A0A096MNM8_PAPAN Loading...

Heat shock cognate 71 kDa protein

AlphaFold DB (A0A452S8E4), UniProt , Accession A0A096MNM8, Species PAPAN (Papio anubis, Olive baboon), Gene HSPA8, Length 646 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
1M37.3Very low81.7Confident236 Ų23655 Ų55100%1.16331%0.305SS*.  0129.60-63.4-178.7-163.800106.9K3M1-K3 PolarHBondContact O-N 3.49Å
2S43.8Very low83Confident118 Ų11851.4 Ų51.483%0.82529%0.29SS*.PPolyproline II helixtrans-56.4123.5171.344.30000107.9G4S2-G4 PolarHBondContact O-N 2.7Å; S2-G4 VanDerWaalsContact O-N 3.07Å
3K65.9Low84Confident157 Ų15747.9 Ų47.968%0.68327%0.27SS*.PPolyproline II helixtrans-58.9116.8172.9-70.4-179177.1-1790106M1M1-K3 PolarHBondContact O-N 3.49Å
4G74.1Confident84.9Confident22 Ų2246.4 Ų46.423%0.22726%0.263CS..PPolyproline II helixtrans-55.8159.6177.600000111.2S2 A6 N141S2-G4 PolarHBondContact O-N 2.7Å; S2-G4 VanDerWaalsContact O-N 3.07Å; G4-A6 PolarHBondContact O-N 3.32Å; G4-N141 PolarHBondContact O-ND2 2.87Å
5P89.4Confident85.8Confident33 Ų3347.1 Ų47.121%0.21426%0.26CS..PPolyproline II helixtrans-53.7138.8-177.723.4-33.1000111L135 K137 V139P5-L135 HydrophobicContact CB-CD1 3.92Å; P5-L135 HydrophobicContact CG-CD1 4.09Å; P5-K137 HydrophobicContact CG-CB 4.35Å; P5-V139 HydrophobicContact CG-CG2 4.09Å
6A95.2Very high86.6Confident12 Ų1244.2 Ų44.210%0.09924%0.244CC..EExtended strand (participates in β ladder)trans-105.3140.7172.600000110.3G4 N141 L170 A377 S381G4-A6 PolarHBondContact O-N 3.32Å; A6-N141 VanDerWaalsContact CA-O 3.31Å; A6-N141 WeakPolarHBondContact CA-O 3.3Å; A6-N141 HydrophobicContact CB-CB 3.8Å; A6-L170 HydrophobicContact CB-CD1 4.05Å; A6-A377 HydrophobicContact CB-CB 3.99Å; A6-S381 WeakPolarHBondContact CB-OG 3.42Å
7V98.3Very high87.3Confident0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-119.9152.5-178.8-63.10000111I9 V18 V20 A131 L135 V139 N141 A142 V143V7-I9 HydrophobicContact CG2-CD1 4.02Å; V7-I9 HydrophobicContact CG2-CG1 3.97Å; V7-V18 HydrophobicContact CB-CG2 4.11Å; V7-V18 HydrophobicContact CG2-CG2 4.35Å; V7-V20 HydrophobicContact CG1-CB 4.47Å; V7-V20 HydrophobicContact CG1-CG2 4.41Å; V7-A131 HydrophobicContact CG1-CB 3.86Å; V7-L135 HydrophobicContact CG1-CD1 4.5Å; V7-V139 HydrophobicContact CB-CG1 4.41Å; V7-V139 HydrophobicContact CG1-CG1 3.87Å; V7-V139 HydrophobicContact CG1-CG2 4.27Å; V7-V139 HydrophobicContact CG2-CG1 3.68Å; V7-N141 PolarHBondContact N-O 2.89Å; V7-A142 HydrophobicContact CG2-CB 4.08Å; V7-A142 CarbonylContact O-C 3.55Å; V7-A142 VanDerWaalsContact O-CA 3.25Å; V7-A142 WeakPolarHBondContact O-CA 3.37Å; V7-V143 PolarHBondContact O-N 3.49Å
8G98.6Very high88Confident0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-96.1125.3167.100000109.9V18 G19G8-V18 WeakPolarHBondContact O-CA 3.27Å; G8-G19 PolarHBondContact N-O 2.96Å; G8-G19 PolarHBondContact O-N 2.88Å
9I98.8Very high88.5Confident0 Ų037.4 Ų37.40%021%0.207CC..EExtended strand (participates in β ladder)trans-118.8118.2178.7-57.7171.1000108.8V7 C17 V18 L124 M127 A142 V143 V144 T145 L167V7-I9 HydrophobicContact CG2-CD1 4.02Å; V7-I9 HydrophobicContact CG2-CG1 3.97Å; I9-C17 WeakPolarHBondContact CA-O 3.15Å; I9-V18 HydrophobicContact CG1-CB 4.41Å; I9-V18 HydrophobicContact CG1-CG2 3.93Å; I9-L124 HydrophobicContact CB-CD2 4.47Å; I9-L124 HydrophobicContact CD1-CD2 4.26Å; I9-L124 HydrophobicContact CG2-CD2 3.75Å; I9-M127 HydrophobicContact CD1-CB 4.09Å; I9-M127 HydrophobicContact CG1-CB 4.34Å; I9-M127 HydrophobicContact CG2-CB 4.04Å; I9-M127 HydrophobicContact CG2-CG 3.9Å; I9-A142 HydrophobicContact CD1-CB 4.15Å; I9-V143 PolarHBondContact N-O 2.9Å; I9-V144 WeakPolarHBondContact O-CA 3.49Å; I9-T145 PolarHBondContact O-N 3.18Å; I9-L167 HydrophobicContact CD1-CD1 3.86Å
10D98.7Very high89Confident20 Ų2035.7 Ų35.711%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-81.5107.8160.5-178.421.4000109.6G12 S16 C17 T145 V369 A370D10-G12 PolarHBondContact O-N 2.83Å; D10-S16 CarbonylContact O-C 3.49Å; D10-S16 WeakPolarHBondContact O-CA 3.47Å; D10-S16 WeakPolarHBondContact O-CB 3.25Å; D10-C17 HydrophobicContact CB-CB 4.21Å; D10-C17 PolarHBondContact N-O 3.49Å; D10-C17 PolarHBondContact O-N 2.79Å; D10-T145 VanDerWaalsContact CA-OG1 3.27Å; D10-T145 WeakPolarHBondContact CA-OG1 3.43Å; D10-T145 HydrophobicContact CB-CG2 4.49Å; D10-T145 PolarHBondContact OD1-OG1 2.89Å; D10-V369 HydrophobicContact CB-CB 4.21Å; D10-V369 HydrophobicContact CB-CG1 3.85Å; D10-V369 VanDerWaalsContact CG-CG1 3.46Å; D10-V369 WeakPolarHBondContact OD1-CG1 3.41Å; D10-A370 HydrophobicContact CB-CB 3.83Å
11L98.5Very high89.3Confident7 Ų734.6 Ų34.64%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-93.679175.6177.862.8000108.6K71 V123 L124 V144 T145 T158L11-K71 WeakPolarHBondContact O-CD 3.26Å; L11-K71 WeakPolarHBondContact O-CE 3.34Å; L11-K71 PolarHBondContact O-NZ 2.96Å; L11-V123 HydrophobicContact CD1-CB 4.15Å; L11-V123 HydrophobicContact CD1-CG1 3.78Å; L11-L124 HydrophobicContact CB-CD2 4.2Å; L11-L124 HydrophobicContact CD1-CD2 4.15Å; L11-L124 HydrophobicContact CD1-CG 4.3Å; L11-L124 HydrophobicContact CD2-CD1 4.22Å; L11-L124 HydrophobicContact CD2-CD2 4.12Å; L11-L124 HydrophobicContact CD2-CG 4.16Å; L11-L124 HydrophobicContact CG-CD2 4.38Å; L11-V144 HydrophobicContact CB-CG1 4.15Å; L11-T145 PolarHBondContact N-OG1 3.48Å; L11-T158 HydrophobicContact CD2-CG2 4.06Å
12G97Very high91.8Very high12 Ų1226.1 Ų26.112%0.12415%0.148CC..  trans-80.5165.7-17700000114D10 Y15 S40D10-G12 PolarHBondContact O-N 2.83Å; G12-Y15 CarbonylContact C-O 3.58Å; G12-Y15 WeakPolarHBondContact CA-O 3.47Å; G12-Y15 PolarHBondContact N-O 2.67Å; G12-S40 WeakPolarHBondContact O-CB 3.46Å; G12-S40 PolarHBondContact O-OG 2.91Å
13T96.6Very high93.9Very high6 Ų628.2 Ų28.24%0.03715%0.145CC..SBendtrans-63.3-45.5179.9-57.70000111.7S40 D69 R72T13-S40 WeakPolarHBondContact O-CB 3.49Å; T13-D69 HydrophobicContact CG2-CB 4.24Å; T13-R72 HydrophobicContact CG2-CG 4.2Å
14T96.8Very high94.9Very high27 Ų2721.9 Ų21.917%0.16612%0.123CC..SBendtrans-104.2-32.9-175.448.40000113.4P39 S40 E231T14-P39 WeakPolarHBondContact O-CA 3.49Å; T14-S40 PolarHBondContact O-N 2.8Å; T14-E231 HydrophobicContact CG2-CG 4.07Å
15Y98.1Very high95.7Very high56 Ų5626.2 Ų26.222%0.2214%0.136CC..EExtended strand (participates in β ladder)trans-141.4143.9-178-74-89000109G12 T38 P39 S40 K56 R272G12-Y15 CarbonylContact C-O 3.58Å; G12-Y15 WeakPolarHBondContact CA-O 3.47Å; G12-Y15 PolarHBondContact N-O 2.67Å; Y15-T38 CarbonylContact C-O 3.4Å; Y15-T38 WeakPolarHBondContact CA-O 3.16Å; Y15-P39 HydrophobicContact CD1-CB 4.44Å; Y15-P39 HydrophobicContact CD1-CG 4.17Å; Y15-P39 HydrophobicContact CE1-CB 4.31Å; Y15-P39 HydrophobicContact CE1-CG 3.73Å; Y15-S40 VanDerWaalsContact C-OG 3.32Å; Y15-S40 PolarHBondContact N-OG 3.36Å; Y15-K56 PolarHBondContact OH-NZ 2.97Å; Y15-R272 PolarHBondContact OH-NH2 2.81Å
16S98.8Very high96Very high1 Ų125.4 Ų25.41%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-112.2152.6170-61.50000110.3D10 T37 T38 S40 V123D10-S16 CarbonylContact O-C 3.49Å; D10-S16 WeakPolarHBondContact O-CA 3.47Å; D10-S16 WeakPolarHBondContact O-CB 3.25Å; S16-T37 CarbonylContact O-C 3.55Å; S16-T37 WeakPolarHBondContact O-CA 3.42Å; S16-T38 PolarHBondContact N-O 3.45Å; S16-T38 PolarHBondContact O-N 2.84Å; S16-S40 PolarHBondContact N-OG 3.12Å; S16-S40 PolarHBondContact OG-OG 3.37Å; S16-V123 WeakPolarHBondContact OG-CG1 3.49Å
17C98.7Very high96.1Very high1 Ų126.4 Ų26.41%0.00713%0.133CC..EExtended strand (participates in β ladder)trans-137.2143.6-179.8-177.60000109.3I9 D10 I28 R36 T37 A370I9-C17 WeakPolarHBondContact CA-O 3.15Å; D10-C17 HydrophobicContact CB-CB 4.21Å; D10-C17 PolarHBondContact N-O 3.49Å; D10-C17 PolarHBondContact O-N 2.79Å; C17-I28 VanDerWaalsContact SG-CG2 3.58Å; C17-R36 PolarHBondContact SG-O 2.68Å; C17-R36 VanDerWaalsContact SG-O 3.39Å; C17-T37 HydrophobicContact CB-CG2 4.4Å; C17-A370 HydrophobicContact CB-CB 3.72Å; C17-A370 WeakPolarHBondContact SG-CB 3.35Å
18V98.8Very high96.1Very high2 Ų227.7 Ų27.71%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-126.9134.4178.860.50000110.5V7 G8 I9 I29 M127 I130 A131V7-V18 HydrophobicContact CB-CG2 4.11Å; V7-V18 HydrophobicContact CG2-CG2 4.35Å; G8-V18 WeakPolarHBondContact O-CA 3.27Å; I9-V18 HydrophobicContact CG1-CB 4.41Å; I9-V18 HydrophobicContact CG1-CG2 3.93Å; V18-I29 HydrophobicContact CG1-CB 4.23Å; V18-I29 PolarHBondContact O-N 3.36Å; V18-M127 HydrophobicContact CB-CB 4.26Å; V18-M127 HydrophobicContact CB-SD 4.37Å; V18-M127 HydrophobicContact CG1-SD 4.27Å; V18-I130 HydrophobicContact CG1-CB 4.34Å; V18-I130 HydrophobicContact CG1-CG2 3.88Å; V18-A131 HydrophobicContact CG2-CB 4.13Å
19G98.3Very high96.1Very high0 Ų027.8 Ų27.80%014%0.14CC..EExtended strand (participates in β ladder)trans-130.5156.217800000112G8 E27G8-G19 PolarHBondContact N-O 2.96Å; G8-G19 PolarHBondContact O-N 2.88Å; G19-E27 VanDerWaalsContact CA-O 3.28Å; G19-E27 WeakPolarHBondContact CA-O 3.46Å
20V97.6Very high96Very high3 Ų330 Ų302%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-133.2145.6174690000109.5V7 Q22 V26 E27 I29 Y134 L135V7-V20 HydrophobicContact CG1-CB 4.47Å; V7-V20 HydrophobicContact CG1-CG2 4.41Å; V20-Q22 HydrophobicContact CG1-CG 4.31Å; V20-Q22 HydrophobicContact CG2-CG 4.03Å; V20-V26 WeakPolarHBondContact O-CA 3.32Å; V20-E27 HydrophobicContact CG1-CB 4.3Å; V20-E27 PolarHBondContact N-O 2.95Å; V20-E27 PolarHBondContact O-N 3.15Å; V20-I29 HydrophobicContact CB-CD1 4.17Å; V20-I29 HydrophobicContact CG1-CD1 3.92Å; V20-I29 HydrophobicContact CG1-CG1 4.3Å; V20-Y134 HydrophobicContact CG1-CE1 4.32Å; V20-L135 HydrophobicContact CG1-CD2 4.39Å; V20-L135 HydrophobicContact CG2-CD1 4.35Å; V20-L135 HydrophobicContact CG2-CD2 4.45Å
21F95.1Very high96Very high14 Ų1429.6 Ų29.66%0.06116%0.157CC..EExtended strand (participates in β ladder)trans-95.3119.4170.5-170.8-87.8000109.4K25 V26 A378 V388F21-K25 CarbonylContact C-O 3.55Å; F21-K25 WeakPolarHBondContact CA-O 3.2Å; F21-V26 HydrophobicContact CD2-CG2 3.8Å; F21-A378 HydrophobicContact CB-CB 3.53Å; F21-A378 HydrophobicContact CD1-CB 3.8Å; F21-A378 HydrophobicContact CD2-CB 4.4Å; F21-A378 HydrophobicContact CG-CB 3.67Å; F21-V388 HydrophobicContact CD2-CG1 4.34Å; F21-V388 HydrophobicContact CE2-CG1 3.62Å; F21-V388 HydrophobicContact CZ-CG1 3.73Å; F21-V388 HydrophobicContact CZ-CG2 4.37Å
22Q90.1Very high95.6Very high57 Ų5734.9 Ų34.927%0.26619%0.185SC..EExtended strand (participates in β ladder)trans-147148.8175.4-66.1-165.3-500110.7V20 G24 K25V20-Q22 HydrophobicContact CG1-CG 4.31Å; V20-Q22 HydrophobicContact CG2-CG 4.03Å; Q22-G24 PolarHBondContact O-N 2.95Å; Q22-K25 PolarHBondContact N-O 2.93Å; Q22-K25 WeakPolarHBondContact O-CG 3.4Å; Q22-K25 PolarHBondContact O-N 3.16Å; Q22-K25 VanDerWaalsContact O-N 3.16Å
23H88.3Confident95.4Very high163 Ų16339.3 Ų39.376%0.75520%0.202SC*.THydrogen-bonded Turntrans54.937.2176.9-45.3114000113K25H23-K25 VanDerWaalsContact C-N 3.31Å; H23-K25 PolarHBondContact O-N 2.97Å
24G87.1Confident95.3Very high23 Ų2341.5 Ų41.524%0.23723%0.226CC..THydrogen-bonded Turntrans77.27.4177.100000115.8Q22 N387Q22-G24 PolarHBondContact O-N 2.95Å; G24-N387 PolarHBondContact O-ND2 3.37Å
25K91.8Very high95.3Very high113 Ų11343.3 Ų43.349%0.49124%0.235SC..EExtended strand (participates in β ladder)trans-140.1162.7-179.963177-177.31700111.7F21 Q22 H23 E27F21-K25 CarbonylContact C-O 3.55Å; F21-K25 WeakPolarHBondContact CA-O 3.2Å; Q22-K25 PolarHBondContact N-O 2.93Å; Q22-K25 WeakPolarHBondContact O-CG 3.4Å; Q22-K25 PolarHBondContact O-N 3.16Å; Q22-K25 VanDerWaalsContact O-N 3.16Å; H23-K25 VanDerWaalsContact C-N 3.31Å; H23-K25 PolarHBondContact O-N 2.97Å; K25-E27 WeakPolarHBondContact CE-OE1 3.42Å; K25-E27 IonicContact NZ-OE1 3.49Å; K25-E27 PolarHBondContact NZ-OE1 3.39Å
26V95.3Very high95.3Very high17 Ų1747 Ų4710%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-86.5138.1169.4177.20000110.4V20 F21 I28 Y371 A374 V375V20-V26 WeakPolarHBondContact O-CA 3.32Å; F21-V26 HydrophobicContact CD2-CG2 3.8Å; V26-I28 HydrophobicContact CG1-CD1 4.23Å; V26-Y371 HydrophobicContact CB-CD1 4.28Å; V26-Y371 HydrophobicContact CB-CD2 3.66Å; V26-Y371 HydrophobicContact CB-CE1 4.07Å; V26-Y371 HydrophobicContact CB-CE2 3.46Å; V26-Y371 VanDerWaalsContact CB-CE2 3.46Å; V26-Y371 HydrophobicContact CB-CG 4.07Å; V26-Y371 HydrophobicContact CG1-CD1 4.42Å; V26-Y371 HydrophobicContact CG1-CD2 3.59Å; V26-Y371 HydrophobicContact CG1-CE2 3.96Å; V26-Y371 HydrophobicContact CG1-CG 3.85Å; V26-Y371 HydrophobicContact CG2-CD1 3.87Å; V26-Y371 HydrophobicContact CG2-CD2 4.17Å; V26-Y371 HydrophobicContact CG2-CE1 3.57Å; V26-Y371 HydrophobicContact CG2-CE2 3.95Å; V26-Y371 HydrophobicContact CG2-CG 4.13Å; V26-A374 HydrophobicContact CG1-CB 3.97Å; V26-A374 HydrophobicContact CG2-CB 4.43Å; V26-V375 HydrophobicContact CG2-CG2 3.55Å
27E96.7Very high95.3Very high33 Ų3348.8 Ų48.815%0.15426%0.259CS..EExtended strand (participates in β ladder)trans-118.8121.1171-62.9-175.7163.700109.2G19 V20 K25 Y134G19-E27 VanDerWaalsContact CA-O 3.28Å; G19-E27 WeakPolarHBondContact CA-O 3.46Å; V20-E27 HydrophobicContact CG1-CB 4.3Å; V20-E27 PolarHBondContact N-O 2.95Å; V20-E27 PolarHBondContact O-N 3.15Å; K25-E27 WeakPolarHBondContact CE-OE1 3.42Å; K25-E27 IonicContact NZ-OE1 3.49Å; K25-E27 PolarHBondContact NZ-OE1 3.39Å; E27-Y134 WeakPolarHBondContact OE2-CE1 3.41Å; E27-Y134 PolarHBondContact OE2-OH 3.44Å
28I98.2Very high95.3Very high26 Ų2648.9 Ų48.913%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-84.7124.6171.3-58.7-60.9000108.3C17 V26 R36 E367 A370C17-I28 VanDerWaalsContact SG-CG2 3.58Å; V26-I28 HydrophobicContact CG1-CD1 4.23Å; I28-R36 HydrophobicContact CG2-CB 3.92Å; I28-R36 HydrophobicContact CG2-CG 4.17Å; I28-E367 HydrophobicContact CD1-CB 4.43Å; I28-E367 HydrophobicContact CG1-CB 4.17Å; I28-E367 HydrophobicContact CG1-CG 4.44Å; I28-E367 HydrophobicContact CG2-CG 4.25Å; I28-A370 HydrophobicContact CD1-CB 4.21Å
29I98.4Very high95.3Very high3 Ų348.8 Ų48.82%0.01526%0.259CS..PPolyproline II helixtrans-93.4127-167.9-54.7166.1000109.2V18 V20 I130 A131 Y134V18-I29 HydrophobicContact CG1-CB 4.23Å; V18-I29 PolarHBondContact O-N 3.36Å; V20-I29 HydrophobicContact CB-CD1 4.17Å; V20-I29 HydrophobicContact CG1-CD1 3.92Å; V20-I29 HydrophobicContact CG1-CG1 4.3Å; I29-I130 HydrophobicContact CB-CG2 4.28Å; I29-I130 HydrophobicContact CG2-CG2 3.6Å; I29-A131 HydrophobicContact CD1-CB 3.95Å; I29-Y134 HydrophobicContact CD1-CD1 3.99Å; I29-Y134 HydrophobicContact CD1-CG 4.37Å; I29-Y134 HydrophobicContact CG1-CD1 3.95Å; I29-Y134 HydrophobicContact CG1-CE1 4.37Å; I29-Y134 HydrophobicContact CG1-CG 4.18Å; I29-Y134 HydrophobicContact CG2-CD1 4.36Å; I29-Y134 HydrophobicContact CG2-CD2 4.04Å; I29-Y134 HydrophobicContact CG2-CG 3.73Å
30A98Very high95.3Very high46 Ų4649.4 Ų49.438%0.3826%0.263SS..PPolyproline II helixtrans-76.4144.7173.100000111N35 R36A30-N35 CarbonylContact C-O 3.27Å; A30-N35 WeakPolarHBondContact CA-O 3.21Å; A30-R36 HydrophobicContact CB-CG 4.45Å
31N97Very high95.3Very high12 Ų1249.5 Ų49.56%0.06426%0.264CS..  trans-75.2-177.917474.48.7000112.2Q33 G34 N35 T38 D53 I130N31-Q33 PolarHBondContact O-N 2.88Å; N31-Q33 VanDerWaalsContact O-N 3.12Å; N31-Q33 WeakPolarHBondContact OD1-CA 3.39Å; N31-Q33 WeakPolarHBondContact OD1-CB 3.49Å; N31-Q33 PolarHBondContact OD1-N 2.75Å; N31-G34 PolarHBondContact O-N 2.84Å; N31-G34 PolarHBondContact OD1-N 3.19Å; N31-N35 PolarHBondContact N-O 2.68Å; N31-N35 PolarHBondContact OD1-N 3.23Å; N31-N35 PolarHBondContact OD1-O 3.45Å; N31-T38 PolarHBondContact ND2-OG1 2.82Å; N31-D53 PolarHBondContact ND2-OD2 3.33Å; N31-I130 HydrophobicContact CB-CD1 3.54Å; N31-I130 HydrophobicContact CB-CG1 3.99Å
32D91.1Very high95.5Very high118 Ų11848.9 Ų48.963%0.63126%0.261SS*.THydrogen-bonded Turntrans-61.3-15.717949.65000114.6K126D32-K126 IonicContact OD1-NZ 3.48Å; D32-K126 IonicContact OD2-NZ 2.7Å; D32-K126 PolarHBondContact OD2-NZ 2.76Å
33Q92.4Very high95.9Very high104 Ų10446.1 Ų46.149%0.48625%0.248SC..THydrogen-bonded Turntrans-994.3172.5-57.5-159.7-12.500113.6N31 N35 D53N31-Q33 PolarHBondContact O-N 2.88Å; N31-Q33 VanDerWaalsContact O-N 3.12Å; N31-Q33 WeakPolarHBondContact OD1-CA 3.39Å; N31-Q33 WeakPolarHBondContact OD1-CB 3.49Å; N31-Q33 PolarHBondContact OD1-N 2.75Å; Q33-N35 VanDerWaalsContact C-N 3.32Å; Q33-D53 HydrophobicContact CG-CB 4.49Å; Q33-D53 VanDerWaalsContact OE1-CB 3.25Å
34G95.1Very high96.3Very high53 Ų5338.5 Ų38.555%0.54621%0.213SC..SBendtrans80.18.3-177.400000114.4N31N31-G34 PolarHBondContact O-N 2.84Å; N31-G34 PolarHBondContact OD1-N 3.19Å
35N97.5Very high96.6Very high65 Ų6538.8 Ų38.835%0.34821%0.21SC..  trans-88.4132.9178.6-60.2-45.5000110.7A30 N31 Q33 T37 D53A30-N35 CarbonylContact C-O 3.27Å; A30-N35 WeakPolarHBondContact CA-O 3.21Å; N31-N35 PolarHBondContact N-O 2.68Å; N31-N35 PolarHBondContact OD1-N 3.23Å; N31-N35 PolarHBondContact OD1-O 3.45Å; Q33-N35 VanDerWaalsContact C-N 3.32Å; N35-T37 VanDerWaalsContact C-N 3.27Å; N35-T37 WeakPolarHBondContact CB-O 3.38Å; N35-T37 PolarHBondContact O-N 3.15Å; N35-D53 PolarHBondContact ND2-OD2 2.95Å
36R97.6Very high96.4Very high134 Ų13439.3 Ų39.351%0.50622%0.218SC..SBendtrans-75.6-14.4176.3-71.4-177.4177.7-178.5-2.2114.6C17 I28 A30 E367C17-R36 PolarHBondContact SG-O 2.68Å; C17-R36 VanDerWaalsContact SG-O 3.39Å; I28-R36 HydrophobicContact CG2-CB 3.92Å; I28-R36 HydrophobicContact CG2-CG 4.17Å; A30-R36 HydrophobicContact CB-CG 4.45Å; R36-E367 WeakPolarHBondContact CD-OE1 3.47Å; R36-E367 IonicContact CZ-OE1 3.06Å; R36-E367 IonicContact NE-OE1 3.45Å; R36-E367 IonicContact NH1-OE1 2.89Å; R36-E367 PolarHBondContact NH1-OE1 3.06Å; R36-E367 VanDerWaalsContact NH1-OE1 3.09Å; R36-E367 IonicContact NH1-OE2 3.17Å; R36-E367 PolarHBondContact NH1-OE2 3.37Å
37T97.9Very high95.9Very high37 Ų3742.4 Ų42.423%0.22724%0.237CC..EExtended strand (participates in β ladder)trans-123.6138.4173.761.60000108.7S16 C17 N35 D366S16-T37 CarbonylContact O-C 3.55Å; S16-T37 WeakPolarHBondContact O-CA 3.42Å; C17-T37 HydrophobicContact CB-CG2 4.4Å; N35-T37 VanDerWaalsContact C-N 3.27Å; N35-T37 WeakPolarHBondContact CB-O 3.38Å; N35-T37 PolarHBondContact O-N 3.15Å; T37-D366 HydrophobicContact CG2-CB 4.41Å
38T98.6Very high95.6Very high4 Ų443.6 Ų43.63%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-113131.9178.8-61.90000109.7Y15 S16 N31 S40 G52 K126 M127Y15-T38 CarbonylContact C-O 3.4Å; Y15-T38 WeakPolarHBondContact CA-O 3.16Å; S16-T38 PolarHBondContact N-O 3.45Å; S16-T38 PolarHBondContact O-N 2.84Å; N31-T38 PolarHBondContact ND2-OG1 2.82Å; T38-S40 PolarHBondContact O-N 3.21Å; T38-G52 VanDerWaalsContact CG2-CA 3.48Å; T38-K126 HydrophobicContact CG2-CG 4.47Å; T38-M127 HydrophobicContact CG2-CE 3.64Å
39P98.4Very high95.3Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-54.9138.7176.8-2633.4000113.1T14 Y15 Y41 G52 D53 K56T14-P39 WeakPolarHBondContact O-CA 3.49Å; Y15-P39 HydrophobicContact CD1-CB 4.44Å; Y15-P39 HydrophobicContact CD1-CG 4.17Å; Y15-P39 HydrophobicContact CE1-CB 4.31Å; Y15-P39 HydrophobicContact CE1-CG 3.73Å; P39-Y41 HydrophobicContact CB-CD2 3.76Å; P39-Y41 HydrophobicContact CB-CE2 4.5Å; P39-Y41 HydrophobicContact CB-CG 4.32Å; P39-Y41 PolarHBondContact O-N 2.73Å; P39-G52 WeakPolarHBondContact O-CA 3.45Å; P39-D53 WeakPolarHBondContact CD-OD1 3.36Å; P39-D53 VanDerWaalsContact CG-OD1 3.24Å; P39-D53 WeakPolarHBondContact CG-OD1 3.39Å; P39-K56 HydrophobicContact CB-CB 4.07Å; P39-K56 HydrophobicContact CB-CD 3.82Å; P39-K56 HydrophobicContact CG-CB 4.12Å; P39-K56 HydrophobicContact CG-CD 3.62Å; P39-K56 HydrophobicContact CG-CG 4.49Å
40S98.6Very high95.2Very high12 Ų1244.8 Ų44.88%0.08425%0.248CC..  trans-80.458.8175.3-54.70000111.1G12 T13 T14 Y15 S16 T38G12-S40 WeakPolarHBondContact O-CB 3.46Å; G12-S40 PolarHBondContact O-OG 2.91Å; T13-S40 WeakPolarHBondContact O-CB 3.49Å; T14-S40 PolarHBondContact O-N 2.8Å; Y15-S40 VanDerWaalsContact C-OG 3.32Å; Y15-S40 PolarHBondContact N-OG 3.36Å; S16-S40 PolarHBondContact N-OG 3.12Å; S16-S40 PolarHBondContact OG-OG 3.37Å; T38-S40 PolarHBondContact O-N 3.21Å
41Y98.6Very high95.2Very high6 Ų643.6 Ų43.62%0.02423%0.234CC..  trans-121138.9-174.4-81.1-120.5000110P39 I51 G52 K56 V59 T66 V67 F68 R261P39-Y41 HydrophobicContact CB-CD2 3.76Å; P39-Y41 HydrophobicContact CB-CE2 4.5Å; P39-Y41 HydrophobicContact CB-CG 4.32Å; P39-Y41 PolarHBondContact O-N 2.73Å; Y41-I51 WeakPolarHBondContact O-CA 3.42Å; Y41-G52 PolarHBondContact O-N 3.48Å; Y41-K56 HydrophobicContact CD1-CB 4.05Å; Y41-K56 HydrophobicContact CD1-CG 4.34Å; Y41-K56 HydrophobicContact CE1-CB 4.5Å; Y41-K56 HydrophobicContact CE1-CG 4.29Å; Y41-K56 HydrophobicContact CG-CB 4.09Å; Y41-V59 HydrophobicContact CE1-CG2 4.23Å; Y41-T66 HydrophobicContact CD1-CG2 3.92Å; Y41-V67 WeakPolarHBondContact CA-O 3.32Å; Y41-F68 HydrophobicContact CD1-CB 3.83Å; Y41-F68 HydrophobicContact CD1-CD1 4.21Å; Y41-F68 HydrophobicContact CD1-CG 4.31Å; Y41-F68 HydrophobicContact CD2-CB 3.83Å; Y41-F68 HydrophobicContact CE1-CB 3.65Å; Y41-F68 AromaticContact CE1-CD1 3.7Å; Y41-F68 HydrophobicContact CE1-CD1 3.7Å; Y41-F68 AromaticContact CE1-CG 3.73Å; Y41-F68 HydrophobicContact CE1-CG 3.73Å; Y41-F68 HydrophobicContact CE2-CB 3.61Å; Y41-F68 HydrophobicContact CE2-CG 4.29Å; Y41-F68 HydrophobicContact CG-CB 3.91Å; Y41-F68 AromaticContact CZ-CG 3.7Å; Y41-R261 PolarHBondContact OH-NH1 3.31Å
42V98.5Very high95.3Very high0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-131.1123.8172.8-176.80000108.4F44 R49 L50 I51 T66 V67 V119 M122 V123V42-F44 HydrophobicContact CG1-CD2 4.49Å; V42-F44 HydrophobicContact CG1-CE1 4.43Å; V42-F44 HydrophobicContact CG1-CE2 3.77Å; V42-F44 HydrophobicContact CG1-CZ 3.75Å; V42-R49 HydrophobicContact CG1-CG 3.84Å; V42-L50 CarbonylContact C-O 3.45Å; V42-L50 WeakPolarHBondContact CA-O 3.1Å; V42-I51 HydrophobicContact CG1-CG1 4.45Å; V42-I51 HydrophobicContact CG2-CG2 4.41Å; V42-T66 CarbonylContact O-C 3.58Å; V42-T66 WeakPolarHBondContact O-CA 3.3Å; V42-V67 PolarHBondContact N-O 3.4Å; V42-V67 PolarHBondContact O-N 3.43Å; V42-V119 HydrophobicContact CB-CG1 4.27Å; V42-V119 HydrophobicContact CG2-CG1 3.95Å; V42-M122 HydrophobicContact CG1-CB 4.46Å; V42-M122 HydrophobicContact CG1-SD 3.7Å; V42-M122 HydrophobicContact CG2-CB 3.99Å; V42-V123 HydrophobicContact CG2-CG2 3.9Å
43A98.1Very high95.5Very high0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-117.7142.1175.700000111.2R49 L50 A55 N65 T66A43-R49 CarbonylContact O-C 3.55Å; A43-R49 WeakPolarHBondContact O-CA 3.42Å; A43-L50 HydrophobicContact CB-CB 4.27Å; A43-L50 PolarHBondContact N-O 3.13Å; A43-L50 PolarHBondContact O-N 3.32Å; A43-A55 HydrophobicContact CB-CB 3.81Å; A43-N65 CarbonylContact C-O 3.51Å; A43-N65 WeakPolarHBondContact CA-O 3.29Å; A43-T66 HydrophobicContact CB-CG2 4.02Å
44F96.9Very high95.7Very high2 Ų235.2 Ų35.21%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-110.8129177.3-57.8-92.9000108.5V42 R49 N62 N65 V67 V105 Y107 F114 M122V42-F44 HydrophobicContact CG1-CD2 4.49Å; V42-F44 HydrophobicContact CG1-CE1 4.43Å; V42-F44 HydrophobicContact CG1-CE2 3.77Å; V42-F44 HydrophobicContact CG1-CZ 3.75Å; F44-R49 HydrophobicContact CD1-CG 4.25Å; F44-R49 HydrophobicContact CE1-CG 4.16Å; F44-N62 PolarHBondContact O-ND2 3.33Å; F44-N65 HydrophobicContact CB-CB 4.42Å; F44-N65 PolarHBondContact N-O 2.87Å; F44-N65 WeakPolarHBondContact O-CB 3.32Å; F44-V67 HydrophobicContact CD2-CG2 4.49Å; F44-V67 HydrophobicContact CE2-CG2 4.03Å; F44-V105 HydrophobicContact CB-CG2 4.26Å; F44-V105 HydrophobicContact CD1-CG2 4.32Å; F44-V105 HydrophobicContact CD2-CB 4.04Å; F44-V105 HydrophobicContact CD2-CG1 3.95Å; F44-V105 HydrophobicContact CD2-CG2 3.64Å; F44-V105 HydrophobicContact CE2-CG1 4.27Å; F44-V105 HydrophobicContact CE2-CG2 3.99Å; F44-V105 HydrophobicContact CG-CB 4.42Å; F44-V105 HydrophobicContact CG-CG2 3.81Å; F44-V105 HydrophobicContact CZ-CG2 4.46Å; F44-Y107 HydrophobicContact CB-CD2 3.9Å; F44-Y107 HydrophobicContact CB-CG 4.24Å; F44-Y107 HydrophobicContact CD1-CD1 4.38Å; F44-Y107 AromaticContact CD1-CD2 3.99Å; F44-Y107 HydrophobicContact CD1-CD2 3.99Å; F44-Y107 AromaticContact CD1-CG 3.92Å; F44-Y107 HydrophobicContact CD1-CG 3.92Å; F44-Y107 HydrophobicContact CG-CD2 4.46Å; F44-F114 HydrophobicContact CD1-CE2 4.13Å; F44-F114 HydrophobicContact CD1-CZ 4.44Å; F44-F114 HydrophobicContact CE1-CD2 4.21Å; F44-F114 AromaticContact CE1-CE2 3.5Å; F44-F114 HydrophobicContact CE1-CE2 3.5Å; F44-F114 AromaticContact CE1-CZ 3.7Å; F44-F114 HydrophobicContact CE1-CZ 3.7Å; F44-F114 HydrophobicContact CE2-CD2 4.38Å; F44-F114 HydrophobicContact CE2-CE2 4.31Å; F44-F114 AromaticContact CZ-CD2 3.83Å; F44-F114 HydrophobicContact CZ-CD2 3.83Å; F44-F114 AromaticContact CZ-CE2 3.6Å; F44-F114 HydrophobicContact CZ-CE2 3.6Å; F44-F114 HydrophobicContact CZ-CZ 4.14Å; F44-M122 HydrophobicContact CE1-CE 4.31Å; F44-M122 HydrophobicContact CE1-SD 4.21Å; F44-M122 HydrophobicContact CZ-CE 4.12Å; F44-M122 HydrophobicContact CZ-SD 3.85Å
45T93.3Very high95.8Very high29 Ų2932.7 Ų32.718%0.17817%0.173CC..  trans-118.6179.3177.778.50000110.4T47 E48 L50 Y107 K108T45-T47 PolarHBondContact O-N 2.92Å; T45-T47 PolarHBondContact OG1-N 3.02Å; T45-T47 PolarHBondContact OG1-OG1 2.89Å; T45-E48 PolarHBondContact N-O 2.91Å; T45-E48 PolarHBondContact OG1-N 2.71Å; T45-E48 PolarHBondContact OG1-O 3.41Å; T45-L50 HydrophobicContact CG2-CD1 4.14Å; T45-L50 HydrophobicContact CG2-CG 4.4Å; T45-Y107 WeakPolarHBondContact O-CD2 3.21Å; T45-K108 PolarHBondContact O-N 2.67Å
46D88.6Confident95.8Very high125 Ų12531.4 Ų31.467%0.66816%0.164SC*.SBendtrans-68.6-13.7175.7-60.8-35.3000112.9K108D46-K108 WeakPolarHBondContact O-CG 3.47Å
47T85.3Confident95.6Very high81 Ų8130.5 Ų30.550%0.49717%0.169SC..SBendtrans-120.3-39.5-173.5540000113.3T45 K108T45-T47 PolarHBondContact O-N 2.92Å; T45-T47 PolarHBondContact OG1-N 3.02Å; T45-T47 PolarHBondContact OG1-OG1 2.89Å; T47-K108 WeakPolarHBondContact O-CE 3.41Å
48E88.8Confident95.5Very high58 Ų5830.3 Ų30.327%0.27117%0.166SC..  trans-150.7170.9-167.371.6-169.8124.700112.6T45 L50 Q532T45-E48 PolarHBondContact N-O 2.91Å; T45-E48 PolarHBondContact OG1-N 2.71Å; T45-E48 PolarHBondContact OG1-O 3.41Å; E48-L50 HydrophobicContact CG-CD2 3.84Å; E48-L50 HydrophobicContact CG-CG 4.32Å; E48-Q532 HydrophobicContact CB-CG 4.25Å
49R93.6Very high95.3Very high20 Ų2030.3 Ų30.38%0.07517%0.166CC..EExtended strand (participates in β ladder)trans-106.4129.1170-176.9-179.555.8-163.5-2.9108.9V42 A43 F44 I51 M122 D529V42-R49 HydrophobicContact CG1-CG 3.84Å; A43-R49 CarbonylContact O-C 3.55Å; A43-R49 WeakPolarHBondContact O-CA 3.42Å; F44-R49 HydrophobicContact CD1-CG 4.25Å; F44-R49 HydrophobicContact CE1-CG 4.16Å; R49-I51 HydrophobicContact CG-CG1 4.3Å; R49-M122 WeakPolarHBondContact CD-SD 3.24Å; R49-M122 VanDerWaalsContact NH1-CG 3.29Å; R49-M122 PolarHBondContact NH1-SD 3.37Å; R49-D529 IonicContact CZ-OD2 2.71Å; R49-D529 IonicContact NE-OD2 3.67Å; R49-D529 IonicContact NH2-OD2 2.67Å; R49-D529 PolarHBondContact NH2-OD2 3.49Å
50L95.8Very high95.1Very high35 Ų3531.5 Ų31.518%0.18318%0.175CC..EExtended strand (participates in β ladder)trans-102.9139.6175.3-54.9174.8000108.7V42 A43 T45 E48 A54 A55 Q58V42-L50 CarbonylContact C-O 3.45Å; V42-L50 WeakPolarHBondContact CA-O 3.1Å; A43-L50 HydrophobicContact CB-CB 4.27Å; A43-L50 PolarHBondContact N-O 3.13Å; A43-L50 PolarHBondContact O-N 3.32Å; T45-L50 HydrophobicContact CG2-CD1 4.14Å; T45-L50 HydrophobicContact CG2-CG 4.4Å; E48-L50 HydrophobicContact CG-CD2 3.84Å; E48-L50 HydrophobicContact CG-CG 4.32Å; L50-A54 HydrophobicContact CB-CB 4.11Å; L50-A54 HydrophobicContact CD2-CB 4.26Å; L50-A55 HydrophobicContact CB-CB 4.14Å; L50-A55 WeakPolarHBondContact O-CB 3.36Å; L50-Q58 HydrophobicContact CD1-CG 3.83Å
51I97.8Very high94.9Very high20 Ų2038.2 Ų38.210%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-132.1140.7178.9-52.1166.2000108.4Y41 V42 R49 M122 K126Y41-I51 WeakPolarHBondContact O-CA 3.42Å; V42-I51 HydrophobicContact CG1-CG1 4.45Å; V42-I51 HydrophobicContact CG2-CG2 4.41Å; R49-I51 HydrophobicContact CG-CG1 4.3Å; I51-M122 HydrophobicContact CD1-CB 4.04Å; I51-K126 HydrophobicContact CB-CB 4.23Å; I51-K126 HydrophobicContact CB-CG 4.41Å; I51-K126 HydrophobicContact CG2-CB 3.62Å; I51-K126 HydrophobicContact CG2-CG 4.03Å
52G98Very high94.7Very high0 Ų039.2 Ų39.20%021%0.213CC..THydrogen-bonded Turntrans82-136.7176.800000113.9T38 P39 Y41 A54 A55 K56T38-G52 VanDerWaalsContact CG2-CA 3.48Å; P39-G52 WeakPolarHBondContact O-CA 3.45Å; Y41-G52 PolarHBondContact O-N 3.48Å; G52-A54 VanDerWaalsContact C-N 3.29Å; G52-A54 PolarHBondContact O-N 3.16Å; G52-A55 PolarHBondContact O-N 2.76Å; G52-K56 PolarHBondContact O-N 3.13Å
53D97.1Very high94.6Very high19 Ų1939.9 Ų39.910%0.10222%0.217CC..Hα-helixtrans-58.9-40.2-176.6-70.7-53.6000112N31 Q33 N35 P39 A55 K56 N57N31-D53 PolarHBondContact ND2-OD2 3.33Å; Q33-D53 HydrophobicContact CG-CB 4.49Å; Q33-D53 VanDerWaalsContact OE1-CB 3.25Å; N35-D53 PolarHBondContact ND2-OD2 2.95Å; P39-D53 WeakPolarHBondContact CD-OD1 3.36Å; P39-D53 VanDerWaalsContact CG-OD1 3.24Å; P39-D53 WeakPolarHBondContact CG-OD1 3.39Å; D53-A55 PolarHBondContact O-N 2.84Å; D53-K56 PolarHBondContact O-N 2.9Å; D53-N57 WeakPolarHBondContact O-CB 3.38Å; D53-N57 PolarHBondContact O-N 3.21Å; D53-N57 PolarHBondContact O-ND2 3.28Å; D53-N57 PolarHBondContact O-OD1 2.85Å
54A95.2Very high94.5Very high40 Ų4042.3 Ų42.333%0.33123%0.233SC..Hα-helixtrans-58.7-45176.800000112.2L50 G52 Q58L50-A54 HydrophobicContact CB-CB 4.11Å; L50-A54 HydrophobicContact CD2-CB 4.26Å; G52-A54 VanDerWaalsContact C-N 3.29Å; G52-A54 PolarHBondContact O-N 3.16Å; A54-Q58 WeakPolarHBondContact O-CG 3.35Å
55A97.6Very high94.5Very high0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-65.8-43.9176.600000111.9A43 L50 G52 D53 N57 Q58 V59A43-A55 HydrophobicContact CB-CB 3.81Å; L50-A55 HydrophobicContact CB-CB 4.14Å; L50-A55 WeakPolarHBondContact O-CB 3.36Å; G52-A55 PolarHBondContact O-N 2.76Å; D53-A55 PolarHBondContact O-N 2.84Å; A55-N57 VanDerWaalsContact C-N 3.35Å; A55-N57 PolarHBondContact O-N 3.39Å; A55-Q58 PolarHBondContact O-N 3.47Å; A55-Q58 PolarHBondContact O-NE2 3.17Å; A55-V59 PolarHBondContact O-N 3.07Å
56K96.8Very high94.8Very high37 Ų3742 Ų4216%0.16123%0.23CC..Hα-helixtrans-63-39.5178.7-174.7172.9179.2170.20112.1Y15 P39 Y41 G52 D53 Q58 V59Y15-K56 PolarHBondContact OH-NZ 2.97Å; P39-K56 HydrophobicContact CB-CB 4.07Å; P39-K56 HydrophobicContact CB-CD 3.82Å; P39-K56 HydrophobicContact CG-CB 4.12Å; P39-K56 HydrophobicContact CG-CD 3.62Å; P39-K56 HydrophobicContact CG-CG 4.49Å; Y41-K56 HydrophobicContact CD1-CB 4.05Å; Y41-K56 HydrophobicContact CD1-CG 4.34Å; Y41-K56 HydrophobicContact CE1-CB 4.5Å; Y41-K56 HydrophobicContact CE1-CG 4.29Å; Y41-K56 HydrophobicContact CG-CB 4.09Å; G52-K56 PolarHBondContact O-N 3.13Å; D53-K56 PolarHBondContact O-N 2.9Å; K56-Q58 VanDerWaalsContact C-N 3.33Å; K56-Q58 PolarHBondContact O-N 2.83Å; K56-V59 WeakPolarHBondContact O-CG1 3.43Å; K56-V59 PolarHBondContact O-N 2.84Å
57N95.1Very high95.2Very high116 Ų11636.1 Ų36.162%0.6220%0.198SC*.Hα-helixtrans-64.3-35.4-176.9-72.4-19.1000113D53 A55D53-N57 WeakPolarHBondContact O-CB 3.38Å; D53-N57 PolarHBondContact O-N 3.21Å; D53-N57 PolarHBondContact O-ND2 3.28Å; D53-N57 PolarHBondContact O-OD1 2.85Å; A55-N57 VanDerWaalsContact C-N 3.35Å; A55-N57 PolarHBondContact O-N 3.39Å
58Q94.7Very high95.8Very high33 Ų3332.4 Ų32.415%0.15418%0.175CC..Hα-helixtrans-93.6-0.5-178.163.876.970.300114.7L50 A54 A55 K56 A60 M61 N62 T66L50-Q58 HydrophobicContact CD1-CG 3.83Å; A54-Q58 WeakPolarHBondContact O-CG 3.35Å; A55-Q58 PolarHBondContact O-N 3.47Å; A55-Q58 PolarHBondContact O-NE2 3.17Å; K56-Q58 VanDerWaalsContact C-N 3.33Å; K56-Q58 PolarHBondContact O-N 2.83Å; Q58-A60 PolarHBondContact O-N 3.15Å; Q58-M61 PolarHBondContact O-N 3.23Å; Q58-N62 PolarHBondContact O-N 2.94Å; Q58-N62 VanDerWaalsContact O-N 3.07Å; Q58-N62 PolarHBondContact OE1-ND2 3.22Å; Q58-T66 PolarHBondContact NE2-OG1 2.84Å
59V95.8Very high96.1Very high4 Ų429.9 Ų29.92%0.02416%0.164CC..THydrogen-bonded Turntrans-55.6-31.2-173.571.80000113.7Y41 A55 K56 M61 N62 P63 T66 F68 R261Y41-V59 HydrophobicContact CE1-CG2 4.23Å; A55-V59 PolarHBondContact O-N 3.07Å; K56-V59 WeakPolarHBondContact O-CG1 3.43Å; K56-V59 PolarHBondContact O-N 2.84Å; V59-M61 VanDerWaalsContact C-N 3.34Å; V59-N62 CarbonylContact O-C 3.53Å; V59-P63 WeakPolarHBondContact O-CA 3.39Å; V59-P63 WeakPolarHBondContact O-CB 3.49Å; V59-P63 VanDerWaalsContact O-N 3.16Å; V59-T66 HydrophobicContact CB-CG2 3.97Å; V59-T66 HydrophobicContact CG2-CG2 3.66Å; V59-F68 HydrophobicContact CG2-CE1 4.35Å; V59-R261 HydrophobicContact CB-CG 4.47Å; V59-R261 HydrophobicContact CG1-CG 3.86Å; V59-R261 HydrophobicContact CG2-CG 4Å
60A92.6Very high96.3Very high24 Ų2429.5 Ų29.520%0.19817%0.165CC..THydrogen-bonded Turntrans-73.5-26.2178.100000112.9Q58 R258 R261 R262Q58-A60 PolarHBondContact O-N 3.15Å; A60-R258 WeakPolarHBondContact O-CD 3.35Å; A60-R258 VanDerWaalsContact O-CG 3.23Å; A60-R258 WeakPolarHBondContact O-CG 3.34Å; A60-R261 HydrophobicContact CB-CG 4.5Å; A60-R262 HydrophobicContact CB-CG 3.97Å
61M93.9Very high96.3Very high153 Ų15328.4 Ų28.475%0.75416%0.158SC*.THydrogen-bonded Turntrans-87.6-31178.3-65179.567.200111.8Q58 V59 P63Q58-M61 PolarHBondContact O-N 3.23Å; V59-M61 VanDerWaalsContact C-N 3.34Å; M61-P63 VanDerWaalsContact C-CD 3.43Å
62N96Very high96.2Very high27 Ų2727.7 Ų27.714%0.14415%0.154CC..SBendtrans-129.558.1-177.8-172.216.3000112.2F44 Q58 V59 T64 N65 T66F44-N62 PolarHBondContact O-ND2 3.33Å; Q58-N62 PolarHBondContact O-N 2.94Å; Q58-N62 VanDerWaalsContact O-N 3.07Å; Q58-N62 PolarHBondContact OE1-ND2 3.22Å; V59-N62 CarbonylContact O-C 3.53Å; N62-T64 VanDerWaalsContact C-N 3.27Å; N62-T64 PolarHBondContact O-N 2.85Å; N62-N65 PolarHBondContact O-N 3.2Å; N62-N65 VanDerWaalsContact OD1-CB 3.31Å; N62-N65 WeakPolarHBondContact OD1-CB 3.49Å; N62-N65 PolarHBondContact OD1-ND2 3.43Å; N62-T66 WeakPolarHBondContact O-CB 3.41Å; N62-T66 PolarHBondContact O-N 3.22Å; N62-T66 PolarHBondContact O-OG1 3.12Å
63P95.3Very high96Very high14 Ų1427.7 Ų27.79%0.09116%0.155CC..G310 helixtrans-66.7-27.5-170.726.6-35.6000113.3V59 M61 P91 K257V59-P63 WeakPolarHBondContact O-CA 3.39Å; V59-P63 WeakPolarHBondContact O-CB 3.49Å; V59-P63 VanDerWaalsContact O-N 3.16Å; M61-P63 VanDerWaalsContact C-CD 3.43Å; P63-P91 HydrophobicContact CB-CB 3.96Å; P63-P91 HydrophobicContact CB-CG 4.36Å; P63-P91 WeakPolarHBondContact O-CB 3.45Å; P63-P91 WeakPolarHBondContact O-CG 3.23Å; P63-K257 HydrophobicContact CB-CB 4.24Å; P63-K257 HydrophobicContact CG-CB 3.94Å
64T96.5Very high95.9Very high52 Ų5226.9 Ų26.932%0.31915%0.15SC..G310 helixtrans-79.7-26.4-176.347.70000113.9N62 F92 K257N62-T64 VanDerWaalsContact C-N 3.27Å; N62-T64 PolarHBondContact O-N 2.85Å; T64-F92 VanDerWaalsContact O-CB 3.31Å; T64-F92 WeakPolarHBondContact O-CB 3.23Å; T64-K257 HydrophobicContact CG2-CD 3.61Å
65N97.8Very high95.7Very high24 Ų2426 Ų2613%0.12815%0.145CC..G310 helixtrans-109.717.2-179.7-48.6-56.3000112.1A43 F44 N62 V105 E106A43-N65 CarbonylContact C-O 3.51Å; A43-N65 WeakPolarHBondContact CA-O 3.29Å; F44-N65 HydrophobicContact CB-CB 4.42Å; F44-N65 PolarHBondContact N-O 2.87Å; F44-N65 WeakPolarHBondContact O-CB 3.32Å; N62-N65 PolarHBondContact O-N 3.2Å; N62-N65 VanDerWaalsContact OD1-CB 3.31Å; N62-N65 WeakPolarHBondContact OD1-CB 3.49Å; N62-N65 PolarHBondContact OD1-ND2 3.43Å; N65-V105 HydrophobicContact CB-CB 4.34Å; N65-E106 PolarHBondContact OD1-N 3.47Å
66T98.3Very high95.4Very high0 Ų027.6 Ų27.60%015%0.151CC..EExtended strand (participates in β ladder)trans-113.3109.7173.9-530000109.5Y41 V42 A43 Q58 V59 N62 F92Y41-T66 HydrophobicContact CD1-CG2 3.92Å; V42-T66 CarbonylContact O-C 3.58Å; V42-T66 WeakPolarHBondContact O-CA 3.3Å; A43-T66 HydrophobicContact CB-CG2 4.02Å; Q58-T66 PolarHBondContact NE2-OG1 2.84Å; V59-T66 HydrophobicContact CB-CG2 3.97Å; V59-T66 HydrophobicContact CG2-CG2 3.66Å; N62-T66 WeakPolarHBondContact O-CB 3.41Å; N62-T66 PolarHBondContact O-N 3.22Å; N62-T66 PolarHBondContact O-OG1 3.12Å; T66-F92 VanDerWaalsContact O-CD1 3.29Å; T66-F92 WeakPolarHBondContact O-CD1 3.46Å
67V98.3Very high95.2Very high2 Ų231.8 Ų31.81%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-94.2134.2-178-167.40000109.6Y41 V42 F44 F92 V103 V105 V119Y41-V67 WeakPolarHBondContact CA-O 3.32Å; V42-V67 PolarHBondContact N-O 3.4Å; V42-V67 PolarHBondContact O-N 3.43Å; F44-V67 HydrophobicContact CD2-CG2 4.49Å; F44-V67 HydrophobicContact CE2-CG2 4.03Å; V67-F92 HydrophobicContact CG1-CE1 4.35Å; V67-F92 HydrophobicContact CG1-CE2 4.34Å; V67-F92 HydrophobicContact CG1-CZ 4.19Å; V67-V103 HydrophobicContact CB-CG1 4.41Å; V67-V103 HydrophobicContact CG1-CB 4.45Å; V67-V103 HydrophobicContact CG1-CG1 3.95Å; V67-V103 HydrophobicContact CG1-CG2 4.1Å; V67-V103 HydrophobicContact CG2-CG1 3.54Å; V67-V105 HydrophobicContact CG2-CG1 3.86Å; V67-V119 HydrophobicContact CB-CG1 4.19Å; V67-V119 HydrophobicContact CG1-CG1 3.84Å; V67-V119 HydrophobicContact CG1-CG2 4.34Å
68F97.1Very high95.2Very high3 Ų328 Ų281%0.01314%0.144CC..  trans-148171.1175.655.1-88000108.4Y41 V59 A70 P91 F92Y41-F68 HydrophobicContact CD1-CB 3.83Å; Y41-F68 HydrophobicContact CD1-CD1 4.21Å; Y41-F68 HydrophobicContact CD1-CG 4.31Å; Y41-F68 HydrophobicContact CD2-CB 3.83Å; Y41-F68 HydrophobicContact CE1-CB 3.65Å; Y41-F68 AromaticContact CE1-CD1 3.7Å; Y41-F68 HydrophobicContact CE1-CD1 3.7Å; Y41-F68 AromaticContact CE1-CG 3.73Å; Y41-F68 HydrophobicContact CE1-CG 3.73Å; Y41-F68 HydrophobicContact CE2-CB 3.61Å; Y41-F68 HydrophobicContact CE2-CG 4.29Å; Y41-F68 HydrophobicContact CG-CB 3.91Å; Y41-F68 AromaticContact CZ-CG 3.7Å; V59-F68 HydrophobicContact CG2-CE1 4.35Å; F68-A70 PolarHBondContact O-N 3.02Å; F68-A70 VanDerWaalsContact O-N 3.1Å; F68-P91 HydrophobicContact CE1-CG 3.83Å; F68-P91 HydrophobicContact CZ-CG 3.99Å; F68-F92 HydrophobicContact CD1-CD1 4.48Å; F68-F92 HydrophobicContact CD1-CE1 4.01Å; F68-F92 HydrophobicContact CE1-CD1 4.26Å; F68-F92 AromaticContact CE1-CE1 3.96Å; F68-F92 HydrophobicContact CE1-CE1 3.96Å; F68-F92 HydrophobicContact CG-CE1 4.34Å; F68-F92 HydrophobicContact CZ-CE1 4.24Å; F68-F92 WeakPolarHBondContact O-CZ 3.31Å
69D95.9Very high95.1Very high5 Ų530.8 Ų30.83%0.02716%0.159CC..  trans56.123.4-175.5-54-25.2000114.3T13 K71 R72 W90T13-D69 HydrophobicContact CG2-CB 4.24Å; D69-K71 PolarHBondContact O-N 3.34Å; D69-R72 WeakPolarHBondContact O-CB 3.43Å; D69-R72 PolarHBondContact O-N 3.18Å; D69-W90 HydrophobicContact CB-CZ2 4.44Å
70A96.3Very high94.8Very high11 Ų1132.8 Ų32.89%0.09117%0.17CC..Hα-helixtrans-55.5-29.1-179.900000112.5F68 R72 L73 I74 V119F68-A70 PolarHBondContact O-N 3.02Å; F68-A70 VanDerWaalsContact O-N 3.1Å; A70-R72 PolarHBondContact O-N 3.37Å; A70-L73 PolarHBondContact O-N 3.34Å; A70-I74 PolarHBondContact O-N 3.22Å; A70-V119 HydrophobicContact CB-CB 4.13Å; A70-V119 HydrophobicContact CB-CG1 3.76Å
71K96.3Very high94.8Very high12 Ų1235.6 Ų35.65%0.05219%0.193CC..Hα-helixtrans-61.7-23.6174.1-164.9172.4-173.6-178.30113.8L11 D69 I74 F150 E175L11-K71 WeakPolarHBondContact O-CD 3.26Å; L11-K71 WeakPolarHBondContact O-CE 3.34Å; L11-K71 PolarHBondContact O-NZ 2.96Å; D69-K71 PolarHBondContact O-N 3.34Å; K71-I74 WeakPolarHBondContact O-CG2 3.3Å; K71-F150 HydrophobicContact CG-CZ 3.95Å; K71-E175 IonicContact NZ-OE1 2.74Å; K71-E175 PolarHBondContact NZ-OE1 3.21Å
72R95.1Very high94.7Very high5 Ų530.6 Ų30.62%0.01917%0.171CC..Hα-helixtrans-76.9-24.8172-73.3-164.7166-173-4.8112.9T13 D69 A70 R76 D86 W90 G203 H227 D232T13-R72 HydrophobicContact CG2-CG 4.2Å; D69-R72 WeakPolarHBondContact O-CB 3.43Å; D69-R72 PolarHBondContact O-N 3.18Å; A70-R72 PolarHBondContact O-N 3.37Å; R72-R76 WeakPolarHBondContact O-CD 3.32Å; R72-R76 PolarHBondContact O-NE 3.46Å; R72-D86 VanDerWaalsContact CD-OD2 3.25Å; R72-D86 WeakPolarHBondContact CD-OD2 3.35Å; R72-D86 IonicContact NH1-OD1 3.27Å; R72-D86 IonicContact NH1-OD2 2.76Å; R72-W90 HydrophobicContact CB-CZ2 4.28Å; R72-G203 PolarHBondContact NE-O 3.23Å; R72-G203 VanDerWaalsContact NH2-CA 3.31Å; R72-G203 PolarHBondContact NH2-O 3.48Å; R72-H227 PolarHBondContact O-CE1 2.95Å; R72-D232 IonicContact CZ-OD1 2.79Å; R72-D232 IonicContact CZ-OD2 2.75Å; R72-D232 IonicContact NH1-OD1 3.35Å; R72-D232 PolarHBondContact NH1-OD1 2.81Å; R72-D232 IonicContact NH1-OD2 3.19Å; R72-D232 IonicContact NH2-OD1 2.76Å; R72-D232 PolarHBondContact NH2-OD1 2.89Å; R72-D232 IonicContact NH2-OD2 2.86Å; R72-D232 PolarHBondContact NH2-OD2 3.06Å
73L94.8Very high94.6Very high1 Ų129.3 Ų29.31%0.00517%0.165CC..Hα-helixtrans-90.1-27.8175.9-70.582.2000113.6A70 G75 R76 W90 V94 P101 V103 P116A70-L73 PolarHBondContact O-N 3.34Å; L73-G75 PolarHBondContact O-N 2.79Å; L73-R76 WeakPolarHBondContact O-CB 3.47Å; L73-R76 PolarHBondContact O-N 3.38Å; L73-R76 VanDerWaalsContact O-N 3.15Å; L73-W90 HydrophobicContact CD1-CE3 4.23Å; L73-W90 HydrophobicContact CD1-CH2 3.03Å; L73-W90 HydrophobicContact CD1-CZ2 3.36Å; L73-W90 HydrophobicContact CD1-CZ3 3.5Å; L73-W90 HydrophobicContact CD2-CH2 4.38Å; L73-W90 HydrophobicContact CD2-CZ3 4.09Å; L73-W90 HydrophobicContact CG-CH2 3.61Å; L73-W90 HydrophobicContact CG-CZ2 4.4Å; L73-W90 HydrophobicContact CG-CZ3 3.81Å; L73-V94 HydrophobicContact CD2-CG1 4.01Å; L73-V94 HydrophobicContact CD2-CG2 4Å; L73-P101 HydrophobicContact CD2-CB 4.23Å; L73-V103 HydrophobicContact CD2-CG2 4.12Å; L73-P116 HydrophobicContact CB-CB 4.05Å; L73-P116 HydrophobicContact CB-CG 3.61Å; L73-P116 HydrophobicContact CD2-CG 4.37Å
74I94.6Very high94.6Very high1 Ų132.2 Ų32.21%0.00518%0.177CC..THydrogen-bonded Turntrans-56.5133.1-170.9-158.1171.2000111.3A70 K71 R76 P116 E117 F150 Q154 A157A70-I74 PolarHBondContact O-N 3.22Å; K71-I74 WeakPolarHBondContact O-CG2 3.3Å; I74-R76 PolarHBondContact O-N 2.88Å; I74-P116 HydrophobicContact CB-CB 4.08Å; I74-P116 HydrophobicContact CG1-CB 4.26Å; I74-E117 HydrophobicContact CD1-CG 4.46Å; I74-E117 HydrophobicContact CG1-CG 4.24Å; I74-F150 HydrophobicContact CG2-CE2 4.13Å; I74-F150 HydrophobicContact CG2-CZ 4.15Å; I74-Q154 WeakPolarHBondContact O-CG 3.36Å; I74-A157 HydrophobicContact CD1-CB 4.25Å; I74-A157 HydrophobicContact CG1-CB 3.67Å
75G91.2Very high94.5Very high21 Ų2132.2 Ų32.222%0.21618%0.179CC..THydrogen-bonded Turntrans66.411.5179.400000116.5L73 S153L73-G75 PolarHBondContact O-N 2.79Å; G75-S153 WeakPolarHBondContact O-CB 3.49Å
76R92Very high94.3Very high34 Ų3431.6 Ų31.613%0.12818%0.176CC..  trans-100.6164.4178.5-62.8-165.7-174.1-86.6-2.3113.2R72 L73 I74 D80 V83 P101 T226 H227R72-R76 WeakPolarHBondContact O-CD 3.32Å; R72-R76 PolarHBondContact O-NE 3.46Å; L73-R76 WeakPolarHBondContact O-CB 3.47Å; L73-R76 PolarHBondContact O-N 3.38Å; L73-R76 VanDerWaalsContact O-N 3.15Å; I74-R76 PolarHBondContact O-N 2.88Å; R76-D80 WeakPolarHBondContact CB-OD2 3.45Å; R76-V83 HydrophobicContact CB-CG2 3.76Å; R76-V83 HydrophobicContact CG-CG2 4.36Å; R76-P101 WeakPolarHBondContact O-CD 3.32Å; R76-T226 PolarHBondContact NH2-OG1 3Å; R76-H227 PolarHBondContact NE-CE1 2.81Å; R76-H227 PolarHBondContact NH2-CE1 3.35Å; R76-H227 PolarHBondContact NH2-ND1 3.21Å
77R91.3Very high94.1Very high126 Ų12634.1 Ų34.148%0.47519%0.188SC..  trans-92.6149.8171.2-54.1-176.868.6-115.4-7.6110.1D79 D80 G99R77-D79 WeakPolarHBondContact CB-OD1 3.4Å; R77-D79 IonicContact CZ-OD1 3.23Å; R77-D79 VanDerWaalsContact CZ-OD1 3.24Å; R77-D79 IonicContact CZ-OD2 3.24Å; R77-D79 IonicContact NE-OD1 2.75Å; R77-D79 IonicContact NH1-OD1 2.99Å; R77-D79 PolarHBondContact NH1-OD1 3.14Å; R77-D79 IonicContact NH1-OD2 3.61Å; R77-D79 PolarHBondContact NH1-OD2 3.09Å; R77-D79 IonicContact NH2-OD1 2.72Å; R77-D79 IonicContact NH2-OD2 3.63Å; R77-D79 PolarHBondContact O-N 3.13Å; R77-D80 PolarHBondContact N-OD2 3.21Å; R77-D80 WeakPolarHBondContact O-CB 3.48Å; R77-D80 PolarHBondContact O-N 3.17Å; R77-G99 WeakPolarHBondContact CA-O 3.43Å
78F94.7Very high93.8Very high37 Ų3741.9 Ų41.916%0.16222%0.222CC..THydrogen-bonded Turntrans-59.7-37.6-178.5179.3-91000111.7D80 Q84 M87 V94 N96 G99 P101F78-D80 VanDerWaalsContact C-N 3.32Å; F78-D80 PolarHBondContact O-N 2.84Å; F78-Q84 PolarHBondContact O-NE2 3.46Å; F78-M87 HydrophobicContact CE2-CE 3.93Å; F78-M87 HydrophobicContact CE2-SD 3.93Å; F78-M87 HydrophobicContact CZ-CE 3.96Å; F78-M87 HydrophobicContact CZ-SD 4.21Å; F78-V94 HydrophobicContact CD2-CG1 4.28Å; F78-V94 HydrophobicContact CE2-CG1 4.19Å; F78-N96 HydrophobicContact CB-CB 4.26Å; F78-N96 HydrophobicContact CD1-CB 3.66Å; F78-N96 HydrophobicContact CD2-CB 3.79Å; F78-N96 HydrophobicContact CE1-CB 3.87Å; F78-N96 HydrophobicContact CE2-CB 3.99Å; F78-N96 HydrophobicContact CG-CB 3.61Å; F78-N96 HydrophobicContact CZ-CB 4.03Å; F78-G99 PolarHBondContact N-O 3.26Å; F78-P101 HydrophobicContact CD2-CB 4.19Å
79D93.1Very high93.5Very high90 Ų9044.6 Ų44.648%0.48123%0.234SC..THydrogen-bonded Turntrans-82.2-1.8-178.156.3-29.2000114.3R77 A81R77-D79 WeakPolarHBondContact CB-OD1 3.4Å; R77-D79 IonicContact CZ-OD1 3.23Å; R77-D79 VanDerWaalsContact CZ-OD1 3.24Å; R77-D79 IonicContact CZ-OD2 3.24Å; R77-D79 IonicContact NE-OD1 2.75Å; R77-D79 IonicContact NH1-OD1 2.99Å; R77-D79 PolarHBondContact NH1-OD1 3.14Å; R77-D79 IonicContact NH1-OD2 3.61Å; R77-D79 PolarHBondContact NH1-OD2 3.09Å; R77-D79 IonicContact NH2-OD1 2.72Å; R77-D79 IonicContact NH2-OD2 3.63Å; R77-D79 PolarHBondContact O-N 3.13Å; D79-A81 PolarHBondContact O-N 3.44Å
80D90.9Very high93.4Very high47 Ų4745.4 Ų45.425%0.25124%0.237SC..  trans-59.6133.3175.7-72.2-16.5000110.4R76 R77 F78 V82 V83 Q84R76-D80 WeakPolarHBondContact CB-OD2 3.45Å; R77-D80 PolarHBondContact N-OD2 3.21Å; R77-D80 WeakPolarHBondContact O-CB 3.48Å; R77-D80 PolarHBondContact O-N 3.17Å; F78-D80 VanDerWaalsContact C-N 3.32Å; F78-D80 PolarHBondContact O-N 2.84Å; D80-V82 HydrophobicContact CB-CG2 4.2Å; D80-V82 PolarHBondContact O-N 2.97Å; D80-V82 VanDerWaalsContact O-N 3.11Å; D80-V83 HydrophobicContact CB-CB 4.33Å; D80-V83 HydrophobicContact CB-CG2 4.02Å; D80-V83 PolarHBondContact O-N 2.83Å; D80-Q84 PolarHBondContact O-N 3.39Å
81A92.1Very high93.4Very high83 Ų8345.6 Ų45.669%0.68624%0.237SC*.Hα-helixtrans-56.9-34-176.100000112.9D79 S85D79-A81 PolarHBondContact O-N 3.44Å; A81-S85 WeakPolarHBondContact O-CB 3.44Å; A81-S85 PolarHBondContact O-N 3.12Å
82V90.9Very high93.4Very high48 Ų4845.5 Ų45.529%0.29124%0.237SC..Hα-helixtrans-68.8-41.4176.8-64.10000112.2D80 S85 D86D80-V82 HydrophobicContact CB-CG2 4.2Å; D80-V82 PolarHBondContact O-N 2.97Å; D80-V82 VanDerWaalsContact O-N 3.11Å; V82-S85 WeakPolarHBondContact O-CB 3.3Å; V82-S85 PolarHBondContact O-N 3.21Å; V82-D86 PolarHBondContact O-N 3.37Å
83V94.6Very high93.5Very high0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-64-44.9175.4175.20000110.2R76 D80 S85 D86 M87R76-V83 HydrophobicContact CB-CG2 3.76Å; R76-V83 HydrophobicContact CG-CG2 4.36Å; D80-V83 HydrophobicContact CB-CB 4.33Å; D80-V83 HydrophobicContact CB-CG2 4.02Å; D80-V83 PolarHBondContact O-N 2.83Å; V83-S85 PolarHBondContact O-N 3.36Å; V83-D86 PolarHBondContact O-N 3.29Å; V83-M87 HydrophobicContact CG1-CG 4.32Å; V83-M87 HydrophobicContact CG1-SD 4.03Å; V83-M87 WeakPolarHBondContact O-CB 3.42Å; V83-M87 VanDerWaalsContact O-CG 3.23Å; V83-M87 WeakPolarHBondContact O-CG 3.32Å; V83-M87 PolarHBondContact O-N 3.39Å
84Q96Very high93.6Very high74 Ų7450.9 Ų50.935%0.34626%0.264SS..Hα-helixtrans-63-30.1176.5-67-61.2-54.500113F78 D80 K88F78-Q84 PolarHBondContact O-NE2 3.46Å; D80-Q84 PolarHBondContact O-N 3.39Å; Q84-K88 WeakPolarHBondContact O-CE 3.43Å
85S93.3Very high93.8Very high53 Ų5352.6 Ų52.637%0.37128%0.275SS..Hα-helixtrans-72.1-50.4174-1710000111.1A81 V82 V83 M87 K88A81-S85 WeakPolarHBondContact O-CB 3.44Å; A81-S85 PolarHBondContact O-N 3.12Å; V82-S85 WeakPolarHBondContact O-CB 3.3Å; V82-S85 PolarHBondContact O-N 3.21Å; V83-S85 PolarHBondContact O-N 3.36Å; S85-M87 PolarHBondContact O-N 3.08Å; S85-K88 WeakPolarHBondContact O-CB 3.29Å; S85-K88 PolarHBondContact O-N 2.9Å
86D92.9Very high94Very high11 Ų1156 Ų566%0.05929%0.288CS..Hα-helixtrans-67.4-33.5-175.9-76.6-1000113.2R72 V82 V83 K88 H89 W90 H227R72-D86 VanDerWaalsContact CD-OD2 3.25Å; R72-D86 WeakPolarHBondContact CD-OD2 3.35Å; R72-D86 IonicContact NH1-OD1 3.27Å; R72-D86 IonicContact NH1-OD2 2.76Å; V82-D86 PolarHBondContact O-N 3.37Å; V83-D86 PolarHBondContact O-N 3.29Å; D86-K88 PolarHBondContact O-N 2.95Å; D86-H89 WeakPolarHBondContact O-CA 3.33Å; D86-H89 WeakPolarHBondContact O-CB 3.26Å; D86-H89 PolarHBondContact O-N 2.84Å; D86-W90 HydrophobicContact CB-CD2 4.39Å; D86-W90 HydrophobicContact CB-CE3 4.33Å; D86-W90 HydrophobicContact CB-CH2 3.23Å; D86-W90 HydrophobicContact CB-CZ2 3.38Å; D86-W90 HydrophobicContact CB-CZ3 3.78Å; D86-W90 PolarHBondContact O-N 2.92Å; D86-H227 IonicContact OD1-CD2 3.69Å; D86-H227 IonicContact OD2-CD2 3.69Å; D86-H227 PolarHBondContact OD2-CD2 2.67Å; D86-H227 IonicContact OD2-NE2 3.33Å; D86-H227 PolarHBondContact OD2-NE2 3.46Å; D86-H227 VanDerWaalsContact OD2-NE2 3.08Å
87M95Very high94.1Very high52 Ų5257.1 Ų57.126%0.25630%0.296SS..THydrogen-bonded Turntrans-55.3-22.8174.2-78.4176.962.600113.6F78 V83 S85 H89 W90 V94F78-M87 HydrophobicContact CE2-CE 3.93Å; F78-M87 HydrophobicContact CE2-SD 3.93Å; F78-M87 HydrophobicContact CZ-CE 3.96Å; F78-M87 HydrophobicContact CZ-SD 4.21Å; V83-M87 HydrophobicContact CG1-CG 4.32Å; V83-M87 HydrophobicContact CG1-SD 4.03Å; V83-M87 WeakPolarHBondContact O-CB 3.42Å; V83-M87 VanDerWaalsContact O-CG 3.23Å; V83-M87 WeakPolarHBondContact O-CG 3.32Å; V83-M87 PolarHBondContact O-N 3.39Å; S85-M87 PolarHBondContact O-N 3.08Å; M87-H89 PolarHBondContact O-N 3.34Å; M87-W90 HydrophobicContact CB-CE3 4.38Å; M87-W90 HydrophobicContact CG-CE3 3.92Å; M87-W90 HydrophobicContact CG-CZ3 3.82Å; M87-V94 HydrophobicContact CE-CB 3.95Å; M87-V94 WeakPolarHBondContact CE-O 3.48Å; M87-V94 HydrophobicContact CG-CB 4.06Å; M87-V94 HydrophobicContact CG-CG2 4.17Å; M87-V94 HydrophobicContact SD-CB 4Å; M87-V94 HydrophobicContact SD-CG1 4.2Å
88K91.9Very high94Very high165 Ų16556 Ų5672%0.71731%0.314SS*.THydrogen-bonded Turntrans-73.9-16.8175.8-59.2171.1-174.31690112.9Q84 S85 D86Q84-K88 WeakPolarHBondContact O-CE 3.43Å; S85-K88 WeakPolarHBondContact O-CB 3.29Å; S85-K88 PolarHBondContact O-N 2.9Å; D86-K88 PolarHBondContact O-N 2.95Å
89H90.4Very high93.7Very high61 Ų6155 Ų5528%0.28231%0.314SS..THydrogen-bonded Turntrans-107.3-15.7-176.1-60-53.8000113D86 M87D86-H89 WeakPolarHBondContact O-CA 3.33Å; D86-H89 WeakPolarHBondContact O-CB 3.26Å; D86-H89 PolarHBondContact O-N 2.84Å; M87-H89 PolarHBondContact O-N 3.34Å
90W94.9Very high93.6Very high22 Ų2251.6 Ų51.68%0.08330%0.295CS..  trans-84.3137.1178.5-64.8-39.1000112.9D69 R72 L73 D86 M87 F92 V94D69-W90 HydrophobicContact CB-CZ2 4.44Å; R72-W90 HydrophobicContact CB-CZ2 4.28Å; L73-W90 HydrophobicContact CD1-CE3 4.23Å; L73-W90 HydrophobicContact CD1-CH2 3.03Å; L73-W90 HydrophobicContact CD1-CZ2 3.36Å; L73-W90 HydrophobicContact CD1-CZ3 3.5Å; L73-W90 HydrophobicContact CD2-CH2 4.38Å; L73-W90 HydrophobicContact CD2-CZ3 4.09Å; L73-W90 HydrophobicContact CG-CH2 3.61Å; L73-W90 HydrophobicContact CG-CZ2 4.4Å; L73-W90 HydrophobicContact CG-CZ3 3.81Å; D86-W90 HydrophobicContact CB-CD2 4.39Å; D86-W90 HydrophobicContact CB-CE3 4.33Å; D86-W90 HydrophobicContact CB-CH2 3.23Å; D86-W90 HydrophobicContact CB-CZ2 3.38Å; D86-W90 HydrophobicContact CB-CZ3 3.78Å; D86-W90 PolarHBondContact O-N 2.92Å; M87-W90 HydrophobicContact CB-CE3 4.38Å; M87-W90 HydrophobicContact CG-CE3 3.92Å; M87-W90 HydrophobicContact CG-CZ3 3.82Å; W90-F92 HydrophobicContact CB-CD1 4.22Å; W90-F92 HydrophobicContact CB-CD2 4.16Å; W90-F92 HydrophobicContact CB-CE1 3.88Å; W90-F92 HydrophobicContact CB-CE2 3.82Å; W90-F92 HydrophobicContact CB-CG 4.36Å; W90-F92 HydrophobicContact CB-CZ 3.68Å; W90-F92 AromaticContact CD1-CE1 3.86Å; W90-F92 AromaticContact CD1-CZ 3.57Å; W90-F92 AromaticContact CD2-CE2 3.85Å; W90-F92 HydrophobicContact CD2-CE2 3.85Å; W90-F92 AromaticContact CD2-CZ 3.67Å; W90-F92 HydrophobicContact CD2-CZ 3.67Å; W90-F92 AromaticContact CE3-CE2 4Å; W90-F92 HydrophobicContact CE3-CE2 4Å; W90-F92 HydrophobicContact CE3-CZ 4.28Å; W90-F92 AromaticContact CG-CE1 3.85Å; W90-F92 HydrophobicContact CG-CE1 3.85Å; W90-F92 AromaticContact CG-CE2 3.77Å; W90-F92 HydrophobicContact CG-CE2 3.77Å; W90-F92 AromaticContact CG-CZ 3.35Å; W90-F92 HydrophobicContact CG-CZ 3.35Å; W90-V94 HydrophobicContact CE3-CG2 3.94Å; W90-V94 HydrophobicContact CZ3-CG2 4.26Å
91P95.2Very high93.9Very high15 Ų1549.5 Ų49.510%0.09728%0.283CS..SBendtrans-80.3-23.6175.931-34.4000113.4P63 F68 K257P63-P91 HydrophobicContact CB-CB 3.96Å; P63-P91 HydrophobicContact CB-CG 4.36Å; P63-P91 WeakPolarHBondContact O-CB 3.45Å; P63-P91 WeakPolarHBondContact O-CG 3.23Å; F68-P91 HydrophobicContact CE1-CG 3.83Å; F68-P91 HydrophobicContact CZ-CG 3.99Å; P91-K257 HydrophobicContact CB-CB 4.43Å; P91-K257 HydrophobicContact CB-CD 4.26Å; P91-K257 HydrophobicContact CB-CG 4.49Å; P91-K257 WeakPolarHBondContact O-CD 3.21Å; P91-K257 WeakPolarHBondContact O-CE 3.16Å; P91-K257 PolarHBondContact O-NZ 3.04Å
92F96.8Very high94.1Very high10 Ų1047.4 Ų47.44%0.04426%0.259CS..SBendtrans-83158.3176.452.7-97.3000111.3T64 T66 V67 F68 W90 V94 V103T64-F92 VanDerWaalsContact O-CB 3.31Å; T64-F92 WeakPolarHBondContact O-CB 3.23Å; T66-F92 VanDerWaalsContact O-CD1 3.29Å; T66-F92 WeakPolarHBondContact O-CD1 3.46Å; V67-F92 HydrophobicContact CG1-CE1 4.35Å; V67-F92 HydrophobicContact CG1-CE2 4.34Å; V67-F92 HydrophobicContact CG1-CZ 4.19Å; F68-F92 HydrophobicContact CD1-CD1 4.48Å; F68-F92 HydrophobicContact CD1-CE1 4.01Å; F68-F92 HydrophobicContact CE1-CD1 4.26Å; F68-F92 AromaticContact CE1-CE1 3.96Å; F68-F92 HydrophobicContact CE1-CE1 3.96Å; F68-F92 HydrophobicContact CG-CE1 4.34Å; F68-F92 HydrophobicContact CZ-CE1 4.24Å; F68-F92 WeakPolarHBondContact O-CZ 3.31Å; W90-F92 HydrophobicContact CB-CD1 4.22Å; W90-F92 HydrophobicContact CB-CD2 4.16Å; W90-F92 HydrophobicContact CB-CE1 3.88Å; W90-F92 HydrophobicContact CB-CE2 3.82Å; W90-F92 HydrophobicContact CB-CG 4.36Å; W90-F92 HydrophobicContact CB-CZ 3.68Å; W90-F92 AromaticContact CD1-CE1 3.86Å; W90-F92 AromaticContact CD1-CZ 3.57Å; W90-F92 AromaticContact CD2-CE2 3.85Å; W90-F92 HydrophobicContact CD2-CE2 3.85Å; W90-F92 AromaticContact CD2-CZ 3.67Å; W90-F92 HydrophobicContact CD2-CZ 3.67Å; W90-F92 AromaticContact CE3-CE2 4Å; W90-F92 HydrophobicContact CE3-CE2 4Å; W90-F92 HydrophobicContact CE3-CZ 4.28Å; W90-F92 AromaticContact CG-CE1 3.85Å; W90-F92 HydrophobicContact CG-CE1 3.85Å; W90-F92 AromaticContact CG-CE2 3.77Å; W90-F92 HydrophobicContact CG-CE2 3.77Å; W90-F92 AromaticContact CG-CZ 3.35Å; W90-F92 HydrophobicContact CG-CZ 3.35Å; F92-V94 HydrophobicContact CD2-CG2 4.08Å; F92-V94 HydrophobicContact CE2-CG2 3.98Å; F92-V103 HydrophobicContact CB-CG1 4.35Å; F92-V103 HydrophobicContact CD2-CG1 3.66Å; F92-V103 HydrophobicContact CD2-CG2 4.43Å; F92-V103 HydrophobicContact CE2-CG1 4.27Å; F92-V103 HydrophobicContact CE2-CG2 4.28Å; F92-V103 HydrophobicContact CG-CG1 4.21Å
93M96.8Very high94.4Very high108 Ų10845.2 Ų45.253%0.53225%0.245SC..EExtended strand (participates in β ladder)trans-87.7138.1-178.6-172.1176.7-65.200110.7V95 V103 Q104M93-V95 HydrophobicContact CG-CG1 3.98Å; M93-V95 HydrophobicContact SD-CG1 3.92Å; M93-V103 WeakPolarHBondContact O-CA 3.38Å; M93-Q104 HydrophobicContact CB-CB 4.32Å; M93-Q104 PolarHBondContact O-N 3.36Å; M93-Q104 PolarHBondContact SD-OE1 3.2Å; M93-Q104 VanDerWaalsContact SD-OE1 3.38Å
94V97.9Very high94.6Very high11 Ų1148 Ų487%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-116.4125.7169.8-175.30000108.1L73 F78 M87 W90 F92 P101 K102L73-V94 HydrophobicContact CD2-CG1 4.01Å; L73-V94 HydrophobicContact CD2-CG2 4Å; F78-V94 HydrophobicContact CD2-CG1 4.28Å; F78-V94 HydrophobicContact CE2-CG1 4.19Å; M87-V94 HydrophobicContact CE-CB 3.95Å; M87-V94 WeakPolarHBondContact CE-O 3.48Å; M87-V94 HydrophobicContact CG-CB 4.06Å; M87-V94 HydrophobicContact CG-CG2 4.17Å; M87-V94 HydrophobicContact SD-CB 4Å; M87-V94 HydrophobicContact SD-CG1 4.2Å; W90-V94 HydrophobicContact CE3-CG2 3.94Å; W90-V94 HydrophobicContact CZ3-CG2 4.26Å; F92-V94 HydrophobicContact CD2-CG2 4.08Å; F92-V94 HydrophobicContact CE2-CG2 3.98Å; V94-P101 HydrophobicContact CG1-CB 3.62Å; V94-K102 CarbonylContact C-O 3.54Å; V94-K102 VanDerWaalsContact CA-O 3.26Å; V94-K102 WeakPolarHBondContact CA-O 3.4Å
95V97.4Very high94.7Very high37 Ų3744.6 Ų44.622%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-114.2154.5-178.5-59.70000110.7M93 K102 Q104M93-V95 HydrophobicContact CG-CG1 3.98Å; M93-V95 HydrophobicContact SD-CG1 3.92Å; V95-K102 HydrophobicContact CG2-CB 3.89Å; V95-K102 PolarHBondContact N-O 3.39Å; V95-K102 PolarHBondContact O-N 2.77Å; V95-Q104 HydrophobicContact CG1-CB 4.18Å; V95-Q104 HydrophobicContact CG2-CB 4.45Å
96N96.3Very high94.8Very high91 Ų9145.7 Ų45.749%0.48724%0.242SC..EExtended strand (participates in β ladder)trans-90123.1178.5-173.50.3000110.3F78 G99F78-N96 HydrophobicContact CB-CB 4.26Å; F78-N96 HydrophobicContact CD1-CB 3.66Å; F78-N96 HydrophobicContact CD2-CB 3.79Å; F78-N96 HydrophobicContact CE1-CB 3.87Å; F78-N96 HydrophobicContact CE2-CB 3.99Å; F78-N96 HydrophobicContact CG-CB 3.61Å; F78-N96 HydrophobicContact CZ-CB 4.03Å; N96-G99 WeakPolarHBondContact OD1-CA 3.17Å; N96-G99 PolarHBondContact OD1-N 2.99Å
97D93.8Very high94.9Very high58 Ų5845.3 Ų45.331%0.3124%0.24SC..EExtended strand (participates in β ladder)trans-119.7102.7170.4-171.722.5000109.5G99 R100 K102 Y115D97-G99 PolarHBondContact O-N 3.25Å; D97-G99 VanDerWaalsContact O-N 3.08Å; D97-R100 PolarHBondContact N-O 3.1Å; D97-R100 WeakPolarHBondContact O-CB 3.26Å; D97-R100 PolarHBondContact O-N 2.85Å; D97-K102 HydrophobicContact CB-CD 3.89Å; D97-K102 HydrophobicContact CB-CG 4.16Å; D97-K102 WeakPolarHBondContact OD2-CE 3.37Å; D97-K102 IonicContact OD2-NZ 2.91Å; D97-K102 PolarHBondContact OD2-NZ 3.39Å; D97-Y115 PolarHBondContact OD2-OH 2.8Å
98A89.2Confident94.6Very high103 Ų10346.9 Ų46.985%0.85125%0.245SC*.THydrogen-bonded Turntrans50.434.8-17900000115
99G89.3Confident94.4Very high15 Ų1542 Ų4216%0.15524%0.242CC..THydrogen-bonded Turntrans93.1-4.2-178.700000114.5R77 F78 N96 D97R77-G99 WeakPolarHBondContact CA-O 3.43Å; F78-G99 PolarHBondContact N-O 3.26Å; N96-G99 WeakPolarHBondContact OD1-CA 3.17Å; N96-G99 PolarHBondContact OD1-N 2.99Å; D97-G99 PolarHBondContact O-N 3.25Å; D97-G99 VanDerWaalsContact O-N 3.08Å
100R91Very high94.6Very high20 Ų2045 Ų458%0.07526%0.256CS..EExtended strand (participates in β ladder)trans-102.2144.3176.1-62.2178.771.8-162.4-1110.7D97 Y115 E117 G508 L510D97-R100 PolarHBondContact N-O 3.1Å; D97-R100 WeakPolarHBondContact O-CB 3.26Å; D97-R100 PolarHBondContact O-N 2.85Å; R100-Y115 HydrophobicContact CB-CE1 3.93Å; R100-Y115 VanDerWaalsContact NH1-CE1 3.3Å; R100-E117 IonicContact CZ-OE1 2.75Å; R100-E117 IonicContact NH2-OE1 3.3Å; R100-E117 PolarHBondContact NH2-OE1 2.99Å; R100-E117 IonicContact NH2-OE2 2.69Å; R100-E117 PolarHBondContact NH2-OE2 3.19Å; R100-G508 VanDerWaalsContact CD-O 3.22Å; R100-G508 WeakPolarHBondContact CD-O 3.2Å; R100-G508 PolarHBondContact NE-O 3.05Å; R100-L510 VanDerWaalsContact NH1-CD2 3.29Å
101P95.9Very high94.6Very high3 Ų347.8 Ų47.82%0.01928%0.276CS..EExtended strand (participates in β ladder)trans-77.8135.9174.631.8-32.3000111.1L73 R76 F78 V94 P116L73-P101 HydrophobicContact CD2-CB 4.23Å; R76-P101 WeakPolarHBondContact O-CD 3.32Å; F78-P101 HydrophobicContact CD2-CB 4.19Å; V94-P101 HydrophobicContact CG1-CB 3.62Å; P101-P116 HydrophobicContact CG-CG 4.41Å; P101-P116 VanDerWaalsContact O-CD 3.29Å; P101-P116 WeakPolarHBondContact O-CD 3.35Å
102K97.2Very high94.7Very high38 Ų3849 Ų4917%0.16528%0.279CS..EExtended strand (participates in β ladder)trans-119.9140.7164.7-78.8-174.7170.4169.20110.2V94 V95 D97 F114 Y115V94-K102 CarbonylContact C-O 3.54Å; V94-K102 VanDerWaalsContact CA-O 3.26Å; V94-K102 WeakPolarHBondContact CA-O 3.4Å; V95-K102 HydrophobicContact CG2-CB 3.89Å; V95-K102 PolarHBondContact N-O 3.39Å; V95-K102 PolarHBondContact O-N 2.77Å; D97-K102 HydrophobicContact CB-CD 3.89Å; D97-K102 HydrophobicContact CB-CG 4.16Å; D97-K102 WeakPolarHBondContact OD2-CE 3.37Å; D97-K102 IonicContact OD2-NZ 2.91Å; D97-K102 PolarHBondContact OD2-NZ 3.39Å; K102-F114 CarbonylContact C-O 3.55Å; K102-F114 VanDerWaalsContact CA-O 3.31Å; K102-F114 WeakPolarHBondContact CA-O 3.35Å; K102-Y115 HydrophobicContact CD-CD2 4.49Å; K102-Y115 HydrophobicContact CD-CE1 4.41Å; K102-Y115 HydrophobicContact CD-CE2 4.38Å; K102-Y115 HydrophobicContact CG-CD1 3.83Å; K102-Y115 HydrophobicContact CG-CD2 4.41Å; K102-Y115 HydrophobicContact CG-CE1 3.93Å; K102-Y115 HydrophobicContact CG-CG 4.11Å
103V97.7Very high94.7Very high2 Ų250.5 Ų50.51%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-85.4125.2171.2-175.90000108.9V67 L73 F92 M93 V105 S113 F114V67-V103 HydrophobicContact CB-CG1 4.41Å; V67-V103 HydrophobicContact CG1-CB 4.45Å; V67-V103 HydrophobicContact CG1-CG1 3.95Å; V67-V103 HydrophobicContact CG1-CG2 4.1Å; V67-V103 HydrophobicContact CG2-CG1 3.54Å; L73-V103 HydrophobicContact CD2-CG2 4.12Å; F92-V103 HydrophobicContact CB-CG1 4.35Å; F92-V103 HydrophobicContact CD2-CG1 3.66Å; F92-V103 HydrophobicContact CD2-CG2 4.43Å; F92-V103 HydrophobicContact CE2-CG1 4.27Å; F92-V103 HydrophobicContact CE2-CG2 4.28Å; F92-V103 HydrophobicContact CG-CG1 4.21Å; M93-V103 WeakPolarHBondContact O-CA 3.38Å; V103-V105 HydrophobicContact CG1-CG1 4.15Å; V103-S113 CarbonylContact O-C 3.56Å; V103-S113 VanDerWaalsContact O-CA 3.28Å; V103-S113 WeakPolarHBondContact O-CA 3.3Å; V103-F114 PolarHBondContact N-O 2.99Å; V103-F114 PolarHBondContact O-N 2.95Å
104Q97.9Very high94.7Very high60 Ų6045.7 Ų45.728%0.2827%0.267SS..EExtended strand (participates in β ladder)trans-103.3129.8178.9-177.2174.189.400110.5M93 V95 T111 K112M93-Q104 HydrophobicContact CB-CB 4.32Å; M93-Q104 PolarHBondContact O-N 3.36Å; M93-Q104 PolarHBondContact SD-OE1 3.2Å; M93-Q104 VanDerWaalsContact SD-OE1 3.38Å; V95-Q104 HydrophobicContact CG1-CB 4.18Å; V95-Q104 HydrophobicContact CG2-CB 4.45Å; Q104-T111 HydrophobicContact CG-CG2 3.51Å; Q104-K112 WeakPolarHBondContact CA-O 3.31Å
105V97.4Very high94.6Very high2 Ų246.1 Ų46.11%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-141.4156.9-176.5-61.80000110.4F44 N65 V67 V103 K112 F114F44-V105 HydrophobicContact CB-CG2 4.26Å; F44-V105 HydrophobicContact CD1-CG2 4.32Å; F44-V105 HydrophobicContact CD2-CB 4.04Å; F44-V105 HydrophobicContact CD2-CG1 3.95Å; F44-V105 HydrophobicContact CD2-CG2 3.64Å; F44-V105 HydrophobicContact CE2-CG1 4.27Å; F44-V105 HydrophobicContact CE2-CG2 3.99Å; F44-V105 HydrophobicContact CG-CB 4.42Å; F44-V105 HydrophobicContact CG-CG2 3.81Å; F44-V105 HydrophobicContact CZ-CG2 4.46Å; N65-V105 HydrophobicContact CB-CB 4.34Å; V67-V105 HydrophobicContact CG2-CG1 3.86Å; V103-V105 HydrophobicContact CG1-CG1 4.15Å; V105-K112 PolarHBondContact N-O 3.22Å; V105-K112 PolarHBondContact O-N 2.92Å; V105-F114 HydrophobicContact CG2-CD2 3.89Å; V105-F114 HydrophobicContact CG2-CE2 3.6Å
106E97.1Very high94.6Very high76 Ų7644.5 Ų44.536%0.35526%0.258SS..EExtended strand (participates in β ladder)trans-88.1127165.5-65.1-60.3143.200109.4N65 E110 T111N65-E106 PolarHBondContact OD1-N 3.47Å; E106-E110 VanDerWaalsContact OE2-C 3.31Å; E106-T111 WeakPolarHBondContact OE1-CB 3.37Å; E106-T111 PolarHBondContact OE1-OG1 3.14Å; E106-T111 PolarHBondContact OE2-N 3.08Å
107Y93.6Very high94.7Very high3 Ų340.5 Ų40.51%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-139.6121.1177.4-179.1-131.5000109.9F44 T45 G109 E110 K112 Y525 E528F44-Y107 HydrophobicContact CB-CD2 3.9Å; F44-Y107 HydrophobicContact CB-CG 4.24Å; F44-Y107 HydrophobicContact CD1-CD1 4.38Å; F44-Y107 AromaticContact CD1-CD2 3.99Å; F44-Y107 HydrophobicContact CD1-CD2 3.99Å; F44-Y107 AromaticContact CD1-CG 3.92Å; F44-Y107 HydrophobicContact CD1-CG 3.92Å; F44-Y107 HydrophobicContact CG-CD2 4.46Å; T45-Y107 WeakPolarHBondContact O-CD2 3.21Å; Y107-G109 VanDerWaalsContact C-N 3.26Å; Y107-G109 PolarHBondContact O-N 2.93Å; Y107-E110 PolarHBondContact N-O 2.87Å; Y107-E110 PolarHBondContact O-N 3.32Å; Y107-E110 VanDerWaalsContact O-N 3.1Å; Y107-K112 HydrophobicContact CD1-CD 3.95Å; Y107-Y525 HydrophobicContact CE1-CD1 4.2Å; Y107-Y525 AromaticContact CE1-CE1 3.85Å; Y107-Y525 HydrophobicContact CE1-CE1 3.85Å; Y107-E528 PolarHBondContact OH-OE2 3.21Å
108K89.9Confident94.9Very high85 Ų8538.3 Ų38.337%0.3723%0.225SC..THydrogen-bonded Turntrans54.238.8-177.1-61.2-178.4169.4175.30113.8T45 D46 T47 E110 E528T45-K108 PolarHBondContact O-N 2.67Å; D46-K108 WeakPolarHBondContact O-CG 3.47Å; T47-K108 WeakPolarHBondContact O-CE 3.41Å; K108-E110 PolarHBondContact O-N 3.18Å; K108-E528 IonicContact NZ-OE2 3.72Å; K108-E528 PolarHBondContact NZ-OE2 2.83Å
109G87.4Confident95.3Very high63 Ų6333.6 Ų33.665%0.64919%0.185SC*.THydrogen-bonded Turntrans73.89.2-179.200000115.1Y107Y107-G109 VanDerWaalsContact C-N 3.26Å; Y107-G109 PolarHBondContact O-N 2.93Å
110E93.4Very high95.7Very high123 Ų12333.1 Ų33.158%0.57518%0.179SC*.EExtended strand (participates in β ladder)trans-117.9136.5175.2-63.9-179.8169.300111.1E106 Y107 K108 K112E106-E110 VanDerWaalsContact OE2-C 3.31Å; Y107-E110 PolarHBondContact N-O 2.87Å; Y107-E110 PolarHBondContact O-N 3.32Å; Y107-E110 VanDerWaalsContact O-N 3.1Å; K108-E110 PolarHBondContact O-N 3.18Å; E110-K112 PolarHBondContact O-N 3.36Å
111T96.8Very high96.1Very high81 Ų8132.3 Ų32.350%0.49718%0.177SC..EExtended strand (participates in β ladder)trans-68.9116168.2-500000109.4Q104 E106Q104-T111 HydrophobicContact CG-CG2 3.51Å; E106-T111 WeakPolarHBondContact OE1-CB 3.37Å; E106-T111 PolarHBondContact OE1-OG1 3.14Å; E106-T111 PolarHBondContact OE2-N 3.08Å
112K95.6Very high96.2Very high39 Ų3932.5 Ų32.517%0.1718%0.178CC..EExtended strand (participates in β ladder)trans-114156174.4-61.8-156.9-175.7-175.50111.2Q104 V105 Y107 E110 F114 Y525Q104-K112 WeakPolarHBondContact CA-O 3.31Å; V105-K112 PolarHBondContact N-O 3.22Å; V105-K112 PolarHBondContact O-N 2.92Å; Y107-K112 HydrophobicContact CD1-CD 3.95Å; E110-K112 PolarHBondContact O-N 3.36Å; K112-F114 HydrophobicContact CB-CE2 3.71Å; K112-F114 HydrophobicContact CB-CZ 3.93Å; K112-F114 HydrophobicContact CD-CZ 4.04Å; K112-Y525 PolarHBondContact NZ-OH 3.41Å
113S96.6Very high96.3Very high43 Ų4331 Ų3130%0.30117%0.171SC..EExtended strand (participates in β ladder)trans-134.8125.5178.4-61.50000109.8V103V103-S113 CarbonylContact O-C 3.56Å; V103-S113 VanDerWaalsContact O-CA 3.28Å; V103-S113 WeakPolarHBondContact O-CA 3.3Å
114F97.1Very high96.3Very high6 Ų630.9 Ų30.93%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-118.8139.3-174.1-61.8-79000110.6F44 K102 V103 V105 K112 E118 V119 M122 Y525F44-F114 HydrophobicContact CD1-CE2 4.13Å; F44-F114 HydrophobicContact CD1-CZ 4.44Å; F44-F114 HydrophobicContact CE1-CD2 4.21Å; F44-F114 AromaticContact CE1-CE2 3.5Å; F44-F114 HydrophobicContact CE1-CE2 3.5Å; F44-F114 AromaticContact CE1-CZ 3.7Å; F44-F114 HydrophobicContact CE1-CZ 3.7Å; F44-F114 HydrophobicContact CE2-CD2 4.38Å; F44-F114 HydrophobicContact CE2-CE2 4.31Å; F44-F114 AromaticContact CZ-CD2 3.83Å; F44-F114 HydrophobicContact CZ-CD2 3.83Å; F44-F114 AromaticContact CZ-CE2 3.6Å; F44-F114 HydrophobicContact CZ-CE2 3.6Å; F44-F114 HydrophobicContact CZ-CZ 4.14Å; K102-F114 CarbonylContact C-O 3.55Å; K102-F114 VanDerWaalsContact CA-O 3.31Å; K102-F114 WeakPolarHBondContact CA-O 3.35Å; V103-F114 PolarHBondContact N-O 2.99Å; V103-F114 PolarHBondContact O-N 2.95Å; V105-F114 HydrophobicContact CG2-CD2 3.89Å; V105-F114 HydrophobicContact CG2-CE2 3.6Å; K112-F114 HydrophobicContact CB-CE2 3.71Å; K112-F114 HydrophobicContact CB-CZ 3.93Å; K112-F114 HydrophobicContact CD-CZ 4.04Å; F114-E118 HydrophobicContact CB-CB 4.34Å; F114-E118 HydrophobicContact CD1-CB 4.36Å; F114-V119 HydrophobicContact CB-CG2 4.02Å; F114-M122 HydrophobicContact CD1-CE 3.89Å; F114-M122 HydrophobicContact CE1-CE 3.95Å; F114-M122 HydrophobicContact CG-CE 4.43Å; F114-Y525 HydrophobicContact CE1-CE2 4.14Å
115Y97.3Very high96.3Very high20 Ų2028.8 Ų28.88%0.07816%0.162CC..  trans-69.6152.6166.3-74.8-76.5000111.1D97 R100 K102 E117 E118 V119 L510 M518D97-Y115 PolarHBondContact OD2-OH 2.8Å; R100-Y115 HydrophobicContact CB-CE1 3.93Å; R100-Y115 VanDerWaalsContact NH1-CE1 3.3Å; K102-Y115 HydrophobicContact CD-CD2 4.49Å; K102-Y115 HydrophobicContact CD-CE1 4.41Å; K102-Y115 HydrophobicContact CD-CE2 4.38Å; K102-Y115 HydrophobicContact CG-CD1 3.83Å; K102-Y115 HydrophobicContact CG-CD2 4.41Å; K102-Y115 HydrophobicContact CG-CE1 3.93Å; K102-Y115 HydrophobicContact CG-CG 4.11Å; Y115-E117 WeakPolarHBondContact CB-OE2 3.47Å; Y115-E117 PolarHBondContact O-N 3.19Å; Y115-E118 WeakPolarHBondContact CB-OE2 3.22Å; Y115-E118 WeakPolarHBondContact CD2-OE2 3.39Å; Y115-E118 PolarHBondContact N-OE2 3.03Å; Y115-E118 WeakPolarHBondContact O-CB 3.22Å; Y115-E118 PolarHBondContact O-N 3.4Å; Y115-V119 PolarHBondContact O-N 3.42Å; Y115-V119 VanDerWaalsContact O-N 3.17Å; Y115-L510 HydrophobicContact CD2-CD2 4.07Å; Y115-L510 HydrophobicContact CE2-CD2 4.05Å; Y115-L510 HydrophobicContact CG-CD2 4.44Å; Y115-M518 HydrophobicContact CD2-CE 3.33Å; Y115-M518 HydrophobicContact CE2-CE 3.83Å; Y115-M518 HydrophobicContact CG-CE 4.27Å
116P97.3Very high96.3Very high4 Ų430.1 Ų30.13%0.02617%0.168CC..Hα-helixtrans-55.3-31.4175.7-27.435.3000113.9L73 I74 P101 E118 V119 S120L73-P116 HydrophobicContact CB-CB 4.05Å; L73-P116 HydrophobicContact CB-CG 3.61Å; L73-P116 HydrophobicContact CD2-CG 4.37Å; I74-P116 HydrophobicContact CB-CB 4.08Å; I74-P116 HydrophobicContact CG1-CB 4.26Å; P101-P116 HydrophobicContact CG-CG 4.41Å; P101-P116 VanDerWaalsContact O-CD 3.29Å; P101-P116 WeakPolarHBondContact O-CD 3.35Å; P116-E118 VanDerWaalsContact C-N 3.35Å; P116-V119 PolarHBondContact O-N 3.07Å; P116-S120 VanDerWaalsContact O-CB 3.3Å; P116-S120 WeakPolarHBondContact O-CB 3.43Å; P116-S120 PolarHBondContact O-N 3.47Å; P116-S120 PolarHBondContact O-OG 3.13Å
117E97.3Very high96.4Very high7 Ų726.5 Ų26.53%0.03315%0.151CC..Hα-helixtrans-62.4-40.6174.8-63.988.9153.900111.6I74 R100 Y115 S120 S121 A157 A161 I164 L510I74-E117 HydrophobicContact CD1-CG 4.46Å; I74-E117 HydrophobicContact CG1-CG 4.24Å; R100-E117 IonicContact CZ-OE1 2.75Å; R100-E117 IonicContact NH2-OE1 3.3Å; R100-E117 PolarHBondContact NH2-OE1 2.99Å; R100-E117 IonicContact NH2-OE2 2.69Å; R100-E117 PolarHBondContact NH2-OE2 3.19Å; Y115-E117 WeakPolarHBondContact CB-OE2 3.47Å; Y115-E117 PolarHBondContact O-N 3.19Å; E117-S120 PolarHBondContact O-N 3.36Å; E117-S121 WeakPolarHBondContact O-CB 3.4Å; E117-S121 PolarHBondContact O-N 3.16Å; E117-A157 HydrophobicContact CG-CB 3.77Å; E117-A157 WeakPolarHBondContact CG-O 3.24Å; E117-A161 HydrophobicContact CB-CB 4.43Å; E117-A161 VanDerWaalsContact O-CB 3.29Å; E117-A161 WeakPolarHBondContact O-CB 3.22Å; E117-I164 HydrophobicContact CB-CD1 4.23Å; E117-L510 HydrophobicContact CB-CD1 4.02Å; E117-L510 HydrophobicContact CG-CD1 4.1Å
118E97.6Very high96.6Very high12 Ų1227.4 Ų27.46%0.05616%0.155CC..Hα-helixtrans-69.7-42176.5-61.5173.883.600111.1F114 Y115 P116 S120 S121 M122 M518F114-E118 HydrophobicContact CB-CB 4.34Å; F114-E118 HydrophobicContact CD1-CB 4.36Å; Y115-E118 WeakPolarHBondContact CB-OE2 3.22Å; Y115-E118 WeakPolarHBondContact CD2-OE2 3.39Å; Y115-E118 PolarHBondContact N-OE2 3.03Å; Y115-E118 WeakPolarHBondContact O-CB 3.22Å; Y115-E118 PolarHBondContact O-N 3.4Å; P116-E118 VanDerWaalsContact C-N 3.35Å; E118-S120 VanDerWaalsContact C-N 3.3Å; E118-S120 PolarHBondContact O-N 3.22Å; E118-S121 PolarHBondContact O-N 3.25Å; E118-S121 PolarHBondContact O-OG 3.04Å; E118-M122 HydrophobicContact CB-CE 4.4Å; E118-M122 VanDerWaalsContact O-CG 3.26Å; E118-M122 WeakPolarHBondContact O-CG 3.45Å; E118-M122 PolarHBondContact O-N 3.35Å; E118-M122 VanDerWaalsContact O-N 3.16Å; E118-M518 HydrophobicContact CG-CE 3.92Å; E118-M518 HydrophobicContact CG-CG 3.99Å; E118-M518 HydrophobicContact CG-SD 3.62Å; E118-M518 WeakPolarHBondContact OE2-CE 3Å
119V98.3Very high96.9Very high3 Ų326.1 Ų26.12%0.01815%0.15CC..Hα-helixtrans-63.6-41.2175.8-179.70000110.6V42 V67 A70 F114 Y115 P116 M122 V123V42-V119 HydrophobicContact CB-CG1 4.27Å; V42-V119 HydrophobicContact CG2-CG1 3.95Å; V67-V119 HydrophobicContact CB-CG1 4.19Å; V67-V119 HydrophobicContact CG1-CG1 3.84Å; V67-V119 HydrophobicContact CG1-CG2 4.34Å; A70-V119 HydrophobicContact CB-CB 4.13Å; A70-V119 HydrophobicContact CB-CG1 3.76Å; F114-V119 HydrophobicContact CB-CG2 4.02Å; Y115-V119 PolarHBondContact O-N 3.42Å; Y115-V119 VanDerWaalsContact O-N 3.17Å; P116-V119 PolarHBondContact O-N 3.07Å; V119-M122 WeakPolarHBondContact O-CB 3.13Å; V119-M122 PolarHBondContact O-N 3.29Å; V119-V123 PolarHBondContact O-N 3.1Å
120S98.4Very high97.5Very high5 Ų523.6 Ų23.64%0.03512%0.122CC..Hα-helixtrans-69-34.7178.2-580000112P116 E117 E118 M122 V123 L124P116-S120 VanDerWaalsContact O-CB 3.3Å; P116-S120 WeakPolarHBondContact O-CB 3.43Å; P116-S120 PolarHBondContact O-N 3.47Å; P116-S120 PolarHBondContact O-OG 3.13Å; E117-S120 PolarHBondContact O-N 3.36Å; E118-S120 VanDerWaalsContact C-N 3.3Å; E118-S120 PolarHBondContact O-N 3.22Å; S120-M122 VanDerWaalsContact C-N 3.28Å; S120-M122 PolarHBondContact O-N 2.9Å; S120-V123 PolarHBondContact O-N 3.06Å; S120-L124 WeakPolarHBondContact O-CG 3.38Å; S120-L124 PolarHBondContact O-N 3.36Å
121S98.4Very high97.7Very high4 Ų417.7 Ų17.73%0.0289%0.094CC..Hα-helixtrans-66-30.3175.379.40000112.5E117 E118 L124 T125 A161 I164E117-S121 WeakPolarHBondContact O-CB 3.4Å; E117-S121 PolarHBondContact O-N 3.16Å; E118-S121 PolarHBondContact O-N 3.25Å; E118-S121 PolarHBondContact O-OG 3.04Å; S121-L124 PolarHBondContact O-N 3.29Å; S121-T125 WeakPolarHBondContact O-CB 3.42Å; S121-T125 PolarHBondContact O-N 3.38Å; S121-T125 PolarHBondContact O-OG1 3.09Å; S121-A161 WeakPolarHBondContact CB-O 3.49Å; S121-I164 VanDerWaalsContact OG-CG2 3.24Å; S121-I164 WeakPolarHBondContact OG-CG2 3.34Å
122M98.4Very high97.7Very high6 Ų615.5 Ų15.53%0.038%0.079CC..Hα-helixtrans-65-43.6172.4-62.7170-160.800110.9V42 F44 R49 I51 F114 E118 V119 S120 T125 K126V42-M122 HydrophobicContact CG1-CB 4.46Å; V42-M122 HydrophobicContact CG1-SD 3.7Å; V42-M122 HydrophobicContact CG2-CB 3.99Å; F44-M122 HydrophobicContact CE1-CE 4.31Å; F44-M122 HydrophobicContact CE1-SD 4.21Å; F44-M122 HydrophobicContact CZ-CE 4.12Å; F44-M122 HydrophobicContact CZ-SD 3.85Å; R49-M122 WeakPolarHBondContact CD-SD 3.24Å; R49-M122 VanDerWaalsContact NH1-CG 3.29Å; R49-M122 PolarHBondContact NH1-SD 3.37Å; I51-M122 HydrophobicContact CD1-CB 4.04Å; F114-M122 HydrophobicContact CD1-CE 3.89Å; F114-M122 HydrophobicContact CE1-CE 3.95Å; F114-M122 HydrophobicContact CG-CE 4.43Å; E118-M122 HydrophobicContact CB-CE 4.4Å; E118-M122 VanDerWaalsContact O-CG 3.26Å; E118-M122 WeakPolarHBondContact O-CG 3.45Å; E118-M122 PolarHBondContact O-N 3.35Å; E118-M122 VanDerWaalsContact O-N 3.16Å; V119-M122 WeakPolarHBondContact O-CB 3.13Å; V119-M122 PolarHBondContact O-N 3.29Å; S120-M122 VanDerWaalsContact C-N 3.28Å; S120-M122 PolarHBondContact O-N 2.9Å; M122-T125 WeakPolarHBondContact O-CB 3.38Å; M122-T125 PolarHBondContact O-N 2.88Å; M122-K126 PolarHBondContact O-N 2.76Å
123V98.7Very high97.7Very high6 Ų617.8 Ų17.84%0.03610%0.104CC..Hα-helixtrans-63.3-43.8174.6179.30000111.1L11 S16 V42 V119 S120 T125 K126 M127L11-V123 HydrophobicContact CD1-CB 4.15Å; L11-V123 HydrophobicContact CD1-CG1 3.78Å; S16-V123 WeakPolarHBondContact OG-CG1 3.49Å; V42-V123 HydrophobicContact CG2-CG2 3.9Å; V119-V123 PolarHBondContact O-N 3.1Å; S120-V123 PolarHBondContact O-N 3.06Å; V123-T125 VanDerWaalsContact C-N 3.33Å; V123-T125 PolarHBondContact O-N 3.46Å; V123-K126 PolarHBondContact O-N 3.33Å; V123-M127 WeakPolarHBondContact O-CG 3.46Å; V123-M127 PolarHBondContact O-N 2.89Å
124L98.6Very high97.7Very high0 Ų021.3 Ų21.30%011%0.112CC..Hα-helixtrans-63.4-38.1176.2-70174.1000112.3I9 L11 S120 S121 M127 K128 V144 A161 A165 L167I9-L124 HydrophobicContact CB-CD2 4.47Å; I9-L124 HydrophobicContact CD1-CD2 4.26Å; I9-L124 HydrophobicContact CG2-CD2 3.75Å; L11-L124 HydrophobicContact CB-CD2 4.2Å; L11-L124 HydrophobicContact CD1-CD2 4.15Å; L11-L124 HydrophobicContact CD1-CG 4.3Å; L11-L124 HydrophobicContact CD2-CD1 4.22Å; L11-L124 HydrophobicContact CD2-CD2 4.12Å; L11-L124 HydrophobicContact CD2-CG 4.16Å; L11-L124 HydrophobicContact CG-CD2 4.38Å; S120-L124 WeakPolarHBondContact O-CG 3.38Å; S120-L124 PolarHBondContact O-N 3.36Å; S121-L124 PolarHBondContact O-N 3.29Å; L124-M127 PolarHBondContact O-N 3.4Å; L124-K128 WeakPolarHBondContact O-CB 3.45Å; L124-K128 PolarHBondContact O-N 3.3Å; L124-V144 HydrophobicContact CD2-CG1 4.22Å; L124-V144 HydrophobicContact CD2-CG2 4.47Å; L124-A161 HydrophobicContact CD1-CB 4.05Å; L124-A165 HydrophobicContact CB-CB 3.79Å; L124-L167 HydrophobicContact CB-CD1 4.47Å
125T97.9Very high97.7Very high17 Ų1722.3 Ų22.310%0.10412%0.117CC..Hα-helixtrans-59.7-45.4172.9-61.60000110.6S121 M122 V123 M127 K128 E129S121-T125 WeakPolarHBondContact O-CB 3.42Å; S121-T125 PolarHBondContact O-N 3.38Å; S121-T125 PolarHBondContact O-OG1 3.09Å; M122-T125 WeakPolarHBondContact O-CB 3.38Å; M122-T125 PolarHBondContact O-N 2.88Å; V123-T125 VanDerWaalsContact C-N 3.33Å; V123-T125 PolarHBondContact O-N 3.46Å; T125-M127 VanDerWaalsContact C-N 3.31Å; T125-M127 PolarHBondContact O-N 3.1Å; T125-K128 WeakPolarHBondContact O-CB 3.28Å; T125-K128 PolarHBondContact O-N 2.84Å; T125-E129 HydrophobicContact CG2-CG 4.46Å; T125-E129 WeakPolarHBondContact O-CG 3.48Å; T125-E129 PolarHBondContact O-N 3.3Å
126K97.9Very high97.6Very high29 Ų2924.6 Ų24.613%0.12615%0.147CC..Hα-helixtrans-61.6-38.6175.2-176.860.5175.9-179.20112.2D32 T38 I51 M122 V123 E129 I130D32-K126 IonicContact OD1-NZ 3.48Å; D32-K126 IonicContact OD2-NZ 2.7Å; D32-K126 PolarHBondContact OD2-NZ 2.76Å; T38-K126 HydrophobicContact CG2-CG 4.47Å; I51-K126 HydrophobicContact CB-CB 4.23Å; I51-K126 HydrophobicContact CB-CG 4.41Å; I51-K126 HydrophobicContact CG2-CB 3.62Å; I51-K126 HydrophobicContact CG2-CG 4.03Å; M122-K126 PolarHBondContact O-N 2.76Å; V123-K126 PolarHBondContact O-N 3.33Å; K126-E129 PolarHBondContact O-N 3.11Å; K126-I130 HydrophobicContact CD-CD1 4.45Å; K126-I130 HydrophobicContact CG-CD1 4.13Å; K126-I130 WeakPolarHBondContact O-CD1 3.45Å; K126-I130 VanDerWaalsContact O-CG1 3.24Å; K126-I130 WeakPolarHBondContact O-CG1 3.23Å; K126-I130 PolarHBondContact O-N 3.45Å
127M98.6Very high97.4Very high1 Ų131.1 Ų31.11%0.00518%0.175CC..Hα-helixtrans-66.4-40.4176.9-66.2-5497.100111.6I9 V18 T38 V123 L124 T125 I130 A131I9-M127 HydrophobicContact CD1-CB 4.09Å; I9-M127 HydrophobicContact CG1-CB 4.34Å; I9-M127 HydrophobicContact CG2-CB 4.04Å; I9-M127 HydrophobicContact CG2-CG 3.9Å; V18-M127 HydrophobicContact CB-CB 4.26Å; V18-M127 HydrophobicContact CB-SD 4.37Å; V18-M127 HydrophobicContact CG1-SD 4.27Å; T38-M127 HydrophobicContact CG2-CE 3.64Å; V123-M127 WeakPolarHBondContact O-CG 3.46Å; V123-M127 PolarHBondContact O-N 2.89Å; L124-M127 PolarHBondContact O-N 3.4Å; T125-M127 VanDerWaalsContact C-N 3.31Å; T125-M127 PolarHBondContact O-N 3.1Å; M127-I130 HydrophobicContact CE-CD1 3.54Å; M127-I130 PolarHBondContact O-N 3.38Å; M127-I130 HydrophobicContact SD-CD1 4.35Å; M127-A131 PolarHBondContact O-N 3.01Å; M127-A131 VanDerWaalsContact O-N 3.11Å
128K97.9Very high97.3Very high22 Ų2235.4 Ų35.410%0.09620%0.202CC..Hα-helixtrans-60.3-49.2172.5172.8-178.1172.2167.40111.1L124 T125 I130 A131 E132 V139 A165 G166 L167L124-K128 WeakPolarHBondContact O-CB 3.45Å; L124-K128 PolarHBondContact O-N 3.3Å; T125-K128 WeakPolarHBondContact O-CB 3.28Å; T125-K128 PolarHBondContact O-N 2.84Å; K128-I130 VanDerWaalsContact C-N 3.33Å; K128-I130 PolarHBondContact O-N 3.36Å; K128-A131 CarbonylContact O-C 3.57Å; K128-A131 PolarHBondContact O-N 3.39Å; K128-A131 VanDerWaalsContact O-N 3.11Å; K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 HydrophobicContact CG-CG 4.22Å; K128-E132 VanDerWaalsContact O-CG 3.32Å; K128-E132 WeakPolarHBondContact O-CG 3.34Å; K128-E132 PolarHBondContact O-N 3.28Å; K128-V139 WeakPolarHBondContact CE-O 3.35Å; K128-V139 HydrophobicContact CG-CB 4.32Å; K128-A165 PolarHBondContact NZ-O 3.44Å; K128-G166 PolarHBondContact NZ-O 3.31Å; K128-L167 HydrophobicContact CB-CD2 4.37Å; K128-L167 HydrophobicContact CD-CD2 3.83Å; K128-L167 HydrophobicContact CD-CG 4.24Å; K128-L167 HydrophobicContact CG-CD2 4.18Å
129E96.4Very high97.2Very high57 Ų5734.8 Ų34.827%0.26620%0.199SC..Hα-helixtrans-58.8-42.1178.5-73.7171.1176.800112.6T125 K126 A131 E132 A133T125-E129 HydrophobicContact CG2-CG 4.46Å; T125-E129 WeakPolarHBondContact O-CG 3.48Å; T125-E129 PolarHBondContact O-N 3.3Å; K126-E129 PolarHBondContact O-N 3.11Å; E129-A131 VanDerWaalsContact C-N 3.32Å; E129-A131 PolarHBondContact O-N 3.26Å; E129-E132 PolarHBondContact O-N 2.9Å; E129-A133 WeakPolarHBondContact O-CB 3.14Å; E129-A133 PolarHBondContact O-N 2.89Å
130I98.3Very high97Very high10 Ų1037.4 Ų37.45%0.05122%0.215CC..Hα-helixtrans-59-46.1175.1-71.4161.3000110.2V18 I29 N31 K126 M127 K128 Y134V18-I130 HydrophobicContact CG1-CB 4.34Å; V18-I130 HydrophobicContact CG1-CG2 3.88Å; I29-I130 HydrophobicContact CB-CG2 4.28Å; I29-I130 HydrophobicContact CG2-CG2 3.6Å; N31-I130 HydrophobicContact CB-CD1 3.54Å; N31-I130 HydrophobicContact CB-CG1 3.99Å; K126-I130 HydrophobicContact CD-CD1 4.45Å; K126-I130 HydrophobicContact CG-CD1 4.13Å; K126-I130 WeakPolarHBondContact O-CD1 3.45Å; K126-I130 VanDerWaalsContact O-CG1 3.24Å; K126-I130 WeakPolarHBondContact O-CG1 3.23Å; K126-I130 PolarHBondContact O-N 3.45Å; M127-I130 HydrophobicContact CE-CD1 3.54Å; M127-I130 PolarHBondContact O-N 3.38Å; M127-I130 HydrophobicContact SD-CD1 4.35Å; K128-I130 VanDerWaalsContact C-N 3.33Å; K128-I130 PolarHBondContact O-N 3.36Å; I130-Y134 PolarHBondContact O-N 3.01Å; I130-Y134 VanDerWaalsContact O-N 3.12Å
131A98.1Very high97Very high0 Ų038.1 Ų38.10%022%0.219CC..Hα-helixtrans-67.4-40.2177.400000112.8V7 V18 I29 M127 K128 E129 Y134 L135 V139V7-A131 HydrophobicContact CG1-CB 3.86Å; V18-A131 HydrophobicContact CG2-CB 4.13Å; I29-A131 HydrophobicContact CD1-CB 3.95Å; M127-A131 PolarHBondContact O-N 3.01Å; M127-A131 VanDerWaalsContact O-N 3.11Å; K128-A131 CarbonylContact O-C 3.57Å; K128-A131 PolarHBondContact O-N 3.39Å; K128-A131 VanDerWaalsContact O-N 3.11Å; E129-A131 VanDerWaalsContact C-N 3.32Å; E129-A131 PolarHBondContact O-N 3.26Å; A131-Y134 PolarHBondContact O-N 2.68Å; A131-L135 VanDerWaalsContact O-CB 3.25Å; A131-L135 WeakPolarHBondContact O-CB 3.4Å; A131-L135 WeakPolarHBondContact O-CG 3.46Å; A131-L135 PolarHBondContact O-N 2.79Å; A131-V139 HydrophobicContact CB-CG2 4.17Å
132E96.8Very high97Very high35 Ų3538 Ų3816%0.16422%0.217CC..Hα-helixtrans-63.2-41.9177.2-71-176.615400111.7K128 E129 Y134 L135 G136 K137 T138 V139K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 HydrophobicContact CG-CG 4.22Å; K128-E132 VanDerWaalsContact O-CG 3.32Å; K128-E132 WeakPolarHBondContact O-CG 3.34Å; K128-E132 PolarHBondContact O-N 3.28Å; E129-E132 PolarHBondContact O-N 2.9Å; E132-Y134 VanDerWaalsContact C-N 3.35Å; E132-L135 PolarHBondContact O-N 2.73Å; E132-G136 WeakPolarHBondContact O-CA 3.47Å; E132-G136 PolarHBondContact O-N 3.27Å; E132-K137 WeakPolarHBondContact CA-O 3.41Å; E132-K137 WeakPolarHBondContact CG-O 3.49Å; E132-T138 WeakPolarHBondContact OE1-CA 3.18Å; E132-T138 WeakPolarHBondContact OE1-CG2 3.43Å; E132-V139 HydrophobicContact CG-CB 3.89Å; E132-V139 HydrophobicContact CG-CG2 3.78Å; E132-V139 PolarHBondContact OE1-N 2.8Å
133A96.3Very high97Very high86 Ų8637.7 Ų37.771%0.71122%0.216SC*.Hα-helixtrans-62.4-41.3175.600000111.9E129E129-A133 WeakPolarHBondContact O-CB 3.14Å; E129-A133 PolarHBondContact O-N 2.89Å
134Y97.1Very high97Very high118 Ų11837.4 Ų37.446%0.46321%0.214SC..Hα-helixtrans-67.9-42.7176.4-177.1-103.5000112.7V20 E27 I29 I130 A131 E132V20-Y134 HydrophobicContact CG1-CE1 4.32Å; E27-Y134 WeakPolarHBondContact OE2-CE1 3.41Å; E27-Y134 PolarHBondContact OE2-OH 3.44Å; I29-Y134 HydrophobicContact CD1-CD1 3.99Å; I29-Y134 HydrophobicContact CD1-CG 4.37Å; I29-Y134 HydrophobicContact CG1-CD1 3.95Å; I29-Y134 HydrophobicContact CG1-CE1 4.37Å; I29-Y134 HydrophobicContact CG1-CG 4.18Å; I29-Y134 HydrophobicContact CG2-CD1 4.36Å; I29-Y134 HydrophobicContact CG2-CD2 4.04Å; I29-Y134 HydrophobicContact CG2-CG 3.73Å; I130-Y134 PolarHBondContact O-N 3.01Å; I130-Y134 VanDerWaalsContact O-N 3.12Å; A131-Y134 PolarHBondContact O-N 2.68Å; E132-Y134 VanDerWaalsContact C-N 3.35Å
135L95.8Very high97Very high26 Ų2637.4 Ų37.414%0.13621%0.214CC..Hα-helixtrans-85-18-173.4-66.6178.7000114.2P5 V7 V20 A131 E132 K137 V139P5-L135 HydrophobicContact CB-CD1 3.92Å; P5-L135 HydrophobicContact CG-CD1 4.09Å; V7-L135 HydrophobicContact CG1-CD1 4.5Å; V20-L135 HydrophobicContact CG1-CD2 4.39Å; V20-L135 HydrophobicContact CG2-CD1 4.35Å; V20-L135 HydrophobicContact CG2-CD2 4.45Å; A131-L135 VanDerWaalsContact O-CB 3.25Å; A131-L135 WeakPolarHBondContact O-CB 3.4Å; A131-L135 WeakPolarHBondContact O-CG 3.46Å; A131-L135 PolarHBondContact O-N 2.79Å; E132-L135 PolarHBondContact O-N 2.73Å; L135-K137 PolarHBondContact O-N 3.16Å; L135-V139 HydrophobicContact CD1-CG2 3.85Å
136G95.3Very high96.9Very high69 Ų6936.6 Ų36.671%0.71121%0.209SC*.THydrogen-bonded Turntrans6223.1-171.500000113.4E132E132-G136 WeakPolarHBondContact O-CA 3.47Å; E132-G136 PolarHBondContact O-N 3.27Å
137K94.4Very high96.7Very high141 Ų14135.2 Ų35.261%0.61320%0.203SC*.SBendtrans-144.2149.6-174.6-66.4176.7-173.7171.40110.4P5 E132 L135P5-K137 HydrophobicContact CG-CB 4.35Å; E132-K137 WeakPolarHBondContact CA-O 3.41Å; E132-K137 WeakPolarHBondContact CG-O 3.49Å; L135-K137 PolarHBondContact O-N 3.16Å
138T93.7Very high96.3Very high96 Ų9635.1 Ų35.159%0.58920%0.203SC*.  trans-64.6132.1172.4-520000111.3E132 T140E132-T138 WeakPolarHBondContact OE1-CA 3.18Å; E132-T138 WeakPolarHBondContact OE1-CG2 3.43Å; T138-T140 HydrophobicContact CG2-CG2 4.05Å
139V95.9Very high95.7Very high0 Ų036.2 Ų36.20%021%0.207CC..  trans-103.5119178.2173.90000108.4P5 V7 K128 A131 E132 L135 L167P5-V139 HydrophobicContact CG-CG2 4.09Å; V7-V139 HydrophobicContact CB-CG1 4.41Å; V7-V139 HydrophobicContact CG1-CG1 3.87Å; V7-V139 HydrophobicContact CG1-CG2 4.27Å; V7-V139 HydrophobicContact CG2-CG1 3.68Å; K128-V139 WeakPolarHBondContact CE-O 3.35Å; K128-V139 HydrophobicContact CG-CB 4.32Å; A131-V139 HydrophobicContact CB-CG2 4.17Å; E132-V139 HydrophobicContact CG-CB 3.89Å; E132-V139 HydrophobicContact CG-CG2 3.78Å; E132-V139 PolarHBondContact OE1-N 2.8Å; L135-V139 HydrophobicContact CD1-CG2 3.85Å; V139-L167 HydrophobicContact CG1-CD2 4.25Å
140T94.8Very high95.2Very high58 Ų5833.6 Ų33.636%0.35620%0.195SC..  trans-117.7-12.1-177.255.60000113.6T138 N168T138-T140 HydrophobicContact CG2-CG2 4.05Å; T140-N168 WeakPolarHBondContact O-CB 3.47Å; T140-N168 PolarHBondContact O-N 3.43Å
141N97.4Very high94.6Very high20 Ų2034.3 Ų34.311%0.10720%0.198CC..EExtended strand (participates in β ladder)trans-121.1141.3-177.7-60.2-70.1000110.2G4 A6 V7 N168 L170G4-N141 PolarHBondContact O-ND2 2.87Å; A6-N141 VanDerWaalsContact CA-O 3.31Å; A6-N141 WeakPolarHBondContact CA-O 3.3Å; A6-N141 HydrophobicContact CB-CB 3.8Å; V7-N141 PolarHBondContact N-O 2.89Å; N141-N168 WeakPolarHBondContact CA-O 3.31Å; N141-N168 PolarHBondContact OD1-ND2 3.4Å; N141-L170 HydrophobicContact CB-CD1 3.88Å; N141-L170 HydrophobicContact CB-CD2 4.32Å; N141-L170 HydrophobicContact CB-CG 4.02Å
142A98.3Very high93.9Very high0 Ų034.7 Ų34.70%020%0.2CC..EExtended strand (participates in β ladder)trans-144.9152.3175.800000112.5V7 I9 V144 L167 N168 V169 L170V7-A142 HydrophobicContact CG2-CB 4.08Å; V7-A142 CarbonylContact O-C 3.55Å; V7-A142 VanDerWaalsContact O-CA 3.25Å; V7-A142 WeakPolarHBondContact O-CA 3.37Å; I9-A142 HydrophobicContact CD1-CB 4.15Å; A142-V144 HydrophobicContact CB-CG2 4.19Å; A142-L167 HydrophobicContact CB-CB 4.33Å; A142-L167 HydrophobicContact CB-CD1 4.03Å; A142-L167 HydrophobicContact CB-CD2 4.2Å; A142-L167 HydrophobicContact CB-CG 4.43Å; A142-N168 PolarHBondContact N-O 2.93Å; A142-V169 CarbonylContact O-C 3.55Å; A142-V169 WeakPolarHBondContact O-CA 3.35Å; A142-L170 PolarHBondContact O-N 3.39Å
143V98.6Very high93.4Very high0 Ų033.9 Ų33.90%020%0.198CC..EExtended strand (participates in β ladder)trans-103.5127.1156.9173.90000106.9V7 I9 L170 R171 I173 A373 Q376 A377 L380V7-V143 PolarHBondContact O-N 3.49Å; I9-V143 PolarHBondContact N-O 2.9Å; V143-L170 HydrophobicContact CG2-CB 4.38Å; V143-R171 WeakPolarHBondContact CA-O 3.41Å; V143-R171 HydrophobicContact CG1-CB 4.21Å; V143-R171 HydrophobicContact CG2-CB 4.05Å; V143-I173 HydrophobicContact CG1-CB 4.03Å; V143-I173 HydrophobicContact CG1-CG2 3.56Å; V143-A373 HydrophobicContact CG1-CB 4.2Å; V143-Q376 HydrophobicContact CG1-CB 4.27Å; V143-Q376 HydrophobicContact CG1-CG 4.27Å; V143-Q376 HydrophobicContact CG2-CB 4.43Å; V143-Q376 HydrophobicContact CG2-CG 4.27Å; V143-A377 HydrophobicContact CB-CB 4.17Å; V143-A377 HydrophobicContact CG2-CB 3.74Å; V143-L380 HydrophobicContact CG2-CD1 3.94Å
144V98.6Very high93.1Very high0 Ų029.9 Ų29.90%017%0.165CC..EExtended strand (participates in β ladder)trans-117.1136.6-176.3-1770000109.3I9 L11 L124 A142 T158 V169 R171 I172 I173I9-V144 WeakPolarHBondContact O-CA 3.49Å; L11-V144 HydrophobicContact CB-CG1 4.15Å; L124-V144 HydrophobicContact CD2-CG1 4.22Å; L124-V144 HydrophobicContact CD2-CG2 4.47Å; A142-V144 HydrophobicContact CB-CG2 4.19Å; V144-T158 HydrophobicContact CG1-CG2 3.96Å; V144-V169 HydrophobicContact CG2-CG1 4.38Å; V144-V169 HydrophobicContact CG2-CG2 4.42Å; V144-R171 PolarHBondContact N-O 3.31Å; V144-R171 VanDerWaalsContact N-O 3.13Å; V144-I172 HydrophobicContact CB-CD1 4.17Å; V144-I172 WeakPolarHBondContact O-CA 3.28Å; V144-I173 PolarHBondContact O-N 3.41Å; V144-I173 VanDerWaalsContact O-N 3.07Å
145T98.4Very high92.8Very high0 Ų024.6 Ų24.60%015%0.145CC..EExtended strand (participates in β ladder)trans-86.7151.8-177.5680000112.9I9 D10 L11 I173 V369 A373I9-T145 PolarHBondContact O-N 3.18Å; D10-T145 VanDerWaalsContact CA-OG1 3.27Å; D10-T145 WeakPolarHBondContact CA-OG1 3.43Å; D10-T145 HydrophobicContact CB-CG2 4.49Å; D10-T145 PolarHBondContact OD1-OG1 2.89Å; L11-T145 PolarHBondContact N-OG1 3.48Å; T145-I173 CarbonylContact C-O 3.43Å; T145-I173 VanDerWaalsContact CA-O 3.26Å; T145-I173 WeakPolarHBondContact CA-O 3.37Å; T145-I173 HydrophobicContact CG2-CG2 3.73Å; T145-V369 HydrophobicContact CG2-CG1 3.41Å; T145-V369 VanDerWaalsContact CG2-CG1 3.41Å; T145-A373 HydrophobicContact CG2-CB 3.8Å
146V96.5Very high92.5Very high0 Ų025.1 Ų25.10%015%0.146CC..EExtended strand (participates in β ladder)trans-140.3154.4169.7-66.10000110.4F150 R155 T158 I172 I173 N174 E175V146-F150 HydrophobicContact CB-CB 4.43Å; V146-F150 HydrophobicContact CB-CD2 3.73Å; V146-F150 HydrophobicContact CB-CE2 4.34Å; V146-F150 HydrophobicContact CB-CG 4.26Å; V146-F150 HydrophobicContact CG1-CD2 3.89Å; V146-F150 HydrophobicContact CG1-CE2 4.27Å; V146-R155 HydrophobicContact CG2-CG 4.34Å; V146-T158 HydrophobicContact CG1-CG2 3.76Å; V146-I172 HydrophobicContact CB-CG2 4.15Å; V146-I172 HydrophobicContact CG1-CG2 3.73Å; V146-I172 HydrophobicContact CG2-CG2 3.32Å; V146-I173 PolarHBondContact N-O 3.29Å; V146-N174 CarbonylContact O-C 3.49Å; V146-N174 VanDerWaalsContact O-CA 3.3Å; V146-N174 WeakPolarHBondContact O-CA 3.5Å; V146-E175 VanDerWaalsContact C-OE1 3.25Å; V146-E175 WeakPolarHBondContact O-CG 3.37Å; V146-E175 PolarHBondContact O-N 3.36Å
147P94.3Very high92.4Very high0 Ų022 Ų220%011%0.113CC..  trans-55.6142.3170.6-2838.5000110.5Y149 F150 E175 T204 D206P147-Y149 PolarHBondContact O-N 3.33Å; P147-F150 HydrophobicContact CB-CD1 3.6Å; P147-F150 HydrophobicContact CB-CE1 3.97Å; P147-F150 HydrophobicContact CB-CG 4.21Å; P147-F150 HydrophobicContact CG-CD1 3.56Å; P147-F150 HydrophobicContact CG-CE1 3.4Å; P147-F150 VanDerWaalsContact CG-CE1 3.4Å; P147-F150 HydrophobicContact CG-CE2 4.48Å; P147-F150 HydrophobicContact CG-CG 4.2Å; P147-F150 HydrophobicContact CG-CZ 3.91Å; P147-F150 WeakPolarHBondContact O-CB 3.38Å; P147-F150 PolarHBondContact O-N 3.48Å; P147-E175 WeakPolarHBondContact CD-OE1 3.46Å; P147-E175 WeakPolarHBondContact CG-OE1 3.41Å; P147-E175 VanDerWaalsContact N-OE1 3.12Å; P147-T204 HydrophobicContact CB-CG2 4.4Å; P147-T204 HydrophobicContact CG-CG2 3.81Å; P147-D206 WeakPolarHBondContact CA-OD2 3.26Å; P147-D206 WeakPolarHBondContact CB-OD2 3.28Å
148A88.9Confident92.5Very high0 Ų015.3 Ų15.30%08%0.084CC..THydrogen-bonded Turntrans-61.6-34.9-177.200000111.6F150 R155 N174 P176 D206 T222 P398A148-F150 VanDerWaalsContact C-N 3.28Å; A148-F150 PolarHBondContact O-N 2.84Å; A148-R155 PolarHBondContact O-NH2 3.04Å; A148-N174 HydrophobicContact CB-CB 4.13Å; A148-P176 HydrophobicContact CB-CG 3.58Å; A148-D206 HydrophobicContact CB-CB 4.39Å; A148-D206 PolarHBondContact N-OD1 3.13Å; A148-D206 PolarHBondContact N-OD2 3.24Å; A148-T222 HydrophobicContact CB-CG2 4.48Å; A148-T222 VanDerWaalsContact CB-OG1 3.26Å; A148-T222 WeakPolarHBondContact CB-OG1 3.39Å; A148-P398 WeakPolarHBondContact O-CB 3.45Å; A148-P398 WeakPolarHBondContact O-CG 3.43Å
149Y85.3Confident92.6Very high45 Ų4513.3 Ų13.318%0.1767%0.067CC..THydrogen-bonded Turntrans-84.59.2178.7-141.3-110.3000114.6P147 N151 D206 T226 K319 P398 L399P147-Y149 PolarHBondContact O-N 3.33Å; Y149-N151 PolarHBondContact O-N 2.86Å; Y149-D206 PolarHBondContact N-OD1 2.91Å; Y149-D206 VanDerWaalsContact N-OD1 3.1Å; Y149-T226 HydrophobicContact CD1-CG2 4.33Å; Y149-T226 WeakPolarHBondContact O-CG2 3.3Å; Y149-K319 PolarHBondContact OH-NZ 2.87Å; Y149-K319 VanDerWaalsContact OH-NZ 3.11Å; Y149-P398 HydrophobicContact CD2-CB 3.82Å; Y149-P398 HydrophobicContact CE2-CB 4.26Å; Y149-L399 HydrophobicContact CE1-CD2 4.17Å; Y149-L399 HydrophobicContact CE2-CD2 4.19Å; Y149-L399 WeakPolarHBondContact OH-CD2 3.35Å
150F87.6Confident92.5Very high2 Ų213.8 Ų13.81%0.0097%0.07CC..  trans-61.9135.7169.3-96.122.2000111.2K71 I74 V146 P147 A148 Q154 R155 T226K71-F150 HydrophobicContact CG-CZ 3.95Å; I74-F150 HydrophobicContact CG2-CE2 4.13Å; I74-F150 HydrophobicContact CG2-CZ 4.15Å; V146-F150 HydrophobicContact CB-CB 4.43Å; V146-F150 HydrophobicContact CB-CD2 3.73Å; V146-F150 HydrophobicContact CB-CE2 4.34Å; V146-F150 HydrophobicContact CB-CG 4.26Å; V146-F150 HydrophobicContact CG1-CD2 3.89Å; V146-F150 HydrophobicContact CG1-CE2 4.27Å; P147-F150 HydrophobicContact CB-CD1 3.6Å; P147-F150 HydrophobicContact CB-CE1 3.97Å; P147-F150 HydrophobicContact CB-CG 4.21Å; P147-F150 HydrophobicContact CG-CD1 3.56Å; P147-F150 HydrophobicContact CG-CE1 3.4Å; P147-F150 VanDerWaalsContact CG-CE1 3.4Å; P147-F150 HydrophobicContact CG-CE2 4.48Å; P147-F150 HydrophobicContact CG-CG 4.2Å; P147-F150 HydrophobicContact CG-CZ 3.91Å; P147-F150 WeakPolarHBondContact O-CB 3.38Å; P147-F150 PolarHBondContact O-N 3.48Å; A148-F150 VanDerWaalsContact C-N 3.28Å; A148-F150 PolarHBondContact O-N 2.84Å; F150-Q154 HydrophobicContact CB-CB 4.12Å; F150-Q154 HydrophobicContact CD1-CB 4.3Å; F150-Q154 HydrophobicContact CD2-CB 3.4Å; F150-Q154 HydrophobicContact CD2-CG 4.47Å; F150-Q154 HydrophobicContact CE2-CB 3.76Å; F150-Q154 HydrophobicContact CG-CB 3.7Å; F150-Q154 HydrophobicContact CG-CG 4.49Å; F150-Q154 HydrophobicContact CZ-CB 4.33Å; F150-R155 HydrophobicContact CB-CG 4.11Å; F150-R155 PolarHBondContact O-NE 2.85Å; F150-T226 HydrophobicContact CD1-CG2 4.14Å
151N83.6Confident92.6Very high25 Ų2511 Ų1113%0.1345%0.053CC..  trans-80.5176.2174.973.715000113.5Y149 S153 Q154 R155 E444Y149-N151 PolarHBondContact O-N 2.86Å; N151-S153 VanDerWaalsContact C-N 3.32Å; N151-S153 PolarHBondContact O-N 3.47Å; N151-S153 WeakPolarHBondContact OD1-CB 3.3Å; N151-S153 PolarHBondContact OD1-N 3.07Å; N151-S153 VanDerWaalsContact OD1-N 3.11Å; N151-Q154 VanDerWaalsContact N-OE1 3.14Å; N151-Q154 PolarHBondContact O-N 3.16Å; N151-Q154 WeakPolarHBondContact OD1-CB 3.27Å; N151-Q154 WeakPolarHBondContact OD1-CG 3.49Å; N151-Q154 PolarHBondContact OD1-N 3.43Å; N151-Q154 PolarHBondContact OD1-OE1 3.37Å; N151-R155 VanDerWaalsContact O-CG 3.32Å; N151-R155 WeakPolarHBondContact O-CG 3.28Å; N151-R155 PolarHBondContact O-N 3.3Å; N151-E444 WeakPolarHBondContact CB-OE1 3.43Å; N151-E444 WeakPolarHBondContact CB-OE2 3.31Å; N151-E444 PolarHBondContact ND2-OE1 3.22Å; N151-E444 VanDerWaalsContact ND2-OE1 3.1Å
152D83.5Confident92.6Very high7 Ų710.1 Ų10.14%0.0375%0.048CC..Hα-helixtrans-56.2-46.8-179.4-177.191000111.5Q154 R155 Q156 L456 L486 R509D152-Q154 PolarHBondContact O-N 3.29Å; D152-R155 PolarHBondContact O-N 3.13Å; D152-Q156 PolarHBondContact O-N 3.19Å; D152-L456 HydrophobicContact CB-CD1 4.46Å; D152-L456 HydrophobicContact CB-CD2 3.97Å; D152-L486 PolarHBondContact OD1-N 3.43Å; D152-R509 PolarHBondContact O-NH2 3.38Å; D152-R509 IonicContact OD2-CZ 3.09Å; D152-R509 VanDerWaalsContact OD2-CZ 3.3Å; D152-R509 IonicContact OD2-NH1 3.72Å; D152-R509 PolarHBondContact OD2-NH1 2.89Å; D152-R509 IonicContact OD2-NH2 3.9Å; D152-R509 PolarHBondContact OD2-NH2 3.32Å
153S86.2Confident92.5Very high18 Ų1812.8 Ų12.813%0.1267%0.065CC..Hα-helixtrans-55.4-48.1-179.4-68.50000112.4G75 N151 A157G75-S153 WeakPolarHBondContact O-CB 3.49Å; N151-S153 VanDerWaalsContact C-N 3.32Å; N151-S153 PolarHBondContact O-N 3.47Å; N151-S153 WeakPolarHBondContact OD1-CB 3.3Å; N151-S153 PolarHBondContact OD1-N 3.07Å; N151-S153 VanDerWaalsContact OD1-N 3.11Å; S153-A157 VanDerWaalsContact O-CB 3.29Å; S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 3.2Å
154Q90.6Very high92.4Very high3 Ų313 Ų131%0.0147%0.066CC..Hα-helixtrans-69-38.9179.9-62.9174.9-65.200113.1I74 F150 N151 D152 A157 T158I74-Q154 WeakPolarHBondContact O-CG 3.36Å; F150-Q154 HydrophobicContact CB-CB 4.12Å; F150-Q154 HydrophobicContact CD1-CB 4.3Å; F150-Q154 HydrophobicContact CD2-CB 3.4Å; F150-Q154 HydrophobicContact CD2-CG 4.47Å; F150-Q154 HydrophobicContact CE2-CB 3.76Å; F150-Q154 HydrophobicContact CG-CB 3.7Å; F150-Q154 HydrophobicContact CG-CG 4.49Å; F150-Q154 HydrophobicContact CZ-CB 4.33Å; N151-Q154 VanDerWaalsContact N-OE1 3.14Å; N151-Q154 PolarHBondContact O-N 3.16Å; N151-Q154 WeakPolarHBondContact OD1-CB 3.27Å; N151-Q154 WeakPolarHBondContact OD1-CG 3.49Å; N151-Q154 PolarHBondContact OD1-N 3.43Å; N151-Q154 PolarHBondContact OD1-OE1 3.37Å; D152-Q154 PolarHBondContact O-N 3.29Å; Q154-A157 PolarHBondContact O-N 2.95Å; Q154-T158 WeakPolarHBondContact O-CB 3.45Å; Q154-T158 PolarHBondContact O-N 3Å; Q154-T158 PolarHBondContact O-OG1 3.41Å
155R91.4Very high92.3Very high7 Ų713.3 Ų13.33%0.0267%0.069CC..Hα-helixtrans-61.6-49176.7-73.4173.4-178.2-81.2-9.4111.6V146 A148 F150 N151 D152 T158 K159 N174V146-R155 HydrophobicContact CG2-CG 4.34Å; A148-R155 PolarHBondContact O-NH2 3.04Å; F150-R155 HydrophobicContact CB-CG 4.11Å; F150-R155 PolarHBondContact O-NE 2.85Å; N151-R155 VanDerWaalsContact O-CG 3.32Å; N151-R155 WeakPolarHBondContact O-CG 3.28Å; N151-R155 PolarHBondContact O-N 3.3Å; D152-R155 PolarHBondContact O-N 3.13Å; R155-T158 PolarHBondContact O-N 3.42Å; R155-K159 PolarHBondContact O-N 3.07Å; R155-N174 VanDerWaalsContact CZ-OD1 3.24Å; R155-N174 PolarHBondContact NH1-OD1 3.27Å; R155-N174 PolarHBondContact NH2-OD1 3Å
156Q89.6Confident92.2Very high37 Ų3715.2 Ų15.217%0.1739%0.088CC..Hα-helixtrans-66.7-42.9177.6-173.86451.300111.7D152 T158 K159 D160D152-Q156 PolarHBondContact O-N 3.19Å; Q156-T158 PolarHBondContact O-N 3.18Å; Q156-K159 CarbonylContact O-C 3.58Å; Q156-K159 WeakPolarHBondContact O-CA 3.46Å; Q156-K159 WeakPolarHBondContact O-CB 3.44Å; Q156-K159 PolarHBondContact O-N 2.95Å; Q156-D160 PolarHBondContact NE2-OD1 3.41Å; Q156-D160 WeakPolarHBondContact O-CB 3.32Å; Q156-D160 PolarHBondContact O-N 2.8Å
157A93.2Very high92.2Very high2 Ų215.5 Ų15.52%0.0179%0.089CC..Hα-helixtrans-59.3-36178.600000111.5I74 E117 S153 Q154 D160 A161I74-A157 HydrophobicContact CD1-CB 4.25Å; I74-A157 HydrophobicContact CG1-CB 3.67Å; E117-A157 HydrophobicContact CG-CB 3.77Å; E117-A157 WeakPolarHBondContact CG-O 3.24Å; S153-A157 VanDerWaalsContact O-CB 3.29Å; S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 3.2Å; Q154-A157 PolarHBondContact O-N 2.95Å; A157-D160 PolarHBondContact O-N 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.23Å; A157-A161 PolarHBondContact O-N 3.31Å
158T96.1Very high92.3Very high1 Ų119.9 Ų19.91%0.00611%0.113CC..Hα-helixtrans-68.7-40.3172.9-53.90000112.2L11 V144 V146 Q154 R155 Q156 D160 A161 G162 I172L11-T158 HydrophobicContact CD2-CG2 4.06Å; V144-T158 HydrophobicContact CG1-CG2 3.96Å; V146-T158 HydrophobicContact CG1-CG2 3.76Å; Q154-T158 WeakPolarHBondContact O-CB 3.45Å; Q154-T158 PolarHBondContact O-N 3Å; Q154-T158 PolarHBondContact O-OG1 3.41Å; R155-T158 PolarHBondContact O-N 3.42Å; Q156-T158 PolarHBondContact O-N 3.18Å; T158-D160 VanDerWaalsContact C-N 3.35Å; T158-A161 WeakPolarHBondContact O-CB 3.45Å; T158-A161 PolarHBondContact O-N 2.81Å; T158-G162 PolarHBondContact O-N 3.32Å; T158-G162 VanDerWaalsContact O-N 3.1Å; T158-I172 HydrophobicContact CG2-CD1 4.44Å
159K95Very high92.7Very high54 Ų5420.4 Ų20.424%0.23512%0.116CC..Hα-helixtrans-63.8-39.9173.9-173.6178.2178.41790112.2R155 Q156 G162 T163 V169 I172 I485R155-K159 PolarHBondContact O-N 3.07Å; Q156-K159 CarbonylContact O-C 3.58Å; Q156-K159 WeakPolarHBondContact O-CA 3.46Å; Q156-K159 WeakPolarHBondContact O-CB 3.44Å; Q156-K159 PolarHBondContact O-N 2.95Å; K159-G162 PolarHBondContact O-N 3.27Å; K159-T163 PolarHBondContact O-N 3.17Å; K159-T163 PolarHBondContact O-OG1 2.98Å; K159-V169 HydrophobicContact CG-CB 4.15Å; K159-V169 HydrophobicContact CG-CG1 4.3Å; K159-V169 HydrophobicContact CG-CG2 4.46Å; K159-I172 HydrophobicContact CB-CD1 4.17Å; K159-I172 HydrophobicContact CB-CG1 4.22Å; K159-I485 HydrophobicContact CD-CD1 3.89Å
160D94.6Very high93.2Very high11 Ų1120.7 Ų20.76%0.05912%0.121CC..Hα-helixtrans-65.7-42.1176.3-64.2-17.9000110.1Q156 A157 T158 G162 T163 I164 I515Q156-D160 PolarHBondContact NE2-OD1 3.41Å; Q156-D160 WeakPolarHBondContact O-CB 3.32Å; Q156-D160 PolarHBondContact O-N 2.8Å; A157-D160 PolarHBondContact O-N 3.26Å; T158-D160 VanDerWaalsContact C-N 3.35Å; D160-G162 VanDerWaalsContact C-N 3.28Å; D160-G162 PolarHBondContact O-N 2.93Å; D160-T163 CarbonylContact O-C 2.94Å; D160-T163 WeakPolarHBondContact O-CA 3.38Å; D160-T163 WeakPolarHBondContact O-CB 3.26Å; D160-T163 PolarHBondContact O-N 2.86Å; D160-I164 VanDerWaalsContact O-CG1 3.28Å; D160-I164 WeakPolarHBondContact O-CG1 3.33Å; D160-I164 PolarHBondContact O-N 3.09Å; D160-I515 HydrophobicContact CB-CD1 4.29Å
161A97.8Very high93.5Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-56.8-4117200000112.3E117 S121 L124 A157 T158 I164 A165E117-A161 HydrophobicContact CB-CB 4.43Å; E117-A161 VanDerWaalsContact O-CB 3.29Å; E117-A161 WeakPolarHBondContact O-CB 3.22Å; S121-A161 WeakPolarHBondContact CB-O 3.49Å; L124-A161 HydrophobicContact CD1-CB 4.05Å; A157-A161 WeakPolarHBondContact O-CB 3.23Å; A157-A161 PolarHBondContact O-N 3.31Å; T158-A161 WeakPolarHBondContact O-CB 3.45Å; T158-A161 PolarHBondContact O-N 2.81Å; A161-I164 PolarHBondContact O-N 2.8Å; A161-A165 PolarHBondContact O-N 2.86Å
162G97.5Very high94.1Very high0 Ų022.1 Ų22.10%012%0.124CC..Hα-helixtrans-63.7-40.7172.900000112.9T158 K159 D160 A165 G166 L167T158-G162 PolarHBondContact O-N 3.32Å; T158-G162 VanDerWaalsContact O-N 3.1Å; K159-G162 PolarHBondContact O-N 3.27Å; D160-G162 VanDerWaalsContact C-N 3.28Å; D160-G162 PolarHBondContact O-N 2.93Å; G162-A165 PolarHBondContact O-N 2.8Å; G162-G166 PolarHBondContact O-N 3.31Å; G162-L167 CarbonylContact C-O 3.53Å; G162-L167 WeakPolarHBondContact O-CB 3.31Å; G162-L167 PolarHBondContact O-N 3.16Å
163T95.4Very high94.7Very high56 Ų5622 Ų2234%0.34412%0.123SC..Hα-helixtrans-62.2-45.1175.7-54.10000111.2K159 D160 A165 G166 I515K159-T163 PolarHBondContact O-N 3.17Å; K159-T163 PolarHBondContact O-OG1 2.98Å; D160-T163 CarbonylContact O-C 2.94Å; D160-T163 WeakPolarHBondContact O-CA 3.38Å; D160-T163 WeakPolarHBondContact O-CB 3.26Å; D160-T163 PolarHBondContact O-N 2.86Å; T163-A165 VanDerWaalsContact C-N 3.26Å; T163-A165 PolarHBondContact O-N 3.38Å; T163-G166 PolarHBondContact O-N 3.37Å; T163-I515 HydrophobicContact CG2-CG2 3.9Å
164I96.3Very high95.2Very high5 Ų521.2 Ų21.23%0.02612%0.118CC..Hα-helixtrans-61.5-34.3176.4-63.3162.3000111.2E117 S121 D160 A161 G166 L510 I515 M518 A522E117-I164 HydrophobicContact CB-CD1 4.23Å; S121-I164 VanDerWaalsContact OG-CG2 3.24Å; S121-I164 WeakPolarHBondContact OG-CG2 3.34Å; D160-I164 VanDerWaalsContact O-CG1 3.28Å; D160-I164 WeakPolarHBondContact O-CG1 3.33Å; D160-I164 PolarHBondContact O-N 3.09Å; A161-I164 PolarHBondContact O-N 2.8Å; I164-G166 PolarHBondContact O-N 2.89Å; I164-L510 HydrophobicContact CD1-CD1 4.15Å; I164-I515 HydrophobicContact CG1-CG2 4.42Å; I164-M518 HydrophobicContact CD1-CB 4Å; I164-M518 HydrophobicContact CD1-CG 4.5Å; I164-M518 HydrophobicContact CD1-SD 3.69Å; I164-M518 HydrophobicContact CG1-CB 3.93Å; I164-M518 HydrophobicContact CG2-CB 4.08Å; I164-A522 HydrophobicContact CG2-CB 3.96Å
165A97.1Very high95.5Very high7 Ų721.5 Ų21.56%0.05812%0.119CC..THydrogen-bonded Turntrans-74.12.9174.600000114L124 K128 A161 G162 T163 L167L124-A165 HydrophobicContact CB-CB 3.79Å; K128-A165 PolarHBondContact NZ-O 3.44Å; A161-A165 PolarHBondContact O-N 2.86Å; G162-A165 PolarHBondContact O-N 2.8Å; T163-A165 VanDerWaalsContact C-N 3.26Å; T163-A165 PolarHBondContact O-N 3.38Å; A165-L167 VanDerWaalsContact C-N 3.34Å; A165-L167 HydrophobicContact CB-CD1 4.35Å; A165-L167 HydrophobicContact CB-CG 4.49Å
166G95.1Very high95.7Very high40 Ų4021.1 Ų21.141%0.41212%0.118SC..THydrogen-bonded Turntrans6735.3-176.300000112.6K128 G162 T163 I164K128-G166 PolarHBondContact NZ-O 3.31Å; G162-G166 PolarHBondContact O-N 3.31Å; T163-G166 PolarHBondContact O-N 3.37Å; I164-G166 PolarHBondContact O-N 2.89Å
167L97Very high96Very high5 Ų519.4 Ų19.43%0.02611%0.11CC..  trans-110.1130.4172.5-64.7167.9000109.7I9 L124 K128 V139 A142 G162 A165 V169I9-L167 HydrophobicContact CD1-CD1 3.86Å; L124-L167 HydrophobicContact CB-CD1 4.47Å; K128-L167 HydrophobicContact CB-CD2 4.37Å; K128-L167 HydrophobicContact CD-CD2 3.83Å; K128-L167 HydrophobicContact CD-CG 4.24Å; K128-L167 HydrophobicContact CG-CD2 4.18Å; V139-L167 HydrophobicContact CG1-CD2 4.25Å; A142-L167 HydrophobicContact CB-CB 4.33Å; A142-L167 HydrophobicContact CB-CD1 4.03Å; A142-L167 HydrophobicContact CB-CD2 4.2Å; A142-L167 HydrophobicContact CB-CG 4.43Å; G162-L167 CarbonylContact C-O 3.53Å; G162-L167 WeakPolarHBondContact O-CB 3.31Å; G162-L167 PolarHBondContact O-N 3.16Å; A165-L167 VanDerWaalsContact C-N 3.34Å; A165-L167 HydrophobicContact CB-CD1 4.35Å; A165-L167 HydrophobicContact CB-CG 4.49Å; L167-V169 PolarHBondContact O-N 2.9Å
168N96.6Very high96.2Very high92 Ų9219.3 Ų19.349%0.49211%0.109SC..EExtended strand (participates in β ladder)trans-75.4101.6161.9177.534.9000108.7T140 N141 A142 L170T140-N168 WeakPolarHBondContact O-CB 3.47Å; T140-N168 PolarHBondContact O-N 3.43Å; N141-N168 WeakPolarHBondContact CA-O 3.31Å; N141-N168 PolarHBondContact OD1-ND2 3.4Å; A142-N168 PolarHBondContact N-O 2.93Å; N168-L170 WeakPolarHBondContact ND2-CD2 3.47Å; N168-L170 PolarHBondContact O-N 3.37Å
169V96.8Very high96.2Very high12 Ų1219.3 Ų19.37%0.07311%0.109CC..EExtended strand (participates in β ladder)trans-73.897.6179-1760000109.3A142 V144 K159 L167 R171 I172A142-V169 CarbonylContact O-C 3.55Å; A142-V169 WeakPolarHBondContact O-CA 3.35Å; V144-V169 HydrophobicContact CG2-CG1 4.38Å; V144-V169 HydrophobicContact CG2-CG2 4.42Å; K159-V169 HydrophobicContact CG-CB 4.15Å; K159-V169 HydrophobicContact CG-CG1 4.3Å; K159-V169 HydrophobicContact CG-CG2 4.46Å; L167-V169 PolarHBondContact O-N 2.9Å; V169-R171 VanDerWaalsContact C-N 3.29Å; V169-R171 PolarHBondContact O-N 3.33Å; V169-I172 HydrophobicContact CG1-CD1 3.7Å; V169-I172 HydrophobicContact CG1-CG1 4.16Å
170L95.8Very high96.2Very high51 Ų5116.7 Ų16.727%0.26710%0.098SC..EExtended strand (participates in β ladder)trans-65.4-35.3-179-62.2-179.9000112A6 N141 A142 V143 N168 L380A6-L170 HydrophobicContact CB-CD1 4.05Å; N141-L170 HydrophobicContact CB-CD1 3.88Å; N141-L170 HydrophobicContact CB-CD2 4.32Å; N141-L170 HydrophobicContact CB-CG 4.02Å; A142-L170 PolarHBondContact O-N 3.39Å; V143-L170 HydrophobicContact CG2-CB 4.38Å; N168-L170 WeakPolarHBondContact ND2-CD2 3.47Å; N168-L170 PolarHBondContact O-N 3.37Å; L170-L380 HydrophobicContact CB-CB 4.47Å; L170-L380 HydrophobicContact CB-CD1 3.95Å; L170-L380 HydrophobicContact CD1-CB 4.03Å
171R95.6Very high96.2Very high51 Ų5116.2 Ų16.219%0.19210%0.095CC..EExtended strand (participates in β ladder)trans-156.2139.5-179.7-175.26465.6100.88.7110.4V143 V144 V169 L380 A482 N483V143-R171 WeakPolarHBondContact CA-O 3.41Å; V143-R171 HydrophobicContact CG1-CB 4.21Å; V143-R171 HydrophobicContact CG2-CB 4.05Å; V144-R171 PolarHBondContact N-O 3.31Å; V144-R171 VanDerWaalsContact N-O 3.13Å; V169-R171 VanDerWaalsContact C-N 3.29Å; V169-R171 PolarHBondContact O-N 3.33Å; R171-L380 HydrophobicContact CB-CD1 3.52Å; R171-L380 HydrophobicContact CG-CD1 4.37Å; R171-A482 VanDerWaalsContact CD-O 3.27Å; R171-A482 WeakPolarHBondContact CD-O 3.02Å; R171-A482 PolarHBondContact NH1-O 2.94Å; R171-N483 WeakPolarHBondContact CA-OD1 3.2Å; R171-N483 WeakPolarHBondContact CD-OD1 3.2Å
172I95.9Very high96Very high5 Ų516.8 Ų16.83%0.02610%0.1CC..EExtended strand (participates in β ladder)trans-90.6122.2156.6-64.2-63.1000107.5V144 V146 T158 K159 V169 N483V144-I172 HydrophobicContact CB-CD1 4.17Å; V144-I172 WeakPolarHBondContact O-CA 3.28Å; V146-I172 HydrophobicContact CB-CG2 4.15Å; V146-I172 HydrophobicContact CG1-CG2 3.73Å; V146-I172 HydrophobicContact CG2-CG2 3.32Å; T158-I172 HydrophobicContact CG2-CD1 4.44Å; K159-I172 HydrophobicContact CB-CD1 4.17Å; K159-I172 HydrophobicContact CB-CG1 4.22Å; V169-I172 HydrophobicContact CG1-CD1 3.7Å; V169-I172 HydrophobicContact CG1-CG1 4.16Å; I172-N483 HydrophobicContact CB-CB 4.26Å; I172-N483 PolarHBondContact N-OD1 3.01Å
173I96.4Very high95.8Very high4 Ų417.1 Ų17.12%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-114.9142.1-179.5-168.3168000110.5V143 V144 T145 V146 T177 A178 I181 A373 Q376 L393V143-I173 HydrophobicContact CG1-CB 4.03Å; V143-I173 HydrophobicContact CG1-CG2 3.56Å; V144-I173 PolarHBondContact O-N 3.41Å; V144-I173 VanDerWaalsContact O-N 3.07Å; T145-I173 CarbonylContact C-O 3.43Å; T145-I173 VanDerWaalsContact CA-O 3.26Å; T145-I173 WeakPolarHBondContact CA-O 3.37Å; T145-I173 HydrophobicContact CG2-CG2 3.73Å; V146-I173 PolarHBondContact N-O 3.29Å; I173-T177 HydrophobicContact CD1-CG2 4.37Å; I173-T177 HydrophobicContact CG1-CG2 4.29Å; I173-A178 HydrophobicContact CD1-CB 4.07Å; I173-A178 HydrophobicContact CG1-CB 4.35Å; I173-A178 HydrophobicContact CG2-CB 4.29Å; I173-I181 HydrophobicContact CD1-CD1 3.9Å; I173-A373 HydrophobicContact CG2-CB 4.25Å; I173-Q376 HydrophobicContact CD1-CB 4.07Å; I173-Q376 HydrophobicContact CD1-CG 4.12Å; I173-L393 HydrophobicContact CD1-CD2 4.19Å
174N96.2Very high95.5Very high2 Ų214.7 Ų14.71%0.0119%0.088CC..EExtended strand (participates in β ladder)trans-70.5135.9174.6-67.6-24.1000110.4V146 A148 R155 T177 A178 D395V146-N174 CarbonylContact O-C 3.49Å; V146-N174 VanDerWaalsContact O-CA 3.3Å; V146-N174 WeakPolarHBondContact O-CA 3.5Å; A148-N174 HydrophobicContact CB-CB 4.13Å; R155-N174 VanDerWaalsContact CZ-OD1 3.24Å; R155-N174 PolarHBondContact NH1-OD1 3.27Å; R155-N174 PolarHBondContact NH2-OD1 3Å; N174-T177 WeakPolarHBondContact O-CA 3.46Å; N174-T177 VanDerWaalsContact O-CB 3.31Å; N174-T177 WeakPolarHBondContact O-CB 3.42Å; N174-T177 PolarHBondContact O-N 2.67Å; N174-T177 VanDerWaalsContact O-N 3.1Å; N174-A178 PolarHBondContact O-N 3.16Å; N174-D395 PolarHBondContact ND2-OD1 3.12Å; N174-D395 PolarHBondContact ND2-OD2 2.8Å
175E97.1Very high94.8Very high9 Ų915.8 Ų15.84%0.0429%0.093CC..Hα-helixtrans-51-53.8178.4-75.4165.5-153.600113.5K71 V146 P147 T177 A178 A179 V369K71-E175 IonicContact NZ-OE1 2.74Å; K71-E175 PolarHBondContact NZ-OE1 3.21Å; V146-E175 VanDerWaalsContact C-OE1 3.25Å; V146-E175 WeakPolarHBondContact O-CG 3.37Å; V146-E175 PolarHBondContact O-N 3.36Å; P147-E175 WeakPolarHBondContact CD-OE1 3.46Å; P147-E175 WeakPolarHBondContact CG-OE1 3.41Å; P147-E175 VanDerWaalsContact N-OE1 3.12Å; E175-T177 PolarHBondContact O-N 3.13Å; E175-A178 PolarHBondContact O-N 3.31Å; E175-A179 PolarHBondContact O-N 3.2Å; E175-V369 HydrophobicContact CB-CG1 4.21Å; E175-V369 HydrophobicContact CB-CG2 4.39Å; E175-V369 HydrophobicContact CG-CG1 3.87Å
176P95.8Very high93.8Very high0 Ų021.5 Ų21.50%012%0.123CC..Hα-helixtrans-66.7-27.517925.6-35.7000112.9A148 A180 I197 D206 S208A148-P176 HydrophobicContact CB-CG 3.58Å; P176-A180 WeakPolarHBondContact O-CB 3.46Å; P176-A180 PolarHBondContact O-N 2.92Å; P176-I197 HydrophobicContact CB-CB 3.93Å; P176-I197 HydrophobicContact CB-CG2 3.69Å; P176-D206 HydrophobicContact CG-CB 4.15Å; P176-S208 WeakPolarHBondContact CG-OG 3.42Å
177T95.6Very high92.7Very high1 Ų123.1 Ų23.11%0.00612%0.118CC..Hα-helixtrans-67.9-45.1173.8-61.10000111.1I173 N174 E175 A179 A180 I181 L393 D395I173-T177 HydrophobicContact CD1-CG2 4.37Å; I173-T177 HydrophobicContact CG1-CG2 4.29Å; N174-T177 WeakPolarHBondContact O-CA 3.46Å; N174-T177 VanDerWaalsContact O-CB 3.31Å; N174-T177 WeakPolarHBondContact O-CB 3.42Å; N174-T177 PolarHBondContact O-N 2.67Å; N174-T177 VanDerWaalsContact O-N 3.1Å; E175-T177 PolarHBondContact O-N 3.13Å; T177-A179 VanDerWaalsContact C-N 3.35Å; T177-A180 WeakPolarHBondContact O-CB 3.43Å; T177-A180 PolarHBondContact O-N 3.29Å; T177-I181 WeakPolarHBondContact O-CG1 3.29Å; T177-I181 PolarHBondContact O-N 3.36Å; T177-I181 VanDerWaalsContact O-N 3.08Å; T177-L393 HydrophobicContact CG2-CD1 3.15Å; T177-L393 HydrophobicContact CG2-CD2 3.59Å; T177-L393 HydrophobicContact CG2-CG 3.94Å; T177-D395 PolarHBondContact OG1-OD2 3.37Å
178A97Very high91.1Very high0 Ų033.1 Ų33.10%016%0.162CC..Hα-helixtrans-62.5-43.1174.700000111.3I173 N174 E175 A180 I181 A182 V369 G372I173-A178 HydrophobicContact CD1-CB 4.07Å; I173-A178 HydrophobicContact CG1-CB 4.35Å; I173-A178 HydrophobicContact CG2-CB 4.29Å; N174-A178 PolarHBondContact O-N 3.16Å; E175-A178 PolarHBondContact O-N 3.31Å; A178-A180 VanDerWaalsContact C-N 3.3Å; A178-A180 PolarHBondContact O-N 3.45Å; A178-I181 WeakPolarHBondContact O-CB 3.5Å; A178-I181 PolarHBondContact O-N 2.79Å; A178-I181 VanDerWaalsContact O-N 3.17Å; A178-A182 PolarHBondContact O-N 2.95Å; A178-V369 HydrophobicContact CB-CG1 4.37Å; A178-V369 WeakPolarHBondContact CB-O 3.34Å; A178-G372 VanDerWaalsContact O-CA 3.28Å; A178-G372 WeakPolarHBondContact O-CA 3.5Å
179A96.6Very high89.4Confident0 Ų030 Ų300%015%0.146CC..Hα-helixtrans-58.2-40.1172.800000113.3E175 T177 I181 A182 Y183 I197 V337E175-A179 PolarHBondContact O-N 3.2Å; T177-A179 VanDerWaalsContact C-N 3.35Å; A179-I181 VanDerWaalsContact C-N 3.34Å; A179-A182 PolarHBondContact O-N 3.25Å; A179-Y183 WeakPolarHBondContact O-CB 3.44Å; A179-Y183 PolarHBondContact O-N 3.38Å; A179-I197 HydrophobicContact CB-CG2 3.98Å; A179-V337 HydrophobicContact CB-CB 4.36Å; A179-V337 HydrophobicContact CB-CG1 4.21Å; A179-V337 HydrophobicContact CB-CG2 3.58Å
180A95Very high88Confident0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-63.8-39.4176.300000111.9P176 T177 A178 Y183 G184 I197 L210 F217P176-A180 WeakPolarHBondContact O-CB 3.46Å; P176-A180 PolarHBondContact O-N 2.92Å; T177-A180 WeakPolarHBondContact O-CB 3.43Å; T177-A180 PolarHBondContact O-N 3.29Å; A178-A180 VanDerWaalsContact C-N 3.3Å; A178-A180 PolarHBondContact O-N 3.45Å; A180-Y183 WeakPolarHBondContact O-CB 3.49Å; A180-Y183 PolarHBondContact O-N 3.37Å; A180-G184 PolarHBondContact O-N 3.01Å; A180-I197 HydrophobicContact CB-CD1 4.06Å; A180-I197 HydrophobicContact CB-CG1 4.11Å; A180-L210 HydrophobicContact CB-CD1 4.02Å; A180-L210 HydrophobicContact CB-CD2 3.56Å; A180-L210 HydrophobicContact CB-CG 4.36Å; A180-F217 HydrophobicContact CB-CD1 4.37Å; A180-F217 VanDerWaalsContact O-CE1 3.32Å; A180-F217 WeakPolarHBondContact O-CE1 3.32Å
181I94.1Very high87.3Confident0 Ų033.7 Ų33.70%019%0.193CC..Hα-helixtrans-59.1-48.9172.8-66.7168.8000110.2I173 T177 A178 A179 Y183 G184 L185 V375 L391I173-I181 HydrophobicContact CD1-CD1 3.9Å; T177-I181 WeakPolarHBondContact O-CG1 3.29Å; T177-I181 PolarHBondContact O-N 3.36Å; T177-I181 VanDerWaalsContact O-N 3.08Å; A178-I181 WeakPolarHBondContact O-CB 3.5Å; A178-I181 PolarHBondContact O-N 2.79Å; A178-I181 VanDerWaalsContact O-N 3.17Å; A179-I181 VanDerWaalsContact C-N 3.34Å; I181-Y183 PolarHBondContact O-N 2.71Å; I181-G184 PolarHBondContact O-N 2.98Å; I181-L185 WeakPolarHBondContact O-CB 3.44Å; I181-L185 PolarHBondContact O-N 2.7Å; I181-V375 HydrophobicContact CG2-CB 3.78Å; I181-V375 HydrophobicContact CG2-CG1 3.7Å; I181-V375 HydrophobicContact CG2-CG2 4.1Å; I181-L391 HydrophobicContact CD1-CD2 4.45Å; I181-L391 HydrophobicContact CG1-CD1 4.33Å; I181-L391 HydrophobicContact CG2-CD1 3.82Å
182A93.8Very high87.1Confident12 Ų1235.9 Ų35.910%0.09921%0.206CC..Hα-helixtrans-60.8-33.7178.100000112.9A178 A179 A368 Y371A178-A182 PolarHBondContact O-N 2.95Å; A179-A182 PolarHBondContact O-N 3.25Å; A182-A368 HydrophobicContact CB-CB 4.15Å; A182-A368 VanDerWaalsContact CB-O 3.3Å; A182-A368 WeakPolarHBondContact CB-O 3.19Å; A182-Y371 HydrophobicContact CB-CD1 3.55Å; A182-Y371 HydrophobicContact CB-CE1 4.34Å; A182-Y371 HydrophobicContact CB-CG 3.97Å
183Y92.6Very high87Confident7 Ų739.5 Ų39.53%0.02722%0.219CC..Hα-helixtrans-72.1-41.1174.6167.2-97000113.5A179 A180 I181 K187 V195 I212 D333 V335A179-Y183 WeakPolarHBondContact O-CB 3.44Å; A179-Y183 PolarHBondContact O-N 3.38Å; A180-Y183 WeakPolarHBondContact O-CB 3.49Å; A180-Y183 PolarHBondContact O-N 3.37Å; I181-Y183 PolarHBondContact O-N 2.71Å; Y183-K187 HydrophobicContact CE1-CD 4.03Å; Y183-K187 HydrophobicContact CE2-CD 4.02Å; Y183-K187 PolarHBondContact OH-NZ 2.8Å; Y183-V195 HydrophobicContact CD1-CG1 4.27Å; Y183-V195 HydrophobicContact CD1-CG2 4.46Å; Y183-V195 HydrophobicContact CE1-CG1 4.09Å; Y183-V195 HydrophobicContact CE1-CG2 3.75Å; Y183-I212 HydrophobicContact CD1-CD1 3.9Å; Y183-I212 HydrophobicContact CE1-CD1 4.1Å; Y183-D333 WeakPolarHBondContact OH-CB 3.29Å; Y183-D333 PolarHBondContact OH-OD1 3.33Å; Y183-D333 PolarHBondContact OH-OD2 3.35Å; Y183-V335 HydrophobicContact CD1-CG2 4.38Å; Y183-V335 HydrophobicContact CD2-CG1 4.45Å; Y183-V335 HydrophobicContact CD2-CG2 3.52Å; Y183-V335 HydrophobicContact CE2-CG2 3.73Å; Y183-V335 HydrophobicContact CG-CG2 3.86Å
184G88.8Confident87Confident6 Ų640 Ų406%0.06222%0.222CC..Hα-helixtrans-89.9-21.5-169.500000115A180 I181 D186 K187A180-G184 PolarHBondContact O-N 3.01Å; I181-G184 PolarHBondContact O-N 2.98Å; G184-D186 PolarHBondContact O-N 2.71Å; G184-K187 PolarHBondContact O-N 2.83Å; G184-K187 VanDerWaalsContact O-N 3.1Å
185L82.8Confident87Confident28 Ų2840 Ų4015%0.14722%0.221CC..THydrogen-bonded Turntrans-55.6-47.1-171.8-167.671.7000113.5I181 Y371 V375 N387 V388 L391I181-L185 WeakPolarHBondContact O-CB 3.44Å; I181-L185 PolarHBondContact O-N 2.7Å; L185-Y371 HydrophobicContact CD2-CE1 3.89Å; L185-V375 HydrophobicContact CD1-CG1 4.23Å; L185-V375 HydrophobicContact CD2-CG2 3.91Å; L185-N387 WeakPolarHBondContact CD1-O 3.29Å; L185-V388 HydrophobicContact CD1-CG1 4.27Å; L185-L391 HydrophobicContact CD1-CD1 4.33Å
186D74.4Confident87.1Confident126 Ų12639.5 Ų39.567%0.67422%0.219SC*.THydrogen-bonded Turntrans-89-3-177.4-67-34.4000113.1G184 K188G184-D186 PolarHBondContact O-N 2.71Å; D186-K188 PolarHBondContact O-N 3.21Å
187K72.3Confident87.2Confident74 Ų7439.5 Ų39.532%0.32222%0.219SC..  trans-92108.2-178.5-67-164.6175.2-155.80109.7Y183 G184 V189Y183-K187 HydrophobicContact CE1-CD 4.03Å; Y183-K187 HydrophobicContact CE2-CD 4.02Å; Y183-K187 PolarHBondContact OH-NZ 2.8Å; G184-K187 PolarHBondContact O-N 2.83Å; G184-K187 VanDerWaalsContact O-N 3.1Å; K187-V189 HydrophobicContact CB-CG2 3.75Å; K187-V189 VanDerWaalsContact O-CG2 3.31Å; K187-V189 WeakPolarHBondContact O-CG2 3.31Å; K187-V189 PolarHBondContact O-N 3.5Å
188K63.9Low87.3Confident215 Ų21539.5 Ų39.594%0.93522%0.219SC*.  trans-69.581.8162.4-65.9-171179.6-173.60108.9D186 G190D186-K188 PolarHBondContact O-N 3.21Å; K188-G190 PolarHBondContact O-N 2.69Å
189V61.7Low87.4Confident26 Ų2639.7 Ų39.716%0.15822%0.22CC..  trans-83.5102.3178.5-148.40000108.2K187 A191 R193 I212K187-V189 HydrophobicContact CB-CG2 3.75Å; K187-V189 VanDerWaalsContact O-CG2 3.31Å; K187-V189 WeakPolarHBondContact O-CG2 3.31Å; K187-V189 PolarHBondContact O-N 3.5Å; V189-A191 WeakPolarHBondContact CG1-O 3.45Å; V189-A191 PolarHBondContact O-N 3.5Å; V189-R193 HydrophobicContact CG1-CB 4.29Å; V189-R193 HydrophobicContact CG1-CG 3.54Å; V189-I212 HydrophobicContact CG2-CG2 4.47Å
190G66.2Low87.5Confident79 Ų7939.7 Ų39.781%0.81422%0.22SC*.  trans-78.93.8178.200000114.9K188K188-G190 PolarHBondContact O-N 2.69Å
191A81.6Confident87.6Confident63 Ų6340.3 Ų40.352%0.52123%0.226SC..SBendtrans-148.3148.4177.900000109.8V189 R193V189-A191 WeakPolarHBondContact CG1-O 3.45Å; V189-A191 PolarHBondContact O-N 3.5Å; A191-R193 PolarHBondContact O-N 3.34Å
192E90.4Very high87.6Confident97 Ų9740.9 Ų40.945%0.45323%0.232SC..  trans-49.1128.2175.1-171.3-171.9-17300111.9T211 E213E192-T211 HydrophobicContact CG-CG2 3.33Å; E192-T211 WeakPolarHBondContact OE1-CG2 3.22Å; E192-E213 HydrophobicContact CB-CB 4.43Å; E192-E213 HydrophobicContact CB-CG 4.44Å; E192-E213 HydrophobicContact CG-CB 4.5Å
193R94Very high87.7Confident81 Ų8140.3 Ų40.331%0.30623%0.228SC..EExtended strand (participates in β ladder)trans-127.2125175.7-70.8-177.884.593.9-5.9112V189 A191 V195 T211 I212 H332 D333V189-R193 HydrophobicContact CG1-CB 4.29Å; V189-R193 HydrophobicContact CG1-CG 3.54Å; A191-R193 PolarHBondContact O-N 3.34Å; R193-V195 HydrophobicContact CB-CG2 4.41Å; R193-T211 WeakPolarHBondContact O-CA 3.31Å; R193-I212 PolarHBondContact N-O 2.76Å; R193-I212 PolarHBondContact O-N 2.71Å; R193-H332 HydrophobicContact CB-CB 4.3Å; R193-H332 HydrophobicContact CG-CB 4.4Å; R193-D333 IonicContact CZ-OD2 2.76Å; R193-D333 IonicContact NE-OD2 3.91Å; R193-D333 PolarHBondContact NE-OD2 2.87Å; R193-D333 IonicContact NH2-OD1 3.99Å; R193-D333 PolarHBondContact NH2-OD1 2.74Å; R193-D333 IonicContact NH2-OD2 3.81Å; R193-D333 PolarHBondContact NH2-OD2 3.48Å
194N96.9Very high87.8Confident15 Ų1540.3 Ų40.38%0.0823%0.228CC..EExtended strand (participates in β ladder)trans-81.4121.9165.9-55.7-44.7000110.6L210 T211 L326 Q330 I331 H332N194-L210 CarbonylContact C-O 3.57Å; N194-L210 VanDerWaalsContact CA-O 3.29Å; N194-L210 WeakPolarHBondContact CA-O 3.41Å; N194-T211 PolarHBondContact OD1-OG1 3.13Å; N194-L326 HydrophobicContact CB-CD1 4.12Å; N194-Q330 WeakPolarHBondContact CB-O 3.38Å; N194-Q330 PolarHBondContact ND2-O 2.7Å; N194-I331 HydrophobicContact CB-CD1 4.34Å; N194-H332 PolarHBondContact N-ND1 3.37Å; N194-H332 WeakPolarHBondContact O-CB 3.29Å; N194-H332 PolarHBondContact O-N 2.89Å
195V97.1Very high88.2Confident0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-120.4132.1-177.8-177.70000108.9Y183 R193 I197 I209 L210 I212 D333 V335Y183-V195 HydrophobicContact CD1-CG1 4.27Å; Y183-V195 HydrophobicContact CD1-CG2 4.46Å; Y183-V195 HydrophobicContact CE1-CG1 4.09Å; Y183-V195 HydrophobicContact CE1-CG2 3.75Å; R193-V195 HydrophobicContact CB-CG2 4.41Å; V195-I197 HydrophobicContact CG1-CD1 3.81Å; V195-I209 WeakPolarHBondContact O-CA 3.41Å; V195-L210 PolarHBondContact N-O 3.26Å; V195-L210 PolarHBondContact O-N 3.23Å; V195-I212 HydrophobicContact CB-CD1 4.3Å; V195-I212 HydrophobicContact CG2-CD1 3.83Å; V195-I212 HydrophobicContact CG2-CG1 4.31Å; V195-D333 WeakPolarHBondContact CA-O 3.31Å; V195-D333 HydrophobicContact CG1-CB 4.21Å; V195-D333 HydrophobicContact CG2-CB 4.3Å; V195-V335 HydrophobicContact CG1-CG2 3.65Å
196L98.4Very high88.8Confident0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-100.3120.6171.2-172.2159.6000109F198 V207 S208 I209 V317 I331 D333 I334 V335 F354L196-F198 HydrophobicContact CD2-CB 3.91Å; L196-V207 HydrophobicContact CD1-CG1 4.18Å; L196-V207 HydrophobicContact CD2-CG1 3.84Å; L196-V207 HydrophobicContact CG-CG1 3.95Å; L196-S208 CarbonylContact C-O 3.6Å; L196-S208 WeakPolarHBondContact CA-O 3.48Å; L196-I209 HydrophobicContact CB-CG1 4.41Å; L196-I209 HydrophobicContact CD1-CG1 4.26Å; L196-I209 HydrophobicContact CG-CG1 4.17Å; L196-V317 HydrophobicContact CD1-CG1 4.05Å; L196-I331 HydrophobicContact CB-CG2 3.83Å; L196-D333 PolarHBondContact N-O 3.33Å; L196-I334 HydrophobicContact CD2-CG2 4.31Å; L196-I334 CarbonylContact O-C 3.53Å; L196-I334 WeakPolarHBondContact O-CA 3.39Å; L196-V335 PolarHBondContact O-N 2.91Å; L196-F354 HydrophobicContact CD1-CE1 4.47Å; L196-F354 HydrophobicContact CD1-CE2 3.94Å; L196-F354 HydrophobicContact CD1-CZ 3.47Å; L196-F354 VanDerWaalsContact CD1-CZ 3.47Å
197I98.3Very high89.9Confident0 Ų032.7 Ų32.70%019%0.186CC..EExtended strand (participates in β ladder)trans-94.2119.3170.9-49.7-59.4000107.9P176 A179 A180 V195 V207 S208 L210 V335 V337P176-I197 HydrophobicContact CB-CB 3.93Å; P176-I197 HydrophobicContact CB-CG2 3.69Å; A179-I197 HydrophobicContact CB-CG2 3.98Å; A180-I197 HydrophobicContact CB-CD1 4.06Å; A180-I197 HydrophobicContact CB-CG1 4.11Å; V195-I197 HydrophobicContact CG1-CD1 3.81Å; I197-V207 WeakPolarHBondContact O-CA 3.43Å; I197-S208 PolarHBondContact N-O 3Å; I197-S208 PolarHBondContact O-N 3.24Å; I197-L210 HydrophobicContact CG1-CD1 3.54Å; I197-V335 HydrophobicContact CD1-CB 3.7Å; I197-V335 HydrophobicContact CD1-CG1 4.16Å; I197-V335 HydrophobicContact CD1-CG2 4.02Å; I197-V337 HydrophobicContact CG2-CG2 4.19Å
198F98.4Very high91.1Very high0 Ų029.2 Ų29.20%017%0.171CC..EExtended strand (participates in β ladder)trans-108.9101.9175.5-174.4-79.4000107.6L196 L200 F205 V207 T313 V317 V335 L336 V337 T341 I346 L350L196-F198 HydrophobicContact CD2-CB 3.91Å; F198-L200 HydrophobicContact CD1-CB 4.42Å; F198-L200 HydrophobicContact CE1-CB 3.87Å; F198-L200 HydrophobicContact CE1-CD2 4.39Å; F198-F205 HydrophobicContact CD1-CE2 4.06Å; F198-F205 AromaticContact CD2-CE2 3.84Å; F198-F205 HydrophobicContact CD2-CE2 3.84Å; F198-F205 AromaticContact CD2-CZ 3.96Å; F198-F205 HydrophobicContact CD2-CZ 3.96Å; F198-F205 HydrophobicContact CE1-CD2 4.46Å; F198-F205 AromaticContact CE1-CE2 3.66Å; F198-F205 HydrophobicContact CE1-CE2 3.66Å; F198-F205 HydrophobicContact CE1-CZ 4.38Å; F198-F205 AromaticContact CE2-CE2 3.45Å; F198-F205 HydrophobicContact CE2-CE2 3.45Å; F198-F205 VanDerWaalsContact CE2-CE2 3.45Å; F198-F205 AromaticContact CE2-CZ 3.37Å; F198-F205 HydrophobicContact CE2-CZ 3.37Å; F198-F205 HydrophobicContact CG-CE2 4.14Å; F198-F205 HydrophobicContact CZ-CD2 4.38Å; F198-F205 AromaticContact CZ-CE2 3.35Å; F198-F205 HydrophobicContact CZ-CE2 3.35Å; F198-F205 AromaticContact CZ-CZ 3.61Å; F198-F205 HydrophobicContact CZ-CZ 3.61Å; F198-V207 HydrophobicContact CD2-CG2 4.18Å; F198-T313 HydrophobicContact CZ-CG2 4.49Å; F198-V317 HydrophobicContact CD2-CG2 3.84Å; F198-V317 HydrophobicContact CE2-CG2 3.8Å; F198-V335 PolarHBondContact N-O 3.45Å; F198-L336 HydrophobicContact CB-CD2 4.21Å; F198-L336 HydrophobicContact CD1-CD2 4.23Å; F198-L336 HydrophobicContact CG-CD2 4.48Å; F198-V337 PolarHBondContact O-N 3.48Å; F198-T341 HydrophobicContact CD1-CG2 3.8Å; F198-T341 HydrophobicContact CE1-CG2 4.1Å; F198-I346 HydrophobicContact CE1-CG2 3.62Å; F198-I346 HydrophobicContact CZ-CG2 3.89Å; F198-L350 HydrophobicContact CB-CD2 3.95Å; F198-L350 HydrophobicContact CD1-CD2 4.25Å; F198-L350 HydrophobicContact CD2-CD1 3.8Å; F198-L350 HydrophobicContact CD2-CD2 3.7Å; F198-L350 HydrophobicContact CD2-CG 4.39Å; F198-L350 HydrophobicContact CE2-CD1 4Å; F198-L350 HydrophobicContact CE2-CD2 4.22Å; F198-L350 HydrophobicContact CG-CD2 3.71Å
199D98Very high92.8Very high5 Ų519 Ų193%0.02713%0.127CC..EExtended strand (participates in β ladder)trans-108.2104.5-176.4-169.2-8.1000110.6F205 D206 V337D199-F205 CarbonylContact O-C 3.57Å; D199-F205 WeakPolarHBondContact O-CA 3.45Å; D199-F205 VanDerWaalsContact O-CD2 3.26Å; D199-F205 WeakPolarHBondContact O-CD2 3.47Å; D199-D206 HydrophobicContact CB-CB 4.42Å; D199-D206 PolarHBondContact N-O 2.98Å; D199-D206 PolarHBondContact O-N 3.5Å; D199-V337 WeakPolarHBondContact CA-O 3.35Å; D199-V337 HydrophobicContact CB-CB 4.12Å; D199-V337 HydrophobicContact CB-CG1 4.41Å
200L98.3Very high94.4Very high0 Ų017.8 Ų17.80%012%0.119CC..EExtended strand (participates in β ladder)trans-11897.9176.8-173.966.7000109.3F198 F205 L228 F233 T313 V337 G338 S340 T341 I346F198-L200 HydrophobicContact CD1-CB 4.42Å; F198-L200 HydrophobicContact CE1-CB 3.87Å; F198-L200 HydrophobicContact CE1-CD2 4.39Å; L200-F205 HydrophobicContact CB-CD2 3.93Å; L200-F205 HydrophobicContact CB-CE2 4.44Å; L200-F205 HydrophobicContact CD1-CB 3.64Å; L200-F205 HydrophobicContact CD1-CD2 3.59Å; L200-F205 HydrophobicContact CD1-CG 3.78Å; L200-F205 HydrophobicContact CG-CD2 4.31Å; L200-L228 HydrophobicContact CD1-CG 4.48Å; L200-F233 HydrophobicContact CD2-CE2 4.19Å; L200-F233 HydrophobicContact CD2-CZ 4.2Å; L200-T313 HydrophobicContact CD2-CG2 4.42Å; L200-V337 PolarHBondContact N-O 2.89Å; L200-G338 CarbonylContact O-C 3.5Å; L200-G338 VanDerWaalsContact O-C 3.27Å; L200-G338 WeakPolarHBondContact O-CA 3.36Å; L200-S340 VanDerWaalsContact O-CB 3.23Å; L200-S340 WeakPolarHBondContact O-CB 3.45Å; L200-S340 PolarHBondContact O-N 3.27Å; L200-S340 VanDerWaalsContact O-N 3.12Å; L200-T341 HydrophobicContact CB-CG2 3.88Å; L200-I346 HydrophobicContact CD2-CD1 4Å; L200-I346 HydrophobicContact CD2-CG1 4.05Å; L200-I346 HydrophobicContact CD2-CG2 4.21Å
201G96.9Very high95.8Very high12 Ų1214.2 Ų14.212%0.1248%0.082CC..  trans-89-155.7-175.700000114.3T204 G230 S340G201-T204 PolarHBondContact N-O 3.49Å; G201-G230 PolarHBondContact O-N 3.06Å; G201-S340 PolarHBondContact O-OG 2.98Å
202G95.8Very high96.3Very high13 Ų1311.4 Ų11.413%0.1346%0.058CC..SBendtrans-75.7-28.7175.800000113.6G229 G230 E231G202-G229 CarbonylContact O-C 3.54Å; G202-G230 PolarHBondContact O-N 2.85Å; G202-E231 PolarHBondContact O-N 3.38Å
203G94.2Very high96.3Very high0 Ų010.9 Ų10.90%06%0.056CC..SBendtrans-143.8-7.5-175.500000116.8R72 L228R72-G203 PolarHBondContact NE-O 3.23Å; R72-G203 VanDerWaalsContact NH2-CA 3.31Å; R72-G203 PolarHBondContact NH2-O 3.48Å; G203-L228 CarbonylContact C-O 3.59Å; G203-L228 PolarHBondContact O-N 2.88Å
204T94.6Very high95.9Very high6 Ų612.8 Ų12.84%0.0377%0.072CC..  trans-133.9152-177.453.30000110.4P147 G201 L228P147-T204 HydrophobicContact CB-CG2 4.4Å; P147-T204 HydrophobicContact CG-CG2 3.81Å; G201-T204 PolarHBondContact N-O 3.49Å; T204-L228 CarbonylContact C-O 3.59Å; T204-L228 VanDerWaalsContact CA-O 3.23Å; T204-L228 WeakPolarHBondContact CA-O 3.43Å; T204-L228 PolarHBondContact N-O 2.95Å
205F96.9Very high95.2Very high0 Ų013.4 Ų13.40%08%0.082CC..EExtended strand (participates in β ladder)trans-129.7121.9176.4176.1-130.3000109.6F198 D199 L200 V207 G224 D225 L228 T313 P316F198-F205 HydrophobicContact CD1-CE2 4.06Å; F198-F205 AromaticContact CD2-CE2 3.84Å; F198-F205 HydrophobicContact CD2-CE2 3.84Å; F198-F205 AromaticContact CD2-CZ 3.96Å; F198-F205 HydrophobicContact CD2-CZ 3.96Å; F198-F205 HydrophobicContact CE1-CD2 4.46Å; F198-F205 AromaticContact CE1-CE2 3.66Å; F198-F205 HydrophobicContact CE1-CE2 3.66Å; F198-F205 HydrophobicContact CE1-CZ 4.38Å; F198-F205 AromaticContact CE2-CE2 3.45Å; F198-F205 HydrophobicContact CE2-CE2 3.45Å; F198-F205 VanDerWaalsContact CE2-CE2 3.45Å; F198-F205 AromaticContact CE2-CZ 3.37Å; F198-F205 HydrophobicContact CE2-CZ 3.37Å; F198-F205 HydrophobicContact CG-CE2 4.14Å; F198-F205 HydrophobicContact CZ-CD2 4.38Å; F198-F205 AromaticContact CZ-CE2 3.35Å; F198-F205 HydrophobicContact CZ-CE2 3.35Å; F198-F205 AromaticContact CZ-CZ 3.61Å; F198-F205 HydrophobicContact CZ-CZ 3.61Å; D199-F205 CarbonylContact O-C 3.57Å; D199-F205 WeakPolarHBondContact O-CA 3.45Å; D199-F205 VanDerWaalsContact O-CD2 3.26Å; D199-F205 WeakPolarHBondContact O-CD2 3.47Å; L200-F205 HydrophobicContact CB-CD2 3.93Å; L200-F205 HydrophobicContact CB-CE2 4.44Å; L200-F205 HydrophobicContact CD1-CB 3.64Å; L200-F205 HydrophobicContact CD1-CD2 3.59Å; L200-F205 HydrophobicContact CD1-CG 3.78Å; L200-F205 HydrophobicContact CG-CD2 4.31Å; F205-V207 HydrophobicContact CE1-CG2 3.98Å; F205-V207 HydrophobicContact CE2-CG2 3.75Å; F205-V207 HydrophobicContact CZ-CG2 3.3Å; F205-G224 CarbonylContact O-C 3.25Å; F205-G224 WeakPolarHBondContact O-CA 3.44Å; F205-D225 PolarHBondContact N-O 2.9Å; F205-D225 PolarHBondContact O-N 2.88Å; F205-L228 HydrophobicContact CB-CB 4.17Å; F205-L228 HydrophobicContact CB-CD2 4.27Å; F205-L228 HydrophobicContact CB-CG 4.36Å; F205-L228 HydrophobicContact CD1-CD2 4.08Å; F205-L228 HydrophobicContact CG-CD2 4.41Å; F205-L228 PolarHBondContact N-O 3.42Å; F205-T313 HydrophobicContact CD1-CG2 4.49Å; F205-T313 HydrophobicContact CE1-CG2 4.31Å; F205-T313 WeakPolarHBondContact CE1-O 3.38Å; F205-T313 HydrophobicContact CZ-CG2 4.45Å; F205-T313 WeakPolarHBondContact CZ-O 3.45Å; F205-P316 HydrophobicContact CD1-CB 4.41Å; F205-P316 HydrophobicContact CD1-CG 3.97Å; F205-P316 HydrophobicContact CE1-CB 3.77Å; F205-P316 HydrophobicContact CE1-CG 3.58Å
206D96.2Very high94.9Very high1 Ų116.6 Ų16.61%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-126.6145.1175.3-70.3-59.9000111P147 A148 Y149 P176 D199P147-D206 WeakPolarHBondContact CA-OD2 3.26Å; P147-D206 WeakPolarHBondContact CB-OD2 3.28Å; A148-D206 HydrophobicContact CB-CB 4.39Å; A148-D206 PolarHBondContact N-OD1 3.13Å; A148-D206 PolarHBondContact N-OD2 3.24Å; Y149-D206 PolarHBondContact N-OD1 2.91Å; Y149-D206 VanDerWaalsContact N-OD1 3.1Å; P176-D206 HydrophobicContact CG-CB 4.15Å; D199-D206 HydrophobicContact CB-CB 4.42Å; D199-D206 PolarHBondContact N-O 2.98Å; D199-D206 PolarHBondContact O-N 3.5Å
207V97.6Very high94.7Very high0 Ų016.8 Ų16.80%010%0.099CC..EExtended strand (participates in β ladder)trans-127.7124.1169.3-176.60000108.1L196 I197 F198 F205 T222 A223 P316 V317 A320L196-V207 HydrophobicContact CD1-CG1 4.18Å; L196-V207 HydrophobicContact CD2-CG1 3.84Å; L196-V207 HydrophobicContact CG-CG1 3.95Å; I197-V207 WeakPolarHBondContact O-CA 3.43Å; F198-V207 HydrophobicContact CD2-CG2 4.18Å; F205-V207 HydrophobicContact CE1-CG2 3.98Å; F205-V207 HydrophobicContact CE2-CG2 3.75Å; F205-V207 HydrophobicContact CZ-CG2 3.3Å; V207-T222 WeakPolarHBondContact O-CA 3.3Å; V207-T222 PolarHBondContact O-OG1 2.87Å; V207-A223 PolarHBondContact N-O 3.46Å; V207-A223 PolarHBondContact O-N 3.38Å; V207-A223 VanDerWaalsContact O-O 3.08Å; V207-P316 HydrophobicContact CG2-CB 4.11Å; V207-V317 HydrophobicContact CG1-CG2 4.28Å; V207-V317 HydrophobicContact CG2-CG2 3.78Å; V207-A320 HydrophobicContact CG1-CB 3.97Å
208S97.9Very high94.6Very high1 Ų119.5 Ų19.51%0.00711%0.112CC..EExtended strand (participates in β ladder)trans-127.5141.4172.6-61.50000110.5P176 L196 I197 S221 T222P176-S208 WeakPolarHBondContact CG-OG 3.42Å; L196-S208 CarbonylContact C-O 3.6Å; L196-S208 WeakPolarHBondContact CA-O 3.48Å; I197-S208 PolarHBondContact N-O 3Å; I197-S208 PolarHBondContact O-N 3.24Å; S208-S221 WeakPolarHBondContact CA-O 3.38Å; S208-T222 PolarHBondContact OG-OG1 2.86Å; S208-T222 VanDerWaalsContact OG-OG1 3.05Å
209I98.3Very high94.5Very high0 Ų019.6 Ų19.60%011%0.112CC..EExtended strand (participates in β ladder)trans-109.5123.9171.2-60.7172.6000107.1V195 L196 K220 S221 A320 L321 A324 L326 I331V195-I209 WeakPolarHBondContact O-CA 3.41Å; L196-I209 HydrophobicContact CB-CG1 4.41Å; L196-I209 HydrophobicContact CD1-CG1 4.26Å; L196-I209 HydrophobicContact CG-CG1 4.17Å; I209-K220 PolarHBondContact O-N 3.4Å; I209-S221 PolarHBondContact N-O 3.31Å; I209-S221 PolarHBondContact O-N 3.41Å; I209-A320 VanDerWaalsContact CD1-C 3.5Å; I209-A320 HydrophobicContact CD1-CB 3.9Å; I209-A320 HydrophobicContact CG1-CB 4.15Å; I209-L321 HydrophobicContact CD1-CB 4.4Å; I209-L321 HydrophobicContact CD1-CD2 3.75Å; I209-L321 HydrophobicContact CD1-CG 3.97Å; I209-A324 HydrophobicContact CB-CB 4.34Å; I209-A324 HydrophobicContact CD1-CB 4.01Å; I209-A324 HydrophobicContact CG2-CB 4.29Å; I209-L326 HydrophobicContact CG2-CD1 3.9Å; I209-I331 HydrophobicContact CD1-CD1 4.22Å; I209-I331 HydrophobicContact CG1-CD1 4.46Å; I209-I331 HydrophobicContact CG2-CD1 3.95Å
210L96.8Very high94.4Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans-121.2148.4-179.7-59.192.2000110.2A180 N194 V195 I197 E218 V219A180-L210 HydrophobicContact CB-CD1 4.02Å; A180-L210 HydrophobicContact CB-CD2 3.56Å; A180-L210 HydrophobicContact CB-CG 4.36Å; N194-L210 CarbonylContact C-O 3.57Å; N194-L210 VanDerWaalsContact CA-O 3.29Å; N194-L210 WeakPolarHBondContact CA-O 3.41Å; V195-L210 PolarHBondContact N-O 3.26Å; V195-L210 PolarHBondContact O-N 3.23Å; I197-L210 HydrophobicContact CG1-CD1 3.54Å; L210-E218 CarbonylContact C-O 3.52Å; L210-E218 WeakPolarHBondContact CA-O 3.46Å; L210-V219 HydrophobicContact CD2-CG2 3.68Å; L210-V219 HydrophobicContact CG-CB 4.5Å; L210-V219 HydrophobicContact CG-CG2 3.98Å
211T95.4Very high94.4Very high5 Ų522.3 Ų22.33%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-100.1129.7163.7-630000108.1E192 R193 N194 E218 K220E192-T211 HydrophobicContact CG-CG2 3.33Å; E192-T211 WeakPolarHBondContact OE1-CG2 3.22Å; R193-T211 WeakPolarHBondContact O-CA 3.31Å; N194-T211 PolarHBondContact OD1-OG1 3.13Å; T211-E218 PolarHBondContact N-O 3.31Å; T211-E218 PolarHBondContact O-N 3.18Å; T211-K220 WeakPolarHBondContact OG1-CE 2.96Å; T211-K220 WeakPolarHBondContact OG1-CG 3.19Å
212I92.7Very high94.3Very high4 Ų421.8 Ų21.82%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-119.8120.8178.2-51.5179.2000108.6Y183 V189 R193 V195 I216 F217Y183-I212 HydrophobicContact CD1-CD1 3.9Å; Y183-I212 HydrophobicContact CE1-CD1 4.1Å; V189-I212 HydrophobicContact CG2-CG2 4.47Å; R193-I212 PolarHBondContact N-O 2.76Å; R193-I212 PolarHBondContact O-N 2.71Å; V195-I212 HydrophobicContact CB-CD1 4.3Å; V195-I212 HydrophobicContact CG2-CD1 3.83Å; V195-I212 HydrophobicContact CG2-CG1 4.31Å; I212-I216 WeakPolarHBondContact CA-O 3.23Å; I212-F217 HydrophobicContact CD1-CD1 3.87Å; I212-F217 HydrophobicContact CD1-CE1 3.77Å; I212-F217 HydrophobicContact CG1-CD1 3.86Å; I212-F217 HydrophobicContact CG1-CE1 4.13Å; I212-F217 HydrophobicContact CG2-CD1 4.17Å; I212-F217 HydrophobicContact CG2-CE1 3.89Å; I212-F217 HydrophobicContact CG2-CZ 4.14Å
213E90.1Very high94.1Very high86 Ų8621.2 Ų21.240%0.40211%0.112SC..EExtended strand (participates in β ladder)trans-149.5123.2179.6-174.9176.7-157.100109.5E192 G215 I216E192-E213 HydrophobicContact CB-CB 4.43Å; E192-E213 HydrophobicContact CB-CG 4.44Å; E192-E213 HydrophobicContact CG-CB 4.5Å; E213-G215 VanDerWaalsContact C-N 3.29Å; E213-G215 PolarHBondContact O-N 2.87Å; E213-G215 VanDerWaalsContact O-N 3.08Å; E213-I216 PolarHBondContact N-O 2.93Å; E213-I216 VanDerWaalsContact N-O 3.11Å; E213-I216 WeakPolarHBondContact O-CA 3.46Å; E213-I216 VanDerWaalsContact O-CB 3.28Å; E213-I216 WeakPolarHBondContact O-CB 3.4Å; E213-I216 PolarHBondContact O-N 3.25Å
214D84.1Confident93.9Very high121 Ų12121.9 Ų21.965%0.64712%0.119SC*.THydrogen-bonded Turntrans45.344.4173.7-65.9-25.6000115.6I216D214-I216 VanDerWaalsContact C-N 3.27Å; D214-I216 PolarHBondContact O-N 2.92Å
215G83.7Confident93.6Very high28 Ų2825 Ų2529%0.28914%0.136SC..THydrogen-bonded Turntrans82-1.7179.900000114.9E213 F217 L391 L392E213-G215 VanDerWaalsContact C-N 3.29Å; E213-G215 PolarHBondContact O-N 2.87Å; E213-G215 VanDerWaalsContact O-N 3.08Å; G215-F217 VanDerWaalsContact O-CD2 3.28Å; G215-F217 WeakPolarHBondContact O-CD2 3.48Å; G215-F217 WeakPolarHBondContact O-CE2 3.5Å; G215-L391 WeakPolarHBondContact O-CA 3.45Å; G215-L392 PolarHBondContact O-N 2.86Å
216I90.5Very high93Very high66 Ų6626 Ų2634%0.33814%0.141SC..EExtended strand (participates in β ladder)trans-88.4123.5171.9-52.5176.3000109I212 E213 D214 L392 L394I212-I216 WeakPolarHBondContact CA-O 3.23Å; E213-I216 PolarHBondContact N-O 2.93Å; E213-I216 VanDerWaalsContact N-O 3.11Å; E213-I216 WeakPolarHBondContact O-CA 3.46Å; E213-I216 VanDerWaalsContact O-CB 3.28Å; E213-I216 WeakPolarHBondContact O-CB 3.4Å; E213-I216 PolarHBondContact O-N 3.25Å; D214-I216 VanDerWaalsContact C-N 3.27Å; D214-I216 PolarHBondContact O-N 2.92Å; I216-L392 WeakPolarHBondContact CA-O 3.43Å; I216-L392 HydrophobicContact CG1-CB 4.32Å; I216-L392 HydrophobicContact CG1-CD2 4.43Å; I216-L392 HydrophobicContact CG2-CD2 4.37Å; I216-L394 HydrophobicContact CG2-CD1 4.32Å
217F93.9Very high92.5Very high5 Ų527 Ų272%0.02215%0.146CC..EExtended strand (participates in β ladder)trans-112.4103.7175.5-64.9-102000108.3A180 I212 G215 L391 L392 L393 L394A180-F217 HydrophobicContact CB-CD1 4.37Å; A180-F217 VanDerWaalsContact O-CE1 3.32Å; A180-F217 WeakPolarHBondContact O-CE1 3.32Å; I212-F217 HydrophobicContact CD1-CD1 3.87Å; I212-F217 HydrophobicContact CD1-CE1 3.77Å; I212-F217 HydrophobicContact CG1-CD1 3.86Å; I212-F217 HydrophobicContact CG1-CE1 4.13Å; I212-F217 HydrophobicContact CG2-CD1 4.17Å; I212-F217 HydrophobicContact CG2-CE1 3.89Å; I212-F217 HydrophobicContact CG2-CZ 4.14Å; G215-F217 VanDerWaalsContact O-CD2 3.28Å; G215-F217 WeakPolarHBondContact O-CD2 3.48Å; G215-F217 WeakPolarHBondContact O-CE2 3.5Å; F217-L391 HydrophobicContact CD2-CD1 4.3Å; F217-L391 HydrophobicContact CD2-CD2 4.22Å; F217-L391 HydrophobicContact CD2-CG 3.92Å; F217-L391 HydrophobicContact CE2-CD1 3.79Å; F217-L391 HydrophobicContact CE2-CG 3.77Å; F217-L391 HydrophobicContact CZ-CD1 4.46Å; F217-L392 PolarHBondContact N-O 3.24Å; F217-L393 HydrophobicContact CB-CD1 3.97Å; F217-L394 PolarHBondContact O-N 3.01Å
218E95.5Very high92.4Very high56 Ų5627.5 Ų27.526%0.26215%0.149SC..EExtended strand (participates in β ladder)trans-110.5115.2-179.5-169.8-168.615600110.9L210 T211 K220 L394L210-E218 CarbonylContact C-O 3.52Å; L210-E218 WeakPolarHBondContact CA-O 3.46Å; T211-E218 PolarHBondContact N-O 3.31Å; T211-E218 PolarHBondContact O-N 3.18Å; E218-K220 PolarHBondContact O-N 2.94Å; E218-K220 IonicContact OE1-NZ 3.93Å; E218-K220 PolarHBondContact OE1-NZ 3.19Å; E218-K220 IonicContact OE2-NZ 3.49Å; E218-K220 PolarHBondContact OE2-NZ 3.43Å; E218-L394 WeakPolarHBondContact CA-O 3.42Å; E218-L394 HydrophobicContact CB-CB 4.28Å; E218-L394 HydrophobicContact CB-CD1 4.43Å; E218-L394 HydrophobicContact CG-CB 4.01Å; E218-L394 HydrophobicContact CG-CD1 4.17Å
219V96.9Very high92.3Very high2 Ų227.5 Ų27.51%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-72.9117.7172.6-1750000108.7L210 L394 D395 V396L210-V219 HydrophobicContact CD2-CG2 3.68Å; L210-V219 HydrophobicContact CG-CB 4.5Å; L210-V219 HydrophobicContact CG-CG2 3.98Å; V219-L394 PolarHBondContact N-O 3.29Å; V219-D395 HydrophobicContact CG2-CB 4.47Å; V219-V396 HydrophobicContact CB-CG1 4.24Å; V219-V396 HydrophobicContact CB-CG2 4.21Å; V219-V396 HydrophobicContact CG1-CG1 4.46Å; V219-V396 HydrophobicContact CG1-CG2 3.65Å; V219-V396 WeakPolarHBondContact O-CG1 3.48Å
220K97.1Very high92.2Very high63 Ų6327.6 Ų27.627%0.27415%0.15SC..EExtended strand (participates in β ladder)trans-85.7-35.4176.9-62-62.6179.5-177.70111.9I209 T211 E218 A324I209-K220 PolarHBondContact O-N 3.4Å; T211-K220 WeakPolarHBondContact OG1-CE 2.96Å; T211-K220 WeakPolarHBondContact OG1-CG 3.19Å; E218-K220 PolarHBondContact O-N 2.94Å; E218-K220 IonicContact OE1-NZ 3.93Å; E218-K220 PolarHBondContact OE1-NZ 3.19Å; E218-K220 IonicContact OE2-NZ 3.49Å; E218-K220 PolarHBondContact OE2-NZ 3.43Å; K220-A324 HydrophobicContact CB-CB 4.01Å
221S96.6Very high92.2Very high0 Ų028.2 Ų28.20%015%0.153CC..EExtended strand (participates in β ladder)trans-161.4151.7178.2660000111.7S208 I209 A320 N417S208-S221 WeakPolarHBondContact CA-O 3.38Å; I209-S221 PolarHBondContact N-O 3.31Å; I209-S221 PolarHBondContact O-N 3.41Å; S221-A320 PolarHBondContact OG-O 3.14Å; S221-N417 WeakPolarHBondContact CA-OD1 3.34Å
222T94.6Very high92.2Very high1 Ų129.1 Ų29.11%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-134147.2168.2-169.50000111.9A148 V207 S208 V396 P398 N417A148-T222 HydrophobicContact CB-CG2 4.48Å; A148-T222 VanDerWaalsContact CB-OG1 3.26Å; A148-T222 WeakPolarHBondContact CB-OG1 3.39Å; V207-T222 WeakPolarHBondContact O-CA 3.3Å; V207-T222 PolarHBondContact O-OG1 2.87Å; S208-T222 PolarHBondContact OG-OG1 2.86Å; S208-T222 VanDerWaalsContact OG-OG1 3.05Å; T222-V396 HydrophobicContact CG2-CG2 4.15Å; T222-P398 HydrophobicContact CG2-CB 3.81Å; T222-N417 PolarHBondContact N-OD1 2.83Å
223A91.7Very high92.5Very high1 Ų128.9 Ų28.91%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-149.9158.2174.100000109V207 P316 K319 A320V207-A223 PolarHBondContact N-O 3.46Å; V207-A223 PolarHBondContact O-N 3.38Å; V207-A223 VanDerWaalsContact O-O 3.08Å; A223-P316 HydrophobicContact CB-CB 4.05Å; A223-K319 HydrophobicContact CB-CB 4.18Å; A223-K319 HydrophobicContact CB-CD 4.01Å; A223-K319 HydrophobicContact CB-CG 4.23Å; A223-A320 HydrophobicContact CB-CB 4.38Å
224G90.8Very high92.9Very high14 Ų1424.9 Ų24.914%0.14414%0.137CC..EExtended strand (participates in β ladder)trans-178.2-176.2179.600000113.6F205F205-G224 CarbonylContact O-C 3.25Å; F205-G224 WeakPolarHBondContact O-CA 3.44Å
225D87.5Confident93.5Very high71 Ų7119.8 Ų19.838%0.3811%0.11SC..EExtended strand (participates in β ladder)trans-133.7112.7169.9-172.3-17.6000109F205 H227 L228F205-D225 PolarHBondContact N-O 2.9Å; F205-D225 PolarHBondContact O-N 2.88Å; D225-H227 PolarHBondContact O-N 2.76Å; D225-H227 VanDerWaalsContact O-N 3.14Å; D225-H227 PolarHBondContact OD1-N 3.44Å; D225-L228 HydrophobicContact CB-CB 3.87Å
226T84.7Confident94.1Very high20 Ų2021.9 Ų21.912%0.12311%0.109CC..THydrogen-bonded Turntrans-74.33.3-179.264.90000113.6R76 Y149 F150R76-T226 PolarHBondContact NH2-OG1 3Å; Y149-T226 HydrophobicContact CD1-CG2 4.33Å; Y149-T226 WeakPolarHBondContact O-CG2 3.3Å; F150-T226 HydrophobicContact CD1-CG2 4.14Å
227H86.8Confident94.5Very high23 Ų2318.8 Ų18.811%0.1069%0.093CC..THydrogen-bonded Turntrans-135.733.3179.8-94.255.7000113R72 R76 D86 D225R72-H227 PolarHBondContact O-CE1 2.95Å; R76-H227 PolarHBondContact NE-CE1 2.81Å; R76-H227 PolarHBondContact NH2-CE1 3.35Å; R76-H227 PolarHBondContact NH2-ND1 3.21Å; D86-H227 IonicContact OD1-CD2 3.69Å; D86-H227 IonicContact OD2-CD2 3.69Å; D86-H227 PolarHBondContact OD2-CD2 2.67Å; D86-H227 IonicContact OD2-NE2 3.33Å; D86-H227 PolarHBondContact OD2-NE2 3.46Å; D86-H227 VanDerWaalsContact OD2-NE2 3.08Å; D225-H227 PolarHBondContact O-N 2.76Å; D225-H227 VanDerWaalsContact O-N 3.14Å; D225-H227 PolarHBondContact OD1-N 3.44Å
228L93.8Very high94.7Very high11 Ų1118.7 Ų18.76%0.0589%0.093CC..  trans-129.1124.7174.4178.862.2000110.7L200 G203 T204 F205 D225 D232 F233 L309 T313L200-L228 HydrophobicContact CD1-CG 4.48Å; G203-L228 CarbonylContact C-O 3.59Å; G203-L228 PolarHBondContact O-N 2.88Å; T204-L228 CarbonylContact C-O 3.59Å; T204-L228 VanDerWaalsContact CA-O 3.23Å; T204-L228 WeakPolarHBondContact CA-O 3.43Å; T204-L228 PolarHBondContact N-O 2.95Å; F205-L228 HydrophobicContact CB-CB 4.17Å; F205-L228 HydrophobicContact CB-CD2 4.27Å; F205-L228 HydrophobicContact CB-CG 4.36Å; F205-L228 HydrophobicContact CD1-CD2 4.08Å; F205-L228 HydrophobicContact CG-CD2 4.41Å; F205-L228 PolarHBondContact N-O 3.42Å; D225-L228 HydrophobicContact CB-CB 3.87Å; L228-D232 WeakPolarHBondContact CA-OD2 3.33Å; L228-F233 HydrophobicContact CD1-CE1 4.3Å; L228-L309 HydrophobicContact CD1-CB 4.13Å; L228-L309 HydrophobicContact CD1-CD2 4.09Å; L228-L309 HydrophobicContact CD1-CG 4.49Å; L228-T313 HydrophobicContact CD2-CG2 3.96Å
229G96.3Very high94.8Very high0 Ų020 Ų200%010%0.102CC..SBendtrans-177.2-164.7176.600000115.1G202 E231 D232G202-G229 CarbonylContact O-C 3.54Å; G229-E231 VanDerWaalsContact C-N 3.28Å; G229-E231 PolarHBondContact O-N 3.15Å; G229-D232 PolarHBondContact N-OD2 3.44Å; G229-D232 PolarHBondContact O-N 3.26Å; G229-D232 VanDerWaalsContact O-N 3.13Å
230G97.4Very high94.9Very high2 Ų221.8 Ų21.82%0.02111%0.11CC..Hα-helixtrans-55.5-34.2-177.800000115.6G201 G202 D232 F233 D234 K271 S340G201-G230 PolarHBondContact O-N 3.06Å; G202-G230 PolarHBondContact O-N 2.85Å; G230-D232 VanDerWaalsContact C-N 3.34Å; G230-F233 PolarHBondContact O-N 3.16Å; G230-D234 PolarHBondContact O-N 3.36Å; G230-D234 VanDerWaalsContact O-N 3.11Å; G230-K271 PolarHBondContact O-NZ 3.46Å; G230-S340 WeakPolarHBondContact CA-OG 3.41Å; G230-S340 PolarHBondContact N-OG 2.97Å
231E95.6Very high95Very high14 Ų1418.8 Ų18.87%0.06510%0.097CC..Hα-helixtrans-68.2-32.4178.3-76.7-61.813300112.2T14 G202 G229 F233 D234 N235 R264T14-E231 HydrophobicContact CG2-CG 4.07Å; G202-E231 PolarHBondContact O-N 3.38Å; G229-E231 VanDerWaalsContact C-N 3.28Å; G229-E231 PolarHBondContact O-N 3.15Å; E231-F233 VanDerWaalsContact C-N 3.31Å; E231-F233 PolarHBondContact O-N 3.19Å; E231-D234 PolarHBondContact O-N 3.13Å; E231-N235 WeakPolarHBondContact O-CB 3.31Å; E231-N235 PolarHBondContact O-N 3.06Å; E231-N235 PolarHBondContact O-ND2 2.64Å; E231-R264 IonicContact OE2-NH1 3.65Å; E231-R264 PolarHBondContact OE2-NH1 2.93Å
232D97.1Very high95Very high23 Ų2320 Ų2012%0.12310%0.103CC..Hα-helixtrans-68.9-36.2176.4-51.2-58.7000110.5R72 L228 G229 G230 D234 N235 R236 L309R72-D232 IonicContact CZ-OD1 2.79Å; R72-D232 IonicContact CZ-OD2 2.75Å; R72-D232 IonicContact NH1-OD1 3.35Å; R72-D232 PolarHBondContact NH1-OD1 2.81Å; R72-D232 IonicContact NH1-OD2 3.19Å; R72-D232 IonicContact NH2-OD1 2.76Å; R72-D232 PolarHBondContact NH2-OD1 2.89Å; R72-D232 IonicContact NH2-OD2 2.86Å; R72-D232 PolarHBondContact NH2-OD2 3.06Å; L228-D232 WeakPolarHBondContact CA-OD2 3.33Å; G229-D232 PolarHBondContact N-OD2 3.44Å; G229-D232 PolarHBondContact O-N 3.26Å; G229-D232 VanDerWaalsContact O-N 3.13Å; G230-D232 VanDerWaalsContact C-N 3.34Å; D232-D234 VanDerWaalsContact C-N 3.35Å; D232-N235 WeakPolarHBondContact O-CB 3.23Å; D232-N235 PolarHBondContact O-N 3.17Å; D232-R236 WeakPolarHBondContact O-CG 3.1Å; D232-R236 PolarHBondContact O-N 2.77Å; D232-R236 VanDerWaalsContact O-N 3.1Å; D232-L309 HydrophobicContact CB-CD1 4.01Å
233F98.3Very high95.2Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-66.9-39.1174.7-47.1-32000111.6L200 L228 G230 E231 R236 M237 K271 F302 N306 L309 F310 I343L200-F233 HydrophobicContact CD2-CE2 4.19Å; L200-F233 HydrophobicContact CD2-CZ 4.2Å; L228-F233 HydrophobicContact CD1-CE1 4.3Å; G230-F233 PolarHBondContact O-N 3.16Å; E231-F233 VanDerWaalsContact C-N 3.31Å; E231-F233 PolarHBondContact O-N 3.19Å; F233-R236 PolarHBondContact O-N 3.43Å; F233-M237 PolarHBondContact O-N 2.87Å; F233-K271 HydrophobicContact CB-CD 4.15Å; F233-F302 HydrophobicContact CB-CE2 4.09Å; F233-F302 HydrophobicContact CB-CZ 4.22Å; F233-N306 WeakPolarHBondContact CA-OD1 3.49Å; F233-N306 HydrophobicContact CD1-CB 4.41Å; F233-L309 HydrophobicContact CD1-CB 4.43Å; F233-L309 HydrophobicContact CD1-CD1 3.92Å; F233-L309 HydrophobicContact CE1-CB 3.88Å; F233-L309 HydrophobicContact CE1-CD1 4.03Å; F233-F310 HydrophobicContact CD1-CD1 4.32Å; F233-F310 AromaticContact CD1-CE1 3.69Å; F233-F310 HydrophobicContact CD1-CE1 3.69Å; F233-F310 HydrophobicContact CD2-CE1 4.02Å; F233-F310 AromaticContact CE1-CD1 3.8Å; F233-F310 HydrophobicContact CE1-CD1 3.8Å; F233-F310 AromaticContact CE1-CE1 3.56Å; F233-F310 HydrophobicContact CE1-CE1 3.56Å; F233-F310 AromaticContact CE2-CE1 3.89Å; F233-F310 HydrophobicContact CE2-CE1 3.89Å; F233-F310 AromaticContact CG-CE1 3.95Å; F233-F310 HydrophobicContact CG-CE1 3.95Å; F233-F310 AromaticContact CZ-CD1 3.93Å; F233-F310 HydrophobicContact CZ-CD1 3.93Å; F233-F310 AromaticContact CZ-CE1 3.67Å; F233-F310 HydrophobicContact CZ-CE1 3.67Å; F233-I343 HydrophobicContact CD2-CD1 3.66Å; F233-I343 HydrophobicContact CE2-CD1 3.8Å
234D97.9Very high95.5Very high1 Ų123.6 Ų23.61%0.00513%0.13CC..Hα-helixtrans-65.1-40.9173.7-65.7-25.8000110.9G230 E231 D232 R236 M237 V238 E268 K271G230-D234 PolarHBondContact O-N 3.36Å; G230-D234 VanDerWaalsContact O-N 3.11Å; E231-D234 PolarHBondContact O-N 3.13Å; D232-D234 VanDerWaalsContact C-N 3.35Å; D234-R236 VanDerWaalsContact C-N 3.33Å; D234-R236 PolarHBondContact O-N 2.92Å; D234-M237 PolarHBondContact O-N 3.47Å; D234-M237 VanDerWaalsContact O-N 3.14Å; D234-V238 WeakPolarHBondContact O-CG2 3.44Å; D234-V238 PolarHBondContact O-N 3.04Å; D234-E268 WeakPolarHBondContact OD1-CA 3.34Å; D234-K271 VanDerWaalsContact OD1-CD 3.22Å; D234-K271 WeakPolarHBondContact OD1-CD 2.75Å; D234-K271 WeakPolarHBondContact OD1-CE 3.42Å; D234-K271 IonicContact OD1-NZ 3.9Å; D234-K271 PolarHBondContact OD1-NZ 3.11Å; D234-K271 IonicContact OD2-NZ 2.71Å; D234-K271 PolarHBondContact OD2-NZ 2.99Å
235N96.3Very high95.9Very high14 Ų1422.9 Ų22.98%0.07512%0.123CC..Hα-helixtrans-57-43.5175.3-74-30.1000112.1E231 D232 M237 V238 N239 R264E231-N235 WeakPolarHBondContact O-CB 3.31Å; E231-N235 PolarHBondContact O-N 3.06Å; E231-N235 PolarHBondContact O-ND2 2.64Å; D232-N235 WeakPolarHBondContact O-CB 3.23Å; D232-N235 PolarHBondContact O-N 3.17Å; N235-M237 VanDerWaalsContact C-N 3.34Å; N235-M237 PolarHBondContact O-N 2.7Å; N235-V238 PolarHBondContact O-N 3.08Å; N235-N239 WeakPolarHBondContact O-CB 3.28Å; N235-N239 VanDerWaalsContact O-CG 3.23Å; N235-N239 PolarHBondContact O-N 3.12Å; N235-N239 PolarHBondContact O-ND2 3.46Å; N235-R264 PolarHBondContact OD1-NH1 3.44Å; N235-R264 PolarHBondContact OD1-NH2 3.37Å
236R97.8Very high96.4Very high73 Ų7324.5 Ų24.528%0.27513%0.127SC..Hα-helixtrans-61.7-41.7176.3-63.2-60.1-17880.7-3.8111.9D232 F233 D234 H240 L305 N306 D308 L309D232-R236 WeakPolarHBondContact O-CG 3.1Å; D232-R236 PolarHBondContact O-N 2.77Å; D232-R236 VanDerWaalsContact O-N 3.1Å; F233-R236 PolarHBondContact O-N 3.43Å; D234-R236 VanDerWaalsContact C-N 3.33Å; D234-R236 PolarHBondContact O-N 2.92Å; R236-H240 WeakPolarHBondContact O-CB 3.43Å; R236-H240 PolarHBondContact O-N 3.3Å; R236-H240 VanDerWaalsContact O-N 3.09Å; R236-L305 HydrophobicContact CB-CB 4.42Å; R236-L305 PolarHBondContact NH1-O 3.11Å; R236-N306 WeakPolarHBondContact CB-OD1 3.33Å; R236-N306 WeakPolarHBondContact CG-OD1 3.21Å; R236-D308 IonicContact CZ-OD1 3.58Å; R236-D308 IonicContact CZ-OD2 3.66Å; R236-D308 IonicContact NH1-OD1 3.24Å; R236-D308 PolarHBondContact NH1-OD1 3.33Å; R236-D308 IonicContact NH1-OD2 3.54Å; R236-D308 PolarHBondContact NH1-OD2 2.76Å; R236-D308 IonicContact NH2-OD1 2.79Å; R236-D308 IonicContact NH2-OD2 2.74Å; R236-D308 PolarHBondContact NH2-OD2 3.37Å; R236-L309 HydrophobicContact CG-CD1 4.31Å
237M98.3Very high97Very high0 Ų030.7 Ų30.70%015%0.148CC..Hα-helixtrans-66.6-46.4176.4-68.8-177.862.200111.8F233 D234 N235 N239 H240 F241 C267 A270 K271 I297 F302F233-M237 PolarHBondContact O-N 2.87Å; D234-M237 PolarHBondContact O-N 3.47Å; D234-M237 VanDerWaalsContact O-N 3.14Å; N235-M237 VanDerWaalsContact C-N 3.34Å; N235-M237 PolarHBondContact O-N 2.7Å; M237-N239 PolarHBondContact O-N 3.19Å; M237-H240 WeakPolarHBondContact O-CB 3.5Å; M237-H240 PolarHBondContact O-N 3.15Å; M237-F241 HydrophobicContact CB-CE2 4.48Å; M237-F241 HydrophobicContact CE-CE2 4.18Å; M237-F241 WeakPolarHBondContact O-CD2 3.24Å; M237-F241 PolarHBondContact O-N 2.68Å; M237-C267 HydrophobicContact CB-CB 3.91Å; M237-C267 HydrophobicContact CE-CB 4.21Å; M237-C267 WeakPolarHBondContact CE-O 3.24Å; M237-A270 HydrophobicContact CE-CB 3.88Å; M237-K271 HydrophobicContact SD-CB 3.98Å; M237-I297 HydrophobicContact CE-CD1 4.19Å; M237-I297 HydrophobicContact CE-CG2 4.12Å; M237-F302 HydrophobicContact CG-CD2 3.91Å; M237-F302 HydrophobicContact CG-CE2 4.29Å; M237-F302 HydrophobicContact SD-CD2 3.49Å; M237-F302 WeakPolarHBondContact SD-CD2 3.48Å; M237-F302 HydrophobicContact SD-CE2 3.74Å
238V98.1Very high97.5Very high3 Ų334.5 Ų34.52%0.01816%0.164CC..Hα-helixtrans-58.1-49178.11700000110.6D234 N235 H240 F241 I242 V260 L263 R264 C267D234-V238 WeakPolarHBondContact O-CG2 3.44Å; D234-V238 PolarHBondContact O-N 3.04Å; N235-V238 PolarHBondContact O-N 3.08Å; V238-H240 VanDerWaalsContact C-N 3.31Å; V238-H240 PolarHBondContact O-N 3.46Å; V238-F241 PolarHBondContact O-N 3.05Å; V238-F241 VanDerWaalsContact O-N 3.16Å; V238-I242 HydrophobicContact CG1-CD1 3.69Å; V238-I242 HydrophobicContact CG1-CG1 4.22Å; V238-I242 WeakPolarHBondContact O-CG1 3.21Å; V238-I242 PolarHBondContact O-N 3.2Å; V238-V260 HydrophobicContact CG1-CG1 4.27Å; V238-L263 HydrophobicContact CG1-CD2 4.37Å; V238-R264 HydrophobicContact CG2-CB 3.86Å; V238-R264 HydrophobicContact CG2-CG 4.21Å; V238-C267 HydrophobicContact CG2-CB 4.1Å
239N97.9Very high97.7Very high83 Ų8337.1 Ų37.144%0.44418%0.176SC..Hα-helixtrans-60.4-41.4178.5-70.7-21.7000112.2N235 M237 F241 A243N235-N239 WeakPolarHBondContact O-CB 3.28Å; N235-N239 VanDerWaalsContact O-CG 3.23Å; N235-N239 PolarHBondContact O-N 3.12Å; N235-N239 PolarHBondContact O-ND2 3.46Å; M237-N239 PolarHBondContact O-N 3.19Å; N239-F241 VanDerWaalsContact C-N 3.35Å; N239-F241 PolarHBondContact O-N 3Å; N239-A243 PolarHBondContact O-N 2.97Å; N239-A243 VanDerWaalsContact O-N 3.13Å
240H98.4Very high97.7Very high40 Ų4045 Ų4519%0.18521%0.21CC..Hα-helixtrans-59.1-45.8175.1176.357.9000111.8R236 M237 V238 A243 E244 L305R236-H240 WeakPolarHBondContact O-CB 3.43Å; R236-H240 PolarHBondContact O-N 3.3Å; R236-H240 VanDerWaalsContact O-N 3.09Å; M237-H240 WeakPolarHBondContact O-CB 3.5Å; M237-H240 PolarHBondContact O-N 3.15Å; V238-H240 VanDerWaalsContact C-N 3.31Å; V238-H240 PolarHBondContact O-N 3.46Å; H240-A243 PolarHBondContact O-N 3.26Å; H240-E244 PolarHBondContact O-N 2.9Å; H240-L305 HydrophobicContact CB-CD1 3.92Å; H240-L305 HydrophobicContact CB-CD2 4.2Å
241F98.6Very high97.7Very high1 Ų149 Ų490%0.00423%0.227CC..Hα-helixtrans-79-27.9-177.3-71.3-59000114.5M237 V238 N239 A243 E244 F245 L263 I282 F293 T295 I297M237-F241 HydrophobicContact CB-CE2 4.48Å; M237-F241 HydrophobicContact CE-CE2 4.18Å; M237-F241 WeakPolarHBondContact O-CD2 3.24Å; M237-F241 PolarHBondContact O-N 2.68Å; V238-F241 PolarHBondContact O-N 3.05Å; V238-F241 VanDerWaalsContact O-N 3.16Å; N239-F241 VanDerWaalsContact C-N 3.35Å; N239-F241 PolarHBondContact O-N 3Å; F241-A243 VanDerWaalsContact C-N 3.34Å; F241-E244 HydrophobicContact CD1-CB 4.48Å; F241-E244 PolarHBondContact O-N 2.94Å; F241-F245 WeakPolarHBondContact O-CB 3.32Å; F241-F245 PolarHBondContact O-N 3.02Å; F241-L263 HydrophobicContact CB-CD1 3.88Å; F241-L263 HydrophobicContact CB-CD2 3.92Å; F241-L263 HydrophobicContact CB-CG 4.4Å; F241-L263 HydrophobicContact CG-CD1 4.48Å; F241-I282 HydrophobicContact CD2-CD1 3.68Å; F241-I282 HydrophobicContact CE1-CD1 4.16Å; F241-I282 HydrophobicContact CE2-CD1 3.11Å; F241-I282 HydrophobicContact CG-CD1 4.39Å; F241-I282 HydrophobicContact CZ-CD1 3.35Å; F241-F293 HydrophobicContact CB-CE1 4.09Å; F241-F293 HydrophobicContact CB-CZ 4.25Å; F241-F293 HydrophobicContact CD1-CE1 4.05Å; F241-F293 AromaticContact CD1-CZ 3.95Å; F241-F293 HydrophobicContact CD1-CZ 3.95Å; F241-F293 HydrophobicContact CG-CE1 4.28Å; F241-F293 HydrophobicContact CG-CZ 4.47Å; F241-T295 HydrophobicContact CD1-CG2 3.77Å; F241-T295 HydrophobicContact CE1-CG2 3.43Å; F241-T295 VanDerWaalsContact CE1-CG2 3.43Å; F241-T295 HydrophobicContact CZ-CG2 4.22Å; F241-I297 HydrophobicContact CE2-CD1 4.29Å; F241-I297 HydrophobicContact CE2-CG2 4.44Å; F241-I297 HydrophobicContact CZ-CB 3.84Å; F241-I297 HydrophobicContact CZ-CD1 4.18Å; F241-I297 HydrophobicContact CZ-CG2 4.04Å
242I98.3Very high97.8Very high24 Ų2450.9 Ų50.912%0.12324%0.238CC..Hα-helixtrans-60.1-47.9167-70.8173.4000109.5V238 E244 F245 K246 I253 V260 L263V238-I242 HydrophobicContact CG1-CD1 3.69Å; V238-I242 HydrophobicContact CG1-CG1 4.22Å; V238-I242 WeakPolarHBondContact O-CG1 3.21Å; V238-I242 PolarHBondContact O-N 3.2Å; I242-E244 VanDerWaalsContact C-N 3.33Å; I242-E244 PolarHBondContact O-N 3.12Å; I242-F245 PolarHBondContact O-N 2.8Å; I242-K246 WeakPolarHBondContact O-CB 3.45Å; I242-K246 PolarHBondContact O-N 2.9Å; I242-I253 HydrophobicContact CG1-CD1 4.06Å; I242-I253 HydrophobicContact CG1-CG1 3.9Å; I242-I253 HydrophobicContact CG2-CG1 4.38Å; I242-V260 HydrophobicContact CD1-CG2 4.26Å; I242-L263 HydrophobicContact CG1-CD2 3.87Å
243A98.3Very high97.8Very high60 Ų6049.9 Ų49.950%0.49623%0.232SC..Hα-helixtrans-63.5-39177.400000112.2N239 H240 F241 R247N239-A243 PolarHBondContact O-N 2.97Å; N239-A243 VanDerWaalsContact O-N 3.13Å; H240-A243 PolarHBondContact O-N 3.26Å; F241-A243 VanDerWaalsContact C-N 3.34Å; A243-R247 WeakPolarHBondContact O-CB 3.46Å; A243-R247 PolarHBondContact O-N 2.85Å
244E98.1Very high97.6Very high18 Ų1852.5 Ų52.58%0.08425%0.251CS..Hα-helixtrans-64.4-46.3174.6177.6165.8143.300112.5H240 F241 I242 K246 R247 K248 F293 T295H240-E244 PolarHBondContact O-N 2.9Å; F241-E244 HydrophobicContact CD1-CB 4.48Å; F241-E244 PolarHBondContact O-N 2.94Å; I242-E244 VanDerWaalsContact C-N 3.33Å; I242-E244 PolarHBondContact O-N 3.12Å; E244-K246 VanDerWaalsContact C-N 3.31Å; E244-K246 PolarHBondContact O-N 3.39Å; E244-R247 WeakPolarHBondContact O-CB 3.41Å; E244-R247 PolarHBondContact O-N 3.33Å; E244-R247 VanDerWaalsContact O-N 3.15Å; E244-R247 IonicContact OE2-NH2 3.52Å; E244-R247 PolarHBondContact OE2-NH2 2.96Å; E244-K248 HydrophobicContact CG-CD 3.93Å; E244-K248 HydrophobicContact CG-CG 4.31Å; E244-K248 WeakPolarHBondContact O-CB 3.45Å; E244-K248 PolarHBondContact O-N 3.46Å; E244-K248 VanDerWaalsContact OE1-CE 3.3Å; E244-K248 WeakPolarHBondContact OE1-CE 3.33Å; E244-K248 IonicContact OE1-NZ 2.7Å; E244-K248 PolarHBondContact OE1-NZ 2.84Å; E244-F293 HydrophobicContact CG-CE2 4.42Å; E244-F293 HydrophobicContact CG-CZ 4.34Å; E244-T295 WeakPolarHBondContact OE1-CB 3.31Å; E244-T295 PolarHBondContact OE1-OG1 2.79Å
245F98.3Very high97.4Very high0 Ų060.8 Ų60.80%029%0.289CS..Hα-helixtrans-58.6-46.4177.4-172.1-85.4000110.3F241 I242 R247 K248 H249 K251 I253 L287 Y288 I291 F293F241-F245 WeakPolarHBondContact O-CB 3.32Å; F241-F245 PolarHBondContact O-N 3.02Å; I242-F245 PolarHBondContact O-N 2.8Å; F245-R247 VanDerWaalsContact C-N 3.34Å; F245-R247 PolarHBondContact O-N 3.18Å; F245-K248 PolarHBondContact O-N 3.02Å; F245-H249 HydrophobicContact CD1-CB 4.46Å; F245-H249 AromaticContact CD2-CD2 3.62Å; F245-H249 HydrophobicContact CE1-CB 4.17Å; F245-H249 AromaticContact CE2-CD2 3.66Å; F245-H249 AromaticContact CG-CD2 3.99Å; F245-H249 HydrophobicContact CZ-CB 4.27Å; F245-H249 WeakPolarHBondContact O-CB 3.5Å; F245-H249 PolarHBondContact O-N 3.2Å; F245-K251 WeakPolarHBondContact CD1-O 3.28Å; F245-K251 HydrophobicContact CE1-CB 3.87Å; F245-I253 HydrophobicContact CD1-CG2 3.51Å; F245-I253 HydrophobicContact CE1-CG2 3.42Å; F245-I253 VanDerWaalsContact CE1-CG2 3.42Å; F245-I253 HydrophobicContact CG-CG2 4.22Å; F245-I253 HydrophobicContact CZ-CG2 4.1Å; F245-L287 HydrophobicContact CD2-CD2 3.94Å; F245-L287 HydrophobicContact CE2-CD2 4.03Å; F245-Y288 HydrophobicContact CE1-CD1 4.21Å; F245-Y288 HydrophobicContact CZ-CD1 4.49Å; F245-I291 HydrophobicContact CE2-CG2 4.07Å; F245-I291 HydrophobicContact CZ-CB 4.18Å; F245-I291 HydrophobicContact CZ-CD1 4.39Å; F245-I291 HydrophobicContact CZ-CG2 4.05Å; F245-F293 HydrophobicContact CB-CE2 4.12Å; F245-F293 HydrophobicContact CB-CZ 4.49Å; F245-F293 HydrophobicContact CD2-CB 4.21Å; F245-F293 AromaticContact CD2-CD2 3.48Å; F245-F293 HydrophobicContact CD2-CD2 3.48Å; F245-F293 VanDerWaalsContact CD2-CD2 3.48Å; F245-F293 AromaticContact CD2-CE2 3.94Å; F245-F293 HydrophobicContact CD2-CE2 3.94Å; F245-F293 AromaticContact CD2-CG 3.92Å; F245-F293 HydrophobicContact CD2-CG 3.92Å; F245-F293 HydrophobicContact CE2-CB 4.25Å; F245-F293 HydrophobicContact CE2-CD2 4.18Å; F245-F293 HydrophobicContact CE2-CG 4.45Å; F245-F293 HydrophobicContact CG-CD2 4.46Å
246K98.1Very high97.4Very high104 Ų10463 Ų6345%0.45230%0.301SS..Hα-helixtrans-59.4-41.4174.6-170.7172.9-172.8163.70112.7I242 E244 K250 K251 D252I242-K246 WeakPolarHBondContact O-CB 3.45Å; I242-K246 PolarHBondContact O-N 2.9Å; E244-K246 VanDerWaalsContact C-N 3.31Å; E244-K246 PolarHBondContact O-N 3.39Å; K246-K250 WeakPolarHBondContact O-CA 3.43Å; K246-K250 PolarHBondContact O-N 3.38Å; K246-K251 WeakPolarHBondContact CA-O 3.25Å; K246-D252 HydrophobicContact CD-CB 4.31Å; K246-D252 WeakPolarHBondContact CE-OD2 3.44Å; K246-D252 IonicContact NZ-OD2 3.49Å; K246-D252 PolarHBondContact NZ-OD2 3.47Å
247R97.9Very high97.2Very high151 Ų15164.3 Ų64.357%0.5731%0.309SS*.Hα-helixtrans-65.9-46.8177.1-178.8-176.261.9-161.3-5.4112.3A243 E244 F245 K250A243-R247 WeakPolarHBondContact O-CB 3.46Å; A243-R247 PolarHBondContact O-N 2.85Å; E244-R247 WeakPolarHBondContact O-CB 3.41Å; E244-R247 PolarHBondContact O-N 3.33Å; E244-R247 VanDerWaalsContact O-N 3.15Å; E244-R247 IonicContact OE2-NH2 3.52Å; E244-R247 PolarHBondContact OE2-NH2 2.96Å; F245-R247 VanDerWaalsContact C-N 3.34Å; F245-R247 PolarHBondContact O-N 3.18Å; R247-K250 PolarHBondContact O-NZ 3.47Å
248K97.4Very high97.1Very high102 Ų10271 Ų7144%0.44333%0.334SS..Hα-helixtrans-73.3-44.6-175.9-78.1-179.2169.31720112.6E244 F245 T295E244-K248 HydrophobicContact CG-CD 3.93Å; E244-K248 HydrophobicContact CG-CG 4.31Å; E244-K248 WeakPolarHBondContact O-CB 3.45Å; E244-K248 PolarHBondContact O-N 3.46Å; E244-K248 VanDerWaalsContact OE1-CE 3.3Å; E244-K248 WeakPolarHBondContact OE1-CE 3.33Å; E244-K248 IonicContact OE1-NZ 2.7Å; E244-K248 PolarHBondContact OE1-NZ 2.84Å; F245-K248 PolarHBondContact O-N 3.02Å; K248-T295 PolarHBondContact NZ-OG1 3.27Å
249H96.9Very high97.1Very high66 Ų6670.9 Ų70.931%0.30633%0.333SS..Hα-helixtrans-111.3-3.3-169.5-55.9-73.4000114.1F245 K251 I291F245-H249 HydrophobicContact CD1-CB 4.46Å; F245-H249 AromaticContact CD2-CD2 3.62Å; F245-H249 HydrophobicContact CE1-CB 4.17Å; F245-H249 AromaticContact CE2-CD2 3.66Å; F245-H249 AromaticContact CG-CD2 3.99Å; F245-H249 HydrophobicContact CZ-CB 4.27Å; F245-H249 WeakPolarHBondContact O-CB 3.5Å; F245-H249 PolarHBondContact O-N 3.2Å; H249-K251 PolarHBondContact O-N 3.36Å; H249-I291 HydrophobicContact CB-CD1 4.19Å; H249-I291 WeakPolarHBondContact ND1-CG2 3.12Å
250K97.4Very high97Very high167 Ų16768.2 Ų68.273%0.72632%0.32SS*.SBendtrans58.225.6-179-49.3-53.8-175.8-160.60113.9K246 R247K246-K250 WeakPolarHBondContact O-CA 3.43Å; K246-K250 PolarHBondContact O-N 3.38Å; R247-K250 PolarHBondContact O-NZ 3.47Å
251K97.3Very high96.9Very high84 Ų8466.9 Ų66.937%0.36531%0.313SS..  trans-125.3139.7-179.5-69.9-72.9-174.8152.60109.6F245 K246 H249 Y288 E289 I291F245-K251 WeakPolarHBondContact CD1-O 3.28Å; F245-K251 HydrophobicContact CE1-CB 3.87Å; K246-K251 WeakPolarHBondContact CA-O 3.25Å; H249-K251 PolarHBondContact O-N 3.36Å; K251-Y288 HydrophobicContact CB-CD1 4.19Å; K251-Y288 HydrophobicContact CB-CE1 4.11Å; K251-Y288 HydrophobicContact CD-CE1 4.35Å; K251-E289 WeakPolarHBondContact CD-OE2 3.5Å; K251-E289 WeakPolarHBondContact CE-OE2 3.33Å; K251-E289 IonicContact NZ-OE1 2.67Å; K251-E289 IonicContact NZ-OE2 3.66Å; K251-E289 PolarHBondContact NZ-OE2 2.9Å; K251-I291 HydrophobicContact CG-CD1 4.45Å
252D96.6Very high96.9Very high55 Ų5570.2 Ų70.229%0.29433%0.326SS..  trans-103.4125178.6-157.4-20.8000110.1K246 S254K246-D252 HydrophobicContact CD-CB 4.31Å; K246-D252 WeakPolarHBondContact CE-OD2 3.44Å; K246-D252 IonicContact NZ-OD2 3.49Å; K246-D252 PolarHBondContact NZ-OD2 3.47Å; D252-S254 WeakPolarHBondContact OD1-CB 3.33Å; D252-S254 PolarHBondContact OD1-N 3.41Å; D252-S254 VanDerWaalsContact OD1-N 3.07Å; D252-S254 PolarHBondContact OD1-OG 3.38Å
253I96.8Very high96.8Very high1 Ų169.1 Ų69.11%0.00532%0.32CS..  trans-98.2-3.9-179.268.1173.5000112.3I242 F245 E255 N256 A259 V260 L263 L287 Y288I242-I253 HydrophobicContact CG1-CD1 4.06Å; I242-I253 HydrophobicContact CG1-CG1 3.9Å; I242-I253 HydrophobicContact CG2-CG1 4.38Å; F245-I253 HydrophobicContact CD1-CG2 3.51Å; F245-I253 HydrophobicContact CE1-CG2 3.42Å; F245-I253 VanDerWaalsContact CE1-CG2 3.42Å; F245-I253 HydrophobicContact CG-CG2 4.22Å; F245-I253 HydrophobicContact CZ-CG2 4.1Å; I253-E255 PolarHBondContact O-N 2.91Å; I253-E255 VanDerWaalsContact O-N 3.13Å; I253-N256 PolarHBondContact O-N 3.22Å; I253-A259 HydrophobicContact CB-CB 4.22Å; I253-V260 VanDerWaalsContact O-CG2 3.26Å; I253-V260 WeakPolarHBondContact O-CG2 3.33Å; I253-L263 HydrophobicContact CD1-CD2 3.85Å; I253-L287 HydrophobicContact CD1-CD2 4.09Å; I253-Y288 HydrophobicContact CB-CD2 4.49Å; I253-Y288 HydrophobicContact CG2-CD1 3.92Å; I253-Y288 HydrophobicContact CG2-CD2 3.96Å; I253-Y288 HydrophobicContact CG2-CG 3.56Å
254S95Very high96.8Very high56 Ų5666.8 Ų66.839%0.39230%0.299SS..THydrogen-bonded Turntrans-54.8-35.1-172.262.60000113.7D252D252-S254 WeakPolarHBondContact OD1-CB 3.33Å; D252-S254 PolarHBondContact OD1-N 3.41Å; D252-S254 VanDerWaalsContact OD1-N 3.07Å; D252-S254 PolarHBondContact OD1-OG 3.38Å
255E93.2Very high96.7Very high175 Ų17568.7 Ų68.782%0.81831%0.312SS*.THydrogen-bonded Turntrans-81.2-15.9180-62.1-66.9145.200113I253 K257I253-E255 PolarHBondContact O-N 2.91Å; I253-E255 VanDerWaalsContact O-N 3.13Å; E255-K257 PolarHBondContact O-N 2.88Å
256N95.9Very high96.7Very high61 Ų6169.6 Ų69.633%0.32632%0.319SS..  trans-9294.8-177.9-170.4-53.9000110.9I253 R258 A259 V260 Y288I253-N256 PolarHBondContact O-N 3.22Å; N256-R258 PolarHBondContact O-N 2.9Å; N256-R258 VanDerWaalsContact O-N 3.14Å; N256-R258 PolarHBondContact OD1-N 2.74Å; N256-A259 HydrophobicContact CB-CB 3.93Å; N256-A259 PolarHBondContact O-N 3.48Å; N256-A259 VanDerWaalsContact O-N 3.08Å; N256-A259 PolarHBondContact OD1-N 2.9Å; N256-V260 WeakPolarHBondContact O-CG2 3.39Å; N256-V260 PolarHBondContact O-N 3.4Å; N256-Y288 HydrophobicContact CB-CD2 4.02Å; N256-Y288 HydrophobicContact CB-CE2 3.78Å
257K95.3Very high96.7Very high100 Ų10064.7 Ų64.744%0.43530%0.297SS..Hα-helixtrans-51.6-39.1-178.8-61.8-176.3179.3-171.60113.4P63 T64 P91 E255 R261P63-K257 HydrophobicContact CB-CB 4.24Å; P63-K257 HydrophobicContact CG-CB 3.94Å; T64-K257 HydrophobicContact CG2-CD 3.61Å; P91-K257 HydrophobicContact CB-CB 4.43Å; P91-K257 HydrophobicContact CB-CD 4.26Å; P91-K257 HydrophobicContact CB-CG 4.49Å; P91-K257 WeakPolarHBondContact O-CD 3.21Å; P91-K257 WeakPolarHBondContact O-CE 3.16Å; P91-K257 PolarHBondContact O-NZ 3.04Å; E255-K257 PolarHBondContact O-N 2.88Å; K257-R261 VanDerWaalsContact O-CB 3.23Å; K257-R261 WeakPolarHBondContact O-CB 3.43Å; K257-R261 PolarHBondContact O-N 3.35Å
258R95.5Very high96.7Very high141 Ų14158.8 Ų58.853%0.53228%0.276SS..Hα-helixtrans-68.1-47.6178.4174.5164.8-172-159.72.6111.7A60 N256 R261 R262A60-R258 WeakPolarHBondContact O-CD 3.35Å; A60-R258 VanDerWaalsContact O-CG 3.23Å; A60-R258 WeakPolarHBondContact O-CG 3.34Å; N256-R258 PolarHBondContact O-N 2.9Å; N256-R258 VanDerWaalsContact O-N 3.14Å; N256-R258 PolarHBondContact OD1-N 2.74Å; R258-R261 PolarHBondContact O-N 2.95Å; R258-R262 WeakPolarHBondContact O-CG 3.5Å; R258-R262 PolarHBondContact O-N 3.09Å
259A97.1Very high96.7Very high0 Ų062.9 Ų62.90%029%0.289CS..Hα-helixtrans-62-47.7177.700000111I253 N256 R261 R262 L263 L287 Y288I253-A259 HydrophobicContact CB-CB 4.22Å; N256-A259 HydrophobicContact CB-CB 3.93Å; N256-A259 PolarHBondContact O-N 3.48Å; N256-A259 VanDerWaalsContact O-N 3.08Å; N256-A259 PolarHBondContact OD1-N 2.9Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-R261 PolarHBondContact O-N 2.69Å; A259-R262 PolarHBondContact O-N 3.46Å; A259-L263 WeakPolarHBondContact O-CB 3.21Å; A259-L263 PolarHBondContact O-N 2.83Å; A259-L287 HydrophobicContact CB-CD1 4.14Å; A259-L287 WeakPolarHBondContact CB-O 3.39Å; A259-L287 WeakPolarHBondContact O-CD1 3.26Å; A259-Y288 HydrophobicContact CB-CD2 4.33Å
260V97.1Very high96.8Very high27 Ų2759.9 Ų59.916%0.16428%0.275CS..Hα-helixtrans-60.1-41.9177.1175.20000111.3V238 I242 I253 N256 L263 R264V238-V260 HydrophobicContact CG1-CG1 4.27Å; I242-V260 HydrophobicContact CD1-CG2 4.26Å; I253-V260 VanDerWaalsContact O-CG2 3.26Å; I253-V260 WeakPolarHBondContact O-CG2 3.33Å; N256-V260 WeakPolarHBondContact O-CG2 3.39Å; N256-V260 PolarHBondContact O-N 3.4Å; V260-L263 PolarHBondContact O-N 3.03Å; V260-R264 WeakPolarHBondContact O-CB 3.37Å; V260-R264 PolarHBondContact O-N 3.17Å
261R96.3Very high96.8Very high11 Ų1152.9 Ų52.94%0.04225%0.245CC..Hα-helixtrans-65.5-41177.8-175.461.1-121.3-164.1-4.1112.7Y41 V59 A60 K257 R258 A259 R264 T265Y41-R261 PolarHBondContact OH-NH1 3.31Å; V59-R261 HydrophobicContact CB-CG 4.47Å; V59-R261 HydrophobicContact CG1-CG 3.86Å; V59-R261 HydrophobicContact CG2-CG 4Å; A60-R261 HydrophobicContact CB-CG 4.5Å; K257-R261 VanDerWaalsContact O-CB 3.23Å; K257-R261 WeakPolarHBondContact O-CB 3.43Å; K257-R261 PolarHBondContact O-N 3.35Å; R258-R261 PolarHBondContact O-N 2.95Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-R261 PolarHBondContact O-N 2.69Å; R261-R264 PolarHBondContact O-N 3.34Å; R261-T265 PolarHBondContact NE-OG1 2.91Å; R261-T265 PolarHBondContact NH2-OG1 3.48Å; R261-T265 VanDerWaalsContact NH2-OG1 3.16Å; R261-T265 PolarHBondContact O-N 3.4Å; R261-T265 PolarHBondContact O-OG1 2.86Å
262R97.3Very high96.9Very high72 Ų7255 Ų5527%0.27225%0.251SS..Hα-helixtrans-62.7-44.1174.3-70.217671.9-158.41.8111.2A60 R258 A259 T265 A266 I284 D285 S286 L287A60-R262 HydrophobicContact CB-CG 3.97Å; R258-R262 WeakPolarHBondContact O-CG 3.5Å; R258-R262 PolarHBondContact O-N 3.09Å; A259-R262 PolarHBondContact O-N 3.46Å; R262-T265 PolarHBondContact O-N 3.08Å; R262-A266 PolarHBondContact O-N 2.77Å; R262-A266 VanDerWaalsContact O-N 3.08Å; R262-I284 HydrophobicContact CB-CG2 4.43Å; R262-I284 VanDerWaalsContact NH2-CG2 3.33Å; R262-D285 PolarHBondContact NH1-O 3.36Å; R262-D285 PolarHBondContact NH2-O 2.94Å; R262-S286 PolarHBondContact NH1-O 3.4Å; R262-L287 HydrophobicContact CB-CD1 4.19Å
263L97.9Very high96.9Very high0 Ų054.9 Ų54.90%025%0.252CS..Hα-helixtrans-61.8-43.4175.6179.160.8000112V238 F241 I242 I253 A259 V260 A266 C267 I282 I284 L287 F293V238-L263 HydrophobicContact CG1-CD2 4.37Å; F241-L263 HydrophobicContact CB-CD1 3.88Å; F241-L263 HydrophobicContact CB-CD2 3.92Å; F241-L263 HydrophobicContact CB-CG 4.4Å; F241-L263 HydrophobicContact CG-CD1 4.48Å; I242-L263 HydrophobicContact CG1-CD2 3.87Å; I253-L263 HydrophobicContact CD1-CD2 3.85Å; A259-L263 WeakPolarHBondContact O-CB 3.21Å; A259-L263 PolarHBondContact O-N 2.83Å; V260-L263 PolarHBondContact O-N 3.03Å; L263-A266 PolarHBondContact O-N 2.87Å; L263-C267 PolarHBondContact O-N 3Å; L263-C267 PolarHBondContact O-SG 3.43Å; L263-I282 HydrophobicContact CD1-CG2 4.45Å; L263-I284 HydrophobicContact CB-CD1 4.35Å; L263-I284 HydrophobicContact CD1-CD1 4.05Å; L263-L287 HydrophobicContact CB-CD1 4.49Å; L263-F293 HydrophobicContact CD1-CD1 4.35Å; L263-F293 HydrophobicContact CD1-CE1 4.14Å
264R97.2Very high97Very high12 Ų1254.9 Ų54.95%0.04525%0.252CS..Hα-helixtrans-59.5-47.2176.2-178.3-180-67.3-82.4-6.5112E231 N235 V238 V260 R261 A266 C267 E268E231-R264 IonicContact OE2-NH1 3.65Å; E231-R264 PolarHBondContact OE2-NH1 2.93Å; N235-R264 PolarHBondContact OD1-NH1 3.44Å; N235-R264 PolarHBondContact OD1-NH2 3.37Å; V238-R264 HydrophobicContact CG2-CB 3.86Å; V238-R264 HydrophobicContact CG2-CG 4.21Å; V260-R264 WeakPolarHBondContact O-CB 3.37Å; V260-R264 PolarHBondContact O-N 3.17Å; R261-R264 PolarHBondContact O-N 3.34Å; R264-A266 VanDerWaalsContact C-N 3.27Å; R264-A266 PolarHBondContact O-N 3.35Å; R264-C267 WeakPolarHBondContact O-CB 3.42Å; R264-C267 PolarHBondContact O-N 3.37Å; R264-C267 VanDerWaalsContact O-N 3.12Å; R264-E268 PolarHBondContact O-N 3.23Å
265T96.1Very high97.1Very high58 Ų5853.7 Ų53.736%0.35624%0.244SC..Hα-helixtrans-59.1-40176.4-62.50000111.5R261 R262 R269R261-T265 PolarHBondContact NE-OG1 2.91Å; R261-T265 PolarHBondContact NH2-OG1 3.48Å; R261-T265 VanDerWaalsContact NH2-OG1 3.16Å; R261-T265 PolarHBondContact O-N 3.4Å; R261-T265 PolarHBondContact O-OG1 2.86Å; R262-T265 PolarHBondContact O-N 3.08Å; T265-R269 PolarHBondContact O-N 2.86Å; T265-R269 VanDerWaalsContact O-N 3.16Å
266A98Very high97.3Very high19 Ų1950 Ų5016%0.15724%0.237CC..Hα-helixtrans-68.4-38174.700000112.8R262 L263 R264 R269 A270 I282 I284R262-A266 PolarHBondContact O-N 2.77Å; R262-A266 VanDerWaalsContact O-N 3.08Å; L263-A266 PolarHBondContact O-N 2.87Å; R264-A266 VanDerWaalsContact C-N 3.27Å; R264-A266 PolarHBondContact O-N 3.35Å; A266-R269 PolarHBondContact O-N 3.24Å; A266-A270 WeakPolarHBondContact O-CB 3.45Å; A266-A270 PolarHBondContact O-N 3.14Å; A266-I282 HydrophobicContact CB-CG2 4.01Å; A266-I284 HydrophobicContact CB-CD1 3.66Å; A266-I284 HydrophobicContact CB-CG1 4Å
267C98.4Very high97.4Very high0 Ų049.5 Ų49.50%024%0.238CC..Hα-helixtrans-63.5-44.5176-690000111.9M237 V238 L263 R264 A270 K271M237-C267 HydrophobicContact CB-CB 3.91Å; M237-C267 HydrophobicContact CE-CB 4.21Å; M237-C267 WeakPolarHBondContact CE-O 3.24Å; V238-C267 HydrophobicContact CG2-CB 4.1Å; L263-C267 PolarHBondContact O-N 3Å; L263-C267 PolarHBondContact O-SG 3.43Å; R264-C267 WeakPolarHBondContact O-CB 3.42Å; R264-C267 PolarHBondContact O-N 3.37Å; R264-C267 VanDerWaalsContact O-N 3.12Å; C267-A270 PolarHBondContact O-N 3.43Å; C267-K271 WeakPolarHBondContact O-CB 3.23Å; C267-K271 PolarHBondContact O-N 3.25Å
268E97.4Very high97.5Very high27 Ų2749.6 Ų49.613%0.12625%0.248CC..Hα-helixtrans-63.5-42.4178.1-174.1-106.7169.800111.5D234 R264 K271 R272D234-E268 WeakPolarHBondContact OD1-CA 3.34Å; R264-E268 PolarHBondContact O-N 3.23Å; E268-K271 WeakPolarHBondContact O-CB 3.11Å; E268-K271 PolarHBondContact O-N 3.34Å; E268-R272 WeakPolarHBondContact O-CG 2.93Å; E268-R272 PolarHBondContact O-N 3.1Å; E268-R272 IonicContact OE1-CZ 3.86Å; E268-R272 IonicContact OE1-NE 3.54Å; E268-R272 PolarHBondContact OE1-NE 2.73Å; E268-R272 IonicContact OE1-NH2 2.69Å; E268-R272 PolarHBondContact OE1-NH2 3.48Å
269R97.7Very high97.7Very high189 Ų18947.9 Ų47.971%0.71325%0.246SC*.Hα-helixtrans-62.1-43.4172.2179.9-179.8-103-173.9-5112T265 A266 R272 T273T265-R269 PolarHBondContact O-N 2.86Å; T265-R269 VanDerWaalsContact O-N 3.16Å; A266-R269 PolarHBondContact O-N 3.24Å; R269-R272 PolarHBondContact O-N 2.9Å; R269-T273 PolarHBondContact O-N 2.82Å; R269-T273 PolarHBondContact O-OG1 3.4Å
270A98.4Very high97.7Very high2 Ų248.2 Ų48.22%0.01725%0.249CC..Hα-helixtrans-63.9-43.817700000111.2M237 A266 C267 R272 T273 L274 A280 I282 I297M237-A270 HydrophobicContact CE-CB 3.88Å; A266-A270 WeakPolarHBondContact O-CB 3.45Å; A266-A270 PolarHBondContact O-N 3.14Å; C267-A270 PolarHBondContact O-N 3.43Å; A270-R272 PolarHBondContact O-N 2.93Å; A270-T273 WeakPolarHBondContact O-CB 3.46Å; A270-T273 PolarHBondContact O-N 2.84Å; A270-T273 VanDerWaalsContact O-N 3.12Å; A270-L274 VanDerWaalsContact O-CG 3.3Å; A270-L274 WeakPolarHBondContact O-CG 3.39Å; A270-L274 PolarHBondContact O-N 3.43Å; A270-A280 HydrophobicContact CB-CB 3.97Å; A270-I282 HydrophobicContact CB-CD1 4.17Å; A270-I282 HydrophobicContact CB-CG1 3.97Å; A270-I297 HydrophobicContact CB-CG2 4.44Å
271K98.5Very high97.7Very high20 Ų2050.3 Ų50.39%0.08727%0.265CS..Hα-helixtrans-53.9-50.6173.5177.9-173.471.4-161.10111.3G230 F233 D234 M237 C267 E268 T273 L274 S275 F302G230-K271 PolarHBondContact O-NZ 3.46Å; F233-K271 HydrophobicContact CB-CD 4.15Å; D234-K271 VanDerWaalsContact OD1-CD 3.22Å; D234-K271 WeakPolarHBondContact OD1-CD 2.75Å; D234-K271 WeakPolarHBondContact OD1-CE 3.42Å; D234-K271 IonicContact OD1-NZ 3.9Å; D234-K271 PolarHBondContact OD1-NZ 3.11Å; D234-K271 IonicContact OD2-NZ 2.71Å; D234-K271 PolarHBondContact OD2-NZ 2.99Å; M237-K271 HydrophobicContact SD-CB 3.98Å; C267-K271 WeakPolarHBondContact O-CB 3.23Å; C267-K271 PolarHBondContact O-N 3.25Å; E268-K271 WeakPolarHBondContact O-CB 3.11Å; E268-K271 PolarHBondContact O-N 3.34Å; K271-T273 VanDerWaalsContact C-N 3.31Å; K271-T273 PolarHBondContact O-N 3.23Å; K271-L274 PolarHBondContact O-N 3.29Å; K271-S275 PolarHBondContact O-N 3.17Å; K271-F302 HydrophobicContact CD-CE2 4.4Å; K271-F302 HydrophobicContact CD-CZ 4.24Å; K271-F302 HydrophobicContact CG-CE2 4Å; K271-F302 HydrophobicContact CG-CZ 3.79Å
272R98.3Very high97.8Very high128 Ų12849.9 Ų49.948%0.48326%0.263SS..Hα-helixtrans-59.3-42.3176.7-70.1-177.2-175.3-138.74111.9Y15 E268 R269 A270 L274 S275Y15-R272 PolarHBondContact OH-NH2 2.81Å; E268-R272 WeakPolarHBondContact O-CG 2.93Å; E268-R272 PolarHBondContact O-N 3.1Å; E268-R272 IonicContact OE1-CZ 3.86Å; E268-R272 IonicContact OE1-NE 3.54Å; E268-R272 PolarHBondContact OE1-NE 2.73Å; E268-R272 IonicContact OE1-NH2 2.69Å; E268-R272 PolarHBondContact OE1-NH2 3.48Å; R269-R272 PolarHBondContact O-N 2.9Å; A270-R272 PolarHBondContact O-N 2.93Å; R272-L274 VanDerWaalsContact C-N 3.33Å; R272-L274 PolarHBondContact O-N 2.9Å; R272-S275 WeakPolarHBondContact O-CB 3.4Å; R272-S275 PolarHBondContact O-N 3.45Å
273T98.4Very high97.8Very high53 Ų5352.2 Ų52.233%0.32528%0.277SS..Hα-helixtrans-63.1-39.5177.7-55.50000111.6R269 A270 K271 S275 S276 S277 A280R269-T273 PolarHBondContact O-N 2.82Å; R269-T273 PolarHBondContact O-OG1 3.4Å; A270-T273 WeakPolarHBondContact O-CB 3.46Å; A270-T273 PolarHBondContact O-N 2.84Å; A270-T273 VanDerWaalsContact O-N 3.12Å; K271-T273 VanDerWaalsContact C-N 3.31Å; K271-T273 PolarHBondContact O-N 3.23Å; T273-S275 PolarHBondContact O-N 3.33Å; T273-S276 PolarHBondContact O-N 2.96Å; T273-S276 VanDerWaalsContact O-N 3.15Å; T273-S276 PolarHBondContact O-OG 3.05Å; T273-S277 WeakPolarHBondContact O-CB 3.47Å; T273-S277 PolarHBondContact O-N 3.4Å; T273-A280 HydrophobicContact CG2-CB 3.91Å
274L98.6Very high97.8Very high2 Ų252.8 Ų52.81%0.0128%0.28CS..Hα-helixtrans-66.8-17.1178.2-70.2176.9000113.8A270 K271 R272 S276 S277 A280 I297 R299 F302A270-L274 VanDerWaalsContact O-CG 3.3Å; A270-L274 WeakPolarHBondContact O-CG 3.39Å; A270-L274 PolarHBondContact O-N 3.43Å; K271-L274 PolarHBondContact O-N 3.29Å; R272-L274 VanDerWaalsContact C-N 3.33Å; R272-L274 PolarHBondContact O-N 2.9Å; L274-S276 VanDerWaalsContact C-N 3.28Å; L274-S276 PolarHBondContact O-N 3.01Å; L274-S277 CarbonylContact C-O 3.58Å; L274-S277 WeakPolarHBondContact CA-O 3.21Å; L274-A280 HydrophobicContact CD2-CB 3.98Å; L274-A280 HydrophobicContact CG-CB 4.02Å; L274-I297 HydrophobicContact CD1-CG1 4.42Å; L274-I297 HydrophobicContact CD1-CG2 4.06Å; L274-R299 HydrophobicContact CD2-CB 4.21Å; L274-R299 PolarHBondContact O-NE 2.87Å; L274-R299 PolarHBondContact O-NH2 2.81Å; L274-F302 HydrophobicContact CD1-CB 3.57Å; L274-F302 HydrophobicContact CD1-CD1 4.38Å; L274-F302 HydrophobicContact CD1-CG 3.95Å
275S97.6Very high97.8Very high31 Ų3156.7 Ų56.722%0.21730%0.302CS..THydrogen-bonded Turntrans-69.7-24.7173.4-62.80000113.1K271 R272 T273 P344K271-S275 PolarHBondContact O-N 3.17Å; R272-S275 WeakPolarHBondContact O-CB 3.4Å; R272-S275 PolarHBondContact O-N 3.45Å; T273-S275 PolarHBondContact O-N 3.33Å; S275-P344 VanDerWaalsContact O-CG 3.32Å; S275-P344 WeakPolarHBondContact O-CG 3.42Å
276S96.8Very high97.8Very high97 Ų9756.9 Ų56.968%0.67831%0.305SS*.THydrogen-bonded Turntrans-112-28.4175.459.60000113.2T273 L274 R299T273-S276 PolarHBondContact O-N 2.96Å; T273-S276 VanDerWaalsContact O-N 3.15Å; T273-S276 PolarHBondContact O-OG 3.05Å; L274-S276 VanDerWaalsContact C-N 3.28Å; L274-S276 PolarHBondContact O-N 3.01Å; S276-R299 PolarHBondContact O-NH2 3.1Å
277S97.8Very high97.8Very high50 Ų5056.3 Ų56.335%0.3530%0.299SS..SBendtrans-112.5155.8-175.5-57.10000112.5T273 L274 R299T273-S277 WeakPolarHBondContact O-CB 3.47Å; T273-S277 PolarHBondContact O-N 3.4Å; L274-S277 CarbonylContact C-O 3.58Å; L274-S277 WeakPolarHBondContact CA-O 3.21Å; S277-R299 PolarHBondContact O-NE 2.95Å; S277-R299 PolarHBondContact O-NH2 3.32Å
278T97.9Very high97.7Very high103 Ų10358.6 Ų58.663%0.63231%0.308SS*.SBendtrans-83.6-12.6179.351.40000113.4T298 R299T278-T298 CarbonylContact O-C 3.55Å; T278-T298 WeakPolarHBondContact O-CA 3.45Å; T278-R299 PolarHBondContact O-N 2.98Å
279Q98.1Very high97.7Very high105 Ų10563 Ų6349%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-147.2152.6177.7-173177.71.400109.8S296 I297 T298Q279-S296 PolarHBondContact NE2-OG 3.28Å; Q279-I297 CarbonylContact C-O 3.56Å; Q279-I297 WeakPolarHBondContact CA-O 3.49Å; Q279-I297 WeakPolarHBondContact CG-O 3.42Å; Q279-T298 HydrophobicContact CG-CG2 4.43Å
280A98.4Very high97.6Very high7 Ų756.6 Ų56.66%0.05832%0.322CS..EExtended strand (participates in β ladder)trans-137.7142172.400000110A270 T273 L274 S296 I297A270-A280 HydrophobicContact CB-CB 3.97Å; T273-A280 HydrophobicContact CG2-CB 3.91Å; L274-A280 HydrophobicContact CD2-CB 3.98Å; L274-A280 HydrophobicContact CG-CB 4.02Å; A280-S296 CarbonylContact O-C 3.58Å; A280-S296 VanDerWaalsContact O-CA 3.27Å; A280-S296 WeakPolarHBondContact O-CA 3.31Å; A280-S296 WeakPolarHBondContact O-CB 2.96Å; A280-I297 PolarHBondContact N-O 3.31Å; A280-I297 PolarHBondContact O-N 3.23Å
281S97.4Very high97.5Very high71 Ų7158.6 Ų58.650%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-86.7151.417163.10000111.2E283S281-E283 WeakPolarHBondContact CB-OE1 3.45Å; S281-E283 PolarHBondContact OG-OE1 3.16Å
282I97.8Very high97.5Very high2 Ų260.9 Ų60.91%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-124.7114.6170.4-66.7-179.4000106.3F241 L263 A266 A270 I284 F293 Y294 T295F241-I282 HydrophobicContact CD2-CD1 3.68Å; F241-I282 HydrophobicContact CE1-CD1 4.16Å; F241-I282 HydrophobicContact CE2-CD1 3.11Å; F241-I282 HydrophobicContact CG-CD1 4.39Å; F241-I282 HydrophobicContact CZ-CD1 3.35Å; L263-I282 HydrophobicContact CD1-CG2 4.45Å; A266-I282 HydrophobicContact CB-CG2 4.01Å; A270-I282 HydrophobicContact CB-CD1 4.17Å; A270-I282 HydrophobicContact CB-CG1 3.97Å; I282-I284 HydrophobicContact CG2-CD1 4.11Å; I282-I284 HydrophobicContact CG2-CG1 4.18Å; I282-F293 HydrophobicContact CG2-CD1 4.2Å; I282-F293 HydrophobicContact CG2-CE1 4.32Å; I282-Y294 WeakPolarHBondContact O-CA 3.45Å; I282-T295 HydrophobicContact CB-CG2 3.94Å; I282-T295 HydrophobicContact CG2-CG2 4.36Å; I282-T295 PolarHBondContact N-O 3.21Å; I282-T295 PolarHBondContact O-N 3.25Å
283E96.8Very high97.5Very high121 Ų12154.8 Ų54.857%0.56532%0.322SS*.EExtended strand (participates in β ladder)trans-132111.7-171.6-56.1178.7-158.900107.1S281 Y294S281-E283 WeakPolarHBondContact CB-OE1 3.45Å; S281-E283 PolarHBondContact OG-OE1 3.16Å; E283-Y294 HydrophobicContact CB-CD1 3.79Å; E283-Y294 HydrophobicContact CB-CE1 4.07Å; E283-Y294 HydrophobicContact CG-CD1 3.91Å
284I97.6Very high97.5Very high12 Ų1257.9 Ų57.96%0.06233%0.328CS..EExtended strand (participates in β ladder)trans-137.5105.3-177.6-46173.8000109.6R262 L263 A266 I282 L287 F293R262-I284 HydrophobicContact CB-CG2 4.43Å; R262-I284 VanDerWaalsContact NH2-CG2 3.33Å; L263-I284 HydrophobicContact CB-CD1 4.35Å; L263-I284 HydrophobicContact CD1-CD1 4.05Å; A266-I284 HydrophobicContact CB-CD1 3.66Å; A266-I284 HydrophobicContact CB-CG1 4Å; I282-I284 HydrophobicContact CG2-CD1 4.11Å; I282-I284 HydrophobicContact CG2-CG1 4.18Å; I284-L287 HydrophobicContact CB-CB 4.33Å; I284-L287 HydrophobicContact CB-CD1 4.46Å; I284-L287 HydrophobicContact CD1-CD1 4.09Å; I284-L287 HydrophobicContact CD1-CD2 4.45Å; I284-L287 HydrophobicContact CG2-CB 4.1Å; I284-L287 HydrophobicContact CG2-CD1 3.9Å; I284-F293 PolarHBondContact N-O 2.85Å; I284-F293 PolarHBondContact O-N 2.77Å
285D97.4Very high97.4Very high94 Ų9459 Ų5950%0.50334%0.335SS..EExtended strand (participates in β ladder)trans-66.7137.2177.8-51.7-16.3000110.9R262 L287 D292 Y294R262-D285 PolarHBondContact NH1-O 3.36Å; R262-D285 PolarHBondContact NH2-O 2.94Å; D285-L287 VanDerWaalsContact C-N 3.27Å; D285-L287 PolarHBondContact O-N 2.9Å; D285-D292 WeakPolarHBondContact CA-OD1 3.26Å; D285-Y294 PolarHBondContact OD1-OH 3.45Å
286S96.8Very high97.4Very high61 Ų6160 Ų6043%0.42734%0.343SS..EExtended strand (participates in β ladder)trans45.551.4177.7-169.60000112R262 Y288 G290 I291 D292R262-S286 PolarHBondContact NH1-O 3.4Å; S286-Y288 VanDerWaalsContact C-N 3.3Å; S286-Y288 PolarHBondContact O-N 2.99Å; S286-G290 WeakPolarHBondContact OG-CA 3.49Å; S286-I291 CarbonylContact C-O 3.51Å; S286-D292 PolarHBondContact N-OD1 3.22Å
287L97.4Very high97.5Very high7 Ų755.7 Ų55.74%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-60-43.8-178.2175.461.2000110.7F245 I253 A259 R262 L263 I284 D285 I291 F293F245-L287 HydrophobicContact CD2-CD2 3.94Å; F245-L287 HydrophobicContact CE2-CD2 4.03Å; I253-L287 HydrophobicContact CD1-CD2 4.09Å; A259-L287 HydrophobicContact CB-CD1 4.14Å; A259-L287 WeakPolarHBondContact CB-O 3.39Å; A259-L287 WeakPolarHBondContact O-CD1 3.26Å; R262-L287 HydrophobicContact CB-CD1 4.19Å; L263-L287 HydrophobicContact CB-CD1 4.49Å; I284-L287 HydrophobicContact CB-CB 4.33Å; I284-L287 HydrophobicContact CB-CD1 4.46Å; I284-L287 HydrophobicContact CD1-CD1 4.09Å; I284-L287 HydrophobicContact CD1-CD2 4.45Å; I284-L287 HydrophobicContact CG2-CB 4.1Å; I284-L287 HydrophobicContact CG2-CD1 3.9Å; D285-L287 VanDerWaalsContact C-N 3.27Å; D285-L287 PolarHBondContact O-N 2.9Å; L287-I291 PolarHBondContact N-O 3.2Å; L287-F293 HydrophobicContact CB-CB 4.03Å; L287-F293 HydrophobicContact CD2-CB 3.56Å; L287-F293 HydrophobicContact CD2-CD1 3.94Å; L287-F293 HydrophobicContact CD2-CG 3.88Å; L287-F293 HydrophobicContact CG-CB 4.44Å
288Y97.7Very high97.6Very high49 Ų4956.1 Ų56.119%0.19231%0.312CS..EExtended strand (participates in β ladder)trans-152.6129.9-178.7-174.5-104.9000111.1F245 K251 I253 N256 A259 S286 G290 I291F245-Y288 HydrophobicContact CE1-CD1 4.21Å; F245-Y288 HydrophobicContact CZ-CD1 4.49Å; K251-Y288 HydrophobicContact CB-CD1 4.19Å; K251-Y288 HydrophobicContact CB-CE1 4.11Å; K251-Y288 HydrophobicContact CD-CE1 4.35Å; I253-Y288 HydrophobicContact CB-CD2 4.49Å; I253-Y288 HydrophobicContact CG2-CD1 3.92Å; I253-Y288 HydrophobicContact CG2-CD2 3.96Å; I253-Y288 HydrophobicContact CG2-CG 3.56Å; N256-Y288 HydrophobicContact CB-CD2 4.02Å; N256-Y288 HydrophobicContact CB-CE2 3.78Å; A259-Y288 HydrophobicContact CB-CD2 4.33Å; S286-Y288 VanDerWaalsContact C-N 3.3Å; S286-Y288 PolarHBondContact O-N 2.99Å; Y288-G290 PolarHBondContact O-N 2.97Å; Y288-G290 VanDerWaalsContact O-N 3.15Å; Y288-I291 VanDerWaalsContact O-CB 3.25Å; Y288-I291 WeakPolarHBondContact O-CB 3.2Å; Y288-I291 WeakPolarHBondContact O-CG1 3.05Å; Y288-I291 PolarHBondContact O-N 2.96Å
289E95.6Very high97.6Very high119 Ų11953.8 Ų53.856%0.55629%0.292SS*.THydrogen-bonded Turntrans49.937.5178.9-64.4-177.816600114.6K251 I291K251-E289 WeakPolarHBondContact CD-OE2 3.5Å; K251-E289 WeakPolarHBondContact CE-OE2 3.33Å; K251-E289 IonicContact NZ-OE1 2.67Å; K251-E289 IonicContact NZ-OE2 3.66Å; K251-E289 PolarHBondContact NZ-OE2 2.9Å; E289-I291 PolarHBondContact O-N 2.97Å
290G96.1Very high97.6Very high54 Ų5452.1 Ų52.156%0.55730%0.296SS*.THydrogen-bonded Turntrans78.81.4-178.800000114.8S286 Y288S286-G290 WeakPolarHBondContact OG-CA 3.49Å; Y288-G290 PolarHBondContact O-N 2.97Å; Y288-G290 VanDerWaalsContact O-N 3.15Å
291I97.7Very high97.6Very high44 Ų4455.8 Ų55.823%0.22631%0.308CS..EExtended strand (participates in β ladder)trans-86119.9179.3-56.9175000109.3F245 H249 K251 S286 L287 Y288 E289F245-I291 HydrophobicContact CE2-CG2 4.07Å; F245-I291 HydrophobicContact CZ-CB 4.18Å; F245-I291 HydrophobicContact CZ-CD1 4.39Å; F245-I291 HydrophobicContact CZ-CG2 4.05Å; H249-I291 HydrophobicContact CB-CD1 4.19Å; H249-I291 WeakPolarHBondContact ND1-CG2 3.12Å; K251-I291 HydrophobicContact CG-CD1 4.45Å; S286-I291 CarbonylContact C-O 3.51Å; L287-I291 PolarHBondContact N-O 3.2Å; Y288-I291 VanDerWaalsContact O-CB 3.25Å; Y288-I291 WeakPolarHBondContact O-CB 3.2Å; Y288-I291 WeakPolarHBondContact O-CG1 3.05Å; Y288-I291 PolarHBondContact O-N 2.96Å; E289-I291 PolarHBondContact O-N 2.97Å
292D97.9Very high97.7Very high68 Ų6852.6 Ų52.636%0.36429%0.285SS..EExtended strand (participates in β ladder)trans-71.1144.6168.8-60-14.4000110.9D285 S286 Y294D285-D292 WeakPolarHBondContact CA-OD1 3.26Å; S286-D292 PolarHBondContact N-OD1 3.22Å; D292-Y294 HydrophobicContact CB-CD2 3.81Å; D292-Y294 HydrophobicContact CB-CE2 3.2Å; D292-Y294 WeakPolarHBondContact OD2-CE2 3.41Å; D292-Y294 PolarHBondContact OD2-OH 3.02Å
293F98.2Very high97.7Very high1 Ų154.7 Ų54.70%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-117.7101.5174.8-170.8-121.1000110.8F241 E244 F245 L263 I282 I284 L287 T295F241-F293 HydrophobicContact CB-CE1 4.09Å; F241-F293 HydrophobicContact CB-CZ 4.25Å; F241-F293 HydrophobicContact CD1-CE1 4.05Å; F241-F293 AromaticContact CD1-CZ 3.95Å; F241-F293 HydrophobicContact CD1-CZ 3.95Å; F241-F293 HydrophobicContact CG-CE1 4.28Å; F241-F293 HydrophobicContact CG-CZ 4.47Å; E244-F293 HydrophobicContact CG-CE2 4.42Å; E244-F293 HydrophobicContact CG-CZ 4.34Å; F245-F293 HydrophobicContact CB-CE2 4.12Å; F245-F293 HydrophobicContact CB-CZ 4.49Å; F245-F293 HydrophobicContact CD2-CB 4.21Å; F245-F293 AromaticContact CD2-CD2 3.48Å; F245-F293 HydrophobicContact CD2-CD2 3.48Å; F245-F293 VanDerWaalsContact CD2-CD2 3.48Å; F245-F293 AromaticContact CD2-CE2 3.94Å; F245-F293 HydrophobicContact CD2-CE2 3.94Å; F245-F293 AromaticContact CD2-CG 3.92Å; F245-F293 HydrophobicContact CD2-CG 3.92Å; F245-F293 HydrophobicContact CE2-CB 4.25Å; F245-F293 HydrophobicContact CE2-CD2 4.18Å; F245-F293 HydrophobicContact CE2-CG 4.45Å; F245-F293 HydrophobicContact CG-CD2 4.46Å; L263-F293 HydrophobicContact CD1-CD1 4.35Å; L263-F293 HydrophobicContact CD1-CE1 4.14Å; I282-F293 HydrophobicContact CG2-CD1 4.2Å; I282-F293 HydrophobicContact CG2-CE1 4.32Å; I284-F293 PolarHBondContact N-O 2.85Å; I284-F293 PolarHBondContact O-N 2.77Å; L287-F293 HydrophobicContact CB-CB 4.03Å; L287-F293 HydrophobicContact CD2-CB 3.56Å; L287-F293 HydrophobicContact CD2-CD1 3.94Å; L287-F293 HydrophobicContact CD2-CG 3.88Å; L287-F293 HydrophobicContact CG-CB 4.44Å; F293-T295 HydrophobicContact CD1-CG2 4.31Å; F293-T295 HydrophobicContact CE1-CG2 3.57Å; F293-T295 HydrophobicContact CE2-CG2 4.4Å; F293-T295 HydrophobicContact CZ-CG2 3.64Å
294Y97.4Very high97.8Very high118 Ų11854.6 Ų54.646%0.46330%0.295SS..EExtended strand (participates in β ladder)trans-111119.8173.4-55.1-77000109.8I282 E283 D285 D292I282-Y294 WeakPolarHBondContact O-CA 3.45Å; E283-Y294 HydrophobicContact CB-CD1 3.79Å; E283-Y294 HydrophobicContact CB-CE1 4.07Å; E283-Y294 HydrophobicContact CG-CD1 3.91Å; D285-Y294 PolarHBondContact OD1-OH 3.45Å; D292-Y294 HydrophobicContact CB-CD2 3.81Å; D292-Y294 HydrophobicContact CB-CE2 3.2Å; D292-Y294 WeakPolarHBondContact OD2-CE2 3.41Å; D292-Y294 PolarHBondContact OD2-OH 3.02Å
295T97.4Very high97.8Very high24 Ų2455.6 Ų55.615%0.14730%0.3CS..EExtended strand (participates in β ladder)trans-153.1-179.6175.7-164.10000110.7F241 E244 K248 I282 F293F241-T295 HydrophobicContact CD1-CG2 3.77Å; F241-T295 HydrophobicContact CE1-CG2 3.43Å; F241-T295 VanDerWaalsContact CE1-CG2 3.43Å; F241-T295 HydrophobicContact CZ-CG2 4.22Å; E244-T295 WeakPolarHBondContact OE1-CB 3.31Å; E244-T295 PolarHBondContact OE1-OG1 2.79Å; K248-T295 PolarHBondContact NZ-OG1 3.27Å; I282-T295 HydrophobicContact CB-CG2 3.94Å; I282-T295 HydrophobicContact CG2-CG2 4.36Å; I282-T295 PolarHBondContact N-O 3.21Å; I282-T295 PolarHBondContact O-N 3.25Å; F293-T295 HydrophobicContact CD1-CG2 4.31Å; F293-T295 HydrophobicContact CE1-CG2 3.57Å; F293-T295 HydrophobicContact CE2-CG2 4.4Å; F293-T295 HydrophobicContact CZ-CG2 3.64Å
296S97.8Very high97.9Very high54 Ų5451.1 Ų51.138%0.37828%0.276SS..EExtended strand (participates in β ladder)trans-144.7159.7173.568.50000111Q279 A280Q279-S296 PolarHBondContact NE2-OG 3.28Å; A280-S296 CarbonylContact O-C 3.58Å; A280-S296 VanDerWaalsContact O-CA 3.27Å; A280-S296 WeakPolarHBondContact O-CA 3.31Å; A280-S296 WeakPolarHBondContact O-CB 2.96Å
297I98.5Very high98Very high5 Ų549.4 Ų49.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-133.1139.7175.4-179.1162.3000110M237 F241 A270 L274 Q279 A280 R301 F302 L305M237-I297 HydrophobicContact CE-CD1 4.19Å; M237-I297 HydrophobicContact CE-CG2 4.12Å; F241-I297 HydrophobicContact CE2-CD1 4.29Å; F241-I297 HydrophobicContact CE2-CG2 4.44Å; F241-I297 HydrophobicContact CZ-CB 3.84Å; F241-I297 HydrophobicContact CZ-CD1 4.18Å; F241-I297 HydrophobicContact CZ-CG2 4.04Å; A270-I297 HydrophobicContact CB-CG2 4.44Å; L274-I297 HydrophobicContact CD1-CG1 4.42Å; L274-I297 HydrophobicContact CD1-CG2 4.06Å; Q279-I297 CarbonylContact C-O 3.56Å; Q279-I297 WeakPolarHBondContact CA-O 3.49Å; Q279-I297 WeakPolarHBondContact CG-O 3.42Å; A280-I297 PolarHBondContact N-O 3.31Å; A280-I297 PolarHBondContact O-N 3.23Å; I297-R301 HydrophobicContact CD1-CG 4.25Å; I297-R301 HydrophobicContact CG1-CB 4.07Å; I297-R301 HydrophobicContact CG1-CG 4.2Å; I297-F302 HydrophobicContact CD1-CB 4.16Å; I297-F302 HydrophobicContact CG1-CB 4.48Å; I297-L305 HydrophobicContact CD1-CD1 4.12Å
298T98.8Very high98Very high59 Ų5953 Ų5336%0.36229%0.285SS..EExtended strand (participates in β ladder)trans-90.2154.9173.265.50000110.4T278 Q279 A300 R301 F302T278-T298 CarbonylContact O-C 3.55Å; T278-T298 WeakPolarHBondContact O-CA 3.45Å; Q279-T298 HydrophobicContact CG-CG2 4.43Å; T298-A300 PolarHBondContact O-N 2.94Å; T298-R301 PolarHBondContact O-N 3.24Å; T298-R301 VanDerWaalsContact O-N 3.12Å; T298-R301 WeakPolarHBondContact OG1-CB 3.38Å; T298-R301 PolarHBondContact OG1-N 3.24Å; T298-F302 PolarHBondContact O-N 2.66Å
299R98.8Very high98Very high55 Ų5552.3 Ų52.321%0.20828%0.284CS..Hα-helixtrans-56-42173.3-174.5-172.5-63.9161.4-1.2110.9L274 S276 S277 T278 R301 F302 E303L274-R299 HydrophobicContact CD2-CB 4.21Å; L274-R299 PolarHBondContact O-NE 2.87Å; L274-R299 PolarHBondContact O-NH2 2.81Å; S276-R299 PolarHBondContact O-NH2 3.1Å; S277-R299 PolarHBondContact O-NE 2.95Å; S277-R299 PolarHBondContact O-NH2 3.32Å; T278-R299 PolarHBondContact O-N 2.98Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 3.25Å; R299-F302 WeakPolarHBondContact O-CB 3.44Å; R299-F302 PolarHBondContact O-N 2.79Å; R299-E303 WeakPolarHBondContact CD-OE1 3.3Å; R299-E303 HydrophobicContact CG-CG 4.3Å; R299-E303 WeakPolarHBondContact CG-OE1 3.42Å; R299-E303 WeakPolarHBondContact O-CB 3.42Å; R299-E303 WeakPolarHBondContact O-CG 3.34Å; R299-E303 PolarHBondContact O-N 2.66Å
300A98.6Very high98.1Very high69 Ų6946.7 Ų46.757%0.5726%0.258SS*.Hα-helixtrans-58.2-42.5177.500000112.3T298 E303 E304T298-A300 PolarHBondContact O-N 2.94Å; A300-E303 PolarHBondContact O-N 2.89Å; A300-E304 WeakPolarHBondContact O-CB 3.32Å; A300-E304 PolarHBondContact O-N 2.92Å
301R98.6Very high98.2Very high85 Ų8551.8 Ų51.832%0.32126%0.26SS..Hα-helixtrans-68.8-40.6177-177.958.8178.3176.97.1112I297 T298 R299 E303 E304 L305I297-R301 HydrophobicContact CD1-CG 4.25Å; I297-R301 HydrophobicContact CG1-CB 4.07Å; I297-R301 HydrophobicContact CG1-CG 4.2Å; T298-R301 PolarHBondContact O-N 3.24Å; T298-R301 VanDerWaalsContact O-N 3.12Å; T298-R301 WeakPolarHBondContact OG1-CB 3.38Å; T298-R301 PolarHBondContact OG1-N 3.24Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 3.25Å; R301-E303 VanDerWaalsContact C-N 3.34Å; R301-E304 VanDerWaalsContact CD-OE2 3.29Å; R301-E304 WeakPolarHBondContact CD-OE2 3.44Å; R301-E304 IonicContact CZ-OE2 3.81Å; R301-E304 IonicContact NE-OE2 3.6Å; R301-E304 IonicContact NH1-OE1 2.75Å; R301-E304 PolarHBondContact NH1-OE1 2.92Å; R301-E304 IonicContact NH1-OE2 2.7Å; R301-E304 PolarHBondContact NH1-OE2 2.99Å; R301-E304 PolarHBondContact O-N 2.9Å; R301-L305 HydrophobicContact CG-CD1 4.4Å; R301-L305 VanDerWaalsContact O-CG 3.26Å; R301-L305 WeakPolarHBondContact O-CG 3.21Å; R301-L305 PolarHBondContact O-N 3.13Å
302F98.8Very high98.2Very high4 Ų450.9 Ų50.92%0.01826%0.262CS..Hα-helixtrans-60.1-43.9173.4167.6-108.9000112.1F233 M237 K271 L274 I297 T298 R299 L305 N306 F310 I343F233-F302 HydrophobicContact CB-CE2 4.09Å; F233-F302 HydrophobicContact CB-CZ 4.22Å; M237-F302 HydrophobicContact CG-CD2 3.91Å; M237-F302 HydrophobicContact CG-CE2 4.29Å; M237-F302 HydrophobicContact SD-CD2 3.49Å; M237-F302 WeakPolarHBondContact SD-CD2 3.48Å; M237-F302 HydrophobicContact SD-CE2 3.74Å; K271-F302 HydrophobicContact CD-CE2 4.4Å; K271-F302 HydrophobicContact CD-CZ 4.24Å; K271-F302 HydrophobicContact CG-CE2 4Å; K271-F302 HydrophobicContact CG-CZ 3.79Å; L274-F302 HydrophobicContact CD1-CB 3.57Å; L274-F302 HydrophobicContact CD1-CD1 4.38Å; L274-F302 HydrophobicContact CD1-CG 3.95Å; I297-F302 HydrophobicContact CD1-CB 4.16Å; I297-F302 HydrophobicContact CG1-CB 4.48Å; T298-F302 PolarHBondContact O-N 2.66Å; R299-F302 WeakPolarHBondContact O-CB 3.44Å; R299-F302 PolarHBondContact O-N 2.79Å; F302-L305 PolarHBondContact O-N 3.2Å; F302-N306 WeakPolarHBondContact CD2-ND2 3.38Å; F302-N306 WeakPolarHBondContact CE2-ND2 3.05Å; F302-N306 PolarHBondContact O-N 3.37Å; F302-N306 PolarHBondContact O-ND2 2.76Å; F302-F310 HydrophobicContact CE1-CE2 4.19Å; F302-F310 AromaticContact CE1-CZ 3.69Å; F302-F310 HydrophobicContact CE1-CZ 3.69Å; F302-F310 AromaticContact CZ-CZ 3.73Å; F302-F310 HydrophobicContact CZ-CZ 3.73Å; F302-I343 HydrophobicContact CE1-CD1 4.39Å; F302-I343 HydrophobicContact CE1-CG2 4.11Å; F302-I343 HydrophobicContact CZ-CD1 4.17Å
303E98.6Very high98.2Very high46 Ų4647.7 Ų47.722%0.21525%0.245CC..Hα-helixtrans-64.6-38.7176.4-71.2177.6-168.600112.3R299 A300 R301 N306 A307 F310 K345R299-E303 WeakPolarHBondContact CD-OE1 3.3Å; R299-E303 HydrophobicContact CG-CG 4.3Å; R299-E303 WeakPolarHBondContact CG-OE1 3.42Å; R299-E303 WeakPolarHBondContact O-CB 3.42Å; R299-E303 WeakPolarHBondContact O-CG 3.34Å; R299-E303 PolarHBondContact O-N 2.66Å; A300-E303 PolarHBondContact O-N 2.89Å; R301-E303 VanDerWaalsContact C-N 3.34Å; E303-N306 CarbonylContact O-C 3.43Å; E303-N306 PolarHBondContact O-N 2.74Å; E303-A307 WeakPolarHBondContact O-CA 3.07Å; E303-A307 WeakPolarHBondContact O-CB 3.26Å; E303-A307 PolarHBondContact O-N 2.82Å; E303-F310 HydrophobicContact CG-CE2 4.32Å; E303-K345 HydrophobicContact CG-CB 3.78Å; E303-K345 HydrophobicContact CG-CG 4.02Å
304E98.4Very high98.2Very high119 Ų11949.1 Ų49.156%0.55625%0.253SS*.Hα-helixtrans-62.5-45.9175-172.5-163.2164.300111.8A300 R301 N306 A307A300-E304 WeakPolarHBondContact O-CB 3.32Å; A300-E304 PolarHBondContact O-N 2.92Å; R301-E304 VanDerWaalsContact CD-OE2 3.29Å; R301-E304 WeakPolarHBondContact CD-OE2 3.44Å; R301-E304 IonicContact CZ-OE2 3.81Å; R301-E304 IonicContact NE-OE2 3.6Å; R301-E304 IonicContact NH1-OE1 2.75Å; R301-E304 PolarHBondContact NH1-OE1 2.92Å; R301-E304 IonicContact NH1-OE2 2.7Å; R301-E304 PolarHBondContact NH1-OE2 2.99Å; R301-E304 PolarHBondContact O-N 2.9Å; E304-N306 PolarHBondContact O-N 3.42Å; E304-A307 PolarHBondContact O-N 2.87Å
305L98.6Very high98.1Very high33 Ų3348.5 Ų48.517%0.17326%0.257CS..Hα-helixtrans-62.2-22.5179.8-71.7172.3000113.7R236 H240 I297 R301 F302R236-L305 HydrophobicContact CB-CB 4.42Å; R236-L305 PolarHBondContact NH1-O 3.11Å; H240-L305 HydrophobicContact CB-CD1 3.92Å; H240-L305 HydrophobicContact CB-CD2 4.2Å; I297-L305 HydrophobicContact CD1-CD1 4.12Å; R301-L305 HydrophobicContact CG-CD1 4.4Å; R301-L305 VanDerWaalsContact O-CG 3.26Å; R301-L305 WeakPolarHBondContact O-CG 3.21Å; R301-L305 PolarHBondContact O-N 3.13Å; F302-L305 PolarHBondContact O-N 3.2Å
306N98.6Very high98.1Very high0 Ų048.1 Ų48.10%026%0.255CS..THydrogen-bonded Turntrans-119.110.8-175.1-66.4-71.6000112.9F233 R236 F302 E303 E304 D308 L309 F310F233-N306 WeakPolarHBondContact CA-OD1 3.49Å; F233-N306 HydrophobicContact CD1-CB 4.41Å; R236-N306 WeakPolarHBondContact CB-OD1 3.33Å; R236-N306 WeakPolarHBondContact CG-OD1 3.21Å; F302-N306 WeakPolarHBondContact CD2-ND2 3.38Å; F302-N306 WeakPolarHBondContact CE2-ND2 3.05Å; F302-N306 PolarHBondContact O-N 3.37Å; F302-N306 PolarHBondContact O-ND2 2.76Å; E303-N306 CarbonylContact O-C 3.43Å; E303-N306 PolarHBondContact O-N 2.74Å; E304-N306 PolarHBondContact O-N 3.42Å; N306-D308 VanDerWaalsContact C-N 3.26Å; N306-D308 PolarHBondContact O-N 3.09Å; N306-L309 PolarHBondContact O-N 3.49Å; N306-L309 VanDerWaalsContact O-N 3.13Å; N306-F310 HydrophobicContact CB-CD1 4.01Å; N306-F310 HydrophobicContact CB-CD2 4.08Å; N306-F310 HydrophobicContact CB-CE1 3.63Å; N306-F310 HydrophobicContact CB-CE2 3.71Å; N306-F310 HydrophobicContact CB-CG 4.23Å; N306-F310 HydrophobicContact CB-CZ 3.46Å; N306-F310 VanDerWaalsContact CB-CZ 3.46Å; N306-F310 VanDerWaalsContact O-CG 3.3Å; N306-F310 WeakPolarHBondContact O-CG 3.08Å; N306-F310 PolarHBondContact O-N 3.27Å
307A98.2Very high98.1Very high25 Ų2545.5 Ų45.521%0.20724%0.237CC..Hα-helixtrans-61.1-34.7-169.300000113.2E303 E304 R311E303-A307 WeakPolarHBondContact O-CA 3.07Å; E303-A307 WeakPolarHBondContact O-CB 3.26Å; E303-A307 PolarHBondContact O-N 2.82Å; E304-A307 PolarHBondContact O-N 2.87Å; A307-R311 WeakPolarHBondContact O-CB 3.38Å; A307-R311 VanDerWaalsContact O-CG 3.24Å; A307-R311 WeakPolarHBondContact O-CG 3.38Å; A307-R311 PolarHBondContact O-N 3.1Å
308D97.8Very high98.1Very high83 Ų8349.2 Ų49.244%0.44425%0.254SS..Hα-helixtrans-66.7-50.8174.259.6-50.5000111.5R236 N306 F310 R311 G312R236-D308 IonicContact CZ-OD1 3.58Å; R236-D308 IonicContact CZ-OD2 3.66Å; R236-D308 IonicContact NH1-OD1 3.24Å; R236-D308 PolarHBondContact NH1-OD1 3.33Å; R236-D308 IonicContact NH1-OD2 3.54Å; R236-D308 PolarHBondContact NH1-OD2 2.76Å; R236-D308 IonicContact NH2-OD1 2.79Å; R236-D308 IonicContact NH2-OD2 2.74Å; R236-D308 PolarHBondContact NH2-OD2 3.37Å; N306-D308 VanDerWaalsContact C-N 3.26Å; N306-D308 PolarHBondContact O-N 3.09Å; D308-F310 PolarHBondContact O-N 3.13Å; D308-R311 PolarHBondContact O-N 3.45Å; D308-G312 PolarHBondContact O-N 2.87Å
309L97.8Very high97.9Very high33 Ų3348.5 Ų48.517%0.17325%0.246CC..Hα-helixtrans-62.9-42.8-179.6-61.1-178.8000111.8L228 D232 F233 R236 N306 G312 T313L228-L309 HydrophobicContact CD1-CB 4.13Å; L228-L309 HydrophobicContact CD1-CD2 4.09Å; L228-L309 HydrophobicContact CD1-CG 4.49Å; D232-L309 HydrophobicContact CB-CD1 4.01Å; F233-L309 HydrophobicContact CD1-CB 4.43Å; F233-L309 HydrophobicContact CD1-CD1 3.92Å; F233-L309 HydrophobicContact CE1-CB 3.88Å; F233-L309 HydrophobicContact CE1-CD1 4.03Å; R236-L309 HydrophobicContact CG-CD1 4.31Å; N306-L309 PolarHBondContact O-N 3.49Å; N306-L309 VanDerWaalsContact O-N 3.13Å; L309-G312 PolarHBondContact O-N 2.87Å; L309-T313 PolarHBondContact O-N 2.95Å
310F98.5Very high97.8Very high2 Ų245.9 Ų45.91%0.00924%0.236CC..Hα-helixtrans-64.1-42.2178.2-66.2-12000112.1F233 F302 E303 N306 D308 T313 I343 K345 I346 L349F233-F310 HydrophobicContact CD1-CD1 4.32Å; F233-F310 AromaticContact CD1-CE1 3.69Å; F233-F310 HydrophobicContact CD1-CE1 3.69Å; F233-F310 HydrophobicContact CD2-CE1 4.02Å; F233-F310 AromaticContact CE1-CD1 3.8Å; F233-F310 HydrophobicContact CE1-CD1 3.8Å; F233-F310 AromaticContact CE1-CE1 3.56Å; F233-F310 HydrophobicContact CE1-CE1 3.56Å; F233-F310 AromaticContact CE2-CE1 3.89Å; F233-F310 HydrophobicContact CE2-CE1 3.89Å; F233-F310 AromaticContact CG-CE1 3.95Å; F233-F310 HydrophobicContact CG-CE1 3.95Å; F233-F310 AromaticContact CZ-CD1 3.93Å; F233-F310 HydrophobicContact CZ-CD1 3.93Å; F233-F310 AromaticContact CZ-CE1 3.67Å; F233-F310 HydrophobicContact CZ-CE1 3.67Å; F302-F310 HydrophobicContact CE1-CE2 4.19Å; F302-F310 AromaticContact CE1-CZ 3.69Å; F302-F310 HydrophobicContact CE1-CZ 3.69Å; F302-F310 AromaticContact CZ-CZ 3.73Å; F302-F310 HydrophobicContact CZ-CZ 3.73Å; E303-F310 HydrophobicContact CG-CE2 4.32Å; N306-F310 HydrophobicContact CB-CD1 4.01Å; N306-F310 HydrophobicContact CB-CD2 4.08Å; N306-F310 HydrophobicContact CB-CE1 3.63Å; N306-F310 HydrophobicContact CB-CE2 3.71Å; N306-F310 HydrophobicContact CB-CG 4.23Å; N306-F310 HydrophobicContact CB-CZ 3.46Å; N306-F310 VanDerWaalsContact CB-CZ 3.46Å; N306-F310 VanDerWaalsContact O-CG 3.3Å; N306-F310 WeakPolarHBondContact O-CG 3.08Å; N306-F310 PolarHBondContact O-N 3.27Å; D308-F310 PolarHBondContact O-N 3.13Å; F310-T313 PolarHBondContact O-N 3.37Å; F310-T313 PolarHBondContact O-OG1 2.96Å; F310-I343 HydrophobicContact CE1-CD1 4.27Å; F310-I343 HydrophobicContact CE2-CG2 4.28Å; F310-I343 HydrophobicContact CZ-CD1 4.28Å; F310-I343 HydrophobicContact CZ-CG2 4.05Å; F310-K345 HydrophobicContact CD2-CB 4.05Å; F310-K345 HydrophobicContact CD2-CG 3.69Å; F310-K345 HydrophobicContact CE2-CB 4.12Å; F310-K345 HydrophobicContact CE2-CG 4.21Å; F310-I346 HydrophobicContact CB-CD1 3.92Å; F310-I346 HydrophobicContact CD1-CD1 3.57Å; F310-I346 HydrophobicContact CD1-CG1 4.25Å; F310-I346 HydrophobicContact CE1-CD1 4.24Å; F310-I346 HydrophobicContact CE1-CG1 4.48Å; F310-I346 HydrophobicContact CG-CD1 3.83Å; F310-L349 HydrophobicContact CB-CD1 3.79Å
311R97.5Very high97.7Very high160 Ų16043.1 Ų43.160%0.60421%0.212SC*.Hα-helixtrans-66.7-38.3175.4-73.4177.9-169.2127.7-2.3111.9A307 D308 T313 L314A307-R311 WeakPolarHBondContact O-CB 3.38Å; A307-R311 VanDerWaalsContact O-CG 3.24Å; A307-R311 WeakPolarHBondContact O-CG 3.38Å; A307-R311 PolarHBondContact O-N 3.1Å; D308-R311 PolarHBondContact O-N 3.45Å; R311-T313 PolarHBondContact O-N 3.44Å; R311-T313 VanDerWaalsContact O-N 3.13Å; R311-L314 WeakPolarHBondContact O-CB 3.24Å; R311-L314 PolarHBondContact O-N 3.2Å
312G97.1Very high97.7Very high26 Ų2646 Ų4627%0.26822%0.223SC..Hα-helixtrans-57.4-24.6176.900000113.9D308 L309 L314 D315 P316D308-G312 PolarHBondContact O-N 2.87Å; L309-G312 PolarHBondContact O-N 2.87Å; G312-L314 PolarHBondContact O-N 2.98Å; G312-L314 VanDerWaalsContact O-N 3.15Å; G312-D315 PolarHBondContact O-N 2.94Å; G312-P316 VanDerWaalsContact O-CD 3.23Å; G312-P316 WeakPolarHBondContact O-CD 3.46Å
313T98.1Very high97.4Very high1 Ų147.7 Ų47.71%0.00623%0.232CC..THydrogen-bonded Turntrans-63-18.7174.267.70000114F198 L200 F205 L228 L309 F310 R311 V317 I346F198-T313 HydrophobicContact CZ-CG2 4.49Å; L200-T313 HydrophobicContact CD2-CG2 4.42Å; F205-T313 HydrophobicContact CD1-CG2 4.49Å; F205-T313 HydrophobicContact CE1-CG2 4.31Å; F205-T313 WeakPolarHBondContact CE1-O 3.38Å; F205-T313 HydrophobicContact CZ-CG2 4.45Å; F205-T313 WeakPolarHBondContact CZ-O 3.45Å; L228-T313 HydrophobicContact CD2-CG2 3.96Å; L309-T313 PolarHBondContact O-N 2.95Å; F310-T313 PolarHBondContact O-N 3.37Å; F310-T313 PolarHBondContact O-OG1 2.96Å; R311-T313 PolarHBondContact O-N 3.44Å; R311-T313 VanDerWaalsContact O-N 3.13Å; T313-V317 WeakPolarHBondContact O-CG2 3.14Å; T313-I346 HydrophobicContact CG2-CD1 4.13Å
314L98.3Very high97.3Very high31 Ų3146.3 Ų46.316%0.16223%0.229CC..Hα-helixtrans-80.4-21.6178.9-61.1-179.7000112.8R311 G312 V317 E318 F353R311-L314 WeakPolarHBondContact O-CB 3.24Å; R311-L314 PolarHBondContact O-N 3.2Å; G312-L314 PolarHBondContact O-N 2.98Å; G312-L314 VanDerWaalsContact O-N 3.15Å; L314-V317 WeakPolarHBondContact O-CB 3.46Å; L314-V317 PolarHBondContact O-N 2.78Å; L314-E318 PolarHBondContact O-N 2.92Å; L314-F353 HydrophobicContact CB-CD2 4.46Å; L314-F353 HydrophobicContact CD1-CD2 4.24Å; L314-F353 HydrophobicContact CD2-CB 4.01Å; L314-F353 HydrophobicContact CD2-CD2 4.21Å; L314-F353 HydrophobicContact CD2-CG 4.18Å
315D96.7Very high97.2Very high105 Ų10549.4 Ų49.456%0.56124%0.24SC*.Hα-helixtrans-66.4-44.7-177.8-59.3-22.8000111.5G312 V317 E318 K319G312-D315 PolarHBondContact O-N 2.94Å; D315-V317 VanDerWaalsContact C-N 3.31Å; D315-V317 PolarHBondContact O-N 2.86Å; D315-E318 PolarHBondContact O-N 2.83Å; D315-K319 WeakPolarHBondContact O-CB 3.42Å; D315-K319 PolarHBondContact O-N 2.8Å
316P96.1Very high97.2Very high15 Ų1549.1 Ų49.110%0.09724%0.239CC..Hα-helixtrans-63-33.7171.2-2839.9000113.7F205 V207 A223 G312 K319 A320F205-P316 HydrophobicContact CD1-CB 4.41Å; F205-P316 HydrophobicContact CD1-CG 3.97Å; F205-P316 HydrophobicContact CE1-CB 3.77Å; F205-P316 HydrophobicContact CE1-CG 3.58Å; V207-P316 HydrophobicContact CG2-CB 4.11Å; A223-P316 HydrophobicContact CB-CB 4.05Å; G312-P316 VanDerWaalsContact O-CD 3.23Å; G312-P316 WeakPolarHBondContact O-CD 3.46Å; P316-K319 PolarHBondContact O-N 3.46Å; P316-A320 WeakPolarHBondContact O-CB 3.44Å; P316-A320 PolarHBondContact O-N 3.39Å
317V98.1Very high97.1Very high0 Ų054.5 Ų54.50%027%0.267CS..Hα-helixtrans-62.7-47.3175.4177.50000110.9L196 F198 V207 T313 L314 D315 A320 L321 L350 F353 F354L196-V317 HydrophobicContact CD1-CG1 4.05Å; F198-V317 HydrophobicContact CD2-CG2 3.84Å; F198-V317 HydrophobicContact CE2-CG2 3.8Å; V207-V317 HydrophobicContact CG1-CG2 4.28Å; V207-V317 HydrophobicContact CG2-CG2 3.78Å; T313-V317 WeakPolarHBondContact O-CG2 3.14Å; L314-V317 WeakPolarHBondContact O-CB 3.46Å; L314-V317 PolarHBondContact O-N 2.78Å; D315-V317 VanDerWaalsContact C-N 3.31Å; D315-V317 PolarHBondContact O-N 2.86Å; V317-A320 PolarHBondContact O-N 2.88Å; V317-L321 HydrophobicContact CG1-CD1 4.43Å; V317-L321 PolarHBondContact O-N 3.25Å; V317-L321 VanDerWaalsContact O-N 3.1Å; V317-L350 HydrophobicContact CG1-CD1 4.42Å; V317-L350 HydrophobicContact CG2-CD1 4.14Å; V317-F353 HydrophobicContact CB-CE1 4.49Å; V317-F353 HydrophobicContact CG1-CD1 3.94Å; V317-F353 HydrophobicContact CG1-CE1 3.5Å; V317-F353 VanDerWaalsContact CG1-CE1 3.5Å; V317-F353 HydrophobicContact CG1-CZ 4.07Å; V317-F354 HydrophobicContact CG1-CE2 3.76Å; V317-F354 HydrophobicContact CG1-CZ 3.89Å
318E97.8Very high97.1Very high82 Ų8256.9 Ų56.938%0.38327%0.273SS..Hα-helixtrans-64.9-41.3176.7-165.5-168.616300111.6L314 D315 L321 R322 F353L314-E318 PolarHBondContact O-N 2.92Å; D315-E318 PolarHBondContact O-N 2.83Å; E318-L321 PolarHBondContact O-N 3.43Å; E318-R322 WeakPolarHBondContact O-CG 3.39Å; E318-R322 PolarHBondContact O-N 2.75Å; E318-R322 IonicContact OE1-CZ 2.8Å; E318-R322 IonicContact OE1-NH1 2.71Å; E318-R322 PolarHBondContact OE1-NH1 3.19Å; E318-R322 IonicContact OE2-NH1 2.8Å; E318-F353 HydrophobicContact CB-CZ 4.23Å
319K94.7Very high97Very high44 Ų4458.1 Ų58.119%0.19129%0.288CS..Hα-helixtrans-60.3-46.9176.4-173.7-178.9173.7-169.80111.6Y149 A223 D315 P316 R322 D323Y149-K319 PolarHBondContact OH-NZ 2.87Å; Y149-K319 VanDerWaalsContact OH-NZ 3.11Å; A223-K319 HydrophobicContact CB-CB 4.18Å; A223-K319 HydrophobicContact CB-CD 4.01Å; A223-K319 HydrophobicContact CB-CG 4.23Å; D315-K319 WeakPolarHBondContact O-CB 3.42Å; D315-K319 PolarHBondContact O-N 2.8Å; P316-K319 PolarHBondContact O-N 3.46Å; K319-R322 PolarHBondContact O-N 2.89Å; K319-D323 WeakPolarHBondContact O-CB 3.41Å; K319-D323 PolarHBondContact O-N 2.94Å
320A96.2Very high97Very high0 Ų060.3 Ų60.30%030%0.298CS..Hα-helixtrans-59.6-47.8177.700000111.2V207 I209 S221 A223 P316 V317 R322 D323 A324V207-A320 HydrophobicContact CG1-CB 3.97Å; I209-A320 VanDerWaalsContact CD1-C 3.5Å; I209-A320 HydrophobicContact CD1-CB 3.9Å; I209-A320 HydrophobicContact CG1-CB 4.15Å; S221-A320 PolarHBondContact OG-O 3.14Å; A223-A320 HydrophobicContact CB-CB 4.38Å; P316-A320 WeakPolarHBondContact O-CB 3.44Å; P316-A320 PolarHBondContact O-N 3.39Å; V317-A320 PolarHBondContact O-N 2.88Å; A320-R322 PolarHBondContact O-N 3.17Å; A320-D323 PolarHBondContact O-N 3.18Å; A320-A324 WeakPolarHBondContact O-CB 3.46Å; A320-A324 PolarHBondContact O-N 2.79Å
321L98.1Very high97Very high11 Ų1160.2 Ų60.26%0.05830%0.297CS..Hα-helixtrans-57.7-46177.2-76168.1000112.8I209 V317 E318 D323 A324 K325 L326 K328 I331 F353 F354I209-L321 HydrophobicContact CD1-CB 4.4Å; I209-L321 HydrophobicContact CD1-CD2 3.75Å; I209-L321 HydrophobicContact CD1-CG 3.97Å; V317-L321 HydrophobicContact CG1-CD1 4.43Å; V317-L321 PolarHBondContact O-N 3.25Å; V317-L321 VanDerWaalsContact O-N 3.1Å; E318-L321 PolarHBondContact O-N 3.43Å; L321-D323 VanDerWaalsContact C-N 3.35Å; L321-D323 PolarHBondContact O-N 3.41Å; L321-A324 PolarHBondContact O-N 3.14Å; L321-K325 PolarHBondContact O-N 3.47Å; L321-L326 PolarHBondContact O-N 2.78Å; L321-K328 HydrophobicContact CD1-CG 3.93Å; L321-I331 HydrophobicContact CD2-CD1 3.83Å; L321-I331 HydrophobicContact CD2-CG1 3.68Å; L321-F353 HydrophobicContact CD1-CE1 3.68Å; L321-F353 HydrophobicContact CD1-CZ 4.13Å; L321-F354 HydrophobicContact CD1-CE1 4.15Å; L321-F354 HydrophobicContact CD1-CZ 4.01Å; L321-F354 HydrophobicContact CD2-CE1 4.49Å
322R96.9Very high96.9Very high146 Ų14656 Ų5655%0.55129%0.285SS*.Hα-helixtrans-62.2-42.8177.7-72.3-175.3-58.5-1412.4111.9E318 K319 A320 K325E318-R322 WeakPolarHBondContact O-CG 3.39Å; E318-R322 PolarHBondContact O-N 2.75Å; E318-R322 IonicContact OE1-CZ 2.8Å; E318-R322 IonicContact OE1-NH1 2.71Å; E318-R322 PolarHBondContact OE1-NH1 3.19Å; E318-R322 IonicContact OE2-NH1 2.8Å; K319-R322 PolarHBondContact O-N 2.89Å; A320-R322 PolarHBondContact O-N 3.17Å; R322-K325 PolarHBondContact O-N 3.49Å; R322-K325 VanDerWaalsContact O-N 3.17Å
323D93.4Very high96.9Very high39 Ų3955.8 Ų55.821%0.20928%0.277CS..Hα-helixtrans-69.1-39.6-179.5-76.7-1.8000112.1K319 A320 L321 K325 R416 N417K319-D323 WeakPolarHBondContact O-CB 3.41Å; K319-D323 PolarHBondContact O-N 2.94Å; A320-D323 PolarHBondContact O-N 3.18Å; L321-D323 VanDerWaalsContact C-N 3.35Å; L321-D323 PolarHBondContact O-N 3.41Å; D323-K325 PolarHBondContact O-N 3.04Å; D323-R416 VanDerWaalsContact CG-NH2 3.27Å; D323-R416 IonicContact OD1-CZ 2.7Å; D323-R416 IonicContact OD1-NE 3.99Å; D323-R416 IonicContact OD1-NH2 3.9Å; D323-R416 PolarHBondContact OD1-NH2 3.16Å; D323-R416 IonicContact OD2-CZ 3.41Å; D323-R416 VanDerWaalsContact OD2-CZ 3.23Å; D323-R416 IonicContact OD2-NE 3.89Å; D323-R416 PolarHBondContact OD2-NE 2.9Å; D323-R416 IonicContact OD2-NH2 3.08Å; D323-R416 PolarHBondContact OD2-NH2 2.82Å; D323-N417 WeakPolarHBondContact CB-ND2 3.02Å; D323-N417 PolarHBondContact OD2-ND2 2.85Å; D323-N417 VanDerWaalsContact OD2-ND2 3.07Å
324A96.4Very high96.9Very high18 Ų1855.8 Ų55.815%0.14928%0.277CS..Hα-helixtrans-69.9-14.1172.500000113I209 K220 A320 L321 L326I209-A324 HydrophobicContact CB-CB 4.34Å; I209-A324 HydrophobicContact CD1-CB 4.01Å; I209-A324 HydrophobicContact CG2-CB 4.29Å; K220-A324 HydrophobicContact CB-CB 4.01Å; A320-A324 WeakPolarHBondContact O-CB 3.46Å; A320-A324 PolarHBondContact O-N 2.79Å; L321-A324 PolarHBondContact O-N 3.14Å; A324-L326 VanDerWaalsContact C-N 3.27Å; A324-L326 HydrophobicContact CB-CB 4.37Å; A324-L326 HydrophobicContact CB-CD1 4.04Å; A324-L326 HydrophobicContact CB-CG 4.1Å; A324-L326 PolarHBondContact O-N 3.26Å
325K97.1Very high96.8Very high184 Ų18454.3 Ų54.380%0.827%0.269SS*.THydrogen-bonded Turntrans56.341.7-173-53.5174-176.8171.70112.1L321 R322 D323L321-K325 PolarHBondContact O-N 3.47Å; R322-K325 PolarHBondContact O-N 3.49Å; R322-K325 VanDerWaalsContact O-N 3.17Å; D323-K325 PolarHBondContact O-N 3.04Å
326L97.3Very high96.9Very high27 Ų2749.8 Ų49.814%0.14125%0.245CC..  trans-118136.5179.9-68.1175.2000110.8N194 I209 L321 A324 Q330 I331N194-L326 HydrophobicContact CB-CD1 4.12Å; I209-L326 HydrophobicContact CG2-CD1 3.9Å; L321-L326 PolarHBondContact O-N 2.78Å; A324-L326 VanDerWaalsContact C-N 3.27Å; A324-L326 HydrophobicContact CB-CB 4.37Å; A324-L326 HydrophobicContact CB-CD1 4.04Å; A324-L326 HydrophobicContact CB-CG 4.1Å; A324-L326 PolarHBondContact O-N 3.26Å; L326-Q330 HydrophobicContact CD2-CB 4.15Å; L326-I331 HydrophobicContact CD1-CD1 4.31Å
327D97.1Very high96.9Very high113 Ų11349.1 Ų49.160%0.60424%0.24SC*.  trans-76.4155.9168.4-71.2-40.7000110.9S329 Q330D327-S329 PolarHBondContact O-N 3.27Å; D327-S329 VanDerWaalsContact O-N 3.11Å; D327-Q330 HydrophobicContact CB-CG 4.41Å; D327-Q330 WeakPolarHBondContact O-CB 3.36Å; D327-Q330 PolarHBondContact O-N 2.87Å
328K97.3Very high96.9Very high74 Ų7449.5 Ų49.532%0.32224%0.244SC..G310 helixtrans-53.3-36.2179.3-64179.8177.7-166.30113.1L321 Q330 I331 F353 F354L321-K328 HydrophobicContact CD1-CG 3.93Å; K328-Q330 PolarHBondContact O-N 2.92Å; K328-I331 PolarHBondContact O-N 2.94Å; K328-F353 HydrophobicContact CD-CD1 4.4Å; K328-F353 HydrophobicContact CD-CE1 4.16Å; K328-F353 VanDerWaalsContact CD-O 3.28Å; K328-F353 WeakPolarHBondContact CD-O 3.3Å; K328-F353 VanDerWaalsContact CE-CZ 3.42Å; K328-F353 WeakPolarHBondContact CE-O 3.46Å; K328-F353 HydrophobicContact CG-CE1 4.36Å; K328-F353 PolarHBondContact NZ-O 3.35Å; K328-F354 HydrophobicContact CB-CD1 3.95Å; K328-F354 HydrophobicContact CB-CE1 4.11Å; K328-F354 HydrophobicContact CG-CD1 4.29Å; K328-F354 HydrophobicContact CG-CE1 4.2Å
329S96.9Very high96.8Very high110 Ų11047.1 Ų47.177%0.76924%0.242SC*.G310 helixtrans-69.2-19.7179.552.20000113.7D327D327-S329 PolarHBondContact O-N 3.27Å; D327-S329 VanDerWaalsContact O-N 3.11Å
330Q97.4Very high97Very high79 Ų7945.5 Ų45.537%0.36924%0.236SC..G310 helixtrans-86-9.5179.1-60.8178.9-86.500112.8N194 L326 D327 K328 H332N194-Q330 WeakPolarHBondContact CB-O 3.38Å; N194-Q330 PolarHBondContact ND2-O 2.7Å; L326-Q330 HydrophobicContact CD2-CB 4.15Å; D327-Q330 HydrophobicContact CB-CG 4.41Å; D327-Q330 WeakPolarHBondContact O-CB 3.36Å; D327-Q330 PolarHBondContact O-N 2.87Å; K328-Q330 PolarHBondContact O-N 2.92Å; Q330-H332 PolarHBondContact O-CE1 3Å; Q330-H332 PolarHBondContact O-N 2.99Å; Q330-H332 PolarHBondContact O-ND1 3.15Å; Q330-H332 VanDerWaalsContact O-ND1 3.1Å
331I98Very high97.1Very high0 Ų045.7 Ų45.70%024%0.237CC..  trans-76.9119.7171-58.1-54.8000108.3N194 L196 I209 L321 L326 K328 D333 I334 F354 K357N194-I331 HydrophobicContact CB-CD1 4.34Å; L196-I331 HydrophobicContact CB-CG2 3.83Å; I209-I331 HydrophobicContact CD1-CD1 4.22Å; I209-I331 HydrophobicContact CG1-CD1 4.46Å; I209-I331 HydrophobicContact CG2-CD1 3.95Å; L321-I331 HydrophobicContact CD2-CD1 3.83Å; L321-I331 HydrophobicContact CD2-CG1 3.68Å; L326-I331 HydrophobicContact CD1-CD1 4.31Å; K328-I331 PolarHBondContact O-N 2.94Å; I331-D333 WeakPolarHBondContact CG2-O 3.14Å; I331-I334 HydrophobicContact CG2-CG1 4Å; I331-F354 HydrophobicContact CB-CE1 4.15Å; I331-F354 HydrophobicContact CG1-CE1 3.88Å; I331-F354 HydrophobicContact CG2-CE1 4.47Å; I331-K357 WeakPolarHBondContact O-CE 3.41Å; I331-K357 PolarHBondContact O-NZ 3.45Å
332H96.2Very high97Very high72 Ų7250.8 Ų50.833%0.33326%0.256SS..  trans-85.6-41.5-176.4-64.183.2000111.9R193 N194 Q330 K357R193-H332 HydrophobicContact CB-CB 4.3Å; R193-H332 HydrophobicContact CG-CB 4.4Å; N194-H332 PolarHBondContact N-ND1 3.37Å; N194-H332 WeakPolarHBondContact O-CB 3.29Å; N194-H332 PolarHBondContact O-N 2.89Å; Q330-H332 PolarHBondContact O-CE1 3Å; Q330-H332 PolarHBondContact O-N 2.99Å; Q330-H332 PolarHBondContact O-ND1 3.15Å; Q330-H332 VanDerWaalsContact O-ND1 3.1Å; H332-K357 VanDerWaalsContact C-CE 3.5Å; H332-K357 VanDerWaalsContact C-NZ 3.3Å; H332-K357 WeakPolarHBondContact O-CE 3.43Å; H332-K357 PolarHBondContact O-NZ 2.82Å
333D96.1Very high97.1Very high21 Ų2144 Ų4411%0.11223%0.231CC..EExtended strand (participates in β ladder)trans-135.8145.1-179.9-62.2-77000110.6Y183 R193 V195 L196 I331Y183-D333 WeakPolarHBondContact OH-CB 3.29Å; Y183-D333 PolarHBondContact OH-OD1 3.33Å; Y183-D333 PolarHBondContact OH-OD2 3.35Å; R193-D333 IonicContact CZ-OD2 2.76Å; R193-D333 IonicContact NE-OD2 3.91Å; R193-D333 PolarHBondContact NE-OD2 2.87Å; R193-D333 IonicContact NH2-OD1 3.99Å; R193-D333 PolarHBondContact NH2-OD1 2.74Å; R193-D333 IonicContact NH2-OD2 3.81Å; R193-D333 PolarHBondContact NH2-OD2 3.48Å; V195-D333 WeakPolarHBondContact CA-O 3.31Å; V195-D333 HydrophobicContact CG1-CB 4.21Å; V195-D333 HydrophobicContact CG2-CB 4.3Å; L196-D333 PolarHBondContact N-O 3.33Å; I331-D333 WeakPolarHBondContact CG2-O 3.14Å
334I98.1Very high97.4Very high0 Ų044.1 Ų44.10%023%0.233CC..EExtended strand (participates in β ladder)trans-119106.5174-59.8166.3000106.9L196 I331 L350 F354 K357 L359 N360L196-I334 HydrophobicContact CD2-CG2 4.31Å; L196-I334 CarbonylContact O-C 3.53Å; L196-I334 WeakPolarHBondContact O-CA 3.39Å; I331-I334 HydrophobicContact CG2-CG1 4Å; I334-L350 HydrophobicContact CG2-CD2 3.58Å; I334-L350 HydrophobicContact CG2-CG 4.17Å; I334-F354 HydrophobicContact CD1-CB 3.7Å; I334-F354 HydrophobicContact CD1-CD1 4.02Å; I334-F354 HydrophobicContact CD1-CD2 3.36Å; I334-F354 HydrophobicContact CD1-CE2 3.96Å; I334-F354 HydrophobicContact CD1-CG 3.42Å; I334-F354 VanDerWaalsContact CD1-CG 3.42Å; I334-F354 HydrophobicContact CG1-CD2 4.35Å; I334-K357 HydrophobicContact CD1-CB 4.37Å; I334-K357 HydrophobicContact CD1-CD 3.81Å; I334-K357 HydrophobicContact CD1-CG 4.29Å; I334-K357 HydrophobicContact CG1-CD 4.27Å; I334-L359 HydrophobicContact CB-CD2 4.01Å; I334-L359 HydrophobicContact CD1-CD2 4.05Å; I334-L359 HydrophobicContact CG2-CD2 3.71Å; I334-N360 WeakPolarHBondContact O-CA 3.11Å; I334-N360 VanDerWaalsContact O-CB 3.26Å; I334-N360 WeakPolarHBondContact O-CB 3.28Å; I334-N360 PolarHBondContact O-N 3.28Å
335V97.8Very high97.5Very high0 Ų046.7 Ų46.70%024%0.241CC..EExtended strand (participates in β ladder)trans-99.1130.7-175.1-178.80000109.1Y183 V195 L196 I197 F198 V337 N360 I363Y183-V335 HydrophobicContact CD1-CG2 4.38Å; Y183-V335 HydrophobicContact CD2-CG1 4.45Å; Y183-V335 HydrophobicContact CD2-CG2 3.52Å; Y183-V335 HydrophobicContact CE2-CG2 3.73Å; Y183-V335 HydrophobicContact CG-CG2 3.86Å; V195-V335 HydrophobicContact CG1-CG2 3.65Å; L196-V335 PolarHBondContact O-N 2.91Å; I197-V335 HydrophobicContact CD1-CB 3.7Å; I197-V335 HydrophobicContact CD1-CG1 4.16Å; I197-V335 HydrophobicContact CD1-CG2 4.02Å; F198-V335 PolarHBondContact N-O 3.45Å; V335-V337 HydrophobicContact CG1-CG2 4.29Å; V335-N360 HydrophobicContact CG2-CB 4.21Å; V335-I363 HydrophobicContact CG1-CD1 3.28Å; V335-I363 HydrophobicContact CG1-CG1 3.88Å
336L97.9Very high97.5Very high10 Ų1038 Ų385%0.05220%0.203CC..EExtended strand (participates in β ladder)trans-97.5127.9179.2-59.6-179.2000111.1F198 T341 Q347 L350 L359F198-L336 HydrophobicContact CB-CD2 4.21Å; F198-L336 HydrophobicContact CD1-CD2 4.23Å; F198-L336 HydrophobicContact CG-CD2 4.48Å; L336-T341 HydrophobicContact CB-CG2 4.28Å; L336-T341 HydrophobicContact CD2-CG2 4.42Å; L336-Q347 HydrophobicContact CD1-CG 3.89Å; L336-L350 HydrophobicContact CD2-CD2 3.76Å; L336-L359 HydrophobicContact CD1-CB 4.12Å; L336-L359 HydrophobicContact CD1-CD1 3.83Å; L336-L359 HydrophobicContact CD2-CD1 4.25Å; L336-L359 HydrophobicContact CG-CB 4.34Å; L336-L359 HydrophobicContact CG-CD1 4.39Å
337V97.2Very high97.6Very high1 Ų138.1 Ų38.11%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-131.3152176-179.80000110.4A179 I197 F198 D199 L200 V335 T341 I363 A368 V369A179-V337 HydrophobicContact CB-CB 4.36Å; A179-V337 HydrophobicContact CB-CG1 4.21Å; A179-V337 HydrophobicContact CB-CG2 3.58Å; I197-V337 HydrophobicContact CG2-CG2 4.19Å; F198-V337 PolarHBondContact O-N 3.48Å; D199-V337 WeakPolarHBondContact CA-O 3.35Å; D199-V337 HydrophobicContact CB-CB 4.12Å; D199-V337 HydrophobicContact CB-CG1 4.41Å; L200-V337 PolarHBondContact N-O 2.89Å; V335-V337 HydrophobicContact CG1-CG2 4.29Å; V337-T341 WeakPolarHBondContact O-CG2 3.49Å; V337-I363 HydrophobicContact CG2-CD1 3.95Å; V337-A368 HydrophobicContact CG2-CB 4.49Å; V337-V369 HydrophobicContact CG1-CG2 3.57Å
338G96.5Very high97.7Very high8 Ų837.5 Ų37.58%0.08220%0.195CC..SBendtrans85.1136.6-178.100000112.7L200 S340 T341 P365L200-G338 CarbonylContact O-C 3.5Å; L200-G338 VanDerWaalsContact O-C 3.27Å; L200-G338 WeakPolarHBondContact O-CA 3.36Å; G338-S340 PolarHBondContact O-N 2.93Å; G338-S340 VanDerWaalsContact O-N 3.08Å; G338-T341 WeakPolarHBondContact O-CB 3.34Å; G338-T341 PolarHBondContact O-N 3.38Å; G338-T341 PolarHBondContact O-OG1 3.18Å; G338-P365 PolarHBondContact N-O 3.27Å
339G96.1Very high97.7Very high32 Ų3235.1 Ų35.133%0.3319%0.186SC..G310 helixtrans-59.9-24.7-171.200000115.2T341 R342 D366G339-T341 VanDerWaalsContact C-N 3.26Å; G339-T341 PolarHBondContact O-N 3.28Å; G339-R342 WeakPolarHBondContact O-CB 3.46Å; G339-R342 WeakPolarHBondContact O-CG 3.49Å; G339-R342 PolarHBondContact O-N 2.75Å; G339-D366 WeakPolarHBondContact CA-OD1 3.18Å
340S98.3Very high97.8Very high11 Ų1129.9 Ų29.98%0.07715%0.149CC..G310 helixtrans-74.4-15.4178.9-59.40000112.8L200 G201 G230 G338 R342 I343L200-S340 VanDerWaalsContact O-CB 3.23Å; L200-S340 WeakPolarHBondContact O-CB 3.45Å; L200-S340 PolarHBondContact O-N 3.27Å; L200-S340 VanDerWaalsContact O-N 3.12Å; G201-S340 PolarHBondContact O-OG 2.98Å; G230-S340 WeakPolarHBondContact CA-OG 3.41Å; G230-S340 PolarHBondContact N-OG 2.97Å; G338-S340 PolarHBondContact O-N 2.93Å; G338-S340 VanDerWaalsContact O-N 3.08Å; S340-R342 PolarHBondContact O-N 2.86Å; S340-I343 WeakPolarHBondContact O-CB 3.42Å; S340-I343 WeakPolarHBondContact O-CD1 3.3Å; S340-I343 VanDerWaalsContact O-CG1 3.26Å; S340-I343 WeakPolarHBondContact O-CG1 3.4Å; S340-I343 PolarHBondContact O-N 2.79Å; S340-I343 VanDerWaalsContact O-N 3.16Å
341T98.1Very high97.8Very high3 Ų328.8 Ų28.82%0.01814%0.144CC..G310 helixtrans-67-13.1170.763.10000113.3F198 L200 L336 V337 G338 G339 I343 Q347F198-T341 HydrophobicContact CD1-CG2 3.8Å; F198-T341 HydrophobicContact CE1-CG2 4.1Å; L200-T341 HydrophobicContact CB-CG2 3.88Å; L336-T341 HydrophobicContact CB-CG2 4.28Å; L336-T341 HydrophobicContact CD2-CG2 4.42Å; V337-T341 WeakPolarHBondContact O-CG2 3.49Å; G338-T341 WeakPolarHBondContact O-CB 3.34Å; G338-T341 PolarHBondContact O-N 3.38Å; G338-T341 PolarHBondContact O-OG1 3.18Å; G339-T341 VanDerWaalsContact C-N 3.26Å; G339-T341 PolarHBondContact O-N 3.28Å; T341-I343 PolarHBondContact O-N 3.49Å; T341-Q347 VanDerWaalsContact O-CG 3.28Å; T341-Q347 WeakPolarHBondContact O-CG 3.42Å; T341-Q347 PolarHBondContact O-NE2 2.78Å
342R97.9Very high97.8Very high119 Ų11932.6 Ų32.645%0.44917%0.165SC..G310 helixtrans-67.8-14172.4-61.9175.8-179.6-87.43.8112.7G339 S340 P344 D366G339-R342 WeakPolarHBondContact O-CB 3.46Å; G339-R342 WeakPolarHBondContact O-CG 3.49Å; G339-R342 PolarHBondContact O-N 2.75Å; S340-R342 PolarHBondContact O-N 2.86Å; R342-P344 WeakPolarHBondContact O-CD 3.41Å; R342-D366 IonicContact CZ-OD2 2.67Å; R342-D366 IonicContact NE-OD2 2.54Å; R342-D366 PolarHBondContact NE-OD2 3.21Å; R342-D366 IonicContact NH2-OD2 3.51Å; R342-D366 PolarHBondContact NH2-OD2 3.3Å
343I98.6Very high97.9Very high4 Ų430.7 Ų30.72%0.02116%0.155CC..  trans-66.8120.4177.9-64.3168.9000109.7F233 F302 F310 S340 T341 K345 I346 Q347F233-I343 HydrophobicContact CD2-CD1 3.66Å; F233-I343 HydrophobicContact CE2-CD1 3.8Å; F302-I343 HydrophobicContact CE1-CD1 4.39Å; F302-I343 HydrophobicContact CE1-CG2 4.11Å; F302-I343 HydrophobicContact CZ-CD1 4.17Å; F310-I343 HydrophobicContact CE1-CD1 4.27Å; F310-I343 HydrophobicContact CE2-CG2 4.28Å; F310-I343 HydrophobicContact CZ-CD1 4.28Å; F310-I343 HydrophobicContact CZ-CG2 4.05Å; S340-I343 WeakPolarHBondContact O-CB 3.42Å; S340-I343 WeakPolarHBondContact O-CD1 3.3Å; S340-I343 VanDerWaalsContact O-CG1 3.26Å; S340-I343 WeakPolarHBondContact O-CG1 3.4Å; S340-I343 PolarHBondContact O-N 2.79Å; S340-I343 VanDerWaalsContact O-N 3.16Å; T341-I343 PolarHBondContact O-N 3.49Å; I343-K345 VanDerWaalsContact C-N 3.25Å; I343-K345 HydrophobicContact CG2-CB 4.19Å; I343-K345 PolarHBondContact O-N 3.3Å; I343-I346 HydrophobicContact CB-CB 4.32Å; I343-I346 HydrophobicContact CB-CG1 3.97Å; I343-I346 HydrophobicContact CG2-CG1 4.05Å; I343-I346 PolarHBondContact O-N 2.99Å; I343-I346 VanDerWaalsContact O-N 3.12Å; I343-Q347 PolarHBondContact O-N 2.88Å
344P98.4Very high98Very high40 Ų4030.1 Ų30.126%0.2615%0.152SC..Hα-helixtrans-57.6-35.5-176.9-2935.9000113.9S275 R342 Q347 K348S275-P344 VanDerWaalsContact O-CG 3.32Å; S275-P344 WeakPolarHBondContact O-CG 3.42Å; R342-P344 WeakPolarHBondContact O-CD 3.41Å; P344-Q347 PolarHBondContact O-N 2.79Å; P344-K348 WeakPolarHBondContact O-CB 3.4Å; P344-K348 PolarHBondContact O-N 2.86Å
345K98.6Very high98Very high72 Ų7236.7 Ų36.731%0.31319%0.187SC..Hα-helixtrans-65.6-38.9179.1-171.655.7173.7-176.70113.1E303 F310 I343 K348 L349E303-K345 HydrophobicContact CG-CB 3.78Å; E303-K345 HydrophobicContact CG-CG 4.02Å; F310-K345 HydrophobicContact CD2-CB 4.05Å; F310-K345 HydrophobicContact CD2-CG 3.69Å; F310-K345 HydrophobicContact CE2-CB 4.12Å; F310-K345 HydrophobicContact CE2-CG 4.21Å; I343-K345 VanDerWaalsContact C-N 3.25Å; I343-K345 HydrophobicContact CG2-CB 4.19Å; I343-K345 PolarHBondContact O-N 3.3Å; K345-K348 PolarHBondContact O-N 2.83Å; K345-L349 HydrophobicContact CD-CG 4.4Å; K345-L349 HydrophobicContact CG-CD1 4.25Å; K345-L349 WeakPolarHBondContact O-CB 3.19Å; K345-L349 VanDerWaalsContact O-CG 3.27Å; K345-L349 WeakPolarHBondContact O-CG 3.48Å; K345-L349 PolarHBondContact O-N 3.38Å
346I98.5Very high98Very high1 Ų139.1 Ų39.11%0.00521%0.212CC..Hα-helixtrans-63-49.4175.7-66.7-63.7000109.8F198 L200 F310 T313 I343 K348 L349 L350F198-I346 HydrophobicContact CE1-CG2 3.62Å; F198-I346 HydrophobicContact CZ-CG2 3.89Å; L200-I346 HydrophobicContact CD2-CD1 4Å; L200-I346 HydrophobicContact CD2-CG1 4.05Å; L200-I346 HydrophobicContact CD2-CG2 4.21Å; F310-I346 HydrophobicContact CB-CD1 3.92Å; F310-I346 HydrophobicContact CD1-CD1 3.57Å; F310-I346 HydrophobicContact CD1-CG1 4.25Å; F310-I346 HydrophobicContact CE1-CD1 4.24Å; F310-I346 HydrophobicContact CE1-CG1 4.48Å; F310-I346 HydrophobicContact CG-CD1 3.83Å; T313-I346 HydrophobicContact CG2-CD1 4.13Å; I343-I346 HydrophobicContact CB-CB 4.32Å; I343-I346 HydrophobicContact CB-CG1 3.97Å; I343-I346 HydrophobicContact CG2-CG1 4.05Å; I343-I346 PolarHBondContact O-N 2.99Å; I343-I346 VanDerWaalsContact O-N 3.12Å; I346-K348 VanDerWaalsContact C-N 3.31Å; I346-K348 PolarHBondContact O-N 2.85Å; I346-L349 PolarHBondContact O-N 2.91Å; I346-L350 WeakPolarHBondContact O-CB 3.38Å; I346-L350 PolarHBondContact O-N 3.32Å
347Q98.4Very high97.9Very high31 Ų3141.8 Ų41.815%0.14522%0.223CC..Hα-helixtrans-58.2-45.1176.6-66.2-177.225.500111.5L336 T341 I343 P344 L350 Q351 L359 K361L336-Q347 HydrophobicContact CD1-CG 3.89Å; T341-Q347 VanDerWaalsContact O-CG 3.28Å; T341-Q347 WeakPolarHBondContact O-CG 3.42Å; T341-Q347 PolarHBondContact O-NE2 2.78Å; I343-Q347 PolarHBondContact O-N 2.88Å; P344-Q347 PolarHBondContact O-N 2.79Å; Q347-L350 PolarHBondContact O-N 2.93Å; Q347-Q351 WeakPolarHBondContact O-CB 3.19Å; Q347-Q351 VanDerWaalsContact O-CG 3.3Å; Q347-Q351 WeakPolarHBondContact O-CG 3.14Å; Q347-Q351 PolarHBondContact O-N 2.77Å; Q347-L359 HydrophobicContact CB-CD1 3.64Å; Q347-L359 HydrophobicContact CG-CD1 3.9Å; Q347-K361 VanDerWaalsContact OE1-CE 3.31Å
348K98.5Very high97.9Very high99 Ų9949.9 Ų49.943%0.4326%0.261SS..Hα-helixtrans-63.3-45.5179.9-17754.1174.4160.30112.1P344 K345 I346 L350 Q351 D352P344-K348 WeakPolarHBondContact O-CB 3.4Å; P344-K348 PolarHBondContact O-N 2.86Å; K345-K348 PolarHBondContact O-N 2.83Å; I346-K348 VanDerWaalsContact C-N 3.31Å; I346-K348 PolarHBondContact O-N 2.85Å; K348-L350 VanDerWaalsContact C-N 3.31Å; K348-L350 PolarHBondContact O-N 3.28Å; K348-Q351 PolarHBondContact O-N 2.69Å; K348-D352 VanDerWaalsContact CE-OD1 3.26Å; K348-D352 WeakPolarHBondContact CE-OD1 3.37Å; K348-D352 WeakPolarHBondContact CE-OD2 3.34Å; K348-D352 IonicContact NZ-OD1 2.92Å; K348-D352 PolarHBondContact NZ-OD1 2.86Å; K348-D352 IonicContact NZ-OD2 2.73Å; K348-D352 WeakPolarHBondContact O-CB 3.4Å; K348-D352 PolarHBondContact O-N 3.47Å
349L98.6Very high98Very high25 Ų2550.2 Ų50.213%0.13126%0.261CS..Hα-helixtrans-59.6-43.4176.8-74.8171.1000111.6F310 K345 I346 F353F310-L349 HydrophobicContact CB-CD1 3.79Å; K345-L349 HydrophobicContact CD-CG 4.4Å; K345-L349 HydrophobicContact CG-CD1 4.25Å; K345-L349 WeakPolarHBondContact O-CB 3.19Å; K345-L349 VanDerWaalsContact O-CG 3.27Å; K345-L349 WeakPolarHBondContact O-CG 3.48Å; K345-L349 PolarHBondContact O-N 3.38Å; I346-L349 PolarHBondContact O-N 2.91Å; L349-F353 VanDerWaalsContact O-CB 3.3Å; L349-F353 WeakPolarHBondContact O-CB 3.41Å; L349-F353 PolarHBondContact O-N 2.75Å
350L98.3Very high97.9Very high0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-67.9-43.8179.1-168.161.9000111.8F198 V317 I334 L336 I346 Q347 K348 F353 F354 L359F198-L350 HydrophobicContact CB-CD2 3.95Å; F198-L350 HydrophobicContact CD1-CD2 4.25Å; F198-L350 HydrophobicContact CD2-CD1 3.8Å; F198-L350 HydrophobicContact CD2-CD2 3.7Å; F198-L350 HydrophobicContact CD2-CG 4.39Å; F198-L350 HydrophobicContact CE2-CD1 4Å; F198-L350 HydrophobicContact CE2-CD2 4.22Å; F198-L350 HydrophobicContact CG-CD2 3.71Å; V317-L350 HydrophobicContact CG1-CD1 4.42Å; V317-L350 HydrophobicContact CG2-CD1 4.14Å; I334-L350 HydrophobicContact CG2-CD2 3.58Å; I334-L350 HydrophobicContact CG2-CG 4.17Å; L336-L350 HydrophobicContact CD2-CD2 3.76Å; I346-L350 WeakPolarHBondContact O-CB 3.38Å; I346-L350 PolarHBondContact O-N 3.32Å; Q347-L350 PolarHBondContact O-N 2.93Å; K348-L350 VanDerWaalsContact C-N 3.31Å; K348-L350 PolarHBondContact O-N 3.28Å; L350-F353 WeakPolarHBondContact O-CB 3.28Å; L350-F353 PolarHBondContact O-N 2.78Å; L350-F354 HydrophobicContact CD1-CD2 3.99Å; L350-F354 HydrophobicContact CD1-CE2 3.77Å; L350-F354 HydrophobicContact CG-CD2 4.33Å; L350-F354 WeakPolarHBondContact O-CD2 3.26Å; L350-F354 PolarHBondContact O-N 3.43Å; L350-L359 HydrophobicContact CB-CD2 4.47Å; L350-L359 HydrophobicContact CD2-CD2 4.04Å; L350-L359 HydrophobicContact CG-CD2 4.14Å
351Q98.3Very high97.5Very high56 Ų5655.6 Ų55.626%0.26228%0.275SS..Hα-helixtrans-58.9-48.3174.1-76.2177.8-27.700111.8Q347 K348 F353 F354 N355 G356 L359Q347-Q351 WeakPolarHBondContact O-CB 3.19Å; Q347-Q351 VanDerWaalsContact O-CG 3.3Å; Q347-Q351 WeakPolarHBondContact O-CG 3.14Å; Q347-Q351 PolarHBondContact O-N 2.77Å; K348-Q351 PolarHBondContact O-N 2.69Å; Q351-F353 VanDerWaalsContact C-N 3.29Å; Q351-F353 PolarHBondContact O-N 2.79Å; Q351-F354 CarbonylContact O-C 3.59Å; Q351-F354 VanDerWaalsContact O-C 3.25Å; Q351-F354 PolarHBondContact O-N 2.81Å; Q351-F354 VanDerWaalsContact O-N 3.13Å; Q351-N355 PolarHBondContact O-N 2.9Å; Q351-G356 WeakPolarHBondContact O-CA 3.49Å; Q351-G356 PolarHBondContact O-N 3.01Å; Q351-L359 HydrophobicContact CG-CD1 3.79Å; Q351-L359 HydrophobicContact CG-CD2 3.84Å; Q351-L359 HydrophobicContact CG-CG 3.53Å
352D98.3Very high97.2Very high80 Ų8059.2 Ų59.243%0.42830%0.3SS..Hα-helixtrans-63.1-39.4179.5-69.4-18.1000110.7K348 F354 N355K348-D352 VanDerWaalsContact CE-OD1 3.26Å; K348-D352 WeakPolarHBondContact CE-OD1 3.37Å; K348-D352 WeakPolarHBondContact CE-OD2 3.34Å; K348-D352 IonicContact NZ-OD1 2.92Å; K348-D352 PolarHBondContact NZ-OD1 2.86Å; K348-D352 IonicContact NZ-OD2 2.73Å; K348-D352 WeakPolarHBondContact O-CB 3.4Å; K348-D352 PolarHBondContact O-N 3.47Å; D352-F354 VanDerWaalsContact C-N 3.27Å; D352-F354 PolarHBondContact O-N 3.35Å; D352-N355 PolarHBondContact O-N 3.07Å; D352-N355 VanDerWaalsContact O-N 3.16Å
353F98.3Very high96.9Very high32 Ų3254.7 Ų54.714%0.1429%0.285CS..Hα-helixtrans-60-37.7174.7-176.1-89.3000112L314 V317 E318 L321 K328 L349 L350 Q351L314-F353 HydrophobicContact CB-CD2 4.46Å; L314-F353 HydrophobicContact CD1-CD2 4.24Å; L314-F353 HydrophobicContact CD2-CB 4.01Å; L314-F353 HydrophobicContact CD2-CD2 4.21Å; L314-F353 HydrophobicContact CD2-CG 4.18Å; V317-F353 HydrophobicContact CB-CE1 4.49Å; V317-F353 HydrophobicContact CG1-CD1 3.94Å; V317-F353 HydrophobicContact CG1-CE1 3.5Å; V317-F353 VanDerWaalsContact CG1-CE1 3.5Å; V317-F353 HydrophobicContact CG1-CZ 4.07Å; E318-F353 HydrophobicContact CB-CZ 4.23Å; L321-F353 HydrophobicContact CD1-CE1 3.68Å; L321-F353 HydrophobicContact CD1-CZ 4.13Å; K328-F353 HydrophobicContact CD-CD1 4.4Å; K328-F353 HydrophobicContact CD-CE1 4.16Å; K328-F353 VanDerWaalsContact CD-O 3.28Å; K328-F353 WeakPolarHBondContact CD-O 3.3Å; K328-F353 VanDerWaalsContact CE-CZ 3.42Å; K328-F353 WeakPolarHBondContact CE-O 3.46Å; K328-F353 HydrophobicContact CG-CE1 4.36Å; K328-F353 PolarHBondContact NZ-O 3.35Å; L349-F353 VanDerWaalsContact O-CB 3.3Å; L349-F353 WeakPolarHBondContact O-CB 3.41Å; L349-F353 PolarHBondContact O-N 2.75Å; L350-F353 WeakPolarHBondContact O-CB 3.28Å; L350-F353 PolarHBondContact O-N 2.78Å; Q351-F353 VanDerWaalsContact C-N 3.29Å; Q351-F353 PolarHBondContact O-N 2.79Å
354F98.3Very high96.8Very high8 Ų857.4 Ų57.44%0.03530%0.299CS..THydrogen-bonded Turntrans-96.132.2175.9-73.8-81.8000113.5L196 V317 L321 K328 I331 I334 L350 Q351 D352 G356 K357L196-F354 HydrophobicContact CD1-CE1 4.47Å; L196-F354 HydrophobicContact CD1-CE2 3.94Å; L196-F354 HydrophobicContact CD1-CZ 3.47Å; L196-F354 VanDerWaalsContact CD1-CZ 3.47Å; V317-F354 HydrophobicContact CG1-CE2 3.76Å; V317-F354 HydrophobicContact CG1-CZ 3.89Å; L321-F354 HydrophobicContact CD1-CE1 4.15Å; L321-F354 HydrophobicContact CD1-CZ 4.01Å; L321-F354 HydrophobicContact CD2-CE1 4.49Å; K328-F354 HydrophobicContact CB-CD1 3.95Å; K328-F354 HydrophobicContact CB-CE1 4.11Å; K328-F354 HydrophobicContact CG-CD1 4.29Å; K328-F354 HydrophobicContact CG-CE1 4.2Å; I331-F354 HydrophobicContact CB-CE1 4.15Å; I331-F354 HydrophobicContact CG1-CE1 3.88Å; I331-F354 HydrophobicContact CG2-CE1 4.47Å; I334-F354 HydrophobicContact CD1-CB 3.7Å; I334-F354 HydrophobicContact CD1-CD1 4.02Å; I334-F354 HydrophobicContact CD1-CD2 3.36Å; I334-F354 HydrophobicContact CD1-CE2 3.96Å; I334-F354 HydrophobicContact CD1-CG 3.42Å; I334-F354 VanDerWaalsContact CD1-CG 3.42Å; I334-F354 HydrophobicContact CG1-CD2 4.35Å; L350-F354 HydrophobicContact CD1-CD2 3.99Å; L350-F354 HydrophobicContact CD1-CE2 3.77Å; L350-F354 HydrophobicContact CG-CD2 4.33Å; L350-F354 WeakPolarHBondContact O-CD2 3.26Å; L350-F354 PolarHBondContact O-N 3.43Å; Q351-F354 CarbonylContact O-C 3.59Å; Q351-F354 VanDerWaalsContact O-C 3.25Å; Q351-F354 PolarHBondContact O-N 2.81Å; Q351-F354 VanDerWaalsContact O-N 3.13Å; D352-F354 VanDerWaalsContact C-N 3.27Å; D352-F354 PolarHBondContact O-N 3.35Å; F354-G356 VanDerWaalsContact C-N 3.26Å; F354-G356 PolarHBondContact O-N 3.49Å; F354-K357 HydrophobicContact CB-CB 3.9Å; F354-K357 VanDerWaalsContact O-CB 3.26Å; F354-K357 WeakPolarHBondContact O-CB 3.27Å; F354-K357 PolarHBondContact O-N 3.11Å
355N97.3Very high96.6Very high139 Ų13956.5 Ų56.574%0.74329%0.294SS*.THydrogen-bonded Turntrans56.735.4171.4-5699.7000114.2Q351 D352Q351-N355 PolarHBondContact O-N 2.9Å; D352-N355 PolarHBondContact O-N 3.07Å; D352-N355 VanDerWaalsContact O-N 3.16Å
356G96.7Very high96.5Very high51 Ų5155.9 Ų55.953%0.52629%0.294SS..THydrogen-bonded Turntrans84.78.517900000114.8Q351 F354 E358Q351-G356 WeakPolarHBondContact O-CA 3.49Å; Q351-G356 PolarHBondContact O-N 3.01Å; F354-G356 VanDerWaalsContact C-N 3.26Å; F354-G356 PolarHBondContact O-N 3.49Å; G356-E358 PolarHBondContact O-N 2.86Å
357K97.3Very high96.4Very high65 Ų6557.3 Ų57.328%0.28330%0.3SS..PPolyproline II helixtrans-55.8134.3175.9-171.8179177.792.40111.1I331 H332 I334 F354I331-K357 WeakPolarHBondContact O-CE 3.41Å; I331-K357 PolarHBondContact O-NZ 3.45Å; H332-K357 VanDerWaalsContact C-CE 3.5Å; H332-K357 VanDerWaalsContact C-NZ 3.3Å; H332-K357 WeakPolarHBondContact O-CE 3.43Å; H332-K357 PolarHBondContact O-NZ 2.82Å; I334-K357 HydrophobicContact CD1-CB 4.37Å; I334-K357 HydrophobicContact CD1-CD 3.81Å; I334-K357 HydrophobicContact CD1-CG 4.29Å; I334-K357 HydrophobicContact CG1-CD 4.27Å; F354-K357 HydrophobicContact CB-CB 3.9Å; F354-K357 VanDerWaalsContact O-CB 3.26Å; F354-K357 WeakPolarHBondContact O-CB 3.27Å; F354-K357 PolarHBondContact O-N 3.11Å
358E97.1Very high96.3Very high171 Ų17156 Ų5680%0.79929%0.294SS*.PPolyproline II helixtrans-65.1139.9177.6-68-167.9156.200111.7G356G356-E358 PolarHBondContact O-N 2.86Å
359L97.4Very high96.3Very high16 Ų1651.5 Ų51.58%0.08428%0.275CS..PPolyproline II helixtrans-87.9133.8176.8-53.4-179.3000109I334 L336 Q347 L350 Q351 K361I334-L359 HydrophobicContact CB-CD2 4.01Å; I334-L359 HydrophobicContact CD1-CD2 4.05Å; I334-L359 HydrophobicContact CG2-CD2 3.71Å; L336-L359 HydrophobicContact CD1-CB 4.12Å; L336-L359 HydrophobicContact CD1-CD1 3.83Å; L336-L359 HydrophobicContact CD2-CD1 4.25Å; L336-L359 HydrophobicContact CG-CB 4.34Å; L336-L359 HydrophobicContact CG-CD1 4.39Å; Q347-L359 HydrophobicContact CB-CD1 3.64Å; Q347-L359 HydrophobicContact CG-CD1 3.9Å; L350-L359 HydrophobicContact CB-CD2 4.47Å; L350-L359 HydrophobicContact CD2-CD2 4.04Å; L350-L359 HydrophobicContact CG-CD2 4.14Å; Q351-L359 HydrophobicContact CG-CD1 3.79Å; Q351-L359 HydrophobicContact CG-CD2 3.84Å; Q351-L359 HydrophobicContact CG-CG 3.53Å; L359-K361 PolarHBondContact O-N 2.95Å
360N94.6Very high96.3Very high26 Ų2650.3 Ų50.314%0.13927%0.269CS..BIsolated β-bridgetrans-77.7121.7178.9-165-50.3000110.5I334 V335 S362I334-N360 WeakPolarHBondContact O-CA 3.11Å; I334-N360 VanDerWaalsContact O-CB 3.26Å; I334-N360 WeakPolarHBondContact O-CB 3.28Å; I334-N360 PolarHBondContact O-N 3.28Å; V335-N360 HydrophobicContact CG2-CB 4.21Å; N360-S362 VanDerWaalsContact OD1-CB 3.31Å; N360-S362 WeakPolarHBondContact OD1-CB 3.48Å; N360-S362 PolarHBondContact OD1-N 3.03Å; N360-S362 PolarHBondContact OD1-OG 3.34Å
361K91.1Very high96.3Very high130 Ų13052.7 Ų52.757%0.56528%0.279SS*.  trans-119.723.3-179.8-60.3178179.5179.30112.1Q347 L359 I363Q347-K361 VanDerWaalsContact OE1-CE 3.31Å; L359-K361 PolarHBondContact O-N 2.95Å; K361-I363 VanDerWaalsContact C-N 3.26Å; K361-I363 PolarHBondContact O-N 3.38Å
362S90.5Very high96.2Very high79 Ų7950 Ų5055%0.55227%0.266SS*.SBendtrans-74.5-15.9-175.670.20000113.7N360N360-S362 VanDerWaalsContact OD1-CB 3.31Å; N360-S362 WeakPolarHBondContact OD1-CB 3.48Å; N360-S362 PolarHBondContact OD1-N 3.03Å; N360-S362 PolarHBondContact OD1-OG 3.34Å
363I92.9Very high96.2Very high24 Ų2446.2 Ų46.212%0.12325%0.246CC..SBendtrans-110.7152.3177.368.1178.8000110.8V335 V337 K361 P365 A368V335-I363 HydrophobicContact CG1-CD1 3.28Å; V335-I363 HydrophobicContact CG1-CG1 3.88Å; V337-I363 HydrophobicContact CG2-CD1 3.95Å; K361-I363 VanDerWaalsContact C-N 3.26Å; K361-I363 PolarHBondContact O-N 3.38Å; I363-P365 WeakPolarHBondContact O-CD 3.49Å; I363-A368 HydrophobicContact CB-CB 4.37Å; I363-A368 HydrophobicContact CD1-CB 3.64Å; I363-A368 HydrophobicContact CG1-CB 4.18Å
364N95.4Very high96.2Very high60 Ų6044.7 Ų44.732%0.32124%0.239SC..  trans-75.9117.3174.2-175.7-14.2000109.7D366 E367 A368N364-D366 PolarHBondContact O-N 2.96Å; N364-D366 VanDerWaalsContact O-N 3.13Å; N364-D366 PolarHBondContact OD1-N 2.9Å; N364-D366 VanDerWaalsContact OD1-N 3.13Å; N364-E367 HydrophobicContact CB-CB 4.16Å; N364-E367 HydrophobicContact CB-CG 4.45Å; N364-E367 WeakPolarHBondContact ND2-CG 3.14Å; N364-E367 PolarHBondContact ND2-OE1 2.93Å; N364-E367 PolarHBondContact ND2-OE2 2.76Å; N364-E367 VanDerWaalsContact ND2-OE2 3.11Å; N364-E367 PolarHBondContact O-N 3.4Å; N364-A368 VanDerWaalsContact O-CB 3.31Å; N364-A368 WeakPolarHBondContact O-CB 3.35Å; N364-A368 PolarHBondContact O-N 2.86Å
365P95.3Very high96.1Very high22 Ų2244.3 Ų44.314%0.14324%0.238CC..THydrogen-bonded Turntrans-65.4-18-174.927.6-36.7000113.9G338 I363G338-P365 PolarHBondContact N-O 3.27Å; I363-P365 WeakPolarHBondContact O-CD 3.49Å
366D95.1Very high96Very high58 Ų5838.2 Ų38.231%0.3121%0.205SC..THydrogen-bonded Turntrans-94.9-12.8-178.8-56.1-50.9000113T37 G339 R342 N364T37-D366 HydrophobicContact CG2-CB 4.41Å; G339-D366 WeakPolarHBondContact CA-OD1 3.18Å; R342-D366 IonicContact CZ-OD2 2.67Å; R342-D366 IonicContact NE-OD2 2.54Å; R342-D366 PolarHBondContact NE-OD2 3.21Å; R342-D366 IonicContact NH2-OD2 3.51Å; R342-D366 PolarHBondContact NH2-OD2 3.3Å; N364-D366 PolarHBondContact O-N 2.96Å; N364-D366 VanDerWaalsContact O-N 3.13Å; N364-D366 PolarHBondContact OD1-N 2.9Å; N364-D366 VanDerWaalsContact OD1-N 3.13Å
367E97.2Very high95.9Very high31 Ų3135.8 Ų35.815%0.14518%0.18CC..THydrogen-bonded Turntrans-120.3-21.5-174-63.5173.9178.400112.8I28 R36 N364 V369 A370 Y371I28-E367 HydrophobicContact CD1-CB 4.43Å; I28-E367 HydrophobicContact CG1-CB 4.17Å; I28-E367 HydrophobicContact CG1-CG 4.44Å; I28-E367 HydrophobicContact CG2-CG 4.25Å; R36-E367 WeakPolarHBondContact CD-OE1 3.47Å; R36-E367 IonicContact CZ-OE1 3.06Å; R36-E367 IonicContact NE-OE1 3.45Å; R36-E367 IonicContact NH1-OE1 2.89Å; R36-E367 PolarHBondContact NH1-OE1 3.06Å; R36-E367 VanDerWaalsContact NH1-OE1 3.09Å; R36-E367 IonicContact NH1-OE2 3.17Å; R36-E367 PolarHBondContact NH1-OE2 3.37Å; N364-E367 HydrophobicContact CB-CB 4.16Å; N364-E367 HydrophobicContact CB-CG 4.45Å; N364-E367 WeakPolarHBondContact ND2-CG 3.14Å; N364-E367 PolarHBondContact ND2-OE1 2.93Å; N364-E367 PolarHBondContact ND2-OE2 2.76Å; N364-E367 VanDerWaalsContact ND2-OE2 3.11Å; N364-E367 PolarHBondContact O-N 3.4Å; E367-V369 VanDerWaalsContact C-N 3.28Å; E367-V369 PolarHBondContact O-N 3.19Å; E367-A370 PolarHBondContact O-N 3.34Å; E367-Y371 WeakPolarHBondContact O-CB 3.19Å; E367-Y371 PolarHBondContact O-N 3.35Å
368A96.9Very high95.8Very high3 Ų333.1 Ų33.13%0.02517%0.17CC..Hα-helixtrans-56.8-37.3-172.500000114.2A182 V337 I363 N364 Y371 G372A182-A368 HydrophobicContact CB-CB 4.15Å; A182-A368 VanDerWaalsContact CB-O 3.3Å; A182-A368 WeakPolarHBondContact CB-O 3.19Å; V337-A368 HydrophobicContact CG2-CB 4.49Å; I363-A368 HydrophobicContact CB-CB 4.37Å; I363-A368 HydrophobicContact CD1-CB 3.64Å; I363-A368 HydrophobicContact CG1-CB 4.18Å; N364-A368 VanDerWaalsContact O-CB 3.31Å; N364-A368 WeakPolarHBondContact O-CB 3.35Å; N364-A368 PolarHBondContact O-N 2.86Å; A368-Y371 WeakPolarHBondContact O-CB 3.41Å; A368-Y371 PolarHBondContact O-N 3.05Å; A368-G372 PolarHBondContact O-N 2.92Å
369V98.2Very high95.6Very high5 Ų527 Ų273%0.0314%0.142CC..Hα-helixtrans-67.2-50.1179.9176.20000110.7D10 T145 E175 A178 V337 E367 Y371 G372 A373D10-V369 HydrophobicContact CB-CB 4.21Å; D10-V369 HydrophobicContact CB-CG1 3.85Å; D10-V369 VanDerWaalsContact CG-CG1 3.46Å; D10-V369 WeakPolarHBondContact OD1-CG1 3.41Å; T145-V369 HydrophobicContact CG2-CG1 3.41Å; T145-V369 VanDerWaalsContact CG2-CG1 3.41Å; E175-V369 HydrophobicContact CB-CG1 4.21Å; E175-V369 HydrophobicContact CB-CG2 4.39Å; E175-V369 HydrophobicContact CG-CG1 3.87Å; A178-V369 HydrophobicContact CB-CG1 4.37Å; A178-V369 WeakPolarHBondContact CB-O 3.34Å; V337-V369 HydrophobicContact CG1-CG2 3.57Å; E367-V369 VanDerWaalsContact C-N 3.28Å; E367-V369 PolarHBondContact O-N 3.19Å; V369-Y371 PolarHBondContact O-N 3.29Å; V369-G372 PolarHBondContact O-N 3.23Å; V369-A373 WeakPolarHBondContact O-CB 3.38Å; V369-A373 PolarHBondContact O-N 3.02Å
370A98.4Very high95.3Very high0 Ų028.8 Ų28.80%015%0.152CC..Hα-helixtrans-62.7-34.5175.600000111.7D10 C17 I28 E367 A373 A374D10-A370 HydrophobicContact CB-CB 3.83Å; C17-A370 HydrophobicContact CB-CB 3.72Å; C17-A370 WeakPolarHBondContact SG-CB 3.35Å; I28-A370 HydrophobicContact CD1-CB 4.21Å; E367-A370 PolarHBondContact O-N 3.34Å; A370-A373 PolarHBondContact O-N 3.01Å; A370-A374 WeakPolarHBondContact O-CB 3.47Å; A370-A374 PolarHBondContact O-N 2.98Å
371Y97.8Very high95.1Very high50 Ų5029.5 Ų29.520%0.19616%0.159CC..Hα-helixtrans-59.5-54.5175.8-173.2-68.2000111.2V26 A182 L185 E367 A368 V369 A373 A374 V375V26-Y371 HydrophobicContact CB-CD1 4.28Å; V26-Y371 HydrophobicContact CB-CD2 3.66Å; V26-Y371 HydrophobicContact CB-CE1 4.07Å; V26-Y371 HydrophobicContact CB-CE2 3.46Å; V26-Y371 VanDerWaalsContact CB-CE2 3.46Å; V26-Y371 HydrophobicContact CB-CG 4.07Å; V26-Y371 HydrophobicContact CG1-CD1 4.42Å; V26-Y371 HydrophobicContact CG1-CD2 3.59Å; V26-Y371 HydrophobicContact CG1-CE2 3.96Å; V26-Y371 HydrophobicContact CG1-CG 3.85Å; V26-Y371 HydrophobicContact CG2-CD1 3.87Å; V26-Y371 HydrophobicContact CG2-CD2 4.17Å; V26-Y371 HydrophobicContact CG2-CE1 3.57Å; V26-Y371 HydrophobicContact CG2-CE2 3.95Å; V26-Y371 HydrophobicContact CG2-CG 4.13Å; A182-Y371 HydrophobicContact CB-CD1 3.55Å; A182-Y371 HydrophobicContact CB-CE1 4.34Å; A182-Y371 HydrophobicContact CB-CG 3.97Å; L185-Y371 HydrophobicContact CD2-CE1 3.89Å; E367-Y371 WeakPolarHBondContact O-CB 3.19Å; E367-Y371 PolarHBondContact O-N 3.35Å; A368-Y371 WeakPolarHBondContact O-CB 3.41Å; A368-Y371 PolarHBondContact O-N 3.05Å; V369-Y371 PolarHBondContact O-N 3.29Å; Y371-A373 VanDerWaalsContact C-N 3.31Å; Y371-A373 PolarHBondContact O-N 2.95Å; Y371-A374 WeakPolarHBondContact O-CB 3.35Å; Y371-A374 PolarHBondContact O-N 3.35Å; Y371-A374 VanDerWaalsContact O-N 3.11Å; Y371-V375 HydrophobicContact CD1-CG2 4.09Å; Y371-V375 HydrophobicContact CE1-CG2 3.88Å; Y371-V375 PolarHBondContact O-N 3.21Å; Y371-V375 VanDerWaalsContact O-N 3.09Å
372G96.7Very high94.9Very high0 Ų025.8 Ų25.80%016%0.157CC..Hα-helixtrans-63.6-36.3178.800000113.3A178 A368 V369 A374 V375 Q376A178-G372 VanDerWaalsContact O-CA 3.28Å; A178-G372 WeakPolarHBondContact O-CA 3.5Å; A368-G372 PolarHBondContact O-N 2.92Å; V369-G372 PolarHBondContact O-N 3.23Å; G372-A374 VanDerWaalsContact C-N 3.29Å; G372-A374 PolarHBondContact O-N 3.01Å; G372-V375 PolarHBondContact O-N 3.39Å; G372-Q376 PolarHBondContact O-N 2.9Å
373A98.1Very high94.7Very high0 Ų024.7 Ų24.70%015%0.145CC..Hα-helixtrans-62.3-37.5173.500000111.8V143 T145 I173 V369 A370 Y371 Q376 A377V143-A373 HydrophobicContact CG1-CB 4.2Å; T145-A373 HydrophobicContact CG2-CB 3.8Å; I173-A373 HydrophobicContact CG2-CB 4.25Å; V369-A373 WeakPolarHBondContact O-CB 3.38Å; V369-A373 PolarHBondContact O-N 3.02Å; A370-A373 PolarHBondContact O-N 3.01Å; Y371-A373 VanDerWaalsContact C-N 3.31Å; Y371-A373 PolarHBondContact O-N 2.95Å; A373-Q376 PolarHBondContact O-N 2.81Å; A373-A377 WeakPolarHBondContact O-CB 3.42Å; A373-A377 PolarHBondContact O-N 2.87Å
374A97.7Very high94.2Very high1 Ų131.9 Ų31.91%0.00818%0.175CC..Hα-helixtrans-69.3-38.6178.100000111.9V26 A370 Y371 G372 A377 A378V26-A374 HydrophobicContact CG1-CB 3.97Å; V26-A374 HydrophobicContact CG2-CB 4.43Å; A370-A374 WeakPolarHBondContact O-CB 3.47Å; A370-A374 PolarHBondContact O-N 2.98Å; Y371-A374 WeakPolarHBondContact O-CB 3.35Å; Y371-A374 PolarHBondContact O-N 3.35Å; Y371-A374 VanDerWaalsContact O-N 3.11Å; G372-A374 VanDerWaalsContact C-N 3.29Å; G372-A374 PolarHBondContact O-N 3.01Å; A374-A377 PolarHBondContact O-N 3.3Å; A374-A378 PolarHBondContact O-N 3.11Å
375V95.6Very high93.6Very high0 Ų030.6 Ų30.60%017%0.171CC..Hα-helixtrans-59.2-48.5170.8175.40000110.5V26 I181 L185 Y371 G372 A377 A378 I379 V388 L391V26-V375 HydrophobicContact CG2-CG2 3.55Å; I181-V375 HydrophobicContact CG2-CB 3.78Å; I181-V375 HydrophobicContact CG2-CG1 3.7Å; I181-V375 HydrophobicContact CG2-CG2 4.1Å; L185-V375 HydrophobicContact CD1-CG1 4.23Å; L185-V375 HydrophobicContact CD2-CG2 3.91Å; Y371-V375 HydrophobicContact CD1-CG2 4.09Å; Y371-V375 HydrophobicContact CE1-CG2 3.88Å; Y371-V375 PolarHBondContact O-N 3.21Å; Y371-V375 VanDerWaalsContact O-N 3.09Å; G372-V375 PolarHBondContact O-N 3.39Å; V375-A377 VanDerWaalsContact C-N 3.29Å; V375-A377 PolarHBondContact O-N 2.8Å; V375-A378 VanDerWaalsContact O-CB 3.28Å; V375-A378 WeakPolarHBondContact O-CB 3.3Å; V375-A378 PolarHBondContact O-N 3.47Å; V375-A378 VanDerWaalsContact O-N 3.11Å; V375-I379 HydrophobicContact CG1-CD1 4.05Å; V375-I379 WeakPolarHBondContact O-CG1 3.35Å; V375-I379 PolarHBondContact O-N 3.1Å; V375-I379 VanDerWaalsContact O-N 3.09Å; V375-V388 HydrophobicContact CG1-CG1 3.89Å; V375-L391 HydrophobicContact CG1-CD1 4.07Å
376Q95.4Very high92.9Very high10 Ų1037.2 Ų37.25%0.04720%0.2CC..Hα-helixtrans-62.6-37.4178.6-17264.617.700112.2V143 I173 G372 A373 A378 I379 L380V143-Q376 HydrophobicContact CG1-CB 4.27Å; V143-Q376 HydrophobicContact CG1-CG 4.27Å; V143-Q376 HydrophobicContact CG2-CB 4.43Å; V143-Q376 HydrophobicContact CG2-CG 4.27Å; I173-Q376 HydrophobicContact CD1-CB 4.07Å; I173-Q376 HydrophobicContact CD1-CG 4.12Å; G372-Q376 PolarHBondContact O-N 2.9Å; A373-Q376 PolarHBondContact O-N 2.81Å; Q376-A378 VanDerWaalsContact C-N 3.31Å; Q376-A378 PolarHBondContact O-N 3.11Å; Q376-I379 PolarHBondContact O-N 3.49Å; Q376-L380 HydrophobicContact CG-CD1 4.08Å; Q376-L380 WeakPolarHBondContact O-CG 3.38Å; Q376-L380 PolarHBondContact O-N 3.23Å; Q376-L380 VanDerWaalsContact O-N 3.09Å
377A96.2Very high91.9Very high0 Ų038.6 Ų38.60%021%0.207CC..Hα-helixtrans-63.1-37.6175.300000112A6 V143 A373 A374 V375 S381A6-A377 HydrophobicContact CB-CB 3.99Å; V143-A377 HydrophobicContact CB-CB 4.17Å; V143-A377 HydrophobicContact CG2-CB 3.74Å; A373-A377 WeakPolarHBondContact O-CB 3.42Å; A373-A377 PolarHBondContact O-N 2.87Å; A374-A377 PolarHBondContact O-N 3.3Å; V375-A377 VanDerWaalsContact C-N 3.29Å; V375-A377 PolarHBondContact O-N 2.8Å; A377-S381 VanDerWaalsContact O-CB 3.31Å; A377-S381 WeakPolarHBondContact O-CB 3.4Å; A377-S381 PolarHBondContact O-N 2.65Å; A377-S381 PolarHBondContact O-OG 2.86Å
378A94.2Very high91.2Very high9 Ų937.1 Ų37.17%0.07420%0.201CC..Hα-helixtrans-63.2-49.3175.400000111.8F21 A374 V375 Q376 L380 S381 G382 D383F21-A378 HydrophobicContact CB-CB 3.53Å; F21-A378 HydrophobicContact CD1-CB 3.8Å; F21-A378 HydrophobicContact CD2-CB 4.4Å; F21-A378 HydrophobicContact CG-CB 3.67Å; A374-A378 PolarHBondContact O-N 3.11Å; V375-A378 VanDerWaalsContact O-CB 3.28Å; V375-A378 WeakPolarHBondContact O-CB 3.3Å; V375-A378 PolarHBondContact O-N 3.47Å; V375-A378 VanDerWaalsContact O-N 3.11Å; Q376-A378 VanDerWaalsContact C-N 3.31Å; Q376-A378 PolarHBondContact O-N 3.11Å; A378-L380 PolarHBondContact O-N 2.54Å; A378-S381 CarbonylContact O-C 3.49Å; A378-S381 WeakPolarHBondContact O-CB 3.24Å; A378-S381 PolarHBondContact O-N 3.12Å; A378-S381 VanDerWaalsContact O-N 3.09Å; A378-G382 PolarHBondContact O-N 3.31Å; A378-G382 VanDerWaalsContact O-N 3.14Å; A378-D383 HydrophobicContact CB-CB 3.99Å; A378-D383 WeakPolarHBondContact O-CB 3.36Å; A378-D383 PolarHBondContact O-N 3.11Å
379I91.9Very high90.3Very high44 Ų4442.1 Ų42.123%0.22622%0.223CC..Hα-helixtrans-57.6-48.6179-65.9166000110.4V375 Q376 S381 G382 V388 L391V375-I379 HydrophobicContact CG1-CD1 4.05Å; V375-I379 WeakPolarHBondContact O-CG1 3.35Å; V375-I379 PolarHBondContact O-N 3.1Å; V375-I379 VanDerWaalsContact O-N 3.09Å; Q376-I379 PolarHBondContact O-N 3.49Å; I379-S381 PolarHBondContact O-N 3.04Å; I379-G382 PolarHBondContact O-N 3.4Å; I379-V388 HydrophobicContact CD1-CB 4.49Å; I379-V388 HydrophobicContact CG1-CB 4.02Å; I379-L391 HydrophobicContact CD1-CB 3.78Å; I379-L391 HydrophobicContact CD1-CD1 4.22Å; I379-L391 HydrophobicContact CD1-CD2 3.86Å; I379-L391 HydrophobicContact CD1-CG 4.15Å
380L91.9Very high89.4Confident53 Ų5347.3 Ų47.328%0.27725%0.251SS..Hα-helixtrans-69.5-22.1-179.6-65.3172000113.3V143 L170 R171 Q376 A378 G382V143-L380 HydrophobicContact CG2-CD1 3.94Å; L170-L380 HydrophobicContact CB-CB 4.47Å; L170-L380 HydrophobicContact CB-CD1 3.95Å; L170-L380 HydrophobicContact CD1-CB 4.03Å; R171-L380 HydrophobicContact CB-CD1 3.52Å; R171-L380 HydrophobicContact CG-CD1 4.37Å; Q376-L380 HydrophobicContact CG-CD1 4.08Å; Q376-L380 WeakPolarHBondContact O-CG 3.38Å; Q376-L380 PolarHBondContact O-N 3.23Å; Q376-L380 VanDerWaalsContact O-N 3.09Å; A378-L380 PolarHBondContact O-N 2.54Å; L380-G382 VanDerWaalsContact C-N 3.29Å
381S90.3Very high88.8Confident41 Ų4148.3 Ų48.329%0.28726%0.256SS..Hα-helixtrans-81.8-9.9173.2-59.90000113A6 A377 A378 I379A6-S381 WeakPolarHBondContact CB-OG 3.42Å; A377-S381 VanDerWaalsContact O-CB 3.31Å; A377-S381 WeakPolarHBondContact O-CB 3.4Å; A377-S381 PolarHBondContact O-N 2.65Å; A377-S381 PolarHBondContact O-OG 2.86Å; A378-S381 CarbonylContact O-C 3.49Å; A378-S381 WeakPolarHBondContact O-CB 3.24Å; A378-S381 PolarHBondContact O-N 3.12Å; A378-S381 VanDerWaalsContact O-N 3.09Å; I379-S381 PolarHBondContact O-N 3.04Å
382G87.3Confident88.4Confident51 Ų5150.1 Ų50.153%0.52627%0.269SS..THydrogen-bonded Turntrans86.726.6178.800000114A378 I379 L380A378-G382 PolarHBondContact O-N 3.31Å; A378-G382 VanDerWaalsContact O-N 3.14Å; I379-G382 PolarHBondContact O-N 3.4Å; L380-G382 VanDerWaalsContact C-N 3.29Å
383D86.4Confident88.1Confident56 Ų5651.4 Ų51.430%0.29928%0.276SS..  trans-59.7139.2169.4-160.9-65000110.1A378 S385 V388A378-D383 HydrophobicContact CB-CB 3.99Å; A378-D383 WeakPolarHBondContact O-CB 3.36Å; A378-D383 PolarHBondContact O-N 3.11Å; D383-S385 WeakPolarHBondContact OD1-CB 3.06Å; D383-S385 PolarHBondContact OD1-N 2.88Å; D383-S385 PolarHBondContact OD1-OG 3.47Å; D383-V388 HydrophobicContact CB-CG2 4.35Å
384K82.2Confident87.9Confident176 Ų17654 Ų5477%0.76529%0.289SS*.  trans-11817.6-176.2-60.7-170.5178.1-173.60112.6E386K384-E386 PolarHBondContact O-N 3.2Å
385S83.1Confident87.7Confident33 Ų3354.7 Ų54.723%0.23129%0.293CS..  trans-60.1137.5174.6-56.60000109.2D383 N387 V388 Q389D383-S385 WeakPolarHBondContact OD1-CB 3.06Å; D383-S385 PolarHBondContact OD1-N 2.88Å; D383-S385 PolarHBondContact OD1-OG 3.47Å; S385-N387 PolarHBondContact O-N 3.03Å; S385-V388 WeakPolarHBondContact O-CG2 3.26Å; S385-V388 PolarHBondContact O-N 3.03Å; S385-Q389 PolarHBondContact O-N 3.21Å
386E79.3Confident87.5Confident160 Ų16054.8 Ų54.875%0.74829%0.293SS*.Hα-helixtrans-51.9-34.8-176.5-68.3-175.3169.300112.4K384 V388K384-E386 PolarHBondContact O-N 3.2Å; E386-V388 VanDerWaalsContact C-N 3.25Å; E386-V388 PolarHBondContact O-N 3.39Å
387N75.8Confident87.3Confident87 Ų8754.8 Ų54.847%0.46529%0.294SS..Hα-helixtrans-67.6-19.1-177.3-57.4-12.2000114.2G24 L185 S385G24-N387 PolarHBondContact O-ND2 3.37Å; L185-N387 WeakPolarHBondContact CD1-O 3.29Å; S385-N387 PolarHBondContact O-N 3.03Å
388V82.6Confident86.7Confident1 Ų155.1 Ų55.11%0.00630%0.296CS..Hα-helixtrans-124.9-16.6-172.4-58.40000114.2F21 L185 V375 I379 D383 S385 E386 D390 L391F21-V388 HydrophobicContact CD2-CG1 4.34Å; F21-V388 HydrophobicContact CE2-CG1 3.62Å; F21-V388 HydrophobicContact CZ-CG1 3.73Å; F21-V388 HydrophobicContact CZ-CG2 4.37Å; L185-V388 HydrophobicContact CD1-CG1 4.27Å; V375-V388 HydrophobicContact CG1-CG1 3.89Å; I379-V388 HydrophobicContact CD1-CB 4.49Å; I379-V388 HydrophobicContact CG1-CB 4.02Å; D383-V388 HydrophobicContact CB-CG2 4.35Å; S385-V388 WeakPolarHBondContact O-CG2 3.26Å; S385-V388 PolarHBondContact O-N 3.03Å; E386-V388 VanDerWaalsContact C-N 3.25Å; E386-V388 PolarHBondContact O-N 3.39Å; V388-D390 VanDerWaalsContact C-N 3.3Å; V388-D390 PolarHBondContact O-N 3.31Å; V388-L391 PolarHBondContact O-N 3.4Å
389Q76.8Confident86.3Confident108 Ų10855.8 Ų55.851%0.50530%0.298SS..Hα-helixtrans-66.4-29.1-172.470.9-178.3-1.300113.9S385S385-Q389 PolarHBondContact O-N 3.21Å
390D80.7Confident86.3Confident113 Ų11354 Ų5460%0.60429%0.29SS*.THydrogen-bonded Turntrans-98.85.9-175.5-61.9-47.2000112.6V388 L392V388-D390 VanDerWaalsContact C-N 3.3Å; V388-D390 PolarHBondContact O-N 3.31Å; D390-L392 PolarHBondContact O-N 2.89Å
391L85.8Confident86.4Confident22 Ų2251.9 Ų51.912%0.11528%0.278CS..  trans-76.1117.5-178.3-167.2154.2000110.9I181 L185 G215 F217 V375 I379 V388 L393I181-L391 HydrophobicContact CD1-CD2 4.45Å; I181-L391 HydrophobicContact CG1-CD1 4.33Å; I181-L391 HydrophobicContact CG2-CD1 3.82Å; L185-L391 HydrophobicContact CD1-CD1 4.33Å; G215-L391 WeakPolarHBondContact O-CA 3.45Å; F217-L391 HydrophobicContact CD2-CD1 4.3Å; F217-L391 HydrophobicContact CD2-CD2 4.22Å; F217-L391 HydrophobicContact CD2-CG 3.92Å; F217-L391 HydrophobicContact CE2-CD1 3.79Å; F217-L391 HydrophobicContact CE2-CG 3.77Å; F217-L391 HydrophobicContact CZ-CD1 4.46Å; V375-L391 HydrophobicContact CG1-CD1 4.07Å; I379-L391 HydrophobicContact CD1-CB 3.78Å; I379-L391 HydrophobicContact CD1-CD1 4.22Å; I379-L391 HydrophobicContact CD1-CD2 3.86Å; I379-L391 HydrophobicContact CD1-CG 4.15Å; V388-L391 PolarHBondContact O-N 3.4Å; L391-L393 HydrophobicContact CD2-CB 4.39Å
392L88.6Confident86.5Confident87 Ų8749.9 Ų49.946%0.45527%0.265SS..EExtended strand (participates in β ladder)trans-112.7125.8172.8179.963.8000110.1G215 I216 F217 D390 L394G215-L392 PolarHBondContact O-N 2.86Å; I216-L392 WeakPolarHBondContact CA-O 3.43Å; I216-L392 HydrophobicContact CG1-CB 4.32Å; I216-L392 HydrophobicContact CG1-CD2 4.43Å; I216-L392 HydrophobicContact CG2-CD2 4.37Å; F217-L392 PolarHBondContact N-O 3.24Å; D390-L392 PolarHBondContact O-N 2.89Å; L392-L394 HydrophobicContact CG-CD2 4.45Å; L392-L394 HydrophobicContact CG-CG 4.41Å
393L90.6Very high86.8Confident28 Ų2847.9 Ų47.915%0.14724%0.242CC..EExtended strand (participates in β ladder)trans-109.2123.5177.1178.265.5000111.4I173 T177 F217 L391I173-L393 HydrophobicContact CD1-CD2 4.19Å; T177-L393 HydrophobicContact CG2-CD1 3.15Å; T177-L393 HydrophobicContact CG2-CD2 3.59Å; T177-L393 HydrophobicContact CG2-CG 3.94Å; F217-L393 HydrophobicContact CB-CD1 3.97Å; L391-L393 HydrophobicContact CD2-CB 4.39Å
394L92.8Very high86.9Confident54 Ų5448 Ų4828%0.28324%0.24SC..EExtended strand (participates in β ladder)trans-117.698.2173.2-58.8176.9000108.7I216 F217 E218 V219 L392 T419I216-L394 HydrophobicContact CG2-CD1 4.32Å; F217-L394 PolarHBondContact O-N 3.01Å; E218-L394 WeakPolarHBondContact CA-O 3.42Å; E218-L394 HydrophobicContact CB-CB 4.28Å; E218-L394 HydrophobicContact CB-CD1 4.43Å; E218-L394 HydrophobicContact CG-CB 4.01Å; E218-L394 HydrophobicContact CG-CD1 4.17Å; V219-L394 PolarHBondContact N-O 3.29Å; L392-L394 HydrophobicContact CG-CD2 4.45Å; L392-L394 HydrophobicContact CG-CG 4.41Å; L394-T419 HydrophobicContact CB-CG2 4.13Å; L394-T419 HydrophobicContact CD2-CG2 4.49Å
395D93.8Very high86.9Confident16 Ų1641.5 Ų41.59%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-94.8176.1178.8-146.3-39000110.9N174 T177 V219 T419 I420N174-D395 PolarHBondContact ND2-OD1 3.12Å; N174-D395 PolarHBondContact ND2-OD2 2.8Å; T177-D395 PolarHBondContact OG1-OD2 3.37Å; V219-D395 HydrophobicContact CG2-CB 4.47Å; D395-T419 CarbonylContact O-C 3.48Å; D395-T419 VanDerWaalsContact O-CA 3.26Å; D395-T419 WeakPolarHBondContact O-CA 3.41Å; D395-I420 HydrophobicContact CB-CD1 4.39Å; D395-I420 HydrophobicContact CB-CG1 4.16Å; D395-I420 WeakPolarHBondContact O-CG1 3.5Å; D395-I420 PolarHBondContact O-N 3.43Å
396V92.9Very high86.5Confident2 Ų244.1 Ų44.11%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-132.9158.9-178.5-59.70000113.1V219 T222 N417 T418V219-V396 HydrophobicContact CB-CG1 4.24Å; V219-V396 HydrophobicContact CB-CG2 4.21Å; V219-V396 HydrophobicContact CG1-CG1 4.46Å; V219-V396 HydrophobicContact CG1-CG2 3.65Å; V219-V396 WeakPolarHBondContact O-CG1 3.48Å; T222-V396 HydrophobicContact CG2-CG2 4.15Å; V396-N417 WeakPolarHBondContact CG1-O 3.21Å; V396-N417 HydrophobicContact CG2-CB 4.45Å; V396-T418 VanDerWaalsContact CA-O 3.27Å; V396-T418 WeakPolarHBondContact CA-O 3.11Å; V396-T418 WeakPolarHBondContact CB-O 3.31Å
397T89.2Confident86.3Confident10 Ų1039.7 Ų39.76%0.06124%0.237CC..  trans-77.4132.2168.8-179.20000111.5L399 I414 N417 T418 I480T397-L399 PolarHBondContact O-N 2.95Å; T397-L399 PolarHBondContact OG1-O 3.41Å; T397-I414 HydrophobicContact CG2-CG2 3.95Å; T397-N417 WeakPolarHBondContact O-CA 3.07Å; T397-N417 PolarHBondContact O-N 3.32Å; T397-T418 PolarHBondContact N-O 3.17Å; T397-I480 HydrophobicContact CG2-CD1 4.23Å
398P83.9Confident86.5Confident7 Ų736.3 Ų36.35%0.04522%0.222CC..SBendtrans-76.3-21.7-175.530.7-37.4000114.3A148 Y149 T222A148-P398 WeakPolarHBondContact O-CB 3.45Å; A148-P398 WeakPolarHBondContact O-CG 3.43Å; Y149-P398 HydrophobicContact CD2-CB 3.82Å; Y149-P398 HydrophobicContact CE2-CB 4.26Å; T222-P398 HydrophobicContact CG2-CB 3.81Å
399L87.3Confident86.6Confident22 Ų2239.1 Ų39.112%0.11524%0.239CC..SBendtrans-129.8149.2-174.9-65.3174.1000110.8Y149 T397 E444Y149-L399 HydrophobicContact CE1-CD2 4.17Å; Y149-L399 HydrophobicContact CE2-CD2 4.19Å; Y149-L399 WeakPolarHBondContact OH-CD2 3.35Å; T397-L399 PolarHBondContact O-N 2.95Å; T397-L399 PolarHBondContact OG1-O 3.41Å; L399-E444 HydrophobicContact CB-CB 4.39Å; L399-E444 HydrophobicContact CD1-CB 4.42Å; L399-E444 HydrophobicContact CD1-CG 4.22Å
400S91.4Very high87.1Confident7 Ų734.7 Ų34.75%0.04922%0.219CC..  trans-70.8140.7172.5-56.30000110.2I414 R416 E444 G445 E446S400-I414 CarbonylContact C-O 3.51Å; S400-I414 VanDerWaalsContact CA-O 3.3Å; S400-I414 WeakPolarHBondContact CA-O 3.47Å; S400-R416 PolarHBondContact OG-N 3.2Å; S400-E444 CarbonylContact O-C 3.53Å; S400-E444 VanDerWaalsContact O-CA 3.27Å; S400-E444 WeakPolarHBondContact O-CA 3.46Å; S400-G445 PolarHBondContact O-N 3.23Å; S400-E446 WeakPolarHBondContact CB-OE1 3.28Å; S400-E446 PolarHBondContact N-OE1 2.98Å; S400-E446 PolarHBondContact OG-OE1 2.89Å; S400-E446 PolarHBondContact OG-OE2 3.08Å
401L93.3Very high87.6Confident8 Ų831.1 Ų31.14%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-117131.2-178.3-61.9165.7000109.3L413 I414 Y443 E444 L456 F478 I480 L486L401-L413 PolarHBondContact O-N 3.21Å; L401-I414 HydrophobicContact CB-CB 4.36Å; L401-I414 PolarHBondContact N-O 3.17Å; L401-I414 PolarHBondContact O-N 2.79Å; L401-I414 VanDerWaalsContact O-N 3.14Å; L401-Y443 WeakPolarHBondContact CA-O 3.43Å; L401-E444 HydrophobicContact CD2-CB 3.63Å; L401-L456 HydrophobicContact CD2-CD1 3.68Å; L401-F478 HydrophobicContact CB-CD1 4.29Å; L401-F478 HydrophobicContact CB-CE1 4.22Å; L401-I480 HydrophobicContact CD1-CD1 3.42Å; L401-I480 VanDerWaalsContact CD1-CD1 3.42Å; L401-I480 HydrophobicContact CD1-CG1 4.04Å; L401-L486 HydrophobicContact CD1-CD1 4.24Å; L401-L486 HydrophobicContact CD1-CD2 4.19Å; L401-L486 HydrophobicContact CD2-CD2 4.14Å
402G93.4Very high87.9Confident0 Ų032.8 Ų32.80%021%0.212CC..EExtended strand (participates in β ladder)trans-152.7175.6-171.900000113.3T411 V442 Y443G402-T411 CarbonylContact C-O 3.54Å; G402-T411 WeakPolarHBondContact CA-O 3.46Å; G402-V442 WeakPolarHBondContact O-CA 3.4Å; G402-Y443 PolarHBondContact N-O 3.4Å; G402-Y443 PolarHBondContact O-N 3.19Å
403I93.6Very high88.2Confident8 Ų829.7 Ų29.74%0.04120%0.196CC..EExtended strand (participates in β ladder)trans-116.8157.3171.166.9173.7000111.5T405 T411 L413 F428 I440 Q441 V442 F478I403-T405 HydrophobicContact CG1-CG2 4.27Å; I403-T411 PolarHBondContact N-O 3.25Å; I403-T411 PolarHBondContact O-N 3.02Å; I403-L413 HydrophobicContact CG1-CD1 4.24Å; I403-F428 HydrophobicContact CD1-CD1 3.92Å; I403-F428 HydrophobicContact CD1-CD2 3.88Å; I403-F428 HydrophobicContact CD1-CE1 3.61Å; I403-F428 HydrophobicContact CD1-CE2 3.55Å; I403-F428 HydrophobicContact CD1-CG 4.05Å; I403-F428 HydrophobicContact CD1-CZ 3.42Å; I403-F428 VanDerWaalsContact CD1-CZ 3.42Å; I403-F428 HydrophobicContact CG1-CE1 4.14Å; I403-F428 HydrophobicContact CG1-CE2 4.42Å; I403-F428 HydrophobicContact CG1-CZ 3.92Å; I403-I440 HydrophobicContact CG2-CG2 3.94Å; I403-Q441 CarbonylContact C-O 3.47Å; I403-Q441 WeakPolarHBondContact CA-O 3.49Å; I403-V442 HydrophobicContact CG2-CG2 4.45Å; I403-F478 HydrophobicContact CG2-CE1 4.48Å; I403-F478 HydrophobicContact CG2-CE2 4.02Å; I403-F478 HydrophobicContact CG2-CZ 3.5Å; I403-F478 VanDerWaalsContact CG2-CZ 3.5Å
404E88.8Confident88.4Confident58 Ų5828.4 Ų28.427%0.27119%0.189SC..EExtended strand (participates in β ladder)trans-71.1132.1166.4-172.8160.35.600111.4G408 Q441 Y443 T450E404-G408 WeakPolarHBondContact OE2-CA 3.44Å; E404-Q441 HydrophobicContact CB-CB 4.15Å; E404-Q441 PolarHBondContact N-O 3.41Å; E404-Q441 VanDerWaalsContact OE1-CD 3.29Å; E404-Q441 PolarHBondContact OE1-NE2 3.21Å; E404-Y443 HydrophobicContact CB-CD2 4.36Å; E404-Y443 HydrophobicContact CB-CE2 3.68Å; E404-Y443 PolarHBondContact OE1-OH 3.45Å; E404-T450 HydrophobicContact CB-CG2 3.8Å; E404-T450 HydrophobicContact CG-CG2 3.91Å; E404-T450 PolarHBondContact OE2-OG1 3.26Å
405T81.9Confident88.5Confident41 Ų4133 Ų3325%0.25221%0.207SC..EExtended strand (participates in β ladder)trans-120.2174.2172.853.60000110.3I403 G407 G408 V409 T411 F428I403-T405 HydrophobicContact CG1-CG2 4.27Å; T405-G407 PolarHBondContact O-N 3.03Å; T405-G408 PolarHBondContact O-N 3.47Å; T405-G408 VanDerWaalsContact O-N 3.13Å; T405-V409 PolarHBondContact N-O 2.8Å; T405-V409 PolarHBondContact OG1-O 2.95Å; T405-T411 WeakPolarHBondContact CG2-OG1 3.02Å; T405-T411 PolarHBondContact OG1-OG1 3.1Å; T405-T411 VanDerWaalsContact OG1-OG1 3.08Å; T405-F428 HydrophobicContact CG2-CD1 4.41Å; T405-F428 HydrophobicContact CG2-CE1 4.03Å
406A74.6Confident88.4Confident87 Ų8735.2 Ų35.272%0.71921%0.214SC*.THydrogen-bonded Turntrans-49.1132-176.200000112.2
407G74.6Confident88.3Confident68 Ų6836.4 Ų36.470%0.70122%0.22SC*.THydrogen-bonded Turntrans88.28.4-177.600000115.4T405 V409 M449T405-G407 PolarHBondContact O-N 3.03Å; G407-V409 VanDerWaalsContact C-N 3.32Å; G407-M449 WeakPolarHBondContact O-CE 3.26Å
408G80.8Confident88.6Confident15 Ų1537.8 Ų37.816%0.15523%0.229CC..THydrogen-bonded Turntrans74.923.7178.600000113.5E404 T405 M449 T450E404-G408 WeakPolarHBondContact OE2-CA 3.44Å; T405-G408 PolarHBondContact O-N 3.47Å; T405-G408 VanDerWaalsContact O-N 3.13Å; G408-M449 WeakPolarHBondContact O-CA 3.4Å; G408-M449 WeakPolarHBondContact O-CE 3.45Å; G408-T450 PolarHBondContact O-N 3.47Å; G408-T450 PolarHBondContact O-OG1 3.31Å; G408-T450 VanDerWaalsContact O-OG1 3.11Å
409V83.5Confident89.2Confident60 Ų6040.1 Ų40.136%0.36424%0.243SC..EExtended strand (participates in β ladder)trans-93.4135.8-178.1-178.50000109.4T405 G407 T411 M449T405-V409 PolarHBondContact N-O 2.8Å; T405-V409 PolarHBondContact OG1-O 2.95Å; G407-V409 VanDerWaalsContact C-N 3.32Å; V409-T411 PolarHBondContact O-N 2.97Å; V409-M449 HydrophobicContact CG2-SD 4.19Å
410M88.3Confident89.5Confident16 Ų1639.7 Ų39.78%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-77.9120174.5-174.2178.4-175.800109.9V412 G445 A448 T450 N453M410-V412 HydrophobicContact CE-CG2 4.31Å; M410-V412 HydrophobicContact CG-CG2 4.39Å; M410-V412 HydrophobicContact SD-CG2 4.45Å; M410-G445 WeakPolarHBondContact CE-O 3.49Å; M410-A448 PolarHBondContact N-O 3.05Å; M410-T450 HydrophobicContact CB-CG2 3.96Å; M410-N453 HydrophobicContact SD-CB 4.47Å; M410-N453 PolarHBondContact SD-ND2 3.06Å
411T90.7Very high89.6Confident38 Ų3843.6 Ų43.623%0.23327%0.266CS..EExtended strand (participates in β ladder)trans-97.8114166.7-670000108.8G402 I403 T405 V409 L413 F428G402-T411 CarbonylContact C-O 3.54Å; G402-T411 WeakPolarHBondContact CA-O 3.46Å; I403-T411 PolarHBondContact N-O 3.25Å; I403-T411 PolarHBondContact O-N 3.02Å; T405-T411 WeakPolarHBondContact CG2-OG1 3.02Å; T405-T411 PolarHBondContact OG1-OG1 3.1Å; T405-T411 VanDerWaalsContact OG1-OG1 3.08Å; V409-T411 PolarHBondContact O-N 2.97Å; T411-L413 HydrophobicContact CG2-CD1 4.49Å; T411-L413 WeakPolarHBondContact O-CD1 3.43Å; T411-F428 HydrophobicContact CG2-CE1 4.13Å; T411-F428 HydrophobicContact CG2-CZ 4.2Å
412V91.8Very high89.7Confident57 Ų5744.5 Ų44.535%0.34527%0.272SS..EExtended strand (participates in β ladder)trans-80.6126.7-178.4178.30000110.3M410 I414 K415M410-V412 HydrophobicContact CE-CG2 4.31Å; M410-V412 HydrophobicContact CG-CG2 4.39Å; M410-V412 HydrophobicContact SD-CG2 4.45Å; V412-I414 VanDerWaalsContact CG1-O 3.31Å; V412-I414 WeakPolarHBondContact CG1-O 3.45Å; V412-K415 HydrophobicContact CG1-CG 3.94Å
413L94.6Very high89.9Confident21 Ų2150.7 Ų50.711%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-101.6-38.7174.1-77.672.3000111.2L401 I403 T411 Q426 F428 V476 F478L401-L413 PolarHBondContact O-N 3.21Å; I403-L413 HydrophobicContact CG1-CD1 4.24Å; T411-L413 HydrophobicContact CG2-CD1 4.49Å; T411-L413 WeakPolarHBondContact O-CD1 3.43Å; L413-Q426 HydrophobicContact CD2-CB 4.23Å; L413-Q426 HydrophobicContact CG-CB 4.3Å; L413-F428 HydrophobicContact CD1-CE2 4.38Å; L413-F428 HydrophobicContact CD1-CZ 3.96Å; L413-F428 HydrophobicContact CD2-CE2 4.36Å; L413-V476 HydrophobicContact CD2-CG1 4.28Å; L413-F478 HydrophobicContact CB-CD1 3.41Å; L413-F478 VanDerWaalsContact CB-CD1 3.41Å; L413-F478 HydrophobicContact CB-CE1 3.62Å; L413-F478 HydrophobicContact CB-CG 4.37Å; L413-F478 HydrophobicContact CD1-CD1 4.47Å; L413-F478 HydrophobicContact CD1-CE1 3.87Å; L413-F478 HydrophobicContact CD1-CZ 4.37Å; L413-F478 HydrophobicContact CD2-CD1 3.7Å; L413-F478 HydrophobicContact CD2-CD2 4.37Å; L413-F478 HydrophobicContact CD2-CE1 3.77Å; L413-F478 HydrophobicContact CD2-CE2 4.47Å; L413-F478 HydrophobicContact CD2-CG 4.01Å; L413-F478 HydrophobicContact CD2-CZ 4.2Å; L413-F478 HydrophobicContact CG-CD1 4.05Å; L413-F478 HydrophobicContact CG-CE1 3.96Å
414I95.5Very high90Very high2 Ų254.4 Ų54.41%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-121.2121.8174.8-60.5172.8000107.7T397 S400 L401 V412 T418 T422 Q424 F478 I480T397-I414 HydrophobicContact CG2-CG2 3.95Å; S400-I414 CarbonylContact C-O 3.51Å; S400-I414 VanDerWaalsContact CA-O 3.3Å; S400-I414 WeakPolarHBondContact CA-O 3.47Å; L401-I414 HydrophobicContact CB-CB 4.36Å; L401-I414 PolarHBondContact N-O 3.17Å; L401-I414 PolarHBondContact O-N 2.79Å; L401-I414 VanDerWaalsContact O-N 3.14Å; V412-I414 VanDerWaalsContact CG1-O 3.31Å; V412-I414 WeakPolarHBondContact CG1-O 3.45Å; I414-T418 HydrophobicContact CG2-CG2 4.14Å; I414-T422 HydrophobicContact CD1-CG2 4.06Å; I414-T422 HydrophobicContact CG2-CG2 4.31Å; I414-Q424 HydrophobicContact CD1-CB 4.36Å; I414-Q424 HydrophobicContact CD1-CG 4.29Å; I414-Q424 HydrophobicContact CG1-CB 3.83Å; I414-Q424 HydrophobicContact CG1-CG 3.61Å; I414-F478 HydrophobicContact CD1-CB 3.55Å; I414-F478 HydrophobicContact CD1-CD1 4.37Å; I414-F478 HydrophobicContact CD1-CG 4.49Å; I414-F478 HydrophobicContact CG1-CB 4.23Å; I414-F478 HydrophobicContact CG1-CD1 4.38Å; I414-I480 HydrophobicContact CD1-CD1 3.61Å; I414-I480 HydrophobicContact CD1-CG1 3.8Å; I414-I480 HydrophobicContact CG2-CD1 3.95Å
415K94Very high90.3Very high151 Ų15154.7 Ų54.766%0.65732%0.321SS*.  trans-80.5153.7179-66179.1-179.4176.60110.4V412 T418V412-K415 HydrophobicContact CG1-CG 3.94Å; K415-T418 VanDerWaalsContact O-CB 3.32Å; K415-T418 WeakPolarHBondContact O-CB 3.32Å; K415-T418 PolarHBondContact O-N 3.44Å; K415-T418 PolarHBondContact O-OG1 2.79Å
416R91.7Very high90.8Very high62 Ų6256.5 Ų56.523%0.23433%0.327CS..THydrogen-bonded Turntrans-53.6152.8167.271.9168-168.1-121.65.5111.4D323 S400 T418 E446D323-R416 VanDerWaalsContact CG-NH2 3.27Å; D323-R416 IonicContact OD1-CZ 2.7Å; D323-R416 IonicContact OD1-NE 3.99Å; D323-R416 IonicContact OD1-NH2 3.9Å; D323-R416 PolarHBondContact OD1-NH2 3.16Å; D323-R416 IonicContact OD2-CZ 3.41Å; D323-R416 VanDerWaalsContact OD2-CZ 3.23Å; D323-R416 IonicContact OD2-NE 3.89Å; D323-R416 PolarHBondContact OD2-NE 2.9Å; D323-R416 IonicContact OD2-NH2 3.08Å; D323-R416 PolarHBondContact OD2-NH2 2.82Å; S400-R416 PolarHBondContact OG-N 3.2Å; R416-T418 PolarHBondContact O-N 3.46Å; R416-E446 WeakPolarHBondContact CD-OE2 3.46Å; R416-E446 IonicContact CZ-OE2 3.46Å; R416-E446 IonicContact NE-OE2 3.93Å; R416-E446 IonicContact NH1-OE2 3.4Å; R416-E446 PolarHBondContact NH1-OE2 3.42Å
417N92.2Very high91.7Very high27 Ų2755.4 Ų55.414%0.14431%0.312CS..THydrogen-bonded Turntrans61.415.9-175-52.5-51000114.7S221 T222 D323 V396 T397S221-N417 WeakPolarHBondContact CA-OD1 3.34Å; T222-N417 PolarHBondContact N-OD1 2.83Å; D323-N417 WeakPolarHBondContact CB-ND2 3.02Å; D323-N417 PolarHBondContact OD2-ND2 2.85Å; D323-N417 VanDerWaalsContact OD2-ND2 3.07Å; V396-N417 WeakPolarHBondContact CG1-O 3.21Å; V396-N417 HydrophobicContact CG2-CB 4.45Å; T397-N417 WeakPolarHBondContact O-CA 3.07Å; T397-N417 PolarHBondContact O-N 3.32Å
418T95.1Very high92.4Very high38 Ų3854 Ų5423%0.23329%0.286CS..  trans-72.2131168.6-57.50000109.1V396 T397 I414 K415 R416 T422V396-T418 VanDerWaalsContact CA-O 3.27Å; V396-T418 WeakPolarHBondContact CA-O 3.11Å; V396-T418 WeakPolarHBondContact CB-O 3.31Å; T397-T418 PolarHBondContact N-O 3.17Å; I414-T418 HydrophobicContact CG2-CG2 4.14Å; K415-T418 VanDerWaalsContact O-CB 3.32Å; K415-T418 WeakPolarHBondContact O-CB 3.32Å; K415-T418 PolarHBondContact O-N 3.44Å; K415-T418 PolarHBondContact O-OG1 2.79Å; R416-T418 PolarHBondContact O-N 3.46Å; T418-T422 HydrophobicContact CG2-CG2 4.01Å
419T95.8Very high92.7Very high57 Ų5756.4 Ų56.435%0.3530%0.298SS..EExtended strand (participates in β ladder)trans-55.9138.1176.3-48.90000111.6L394 D395 T422L394-T419 HydrophobicContact CB-CG2 4.13Å; L394-T419 HydrophobicContact CD2-CG2 4.49Å; D395-T419 CarbonylContact O-C 3.48Å; D395-T419 VanDerWaalsContact O-CA 3.26Å; D395-T419 WeakPolarHBondContact O-CA 3.41Å; T419-T422 VanDerWaalsContact O-CB 3.29Å; T419-T422 WeakPolarHBondContact O-CB 3.4Å
420I93.4Very high92.9Very high12 Ų1253.9 Ų53.96%0.06228%0.283CS..EExtended strand (participates in β ladder)trans-117.5148.5178.259.2168.2000111.1D395 T422 I480D395-I420 HydrophobicContact CB-CD1 4.39Å; D395-I420 HydrophobicContact CB-CG1 4.16Å; D395-I420 WeakPolarHBondContact O-CG1 3.5Å; D395-I420 PolarHBondContact O-N 3.43Å; I420-T422 HydrophobicContact CG2-CG2 4.35Å; I420-I480 HydrophobicContact CB-CG2 4.31Å; I420-I480 HydrophobicContact CG2-CB 4.13Å; I420-I480 HydrophobicContact CG2-CD1 4.28Å; I420-I480 HydrophobicContact CG2-CG2 3.69Å
421P94.4Very high92.6Very high90 Ų9061.1 Ų61.158%0.58431%0.31SS*.SBendcis-69.9151.20.130.5-35.8000113.1I480P421-I480 CarbonylContact C-O 3.31Å; P421-I480 WeakPolarHBondContact CA-O 3.29Å; P421-I480 VanDerWaalsContact CB-O 3.25Å; P421-I480 WeakPolarHBondContact CB-O 3.47Å
422T95.8Very high92.3Very high26 Ų2661.4 Ų61.416%0.1631%0.314CS..EExtended strand (participates in β ladder)trans-151.8150.9-179.6-1670000112.3I414 T418 T419 I420 I480I414-T422 HydrophobicContact CD1-CG2 4.06Å; I414-T422 HydrophobicContact CG2-CG2 4.31Å; T418-T422 HydrophobicContact CG2-CG2 4.01Å; T419-T422 VanDerWaalsContact O-CB 3.29Å; T419-T422 WeakPolarHBondContact O-CB 3.4Å; I420-T422 HydrophobicContact CG2-CG2 4.35Å; T422-I480 HydrophobicContact CG2-CB 4.33Å; T422-I480 HydrophobicContact CG2-CD1 4.09Å; T422-I480 HydrophobicContact CG2-CG1 4.41Å; T422-I480 PolarHBondContact N-O 3.43Å; T422-I480 PolarHBondContact O-N 3.41Å
423K96.3Very high92.1Very high131 Ų13163.4 Ų63.457%0.5732%0.322SS*.EExtended strand (participates in β ladder)trans-130.4126.7178.7-172.3177.3-176.8177.70110.1T477 F478 D479K423-T477 HydrophobicContact CD-CG2 4.19Å; K423-T477 HydrophobicContact CG-CG2 3.85Å; K423-F478 CarbonylContact C-O 3.42Å; K423-F478 VanDerWaalsContact CA-O 3.27Å; K423-F478 WeakPolarHBondContact CA-O 3.42Å; K423-D479 HydrophobicContact CG-CB 4.31Å
424Q96.2Very high91.8Very high86 Ų8667 Ų6740%0.40234%0.342SS..EExtended strand (participates in β ladder)trans-127.5137.2176.6-66.2-60-28.900110.3I414 T477 F478I414-Q424 HydrophobicContact CD1-CB 4.36Å; I414-Q424 HydrophobicContact CD1-CG 4.29Å; I414-Q424 HydrophobicContact CG1-CB 3.83Å; I414-Q424 HydrophobicContact CG1-CG 3.61Å; Q424-T477 CarbonylContact O-C 3.59Å; Q424-T477 WeakPolarHBondContact O-CA 3.42Å; Q424-F478 PolarHBondContact N-O 2.85Å; Q424-F478 PolarHBondContact O-N 3.1Å
425T95Very high91.4Very high63 Ų6367.8 Ų67.839%0.38735%0.346SS..EExtended strand (participates in β ladder)trans-129.5129.7-176.7-63.90000109.6E475 V476 T477T425-E475 HydrophobicContact CG2-CG 3.14Å; T425-V476 WeakPolarHBondContact CA-O 3.46Å; T425-T477 WeakPolarHBondContact CG2-OG1 3.37Å; T425-T477 PolarHBondContact OG1-OG1 2.9Å
426Q92.8Very high91Very high79 Ų7965.2 Ų65.237%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-135.9140.7179-174.5169-8.100110.8L413 F428 V476L413-Q426 HydrophobicContact CD2-CB 4.23Å; L413-Q426 HydrophobicContact CG-CB 4.3Å; Q426-F428 HydrophobicContact CB-CE2 3.83Å; Q426-F428 HydrophobicContact CB-CZ 4.25Å; Q426-F428 HydrophobicContact CG-CE2 3.87Å; Q426-F428 HydrophobicContact CG-CZ 3.93Å; Q426-V476 PolarHBondContact N-O 2.97Å; Q426-V476 PolarHBondContact O-N 2.55Å
427T92.5Very high90.7Very high65 Ų6562.7 Ų62.740%0.39934%0.337SS..EExtended strand (participates in β ladder)trans-92.1128.5177.8-56.80000110.7Q473 I474T427-Q473 HydrophobicContact CG2-CB 4Å; T427-Q473 HydrophobicContact CG2-CG 4.35Å; T427-I474 CarbonylContact C-O 3.51Å; T427-I474 WeakPolarHBondContact CA-O 3.41Å
428F89.9Confident90.4Very high39 Ų3962.5 Ų62.517%0.17134%0.337CS..EExtended strand (participates in β ladder)trans-115.5175.3173.9-64.2-86.9000110.2I403 T405 T411 L413 Q426 I474 V476I403-F428 HydrophobicContact CD1-CD1 3.92Å; I403-F428 HydrophobicContact CD1-CD2 3.88Å; I403-F428 HydrophobicContact CD1-CE1 3.61Å; I403-F428 HydrophobicContact CD1-CE2 3.55Å; I403-F428 HydrophobicContact CD1-CG 4.05Å; I403-F428 HydrophobicContact CD1-CZ 3.42Å; I403-F428 VanDerWaalsContact CD1-CZ 3.42Å; I403-F428 HydrophobicContact CG1-CE1 4.14Å; I403-F428 HydrophobicContact CG1-CE2 4.42Å; I403-F428 HydrophobicContact CG1-CZ 3.92Å; T405-F428 HydrophobicContact CG2-CD1 4.41Å; T405-F428 HydrophobicContact CG2-CE1 4.03Å; T411-F428 HydrophobicContact CG2-CE1 4.13Å; T411-F428 HydrophobicContact CG2-CZ 4.2Å; L413-F428 HydrophobicContact CD1-CE2 4.38Å; L413-F428 HydrophobicContact CD1-CZ 3.96Å; L413-F428 HydrophobicContact CD2-CE2 4.36Å; Q426-F428 HydrophobicContact CB-CE2 3.83Å; Q426-F428 HydrophobicContact CB-CZ 4.25Å; Q426-F428 HydrophobicContact CG-CE2 3.87Å; Q426-F428 HydrophobicContact CG-CZ 3.93Å; F428-I474 PolarHBondContact N-O 3.5Å; F428-I474 PolarHBondContact O-N 3.24Å; F428-V476 HydrophobicContact CD2-CB 3.89Å; F428-V476 HydrophobicContact CD2-CG2 3.65Å; F428-V476 HydrophobicContact CE2-CB 3.94Å; F428-V476 HydrophobicContact CE2-CG2 4.15Å
429T88.3Confident90.1Very high65 Ų6564.9 Ų64.940%0.39935%0.348SS..  trans-146.1169.8-179.5-167.50000111.5G470 P472T429-G470 WeakPolarHBondContact OG1-CA 3.39Å; T429-G470 PolarHBondContact OG1-O 2.93Å; T429-P472 WeakPolarHBondContact CA-O 3.32Å; T429-P472 WeakPolarHBondContact CB-O 3.42Å; T429-P472 PolarHBondContact OG1-O 3.43Å
430T86.4Confident89.8Confident6 Ų662.4 Ų62.44%0.03733%0.332CS..  trans-71.1147.317853.90000111.7Q435 V438 I464 G470 P472T430-Q435 VanDerWaalsContact CB-OE1 3.31Å; T430-Q435 HydrophobicContact CG2-CB 3.87Å; T430-Q435 HydrophobicContact CG2-CG 4.13Å; T430-V438 HydrophobicContact CG2-CG2 4.04Å; T430-I464 HydrophobicContact CG2-CD1 4.28Å; T430-I464 HydrophobicContact CG2-CG2 4.41Å; T430-G470 PolarHBondContact O-N 3Å; T430-P472 HydrophobicContact CG2-CB 3.95Å; T430-P472 HydrophobicContact CG2-CG 3.72Å; T430-P472 WeakPolarHBondContact OG1-CD 3.04Å
431Y82.3Confident89.6Confident169 Ų16964 Ų6466%0.66334%0.339SS*.SBendtrans-95.2-1318076.1-90.9000112.8
432S83.7Confident89.5Confident44 Ų4459.7 Ų59.731%0.30831%0.312SS..SBendtrans-130.9152-179.8-610000111.9Q435S432-Q435 WeakPolarHBondContact O-CB 3.38Å
433D88.3Confident89.1Confident98 Ų9859.3 Ų59.352%0.52431%0.307SS..THydrogen-bonded Turntrans-64.8139.3174-63.9-22.3000110.4Q435 R469D433-Q435 PolarHBondContact O-N 3.3Å; D433-Q435 VanDerWaalsContact O-N 3.13Å; D433-R469 WeakPolarHBondContact OD1-CB 3.21Å; D433-R469 WeakPolarHBondContact OD1-CG 3.39Å; D433-R469 PolarHBondContact OD1-N 3.41Å
434N89Confident88.8Confident96 Ų9653.4 Ų53.451%0.51328%0.282SS..THydrogen-bonded Turntrans54.827.8179.1-54.3-47000114.4P436 P466 A467N434-P436 WeakPolarHBondContact O-CD 3.45Å; N434-P466 HydrophobicContact CB-CB 4.21Å; N434-P466 WeakPolarHBondContact OD1-CB 3.32Å; N434-A467 PolarHBondContact N-O 3.23Å; N434-A467 PolarHBondContact OD1-N 3.08Å
435Q85.7Confident88.3Confident20 Ų2049.8 Ų49.89%0.09327%0.267CS..  trans-62.5116178.7178.7176.3-1300110.5T430 S432 D433 G437T430-Q435 VanDerWaalsContact CB-OE1 3.31Å; T430-Q435 HydrophobicContact CG2-CB 3.87Å; T430-Q435 HydrophobicContact CG2-CG 4.13Å; S432-Q435 WeakPolarHBondContact O-CB 3.38Å; D433-Q435 PolarHBondContact O-N 3.3Å; D433-Q435 VanDerWaalsContact O-N 3.13Å; Q435-G437 VanDerWaalsContact C-N 3.3Å; Q435-G437 WeakPolarHBondContact CG-O 3.43Å; Q435-G437 PolarHBondContact NE2-O 3.45Å; Q435-G437 PolarHBondContact O-N 2.89Å
436P86.1Confident87.8Confident97 Ų9750.4 Ų50.463%0.6327%0.266SS*.  trans-79-12-171.131.6-36.4000113.9N434 T462 G463 I464N434-P436 WeakPolarHBondContact O-CD 3.45Å; P436-T462 CarbonylContact O-C 3.59Å; P436-G463 PolarHBondContact O-N 3Å; P436-I464 PolarHBondContact O-N 2.76Å; P436-I464 VanDerWaalsContact O-N 3.07Å
437G86.1Confident87.4Confident8 Ų853.3 Ų53.38%0.08227%0.273CS..EExtended strand (participates in β ladder)trans-165.9158.9178.900000113.2Q435 L461Q435-G437 VanDerWaalsContact C-N 3.3Å; Q435-G437 WeakPolarHBondContact CG-O 3.43Å; Q435-G437 PolarHBondContact NE2-O 3.45Å; Q435-G437 PolarHBondContact O-N 2.89Å; G437-L461 CarbonylContact C-O 3.59Å; G437-L461 WeakPolarHBondContact CA-O 3.41Å
438V86.3Confident86.8Confident24 Ų2453.7 Ų53.715%0.14528%0.283CS..EExtended strand (participates in β ladder)trans-117.4124.1178.7175.30000109.3T430 I440 E460 L461 I464 I474T430-V438 HydrophobicContact CG2-CG2 4.04Å; V438-I440 HydrophobicContact CG1-CG1 4.08Å; V438-E460 WeakPolarHBondContact O-CA 3.42Å; V438-L461 PolarHBondContact N-O 3.28Å; V438-L461 PolarHBondContact O-N 2.9Å; V438-I464 HydrophobicContact CB-CD1 4.24Å; V438-I464 HydrophobicContact CG2-CD1 3.55Å; V438-I474 HydrophobicContact CG2-CG1 4.38Å
439L87.4Confident86.5Confident88 Ų8855 Ų5546%0.46129%0.291SS..EExtended strand (participates in β ladder)trans-82.6117.6169.918065.3000109Q441 K458L439-Q441 HydrophobicContact CD2-CG 4.25Å; L439-Q441 HydrophobicContact CG-CG 4.12Å; L439-K458 HydrophobicContact CD1-CB 4.3Å; L439-K458 HydrophobicContact CD1-CD 4.42Å; L439-K458 HydrophobicContact CD1-CG 4.49Å
440I89.1Confident86.4Confident4 Ų452.1 Ų52.12%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-102.3119.3176.9-61.4171.3000107.4I403 V438 V442 K458 F459 V476 A490I403-I440 HydrophobicContact CG2-CG2 3.94Å; V438-I440 HydrophobicContact CG1-CG1 4.08Å; I440-V442 HydrophobicContact CG2-CG2 4.2Å; I440-K458 CarbonylContact O-C 3.59Å; I440-K458 WeakPolarHBondContact O-CA 3.36Å; I440-K458 WeakPolarHBondContact O-CB 3.45Å; I440-F459 HydrophobicContact CB-CD1 4.1Å; I440-F459 HydrophobicContact CB-CE1 3.71Å; I440-F459 HydrophobicContact CB-CE2 4.35Å; I440-F459 HydrophobicContact CB-CZ 3.85Å; I440-F459 HydrophobicContact CD1-CE1 4.38Å; I440-F459 HydrophobicContact CD1-CE2 3.76Å; I440-F459 HydrophobicContact CD1-CZ 3.62Å; I440-F459 HydrophobicContact CG1-CZ 4.33Å; I440-F459 HydrophobicContact CG2-CD1 4.28Å; I440-F459 HydrophobicContact CG2-CE1 3.51Å; I440-F459 HydrophobicContact CG2-CZ 3.8Å; I440-F459 PolarHBondContact N-O 3.45Å; I440-F459 PolarHBondContact O-N 3.34Å; I440-V476 HydrophobicContact CD1-CG2 3.92Å; I440-A490 HydrophobicContact CD1-CB 3.21Å
441Q90.4Very high86.3Confident45 Ų4560 Ų6021%0.2131%0.307CS..EExtended strand (participates in β ladder)trans-113.8122.2175.9-66.6171.3-127.900108.4I403 E404 L439 Y443 L455 K458I403-Q441 CarbonylContact C-O 3.47Å; I403-Q441 WeakPolarHBondContact CA-O 3.49Å; E404-Q441 HydrophobicContact CB-CB 4.15Å; E404-Q441 PolarHBondContact N-O 3.41Å; E404-Q441 VanDerWaalsContact OE1-CD 3.29Å; E404-Q441 PolarHBondContact OE1-NE2 3.21Å; L439-Q441 HydrophobicContact CD2-CG 4.25Å; L439-Q441 HydrophobicContact CG-CG 4.12Å; Q441-Y443 HydrophobicContact CB-CD2 4.39Å; Q441-Y443 HydrophobicContact CB-CE2 3.51Å; Q441-Y443 PolarHBondContact NE2-OH 3.35Å; Q441-Y443 WeakPolarHBondContact O-CD2 3.49Å; Q441-L455 HydrophobicContact CB-CD1 4.26Å; Q441-K458 HydrophobicContact CB-CB 4.36Å; Q441-K458 HydrophobicContact CG-CB 3.73Å; Q441-K458 HydrophobicContact CG-CD 4.42Å
442V91.3Very high86.2Confident0 Ų054.5 Ų54.50%029%0.289CS..EExtended strand (participates in β ladder)trans-102.4131.2-173.1-176.70000109G402 I403 I440 L456 G457 F459 F478 L486 V488 I503G402-V442 WeakPolarHBondContact O-CA 3.4Å; I403-V442 HydrophobicContact CG2-CG2 4.45Å; I440-V442 HydrophobicContact CG2-CG2 4.2Å; V442-L456 HydrophobicContact CB-CB 4.46Å; V442-L456 HydrophobicContact CG1-CB 4.26Å; V442-L456 HydrophobicContact CG1-CD1 4.27Å; V442-L456 PolarHBondContact O-N 2.86Å; V442-G457 PolarHBondContact N-O 3.33Å; V442-G457 PolarHBondContact O-N 2.87Å; V442-F459 HydrophobicContact CG2-CE1 4.29Å; V442-F478 HydrophobicContact CG1-CE2 4.1Å; V442-F478 HydrophobicContact CG1-CZ 3.96Å; V442-F478 HydrophobicContact CG2-CE2 4.24Å; V442-L486 HydrophobicContact CG1-CD2 3.78Å; V442-V488 HydrophobicContact CG1-CG2 4.17Å; V442-V488 HydrophobicContact CG2-CB 4.45Å; V442-V488 HydrophobicContact CG2-CG1 4.13Å; V442-V488 HydrophobicContact CG2-CG2 4.08Å; V442-I503 HydrophobicContact CB-CD1 4.04Å; V442-I503 HydrophobicContact CG1-CD1 4.1Å; V442-I503 HydrophobicContact CG2-CD1 4.06Å
443Y89.3Confident86.2Confident18 Ų1853.5 Ų53.57%0.07128%0.28CS..EExtended strand (participates in β ladder)trans-129.2154.4-176.7-64.9-98.3000111.4L401 G402 E404 Q441 T450 N453 N454 L455L401-Y443 WeakPolarHBondContact CA-O 3.43Å; G402-Y443 PolarHBondContact N-O 3.4Å; G402-Y443 PolarHBondContact O-N 3.19Å; E404-Y443 HydrophobicContact CB-CD2 4.36Å; E404-Y443 HydrophobicContact CB-CE2 3.68Å; E404-Y443 PolarHBondContact OE1-OH 3.45Å; Q441-Y443 HydrophobicContact CB-CD2 4.39Å; Q441-Y443 HydrophobicContact CB-CE2 3.51Å; Q441-Y443 PolarHBondContact NE2-OH 3.35Å; Q441-Y443 WeakPolarHBondContact O-CD2 3.49Å; Y443-T450 HydrophobicContact CD2-CG2 3.89Å; Y443-T450 HydrophobicContact CE1-CG2 4.49Å; Y443-T450 WeakPolarHBondContact CE1-O 3.16Å; Y443-T450 HydrophobicContact CE2-CG2 3.83Å; Y443-T450 HydrophobicContact CG-CG2 4.25Å; Y443-N453 HydrophobicContact CD1-CB 4.36Å; Y443-N454 CarbonylContact C-O 3.56Å; Y443-N454 WeakPolarHBondContact CA-O 3.15Å; Y443-L455 HydrophobicContact CD1-CB 4.08Å; Y443-L455 HydrophobicContact CD1-CD1 4.17Å; Y443-L455 HydrophobicContact CD2-CD1 4.39Å; Y443-L455 HydrophobicContact CE1-CB 3.82Å; Y443-L455 HydrophobicContact CE1-CD1 3.69Å; Y443-L455 HydrophobicContact CE1-CG 4.33Å; Y443-L455 HydrophobicContact CE2-CD1 3.92Å
444E88.1Confident85.9Confident8 Ų851.6 Ų51.64%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-120.5138.516666.8-177.2-179.100110.6N151 L399 S400 L401 N453 N454 L456N151-E444 WeakPolarHBondContact CB-OE1 3.43Å; N151-E444 WeakPolarHBondContact CB-OE2 3.31Å; N151-E444 PolarHBondContact ND2-OE1 3.22Å; N151-E444 VanDerWaalsContact ND2-OE1 3.1Å; L399-E444 HydrophobicContact CB-CB 4.39Å; L399-E444 HydrophobicContact CD1-CB 4.42Å; L399-E444 HydrophobicContact CD1-CG 4.22Å; S400-E444 CarbonylContact O-C 3.53Å; S400-E444 VanDerWaalsContact O-CA 3.27Å; S400-E444 WeakPolarHBondContact O-CA 3.46Å; L401-E444 HydrophobicContact CD2-CB 3.63Å; E444-N453 WeakPolarHBondContact O-CB 3.39Å; E444-N454 HydrophobicContact CG-CB 3.7Å; E444-N454 PolarHBondContact N-O 3.24Å; E444-N454 PolarHBondContact O-N 3.06Å; E444-N454 PolarHBondContact OE1-ND2 3.45Å; E444-L456 HydrophobicContact CB-CD1 3.96Å; E444-L456 HydrophobicContact CB-CD2 4.47Å; E444-L456 HydrophobicContact CB-CG 4.13Å; E444-L456 VanDerWaalsContact CD-CD2 3.43Å; E444-L456 HydrophobicContact CG-CD1 4.29Å; E444-L456 HydrophobicContact CG-CD2 3.89Å; E444-L456 HydrophobicContact CG-CG 3.98Å
445G85.9Confident85.8Confident9 Ų950.7 Ų50.79%0.09327%0.265CS..SBendtrans142.7177.3177.300000113.9S400 M410 N453S400-G445 PolarHBondContact O-N 3.23Å; M410-G445 WeakPolarHBondContact CE-O 3.49Å; G445-N453 VanDerWaalsContact C-OD1 3.3Å; G445-N453 WeakPolarHBondContact CA-OD1 3.43Å
446E86.1Confident85.7Confident77 Ų7749.8 Ų49.836%0.3626%0.26SS..SBendtrans-113.1-1.9-169.1-54.8-64.4123.900112.9S400 R416 N453S400-E446 WeakPolarHBondContact CB-OE1 3.28Å; S400-E446 PolarHBondContact N-OE1 2.98Å; S400-E446 PolarHBondContact OG-OE1 2.89Å; S400-E446 PolarHBondContact OG-OE2 3.08Å; R416-E446 WeakPolarHBondContact CD-OE2 3.46Å; R416-E446 IonicContact CZ-OE2 3.46Å; R416-E446 IonicContact NE-OE2 3.93Å; R416-E446 IonicContact NH1-OE2 3.4Å; R416-E446 PolarHBondContact NH1-OE2 3.42Å; E446-N453 PolarHBondContact N-OD1 3.32Å
447R82.6Confident85.6Confident139 Ų13945.4 Ų45.453%0.52523%0.233SC..  trans-83.5149.1-178.6-60.4-16961.7-150.9-9.2109.8M449 D452 N453R447-M449 VanDerWaalsContact C-N 3.33Å; R447-M449 PolarHBondContact O-N 3.02Å; R447-D452 HydrophobicContact CB-CB 3.87Å; R447-D452 WeakPolarHBondContact CD-O 3.41Å; R447-D452 HydrophobicContact CG-CB 4.39Å; R447-D452 IonicContact CZ-OD1 2.75Å; R447-D452 IonicContact CZ-OD2 3.2Å; R447-D452 IonicContact NH1-OD1 2.71Å; R447-D452 PolarHBondContact NH1-OD1 3.34Å; R447-D452 IonicContact NH1-OD2 3.08Å; R447-D452 IonicContact NH2-OD1 3.9Å; R447-D452 PolarHBondContact NH2-OD1 2.87Å; R447-D452 IonicContact NH2-OD2 2.83Å; R447-D452 PolarHBondContact NH2-OD2 2.85Å; R447-N453 WeakPolarHBondContact CB-OD1 3.44Å; R447-N453 PolarHBondContact N-OD1 2.96Å; R447-N453 PolarHBondContact O-ND2 2.67Å
448A81.7Confident85.7Confident73 Ų7351.2 Ų51.260%0.60326%0.256SS*.SBendtrans-69.1-31-176.300000113.4M410M410-A448 PolarHBondContact N-O 3.05Å
449M82.9Confident85.7Confident67 Ų6751 Ų5133%0.3325%0.253SS..BIsolated β-bridgetrans-99.3138.8-178.7-58.1-58.5-65.800110.4G407 G408 V409 R447 K451 D452 N453G407-M449 WeakPolarHBondContact O-CE 3.26Å; G408-M449 WeakPolarHBondContact O-CA 3.4Å; G408-M449 WeakPolarHBondContact O-CE 3.45Å; V409-M449 HydrophobicContact CG2-SD 4.19Å; R447-M449 VanDerWaalsContact C-N 3.33Å; R447-M449 PolarHBondContact O-N 3.02Å; M449-K451 HydrophobicContact CB-CG 4.14Å; M449-K451 PolarHBondContact O-N 3.1Å; M449-D452 WeakPolarHBondContact O-CB 3.25Å; M449-D452 PolarHBondContact O-N 2.76Å; M449-N453 PolarHBondContact O-ND2 3.1Å; M449-N453 VanDerWaalsContact O-ND2 3.08Å
450T86.1Confident85.6Confident5 Ų551.8 Ų51.83%0.03126%0.255CS..G310 helixtrans-67.1-34.1-176.6520000113.8E404 G408 M410 Y443 D452 N453E404-T450 HydrophobicContact CB-CG2 3.8Å; E404-T450 HydrophobicContact CG-CG2 3.91Å; E404-T450 PolarHBondContact OE2-OG1 3.26Å; G408-T450 PolarHBondContact O-N 3.47Å; G408-T450 PolarHBondContact O-OG1 3.31Å; G408-T450 VanDerWaalsContact O-OG1 3.11Å; M410-T450 HydrophobicContact CB-CG2 3.96Å; Y443-T450 HydrophobicContact CD2-CG2 3.89Å; Y443-T450 HydrophobicContact CE1-CG2 4.49Å; Y443-T450 WeakPolarHBondContact CE1-O 3.16Å; Y443-T450 HydrophobicContact CE2-CG2 3.83Å; Y443-T450 HydrophobicContact CG-CG2 4.25Å; T450-D452 PolarHBondContact O-N 2.92Å; T450-N453 PolarHBondContact O-N 3.19Å
451K83.9Confident85.5Confident171 Ų17151.6 Ų51.674%0.74325%0.254SS*.G310 helixtrans-56-18.6175.472.1179.1-175.9175.20114.5M449M449-K451 HydrophobicContact CB-CG 4.14Å; M449-K451 PolarHBondContact O-N 3.1Å
452D79.6Confident85.4Confident53 Ų5352.6 Ų52.628%0.28326%0.263SS..G310 helixtrans-107.4-1.2-172-77.4-44.9000111.8R447 M449 T450R447-D452 HydrophobicContact CB-CB 3.87Å; R447-D452 WeakPolarHBondContact CD-O 3.41Å; R447-D452 HydrophobicContact CG-CB 4.39Å; R447-D452 IonicContact CZ-OD1 2.75Å; R447-D452 IonicContact CZ-OD2 3.2Å; R447-D452 IonicContact NH1-OD1 2.71Å; R447-D452 PolarHBondContact NH1-OD1 3.34Å; R447-D452 IonicContact NH1-OD2 3.08Å; R447-D452 IonicContact NH2-OD1 3.9Å; R447-D452 PolarHBondContact NH2-OD1 2.87Å; R447-D452 IonicContact NH2-OD2 2.83Å; R447-D452 PolarHBondContact NH2-OD2 2.85Å; M449-D452 WeakPolarHBondContact O-CB 3.25Å; M449-D452 PolarHBondContact O-N 2.76Å; T450-D452 PolarHBondContact O-N 2.92Å
453N83.7Confident85Confident24 Ų2454.6 Ų54.613%0.12828%0.284CS..SBendtrans-113170.3177-69.1-49.1000110.2M410 Y443 E444 G445 E446 R447 M449 T450M410-N453 HydrophobicContact SD-CB 4.47Å; M410-N453 PolarHBondContact SD-ND2 3.06Å; Y443-N453 HydrophobicContact CD1-CB 4.36Å; E444-N453 WeakPolarHBondContact O-CB 3.39Å; G445-N453 VanDerWaalsContact C-OD1 3.3Å; G445-N453 WeakPolarHBondContact CA-OD1 3.43Å; E446-N453 PolarHBondContact N-OD1 3.32Å; R447-N453 WeakPolarHBondContact CB-OD1 3.44Å; R447-N453 PolarHBondContact N-OD1 2.96Å; R447-N453 PolarHBondContact O-ND2 2.67Å; M449-N453 PolarHBondContact O-ND2 3.1Å; M449-N453 VanDerWaalsContact O-ND2 3.08Å; T450-N453 PolarHBondContact O-N 3.19Å
454N83.3Confident84.9Confident58 Ų5854.2 Ų54.231%0.3128%0.283SS..EExtended strand (participates in β ladder)trans-84.5128.9178.1-174.441.8000110.7Y443 E444Y443-N454 CarbonylContact C-O 3.56Å; Y443-N454 WeakPolarHBondContact CA-O 3.15Å; E444-N454 HydrophobicContact CG-CB 3.7Å; E444-N454 PolarHBondContact N-O 3.24Å; E444-N454 PolarHBondContact O-N 3.06Å; E444-N454 PolarHBondContact OE1-ND2 3.45Å
455L86.6Confident84.9Confident76 Ų7656.5 Ų56.540%0.39830%0.299SS..EExtended strand (participates in β ladder)trans-80.9118.3175.3176.169.6000109Q441 Y443Q441-L455 HydrophobicContact CB-CD1 4.26Å; Y443-L455 HydrophobicContact CD1-CB 4.08Å; Y443-L455 HydrophobicContact CD1-CD1 4.17Å; Y443-L455 HydrophobicContact CD2-CD1 4.39Å; Y443-L455 HydrophobicContact CE1-CB 3.82Å; Y443-L455 HydrophobicContact CE1-CD1 3.69Å; Y443-L455 HydrophobicContact CE1-CG 4.33Å; Y443-L455 HydrophobicContact CE2-CD1 3.92Å
456L84.2Confident85.1Confident1 Ų161.2 Ų61.21%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-85.8-36.6178-71.6-175.1000112.7D152 L401 V442 E444 L486 I503D152-L456 HydrophobicContact CB-CD1 4.46Å; D152-L456 HydrophobicContact CB-CD2 3.97Å; L401-L456 HydrophobicContact CD2-CD1 3.68Å; V442-L456 HydrophobicContact CB-CB 4.46Å; V442-L456 HydrophobicContact CG1-CB 4.26Å; V442-L456 HydrophobicContact CG1-CD1 4.27Å; V442-L456 PolarHBondContact O-N 2.86Å; E444-L456 HydrophobicContact CB-CD1 3.96Å; E444-L456 HydrophobicContact CB-CD2 4.47Å; E444-L456 HydrophobicContact CB-CG 4.13Å; E444-L456 VanDerWaalsContact CD-CD2 3.43Å; E444-L456 HydrophobicContact CG-CD1 4.29Å; E444-L456 HydrophobicContact CG-CD2 3.89Å; E444-L456 HydrophobicContact CG-CG 3.98Å; L456-L486 HydrophobicContact CD1-CD2 3.97Å; L456-I503 HydrophobicContact CB-CG2 4.13Å
457G84.4Confident85.3Confident6 Ų658.4 Ų58.46%0.06232%0.318CS..EExtended strand (participates in β ladder)trans174.4172.2-178.300000113V442V442-G457 PolarHBondContact N-O 3.33Å; V442-G457 PolarHBondContact O-N 2.87Å
458K88.1Confident85.7Confident130 Ų13055.6 Ų55.657%0.56532%0.317SS*.EExtended strand (participates in β ladder)trans-147.8148175.269.1-175.6-179.1179.80112L439 I440 Q441L439-K458 HydrophobicContact CD1-CB 4.3Å; L439-K458 HydrophobicContact CD1-CD 4.42Å; L439-K458 HydrophobicContact CD1-CG 4.49Å; I440-K458 CarbonylContact O-C 3.59Å; I440-K458 WeakPolarHBondContact O-CA 3.36Å; I440-K458 WeakPolarHBondContact O-CB 3.45Å; Q441-K458 HydrophobicContact CB-CB 4.36Å; Q441-K458 HydrophobicContact CG-CB 3.73Å; Q441-K458 HydrophobicContact CG-CD 4.42Å
459F85.1Confident85.9Confident19 Ų1960.3 Ų60.38%0.08332%0.319CS..EExtended strand (participates in β ladder)trans-151.3156.7176.964.9-74.8000110.3I440 V442 V488 A490 N499 I501I440-F459 HydrophobicContact CB-CD1 4.1Å; I440-F459 HydrophobicContact CB-CE1 3.71Å; I440-F459 HydrophobicContact CB-CE2 4.35Å; I440-F459 HydrophobicContact CB-CZ 3.85Å; I440-F459 HydrophobicContact CD1-CE1 4.38Å; I440-F459 HydrophobicContact CD1-CE2 3.76Å; I440-F459 HydrophobicContact CD1-CZ 3.62Å; I440-F459 HydrophobicContact CG1-CZ 4.33Å; I440-F459 HydrophobicContact CG2-CD1 4.28Å; I440-F459 HydrophobicContact CG2-CE1 3.51Å; I440-F459 HydrophobicContact CG2-CZ 3.8Å; I440-F459 PolarHBondContact N-O 3.45Å; I440-F459 PolarHBondContact O-N 3.34Å; V442-F459 HydrophobicContact CG2-CE1 4.29Å; F459-V488 HydrophobicContact CE1-CB 4.36Å; F459-V488 HydrophobicContact CE1-CG1 3.71Å; F459-V488 HydrophobicContact CZ-CG1 3.77Å; F459-A490 HydrophobicContact CE2-CB 3.73Å; F459-A490 HydrophobicContact CZ-CB 3.99Å; F459-N499 HydrophobicContact CD2-CB 4.43Å; F459-I501 HydrophobicContact CB-CB 4.37Å; F459-I501 HydrophobicContact CB-CD1 4.17Å; F459-I501 HydrophobicContact CD1-CB 3.9Å; F459-I501 HydrophobicContact CD1-CD1 4.36Å; F459-I501 HydrophobicContact CD1-CG2 3.22Å; F459-I501 HydrophobicContact CE1-CB 4.33Å; F459-I501 HydrophobicContact CE1-CG2 3.3Å; F459-I501 HydrophobicContact CG-CB 4.09Å; F459-I501 HydrophobicContact CG-CG2 3.9Å; F459-I501 HydrophobicContact CZ-CG2 4.05Å
460E85.9Confident86Confident104 Ų10459.4 Ų59.449%0.48633%0.327SS..EExtended strand (participates in β ladder)trans-111.7125.2-177.4-167.4178.3-176.500110.9V438 T462 N499V438-E460 WeakPolarHBondContact O-CA 3.42Å; E460-T462 HydrophobicContact CB-CG2 4.36Å; E460-T462 HydrophobicContact CG-CG2 3.76Å; E460-N499 PolarHBondContact O-ND2 3.17Å
461L86.4Confident86.3Confident1 Ų163.4 Ų63.41%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-89.9101.4167.7-179.665.5000108.4G437 V438 I474 A490 D492 N499G437-L461 CarbonylContact C-O 3.59Å; G437-L461 WeakPolarHBondContact CA-O 3.41Å; V438-L461 PolarHBondContact N-O 3.28Å; V438-L461 PolarHBondContact O-N 2.9Å; L461-I474 HydrophobicContact CD2-CD1 3.99Å; L461-I474 HydrophobicContact CD2-CG2 3.66Å; L461-A490 HydrophobicContact CD2-CB 4.24Å; L461-D492 HydrophobicContact CD2-CB 4.31Å; L461-N499 HydrophobicContact CD1-CB 3.72Å
462T87.4Confident86.5Confident65 Ų6555.7 Ų55.740%0.39932%0.319SS..EExtended strand (participates in β ladder)trans-95.2167.4-178.561.80000112.4P436 E460 K497P436-T462 CarbonylContact O-C 3.59Å; E460-T462 HydrophobicContact CB-CG2 4.36Å; E460-T462 HydrophobicContact CG-CG2 3.76Å; T462-K497 WeakPolarHBondContact O-CD 3.4Å; T462-K497 VanDerWaalsContact O-CE 3.25Å; T462-K497 WeakPolarHBondContact O-CE 3.45Å; T462-K497 PolarHBondContact O-NZ 2.81Å; T462-K497 PolarHBondContact OG1-NZ 3.39Å
463G84.1Confident87Confident43 Ų4358.2 Ų58.244%0.44333%0.329SS..  trans78.829173.100000113.6P436P436-G463 PolarHBondContact O-N 3Å
464I86.1Confident87.3Confident9 Ų957.1 Ų57.15%0.04632%0.323CS..  trans-72.3126.9171-61.1173000107.6T430 P436 V438 P472 I474T430-I464 HydrophobicContact CG2-CD1 4.28Å; T430-I464 HydrophobicContact CG2-CG2 4.41Å; P436-I464 PolarHBondContact O-N 2.76Å; P436-I464 VanDerWaalsContact O-N 3.07Å; V438-I464 HydrophobicContact CB-CD1 4.24Å; V438-I464 HydrophobicContact CG2-CD1 3.55Å; I464-P472 HydrophobicContact CG2-CB 3.86Å; I464-P472 HydrophobicContact CG2-CG 3.84Å; I464-I474 HydrophobicContact CD1-CD1 3.83Å; I464-I474 HydrophobicContact CG1-CD1 4.3Å
465P87.9Confident87.8Confident57 Ų5756.9 Ų56.937%0.3732%0.32SS..  trans-59.6146.7178.3-24.234.1000112.3A467 T495P465-A467 PolarHBondContact O-N 3.17Å; P465-A467 VanDerWaalsContact O-N 3.08Å; P465-T495 HydrophobicContact CG-CG2 3.49Å; P465-T495 VanDerWaalsContact CG-CG2 3.49Å
466P90.4Very high88.1Confident107 Ų10753.3 Ų53.370%0.69530%0.301SS*.SBendtrans-57.1115.9174.3-24.634.3000111.5N434N434-P466 HydrophobicContact CB-CB 4.21Å; N434-P466 WeakPolarHBondContact OD1-CB 3.32Å
467A90.5Very high88.6Confident19 Ų1953.7 Ų53.716%0.15730%0.304CS..  trans-146.7156.9177.400000110.2N434 P465 V471 P472N434-A467 PolarHBondContact N-O 3.23Å; N434-A467 PolarHBondContact OD1-N 3.08Å; P465-A467 PolarHBondContact O-N 3.17Å; P465-A467 VanDerWaalsContact O-N 3.08Å; A467-V471 HydrophobicContact CB-CB 4.11Å; A467-V471 HydrophobicContact CB-CG1 4.13Å; A467-P472 HydrophobicContact CB-CG 4.09Å
468P90.8Very high89.1Confident79 Ų7953.4 Ų53.451%0.51330%0.301SS..  trans-55.6149.3170.5-22.733.1000111.7G470 V471P468-G470 PolarHBondContact O-N 3.21Å; P468-V471 HydrophobicContact CB-CG2 4.02Å; P468-V471 HydrophobicContact CG-CG2 4.3Å; P468-V471 WeakPolarHBondContact O-CB 3.18Å; P468-V471 WeakPolarHBondContact O-CG2 3.36Å; P468-V471 PolarHBondContact O-N 3.37Å; P468-V471 VanDerWaalsContact O-N 3.16Å
469R87.4Confident89.4Confident173 Ų17350.3 Ų50.365%0.65329%0.29SS*.THydrogen-bonded Turntrans-52.1141.317470.6-175.9-176.9169.7-0.9110.4D433 V471D433-R469 WeakPolarHBondContact OD1-CB 3.21Å; D433-R469 WeakPolarHBondContact OD1-CG 3.39Å; D433-R469 PolarHBondContact OD1-N 3.41Å; R469-V471 VanDerWaalsContact C-N 3.29Å; R469-V471 PolarHBondContact O-N 3.29Å
470G85.1Confident89.7Confident48 Ų4849.4 Ų49.450%0.49529%0.287SS..THydrogen-bonded Turntrans84.6-8.8-178.700000115.5T429 T430 P468T429-G470 WeakPolarHBondContact OG1-CA 3.39Å; T429-G470 PolarHBondContact OG1-O 2.93Å; T430-G470 PolarHBondContact O-N 3Å; P468-G470 PolarHBondContact O-N 3.21Å
471V90.9Very high89.9Confident88 Ų8846.6 Ų46.653%0.53328%0.275SS..  trans-86.8-47.1-179.8177.10000113.1A467 P468 R469 Q473A467-V471 HydrophobicContact CB-CB 4.11Å; A467-V471 HydrophobicContact CB-CG1 4.13Å; P468-V471 HydrophobicContact CB-CG2 4.02Å; P468-V471 HydrophobicContact CG-CG2 4.3Å; P468-V471 WeakPolarHBondContact O-CB 3.18Å; P468-V471 WeakPolarHBondContact O-CG2 3.36Å; P468-V471 PolarHBondContact O-N 3.37Å; P468-V471 VanDerWaalsContact O-N 3.16Å; R469-V471 VanDerWaalsContact C-N 3.29Å; R469-V471 PolarHBondContact O-N 3.29Å; V471-Q473 PolarHBondContact O-N 3.04Å
472P88.8Confident90.1Very high9 Ų948.1 Ų48.16%0.05829%0.287CS..SBendtrans-59.1137.2177.5-2637.2000111.8T429 T430 I464 A467 I474T429-P472 WeakPolarHBondContact CA-O 3.32Å; T429-P472 WeakPolarHBondContact CB-O 3.42Å; T429-P472 PolarHBondContact OG1-O 3.43Å; T430-P472 HydrophobicContact CG2-CB 3.95Å; T430-P472 HydrophobicContact CG2-CG 3.72Å; T430-P472 WeakPolarHBondContact OG1-CD 3.04Å; I464-P472 HydrophobicContact CG2-CB 3.86Å; I464-P472 HydrophobicContact CG2-CG 3.84Å; A467-P472 HydrophobicContact CB-CG 4.09Å; P472-I474 HydrophobicContact CB-CD1 4.33Å
473Q90.8Very high90Very high107 Ų10745.8 Ų45.850%0.527%0.273SS..  trans-109.7103.4178.7-68.4-170.2-400109.7T427 V471 K493T427-Q473 HydrophobicContact CG2-CB 4Å; T427-Q473 HydrophobicContact CG2-CG 4.35Å; V471-Q473 PolarHBondContact O-N 3.04Å; Q473-K493 HydrophobicContact CB-CB 4.15Å; Q473-K493 HydrophobicContact CB-CD 4.41Å; Q473-K493 HydrophobicContact CB-CG 4.41Å; Q473-K493 PolarHBondContact O-N 3.41Å
474I90.1Very high90.1Very high1 Ų144.4 Ų44.41%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-102104.5-177.7-49.3-53.9000108.6T427 F428 V438 L461 I464 P472 V476 A490 V491 D492T427-I474 CarbonylContact C-O 3.51Å; T427-I474 WeakPolarHBondContact CA-O 3.41Å; F428-I474 PolarHBondContact N-O 3.5Å; F428-I474 PolarHBondContact O-N 3.24Å; V438-I474 HydrophobicContact CG2-CG1 4.38Å; L461-I474 HydrophobicContact CD2-CD1 3.99Å; L461-I474 HydrophobicContact CD2-CG2 3.66Å; I464-I474 HydrophobicContact CD1-CD1 3.83Å; I464-I474 HydrophobicContact CG1-CD1 4.3Å; P472-I474 HydrophobicContact CB-CD1 4.33Å; I474-V476 HydrophobicContact CG2-CG2 4.3Å; I474-V476 PolarHBondContact O-N 2.98Å; I474-A490 HydrophobicContact CG2-CB 4.41Å; I474-V491 CarbonylContact C-O 3.58Å; I474-D492 HydrophobicContact CD1-CB 3.93Å
475E93.6Very high90.1Very high52 Ų5244.2 Ų44.224%0.24326%0.257CS..EExtended strand (participates in β ladder)trans-83.2112177.4-171.8167.384.400110.2T425 A490 V491 K493T425-E475 HydrophobicContact CG2-CG 3.14Å; E475-A490 CarbonylContact O-C 3.54Å; E475-A490 VanDerWaalsContact O-CA 3.23Å; E475-A490 WeakPolarHBondContact O-CA 3.44Å; E475-V491 PolarHBondContact N-O 2.81Å; E475-V491 PolarHBondContact O-N 2.91Å; E475-K493 HydrophobicContact CB-CG 4.39Å; E475-K493 VanDerWaalsContact CD-CE 3.44Å; E475-K493 WeakPolarHBondContact OE2-CE 3.36Å; E475-K493 IonicContact OE2-NZ 2.76Å; E475-K493 PolarHBondContact OE2-NZ 3.4Å
476V92.9Very high90Very high2 Ų241.7 Ų41.71%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-101.7128.6175.5-178.50000108.8L413 T425 Q426 F428 I440 I474 F478 V488 S489 A490L413-V476 HydrophobicContact CD2-CG1 4.28Å; T425-V476 WeakPolarHBondContact CA-O 3.46Å; Q426-V476 PolarHBondContact N-O 2.97Å; Q426-V476 PolarHBondContact O-N 2.55Å; F428-V476 HydrophobicContact CD2-CB 3.89Å; F428-V476 HydrophobicContact CD2-CG2 3.65Å; F428-V476 HydrophobicContact CE2-CB 3.94Å; F428-V476 HydrophobicContact CE2-CG2 4.15Å; I440-V476 HydrophobicContact CD1-CG2 3.92Å; I474-V476 HydrophobicContact CG2-CG2 4.3Å; I474-V476 PolarHBondContact O-N 2.98Å; V476-F478 HydrophobicContact CG1-CD2 4.5Å; V476-F478 HydrophobicContact CG1-CE2 4.25Å; V476-V488 HydrophobicContact CG1-CG1 4.18Å; V476-S489 CarbonylContact C-O 3.49Å; V476-S489 WeakPolarHBondContact CA-O 3.45Å; V476-A490 HydrophobicContact CG2-CB 4.22Å
477T94.7Very high90Very high9 Ų938.8 Ų38.86%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-119.6128-178.8-66.30000109.9K423 Q424 T425 V488 S489K423-T477 HydrophobicContact CD-CG2 4.19Å; K423-T477 HydrophobicContact CG-CG2 3.85Å; Q424-T477 CarbonylContact O-C 3.59Å; Q424-T477 WeakPolarHBondContact O-CA 3.42Å; T425-T477 WeakPolarHBondContact CG2-OG1 3.37Å; T425-T477 PolarHBondContact OG1-OG1 2.9Å; T477-V488 CarbonylContact O-C 3.49Å; T477-V488 VanDerWaalsContact O-CA 3.3Å; T477-V488 WeakPolarHBondContact O-CA 3.27Å; T477-S489 PolarHBondContact N-O 2.72Å; T477-S489 PolarHBondContact O-N 2.84Å
478F95.1Very high90Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-104.9129.3167.2-71.7168.7000109.6L401 I403 L413 I414 K423 Q424 V442 V476 L486 V488L401-F478 HydrophobicContact CB-CD1 4.29Å; L401-F478 HydrophobicContact CB-CE1 4.22Å; I403-F478 HydrophobicContact CG2-CE1 4.48Å; I403-F478 HydrophobicContact CG2-CE2 4.02Å; I403-F478 HydrophobicContact CG2-CZ 3.5Å; I403-F478 VanDerWaalsContact CG2-CZ 3.5Å; L413-F478 HydrophobicContact CB-CD1 3.41Å; L413-F478 VanDerWaalsContact CB-CD1 3.41Å; L413-F478 HydrophobicContact CB-CE1 3.62Å; L413-F478 HydrophobicContact CB-CG 4.37Å; L413-F478 HydrophobicContact CD1-CD1 4.47Å; L413-F478 HydrophobicContact CD1-CE1 3.87Å; L413-F478 HydrophobicContact CD1-CZ 4.37Å; L413-F478 HydrophobicContact CD2-CD1 3.7Å; L413-F478 HydrophobicContact CD2-CD2 4.37Å; L413-F478 HydrophobicContact CD2-CE1 3.77Å; L413-F478 HydrophobicContact CD2-CE2 4.47Å; L413-F478 HydrophobicContact CD2-CG 4.01Å; L413-F478 HydrophobicContact CD2-CZ 4.2Å; L413-F478 HydrophobicContact CG-CD1 4.05Å; L413-F478 HydrophobicContact CG-CE1 3.96Å; I414-F478 HydrophobicContact CD1-CB 3.55Å; I414-F478 HydrophobicContact CD1-CD1 4.37Å; I414-F478 HydrophobicContact CD1-CG 4.49Å; I414-F478 HydrophobicContact CG1-CB 4.23Å; I414-F478 HydrophobicContact CG1-CD1 4.38Å; K423-F478 CarbonylContact C-O 3.42Å; K423-F478 VanDerWaalsContact CA-O 3.27Å; K423-F478 WeakPolarHBondContact CA-O 3.42Å; Q424-F478 PolarHBondContact N-O 2.85Å; Q424-F478 PolarHBondContact O-N 3.1Å; V442-F478 HydrophobicContact CG1-CE2 4.1Å; V442-F478 HydrophobicContact CG1-CZ 3.96Å; V442-F478 HydrophobicContact CG2-CE2 4.24Å; V476-F478 HydrophobicContact CG1-CD2 4.5Å; V476-F478 HydrophobicContact CG1-CE2 4.25Å; F478-L486 HydrophobicContact CB-CD1 3.91Å; F478-L486 HydrophobicContact CD2-CD1 4.3Å; F478-L486 HydrophobicContact CG-CD1 4.12Å; F478-V488 HydrophobicContact CD2-CB 3.96Å; F478-V488 HydrophobicContact CD2-CG1 3.65Å; F478-V488 HydrophobicContact CD2-CG2 3.37Å; F478-V488 HydrophobicContact CE2-CB 4.03Å; F478-V488 HydrophobicContact CE2-CG1 3.47Å; F478-V488 VanDerWaalsContact CE2-CG1 3.47Å; F478-V488 HydrophobicContact CE2-CG2 3.41Å; F478-V488 VanDerWaalsContact CE2-CG2 3.41Å; F478-V488 HydrophobicContact CG-CG2 4.48Å
479D93.4Very high90Very high64 Ų6435.3 Ų35.334%0.34220%0.195SC..EExtended strand (participates in β ladder)trans-130.2112.2179.9-178.119.2000109K423 N487K423-D479 HydrophobicContact CG-CB 4.31Å; D479-N487 HydrophobicContact CB-CB 4.28Å; D479-N487 PolarHBondContact N-O 2.76Å; D479-N487 PolarHBondContact O-N 2.75Å
480I91.5Very high90.1Very high1 Ų127 Ų271%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-102.5123.5178.4-52.9174.5000108.3T397 L401 I414 I420 P421 T422 L486T397-I480 HydrophobicContact CG2-CD1 4.23Å; L401-I480 HydrophobicContact CD1-CD1 3.42Å; L401-I480 VanDerWaalsContact CD1-CD1 3.42Å; L401-I480 HydrophobicContact CD1-CG1 4.04Å; I414-I480 HydrophobicContact CD1-CD1 3.61Å; I414-I480 HydrophobicContact CD1-CG1 3.8Å; I414-I480 HydrophobicContact CG2-CD1 3.95Å; I420-I480 HydrophobicContact CB-CG2 4.31Å; I420-I480 HydrophobicContact CG2-CB 4.13Å; I420-I480 HydrophobicContact CG2-CD1 4.28Å; I420-I480 HydrophobicContact CG2-CG2 3.69Å; P421-I480 CarbonylContact C-O 3.31Å; P421-I480 WeakPolarHBondContact CA-O 3.29Å; P421-I480 VanDerWaalsContact CB-O 3.25Å; P421-I480 WeakPolarHBondContact CB-O 3.47Å; T422-I480 HydrophobicContact CG2-CB 4.33Å; T422-I480 HydrophobicContact CG2-CD1 4.09Å; T422-I480 HydrophobicContact CG2-CG1 4.41Å; T422-I480 PolarHBondContact N-O 3.43Å; T422-I480 PolarHBondContact O-N 3.41Å; I480-L486 HydrophobicContact CG1-CD1 3.98Å
481D90.8Very high90.4Very high44 Ų4426.3 Ų26.324%0.23515%0.15CC..  trans-79-18017983-6.8000112.7N483 G484 I485D481-N483 PolarHBondContact O-N 3.34Å; D481-N483 VanDerWaalsContact OD1-CA 3.31Å; D481-N483 WeakPolarHBondContact OD1-CA 3.32Å; D481-N483 VanDerWaalsContact OD1-CB 3.26Å; D481-N483 WeakPolarHBondContact OD1-CB 3.43Å; D481-N483 PolarHBondContact OD1-N 3.43Å; D481-N483 PolarHBondContact OD2-ND2 3.09Å; D481-G484 PolarHBondContact O-N 2.72Å; D481-G484 PolarHBondContact OD1-N 2.99Å; D481-G484 VanDerWaalsContact OD1-N 3.11Å; D481-I485 PolarHBondContact N-O 2.99Å; D481-I485 VanDerWaalsContact N-O 3.11Å; D481-I485 PolarHBondContact OD1-N 3.11Å
482A89.9Confident90.4Very high33 Ų3322.2 Ų22.227%0.27313%0.125SC..THydrogen-bonded Turntrans-72.3-4.5179.900000114.5R171R171-A482 VanDerWaalsContact CD-O 3.27Å; R171-A482 WeakPolarHBondContact CD-O 3.02Å; R171-A482 PolarHBondContact NH1-O 2.94Å
483N85.9Confident90.5Very high17 Ų1726.6 Ų26.69%0.09114%0.143CC..THydrogen-bonded Turntrans-94.1-5.8170.4-57.2-66.5000112R171 I172 D481 I485R171-N483 WeakPolarHBondContact CA-OD1 3.2Å; R171-N483 WeakPolarHBondContact CD-OD1 3.2Å; I172-N483 HydrophobicContact CB-CB 4.26Å; I172-N483 PolarHBondContact N-OD1 3.01Å; D481-N483 PolarHBondContact O-N 3.34Å; D481-N483 VanDerWaalsContact OD1-CA 3.31Å; D481-N483 WeakPolarHBondContact OD1-CA 3.32Å; D481-N483 VanDerWaalsContact OD1-CB 3.26Å; D481-N483 WeakPolarHBondContact OD1-CB 3.43Å; D481-N483 PolarHBondContact OD1-N 3.43Å; D481-N483 PolarHBondContact OD2-ND2 3.09Å; N483-I485 HydrophobicContact CB-CD1 3.82Å; N483-I485 HydrophobicContact CB-CG1 3.99Å
484G85.8Confident90.1Very high13 Ų1325.6 Ų25.613%0.13415%0.148CC..SBendtrans7822.1-171.800000113.6D481D481-G484 PolarHBondContact O-N 2.72Å; D481-G484 PolarHBondContact OD1-N 2.99Å; D481-G484 VanDerWaalsContact OD1-N 3.11Å
485I85.4Confident89.8Confident6 Ų628.6 Ų28.63%0.03117%0.167CC..  trans-94.2131.3-179.8-62.4167.2000109.8K159 D481 N483K159-I485 HydrophobicContact CD-CD1 3.89Å; D481-I485 PolarHBondContact N-O 2.99Å; D481-I485 VanDerWaalsContact N-O 3.11Å; D481-I485 PolarHBondContact OD1-N 3.11Å; N483-I485 HydrophobicContact CB-CD1 3.82Å; N483-I485 HydrophobicContact CB-CG1 3.99Å
486L87.1Confident89.3Confident3 Ų328.7 Ų28.72%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-88.8130.5-174.8178.463.9000113.2D152 L401 V442 L456 F478 I480 V488 I503D152-L486 PolarHBondContact OD1-N 3.43Å; L401-L486 HydrophobicContact CD1-CD1 4.24Å; L401-L486 HydrophobicContact CD1-CD2 4.19Å; L401-L486 HydrophobicContact CD2-CD2 4.14Å; V442-L486 HydrophobicContact CG1-CD2 3.78Å; L456-L486 HydrophobicContact CD1-CD2 3.97Å; F478-L486 HydrophobicContact CB-CD1 3.91Å; F478-L486 HydrophobicContact CD2-CD1 4.3Å; F478-L486 HydrophobicContact CG-CD1 4.12Å; I480-L486 HydrophobicContact CG1-CD1 3.98Å; L486-V488 HydrophobicContact CD1-CG2 4.04Å; L486-V488 HydrophobicContact CD2-CG2 3.74Å; L486-V488 HydrophobicContact CG-CG2 3.69Å; L486-I503 HydrophobicContact CB-CG1 4.29Å; L486-I503 HydrophobicContact CD2-CG1 4.01Å; L486-I503 HydrophobicContact CG-CG1 4Å; L486-I503 WeakPolarHBondContact O-CB 3.38Å; L486-I503 PolarHBondContact O-N 3.44Å
487N89.1Confident88.8Confident47 Ų4732.7 Ų32.725%0.25120%0.199SC..EExtended strand (participates in β ladder)trans-113.4133165.6-60.3-86000109.6D479 T502D479-N487 HydrophobicContact CB-CB 4.28Å; D479-N487 PolarHBondContact N-O 2.76Å; D479-N487 PolarHBondContact O-N 2.75Å; N487-T502 WeakPolarHBondContact OD1-CB 3.45Å; N487-T502 VanDerWaalsContact OD1-CG2 3.23Å; N487-T502 WeakPolarHBondContact OD1-CG2 3.28Å; N487-T502 PolarHBondContact OD1-OG1 2.81Å; N487-T502 VanDerWaalsContact OD1-OG1 3.07Å
488V90Very high88.2Confident2 Ų237.2 Ų37.21%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-123.4126.8-179.6-178.50000110.2V442 F459 V476 T477 F478 L486 K500 I501 I503V442-V488 HydrophobicContact CG1-CG2 4.17Å; V442-V488 HydrophobicContact CG2-CB 4.45Å; V442-V488 HydrophobicContact CG2-CG1 4.13Å; V442-V488 HydrophobicContact CG2-CG2 4.08Å; F459-V488 HydrophobicContact CE1-CB 4.36Å; F459-V488 HydrophobicContact CE1-CG1 3.71Å; F459-V488 HydrophobicContact CZ-CG1 3.77Å; V476-V488 HydrophobicContact CG1-CG1 4.18Å; T477-V488 CarbonylContact O-C 3.49Å; T477-V488 VanDerWaalsContact O-CA 3.3Å; T477-V488 WeakPolarHBondContact O-CA 3.27Å; F478-V488 HydrophobicContact CD2-CB 3.96Å; F478-V488 HydrophobicContact CD2-CG1 3.65Å; F478-V488 HydrophobicContact CD2-CG2 3.37Å; F478-V488 HydrophobicContact CE2-CB 4.03Å; F478-V488 HydrophobicContact CE2-CG1 3.47Å; F478-V488 VanDerWaalsContact CE2-CG1 3.47Å; F478-V488 HydrophobicContact CE2-CG2 3.41Å; F478-V488 VanDerWaalsContact CE2-CG2 3.41Å; F478-V488 HydrophobicContact CG-CG2 4.48Å; L486-V488 HydrophobicContact CD1-CG2 4.04Å; L486-V488 HydrophobicContact CD2-CG2 3.74Å; L486-V488 HydrophobicContact CG-CG2 3.69Å; V488-K500 WeakPolarHBondContact O-CA 3.48Å; V488-I501 CarbonylContact C-O 3.5Å; V488-I501 WeakPolarHBondContact CA-O 3.35Å; V488-I501 HydrophobicContact CB-CG2 3.81Å; V488-I501 HydrophobicContact CG1-CG2 4.4Å; V488-I501 PolarHBondContact N-O 2.91Å; V488-I501 CarbonylContact O-C 3.6Å; V488-I501 VanDerWaalsContact O-C 3.31Å; V488-I501 PolarHBondContact O-N 3.07Å; V488-I503 HydrophobicContact CB-CD1 4.42Å; V488-I503 HydrophobicContact CG2-CD1 3.84Å; V488-I503 HydrophobicContact CG2-CG1 3.87Å
489S91.4Very high87.2Confident22 Ų2240.2 Ų40.215%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-123.1152.6169.966.20000111.7V476 T477V476-S489 CarbonylContact C-O 3.49Å; V476-S489 WeakPolarHBondContact CA-O 3.45Å; T477-S489 PolarHBondContact N-O 2.72Å; T477-S489 PolarHBondContact O-N 2.84Å
490A90.2Very high86.3Confident0 Ų043.8 Ų43.80%025%0.248CC..EExtended strand (participates in β ladder)trans-132.7129.4173.400000110.3I440 F459 L461 I474 E475 V476 E498 N499I440-A490 HydrophobicContact CD1-CB 3.21Å; F459-A490 HydrophobicContact CE2-CB 3.73Å; F459-A490 HydrophobicContact CZ-CB 3.99Å; L461-A490 HydrophobicContact CD2-CB 4.24Å; I474-A490 HydrophobicContact CG2-CB 4.41Å; E475-A490 CarbonylContact O-C 3.54Å; E475-A490 VanDerWaalsContact O-CA 3.23Å; E475-A490 WeakPolarHBondContact O-CA 3.44Å; V476-A490 HydrophobicContact CG2-CB 4.22Å; A490-E498 WeakPolarHBondContact O-CA 3.45Å; A490-N499 PolarHBondContact N-O 2.84Å; A490-N499 PolarHBondContact O-N 2.96Å
491V91.5Very high85.1Confident32 Ų3244.6 Ų44.619%0.19425%0.252CS..EExtended strand (participates in β ladder)trans-126.2126.8-178.5-174.30000109.3I474 E475 K493 K497 E498I474-V491 CarbonylContact C-O 3.58Å; E475-V491 PolarHBondContact N-O 2.81Å; E475-V491 PolarHBondContact O-N 2.91Å; V491-K493 PolarHBondContact O-N 2.97Å; V491-K497 WeakPolarHBondContact CA-O 3.44Å; V491-E498 HydrophobicContact CG2-CB 3.93Å; V491-E498 HydrophobicContact CG2-CG 3.79Å
492D90.3Very high83.7Confident2 Ų245.6 Ų45.61%0.01126%0.26CS..EExtended strand (participates in β ladder)trans-77.2113.3164.3170.910.4000109L461 I474 S494 T495 G496 K497L461-D492 HydrophobicContact CD2-CB 4.31Å; I474-D492 HydrophobicContact CD1-CB 3.93Å; D492-S494 VanDerWaalsContact CG-OG 3.26Å; D492-S494 PolarHBondContact O-N 2.92Å; D492-S494 WeakPolarHBondContact OD1-CB 3.49Å; D492-S494 PolarHBondContact OD1-N 2.87Å; D492-S494 PolarHBondContact OD1-OG 2.89Å; D492-S494 PolarHBondContact OD2-OG 2.69Å; D492-S494 VanDerWaalsContact OD2-OG 3.12Å; D492-T495 WeakPolarHBondContact CB-OG1 3.2Å; D492-T495 VanDerWaalsContact CG-OG1 3.23Å; D492-T495 PolarHBondContact O-N 3.03Å; D492-T495 WeakPolarHBondContact OD2-CG2 3.49Å; D492-T495 PolarHBondContact OD2-OG1 2.86Å; D492-G496 WeakPolarHBondContact O-CA 3.29Å; D492-G496 PolarHBondContact O-N 2.85Å; D492-K497 PolarHBondContact N-O 3.13Å
493K90.2Very high82.3Confident101 Ų10144.1 Ų44.144%0.43925%0.247SC..THydrogen-bonded Turntrans-62.7-25.1-177.4-71.7-165.7173-179.90113.7Q473 E475 V491Q473-K493 HydrophobicContact CB-CB 4.15Å; Q473-K493 HydrophobicContact CB-CD 4.41Å; Q473-K493 HydrophobicContact CB-CG 4.41Å; Q473-K493 PolarHBondContact O-N 3.41Å; E475-K493 HydrophobicContact CB-CG 4.39Å; E475-K493 VanDerWaalsContact CD-CE 3.44Å; E475-K493 WeakPolarHBondContact OE2-CE 3.36Å; E475-K493 IonicContact OE2-NZ 2.76Å; E475-K493 PolarHBondContact OE2-NZ 3.4Å; V491-K493 PolarHBondContact O-N 2.97Å
494S83.4Confident80.6Confident86 Ų8646.7 Ų46.760%0.60126%0.264SS*.THydrogen-bonded Turntrans-78.3-36.5-176.6690000112.5D492D492-S494 VanDerWaalsContact CG-OG 3.26Å; D492-S494 PolarHBondContact O-N 2.92Å; D492-S494 WeakPolarHBondContact OD1-CB 3.49Å; D492-S494 PolarHBondContact OD1-N 2.87Å; D492-S494 PolarHBondContact OD1-OG 2.89Å; D492-S494 PolarHBondContact OD2-OG 2.69Å; D492-S494 VanDerWaalsContact OD2-OG 3.12Å
495T83.9Confident78.7Confident65 Ų6548 Ų4840%0.39927%0.267SS..THydrogen-bonded Turntrans-102.9-16-177.4580000113.1P465 D492 K497P465-T495 HydrophobicContact CG-CG2 3.49Å; P465-T495 VanDerWaalsContact CG-CG2 3.49Å; D492-T495 WeakPolarHBondContact CB-OG1 3.2Å; D492-T495 VanDerWaalsContact CG-OG1 3.23Å; D492-T495 PolarHBondContact O-N 3.03Å; D492-T495 WeakPolarHBondContact OD2-CG2 3.49Å; D492-T495 PolarHBondContact OD2-OG1 2.86Å; T495-K497 PolarHBondContact O-N 2.94Å; T495-K497 VanDerWaalsContact OG1-CB 3.28Å; T495-K497 WeakPolarHBondContact OG1-CB 3.39Å; T495-K497 PolarHBondContact OG1-N 2.97Å
496G82.8Confident76.9Confident54 Ų5454.8 Ų54.856%0.55730%0.304SS*.  trans67.47.3-168.800000112.9D492 E498D492-G496 WeakPolarHBondContact O-CA 3.29Å; D492-G496 PolarHBondContact O-N 2.85Å; G496-E498 PolarHBondContact O-N 2.82Å
497K81.4Confident75.2Confident86 Ų8663.7 Ų63.737%0.37434%0.342SS..  trans-71.3117.8-179.8-168175.1179.2-172.30108.7T462 V491 D492 T495T462-K497 WeakPolarHBondContact O-CD 3.4Å; T462-K497 VanDerWaalsContact O-CE 3.25Å; T462-K497 WeakPolarHBondContact O-CE 3.45Å; T462-K497 PolarHBondContact O-NZ 2.81Å; T462-K497 PolarHBondContact OG1-NZ 3.39Å; V491-K497 WeakPolarHBondContact CA-O 3.44Å; D492-K497 PolarHBondContact N-O 3.13Å; T495-K497 PolarHBondContact O-N 2.94Å; T495-K497 VanDerWaalsContact OG1-CB 3.28Å; T495-K497 WeakPolarHBondContact OG1-CB 3.39Å; T495-K497 PolarHBondContact OG1-N 2.97Å
498E82.1Confident73.5Confident103 Ų10362.9 Ų62.948%0.48135%0.345SS..EExtended strand (participates in β ladder)trans-101.5139176-179.9174.3-156.800109.6A490 V491 G496A490-E498 WeakPolarHBondContact O-CA 3.45Å; V491-E498 HydrophobicContact CG2-CB 3.93Å; V491-E498 HydrophobicContact CG2-CG 3.79Å; G496-E498 PolarHBondContact O-N 2.82Å
499N75Confident72.5Confident64 Ų6464.3 Ų64.334%0.34235%0.35SS..EExtended strand (participates in β ladder)trans-126.3135.2154.7-160.5-3.2000107.9F459 E460 L461 A490F459-N499 HydrophobicContact CD2-CB 4.43Å; E460-N499 PolarHBondContact O-ND2 3.17Å; L461-N499 HydrophobicContact CD1-CB 3.72Å; A490-N499 PolarHBondContact N-O 2.84Å; A490-N499 PolarHBondContact O-N 2.96Å
500K74.6Confident71.4Confident138 Ų13863.9 Ų63.960%0.635%0.346SS*.EExtended strand (participates in β ladder)trans-130.3145.8179.768.2-177179.4-173.80110V488V488-K500 WeakPolarHBondContact O-CA 3.48Å
501I66.4Low70.9Confident19 Ų1966 Ų6610%0.09736%0.361CS..EExtended strand (participates in β ladder)trans-120109.8166.8-167161.9000105.4F459 V488 I503F459-I501 HydrophobicContact CB-CB 4.37Å; F459-I501 HydrophobicContact CB-CD1 4.17Å; F459-I501 HydrophobicContact CD1-CB 3.9Å; F459-I501 HydrophobicContact CD1-CD1 4.36Å; F459-I501 HydrophobicContact CD1-CG2 3.22Å; F459-I501 HydrophobicContact CE1-CB 4.33Å; F459-I501 HydrophobicContact CE1-CG2 3.3Å; F459-I501 HydrophobicContact CG-CB 4.09Å; F459-I501 HydrophobicContact CG-CG2 3.9Å; F459-I501 HydrophobicContact CZ-CG2 4.05Å; V488-I501 CarbonylContact C-O 3.5Å; V488-I501 WeakPolarHBondContact CA-O 3.35Å; V488-I501 HydrophobicContact CB-CG2 3.81Å; V488-I501 HydrophobicContact CG1-CG2 4.4Å; V488-I501 PolarHBondContact N-O 2.91Å; V488-I501 CarbonylContact O-C 3.6Å; V488-I501 VanDerWaalsContact O-C 3.31Å; V488-I501 PolarHBondContact O-N 3.07Å; I501-I503 HydrophobicContact CG2-CD1 3.86Å; I501-I503 PolarHBondContact O-N 2.75Å
502T61.8Low70.3Confident64 Ų6472.1 Ų72.139%0.39339%0.385SS..EExtended strand (participates in β ladder)trans-55.9127.6143.7-63.10000103.3N487 T504N487-T502 WeakPolarHBondContact OD1-CB 3.45Å; N487-T502 VanDerWaalsContact OD1-CG2 3.23Å; N487-T502 WeakPolarHBondContact OD1-CG2 3.28Å; N487-T502 PolarHBondContact OD1-OG1 2.81Å; N487-T502 VanDerWaalsContact OD1-OG1 3.07Å; T502-T504 HydrophobicContact CG2-CG2 3.55Å; T502-T504 PolarHBondContact O-N 2.93Å; T502-T504 PolarHBondContact O-OG1 2.94Å
503I59.5Low69.9Low2 Ų278.2 Ų78.21%0.0141%0.414CS..SBendtrans-62.986.9178.8-62-71.4000106.1V442 L456 L486 V488 I501 R509V442-I503 HydrophobicContact CB-CD1 4.04Å; V442-I503 HydrophobicContact CG1-CD1 4.1Å; V442-I503 HydrophobicContact CG2-CD1 4.06Å; L456-I503 HydrophobicContact CB-CG2 4.13Å; L486-I503 HydrophobicContact CB-CG1 4.29Å; L486-I503 HydrophobicContact CD2-CG1 4.01Å; L486-I503 HydrophobicContact CG-CG1 4Å; L486-I503 WeakPolarHBondContact O-CB 3.38Å; L486-I503 PolarHBondContact O-N 3.44Å; V488-I503 HydrophobicContact CB-CD1 4.42Å; V488-I503 HydrophobicContact CG2-CD1 3.84Å; V488-I503 HydrophobicContact CG2-CG1 3.87Å; I501-I503 HydrophobicContact CG2-CD1 3.86Å; I501-I503 PolarHBondContact O-N 2.75Å; I503-R509 PolarHBondContact O-NH1 3.11Å
504T51.3Low69.6Low72 Ų7275.2 Ų75.244%0.44240%0.402SS..  trans-119.386176.850.10000100T502 D506T502-T504 HydrophobicContact CG2-CG2 3.55Å; T502-T504 PolarHBondContact O-N 2.93Å; T502-T504 PolarHBondContact O-OG1 2.94Å; T504-D506 PolarHBondContact O-N 3.22Å
505N45.7Very low69.3Low39 Ų3972.2 Ų72.221%0.20938%0.379CS..  trans-60.2102.5-172.9-172.80.8000109.3K507 R509N505-K507 PolarHBondContact O-N 3.36Å; N505-K507 PolarHBondContact OD1-N 2.93Å; N505-K507 PolarHBondContact OD1-O 2.74Å; N505-R509 HydrophobicContact CB-CB 4.48Å; N505-R509 HydrophobicContact CB-CG 4.04Å; N505-R509 PolarHBondContact O-N 3.25Å
506D47Very low69.2Low149 Ų14974.9 Ų74.980%0.79739%0.387SS*.THydrogen-bonded Turntrans-61.2-11.6-179.4-73.5-23.9000113.1T504T504-D506 PolarHBondContact O-N 3.22Å
507K51Low69.5Low190 Ų19077.5 Ų77.583%0.82638%0.38SS*.THydrogen-bonded Turntrans-133.772.8176.8-65.4-172.2179.6-175.30110.2N505N505-K507 PolarHBondContact O-N 3.36Å; N505-K507 PolarHBondContact OD1-N 2.93Å; N505-K507 PolarHBondContact OD1-O 2.74Å
508G54.1Low69.8Low30 Ų3073.6 Ų73.631%0.30936%0.363SS..THydrogen-bonded Turntrans155.1-7.4175.300000115.8R100R100-G508 VanDerWaalsContact CD-O 3.22Å; R100-G508 WeakPolarHBondContact CD-O 3.2Å; R100-G508 PolarHBondContact NE-O 3.05Å
509R69.3Low69.7Low33 Ų3370.3 Ų70.313%0.12535%0.35CS..SBendtrans-116.9168.1176.8-78.7-178.2147.7141.98.5112.2D152 I503 N505D152-R509 PolarHBondContact O-NH2 3.38Å; D152-R509 IonicContact OD2-CZ 3.09Å; D152-R509 VanDerWaalsContact OD2-CZ 3.3Å; D152-R509 IonicContact OD2-NH1 3.72Å; D152-R509 PolarHBondContact OD2-NH1 2.89Å; D152-R509 IonicContact OD2-NH2 3.9Å; D152-R509 PolarHBondContact OD2-NH2 3.32Å; I503-R509 PolarHBondContact O-NH1 3.11Å; N505-R509 HydrophobicContact CB-CB 4.48Å; N505-R509 HydrophobicContact CB-CG 4.04Å; N505-R509 PolarHBondContact O-N 3.25Å
510L68.9Low70.2Confident13 Ų1373.2 Ų73.27%0.06836%0.362CS..  trans-73.6131.8171-61.1171.4000109.4R100 Y115 E117 I164 D514 I515 M518R100-L510 VanDerWaalsContact NH1-CD2 3.29Å; Y115-L510 HydrophobicContact CD2-CD2 4.07Å; Y115-L510 HydrophobicContact CE2-CD2 4.05Å; Y115-L510 HydrophobicContact CG-CD2 4.44Å; E117-L510 HydrophobicContact CB-CD1 4.02Å; E117-L510 HydrophobicContact CG-CD1 4.1Å; I164-L510 HydrophobicContact CD1-CD1 4.15Å; L510-D514 HydrophobicContact CB-CB 4.12Å; L510-D514 HydrophobicContact CD2-CB 4.09Å; L510-I515 HydrophobicContact CB-CD1 4.32Å; L510-I515 HydrophobicContact CB-CG1 3.77Å; L510-I515 HydrophobicContact CD1-CG1 4.32Å; L510-M518 HydrophobicContact CD1-CE 4.16Å; L510-M518 HydrophobicContact CD1-SD 3.56Å; L510-M518 VanDerWaalsContact CD1-SD 3.56Å; L510-M518 HydrophobicContact CD2-CE 3.32Å; L510-M518 HydrophobicContact CD2-SD 3.82Å; L510-M518 HydrophobicContact CG-CE 4.38Å; L510-M518 HydrophobicContact CG-SD 4.31Å
511S78.8Confident70.7Confident44 Ų4469.7 Ų69.731%0.30835%0.347SS..  trans-70.7168168.989.10000110.4E513 D514 I515S511-E513 VanDerWaalsContact CB-OE2 3.25Å; S511-E513 WeakPolarHBondContact CB-OE2 3.41Å; S511-E513 PolarHBondContact O-N 3.35Å; S511-E513 PolarHBondContact OG-N 3.03Å; S511-E513 PolarHBondContact OG-OE2 2.83Å; S511-D514 PolarHBondContact N-OD2 3.46Å; S511-D514 PolarHBondContact O-N 3.37Å; S511-D514 PolarHBondContact OG-N 2.99Å; S511-I515 WeakPolarHBondContact O-CG1 3.22Å; S511-I515 PolarHBondContact O-N 3Å
512K78.1Confident71.2Confident161 Ų16169.7 Ų69.770%0.735%0.35SS*.Hα-helixtrans-60.1-39.2173.3-70-173.7179.1179.60111.1I515 E516K512-I515 PolarHBondContact O-N 3.37Å; K512-E516 WeakPolarHBondContact O-CB 3.22Å; K512-E516 WeakPolarHBondContact O-CG 3.43Å; K512-E516 PolarHBondContact O-N 3.24Å
513E82.7Confident72.2Confident130 Ų13072.7 Ų72.761%0.60736%0.359SS*.Hα-helixtrans-66.1-37.8177.2-55.773.1-159.900111.4S511 R517S511-E513 VanDerWaalsContact CB-OE2 3.25Å; S511-E513 WeakPolarHBondContact CB-OE2 3.41Å; S511-E513 PolarHBondContact O-N 3.35Å; S511-E513 PolarHBondContact OG-N 3.03Å; S511-E513 PolarHBondContact OG-OE2 2.83Å; E513-R517 WeakPolarHBondContact O-CB 3.24Å; E513-R517 PolarHBondContact O-N 3.46Å
514D83.1Confident73.5Confident37 Ų3778.4 Ų78.420%0.19838%0.384CS..Hα-helixtrans-64.3-44.8172-72.5-39000111.7L510 S511 R517 M518L510-D514 HydrophobicContact CB-CB 4.12Å; L510-D514 HydrophobicContact CD2-CB 4.09Å; S511-D514 PolarHBondContact N-OD2 3.46Å; S511-D514 PolarHBondContact O-N 3.37Å; S511-D514 PolarHBondContact OG-N 2.99Å; D514-R517 PolarHBondContact O-N 2.93Å; D514-R517 IonicContact OD1-CZ 2.75Å; D514-R517 IonicContact OD1-NH1 2.81Å; D514-R517 PolarHBondContact OD1-NH1 3.25Å; D514-R517 IonicContact OD1-NH2 2.71Å; D514-R517 PolarHBondContact OD1-NH2 3.01Å; D514-M518 WeakPolarHBondContact O-CB 3.38Å; D514-M518 VanDerWaalsContact O-CG 3.22Å; D514-M518 WeakPolarHBondContact O-CG 3.48Å; D514-M518 PolarHBondContact O-N 3.43Å
515I78.4Confident75Confident24 Ų2475.8 Ų75.812%0.12337%0.367CS..Hα-helixtrans-61.8-46.6177.2-67.2170.2000110.1D160 T163 I164 L510 S511 K512 R517 M518 V519D160-I515 HydrophobicContact CB-CD1 4.29Å; T163-I515 HydrophobicContact CG2-CG2 3.9Å; I164-I515 HydrophobicContact CG1-CG2 4.42Å; L510-I515 HydrophobicContact CB-CD1 4.32Å; L510-I515 HydrophobicContact CB-CG1 3.77Å; L510-I515 HydrophobicContact CD1-CG1 4.32Å; S511-I515 WeakPolarHBondContact O-CG1 3.22Å; S511-I515 PolarHBondContact O-N 3Å; K512-I515 PolarHBondContact O-N 3.37Å; I515-R517 VanDerWaalsContact C-N 3.35Å; I515-R517 PolarHBondContact O-N 3.1Å; I515-M518 CarbonylContact O-C 3.56Å; I515-M518 PolarHBondContact O-N 3.33Å; I515-V519 HydrophobicContact CG2-CG2 4.26Å; I515-V519 VanDerWaalsContact O-CG2 3.25Å; I515-V519 WeakPolarHBondContact O-CG2 3.41Å; I515-V519 PolarHBondContact O-N 2.9Å
516E82Confident76.7Confident120 Ų12077 Ų7756%0.56137%0.37SS*.Hα-helixtrans-60.9-42.8177.3-75.9175.9-168.900111.8K512 M518 V519 Q520K512-E516 WeakPolarHBondContact O-CB 3.22Å; K512-E516 WeakPolarHBondContact O-CG 3.43Å; K512-E516 PolarHBondContact O-N 3.24Å; E516-M518 PolarHBondContact O-N 3.08Å; E516-V519 PolarHBondContact O-N 2.69Å; E516-Q520 VanDerWaalsContact O-CG 3.32Å; E516-Q520 WeakPolarHBondContact O-CG 2.93Å; E516-Q520 PolarHBondContact O-N 2.95Å
517R89.4Confident78.4Confident110 Ų11072.6 Ų72.642%0.41535%0.354SS..Hα-helixtrans-59.7-45.7173-176-178.368.3-121.2-8111.2E513 D514 I515 Q520 E521E513-R517 WeakPolarHBondContact O-CB 3.24Å; E513-R517 PolarHBondContact O-N 3.46Å; D514-R517 PolarHBondContact O-N 2.93Å; D514-R517 IonicContact OD1-CZ 2.75Å; D514-R517 IonicContact OD1-NH1 2.81Å; D514-R517 PolarHBondContact OD1-NH1 3.25Å; D514-R517 IonicContact OD1-NH2 2.71Å; D514-R517 PolarHBondContact OD1-NH2 3.01Å; I515-R517 VanDerWaalsContact C-N 3.35Å; I515-R517 PolarHBondContact O-N 3.1Å; R517-Q520 WeakPolarHBondContact O-CB 3.4Å; R517-Q520 PolarHBondContact O-N 3.48Å; R517-E521 WeakPolarHBondContact CG-OE1 3.49Å; R517-E521 IonicContact NE-OE1 2.66Å; R517-E521 WeakPolarHBondContact O-CG 3.09Å; R517-E521 PolarHBondContact O-N 3.42Å
518M86.1Confident80Confident3 Ų366 Ų662%0.01533%0.326CS..Hα-helixtrans-66.6-35.8178.9-72.8173.9-179.900112.9Y115 E118 I164 L510 D514 I515 E516 E521 A522Y115-M518 HydrophobicContact CD2-CE 3.33Å; Y115-M518 HydrophobicContact CE2-CE 3.83Å; Y115-M518 HydrophobicContact CG-CE 4.27Å; E118-M518 HydrophobicContact CG-CE 3.92Å; E118-M518 HydrophobicContact CG-CG 3.99Å; E118-M518 HydrophobicContact CG-SD 3.62Å; E118-M518 WeakPolarHBondContact OE2-CE 3Å; I164-M518 HydrophobicContact CD1-CB 4Å; I164-M518 HydrophobicContact CD1-CG 4.5Å; I164-M518 HydrophobicContact CD1-SD 3.69Å; I164-M518 HydrophobicContact CG1-CB 3.93Å; I164-M518 HydrophobicContact CG2-CB 4.08Å; L510-M518 HydrophobicContact CD1-CE 4.16Å; L510-M518 HydrophobicContact CD1-SD 3.56Å; L510-M518 VanDerWaalsContact CD1-SD 3.56Å; L510-M518 HydrophobicContact CD2-CE 3.32Å; L510-M518 HydrophobicContact CD2-SD 3.82Å; L510-M518 HydrophobicContact CG-CE 4.38Å; L510-M518 HydrophobicContact CG-SD 4.31Å; D514-M518 WeakPolarHBondContact O-CB 3.38Å; D514-M518 VanDerWaalsContact O-CG 3.22Å; D514-M518 WeakPolarHBondContact O-CG 3.48Å; D514-M518 PolarHBondContact O-N 3.43Å; I515-M518 CarbonylContact O-C 3.56Å; I515-M518 PolarHBondContact O-N 3.33Å; E516-M518 PolarHBondContact O-N 3.08Å; M518-E521 PolarHBondContact O-N 2.93Å; M518-A522 VanDerWaalsContact O-CB 3.24Å; M518-A522 WeakPolarHBondContact O-CB 3.35Å; M518-A522 PolarHBondContact O-N 3.03Å
519V81.1Confident81.1Confident34 Ų3466.1 Ų66.121%0.20632%0.32CS..Hα-helixtrans-61.2-47.6171.91690000109.6I515 E516 E521 A522 E523I515-V519 HydrophobicContact CG2-CG2 4.26Å; I515-V519 VanDerWaalsContact O-CG2 3.25Å; I515-V519 WeakPolarHBondContact O-CG2 3.41Å; I515-V519 PolarHBondContact O-N 2.9Å; E516-V519 PolarHBondContact O-N 2.69Å; V519-E521 VanDerWaalsContact C-N 3.34Å; V519-E521 PolarHBondContact O-N 3.03Å; V519-A522 PolarHBondContact O-N 3.34Å; V519-E523 WeakPolarHBondContact O-CG 3.49Å; V519-E523 PolarHBondContact O-N 2.76Å
520Q85.6Confident81.7Confident126 Ų12668.1 Ų68.159%0.58933%0.331SS*.Hα-helixtrans-62.1-41177-68.8170.615.800112.2E516 R517 E523 K524E516-Q520 VanDerWaalsContact O-CG 3.32Å; E516-Q520 WeakPolarHBondContact O-CG 2.93Å; E516-Q520 PolarHBondContact O-N 2.95Å; R517-Q520 WeakPolarHBondContact O-CB 3.4Å; R517-Q520 PolarHBondContact O-N 3.48Å; Q520-E523 PolarHBondContact O-N 3.2Å; Q520-K524 WeakPolarHBondContact O-CB 3.14Å; Q520-K524 PolarHBondContact O-N 3.11Å
521E85.4Confident82.5Confident64 Ų6472.9 Ų72.930%0.29935%0.351SS..Hα-helixtrans-65.7-41.2175-72.7177.7-163.300111.8R517 M518 V519 K524 Y525R517-E521 WeakPolarHBondContact CG-OE1 3.49Å; R517-E521 IonicContact NE-OE1 2.66Å; R517-E521 WeakPolarHBondContact O-CG 3.09Å; R517-E521 PolarHBondContact O-N 3.42Å; M518-E521 PolarHBondContact O-N 2.93Å; V519-E521 VanDerWaalsContact C-N 3.34Å; V519-E521 PolarHBondContact O-N 3.03Å; E521-K524 WeakPolarHBondContact O-CB 3.5Å; E521-K524 PolarHBondContact O-N 2.83Å; E521-Y525 HydrophobicContact CB-CE2 4.18Å; E521-Y525 WeakPolarHBondContact O-CD2 3.28Å; E521-Y525 PolarHBondContact O-N 3.05Å
522A76.8Confident82.6Confident18 Ų1872.9 Ų72.915%0.14935%0.346CS..Hα-helixtrans-63-41.9175.200000111.8I164 M518 V519 Y525 K526I164-A522 HydrophobicContact CG2-CB 3.96Å; M518-A522 VanDerWaalsContact O-CB 3.24Å; M518-A522 WeakPolarHBondContact O-CB 3.35Å; M518-A522 PolarHBondContact O-N 3.03Å; V519-A522 PolarHBondContact O-N 3.34Å; A522-Y525 PolarHBondContact O-N 3.34Å; A522-K526 WeakPolarHBondContact O-CB 3.49Å; A522-K526 PolarHBondContact O-N 3.44Å
523E82.9Confident82.8Confident127 Ų12772.4 Ų72.459%0.59334%0.34SS*.Hα-helixtrans-62.7-41.8173.3-74.7-179167.400112V519 Q520 K526 A527V519-E523 WeakPolarHBondContact O-CG 3.49Å; V519-E523 PolarHBondContact O-N 2.76Å; Q520-E523 PolarHBondContact O-N 3.2Å; E523-K526 PolarHBondContact O-N 2.87Å; E523-A527 PolarHBondContact O-N 2.95Å
524K87.1Confident82.9Confident123 Ų12369 Ų6954%0.53533%0.326SS..Hα-helixtrans-60-49173.7179.6-174.4173.2-176.70111.3Q520 E521 K526 A527 E528Q520-K524 WeakPolarHBondContact O-CB 3.14Å; Q520-K524 PolarHBondContact O-N 3.11Å; E521-K524 WeakPolarHBondContact O-CB 3.5Å; E521-K524 PolarHBondContact O-N 2.83Å; K524-K526 VanDerWaalsContact C-N 3.31Å; K524-K526 PolarHBondContact O-N 3.36Å; K524-A527 PolarHBondContact O-N 3.33Å; K524-E528 WeakPolarHBondContact CE-OE1 3.13Å; K524-E528 WeakPolarHBondContact O-CG 3.48Å; K524-E528 PolarHBondContact O-N 2.99Å
525Y81.8Confident83Confident17 Ų1768.6 Ų68.67%0.06732%0.322CS..Hα-helixtrans-63.8-38.2178.5-65-47.7000111.9Y107 K112 F114 E521 A522 A527 E528 D529Y107-Y525 HydrophobicContact CE1-CD1 4.2Å; Y107-Y525 AromaticContact CE1-CE1 3.85Å; Y107-Y525 HydrophobicContact CE1-CE1 3.85Å; K112-Y525 PolarHBondContact NZ-OH 3.41Å; F114-Y525 HydrophobicContact CE1-CE2 4.14Å; E521-Y525 HydrophobicContact CB-CE2 4.18Å; E521-Y525 WeakPolarHBondContact O-CD2 3.28Å; E521-Y525 PolarHBondContact O-N 3.05Å; A522-Y525 PolarHBondContact O-N 3.34Å; Y525-A527 VanDerWaalsContact C-N 3.34Å; Y525-A527 PolarHBondContact O-N 2.74Å; Y525-E528 WeakPolarHBondContact O-CB 3.49Å; Y525-E528 PolarHBondContact O-N 3.23Å; Y525-D529 PolarHBondContact O-N 2.8Å
526K80.6Confident83.1Confident64 Ų6470.4 Ų70.428%0.27833%0.334SS..Hα-helixtrans-59-44.9173.6-176.7-176.8176.2-175.50111.7A522 E523 K524 E528 D529 E530A522-K526 WeakPolarHBondContact O-CB 3.49Å; A522-K526 PolarHBondContact O-N 3.44Å; E523-K526 PolarHBondContact O-N 2.87Å; K524-K526 VanDerWaalsContact C-N 3.31Å; K524-K526 PolarHBondContact O-N 3.36Å; K526-E528 VanDerWaalsContact C-N 3.3Å; K526-E528 PolarHBondContact O-N 2.79Å; K526-D529 PolarHBondContact O-N 3.4Å; K526-E530 WeakPolarHBondContact CE-OE1 3.49Å; K526-E530 IonicContact NZ-OE1 2.77Å; K526-E530 WeakPolarHBondContact O-CB 3.28Å; K526-E530 WeakPolarHBondContact O-CG 3.42Å; K526-E530 PolarHBondContact O-N 2.89Å
527A84.1Confident83.1Confident56 Ų5667.8 Ų67.846%0.46333%0.329SS..Hα-helixtrans-63.7-35.6176.900000112.4E523 K524 Y525 K531E523-A527 PolarHBondContact O-N 2.95Å; K524-A527 PolarHBondContact O-N 3.33Å; Y525-A527 VanDerWaalsContact C-N 3.34Å; Y525-A527 PolarHBondContact O-N 2.74Å; A527-K531 PolarHBondContact O-N 2.94Å
528E83.3Confident82.9Confident52 Ų5263.2 Ų63.224%0.24331%0.314CS..Hα-helixtrans-64.6-45.6172.3-68.1176.1-170.700111.6Y107 K108 K524 Y525 K526 E530 K531 Q532Y107-E528 PolarHBondContact OH-OE2 3.21Å; K108-E528 IonicContact NZ-OE2 3.72Å; K108-E528 PolarHBondContact NZ-OE2 2.83Å; K524-E528 WeakPolarHBondContact CE-OE1 3.13Å; K524-E528 WeakPolarHBondContact O-CG 3.48Å; K524-E528 PolarHBondContact O-N 2.99Å; Y525-E528 WeakPolarHBondContact O-CB 3.49Å; Y525-E528 PolarHBondContact O-N 3.23Å; K526-E528 VanDerWaalsContact C-N 3.3Å; K526-E528 PolarHBondContact O-N 2.79Å; E528-E530 VanDerWaalsContact C-N 3.35Å; E528-E530 PolarHBondContact O-N 3.34Å; E528-K531 PolarHBondContact O-N 3.36Å; E528-Q532 PolarHBondContact O-N 3.46Å
529D77.9Confident82.9Confident32 Ų3264.8 Ų64.817%0.17132%0.321CS..Hα-helixtrans-62.9-40.7177.7-64.9-20.1000110.8R49 Y525 K526 Q532 R533R49-D529 IonicContact CZ-OD2 2.71Å; R49-D529 IonicContact NE-OD2 3.67Å; R49-D529 IonicContact NH2-OD2 2.67Å; R49-D529 PolarHBondContact NH2-OD2 3.49Å; Y525-D529 PolarHBondContact O-N 2.8Å; K526-D529 PolarHBondContact O-N 3.4Å; D529-Q532 PolarHBondContact O-N 2.75Å; D529-R533 WeakPolarHBondContact O-CB 3.37Å; D529-R533 PolarHBondContact O-N 2.87Å
530E82.3Confident83Confident76 Ų7666.7 Ų66.736%0.35533%0.33SS..Hα-helixtrans-63.9-44.2174.3-76.4179.4174.500112.2K526 E528 Q532 R533 D534K526-E530 WeakPolarHBondContact CE-OE1 3.49Å; K526-E530 IonicContact NZ-OE1 2.77Å; K526-E530 WeakPolarHBondContact O-CB 3.28Å; K526-E530 WeakPolarHBondContact O-CG 3.42Å; K526-E530 PolarHBondContact O-N 2.89Å; E528-E530 VanDerWaalsContact C-N 3.35Å; E528-E530 PolarHBondContact O-N 3.34Å; E530-Q532 VanDerWaalsContact C-N 3.29Å; E530-Q532 PolarHBondContact O-N 3.33Å; E530-R533 PolarHBondContact O-N 3.26Å; E530-D534 WeakPolarHBondContact O-CB 3.45Å; E530-D534 PolarHBondContact O-N 3.4Å
531K85.1Confident82.9Confident112 Ų11263.2 Ų63.249%0.48732%0.319SS..Hα-helixtrans-60-42.6175.6-172.7-172.6174.4-158.90111A527 E528 D534 K535 E588A527-K531 PolarHBondContact O-N 2.94Å; E528-K531 PolarHBondContact O-N 3.36Å; K531-D534 PolarHBondContact O-N 3.2Å; K531-K535 WeakPolarHBondContact O-CB 3.27Å; K531-K535 PolarHBondContact O-N 2.75Å; K531-E588 IonicContact NZ-OE2 3.73Å; K531-E588 PolarHBondContact NZ-OE2 2.84Å
532Q81.8Confident83.2Confident44 Ų4460.1 Ų60.121%0.20631%0.305CS..Hα-helixtrans-66.6-42178.1-177.966.3-4.100111.6E48 E528 D529 E530 D534 K535 V536E48-Q532 HydrophobicContact CB-CG 4.25Å; E528-Q532 PolarHBondContact O-N 3.46Å; D529-Q532 PolarHBondContact O-N 2.75Å; E530-Q532 VanDerWaalsContact C-N 3.29Å; E530-Q532 PolarHBondContact O-N 3.33Å; Q532-D534 PolarHBondContact O-N 2.69Å; Q532-K535 WeakPolarHBondContact O-CB 3.48Å; Q532-K535 PolarHBondContact O-N 3.11Å; Q532-V536 WeakPolarHBondContact O-CG2 3.41Å; Q532-V536 PolarHBondContact O-N 2.82Å
533R81.3Confident83.7Confident152 Ų15262.8 Ų62.857%0.57431%0.314SS*.Hα-helixtrans-59.4-46.3174.4-175.1-173.867.5-164.9-4.3111.6D529 E530 K535 V536 S537D529-R533 WeakPolarHBondContact O-CB 3.37Å; D529-R533 PolarHBondContact O-N 2.87Å; E530-R533 PolarHBondContact O-N 3.26Å; R533-K535 VanDerWaalsContact C-N 3.34Å; R533-K535 PolarHBondContact O-N 3.16Å; R533-V536 PolarHBondContact O-N 2.85Å; R533-S537 WeakPolarHBondContact O-CB 3.25Å; R533-S537 PolarHBondContact O-N 3.11Å
534D84.4Confident83.8Confident58 Ų5859.7 Ų59.731%0.3131%0.307SS..Hα-helixtrans-60.3-43.8176.8-86.119.5000111.7E530 K531 Q532 S537 S538 K589E530-D534 WeakPolarHBondContact O-CB 3.45Å; E530-D534 PolarHBondContact O-N 3.4Å; K531-D534 PolarHBondContact O-N 3.2Å; Q532-D534 PolarHBondContact O-N 2.69Å; D534-S537 WeakPolarHBondContact O-CB 3.05Å; D534-S537 PolarHBondContact O-N 3.03Å; D534-S538 PolarHBondContact O-N 2.9Å; D534-S538 PolarHBondContact O-OG 3.09Å; D534-K589 HydrophobicContact CB-CD 4.12Å; D534-K589 IonicContact OD2-NZ 3.63Å; D534-K589 PolarHBondContact OD2-NZ 3.01Å
535K85.7Confident83.9Confident29 Ų2956.1 Ų56.113%0.12629%0.29CS..Hα-helixtrans-57.8-49.2175.6179.5-174.9-171.1164.80111.7K531 Q532 R533 S537 S538 K539 T586 A587 E588 F592K531-K535 WeakPolarHBondContact O-CB 3.27Å; K531-K535 PolarHBondContact O-N 2.75Å; Q532-K535 WeakPolarHBondContact O-CB 3.48Å; Q532-K535 PolarHBondContact O-N 3.11Å; R533-K535 VanDerWaalsContact C-N 3.34Å; R533-K535 PolarHBondContact O-N 3.16Å; K535-S537 VanDerWaalsContact C-N 3.34Å; K535-S538 PolarHBondContact O-N 2.82Å; K535-K539 PolarHBondContact O-N 3.26Å; K535-T586 PolarHBondContact NZ-O 3.33Å; K535-A587 WeakPolarHBondContact CE-O 3.26Å; K535-A587 PolarHBondContact NZ-O 2.91Å; K535-E588 IonicContact NZ-OE1 3.09Å; K535-E588 PolarHBondContact NZ-OE1 2.85Å; K535-F592 HydrophobicContact CG-CD2 4.38Å; K535-F592 HydrophobicContact CG-CE2 4.02Å
536V80.6Confident84.3Confident62 Ų6255.3 Ų55.338%0.37629%0.287SS..Hα-helixtrans-64.3-39.4177.5173.30000111.2Q532 R533 K539 N540Q532-V536 WeakPolarHBondContact O-CG2 3.41Å; Q532-V536 PolarHBondContact O-N 2.82Å; R533-V536 PolarHBondContact O-N 2.85Å; V536-K539 WeakPolarHBondContact O-CB 3.45Å; V536-K539 PolarHBondContact O-N 3.36Å; V536-N540 WeakPolarHBondContact O-CB 3.3Å; V536-N540 VanDerWaalsContact O-CG 3.22Å; V536-N540 PolarHBondContact O-N 3.27Å; V536-N540 PolarHBondContact O-OD1 3.02Å
537S81.3Confident84.7Confident65 Ų6556.9 Ų56.946%0.45529%0.294SS..Hα-helixtrans-61.5-46176-173.40000112.2R533 D534 K535 K539 N540 S541R533-S537 WeakPolarHBondContact O-CB 3.25Å; R533-S537 PolarHBondContact O-N 3.11Å; D534-S537 WeakPolarHBondContact O-CB 3.05Å; D534-S537 PolarHBondContact O-N 3.03Å; K535-S537 VanDerWaalsContact C-N 3.34Å; S537-K539 PolarHBondContact O-N 3.47Å; S537-N540 PolarHBondContact O-N 2.75Å; S537-S541 WeakPolarHBondContact O-CB 3.31Å; S537-S541 PolarHBondContact O-N 3.36Å; S537-S541 PolarHBondContact O-OG 3.32Å
538S84.9Confident84.9Confident14 Ų1459 Ų5910%0.09830%0.297CS..Hα-helixtrans-63.8-39.9176.6-63.60000112D534 K535 S541 L542D534-S538 PolarHBondContact O-N 2.9Å; D534-S538 PolarHBondContact O-OG 3.09Å; K535-S538 PolarHBondContact O-N 2.82Å; S538-S541 PolarHBondContact O-N 3.49Å; S538-L542 WeakPolarHBondContact O-CB 3.31Å; S538-L542 PolarHBondContact O-N 3.07Å
539K86.6Confident85.2Confident35 Ų3557.5 Ų57.515%0.15229%0.291CS..Hα-helixtrans-60.5-51.5173.6-177.8-172.1171.9-166.60111.9K535 V536 S537 S541 L542 E543 L581 F592K535-K539 PolarHBondContact O-N 3.26Å; V536-K539 WeakPolarHBondContact O-CB 3.45Å; V536-K539 PolarHBondContact O-N 3.36Å; S537-K539 PolarHBondContact O-N 3.47Å; K539-S541 VanDerWaalsContact C-N 3.26Å; K539-S541 PolarHBondContact O-N 2.83Å; K539-L542 WeakPolarHBondContact O-CB 3.31Å; K539-L542 PolarHBondContact O-N 2.89Å; K539-E543 WeakPolarHBondContact O-CB 3.41Å; K539-E543 PolarHBondContact O-N 3.44Å; K539-L581 HydrophobicContact CG-CD2 3.94Å; K539-F592 HydrophobicContact CB-CD1 4.08Å; K539-F592 HydrophobicContact CB-CD2 3.88Å; K539-F592 HydrophobicContact CB-CE1 4.01Å; K539-F592 HydrophobicContact CB-CE2 3.75Å; K539-F592 HydrophobicContact CB-CG 4.06Å; K539-F592 HydrophobicContact CB-CZ 3.84Å; K539-F592 HydrophobicContact CD-CE1 4.3Å; K539-F592 HydrophobicContact CD-CE2 4.44Å; K539-F592 HydrophobicContact CD-CZ 3.93Å; K539-F592 HydrophobicContact CG-CD1 4.2Å; K539-F592 HydrophobicContact CG-CE1 3.78Å; K539-F592 HydrophobicContact CG-CE2 4.24Å; K539-F592 HydrophobicContact CG-CZ 3.8Å
540N83.9Confident85.8Confident74 Ų7458.4 Ų58.440%0.39629%0.293SS..Hα-helixtrans-63.7-34.9-179.5-68.9-6000111.5V536 S537 S544V536-N540 WeakPolarHBondContact O-CB 3.3Å; V536-N540 VanDerWaalsContact O-CG 3.22Å; V536-N540 PolarHBondContact O-N 3.27Å; V536-N540 PolarHBondContact O-OD1 3.02Å; S537-N540 PolarHBondContact O-N 2.75Å; N540-S544 WeakPolarHBondContact O-CB 3.41Å; N540-S544 PolarHBondContact O-N 2.96Å; N540-S544 PolarHBondContact O-OG 3.19Å
541S83.8Confident86.1Confident53 Ų5357.6 Ų57.637%0.37130%0.3SS..Hα-helixtrans-64.6-46.5175.2-61.40000111.4S537 S538 K539 Y545S537-S541 WeakPolarHBondContact O-CB 3.31Å; S537-S541 PolarHBondContact O-N 3.36Å; S537-S541 PolarHBondContact O-OG 3.32Å; S538-S541 PolarHBondContact O-N 3.49Å; K539-S541 VanDerWaalsContact C-N 3.26Å; K539-S541 PolarHBondContact O-N 2.83Å; S541-Y545 VanDerWaalsContact O-CB 3.28Å; S541-Y545 WeakPolarHBondContact O-CB 3.26Å; S541-Y545 PolarHBondContact O-N 3.11Å
542L90.5Very high86.2Confident0 Ų054.9 Ų54.90%029%0.293CS..Hα-helixtrans-60.1-48.6174.7174.856.8000111.8S538 K539 Y545 A546 I577 W580 L581 F592 Q595 Q596 L599S538-L542 WeakPolarHBondContact O-CB 3.31Å; S538-L542 PolarHBondContact O-N 3.07Å; K539-L542 WeakPolarHBondContact O-CB 3.31Å; K539-L542 PolarHBondContact O-N 2.89Å; L542-Y545 PolarHBondContact O-N 3.05Å; L542-A546 WeakPolarHBondContact O-CB 3.36Å; L542-A546 PolarHBondContact O-N 3.18Å; L542-I577 HydrophobicContact CD1-CG2 3.59Å; L542-I577 HydrophobicContact CD2-CG2 4.14Å; L542-I577 HydrophobicContact CG-CG2 3.86Å; L542-W580 HydrophobicContact CD2-CZ3 4.38Å; L542-L581 HydrophobicContact CD2-CD1 4.46Å; L542-L581 HydrophobicContact CD2-CD2 3.9Å; L542-L581 HydrophobicContact CD2-CG 4.21Å; L542-L581 HydrophobicContact CG-CD1 4.19Å; L542-L581 HydrophobicContact CG-CD2 4.36Å; L542-L581 HydrophobicContact CG-CG 4.47Å; L542-F592 HydrophobicContact CD2-CD1 4.19Å; L542-Q595 HydrophobicContact CD1-CB 4.45Å; L542-Q595 HydrophobicContact CD2-CB 3.6Å; L542-Q596 HydrophobicContact CD1-CB 3.85Å; L542-Q596 HydrophobicContact CD1-CG 4.31Å; L542-L599 HydrophobicContact CD1-CD2 4.4Å
543E86.9Confident86.5Confident73 Ų7353 Ų5334%0.34128%0.284SS..Hα-helixtrans-60.1-50179-175.6172.5-15900111.3K539 Y545 A546 F547 L581K539-E543 WeakPolarHBondContact O-CB 3.41Å; K539-E543 PolarHBondContact O-N 3.44Å; E543-Y545 VanDerWaalsContact C-N 3.33Å; E543-Y545 PolarHBondContact O-N 2.99Å; E543-A546 PolarHBondContact O-N 3.27Å; E543-F547 HydrophobicContact CG-CD2 3.7Å; E543-F547 HydrophobicContact CG-CE2 3.57Å; E543-F547 VanDerWaalsContact O-CD2 3.24Å; E543-F547 WeakPolarHBondContact O-CD2 3.01Å; E543-F547 PolarHBondContact O-N 3.46Å; E543-L581 HydrophobicContact CB-CD1 3.81Å; E543-L581 HydrophobicContact CG-CD1 4.25Å
544S86.7Confident86.7Confident63 Ų6350.3 Ų50.344%0.44128%0.278SS..Hα-helixtrans-60.2-42.5177.7-60.50000111.6N540 F547 N548N540-S544 WeakPolarHBondContact O-CB 3.41Å; N540-S544 PolarHBondContact O-N 2.96Å; N540-S544 PolarHBondContact O-OG 3.19Å; S544-F547 PolarHBondContact O-N 3.02Å; S544-N548 WeakPolarHBondContact O-CB 3.47Å; S544-N548 PolarHBondContact O-N 2.76Å; S544-N548 PolarHBondContact O-ND2 2.78Å; S544-N548 VanDerWaalsContact O-ND2 3.13Å
545Y88.2Confident86.8Confident47 Ų4750.8 Ų50.818%0.18428%0.281CS..Hα-helixtrans-63.8-44.8177.7-174.7-108.8000111.5S541 L542 E543 N548 M549 L599 E600 N604S541-Y545 VanDerWaalsContact O-CB 3.28Å; S541-Y545 WeakPolarHBondContact O-CB 3.26Å; S541-Y545 PolarHBondContact O-N 3.11Å; L542-Y545 PolarHBondContact O-N 3.05Å; E543-Y545 VanDerWaalsContact C-N 3.33Å; E543-Y545 PolarHBondContact O-N 2.99Å; Y545-N548 PolarHBondContact O-N 3.19Å; Y545-M549 HydrophobicContact CD1-CG 4.32Å; Y545-M549 HydrophobicContact CD2-CG 4.22Å; Y545-M549 HydrophobicContact CE1-CG 4.02Å; Y545-M549 HydrophobicContact CE2-CG 3.91Å; Y545-M549 HydrophobicContact CE2-SD 4.05Å; Y545-M549 HydrophobicContact CG-CG 4.4Å; Y545-M549 WeakPolarHBondContact O-CB 3.33Å; Y545-M549 WeakPolarHBondContact O-CG 3.1Å; Y545-M549 PolarHBondContact O-N 3.02Å; Y545-L599 HydrophobicContact CD1-CB 4.48Å; Y545-L599 HydrophobicContact CD1-CD2 3.54Å; Y545-L599 HydrophobicContact CD1-CG 3.9Å; Y545-L599 HydrophobicContact CE1-CB 4.33Å; Y545-L599 HydrophobicContact CE1-CD2 3.95Å; Y545-L599 HydrophobicContact CE1-CG 3.77Å; Y545-E600 HydrophobicContact CD1-CG 4.43Å; Y545-E600 HydrophobicContact CE1-CG 3.64Å; Y545-N604 PolarHBondContact OH-OD1 3.07Å
546A90.7Very high86.6Confident0 Ų056.7 Ų56.70%031%0.308CS..Hα-helixtrans-60.6-46.4176.700000112.5L542 E543 M549 K550 I577 I578 L599L542-A546 WeakPolarHBondContact O-CB 3.36Å; L542-A546 PolarHBondContact O-N 3.18Å; E543-A546 PolarHBondContact O-N 3.27Å; A546-M549 PolarHBondContact O-N 2.97Å; A546-K550 WeakPolarHBondContact O-CB 3.38Å; A546-K550 PolarHBondContact O-N 3.23Å; A546-I577 HydrophobicContact CB-CG2 4.22Å; A546-I578 HydrophobicContact CB-CD1 4.5Å; A546-I578 HydrophobicContact CB-CG1 4.13Å; A546-L599 HydrophobicContact CB-CD2 3.77Å
547F88.6Confident86.5Confident98 Ų9861.5 Ų61.543%0.4332%0.324SS..Hα-helixtrans-67.2-42.3177.4-79.6-66.5000112.7E543 S544 M549 K550 A551 I578E543-F547 HydrophobicContact CG-CD2 3.7Å; E543-F547 HydrophobicContact CG-CE2 3.57Å; E543-F547 VanDerWaalsContact O-CD2 3.24Å; E543-F547 WeakPolarHBondContact O-CD2 3.01Å; E543-F547 PolarHBondContact O-N 3.46Å; S544-F547 PolarHBondContact O-N 3.02Å; F547-M549 VanDerWaalsContact C-N 3.32Å; F547-M549 PolarHBondContact O-N 3.05Å; F547-K550 PolarHBondContact O-N 2.82Å; F547-A551 WeakPolarHBondContact O-CB 3.47Å; F547-A551 PolarHBondContact O-N 3.44Å; F547-I578 HydrophobicContact CD1-CD1 4.28Å; F547-I578 HydrophobicContact CE1-CD1 3.98Å; F547-I578 HydrophobicContact CZ-CD1 4.18Å; F547-I578 HydrophobicContact CZ-CG1 4.46Å
548N88.6Confident86.1Confident99 Ų9959.9 Ų59.953%0.52931%0.31SS..Hα-helixtrans-62.9-40.3177.2-75.1-25.3000111.5S544 Y545 A551 T552S544-N548 WeakPolarHBondContact O-CB 3.47Å; S544-N548 PolarHBondContact O-N 2.76Å; S544-N548 PolarHBondContact O-ND2 2.78Å; S544-N548 VanDerWaalsContact O-ND2 3.13Å; Y545-N548 PolarHBondContact O-N 3.19Å; N548-A551 PolarHBondContact O-N 2.97Å; N548-T552 VanDerWaalsContact O-CB 3.31Å; N548-T552 WeakPolarHBondContact O-CB 3.37Å; N548-T552 PolarHBondContact O-N 3.21Å; N548-T552 PolarHBondContact O-OG1 3Å
549M89.6Confident85.3Confident22 Ų2265.3 Ų65.311%0.10833%0.334CS..Hα-helixtrans-67.3-43.5177.2-68.8-70.571.900112.3Y545 A546 F547 T552 V553 I570 C603 I607Y545-M549 HydrophobicContact CD1-CG 4.32Å; Y545-M549 HydrophobicContact CD2-CG 4.22Å; Y545-M549 HydrophobicContact CE1-CG 4.02Å; Y545-M549 HydrophobicContact CE2-CG 3.91Å; Y545-M549 HydrophobicContact CE2-SD 4.05Å; Y545-M549 HydrophobicContact CG-CG 4.4Å; Y545-M549 WeakPolarHBondContact O-CB 3.33Å; Y545-M549 WeakPolarHBondContact O-CG 3.1Å; Y545-M549 PolarHBondContact O-N 3.02Å; A546-M549 PolarHBondContact O-N 2.97Å; F547-M549 VanDerWaalsContact C-N 3.32Å; F547-M549 PolarHBondContact O-N 3.05Å; M549-T552 HydrophobicContact CE-CG2 4.19Å; M549-T552 PolarHBondContact O-N 2.98Å; M549-V553 WeakPolarHBondContact O-CG2 3.25Å; M549-V553 PolarHBondContact O-N 3.5Å; M549-I570 HydrophobicContact CB-CG2 4.47Å; M549-C603 HydrophobicContact SD-CB 4.18Å; M549-I607 HydrophobicContact CE-CD1 3.64Å; M549-I607 HydrophobicContact SD-CD1 3.28Å; M549-I607 WeakPolarHBondContact SD-CD1 3.44Å
550K89.6Confident84.5Confident51 Ų5167.5 Ų67.522%0.22237%0.367CS..Hα-helixtrans-57.2-51172.8-174.8168.2-178.6173.70111.9A546 F547 T552 V553 E554 L571 C574 N575A546-K550 WeakPolarHBondContact O-CB 3.38Å; A546-K550 PolarHBondContact O-N 3.23Å; F547-K550 PolarHBondContact O-N 2.82Å; K550-T552 VanDerWaalsContact C-N 3.32Å; K550-T552 PolarHBondContact O-N 3Å; K550-V553 WeakPolarHBondContact O-CG2 3.25Å; K550-V553 PolarHBondContact O-N 2.89Å; K550-E554 WeakPolarHBondContact CE-OE1 3.44Å; K550-E554 WeakPolarHBondContact O-CB 3.36Å; K550-E554 VanDerWaalsContact O-CG 3.3Å; K550-E554 WeakPolarHBondContact O-CG 3.46Å; K550-E554 PolarHBondContact O-N 2.92Å; K550-E554 VanDerWaalsContact O-N 3.1Å; K550-L571 HydrophobicContact CG-CD2 3.77Å; K550-C574 HydrophobicContact CB-CB 4.32Å; K550-N575 PolarHBondContact NZ-OD1 2.82Å
551A88.8Confident84.4Confident59 Ų5970.5 Ų70.549%0.48838%0.376SS..Hα-helixtrans-61.4-39.517800000112.4F547 N548 E554 D555F547-A551 WeakPolarHBondContact O-CB 3.47Å; F547-A551 PolarHBondContact O-N 3.44Å; N548-A551 PolarHBondContact O-N 2.97Å; A551-E554 PolarHBondContact O-N 2.93Å; A551-D555 PolarHBondContact O-N 2.85Å
552T87.2Confident84.4Confident55 Ų5568.9 Ų68.934%0.33736%0.363SS..Hα-helixtrans-61.5-50178.4-60.50000110.9N548 M549 K550 E554 D555 L558N548-T552 VanDerWaalsContact O-CB 3.31Å; N548-T552 WeakPolarHBondContact O-CB 3.37Å; N548-T552 PolarHBondContact O-N 3.21Å; N548-T552 PolarHBondContact O-OG1 3Å; M549-T552 HydrophobicContact CE-CG2 4.19Å; M549-T552 PolarHBondContact O-N 2.98Å; K550-T552 VanDerWaalsContact C-N 3.32Å; K550-T552 PolarHBondContact O-N 3Å; T552-E554 VanDerWaalsContact C-N 3.25Å; T552-E554 PolarHBondContact O-N 2.99Å; T552-D555 WeakPolarHBondContact O-CB 3.28Å; T552-D555 PolarHBondContact O-N 3.42Å; T552-L558 HydrophobicContact CG2-CD1 3.59Å; T552-L558 WeakPolarHBondContact O-CD1 3.42Å
553V87.8Confident84.3Confident5 Ų572.9 Ų72.93%0.0339%0.385CS..Hα-helixtrans-74.9-15.8-177.9-58.50000113.8M549 K550 I562 K567 I570 L571M549-V553 WeakPolarHBondContact O-CG2 3.25Å; M549-V553 PolarHBondContact O-N 3.5Å; K550-V553 WeakPolarHBondContact O-CG2 3.25Å; K550-V553 PolarHBondContact O-N 2.89Å; V553-I562 HydrophobicContact CG1-CD1 4.21Å; V553-K567 HydrophobicContact CB-CG 4.41Å; V553-K567 WeakPolarHBondContact O-CE 3.38Å; V553-K567 PolarHBondContact O-NZ 2.93Å; V553-K567 VanDerWaalsContact O-NZ 3.13Å; V553-I570 HydrophobicContact CG1-CB 4.15Å; V553-I570 HydrophobicContact CG1-CD1 3.7Å; V553-I570 HydrophobicContact CG1-CG2 3.78Å; V553-I570 HydrophobicContact CG2-CG2 4.02Å; V553-L571 HydrophobicContact CG2-CD2 3.59Å; V553-L571 HydrophobicContact CG2-CG 3.87Å
554E87Confident84.3Confident95 Ų9575.9 Ų75.944%0.44440%0.403SS..Hα-helixtrans-87.6-15.4173.2-71174.2166.700113.1K550 A551 T552 E556 L571K550-E554 WeakPolarHBondContact CE-OE1 3.44Å; K550-E554 WeakPolarHBondContact O-CB 3.36Å; K550-E554 VanDerWaalsContact O-CG 3.3Å; K550-E554 WeakPolarHBondContact O-CG 3.46Å; K550-E554 PolarHBondContact O-N 2.92Å; K550-E554 VanDerWaalsContact O-N 3.1Å; A551-E554 PolarHBondContact O-N 2.93Å; T552-E554 VanDerWaalsContact C-N 3.25Å; T552-E554 PolarHBondContact O-N 2.99Å; E554-E556 PolarHBondContact O-N 2.75Å; E554-L571 HydrophobicContact CG-CD2 3.98Å; E554-L571 WeakPolarHBondContact OE1-CD2 3.32Å
555D85.7Confident84.4Confident68 Ų6880.6 Ų80.636%0.36442%0.418SS..  trans-59.3130.5179.3-168.1-34000111.6A551 T552 K557 L558 Q559A551-D555 PolarHBondContact O-N 2.85Å; T552-D555 WeakPolarHBondContact O-CB 3.28Å; T552-D555 PolarHBondContact O-N 3.42Å; D555-K557 PolarHBondContact O-N 2.81Å; D555-K557 VanDerWaalsContact OD1-CB 3.31Å; D555-K557 WeakPolarHBondContact OD1-CB 3.45Å; D555-K557 WeakPolarHBondContact OD1-CG 3.44Å; D555-K557 PolarHBondContact OD1-N 2.84Å; D555-L558 PolarHBondContact O-N 2.64Å; D555-Q559 PolarHBondContact O-N 2.96Å
556E80.8Confident84.5Confident152 Ų15280.1 Ų80.171%0.7142%0.419SS*.G310 helixtrans-57.2-29.9176.8-65-175.716800112.7E554 L558 Q559E554-E556 PolarHBondContact O-N 2.75Å; E556-L558 PolarHBondContact O-N 2.76Å; E556-Q559 VanDerWaalsContact O-CB 3.3Å; E556-Q559 WeakPolarHBondContact O-CB 3.46Å; E556-Q559 PolarHBondContact O-N 3.32Å; E556-Q559 VanDerWaalsContact O-N 3.07Å
557K79.1Confident84.5Confident164 Ų16482.3 Ų82.371%0.71343%0.428SS*.G310 helixtrans-66.3-17.4176.9-65.6173.9-177.2169.80113.6D555D555-K557 PolarHBondContact O-N 2.81Å; D555-K557 VanDerWaalsContact OD1-CB 3.31Å; D555-K557 WeakPolarHBondContact OD1-CB 3.45Å; D555-K557 WeakPolarHBondContact OD1-CG 3.44Å; D555-K557 PolarHBondContact OD1-N 2.84Å
558L73.5Confident84.7Confident31 Ų3182.3 Ų82.316%0.16243%0.429CS..G310 helixtrans-102.3-5176.7-76.7162.8000112.5T552 D555 E556 G560 K561 I562 L610T552-L558 HydrophobicContact CG2-CD1 3.59Å; T552-L558 WeakPolarHBondContact O-CD1 3.42Å; D555-L558 PolarHBondContact O-N 2.64Å; E556-L558 PolarHBondContact O-N 2.76Å; L558-G560 PolarHBondContact O-N 2.69Å; L558-K561 HydrophobicContact CD2-CB 4.49Å; L558-K561 PolarHBondContact O-N 2.91Å; L558-K561 VanDerWaalsContact O-N 3.09Å; L558-I562 PolarHBondContact O-N 2.82Å; L558-L610 HydrophobicContact CD2-CD1 4.16Å; L558-L610 HydrophobicContact CD2-CD2 3.41Å; L558-L610 VanDerWaalsContact CD2-CD2 3.41Å; L558-L610 HydrophobicContact CD2-CG 4.34Å
559Q67.5Low84.9Confident128 Ų12883.3 Ų83.360%0.59843%0.429SS*.THydrogen-bonded Turntrans-58.4127171.2-76-179.6-2.600110.5D555 E556 K561D555-Q559 PolarHBondContact O-N 2.96Å; E556-Q559 VanDerWaalsContact O-CB 3.3Å; E556-Q559 WeakPolarHBondContact O-CB 3.46Å; E556-Q559 PolarHBondContact O-N 3.32Å; E556-Q559 VanDerWaalsContact O-N 3.07Å; Q559-K561 VanDerWaalsContact C-N 3.27Å; Q559-K561 PolarHBondContact O-N 3.13Å
560G70.4Confident85.1Confident81 Ų8182.2 Ų82.284%0.83542%0.424SS*.THydrogen-bonded Turntrans80-6.1-178.700000115.7L558L558-G560 PolarHBondContact O-N 2.69Å
561K81Confident85.3Confident136 Ų13680.7 Ų80.759%0.59142%0.418SS*.THydrogen-bonded Turntrans-97.2-27.6174.2-66.7-178.5-178.7169.60113.1L558 Q559 L610L558-K561 HydrophobicContact CD2-CB 4.49Å; L558-K561 PolarHBondContact O-N 2.91Å; L558-K561 VanDerWaalsContact O-N 3.09Å; Q559-K561 VanDerWaalsContact C-N 3.27Å; Q559-K561 PolarHBondContact O-N 3.13Å; K561-L610 HydrophobicContact CB-CD1 4.21Å; K561-L610 VanDerWaalsContact O-CD1 3.31Å; K561-L610 WeakPolarHBondContact O-CD1 3.44Å
562I85.1Confident85.6Confident20 Ų2081.9 Ų81.910%0.10342%0.416CS..SBendtrans-102.3138.9169.1-165.5166.3000108.5V553 L558 D566 K567 I570 I606 L610V553-I562 HydrophobicContact CG1-CD1 4.21Å; L558-I562 PolarHBondContact O-N 2.82Å; I562-D566 HydrophobicContact CD1-CB 4.31Å; I562-D566 HydrophobicContact CG1-CB 4.01Å; I562-K567 HydrophobicContact CD1-CB 4.13Å; I562-K567 HydrophobicContact CG1-CB 4.25Å; I562-K567 HydrophobicContact CG2-CB 4.02Å; I562-K567 HydrophobicContact CG2-CD 4.26Å; I562-I570 HydrophobicContact CD1-CD1 4.26Å; I562-I606 HydrophobicContact CD1-CG2 3.91Å; I562-I606 HydrophobicContact CG1-CG2 4.48Å; I562-L610 HydrophobicContact CB-CD1 3.59Å; I562-L610 HydrophobicContact CG1-CD1 4.15Å
563N87.3Confident86Confident84 Ų8480.5 Ų80.545%0.44941%0.405SS..  trans-75.4154.817266.961000110.1E565 D566 K567N563-E565 PolarHBondContact O-N 2.84Å; N563-E565 PolarHBondContact OD1-N 2.84Å; N563-D566 PolarHBondContact ND2-OD2 3.34Å; N563-D566 PolarHBondContact O-N 3.39Å; N563-D566 VanDerWaalsContact OD1-CB 3.28Å; N563-D566 WeakPolarHBondContact OD1-CB 3.19Å; N563-D566 PolarHBondContact OD1-N 3.46Å; N563-K567 WeakPolarHBondContact O-CB 3.4Å; N563-K567 PolarHBondContact O-N 3.28Å
564D86.9Confident86.4Confident135 Ų13580.2 Ų80.272%0.72240%0.404SS*.Hα-helixtrans-62.8-31-174.1-67.2-29.4000112.8Q568D564-Q568 VanDerWaalsContact O-CB 3.29Å; D564-Q568 WeakPolarHBondContact O-CB 3.38Å; D564-Q568 PolarHBondContact O-N 3.18Å
565E89.8Confident86.7Confident163 Ų16378.3 Ų78.376%0.76240%0.397SS*.Hα-helixtrans-67.9-49.8179.4-171.5-179.7175.400111.7N563 K567 Q568 K569N563-E565 PolarHBondContact O-N 2.84Å; N563-E565 PolarHBondContact OD1-N 2.84Å; E565-K567 VanDerWaalsContact C-N 3.34Å; E565-Q568 PolarHBondContact O-N 3.01Å; E565-K569 WeakPolarHBondContact O-CB 3.32Å; E565-K569 PolarHBondContact O-N 3Å
566D89.9Confident87.2Confident36 Ų3679.9 Ų79.919%0.19340%0.402CS..Hα-helixtrans-65-38.8176.8-81.1-30.5000111.2I562 N563 K569 I570 I606I562-D566 HydrophobicContact CD1-CB 4.31Å; I562-D566 HydrophobicContact CG1-CB 4.01Å; N563-D566 PolarHBondContact ND2-OD2 3.34Å; N563-D566 PolarHBondContact O-N 3.39Å; N563-D566 VanDerWaalsContact OD1-CB 3.28Å; N563-D566 WeakPolarHBondContact OD1-CB 3.19Å; N563-D566 PolarHBondContact OD1-N 3.46Å; D566-K569 PolarHBondContact O-N 3.25Å; D566-I570 PolarHBondContact O-N 2.69Å; D566-I570 VanDerWaalsContact O-N 3.13Å; D566-I606 HydrophobicContact CB-CD1 4.17Å; D566-I606 HydrophobicContact CB-CG1 4.37Å; D566-I606 HydrophobicContact CB-CG2 3.71Å
567K90.1Very high87.9Confident46 Ų4672.6 Ų72.620%0.237%0.368CS..Hα-helixtrans-60.9-51.1173.8176.9170.8176.3162.80111.2V553 I562 N563 E565 K569 I570 L571V553-K567 HydrophobicContact CB-CG 4.41Å; V553-K567 WeakPolarHBondContact O-CE 3.38Å; V553-K567 PolarHBondContact O-NZ 2.93Å; V553-K567 VanDerWaalsContact O-NZ 3.13Å; I562-K567 HydrophobicContact CD1-CB 4.13Å; I562-K567 HydrophobicContact CG1-CB 4.25Å; I562-K567 HydrophobicContact CG2-CB 4.02Å; I562-K567 HydrophobicContact CG2-CD 4.26Å; N563-K567 WeakPolarHBondContact O-CB 3.4Å; N563-K567 PolarHBondContact O-N 3.28Å; E565-K567 VanDerWaalsContact C-N 3.34Å; K567-K569 VanDerWaalsContact C-N 3.27Å; K567-K569 PolarHBondContact O-N 3.05Å; K567-I570 PolarHBondContact O-N 3.21Å; K567-L571 HydrophobicContact CG-CD1 4.13Å; K567-L571 WeakPolarHBondContact O-CG 3.29Å; K567-L571 PolarHBondContact O-N 2.81Å
568Q92.9Very high88.5Confident98 Ų9866 Ų6646%0.45834%0.34SS..Hα-helixtrans-61.5-39.5-180-169.66146.800111D564 E565 I570 L571 D572D564-Q568 VanDerWaalsContact O-CB 3.29Å; D564-Q568 WeakPolarHBondContact O-CB 3.38Å; D564-Q568 PolarHBondContact O-N 3.18Å; E565-Q568 PolarHBondContact O-N 3.01Å; Q568-I570 PolarHBondContact O-N 3.37Å; Q568-L571 PolarHBondContact O-N 3.08Å; Q568-D572 PolarHBondContact NE2-OD1 3.25Å; Q568-D572 WeakPolarHBondContact O-CB 3.5Å; Q568-D572 PolarHBondContact O-N 3.41Å
569K93.8Very high89.5Confident120 Ų12068.7 Ų68.752%0.52236%0.355SS..Hα-helixtrans-61.6-40.7178.2-167.1174.3-176.2176.30113.4E565 D566 K567 K573 V602 I606E565-K569 WeakPolarHBondContact O-CB 3.32Å; E565-K569 PolarHBondContact O-N 3Å; D566-K569 PolarHBondContact O-N 3.25Å; K567-K569 VanDerWaalsContact C-N 3.27Å; K567-K569 PolarHBondContact O-N 3.05Å; K569-K573 PolarHBondContact O-N 3.2Å; K569-V602 HydrophobicContact CG-CG1 4.03Å; K569-I606 HydrophobicContact CD-CD1 4.31Å
570I93Very high90.8Very high0 Ų065 Ų650%034%0.335CS..Hα-helixtrans-66.6-46.3174.1-69.3173.4000110.4M549 V553 I562 D566 K567 Q568 D572 K573 C574 I606M549-I570 HydrophobicContact CB-CG2 4.47Å; V553-I570 HydrophobicContact CG1-CB 4.15Å; V553-I570 HydrophobicContact CG1-CD1 3.7Å; V553-I570 HydrophobicContact CG1-CG2 3.78Å; V553-I570 HydrophobicContact CG2-CG2 4.02Å; I562-I570 HydrophobicContact CD1-CD1 4.26Å; D566-I570 PolarHBondContact O-N 2.69Å; D566-I570 VanDerWaalsContact O-N 3.13Å; K567-I570 PolarHBondContact O-N 3.21Å; Q568-I570 PolarHBondContact O-N 3.37Å; I570-D572 PolarHBondContact O-N 3.33Å; I570-K573 PolarHBondContact O-N 3.34Å; I570-C574 WeakPolarHBondContact O-CB 3.31Å; I570-C574 PolarHBondContact O-N 3.24Å; I570-C574 PolarHBondContact O-SG 2.94Å; I570-I606 HydrophobicContact CD1-CB 3.99Å; I570-I606 HydrophobicContact CD1-CD1 4.1Å; I570-I606 HydrophobicContact CD1-CG2 3.62Å; I570-I606 HydrophobicContact CG1-CD1 3.82Å; I570-I606 HydrophobicContact CG1-CG2 4.49Å
571L93.7Very high91.8Very high18 Ų1861.4 Ų61.49%0.09430%0.297CS..Hα-helixtrans-60.5-45.9-179.7-72176.2000112.2K550 V553 E554 K567 Q568 K573 C574 N575K550-L571 HydrophobicContact CG-CD2 3.77Å; V553-L571 HydrophobicContact CG2-CD2 3.59Å; V553-L571 HydrophobicContact CG2-CG 3.87Å; E554-L571 HydrophobicContact CG-CD2 3.98Å; E554-L571 WeakPolarHBondContact OE1-CD2 3.32Å; K567-L571 HydrophobicContact CG-CD1 4.13Å; K567-L571 WeakPolarHBondContact O-CG 3.29Å; K567-L571 PolarHBondContact O-N 2.81Å; Q568-L571 PolarHBondContact O-N 3.08Å; L571-K573 VanDerWaalsContact C-N 3.34Å; L571-K573 PolarHBondContact O-N 3.32Å; L571-C574 PolarHBondContact O-N 2.99Å; L571-N575 WeakPolarHBondContact O-CB 3.32Å; L571-N575 PolarHBondContact O-N 3.17Å; L571-N575 PolarHBondContact O-ND2 3.36Å; L571-N575 VanDerWaalsContact O-ND2 3.1Å
572D95.4Very high92.1Very high84 Ų8459.8 Ų59.845%0.44929%0.294SS..Hα-helixtrans-60.5-45.3178-70.6-16.1000110.7Q568 I570 N575 E576Q568-D572 PolarHBondContact NE2-OD1 3.25Å; Q568-D572 WeakPolarHBondContact O-CB 3.5Å; Q568-D572 PolarHBondContact O-N 3.41Å; I570-D572 PolarHBondContact O-N 3.33Å; D572-N575 PolarHBondContact O-N 2.63Å; D572-E576 WeakPolarHBondContact O-CB 3.42Å; D572-E576 PolarHBondContact O-N 3.41Å
573K96.4Very high92.4Very high26 Ų2667 Ų6711%0.11333%0.325CS..Hα-helixtrans-67.5-40.9178.4-166.761.5179.6174.80112.1K569 I570 L571 N575 E576 I577 L599 V602K569-K573 PolarHBondContact O-N 3.2Å; I570-K573 PolarHBondContact O-N 3.34Å; L571-K573 VanDerWaalsContact C-N 3.34Å; L571-K573 PolarHBondContact O-N 3.32Å; K573-N575 VanDerWaalsContact C-N 3.35Å; K573-N575 PolarHBondContact O-N 2.96Å; K573-E576 VanDerWaalsContact CD-OE2 3.29Å; K573-E576 WeakPolarHBondContact CD-OE2 3.46Å; K573-E576 VanDerWaalsContact NZ-CD 3.25Å; K573-E576 IonicContact NZ-OE1 2.93Å; K573-E576 PolarHBondContact NZ-OE1 3.3Å; K573-E576 IonicContact NZ-OE2 3.59Å; K573-E576 PolarHBondContact NZ-OE2 3.42Å; K573-E576 VanDerWaalsContact NZ-OE2 3.09Å; K573-E576 WeakPolarHBondContact O-CB 3.37Å; K573-E576 PolarHBondContact O-N 3.09Å; K573-I577 VanDerWaalsContact O-CG1 3.28Å; K573-I577 WeakPolarHBondContact O-CG1 3.27Å; K573-I577 PolarHBondContact O-N 3.14Å; K573-L599 HydrophobicContact CB-CD1 4.1Å; K573-L599 HydrophobicContact CG-CD1 3.67Å; K573-V602 HydrophobicContact CB-CG1 4.27Å; K573-V602 HydrophobicContact CD-CG2 4.41Å; K573-V602 HydrophobicContact CG-CB 4.24Å; K573-V602 HydrophobicContact CG-CG2 4.07Å
574C94.3Very high92.6Very high0 Ų065.5 Ų65.50%032%0.317CS..Hα-helixtrans-60.7-45174.9-67.10000111.1K550 I570 L571 I577 I578K550-C574 HydrophobicContact CB-CB 4.32Å; I570-C574 WeakPolarHBondContact O-CB 3.31Å; I570-C574 PolarHBondContact O-N 3.24Å; I570-C574 PolarHBondContact O-SG 2.94Å; L571-C574 PolarHBondContact O-N 2.99Å; C574-I577 PolarHBondContact O-N 3.03Å; C574-I578 WeakPolarHBondContact O-CD1 3.14Å; C574-I578 VanDerWaalsContact O-CG1 3.23Å; C574-I578 WeakPolarHBondContact O-CG1 3.23Å; C574-I578 PolarHBondContact O-N 3.48Å
575N94.5Very high92.3Very high55 Ų5563.6 Ų63.629%0.29430%0.304SS..Hα-helixtrans-66.4-37177.9-69-34.4000112.1K550 L571 D572 K573 N579K550-N575 PolarHBondContact NZ-OD1 2.82Å; L571-N575 WeakPolarHBondContact O-CB 3.32Å; L571-N575 PolarHBondContact O-N 3.17Å; L571-N575 PolarHBondContact O-ND2 3.36Å; L571-N575 VanDerWaalsContact O-ND2 3.1Å; D572-N575 PolarHBondContact O-N 2.63Å; K573-N575 VanDerWaalsContact C-N 3.35Å; K573-N575 PolarHBondContact O-N 2.96Å; N575-N579 VanDerWaalsContact O-CB 3.31Å; N575-N579 WeakPolarHBondContact O-CB 3.47Å; N575-N579 PolarHBondContact O-N 2.64Å; N575-N579 PolarHBondContact O-ND2 3.05Å
576E95.9Very high92Very high100 Ų10061.5 Ų61.547%0.46730%0.302SS..Hα-helixtrans-59-48.3172.5-173.6-163.3139.900111D572 K573 N579 W580D572-E576 WeakPolarHBondContact O-CB 3.42Å; D572-E576 PolarHBondContact O-N 3.41Å; K573-E576 VanDerWaalsContact CD-OE2 3.29Å; K573-E576 WeakPolarHBondContact CD-OE2 3.46Å; K573-E576 VanDerWaalsContact NZ-CD 3.25Å; K573-E576 IonicContact NZ-OE1 2.93Å; K573-E576 PolarHBondContact NZ-OE1 3.3Å; K573-E576 IonicContact NZ-OE2 3.59Å; K573-E576 PolarHBondContact NZ-OE2 3.42Å; K573-E576 VanDerWaalsContact NZ-OE2 3.09Å; K573-E576 WeakPolarHBondContact O-CB 3.37Å; K573-E576 PolarHBondContact O-N 3.09Å; E576-N579 PolarHBondContact O-N 3.26Å; E576-W580 WeakPolarHBondContact O-CB 3.19Å; E576-W580 PolarHBondContact O-N 3.02Å
577I94.8Very high91.9Very high0 Ų060.1 Ų60.10%030%0.296CS..Hα-helixtrans-65.4-42.9179.2-66.3-61.4000111.8L542 A546 K573 C574 W580 L581 Q595 L599L542-I577 HydrophobicContact CD1-CG2 3.59Å; L542-I577 HydrophobicContact CD2-CG2 4.14Å; L542-I577 HydrophobicContact CG-CG2 3.86Å; A546-I577 HydrophobicContact CB-CG2 4.22Å; K573-I577 VanDerWaalsContact O-CG1 3.28Å; K573-I577 WeakPolarHBondContact O-CG1 3.27Å; K573-I577 PolarHBondContact O-N 3.14Å; C574-I577 PolarHBondContact O-N 3.03Å; I577-W580 CarbonylContact O-C 3.56Å; I577-W580 WeakPolarHBondContact O-CB 3.19Å; I577-W580 PolarHBondContact O-N 3.09Å; I577-W580 VanDerWaalsContact O-N 3.17Å; I577-L581 HydrophobicContact CG2-CD1 4.3Å; I577-L581 WeakPolarHBondContact O-CG 3.45Å; I577-L581 PolarHBondContact O-N 2.74Å; I577-Q595 HydrophobicContact CD1-CB 4.06Å; I577-L599 HydrophobicContact CG1-CB 4.18Å; I577-L599 HydrophobicContact CG1-CD1 4.32Å; I577-L599 HydrophobicContact CG1-CD2 4.3Å; I577-L599 HydrophobicContact CG1-CG 4.5Å; I577-L599 HydrophobicContact CG2-CD2 4.36Å
578I91.8Very high91.9Very high25 Ų2561.1 Ų61.113%0.12830%0.302CS..Hα-helixtrans-61.7-46.8176.6-68.7163.5000110.2A546 F547 C574 W580 L581 D582A546-I578 HydrophobicContact CB-CD1 4.5Å; A546-I578 HydrophobicContact CB-CG1 4.13Å; F547-I578 HydrophobicContact CD1-CD1 4.28Å; F547-I578 HydrophobicContact CE1-CD1 3.98Å; F547-I578 HydrophobicContact CZ-CD1 4.18Å; F547-I578 HydrophobicContact CZ-CG1 4.46Å; C574-I578 WeakPolarHBondContact O-CD1 3.14Å; C574-I578 VanDerWaalsContact O-CG1 3.23Å; C574-I578 WeakPolarHBondContact O-CG1 3.23Å; C574-I578 PolarHBondContact O-N 3.48Å; I578-W580 VanDerWaalsContact C-N 3.25Å; I578-W580 PolarHBondContact O-N 3.04Å; I578-L581 WeakPolarHBondContact O-CB 3.25Å; I578-L581 PolarHBondContact O-N 3.3Å; I578-D582 PolarHBondContact O-N 2.82Å
579N94.3Very high91.8Very high88 Ų8858.9 Ų58.947%0.47129%0.29SS..Hα-helixtrans-62.8-33.3175.2-75.5-43.2000112.6N575 E576 K583N575-N579 VanDerWaalsContact O-CB 3.31Å; N575-N579 WeakPolarHBondContact O-CB 3.47Å; N575-N579 PolarHBondContact O-N 2.64Å; N575-N579 PolarHBondContact O-ND2 3.05Å; E576-N579 PolarHBondContact O-N 3.26Å; N579-K583 WeakPolarHBondContact O-CG 3.16Å; N579-K583 PolarHBondContact O-N 3.11Å
580W95.6Very high91.8Very high51 Ų5158.8 Ų58.819%0.19329%0.291CS..Hα-helixtrans-68.9-44.7174.8-177.594.5000110.7L542 E576 I577 I578 D582 K583 N584 A587 E591 F592 Q595L542-W580 HydrophobicContact CD2-CZ3 4.38Å; E576-W580 WeakPolarHBondContact O-CB 3.19Å; E576-W580 PolarHBondContact O-N 3.02Å; I577-W580 CarbonylContact O-C 3.56Å; I577-W580 WeakPolarHBondContact O-CB 3.19Å; I577-W580 PolarHBondContact O-N 3.09Å; I577-W580 VanDerWaalsContact O-N 3.17Å; I578-W580 VanDerWaalsContact C-N 3.25Å; I578-W580 PolarHBondContact O-N 3.04Å; W580-D582 VanDerWaalsContact C-N 3.33Å; W580-D582 PolarHBondContact O-N 3.2Å; W580-K583 PolarHBondContact O-N 3.04Å; W580-K583 VanDerWaalsContact O-N 3.16Å; W580-N584 VanDerWaalsContact CD1-ND2 3.35Å; W580-N584 HydrophobicContact CD2-CB 4.08Å; W580-N584 HydrophobicContact CE3-CB 4.24Å; W580-N584 HydrophobicContact CH2-CB 3.98Å; W580-N584 HydrophobicContact CZ2-CB 3.8Å; W580-N584 HydrophobicContact CZ3-CB 4.18Å; W580-N584 PolarHBondContact NE1-ND2 3.07Å; W580-N584 VanDerWaalsContact O-CB 3.3Å; W580-N584 WeakPolarHBondContact O-CB 3.36Å; W580-N584 PolarHBondContact O-N 2.92Å; W580-N584 PolarHBondContact O-ND2 2.91Å; W580-A587 HydrophobicContact CH2-CB 3.64Å; W580-A587 HydrophobicContact CZ2-CB 4.13Å; W580-E591 HydrophobicContact CH2-CB 4.21Å; W580-E591 HydrophobicContact CZ2-CB 4.43Å; W580-F592 HydrophobicContact CH2-CD1 4.01Å; W580-F592 HydrophobicContact CH2-CE1 4.08Å; W580-F592 AromaticContact CZ3-CD1 3.64Å; W580-F592 HydrophobicContact CZ3-CD1 3.64Å; W580-F592 AromaticContact CZ3-CE1 3.71Å; W580-F592 HydrophobicContact CZ3-CE1 3.71Å; W580-Q595 HydrophobicContact CD2-CG 3.89Å; W580-Q595 HydrophobicContact CE3-CB 4.5Å; W580-Q595 HydrophobicContact CE3-CG 3.83Å; W580-Q595 HydrophobicContact CH2-CG 3.79Å; W580-Q595 HydrophobicContact CZ2-CG 3.84Å; W580-Q595 HydrophobicContact CZ3-CB 4.4Å; W580-Q595 HydrophobicContact CZ3-CG 3.78Å
581L90.8Very high91.8Very high5 Ų563.2 Ų63.23%0.02631%0.312CS..Hα-helixtrans-56.4-46.4175.2-80.8169.1000111.2K539 L542 E543 I577 I578 K583 N584 Q585 F592K539-L581 HydrophobicContact CG-CD2 3.94Å; L542-L581 HydrophobicContact CD2-CD1 4.46Å; L542-L581 HydrophobicContact CD2-CD2 3.9Å; L542-L581 HydrophobicContact CD2-CG 4.21Å; L542-L581 HydrophobicContact CG-CD1 4.19Å; L542-L581 HydrophobicContact CG-CD2 4.36Å; L542-L581 HydrophobicContact CG-CG 4.47Å; E543-L581 HydrophobicContact CB-CD1 3.81Å; E543-L581 HydrophobicContact CG-CD1 4.25Å; I577-L581 HydrophobicContact CG2-CD1 4.3Å; I577-L581 WeakPolarHBondContact O-CG 3.45Å; I577-L581 PolarHBondContact O-N 2.74Å; I578-L581 WeakPolarHBondContact O-CB 3.25Å; I578-L581 PolarHBondContact O-N 3.3Å; L581-K583 PolarHBondContact O-N 3.14Å; L581-N584 CarbonylContact O-C 3.55Å; L581-N584 PolarHBondContact O-N 2.85Å; L581-Q585 PolarHBondContact O-N 2.91Å; L581-Q585 PolarHBondContact O-NE2 2.91Å; L581-F592 HydrophobicContact CD2-CD1 3.98Å; L581-F592 HydrophobicContact CD2-CE1 3.8Å
582D88.4Confident91.7Very high101 Ų10162.4 Ų62.454%0.5431%0.308SS..Hα-helixtrans-58-36.6178.4-71.9-19.4000112.9I578 W580I578-D582 PolarHBondContact O-N 2.82Å; W580-D582 VanDerWaalsContact C-N 3.33Å; W580-D582 PolarHBondContact O-N 3.2Å
583K91.8Very high91.6Very high171 Ų17161.4 Ų61.474%0.74330%0.301SS*.Hα-helixtrans-87.1-19.4-179.1-68173.8-175.4173.70113.8N579 W580 L581N579-K583 WeakPolarHBondContact O-CG 3.16Å; N579-K583 PolarHBondContact O-N 3.11Å; W580-K583 PolarHBondContact O-N 3.04Å; W580-K583 VanDerWaalsContact O-N 3.16Å; L581-K583 PolarHBondContact O-N 3.14Å
584N89.6Confident91.6Very high54 Ų5465 Ų6529%0.28932%0.317SS..  trans-125.944.7-169.6-60.9-82.2000111.9W580 L581 T586 A587W580-N584 VanDerWaalsContact CD1-ND2 3.35Å; W580-N584 HydrophobicContact CD2-CB 4.08Å; W580-N584 HydrophobicContact CE3-CB 4.24Å; W580-N584 HydrophobicContact CH2-CB 3.98Å; W580-N584 HydrophobicContact CZ2-CB 3.8Å; W580-N584 HydrophobicContact CZ3-CB 4.18Å; W580-N584 PolarHBondContact NE1-ND2 3.07Å; W580-N584 VanDerWaalsContact O-CB 3.3Å; W580-N584 WeakPolarHBondContact O-CB 3.36Å; W580-N584 PolarHBondContact O-N 2.92Å; W580-N584 PolarHBondContact O-ND2 2.91Å; L581-N584 CarbonylContact O-C 3.55Å; L581-N584 PolarHBondContact O-N 2.85Å; N584-T586 PolarHBondContact O-N 2.96Å; N584-A587 HydrophobicContact CB-CB 4.12Å; N584-A587 WeakPolarHBondContact O-CB 3.35Å; N584-A587 PolarHBondContact O-N 2.78Å; N584-A587 VanDerWaalsContact O-N 3.15Å
585Q81.9Confident91.7Very high95 Ų9566.4 Ų66.444%0.44432%0.324SS..THydrogen-bonded Turntrans-59.5-20.6-179.2-64.7-75.6-47.900113.6L581L581-Q585 PolarHBondContact O-N 2.91Å; L581-Q585 PolarHBondContact O-NE2 2.91Å
586T82.6Confident91.7Very high118 Ų11865.4 Ų65.472%0.72432%0.318SS*.THydrogen-bonded Turntrans-105.72.8-178.158.30000114.4K535 N584K535-T586 PolarHBondContact NZ-O 3.33Å; N584-T586 PolarHBondContact O-N 2.96Å
587A88.1Confident91.6Very high7 Ų766.1 Ų66.16%0.05832%0.319CS..  trans-57.4148.9179.600000112.3K535 W580 N584 E591 F592K535-A587 WeakPolarHBondContact CE-O 3.26Å; K535-A587 PolarHBondContact NZ-O 2.91Å; W580-A587 HydrophobicContact CH2-CB 3.64Å; W580-A587 HydrophobicContact CZ2-CB 4.13Å; N584-A587 HydrophobicContact CB-CB 4.12Å; N584-A587 WeakPolarHBondContact O-CB 3.35Å; N584-A587 PolarHBondContact O-N 2.78Å; N584-A587 VanDerWaalsContact O-N 3.15Å; A587-E591 WeakPolarHBondContact CA-OE2 3.27Å; A587-E591 HydrophobicContact CB-CB 4.02Å; A587-F592 HydrophobicContact CB-CE1 4.08Å; A587-F592 HydrophobicContact CB-CE2 4.39Å; A587-F592 HydrophobicContact CB-CZ 3.92Å; A587-F592 WeakPolarHBondContact O-CE2 3.3Å; A587-F592 WeakPolarHBondContact O-CZ 3.46Å
588E90.2Very high91.7Very high68 Ų6868.7 Ų68.732%0.31833%0.331SS..  trans-72164.7-178.5-68.2-63104.700112.8K531 K535 E590 E591 F592K531-E588 IonicContact NZ-OE2 3.73Å; K531-E588 PolarHBondContact NZ-OE2 2.84Å; K535-E588 IonicContact NZ-OE1 3.09Å; K535-E588 PolarHBondContact NZ-OE1 2.85Å; E588-E590 VanDerWaalsContact C-N 3.27Å; E588-E590 PolarHBondContact O-N 3.2Å; E588-E591 PolarHBondContact N-OE2 3.08Å; E588-E591 WeakPolarHBondContact O-CB 3.39Å; E588-E591 PolarHBondContact O-N 3.26Å; E588-F592 WeakPolarHBondContact O-CD2 3.34Å; E588-F592 PolarHBondContact O-N 2.95Å
589K90.1Very high91.9Very high51 Ų5167.5 Ų67.522%0.22233%0.325CS..Hα-helixtrans-51.7-46.8-177.9178.3-176179.9172.40111.9D534 E591 F592 E593D534-K589 HydrophobicContact CB-CD 4.12Å; D534-K589 IonicContact OD2-NZ 3.63Å; D534-K589 PolarHBondContact OD2-NZ 3.01Å; K589-E591 PolarHBondContact O-N 2.57Å; K589-F592 PolarHBondContact O-N 2.84Å; K589-E593 WeakPolarHBondContact CE-OE1 3.44Å; K589-E593 WeakPolarHBondContact O-CG 3.48Å; K589-E593 PolarHBondContact O-N 2.8Å
590E94.5Very high91.8Very high117 Ų11765.9 Ų65.955%0.54732%0.315SS..Hα-helixtrans-64.5-30.2-177.5-63.174.1-163.400111.9E588 H594E588-E590 VanDerWaalsContact C-N 3.27Å; E588-E590 PolarHBondContact O-N 3.2Å; E590-H594 WeakPolarHBondContact O-CB 3.16Å; E590-H594 PolarHBondContact O-N 2.89Å
591E93.8Very high91.8Very high93 Ų9369.8 Ų69.844%0.43533%0.333SS..Hα-helixtrans-71.9-43.6176.3-61.2-177.890.300110.9W580 A587 E588 K589 H594 Q595W580-E591 HydrophobicContact CH2-CB 4.21Å; W580-E591 HydrophobicContact CZ2-CB 4.43Å; A587-E591 WeakPolarHBondContact CA-OE2 3.27Å; A587-E591 HydrophobicContact CB-CB 4.02Å; E588-E591 PolarHBondContact N-OE2 3.08Å; E588-E591 WeakPolarHBondContact O-CB 3.39Å; E588-E591 PolarHBondContact O-N 3.26Å; K589-E591 PolarHBondContact O-N 2.57Å; E591-H594 PolarHBondContact O-N 2.82Å; E591-Q595 WeakPolarHBondContact O-CG 3.48Å; E591-Q595 PolarHBondContact O-N 3.2Å
592F92Very high92Very high1 Ų171.1 Ų71.10%0.00434%0.342CS..Hα-helixtrans-60.9-45.9173.2-66.2-54.3000111.6K535 K539 L542 W580 L581 A587 E588 K589 H594 Q595 Q596K535-F592 HydrophobicContact CG-CD2 4.38Å; K535-F592 HydrophobicContact CG-CE2 4.02Å; K539-F592 HydrophobicContact CB-CD1 4.08Å; K539-F592 HydrophobicContact CB-CD2 3.88Å; K539-F592 HydrophobicContact CB-CE1 4.01Å; K539-F592 HydrophobicContact CB-CE2 3.75Å; K539-F592 HydrophobicContact CB-CG 4.06Å; K539-F592 HydrophobicContact CB-CZ 3.84Å; K539-F592 HydrophobicContact CD-CE1 4.3Å; K539-F592 HydrophobicContact CD-CE2 4.44Å; K539-F592 HydrophobicContact CD-CZ 3.93Å; K539-F592 HydrophobicContact CG-CD1 4.2Å; K539-F592 HydrophobicContact CG-CE1 3.78Å; K539-F592 HydrophobicContact CG-CE2 4.24Å; K539-F592 HydrophobicContact CG-CZ 3.8Å; L542-F592 HydrophobicContact CD2-CD1 4.19Å; W580-F592 HydrophobicContact CH2-CD1 4.01Å; W580-F592 HydrophobicContact CH2-CE1 4.08Å; W580-F592 AromaticContact CZ3-CD1 3.64Å; W580-F592 HydrophobicContact CZ3-CD1 3.64Å; W580-F592 AromaticContact CZ3-CE1 3.71Å; W580-F592 HydrophobicContact CZ3-CE1 3.71Å; L581-F592 HydrophobicContact CD2-CD1 3.98Å; L581-F592 HydrophobicContact CD2-CE1 3.8Å; A587-F592 HydrophobicContact CB-CE1 4.08Å; A587-F592 HydrophobicContact CB-CE2 4.39Å; A587-F592 HydrophobicContact CB-CZ 3.92Å; A587-F592 WeakPolarHBondContact O-CE2 3.3Å; A587-F592 WeakPolarHBondContact O-CZ 3.46Å; E588-F592 WeakPolarHBondContact O-CD2 3.34Å; E588-F592 PolarHBondContact O-N 2.95Å; K589-F592 PolarHBondContact O-N 2.84Å; F592-H594 VanDerWaalsContact C-N 3.32Å; F592-H594 PolarHBondContact O-N 2.82Å; F592-Q595 PolarHBondContact O-N 2.88Å; F592-Q596 PolarHBondContact O-N 2.84Å
593E92.9Very high92.1Very high64 Ų6466.3 Ų66.330%0.29932%0.316SS..Hα-helixtrans-63.9-37177-71.7-179.4-175.500112.5K589 Q596 K597K589-E593 WeakPolarHBondContact CE-OE1 3.44Å; K589-E593 WeakPolarHBondContact O-CG 3.48Å; K589-E593 PolarHBondContact O-N 2.8Å; E593-Q596 PolarHBondContact O-N 2.77Å; E593-K597 WeakPolarHBondContact O-CG 3.5Å; E593-K597 PolarHBondContact O-N 3.29Å
594H96Very high92.1Very high100 Ų10061.8 Ų61.846%0.46330%0.299SS..Hα-helixtrans-63.1-48.4174.2177.7-84.6000111E590 E591 F592 Q596 K597 E598E590-H594 WeakPolarHBondContact O-CB 3.16Å; E590-H594 PolarHBondContact O-N 2.89Å; E591-H594 PolarHBondContact O-N 2.82Å; F592-H594 VanDerWaalsContact C-N 3.32Å; F592-H594 PolarHBondContact O-N 2.82Å; H594-Q596 VanDerWaalsContact C-N 3.29Å; H594-Q596 PolarHBondContact O-N 3.07Å; H594-K597 PolarHBondContact O-N 2.79Å; H594-E598 WeakPolarHBondContact O-CG 3.45Å; H594-E598 PolarHBondContact O-N 2.88Å
595Q96.3Very high92.2Very high31 Ų3162.5 Ų62.515%0.14531%0.307CS..Hα-helixtrans-62.2-36.7177.4-70.9-57.3-23.400112.4L542 I577 W580 E591 F592 E598 L599L542-Q595 HydrophobicContact CD1-CB 4.45Å; L542-Q595 HydrophobicContact CD2-CB 3.6Å; I577-Q595 HydrophobicContact CD1-CB 4.06Å; W580-Q595 HydrophobicContact CD2-CG 3.89Å; W580-Q595 HydrophobicContact CE3-CB 4.5Å; W580-Q595 HydrophobicContact CE3-CG 3.83Å; W580-Q595 HydrophobicContact CH2-CG 3.79Å; W580-Q595 HydrophobicContact CZ2-CG 3.84Å; W580-Q595 HydrophobicContact CZ3-CB 4.4Å; W580-Q595 HydrophobicContact CZ3-CG 3.78Å; E591-Q595 WeakPolarHBondContact O-CG 3.48Å; E591-Q595 PolarHBondContact O-N 3.2Å; F592-Q595 PolarHBondContact O-N 2.88Å; Q595-E598 PolarHBondContact O-N 2.93Å; Q595-L599 PolarHBondContact O-N 2.8Å
596Q93.8Very high92.5Very high33 Ų3358.5 Ų58.515%0.15429%0.289CS..Hα-helixtrans-61.2-47.3172.5-168.5179-28.200111.7L542 F592 E593 H594 E598 L599 E600L542-Q596 HydrophobicContact CD1-CB 3.85Å; L542-Q596 HydrophobicContact CD1-CG 4.31Å; F592-Q596 PolarHBondContact O-N 2.84Å; E593-Q596 PolarHBondContact O-N 2.77Å; H594-Q596 VanDerWaalsContact C-N 3.29Å; H594-Q596 PolarHBondContact O-N 3.07Å; Q596-E598 VanDerWaalsContact C-N 3.29Å; Q596-E598 PolarHBondContact O-N 2.78Å; Q596-L599 PolarHBondContact O-N 2.83Å; Q596-L599 VanDerWaalsContact O-N 3.16Å; Q596-E600 HydrophobicContact CG-CG 4.46Å; Q596-E600 PolarHBondContact NE2-OE1 2.65Å; Q596-E600 WeakPolarHBondContact O-CB 3.33Å; Q596-E600 WeakPolarHBondContact O-CG 3.41Å; Q596-E600 PolarHBondContact O-N 2.79Å
597K95.3Very high92.6Very high116 Ų11654.5 Ų54.550%0.50426%0.262SS..Hα-helixtrans-61-37.3175.8-72.6170.3-175.4166.80112.2E593 H594 E600 K601E593-K597 WeakPolarHBondContact O-CG 3.5Å; E593-K597 PolarHBondContact O-N 3.29Å; H594-K597 PolarHBondContact O-N 2.79Å; K597-E600 PolarHBondContact O-N 2.85Å; K597-K601 WeakPolarHBondContact O-CB 3.23Å; K597-K601 WeakPolarHBondContact O-CG 3.09Å; K597-K601 PolarHBondContact O-N 2.88Å
598E96.2Very high92.5Very high53 Ų5357.5 Ų57.525%0.24828%0.28CS..Hα-helixtrans-65.4-39.4175.6-72.2-59.5111.700112.2H594 Q595 Q596 K601H594-E598 WeakPolarHBondContact O-CG 3.45Å; H594-E598 PolarHBondContact O-N 2.88Å; Q595-E598 PolarHBondContact O-N 2.93Å; Q596-E598 VanDerWaalsContact C-N 3.29Å; Q596-E598 PolarHBondContact O-N 2.78Å; E598-K601 WeakPolarHBondContact OE1-CD 3.19Å; E598-K601 IonicContact OE1-NZ 2.95Å; E598-K601 PolarHBondContact OE1-NZ 2.88Å
599L94.7Very high92.2Very high0 Ų060.5 Ų60.50%029%0.292CS..Hα-helixtrans-67.5-45.3174.4-175.955.2000111.7L542 Y545 A546 K573 I577 Q595 Q596 K601 V602 C603L542-L599 HydrophobicContact CD1-CD2 4.4Å; Y545-L599 HydrophobicContact CD1-CB 4.48Å; Y545-L599 HydrophobicContact CD1-CD2 3.54Å; Y545-L599 HydrophobicContact CD1-CG 3.9Å; Y545-L599 HydrophobicContact CE1-CB 4.33Å; Y545-L599 HydrophobicContact CE1-CD2 3.95Å; Y545-L599 HydrophobicContact CE1-CG 3.77Å; A546-L599 HydrophobicContact CB-CD2 3.77Å; K573-L599 HydrophobicContact CB-CD1 4.1Å; K573-L599 HydrophobicContact CG-CD1 3.67Å; I577-L599 HydrophobicContact CG1-CB 4.18Å; I577-L599 HydrophobicContact CG1-CD1 4.32Å; I577-L599 HydrophobicContact CG1-CD2 4.3Å; I577-L599 HydrophobicContact CG1-CG 4.5Å; I577-L599 HydrophobicContact CG2-CD2 4.36Å; Q595-L599 PolarHBondContact O-N 2.8Å; Q596-L599 PolarHBondContact O-N 2.83Å; Q596-L599 VanDerWaalsContact O-N 3.16Å; L599-K601 VanDerWaalsContact C-N 3.34Å; L599-K601 PolarHBondContact O-N 2.76Å; L599-V602 PolarHBondContact O-N 3.46Å; L599-V602 VanDerWaalsContact O-N 3.14Å; L599-C603 PolarHBondContact O-N 2.85Å; L599-C603 PolarHBondContact O-SG 2.8Å
600E94.1Very high91.6Very high55 Ų5559.3 Ų59.326%0.25729%0.288SS..Hα-helixtrans-60.2-40176.6-76.4173.4-175.400112.2Y545 Q596 K597 V602 C603 N604Y545-E600 HydrophobicContact CD1-CG 4.43Å; Y545-E600 HydrophobicContact CE1-CG 3.64Å; Q596-E600 HydrophobicContact CG-CG 4.46Å; Q596-E600 PolarHBondContact NE2-OE1 2.65Å; Q596-E600 WeakPolarHBondContact O-CB 3.33Å; Q596-E600 WeakPolarHBondContact O-CG 3.41Å; Q596-E600 PolarHBondContact O-N 2.79Å; K597-E600 PolarHBondContact O-N 2.85Å; E600-V602 PolarHBondContact O-N 3.27Å; E600-C603 PolarHBondContact O-N 3.41Å; E600-N604 WeakPolarHBondContact O-CB 3.48Å; E600-N604 PolarHBondContact O-N 2.77Å; E600-N604 PolarHBondContact O-ND2 3.48Å
601K95.3Very high90.8Very high133 Ų13361.9 Ų61.958%0.57829%0.294SS*.Hα-helixtrans-58.3-31.8175.9-81.1171.5-171.5173.10112.8K597 E598 L599 P605K597-K601 WeakPolarHBondContact O-CB 3.23Å; K597-K601 WeakPolarHBondContact O-CG 3.09Å; K597-K601 PolarHBondContact O-N 2.88Å; E598-K601 WeakPolarHBondContact OE1-CD 3.19Å; E598-K601 IonicContact OE1-NZ 2.95Å; E598-K601 PolarHBondContact OE1-NZ 2.88Å; L599-K601 VanDerWaalsContact C-N 3.34Å; L599-K601 PolarHBondContact O-N 2.76Å; K601-P605 WeakPolarHBondContact O-CD 3.32Å; K601-P605 WeakPolarHBondContact O-CG 3.39Å
602V93.6Very high89.9Confident33 Ų3364.6 Ų64.620%0.231%0.307CS..Hα-helixtrans-85.2-46.4177.3178.90000110.9K569 K573 L599 E600 I606K569-V602 HydrophobicContact CG-CG1 4.03Å; K573-V602 HydrophobicContact CB-CG1 4.27Å; K573-V602 HydrophobicContact CD-CG2 4.41Å; K573-V602 HydrophobicContact CG-CB 4.24Å; K573-V602 HydrophobicContact CG-CG2 4.07Å; L599-V602 PolarHBondContact O-N 3.46Å; L599-V602 VanDerWaalsContact O-N 3.14Å; E600-V602 PolarHBondContact O-N 3.27Å; V602-I606 WeakPolarHBondContact O-CD1 3Å
603C91.1Very high88.6Confident0 Ų068.9 Ų68.90%034%0.337CS..Hα-helixtrans-74.2-44.1-173.1-60.70000112.7M549 L599 E600 I606 I607M549-C603 HydrophobicContact SD-CB 4.18Å; L599-C603 PolarHBondContact O-N 2.85Å; L599-C603 PolarHBondContact O-SG 2.8Å; E600-C603 PolarHBondContact O-N 3.41Å; C603-I606 PolarHBondContact O-N 2.86Å; C603-I607 WeakPolarHBondContact O-CB 3.25Å; C603-I607 WeakPolarHBondContact O-CG1 3.32Å; C603-I607 PolarHBondContact O-N 2.86Å
604N91.6Very high87Confident75 Ų7569 Ų6940%0.40135%0.349SS..Hα-helixtrans-61-45.7-171.3-69.9-14.6000113.6Y545 E600 I606 T608Y545-N604 PolarHBondContact OH-OD1 3.07Å; E600-N604 WeakPolarHBondContact O-CB 3.48Å; E600-N604 PolarHBondContact O-N 2.77Å; E600-N604 PolarHBondContact O-ND2 3.48Å; N604-I606 VanDerWaalsContact C-N 3.31Å; N604-I606 PolarHBondContact O-N 2.75Å; N604-T608 VanDerWaalsContact O-CB 3.24Å; N604-T608 WeakPolarHBondContact O-CB 3.4Å; N604-T608 PolarHBondContact O-N 3.13Å; N604-T608 PolarHBondContact O-OG1 3.37Å
605P91.7Very high84.5Confident69 Ų6966.8 Ų66.845%0.44835%0.353SS..Hα-helixtrans-63.7-36.6179.1-23.335.1000113.1K601 K609K601-P605 WeakPolarHBondContact O-CD 3.32Å; K601-P605 WeakPolarHBondContact O-CG 3.39Å; P605-K609 VanDerWaalsContact O-CG 3.32Å; P605-K609 WeakPolarHBondContact O-CG 3.39Å; P605-K609 PolarHBondContact O-N 3.45Å; P605-K609 VanDerWaalsContact O-N 3.09Å
606I88.1Confident82.4Confident12 Ų1269.1 Ų69.16%0.06239%0.386CS..Hα-helixtrans-70.6-48.8-179.5-64.9172.2000109.9I562 D566 K569 I570 V602 C603 N604 T608 K609 L610I562-I606 HydrophobicContact CD1-CG2 3.91Å; I562-I606 HydrophobicContact CG1-CG2 4.48Å; D566-I606 HydrophobicContact CB-CD1 4.17Å; D566-I606 HydrophobicContact CB-CG1 4.37Å; D566-I606 HydrophobicContact CB-CG2 3.71Å; K569-I606 HydrophobicContact CD-CD1 4.31Å; I570-I606 HydrophobicContact CD1-CB 3.99Å; I570-I606 HydrophobicContact CD1-CD1 4.1Å; I570-I606 HydrophobicContact CD1-CG2 3.62Å; I570-I606 HydrophobicContact CG1-CD1 3.82Å; I570-I606 HydrophobicContact CG1-CG2 4.49Å; V602-I606 WeakPolarHBondContact O-CD1 3Å; C603-I606 PolarHBondContact O-N 2.86Å; N604-I606 VanDerWaalsContact C-N 3.31Å; N604-I606 PolarHBondContact O-N 2.75Å; I606-T608 VanDerWaalsContact C-N 3.35Å; I606-T608 PolarHBondContact O-N 2.71Å; I606-K609 PolarHBondContact O-N 3.16Å; I606-L610 WeakPolarHBondContact O-CB 3.33Å; I606-L610 PolarHBondContact O-N 2.94Å
607I85Confident79.5Confident33 Ų3376.3 Ų76.317%0.16942%0.421CS..Hα-helixtrans-64.3-40.8178.2-68.9-176.6000110.9M549 C603 K609 L610 Y611M549-I607 HydrophobicContact CE-CD1 3.64Å; M549-I607 HydrophobicContact SD-CD1 3.28Å; M549-I607 WeakPolarHBondContact SD-CD1 3.44Å; C603-I607 WeakPolarHBondContact O-CB 3.25Å; C603-I607 WeakPolarHBondContact O-CG1 3.32Å; C603-I607 PolarHBondContact O-N 2.86Å; I607-K609 PolarHBondContact O-N 3.46Å; I607-L610 WeakPolarHBondContact O-CB 3.45Å; I607-L610 PolarHBondContact O-N 2.93Å; I607-Y611 HydrophobicContact CG2-CD2 3.6Å; I607-Y611 HydrophobicContact CG2-CE2 3.65Å; I607-Y611 WeakPolarHBondContact O-CD2 3.35Å; I607-Y611 PolarHBondContact O-N 3.24Å
608T86Confident77.1Confident71 Ų7176.9 Ų76.944%0.43644%0.437SS..Hα-helixtrans-61.2-44.7176.7-57.60000111.5N604 I606 L610 Y611 Q612N604-T608 VanDerWaalsContact O-CB 3.24Å; N604-T608 WeakPolarHBondContact O-CB 3.4Å; N604-T608 PolarHBondContact O-N 3.13Å; N604-T608 PolarHBondContact O-OG1 3.37Å; I606-T608 VanDerWaalsContact C-N 3.35Å; I606-T608 PolarHBondContact O-N 2.71Å; T608-L610 VanDerWaalsContact C-N 3.32Å; T608-L610 PolarHBondContact O-N 2.68Å; T608-Y611 PolarHBondContact O-N 2.84Å; T608-Q612 HydrophobicContact CG2-CG 4.48Å; T608-Q612 WeakPolarHBondContact O-CB 3.33Å; T608-Q612 VanDerWaalsContact O-CG 3.3Å; T608-Q612 WeakPolarHBondContact O-CG 2.86Å; T608-Q612 PolarHBondContact O-N 3.39Å
609K83.6Confident74.6Confident131 Ų13178.4 Ų78.457%0.5747%0.467SS*.Hα-helixtrans-60-43.4174.1-77.9176.3-178.3179.90111.6P605 I606 I607 Q612 S613P605-K609 VanDerWaalsContact O-CG 3.32Å; P605-K609 WeakPolarHBondContact O-CG 3.39Å; P605-K609 PolarHBondContact O-N 3.45Å; P605-K609 VanDerWaalsContact O-N 3.09Å; I606-K609 PolarHBondContact O-N 3.16Å; I607-K609 PolarHBondContact O-N 3.46Å; K609-Q612 PolarHBondContact O-N 3.45Å; K609-S613 VanDerWaalsContact O-CB 3.31Å; K609-S613 WeakPolarHBondContact O-CB 3.34Å; K609-S613 PolarHBondContact O-N 3.21Å; K609-S613 PolarHBondContact O-OG 2.87Å
610L78.9Confident71.8Confident26 Ų2682 Ų8214%0.13651%0.505CS..Hα-helixtrans-59.9-48178.2-173.2117.2000111.5L558 K561 I562 I606 I607 T608 Q612 S613 A614L558-L610 HydrophobicContact CD2-CD1 4.16Å; L558-L610 HydrophobicContact CD2-CD2 3.41Å; L558-L610 VanDerWaalsContact CD2-CD2 3.41Å; L558-L610 HydrophobicContact CD2-CG 4.34Å; K561-L610 HydrophobicContact CB-CD1 4.21Å; K561-L610 VanDerWaalsContact O-CD1 3.31Å; K561-L610 WeakPolarHBondContact O-CD1 3.44Å; I562-L610 HydrophobicContact CB-CD1 3.59Å; I562-L610 HydrophobicContact CG1-CD1 4.15Å; I606-L610 WeakPolarHBondContact O-CB 3.33Å; I606-L610 PolarHBondContact O-N 2.94Å; I607-L610 WeakPolarHBondContact O-CB 3.45Å; I607-L610 PolarHBondContact O-N 2.93Å; T608-L610 VanDerWaalsContact C-N 3.32Å; T608-L610 PolarHBondContact O-N 2.68Å; L610-Q612 PolarHBondContact O-N 2.96Å; L610-S613 WeakPolarHBondContact CA-OG 3.46Å; L610-S613 PolarHBondContact O-N 3.23Å; L610-S613 PolarHBondContact O-OG 3.27Å; L610-A614 WeakPolarHBondContact O-CB 3.28Å; L610-A614 PolarHBondContact O-N 3.12Å
611Y76.4Confident69Low170 Ų17087.9 Ų87.967%0.66753%0.534SS*.Hα-helixtrans-63.8-37.9175.3-88.5-81.5000113.2I607 T608I607-Y611 HydrophobicContact CG2-CD2 3.6Å; I607-Y611 HydrophobicContact CG2-CE2 3.65Å; I607-Y611 WeakPolarHBondContact O-CD2 3.35Å; I607-Y611 PolarHBondContact O-N 3.24Å; T608-Y611 PolarHBondContact O-N 2.84Å
612Q76.1Confident66.3Low150 Ų15087.7 Ų87.770%0.70155%0.547SS*.Hα-helixtrans-69.2-36.8176.5-74.4175.6-10.100112.5T608 K609 L610T608-Q612 HydrophobicContact CG2-CG 4.48Å; T608-Q612 WeakPolarHBondContact O-CB 3.33Å; T608-Q612 VanDerWaalsContact O-CG 3.3Å; T608-Q612 WeakPolarHBondContact O-CG 2.86Å; T608-Q612 PolarHBondContact O-N 3.39Å; K609-Q612 PolarHBondContact O-N 3.45Å; L610-Q612 PolarHBondContact O-N 2.96Å
613S64.8Low63.6Low91 Ų9188.6 Ų88.664%0.63656%0.562SS**Hα-helixtrans-75.9-22.2178.664.70000113.9K609 L610 G615K609-S613 VanDerWaalsContact O-CB 3.31Å; K609-S613 WeakPolarHBondContact O-CB 3.34Å; K609-S613 PolarHBondContact O-N 3.21Å; K609-S613 PolarHBondContact O-OG 2.87Å; L610-S613 WeakPolarHBondContact CA-OG 3.46Å; L610-S613 PolarHBondContact O-N 3.23Å; L610-S613 PolarHBondContact O-OG 3.27Å; S613-G615 VanDerWaalsContact C-N 3.31Å; S613-G615 PolarHBondContact O-N 2.76Å
614A58.7Low60.7Low67 Ų6792.5 Ų92.555%0.55460%0.602SS**THydrogen-bonded Turntrans-80.4-5179.600000114.5L610L610-A614 WeakPolarHBondContact O-CB 3.28Å; L610-A614 PolarHBondContact O-N 3.12Å
615G43.8Very low58Low53 Ų5398.1 Ų98.155%0.54662%0.624SS.*  trans72.1112.4-179.300000112.3S613 M617S613-G615 VanDerWaalsContact C-N 3.31Å; S613-G615 PolarHBondContact O-N 2.76Å; G615-M617 PolarHBondContact O-N 3.42Å
616G51.7Low55.7Low81 Ų81100.9 Ų100.984%0.83564%0.642SS**  trans-53.7128.8-175.600000113.9
617M33.4Very low53.1Low183 Ų183104 Ų10490%0.90168%0.676SS**  trans-114.4141.9154.9-95.6-160.1-163.400109.5G615G615-M617 PolarHBondContact O-N 3.42Å
618P44.9Very low50.6Low128 Ų128106.7 Ų106.783%0.83171%0.713SS**  trans-81.9135.6-179.831.1-30.7000112.3
619G43Very low47.8Very low86 Ų86107.1 Ų107.189%0.88773%0.731SS**  trans94.2106.2154.600000115.8
620G37Very low45.3Very low76 Ų76105.4 Ų105.478%0.78474%0.742SS**  trans147.469165.900000112.8P622G620-P622 WeakPolarHBondContact O-CD 3.37Å
621M34.8Very low43.1Very low177 Ų177110.1 Ų110.187%0.87277%0.774SS**  trans-84.2122.7170.1-161-179.3-170.300108.4
622P38.5Very low41.1Very low130 Ų130108 Ų10884%0.84478%0.781SS**  trans-99.5105.1160.125.2-9.7000108.1G620G620-P622 WeakPolarHBondContact O-CD 3.37Å
623G35.8Very low38.9Very low51 Ų51106.6 Ų106.653%0.52679%0.788SS.*  trans153.983.5171.200000113.9F625G623-F625 PolarHBondContact O-N 3.08Å
624G31Very low37.2Very low82 Ų82106.4 Ų106.485%0.84580%0.8SS**PPolyproline II helixtrans-70.1120.7164.400000110.4
625F35.4Very low35.6Very low193 Ų193107.1 Ų107.185%0.84681%0.814SS**PPolyproline II helixtrans-82.7135.6159-98.9-89.8000109G623G623-F625 PolarHBondContact O-N 3.08Å
626P42.5Very low35Very low127 Ų127109.3 Ų109.383%0.82583%0.827SS**PPolyproline II helixtrans-89.5118.8165.331.8-24.6000109.4
627G32.9Very low33.9Very low77 Ų77110.7 Ų110.779%0.79482%0.823SS**  trans-165.4119.4175.400000111.1
628G33.2Very low33.8Very low91 Ų91107.5 Ų107.594%0.93882%0.819SS**  trans-73.3157-162.500000116.9
629G27.8Very low33.2Very low79 Ų79105 Ų10581%0.81482%0.816SS**  trans-165.9121.8168.700000109.9
630A30.1Very low32.8Very low96 Ų96107 Ų10779%0.79381%0.814SS**PPolyproline II helixtrans-60.3158.3-17600000114
631P33.8Very low32.7Very low125 Ų125110.1 Ų110.181%0.81282%0.818SS**PPolyproline II helixtrans-88.2145.4-168.533.6-32000112.9
632P33.3Very low32.6Very low125 Ų125109.6 Ų109.681%0.81282%0.817SS**PPolyproline II helixtrans-92.2147.2153.925.6-11.3000111.3
633S30.9Very low32.3Very low121 Ų121111.9 Ų111.985%0.84682%0.817SS**PPolyproline II helixtrans-61140.4-177.350.40000116.4
634G28.5Very low32.2Very low86 Ų86118.7 Ų118.789%0.88784%0.835SS**  81.3114.4126.700000119.7
635G26.5Very low32.3Very low83 Ų83121 Ų12186%0.85683%0.832SS**  trans162.2111.8158.800000113.8
636A29.6Very low32.3Very low99 Ų99123 Ų12382%0.81885%0.851SS**  trans-69.7149.4-173.200000115.4
637S29.2Very low31.7Very low109 Ų109122.8 Ų122.876%0.76285%0.853SS**  162.614011850.50000113.8
638S31.5Very low31.7Very low116 Ų116125.2 Ų125.281%0.81186%0.856SS**  trans54.4106154.459.90000120.3
639G31.3Very low31.6Very low75 Ų75127.1 Ų127.177%0.77385%0.851SS**PPolyproline II helixtrans-86.6166.3160.200000112.8
640P35.4Very low31.8Very low130 Ų130129.9 Ų129.984%0.84485%0.853SS**PPolyproline II helixtrans-98.5144.5168.125-9.4000112.7
641T35.5Very low31.9Very low140 Ų140132 Ų13286%0.85986%0.857SS**PPolyproline II helixtrans-67.4147.4174.737.10000113.3
642I32.4Very low31.8Very low166 Ų166132.5 Ų132.585%0.85186%0.86SS**PPolyproline II helixtrans-92.9125171.3-65.1168.9000108.1
643E31.5Very low31.7Very low179 Ų179133 Ų13384%0.83686%0.864SS**PPolyproline II helixtrans-87.1130165-82.1-178.6152.400109.6
644E33.7Very low31.8Very low193 Ų193133.9 Ų133.990%0.90287%0.865SS**PPolyproline II helixtrans-67.6138.6164.7-68.9177.2149.700110.2
645V32.9Very low32.1Very low130 Ų130137.9 Ų137.979%0.78886%0.863SS**  trans-143.6113.7154.9-163.80000108.6
646D35.2Very low32.6Very low235 Ų235142.9 Ų142.9100%1.25786%0.864SS**  trans350162.1-66-22.6000121.8

Retrieved 646 of 646 residues in 955.3 ms (Link to these results)

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