471 WeakPolarHBondContact O-CA 3.3Å; S468-S471 WeakPolarHBondContact O-CB 3.31Å; S468-S471 PolarHBondContact O-N 3.24Å; S468-S471 PolarHBondContact OG-N 3.05Å; S468-C472 PolarHBondContact O-N 3.24Å
469P89.8Confident89.4Confident71 Ų7131 Ų3146%0.46116%0.164SC..Hα-helixtrans-56.7-38.6179.1-27.536.9000112.9T467 S471 C472 L473T467-P469 WeakPolarHBondContact O-CD 3.27Å; P469-S471 VanDerWaalsContact C-N 3.32Å; P469-S471 PolarHBondContact O-N 2.86Å; P469-C472 PolarHBondContact O-N 2.79Å; P469-L473 WeakPolarHBondContact O-CG 3.38Å; P469-L473 PolarHBondContact O-N 2.81Å
470S91.4Very high90.1Very high66 Ų6631.3 Ų31.346%0.46217%0.168SC..Hα-helixtrans-69.3-30.5177.7-54.60000112.4S468 L474S468-S470 PolarHBondContact O-N 3Å; S470-L474 PolarHBondContact O-N 2.99Å
471S93.3Very high90.3Very high0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-72.5-42.4176.4-172.70000110.2W398 D466 S468 P469 L473 L474 L475W398-S471 PolarHBondContact NE1-OG 2.88Å; D466-S471 WeakPolarHBondContact OD1-CB 3.49Å; D466-S471 VanDerWaalsContact OD2-CB 3.29Å; D466-S471 WeakPolarHBondContact OD2-CB 3.19Å; D466-S471 PolarHBondContact OD2-OG 2.8Å; S468-S471 WeakPolarHBondContact O-CA 3.3Å; S468-S471 WeakPolarHBondContact O-CB 3.31Å; S468-S471 PolarHBondContact O-N 3.24Å; S468-S471 PolarHBondContact OG-N 3.05Å; P469-S471 VanDerWaalsContact C-N 3.32Å; P469-S471 PolarHBondContact O-N 2.86Å; S471-L473 VanDerWaalsContact C-N 3.34Å; S471-L473 PolarHBondContact O-N 3.4Å; S471-L474 WeakPolarHBondContact O-CB 3.42Å; S471-L474 PolarHBondContact O-N 3.43Å; S471-L474 VanDerWaalsContact O-N 3.16Å; S471-L475 WeakPolarHBondContact O-CB 3.13Å; S471-L475 VanDerWaalsContact O-CG 3.32Å; S471-L475 WeakPolarHBondContact O-CG 3.41Å; S471-L475 PolarHBondContact O-N 3.16Å
472C92.7Very high89.9Confident0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-55.5-45.9174-68.90000112.2D466 S468 P469 L474 L475 D476 Q493D466-C472 PolarHBondContact O-SG 3.2Å; S468-C472 PolarHBondContact O-N 3.24Å; P469-C472 PolarHBondContact O-N 2.79Å; C472-L474 VanDerWaalsContact C-N 3.3Å; C472-L474 PolarHBondContact O-N 2.65Å; C472-L475 PolarHBondContact O-N 3.06Å; C472-L475 VanDerWaalsContact O-N 3.14Å; C472-D476 WeakPolarHBondContact O-CB 3.28Å; C472-D476 PolarHBondContact O-N 3.33Å; C472-Q493 HydrophobicContact CB-CG 3.97Å; C472-Q493 VanDerWaalsContact SG-CG 3.56Å
473L91.4Very high88.7Confident114 Ų11434.9 Ų34.960%0.59719%0.193SC*.Hα-helixtrans-60.4-37.5178.6-69.8174.6000113.5P469 S471 R477P469-L473 WeakPolarHBondContact O-CG 3.38Å; P469-L473 PolarHBondContact O-N 2.81Å; S471-L473 VanDerWaalsContact C-N 3.34Å; S471-L473 PolarHBondContact O-N 3.4Å; L473-R477 PolarHBondContact O-N 3.36Å
474L91.9Very high86.8Confident5 Ų541.3 Ų41.33%0.02623%0.232CC..Hα-helixtrans-67.7-47.8174.2169.965.2000110.7C392 L394 S470 S471 C472 R477 I478C392-L474 WeakPolarHBondContact O-CD1 3.25Å; L394-L474 HydrophobicContact CB-CD2 3.96Å; L394-L474 HydrophobicContact CD1-CD2 3.73Å; L394-L474 HydrophobicContact CG-CD2 4.46Å; S470-L474 PolarHBondContact O-N 2.99Å; S471-L474 WeakPolarHBondContact O-CB 3.42Å; S471-L474 PolarHBondContact O-N 3.43Å; S471-L474 VanDerWaalsContact O-N 3.16Å; C472-L474 VanDerWaalsContact C-N 3.3Å; C472-L474 PolarHBondContact O-N 2.65Å; L474-R477 PolarHBondContact O-N 3.16Å; L474-I478 HydrophobicContact CD1-CD1 4.04Å; L474-I478 HydrophobicContact CG-CD1 4.03Å; L474-I478 WeakPolarHBondContact O-CG1 3.39Å; L474-I478 PolarHBondContact O-N 2.98Å
475L92.2Very high85Confident0 Ų043.9 Ų43.90%025%0.25CS..Hα-helixtrans-65.8-37.7-177.7-72.9171.4000112.5F216 W398 H464 D466 S471 C472 R477 I478 Y479F216-L475 HydrophobicContact CE2-CD2 4.08Å; F216-L475 HydrophobicContact CZ-CD2 3.75Å; W398-L475 HydrophobicContact CH2-CD2 4.38Å; W398-L475 HydrophobicContact CZ2-CD2 3.88Å; W398-L475 HydrophobicContact CZ2-CG 4.31Å; H464-L475 WeakPolarHBondContact CE1-CD1 3.47Å; D466-L475 HydrophobicContact CB-CD1 4.39Å; D466-L475 WeakPolarHBondContact OD2-CD1 3.38Å; S471-L475 WeakPolarHBondContact O-CB 3.13Å; S471-L475 VanDerWaalsContact O-CG 3.32Å; S471-L475 WeakPolarHBondContact O-CG 3.41Å; S471-L475 PolarHBondContact O-N 3.16Å; C472-L475 PolarHBondContact O-N 3.06Å; C472-L475 VanDerWaalsContact O-N 3.14Å; L475-R477 PolarHBondContact O-N 3.33Å; L475-I478 CarbonylContact O-C 3.57Å; L475-I478 WeakPolarHBondContact O-CB 3.4Å; L475-I478 PolarHBondContact O-N 3Å; L475-I478 VanDerWaalsContact O-N 3.12Å; L475-Y479 HydrophobicContact CB-CD2 4.34Å; L475-Y479 HydrophobicContact CB-CE2 3.9Å; L475-Y479 HydrophobicContact CD2-CE1 4.32Å; L475-Y479 WeakPolarHBondContact O-CB 3.38Å; L475-Y479 WeakPolarHBondContact O-CD2 3.44Å; L475-Y479 PolarHBondContact O-N 3.44Å
476D91.2Very high83.2Confident47 Ų4747.4 Ų47.425%0.25129%0.286SS..Hα-helixtrans-57.6-48.5174.5-75.6-23.4000111C472 I478 Y479 E480 S491C472-D476 WeakPolarHBondContact O-CB 3.28Å; C472-D476 PolarHBondContact O-N 3.33Å; D476-I478 VanDerWaalsContact C-N 3.26Å; D476-I478 PolarHBondContact O-N 3.05Å; D476-Y479 PolarHBondContact O-N 3.31Å; D476-E480 WeakPolarHBondContact O-CB 3.48Å; D476-E480 VanDerWaalsContact O-CG 3.27Å; D476-E480 WeakPolarHBondContact O-CG 3.44Å; D476-E480 PolarHBondContact O-N 3.05Å; D476-S491 VanDerWaalsContact CG-OG 3.26Å; D476-S491 WeakPolarHBondContact OD1-CB 3.12Å; D476-S491 PolarHBondContact OD1-OG 3.39Å; D476-S491 PolarHBondContact OD2-OG 3.47Å
477R88.6Confident81.9Confident91 Ų9147.6 Ų47.634%0.34329%0.288SS..Hα-helixtrans-57.7-41.1175.7-165.9-171-52.7165.712.5111.7E220 D393 L473 L474 L475 S481E220-R477 IonicContact OE2-NH1 3.1Å; E220-R477 PolarHBondContact OE2-NH1 2.81Å; E220-R477 VanDerWaalsContact OE2-NH1 3.09Å; D393-R477 IonicContact OD2-CZ 3.72Å; D393-R477 IonicContact OD2-NH1 3.93Å; D393-R477 IonicContact OD2-NH2 3.79Å; D393-R477 PolarHBondContact OD2-NH2 2.89Å; L473-R477 PolarHBondContact O-N 3.36Å; L474-R477 PolarHBondContact O-N 3.16Å; L475-R477 PolarHBondContact O-N 3.33Å; R477-S481 PolarHBondContact O-N 2.74Å
478I88.8Confident81.2Confident5 Ų551.3 Ų51.33%0.02631%0.305CS..Hα-helixtrans-68.3-47.5178.2-65.3168.8000110.5F216 I221 L474 L475 D476 S481 Y482F216-I478 HydrophobicContact CD1-CD1 4.29Å; F216-I478 HydrophobicContact CD2-CG2 3.8Å; F216-I478 HydrophobicContact CE1-CD1 3.73Å; F216-I478 HydrophobicContact CE2-CD1 4.36Å; F216-I478 HydrophobicContact CE2-CG2 3.93Å; F216-I478 HydrophobicContact CG-CG2 4.18Å; F216-I478 HydrophobicContact CZ-CD1 3.78Å; F216-I478 HydrophobicContact CZ-CG2 4.4Å; I221-I478 HydrophobicContact CD1-CD1 4.29Å; L474-I478 HydrophobicContact CD1-CD1 4.04Å; L474-I478 HydrophobicContact CG-CD1 4.03Å; L474-I478 WeakPolarHBondContact O-CG1 3.39Å; L474-I478 PolarHBondContact O-N 2.98Å; L475-I478 CarbonylContact O-C 3.57Å; L475-I478 WeakPolarHBondContact O-CB 3.4Å; L475-I478 PolarHBondContact O-N 3Å; L475-I478 VanDerWaalsContact O-N 3.12Å; D476-I478 VanDerWaalsContact C-N 3.26Å; D476-I478 PolarHBondContact O-N 3.05Å; I478-S481 PolarHBondContact O-N 3.24Å; I478-S481 PolarHBondContact O-OG 2.67Å; I478-Y482 PolarHBondContact O-N 3.31Å
479Y89.3Confident81.1Confident3 Ų350.9 Ų50.91%0.01230%0.302CS..Hα-helixtrans-67.8-39-178.2-62.8-21.4000112.4F216 F447 H464 L475 D476 S481 Y482 S483 I489F216-Y479 HydrophobicContact CE2-CE1 4.39Å; F447-Y479 HydrophobicContact CB-CE1 4.32Å; H464-Y479 HydrophobicContact CB-CE2 4.47Å; H464-Y479 AromaticContact ND1-CE2 3.79Å; H464-Y479 AromaticContact ND1-CZ 3.92Å; H464-Y479 PolarHBondContact ND1-OH 3.09Å; H464-Y479 VanDerWaalsContact ND1-OH 3.14Å; L475-Y479 HydrophobicContact CB-CD2 4.34Å; L475-Y479 HydrophobicContact CB-CE2 3.9Å; L475-Y479 HydrophobicContact CD2-CE1 4.32Å; L475-Y479 WeakPolarHBondContact O-CB 3.38Å; L475-Y479 WeakPolarHBondContact O-CD2 3.44Å; L475-Y479 PolarHBondContact O-N 3.44Å; D476-Y479 PolarHBondContact O-N 3.31Å; Y479-S481 VanDerWaalsContact C-N 3.31Å; Y479-S481 PolarHBondContact O-N 2.58Å; Y479-Y482 PolarHBondContact O-N 3.23Å; Y479-Y482 VanDerWaalsContact O-N 3.15Å; Y479-S483 PolarHBondContact O-N 3.24Å; Y479-S483 PolarHBondContact O-OG 2.94Å; Y479-I489 HydrophobicContact CD1-CB 4.39Å; Y479-I489 HydrophobicContact CD1-CD1 3.9Å; Y479-I489 HydrophobicContact CD1-CG2 4.49Å; Y479-I489 HydrophobicContact CD2-CB 3.87Å; Y479-I489 HydrophobicContact CD2-CG2 3.63Å; Y479-I489 HydrophobicContact CE1-CD1 4.01Å; Y479-I489 HydrophobicContact CE1-CG2 4.44Å; Y479-I489 HydrophobicContact CE2-CB 4.27Å; Y479-I489 HydrophobicContact CE2-CG2 3.54Å; Y479-I489 HydrophobicContact CG-CB 3.93Å; Y479-I489 HydrophobicContact CG-CD1 4.32Å; Y479-I489 HydrophobicContact CG-CG2 4.13Å
480E85.4Confident81.1Confident150 Ų15050 Ų5070%0.70129%0.291SS*.Hα-helixtrans-58.7-42.1173-77.1179.1175.700111.7D476 Y482 S483D476-E480 WeakPolarHBondContact O-CB 3.48Å; D476-E480 VanDerWaalsContact O-CG 3.27Å; D476-E480 WeakPolarHBondContact O-CG 3.44Å; D476-E480 PolarHBondContact O-N 3.05Å; E480-Y482 PolarHBondContact O-N 3.29Å; E480-S483 PolarHBondContact O-N 2.95Å
481S80.3Confident81.1Confident68 Ų6847.1 Ų47.148%0.47627%0.271SS..Hα-helixtrans-64-25.2178.879.90000113.4R477 I478 Y479R477-S481 PolarHBondContact O-N 2.74Å; I478-S481 PolarHBondContact O-N 3.24Å; I478-S481 PolarHBondContact O-OG 2.67Å; Y479-S481 VanDerWaalsContact C-N 3.31Å; Y479-S481 PolarHBondContact O-N 2.58Å
482Y74Confident81Confident22 Ų2247.1 Ų47.19%0.08627%0.271CS..Hα-helixtrans-99-19.8-176.5171.2-110.6000114.4F447 K451 I478 Y479 E480 T484 S485F447-Y482 HydrophobicContact CD2-CD1 4.42Å; F447-Y482 HydrophobicContact CE2-CD1 4.33Å; F447-Y482 HydrophobicContact CE2-CD2 4.32Å; F447-Y482 HydrophobicContact CE2-CG 4.12Å; K451-Y482 HydrophobicContact CD-CE2 3.86Å; K451-Y482 VanDerWaalsContact CD-OH 3.27Å; K451-Y482 WeakPolarHBondContact CD-OH 3.31Å; I478-Y482 PolarHBondContact O-N 3.31Å; Y479-Y482 PolarHBondContact O-N 3.23Å; Y479-Y482 VanDerWaalsContact O-N 3.15Å; E480-Y482 PolarHBondContact O-N 3.29Å; Y482-T484 PolarHBondContact O-N 2.86Å; Y482-S485 WeakPolarHBondContact CE2-OG 3.39Å; Y482-S485 PolarHBondContact O-N 3.21Å; Y482-S485 PolarHBondContact O-OG 3.24Å; Y482-S485 PolarHBondContact OH-OG 2.83Å
483S63.6Low80.9Confident43 Ų4350.4 Ų50.430%0.30129%0.287SS..G310 helixtrans-62.54.4-168.8-69.50000116.1Y479 E480 S485Y479-S483 PolarHBondContact O-N 3.24Å; Y479-S483 PolarHBondContact O-OG 2.94Å; E480-S483 PolarHBondContact O-N 2.95Å; S483-S485 VanDerWaalsContact C-N 3.25Å; S483-S485 PolarHBondContact O-N 3.22Å
484T53.3Low80.8Confident136 Ų13646.4 Ų46.483%0.83427%0.268SS*.G310 helixtrans-71.4-9.3174490000114.7Y482Y482-T484 PolarHBondContact O-N 2.86Å
485S57Low80.5Confident54 Ų5446.3 Ų46.338%0.37827%0.268SS..G310 helixtrans-109.925.9-170.260.80000116.5Y482 S483 S487Y482-S485 WeakPolarHBondContact CE2-OG 3.39Å; Y482-S485 PolarHBondContact O-N 3.21Å; Y482-S485 PolarHBondContact O-OG 3.24Å; Y482-S485 PolarHBondContact OH-OG 2.83Å; S483-S485 VanDerWaalsContact C-N 3.25Å; S483-S485 PolarHBondContact O-N 3.22Å; S485-S487 PolarHBondContact O-N 3.23Å
486G57.6Low80.3Confident73 Ų7352.3 Ų52.375%0.75330%0.295SS*.SBendtrans82.65.8166.100000116.2
487S65.7Low80.2Confident4 Ų452.6 Ų52.63%0.02830%0.296CS..  trans-123.8115.9165.7-72.80000109G450 A454 S485G450-S487 PolarHBondContact O-OG 3.35Å; A454-S487 WeakPolarHBondContact CB-OG 3.48Å; S485-S487 PolarHBondContact O-N 3.23Å
488I77.1Confident80.2Confident108 Ų10848.3 Ų48.355%0.55428%0.279SS*.  trans-89125.9174.1-58.5173.6000106.8E490I488-E490 HydrophobicContact CG2-CG 3.98Å
489I88.4Confident80Confident9 Ų950.3 Ų50.35%0.04629%0.288CS..EExtended strand (participates in β ladder)trans-100.5117.6171.2-47.1-173.5000106.5P446 L462 H464 Y479P446-I489 HydrophobicContact CB-CD1 4.5Å; P446-I489 HydrophobicContact CB-CG2 3.98Å; P446-I489 WeakPolarHBondContact O-CD1 3.26Å; L462-I489 HydrophobicContact CD2-CD1 4.17Å; L462-I489 HydrophobicContact CD2-CG1 4.04Å; L462-I489 HydrophobicContact CD2-CG2 4.29Å; L462-I489 HydrophobicContact CG-CG2 4.32Å; L462-I489 WeakPolarHBondContact O-CA 3.33Å; H464-I489 HydrophobicContact CB-CG2 4.3Å; Y479-I489 HydrophobicContact CD1-CB 4.39Å; Y479-I489 HydrophobicContact CD1-CD1 3.9Å; Y479-I489 HydrophobicContact CD1-CG2 4.49Å; Y479-I489 HydrophobicContact CD2-CB 3.87Å; Y479-I489 HydrophobicContact CD2-CG2 3.63Å; Y479-I489 HydrophobicContact CE1-CD1 4.01Å; Y479-I489 HydrophobicContact CE1-CG2 4.44Å; Y479-I489 HydrophobicContact CE2-CB 4.27Å; Y479-I489 HydrophobicContact CE2-CG2 3.54Å; Y479-I489 HydrophobicContact CG-CB 3.93Å; Y479-I489 HydrophobicContact CG-CD1 4.32Å; Y479-I489 HydrophobicContact CG-CG2 4.13Å
490E89.6Confident79.7Confident52 Ų5254.5 Ų54.524%0.24332%0.317CS..EExtended strand (participates in β ladder)trans-101.2115178.6-64.6177-133.500109.1Q461 L462 I463 H464 I488 R501Q461-E490 PolarHBondContact NE2-OE1 3.17Å; L462-E490 PolarHBondContact O-N 2.86Å; I463-E490 CarbonylContact C-O 3.54Å; I463-E490 WeakPolarHBondContact CA-O 3.36Å; I463-E490 HydrophobicContact CG1-CB 4.49Å; H464-E490 PolarHBondContact N-O 3.25Å; I488-E490 HydrophobicContact CG2-CG 3.98Å; E490-R501 WeakPolarHBondContact OE2-CB 3.29Å; E490-R501 WeakPolarHBondContact OE2-CD 3.43Å
491S91.5Very high79.5Confident6 Ų651 Ų514%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-77.6148.1172.880.10000111.1H464 D476 R501H464-S491 CarbonylContact O-C 3.47Å; H464-S491 VanDerWaalsContact O-CA 3.31Å; H464-S491 WeakPolarHBondContact O-CA 3.34Å; D476-S491 VanDerWaalsContact CG-OG 3.26Å; D476-S491 WeakPolarHBondContact OD1-CB 3.12Å; D476-S491 PolarHBondContact OD1-OG 3.39Å; D476-S491 PolarHBondContact OD2-OG 3.47Å; S491-R501 PolarHBondContact O-NE 3.08Å; S491-R501 VanDerWaalsContact O-NE 3.12Å; S491-R501 PolarHBondContact O-NH2 3.38Å
492C92.5Very high79.3Confident0 Ų048 Ų480%028%0.276CS..EExtended strand (participates in β ladder)trans-135.3148174.5-710000109.1I463 H464 L465 D466 E497 V498 R501I463-C492 HydrophobicContact CG2-CB 4.4Å; I463-C492 VanDerWaalsContact CG2-SG 3.51Å; H464-C492 PolarHBondContact O-N 3.13Å; L465-C492 WeakPolarHBondContact CA-O 3.38Å; L465-C492 HydrophobicContact CD1-CB 4.05Å; D466-C492 PolarHBondContact N-O 3.03Å; D466-C492 VanDerWaalsContact N-O 3.09Å; C492-E497 WeakPolarHBondContact CA-OE2 3.5Å; C492-E497 HydrophobicContact CB-CB 4.14Å; C492-V498 HydrophobicContact CB-CG2 3.79Å; C492-R501 VanDerWaalsContact SG-CD 3.56Å; C492-R501 PolarHBondContact SG-NH1 3.14Å
493Q89.7Confident78.7Confident69 Ų6949.8 Ų49.832%0.32229%0.29SS..SBendtrans-104.1-16.5173.9-67.1171.545.900113.2D466 C472 E497D466-Q493 WeakPolarHBondContact O-CA 3.46Å; C472-Q493 HydrophobicContact CB-CG 3.97Å; C472-Q493 VanDerWaalsContact SG-CG 3.56Å; Q493-E497 PolarHBondContact N-OE2 3.17Å
494S88.4Confident78.3Confident30 Ų3052.6 Ų52.621%0.2131%0.307CS..SBendtrans-144.6167.1-178.2820000112.6E496 E497 V498S494-E496 VanDerWaalsContact C-N 3.33Å; S494-E496 WeakPolarHBondContact CB-OE2 3.47Å; S494-E496 PolarHBondContact OG-N 3.37Å; S494-E496 PolarHBondContact OG-OE2 3.43Å; S494-E497 WeakPolarHBondContact O-CB 3.2Å; S494-E497 PolarHBondContact O-N 3.21Å; S494-E497 PolarHBondContact OG-N 3.4Å; S494-V498 WeakPolarHBondContact O-CG2 3.26Å; S494-V498 PolarHBondContact O-N 2.78Å; S494-V498 VanDerWaalsContact O-N 3.14Å
495I87.2Confident78.2Confident3 Ų350.3 Ų50.32%0.01529%0.29CS..Hα-helixtrans-70.7-32.3176.5-69.7-69.9000111.4L465 E497 V498 F499 A540 N543 L544L465-I495 HydrophobicContact CD2-CD1 3.56Å; L465-I495 HydrophobicContact CD2-CG1 4.16Å; I495-E497 VanDerWaalsContact C-N 3.25Å; I495-E497 PolarHBondContact O-N 2.89Å; I495-V498 WeakPolarHBondContact O-CB 3.5Å; I495-V498 PolarHBondContact O-N 2.87Å; I495-V498 VanDerWaalsContact O-N 3.15Å; I495-F499 HydrophobicContact CG2-CD2 3.96Å; I495-F499 HydrophobicContact CG2-CE2 3.43Å; I495-F499 VanDerWaalsContact CG2-CE2 3.43Å; I495-F499 HydrophobicContact CG2-CZ 4.06Å; I495-F499 WeakPolarHBondContact O-CD2 3.4Å; I495-F499 PolarHBondContact O-N 2.95Å; I495-A540 HydrophobicContact CD1-CB 3.5Å; I495-A540 HydrophobicContact CG1-CB 4.14Å; I495-N543 HydrophobicContact CG2-CB 4.35Å; I495-L544 HydrophobicContact CD1-CD1 4.48Å; I495-L544 HydrophobicContact CD1-CG 4.38Å; I495-L544 HydrophobicContact CG2-CD2 4.38Å
496E87.3Confident78.3Confident125 Ų12548 Ų4858%0.58427%0.273SS*.Hα-helixtrans-59.7-41.5173.5-62.171.9-154.300110.9S494 F499 S500S494-E496 VanDerWaalsContact C-N 3.33Å; S494-E496 WeakPolarHBondContact CB-OE2 3.47Å; S494-E496 PolarHBondContact OG-N 3.37Å; S494-E496 PolarHBondContact OG-OE2 3.43Å; E496-F499 PolarHBondContact O-N 3.17Å; E496-S500 PolarHBondContact O-N 2.84Å; E496-S500 VanDerWaalsContact O-N 3.08Å
497E89.5Confident78.1Confident54 Ų5446.8 Ų46.825%0.25225%0.247SC..Hα-helixtrans-64.3-40.8174.5-95.9-171.4-139.700112.4C492 Q493 S494 I495 F499 S500 R501C492-E497 WeakPolarHBondContact CA-OE2 3.5Å; C492-E497 HydrophobicContact CB-CB 4.14Å; Q493-E497 PolarHBondContact N-OE2 3.17Å; S494-E497 WeakPolarHBondContact O-CB 3.2Å; S494-E497 PolarHBondContact O-N 3.21Å; S494-E497 PolarHBondContact OG-N 3.4Å; I495-E497 VanDerWaalsContact C-N 3.25Å; I495-E497 PolarHBondContact O-N 2.89Å; E497-F499 VanDerWaalsContact C-N 3.33Å; E497-F499 PolarHBondContact O-N 3.02Å; E497-S500 PolarHBondContact O-N 3.44Å; E497-S500 VanDerWaalsContact O-N 3.17Å; E497-S500 PolarHBondContact O-OG 3.06Å; E497-R501 WeakPolarHBondContact O-CG 3.31Å; E497-R501 PolarHBondContact O-N 3.13Å; E497-R501 VanDerWaalsContact O-N 3.09Å; E497-R501 IonicContact OE2-CZ 3.86Å; E497-R501 IonicContact OE2-NH1 3.09Å; E497-R501 PolarHBondContact OE2-NH1 2.95Å; E497-R501 IonicContact OE2-NH2 3.8Å; E497-R501 PolarHBondContact OE2-NH2 2.96Å; E497-R501 VanDerWaalsContact OE2-NH2 3.15Å
498V88.5Confident77.4Confident0 Ų051.5 Ų51.50%028%0.276CS..Hα-helixtrans-58.4-45.3173.31750000110.7L437 I463 L465 C492 S494 I495 S500 R501 M502 L544L437-V498 HydrophobicContact CD1-CG1 4.25Å; L437-V498 HydrophobicContact CD1-CG2 4.07Å; L437-V498 HydrophobicContact CD2-CG1 4.11Å; I463-V498 HydrophobicContact CG2-CG2 4.19Å; L465-V498 HydrophobicContact CB-CG2 4.45Å; L465-V498 HydrophobicContact CD1-CG2 4.38Å; L465-V498 HydrophobicContact CD2-CG2 4.49Å; C492-V498 HydrophobicContact CB-CG2 3.79Å; S494-V498 WeakPolarHBondContact O-CG2 3.26Å; S494-V498 PolarHBondContact O-N 2.78Å; S494-V498 VanDerWaalsContact O-N 3.14Å; I495-V498 WeakPolarHBondContact O-CB 3.5Å; I495-V498 PolarHBondContact O-N 2.87Å; I495-V498 VanDerWaalsContact O-N 3.15Å; V498-S500 VanDerWaalsContact C-N 3.3Å; V498-S500 PolarHBondContact O-N 2.7Å; V498-R501 PolarHBondContact O-N 3.18Å; V498-M502 HydrophobicContact CG1-CE 3.38Å; V498-M502 HydrophobicContact CG1-CG 4.46Å; V498-M502 HydrophobicContact CG1-SD 4.05Å; V498-M502 WeakPolarHBondContact O-CG 3.45Å; V498-M502 PolarHBondContact O-N 3.27Å; V498-L544 HydrophobicContact CG1-CD2 4.32Å
499F83.8Confident76Confident48 Ų4850.3 Ų50.321%0.21127%0.267CS..Hα-helixtrans-60.9-38.6175.8-70.8-59.3000112.7I495 E496 E497 F507 L544 H547I495-F499 HydrophobicContact CG2-CD2 3.96Å; I495-F499 HydrophobicContact CG2-CE2 3.43Å; I495-F499 VanDerWaalsContact CG2-CE2 3.43Å; I495-F499 HydrophobicContact CG2-CZ 4.06Å; I495-F499 WeakPolarHBondContact O-CD2 3.4Å; I495-F499 PolarHBondContact O-N 2.95Å; E496-F499 PolarHBondContact O-N 3.17Å; E497-F499 VanDerWaalsContact C-N 3.33Å; E497-F499 PolarHBondContact O-N 3.02Å; F499-F507 HydrophobicContact CD1-CE1 4.18Å; F499-F507 AromaticContact CD1-CE2 3.72Å; F499-F507 HydrophobicContact CD1-CE2 3.72Å; F499-F507 AromaticContact CD1-CZ 3.52Å; F499-F507 HydrophobicContact CD1-CZ 3.52Å; F499-F507 AromaticContact CE1-CE1 3.95Å; F499-F507 HydrophobicContact CE1-CE1 3.95Å; F499-F507 HydrophobicContact CE1-CE2 4.32Å; F499-F507 AromaticContact CE1-CZ 3.73Å; F499-F507 HydrophobicContact CE1-CZ 3.73Å; F499-L544 HydrophobicContact CD1-CD2 4.34Å; F499-L544 HydrophobicContact CE1-CD2 3.67Å; F499-L544 HydrophobicContact CZ-CD2 3.77Å; F499-H547 HydrophobicContact CE1-CB 3.76Å; F499-H547 HydrophobicContact CE2-CB 4.31Å; F499-H547 AromaticContact CE2-CG 3.88Å; F499-H547 AromaticContact CE2-ND1 3.81Å; F499-H547 HydrophobicContact CZ-CB 3.44Å; F499-H547 VanDerWaalsContact CZ-CB 3.44Å; F499-H547 AromaticContact CZ-CG 3.47Å; F499-H547 VanDerWaalsContact CZ-CG 3.47Å; F499-H547 AromaticContact CZ-ND1 3.6Å
500S83.3Confident74.1Confident90 Ų9056.3 Ų56.363%0.62930%0.304SS*.Hα-helixtrans-69.2-31.5-179.576.60000113.8E496 E497 V498E496-S500 PolarHBondContact O-N 2.84Å; E496-S500 VanDerWaalsContact O-N 3.08Å; E497-S500 PolarHBondContact O-N 3.44Å; E497-S500 VanDerWaalsContact O-N 3.17Å; E497-S500 PolarHBondContact O-OG 3.06Å; V498-S500 VanDerWaalsContact C-N 3.3Å; V498-S500 PolarHBondContact O-N 2.7Å
501R82Confident72.3Confident78 Ų7857.7 Ų57.729%0.29431%0.313SS..Hα-helixtrans-88.9-26.7-177.1-72-167.2-17677.9-11.3113.3Q461 E490 S491 C492 E497 V498Q461-R501 PolarHBondContact NE2-O 3.4Å; E490-R501 WeakPolarHBondContact OE2-CB 3.29Å; E490-R501 WeakPolarHBondContact OE2-CD 3.43Å; S491-R501 PolarHBondContact O-NE 3.08Å; S491-R501 VanDerWaalsContact O-NE 3.12Å; S491-R501 PolarHBondContact O-NH2 3.38Å; C492-R501 VanDerWaalsContact SG-CD 3.56Å; C492-R501 PolarHBondContact SG-NH1 3.14Å; E497-R501 WeakPolarHBondContact O-CG 3.31Å; E497-R501 PolarHBondContact O-N 3.13Å; E497-R501 VanDerWaalsContact O-N 3.09Å; E497-R501 IonicContact OE2-CZ 3.86Å; E497-R501 IonicContact OE2-NH1 3.09Å; E497-R501 PolarHBondContact OE2-NH1 2.95Å; E497-R501 IonicContact OE2-NH2 3.8Å; E497-R501 PolarHBondContact OE2-NH2 2.96Å; E497-R501 VanDerWaalsContact OE2-NH2 3.15Å; V498-R501 PolarHBondContact O-N 3.18Å
502M75.3Confident70.3Confident4 Ų459.7 Ų59.72%0.0233%0.326CS..SBendtrans-66.5137.9172-76.3-175.5-176.800110.7I463 V498 I506 F507 L517I463-M502 HydrophobicContact CD1-CE 3.7Å; I463-M502 HydrophobicContact CD1-CG 3.5Å; V498-M502 HydrophobicContact CG1-CE 3.38Å; V498-M502 HydrophobicContact CG1-CG 4.46Å; V498-M502 HydrophobicContact CG1-SD 4.05Å; V498-M502 WeakPolarHBondContact O-CG 3.45Å; V498-M502 PolarHBondContact O-N 3.27Å; M502-I506 HydrophobicContact CB-CD1 4.15Å; M502-I506 HydrophobicContact CG-CD1 4.45Å; M502-F507 HydrophobicContact CB-CE2 3.77Å; M502-F507 HydrophobicContact CB-CZ 4.39Å; M502-F507 HydrophobicContact CG-CE2 4.41Å; M502-F507 HydrophobicContact SD-CE1 4.46Å; M502-F507 HydrophobicContact SD-CE2 3.81Å; M502-F507 HydrophobicContact SD-CZ 3.42Å; M502-F507 WeakPolarHBondContact SD-CZ 3.38Å; M502-L517 HydrophobicContact CE-CD1 3.42Å; M502-L517 VanDerWaalsContact CE-CD1 3.42Å; M502-L517 HydrophobicContact CE-CD2 3.39Å; M502-L517 HydrophobicContact CE-CG 4.06Å; M502-L517 HydrophobicContact SD-CD1 4.45Å; M502-L517 HydrophobicContact SD-CD2 3.71Å
503T61.2Low68.3Low60 Ų6064 Ų6437%0.36835%0.352SS..  trans-53.3129.9176.8-53.70000109.1N505 I506T503-N505 HydrophobicContact CG2-CB 4.32Å; T503-N505 PolarHBondContact O-N 2.95Å; T503-I506 PolarHBondContact O-N 3.47Å
504P55.7Low66.8Low102 Ų10264.2 Ų64.266%0.66235%0.353SS*.THydrogen-bonded Turntrans-52.2-20.3-176.5-25.829.3000114.7T508P504-T508 PolarHBondContact O-OG1 3.49Å
505N51.7Low65.6Low88 Ų8863 Ų6347%0.47135%0.345SS..THydrogen-bonded Turntrans-84.2-14.4-177.2-64.4-26.4000115.1T503 F507 T508 K509T503-N505 HydrophobicContact CG2-CB 4.32Å; T503-N505 PolarHBondContact O-N 2.95Å; N505-F507 VanDerWaalsContact C-N 3.33Å; N505-F507 PolarHBondContact O-N 2.96Å; N505-T508 WeakPolarHBondContact CA-OG1 3.4Å; N505-T508 PolarHBondContact O-OG1 3.31Å; N505-K509 HydrophobicContact CB-CD 4.39Å; N505-K509 WeakPolarHBondContact O-CB 3.44Å; N505-K509 WeakPolarHBondContact O-CG 3.38Å; N505-K509 PolarHBondContact O-N 3.29Å
506I57.6Low65Low5 Ų563.6 Ų63.63%0.02635%0.348CS..THydrogen-bonded Turntrans-66.9-38-178.8-66.8162.1000110.8N435 M502 T503N435-I506 WeakPolarHBondContact ND2-CD1 2.88Å; M502-I506 HydrophobicContact CB-CD1 4.15Å; M502-I506 HydrophobicContact CG-CD1 4.45Å; T503-I506 PolarHBondContact O-N 3.47Å
507F53.6Low64.8Low48 Ų4857.9 Ų57.921%0.21132%0.322CS..THydrogen-bonded Turntrans-86.8-13.3-177.8-60.2-69.3000114F499 M502 N505 N548F499-F507 HydrophobicContact CD1-CE1 4.18Å; F499-F507 AromaticContact CD1-CE2 3.72Å; F499-F507 HydrophobicContact CD1-CE2 3.72Å; F499-F507 AromaticContact CD1-CZ 3.52Å; F499-F507 HydrophobicContact CD1-CZ 3.52Å; F499-F507 AromaticContact CE1-CE1 3.95Å; F499-F507 HydrophobicContact CE1-CE1 3.95Å; F499-F507 HydrophobicContact CE1-CE2 4.32Å; F499-F507 AromaticContact CE1-CZ 3.73Å; F499-F507 HydrophobicContact CE1-CZ 3.73Å; M502-F507 HydrophobicContact CB-CE2 3.77Å; M502-F507 HydrophobicContact CB-CZ 4.39Å; M502-F507 HydrophobicContact CG-CE2 4.41Å; M502-F507 HydrophobicContact SD-CE1 4.46Å; M502-F507 HydrophobicContact SD-CE2 3.81Å; M502-F507 HydrophobicContact SD-CZ 3.42Å; M502-F507 WeakPolarHBondContact SD-CZ 3.38Å; N505-F507 VanDerWaalsContact C-N 3.33Å; N505-F507 PolarHBondContact O-N 2.96Å; F507-N548 HydrophobicContact CD1-CB 3.75Å; F507-N548 WeakPolarHBondContact CD1-ND2 3.47Å; F507-N548 HydrophobicContact CE1-CB 4.22Å
508T51.4Low64.6Low102 Ų10255.7 Ų55.763%0.62631%0.312SS*.THydrogen-bonded Turntrans-105.2-14.2-175.855.20000113.8P504 N505P504-T508 PolarHBondContact O-OG1 3.49Å; N505-T508 WeakPolarHBondContact CA-OG1 3.4Å; N505-T508 PolarHBondContact O-OG1 3.31Å
509K48.6Very low64.7Low84 Ų8455.7 Ų55.737%0.36531%0.312SS..  trans-81.9124.5-179.8-77.5177.1172.7-156.70111.6N505 N511 E514N505-K509 HydrophobicContact CB-CD 4.39Å; N505-K509 WeakPolarHBondContact O-CB 3.44Å; N505-K509 WeakPolarHBondContact O-CG 3.38Å; N505-K509 PolarHBondContact O-N 3.29Å; K509-N511 VanDerWaalsContact C-N 3.28Å; K509-N511 PolarHBondContact O-N 3.23Å; K509-E514 HydrophobicContact CD-CB 4.3Å; K509-E514 WeakPolarHBondContact CD-OE2 3.45Å; K509-E514 VanDerWaalsContact CE-OE2 3.28Å; K509-E514 WeakPolarHBondContact CE-OE2 3.48Å; K509-E514 IonicContact NZ-OE2 2.7Å; K509-E514 PolarHBondContact NZ-OE2 3.2Å
510T47.6Very low65.2Low135 Ų13553.4 Ų53.483%0.82830%0.302SS*.  trans-77.6-8.317646.40000114P512T510-P512 VanDerWaalsContact O-CD 3.31Å; T510-P512 WeakPolarHBondContact O-CD 3.36Å
511N51.3Low65.6Low81 Ų8149.2 Ų49.243%0.43327%0.272SS..  trans-103104-174.3-143.14.6000111K509 T513 E514K509-N511 VanDerWaalsContact C-N 3.28Å; K509-N511 PolarHBondContact O-N 3.23Å; N511-T513 PolarHBondContact O-N 2.99Å; N511-T513 VanDerWaalsContact O-N 3.09Å; N511-E514 HydrophobicContact CB-CG 4.41Å; N511-E514 PolarHBondContact O-N 3.41Å; N511-E514 VanDerWaalsContact O-N 3.17Å
512P50.9Low66.1Low48 Ų4845.7 Ų45.731%0.31226%0.259SS..THydrogen-bonded Turntrans-62-19-176.519.9-29.9000114.2T510 E514T510-P512 VanDerWaalsContact O-CD 3.31Å; T510-P512 WeakPolarHBondContact O-CD 3.36Å; P512-E514 PolarHBondContact O-N 3.33Å
513T50.1Low66.8Low90 Ų9046 Ų4655%0.55226%0.261SS*.THydrogen-bonded Turntrans-69-16.5177.752.50000113.9N511N511-T513 PolarHBondContact O-N 2.99Å; N511-T513 VanDerWaalsContact O-N 3.09Å
514E57.7Low68.3Low74 Ų7444 Ų4435%0.34625%0.247SC..SBendtrans-94.4-26.7-173.7-68.3-173.5-164.700114.7S432 K509 N511 P512S432-E514 PolarHBondContact OG-O 2.94Å; K509-E514 HydrophobicContact CD-CB 4.3Å; K509-E514 WeakPolarHBondContact CD-OE2 3.45Å; K509-E514 VanDerWaalsContact CE-OE2 3.28Å; K509-E514 WeakPolarHBondContact CE-OE2 3.48Å; K509-E514 IonicContact NZ-OE2 2.7Å; K509-E514 PolarHBondContact NZ-OE2 3.2Å; N511-E514 HydrophobicContact CB-CG 4.41Å; N511-E514 PolarHBondContact O-N 3.41Å; N511-E514 VanDerWaalsContact O-N 3.17Å; P512-E514 PolarHBondContact O-N 3.33Å
515S64.4Low70Confident5 Ų539.5 Ų39.54%0.03522%0.218CC..  trans-159.4128.517956.30000112.1S553S515-S553 WeakPolarHBondContact O-CB 3.2Å
516T74Confident71.8Confident15 Ų1537.1 Ų37.19%0.09221%0.208CC..EExtended strand (participates in β ladder)trans-120.6138174.2-65.30000110N435 I518 S553 Y555N435-T516 PolarHBondContact N-O 2.88Å; T516-I518 HydrophobicContact CG2-CG1 3.93Å; T516-S553 CarbonylContact C-O 3.58Å; T516-S553 WeakPolarHBondContact CA-O 3.24Å; T516-Y555 HydrophobicContact CG2-CD2 3.45Å; T516-Y555 VanDerWaalsContact CG2-CD2 3.45Å; T516-Y555 HydrophobicContact CG2-CE2 3.55Å
517L82.3Confident73.2Confident4 Ų439.3 Ų39.32%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-108119.8171.9177.157.9000109.8N435 L437 M502 S553 L554 Y555N435-L517 HydrophobicContact CB-CD1 3.87Å; N435-L517 WeakPolarHBondContact O-CA 3.42Å; L437-L517 HydrophobicContact CB-CD1 3.94Å; M502-L517 HydrophobicContact CE-CD1 3.42Å; M502-L517 VanDerWaalsContact CE-CD1 3.42Å; M502-L517 HydrophobicContact CE-CD2 3.39Å; M502-L517 HydrophobicContact CE-CG 4.06Å; M502-L517 HydrophobicContact SD-CD1 4.45Å; M502-L517 HydrophobicContact SD-CD2 3.71Å; L517-S553 PolarHBondContact N-O 3.46Å; L517-L554 HydrophobicContact CB-CD1 4.18Å; L517-L554 HydrophobicContact CD2-CD1 3.79Å; L517-L554 HydrophobicContact CG-CD1 3.81Å; L517-L554 WeakPolarHBondContact O-CA 3.22Å; L517-Y555 PolarHBondContact O-N 3.49Å
518I86.3Confident74.9Confident8 Ų838.1 Ų38.14%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-110.1116.9-179.7-57.3-178.2000108.3L422 L426 F434 N435 V436 L437 T516 F557L422-I518 HydrophobicContact CD1-CD1 3.83Å; L422-I518 HydrophobicContact CD1-CG2 4Å; L426-I518 HydrophobicContact CD2-CD1 4.22Å; F434-I518 HydrophobicContact CD1-CD1 4.31Å; N435-I518 PolarHBondContact O-N 3.49Å; V436-I518 WeakPolarHBondContact CA-O 3.17Å; L437-I518 PolarHBondContact N-O 3.2Å; T516-I518 HydrophobicContact CG2-CG1 3.93Å; I518-F557 HydrophobicContact CG2-CB 3.55Å; I518-F557 HydrophobicContact CG2-CD2 4.45Å; I518-F557 HydrophobicContact CG2-CG 4.09Å
519L91Very high76.7Confident0 Ų038.2 Ų38.20%022%0.217CC..EExtended strand (participates in β ladder)trans-89.7127.9172-166.2153.2000109.9L437 V439 F537 F541 L544 Y555 L556 F557L437-L519 HydrophobicContact CD2-CD1 3.99Å; L437-L519 HydrophobicContact CD2-CG 4.41Å; L437-L519 HydrophobicContact CG-CG 4.49Å; L437-L519 WeakPolarHBondContact O-CA 3.44Å; V439-L519 HydrophobicContact CG2-CD1 3.9Å; V439-L519 HydrophobicContact CG2-CD2 4.18Å; V439-L519 HydrophobicContact CG2-CG 4.02Å; L519-F537 HydrophobicContact CD2-CB 4.32Å; L519-F537 HydrophobicContact CD2-CD2 4.26Å; L519-F541 HydrophobicContact CB-CD2 4.35Å; L519-F541 HydrophobicContact CD1-CB 3.94Å; L519-F541 HydrophobicContact CD1-CD2 4.18Å; L519-L544 HydrophobicContact CD1-CD1 4.17Å; L519-Y555 PolarHBondContact N-O 3.14Å; L519-L556 HydrophobicContact CB-CD1 4.45Å; L519-L556 HydrophobicContact CD2-CD1 3.56Å; L519-F557 VanDerWaalsContact O-CB 3.28Å; L519-F557 WeakPolarHBondContact O-CB 3.47Å; L519-F557 PolarHBondContact O-N 2.74Å
520I92.8Very high78.7Confident1 Ų135.4 Ų35.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-127.4137175.3-169.4175.8000108.5I418 V436 L437 V438 V439 L445 L449 F557I418-I520 HydrophobicContact CD1-CD1 3.48Å; I418-I520 VanDerWaalsContact CD1-CD1 3.48Å; I418-I520 HydrophobicContact CD1-CG1 3.43Å; I418-I520 VanDerWaalsContact CD1-CG1 3.43Å; I418-I520 HydrophobicContact CG1-CD1 3.71Å; I418-I520 HydrophobicContact CG1-CG1 4.14Å; I418-I520 HydrophobicContact CG2-CD1 4.4Å; V436-I520 HydrophobicContact CG1-CG2 3.9Å; L437-I520 PolarHBondContact O-N 3.45Å; V438-I520 CarbonylContact C-O 3.54Å; V438-I520 VanDerWaalsContact CA-O 3.27Å; V438-I520 WeakPolarHBondContact CA-O 3.32Å; V438-I520 HydrophobicContact CB-CG2 4.19Å; V438-I520 HydrophobicContact CG1-CG2 4.43Å; V438-I520 HydrophobicContact CG2-CG2 3.64Å; V439-I520 PolarHBondContact N-O 3.09Å; L445-I520 HydrophobicContact CD1-CD1 4.44Å; L445-I520 HydrophobicContact CD2-CD1 4.09Å; L445-I520 HydrophobicContact CD2-CG1 4.12Å; L445-I520 HydrophobicContact CD2-CG2 4.4Å; L449-I520 HydrophobicContact CD1-CD1 4.46Å; L449-I520 HydrophobicContact CD1-CG2 4.12Å; I520-F557 HydrophobicContact CD1-CD1 4.34Å; I520-F557 HydrophobicContact CG1-CD1 4.41Å
521S93.4Very high80.7Confident2 Ų229.2 Ų29.21%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-132.6139.3177.9-178.20000111.1V439 F537 S558V439-S521 WeakPolarHBondContact O-CA 3.31Å; V439-S521 VanDerWaalsContact O-CB 3.25Å; V439-S521 WeakPolarHBondContact O-CB 3.39Å; V439-S521 PolarHBondContact O-OG 3.25Å; S521-F537 VanDerWaalsContact CB-CB 3.48Å; S521-F537 VanDerWaalsContact CB-CG 3.43Å; S521-F537 VanDerWaalsContact OG-CB 3.31Å; S521-F537 WeakPolarHBondContact OG-CB 3.44Å; S521-F537 WeakPolarHBondContact OG-CD1 3.34Å; S521-F537 VanDerWaalsContact OG-CG 3.32Å; S521-F537 WeakPolarHBondContact OG-CG 3.18Å; S521-S558 PolarHBondContact N-O 3.02Å
522E91.3Very high82.6Confident3 Ų325.6 Ų25.61%0.01415%0.148CC..  trans-93.5116147.1175.8178.7-166.400106.1R402 Y411 F414 S440 T443 Y524R402-E522 IonicContact CZ-OE1 3.15Å; R402-E522 IonicContact CZ-OE2 2.7Å; R402-E522 IonicContact NH1-OE1 2.66Å; R402-E522 PolarHBondContact NH1-OE1 3.04Å; R402-E522 IonicContact NH2-OE1 3.44Å; R402-E522 PolarHBondContact NH2-OE1 3.29Å; R402-E522 IonicContact NH2-OE2 2.79Å; R402-E522 PolarHBondContact NH2-OE2 3.15Å; Y411-E522 WeakPolarHBondContact CE2-OE1 3.47Å; Y411-E522 WeakPolarHBondContact CE2-OE2 3.2Å; F414-E522 HydrophobicContact CE1-CB 4.02Å; F414-E522 HydrophobicContact CE1-CG 3.93Å; F414-E522 HydrophobicContact CZ-CB 4.05Å; F414-E522 HydrophobicContact CZ-CG 4.28Å; S440-E522 WeakPolarHBondContact CB-O 3.28Å; S440-E522 PolarHBondContact OG-O 3.41Å; S440-E522 VanDerWaalsContact OG-O 3.05Å; T443-E522 WeakPolarHBondContact CB-OE2 3.45Å; T443-E522 PolarHBondContact OG1-OE2 3.36Å; E522-Y524 PolarHBondContact O-N 2.94Å
523P89.3Confident84.5Confident10 Ų1024.4 Ų24.47%0.06514%0.139CC..  trans-73.380.7-17630.9-32.5000108.9S534 F537 P559 W674 Y676P523-S534 WeakPolarHBondContact CB-O 3.48Å; P523-S534 WeakPolarHBondContact O-CB 3.34Å; P523-S534 PolarHBondContact O-OG 3.12Å; P523-F537 HydrophobicContact CB-CD1 4.28Å; P523-F537 HydrophobicContact CB-CE1 3.96Å; P523-P559 HydrophobicContact CG-CG 4.38Å; P523-W674 HydrophobicContact CB-CD2 4.09Å; P523-W674 HydrophobicContact CB-CE3 4.43Å; P523-W674 HydrophobicContact CB-CH2 4.03Å; P523-W674 HydrophobicContact CB-CZ2 3.66Å; P523-W674 HydrophobicContact CB-CZ3 4.4Å; P523-W674 HydrophobicContact CG-CD2 3.6Å; P523-W674 VanDerWaalsContact CG-CE2 3.45Å; P523-W674 HydrophobicContact CG-CE3 4.26Å; P523-W674 HydrophobicContact CG-CG 3.73Å; P523-W674 HydrophobicContact CG-CZ2 4Å; P523-Y676 WeakPolarHBondContact CD-OH 3.41Å
524Y92.7Very high86.5Confident18 Ų1820.2 Ų20.27%0.07111%0.113CC..  trans-139.6128.2172.9-177.2-87.5000109.3R402 D441 C442 E522R402-Y524 HydrophobicContact CB-CE1 4.48Å; R402-Y524 HydrophobicContact CB-CE2 4.24Å; R402-Y524 WeakPolarHBondContact CB-OH 3.46Å; R402-Y524 HydrophobicContact CG-CE1 3.89Å; R402-Y524 HydrophobicContact CG-CE2 4.15Å; D441-Y524 HydrophobicContact CB-CD1 4.1Å; D441-Y524 HydrophobicContact CB-CE1 4.38Å; D441-Y524 PolarHBondContact N-O 2.84Å; D441-Y524 WeakPolarHBondContact O-CD1 3.44Å; C442-Y524 HydrophobicContact CB-CD1 4.31Å; C442-Y524 HydrophobicContact CB-CE1 3.93Å; E522-Y524 PolarHBondContact O-N 2.94Å
525I91.1Very high88.1Confident9 Ų916.7 Ų16.75%0.04610%0.097CC..  trans-129.2132174.2-52172.4000106.8P13 S527 S528 S534 Y536P13-I525 HydrophobicContact CB-CG2 4.3Å; P13-I525 VanDerWaalsContact O-CD1 3.28Å; P13-I525 WeakPolarHBondContact O-CD1 3.42Å; I525-S527 PolarHBondContact O-N 3.35Å; I525-S527 VanDerWaalsContact O-N 3.16Å; I525-S528 WeakPolarHBondContact CB-OG 3.44Å; I525-S528 VanDerWaalsContact O-CB 3.3Å; I525-S528 WeakPolarHBondContact O-CB 3.25Å; I525-S528 PolarHBondContact O-N 3.04Å; I525-S534 PolarHBondContact N-OG 2.63Å; I525-Y536 HydrophobicContact CD1-CG 4.43Å
526S89.6Confident89.4Confident38 Ų3817.5 Ų17.527%0.26610%0.1SC..THydrogen-bonded Turntrans-60.6-26.9-174.855.90000113.9D441D441-S526 VanDerWaalsContact OD2-CB 3.31Å; D441-S526 WeakPolarHBondContact OD2-CB 3.36Å; D441-S526 PolarHBondContact OD2-N 3.09Å; D441-S526 PolarHBondContact OD2-OG 2.92Å
527S88Confident90.3Very high50 Ų5017 Ų1735%0.3510%0.096SC..THydrogen-bonded Turntrans-96.11.1177.551.40000114.4P13 I525P13-S527 WeakPolarHBondContact CB-OG 3.35Å; I525-S527 PolarHBondContact O-N 3.35Å; I525-S527 VanDerWaalsContact O-N 3.16Å
528S88.7Confident90.7Very high24 Ų2416.8 Ų16.817%0.16810%0.095CC..  trans-67.1143.1173.2-770000111.3I525 D533 S534I525-S528 WeakPolarHBondContact CB-OG 3.44Å; I525-S528 VanDerWaalsContact O-CB 3.3Å; I525-S528 WeakPolarHBondContact O-CB 3.25Å; I525-S528 PolarHBondContact O-N 3.04Å; S528-D533 VanDerWaalsContact OG-CB 3.29Å; S528-D533 WeakPolarHBondContact OG-CB 3.43Å; S528-S534 PolarHBondContact OG-OG 2.74Å; S528-S534 VanDerWaalsContact OG-OG 3.12Å
529I88.7Confident90.9Very high104 Ų10417.5 Ų17.553%0.53310%0.097SC..  trans-109.8-45.5-179.6-60.1-179.1000109.7D533 P610I529-D533 PolarHBondContact N-OD2 2.76Å; I529-P610 HydrophobicContact CG2-CB 3.92Å; I529-P610 HydrophobicContact CG2-CG 3.47Å; I529-P610 VanDerWaalsContact CG2-CG 3.47Å; I529-P610 WeakPolarHBondContact O-CB 3.46Å
530L92.5Very high90.8Very high25 Ų2517.5 Ų17.513%0.13110%0.098CC..SBendtrans-101.8155.9-177.9-62.3171.7000111.9W532 D533 I608 P610L530-W532 HydrophobicContact CB-CD2 4.43Å; L530-W532 HydrophobicContact CB-CZ2 4.2Å; L530-W532 HydrophobicContact CD1-CZ2 3.85Å; L530-W532 HydrophobicContact CG-CZ2 4.44Å; L530-W532 PolarHBondContact O-N 3.42Å; L530-D533 PolarHBondContact N-OD2 3.31Å; L530-D533 WeakPolarHBondContact O-CB 3.4Å; L530-D533 PolarHBondContact O-N 2.64Å; L530-I608 HydrophobicContact CD1-CB 4.41Å; L530-I608 HydrophobicContact CD1-CG2 4.38Å; L530-I608 HydrophobicContact CD2-CB 4.42Å; L530-I608 HydrophobicContact CD2-CG2 3.68Å; L530-P610 HydrophobicContact CD2-CB 4.4Å
531P89.1Confident90.6Very high5 Ų517.5 Ų17.53%0.03210%0.097CC..THydrogen-bonded Turntrans-52.3-31.4-178.3-25.828.8000115.8C672 A693 Q713P531-C672 VanDerWaalsContact C-SG 3.54Å; P531-C672 HydrophobicContact CB-CB 4.13Å; P531-C672 WeakPolarHBondContact CB-SG 3.29Å; P531-C672 PolarHBondContact O-SG 3.33Å; P531-A693 HydrophobicContact CB-CB 4.22Å; P531-A693 HydrophobicContact CG-CB 4.13Å; P531-Q713 WeakPolarHBondContact CD-O 3.23Å; P531-Q713 VanDerWaalsContact CG-O 3.24Å; P531-Q713 WeakPolarHBondContact CG-O 3.41Å
532W91.1Very high90.1Very high4 Ų418.2 Ų18.22%0.01510%0.101CC..THydrogen-bonded Turntrans-98.3-0.6-175.449.473.4000113.8L530 S534 L562 I564 I608 L670 M739 L748L530-W532 HydrophobicContact CB-CD2 4.43Å; L530-W532 HydrophobicContact CB-CZ2 4.2Å; L530-W532 HydrophobicContact CD1-CZ2 3.85Å; L530-W532 HydrophobicContact CG-CZ2 4.44Å; L530-W532 PolarHBondContact O-N 3.42Å; W532-S534 PolarHBondContact O-N 3.22Å; W532-L562 HydrophobicContact CB-CD2 4.49Å; W532-I564 HydrophobicContact CB-CD1 3.69Å; W532-I564 HydrophobicContact CB-CG1 4.3Å; W532-I564 HydrophobicContact CD2-CD1 3.72Å; W532-I564 HydrophobicContact CD2-CG1 4.42Å; W532-I564 HydrophobicContact CE3-CB 4.5Å; W532-I564 HydrophobicContact CE3-CD1 3.78Å; W532-I564 HydrophobicContact CE3-CG1 4Å; W532-I564 HydrophobicContact CE3-CG2 3.7Å; W532-I564 HydrophobicContact CG-CD1 3.71Å; W532-I564 HydrophobicContact CH2-CG2 4.47Å; W532-I564 HydrophobicContact CZ3-CG2 3.65Å; W532-I608 HydrophobicContact CH2-CG2 4.29Å; W532-I608 HydrophobicContact CZ2-CG2 4.35Å; W532-L670 HydrophobicContact CH2-CB 3.68Å; W532-L670 HydrophobicContact CH2-CD2 4.14Å; W532-L670 HydrophobicContact CH2-CG 4.34Å; W532-L670 HydrophobicContact CZ3-CB 3.65Å; W532-L670 HydrophobicContact CZ3-CD2 4.49Å; W532-M739 HydrophobicContact CH2-CE 3.89Å; W532-M739 HydrophobicContact CZ2-CE 3.68Å; W532-M739 HydrophobicContact CZ3-CE 4.45Å; W532-L748 HydrophobicContact CG-CD1 4.48Å; W532-L748 HydrophobicContact CG-CD2 4.39Å
533D91.2Very high89.8Confident23 Ų2320.5 Ų20.512%0.12311%0.113CC..  trans-67.5-19-179.4-70.9-12.1000112.3V14 S528 I529 L530 L535V14-D533 WeakPolarHBondContact CA-O 3.48Å; V14-D533 HydrophobicContact CG2-CB 4.09Å; V14-D533 VanDerWaalsContact CG2-O 3.3Å; V14-D533 WeakPolarHBondContact CG2-O 3.32Å; S528-D533 VanDerWaalsContact OG-CB 3.29Å; S528-D533 WeakPolarHBondContact OG-CB 3.43Å; I529-D533 PolarHBondContact N-OD2 2.76Å; L530-D533 PolarHBondContact N-OD2 3.31Å; L530-D533 WeakPolarHBondContact O-CB 3.4Å; L530-D533 PolarHBondContact O-N 2.64Å; D533-L535 PolarHBondContact O-N 3.16Å
534S90.6Very high89.6Confident2 Ų220 Ų201%0.01411%0.11CC..  trans-80.550.8-176.6-55.10000113.5P523 I525 S528 W532 F537P523-S534 WeakPolarHBondContact CB-O 3.48Å; P523-S534 WeakPolarHBondContact O-CB 3.34Å; P523-S534 PolarHBondContact O-OG 3.12Å; I525-S534 PolarHBondContact N-OG 2.63Å; S528-S534 PolarHBondContact OG-OG 2.74Å; S528-S534 VanDerWaalsContact OG-OG 3.12Å; W532-S534 PolarHBondContact O-N 3.22Å; S534-F537 WeakPolarHBondContact O-CD1 3.46Å; S534-F537 VanDerWaalsContact O-CE1 3.3Å; S534-F537 WeakPolarHBondContact O-CE1 3.31Å
535L92Very high88.9Confident0 Ų019.9 Ų19.90%011%0.11CC..  trans-98.4-0.8178-83.6173000113.7V14 D533 F537 W538 Y539 L562 L632 W674 F741 L748V14-L535 HydrophobicContact CG1-CB 3.9Å; V14-L535 HydrophobicContact CG1-CD1 4.45Å; D533-L535 PolarHBondContact O-N 3.16Å; L535-F537 HydrophobicContact CD2-CE1 4.45Å; L535-F537 PolarHBondContact O-N 3.17Å; L535-F537 VanDerWaalsContact O-N 3.14Å; L535-W538 WeakPolarHBondContact O-CB 3.33Å; L535-W538 PolarHBondContact O-N 2.81Å; L535-Y539 PolarHBondContact O-N 3.34Å; L535-L562 HydrophobicContact CD1-CD2 4.25Å; L535-L562 HydrophobicContact CD2-CD2 4.06Å; L535-L562 HydrophobicContact CG-CD2 4.37Å; L535-L632 HydrophobicContact CD2-CD2 4.48Å; L535-W674 HydrophobicContact CD2-CH2 3.74Å; L535-W674 HydrophobicContact CD2-CZ3 3.92Å; L535-W674 HydrophobicContact CG-CH2 4.12Å; L535-F741 HydrophobicContact CD1-CE2 4.3Å; L535-F741 HydrophobicContact CD1-CZ 4.15Å; L535-L748 HydrophobicContact CD1-CD1 4.03Å
536Y92.6Very high88.3Confident23 Ų2323.5 Ų23.59%0.0914%0.136CC..Hα-helixtrans-55.6-35.4-176.9178.3-114.6000113.7V14 V439 L465 T467 I525 W538 Y539 A540V14-Y536 WeakPolarHBondContact O-CA 3.48Å; V14-Y536 PolarHBondContact O-N 2.79Å; V439-Y536 HydrophobicContact CG1-CD1 3.95Å; V439-Y536 HydrophobicContact CG1-CE1 4.25Å; L465-Y536 HydrophobicContact CD2-CE1 3.82Å; L465-Y536 HydrophobicContact CG-CE1 4.3Å; T467-Y536 HydrophobicContact CG2-CD1 3.48Å; T467-Y536 VanDerWaalsContact CG2-CD1 3.48Å; T467-Y536 HydrophobicContact CG2-CE1 3.25Å; T467-Y536 HydrophobicContact CG2-CG 4.43Å; I525-Y536 HydrophobicContact CD1-CG 4.43Å; Y536-W538 PolarHBondContact O-N 3.07Å; Y536-Y539 CarbonylContact O-C 3.57Å; Y536-Y539 PolarHBondContact O-N 3.1Å; Y536-A540 HydrophobicContact CE1-CB 4.49Å; Y536-A540 WeakPolarHBondContact O-CB 3.34Å; Y536-A540 PolarHBondContact O-N 2.98Å
537F93.1Very high87.6Confident4 Ų427.1 Ų27.12%0.01815%0.149CC..Hα-helixtrans-56.7-33.5175.675.7-88.2000112.8V439 L519 S521 P523 S534 L535 F541 L556 P559 L632 W674V439-F537 HydrophobicContact CB-CB 3.79Å; V439-F537 HydrophobicContact CG1-CB 3.84Å; L519-F537 HydrophobicContact CD2-CB 4.32Å; L519-F537 HydrophobicContact CD2-CD2 4.26Å; S521-F537 VanDerWaalsContact CB-CB 3.48Å; S521-F537 VanDerWaalsContact CB-CG 3.43Å; S521-F537 VanDerWaalsContact OG-CB 3.31Å; S521-F537 WeakPolarHBondContact OG-CB 3.44Å; S521-F537 WeakPolarHBondContact OG-CD1 3.34Å; S521-F537 VanDerWaalsContact OG-CG 3.32Å; S521-F537 WeakPolarHBondContact OG-CG 3.18Å; P523-F537 HydrophobicContact CB-CD1 4.28Å; P523-F537 HydrophobicContact CB-CE1 3.96Å; S534-F537 WeakPolarHBondContact O-CD1 3.46Å; S534-F537 VanDerWaalsContact O-CE1 3.3Å; S534-F537 WeakPolarHBondContact O-CE1 3.31Å; L535-F537 HydrophobicContact CD2-CE1 4.45Å; L535-F537 PolarHBondContact O-N 3.17Å; L535-F537 VanDerWaalsContact O-N 3.14Å; F537-F541 WeakPolarHBondContact O-CB 3.5Å; F537-F541 PolarHBondContact O-N 2.81Å; F537-L556 HydrophobicContact CD2-CD1 4Å; F537-L556 HydrophobicContact CE2-CD1 4.11Å; F537-L556 HydrophobicContact CE2-CD2 4.45Å; F537-P559 HydrophobicContact CE1-CG 4.03Å; F537-P559 HydrophobicContact CE2-CG 3.84Å; F537-P559 HydrophobicContact CZ-CG 3.43Å; F537-P559 VanDerWaalsContact CZ-CG 3.43Å; F537-L632 HydrophobicContact CE2-CD1 3.94Å; F537-L632 HydrophobicContact CZ-CD1 3.59Å; F537-W674 HydrophobicContact CE1-CH2 4.15Å; F537-W674 AromaticContact CE1-CZ3 3.92Å; F537-W674 HydrophobicContact CE1-CZ3 3.92Å; F537-W674 AromaticContact CZ-CZ3 3.94Å; F537-W674 HydrophobicContact CZ-CZ3 3.94Å
538W90Very high86.6Confident0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-73.5-41.3176.3179.176.4000110.9L535 Y536 F541 Q542 M630 L632 F741 I743L535-W538 WeakPolarHBondContact O-CB 3.33Å; L535-W538 PolarHBondContact O-N 2.81Å; Y536-W538 PolarHBondContact O-N 3.07Å; W538-F541 WeakPolarHBondContact O-CB 3.48Å; W538-F541 PolarHBondContact O-N 3.01Å; W538-Q542 HydrophobicContact CD2-CG 4.22Å; W538-Q542 HydrophobicContact CH2-CG 4.36Å; W538-Q542 HydrophobicContact CZ2-CG 4Å; W538-Q542 WeakPolarHBondContact O-CG 3.17Å; W538-Q542 PolarHBondContact O-N 3.25Å; W538-M630 HydrophobicContact CD2-CE 3.87Å; W538-M630 HydrophobicContact CE3-CE 4.06Å; W538-M630 HydrophobicContact CH2-CE 3.78Å; W538-M630 HydrophobicContact CZ2-CE 3.56Å; W538-M630 HydrophobicContact CZ3-CE 4.01Å; W538-L632 HydrophobicContact CB-CD2 4.4Å; W538-L632 HydrophobicContact CD2-CD2 4.45Å; W538-L632 HydrophobicContact CG-CD2 3.91Å; W538-F741 HydrophobicContact CZ3-CE1 4.4Å; W538-F741 HydrophobicContact CZ3-CZ 4.46Å; W538-I743 HydrophobicContact CH2-CG2 3.69Å; W538-I743 HydrophobicContact CZ3-CG2 4.05Å
539Y89.4Confident85Confident22 Ų2228.2 Ų28.29%0.08615%0.154CC..Hα-helixtrans-64.5-40.8173.4-77.3-84.3000112.7V14 V15 L535 Y536 F541 Q542 N543 F741 I743 G746V14-Y539 HydrophobicContact CG1-CD2 4.26Å; V14-Y539 HydrophobicContact CG1-CE2 3.62Å; V14-Y539 WeakPolarHBondContact O-CD2 3.14Å; V15-Y539 HydrophobicContact CB-CD1 4.46Å; V15-Y539 HydrophobicContact CG1-CD1 4Å; V15-Y539 HydrophobicContact CG1-CD2 4.22Å; V15-Y539 HydrophobicContact CG1-CE1 3.62Å; V15-Y539 HydrophobicContact CG1-CE2 3.86Å; V15-Y539 HydrophobicContact CG1-CG 4.28Å; L535-Y539 PolarHBondContact O-N 3.34Å; Y536-Y539 CarbonylContact O-C 3.57Å; Y536-Y539 PolarHBondContact O-N 3.1Å; Y539-F541 VanDerWaalsContact C-N 3.33Å; Y539-F541 PolarHBondContact O-N 2.89Å; Y539-Q542 PolarHBondContact O-N 3.21Å; Y539-N543 WeakPolarHBondContact O-CB 3.36Å; Y539-N543 PolarHBondContact O-N 2.85Å; Y539-F741 HydrophobicContact CE2-CZ 4.34Å; Y539-F741 WeakPolarHBondContact OH-CZ 3.27Å; Y539-I743 VanDerWaalsContact CE1-O 3.28Å; Y539-I743 WeakPolarHBondContact CE1-O 3.01Å; Y539-I743 PolarHBondContact OH-O 3.45Å; Y539-G746 VanDerWaalsContact OH-CA 3.31Å; Y539-G746 WeakPolarHBondContact OH-CA 3.23Å
540A90.1Very high83.4Confident1 Ų125.2 Ų25.21%0.00814%0.144CC..Hα-helixtrans-56-47.5170.200000111.3L465 I495 Y536 Q542 N543 L544L465-A540 HydrophobicContact CD2-CB 4.32Å; I495-A540 HydrophobicContact CD1-CB 3.5Å; I495-A540 HydrophobicContact CG1-CB 4.14Å; Y536-A540 HydrophobicContact CE1-CB 4.49Å; Y536-A540 WeakPolarHBondContact O-CB 3.34Å; Y536-A540 PolarHBondContact O-N 2.98Å; A540-Q542 PolarHBondContact O-N 3.46Å; A540-N543 PolarHBondContact O-N 3.4Å; A540-L544 VanDerWaalsContact O-CG 3.31Å; A540-L544 WeakPolarHBondContact O-CG 3.49Å; A540-L544 PolarHBondContact O-N 2.99Å
541F87.7Confident81.5Confident0 Ų027.3 Ų27.30%015%0.151CC..Hα-helixtrans-59.2-46.1175.3-177.6-110.9000112.4L519 F537 W538 Y539 N543 L544 L545 L554 L556L519-F541 HydrophobicContact CB-CD2 4.35Å; L519-F541 HydrophobicContact CD1-CB 3.94Å; L519-F541 HydrophobicContact CD1-CD2 4.18Å; F537-F541 WeakPolarHBondContact O-CB 3.5Å; F537-F541 PolarHBondContact O-N 2.81Å; W538-F541 WeakPolarHBondContact O-CB 3.48Å; W538-F541 PolarHBondContact O-N 3.01Å; Y539-F541 VanDerWaalsContact C-N 3.33Å; Y539-F541 PolarHBondContact O-N 2.89Å; F541-N543 VanDerWaalsContact C-N 3.35Å; F541-N543 PolarHBondContact O-N 3.27Å; F541-L544 PolarHBondContact O-N 2.93Å; F541-L545 HydrophobicContact CD1-CD1 3.79Å; F541-L545 HydrophobicContact CD1-CG 4.48Å; F541-L545 HydrophobicContact CE1-CD1 3.38Å; F541-L545 HydrophobicContact CE1-CG 4.16Å; F541-L545 HydrophobicContact CZ-CD1 3.82Å; F541-L545 HydrophobicContact CZ-CD2 4.38Å; F541-L545 HydrophobicContact CZ-CG 4.18Å; F541-L545 WeakPolarHBondContact O-CG 3.32Å; F541-L545 PolarHBondContact O-N 3.42Å; F541-L554 HydrophobicContact CD2-CD1 4.11Å; F541-L554 HydrophobicContact CD2-CD2 4.29Å; F541-L554 HydrophobicContact CD2-CG 4.15Å; F541-L554 HydrophobicContact CE2-CD1 3.86Å; F541-L554 HydrophobicContact CE2-CD2 4.07Å; F541-L554 HydrophobicContact CE2-CG 3.59Å; F541-L554 HydrophobicContact CZ-CG 4.41Å; F541-L556 HydrophobicContact CD1-CB 4.16Å; F541-L556 HydrophobicContact CD1-CD2 4.29Å; F541-L556 HydrophobicContact CD2-CB 3.93Å; F541-L556 HydrophobicContact CE1-CB 3.88Å; F541-L556 HydrophobicContact CE2-CB 3.65Å; F541-L556 HydrophobicContact CG-CB 4.18Å; F541-L556 HydrophobicContact CZ-CB 3.64Å
542Q83.8Confident80.1Confident18 Ų1829.5 Ų29.58%0.08417%0.166CC..Hα-helixtrans-62.8-40.2177.1-66.1-56.1-41.300112.1W538 Y539 A540 L545 S546W538-Q542 HydrophobicContact CD2-CG 4.22Å; W538-Q542 HydrophobicContact CH2-CG 4.36Å; W538-Q542 HydrophobicContact CZ2-CG 4Å; W538-Q542 WeakPolarHBondContact O-CG 3.17Å; W538-Q542 PolarHBondContact O-N 3.25Å; Y539-Q542 PolarHBondContact O-N 3.21Å; A540-Q542 PolarHBondContact O-N 3.46Å; Q542-L545 WeakPolarHBondContact O-CB 3.06Å; Q542-L545 PolarHBondContact O-N 3.38Å; Q542-S546 PolarHBondContact O-N 3.21Å; Q542-S546 PolarHBondContact O-OG 3.28Å
543N85.2Confident79.1Confident51 Ų5129.6 Ų29.627%0.27317%0.167SC..Hα-helixtrans-65.7-39.5177.2-167.41.8000111.7I495 Y539 A540 F541 S546 H547I495-N543 HydrophobicContact CG2-CB 4.35Å; Y539-N543 WeakPolarHBondContact O-CB 3.36Å; Y539-N543 PolarHBondContact O-N 2.85Å; A540-N543 PolarHBondContact O-N 3.4Å; F541-N543 VanDerWaalsContact C-N 3.35Å; F541-N543 PolarHBondContact O-N 3.27Å; N543-S546 PolarHBondContact O-N 2.85Å; N543-S546 PolarHBondContact O-OG 3.48Å; N543-H547 PolarHBondContact O-N 3.47Å; N543-H547 PolarHBondContact O-ND1 2.97Å; N543-H547 PolarHBondContact OD1-CE1 2.93Å; N543-H547 PolarHBondContact OD1-ND1 3.38Å; N543-H547 VanDerWaalsContact OD1-ND1 3.09Å
544L83.6Confident78.5Confident0 Ų028.7 Ų28.70%016%0.163CC..Hα-helixtrans-62.9-43172.6-69.9166.1000111.7L437 I495 V498 F499 L519 A540 F541 H547 N548 L554L437-L544 HydrophobicContact CD2-CD1 3.49Å; L437-L544 VanDerWaalsContact CD2-CD1 3.49Å; I495-L544 HydrophobicContact CD1-CD1 4.48Å; I495-L544 HydrophobicContact CD1-CG 4.38Å; I495-L544 HydrophobicContact CG2-CD2 4.38Å; V498-L544 HydrophobicContact CG1-CD2 4.32Å; F499-L544 HydrophobicContact CD1-CD2 4.34Å; F499-L544 HydrophobicContact CE1-CD2 3.67Å; F499-L544 HydrophobicContact CZ-CD2 3.77Å; L519-L544 HydrophobicContact CD1-CD1 4.17Å; A540-L544 VanDerWaalsContact O-CG 3.31Å; A540-L544 WeakPolarHBondContact O-CG 3.49Å; A540-L544 PolarHBondContact O-N 2.99Å; F541-L544 PolarHBondContact O-N 2.93Å; L544-H547 PolarHBondContact O-N 3.21Å; L544-N548 PolarHBondContact O-N 2.97Å; L544-N548 VanDerWaalsContact O-N 3.15Å; L544-L554 HydrophobicContact CB-CD2 3.66Å
545L78.8Confident78Confident14 Ų1432.4 Ų32.47%0.07318%0.177CC..Hα-helixtrans-61-43.7175.4-76.8172.1000112.3F541 Q542 H547 N548 Y551 L554 L638F541-L545 HydrophobicContact CD1-CD1 3.79Å; F541-L545 HydrophobicContact CD1-CG 4.48Å; F541-L545 HydrophobicContact CE1-CD1 3.38Å; F541-L545 HydrophobicContact CE1-CG 4.16Å; F541-L545 HydrophobicContact CZ-CD1 3.82Å; F541-L545 HydrophobicContact CZ-CD2 4.38Å; F541-L545 HydrophobicContact CZ-CG 4.18Å; F541-L545 WeakPolarHBondContact O-CG 3.32Å; F541-L545 PolarHBondContact O-N 3.42Å; Q542-L545 WeakPolarHBondContact O-CB 3.06Å; Q542-L545 PolarHBondContact O-N 3.38Å; L545-H547 PolarHBondContact O-N 2.78Å; L545-N548 CarbonylContact O-C 3.51Å; L545-N548 VanDerWaalsContact O-C 3.27Å; L545-N548 PolarHBondContact O-N 3.05Å; L545-N548 VanDerWaalsContact O-N 3.09Å; L545-Y551 HydrophobicContact CD2-CD1 4.23Å; L545-L554 HydrophobicContact CD2-CD2 3.76Å; L545-L554 HydrophobicContact CD2-CG 4.29Å; L545-L554 HydrophobicContact CG-CD2 3.83Å; L545-L638 HydrophobicContact CD1-CD1 3.9Å
546S77.5Confident77.8Confident85 Ų8532.4 Ų32.459%0.59418%0.177SC*.Hα-helixtrans-64.5-26.7-178.959.80000113.6Q542 N543Q542-S546 PolarHBondContact O-N 3.21Å; Q542-S546 PolarHBondContact O-OG 3.28Å; N543-S546 PolarHBondContact O-N 2.85Å; N543-S546 PolarHBondContact O-OG 3.48Å
547H74.7Confident77.5Confident114 Ų11431.9 Ų31.953%0.52818%0.175SC..Hα-helixtrans-88.7-15.3176-7186.2000113.3F499 N543 L544 L545F499-H547 HydrophobicContact CE1-CB 3.76Å; F499-H547 HydrophobicContact CE2-CB 4.31Å; F499-H547 AromaticContact CE2-CG 3.88Å; F499-H547 AromaticContact CE2-ND1 3.81Å; F499-H547 HydrophobicContact CZ-CB 3.44Å; F499-H547 VanDerWaalsContact CZ-CB 3.44Å; F499-H547 AromaticContact CZ-CG 3.47Å; F499-H547 VanDerWaalsContact CZ-CG 3.47Å; F499-H547 AromaticContact CZ-ND1 3.6Å; N543-H547 PolarHBondContact O-N 3.47Å; N543-H547 PolarHBondContact O-ND1 2.97Å; N543-H547 PolarHBondContact OD1-CE1 2.93Å; N543-H547 PolarHBondContact OD1-ND1 3.38Å; N543-H547 VanDerWaalsContact OD1-ND1 3.09Å; L544-H547 PolarHBondContact O-N 3.21Å; L545-H547 PolarHBondContact O-N 2.78Å
548N67.4Low77.3Confident7 Ų731.7 Ų31.74%0.03717%0.174CC..  trans-131.785.2-179.8-169.54.4000112.1F507 L544 L545 A550F507-N548 HydrophobicContact CD1-CB 3.75Å; F507-N548 WeakPolarHBondContact CD1-ND2 3.47Å; F507-N548 HydrophobicContact CE1-CB 4.22Å; L544-N548 PolarHBondContact O-N 2.97Å; L544-N548 VanDerWaalsContact O-N 3.15Å; L545-N548 CarbonylContact O-C 3.51Å; L545-N548 VanDerWaalsContact O-C 3.27Å; L545-N548 PolarHBondContact O-N 3.05Å; L545-N548 VanDerWaalsContact O-N 3.09Å; N548-A550 PolarHBondContact O-N 3.02Å; N548-A550 VanDerWaalsContact O-N 3.13Å; N548-A550 WeakPolarHBondContact OD1-CB 3.37Å; N548-A550 PolarHBondContact OD1-N 3.48Å
549P55.4Low77.4Confident91 Ų9131.7 Ų31.759%0.59117%0.174SC*.  trans-68.6-8.8179.3-14.127.9000113.7Y551P549-Y551 WeakPolarHBondContact O-CD2 3.07Å; P549-Y551 WeakPolarHBondContact O-CE2 3.44Å; P549-Y551 PolarHBondContact O-N 3.2Å
550A55.8Low77.3Confident40 Ų4031.8 Ų31.833%0.33118%0.177SC..  trans-75.674.7172.100000109.2N548 S552N548-A550 PolarHBondContact O-N 3.02Å; N548-A550 VanDerWaalsContact O-N 3.13Å; N548-A550 WeakPolarHBondContact OD1-CB 3.37Å; N548-A550 PolarHBondContact OD1-N 3.48Å; A550-S552 PolarHBondContact O-N 2.66Å
551Y53Low77.4Confident70 Ų7036.5 Ų36.528%0.27520%0.195SC..G310 helixtrans-47.9-26.5-173.4-64.6-77.8000115.2L545 P549 S553 S635L545-Y551 HydrophobicContact CD2-CD1 4.23Å; P549-Y551 WeakPolarHBondContact O-CD2 3.07Å; P549-Y551 WeakPolarHBondContact O-CE2 3.44Å; P549-Y551 PolarHBondContact O-N 3.2Å; Y551-S553 VanDerWaalsContact C-N 3.26Å; Y551-S553 PolarHBondContact O-N 2.91Å; Y551-S553 VanDerWaalsContact O-N 3.17Å; Y551-S635 WeakPolarHBondContact O-CB 3.43Å; Y551-S635 PolarHBondContact O-OG 2.96Å
552S58.9Low77.7Confident50 Ų5036.5 Ų36.535%0.3520%0.195SC..G310 helixtrans-70.3-10.1-168.953.80000116A550 Y555A550-S552 PolarHBondContact O-N 2.66Å; S552-Y555 WeakPolarHBondContact O-CE2 3.39Å; S552-Y555 PolarHBondContact O-OH 3.22Å
553S69.5Low78.2Confident6 Ų638.2 Ų38.24%0.04220%0.201CC..G310 helixtrans-110.9-8.6-176.960.10000115.5S515 T516 L517 Y551S515-S553 WeakPolarHBondContact O-CB 3.2Å; T516-S553 CarbonylContact C-O 3.58Å; T516-S553 WeakPolarHBondContact CA-O 3.24Å; L517-S553 PolarHBondContact N-O 3.46Å; Y551-S553 VanDerWaalsContact C-N 3.26Å; Y551-S553 PolarHBondContact O-N 2.91Å; Y551-S553 VanDerWaalsContact O-N 3.17Å
554L78.4Confident78.8Confident4 Ų435.8 Ų35.82%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-112.8125.9-177.1172.757.3000111.2L517 F541 L544 L545 S635L517-L554 HydrophobicContact CB-CD1 4.18Å; L517-L554 HydrophobicContact CD2-CD1 3.79Å; L517-L554 HydrophobicContact CG-CD1 3.81Å; L517-L554 WeakPolarHBondContact O-CA 3.22Å; F541-L554 HydrophobicContact CD2-CD1 4.11Å; F541-L554 HydrophobicContact CD2-CD2 4.29Å; F541-L554 HydrophobicContact CD2-CG 4.15Å; F541-L554 HydrophobicContact CE2-CD1 3.86Å; F541-L554 HydrophobicContact CE2-CD2 4.07Å; F541-L554 HydrophobicContact CE2-CG 3.59Å; F541-L554 HydrophobicContact CZ-CG 4.41Å; L544-L554 HydrophobicContact CB-CD2 3.66Å; L545-L554 HydrophobicContact CD2-CD2 3.76Å; L545-L554 HydrophobicContact CD2-CG 4.29Å; L545-L554 HydrophobicContact CG-CD2 3.83Å; L554-S635 WeakPolarHBondContact O-CB 3.32Å; L554-S635 PolarHBondContact O-OG 3.04Å
555Y80.8Confident79.4Confident80 Ų8037.6 Ų37.631%0.31420%0.195SC..EExtended strand (participates in β ladder)trans-130.5131.4-176.6-60.7-92000111.9T516 L517 L519 S552 F557T516-Y555 HydrophobicContact CG2-CD2 3.45Å; T516-Y555 VanDerWaalsContact CG2-CD2 3.45Å; T516-Y555 HydrophobicContact CG2-CE2 3.55Å; L517-Y555 PolarHBondContact O-N 3.49Å; L519-Y555 PolarHBondContact N-O 3.14Å; S552-Y555 WeakPolarHBondContact O-CE2 3.39Å; S552-Y555 PolarHBondContact O-OH 3.22Å; Y555-F557 PolarHBondContact O-N 3.1Å
556L87Confident80.2Confident0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-86.494.6167.8175.960.9000108.8L519 F537 F541 L632 N634L519-L556 HydrophobicContact CB-CD1 4.45Å; L519-L556 HydrophobicContact CD2-CD1 3.56Å; F537-L556 HydrophobicContact CD2-CD1 4Å; F537-L556 HydrophobicContact CE2-CD1 4.11Å; F537-L556 HydrophobicContact CE2-CD2 4.45Å; F541-L556 HydrophobicContact CD1-CB 4.16Å; F541-L556 HydrophobicContact CD1-CD2 4.29Å; F541-L556 HydrophobicContact CD2-CB 3.93Å; F541-L556 HydrophobicContact CE1-CB 3.88Å; F541-L556 HydrophobicContact CE2-CB 3.65Å; F541-L556 HydrophobicContact CG-CB 4.18Å; F541-L556 HydrophobicContact CZ-CB 3.64Å; L556-L632 HydrophobicContact CD2-CB 3.85Å; L556-N634 VanDerWaalsContact CA-OD1 3.32Å; L556-N634 WeakPolarHBondContact CA-OD1 3.33Å; L556-N634 PolarHBondContact N-OD1 3.03Å; L556-N634 PolarHBondContact O-ND2 3.33Å; L556-N634 PolarHBondContact O-OD1 3.49Å
557F86.7Confident81.2Confident13 Ų1332.9 Ų32.96%0.05716%0.163CC..EExtended strand (participates in β ladder)trans-67.6-46.6-174.9-172-112.7000112.5I418 S421 L422 V425 I518 L519 I520 Y555 N677I418-F557 HydrophobicContact CG1-CD1 4.49Å; I418-F557 HydrophobicContact CG1-CE1 4.28Å; S421-F557 WeakPolarHBondContact OG-CZ 3.42Å; L422-F557 HydrophobicContact CB-CE1 4.01Å; L422-F557 HydrophobicContact CB-CZ 4.18Å; V425-F557 HydrophobicContact CB-CE2 4.46Å; V425-F557 HydrophobicContact CG2-CE2 3.91Å; V425-F557 HydrophobicContact CG2-CZ 4.49Å; I518-F557 HydrophobicContact CG2-CB 3.55Å; I518-F557 HydrophobicContact CG2-CD2 4.45Å; I518-F557 HydrophobicContact CG2-CG 4.09Å; L519-F557 VanDerWaalsContact O-CB 3.28Å; L519-F557 WeakPolarHBondContact O-CB 3.47Å; L519-F557 PolarHBondContact O-N 2.74Å; I520-F557 HydrophobicContact CD1-CD1 4.34Å; I520-F557 HydrophobicContact CG1-CD1 4.41Å; Y555-F557 PolarHBondContact O-N 3.1Å; F557-N677 WeakPolarHBondContact O-CB 3.39Å
558S88.8Confident82.3Confident0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-170.9148.8-174.9-156.40000112.2S521 Y676 N677S521-S558 PolarHBondContact N-O 3.02Å; S558-Y676 VanDerWaalsContact OG-CA 3.3Å; S558-Y676 WeakPolarHBondContact OG-CA 3.45Å; S558-Y676 WeakPolarHBondContact OG-CD1 3.43Å; S558-N677 PolarHBondContact OG-N 3.19Å
559P92Very high83.7Confident0 Ų027.1 Ų27.10%014%0.136CC..  cis-72.8159.2-7.933.3-35.6000112.4P523 F537 L632 W674 L675 Y676P523-P559 HydrophobicContact CG-CG 4.38Å; F537-P559 HydrophobicContact CE1-CG 4.03Å; F537-P559 HydrophobicContact CE2-CG 3.84Å; F537-P559 HydrophobicContact CZ-CG 3.43Å; F537-P559 VanDerWaalsContact CZ-CG 3.43Å; P559-L632 HydrophobicContact CG-CD1 4.44Å; P559-W674 HydrophobicContact CB-CB 4.03Å; P559-W674 HydrophobicContact CB-CE3 4.09Å; P559-W674 HydrophobicContact CG-CD2 4.34Å; P559-W674 HydrophobicContact CG-CE3 3.7Å; P559-W674 HydrophobicContact CG-CZ3 4.28Å; P559-L675 WeakPolarHBondContact CA-O 3.42Å; P559-L675 WeakPolarHBondContact CB-O 3.39Å; P559-Y676 HydrophobicContact CB-CE1 4.21Å; P559-Y676 HydrophobicContact CB-CE2 4.39Å
560V89Confident85.6Confident24 Ų2424.2 Ų24.215%0.14512%0.115CC..  trans-115.1-11.5-174.1-63.60000114L632 L675 N677V560-L632 WeakPolarHBondContact O-CA 3.12Å; V560-L632 WeakPolarHBondContact O-CB 3.41Å; V560-L632 PolarHBondContact O-N 2.87Å; V560-L675 HydrophobicContact CG2-CB 4.22Å; V560-L675 HydrophobicContact CG2-CD2 3.96Å; V560-L675 HydrophobicContact CG2-CG 3.83Å; V560-L675 PolarHBondContact N-O 2.95Å; V560-N677 HydrophobicContact CG1-CB 4.41Å
561R91.4Very high87.6Confident99 Ų9922.3 Ų22.337%0.37410%0.099SC..EExtended strand (participates in β ladder)trans-148.6153.2171.5-57.7-174.2-178.2174.50.1111.2M630 V631 W674 L675 W689R561-M630 VanDerWaalsContact CA-O 3.29Å; R561-M630 WeakPolarHBondContact CA-O 3.49Å; R561-V631 HydrophobicContact CG-CG2 4.5Å; R561-W674 WeakPolarHBondContact O-CA 3.21Å; R561-L675 HydrophobicContact CB-CB 3.76Å; R561-L675 HydrophobicContact CB-CD2 4.21Å; R561-L675 HydrophobicContact CG-CB 4.33Å; R561-L675 HydrophobicContact CG-CD2 3.89Å; R561-L675 PolarHBondContact O-N 3.15Å; R561-W689 HydrophobicContact CB-CH2 3.82Å; R561-W689 HydrophobicContact CB-CZ3 4.23Å
562L94Very high89.5Confident0 Ų024.4 Ų24.40%011%0.11CC..EExtended strand (participates in β ladder)trans-122.6136.3173.3169.162.1000109.2W532 L535 I564 F628 E629 M630 C672 W674W532-L562 HydrophobicContact CB-CD2 4.49Å; L535-L562 HydrophobicContact CD1-CD2 4.25Å; L535-L562 HydrophobicContact CD2-CD2 4.06Å; L535-L562 HydrophobicContact CG-CD2 4.37Å; L562-I564 HydrophobicContact CD1-CG1 4.36Å; L562-I564 HydrophobicContact CG-CG1 4.48Å; L562-F628 HydrophobicContact CD2-CE1 4.11Å; L562-F628 HydrophobicContact CG-CE1 4.49Å; L562-E629 CarbonylContact O-C 3.58Å; L562-E629 WeakPolarHBondContact O-CA 3.46Å; L562-M630 HydrophobicContact CB-CB 4.4Å; L562-M630 PolarHBondContact N-O 2.87Å; L562-M630 PolarHBondContact O-N 2.79Å; L562-C672 HydrophobicContact CD1-CB 3.67Å; L562-W674 HydrophobicContact CB-CE3 3.97Å; L562-W674 HydrophobicContact CB-CH2 4.43Å; L562-W674 HydrophobicContact CB-CZ3 3.79Å; L562-W674 HydrophobicContact CD1-CD2 4.03Å; L562-W674 HydrophobicContact CD1-CE3 3.98Å; L562-W674 HydrophobicContact CD1-CH2 3.83Å; L562-W674 HydrophobicContact CD1-CZ2 3.85Å; L562-W674 HydrophobicContact CD1-CZ3 3.89Å; L562-W674 HydrophobicContact CD2-CH2 3.96Å; L562-W674 HydrophobicContact CD2-CZ3 4.11Å; L562-W674 HydrophobicContact CG-CE3 4.49Å; L562-W674 HydrophobicContact CG-CH2 4.3Å; L562-W674 HydrophobicContact CG-CZ3 4.14Å
563R94.9Very high91.1Very high55 Ų5524.2 Ų24.221%0.20810%0.102CC..EExtended strand (participates in β ladder)trans-125.1142.7166.7-74.4176.3177.4170.41.5109.9Y565 V626 F628 E629 C672 E673 W689R563-Y565 HydrophobicContact CB-CD2 4.45Å; R563-Y565 HydrophobicContact CB-CE2 3.92Å; R563-V626 HydrophobicContact CB-CG1 4.26Å; R563-V626 HydrophobicContact CG-CG1 4.2Å; R563-F628 WeakPolarHBondContact CA-O 3.35Å; R563-E629 HydrophobicContact CG-CB 4.29Å; R563-E629 HydrophobicContact CG-CG 3.96Å; R563-E629 IonicContact CZ-OE1 3.5Å; R563-E629 IonicContact NE-OE1 2.63Å; R563-E629 PolarHBondContact NE-OE1 3.15Å; R563-E629 IonicContact NE-OE2 2.65Å; R563-E629 IonicContact NH2-OE1 2.76Å; R563-E629 PolarHBondContact NH2-OE1 3.49Å; R563-C672 CarbonylContact O-C 3.27Å; R563-C672 WeakPolarHBondContact O-CA 3.49Å; R563-C672 WeakPolarHBondContact O-CB 3.24Å; R563-E673 PolarHBondContact N-O 2.98Å; R563-E673 PolarHBondContact O-N 3.23Å; R563-W689 HydrophobicContact CB-CZ3 4.16Å; R563-W689 VanDerWaalsContact CD-CH2 3.47Å; R563-W689 HydrophobicContact CG-CH2 3.74Å; R563-W689 HydrophobicContact CG-CZ3 3.69Å; R563-W689 VanDerWaalsContact NE-CH2 3.29Å
564I96.2Very high92.2Very high0 Ų023.9 Ų23.90%010%0.1CC..EExtended strand (participates in β ladder)trans-118.9128.7171.3-57.8169.8000108.3W532 L562 V626 I627 F628 L670 W671 C672 M739 L748W532-I564 HydrophobicContact CB-CD1 3.69Å; W532-I564 HydrophobicContact CB-CG1 4.3Å; W532-I564 HydrophobicContact CD2-CD1 3.72Å; W532-I564 HydrophobicContact CD2-CG1 4.42Å; W532-I564 HydrophobicContact CE3-CB 4.5Å; W532-I564 HydrophobicContact CE3-CD1 3.78Å; W532-I564 HydrophobicContact CE3-CG1 4Å; W532-I564 HydrophobicContact CE3-CG2 3.7Å; W532-I564 HydrophobicContact CG-CD1 3.71Å; W532-I564 HydrophobicContact CH2-CG2 4.47Å; W532-I564 HydrophobicContact CZ3-CG2 3.65Å; L562-I564 HydrophobicContact CD1-CG1 4.36Å; L562-I564 HydrophobicContact CG-CG1 4.48Å; I564-V626 CarbonylContact O-C 3.59Å; I564-V626 WeakPolarHBondContact O-CA 3.37Å; I564-I627 HydrophobicContact CG2-CD1 4.48Å; I564-I627 HydrophobicContact CG2-CG1 4.29Å; I564-I627 PolarHBondContact O-N 3.48Å; I564-F628 HydrophobicContact CB-CB 4.14Å; I564-F628 HydrophobicContact CD1-CB 4.33Å; I564-F628 HydrophobicContact CD1-CD1 3.71Å; I564-F628 HydrophobicContact CD1-CE1 4.36Å; I564-F628 HydrophobicContact CD1-CG 4.25Å; I564-F628 HydrophobicContact CG1-CD1 4.08Å; I564-F628 PolarHBondContact N-O 2.75Å; I564-L670 HydrophobicContact CG2-CD2 4.4Å; I564-W671 WeakPolarHBondContact CA-O 3.49Å; I564-C672 HydrophobicContact CG1-CB 4.23Å; I564-M739 HydrophobicContact CD1-CE 4.49Å; I564-M739 HydrophobicContact CD1-SD 3.38Å; I564-M739 WeakPolarHBondContact CD1-SD 3.37Å; I564-M739 HydrophobicContact CG2-CE 4.25Å; I564-M739 HydrophobicContact CG2-SD 4.24Å; I564-L748 HydrophobicContact CD1-CD2 3.48Å; I564-L748 VanDerWaalsContact CD1-CD2 3.48Å
565Y96.5Very high92.8Very high38 Ų3826.7 Ų26.715%0.14911%0.11CC..EExtended strand (participates in β ladder)trans-102.7153.5179.6-71.8-102.7000110.9R563 A624 C625 V626 L670 W671 E673R563-Y565 HydrophobicContact CB-CD2 4.45Å; R563-Y565 HydrophobicContact CB-CE2 3.92Å; Y565-A624 HydrophobicContact CD1-CB 4.28Å; Y565-C625 CarbonylContact C-O 3.56Å; Y565-C625 VanDerWaalsContact CA-O 3.24Å; Y565-C625 WeakPolarHBondContact CA-O 3.47Å; Y565-V626 HydrophobicContact CD1-CG2 3.9Å; Y565-V626 HydrophobicContact CD2-CG2 4.42Å; Y565-V626 HydrophobicContact CE1-CG2 3.43Å; Y565-V626 VanDerWaalsContact CE1-CG2 3.43Å; Y565-V626 HydrophobicContact CE2-CG2 3.98Å; Y565-V626 HydrophobicContact CG-CG2 4.39Å; Y565-L670 VanDerWaalsContact O-CA 3.27Å; Y565-L670 WeakPolarHBondContact O-CA 3.41Å; Y565-W671 VanDerWaalsContact CB-CE2 3.47Å; Y565-W671 VanDerWaalsContact CB-CZ2 3.41Å; Y565-W671 HydrophobicContact CD1-CH2 4.45Å; Y565-W671 AromaticContact CD1-CZ2 3.95Å; Y565-W671 HydrophobicContact CD1-CZ2 3.95Å; Y565-W671 HydrophobicContact CD2-CZ2 4.27Å; Y565-W671 AromaticContact CD2-NE1 3.8Å; Y565-W671 AromaticContact CG-CE2 3.78Å; Y565-W671 HydrophobicContact CG-CH2 4.23Å; Y565-W671 AromaticContact CG-CZ2 3.63Å; Y565-W671 HydrophobicContact CG-CZ2 3.63Å; Y565-W671 PolarHBondContact N-O 3.34Å; Y565-W671 PolarHBondContact O-N 3.29Å; Y565-E673 HydrophobicContact CD2-CG 3.99Å; Y565-E673 HydrophobicContact CE2-CB 4.27Å; Y565-E673 HydrophobicContact CE2-CG 3.54Å; Y565-E673 WeakPolarHBondContact CE2-OE2 3.3Å; Y565-E673 VanDerWaalsContact CZ-OE2 3.27Å; Y565-E673 PolarHBondContact OH-OE2 3.47Å
566A97.2Very high93.2Very high0 Ų026.7 Ų26.70%011%0.11CC..EExtended strand (participates in β ladder)trans-130.1144.1167.400000109.9A624 C625 I627 L658 I668 A669 L670A566-A624 WeakPolarHBondContact O-CA 3.16Å; A566-C625 PolarHBondContact N-O 3.36Å; A566-C625 PolarHBondContact O-N 3.2Å; A566-I627 HydrophobicContact CB-CD1 4.1Å; A566-I627 HydrophobicContact CB-CG1 4.35Å; A566-I627 HydrophobicContact CB-CG2 3.76Å; A566-L658 HydrophobicContact CB-CD1 4.06Å; A566-I668 HydrophobicContact CB-CG2 3.83Å; A566-A669 WeakPolarHBondContact CA-O 3.4Å; A566-L670 HydrophobicContact CB-CD2 4.33Å
567I97.6Very high93.1Very high0 Ų028.3 Ų28.30%012%0.118CC..EExtended strand (participates in β ladder)trans-141.3140.4173.3-167.6172.2000109.6V569 A620 S622 A624 I668 A669 W671 T699 I705 W707I567-V569 HydrophobicContact CG2-CG2 3.81Å; I567-A620 HydrophobicContact CD1-CB 3.92Å; I567-S622 WeakPolarHBondContact CD1-O 3.37Å; I567-S622 WeakPolarHBondContact CG1-O 3.41Å; I567-A624 HydrophobicContact CB-CB 4.39Å; I567-A624 HydrophobicContact CD1-CB 4.32Å; I567-I668 VanDerWaalsContact O-CA 3.31Å; I567-I668 WeakPolarHBondContact O-CA 3.45Å; I567-I668 WeakPolarHBondContact O-CG2 3.38Å; I567-A669 HydrophobicContact CG2-CB 3.94Å; I567-A669 PolarHBondContact N-O 2.94Å; I567-A669 PolarHBondContact O-N 2.92Å; I567-W671 HydrophobicContact CB-CH2 4.46Å; I567-W671 HydrophobicContact CB-CZ3 4.15Å; I567-W671 HydrophobicContact CG2-CH2 4.39Å; I567-W671 HydrophobicContact CG2-CZ3 3.72Å; I567-T699 HydrophobicContact CD1-CG2 4.05Å; I567-I705 HydrophobicContact CD1-CD1 3.99Å; I567-I705 HydrophobicContact CG2-CD1 4.16Å; I567-W707 HydrophobicContact CG2-CH2 4.29Å
568L97.3Very high93Very high0 Ų031.2 Ų31.20%013%0.128CC..EExtended strand (participates in β ladder)trans-74.8133.7172.7-62.9-174.4000110.1R621 S622 L658 A660 V665 I668 F719 I735L568-R621 HydrophobicContact CB-CB 4.15Å; L568-R621 PolarHBondContact O-N 2.87Å; L568-S622 PolarHBondContact N-OG 2.97Å; L568-L658 HydrophobicContact CD1-CB 3.84Å; L568-L658 HydrophobicContact CD2-CB 4.07Å; L568-L658 HydrophobicContact CD2-CD1 3.83Å; L568-L658 HydrophobicContact CG-CB 3.74Å; L568-L658 HydrophobicContact CG-CD1 4.13Å; L568-L658 HydrophobicContact CG-CG 4.41Å; L568-A660 HydrophobicContact CD1-CB 3.77Å; L568-V665 HydrophobicContact CB-CG2 3.83Å; L568-V665 HydrophobicContact CG-CG2 4.5Å; L568-I668 HydrophobicContact CD2-CD1 4.11Å; L568-I668 HydrophobicContact CD2-CG1 3.78Å; L568-F719 HydrophobicContact CD2-CZ 4.3Å; L568-I735 HydrophobicContact CD1-CD1 4.41Å; L568-I735 HydrophobicContact CD2-CD1 3.72Å
569V97.4Very high93Very high0 Ų032 Ų320%013%0.134CC..EExtended strand (participates in β ladder)trans-130.6138.2-175.3-173.10000110.8I567 F571 N618 V665 N666 G667 A669 I705I567-V569 HydrophobicContact CG2-CG2 3.81Å; V569-F571 HydrophobicContact CB-CD2 4.29Å; V569-F571 HydrophobicContact CB-CE1 4.17Å; V569-F571 HydrophobicContact CB-CE2 3.84Å; V569-F571 HydrophobicContact CB-CZ 3.77Å; V569-F571 HydrophobicContact CG1-CD1 3.73Å; V569-F571 HydrophobicContact CG1-CD2 4.14Å; V569-F571 HydrophobicContact CG1-CE1 3.52Å; V569-F571 HydrophobicContact CG1-CE2 3.98Å; V569-F571 HydrophobicContact CG1-CG 4.03Å; V569-F571 HydrophobicContact CG1-CZ 3.67Å; V569-F571 HydrophobicContact CG2-CZ 4.25Å; V569-N618 HydrophobicContact CG1-CB 3.62Å; V569-V665 WeakPolarHBondContact O-CG2 3.4Å; V569-N666 PolarHBondContact O-N 3.47Å; V569-N666 VanDerWaalsContact O-N 3.08Å; V569-G667 PolarHBondContact N-O 3.04Å; V569-G667 PolarHBondContact O-N 3.3Å; V569-G667 VanDerWaalsContact O-N 3.1Å; V569-A669 HydrophobicContact CG2-CB 3.69Å; V569-I705 HydrophobicContact CG2-CD1 3.93Å
570D96.1Very high92.9Very high29 Ų2933.9 Ų33.916%0.15515%0.146CC..EExtended strand (participates in β ladder)trans-96.497.8163.4-179.90.2000107.6N618 T619 R621 S664 N666D570-N618 CarbonylContact O-C 3.52Å; D570-N618 VanDerWaalsContact O-CA 3.26Å; D570-N618 WeakPolarHBondContact O-CA 3.5Å; D570-T619 PolarHBondContact N-O 3.5Å; D570-T619 PolarHBondContact O-N 3.09Å; D570-R621 HydrophobicContact CB-CG 3.7Å; D570-R621 IonicContact OD2-CZ 3.45Å; D570-R621 IonicContact OD2-NE 2.8Å; D570-R621 PolarHBondContact OD2-NE 2.93Å; D570-R621 IonicContact OD2-NH2 3.36Å; D570-R621 PolarHBondContact OD2-NH2 3.47Å; D570-S664 VanDerWaalsContact OD2-CB 3.29Å; D570-S664 WeakPolarHBondContact OD2-CB 3.33Å; D570-S664 PolarHBondContact OD2-OG 2.76Å; D570-N666 PolarHBondContact OD1-ND2 3.19Å
571F96.4Very high92.9Very high0 Ų032.9 Ų32.90%014%0.14CC..EExtended strand (participates in β ladder)trans-79.4136.1172.6-62-72000109.3V569 L574 W575 L613 N618 N666 A669 V716 L718V569-F571 HydrophobicContact CB-CD2 4.29Å; V569-F571 HydrophobicContact CB-CE1 4.17Å; V569-F571 HydrophobicContact CB-CE2 3.84Å; V569-F571 HydrophobicContact CB-CZ 3.77Å; V569-F571 HydrophobicContact CG1-CD1 3.73Å; V569-F571 HydrophobicContact CG1-CD2 4.14Å; V569-F571 HydrophobicContact CG1-CE1 3.52Å; V569-F571 HydrophobicContact CG1-CE2 3.98Å; V569-F571 HydrophobicContact CG1-CG 4.03Å; V569-F571 HydrophobicContact CG1-CZ 3.67Å; V569-F571 HydrophobicContact CG2-CZ 4.25Å; F571-L574 HydrophobicContact CB-CB 3.97Å; F571-L574 HydrophobicContact CD1-CB 4.32Å; F571-L574 HydrophobicContact CD1-CD2 4.08Å; F571-L574 HydrophobicContact CE1-CD2 4.12Å; F571-L574 HydrophobicContact CG-CB 4.13Å; F571-L574 HydrophobicContact CG-CD2 4.31Å; F571-L574 HydrophobicContact CZ-CD2 4.35Å; F571-W575 PolarHBondContact O-NE1 3.31Å; F571-L613 HydrophobicContact CD1-CD2 4.39Å; F571-L613 HydrophobicContact CE1-CD1 4.22Å; F571-L613 HydrophobicContact CE1-CD2 3.47Å; F571-L613 VanDerWaalsContact CE1-CD2 3.47Å; F571-L613 HydrophobicContact CE1-CG 4.43Å; F571-L613 HydrophobicContact CZ-CD1 4.29Å; F571-L613 HydrophobicContact CZ-CD2 3.92Å; F571-N618 HydrophobicContact CD1-CB 3.88Å; F571-N618 HydrophobicContact CE1-CB 4.25Å; F571-N666 WeakPolarHBondContact CB-OD1 3.28Å; F571-N666 WeakPolarHBondContact CD2-OD1 3.28Å; F571-N666 PolarHBondContact N-ND2 2.92Å; F571-N666 PolarHBondContact N-OD1 2.81Å; F571-N666 PolarHBondContact O-ND2 3.12Å; F571-N666 PolarHBondContact O-OD1 2.76Å; F571-A669 HydrophobicContact CZ-CB 4.36Å; F571-V716 HydrophobicContact CE2-CG1 3.77Å; F571-V716 HydrophobicContact CZ-CG1 3.91Å; F571-L718 HydrophobicContact CD2-CD2 3.97Å; F571-L718 HydrophobicContact CE2-CD2 4.18Å
572K94.5Very high92.8Very high114 Ų11428.9 Ų28.950%0.49613%0.13SC..SBendtrans-70.4-41.3179.8-167176-179-160.80112.2P617K572-P617 HydrophobicContact CB-CB 4.07Å; K572-P617 WeakPolarHBondContact CB-O 3.29Å; K572-P617 HydrophobicContact CD-CB 4.05Å; K572-P617 PolarHBondContact N-O 2.61Å
573Y92Very high92.6Very high46 Ų4634.4 Ų34.418%0.1815%0.154CC..SBendtrans-131.1-36.8-171.9-53.2-64000114.5W326 W575 R576W326-Y573 HydrophobicContact CB-CD2 4.45Å; W326-Y573 HydrophobicContact CB-CE2 3.93Å; W326-Y573 AromaticContact CD1-CE2 3.91Å; W326-Y573 HydrophobicContact CD2-CD1 4.47Å; W326-Y573 AromaticContact CD2-CD2 3.31Å; W326-Y573 HydrophobicContact CD2-CD2 3.31Å; W326-Y573 AromaticContact CD2-CE2 3.7Å; W326-Y573 HydrophobicContact CD2-CE2 3.7Å; W326-Y573 AromaticContact CD2-CG 3.75Å; W326-Y573 HydrophobicContact CD2-CG 3.75Å; W326-Y573 AromaticContact CE2-CD2 3.58Å; W326-Y573 HydrophobicContact CE3-CD1 4.02Å; W326-Y573 AromaticContact CE3-CD2 3.57Å; W326-Y573 HydrophobicContact CE3-CD2 3.57Å; W326-Y573 HydrophobicContact CE3-CE2 4.21Å; W326-Y573 AromaticContact CE3-CG 3.45Å; W326-Y573 HydrophobicContact CE3-CG 3.45Å; W326-Y573 VanDerWaalsContact CE3-CG 3.45Å; W326-Y573 AromaticContact CG-CD2 3.72Å; W326-Y573 HydrophobicContact CG-CD2 3.72Å; W326-Y573 AromaticContact CG-CE2 3.55Å; W326-Y573 HydrophobicContact CG-CE2 3.55Å; W326-Y573 HydrophobicContact CG-CG 4.43Å; W326-Y573 HydrophobicContact CH2-CD2 4.33Å; W326-Y573 HydrophobicContact CH2-CG 4.27Å; W326-Y573 HydrophobicContact CZ2-CD2 4.08Å; W326-Y573 HydrophobicContact CZ2-CG 4.48Å; W326-Y573 HydrophobicContact CZ3-CD2 4.09Å; W326-Y573 AromaticContact CZ3-CG 3.76Å; W326-Y573 HydrophobicContact CZ3-CG 3.76Å; Y573-W575 PolarHBondContact O-N 3.18Å; Y573-R576 VanDerWaalsContact O-CB 3.25Å; Y573-R576 WeakPolarHBondContact O-CB 3.24Å; Y573-R576 VanDerWaalsContact O-CG 3.26Å; Y573-R576 WeakPolarHBondContact O-CG 3.31Å; Y573-R576 PolarHBondContact O-N 2.73Å
574L93.1Very high92Very high0 Ų037 Ų370%018%0.177CC..G310 helixtrans-51.1-39.4-171.4-17961.1000113.7F571 R576 I577 H611 L613 Y616 V716 L718F571-L574 HydrophobicContact CB-CB 3.97Å; F571-L574 HydrophobicContact CD1-CB 4.32Å; F571-L574 HydrophobicContact CD1-CD2 4.08Å; F571-L574 HydrophobicContact CE1-CD2 4.12Å; F571-L574 HydrophobicContact CG-CB 4.13Å; F571-L574 HydrophobicContact CG-CD2 4.31Å; F571-L574 HydrophobicContact CZ-CD2 4.35Å; L574-R576 PolarHBondContact O-N 2.87Å; L574-I577 HydrophobicContact CD1-CD1 3.84Å; L574-I577 VanDerWaalsContact O-CG1 3.31Å; L574-I577 WeakPolarHBondContact O-CG1 3.42Å; L574-I577 WeakPolarHBondContact O-CG2 3.34Å; L574-I577 PolarHBondContact O-N 2.74Å; L574-H611 HydrophobicContact CD2-CB 4.29Å; L574-L613 HydrophobicContact CD2-CD2 3.78Å; L574-Y616 HydrophobicContact CB-CD1 3.72Å; L574-Y616 HydrophobicContact CB-CE1 4.26Å; L574-Y616 HydrophobicContact CB-CG 4.16Å; L574-Y616 HydrophobicContact CD1-CD1 3.84Å; L574-Y616 HydrophobicContact CD1-CE1 3.53Å; L574-Y616 HydrophobicContact CD1-CE2 4.42Å; L574-Y616 HydrophobicContact CD1-CG 4.36Å; L574-Y616 HydrophobicContact CD2-CD1 4.47Å; L574-Y616 HydrophobicContact CD2-CG 4.28Å; L574-Y616 HydrophobicContact CG-CD1 4.2Å; L574-Y616 HydrophobicContact CG-CE1 4.39Å; L574-V716 HydrophobicContact CD2-CG1 4.15Å; L574-V716 HydrophobicContact CD2-CG2 4.36Å; L574-L718 HydrophobicContact CG-CD1 4.5Å; L574-L718 HydrophobicContact CG-CD2 4.32Å
575W90.5Very high91.7Very high62 Ų6237.3 Ų37.324%0.23518%0.178CC..G310 helixtrans-60.7-18.5179.767.7-93.3000114.6F571 Y573 I577 R578 S579 N666 L718F571-W575 PolarHBondContact O-NE1 3.31Å; Y573-W575 PolarHBondContact O-N 3.18Å; W575-I577 VanDerWaalsContact C-N 3.25Å; W575-I577 PolarHBondContact O-N 3.31Å; W575-R578 PolarHBondContact O-N 3.32Å; W575-S579 WeakPolarHBondContact CZ3-OG 3.19Å; W575-S579 PolarHBondContact O-N 3.25Å; W575-N666 HydrophobicContact CB-CB 4.13Å; W575-N666 VanDerWaalsContact CD1-CG 3.5Å; W575-N666 HydrophobicContact CG-CB 4.09Å; W575-L718 HydrophobicContact CB-CD2 4.12Å
576R88.6Confident91.5Very high80 Ų8037.5 Ų37.530%0.30218%0.181SC..G310 helixtrans-66.4-27.4-178.7-65.2176.9-173.4-156.52.2112.3H43 Y573 L574 R578 S579H43-R576 HydrophobicContact CB-CB 4.23Å; H43-R576 HydrophobicContact CB-CG 4.49Å; H43-R576 PolarHBondContact CD2-O 3.27Å; Y573-R576 VanDerWaalsContact O-CB 3.25Å; Y573-R576 WeakPolarHBondContact O-CB 3.24Å; Y573-R576 VanDerWaalsContact O-CG 3.26Å; Y573-R576 WeakPolarHBondContact O-CG 3.31Å; Y573-R576 PolarHBondContact O-N 2.73Å; L574-R576 PolarHBondContact O-N 2.87Å; R576-R578 PolarHBondContact O-N 2.69Å; R576-S579 PolarHBondContact O-N 3.33Å; R576-S579 VanDerWaalsContact O-N 3.11Å
577I85.9Confident91.3Very high35 Ų3542.7 Ų42.718%0.17922%0.217CC..G310 helixtrans-61.1-26.4179.277.1-173000112.2D40 L574 W575 L718D40-I577 HydrophobicContact CB-CG2 4.02Å; L574-I577 HydrophobicContact CD1-CD1 3.84Å; L574-I577 VanDerWaalsContact O-CG1 3.31Å; L574-I577 WeakPolarHBondContact O-CG1 3.42Å; L574-I577 WeakPolarHBondContact O-CG2 3.34Å; L574-I577 PolarHBondContact O-N 2.74Å; W575-I577 VanDerWaalsContact C-N 3.25Å; W575-I577 PolarHBondContact O-N 3.31Å; I577-L718 HydrophobicContact CD1-CD1 3.8Å; I577-L718 HydrophobicContact CG1-CD1 3.74Å
578R84.8Confident91.1Very high73 Ų7343.1 Ų43.128%0.27522%0.219SC..G310 helixtrans-110.37.9178-62.8-51.8-170.2167.41.5113.8W575 R576 S601 D605 E609 L718W575-R578 PolarHBondContact O-N 3.32Å; R576-R578 PolarHBondContact O-N 2.69Å; R578-S601 PolarHBondContact NH1-OG 3.07Å; R578-D605 IonicContact CZ-OD2 3.84Å; R578-D605 IonicContact NH1-OD2 2.75Å; R578-D605 PolarHBondContact NH1-OD2 2.96Å; R578-D605 IonicContact NH2-OD2 3.3Å; R578-D605 PolarHBondContact NH2-OD2 3.29Å; R578-E609 IonicContact CZ-OE1 2.86Å; R578-E609 IonicContact NE-OE1 3.86Å; R578-E609 PolarHBondContact NE-OE1 3.29Å; R578-E609 IonicContact NE-OE2 3.02Å; R578-E609 PolarHBondContact NE-OE2 2.78Å; R578-E609 IonicContact NH2-OE1 2.8Å; R578-E609 PolarHBondContact NH2-OE1 3.01Å; R578-E609 IonicContact NH2-OE2 3.93Å; R578-L718 HydrophobicContact CB-CB 4.43Å; R578-L718 HydrophobicContact CB-CD1 4.17Å; R578-L718 HydrophobicContact CG-CB 4.34Å; R578-L718 HydrophobicContact CG-CD1 3.69Å
579S87.6Confident91.1Very high18 Ų1843.8 Ų43.813%0.12622%0.222CC..  trans-89135.5-177.6-171.90000111.6H43 W575 R576H43-S579 PolarHBondContact NE2-O 2.96Å; W575-S579 WeakPolarHBondContact CZ3-OG 3.19Å; W575-S579 PolarHBondContact O-N 3.25Å; R576-S579 PolarHBondContact O-N 3.33Å; R576-S579 VanDerWaalsContact O-N 3.11Å
580P89.8Confident90.9Very high38 Ų3843.8 Ų43.825%0.24722%0.222CC..  trans-60.9150.2167.827.3-35.1000110H43 D594 L598 S721H43-P580 PolarHBondContact CE1-O 3.3Å; H43-P580 VanDerWaalsContact CE1-O 3.23Å; H43-P580 PolarHBondContact NE2-O 3.45Å; P580-D594 VanDerWaalsContact CA-OD1 3.29Å; P580-D594 WeakPolarHBondContact CA-OD1 3.2Å; P580-D594 HydrophobicContact CB-CB 4.17Å; P580-L598 HydrophobicContact CB-CD1 4.15Å; P580-S721 WeakPolarHBondContact CD-OG 3.32Å; P580-S721 WeakPolarHBondContact CG-OG 3.5Å
581V89.6Confident90.9Very high3 Ų347.6 Ų47.62%0.01824%0.235CC..  trans-90.6-41.4179-172.20000110.6L42 F583 T584 C585 L590 D594L42-V581 HydrophobicContact CB-CG1 4.16Å; L42-V581 HydrophobicContact CB-CG2 3.67Å; L42-V581 HydrophobicContact CD1-CG2 3.86Å; L42-V581 HydrophobicContact CG-CG2 4.44Å; V581-F583 PolarHBondContact O-N 2.79Å; V581-F583 VanDerWaalsContact O-N 3.11Å; V581-T584 PolarHBondContact O-N 3.25Å; V581-T584 VanDerWaalsContact O-N 3.16Å; V581-T584 PolarHBondContact O-OG1 3.2Å; V581-C585 HydrophobicContact CG1-CB 3.65Å; V581-L590 HydrophobicContact CB-CB 4.5Å; V581-L590 HydrophobicContact CG1-CB 4.44Å; V581-L590 HydrophobicContact CG1-CD1 3.78Å; V581-D594 PolarHBondContact N-OD1 3.38Å; V581-D594 PolarHBondContact N-OD2 2.91Å
582G89.9Confident90.8Very high16 Ų1648.2 Ų48.217%0.16524%0.239CC..THydrogen-bonded Turntrans57.7-113.1-17900000112.4L590 D594G582-L590 PolarHBondContact O-N 3.44Å; G582-D594 WeakPolarHBondContact CA-OD2 3.4Å; G582-D594 PolarHBondContact N-OD2 3.32Å
583F88.1Confident90.7Very high116 Ų11643.1 Ų43.151%0.50922%0.217SC..THydrogen-bonded Turntrans-111.46-178.7-61.2-87.1000113.6V581 F588 D589 R591V581-F583 PolarHBondContact O-N 2.79Å; V581-F583 VanDerWaalsContact O-N 3.11Å; F583-F588 WeakPolarHBondContact CA-O 3.31Å; F583-D589 HydrophobicContact CD1-CB 3.93Å; F583-D589 HydrophobicContact CE1-CB 3.58Å; F583-D589 VanDerWaalsContact CE1-CG 3.5Å; F583-R591 VanDerWaalsContact CZ-CZ 3.48Å; F583-R591 VanDerWaalsContact CZ-NE 3.33Å
584T83.3Confident90.7Very high110 Ų11041.8 Ų41.868%0.67521%0.212SC*.  trans-81.1-18.6-167.160.70000113.6V581 E586V581-T584 PolarHBondContact O-N 3.25Å; V581-T584 VanDerWaalsContact O-N 3.16Å; V581-T584 PolarHBondContact O-OG1 3.2Å; T584-E586 PolarHBondContact O-N 3.38Å
585C90Very high90.7Very high5 Ų548.2 Ų48.23%0.03424%0.243CC..SBendtrans-88.6103.7-177.8-166.60000110.6L42 N48 V581 S587 F588 L590L42-C585 PolarHBondContact O-SG 2.81Å; N48-C585 PolarHBondContact ND2-SG 2.8Å; N48-C585 VanDerWaalsContact ND2-SG 3.44Å; V581-C585 HydrophobicContact CG1-CB 3.65Å; C585-S587 PolarHBondContact O-N 2.78Å; C585-F588 PolarHBondContact O-N 2.67Å; C585-F588 VanDerWaalsContact O-N 3.1Å; C585-L590 HydrophobicContact CB-CD1 3.69Å
586E92.6Very high90.8Very high43 Ų4347.4 Ų47.420%0.20124%0.243CC..THydrogen-bonded Turntrans49.228.8177.9-59.4-59.914600114.6N48 H49 R52 M86 T584 F588N48-E586 HydrophobicContact CB-CG 4.31Å; H49-E586 WeakPolarHBondContact CA-OE1 3.43Å; H49-E586 PolarHBondContact N-OE1 2.96Å; H49-E586 IonicContact ND1-OE1 3.77Å; R52-E586 WeakPolarHBondContact CD-OE2 3.43Å; R52-E586 IonicContact CZ-OE2 2.71Å; R52-E586 IonicContact NE-OE2 2.64Å; R52-E586 PolarHBondContact NE-OE2 3.18Å; R52-E586 IonicContact NH2-OE2 3.88Å; M86-E586 HydrophobicContact CE-CB 4.15Å; M86-E586 HydrophobicContact CE-CG 3.58Å; T584-E586 PolarHBondContact O-N 3.38Å; E586-F588 VanDerWaalsContact C-N 3.3Å; E586-F588 HydrophobicContact CB-CD2 3.94Å; E586-F588 HydrophobicContact CB-CE2 3.91Å; E586-F588 PolarHBondContact O-N 2.89Å
587S91.3Very high90.9Very high109 Ų10944.3 Ų44.376%0.76223%0.233SC*.THydrogen-bonded Turntrans65.619.5179.4-45.70000116.2C585C585-S587 PolarHBondContact O-N 2.78Å
588F95.1Very high91Very high9 Ų945.9 Ų45.94%0.03924%0.241CC..  trans-90.8147.3173.4-61.9-70.4000111.8L82 M85 M86 N89 F117 F583 C585 E586 L590L82-F588 HydrophobicContact CD1-CD2 3.51Å; L82-F588 HydrophobicContact CD1-CE2 4.02Å; L82-F588 HydrophobicContact CD1-CG 4.42Å; M85-F588 HydrophobicContact CB-CD1 4.01Å; M85-F588 HydrophobicContact CB-CE1 3.53Å; M85-F588 HydrophobicContact CB-CE2 4.24Å; M85-F588 HydrophobicContact CB-CZ 3.64Å; M85-F588 HydrophobicContact CE-CB 3.81Å; M85-F588 HydrophobicContact CE-CD1 3.95Å; M85-F588 HydrophobicContact CE-CD2 4.28Å; M85-F588 HydrophobicContact CE-CG 3.75Å; M85-F588 HydrophobicContact CG-CE1 4.42Å; M85-F588 HydrophobicContact SD-CB 4.49Å; M85-F588 HydrophobicContact SD-CD1 3.76Å; M85-F588 HydrophobicContact SD-CE1 4.23Å; M85-F588 HydrophobicContact SD-CG 4.2Å; M86-F588 HydrophobicContact CG-CE2 3.92Å; M86-F588 HydrophobicContact CG-CZ 4.37Å; N89-F588 WeakPolarHBondContact ND2-CE1 3.39Å; N89-F588 WeakPolarHBondContact ND2-CZ 3.4Å; F117-F588 HydrophobicContact CE2-CD1 4.22Å; F117-F588 AromaticContact CE2-CE1 3.81Å; F117-F588 HydrophobicContact CE2-CE1 3.81Å; F117-F588 HydrophobicContact CZ-CE1 4.29Å; F583-F588 WeakPolarHBondContact CA-O 3.31Å; C585-F588 PolarHBondContact O-N 2.67Å; C585-F588 VanDerWaalsContact O-N 3.1Å; E586-F588 VanDerWaalsContact C-N 3.3Å; E586-F588 HydrophobicContact CB-CD2 3.94Å; E586-F588 HydrophobicContact CB-CE2 3.91Å; E586-F588 PolarHBondContact O-N 2.89Å; F588-L590 HydrophobicContact CB-CD2 4.38Å; F588-L590 HydrophobicContact CB-CG 4.47Å; F588-L590 PolarHBondContact O-N 2.98Å
589D95.7Very high91.2Very high13 Ų1346.3 Ų46.37%0.0725%0.249CC..  trans-78.2103.1171.4-174.93.9000110.3N115 F583 R591N115-D589 PolarHBondContact ND2-O 2.98Å; N115-D589 PolarHBondContact OD1-N 3.08Å; F583-D589 HydrophobicContact CD1-CB 3.93Å; F583-D589 HydrophobicContact CE1-CB 3.58Å; F583-D589 VanDerWaalsContact CE1-CG 3.5Å; D589-R591 WeakPolarHBondContact OD1-CB 3.33Å; D589-R591 WeakPolarHBondContact OD1-CG 3.42Å; D589-R591 IonicContact OD1-CZ 3.67Å; D589-R591 PolarHBondContact OD1-N 2.8Å; D589-R591 IonicContact OD1-NE 2.82Å; D589-R591 PolarHBondContact OD1-NE 3.09Å; D589-R591 IonicContact OD1-NH2 3.66Å; D589-R591 IonicContact OD2-CZ 3.47Å; D589-R591 IonicContact OD2-NE 3.42Å; D589-R591 PolarHBondContact OD2-NE 2.73Å; D589-R591 IonicContact OD2-NH2 2.7Å; D589-R591 PolarHBondContact OD2-NH2 2.77Å
590L94.9Very high91.2Very high0 Ų045.5 Ų45.50%024%0.243CC..  trans-104.912.1178.8-59.8-179.4000112.7L42 M85 I111 V581 G582 C585 F588 P592 F593 D594L42-L590 HydrophobicContact CD1-CD1 4.44Å; L42-L590 HydrophobicContact CD2-CD1 4.33Å; M85-L590 HydrophobicContact CE-CD2 4.07Å; I111-L590 HydrophobicContact CD1-CD2 4.13Å; I111-L590 HydrophobicContact CG2-CD2 3.77Å; V581-L590 HydrophobicContact CB-CB 4.5Å; V581-L590 HydrophobicContact CG1-CB 4.44Å; V581-L590 HydrophobicContact CG1-CD1 3.78Å; G582-L590 PolarHBondContact O-N 3.44Å; C585-L590 HydrophobicContact CB-CD1 3.69Å; F588-L590 HydrophobicContact CB-CD2 4.38Å; F588-L590 HydrophobicContact CB-CG 4.47Å; F588-L590 PolarHBondContact O-N 2.98Å; L590-P592 VanDerWaalsContact C-N 3.33Å; L590-F593 VanDerWaalsContact O-CB 3.25Å; L590-F593 WeakPolarHBondContact O-CB 3.34Å; L590-F593 PolarHBondContact O-N 2.6Å; L590-D594 PolarHBondContact O-N 3.18Å
591R94.1Very high91.1Very high110 Ų11044.3 Ų44.342%0.41524%0.236SC..Hα-helixtrans-55.3-34.9179.9-68.6176.4-65.8162.22.3115.2F583 D589 F593 D594 E595F583-R591 VanDerWaalsContact CZ-CZ 3.48Å; F583-R591 VanDerWaalsContact CZ-NE 3.33Å; D589-R591 WeakPolarHBondContact OD1-CB 3.33Å; D589-R591 WeakPolarHBondContact OD1-CG 3.42Å; D589-R591 IonicContact OD1-CZ 3.67Å; D589-R591 PolarHBondContact OD1-N 2.8Å; D589-R591 IonicContact OD1-NE 2.82Å; D589-R591 PolarHBondContact OD1-NE 3.09Å; D589-R591 IonicContact OD1-NH2 3.66Å; D589-R591 IonicContact OD2-CZ 3.47Å; D589-R591 IonicContact OD2-NE 3.42Å; D589-R591 PolarHBondContact OD2-NE 2.73Å; D589-R591 IonicContact OD2-NH2 2.7Å; D589-R591 PolarHBondContact OD2-NH2 2.77Å; R591-F593 PolarHBondContact O-N 3.17Å; R591-D594 WeakPolarHBondContact O-CB 3.2Å; R591-D594 PolarHBondContact O-N 2.91Å; R591-D594 VanDerWaalsContact O-N 3.09Å; R591-E595 WeakPolarHBondContact O-CG 3.3Å; R591-E595 PolarHBondContact O-N 2.79Å
592P94.6Very high90.9Very high13 Ų1348.4 Ų48.48%0.08427%0.269CS..Hα-helixtrans-58.9-28.2174.3-25.134.5000113.5N110 I111 N114 L590 L596N110-P592 HydrophobicContact CB-CB 4.23Å; N110-P592 HydrophobicContact CB-CG 4.5Å; I111-P592 HydrophobicContact CG1-CB 3.91Å; I111-P592 HydrophobicContact CG1-CG 3.95Å; N114-P592 VanDerWaalsContact ND2-CG 3.34Å; N114-P592 WeakPolarHBondContact ND2-CG 3.41Å; L590-P592 VanDerWaalsContact C-N 3.33Å; P592-L596 WeakPolarHBondContact O-CB 3.43Å; P592-L596 PolarHBondContact O-N 3.14Å; P592-L596 VanDerWaalsContact O-N 3.13Å
593F94Very high90.7Very high7 Ų752.5 Ų52.53%0.03128%0.283CS..Hα-helixtrans-73.4-45.7172.9174.1-96.1000111.8G37 L42 T80 M104 C107 I111 L590 R591 E595 L596 V597G37-F593 WeakPolarHBondContact O-CE1 3.36Å; G37-F593 WeakPolarHBondContact O-CZ 3.02Å; L42-F593 HydrophobicContact CD1-CD1 3.78Å; L42-F593 HydrophobicContact CD1-CE1 3.34Å; L42-F593 HydrophobicContact CD1-CE2 4.36Å; L42-F593 HydrophobicContact CD1-CG 4.43Å; L42-F593 HydrophobicContact CD1-CZ 3.6Å; T80-F593 HydrophobicContact CG2-CB 4.11Å; T80-F593 HydrophobicContact CG2-CD2 3.38Å; T80-F593 HydrophobicContact CG2-CE2 3.69Å; T80-F593 HydrophobicContact CG2-CG 3.8Å; T80-F593 HydrophobicContact CG2-CZ 4.37Å; M104-F593 HydrophobicContact CE-CD2 3.85Å; M104-F593 HydrophobicContact CE-CE2 3.57Å; M104-F593 HydrophobicContact SD-CD2 3.94Å; M104-F593 HydrophobicContact SD-CE2 4.05Å; C107-F593 VanDerWaalsContact SG-CA 3.54Å; I111-F593 HydrophobicContact CD1-CB 4.03Å; L590-F593 VanDerWaalsContact O-CB 3.25Å; L590-F593 WeakPolarHBondContact O-CB 3.34Å; L590-F593 PolarHBondContact O-N 2.6Å; R591-F593 PolarHBondContact O-N 3.17Å; F593-E595 VanDerWaalsContact C-N 3.27Å; F593-E595 PolarHBondContact O-N 2.88Å; F593-L596 PolarHBondContact O-N 3.31Å; F593-V597 HydrophobicContact CD1-CG2 4.32Å; F593-V597 HydrophobicContact CD2-CG2 3.98Å; F593-V597 HydrophobicContact CE1-CG2 4.11Å; F593-V597 HydrophobicContact CE2-CG2 3.79Å; F593-V597 HydrophobicContact CG-CG2 4.3Å; F593-V597 HydrophobicContact CZ-CG2 3.91Å; F593-V597 WeakPolarHBondContact O-CG2 3.39Å; F593-V597 PolarHBondContact O-N 3.16Å
594D91.9Very high90.5Very high17 Ų1747.2 Ų47.29%0.09126%0.26CS..Hα-helixtrans-56.8-44.9174.5-63.4-32.7000110.8P580 V581 G582 L590 R591 L596 L598P580-D594 VanDerWaalsContact CA-OD1 3.29Å; P580-D594 WeakPolarHBondContact CA-OD1 3.2Å; P580-D594 HydrophobicContact CB-CB 4.17Å; V581-D594 PolarHBondContact N-OD1 3.38Å; V581-D594 PolarHBondContact N-OD2 2.91Å; G582-D594 WeakPolarHBondContact CA-OD2 3.4Å; G582-D594 PolarHBondContact N-OD2 3.32Å; L590-D594 PolarHBondContact O-N 3.18Å; R591-D594 WeakPolarHBondContact O-CB 3.2Å; R591-D594 PolarHBondContact O-N 2.91Å; R591-D594 VanDerWaalsContact O-N 3.09Å; D594-L596 PolarHBondContact O-N 3.45Å; D594-L598 HydrophobicContact CB-CD1 4.21Å; D594-L598 WeakPolarHBondContact O-CB 3.19Å; D594-L598 WeakPolarHBondContact O-CG 3.4Å; D594-L598 PolarHBondContact O-N 2.87Å
595E92.3Very high90.5Very high136 Ų13644 Ų4464%0.63624%0.239SC*.Hα-helixtrans-59.8-43.6176.9-72.6170.2-169.200111.8R591 F593 D599R591-E595 WeakPolarHBondContact O-CG 3.3Å; R591-E595 PolarHBondContact O-N 2.79Å; F593-E595 VanDerWaalsContact C-N 3.27Å; F593-E595 PolarHBondContact O-N 2.88Å; E595-D599 WeakPolarHBondContact O-CB 3.5Å; E595-D599 PolarHBondContact O-N 2.89Å
596L92.3Very high90.4Very high45 Ų4549.5 Ų49.524%0.23626%0.264CS..Hα-helixtrans-66.7-51.1179.2177.263.5000112.2I33 C107 P592 F593 D594 A600I33-L596 HydrophobicContact CD1-CD1 4.17Å; I33-L596 HydrophobicContact CG2-CD1 3.88Å; I33-L596 HydrophobicContact CG2-CD2 4.28Å; I33-L596 HydrophobicContact CG2-CG 3.68Å; C107-L596 HydrophobicContact CB-CD2 3.74Å; P592-L596 WeakPolarHBondContact O-CB 3.43Å; P592-L596 PolarHBondContact O-N 3.14Å; P592-L596 VanDerWaalsContact O-N 3.13Å; F593-L596 PolarHBondContact O-N 3.31Å; D594-L596 PolarHBondContact O-N 3.45Å; L596-A600 WeakPolarHBondContact O-CB 2.84Å; L596-A600 PolarHBondContact O-N 3.37Å
597V90.6Very high90.2Very high15 Ų1551.5 Ų51.59%0.09128%0.276CS..Hα-helixtrans-75.7-44.3-171.6175.10000111.1G37 F593 D599 A600 S601G37-V597 VanDerWaalsContact CA-CG1 3.47Å; F593-V597 HydrophobicContact CD1-CG2 4.32Å; F593-V597 HydrophobicContact CD2-CG2 3.98Å; F593-V597 HydrophobicContact CE1-CG2 4.11Å; F593-V597 HydrophobicContact CE2-CG2 3.79Å; F593-V597 HydrophobicContact CG-CG2 4.3Å; F593-V597 HydrophobicContact CZ-CG2 3.91Å; F593-V597 WeakPolarHBondContact O-CG2 3.39Å; F593-V597 PolarHBondContact O-N 3.16Å; V597-D599 PolarHBondContact O-N 3.13Å; V597-A600 PolarHBondContact O-N 3.01Å; V597-S601 WeakPolarHBondContact O-CB 3.32Å; V597-S601 PolarHBondContact O-N 3.19Å; V597-S601 PolarHBondContact O-OG 3.08Å
598L87.7Confident90.3Very high67 Ų6746.9 Ų46.935%0.35124%0.242SC..Hα-helixtrans-68.9-35.3-178.5-63.4174.9000112P580 D594 A602P580-L598 HydrophobicContact CB-CD1 4.15Å; D594-L598 HydrophobicContact CB-CD1 4.21Å; D594-L598 WeakPolarHBondContact O-CB 3.19Å; D594-L598 WeakPolarHBondContact O-CG 3.4Å; D594-L598 PolarHBondContact O-N 2.87Å; L598-A602 VanDerWaalsContact O-CB 3.26Å; L598-A602 WeakPolarHBondContact O-CB 3.49Å; L598-A602 PolarHBondContact O-N 3.46Å
599D89.2Confident90.2Very high83 Ų8348 Ų4844%0.44425%0.248SC..Hα-helixtrans-66.3-42.4173.6179.161.1000111.4E595 V597 A602 K603E595-D599 WeakPolarHBondContact O-CB 3.5Å; E595-D599 PolarHBondContact O-N 2.89Å; V597-D599 PolarHBondContact O-N 3.13Å; D599-A602 PolarHBondContact O-N 3.3Å; D599-K603 VanDerWaalsContact CG-NZ 3.33Å; D599-K603 WeakPolarHBondContact O-CD 3.44Å; D599-K603 VanDerWaalsContact O-CG 3.31Å; D599-K603 WeakPolarHBondContact O-CG 3.25Å; D599-K603 PolarHBondContact O-N 3.14Å; D599-K603 VanDerWaalsContact OD1-CE 3.26Å; D599-K603 WeakPolarHBondContact OD1-CE 3.34Å; D599-K603 IonicContact OD1-NZ 3.92Å; D599-K603 PolarHBondContact OD1-NZ 3.15Å; D599-K603 WeakPolarHBondContact OD2-CE 3.32Å; D599-K603 IonicContact OD2-NZ 2.71Å; D599-K603 PolarHBondContact OD2-NZ 3.4Å
600A88.9Confident90.1Very high1 Ų149.2 Ų49.21%0.00826%0.256CS..Hα-helixtrans-63.3-49.5175.600000111.7N30 I33 A34 L596 V597 A602 K603 S604N30-A600 HydrophobicContact CB-CB 4.36Å; N30-A600 WeakPolarHBondContact O-CB 3.4Å; I33-A600 HydrophobicContact CB-CB 3.79Å; I33-A600 HydrophobicContact CG2-CB 3.5Å; A34-A600 HydrophobicContact CB-CB 4.3Å; L596-A600 WeakPolarHBondContact O-CB 2.84Å; L596-A600 PolarHBondContact O-N 3.37Å; V597-A600 PolarHBondContact O-N 3.01Å; A600-A602 VanDerWaalsContact C-N 3.34Å; A600-A602 PolarHBondContact O-N 3.31Å; A600-K603 WeakPolarHBondContact O-CB 3.21Å; A600-K603 PolarHBondContact O-N 3.01Å; A600-S604 PolarHBondContact O-N 3.15Å; A600-S604 PolarHBondContact O-OG 2.79Å; A600-S604 VanDerWaalsContact O-OG 3.05Å
601S87.1Confident90.1Very high13 Ų1350.3 Ų50.39%0.09126%0.261CS..Hα-helixtrans-59.1-41.3176.2-730000112.6A34 R578 V597 K603 S604 D605A34-S601 WeakPolarHBondContact CB-OG 3.39Å; R578-S601 PolarHBondContact NH1-OG 3.07Å; V597-S601 WeakPolarHBondContact O-CB 3.32Å; V597-S601 PolarHBondContact O-N 3.19Å; V597-S601 PolarHBondContact O-OG 3.08Å; S601-K603 PolarHBondContact O-N 3.09Å; S601-K603 VanDerWaalsContact O-N 3.16Å; S601-S604 PolarHBondContact O-N 2.69Å; S601-D605 VanDerWaalsContact CB-OD2 3.24Å; S601-D605 WeakPolarHBondContact CB-OD2 3.35Å; S601-D605 WeakPolarHBondContact O-CB 3.27Å; S601-D605 PolarHBondContact O-N 3.17Å; S601-D605 PolarHBondContact OG-OD2 3.39Å
602A85.2Confident90.2Very high88 Ų8845.9 Ų45.973%0.72725%0.247SC*.Hα-helixtrans-63.2-20.2176.500000113.5L598 D599 A600L598-A602 VanDerWaalsContact O-CB 3.26Å; L598-A602 WeakPolarHBondContact O-CB 3.49Å; L598-A602 PolarHBondContact O-N 3.46Å; D599-A602 PolarHBondContact O-N 3.3Å; A600-A602 VanDerWaalsContact C-N 3.34Å; A600-A602 PolarHBondContact O-N 3.31Å
603K85.4Confident90.3Very high102 Ų10245.3 Ų45.344%0.44324%0.243SC..Hα-helixtrans-95.5-29.2178-68165.8-179.3169.60113.4N30 D599 A600 S601N30-K603 HydrophobicContact CB-CB 4.49Å; D599-K603 VanDerWaalsContact CG-NZ 3.33Å; D599-K603 WeakPolarHBondContact O-CD 3.44Å; D599-K603 VanDerWaalsContact O-CG 3.31Å; D599-K603 WeakPolarHBondContact O-CG 3.25Å; D599-K603 PolarHBondContact O-N 3.14Å; D599-K603 VanDerWaalsContact OD1-CE 3.26Å; D599-K603 WeakPolarHBondContact OD1-CE 3.34Å; D599-K603 IonicContact OD1-NZ 3.92Å; D599-K603 PolarHBondContact OD1-NZ 3.15Å; D599-K603 WeakPolarHBondContact OD2-CE 3.32Å; D599-K603 IonicContact OD2-NZ 2.71Å; D599-K603 PolarHBondContact OD2-NZ 3.4Å; A600-K603 WeakPolarHBondContact O-CB 3.21Å; A600-K603 PolarHBondContact O-N 3.01Å; S601-K603 PolarHBondContact O-N 3.09Å; S601-K603 VanDerWaalsContact O-N 3.16Å
604S83.8Confident90.4Very high5 Ų545.7 Ų45.74%0.03524%0.244CC..Hα-helixtrans-112.8-30.9-171.162.50000115.3A600 S601A600-S604 PolarHBondContact O-N 3.15Å; A600-S604 PolarHBondContact O-OG 2.79Å; A600-S604 VanDerWaalsContact O-OG 3.05Å; S601-S604 PolarHBondContact O-N 2.69Å
605D84.7Confident90.5Very high44 Ų4445.6 Ų45.624%0.23524%0.243CC..SBendtrans-92.1144.9-167.1-60.6-9.7000111.1R578 S601R578-D605 IonicContact CZ-OD2 3.84Å; R578-D605 IonicContact NH1-OD2 2.75Å; R578-D605 PolarHBondContact NH1-OD2 2.96Å; R578-D605 IonicContact NH2-OD2 3.3Å; R578-D605 PolarHBondContact NH2-OD2 3.29Å; S601-D605 VanDerWaalsContact CB-OD2 3.24Å; S601-D605 WeakPolarHBondContact CB-OD2 3.35Å; S601-D605 WeakPolarHBondContact O-CB 3.27Å; S601-D605 PolarHBondContact O-N 3.17Å; S601-D605 PolarHBondContact OG-OD2 3.39Å
606E86Confident90.7Very high120 Ų12039.7 Ų39.756%0.56122%0.215SC*.  trans-76.8152.8176.9-63-63.2157.400110.7K21 I608K21-E606 IonicContact NZ-OE1 3.68Å; K21-E606 PolarHBondContact NZ-OE1 2.92Å; E606-I608 VanDerWaalsContact C-N 3.26Å; E606-I608 PolarHBondContact O-N 3.4Å
607L89.2Confident90.9Very high85 Ų8539.1 Ų39.145%0.44521%0.214SC..SBendtrans-63.9-30.9-177.3-17365.3000113.3F717 P750L607-F717 HydrophobicContact CD1-CD2 3.68Å; L607-F717 HydrophobicContact CD1-CE2 3.35Å; L607-F717 HydrophobicContact CD1-CZ 4.41Å; L607-F717 HydrophobicContact CG-CD2 3.87Å; L607-F717 HydrophobicContact CG-CE2 4.03Å; L607-F717 WeakPolarHBondContact O-CD2 3.49Å; L607-P750 HydrophobicContact CD2-CG 4.25Å
608I94Very high91.2Very high11 Ų1139.1 Ų39.16%0.05621%0.214CC..SBendtrans-115.4130.5-179.2-54.8-55.5000109.1L530 W532 E606 L670 G715 V716 F717 P750 F752L530-I608 HydrophobicContact CD1-CB 4.41Å; L530-I608 HydrophobicContact CD1-CG2 4.38Å; L530-I608 HydrophobicContact CD2-CB 4.42Å; L530-I608 HydrophobicContact CD2-CG2 3.68Å; W532-I608 HydrophobicContact CH2-CG2 4.29Å; W532-I608 HydrophobicContact CZ2-CG2 4.35Å; E606-I608 VanDerWaalsContact C-N 3.26Å; E606-I608 PolarHBondContact O-N 3.4Å; I608-L670 HydrophobicContact CD1-CD1 3.73Å; I608-L670 HydrophobicContact CG2-CD1 4.27Å; I608-G715 VanDerWaalsContact CG2-CA 3.48Å; I608-V716 WeakPolarHBondContact CA-O 3.34Å; I608-F717 HydrophobicContact CD1-CB 3.66Å; I608-F717 HydrophobicContact CD1-CG 4.48Å; I608-P750 HydrophobicContact CD1-CB 4.34Å; I608-P750 HydrophobicContact CD1-CG 3.73Å; I608-P750 HydrophobicContact CG1-CB 4.4Å; I608-P750 HydrophobicContact CG1-CG 3.35Å; I608-F752 HydrophobicContact CD1-CE2 3.79Å; I608-F752 HydrophobicContact CD1-CZ 4.3Å
609E91.9Very high91.7Very high34 Ų3437.4 Ų37.416%0.15921%0.206CC..EExtended strand (participates in β ladder)trans-112.3142.4178.7-71.2161.5-156.100111.1R578 H611 G715 V716R578-E609 IonicContact CZ-OE1 2.86Å; R578-E609 IonicContact NE-OE1 3.86Å; R578-E609 PolarHBondContact NE-OE1 3.29Å; R578-E609 IonicContact NE-OE2 3.02Å; R578-E609 PolarHBondContact NE-OE2 2.78Å; R578-E609 IonicContact NH2-OE1 2.8Å; R578-E609 PolarHBondContact NH2-OE1 3.01Å; R578-E609 IonicContact NH2-OE2 3.93Å; E609-H611 IonicContact OE2-NE2 2.8Å; E609-G715 CarbonylContact O-C 3.57Å; E609-V716 PolarHBondContact N-O 3.01Å; E609-V716 PolarHBondContact O-N 2.71Å
610P94.4Very high92.1Very high37 Ų3733.5 Ų33.524%0.2419%0.185CC..EExtended strand (participates in β ladder)trans-78.6129.7175.138.3-40.6000110.3I529 L530 Q713 Q714I529-P610 HydrophobicContact CG2-CB 3.92Å; I529-P610 HydrophobicContact CG2-CG 3.47Å; I529-P610 VanDerWaalsContact CG2-CG 3.47Å; I529-P610 WeakPolarHBondContact O-CB 3.46Å; L530-P610 HydrophobicContact CD2-CB 4.4Å; P610-Q713 HydrophobicContact CB-CB 4.16Å; P610-Q713 PolarHBondContact O-OE1 3.32Å; P610-Q714 CarbonylContact C-O 3.58Å; P610-Q714 VanDerWaalsContact CA-O 3.31Å; P610-Q714 WeakPolarHBondContact CA-O 3.08Å
611H95.3Very high92.4Very high23 Ų2335.4 Ų35.411%0.10619%0.192CC..EExtended strand (participates in β ladder)trans-139.8141.8170.7-70.4-84.8000111.8L574 E609 L613 Y616 Q714 V716L574-H611 HydrophobicContact CD2-CB 4.29Å; E609-H611 IonicContact OE2-NE2 2.8Å; H611-L613 VanDerWaalsContact C-N 3.32Å; H611-L613 HydrophobicContact CB-CD2 4.06Å; H611-L613 PolarHBondContact O-N 2.83Å; H611-Y616 HydrophobicContact CB-CE2 4.27Å; H611-Q714 PolarHBondContact N-O 3.1Å; H611-Q714 PolarHBondContact O-N 3Å; H611-Q714 PolarHBondContact O-OE1 2.95Å; H611-Q714 VanDerWaalsContact O-OE1 3.1Å; H611-V716 HydrophobicContact CB-CG2 3.92Å
612P95.6Very high92.8Very high18 Ų1835 Ų3512%0.11719%0.189CC..  trans-74.384.5169.130.8-32.3000109.4W614 E615 Y616 Q713P612-W614 PolarHBondContact O-N 2.85Å; P612-E615 HydrophobicContact CB-CG 4.3Å; P612-E615 WeakPolarHBondContact CB-OE1 3.49Å; P612-E615 HydrophobicContact CG-CG 4.22Å; P612-E615 WeakPolarHBondContact CG-OE1 3.43Å; P612-E615 WeakPolarHBondContact O-CB 3.16Å; P612-E615 PolarHBondContact O-N 3.04Å; P612-Y616 HydrophobicContact CG-CE2 4.21Å; P612-Y616 WeakPolarHBondContact O-CD2 3.39Å; P612-Q713 HydrophobicContact CB-CG 4.29Å
613L96.9Very high93.3Very high0 Ų036.1 Ų36.10%018%0.183CC..G310 helixtrans-63.1-12-169.9-69.8-175.7000114.8F571 L574 H611 E615 Y616 A669 W707 Q714 V716F571-L613 HydrophobicContact CD1-CD2 4.39Å; F571-L613 HydrophobicContact CE1-CD1 4.22Å; F571-L613 HydrophobicContact CE1-CD2 3.47Å; F571-L613 VanDerWaalsContact CE1-CD2 3.47Å; F571-L613 HydrophobicContact CE1-CG 4.43Å; F571-L613 HydrophobicContact CZ-CD1 4.29Å; F571-L613 HydrophobicContact CZ-CD2 3.92Å; L574-L613 HydrophobicContact CD2-CD2 3.78Å; H611-L613 VanDerWaalsContact C-N 3.32Å; H611-L613 HydrophobicContact CB-CD2 4.06Å; H611-L613 PolarHBondContact O-N 2.83Å; L613-E615 PolarHBondContact O-N 3.38Å; L613-Y616 PolarHBondContact O-N 3.15Å; L613-A669 HydrophobicContact CD1-CB 3.52Å; L613-W707 HydrophobicContact CB-CB 4.3Å; L613-W707 HydrophobicContact CB-CD2 3.92Å; L613-W707 HydrophobicContact CB-CG 3.62Å; L613-W707 HydrophobicContact CD1-CD2 4.18Å; L613-W707 HydrophobicContact CD1-CH2 4.23Å; L613-W707 HydrophobicContact CD1-CZ2 3.69Å; L613-Q714 HydrophobicContact CD1-CB 3.7Å; L613-Q714 HydrophobicContact CD1-CG 4.07Å; L613-Q714 HydrophobicContact CG-CB 3.94Å; L613-Q714 HydrophobicContact CG-CG 4.34Å; L613-V716 HydrophobicContact CD1-CG2 4.16Å; L613-V716 HydrophobicContact CD2-CG2 3.64Å; L613-V716 HydrophobicContact CG-CG2 4.11Å
614W94.9Very high93.7Very high16 Ų1632.9 Ų32.96%0.06118%0.175CC..G310 helixtrans-66.1-20.3171.673.3-91.9000113.1F192 I233 I238 R250 P612 W707 S709F192-W614 AromaticContact CE1-CH2 3.87Å; F192-W614 HydrophobicContact CE1-CH2 3.87Å; F192-W614 HydrophobicContact CE1-CZ2 4.36Å; F192-W614 HydrophobicContact CE1-CZ3 4.31Å; F192-W614 AromaticContact CZ-CH2 3.81Å; F192-W614 HydrophobicContact CZ-CH2 3.81Å; F192-W614 AromaticContact CZ-CZ2 3.89Å; F192-W614 HydrophobicContact CZ-CZ2 3.89Å; F192-W614 HydrophobicContact CZ-CZ3 4.26Å; I233-W614 HydrophobicContact CB-CH2 4.44Å; I233-W614 HydrophobicContact CD1-CH2 4.28Å; I238-W614 HydrophobicContact CG1-CZ3 4.25Å; R250-W614 HydrophobicContact CG-CE3 4.15Å; R250-W614 HydrophobicContact CG-CZ3 4.36Å; R250-W614 PolarHBondContact NH1-O 2.72Å; P612-W614 PolarHBondContact O-N 2.85Å; W614-W707 HydrophobicContact CB-CB 4.09Å; W614-S709 VanDerWaalsContact CD1-CA 3.5Å
615E95.7Very high94.3Very high14 Ų1433.8 Ų33.87%0.06518%0.181CC..G310 helixtrans-86.7-8.7177.4-61.9-169.7-127.200113.2I233 Q234 E237 P612 L613I233-E615 VanDerWaalsContact CA-OE2 3.28Å; I233-E615 WeakPolarHBondContact CA-OE2 3.43Å; I233-E615 WeakPolarHBondContact CB-OE2 3.31Å; Q234-E615 HydrophobicContact CB-CB 3.95Å; Q234-E615 HydrophobicContact CB-CG 4.41Å; Q234-E615 HydrophobicContact CG-CB 3.94Å; Q234-E615 WeakPolarHBondContact CG-O 3.33Å; Q234-E615 PolarHBondContact N-OE2 3.48Å; E237-E615 WeakPolarHBondContact CG-O 3.5Å; P612-E615 HydrophobicContact CB-CG 4.3Å; P612-E615 WeakPolarHBondContact CB-OE1 3.49Å; P612-E615 HydrophobicContact CG-CG 4.22Å; P612-E615 WeakPolarHBondContact CG-OE1 3.43Å; P612-E615 WeakPolarHBondContact O-CB 3.16Å; P612-E615 PolarHBondContact O-N 3.04Å; L613-E615 PolarHBondContact O-N 3.38Å
616Y96.1Very high94.8Very high13 Ų1332.6 Ų32.65%0.05118%0.175CC..SBendtrans-120.2107.9-172.8-59.2-87.6000110.6W326 D328 L574 H611 P612 L613 N618W326-Y616 HydrophobicContact CH2-CD1 4.11Å; W326-Y616 HydrophobicContact CH2-CE1 4.07Å; W326-Y616 AromaticContact CZ2-CD1 3.95Å; W326-Y616 HydrophobicContact CZ2-CD1 3.95Å; W326-Y616 HydrophobicContact CZ2-CE1 4.13Å; D328-Y616 WeakPolarHBondContact OD1-CE1 3.44Å; D328-Y616 PolarHBondContact OD1-OH 2.75Å; L574-Y616 HydrophobicContact CB-CD1 3.72Å; L574-Y616 HydrophobicContact CB-CE1 4.26Å; L574-Y616 HydrophobicContact CB-CG 4.16Å; L574-Y616 HydrophobicContact CD1-CD1 3.84Å; L574-Y616 HydrophobicContact CD1-CE1 3.53Å; L574-Y616 HydrophobicContact CD1-CE2 4.42Å; L574-Y616 HydrophobicContact CD1-CG 4.36Å; L574-Y616 HydrophobicContact CD2-CD1 4.47Å; L574-Y616 HydrophobicContact CD2-CG 4.28Å; L574-Y616 HydrophobicContact CG-CD1 4.2Å; L574-Y616 HydrophobicContact CG-CE1 4.39Å; H611-Y616 HydrophobicContact CB-CE2 4.27Å; P612-Y616 HydrophobicContact CG-CE2 4.21Å; P612-Y616 WeakPolarHBondContact O-CD2 3.39Å; L613-Y616 PolarHBondContact O-N 3.15Å; Y616-N618 PolarHBondContact O-N 2.84Å; Y616-N618 PolarHBondContact O-ND2 2.88Å
617P95.6Very high95.3Very high32 Ų3226.9 Ų26.921%0.20815%0.149CC..  trans-52.3129.7174.1-29.135.4000111.7E237 K572E237-P617 VanDerWaalsContact OE1-CG 3.23Å; E237-P617 WeakPolarHBondContact OE1-CG 3.02Å; K572-P617 HydrophobicContact CB-CB 4.07Å; K572-P617 WeakPolarHBondContact CB-O 3.29Å; K572-P617 HydrophobicContact CD-CB 4.05Å; K572-P617 PolarHBondContact N-O 2.61Å
618N97.2Very high95.6Very high16 Ų1622.8 Ų22.89%0.08613%0.128CC..EExtended strand (participates in β ladder)trans-150168.6-170.667.875.3000112.3V569 D570 F571 Y616 P704 I705 W707V569-N618 HydrophobicContact CG1-CB 3.62Å; D570-N618 CarbonylContact O-C 3.52Å; D570-N618 VanDerWaalsContact O-CA 3.26Å; D570-N618 WeakPolarHBondContact O-CA 3.5Å; F571-N618 HydrophobicContact CD1-CB 3.88Å; F571-N618 HydrophobicContact CE1-CB 4.25Å; Y616-N618 PolarHBondContact O-N 2.84Å; Y616-N618 PolarHBondContact O-ND2 2.88Å; N618-P704 WeakPolarHBondContact O-CA 3.43Å; N618-I705 VanDerWaalsContact OD1-CB 3.27Å; N618-I705 WeakPolarHBondContact OD1-CB 3.42Å; N618-I705 PolarHBondContact OD1-N 3.25Å; N618-W707 PolarHBondContact ND2-NE1 3.35Å
619T97.5Very high95.6Very high31 Ų3123 Ų2319%0.1913%0.128CC..EExtended strand (participates in β ladder)trans-142.2132.5174.6-600000110.4D570 R621D570-T619 PolarHBondContact N-O 3.5Å; D570-T619 PolarHBondContact O-N 3.09Å; T619-R621 PolarHBondContact O-N 2.84Å
620A97.8Very high95.5Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-66126.7174.200000110.5I567 N702 E703 I705I567-A620 HydrophobicContact CD1-CB 3.92Å; A620-N702 WeakPolarHBondContact O-CA 3.38Å; A620-N702 PolarHBondContact O-N 3.37Å; A620-E703 PolarHBondContact N-O 3.25Å; A620-I705 HydrophobicContact CB-CD1 3.93Å; A620-I705 HydrophobicContact CB-CG1 3.77Å
621R95.9Very high95.2Very high41 Ų4121.4 Ų21.416%0.15512%0.12CC..  trans-1130.2178.8-63.2-54.8-172.6-171.1-4.2114.1L568 D570 T619 A660 S661 S664 V665 L701 N702L568-R621 HydrophobicContact CB-CB 4.15Å; L568-R621 PolarHBondContact O-N 2.87Å; D570-R621 HydrophobicContact CB-CG 3.7Å; D570-R621 IonicContact OD2-CZ 3.45Å; D570-R621 IonicContact OD2-NE 2.8Å; D570-R621 PolarHBondContact OD2-NE 2.93Å; D570-R621 IonicContact OD2-NH2 3.36Å; D570-R621 PolarHBondContact OD2-NH2 3.47Å; T619-R621 PolarHBondContact O-N 2.84Å; R621-A660 CarbonylContact O-C 3.54Å; R621-A660 WeakPolarHBondContact O-CA 3.42Å; R621-S661 WeakPolarHBondContact CA-OG 3.21Å; R621-S661 PolarHBondContact O-N 3.09Å; R621-S661 PolarHBondContact O-OG 2.76Å; R621-S664 PolarHBondContact NH2-OG 3.12Å; R621-V665 HydrophobicContact CB-CB 4.23Å; R621-V665 HydrophobicContact CB-CG2 4.33Å; R621-V665 HydrophobicContact CG-CB 4.24Å; R621-L701 VanDerWaalsContact C-CD1 3.49Å; R621-N702 PolarHBondContact NH1-OD1 3.44Å
622S95.6Very high94.7Very high4 Ų420.4 Ų20.43%0.02812%0.115CC..SBendtrans-145.8171168.4700000109.9I567 L568 L658 T659 L701I567-S622 WeakPolarHBondContact CD1-O 3.37Å; I567-S622 WeakPolarHBondContact CG1-O 3.41Å; L568-S622 PolarHBondContact N-OG 2.97Å; S622-L658 WeakPolarHBondContact OG-CD2 3.33Å; S622-T659 WeakPolarHBondContact CB-O 3.39Å; S622-L701 VanDerWaalsContact CA-CD1 3.47Å
623D95Very high93.5Very high112 Ų11219.8 Ų19.860%0.59911%0.111SC*.  trans-66.3153.7158.4-61-48.5000110.1L658D623-L658 WeakPolarHBondContact O-CD2 3.37Å
624A95.5Very high92.1Very high34 Ų3421 Ų2128%0.28112%0.118SC..  trans-74.4141170.400000110.5Y565 A566 I567 W671Y565-A624 HydrophobicContact CD1-CB 4.28Å; A566-A624 WeakPolarHBondContact O-CA 3.16Å; I567-A624 HydrophobicContact CB-CB 4.39Å; I567-A624 HydrophobicContact CD1-CB 4.32Å; A624-W671 HydrophobicContact CB-CH2 3.55Å; A624-W671 HydrophobicContact CB-CZ2 4.14Å
625C95.3Very high90.6Very high24 Ų2420.5 Ų20.516%0.16212%0.117CC..EExtended strand (participates in β ladder)trans-135.7150.717474.20000111.9Y565 A566 N656 L658Y565-C625 CarbonylContact C-O 3.56Å; Y565-C625 VanDerWaalsContact CA-O 3.24Å; Y565-C625 WeakPolarHBondContact CA-O 3.47Å; A566-C625 PolarHBondContact N-O 3.36Å; A566-C625 PolarHBondContact O-N 3.2Å; C625-N656 HydrophobicContact CB-CB 4.19Å; C625-N656 VanDerWaalsContact SG-CB 3.57Å; C625-L658 HydrophobicContact CB-CD2 4.41Å; C625-L658 WeakPolarHBondContact SG-CD2 3.47Å
626V95.8Very high88.8Confident19 Ų1923.9 Ų23.912%0.11514%0.142CC..EExtended strand (participates in β ladder)trans-78.8120.6174.9179.50000109R563 I564 Y565 F628 E629 K654 N656R563-V626 HydrophobicContact CB-CG1 4.26Å; R563-V626 HydrophobicContact CG-CG1 4.2Å; I564-V626 CarbonylContact O-C 3.59Å; I564-V626 WeakPolarHBondContact O-CA 3.37Å; Y565-V626 HydrophobicContact CD1-CG2 3.9Å; Y565-V626 HydrophobicContact CD2-CG2 4.42Å; Y565-V626 HydrophobicContact CE1-CG2 3.43Å; Y565-V626 VanDerWaalsContact CE1-CG2 3.43Å; Y565-V626 HydrophobicContact CE2-CG2 3.98Å; Y565-V626 HydrophobicContact CG-CG2 4.39Å; V626-F628 WeakPolarHBondContact CG1-O 3.18Å; V626-E629 HydrophobicContact CG1-CB 4.39Å; V626-K654 HydrophobicContact CB-CD 4.35Å; V626-K654 HydrophobicContact CG1-CD 4.05Å; V626-K654 WeakPolarHBondContact O-CB 3.31Å; V626-N656 PolarHBondContact O-ND2 2.84Å
627I95.8Very high86.9Confident0 Ų028.5 Ų28.50%017%0.167CC..EExtended strand (participates in β ladder)trans-103.1-12178.961.8161.7000113I564 A566 K654 L670 A737 M739I564-I627 HydrophobicContact CG2-CD1 4.48Å; I564-I627 HydrophobicContact CG2-CG1 4.29Å; I564-I627 PolarHBondContact O-N 3.48Å; A566-I627 HydrophobicContact CB-CD1 4.1Å; A566-I627 HydrophobicContact CB-CG1 4.35Å; A566-I627 HydrophobicContact CB-CG2 3.76Å; I627-K654 CarbonylContact C-O 3.58Å; I627-K654 WeakPolarHBondContact CA-O 3.43Å; I627-K654 PolarHBondContact O-N 3.42Å; I627-K654 VanDerWaalsContact O-N 3.16Å; I627-L670 HydrophobicContact CD1-CD2 3.66Å; I627-A737 HydrophobicContact CG2-CB 3.7Å; I627-M739 HydrophobicContact CD1-CB 4.05Å; I627-M739 HydrophobicContact CD1-CE 4.28Å; I627-M739 HydrophobicContact CG1-CB 4.47Å; I627-M739 PolarHBondContact O-N 3.38Å
628F95.7Very high85.1Confident0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-152.3139178176.9-93.2000110.4L562 R563 I564 V626 M630 I651 M739 F741 L748L562-F628 HydrophobicContact CD2-CE1 4.11Å; L562-F628 HydrophobicContact CG-CE1 4.49Å; R563-F628 WeakPolarHBondContact CA-O 3.35Å; I564-F628 HydrophobicContact CB-CB 4.14Å; I564-F628 HydrophobicContact CD1-CB 4.33Å; I564-F628 HydrophobicContact CD1-CD1 3.71Å; I564-F628 HydrophobicContact CD1-CE1 4.36Å; I564-F628 HydrophobicContact CD1-CG 4.25Å; I564-F628 HydrophobicContact CG1-CD1 4.08Å; I564-F628 PolarHBondContact N-O 2.75Å; V626-F628 WeakPolarHBondContact CG1-O 3.18Å; F628-M630 HydrophobicContact CE1-CB 3.7Å; F628-M630 HydrophobicContact CZ-CB 3.94Å; F628-I651 HydrophobicContact CD2-CG2 4.26Å; F628-I651 HydrophobicContact CE2-CG2 3.42Å; F628-I651 VanDerWaalsContact CE2-CG2 3.42Å; F628-I651 HydrophobicContact CZ-CG2 3.93Å; F628-M739 HydrophobicContact CB-CB 4.1Å; F628-M739 HydrophobicContact CB-SD 4.49Å; F628-M739 WeakPolarHBondContact CD2-O 3.38Å; F628-F741 HydrophobicContact CE2-CB 3.51Å; F628-F741 HydrophobicContact CE2-CG 4.44Å; F628-F741 HydrophobicContact CZ-CB 3.7Å; F628-F741 HydrophobicContact CZ-CD1 4.21Å; F628-F741 HydrophobicContact CZ-CG 4.15Å; F628-L748 HydrophobicContact CD1-CD2 4.11Å; F628-L748 HydrophobicContact CE1-CD2 3.82Å; F628-L748 HydrophobicContact CE2-CD2 4.24Å; F628-L748 HydrophobicContact CG-CD2 4.45Å; F628-L748 HydrophobicContact CZ-CD2 3.89Å
629E93.9Very high83.1Confident16 Ų1629 Ų298%0.07518%0.178CC..EExtended strand (participates in β ladder)trans-138.9134.6171.9-177.1166.4-15400109.6L562 R563 V626 H652 K654L562-E629 CarbonylContact O-C 3.58Å; L562-E629 WeakPolarHBondContact O-CA 3.46Å; R563-E629 HydrophobicContact CG-CB 4.29Å; R563-E629 HydrophobicContact CG-CG 3.96Å; R563-E629 IonicContact CZ-OE1 3.5Å; R563-E629 IonicContact NE-OE1 2.63Å; R563-E629 PolarHBondContact NE-OE1 3.15Å; R563-E629 IonicContact NE-OE2 2.65Å; R563-E629 IonicContact NH2-OE1 2.76Å; R563-E629 PolarHBondContact NH2-OE1 3.49Å; V626-E629 HydrophobicContact CG1-CB 4.39Å; E629-H652 HydrophobicContact CB-CB 4.45Å; E629-H652 PolarHBondContact N-O 2.76Å; E629-H652 PolarHBondContact O-N 3.05Å; E629-K654 WeakPolarHBondContact OE2-CE 3.39Å; E629-K654 IonicContact OE2-NZ 3.9Å; E629-K654 PolarHBondContact OE2-NZ 3.47Å
630M90.9Very high81.2Confident0 Ų031.8 Ų31.80%020%0.198CC..EExtended strand (participates in β ladder)trans-128129176.5-179.1-178.6-17600109.5W538 R561 L562 F628 L632 I651 F741W538-M630 HydrophobicContact CD2-CE 3.87Å; W538-M630 HydrophobicContact CE3-CE 4.06Å; W538-M630 HydrophobicContact CH2-CE 3.78Å; W538-M630 HydrophobicContact CZ2-CE 3.56Å; W538-M630 HydrophobicContact CZ3-CE 4.01Å; R561-M630 VanDerWaalsContact CA-O 3.29Å; R561-M630 WeakPolarHBondContact CA-O 3.49Å; L562-M630 HydrophobicContact CB-CB 4.4Å; L562-M630 PolarHBondContact N-O 2.87Å; L562-M630 PolarHBondContact O-N 2.79Å; F628-M630 HydrophobicContact CE1-CB 3.7Å; F628-M630 HydrophobicContact CZ-CB 3.94Å; M630-L632 HydrophobicContact CE-CD2 3.67Å; M630-L632 HydrophobicContact CG-CD2 3.94Å; M630-L632 HydrophobicContact SD-CD2 3.7Å; M630-I651 HydrophobicContact CG-CG1 4.18Å; M630-F741 HydrophobicContact CE-CD1 4.49Å; M630-F741 HydrophobicContact CE-CE1 3.85Å; M630-F741 HydrophobicContact SD-CD1 4.18Å; M630-F741 HydrophobicContact SD-CE1 3.9Å
631V87.3Confident79.1Confident36 Ų3638.4 Ų38.422%0.21823%0.234CC..EExtended strand (participates in β ladder)trans-87.3130.2168.3-177.20000108.3R561 P633 L650R561-V631 HydrophobicContact CG-CG2 4.5Å; V631-P633 WeakPolarHBondContact O-CD 3.47Å; V631-L650 PolarHBondContact N-O 2.84Å
632L84Confident77.2Confident2 Ų238.1 Ų38.11%0.0123%0.233CC..  trans-105.386.7177.4-51.5171.2000107.5L535 F537 W538 L556 P559 V560 M630 W674L535-L632 HydrophobicContact CD2-CD2 4.48Å; F537-L632 HydrophobicContact CE2-CD1 3.94Å; F537-L632 HydrophobicContact CZ-CD1 3.59Å; W538-L632 HydrophobicContact CB-CD2 4.4Å; W538-L632 HydrophobicContact CD2-CD2 4.45Å; W538-L632 HydrophobicContact CG-CD2 3.91Å; L556-L632 HydrophobicContact CD2-CB 3.85Å; P559-L632 HydrophobicContact CG-CD1 4.44Å; V560-L632 WeakPolarHBondContact O-CA 3.12Å; V560-L632 WeakPolarHBondContact O-CB 3.41Å; V560-L632 PolarHBondContact O-N 2.87Å; M630-L632 HydrophobicContact CE-CD2 3.67Å; M630-L632 HydrophobicContact CG-CD2 3.94Å; M630-L632 HydrophobicContact SD-CD2 3.7Å; L632-W674 HydrophobicContact CD1-CZ3 4.28Å
633P70.5Confident75.5Confident5 Ų543.9 Ų43.93%0.03226%0.26CS..  trans-69.2151.7-169.930-39.3000112.5V631 D637 L638 L650V631-P633 WeakPolarHBondContact O-CD 3.47Å; P633-D637 HydrophobicContact CB-CB 3.85Å; P633-L638 HydrophobicContact CB-CD2 3.67Å; P633-L638 HydrophobicContact CB-CG 4.19Å; P633-L638 HydrophobicContact CG-CD2 3.3Å; P633-L638 HydrophobicContact CG-CG 4.13Å; P633-L650 HydrophobicContact CG-CD1 3.45Å; P633-L650 VanDerWaalsContact CG-CD1 3.45Å; P633-L650 HydrophobicContact CG-CD2 4.23Å; P633-L650 HydrophobicContact CG-CG 4.45Å
634N67.9Low73.8Confident27 Ų2742.7 Ų42.714%0.14425%0.248CC..  trans-77.2160.8164.7-85.7-60.3000111.6L556 S636 D637 L638L556-N634 VanDerWaalsContact CA-OD1 3.32Å; L556-N634 WeakPolarHBondContact CA-OD1 3.33Å; L556-N634 PolarHBondContact N-OD1 3.03Å; L556-N634 PolarHBondContact O-ND2 3.33Å; L556-N634 PolarHBondContact O-OD1 3.49Å; N634-S636 PolarHBondContact O-N 2.77Å; N634-S636 VanDerWaalsContact O-N 3.13Å; N634-D637 PolarHBondContact N-OD2 3.22Å; N634-D637 WeakPolarHBondContact O-CB 3.4Å; N634-D637 PolarHBondContact O-N 3.49Å; N634-L638 WeakPolarHBondContact O-CG 3.43Å; N634-L638 PolarHBondContact O-N 3.16Å
635S62.7Low72.2Confident5 Ų545 Ų454%0.03526%0.258CS..Hα-helixtrans-50.2-36.8171.757.20000113Y551 L554 D637 L638Y551-S635 WeakPolarHBondContact O-CB 3.43Å; Y551-S635 PolarHBondContact O-OG 2.96Å; L554-S635 WeakPolarHBondContact O-CB 3.32Å; L554-S635 PolarHBondContact O-OG 3.04Å; S635-D637 VanDerWaalsContact C-N 3.31Å; S635-D637 PolarHBondContact O-N 3.39Å; S635-L638 PolarHBondContact O-N 2.64Å
636S58.5Low70.7Confident84 Ų8445.3 Ų45.359%0.58726%0.259SS*.Hα-helixtrans-64.5-30.617656.10000114.1N634N634-S636 PolarHBondContact O-N 2.77Å; N634-S636 VanDerWaalsContact O-N 3.13Å
637D56.9Low69.4Low110 Ų11044.4 Ų44.459%0.58825%0.253SS*.Hα-helixtrans-82.1-21.8-177.6-55-32.9000111.8P633 N634 S635P633-D637 HydrophobicContact CB-CB 3.85Å; N634-D637 PolarHBondContact N-OD2 3.22Å; N634-D637 WeakPolarHBondContact O-CB 3.4Å; N634-D637 PolarHBondContact O-N 3.49Å; S635-D637 VanDerWaalsContact C-N 3.31Å; S635-D637 PolarHBondContact O-N 3.39Å
638L57.5Low68Low21 Ų2150.8 Ų50.811%0.1128%0.281CS..Hα-helixtrans-76.6-36-175.1-64.8-179.7000112L545 P633 N634 S635 F642L545-L638 HydrophobicContact CD1-CD1 3.9Å; P633-L638 HydrophobicContact CB-CD2 3.67Å; P633-L638 HydrophobicContact CB-CG 4.19Å; P633-L638 HydrophobicContact CG-CD2 3.3Å; P633-L638 HydrophobicContact CG-CG 4.13Å; N634-L638 WeakPolarHBondContact O-CG 3.43Å; N634-L638 PolarHBondContact O-N 3.16Å; S635-L638 PolarHBondContact O-N 2.64Å; L638-F642 HydrophobicContact CB-CB 3.71Å; L638-F642 HydrophobicContact CB-CD1 4.11Å; L638-F642 HydrophobicContact CB-CD2 4.27Å; L638-F642 HydrophobicContact CB-CG 3.79Å; L638-F642 HydrophobicContact CD1-CD1 3.85Å; L638-F642 HydrophobicContact CD1-CE1 4.06Å; L638-F642 HydrophobicContact CD1-CG 4.39Å; L638-F642 HydrophobicContact CD2-CD1 3.64Å; L638-F642 HydrophobicContact CD2-CD2 3.59Å; L638-F642 HydrophobicContact CD2-CE1 3.54Å; L638-F642 HydrophobicContact CD2-CE2 3.48Å; L638-F642 VanDerWaalsContact CD2-CE2 3.48Å; L638-F642 HydrophobicContact CD2-CG 3.66Å; L638-F642 HydrophobicContact CD2-CZ 3.46Å; L638-F642 VanDerWaalsContact CD2-CZ 3.46Å; L638-F642 HydrophobicContact CG-CD1 4.05Å; L638-F642 HydrophobicContact CG-CD2 4.47Å; L638-F642 HydrophobicContact CG-CE1 4.32Å; L638-F642 HydrophobicContact CG-CG 4.13Å; L638-F642 WeakPolarHBondContact O-CB 3.29Å
639G55.8Low66.7Low39 Ų3958.1 Ų58.140%0.40231%0.313SS..  trans72.7169.2-171.600000112.8D641G639-D641 PolarHBondContact O-N 3.19Å
640S56.7Low65.7Low89 Ų8958.9 Ų58.962%0.62232%0.317SS*.THydrogen-bonded Turntrans-65.1-25.9-174.155.80000114.5
641D55Low65.1Low139 Ų13960 Ų6074%0.74332%0.323SS*.THydrogen-bonded Turntrans-100.55.1-169-59.7-12.4000113.1G639 Q643G639-D641 PolarHBondContact O-N 3.19Å; D641-Q643 PolarHBondContact O-N 3.35Å
642F55.1Low64.8Low34 Ų3462.7 Ų62.715%0.14933%0.333CS..  trans-66121.5-178.3-173.4-100.8000111.7L638 D646 L650L638-F642 HydrophobicContact CB-CB 3.71Å; L638-F642 HydrophobicContact CB-CD1 4.11Å; L638-F642 HydrophobicContact CB-CD2 4.27Å; L638-F642 HydrophobicContact CB-CG 3.79Å; L638-F642 HydrophobicContact CD1-CD1 3.85Å; L638-F642 HydrophobicContact CD1-CE1 4.06Å; L638-F642 HydrophobicContact CD1-CG 4.39Å; L638-F642 HydrophobicContact CD2-CD1 3.64Å; L638-F642 HydrophobicContact CD2-CD2 3.59Å; L638-F642 HydrophobicContact CD2-CE1 3.54Å; L638-F642 HydrophobicContact CD2-CE2 3.48Å; L638-F642 VanDerWaalsContact CD2-CE2 3.48Å; L638-F642 HydrophobicContact CD2-CG 3.66Å; L638-F642 HydrophobicContact CD2-CZ 3.46Å; L638-F642 VanDerWaalsContact CD2-CZ 3.46Å; L638-F642 HydrophobicContact CG-CD1 4.05Å; L638-F642 HydrophobicContact CG-CD2 4.47Å; L638-F642 HydrophobicContact CG-CE1 4.32Å; L638-F642 HydrophobicContact CG-CG 4.13Å; L638-F642 WeakPolarHBondContact O-CB 3.29Å; F642-D646 HydrophobicContact CD2-CB 3.55Å; F642-D646 HydrophobicContact CE2-CB 3.35Å; F642-D646 HydrophobicContact CG-CB 4.36Å; F642-D646 HydrophobicContact CZ-CB 4.02Å; F642-L650 HydrophobicContact CE2-CD1 4.18Å; F642-L650 HydrophobicContact CZ-CD1 3.9Å
643Q60.9Low64.7Low126 Ų12665.6 Ų65.659%0.58935%0.353SS*.  trans-99152.8172.3-62.6-172.62.900110.3D641 T645 D646D641-Q643 PolarHBondContact O-N 3.35Å; Q643-T645 VanDerWaalsContact CB-OG1 3.32Å; Q643-T645 WeakPolarHBondContact CB-OG1 3.49Å; Q643-T645 PolarHBondContact O-N 3.04Å; Q643-D646 PolarHBondContact N-OD2 3.29Å; Q643-D646 WeakPolarHBondContact O-CA 3.42Å; Q643-D646 VanDerWaalsContact O-CB 3.25Å; Q643-D646 WeakPolarHBondContact O-CB 3.25Å; Q643-D646 PolarHBondContact O-N 2.96Å
644Y59.4Low65.4Low86 Ų8668.8 Ų68.834%0.33737%0.366SS..G310 helixtrans-50.7-32.4173.6-177.9-99.9000112.9D646 S647 I743 F744Y644-D646 VanDerWaalsContact C-N 3.28Å; Y644-D646 PolarHBondContact O-N 3.49Å; Y644-S647 VanDerWaalsContact O-CB 3.24Å; Y644-S647 WeakPolarHBondContact O-CB 3.5Å; Y644-S647 PolarHBondContact O-N 3.35Å; Y644-S647 PolarHBondContact O-OG 3.22Å; Y644-I743 HydrophobicContact CE1-CG2 4.19Å; Y644-I743 HydrophobicContact CE2-CG2 4.32Å; Y644-I743 PolarHBondContact OH-O 3.49Å; Y644-F744 HydrophobicContact CD1-CD1 4.46Å; Y644-F744 AromaticContact CD1-CE1 3.8Å; Y644-F744 HydrophobicContact CD1-CE1 3.8Å; Y644-F744 HydrophobicContact CD1-CZ 4.3Å; Y644-F744 AromaticContact CE1-CD1 3.61Å; Y644-F744 HydrophobicContact CE1-CD1 3.61Å; Y644-F744 AromaticContact CE1-CE1 3.39Å; Y644-F744 HydrophobicContact CE1-CE1 3.39Å; Y644-F744 HydrophobicContact CE1-CG 4.46Å; Y644-F744 HydrophobicContact CE1-CZ 4.07Å
645T60.3Low66.5Low82 Ų8274.2 Ų74.250%0.50339%0.39SS..G310 helixtrans-65-24.7175.149.20000114Q643 S647Q643-T645 VanDerWaalsContact CB-OG1 3.32Å; Q643-T645 WeakPolarHBondContact CB-OG1 3.49Å; Q643-T645 PolarHBondContact O-N 3.04Å; T645-S647 PolarHBondContact O-N 3Å
646D65.4Low68Low32 Ų3276.8 Ų76.817%0.17140%0.404CS..G310 helixtrans-73.1-14175.1-68.4-52.9000112.8F642 Q643 Y644 K648 K649F642-D646 HydrophobicContact CD2-CB 3.55Å; F642-D646 HydrophobicContact CE2-CB 3.35Å; F642-D646 HydrophobicContact CG-CB 4.36Å; F642-D646 HydrophobicContact CZ-CB 4.02Å; Q643-D646 PolarHBondContact N-OD2 3.29Å; Q643-D646 WeakPolarHBondContact O-CA 3.42Å; Q643-D646 VanDerWaalsContact O-CB 3.25Å; Q643-D646 WeakPolarHBondContact O-CB 3.25Å; Q643-D646 PolarHBondContact O-N 2.96Å; Y644-D646 VanDerWaalsContact C-N 3.28Å; Y644-D646 PolarHBondContact O-N 3.49Å; D646-K648 PolarHBondContact O-N 3.35Å; D646-K649 HydrophobicContact CB-CD 4.4Å; D646-K649 VanDerWaalsContact O-CB 3.3Å; D646-K649 WeakPolarHBondContact O-CB 3.44Å; D646-K649 PolarHBondContact O-N 3.37Å; D646-K649 WeakPolarHBondContact OD1-CE 3.23Å; D646-K649 IonicContact OD1-NZ 3.48Å; D646-K649 PolarHBondContact OD1-NZ 2.93Å
647S67.4Low69.8Low0 Ų075.6 Ų75.60%039%0.393CS..G310 helixtrans-56.8-26.1178.4-56.10000113Y644 T645 K649 L650 I743Y644-S647 VanDerWaalsContact O-CB 3.24Å; Y644-S647 WeakPolarHBondContact O-CB 3.5Å; Y644-S647 PolarHBondContact O-N 3.35Å; Y644-S647 PolarHBondContact O-OG 3.22Å; T645-S647 PolarHBondContact O-N 3Å; S647-K649 PolarHBondContact O-N 3.41Å; S647-L650 WeakPolarHBondContact O-CB 3.39Å; S647-L650 PolarHBondContact O-N 2.98Å; S647-L650 VanDerWaalsContact O-N 3.15Å; S647-I743 VanDerWaalsContact C-CD1 3.44Å
648K66.1Low71.6Confident134 Ų13470.6 Ų70.658%0.58337%0.366SS*.G310 helixtrans-60.7-28.2173.7-73-170.9176-172.70113.5D646 L650 I651 I743D646-K648 PolarHBondContact O-N 3.35Å; K648-L650 PolarHBondContact O-N 3.07Å; K648-I651 PolarHBondContact O-N 3.08Å; K648-I743 HydrophobicContact CB-CD1 4.32Å; K648-I743 HydrophobicContact CG-CD1 3.65Å
649K69.5Low73.3Confident153 Ų15372.6 Ų72.667%0.66538%0.38SS*.G310 helixtrans-70.1-17.3179-63.7171.7177.4161.90112.8D646 S647D646-K649 HydrophobicContact CB-CD 4.4Å; D646-K649 VanDerWaalsContact O-CB 3.3Å; D646-K649 WeakPolarHBondContact O-CB 3.44Å; D646-K649 PolarHBondContact O-N 3.37Å; D646-K649 WeakPolarHBondContact OD1-CE 3.23Å; D646-K649 IonicContact OD1-NZ 3.48Å; D646-K649 PolarHBondContact OD1-NZ 2.93Å; S647-K649 PolarHBondContact O-N 3.41Å
650L71.7Confident75.1Confident33 Ų3370.9 Ų70.917%0.17336%0.361CS..G310 helixtrans-92.9-4.9-176.5-54.4164.9000112.8V631 P633 F642 S647 K648V631-L650 PolarHBondContact N-O 2.84Å; P633-L650 HydrophobicContact CG-CD1 3.45Å; P633-L650 VanDerWaalsContact CG-CD1 3.45Å; P633-L650 HydrophobicContact CG-CD2 4.23Å; P633-L650 HydrophobicContact CG-CG 4.45Å; F642-L650 HydrophobicContact CE2-CD1 4.18Å; F642-L650 HydrophobicContact CZ-CD1 3.9Å; S647-L650 WeakPolarHBondContact O-CB 3.39Å; S647-L650 PolarHBondContact O-N 2.98Å; S647-L650 VanDerWaalsContact O-N 3.15Å; K648-L650 PolarHBondContact O-N 3.07Å
651I78.4Confident76.8Confident22 Ų2268.7 Ų68.711%0.11335%0.346CS..EExtended strand (participates in β ladder)trans-102.8128.3-179.9-60.8160.5000108.1F628 M630 K648 F741 I743F628-I651 HydrophobicContact CD2-CG2 4.26Å; F628-I651 HydrophobicContact CE2-CG2 3.42Å; F628-I651 VanDerWaalsContact CE2-CG2 3.42Å; F628-I651 HydrophobicContact CZ-CG2 3.93Å; M630-I651 HydrophobicContact CG-CG1 4.18Å; K648-I651 PolarHBondContact O-N 3.08Å; I651-F741 HydrophobicContact CD1-CB 4.37Å; I651-F741 HydrophobicContact CD1-CD1 3.46Å; I651-F741 VanDerWaalsContact CD1-CD1 3.46Å; I651-F741 HydrophobicContact CD1-CE1 4.22Å; I651-F741 HydrophobicContact CD1-CG 4.35Å; I651-F741 HydrophobicContact CG1-CD1 4.11Å; I651-I743 HydrophobicContact CD1-CD1 3.42Å; I651-I743 VanDerWaalsContact CD1-CD1 3.42Å; I651-I743 HydrophobicContact CD1-CG1 3.5Å; I651-I743 VanDerWaalsContact CD1-CG1 3.5Å
652H80.9Confident78.4Confident94 Ų9463.8 Ų63.844%0.43532%0.323SS..EExtended strand (participates in β ladder)trans-116.597.4174.5-60.6-54.3000109E629 K654E629-H652 HydrophobicContact CB-CB 4.45Å; E629-H652 PolarHBondContact N-O 2.76Å; E629-H652 PolarHBondContact O-N 3.05Å; H652-K654 PolarHBondContact O-N 3.14Å
653C82.4Confident80Confident63 Ų6366.3 Ų66.343%0.42635%0.345SS..EExtended strand (participates in β ladder)trans-69.1111.2166.7-55.90000107.9M739 D740C653-M739 PolarHBondContact SG-O 3.06Å; C653-M739 VanDerWaalsContact SG-O 3.4Å; C653-D740 PolarHBondContact SG-OD1 3.3Å
654K84.3Confident81.4Confident71 Ų7162.4 Ų62.431%0.30933%0.332SS..  trans-97.6107.5179.4-68.5-169.3-174.71770108.8V626 I627 E629 H652 N656V626-K654 HydrophobicContact CB-CD 4.35Å; V626-K654 HydrophobicContact CG1-CD 4.05Å; V626-K654 WeakPolarHBondContact O-CB 3.31Å; I627-K654 CarbonylContact C-O 3.58Å; I627-K654 WeakPolarHBondContact CA-O 3.43Å; I627-K654 PolarHBondContact O-N 3.42Å; I627-K654 VanDerWaalsContact O-N 3.16Å; E629-K654 WeakPolarHBondContact OE2-CE 3.39Å; E629-K654 IonicContact OE2-NZ 3.9Å; E629-K654 PolarHBondContact OE2-NZ 3.47Å; H652-K654 PolarHBondContact O-N 3.14Å; K654-N656 PolarHBondContact O-N 2.85Å
655Q91.1Very high83Confident141 Ų14158.5 Ų58.566%0.65932%0.317SS*.  trans-78.3110.5169.8-170.3177.20.700109.3S736 C738Q655-S736 WeakPolarHBondContact CG-OG 3.47Å; Q655-S736 PolarHBondContact NE2-OG 3.28Å; Q655-C738 HydrophobicContact CB-CB 4.35Å
656N95.4Very high84.6Confident59 Ų5955.1 Ų55.132%0.31630%0.295SS..EExtended strand (participates in β ladder)trans-117.6155.9176.3-87.2-40.8000111.1C625 V626 K654 S736 A737C625-N656 HydrophobicContact CB-CB 4.19Å; C625-N656 VanDerWaalsContact SG-CB 3.57Å; V626-N656 PolarHBondContact O-ND2 2.84Å; K654-N656 PolarHBondContact O-N 2.85Å; N656-S736 CarbonylContact O-C 3.56Å; N656-S736 WeakPolarHBondContact O-CA 3.3Å; N656-A737 PolarHBondContact N-O 2.81Å; N656-A737 PolarHBondContact O-N 2.85Å
657T95.2Very high86.1Confident59 Ų5953.6 Ų53.636%0.36229%0.287SS..EExtended strand (participates in β ladder)trans-109.2117.9175.5-590000109.5R734 I735 L755T657-R734 HydrophobicContact CG2-CB 4.07Å; T657-I735 CarbonylContact C-O 3.56Å; T657-I735 WeakPolarHBondContact CA-O 3.39Å; T657-L755 HydrophobicContact CG2-CD1 3.61Å
658L95Very high87.5Confident5 Ų553.6 Ų53.63%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-86.9129.5169.3-64162.8000108.6A566 L568 S622 D623 C625 R734 I735 A737A566-L658 HydrophobicContact CB-CD1 4.06Å; L568-L658 HydrophobicContact CD1-CB 3.84Å; L568-L658 HydrophobicContact CD2-CB 4.07Å; L568-L658 HydrophobicContact CD2-CD1 3.83Å; L568-L658 HydrophobicContact CG-CB 3.74Å; L568-L658 HydrophobicContact CG-CD1 4.13Å; L568-L658 HydrophobicContact CG-CG 4.41Å; S622-L658 WeakPolarHBondContact OG-CD2 3.33Å; D623-L658 WeakPolarHBondContact O-CD2 3.37Å; C625-L658 HydrophobicContact CB-CD2 4.41Å; C625-L658 WeakPolarHBondContact SG-CD2 3.47Å; L658-R734 CarbonylContact O-C 3.55Å; L658-R734 WeakPolarHBondContact O-CA 3.36Å; L658-I735 PolarHBondContact N-O 3.39Å; L658-I735 PolarHBondContact O-N 3.14Å; L658-A737 HydrophobicContact CD1-CB 4.05Å
659T94.2Very high89Confident64 Ų6447.2 Ų47.239%0.39326%0.259SS..EExtended strand (participates in β ladder)trans-111.8121.8176.2-55.10000108.7S622 L732 R734S622-T659 WeakPolarHBondContact CB-O 3.39Å; T659-L732 HydrophobicContact CG2-CB 4.41Å; T659-R734 HydrophobicContact CG2-CG 4Å
660A93.4Very high90.4Very high2 Ų239.9 Ų39.92%0.01723%0.228CC..  trans-74.4134.9179.700000110.6L568 R621 S662 V665 L732 L733L568-A660 HydrophobicContact CD1-CB 3.77Å; R621-A660 CarbonylContact O-C 3.54Å; R621-A660 WeakPolarHBondContact O-CA 3.42Å; A660-S662 VanDerWaalsContact C-N 3.34Å; A660-V665 HydrophobicContact CB-CG1 3.87Å; A660-L732 VanDerWaalsContact O-CD2 3.26Å; A660-L732 WeakPolarHBondContact O-CD2 3.47Å; A660-L733 HydrophobicContact CB-CB 3.89Å; A660-L733 HydrophobicContact CB-CD2 4.43Å; A660-L733 PolarHBondContact N-O 3.38Å
661S92.4Very high91.5Very high43 Ų4338.6 Ų38.630%0.30122%0.22SC..SBendtrans-83.4-9.8172.550.50000113.7R621 N702R621-S661 WeakPolarHBondContact CA-OG 3.21Å; R621-S661 PolarHBondContact O-N 3.09Å; R621-S661 PolarHBondContact O-OG 2.76Å; S661-N702 PolarHBondContact OG-OD1 3.23Å
662S89Confident92.4Very high36 Ų3637.6 Ų37.625%0.25222%0.215SC..  trans-150.7148.2-178.2177.50000110.3A660 S664 V665A660-S662 VanDerWaalsContact C-N 3.34Å; S662-S664 PolarHBondContact O-N 2.75Å; S662-S664 WeakPolarHBondContact OG-CB 3.44Å; S662-S664 PolarHBondContact OG-N 2.88Å; S662-S664 VanDerWaalsContact OG-N 3.11Å; S662-S664 PolarHBondContact OG-OG 2.88Å; S662-V665 WeakPolarHBondContact O-CG1 3.5Å
663S87.9Confident93Very high87 Ų8734.9 Ų34.961%0.60820%0.203SC*.THydrogen-bonded Turntrans-74.2-7.1170.955.20000113.6V665 I727S663-V665 VanDerWaalsContact C-N 3.26Å; S663-V665 PolarHBondContact O-N 2.81Å; S663-I727 WeakPolarHBondContact O-CG2 3.21Å
664S89.6Confident93.6Very high45 Ų4532 Ų3232%0.31518%0.183SC..THydrogen-bonded Turntrans-76.1-10.5176.965.40000114.4D570 R621 S662 N666D570-S664 VanDerWaalsContact OD2-CB 3.29Å; D570-S664 WeakPolarHBondContact OD2-CB 3.33Å; D570-S664 PolarHBondContact OD2-OG 2.76Å; R621-S664 PolarHBondContact NH2-OG 3.12Å; S662-S664 PolarHBondContact O-N 2.75Å; S662-S664 WeakPolarHBondContact OG-CB 3.44Å; S662-S664 PolarHBondContact OG-N 2.88Å; S662-S664 VanDerWaalsContact OG-N 3.11Å; S662-S664 PolarHBondContact OG-OG 2.88Å; S664-N666 PolarHBondContact O-N 3.36Å; S664-N666 PolarHBondContact O-ND2 3.34Å
665V93.5Very high94Very high4 Ų429.2 Ų29.22%0.02417%0.172CC..  trans-53.3134177.159.30000111.2L568 V569 R621 A660 S662 S663 F719 L733L568-V665 HydrophobicContact CB-CG2 3.83Å; L568-V665 HydrophobicContact CG-CG2 4.5Å; V569-V665 WeakPolarHBondContact O-CG2 3.4Å; R621-V665 HydrophobicContact CB-CB 4.23Å; R621-V665 HydrophobicContact CB-CG2 4.33Å; R621-V665 HydrophobicContact CG-CB 4.24Å; A660-V665 HydrophobicContact CB-CG1 3.87Å; S662-V665 WeakPolarHBondContact O-CG1 3.5Å; S663-V665 VanDerWaalsContact C-N 3.26Å; S663-V665 PolarHBondContact O-N 2.81Å; V665-F719 HydrophobicContact CB-CE2 4.33Å; V665-F719 HydrophobicContact CG1-CE2 4.01Å; V665-F719 HydrophobicContact CG2-CE2 3.73Å; V665-F719 HydrophobicContact CG2-CZ 3.93Å; V665-L733 HydrophobicContact CG1-CD2 3.59Å
666N94.3Very high93.8Very high10 Ų1022.7 Ų22.75%0.05314%0.141CC..  trans-138.93.4-173.553.458.5000114.2V569 D570 F571 W575 S664 F719V569-N666 PolarHBondContact O-N 3.47Å; V569-N666 VanDerWaalsContact O-N 3.08Å; D570-N666 PolarHBondContact OD1-ND2 3.19Å; F571-N666 WeakPolarHBondContact CB-OD1 3.28Å; F571-N666 WeakPolarHBondContact CD2-OD1 3.28Å; F571-N666 PolarHBondContact N-ND2 2.92Å; F571-N666 PolarHBondContact N-OD1 2.81Å; F571-N666 PolarHBondContact O-ND2 3.12Å; F571-N666 PolarHBondContact O-OD1 2.76Å; W575-N666 HydrophobicContact CB-CB 4.13Å; W575-N666 VanDerWaalsContact CD1-CG 3.5Å; W575-N666 HydrophobicContact CG-CB 4.09Å; S664-N666 PolarHBondContact O-N 3.36Å; S664-N666 PolarHBondContact O-ND2 3.34Å; N666-F719 WeakPolarHBondContact O-CB 3.39Å; N666-F719 PolarHBondContact O-N 3.5Å
667G96Very high92.9Very high0 Ų023.1 Ų23.10%014%0.143CC..EExtended strand (participates in β ladder)trans-168.2-177.4170.200000114.4V569 F717V569-G667 PolarHBondContact N-O 3.04Å; V569-G667 PolarHBondContact O-N 3.3Å; V569-G667 VanDerWaalsContact O-N 3.1Å; G667-F717 CarbonylContact C-O 3.48Å; G667-F717 WeakPolarHBondContact CA-O 3.38Å
668I97.4Very high91.6Very high0 Ų021.5 Ų21.50%013%0.133CC..EExtended strand (participates in β ladder)trans-125.5127.5175-49-177.2000107.8A566 I567 L568 L670 V716 F717 F719 I735 F752A566-I668 HydrophobicContact CB-CG2 3.83Å; I567-I668 VanDerWaalsContact O-CA 3.31Å; I567-I668 WeakPolarHBondContact O-CA 3.45Å; I567-I668 WeakPolarHBondContact O-CG2 3.38Å; L568-I668 HydrophobicContact CD2-CD1 4.11Å; L568-I668 HydrophobicContact CD2-CG1 3.78Å; I668-L670 HydrophobicContact CG2-CD1 4.47Å; I668-L670 HydrophobicContact CG2-CG 4.42Å; I668-V716 WeakPolarHBondContact O-CA 3.44Å; I668-F717 HydrophobicContact CB-CB 4.21Å; I668-F717 HydrophobicContact CB-CD1 4.46Å; I668-F717 HydrophobicContact CD1-CD1 3.83Å; I668-F717 HydrophobicContact CD1-CE1 4.47Å; I668-F717 HydrophobicContact CG1-CD1 3.95Å; I668-F717 PolarHBondContact N-O 2.5Å; I668-F717 PolarHBondContact O-N 3.45Å; I668-F719 HydrophobicContact CD1-CE1 4.17Å; I668-F719 HydrophobicContact CG1-CE1 3.71Å; I668-F719 HydrophobicContact CG1-CZ 4.31Å; I668-I735 HydrophobicContact CD1-CG2 4.25Å; I668-F752 HydrophobicContact CD1-CB 4.33Å; I668-F752 HydrophobicContact CD1-CD1 3.48Å; I668-F752 VanDerWaalsContact CD1-CD1 3.48Å; I668-F752 HydrophobicContact CD1-CD2 4.21Å; I668-F752 HydrophobicContact CD1-CE1 3.73Å; I668-F752 HydrophobicContact CD1-CE2 4.4Å; I668-F752 HydrophobicContact CD1-CG 3.75Å; I668-F752 HydrophobicContact CD1-CZ 4.19Å; I668-F752 HydrophobicContact CG2-CE1 4.39Å
669A97.9Very high90Very high0 Ų023.8 Ų23.80%015%0.148CC..EExtended strand (participates in β ladder)trans-95.6141.3169.600000110.1A566 I567 V569 F571 L613 W707 G715A566-A669 WeakPolarHBondContact CA-O 3.4Å; I567-A669 HydrophobicContact CG2-CB 3.94Å; I567-A669 PolarHBondContact N-O 2.94Å; I567-A669 PolarHBondContact O-N 2.92Å; V569-A669 HydrophobicContact CG2-CB 3.69Å; F571-A669 HydrophobicContact CZ-CB 4.36Å; L613-A669 HydrophobicContact CD1-CB 3.52Å; A669-W707 HydrophobicContact CB-CH2 3.7Å; A669-W707 HydrophobicContact CB-CZ2 3.64Å; A669-G715 CarbonylContact C-O 3.6Å
670L97.5Very high88.2Confident0 Ų023.2 Ų23.20%015%0.15CC..EExtended strand (participates in β ladder)trans-129.6138.8-178.5-58.2109.6000111.3W532 I564 Y565 A566 I608 I627 I668 G715 M739 F752W532-L670 HydrophobicContact CH2-CB 3.68Å; W532-L670 HydrophobicContact CH2-CD2 4.14Å; W532-L670 HydrophobicContact CH2-CG 4.34Å; W532-L670 HydrophobicContact CZ3-CB 3.65Å; W532-L670 HydrophobicContact CZ3-CD2 4.49Å; I564-L670 HydrophobicContact CG2-CD2 4.4Å; Y565-L670 VanDerWaalsContact O-CA 3.27Å; Y565-L670 WeakPolarHBondContact O-CA 3.41Å; A566-L670 HydrophobicContact CB-CD2 4.33Å; I608-L670 HydrophobicContact CD1-CD1 3.73Å; I608-L670 HydrophobicContact CG2-CD1 4.27Å; I627-L670 HydrophobicContact CD1-CD2 3.66Å; I668-L670 HydrophobicContact CG2-CD1 4.47Å; I668-L670 HydrophobicContact CG2-CG 4.42Å; L670-G715 PolarHBondContact N-O 3.49Å; L670-G715 PolarHBondContact O-N 3.05Å; L670-M739 HydrophobicContact CD2-CE 4.15Å; L670-F752 HydrophobicContact CD1-CZ 4.24Å; L670-F752 HydrophobicContact CD2-CZ 4.01Å
671W96.5Very high86.3Confident6 Ų627.2 Ų27.22%0.02318%0.175CC..EExtended strand (participates in β ladder)trans-146.3167.9172.572.698000110.2I564 Y565 I567 A624 A693 P695 W707I564-W671 WeakPolarHBondContact CA-O 3.49Å; Y565-W671 VanDerWaalsContact CB-CE2 3.47Å; Y565-W671 VanDerWaalsContact CB-CZ2 3.41Å; Y565-W671 HydrophobicContact CD1-CH2 4.45Å; Y565-W671 AromaticContact CD1-CZ2 3.95Å; Y565-W671 HydrophobicContact CD1-CZ2 3.95Å; Y565-W671 HydrophobicContact CD2-CZ2 4.27Å; Y565-W671 AromaticContact CD2-NE1 3.8Å; Y565-W671 AromaticContact CG-CE2 3.78Å; Y565-W671 HydrophobicContact CG-CH2 4.23Å; Y565-W671 AromaticContact CG-CZ2 3.63Å; Y565-W671 HydrophobicContact CG-CZ2 3.63Å; Y565-W671 PolarHBondContact N-O 3.34Å; Y565-W671 PolarHBondContact O-N 3.29Å; I567-W671 HydrophobicContact CB-CH2 4.46Å; I567-W671 HydrophobicContact CB-CZ3 4.15Å; I567-W671 HydrophobicContact CG2-CH2 4.39Å; I567-W671 HydrophobicContact CG2-CZ3 3.72Å; A624-W671 HydrophobicContact CB-CH2 3.55Å; A624-W671 HydrophobicContact CB-CZ2 4.14Å; W671-A693 HydrophobicContact CB-CB 4.49Å; W671-P695 HydrophobicContact CZ2-CG 4.26Å; W671-W707 HydrophobicContact CD2-CZ3 4.35Å; W671-W707 AromaticContact CE3-CH2 3.94Å; W671-W707 HydrophobicContact CE3-CH2 3.94Å; W671-W707 AromaticContact CE3-CZ3 3.91Å; W671-W707 HydrophobicContact CE3-CZ3 3.91Å; W671-W707 HydrophobicContact CZ3-CH2 4.02Å; W671-W707 HydrophobicContact CZ3-CZ3 4.33Å
672C95.4Very high84.3Confident1 Ų132.9 Ų32.91%0.00720%0.196CC..EExtended strand (participates in β ladder)trans-115.9155176.470.40000112.7P531 L562 R563 I564 W674P531-C672 VanDerWaalsContact C-SG 3.54Å; P531-C672 HydrophobicContact CB-CB 4.13Å; P531-C672 WeakPolarHBondContact CB-SG 3.29Å; P531-C672 PolarHBondContact O-SG 3.33Å; L562-C672 HydrophobicContact CD1-CB 3.67Å; R563-C672 CarbonylContact O-C 3.27Å; R563-C672 WeakPolarHBondContact O-CA 3.49Å; R563-C672 WeakPolarHBondContact O-CB 3.24Å; I564-C672 HydrophobicContact CG1-CB 4.23Å; C672-W674 PolarHBondContact SG-NE1 2.88Å; C672-W674 VanDerWaalsContact SG-NE1 3.41Å
673E94.6Very high82.4Confident37 Ų3737.1 Ų37.117%0.17321%0.212CC..EExtended strand (participates in β ladder)trans-127.5139.9168.9-51.1-170.5141.100109.6R563 Y565 W689 Y690 A691R563-E673 PolarHBondContact N-O 2.98Å; R563-E673 PolarHBondContact O-N 3.23Å; Y565-E673 HydrophobicContact CD2-CG 3.99Å; Y565-E673 HydrophobicContact CE2-CB 4.27Å; Y565-E673 HydrophobicContact CE2-CG 3.54Å; Y565-E673 WeakPolarHBondContact CE2-OE2 3.3Å; Y565-E673 VanDerWaalsContact CZ-OE2 3.27Å; Y565-E673 PolarHBondContact OH-OE2 3.47Å; E673-W689 HydrophobicContact CB-CB 4.43Å; E673-W689 HydrophobicContact CB-CE3 3.84Å; E673-Y690 WeakPolarHBondContact CA-O 3.12Å; E673-A691 HydrophobicContact CB-CB 4.38Å; E673-A691 HydrophobicContact CG-CB 3.76Å
674W94.1Very high80.8Confident1 Ų139.4 Ų39.40%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-112.1129.2-179.8-59.997.4000109.8P523 L535 F537 P559 R561 L562 L632 C672 Y676 W689 Y690P523-W674 HydrophobicContact CB-CD2 4.09Å; P523-W674 HydrophobicContact CB-CE3 4.43Å; P523-W674 HydrophobicContact CB-CH2 4.03Å; P523-W674 HydrophobicContact CB-CZ2 3.66Å; P523-W674 HydrophobicContact CB-CZ3 4.4Å; P523-W674 HydrophobicContact CG-CD2 3.6Å; P523-W674 VanDerWaalsContact CG-CE2 3.45Å; P523-W674 HydrophobicContact CG-CE3 4.26Å; P523-W674 HydrophobicContact CG-CG 3.73Å; P523-W674 HydrophobicContact CG-CZ2 4Å; L535-W674 HydrophobicContact CD2-CH2 3.74Å; L535-W674 HydrophobicContact CD2-CZ3 3.92Å; L535-W674 HydrophobicContact CG-CH2 4.12Å; F537-W674 HydrophobicContact CE1-CH2 4.15Å; F537-W674 AromaticContact CE1-CZ3 3.92Å; F537-W674 HydrophobicContact CE1-CZ3 3.92Å; F537-W674 AromaticContact CZ-CZ3 3.94Å; F537-W674 HydrophobicContact CZ-CZ3 3.94Å; P559-W674 HydrophobicContact CB-CB 4.03Å; P559-W674 HydrophobicContact CB-CE3 4.09Å; P559-W674 HydrophobicContact CG-CD2 4.34Å; P559-W674 HydrophobicContact CG-CE3 3.7Å; P559-W674 HydrophobicContact CG-CZ3 4.28Å; R561-W674 WeakPolarHBondContact O-CA 3.21Å; L562-W674 HydrophobicContact CB-CE3 3.97Å; L562-W674 HydrophobicContact CB-CH2 4.43Å; L562-W674 HydrophobicContact CB-CZ3 3.79Å; L562-W674 HydrophobicContact CD1-CD2 4.03Å; L562-W674 HydrophobicContact CD1-CE3 3.98Å; L562-W674 HydrophobicContact CD1-CH2 3.83Å; L562-W674 HydrophobicContact CD1-CZ2 3.85Å; L562-W674 HydrophobicContact CD1-CZ3 3.89Å; L562-W674 HydrophobicContact CD2-CH2 3.96Å; L562-W674 HydrophobicContact CD2-CZ3 4.11Å; L562-W674 HydrophobicContact CG-CE3 4.49Å; L562-W674 HydrophobicContact CG-CH2 4.3Å; L562-W674 HydrophobicContact CG-CZ3 4.14Å; L632-W674 HydrophobicContact CD1-CZ3 4.28Å; C672-W674 PolarHBondContact SG-NE1 2.88Å; C672-W674 VanDerWaalsContact SG-NE1 3.41Å; W674-Y676 HydrophobicContact CB-CD2 4.17Å; W674-Y676 HydrophobicContact CB-CE2 3.55Å; W674-Y676 WeakPolarHBondContact O-CD2 3.46Å; W674-W689 WeakPolarHBondContact O-CA 3.48Å; W674-Y690 PolarHBondContact N-O 2.94Å; W674-Y690 PolarHBondContact O-N 3.13Å
675L92.7Very high79.2Confident14 Ų1441.5 Ų41.57%0.07324%0.239CC..EExtended strand (participates in β ladder)trans-83.6121.1172.7179.457.2000109.3P559 V560 R561 T687 W688 W689P559-L675 WeakPolarHBondContact CA-O 3.42Å; P559-L675 WeakPolarHBondContact CB-O 3.39Å; V560-L675 HydrophobicContact CG2-CB 4.22Å; V560-L675 HydrophobicContact CG2-CD2 3.96Å; V560-L675 HydrophobicContact CG2-CG 3.83Å; V560-L675 PolarHBondContact N-O 2.95Å; R561-L675 HydrophobicContact CB-CB 3.76Å; R561-L675 HydrophobicContact CB-CD2 4.21Å; R561-L675 HydrophobicContact CG-CB 4.33Å; R561-L675 HydrophobicContact CG-CD2 3.89Å; R561-L675 PolarHBondContact O-N 3.15Å; L675-T687 HydrophobicContact CD1-CG2 4.18Å; L675-W688 WeakPolarHBondContact CD1-O 3.48Å; L675-W689 HydrophobicContact CB-CD2 4.07Å; L675-W689 HydrophobicContact CB-CE3 3.87Å; L675-W689 HydrophobicContact CB-CH2 3.73Å; L675-W689 HydrophobicContact CB-CZ2 3.91Å; L675-W689 HydrophobicContact CB-CZ3 3.7Å; L675-W689 HydrophobicContact CD1-CD2 4.29Å; L675-W689 HydrophobicContact CD1-CZ2 4.33Å; L675-W689 HydrophobicContact CD2-CH2 4.38Å; L675-W689 HydrophobicContact CD2-CZ2 4.02Å; L675-W689 HydrophobicContact CG-CZ2 4.31Å
676Y87.5Confident77.8Confident4 Ų445.1 Ų45.12%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-100.4141.1175.4-75.1-95.8000111.4F414 I418 P523 S558 P559 W674 T678 W688 Y690F414-Y676 HydrophobicContact CD2-CD1 4.26Å; F414-Y676 HydrophobicContact CD2-CE1 4.09Å; F414-Y676 HydrophobicContact CD2-CE2 4.42Å; F414-Y676 AromaticContact CE2-CD1 3.56Å; F414-Y676 HydrophobicContact CE2-CD1 3.56Å; F414-Y676 AromaticContact CE2-CE1 3.15Å; F414-Y676 HydrophobicContact CE2-CE1 3.15Å; F414-Y676 HydrophobicContact CE2-CE2 4.16Å; F414-Y676 HydrophobicContact CE2-CG 4.3Å; F414-Y676 AromaticContact CE2-CZ 3.43Å; F414-Y676 VanDerWaalsContact CE2-CZ 3.43Å; F414-Y676 AromaticContact CZ-CE1 3.79Å; F414-Y676 HydrophobicContact CZ-CE1 3.79Å; I418-Y676 HydrophobicContact CD1-CD1 3.68Å; I418-Y676 HydrophobicContact CD1-CE1 3.82Å; I418-Y676 HydrophobicContact CG1-CD1 4.25Å; P523-Y676 WeakPolarHBondContact CD-OH 3.41Å; S558-Y676 VanDerWaalsContact OG-CA 3.3Å; S558-Y676 WeakPolarHBondContact OG-CA 3.45Å; S558-Y676 WeakPolarHBondContact OG-CD1 3.43Å; P559-Y676 HydrophobicContact CB-CE1 4.21Å; P559-Y676 HydrophobicContact CB-CE2 4.39Å; W674-Y676 HydrophobicContact CB-CD2 4.17Å; W674-Y676 HydrophobicContact CB-CE2 3.55Å; W674-Y676 WeakPolarHBondContact O-CD2 3.46Å; Y676-T678 PolarHBondContact O-N 2.84Å; Y676-T678 VanDerWaalsContact O-N 3.09Å; Y676-W688 HydrophobicContact CD2-CE3 4.37Å; Y676-W688 AromaticContact CD2-CZ3 3.93Å; Y676-W688 HydrophobicContact CD2-CZ3 3.93Å; Y676-W688 HydrophobicContact CG-CE3 4.33Å; Y676-W688 AromaticContact CG-CZ3 3.97Å; Y676-W688 HydrophobicContact CG-CZ3 3.97Å; Y676-W688 PolarHBondContact N-O 3.22Å; Y676-Y690 AromaticContact CE2-CD1 3.93Å; Y676-Y690 HydrophobicContact CE2-CD1 3.93Å; Y676-Y690 HydrophobicContact CE2-CG 4.16Å
677N77.9Confident77Confident68 Ų6848.8 Ų48.836%0.36428%0.279SS..  trans-78.792.4175.1-168.86.5000109.4S421 F557 S558 V560S421-N677 VanDerWaalsContact CB-O 3.23Å; S421-N677 WeakPolarHBondContact CB-O 3.33Å; S421-N677 PolarHBondContact OG-O 3.03Å; F557-N677 WeakPolarHBondContact O-CB 3.39Å; S558-N677 PolarHBondContact OG-N 3.19Å; V560-N677 HydrophobicContact CG1-CB 4.41Å
678T67.5Low76.5Confident25 Ų2551.2 Ų51.215%0.15329%0.288CS..  trans-113.9152.5179.359.20000111K417 S421 Y676 A680 W688K417-T678 HydrophobicContact CB-CG2 3.91Å; S421-T678 WeakPolarHBondContact OG-CA 3.49Å; Y676-T678 PolarHBondContact O-N 2.84Å; Y676-T678 VanDerWaalsContact O-N 3.09Å; T678-A680 PolarHBondContact O-N 3.27Å; T678-W688 HydrophobicContact CG2-CE3 3.92Å
679P61.7Low76.2Confident52 Ų5253.5 Ų53.534%0.33830%0.297SS..  trans-60.8140.2172.3-15.331.4000109.2S421 T681S421-P679 WeakPolarHBondContact OG-CD 3.15Å; P679-T681 PolarHBondContact O-N 3.1Å; P679-T681 VanDerWaalsContact O-N 3.15Å
680A56Low75.9Confident52 Ų5254 Ų5443%0.4330%0.299SS..  trans-53.5119.6170.600000110.1T678 Q683T678-A680 PolarHBondContact O-N 3.27Å; A680-Q683 WeakPolarHBondContact CB-O 3.41Å
681T52.3Low75.7Confident87 Ų8754.6 Ų54.653%0.53430%0.303SS..SBendtrans-81.4-37.917934.20000112.2P679 E686P679-T681 PolarHBondContact O-N 3.1Å; P679-T681 VanDerWaalsContact O-N 3.15Å; T681-E686 PolarHBondContact N-OE2 2.96Å; T681-E686 PolarHBondContact OG1-OE1 3.01Å; T681-E686 PolarHBondContact OG1-OE2 2.9Å
682H50.9Low75.3Confident161 Ų16154.8 Ų54.875%0.74531%0.305SS*.SBendtrans-129.4-38.7-178-61.8-64.5000113.7E686H682-E686 WeakPolarHBondContact CB-OE2 3.39Å; H682-E686 IonicContact CD2-OE1 3.79Å; H682-E686 IonicContact CD2-OE2 3.21Å; H682-E686 IonicContact CG-OE2 2.8Å; H682-E686 PolarHBondContact N-OE2 3.49Å
683Q49.7Very low75.2Confident125 Ų12554.8 Ų54.858%0.58431%0.305SS*.  trans-134.3143.6-179.9-66.9-172.4-5.800111.7A680 S685 E686A680-Q683 WeakPolarHBondContact CB-O 3.41Å; Q683-S685 PolarHBondContact O-N 3.49Å; Q683-E686 VanDerWaalsContact O-CB 3.24Å; Q683-E686 WeakPolarHBondContact O-CB 3.33Å; Q683-E686 PolarHBondContact O-N 3.34Å
684P53.3Low75.1Confident135 Ų13553 Ų5388%0.87730%0.297SS*.THydrogen-bonded Turntrans-55.4-22.6179-24.732.9000115.1
685S57Low75.1Confident90 Ų9054.1 Ų54.163%0.62930%0.304SS*.THydrogen-bonded Turntrans-94.90.8178.756.30000114.4Q683 T687Q683-S685 PolarHBondContact O-N 3.49Å; S685-T687 PolarHBondContact O-N 3.13Å
686E63.4Low75Confident80 Ų8057 Ų5737%0.37432%0.32SS..  trans-71.5115.3-176.7-170175.6-163.300110.7T681 H682 Q683T681-E686 PolarHBondContact N-OE2 2.96Å; T681-E686 PolarHBondContact OG1-OE1 3.01Å; T681-E686 PolarHBondContact OG1-OE2 2.9Å; H682-E686 WeakPolarHBondContact CB-OE2 3.39Å; H682-E686 IonicContact CD2-OE1 3.79Å; H682-E686 IonicContact CD2-OE2 3.21Å; H682-E686 IonicContact CG-OE2 2.8Å; H682-E686 PolarHBondContact N-OE2 3.49Å; Q683-E686 VanDerWaalsContact O-CB 3.24Å; Q683-E686 WeakPolarHBondContact O-CB 3.33Å; Q683-E686 PolarHBondContact O-N 3.34Å
687T77.6Confident74.9Confident86 Ų8662.8 Ų62.853%0.52835%0.345SS..  trans-102.1134.417656.90000110.5L675 S685 W689L675-T687 HydrophobicContact CD1-CG2 4.18Å; S685-T687 PolarHBondContact O-N 3.13Å; T687-W689 PolarHBondContact OG1-NE1 2.94Å
688W85.7Confident75.1Confident52 Ų5267 Ų6720%0.19737%0.366CS..EExtended strand (participates in β ladder)trans-105.9116.3176.9-175.766.4000111.4F414 K417 L675 Y676 T678 Y690F414-W688 HydrophobicContact CB-CH2 3.8Å; F414-W688 AromaticContact CD2-CH2 3.93Å; F414-W688 HydrophobicContact CD2-CH2 3.93Å; F414-W688 AromaticContact CD2-CZ3 3.94Å; F414-W688 HydrophobicContact CD2-CZ3 3.94Å; F414-W688 HydrophobicContact CG-CH2 4.36Å; K417-W688 HydrophobicContact CD-CD2 3.87Å; K417-W688 HydrophobicContact CD-CE3 4.1Å; K417-W688 HydrophobicContact CD-CG 4.3Å; K417-W688 HydrophobicContact CD-CZ2 4.35Å; K417-W688 HydrophobicContact CD-CZ3 4.47Å; L675-W688 WeakPolarHBondContact CD1-O 3.48Å; Y676-W688 HydrophobicContact CD2-CE3 4.37Å; Y676-W688 AromaticContact CD2-CZ3 3.93Å; Y676-W688 HydrophobicContact CD2-CZ3 3.93Å; Y676-W688 HydrophobicContact CG-CE3 4.33Å; Y676-W688 AromaticContact CG-CZ3 3.97Å; Y676-W688 HydrophobicContact CG-CZ3 3.97Å; Y676-W688 PolarHBondContact N-O 3.22Å; T678-W688 HydrophobicContact CG2-CE3 3.92Å; W688-Y690 AromaticContact CH2-CD2 3.74Å; W688-Y690 HydrophobicContact CH2-CD2 3.74Å; W688-Y690 AromaticContact CH2-CG 3.89Å; W688-Y690 HydrophobicContact CH2-CG 3.89Å; W688-Y690 AromaticContact CZ2-CD2 3.96Å; W688-Y690 HydrophobicContact CZ2-CD2 3.96Å; W688-Y690 HydrophobicContact CZ2-CG 4.43Å
689W91.1Very high75.7Confident48 Ų4867 Ų6718%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-99.2133.7176.7-65.784.1000109.9R561 R563 E673 W674 L675 T687R561-W689 HydrophobicContact CB-CH2 3.82Å; R561-W689 HydrophobicContact CB-CZ3 4.23Å; R563-W689 HydrophobicContact CB-CZ3 4.16Å; R563-W689 VanDerWaalsContact CD-CH2 3.47Å; R563-W689 HydrophobicContact CG-CH2 3.74Å; R563-W689 HydrophobicContact CG-CZ3 3.69Å; R563-W689 VanDerWaalsContact NE-CH2 3.29Å; E673-W689 HydrophobicContact CB-CB 4.43Å; E673-W689 HydrophobicContact CB-CE3 3.84Å; W674-W689 WeakPolarHBondContact O-CA 3.48Å; L675-W689 HydrophobicContact CB-CD2 4.07Å; L675-W689 HydrophobicContact CB-CE3 3.87Å; L675-W689 HydrophobicContact CB-CH2 3.73Å; L675-W689 HydrophobicContact CB-CZ2 3.91Å; L675-W689 HydrophobicContact CB-CZ3 3.7Å; L675-W689 HydrophobicContact CD1-CD2 4.29Å; L675-W689 HydrophobicContact CD1-CZ2 4.33Å; L675-W689 HydrophobicContact CD2-CH2 4.38Å; L675-W689 HydrophobicContact CD2-CZ2 4.02Å; L675-W689 HydrophobicContact CG-CZ2 4.31Å; T687-W689 PolarHBondContact OG1-NE1 2.94Å
690Y91.9Very high77.1Confident11 Ų1167.8 Ų67.84%0.04337%0.37CS..EExtended strand (participates in β ladder)trans-113127.1176179.9-116000109.7E405 D410 F414 E673 W674 Y676 W688 P692E405-Y690 PolarHBondContact OE1-OH 3.23Å; E405-Y690 VanDerWaalsContact OE1-OH 3.13Å; D410-Y690 HydrophobicContact CB-CE2 4.28Å; F414-Y690 HydrophobicContact CB-CD2 4.38Å; F414-Y690 HydrophobicContact CB-CE2 4.2Å; F414-Y690 HydrophobicContact CG-CE1 4.48Å; E673-Y690 WeakPolarHBondContact CA-O 3.12Å; W674-Y690 PolarHBondContact N-O 2.94Å; W674-Y690 PolarHBondContact O-N 3.13Å; Y676-Y690 AromaticContact CE2-CD1 3.93Å; Y676-Y690 HydrophobicContact CE2-CD1 3.93Å; Y676-Y690 HydrophobicContact CE2-CG 4.16Å; W688-Y690 AromaticContact CH2-CD2 3.74Å; W688-Y690 HydrophobicContact CH2-CD2 3.74Å; W688-Y690 AromaticContact CH2-CG 3.89Å; W688-Y690 HydrophobicContact CH2-CG 3.89Å; W688-Y690 AromaticContact CZ2-CD2 3.96Å; W688-Y690 HydrophobicContact CZ2-CD2 3.96Å; W688-Y690 HydrophobicContact CZ2-CG 4.43Å; Y690-P692 HydrophobicContact CD1-CG 4.43Å; Y690-P692 HydrophobicContact CE1-CB 3.87Å; Y690-P692 HydrophobicContact CE1-CG 4.05Å
691A93.3Very high78.9Confident12 Ų1268.5 Ų68.510%0.09937%0.366CS..  trans-125.285.4-174.800000109.1E673 A693 G694 K708E673-A691 HydrophobicContact CB-CB 4.38Å; E673-A691 HydrophobicContact CG-CB 3.76Å; A691-A693 VanDerWaalsContact C-N 3.3Å; A691-A693 PolarHBondContact O-N 3.24Å; A691-G694 PolarHBondContact O-N 3.29Å; A691-K708 VanDerWaalsContact O-CD 3.28Å; A691-K708 WeakPolarHBondContact O-CD 3.3Å; A691-K708 VanDerWaalsContact O-CE 3.31Å; A691-K708 WeakPolarHBondContact O-CE 3.34Å; A691-K708 PolarHBondContact O-NZ 2.69Å
692P89Confident81Confident10 Ų1068.1 Ų68.17%0.06536%0.361CS..THydrogen-bonded Turntrans-63.3-36.3-176.523.2-31.6000112.2E405 Y690 K708E405-P692 WeakPolarHBondContact OE1-CB 3.42Å; Y690-P692 HydrophobicContact CD1-CG 4.43Å; Y690-P692 HydrophobicContact CE1-CB 3.87Å; Y690-P692 HydrophobicContact CE1-CG 4.05Å; P692-K708 WeakPolarHBondContact O-CD 3.33Å
693A91.6Very high83.1Confident0 Ų064.5 Ų64.50%034%0.344CS..THydrogen-bonded Turntrans-97.77.5176.200000113.6P531 W671 A691 T712 Q714P531-A693 HydrophobicContact CB-CB 4.22Å; P531-A693 HydrophobicContact CG-CB 4.13Å; W671-A693 HydrophobicContact CB-CB 4.49Å; A691-A693 VanDerWaalsContact C-N 3.3Å; A691-A693 PolarHBondContact O-N 3.24Å; A693-T712 WeakPolarHBondContact CB-O 3.49Å; A693-Q714 HydrophobicContact CB-CG 4.47Å; A693-Q714 VanDerWaalsContact O-CG 3.25Å; A693-Q714 WeakPolarHBondContact O-CG 3.25Å; A693-Q714 PolarHBondContact O-NE2 2.91Å
694G93.5Very high85.3Confident0 Ų063 Ų630%035%0.346CS..SBendtrans-76175.8-176.100000114.2A691 K708A691-G694 PolarHBondContact O-N 3.29Å; G694-K708 WeakPolarHBondContact O-CB 3.43Å; G694-K708 VanDerWaalsContact O-CG 3.25Å; G694-K708 WeakPolarHBondContact O-CG 3.41Å; G694-K708 PolarHBondContact O-N 3.05Å
695P94.5Very high87.4Confident24 Ų2457.2 Ų57.216%0.15631%0.307CS..BIsolated β-bridgetrans-68.2149.4166.731.2-34.8000111.3W671 K697 T699 I705 S706 W707W671-P695 HydrophobicContact CZ2-CG 4.26Å; P695-K697 WeakPolarHBondContact CB-O 3.35Å; P695-K697 PolarHBondContact O-N 2.88Å; P695-T699 HydrophobicContact CB-CG2 4.17Å; P695-T699 HydrophobicContact CG-CG2 4.18Å; P695-I705 HydrophobicContact CB-CG2 3.9Å; P695-S706 CarbonylContact C-O 3.56Å; P695-S706 WeakPolarHBondContact CA-O 3.42Å; P695-W707 HydrophobicContact CB-CE3 4.32Å; P695-W707 HydrophobicContact CB-CZ3 4.42Å
696N89.5Confident89.1Confident75 Ų7554.5 Ų54.540%0.40129%0.288SS..SBendtrans-64.4-26.2177.5-76.4-24.7000113.1S706 W707 K708N696-S706 PolarHBondContact N-O 2.96Å; N696-S706 PolarHBondContact ND2-OG 3.26Å; N696-S706 VanDerWaalsContact ND2-OG 3.16Å; N696-W707 PolarHBondContact ND2-O 3.47Å; N696-K708 WeakPolarHBondContact OD1-CG 3.46Å
697K85.1Confident90.6Very high125 Ų12550.7 Ų50.754%0.54327%0.27SS..SBendtrans-144.4163.7179.861.7176-177.5171.20109.8P695 T699P695-K697 WeakPolarHBondContact CB-O 3.35Å; P695-K697 PolarHBondContact O-N 2.88Å; K697-T699 PolarHBondContact O-N 3.22Å
698I82Confident91.4Very high156 Ų15647.9 Ų47.980%0.825%0.25SS*.PPolyproline II helixtrans-53.9133.1172.7-61.1173.3000108.9
699T81.6Confident91.7Very high25 Ų2545.7 Ų45.715%0.15324%0.243CC..PPolyproline II helixtrans-75.2133.6179.747.30000110.7I567 P695 K697 I705I567-T699 HydrophobicContact CD1-CG2 4.05Å; P695-T699 HydrophobicContact CB-CG2 4.17Å; P695-T699 HydrophobicContact CG-CG2 4.18Å; K697-T699 PolarHBondContact O-N 3.22Å; T699-I705 HydrophobicContact CG2-CB 4.39Å; T699-I705 HydrophobicContact CG2-CD1 4.42Å; T699-I705 HydrophobicContact CG2-CG1 3.99Å; T699-I705 HydrophobicContact CG2-CG2 3.71Å
700T90.2Very high91.7Very high69 Ų6945.3 Ų45.342%0.42324%0.242SC..PPolyproline II helixtrans-100.6135.2170.8-38.50000108.8N702 E703T700-N702 PolarHBondContact O-N 3.24Å; T700-E703 VanDerWaalsContact CB-CD 3.45Å; T700-E703 WeakPolarHBondContact CB-OE2 3.43Å; T700-E703 HydrophobicContact CG2-CG 4.17Å; T700-E703 PolarHBondContact O-N 3.42Å; T700-E703 PolarHBondContact OG1-OE2 3.45Å
701L94.4Very high91.6Very high68 Ų6845 Ų4536%0.35624%0.242SC..THydrogen-bonded Turntrans-55135.5174.3-175.766000111.2R621 S622 E703R621-L701 VanDerWaalsContact C-CD1 3.49Å; S622-L701 VanDerWaalsContact CA-CD1 3.47Å; L701-E703 PolarHBondContact O-N 3.05Å
702N95.5Very high91.4Very high78 Ų7845.6 Ų45.642%0.41724%0.244SC..THydrogen-bonded Turntrans65.211-178.4-63.4-51.8000116.4A620 R621 S661 T700A620-N702 WeakPolarHBondContact O-CA 3.38Å; A620-N702 PolarHBondContact O-N 3.37Å; R621-N702 PolarHBondContact NH1-OD1 3.44Å; S661-N702 PolarHBondContact OG-OD1 3.23Å; T700-N702 PolarHBondContact O-N 3.24Å
703E96Very high91.6Very high86 Ų8648.4 Ų48.440%0.40226%0.257SS..SBendtrans-104.1157.5171.4-64.6-173.4171.700111.7A620 T700 L701A620-E703 PolarHBondContact N-O 3.25Å; T700-E703 VanDerWaalsContact CB-CD 3.45Å; T700-E703 WeakPolarHBondContact CB-OE2 3.43Å; T700-E703 HydrophobicContact CG2-CG 4.17Å; T700-E703 PolarHBondContact O-N 3.42Å; T700-E703 PolarHBondContact OG1-OE2 3.45Å; L701-E703 PolarHBondContact O-N 3.05Å
704P95.6Very high91.9Very high94 Ų9448.5 Ų48.561%0.6126%0.257SS*.  trans-60.2137.4169.4-23.234.4000112.2N618N618-P704 WeakPolarHBondContact O-CA 3.43Å
705I96.4Very high92Very high13 Ų1348.5 Ų48.57%0.06726%0.257CS..  trans-85.3122.9176.2-53.5167.7000108.7I567 V569 N618 A620 P695 T699 W707I567-I705 HydrophobicContact CD1-CD1 3.99Å; I567-I705 HydrophobicContact CG2-CD1 4.16Å; V569-I705 HydrophobicContact CG2-CD1 3.93Å; N618-I705 VanDerWaalsContact OD1-CB 3.27Å; N618-I705 WeakPolarHBondContact OD1-CB 3.42Å; N618-I705 PolarHBondContact OD1-N 3.25Å; A620-I705 HydrophobicContact CB-CD1 3.93Å; A620-I705 HydrophobicContact CB-CG1 3.77Å; P695-I705 HydrophobicContact CB-CG2 3.9Å; T699-I705 HydrophobicContact CG2-CB 4.39Å; T699-I705 HydrophobicContact CG2-CD1 4.42Å; T699-I705 HydrophobicContact CG2-CG1 3.99Å; T699-I705 HydrophobicContact CG2-CG2 3.71Å; I705-W707 HydrophobicContact CB-CD2 4.49Å; I705-W707 HydrophobicContact CB-CZ2 4.04Å; I705-W707 HydrophobicContact CD1-CH2 4.35Å; I705-W707 HydrophobicContact CD1-CZ2 3.56Å; I705-W707 HydrophobicContact CG1-CZ2 4.4Å; I705-W707 HydrophobicContact CG2-CD2 3.67Å; I705-W707 HydrophobicContact CG2-CE3 4.16Å; I705-W707 HydrophobicContact CG2-CG 4.16Å; I705-W707 HydrophobicContact CG2-CH2 4.07Å; I705-W707 HydrophobicContact CG2-CZ2 3.57Å; I705-W707 HydrophobicContact CG2-CZ3 4.33Å; I705-W707 PolarHBondContact O-N 3.27Å
706S93.7Very high92.1Very high33 Ų3347.5 Ų47.523%0.23125%0.251CS..  trans-85.293.4171.3-179.20000109.5P695 N696P695-S706 CarbonylContact C-O 3.56Å; P695-S706 WeakPolarHBondContact CA-O 3.42Å; N696-S706 PolarHBondContact N-O 2.96Å; N696-S706 PolarHBondContact ND2-OG 3.26Å; N696-S706 VanDerWaalsContact ND2-OG 3.16Å
707W95.1Very high92.4Very high0 Ų044.4 Ų44.40%023%0.234CC..BIsolated β-bridgetrans-73.5151.7175.2-60.5105000112.4I567 L613 W614 N618 A669 W671 P695 N696 I705 Q714I567-W707 HydrophobicContact CG2-CH2 4.29Å; L613-W707 HydrophobicContact CB-CB 4.3Å; L613-W707 HydrophobicContact CB-CD2 3.92Å; L613-W707 HydrophobicContact CB-CG 3.62Å; L613-W707 HydrophobicContact CD1-CD2 4.18Å; L613-W707 HydrophobicContact CD1-CH2 4.23Å; L613-W707 HydrophobicContact CD1-CZ2 3.69Å; W614-W707 HydrophobicContact CB-CB 4.09Å; N618-W707 PolarHBondContact ND2-NE1 3.35Å; A669-W707 HydrophobicContact CB-CH2 3.7Å; A669-W707 HydrophobicContact CB-CZ2 3.64Å; W671-W707 HydrophobicContact CD2-CZ3 4.35Å; W671-W707 AromaticContact CE3-CH2 3.94Å; W671-W707 HydrophobicContact CE3-CH2 3.94Å; W671-W707 AromaticContact CE3-CZ3 3.91Å; W671-W707 HydrophobicContact CE3-CZ3 3.91Å; W671-W707 HydrophobicContact CZ3-CH2 4.02Å; W671-W707 HydrophobicContact CZ3-CZ3 4.33Å; P695-W707 HydrophobicContact CB-CE3 4.32Å; P695-W707 HydrophobicContact CB-CZ3 4.42Å; N696-W707 PolarHBondContact ND2-O 3.47Å; I705-W707 HydrophobicContact CB-CD2 4.49Å; I705-W707 HydrophobicContact CB-CZ2 4.04Å; I705-W707 HydrophobicContact CD1-CH2 4.35Å; I705-W707 HydrophobicContact CD1-CZ2 3.56Å; I705-W707 HydrophobicContact CG1-CZ2 4.4Å; I705-W707 HydrophobicContact CG2-CD2 3.67Å; I705-W707 HydrophobicContact CG2-CE3 4.16Å; I705-W707 HydrophobicContact CG2-CG 4.16Å; I705-W707 HydrophobicContact CG2-CH2 4.07Å; I705-W707 HydrophobicContact CG2-CZ2 3.57Å; I705-W707 HydrophobicContact CG2-CZ3 4.33Å; I705-W707 PolarHBondContact O-N 3.27Å; W707-Q714 HydrophobicContact CE3-CG 3.9Å; W707-Q714 HydrophobicContact CZ3-CG 4.06Å
708K93.5Very high92.8Very high26 Ų2639.3 Ų39.311%0.11321%0.212CC..  trans-62.1138.4166.7-79.6177.3174.1-162.20110.3D410 A691 P692 G694 N696D410-K708 WeakPolarHBondContact OD2-CE 3.45Å; D410-K708 IonicContact OD2-NZ 3.86Å; D410-K708 PolarHBondContact OD2-NZ 2.87Å; A691-K708 VanDerWaalsContact O-CD 3.28Å; A691-K708 WeakPolarHBondContact O-CD 3.3Å; A691-K708 VanDerWaalsContact O-CE 3.31Å; A691-K708 WeakPolarHBondContact O-CE 3.34Å; A691-K708 PolarHBondContact O-NZ 2.69Å; P692-K708 WeakPolarHBondContact O-CD 3.33Å; G694-K708 WeakPolarHBondContact O-CB 3.43Å; G694-K708 VanDerWaalsContact O-CG 3.25Å; G694-K708 WeakPolarHBondContact O-CG 3.41Å; G694-K708 PolarHBondContact O-N 3.05Å; N696-K708 WeakPolarHBondContact OD1-CG 3.46Å
709S93Very high93.3Very high6 Ų632.3 Ų32.34%0.04218%0.176CC..  trans-101.44.7-174.359.90000113.6F192 D249 W614F192-S709 WeakPolarHBondContact CE2-OG 3.07Å; D249-S709 PolarHBondContact OD1-OG 3.42Å; D249-S709 PolarHBondContact OD2-OG 3.44Å; W614-S709 VanDerWaalsContact CD1-CA 3.5Å
710R90.9Very high93.6Very high40 Ų4033.4 Ų33.415%0.15118%0.183CC..SBendtrans-137.5145.6-173.1-48.3-176.1-177.3-160.32.8109.5F192 C248 S404F192-R710 HydrophobicContact CE2-CG 4.36Å; C248-R710 PolarHBondContact O-NH2 2.9Å; S404-R710 WeakPolarHBondContact O-CD 3.33Å; S404-R710 PolarHBondContact O-NH1 3.3Å; S404-R710 VanDerWaalsContact OG-CD 3.26Å; S404-R710 WeakPolarHBondContact OG-CD 3.39Å; S404-R710 VanDerWaalsContact OG-CG 3.29Å; S404-R710 WeakPolarHBondContact OG-CG 3.27Å
711G88.7Confident93.1Very high6 Ų631.7 Ų31.76%0.06217%0.174CC..SBendtrans84.3-152179.700000113.9T401T401-G711 WeakPolarHBondContact CB-O 3.49Å; T401-G711 PolarHBondContact O-N 3.31Å; T401-G711 VanDerWaalsContact O-N 3.09Å
712T89.5Confident92.5Very high23 Ų2334.2 Ų34.214%0.14118%0.184CC..SBendtrans-63.8142.4-173.1-45.20000112.7A693A693-T712 WeakPolarHBondContact CB-O 3.49Å
713Q94Very high92Very high69 Ų6932.1 Ų32.132%0.32217%0.17SC..PPolyproline II helixtrans-72159.9176-65.8178.7-4.800111.6P531 P610 P612P531-Q713 WeakPolarHBondContact CD-O 3.23Å; P531-Q713 VanDerWaalsContact CG-O 3.24Å; P531-Q713 WeakPolarHBondContact CG-O 3.41Å; P610-Q713 HydrophobicContact CB-CB 4.16Å; P610-Q713 PolarHBondContact O-OE1 3.32Å; P612-Q713 HydrophobicContact CB-CG 4.29Å
714Q96.3Very high91.1Very high3 Ų331.1 Ų31.11%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-86.4152.6176.7-65.47437.500110.7P610 H611 L613 A693 W707P610-Q714 CarbonylContact C-O 3.58Å; P610-Q714 VanDerWaalsContact CA-O 3.31Å; P610-Q714 WeakPolarHBondContact CA-O 3.08Å; H611-Q714 PolarHBondContact N-O 3.1Å; H611-Q714 PolarHBondContact O-N 3Å; H611-Q714 PolarHBondContact O-OE1 2.95Å; H611-Q714 VanDerWaalsContact O-OE1 3.1Å; L613-Q714 HydrophobicContact CD1-CB 3.7Å; L613-Q714 HydrophobicContact CD1-CG 4.07Å; L613-Q714 HydrophobicContact CG-CB 3.94Å; L613-Q714 HydrophobicContact CG-CG 4.34Å; A693-Q714 HydrophobicContact CB-CG 4.47Å; A693-Q714 VanDerWaalsContact O-CG 3.25Å; A693-Q714 WeakPolarHBondContact O-CG 3.25Å; A693-Q714 PolarHBondContact O-NE2 2.91Å; W707-Q714 HydrophobicContact CE3-CG 3.9Å; W707-Q714 HydrophobicContact CZ3-CG 4.06Å
715G96.6Very high90.2Very high0 Ų031.5 Ų31.50%017%0.165CC..EExtended strand (participates in β ladder)trans-78.9139168.400000110.7I608 E609 A669 L670I608-G715 VanDerWaalsContact CG2-CA 3.48Å; E609-G715 CarbonylContact O-C 3.57Å; A669-G715 CarbonylContact C-O 3.6Å; L670-G715 PolarHBondContact N-O 3.49Å; L670-G715 PolarHBondContact O-N 3.05Å
716V96.8Very high89.2Confident2 Ų236.6 Ų36.61%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-129.2129.8179.3-172.80000109.9F571 L574 I608 E609 H611 L613 I668 L718F571-V716 HydrophobicContact CE2-CG1 3.77Å; F571-V716 HydrophobicContact CZ-CG1 3.91Å; L574-V716 HydrophobicContact CD2-CG1 4.15Å; L574-V716 HydrophobicContact CD2-CG2 4.36Å; I608-V716 WeakPolarHBondContact CA-O 3.34Å; E609-V716 PolarHBondContact N-O 3.01Å; E609-V716 PolarHBondContact O-N 2.71Å; H611-V716 HydrophobicContact CB-CG2 3.92Å; L613-V716 HydrophobicContact CD1-CG2 4.16Å; L613-V716 HydrophobicContact CD2-CG2 3.64Å; L613-V716 HydrophobicContact CG-CG2 4.11Å; I668-V716 WeakPolarHBondContact O-CA 3.44Å; V716-L718 HydrophobicContact CG1-CD2 3.74Å; V716-L718 HydrophobicContact CG1-CG 3.99Å
717F95.8Very high88.3Confident10 Ų1035.6 Ų35.64%0.04418%0.179CC..EExtended strand (participates in β ladder)trans-106.2111.2164.4173.3-116.4000108.7L607 I608 G667 I668 F719 P720 W723 F752L607-F717 HydrophobicContact CD1-CD2 3.68Å; L607-F717 HydrophobicContact CD1-CE2 3.35Å; L607-F717 HydrophobicContact CD1-CZ 4.41Å; L607-F717 HydrophobicContact CG-CD2 3.87Å; L607-F717 HydrophobicContact CG-CE2 4.03Å; L607-F717 WeakPolarHBondContact O-CD2 3.49Å; I608-F717 HydrophobicContact CD1-CB 3.66Å; I608-F717 HydrophobicContact CD1-CG 4.48Å; G667-F717 CarbonylContact C-O 3.48Å; G667-F717 WeakPolarHBondContact CA-O 3.38Å; I668-F717 HydrophobicContact CB-CB 4.21Å; I668-F717 HydrophobicContact CB-CD1 4.46Å; I668-F717 HydrophobicContact CD1-CD1 3.83Å; I668-F717 HydrophobicContact CD1-CE1 4.47Å; I668-F717 HydrophobicContact CG1-CD1 3.95Å; I668-F717 PolarHBondContact N-O 2.5Å; I668-F717 PolarHBondContact O-N 3.45Å; F717-F719 AromaticContact CD1-CD1 3.98Å; F717-F719 HydrophobicContact CD1-CD1 3.98Å; F717-F719 HydrophobicContact CD1-CE1 4.11Å; F717-F719 AromaticContact CE1-CD1 3.72Å; F717-F719 HydrophobicContact CE1-CD1 3.72Å; F717-F719 HydrophobicContact CE1-CE1 4.05Å; F717-P720 HydrophobicContact CZ-CG 4.25Å; F717-W723 HydrophobicContact CE1-CE3 4.45Å; F717-W723 HydrophobicContact CE1-CH2 4.02Å; F717-W723 AromaticContact CE1-CZ3 3.95Å; F717-W723 HydrophobicContact CE1-CZ3 3.95Å; F717-W723 HydrophobicContact CZ-CH2 4.41Å; F717-F752 HydrophobicContact CB-CD2 4.25Å; F717-F752 HydrophobicContact CB-CE2 3.76Å; F717-F752 HydrophobicContact CB-CZ 4.49Å; F717-F752 AromaticContact CD1-CD2 3.55Å; F717-F752 HydrophobicContact CD1-CD2 3.55Å; F717-F752 AromaticContact CD1-CE2 3.94Å; F717-F752 HydrophobicContact CD1-CE2 3.94Å; F717-F752 HydrophobicContact CD1-CG 4.19Å; F717-F752 HydrophobicContact CD2-CD2 4.21Å; F717-F752 HydrophobicContact CD2-CE2 4.36Å; F717-F752 HydrophobicContact CE1-CB 4.22Å; F717-F752 AromaticContact CE1-CD2 3.87Å; F717-F752 HydrophobicContact CE1-CD2 3.87Å; F717-F752 HydrophobicContact CE1-CG 4.32Å; F717-F752 AromaticContact CG-CD2 3.73Å; F717-F752 HydrophobicContact CG-CD2 3.73Å; F717-F752 AromaticContact CG-CE2 3.75Å; F717-F752 HydrophobicContact CG-CE2 3.75Å; F717-F752 HydrophobicContact CZ-CD2 4.33Å
718L94Very high87Confident18 Ų1840.2 Ų40.29%0.09421%0.211CC..EExtended strand (participates in β ladder)trans-86.9136.1174.4-64.9176.8000110F571 L574 W575 I577 R578 V716 P720F571-L718 HydrophobicContact CD2-CD2 3.97Å; F571-L718 HydrophobicContact CE2-CD2 4.18Å; L574-L718 HydrophobicContact CG-CD1 4.5Å; L574-L718 HydrophobicContact CG-CD2 4.32Å; W575-L718 HydrophobicContact CB-CD2 4.12Å; I577-L718 HydrophobicContact CD1-CD1 3.8Å; I577-L718 HydrophobicContact CG1-CD1 3.74Å; R578-L718 HydrophobicContact CB-CB 4.43Å; R578-L718 HydrophobicContact CB-CD1 4.17Å; R578-L718 HydrophobicContact CG-CB 4.34Å; R578-L718 HydrophobicContact CG-CD1 3.69Å; V716-L718 HydrophobicContact CG1-CD2 3.74Å; V716-L718 HydrophobicContact CG1-CG 3.99Å; L718-P720 WeakPolarHBondContact O-CD 3.2Å
719F92.4Very high85.6Confident10 Ų1042.1 Ų42.14%0.04423%0.228CC..PPolyproline II helixtrans-67.6128-175.3-71.7-9.4000112.1L568 V665 N666 I668 F717 W723 I727 L733 I735L568-F719 HydrophobicContact CD2-CZ 4.3Å; V665-F719 HydrophobicContact CB-CE2 4.33Å; V665-F719 HydrophobicContact CG1-CE2 4.01Å; V665-F719 HydrophobicContact CG2-CE2 3.73Å; V665-F719 HydrophobicContact CG2-CZ 3.93Å; N666-F719 WeakPolarHBondContact O-CB 3.39Å; N666-F719 PolarHBondContact O-N 3.5Å; I668-F719 HydrophobicContact CD1-CE1 4.17Å; I668-F719 HydrophobicContact CG1-CE1 3.71Å; I668-F719 HydrophobicContact CG1-CZ 4.31Å; F717-F719 AromaticContact CD1-CD1 3.98Å; F717-F719 HydrophobicContact CD1-CD1 3.98Å; F717-F719 HydrophobicContact CD1-CE1 4.11Å; F717-F719 AromaticContact CE1-CD1 3.72Å; F717-F719 HydrophobicContact CE1-CD1 3.72Å; F717-F719 HydrophobicContact CE1-CE1 4.05Å; F719-W723 HydrophobicContact CB-CB 4.35Å; F719-W723 AromaticContact CD1-CE3 3.85Å; F719-W723 HydrophobicContact CD1-CE3 3.85Å; F719-W723 HydrophobicContact CD1-CZ3 4.14Å; F719-W723 HydrophobicContact CD2-CE3 4.48Å; F719-W723 HydrophobicContact CE1-CE3 4Å; F719-W723 AromaticContact CE1-CZ3 3.93Å; F719-W723 HydrophobicContact CE1-CZ3 3.93Å; F719-W723 HydrophobicContact CG-CE3 4.11Å; F719-W723 HydrophobicContact CZ-CE3 4.42Å; F719-W723 HydrophobicContact CZ-CZ3 4.47Å; F719-I727 HydrophobicContact CD2-CD1 3.69Å; F719-I727 HydrophobicContact CE2-CD1 3.88Å; F719-L733 HydrophobicContact CE2-CD2 3.97Å; F719-L733 HydrophobicContact CZ-CD2 4.39Å; F719-I735 HydrophobicContact CE1-CD1 3.94Å; F719-I735 HydrophobicContact CE2-CD1 4.24Å; F719-I735 HydrophobicContact CZ-CD1 3.42Å; F719-I735 VanDerWaalsContact CZ-CD1 3.42Å
720P87.1Confident83.9Confident47 Ų4750.1 Ų50.131%0.30527%0.27SS..PPolyproline II helixtrans-58.7154.7170.1-24.234.5000112.1F717 L718 E722 W723F717-P720 HydrophobicContact CZ-CG 4.25Å; L718-P720 WeakPolarHBondContact O-CD 3.2Å; P720-E722 WeakPolarHBondContact CB-OE2 3.27Å; P720-E722 PolarHBondContact O-N 3.15Å; P720-W723 WeakPolarHBondContact O-CB 3.31Å; P720-W723 PolarHBondContact O-N 3.42Å
721S80Confident82.8Confident33 Ų3354.7 Ų54.723%0.23130%0.298CS..Hα-helixtrans-59.8-32.1-178.6-59.30000113.4P580 W723 K724P580-S721 WeakPolarHBondContact CD-OG 3.32Å; P580-S721 WeakPolarHBondContact CG-OG 3.5Å; S721-W723 PolarHBondContact O-N 3.23Å; S721-K724 PolarHBondContact O-N 2.81Å
722E81.6Confident82.3Confident121 Ų12160.2 Ų60.257%0.56533%0.325SS*.Hα-helixtrans-67.4-21.8177.2-48.683.1-177.700112.2P720 T725 K726P720-E722 WeakPolarHBondContact CB-OE2 3.27Å; P720-E722 PolarHBondContact O-N 3.15Å; E722-T725 PolarHBondContact O-OG1 3.09Å; E722-K726 WeakPolarHBondContact O-CG 3.39Å
723W86.1Confident82.2Confident34 Ų3459.8 Ų59.813%0.12932%0.322CS..Hα-helixtrans-77.5-39.6175.4-7537.3000110.8F717 F719 P720 S721 T725 K726 I727 I735 F752 I754F717-W723 HydrophobicContact CE1-CE3 4.45Å; F717-W723 HydrophobicContact CE1-CH2 4.02Å; F717-W723 AromaticContact CE1-CZ3 3.95Å; F717-W723 HydrophobicContact CE1-CZ3 3.95Å; F717-W723 HydrophobicContact CZ-CH2 4.41Å; F719-W723 HydrophobicContact CB-CB 4.35Å; F719-W723 AromaticContact CD1-CE3 3.85Å; F719-W723 HydrophobicContact CD1-CE3 3.85Å; F719-W723 HydrophobicContact CD1-CZ3 4.14Å; F719-W723 HydrophobicContact CD2-CE3 4.48Å; F719-W723 HydrophobicContact CE1-CE3 4Å; F719-W723 AromaticContact CE1-CZ3 3.93Å; F719-W723 HydrophobicContact CE1-CZ3 3.93Å; F719-W723 HydrophobicContact CG-CE3 4.11Å; F719-W723 HydrophobicContact CZ-CE3 4.42Å; F719-W723 HydrophobicContact CZ-CZ3 4.47Å; P720-W723 WeakPolarHBondContact O-CB 3.31Å; P720-W723 PolarHBondContact O-N 3.42Å; S721-W723 PolarHBondContact O-N 3.23Å; W723-T725 VanDerWaalsContact C-N 3.29Å; W723-T725 PolarHBondContact O-N 3.32Å; W723-K726 WeakPolarHBondContact O-CB 3.36Å; W723-K726 PolarHBondContact O-N 3.17Å; W723-I727 HydrophobicContact CB-CD1 4.35Å; W723-I727 WeakPolarHBondContact O-CD1 3.21Å; W723-I727 WeakPolarHBondContact O-CG1 3.36Å; W723-I727 PolarHBondContact O-N 2.86Å; W723-I735 HydrophobicContact CE3-CD1 4.45Å; W723-I735 HydrophobicContact CH2-CG2 4.46Å; W723-I735 HydrophobicContact CZ3-CD1 3.82Å; W723-I735 HydrophobicContact CZ3-CG1 4.04Å; W723-I735 HydrophobicContact CZ3-CG2 4.42Å; W723-F752 HydrophobicContact CH2-CB 3.8Å; W723-I754 HydrophobicContact CB-CD1 3.96Å; W723-I754 HydrophobicContact CD2-CD1 3.47Å; W723-I754 VanDerWaalsContact CD2-CD1 3.47Å; W723-I754 HydrophobicContact CD2-CG1 3.73Å; W723-I754 HydrophobicContact CE3-CD1 3.72Å; W723-I754 HydrophobicContact CE3-CG1 3.67Å; W723-I754 HydrophobicContact CG-CD1 3.6Å; W723-I754 HydrophobicContact CG-CG1 4.38Å; W723-I754 HydrophobicContact CH2-CG1 4.02Å; W723-I754 HydrophobicContact CZ2-CG1 4.1Å; W723-I754 HydrophobicContact CZ3-CD1 4.39Å; W723-I754 HydrophobicContact CZ3-CG1 3.82Å
724K77Confident82.1Confident66 Ų6662.7 Ų62.729%0.28733%0.33SS..Hα-helixtrans-57.5-40.2178.3-72.4-176.7179.5172.10112.9S721 K726 I727 S728S721-K724 PolarHBondContact O-N 2.81Å; K724-K726 VanDerWaalsContact C-N 3.27Å; K724-K726 PolarHBondContact O-N 3.31Å; K724-I727 PolarHBondContact O-N 2.96Å; K724-S728 PolarHBondContact O-N 3.28Å
725T75.1Confident82.1Confident101 Ų10162.5 Ų62.562%0.6233%0.329SS*.Hα-helixtrans-68.5-25.5177.555.20000113.2E722 W723 S728E722-T725 PolarHBondContact O-OG1 3.09Å; W723-T725 VanDerWaalsContact C-N 3.29Å; W723-T725 PolarHBondContact O-N 3.32Å; T725-S728 PolarHBondContact O-OG 3.48Å; T725-S728 VanDerWaalsContact O-OG 3.05Å
726K75.6Confident82Confident121 Ų12163 Ų6353%0.52633%0.332SS..Hα-helixtrans-80.2-38.2173.5-66.7175-178.3177.10111.8E722 W723 K724 S728 S729 I754E722-K726 WeakPolarHBondContact O-CG 3.39Å; W723-K726 WeakPolarHBondContact O-CB 3.36Å; W723-K726 PolarHBondContact O-N 3.17Å; K724-K726 VanDerWaalsContact C-N 3.27Å; K724-K726 PolarHBondContact O-N 3.31Å; K726-S728 VanDerWaalsContact C-N 3.3Å; K726-S728 PolarHBondContact O-N 2.99Å; K726-S729 PolarHBondContact O-N 2.79Å; K726-S729 PolarHBondContact O-OG 2.84Å; K726-I754 HydrophobicContact CB-CD1 4.35Å; K726-I754 HydrophobicContact CD-CD1 4.2Å
727I75Confident82Confident12 Ų1262.9 Ų62.96%0.06233%0.332CS..Hα-helixtrans-67.6-27.9-178.8-65163.7000112.4S663 F719 W723 K724 S729 L733S663-I727 WeakPolarHBondContact O-CG2 3.21Å; F719-I727 HydrophobicContact CD2-CD1 3.69Å; F719-I727 HydrophobicContact CE2-CD1 3.88Å; W723-I727 HydrophobicContact CB-CD1 4.35Å; W723-I727 WeakPolarHBondContact O-CD1 3.21Å; W723-I727 WeakPolarHBondContact O-CG1 3.36Å; W723-I727 PolarHBondContact O-N 2.86Å; K724-I727 PolarHBondContact O-N 2.96Å; I727-S729 PolarHBondContact O-N 2.88Å; I727-L733 HydrophobicContact CD1-CD1 4.47Å; I727-L733 HydrophobicContact CD1-CD2 3.59Å; I727-L733 HydrophobicContact CG1-CD1 3.77Å; I727-L733 HydrophobicContact CG1-CD2 3.62Å; I727-L733 HydrophobicContact CG1-CG 4.16Å; I727-L733 HydrophobicContact CG2-CD2 4.48Å
728S67.5Low82Confident96 Ų9663.4 Ų63.467%0.67134%0.337SS*.THydrogen-bonded Turntrans-70.5-7.817859.50000114.3K724 T725 K726K724-S728 PolarHBondContact O-N 3.28Å; T725-S728 PolarHBondContact O-OG 3.48Å; T725-S728 VanDerWaalsContact O-OG 3.05Å; K726-S728 VanDerWaalsContact C-N 3.3Å; K726-S728 PolarHBondContact O-N 2.99Å
729S65.1Low82Confident67 Ų6762.6 Ų62.647%0.46933%0.332SS..SBendtrans-77.7138167.768.80000110K726 I727 D731K726-S729 PolarHBondContact O-N 2.79Å; K726-S729 PolarHBondContact O-OG 2.84Å; I727-S729 PolarHBondContact O-N 2.88Å; S729-D731 PolarHBondContact O-N 2.93Å
730N56.9Low81.9Confident174 Ų17466.2 Ų66.293%0.9335%0.352SS*.SBendtrans-61.716.2-163.9-106.6-11.7000117.8
731D67.1Low82.1Confident136 Ų13664.8 Ų64.873%0.72734%0.341SS*.SBendtrans-92.1146.6178.8-71-33000112S729 L733S729-D731 PolarHBondContact O-N 2.93Å; D731-L733 PolarHBondContact O-N 3.27Å
732L77.9Confident82.5Confident121 Ų12166.2 Ų66.263%0.63435%0.346SS*.  trans-62.7110.4169.2-74.3162.6000108.7T659 A660 R734T659-L732 HydrophobicContact CG2-CB 4.41Å; A660-L732 VanDerWaalsContact O-CD2 3.26Å; A660-L732 WeakPolarHBondContact O-CD2 3.47Å; L732-R734 PolarHBondContact O-N 3.12Å
733L88.6Confident82.6Confident15 Ų1560.6 Ų60.68%0.07932%0.32CS..  trans-56.2124.2179.3176.767.5000110.6A660 V665 F719 I727 D731 I735 I754A660-L733 HydrophobicContact CB-CB 3.89Å; A660-L733 HydrophobicContact CB-CD2 4.43Å; A660-L733 PolarHBondContact N-O 3.38Å; V665-L733 HydrophobicContact CG1-CD2 3.59Å; F719-L733 HydrophobicContact CE2-CD2 3.97Å; F719-L733 HydrophobicContact CZ-CD2 4.39Å; I727-L733 HydrophobicContact CD1-CD1 4.47Å; I727-L733 HydrophobicContact CD1-CD2 3.59Å; I727-L733 HydrophobicContact CG1-CD1 3.77Å; I727-L733 HydrophobicContact CG1-CD2 3.62Å; I727-L733 HydrophobicContact CG1-CG 4.16Å; I727-L733 HydrophobicContact CG2-CD2 4.48Å; D731-L733 PolarHBondContact O-N 3.27Å; L733-I735 HydrophobicContact CD1-CG1 4.3Å; L733-I735 HydrophobicContact CD2-CD1 3.73Å; L733-I735 HydrophobicContact CD2-CG1 4.29Å; L733-I735 HydrophobicContact CG-CD1 4.1Å; L733-I735 HydrophobicContact CG-CG1 4.11Å; L733-I754 HydrophobicContact CD1-CD1 4.08Å; L733-I754 HydrophobicContact CD1-CG1 4.01Å; L733-I754 HydrophobicContact CD1-CG2 3.87Å
734R92.7Very high82.6Confident129 Ų12963.5 Ų63.549%0.48733%0.334SS..EExtended strand (participates in β ladder)trans-117.4129.1174-67.1176.771.1-167.5-0.8109.6T657 L658 T659 L732 I754 L755T657-R734 HydrophobicContact CG2-CB 4.07Å; L658-R734 CarbonylContact O-C 3.55Å; L658-R734 WeakPolarHBondContact O-CA 3.36Å; T659-R734 HydrophobicContact CG2-CG 4Å; L732-R734 PolarHBondContact O-N 3.12Å; R734-I754 WeakPolarHBondContact O-CA 3.34Å; R734-L755 HydrophobicContact CB-CB 4.14Å; R734-L755 HydrophobicContact CB-CD1 4.34Å; R734-L755 PolarHBondContact O-N 2.96Å
735I94.4Very high83Confident0 Ų062.5 Ų62.50%033%0.333CS..EExtended strand (participates in β ladder)trans-121.6121.1-179.3-66162.5000108.3L568 T657 L658 I668 F719 W723 L733 F752 K753 I754L568-I735 HydrophobicContact CD1-CD1 4.41Å; L568-I735 HydrophobicContact CD2-CD1 3.72Å; T657-I735 CarbonylContact C-O 3.56Å; T657-I735 WeakPolarHBondContact CA-O 3.39Å; L658-I735 PolarHBondContact N-O 3.39Å; L658-I735 PolarHBondContact O-N 3.14Å; I668-I735 HydrophobicContact CD1-CG2 4.25Å; F719-I735 HydrophobicContact CE1-CD1 3.94Å; F719-I735 HydrophobicContact CE2-CD1 4.24Å; F719-I735 HydrophobicContact CZ-CD1 3.42Å; F719-I735 VanDerWaalsContact CZ-CD1 3.42Å; W723-I735 HydrophobicContact CE3-CD1 4.45Å; W723-I735 HydrophobicContact CH2-CG2 4.46Å; W723-I735 HydrophobicContact CZ3-CD1 3.82Å; W723-I735 HydrophobicContact CZ3-CG1 4.04Å; W723-I735 HydrophobicContact CZ3-CG2 4.42Å; L733-I735 HydrophobicContact CD1-CG1 4.3Å; L733-I735 HydrophobicContact CD2-CD1 3.73Å; L733-I735 HydrophobicContact CD2-CG1 4.29Å; L733-I735 HydrophobicContact CG-CD1 4.1Å; L733-I735 HydrophobicContact CG-CG1 4.11Å; I735-F752 HydrophobicContact CG2-CB 4.14Å; I735-K753 CarbonylContact C-O 3.56Å; I735-K753 WeakPolarHBondContact CA-O 3.2Å; I735-I754 HydrophobicContact CG1-CG1 4.48Å
736S95.9Very high83.7Confident9 Ų957.7 Ų57.76%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-74128.5163.7176.10000108.8Q655 N656 F752 K753Q655-S736 WeakPolarHBondContact CG-OG 3.47Å; Q655-S736 PolarHBondContact NE2-OG 3.28Å; N656-S736 CarbonylContact O-C 3.56Å; N656-S736 WeakPolarHBondContact O-CA 3.3Å; S736-F752 WeakPolarHBondContact O-CA 3.47Å; S736-K753 PolarHBondContact N-O 3.39Å; S736-K753 PolarHBondContact O-N 2.89Å
737A96.6Very high84.2Confident0 Ų055 Ų550%030%0.298CS..EExtended strand (participates in β ladder)trans-127.3130178.200000110.1I627 N656 L658 S751 F752I627-A737 HydrophobicContact CG2-CB 3.7Å; N656-A737 PolarHBondContact N-O 2.81Å; N656-A737 PolarHBondContact O-N 2.85Å; L658-A737 HydrophobicContact CD1-CB 4.05Å; A737-S751 WeakPolarHBondContact CA-O 3.38Å; A737-F752 HydrophobicContact CB-CD1 3.7Å; A737-F752 HydrophobicContact CB-CE1 3.87Å
738C95.4Very high84.9Confident22 Ų2255.3 Ų55.315%0.14930%0.299CS..EExtended strand (participates in β ladder)trans-148.1167.9169.8630000109.2Q655 S751Q655-C738 HydrophobicContact CB-CB 4.35Å; C738-S751 PolarHBondContact N-O 3.18Å; C738-S751 VanDerWaalsContact N-O 3.1Å; C738-S751 PolarHBondContact O-N 2.96Å
739M93.9Very high86Confident0 Ų053.6 Ų53.60%029%0.287CS..EExtended strand (participates in β ladder)trans-140.4133172.9175.4179.6-74.700108.7W532 I564 I627 F628 C653 L670 L748 S749 P750W532-M739 HydrophobicContact CH2-CE 3.89Å; W532-M739 HydrophobicContact CZ2-CE 3.68Å; W532-M739 HydrophobicContact CZ3-CE 4.45Å; I564-M739 HydrophobicContact CD1-CE 4.49Å; I564-M739 HydrophobicContact CD1-SD 3.38Å; I564-M739 WeakPolarHBondContact CD1-SD 3.37Å; I564-M739 HydrophobicContact CG2-CE 4.25Å; I564-M739 HydrophobicContact CG2-SD 4.24Å; I627-M739 HydrophobicContact CD1-CB 4.05Å; I627-M739 HydrophobicContact CD1-CE 4.28Å; I627-M739 HydrophobicContact CG1-CB 4.47Å; I627-M739 PolarHBondContact O-N 3.38Å; F628-M739 HydrophobicContact CB-CB 4.1Å; F628-M739 HydrophobicContact CB-SD 4.49Å; F628-M739 WeakPolarHBondContact CD2-O 3.38Å; C653-M739 PolarHBondContact SG-O 3.06Å; C653-M739 VanDerWaalsContact SG-O 3.4Å; L670-M739 HydrophobicContact CD2-CE 4.15Å; M739-L748 HydrophobicContact CG-CB 4.1Å; M739-L748 HydrophobicContact CG-CD2 4.17Å; M739-L748 HydrophobicContact SD-CB 3.85Å; M739-L748 HydrophobicContact SD-CD2 3.57Å; M739-L748 VanDerWaalsContact SD-CD2 3.57Å; M739-L748 HydrophobicContact SD-CG 4.34Å; M739-S749 WeakPolarHBondContact CA-O 3.17Å; M739-P750 HydrophobicContact CE-CB 3.79Å; M739-P750 HydrophobicContact CE-CG 4.06Å
740D91.2Very high87.3Confident86 Ų8651.4 Ų51.446%0.4627%0.272SS..EExtended strand (participates in β ladder)trans-101.5152.1177.3-69.6-32.9000109.8C653 L748 S749C653-D740 PolarHBondContact SG-OD1 3.3Å; D740-L748 CarbonylContact O-C 3.53Å; D740-L748 VanDerWaalsContact O-CA 3.28Å; D740-L748 WeakPolarHBondContact O-CA 3.28Å; D740-S749 PolarHBondContact N-O 3.4Å; D740-S749 PolarHBondContact O-N 3.01Å
741F90.7Very high89.1Confident17 Ų1746 Ų468%0.07525%0.248CC..EExtended strand (participates in β ladder)trans-127.5119.4178.4176.5-135.2000110.5L535 W538 Y539 F628 M630 I651 I743 L748L535-F741 HydrophobicContact CD1-CE2 4.3Å; L535-F741 HydrophobicContact CD1-CZ 4.15Å; W538-F741 HydrophobicContact CZ3-CE1 4.4Å; W538-F741 HydrophobicContact CZ3-CZ 4.46Å; Y539-F741 HydrophobicContact CE2-CZ 4.34Å; Y539-F741 WeakPolarHBondContact OH-CZ 3.27Å; F628-F741 HydrophobicContact CE2-CB 3.51Å; F628-F741 HydrophobicContact CE2-CG 4.44Å; F628-F741 HydrophobicContact CZ-CB 3.7Å; F628-F741 HydrophobicContact CZ-CD1 4.21Å; F628-F741 HydrophobicContact CZ-CG 4.15Å; M630-F741 HydrophobicContact CE-CD1 4.49Å; M630-F741 HydrophobicContact CE-CE1 3.85Å; M630-F741 HydrophobicContact SD-CD1 4.18Å; M630-F741 HydrophobicContact SD-CE1 3.9Å; I651-F741 HydrophobicContact CD1-CB 4.37Å; I651-F741 HydrophobicContact CD1-CD1 3.46Å; I651-F741 VanDerWaalsContact CD1-CD1 3.46Å; I651-F741 HydrophobicContact CD1-CE1 4.22Å; I651-F741 HydrophobicContact CD1-CG 4.35Å; I651-F741 HydrophobicContact CG1-CD1 4.11Å; F741-I743 HydrophobicContact CD1-CG1 3.99Å; F741-I743 HydrophobicContact CE1-CB 4.49Å; F741-I743 HydrophobicContact CE1-CG1 3.91Å; F741-L748 HydrophobicContact CB-CG 4.18Å; F741-L748 HydrophobicContact CD2-CD1 3.63Å; F741-L748 HydrophobicContact CD2-CG 3.64Å; F741-L748 HydrophobicContact CE2-CD1 3.83Å; F741-L748 HydrophobicContact CE2-CG 4.36Å; F741-L748 HydrophobicContact CG-CD1 4.48Å; F741-L748 HydrophobicContact CG-CG 4.19Å
742D88.6Confident90.4Very high64 Ų6440.6 Ų40.634%0.34222%0.218SC..EExtended strand (participates in β ladder)trans-89.3105.5168.7177.65.1000109.8F744 T745 G746 V747D742-F744 PolarHBondContact O-N 3.1Å; D742-F744 PolarHBondContact OD1-N 2.75Å; D742-T745 VanDerWaalsContact CB-OG1 3.24Å; D742-T745 WeakPolarHBondContact CB-OG1 3.32Å; D742-T745 PolarHBondContact O-N 2.98Å; D742-T745 PolarHBondContact O-OG1 3.24Å; D742-T745 WeakPolarHBondContact OD2-CB 2.98Å; D742-T745 WeakPolarHBondContact OD2-CG2 3.35Å; D742-T745 PolarHBondContact OD2-OG1 2.78Å; D742-G746 WeakPolarHBondContact O-CA 3.49Å; D742-G746 PolarHBondContact O-N 3.07Å; D742-V747 PolarHBondContact N-O 2.55Å; D742-V747 PolarHBondContact O-N 3.36Å
743I84.5Confident91.2Very high3 Ų341.6 Ų41.62%0.01522%0.217CC..THydrogen-bonded Turntrans-60.5-30.7-178-57.5177.8000112.7W538 Y539 Y644 S647 K648 I651 F741W538-I743 HydrophobicContact CH2-CG2 3.69Å; W538-I743 HydrophobicContact CZ3-CG2 4.05Å; Y539-I743 VanDerWaalsContact CE1-O 3.28Å; Y539-I743 WeakPolarHBondContact CE1-O 3.01Å; Y539-I743 PolarHBondContact OH-O 3.45Å; Y644-I743 HydrophobicContact CE1-CG2 4.19Å; Y644-I743 HydrophobicContact CE2-CG2 4.32Å; Y644-I743 PolarHBondContact OH-O 3.49Å; S647-I743 VanDerWaalsContact C-CD1 3.44Å; K648-I743 HydrophobicContact CB-CD1 4.32Å; K648-I743 HydrophobicContact CG-CD1 3.65Å; I651-I743 HydrophobicContact CD1-CD1 3.42Å; I651-I743 VanDerWaalsContact CD1-CD1 3.42Å; I651-I743 HydrophobicContact CD1-CG1 3.5Å; I651-I743 VanDerWaalsContact CD1-CG1 3.5Å; F741-I743 HydrophobicContact CD1-CG1 3.99Å; F741-I743 HydrophobicContact CE1-CB 4.49Å; F741-I743 HydrophobicContact CE1-CG1 3.91Å
744F84.4Confident91.3Very high94 Ų9442.8 Ų42.841%0.41222%0.223SC..THydrogen-bonded Turntrans-78.2-38.6-176.9-64-82.7000111.7R17 Y644 D742R17-F744 PolarHBondContact NH2-O 3.38Å; Y644-F744 HydrophobicContact CD1-CD1 4.46Å; Y644-F744 AromaticContact CD1-CE1 3.8Å; Y644-F744 HydrophobicContact CD1-CE1 3.8Å; Y644-F744 HydrophobicContact CD1-CZ 4.3Å; Y644-F744 AromaticContact CE1-CD1 3.61Å; Y644-F744 HydrophobicContact CE1-CD1 3.61Å; Y644-F744 AromaticContact CE1-CE1 3.39Å; Y644-F744 HydrophobicContact CE1-CE1 3.39Å; Y644-F744 HydrophobicContact CE1-CG 4.46Å; Y644-F744 HydrophobicContact CE1-CZ 4.07Å; D742-F744 PolarHBondContact O-N 3.1Å; D742-F744 PolarHBondContact OD1-N 2.75Å
745T86.5Confident91.1Very high45 Ų4542.9 Ų42.928%0.27623%0.232SC..THydrogen-bonded Turntrans-89.3-24.5-179.358.90000112.2N12 Q19 D742 V747N12-T745 PolarHBondContact ND2-O 3.33Å; Q19-T745 PolarHBondContact NE2-O 3.46Å; Q19-T745 PolarHBondContact OE1-O 3.23Å; D742-T745 VanDerWaalsContact CB-OG1 3.24Å; D742-T745 WeakPolarHBondContact CB-OG1 3.32Å; D742-T745 PolarHBondContact O-N 2.98Å; D742-T745 PolarHBondContact O-OG1 3.24Å; D742-T745 WeakPolarHBondContact OD2-CB 2.98Å; D742-T745 WeakPolarHBondContact OD2-CG2 3.35Å; D742-T745 PolarHBondContact OD2-OG1 2.78Å; T745-V747 VanDerWaalsContact C-N 3.25Å; T745-V747 PolarHBondContact OG1-N 2.7Å
746G88.6Confident91Very high1 Ų145.1 Ų45.11%0.0124%0.244CC..THydrogen-bonded Turntrans81.14.5-171.800000113.4V14 Y539 D742V14-G746 WeakPolarHBondContact CG1-O 2.92Å; Y539-G746 VanDerWaalsContact OH-CA 3.31Å; Y539-G746 WeakPolarHBondContact OH-CA 3.23Å; D742-G746 WeakPolarHBondContact O-CA 3.49Å; D742-G746 PolarHBondContact O-N 3.07Å
747V87.9Confident90.7Very high65 Ų6546.9 Ų46.939%0.39425%0.254SS..EExtended strand (participates in β ladder)trans-82.6125.3-174.4177.40000110D742 T745D742-V747 PolarHBondContact N-O 2.55Å; D742-V747 PolarHBondContact O-N 3.36Å; T745-V747 VanDerWaalsContact C-N 3.25Å; T745-V747 PolarHBondContact OG1-N 2.7Å
748L89.8Confident90.4Very high17 Ų1749.6 Ų49.69%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-96.3117.4165.5-7598.5000109.7W532 L535 I564 F628 M739 D740 F741 P750W532-L748 HydrophobicContact CG-CD1 4.48Å; W532-L748 HydrophobicContact CG-CD2 4.39Å; L535-L748 HydrophobicContact CD1-CD1 4.03Å; I564-L748 HydrophobicContact CD1-CD2 3.48Å; I564-L748 VanDerWaalsContact CD1-CD2 3.48Å; F628-L748 HydrophobicContact CD1-CD2 4.11Å; F628-L748 HydrophobicContact CE1-CD2 3.82Å; F628-L748 HydrophobicContact CE2-CD2 4.24Å; F628-L748 HydrophobicContact CG-CD2 4.45Å; F628-L748 HydrophobicContact CZ-CD2 3.89Å; M739-L748 HydrophobicContact CG-CB 4.1Å; M739-L748 HydrophobicContact CG-CD2 4.17Å; M739-L748 HydrophobicContact SD-CB 3.85Å; M739-L748 HydrophobicContact SD-CD2 3.57Å; M739-L748 VanDerWaalsContact SD-CD2 3.57Å; M739-L748 HydrophobicContact SD-CG 4.34Å; D740-L748 CarbonylContact O-C 3.53Å; D740-L748 VanDerWaalsContact O-CA 3.28Å; D740-L748 WeakPolarHBondContact O-CA 3.28Å; F741-L748 HydrophobicContact CB-CG 4.18Å; F741-L748 HydrophobicContact CD2-CD1 3.63Å; F741-L748 HydrophobicContact CD2-CG 3.64Å; F741-L748 HydrophobicContact CE2-CD1 3.83Å; F741-L748 HydrophobicContact CE2-CG 4.36Å; F741-L748 HydrophobicContact CG-CD1 4.48Å; F741-L748 HydrophobicContact CG-CG 4.19Å; L748-P750 WeakPolarHBondContact O-CD 3.42Å
749S90.2Very high90.1Very high61 Ų6151.2 Ų51.243%0.42728%0.275SS..EExtended strand (participates in β ladder)trans-107.8106.2-177-60.10000110.5M739 D740M739-S749 WeakPolarHBondContact CA-O 3.17Å; D740-S749 PolarHBondContact N-O 3.4Å; D740-S749 PolarHBondContact O-N 3.01Å
750P92.7Very high89.8Confident21 Ų2154.4 Ų54.414%0.13629%0.292CS..EExtended strand (participates in β ladder)trans-71146.5173.118.8-15.8000111.1L607 I608 M739 L748 F752L607-P750 HydrophobicContact CD2-CG 4.25Å; I608-P750 HydrophobicContact CD1-CB 4.34Å; I608-P750 HydrophobicContact CD1-CG 3.73Å; I608-P750 HydrophobicContact CG1-CB 4.4Å; I608-P750 HydrophobicContact CG1-CG 3.35Å; M739-P750 HydrophobicContact CE-CB 3.79Å; M739-P750 HydrophobicContact CE-CG 4.06Å; L748-P750 WeakPolarHBondContact O-CD 3.42Å; P750-F752 HydrophobicContact CB-CE2 3.8Å; P750-F752 HydrophobicContact CB-CZ 3.81Å; P750-F752 HydrophobicContact CG-CE2 4.48Å
751S94Very high89.7Confident61 Ų6152.3 Ų52.343%0.42728%0.281SS..EExtended strand (participates in β ladder)trans-130.1120.8172.3-168.70000109.8A737 C738A737-S751 WeakPolarHBondContact CA-O 3.38Å; C738-S751 PolarHBondContact N-O 3.18Å; C738-S751 VanDerWaalsContact N-O 3.1Å; C738-S751 PolarHBondContact O-N 2.96Å
752F95.1Very high89.7Confident22 Ų2254.8 Ų54.810%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-121132175.9-51.3-66.2000110.3I608 I668 L670 F717 W723 I735 S736 A737 P750I608-F752 HydrophobicContact CD1-CE2 3.79Å; I608-F752 HydrophobicContact CD1-CZ 4.3Å; I668-F752 HydrophobicContact CD1-CB 4.33Å; I668-F752 HydrophobicContact CD1-CD1 3.48Å; I668-F752 VanDerWaalsContact CD1-CD1 3.48Å; I668-F752 HydrophobicContact CD1-CD2 4.21Å; I668-F752 HydrophobicContact CD1-CE1 3.73Å; I668-F752 HydrophobicContact CD1-CE2 4.4Å; I668-F752 HydrophobicContact CD1-CG 3.75Å; I668-F752 HydrophobicContact CD1-CZ 4.19Å; I668-F752 HydrophobicContact CG2-CE1 4.39Å; L670-F752 HydrophobicContact CD1-CZ 4.24Å; L670-F752 HydrophobicContact CD2-CZ 4.01Å; F717-F752 HydrophobicContact CB-CD2 4.25Å; F717-F752 HydrophobicContact CB-CE2 3.76Å; F717-F752 HydrophobicContact CB-CZ 4.49Å; F717-F752 AromaticContact CD1-CD2 3.55Å; F717-F752 HydrophobicContact CD1-CD2 3.55Å; F717-F752 AromaticContact CD1-CE2 3.94Å; F717-F752 HydrophobicContact CD1-CE2 3.94Å; F717-F752 HydrophobicContact CD1-CG 4.19Å; F717-F752 HydrophobicContact CD2-CD2 4.21Å; F717-F752 HydrophobicContact CD2-CE2 4.36Å; F717-F752 HydrophobicContact CE1-CB 4.22Å; F717-F752 AromaticContact CE1-CD2 3.87Å; F717-F752 HydrophobicContact CE1-CD2 3.87Å; F717-F752 HydrophobicContact CE1-CG 4.32Å; F717-F752 AromaticContact CG-CD2 3.73Å; F717-F752 HydrophobicContact CG-CD2 3.73Å; F717-F752 AromaticContact CG-CE2 3.75Å; F717-F752 HydrophobicContact CG-CE2 3.75Å; F717-F752 HydrophobicContact CZ-CD2 4.33Å; W723-F752 HydrophobicContact CH2-CB 3.8Å; I735-F752 HydrophobicContact CG2-CB 4.14Å; S736-F752 WeakPolarHBondContact O-CA 3.47Å; A737-F752 HydrophobicContact CB-CD1 3.7Å; A737-F752 HydrophobicContact CB-CE1 3.87Å; P750-F752 HydrophobicContact CB-CE2 3.8Å; P750-F752 HydrophobicContact CB-CZ 3.81Å; P750-F752 HydrophobicContact CG-CE2 4.48Å
753K92.9Very high89.8Confident142 Ų14254.1 Ų54.162%0.61729%0.292SS*.EExtended strand (participates in β ladder)trans-139.4126.4179.6-176.5177.5176.5-175.30110.9I735 S736 L755I735-K753 CarbonylContact C-O 3.56Å; I735-K753 WeakPolarHBondContact CA-O 3.2Å; S736-K753 PolarHBondContact N-O 3.39Å; S736-K753 PolarHBondContact O-N 2.89Å; K753-L755 PolarHBondContact O-N 3.44Å
754I90.5Very high90.2Very high39 Ų3958.3 Ų58.320%0.232%0.315CS..EExtended strand (participates in β ladder)trans-62.1127.9166.2-60.2-179.8000108.5W723 K726 L733 R734 I735W723-I754 HydrophobicContact CB-CD1 3.96Å; W723-I754 HydrophobicContact CD2-CD1 3.47Å; W723-I754 VanDerWaalsContact CD2-CD1 3.47Å; W723-I754 HydrophobicContact CD2-CG1 3.73Å; W723-I754 HydrophobicContact CE3-CD1 3.72Å; W723-I754 HydrophobicContact CE3-CG1 3.67Å; W723-I754 HydrophobicContact CG-CD1 3.6Å; W723-I754 HydrophobicContact CG-CG1 4.38Å; W723-I754 HydrophobicContact CH2-CG1 4.02Å; W723-I754 HydrophobicContact CZ2-CG1 4.1Å; W723-I754 HydrophobicContact CZ3-CD1 4.39Å; W723-I754 HydrophobicContact CZ3-CG1 3.82Å; K726-I754 HydrophobicContact CB-CD1 4.35Å; K726-I754 HydrophobicContact CD-CD1 4.2Å; L733-I754 HydrophobicContact CD1-CD1 4.08Å; L733-I754 HydrophobicContact CD1-CG1 4.01Å; L733-I754 HydrophobicContact CD1-CG2 3.87Å; R734-I754 WeakPolarHBondContact O-CA 3.34Å; I735-I754 HydrophobicContact CG1-CG1 4.48Å
755L89.9Confident90.7Very high132 Ų13255.1 Ų55.169%0.69131%0.306SS*.  trans-87.40-179.6-68.7-179.6000113T657 R734 K753T657-L755 HydrophobicContact CG2-CD1 3.61Å; R734-L755 HydrophobicContact CB-CB 4.14Å; R734-L755 HydrophobicContact CB-CD1 4.34Å; R734-L755 PolarHBondContact O-N 2.96Å; K753-L755 PolarHBondContact O-N 3.44Å

Retrieved 755 of 755 residues in 189.4 ms (Link to these results)

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