A0A087XRR6_POEFO Loading...

phospholipase A2

AlphaFold DB , UniProt , Accession A0A087XRR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 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
1M53.4Low58.7Low133 Ų13380.5 Ų80.566%0.65547%0.467SS*.  098.60-179.9-175.3-166.800108.2R67M1-R67 VanDerWaalsContact CE-CD 3.46Å; M1-R67 HydrophobicContact CE-CG 3.4Å; M1-R67 VanDerWaalsContact CE-CZ 3.44Å
2F44.4Very low60.9Low143 Ų14380.3 Ų80.363%0.62746%0.456SS*.EExtended strand (participates in β ladder)trans-159.1136.2158-69.6-66.9000110.2
3S57.7Low62.6Low51 Ų5179.2 Ų79.236%0.35745%0.452SS..EExtended strand (participates in β ladder)trans-142.5136.2-179.2-50.90000109.7
4V49.4Very low64Low105 Ų10575.8 Ų75.864%0.63644%0.435SS*.EExtended strand (participates in β ladder)trans-146.9127.5146.8-170.30000111.2F9V4-F9 PolarHBondContact N-O 2.72Å; V4-F9 VanDerWaalsContact N-O 3.14Å; V4-F9 PolarHBondContact O-N 3.34Å; V4-F9 VanDerWaalsContact O-N 3.13Å; V4-F9 VanDerWaalsContact O-O 3.06Å
5V50.6Low65.2Low68 Ų6878.9 Ų78.941%0.41246%0.459SS..THydrogen-bonded Turntrans-119.495.4173.9-178.30000110.5T8V5-T8 HydrophobicContact CG1-CG2 4.13Å
6N47.2Very low66.2Low172 Ų17279.4 Ų79.492%0.9246%0.459SS*.THydrogen-bonded Turntrans-169.751.3141-101.6-10.9000106.9
7G53.1Low66.6Low69 Ų6979.8 Ų79.871%0.71148%0.484SS*.THydrogen-bonded Turntrans154.151.8-162.600000108.1F9G7-F9 PolarHBondContact O-N 2.71Å
8T58.9Low67.2Low68 Ų6878.8 Ų78.842%0.41749%0.493SS..THydrogen-bonded Turntrans-45113.4-148.322.80000115.9V5 D26V5-T8 HydrophobicContact CG1-CG2 4.13Å; T8-D26 WeakPolarHBondContact CB-O 3.38Å; T8-D26 WeakPolarHBondContact O-CA 3.32Å; T8-D26 PolarHBondContact OG1-O 3.14Å
9F68.4Low68.1Low59 Ų5977.2 Ų77.226%0.25948%0.48SS..EExtended strand (participates in β ladder)trans-143.3116.8162.6173.1-102.6000109.4V4 G7 A11 S25 A86 M88V4-F9 PolarHBondContact N-O 2.72Å; V4-F9 VanDerWaalsContact N-O 3.14Å; V4-F9 PolarHBondContact O-N 3.34Å; V4-F9 VanDerWaalsContact O-N 3.13Å; V4-F9 VanDerWaalsContact O-O 3.06Å; G7-F9 PolarHBondContact O-N 2.71Å; F9-A11 HydrophobicContact CE1-CB 4.13Å; F9-A11 HydrophobicContact CZ-CB 3.99Å; F9-S25 CarbonylContact C-O 3.59Å; F9-S25 WeakPolarHBondContact CA-O 3.17Å; F9-A86 WeakPolarHBondContact CE2-O 3.32Å; F9-A86 WeakPolarHBondContact CZ-O 3.38Å; F9-M88 HydrophobicContact CD2-CB 3.8Å; F9-M88 HydrophobicContact CD2-CG 3.46Å; F9-M88 VanDerWaalsContact CD2-CG 3.46Å; F9-M88 HydrophobicContact CE2-CB 3.83Å; F9-M88 HydrophobicContact CE2-CG 3.65Å
10C79.6Confident68.9Low6 Ų675.2 Ų75.24%0.04147%0.467CS..EExtended strand (participates in β ladder)trans-123124.5178.1155.80000108.7V24 S25 F56 C60C10-V24 CarbonylContact O-C 3.55Å; C10-V24 VanDerWaalsContact O-CA 3.24Å; C10-V24 WeakPolarHBondContact O-CA 3.24Å; C10-S25 PolarHBondContact N-O 3.43Å; C10-S25 PolarHBondContact O-N 3.13Å; C10-F56 HydrophobicContact CB-CE1 4.19Å; C10-F56 WeakPolarHBondContact SG-CE1 3.43Å; C10-F56 WeakPolarHBondContact SG-CZ 3.08Å; C10-C60 HydrophobicContact CB-CB 3.79Å; C10-C60 WeakPolarHBondContact CB-SG 3.5Å; C10-C60 WeakPolarHBondContact SG-CB 3.19Å; C10-C60 CovalentContact SG-SG 2Å; C10-C60 PolarHBondContact SG-SG 2.64Å
11A83.4Confident69.8Low12 Ų1272.8 Ų72.810%0.09945%0.451CS..EExtended strand (participates in β ladder)trans-129.8125.7179.500000110.9F9 Q23 V24 A86F9-A11 HydrophobicContact CE1-CB 4.13Å; F9-A11 HydrophobicContact CZ-CB 3.99Å; A11-Q23 CarbonylContact C-O 3.44Å; A11-Q23 WeakPolarHBondContact CA-O 3.45Å; A11-V24 HydrophobicContact CB-CG1 3.82Å; A11-A86 WeakPolarHBondContact CB-O 2.94Å
12K84.3Confident71.5Confident78 Ų7867 Ų6734%0.33942%0.422SS..EExtended strand (participates in β ladder)trans-122.6131.5176.3-173.7178.9-180-175.40109.6Q23 F56 E59K12-Q23 PolarHBondContact N-O 3.15Å; K12-Q23 PolarHBondContact O-N 2.72Å; K12-F56 HydrophobicContact CB-CE2 4.05Å; K12-F56 HydrophobicContact CB-CZ 4.12Å; K12-E59 IonicContact NZ-OE1 4Å; K12-E59 PolarHBondContact NZ-OE1 2.89Å
13T83.7Confident73.6Confident66 Ų6661.5 Ų61.541%0.40540%0.399SS..EExtended strand (participates in β ladder)trans-114.6135.1174.857.40000109.7L21 Y22T13-L21 CarbonylContact C-O 3.6Å; T13-L21 WeakPolarHBondContact CA-O 3.43Å; T13-Y22 HydrophobicContact CG2-CD1 3.33Å; T13-Y22 HydrophobicContact CG2-CE1 3.56Å; T13-Y22 HydrophobicContact CG2-CG 4.18Å
14S82.1Confident75.1Confident31 Ų3159.1 Ų59.122%0.21738%0.382CS..EExtended strand (participates in β ladder)trans-144.8140.5179.353.40000111.1L21S14-L21 PolarHBondContact N-O 2.81Å; S14-L21 PolarHBondContact O-N 3.47Å
15P82.4Confident76.9Confident122 Ų12254.2 Ų54.279%0.79235%0.352SS*.EExtended strand (participates in β ladder)trans-68.2140.3173.629.4-33.8000110.5
16L80.2Confident78.6Confident87 Ų8752.6 Ų52.646%0.45534%0.342SS..EExtended strand (participates in β ladder)trans-140.994.7-178.9-171.175.1000110.4G18 N19 L21 V34L16-G18 VanDerWaalsContact C-N 3.33Å; L16-G18 PolarHBondContact O-N 3.25Å; L16-N19 PolarHBondContact N-O 3Å; L16-N19 WeakPolarHBondContact O-CA 3.35Å; L16-N19 WeakPolarHBondContact O-CB 3.4Å; L16-N19 PolarHBondContact O-N 2.73Å; L16-L21 HydrophobicContact CB-CB 4.15Å; L16-L21 HydrophobicContact CD2-CB 4.37Å; L16-V34 HydrophobicContact CD2-CG1 4.38Å; L16-V34 HydrophobicContact CD2-CG2 3.99Å
17G73.4Confident80.1Confident86 Ų8646.3 Ų46.389%0.88732%0.317SS*.THydrogen-bonded Turntrans56.940.8171.200000114.5N19G17-N19 VanDerWaalsContact C-N 3.3Å; G17-N19 PolarHBondContact O-N 3.27Å
18G76.7Confident81.6Confident62 Ų6246.2 Ų46.264%0.63931%0.309SS*.THydrogen-bonded Turntrans86.8-10.4-175.600000114.8L16 P37L16-G18 VanDerWaalsContact C-N 3.33Å; L16-G18 PolarHBondContact O-N 3.25Å; G18-P37 WeakPolarHBondContact O-CD 3.38Å; G18-P37 WeakPolarHBondContact O-CG 3.14Å
19N84.9Confident83Confident48 Ų4844.8 Ų44.826%0.25730%0.298SS..EExtended strand (participates in β ladder)trans-101.5172.1171.3-61.3-36.2000110.8L16 G17 V34 V35 S36 P37L16-N19 PolarHBondContact N-O 3Å; L16-N19 WeakPolarHBondContact O-CA 3.35Å; L16-N19 WeakPolarHBondContact O-CB 3.4Å; L16-N19 PolarHBondContact O-N 2.73Å; G17-N19 VanDerWaalsContact C-N 3.3Å; G17-N19 PolarHBondContact O-N 3.27Å; N19-V34 HydrophobicContact CB-CG1 3.67Å; N19-V35 WeakPolarHBondContact CA-O 3.27Å; N19-V35 VanDerWaalsContact CB-O 3.31Å; N19-V35 WeakPolarHBondContact CB-O 3.3Å; N19-S36 WeakPolarHBondContact OD1-CA 3.45Å; N19-P37 WeakPolarHBondContact OD1-CD 3.46Å
20V84.8Confident84.1Confident37 Ų3742 Ų4222%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-112124.2175.4-172.30000109.6Y22 V34 V35V20-Y22 HydrophobicContact CB-CE2 3.74Å; V20-Y22 HydrophobicContact CG1-CD2 4.08Å; V20-Y22 HydrophobicContact CG1-CE1 4.38Å; V20-Y22 HydrophobicContact CG1-CE2 3.42Å; V20-Y22 VanDerWaalsContact CG1-CE2 3.42Å; V20-V34 WeakPolarHBondContact O-CA 3.26Å; V20-V35 PolarHBondContact N-O 3.2Å; V20-V35 PolarHBondContact O-N 3.12Å
21L88Confident84.6Confident25 Ų2541.9 Ų41.913%0.13129%0.285CS..EExtended strand (participates in β ladder)trans-95.3122.2173.4171.466000109.5T13 S14 L16 Q23 R32 V34T13-L21 CarbonylContact C-O 3.6Å; T13-L21 WeakPolarHBondContact CA-O 3.43Å; S14-L21 PolarHBondContact N-O 2.81Å; S14-L21 PolarHBondContact O-N 3.47Å; L16-L21 HydrophobicContact CB-CB 4.15Å; L16-L21 HydrophobicContact CD2-CB 4.37Å; L21-Q23 HydrophobicContact CD1-CG 4.2Å; L21-Q23 HydrophobicContact CD2-CG 4.23Å; L21-Q23 HydrophobicContact CG-CG 4.04Å; L21-R32 HydrophobicContact CD1-CB 4.27Å; L21-V34 HydrophobicContact CB-CG2 4.49Å; L21-V34 HydrophobicContact CD1-CG2 3.72Å
22Y87.6Confident85.1Confident11 Ų1145 Ų454%0.04329%0.294CS..EExtended strand (participates in β ladder)trans-105.3132.3170-56.4-104.6000108.9T13 V20 R32 T33 V35 E82 F85 A86T13-Y22 HydrophobicContact CG2-CD1 3.33Å; T13-Y22 HydrophobicContact CG2-CE1 3.56Å; T13-Y22 HydrophobicContact CG2-CG 4.18Å; V20-Y22 HydrophobicContact CB-CE2 3.74Å; V20-Y22 HydrophobicContact CG1-CD2 4.08Å; V20-Y22 HydrophobicContact CG1-CE1 4.38Å; V20-Y22 HydrophobicContact CG1-CE2 3.42Å; V20-Y22 VanDerWaalsContact CG1-CE2 3.42Å; Y22-R32 CarbonylContact O-C 3.55Å; Y22-R32 WeakPolarHBondContact O-CA 3.36Å; Y22-T33 WeakPolarHBondContact CB-OG1 3.31Å; Y22-T33 PolarHBondContact N-O 3.42Å; Y22-T33 PolarHBondContact O-N 2.85Å; Y22-T33 PolarHBondContact O-OG1 2.95Å; Y22-V35 HydrophobicContact CD2-CB 4.49Å; Y22-V35 HydrophobicContact CD2-CG2 3.76Å; Y22-V35 HydrophobicContact CE2-CB 4.02Å; Y22-V35 HydrophobicContact CE2-CG2 3.66Å; Y22-E82 WeakPolarHBondContact CE1-O 3.48Å; Y22-E82 VanDerWaalsContact OH-CG 3.29Å; Y22-E82 WeakPolarHBondContact OH-CG 3.14Å; Y22-E82 PolarHBondContact OH-O 2.65Å; Y22-F85 WeakPolarHBondContact CB-O 3.27Å; Y22-F85 HydrophobicContact CD1-CB 4.18Å; Y22-F85 HydrophobicContact CD2-CB 3.85Å; Y22-F85 HydrophobicContact CE2-CB 4.35Å; Y22-F85 HydrophobicContact CG-CB 3.78Å; Y22-A86 HydrophobicContact CD1-CB 3.93Å; Y22-A86 HydrophobicContact CE1-CB 4.27Å
23Q89.8Confident85.4Confident28 Ų2841.3 Ų41.313%0.13128%0.278CS..EExtended strand (participates in β ladder)trans-124.3120173.2-60.1-1747700107.7A11 K12 L21 I31 R32 F56A11-Q23 CarbonylContact C-O 3.44Å; A11-Q23 WeakPolarHBondContact CA-O 3.45Å; K12-Q23 PolarHBondContact N-O 3.15Å; K12-Q23 PolarHBondContact O-N 2.72Å; L21-Q23 HydrophobicContact CD1-CG 4.2Å; L21-Q23 HydrophobicContact CD2-CG 4.23Å; L21-Q23 HydrophobicContact CG-CG 4.04Å; Q23-I31 WeakPolarHBondContact CA-O 3.38Å; Q23-R32 HydrophobicContact CG-CB 4.42Å; Q23-R32 HydrophobicContact CG-CG 4.01Å; Q23-R32 VanDerWaalsContact OE1-NE 3.13Å; Q23-F56 HydrophobicContact CB-CE2 3.68Å; Q23-F56 HydrophobicContact CB-CZ 3.63Å; Q23-F56 WeakPolarHBondContact O-CZ 2.98Å
24V88.7Confident85.7Confident1 Ų138.8 Ų38.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-128.3139.8-175.6-65.90000109.8C10 A11 V30 I31 F85 A86 M88 A91C10-V24 CarbonylContact O-C 3.55Å; C10-V24 VanDerWaalsContact O-CA 3.24Å; C10-V24 WeakPolarHBondContact O-CA 3.24Å; A11-V24 HydrophobicContact CB-CG1 3.82Å; V24-V30 CarbonylContact O-C 3.6Å; V24-V30 VanDerWaalsContact O-CA 3.31Å; V24-V30 WeakPolarHBondContact O-CA 3.4Å; V24-I31 HydrophobicContact CG2-CB 3.94Å; V24-I31 PolarHBondContact N-O 3.48Å; V24-I31 PolarHBondContact O-N 3.24Å; V24-F85 WeakPolarHBondContact CG1-O 3.35Å; V24-A86 VanDerWaalsContact CG1-C 3.5Å; V24-A86 WeakPolarHBondContact CG1-O 3.39Å; V24-M88 HydrophobicContact CB-CG 3.98Å; V24-M88 HydrophobicContact CB-SD 3.5Å; V24-M88 WeakPolarHBondContact CB-SD 2.93Å; V24-M88 HydrophobicContact CG2-CG 4.28Å; V24-M88 HydrophobicContact CG2-SD 3.38Å; V24-M88 WeakPolarHBondContact CG2-SD 3.34Å; V24-A91 HydrophobicContact CG2-CB 3.58Å
25S87.8Confident85.9Confident2 Ų237.7 Ų37.71%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-143.5142.4-179.3-173.20000112.3F9 C10 G27 E29 M88F9-S25 CarbonylContact C-O 3.59Å; F9-S25 WeakPolarHBondContact CA-O 3.17Å; C10-S25 PolarHBondContact N-O 3.43Å; C10-S25 PolarHBondContact O-N 3.13Å; S25-G27 PolarHBondContact OG-N 2.67Å; S25-G27 VanDerWaalsContact OG-N 3.15Å; S25-E29 VanDerWaalsContact CA-O 3.26Å; S25-E29 WeakPolarHBondContact CA-O 3.24Å; S25-E29 VanDerWaalsContact CB-O 3.27Å; S25-E29 WeakPolarHBondContact CB-O 3.01Å; S25-E29 PolarHBondContact OG-O 2.78Å; S25-M88 VanDerWaalsContact CA-SD 3.57Å; S25-M88 PolarHBondContact N-SD 2.03Å
26D85.4Confident86Confident35 Ų3533.2 Ų33.219%0.18723%0.226CC..  trans-10510.4170.875-23.5000113T8 A28 E29 M88 R92T8-D26 WeakPolarHBondContact CB-O 3.38Å; T8-D26 WeakPolarHBondContact O-CA 3.32Å; T8-D26 PolarHBondContact OG1-O 3.14Å; D26-A28 VanDerWaalsContact C-N 3.3Å; D26-A28 PolarHBondContact O-N 2.78Å; D26-A28 WeakPolarHBondContact OD1-CB 3.27Å; D26-A28 PolarHBondContact OD1-N 3.19Å; D26-E29 PolarHBondContact OD1-N 3.15Å; D26-M88 HydrophobicContact CB-CE 3.84Å; D26-M88 HydrophobicContact CB-CG 4.41Å; D26-R92 IonicContact OD1-NH2 3.25Å; D26-R92 PolarHBondContact OD1-NH2 3.31Å; D26-R92 IonicContact OD2-CZ 3.11Å; D26-R92 IonicContact OD2-NH1 3.18Å; D26-R92 PolarHBondContact OD2-NH1 2.7Å; D26-R92 IonicContact OD2-NH2 2.64Å; D26-R92 PolarHBondContact OD2-NH2 2.83Å
27G79.5Confident85.8Confident39 Ų3934.3 Ų34.340%0.40224%0.239SC..SBendtrans84.1-7.8-177.100000115.2S25 V53S25-G27 PolarHBondContact OG-N 2.67Å; S25-G27 VanDerWaalsContact OG-N 3.15Å; G27-V53 WeakPolarHBondContact O-CG1 3.1Å
28A84.3Confident85.9Confident67 Ų6733.7 Ų33.755%0.55423%0.232SC*.SBendtrans-97.8-39.8168.900000111.7D26D26-A28 VanDerWaalsContact C-N 3.3Å; D26-A28 PolarHBondContact O-N 2.78Å; D26-A28 WeakPolarHBondContact OD1-CB 3.27Å; D26-A28 PolarHBondContact OD1-N 3.19Å
29E88.9Confident85.9Confident39 Ų3933 Ų3318%0.18223%0.225CC..  trans-143.1165.8179.469.5-166.816900111.6S25 D26 I31 V46 V47 V48 M88 R92S25-E29 VanDerWaalsContact CA-O 3.26Å; S25-E29 WeakPolarHBondContact CA-O 3.24Å; S25-E29 VanDerWaalsContact CB-O 3.27Å; S25-E29 WeakPolarHBondContact CB-O 3.01Å; S25-E29 PolarHBondContact OG-O 2.78Å; D26-E29 PolarHBondContact OD1-N 3.15Å; E29-I31 HydrophobicContact CG-CG1 4.48Å; E29-V46 HydrophobicContact CB-CG1 4.35Å; E29-V46 HydrophobicContact CG-CG1 4.36Å; E29-V46 WeakPolarHBondContact OE2-CG1 3.41Å; E29-V47 CarbonylContact C-O 3.57Å; E29-V47 VanDerWaalsContact CA-O 3.32Å; E29-V47 WeakPolarHBondContact CA-O 3.22Å; E29-V48 HydrophobicContact CB-CG1 3.99Å; E29-M88 HydrophobicContact CG-CE 4.23Å; E29-R92 IonicContact OE1-CZ 3.17Å; E29-R92 IonicContact OE1-NE 2.73Å; E29-R92 PolarHBondContact OE1-NE 3.06Å; E29-R92 IonicContact OE1-NH2 2.72Å; E29-R92 PolarHBondContact OE1-NH2 2.79Å
30V90.8Very high85.7Confident1 Ų137.8 Ų37.81%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-120.9121.6172.3-179.30000108V24 R32 V47 V53 F56V24-V30 CarbonylContact O-C 3.6Å; V24-V30 VanDerWaalsContact O-CA 3.31Å; V24-V30 WeakPolarHBondContact O-CA 3.4Å; V30-R32 HydrophobicContact CG1-CG 4.17Å; V30-V47 HydrophobicContact CB-CB 4.29Å; V30-V47 PolarHBondContact N-O 3.31Å; V30-V47 PolarHBondContact O-N 2.89Å; V30-V53 HydrophobicContact CG2-CB 4.3Å; V30-V53 HydrophobicContact CG2-CG1 4.45Å; V30-V53 HydrophobicContact CG2-CG2 4.02Å; V30-F56 HydrophobicContact CG1-CD1 4.07Å; V30-F56 HydrophobicContact CG1-CE1 4.18Å; V30-F56 HydrophobicContact CG1-CG 4.33Å; V30-F56 HydrophobicContact CG2-CB 3.99Å; V30-F56 HydrophobicContact CG2-CD1 3.67Å; V30-F56 HydrophobicContact CG2-CE1 4.44Å; V30-F56 HydrophobicContact CG2-CG 4.02Å
31I91.1Very high85.6Confident2 Ų237 Ų371%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-98.8128.4173.1-55179.8000108Q23 V24 E29 T33 V46 M88 A91 R92 C95Q23-I31 WeakPolarHBondContact CA-O 3.38Å; V24-I31 HydrophobicContact CG2-CB 3.94Å; V24-I31 PolarHBondContact N-O 3.48Å; V24-I31 PolarHBondContact O-N 3.24Å; E29-I31 HydrophobicContact CG-CG1 4.48Å; I31-T33 HydrophobicContact CG2-CG2 4.14Å; I31-V46 HydrophobicContact CG1-CG1 4.27Å; I31-V46 HydrophobicContact CG1-CG2 4.23Å; I31-M88 HydrophobicContact CD1-CE 4.25Å; I31-M88 HydrophobicContact CG1-CE 4.41Å; I31-A91 HydrophobicContact CB-CB 4.35Å; I31-A91 HydrophobicContact CD1-CB 4.29Å; I31-A91 HydrophobicContact CG2-CB 4.03Å; I31-R92 HydrophobicContact CD1-CB 4.14Å; I31-R92 HydrophobicContact CD1-CG 3.36Å; I31-C95 HydrophobicContact CG2-CB 4.31Å
32R92.4Very high85.7Confident79 Ų7939 Ų3930%0.29825%0.253SS..EExtended strand (participates in β ladder)trans-114.9117.4177.7-52.7-173.3176.2144.411.1109.2L21 Y22 Q23 V30 C44 S45 E52L21-R32 HydrophobicContact CD1-CB 4.27Å; Y22-R32 CarbonylContact O-C 3.55Å; Y22-R32 WeakPolarHBondContact O-CA 3.36Å; Q23-R32 HydrophobicContact CG-CB 4.42Å; Q23-R32 HydrophobicContact CG-CG 4.01Å; Q23-R32 VanDerWaalsContact OE1-NE 3.13Å; V30-R32 HydrophobicContact CG1-CG 4.17Å; R32-C44 CarbonylContact O-C 3.59Å; R32-C44 VanDerWaalsContact O-CA 3.31Å; R32-C44 WeakPolarHBondContact O-CA 3.44Å; R32-S45 PolarHBondContact N-O 3.37Å; R32-S45 PolarHBondContact O-N 2.92Å; R32-E52 IonicContact CZ-OE2 3.94Å; R32-E52 IonicContact NH1-OE2 3.2Å; R32-E52 IonicContact NH2-OE2 3.12Å; R32-E52 PolarHBondContact NH2-OE2 2.64Å
33T90.4Very high85.7Confident0 Ų041.7 Ų41.70%027%0.271CS..EExtended strand (participates in β ladder)trans-122128.5-178.943.90000109.8Y22 I31 L41 T43 C44 F85Y22-T33 WeakPolarHBondContact CB-OG1 3.31Å; Y22-T33 PolarHBondContact N-O 3.42Å; Y22-T33 PolarHBondContact O-N 2.85Å; Y22-T33 PolarHBondContact O-OG1 2.95Å; I31-T33 HydrophobicContact CG2-CG2 4.14Å; T33-L41 HydrophobicContact CG2-CD1 3.8Å; T33-T43 WeakPolarHBondContact CA-O 3.29Å; T33-C44 HydrophobicContact CG2-CB 4.1Å; T33-C44 WeakPolarHBondContact CG2-SG 3.33Å; T33-F85 HydrophobicContact CG2-CD1 3.98Å
34V90.8Very high85.8Confident13 Ų1340.9 Ų40.98%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-106.3125174.2-179.70000108.7L16 N19 V20 L21 V42 T43L16-V34 HydrophobicContact CD2-CG1 4.38Å; L16-V34 HydrophobicContact CD2-CG2 3.99Å; N19-V34 HydrophobicContact CB-CG1 3.67Å; V20-V34 WeakPolarHBondContact O-CA 3.26Å; L21-V34 HydrophobicContact CB-CG2 4.49Å; L21-V34 HydrophobicContact CD1-CG2 3.72Å; V34-V42 HydrophobicContact CG1-CB 4.45Å; V34-V42 WeakPolarHBondContact O-CB 3.49Å; V34-V42 PolarHBondContact O-N 3.24Å; V34-T43 HydrophobicContact CB-CG2 3.57Å; V34-T43 HydrophobicContact CG2-CG2 3.5Å; V34-T43 VanDerWaalsContact CG2-CG2 3.5Å; V34-T43 PolarHBondContact N-O 3.28Å; V34-T43 PolarHBondContact O-N 2.91Å
35V85.6Confident86Confident7 Ų743.1 Ų43.14%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-118.9134.7-173.9-170.60000108.9N19 V20 Y22 G39 Q40 L41 F85N19-V35 WeakPolarHBondContact CA-O 3.27Å; N19-V35 VanDerWaalsContact CB-O 3.31Å; N19-V35 WeakPolarHBondContact CB-O 3.3Å; V20-V35 PolarHBondContact N-O 3.2Å; V20-V35 PolarHBondContact O-N 3.12Å; Y22-V35 HydrophobicContact CD2-CB 4.49Å; Y22-V35 HydrophobicContact CD2-CG2 3.76Å; Y22-V35 HydrophobicContact CE2-CB 4.02Å; Y22-V35 HydrophobicContact CE2-CG2 3.66Å; V35-G39 VanDerWaalsContact CG1-C 3.47Å; V35-Q40 WeakPolarHBondContact CA-O 3.47Å; V35-L41 HydrophobicContact CG2-CD1 4.22Å; V35-F85 HydrophobicContact CB-CD2 4.44Å; V35-F85 HydrophobicContact CG1-CD2 4.27Å; V35-F85 HydrophobicContact CG1-CE2 4.08Å; V35-F85 HydrophobicContact CG2-CB 4.23Å; V35-F85 HydrophobicContact CG2-CD2 3.32Å; V35-F85 HydrophobicContact CG2-CE2 3.69Å; V35-F85 HydrophobicContact CG2-CG 3.76Å; V35-F85 HydrophobicContact CG2-CZ 4.43Å
36S84.3Confident86.2Confident29 Ų2946.2 Ų46.220%0.20330%0.302CS..  trans-72.2163.117671.60000111.5N19 G38 G39 Q40N19-S36 WeakPolarHBondContact OD1-CA 3.45Å; S36-G38 PolarHBondContact O-N 2.82Å; S36-G38 PolarHBondContact OG-N 2.92Å; S36-G39 PolarHBondContact O-N 3.13Å; S36-Q40 PolarHBondContact N-O 3.06Å; S36-Q40 PolarHBondContact OG-N 3.08Å; S36-Q40 PolarHBondContact OG-O 2.89Å
37P77.1Confident86.5Confident110 Ų11045.5 Ų45.571%0.71430%0.299SS*.THydrogen-bonded Turntrans-55.9-21.8172.1-2836.2000114.4G18 N19 G39G18-P37 WeakPolarHBondContact O-CD 3.38Å; G18-P37 WeakPolarHBondContact O-CG 3.14Å; N19-P37 WeakPolarHBondContact OD1-CD 3.46Å; P37-G39 VanDerWaalsContact C-N 3.27Å; P37-G39 PolarHBondContact O-N 3.45Å
38G75.4Confident87Confident72 Ų7248.4 Ų48.474%0.74231%0.309SS*.THydrogen-bonded Turntrans-86.312.3175.300000114.2S36 Q40S36-G38 PolarHBondContact O-N 2.82Å; S36-G38 PolarHBondContact OG-N 2.92Å; G38-Q40 VanDerWaalsContact C-N 3.26Å; G38-Q40 PolarHBondContact O-N 2.9Å
39G75.6Confident87.4Confident48 Ų4849 Ų4950%0.49530%0.303SS..SBendtrans76.85.2177.900000115V35 S36 P37V35-G39 VanDerWaalsContact CG1-C 3.47Å; S36-G39 PolarHBondContact O-N 3.13Å; P37-G39 VanDerWaalsContact C-N 3.27Å; P37-G39 PolarHBondContact O-N 3.45Å
40Q82.3Confident87.2Confident148 Ų14856.9 Ų56.969%0.69233%0.331SS*.  trans-91.7133.1-176.8-164.7169.537.900111.6V35 S36 G38 V42V35-Q40 WeakPolarHBondContact CA-O 3.47Å; S36-Q40 PolarHBondContact N-O 3.06Å; S36-Q40 PolarHBondContact OG-N 3.08Å; S36-Q40 PolarHBondContact OG-O 2.89Å; G38-Q40 VanDerWaalsContact C-N 3.26Å; G38-Q40 PolarHBondContact O-N 2.9Å; Q40-V42 PolarHBondContact O-N 2.64Å
41L83.1Confident87Confident20 Ų2062.1 Ų62.111%0.10536%0.363CS..EExtended strand (participates in β ladder)trans-66.7123.6175.3-17065.4000110T33 V35 C44 F85 F98T33-L41 HydrophobicContact CG2-CD1 3.8Å; V35-L41 HydrophobicContact CG2-CD1 4.22Å; L41-C44 HydrophobicContact CD2-CB 4.17Å; L41-F85 HydrophobicContact CB-CE1 4.31Å; L41-F85 HydrophobicContact CB-CZ 4.03Å; L41-F85 HydrophobicContact CD1-CD1 4.15Å; L41-F85 HydrophobicContact CD1-CE1 3.82Å; L41-F85 HydrophobicContact CD1-CZ 4.18Å; L41-F85 HydrophobicContact CD2-CE1 4.04Å; L41-F85 HydrophobicContact CG-CE1 4.3Å; L41-F85 HydrophobicContact CG-CZ 4.49Å; L41-F98 HydrophobicContact CB-CD2 4.11Å; L41-F98 HydrophobicContact CB-CE2 4.36Å; L41-F98 HydrophobicContact CD2-CB 3.55Å; L41-F98 HydrophobicContact CD2-CD1 4.19Å; L41-F98 HydrophobicContact CD2-CD2 3.86Å; L41-F98 HydrophobicContact CD2-CG 3.59Å; L41-F98 HydrophobicContact CG-CD2 4.05Å; L41-F98 HydrophobicContact CG-CE2 4.4Å; L41-F98 HydrophobicContact CG-CG 4.11Å; L41-F98 WeakPolarHBondContact O-CE2 3.42Å
42V88.3Confident86.7Confident67 Ų6765.9 Ų65.941%0.40638%0.381SS..EExtended strand (participates in β ladder)trans-99.3-40.5-176.8179.70000110.9V34 Q40 F98V34-V42 HydrophobicContact CG1-CB 4.45Å; V34-V42 WeakPolarHBondContact O-CB 3.49Å; V34-V42 PolarHBondContact O-N 3.24Å; Q40-V42 PolarHBondContact O-N 2.64Å; V42-F98 VanDerWaalsContact O-CZ 3.26Å; V42-F98 WeakPolarHBondContact O-CZ 3.45Å
43T89.1Confident86.4Confident69 Ų6962.3 Ų62.342%0.42337%0.368SS..EExtended strand (participates in β ladder)trans-151.8150.8174-175.60000110.3T33 V34T33-T43 WeakPolarHBondContact CA-O 3.29Å; V34-T43 HydrophobicContact CB-CG2 3.57Å; V34-T43 HydrophobicContact CG2-CG2 3.5Å; V34-T43 VanDerWaalsContact CG2-CG2 3.5Å; V34-T43 PolarHBondContact N-O 3.28Å; V34-T43 PolarHBondContact O-N 2.91Å
44C90.8Very high86.1Confident10 Ų1069.3 Ų69.37%0.06840%0.398CS..EExtended strand (participates in β ladder)trans-136.9147.1171.2-169.20000110.4R32 T33 L41 C95 F98R32-C44 CarbonylContact O-C 3.59Å; R32-C44 VanDerWaalsContact O-CA 3.31Å; R32-C44 WeakPolarHBondContact O-CA 3.44Å; T33-C44 HydrophobicContact CG2-CB 4.1Å; T33-C44 WeakPolarHBondContact CG2-SG 3.33Å; L41-C44 HydrophobicContact CD2-CB 4.17Å; C44-C95 HydrophobicContact CB-CB 4Å; C44-C95 WeakPolarHBondContact CB-SG 3.42Å; C44-C95 VanDerWaalsContact SG-CA 3.56Å; C44-C95 WeakPolarHBondContact SG-CB 3.41Å; C44-C95 CovalentContact SG-SG 2Å; C44-C95 PolarHBondContact SG-SG 3.26Å; C44-F98 HydrophobicContact CB-CD1 4.33Å
45S92.9Very high85.9Confident49 Ų4972.4 Ų72.434%0.34342%0.42SS..EExtended strand (participates in β ladder)trans-147.3142.8174.257.30000110.7R32R32-S45 PolarHBondContact N-O 3.37Å; R32-S45 PolarHBondContact O-N 2.92Å
46V92.8Very high85.9Confident66 Ų6672.5 Ų72.540%0.442%0.42SS..EExtended strand (participates in β ladder)trans-111.3123.5177.5-174.10000109.5E29 I31 V48 C95E29-V46 HydrophobicContact CB-CG1 4.35Å; E29-V46 HydrophobicContact CG-CG1 4.36Å; E29-V46 WeakPolarHBondContact OE2-CG1 3.41Å; I31-V46 HydrophobicContact CG1-CG1 4.27Å; I31-V46 HydrophobicContact CG1-CG2 4.23Å; V46-V48 HydrophobicContact CG1-CG1 4.31Å; V46-C95 HydrophobicContact CG2-CB 4.38Å
47V90.8Very high85.8Confident20 Ų2072.7 Ų72.712%0.12142%0.424CS..EExtended strand (participates in β ladder)trans-110.6110.3-179.7-179.40000109.5E29 V30 N49 E52E29-V47 CarbonylContact C-O 3.57Å; E29-V47 VanDerWaalsContact CA-O 3.32Å; E29-V47 WeakPolarHBondContact CA-O 3.22Å; V30-V47 HydrophobicContact CB-CB 4.29Å; V30-V47 PolarHBondContact N-O 3.31Å; V30-V47 PolarHBondContact O-N 2.89Å; V47-N49 HydrophobicContact CG1-CB 4.16Å; V47-E52 HydrophobicContact CG1-CB 3.85Å; V47-E52 HydrophobicContact CG1-CG 4.42Å
48V91.2Very high86Confident101 Ų10172.9 Ų72.961%0.61242%0.415SS*.  trans-99.12.2177.2-630000113.3E29 V46 R50E29-V48 HydrophobicContact CB-CG1 3.99Å; V46-V48 HydrophobicContact CG1-CG1 4.31Å; V48-R50 PolarHBondContact O-N 3Å
49N91.5Very high86.2Confident80 Ų8073.8 Ų73.843%0.42840%0.4SS..  trans-66.9117-177.1-174.6-46000110.9V47 T51 E52 V53V47-N49 HydrophobicContact CG1-CB 4.16Å; N49-T51 PolarHBondContact O-N 3.45Å; N49-T51 VanDerWaalsContact O-N 3.08Å; N49-T51 WeakPolarHBondContact OD1-CB 3.26Å; N49-T51 PolarHBondContact OD1-N 2.94Å; N49-E52 HydrophobicContact CB-CB 4.25Å; N49-E52 HydrophobicContact CB-CG 4.35Å; N49-E52 PolarHBondContact O-N 3.45Å; N49-V53 VanDerWaalsContact O-CG2 3.24Å; N49-V53 WeakPolarHBondContact O-CG2 3.48Å; N49-V53 PolarHBondContact O-N 3.04Å
50R85.2Confident86.2Confident204 Ų20472.4 Ų72.477%0.7738%0.382SS*.Hα-helixtrans-53.2-34.3-177.3-74.2-176.9133.5177-1.2114.2V48 K54V48-R50 PolarHBondContact O-N 3Å; R50-K54 VanDerWaalsContact O-CB 3.27Å; R50-K54 WeakPolarHBondContact O-CB 3.19Å; R50-K54 WeakPolarHBondContact O-CG 3.12Å; R50-K54 PolarHBondContact O-N 3.49Å; R50-K54 VanDerWaalsContact O-N 3.13Å
51T86.6Confident85.7Confident110 Ų11067.8 Ų67.868%0.67537%0.366SS*.Hα-helixtrans-73.5-43.7-179.8-53.30000110.8N49 S55N49-T51 PolarHBondContact O-N 3.45Å; N49-T51 VanDerWaalsContact O-N 3.08Å; N49-T51 WeakPolarHBondContact OD1-CB 3.26Å; N49-T51 PolarHBondContact OD1-N 2.94Å; T51-S55 VanDerWaalsContact O-CB 3.24Å; T51-S55 WeakPolarHBondContact O-CB 3.38Å; T51-S55 PolarHBondContact O-N 3.49Å
52E84.4Confident84.9Confident81 Ų8171 Ų7138%0.37938%0.383SS..Hα-helixtrans-68.1-43177.1-71.6-171.6-126.400112.3R32 V47 N49 K54 S55 F56R32-E52 IonicContact CZ-OE2 3.94Å; R32-E52 IonicContact NH1-OE2 3.2Å; R32-E52 IonicContact NH2-OE2 3.12Å; R32-E52 PolarHBondContact NH2-OE2 2.64Å; V47-E52 HydrophobicContact CG1-CB 3.85Å; V47-E52 HydrophobicContact CG1-CG 4.42Å; N49-E52 HydrophobicContact CB-CB 4.25Å; N49-E52 HydrophobicContact CB-CG 4.35Å; N49-E52 PolarHBondContact O-N 3.45Å; E52-K54 VanDerWaalsContact C-N 3.34Å; E52-K54 PolarHBondContact O-N 2.87Å; E52-S55 PolarHBondContact O-N 3.23Å; E52-F56 WeakPolarHBondContact O-CB 3.5Å; E52-F56 PolarHBondContact O-N 3.03Å
53V86.8Confident83.6Confident4 Ų470.2 Ų70.22%0.02439%0.388CS..Hα-helixtrans-60.7-44.7177.1177.40000110.5G27 V30 N49 A57G27-V53 WeakPolarHBondContact O-CG1 3.1Å; V30-V53 HydrophobicContact CG2-CB 4.3Å; V30-V53 HydrophobicContact CG2-CG1 4.45Å; V30-V53 HydrophobicContact CG2-CG2 4.02Å; N49-V53 VanDerWaalsContact O-CG2 3.24Å; N49-V53 WeakPolarHBondContact O-CG2 3.48Å; N49-V53 PolarHBondContact O-N 3.04Å; V53-A57 VanDerWaalsContact O-CB 3.3Å; V53-A57 WeakPolarHBondContact O-CB 3.24Å; V53-A57 PolarHBondContact O-N 3.34Å
54K84.3Confident81.8Confident147 Ų14771.5 Ų71.564%0.63939%0.392SS*.Hα-helixtrans-67.3-39.7175.9-75.6178.1179.5-173.10112.7R50 E52 A57 H58R50-K54 VanDerWaalsContact O-CB 3.27Å; R50-K54 WeakPolarHBondContact O-CB 3.19Å; R50-K54 WeakPolarHBondContact O-CG 3.12Å; R50-K54 PolarHBondContact O-N 3.49Å; R50-K54 VanDerWaalsContact O-N 3.13Å; E52-K54 VanDerWaalsContact C-N 3.34Å; E52-K54 PolarHBondContact O-N 2.87Å; K54-A57 PolarHBondContact O-N 3.06Å; K54-H58 VanDerWaalsContact O-CB 3.29Å; K54-H58 WeakPolarHBondContact O-CB 2.92Å; K54-H58 PolarHBondContact O-N 3.34Å
55S86.4Confident79.6Confident78 Ų7878.6 Ų78.655%0.54542%0.424SS..Hα-helixtrans-60.9-46.9176.6-172.10000110.8T51 E52 H58 E59T51-S55 VanDerWaalsContact O-CB 3.24Å; T51-S55 WeakPolarHBondContact O-CB 3.38Å; T51-S55 PolarHBondContact O-N 3.49Å; E52-S55 PolarHBondContact O-N 3.23Å; S55-H58 PolarHBondContact O-N 2.84Å; S55-E59 PolarHBondContact O-N 3.2Å
56F85.4Confident77.1Confident10 Ų1084.7 Ų84.74%0.04445%0.447CS..Hα-helixtrans-65.1-44.4176.9-178.6-107.3000112.3C10 K12 Q23 V30 E52 H58 E59 C60C10-F56 HydrophobicContact CB-CE1 4.19Å; C10-F56 WeakPolarHBondContact SG-CE1 3.43Å; C10-F56 WeakPolarHBondContact SG-CZ 3.08Å; K12-F56 HydrophobicContact CB-CE2 4.05Å; K12-F56 HydrophobicContact CB-CZ 4.12Å; Q23-F56 HydrophobicContact CB-CE2 3.68Å; Q23-F56 HydrophobicContact CB-CZ 3.63Å; Q23-F56 WeakPolarHBondContact O-CZ 2.98Å; V30-F56 HydrophobicContact CG1-CD1 4.07Å; V30-F56 HydrophobicContact CG1-CE1 4.18Å; V30-F56 HydrophobicContact CG1-CG 4.33Å; V30-F56 HydrophobicContact CG2-CB 3.99Å; V30-F56 HydrophobicContact CG2-CD1 3.67Å; V30-F56 HydrophobicContact CG2-CE1 4.44Å; V30-F56 HydrophobicContact CG2-CG 4.02Å; E52-F56 WeakPolarHBondContact O-CB 3.5Å; E52-F56 PolarHBondContact O-N 3.03Å; F56-H58 VanDerWaalsContact C-N 3.28Å; F56-H58 PolarHBondContact O-N 2.78Å; F56-E59 PolarHBondContact O-N 3.29Å; F56-C60 WeakPolarHBondContact O-CB 3.3Å; F56-C60 PolarHBondContact O-N 3.24Å
57A82.3Confident74.8Confident33 Ų3388.3 Ų88.327%0.27345%0.454SS..Hα-helixtrans-61-37.6175.200000112.2V53 K54 C60 S61V53-A57 VanDerWaalsContact O-CB 3.3Å; V53-A57 WeakPolarHBondContact O-CB 3.24Å; V53-A57 PolarHBondContact O-N 3.34Å; K54-A57 PolarHBondContact O-N 3.06Å; A57-C60 WeakPolarHBondContact O-CB 3.45Å; A57-C60 PolarHBondContact O-N 2.9Å; A57-S61 PolarHBondContact O-N 3.42Å
58H81.1Confident72.1Confident114 Ų11492.5 Ų92.553%0.52848%0.484SS..Hα-helixtrans-67.7-45.5175.4-174.7-94.7000111.6K54 S55 F56 C60 S61 L62K54-H58 VanDerWaalsContact O-CB 3.29Å; K54-H58 WeakPolarHBondContact O-CB 2.92Å; K54-H58 PolarHBondContact O-N 3.34Å; S55-H58 PolarHBondContact O-N 2.84Å; F56-H58 VanDerWaalsContact C-N 3.28Å; F56-H58 PolarHBondContact O-N 2.78Å; H58-C60 VanDerWaalsContact C-N 3.26Å; H58-C60 PolarHBondContact O-N 2Å; H58-S61 WeakPolarHBondContact CA-OG 3.12Å; H58-S61 PolarHBondContact O-N 3.47Å; H58-S61 PolarHBondContact O-OG 3.04Å; H58-L62 WeakPolarHBondContact O-CG 3.49Å; H58-L62 PolarHBondContact O-N 3.07Å
59E79.5Confident69.5Low91 Ų9195.9 Ų95.943%0.42549%0.493SS..Hα-helixtrans-56.7-41.9173.8-170.7-177.5173.300111.7K12 S55 F56 S61 L62 G63K12-E59 IonicContact NZ-OE1 4Å; K12-E59 PolarHBondContact NZ-OE1 2.89Å; S55-E59 PolarHBondContact O-N 3.2Å; F56-E59 PolarHBondContact O-N 3.29Å; E59-S61 VanDerWaalsContact C-N 3.34Å; E59-S61 PolarHBondContact O-N 3.48Å; E59-L62 PolarHBondContact O-N 3.17Å; E59-G63 PolarHBondContact O-N 3.39Å
60C76.3Confident66.6Low18 Ų1896.9 Ų96.912%0.12250%0.502CS..Hα-helixtrans-63.1-37.8174-115.80000113.4C10 F56 A57 H58 L62C10-C60 HydrophobicContact CB-CB 3.79Å; C10-C60 WeakPolarHBondContact CB-SG 3.5Å; C10-C60 WeakPolarHBondContact SG-CB 3.19Å; C10-C60 CovalentContact SG-SG 2Å; C10-C60 PolarHBondContact SG-SG 2.64Å; F56-C60 WeakPolarHBondContact O-CB 3.3Å; F56-C60 PolarHBondContact O-N 3.24Å; A57-C60 WeakPolarHBondContact O-CB 3.45Å; A57-C60 PolarHBondContact O-N 2.9Å; H58-C60 VanDerWaalsContact C-N 3.26Å; H58-C60 PolarHBondContact O-N 2Å; C60-L62 VanDerWaalsContact C-N 3.33Å
61S70.3Confident64.3Low52 Ų5292.8 Ų92.836%0.36451%0.505SS..Hα-helixtrans-67.3-34.5176.770.90000112.5A57 H58 E59A57-S61 PolarHBondContact O-N 3.42Å; H58-S61 WeakPolarHBondContact CA-OG 3.12Å; H58-S61 PolarHBondContact O-N 3.47Å; H58-S61 PolarHBondContact O-OG 3.04Å; E59-S61 VanDerWaalsContact C-N 3.34Å; E59-S61 PolarHBondContact O-N 3.48Å
62L67.6Low61.6Low88 Ų8898.3 Ų98.346%0.46151%0.514SS..Hα-helixtrans-75-34.7177.7-65.4177.4000112.6H58 E59 C60 L64 E65H58-L62 WeakPolarHBondContact O-CG 3.49Å; H58-L62 PolarHBondContact O-N 3.07Å; E59-L62 PolarHBondContact O-N 3.17Å; C60-L62 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.45Å; L62-L64 VanDerWaalsContact O-N 3.07Å; L62-E65 PolarHBondContact O-N 2.78Å
63G60.8Low59.4Low50 Ų50103.8 Ų103.852%0.51553%0.531SS..THydrogen-bonded Turntrans-64.7-8.217700000115.2E59E59-G63 PolarHBondContact O-N 3.39Å
64L52Low57Low95 Ų95108.3 Ų108.350%0.49756%0.56SS.*THydrogen-bonded Turntrans-82.2-26.8174.9-75.3169000113.3L62L62-L64 PolarHBondContact O-N 3.45Å; L62-L64 VanDerWaalsContact O-N 3.07Å
65E43.4Very low54.6Low159 Ų159109.6 Ų109.674%0.74357%0.568SS**G310 helixtrans-76.9-28-176.6-76.3-175.4122.300112.7L62 R67L62-E65 PolarHBondContact O-N 2.78Å; E65-R67 PolarHBondContact O-N 2.83Å
66E41.3Very low52.6Low178 Ų178112.2 Ų112.283%0.83257%0.572SS**G310 helixtrans-81.1-8.7-178.2-70.3-169.7157.200114.5
67R42.8Very low50.3Low141 Ų141120.4 Ų120.453%0.53261%0.611SS.*G310 helixtrans-96.94.3-174.3-159.568.9-166.1-149.4-2.2114.7M1 E65 E69M1-R67 VanDerWaalsContact CE-CD 3.46Å; M1-R67 HydrophobicContact CE-CG 3.4Å; M1-R67 VanDerWaalsContact CE-CZ 3.44Å; E65-R67 PolarHBondContact O-N 2.83Å; R67-E69 PolarHBondContact O-N 2.75Å
68S35.2Very low48.1Very low108 Ų108127.4 Ų127.476%0.75564%0.638SS**G310 helixtrans-65.8-15.2177.1-174.90000113.9
69E35.7Very low46.4Very low173 Ų173128.9 Ų128.981%0.80865%0.645SS**G310 helixtrans-136.544.1-170.1-65-166.1157.100115.2R67R67-E69 PolarHBondContact O-N 2.75Å
70T30.7Very low44.9Very low101 Ų101133.3 Ų133.362%0.6267%0.665SS**  trans-159.393.2151.4-12.50000112.4
71S37Very low43.4Very low118 Ų118140.7 Ų140.783%0.82570%0.698SS**  trans-82.8110163.2179.80000109.2
72R30.9Very low42.5Very low226 Ų226143.9 Ų143.985%0.85371%0.707SS**  trans-144.4110.1148.7-72.8-165-172.1152.34.6108.9
73R38.2Very low42.1Very low195 Ų195141.2 Ų141.274%0.73670%0.698SS**  trans-72.3146.7158.4-149.6-178.1-174.3123.5-4.7107.6E76R73-E76 IonicContact CZ-OE1 2.7Å; R73-E76 IonicContact NE-OE1 3.03Å; R73-E76 IonicContact NH2-OE1 3.56Å; R73-E76 PolarHBondContact NH2-OE1 3.19Å
74P36.3Very low42.5Very low99 Ų99145.4 Ų145.464%0.64370%0.698SS**  -139.3148.7110.217.84000114.4
75E34.3Very low43.4Very low174 Ų174141.9 Ų141.981%0.81368%0.679SS**  trans64.284.6140.5-61.7161.5-157.600115.6
76E42.8Very low44.9Very low133 Ų133134.9 Ų134.962%0.62165%0.648SS**  34.483.880.4-77.2176.5-146.600113.5R73R73-E76 IonicContact CZ-OE1 2.7Å; R73-E76 IonicContact NE-OE1 3.03Å; R73-E76 IonicContact NH2-OE1 3.56Å; R73-E76 PolarHBondContact NH2-OE1 3.19Å
77E37.1Very low46.7Very low183 Ų183131.8 Ų131.886%0.85563%0.629SS**SBendtrans159.354.4136.5-84175.2-17100111.3
78E36.3Very low48.5Very low180 Ų180125.5 Ų125.584%0.84161%0.606SS**SBendtrans-163.98.7163.7-112.7165.7-156.300113.7
79E46.3Very low50.7Low145 Ų145125.3 Ų125.368%0.67860%0.596SS**THydrogen-bonded Turntrans-87.8-9-162.7-108.6-178.3155.900116.3
80E46.5Very low52.8Low183 Ų183119.3 Ų119.386%0.85557%0.568SS**THydrogen-bonded Turntrans-80.5-29.6-171.2-95.5-174.8154.700114.5
81E45.7Very low55.2Low173 Ų173114.5 Ų114.581%0.80854%0.539SS*.THydrogen-bonded Turntrans-85.6-30.8179.3-132.6-176.1155.700112.1A83E81-A83 VanDerWaalsContact C-N 3.27Å; E81-A83 PolarHBondContact O-N 2.87Å
82E51.5Low57.5Low120 Ų120113.3 Ų113.356%0.56152%0.516SS*.THydrogen-bonded Turntrans-80-5.2-176.8-160.7159.6-172.700113.5Y22Y22-E82 WeakPolarHBondContact CE1-O 3.48Å; Y22-E82 VanDerWaalsContact OH-CG 3.29Å; Y22-E82 WeakPolarHBondContact OH-CG 3.14Å; Y22-E82 PolarHBondContact OH-O 2.65Å
83A59.2Low60.1Low31 Ų31108.2 Ų108.226%0.25651%0.505SS..THydrogen-bonded Turntrans-106.81.4179.100000114.7E81 F85 A86E81-A83 VanDerWaalsContact C-N 3.27Å; E81-A83 PolarHBondContact O-N 2.87Å; A83-F85 VanDerWaalsContact C-N 3.34Å; A83-F85 PolarHBondContact O-N 3.06Å; A83-A86 HydrophobicContact CB-CB 4.42Å; A83-A86 WeakPolarHBondContact O-CA 3.42Å; A83-A86 VanDerWaalsContact O-CB 3.26Å; A83-A86 WeakPolarHBondContact O-CB 3.38Å; A83-A86 PolarHBondContact O-N 3.26Å
84R68.4Low62.2Low138 Ų13899.8 Ų99.852%0.52148%0.477SS..G310 helixtrans-55.5-49.8-179174.1179.3-76.3-167.72.1112A86 R87 E90R84-A86 PolarHBondContact O-N 2.96Å; R84-R87 PolarHBondContact O-N 2.83Å; R84-R87 VanDerWaalsContact O-N 3.17Å; R84-E90 WeakPolarHBondContact CA-OE2 3.33Å; R84-E90 HydrophobicContact CG-CB 4.13Å; R84-E90 VanDerWaalsContact CG-OE2 3.27Å; R84-E90 WeakPolarHBondContact CG-OE2 2.9Å; R84-E90 WeakPolarHBondContact O-CB 3.32Å; R84-E90 VanDerWaalsContact O-OE2 3.06Å
85F72.5Confident64.5Low21 Ų2195.1 Ų95.19%0.09245%0.447CS..G310 helixtrans-77.2-4.9179.6-60.5-73.4000113.7Y22 V24 T33 V35 L41 A83 R87 A94Y22-F85 WeakPolarHBondContact CB-O 3.27Å; Y22-F85 HydrophobicContact CD1-CB 4.18Å; Y22-F85 HydrophobicContact CD2-CB 3.85Å; Y22-F85 HydrophobicContact CE2-CB 4.35Å; Y22-F85 HydrophobicContact CG-CB 3.78Å; V24-F85 WeakPolarHBondContact CG1-O 3.35Å; T33-F85 HydrophobicContact CG2-CD1 3.98Å; V35-F85 HydrophobicContact CB-CD2 4.44Å; V35-F85 HydrophobicContact CG1-CD2 4.27Å; V35-F85 HydrophobicContact CG1-CE2 4.08Å; V35-F85 HydrophobicContact CG2-CB 4.23Å; V35-F85 HydrophobicContact CG2-CD2 3.32Å; V35-F85 HydrophobicContact CG2-CE2 3.69Å; V35-F85 HydrophobicContact CG2-CG 3.76Å; V35-F85 HydrophobicContact CG2-CZ 4.43Å; L41-F85 HydrophobicContact CB-CE1 4.31Å; L41-F85 HydrophobicContact CB-CZ 4.03Å; L41-F85 HydrophobicContact CD1-CD1 4.15Å; L41-F85 HydrophobicContact CD1-CE1 3.82Å; L41-F85 HydrophobicContact CD1-CZ 4.18Å; L41-F85 HydrophobicContact CD2-CE1 4.04Å; L41-F85 HydrophobicContact CG-CE1 4.3Å; L41-F85 HydrophobicContact CG-CZ 4.49Å; A83-F85 VanDerWaalsContact C-N 3.34Å; A83-F85 PolarHBondContact O-N 3.06Å; F85-R87 VanDerWaalsContact C-N 3.33Å; F85-A94 HydrophobicContact CD1-CB 4.46Å; F85-A94 HydrophobicContact CE1-CB 3.81Å
86A73.7Confident66.9Low13 Ų1390 Ų9011%0.10743%0.429CS..G310 helixtrans-81.4-13.517000000112.1F9 A11 Y22 V24 A83 R84F9-A86 WeakPolarHBondContact CE2-O 3.32Å; F9-A86 WeakPolarHBondContact CZ-O 3.38Å; A11-A86 WeakPolarHBondContact CB-O 2.94Å; Y22-A86 HydrophobicContact CD1-CB 3.93Å; Y22-A86 HydrophobicContact CE1-CB 4.27Å; V24-A86 VanDerWaalsContact CG1-C 3.5Å; V24-A86 WeakPolarHBondContact CG1-O 3.39Å; A83-A86 HydrophobicContact CB-CB 4.42Å; A83-A86 WeakPolarHBondContact O-CA 3.42Å; A83-A86 VanDerWaalsContact O-CB 3.26Å; A83-A86 WeakPolarHBondContact O-CB 3.38Å; A83-A86 PolarHBondContact O-N 3.26Å; R84-A86 PolarHBondContact O-N 2.96Å
87R79.6Confident68.8Low112 Ų11289.8 Ų89.842%0.42343%0.427SS..SBendtrans-96.9135.8178.8-66.9-171.6-77.2-150.5-1.7112.1R84 F85 D89 E90 A91R84-R87 PolarHBondContact O-N 2.83Å; R84-R87 VanDerWaalsContact O-N 3.17Å; F85-R87 VanDerWaalsContact C-N 3.33Å; R87-D89 WeakPolarHBondContact CB-OD1 3.36Å; R87-E90 HydrophobicContact CB-CB 4.22Å; R87-E90 HydrophobicContact CB-CG 4.27Å; R87-E90 VanDerWaalsContact CZ-CD 3.47Å; R87-E90 IonicContact CZ-OE1 2.98Å; R87-E90 VanDerWaalsContact CZ-OE1 3.23Å; R87-E90 IonicContact CZ-OE2 3.82Å; R87-E90 IonicContact NE-OE1 3.89Å; R87-E90 PolarHBondContact NE-OE1 2.78Å; R87-E90 IonicContact NE-OE2 2.6Å; R87-E90 PolarHBondContact NE-OE2 2.86Å; R87-E90 IonicContact NH2-OE1 3.99Å; R87-E90 PolarHBondContact NH2-OE1 2.98Å; R87-E90 IonicContact NH2-OE2 3.62Å; R87-E90 PolarHBondContact NH2-OE2 2.96Å; R87-E90 PolarHBondContact O-N 3.07Å; R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 2.82Å
88M81.2Confident70.9Confident10 Ų1083.1 Ų83.15%0.04940%0.396CS..Hα-helixtrans-71.6-41.2-171.1-94-60.2-74.400112.2F9 V24 S25 D26 E29 I31 R92F9-M88 HydrophobicContact CD2-CB 3.8Å; F9-M88 HydrophobicContact CD2-CG 3.46Å; F9-M88 VanDerWaalsContact CD2-CG 3.46Å; F9-M88 HydrophobicContact CE2-CB 3.83Å; F9-M88 HydrophobicContact CE2-CG 3.65Å; V24-M88 HydrophobicContact CB-CG 3.98Å; V24-M88 HydrophobicContact CB-SD 3.5Å; V24-M88 WeakPolarHBondContact CB-SD 2.93Å; V24-M88 HydrophobicContact CG2-CG 4.28Å; V24-M88 HydrophobicContact CG2-SD 3.38Å; V24-M88 WeakPolarHBondContact CG2-SD 3.34Å; S25-M88 VanDerWaalsContact CA-SD 3.57Å; S25-M88 PolarHBondContact N-SD 2.03Å; D26-M88 HydrophobicContact CB-CE 3.84Å; D26-M88 HydrophobicContact CB-CG 4.41Å; E29-M88 HydrophobicContact CG-CE 4.23Å; I31-M88 HydrophobicContact CD1-CE 4.25Å; I31-M88 HydrophobicContact CG1-CE 4.41Å; M88-R92 HydrophobicContact CE-CG 4.5Å; M88-R92 WeakPolarHBondContact O-CB 3.26Å; M88-R92 WeakPolarHBondContact O-CG 3.35Å; M88-R92 PolarHBondContact O-N 3.32Å
89D80.3Confident73Confident103 Ų10379.9 Ų79.955%0.55138%0.381SS*.Hα-helixtrans-61.3-43.3175.453.8-33.5000111.6R87 L93R87-D89 WeakPolarHBondContact CB-OD1 3.36Å; D89-L93 WeakPolarHBondContact O-CG 3.35Å; D89-L93 PolarHBondContact O-N 3.01Å
90E80.2Confident74.3Confident48 Ų4878.6 Ų78.622%0.22438%0.375CS..Hα-helixtrans-73.1-41.1177.9-64.8-173.6157.100112.3R84 R87 R92 L93 A94R84-E90 WeakPolarHBondContact CA-OE2 3.33Å; R84-E90 HydrophobicContact CG-CB 4.13Å; R84-E90 VanDerWaalsContact CG-OE2 3.27Å; R84-E90 WeakPolarHBondContact CG-OE2 2.9Å; R84-E90 WeakPolarHBondContact O-CB 3.32Å; R84-E90 VanDerWaalsContact O-OE2 3.06Å; R87-E90 HydrophobicContact CB-CB 4.22Å; R87-E90 HydrophobicContact CB-CG 4.27Å; R87-E90 VanDerWaalsContact CZ-CD 3.47Å; R87-E90 IonicContact CZ-OE1 2.98Å; R87-E90 VanDerWaalsContact CZ-OE1 3.23Å; R87-E90 IonicContact CZ-OE2 3.82Å; R87-E90 IonicContact NE-OE1 3.89Å; R87-E90 PolarHBondContact NE-OE1 2.78Å; R87-E90 IonicContact NE-OE2 2.6Å; R87-E90 PolarHBondContact NE-OE2 2.86Å; R87-E90 IonicContact NH2-OE1 3.99Å; R87-E90 PolarHBondContact NH2-OE1 2.98Å; R87-E90 IonicContact NH2-OE2 3.62Å; R87-E90 PolarHBondContact NH2-OE2 2.96Å; R87-E90 PolarHBondContact O-N 3.07Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 2Å; E90-L93 PolarHBondContact O-N 2.75Å; E90-A94 VanDerWaalsContact O-CB 3.3Å; E90-A94 WeakPolarHBondContact O-CB 2.99Å; E90-A94 PolarHBondContact O-N 2.83Å
91A80.9Confident75.5Confident0 Ų072.6 Ų72.60%035%0.353CS..Hα-helixtrans-63.3-36.1174.500000112.1V24 I31 R87 L93 C95V24-A91 HydrophobicContact CG2-CB 3.58Å; I31-A91 HydrophobicContact CB-CB 4.35Å; I31-A91 HydrophobicContact CD1-CB 4.29Å; I31-A91 HydrophobicContact CG2-CB 4.03Å; R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 2.82Å; A91-L93 VanDerWaalsContact C-N 3.33Å; A91-L93 PolarHBondContact O-N 3.49Å; A91-C95 WeakPolarHBondContact O-CB 3.32Å; A91-C95 PolarHBondContact O-N 3.17Å
92R86.5Confident76.7Confident93 Ų9373.1 Ų73.135%0.35135%0.347SS..Hα-helixtrans-64.2-33.5174.6-85.7178.6163.7157.81.3113.6D26 E29 I31 M88 E90 P96D26-R92 IonicContact OD1-NH2 3.25Å; D26-R92 PolarHBondContact OD1-NH2 3.31Å; D26-R92 IonicContact OD2-CZ 3.11Å; D26-R92 IonicContact OD2-NH1 3.18Å; D26-R92 PolarHBondContact OD2-NH1 2.7Å; D26-R92 IonicContact OD2-NH2 2.64Å; D26-R92 PolarHBondContact OD2-NH2 2.83Å; E29-R92 IonicContact OE1-CZ 3.17Å; E29-R92 IonicContact OE1-NE 2.73Å; E29-R92 PolarHBondContact OE1-NE 3.06Å; E29-R92 IonicContact OE1-NH2 2.72Å; E29-R92 PolarHBondContact OE1-NH2 2.79Å; I31-R92 HydrophobicContact CD1-CB 4.14Å; I31-R92 HydrophobicContact CD1-CG 3.36Å; M88-R92 HydrophobicContact CE-CG 4.5Å; M88-R92 WeakPolarHBondContact O-CB 3.26Å; M88-R92 WeakPolarHBondContact O-CG 3.35Å; M88-R92 PolarHBondContact O-N 3.32Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 2Å; R92-P96 WeakPolarHBondContact O-CD 3.26Å; R92-P96 WeakPolarHBondContact O-CG 3.41Å
93L84.1Confident76.9Confident119 Ų11970.8 Ų70.862%0.62335%0.349SS*.Hα-helixtrans-82.9-41177-68.2172.2000111.6D89 E90 A91 P96 E97D89-L93 WeakPolarHBondContact O-CG 3.35Å; D89-L93 PolarHBondContact O-N 3.01Å; E90-L93 PolarHBondContact O-N 2.75Å; A91-L93 VanDerWaalsContact C-N 3.33Å; A91-L93 PolarHBondContact O-N 3.49Å; L93-P96 WeakPolarHBondContact O-CD 3.45Å; L93-E97 WeakPolarHBondContact O-CG 3.42Å; L93-E97 PolarHBondContact O-N 2.9Å
94A82.4Confident76.6Confident17 Ų1775.7 Ų75.714%0.1437%0.366CS..Hα-helixtrans-73.4-30.9-175.500000113.7F85 E90 F98F85-A94 HydrophobicContact CD1-CB 4.46Å; F85-A94 HydrophobicContact CE1-CB 3.81Å; E90-A94 VanDerWaalsContact O-CB 3.3Å; E90-A94 WeakPolarHBondContact O-CB 2.99Å; E90-A94 PolarHBondContact O-N 2.83Å; A94-F98 VanDerWaalsContact O-CB 3.26Å; A94-F98 WeakPolarHBondContact O-CB 3.38Å; A94-F98 PolarHBondContact O-N 3.03Å
95C85.2Confident75.7Confident1 Ų173.8 Ų73.81%0.00737%0.374CS..Hα-helixtrans-65.3-50.7-178.1-154.70000112.7I31 C44 V46 A91 F98 E99I31-C95 HydrophobicContact CG2-CB 4.31Å; C44-C95 HydrophobicContact CB-CB 4Å; C44-C95 WeakPolarHBondContact CB-SG 3.42Å; C44-C95 VanDerWaalsContact SG-CA 3.56Å; C44-C95 WeakPolarHBondContact SG-CB 3.41Å; C44-C95 CovalentContact SG-SG 2Å; C44-C95 PolarHBondContact SG-SG 3.26Å; V46-C95 HydrophobicContact CG2-CB 4.38Å; A91-C95 WeakPolarHBondContact O-CB 3.32Å; A91-C95 PolarHBondContact O-N 3.17Å; C95-F98 PolarHBondContact O-N 2.79Å; C95-E99 PolarHBondContact O-N 3.35Å
96P83.6Confident74.5Confident67 Ų6775.8 Ų75.844%0.43540%0.4SS..Hα-helixtrans-67.1-39177.2-20.735.4000112.7R92 L93 F98 E99 E100R92-P96 WeakPolarHBondContact O-CD 3.26Å; R92-P96 WeakPolarHBondContact O-CG 3.41Å; L93-P96 WeakPolarHBondContact O-CD 3.45Å; P96-F98 PolarHBondContact O-N 2.96Å; P96-E99 PolarHBondContact O-N 3.35Å; P96-E100 WeakPolarHBondContact O-CB 3.26Å; P96-E100 PolarHBondContact O-N 3.31Å
97E83.9Confident73.4Confident128 Ų12877.6 Ų77.660%0.59842%0.42SS*.Hα-helixtrans-59.5-36.5174.9-74.8179.3174.500111.9L93 S101L93-E97 WeakPolarHBondContact O-CG 3.42Å; L93-E97 PolarHBondContact O-N 2.9Å; E97-S101 VanDerWaalsContact O-CB 3.25Å; E97-S101 WeakPolarHBondContact O-CB 3.4Å; E97-S101 PolarHBondContact O-N 2.87Å; E97-S101 PolarHBondContact O-OG 3.46Å
98F81.2Confident71.4Confident44 Ų4482 Ų8219%0.19345%0.446CS..Hα-helixtrans-70.4-40.6175-176.9-101.5000112.8L41 V42 C44 A94 C95 P96 S101 R102L41-F98 HydrophobicContact CB-CD2 4.11Å; L41-F98 HydrophobicContact CB-CE2 4.36Å; L41-F98 HydrophobicContact CD2-CB 3.55Å; L41-F98 HydrophobicContact CD2-CD1 4.19Å; L41-F98 HydrophobicContact CD2-CD2 3.86Å; L41-F98 HydrophobicContact CD2-CG 3.59Å; L41-F98 HydrophobicContact CG-CD2 4.05Å; L41-F98 HydrophobicContact CG-CE2 4.4Å; L41-F98 HydrophobicContact CG-CG 4.11Å; L41-F98 WeakPolarHBondContact O-CE2 3.42Å; V42-F98 VanDerWaalsContact O-CZ 3.26Å; V42-F98 WeakPolarHBondContact O-CZ 3.45Å; C44-F98 HydrophobicContact CB-CD1 4.33Å; A94-F98 VanDerWaalsContact O-CB 3.26Å; A94-F98 WeakPolarHBondContact O-CB 3.38Å; A94-F98 PolarHBondContact O-N 3.03Å; C95-F98 PolarHBondContact O-N 2.79Å; P96-F98 PolarHBondContact O-N 2.96Å; F98-S101 WeakPolarHBondContact CA-OG 3.31Å; F98-S101 PolarHBondContact O-OG 2.91Å; F98-S101 VanDerWaalsContact O-OG 3.1Å; F98-R102 WeakPolarHBondContact O-CB 3.37Å; F98-R102 PolarHBondContact O-N 3.27Å
99E79.6Confident69.4Low112 Ų11289 Ų8952%0.52348%0.483SS..Hα-helixtrans-65.7-39174-71-172.616300111.8C95 P96 R102 A103C95-E99 PolarHBondContact O-N 3.35Å; P96-E99 PolarHBondContact O-N 3.35Å; E99-R102 PolarHBondContact O-N 3.16Å; E99-A103 WeakPolarHBondContact O-CB 3.08Å; E99-A103 PolarHBondContact O-N 2.93Å
100E75.1Confident67.5Low118 Ų11891.7 Ų91.755%0.55149%0.493SS*.Hα-helixtrans-74-39.6-179.8-171.3169.4-158.200112.6P96 R102 A103 H104P96-E100 WeakPolarHBondContact O-CB 3.26Å; P96-E100 PolarHBondContact O-N 3.31Å; E100-R102 VanDerWaalsContact C-N 3.33Å; E100-A103 CarbonylContact O-C 3.55Å; E100-A103 WeakPolarHBondContact O-CB 3.48Å; E100-A103 PolarHBondContact O-N 3.44Å; E100-A103 VanDerWaalsContact O-N 3.16Å; E100-H104 PolarHBondContact O-N 2.86Å; E100-H104 PolarHBondContact O-ND1 3.1Å; E100-H104 IonicContact OE1-CE1 2.67Å
101S70.1Confident65.9Low57 Ų5797.3 Ų97.340%0.39952%0.519SS..Hα-helixtrans-67.2-33.9171.956.30000111.7E97 F98 A103 H104 S105E97-S101 VanDerWaalsContact O-CB 3.25Å; E97-S101 WeakPolarHBondContact O-CB 3.4Å; E97-S101 PolarHBondContact O-N 2.87Å; E97-S101 PolarHBondContact O-OG 3.46Å; F98-S101 WeakPolarHBondContact CA-OG 3.31Å; F98-S101 PolarHBondContact O-OG 2.91Å; F98-S101 VanDerWaalsContact O-OG 3.1Å; S101-A103 VanDerWaalsContact C-N 3.31Å; S101-H104 PolarHBondContact O-N 2.63Å; S101-S105 VanDerWaalsContact O-CB 3.26Å; S101-S105 WeakPolarHBondContact O-CB 3.22Å; S101-S105 PolarHBondContact O-N 3.47Å; S101-S105 PolarHBondContact O-OG 2.83Å
102R70.8Confident63.8Low183 Ų183100.5 Ų100.569%0.69155%0.552SS**Hα-helixtrans-66.3-33.7169.6-171.4-178.2176.3103.2-0.9112F98 E99 E100F98-R102 WeakPolarHBondContact O-CB 3.37Å; F98-R102 PolarHBondContact O-N 3.27Å; E99-R102 PolarHBondContact O-N 3.16Å; E100-R102 VanDerWaalsContact C-N 3.33Å
103A56.9Low61.9Low72 Ų72106.9 Ų106.960%0.59558%0.582SS**Hα-helixtrans-72.1-40.4174.500000112.6E99 E100 S101 G106E99-A103 WeakPolarHBondContact O-CB 3.08Å; E99-A103 PolarHBondContact O-N 2.93Å; E100-A103 CarbonylContact O-C 3.55Å; E100-A103 WeakPolarHBondContact O-CB 3.48Å; E100-A103 PolarHBondContact O-N 3.44Å; E100-A103 VanDerWaalsContact O-N 3.16Å; S101-A103 VanDerWaalsContact C-N 3.31Å; A103-G106 PolarHBondContact O-N 2.99Å
104H53.4Low59.7Low133 Ų133103.9 Ų103.962%0.61658%0.581SS**Hα-helixtrans-78.4-27.6178.6-77.281.7000113.7E100 S101 G106 G107E100-H104 PolarHBondContact O-N 2.86Å; E100-H104 PolarHBondContact O-ND1 3.1Å; E100-H104 IonicContact OE1-CE1 2.67Å; S101-H104 PolarHBondContact O-N 2.63Å; H104-G106 PolarHBondContact O-N 2.87Å; H104-G106 VanDerWaalsContact O-N 3.09Å; H104-G107 PolarHBondContact O-N 2.88Å
105S48.5Very low58.1Low99 Ų99111.6 Ų111.669%0.69262%0.619SS**THydrogen-bonded Turntrans-68.1-3.2168.4-52.70000112.7S101S101-S105 VanDerWaalsContact O-CB 3.26Å; S101-S105 WeakPolarHBondContact O-CB 3.22Å; S101-S105 PolarHBondContact O-N 3.47Å; S101-S105 PolarHBondContact O-OG 2.83Å
106G47.2Very low56.3Low62 Ų62121.2 Ų121.264%0.63966%0.655SS**THydrogen-bonded Turntrans-82.4-3.3171.900000114.7A103 H104A103-G106 PolarHBondContact O-N 2.99Å; H104-G106 PolarHBondContact O-N 2.87Å; H104-G106 VanDerWaalsContact O-N 3.09Å
107G50.3Low54.8Low51 Ų51129.7 Ų129.753%0.52668%0.678SS.*SBendtrans-160.494.2178.900000113.5H104H104-G107 PolarHBondContact O-N 2.88Å
108E37.4Very low53.4Low204 Ų204127.1 Ų127.195%0.95367%0.674SS**  trans179121136.7-97.3168.8-173.600108.4
109D40Very low52.1Low157 Ų157133.3 Ų133.384%0.8470%0.701SS**  trans-98.2113.5-174.7-164.94.1000107.9
110E39.9Very low51Low160 Ų160138 Ų13875%0.74871%0.713SS**  trans-146.7105.1151.4-87.8-125.9116.100111
111Q47.4Very low50.2Low166 Ų166133.1 Ų133.178%0.77670%0.695SS**  trans57.371.4146.8-71.4147.546.400117.3
112G35.7Very low50.5Low68 Ų68133.8 Ų133.870%0.70169%0.691SS**  trans-137.7117.9150.300000109.1G114G112-G114 PolarHBondContact O-N 2.88Å
113K46.2Very low51.4Low226 Ų226125.8 Ų125.898%0.98366%0.663SS**  trans-66.568.7168.2-72.8-177.9176.9-179.30110
114G39.6Very low53Low57 Ų57124.1 Ų124.159%0.58864%0.641SS**  trans-99.4117154.900000105.9G112 R116G112-G114 PolarHBondContact O-N 2.88Å; G114-R116 VanDerWaalsContact C-N 3.26Å; G114-R116 PolarHBondContact O-N 2.83Å
115L47.9Very low54.8Low179 Ų179122.2 Ų122.294%0.93764%0.641SS**  trans-55.698166.3-74.4151.6000106.6R117L115-R117 PolarHBondContact O-N 2.88Å
116R47.9Very low56.8Low202 Ų202118.5 Ų118.576%0.76262%0.618SS**  trans-50.4116.8161.5-69.6-174.992-156.77.8103.2G114 S118G114-R116 VanDerWaalsContact C-N 3.26Å; G114-R116 PolarHBondContact O-N 2.83Å; R116-S118 PolarHBondContact O-N 2.9Å
117R51.6Low59Low246 Ų246115.7 Ų115.793%0.92859%0.589SS**  trans-62.892.4174.1-173.9176.7-174143.1-2.2104.3L115 K119L115-R117 PolarHBondContact O-N 2.88Å; R117-K119 PolarHBondContact O-N 2.6Å
118S53.9Low61.1Low73 Ų73114.7 Ų114.751%0.5157%0.571SS.*  trans-45.1120.6167.3-170.20000103.5R116 R120R116-S118 PolarHBondContact O-N 2.9Å; S118-R120 PolarHBondContact O-N 2.68Å
119K54.4Low63.9Low174 Ų174105.4 Ų105.476%0.75753%0.527SS*.  trans-53.3100.7164.3-78173.6177.8170.70103.4R117 G121 M135R117-K119 PolarHBondContact O-N 2.6Å; K119-G121 PolarHBondContact O-N 3.12Å; K119-M135 WeakPolarHBondContact O-CE 3.31Å
120R56.3Low66.5Low210 Ų21098.2 Ų98.279%0.79249%0.489SS*.  trans-76.773.1174.3-70.6-175-170.4174.92.1103.9S118S118-R120 PolarHBondContact O-N 2.68Å
121G59.2Low68.8Low16 Ų1692 Ų9217%0.16547%0.468CS..  trans-57.9147.3160.400000106.8K119 T123 M135K119-G121 PolarHBondContact O-N 3.12Å; G121-T123 PolarHBondContact O-N 2.84Å; G121-M135 VanDerWaalsContact CA-CG 3.41Å
122F76.1Confident70.5Confident71 Ų7185.9 Ų85.931%0.31145%0.446SS..EExtended strand (participates in β ladder)trans-93.692.1171.2-85.7-91.5000106.4G131 A132 V306 L307 V310F122-G131 VanDerWaalsContact O-CA 3.23Å; F122-G131 WeakPolarHBondContact O-CA 3.46Å; F122-A132 PolarHBondContact O-N 3.2Å; F122-A132 VanDerWaalsContact O-N 3.14Å; F122-V306 HydrophobicContact CD1-CG1 3.23Å; F122-V306 HydrophobicContact CE1-CG1 3.09Å; F122-V306 HydrophobicContact CG-CG1 4.44Å; F122-V306 HydrophobicContact CZ-CG1 4.25Å; F122-L307 HydrophobicContact CB-CD2 3.53Å; F122-L307 WeakPolarHBondContact O-CD2 3.17Å; F122-V310 HydrophobicContact CD1-CG2 4.39Å; F122-V310 HydrophobicContact CD2-CB 3.79Å; F122-V310 HydrophobicContact CD2-CG1 3.53Å; F122-V310 HydrophobicContact CD2-CG2 3.57Å; F122-V310 HydrophobicContact CE1-CG2 4.09Å; F122-V310 HydrophobicContact CE2-CB 3.87Å; F122-V310 HydrophobicContact CE2-CG1 3.61Å; F122-V310 HydrophobicContact CE2-CG2 3.2Å; F122-V310 HydrophobicContact CG-CB 4.41Å; F122-V310 HydrophobicContact CG-CG2 4.11Å; F122-V310 HydrophobicContact CZ-CG2 3.46Å; F122-V310 VanDerWaalsContact CZ-CG2 3.46Å
123T89.7Confident72.8Confident16 Ų1684.5 Ų84.510%0.09843%0.432CS..EExtended strand (participates in β ladder)trans-109.7156.2172.758.60000108.6G121 T127 L128 C130 M135G121-T123 PolarHBondContact O-N 2.84Å; T123-T127 WeakPolarHBondContact CB-O 3.42Å; T123-T127 PolarHBondContact OG1-O 2.76Å; T123-L128 WeakPolarHBondContact CG2-O 3.43Å; T123-C130 CarbonylContact C-O 3.58Å; T123-C130 VanDerWaalsContact CA-O 3.3Å; T123-C130 WeakPolarHBondContact CA-O 3.41Å; T123-M135 HydrophobicContact CG2-CB 4.46Å; T123-M135 HydrophobicContact CG2-CG 3.95Å; T123-M135 HydrophobicContact CG2-SD 4.37Å; T123-M135 PolarHBondContact OG1-SD 3.3Å; T123-M135 VanDerWaalsContact OG1-SD 3.38Å
124Y91.4Very high74.7Confident36 Ų3676.8 Ų76.814%0.14140%0.401CS..  trans-56.9132.3174.9177.9-97.2000108.9G126 T127 C130 F145 V202 V203 F303Y124-G126 PolarHBondContact O-N 2.87Å; Y124-T127 WeakPolarHBondContact CB-OG1 3.46Å; Y124-T127 HydrophobicContact CD1-CG2 3.89Å; Y124-T127 PolarHBondContact N-OG1 3.25Å; Y124-T127 WeakPolarHBondContact O-CA 3.29Å; Y124-T127 WeakPolarHBondContact O-CB 3.28Å; Y124-T127 PolarHBondContact O-N 3.43Å; Y124-T127 PolarHBondContact O-OG1 3.08Å; Y124-C130 PolarHBondContact N-O 3.13Å; Y124-F145 HydrophobicContact CD1-CD2 4.31Å; Y124-F145 AromaticContact CE1-CD2 3.94Å; Y124-F145 HydrophobicContact CE1-CD2 3.94Å; Y124-F145 AromaticContact CE1-CE2 3.9Å; Y124-F145 HydrophobicContact CE1-CE2 3.9Å; Y124-V202 HydrophobicContact CD2-CG1 4.28Å; Y124-V202 HydrophobicContact CE2-CB 4.02Å; Y124-V202 HydrophobicContact CE2-CG1 3.61Å; Y124-V203 HydrophobicContact CD1-CG2 4.05Å; Y124-V203 HydrophobicContact CD2-CG2 4.13Å; Y124-V203 HydrophobicContact CG-CG2 3.76Å; Y124-F303 VanDerWaalsContact CA-CE2 3.44Å; Y124-F303 HydrophobicContact CD2-CD2 4.3Å; Y124-F303 HydrophobicContact CD2-CE2 4.49Å; Y124-F303 HydrophobicContact CD2-CG 4.43Å
125P91.1Very high77Confident93 Ų9376.5 Ų76.560%0.60439%0.385SS*.THydrogen-bonded Turntrans-52.7133.1-177.2-27.534.7000111.9T127 F145P125-T127 VanDerWaalsContact C-N 3.31Å; P125-F145 WeakPolarHBondContact O-CD2 3.07Å; P125-F145 VanDerWaalsContact O-CE2 3.24Å; P125-F145 WeakPolarHBondContact O-CE2 3.49Å
126G90.3Very high78.9Confident21 Ų2168.8 Ų68.822%0.21635%0.347CS..THydrogen-bonded Turntrans81.54.8-174.100000114.5Y124 G143 D144 F145Y124-G126 PolarHBondContact O-N 2.87Å; G126-G143 CarbonylContact O-C 3.5Å; G126-G143 WeakPolarHBondContact O-CA 3.36Å; G126-D144 PolarHBondContact O-N 3.34Å; G126-F145 PolarHBondContact O-N 3.31Å
127T93.6Very high80.8Confident4 Ų465 Ų653%0.02534%0.342CS..  trans-126.2154.2172.169.30000110.3T123 Y124 P125 C130 F145 D149T123-T127 WeakPolarHBondContact CB-O 3.42Å; T123-T127 PolarHBondContact OG1-O 2.76Å; Y124-T127 WeakPolarHBondContact CB-OG1 3.46Å; Y124-T127 HydrophobicContact CD1-CG2 3.89Å; Y124-T127 PolarHBondContact N-OG1 3.25Å; Y124-T127 WeakPolarHBondContact O-CA 3.29Å; Y124-T127 WeakPolarHBondContact O-CB 3.28Å; Y124-T127 PolarHBondContact O-N 3.43Å; Y124-T127 PolarHBondContact O-OG1 3.08Å; P125-T127 VanDerWaalsContact C-N 3.31Å; T127-C130 HydrophobicContact CG2-CB 4.36Å; T127-C130 WeakPolarHBondContact OG1-CB 3.5Å; T127-F145 HydrophobicContact CG2-CB 3.96Å; T127-F145 HydrophobicContact CG2-CD2 4.22Å; T127-D149 VanDerWaalsContact CB-OD1 3.26Å; T127-D149 WeakPolarHBondContact CB-OD1 3.05Å; T127-D149 HydrophobicContact CG2-CB 4.08Å
128L94.3Very high82.6Confident30 Ų3057.4 Ų57.416%0.15732%0.32CS..SBendtrans-110.3-12.9178.7-60.2178000113.1T123 N134 M135 A136 Q141 D149T123-L128 WeakPolarHBondContact CG2-O 3.43Å; L128-N134 CarbonylContact O-C 3.52Å; L128-N134 WeakPolarHBondContact O-CA 3.26Å; L128-N134 WeakPolarHBondContact O-CB 3.5Å; L128-M135 HydrophobicContact CD2-CB 4.04Å; L128-M135 PolarHBondContact O-N 3.09Å; L128-A136 HydrophobicContact CB-CB 4.13Å; L128-A136 HydrophobicContact CD1-CB 4.42Å; L128-Q141 HydrophobicContact CD1-CB 4.3Å; L128-Q141 HydrophobicContact CD1-CG 3.56Å; L128-D149 PolarHBondContact N-OD1 3.24Å; L128-D149 PolarHBondContact N-OD2 2.89Å
129W95Very high84.3Confident9 Ų959.2 Ų59.23%0.03432%0.316CS..SBendtrans-119.3-23-174.3-59.289.1000113.4G131 N134 A136 Q141 D149 C152 R153 D156 H157W129-G131 PolarHBondContact O-N 3.17Å; W129-N134 HydrophobicContact CD2-CB 3.96Å; W129-N134 HydrophobicContact CE3-CB 3.47Å; W129-N134 VanDerWaalsContact CE3-CB 3.47Å; W129-N134 HydrophobicContact CG-CB 4.44Å; W129-N134 HydrophobicContact CZ3-CB 3.93Å; W129-N134 VanDerWaalsContact CZ3-CG 3.45Å; W129-N134 WeakPolarHBondContact CZ3-ND2 3.45Å; W129-A136 HydrophobicContact CD2-CB 4.29Å; W129-A136 VanDerWaalsContact CE2-CB 3.46Å; W129-A136 HydrophobicContact CH2-CB 4.01Å; W129-A136 HydrophobicContact CZ2-CB 3.32Å; W129-Q141 PolarHBondContact NE1-O 3.29Å; W129-D149 WeakPolarHBondContact CA-OD1 3.43Å; W129-D149 VanDerWaalsContact CB-OD1 3.29Å; W129-D149 WeakPolarHBondContact CB-OD1 3.05Å; W129-D149 PolarHBondContact N-OD1 3.36Å; W129-C152 HydrophobicContact CB-CB 3.88Å; W129-R153 HydrophobicContact CB-CB 4.08Å; W129-R153 HydrophobicContact CD2-CB 3.61Å; W129-R153 HydrophobicContact CD2-CG 3.65Å; W129-R153 HydrophobicContact CE3-CB 4.09Å; W129-R153 HydrophobicContact CE3-CG 3.9Å; W129-R153 HydrophobicContact CG-CB 3.59Å; W129-R153 HydrophobicContact CG-CG 4.17Å; W129-R153 HydrophobicContact CH2-CG 4.13Å; W129-R153 HydrophobicContact CZ2-CG 3.87Å; W129-R153 HydrophobicContact CZ3-CG 4.14Å; W129-D156 HydrophobicContact CE3-CB 4.19Å; W129-H157 AromaticContact CH2-CE1 3.8Å; W129-H157 AromaticContact CZ3-CE1 3.49Å; W129-H157 VanDerWaalsContact CZ3-CE1 3.49Å; W129-H157 WeakPolarHBondContact CZ3-CE1 3.04Å
130C94.7Very high86.2Confident6 Ų657 Ų574%0.04131%0.312CS..SBendtrans-79.681-177.2-56.90000112T123 Y124 T127 C152 V203T123-C130 CarbonylContact C-O 3.58Å; T123-C130 VanDerWaalsContact CA-O 3.3Å; T123-C130 WeakPolarHBondContact CA-O 3.41Å; Y124-C130 PolarHBondContact N-O 3.13Å; T127-C130 HydrophobicContact CG2-CB 4.36Å; T127-C130 WeakPolarHBondContact OG1-CB 3.5Å; C130-C152 WeakPolarHBondContact CA-SG 3.3Å; C130-C152 HydrophobicContact CB-CB 3.8Å; C130-C152 WeakPolarHBondContact CB-SG 3.31Å; C130-C152 WeakPolarHBondContact SG-CB 3.34Å; C130-C152 CovalentContact SG-SG 2.03Å; C130-C152 PolarHBondContact SG-SG 2.97Å; C130-V203 HydrophobicContact CB-CG1 4.14Å; C130-V203 HydrophobicContact CB-CG2 4.1Å
131G89.3Confident87.9Confident30 Ų3050 Ų5031%0.30929%0.289SS..EExtended strand (participates in β ladder)trans-179.3-164.1-177.800000116.3F122 W129 G133F122-G131 VanDerWaalsContact O-CA 3.23Å; F122-G131 WeakPolarHBondContact O-CA 3.46Å; W129-G131 PolarHBondContact O-N 3.17Å; G131-G133 CarbonylContact C-O 3.46Å; G131-G133 PolarHBondContact O-N 3.15Å
132A83.5Confident89.6Confident36 Ų3652 Ų5230%0.29830%0.295SS..EExtended strand (participates in β ladder)trans-77.289.8171.300000109.1F122 L307F122-A132 PolarHBondContact O-N 3.2Å; F122-A132 VanDerWaalsContact O-N 3.14Å; A132-L307 HydrophobicContact CB-CD2 4.01Å
133G82.1Confident90.5Very high40 Ų4049.4 Ų49.441%0.41229%0.289SS..SBendtrans75-162.2-166.700000111.6G131G131-G133 CarbonylContact C-O 3.46Å; G131-G133 PolarHBondContact O-N 3.15Å
134N87.6Confident90.7Very high64 Ų6455.7 Ų55.734%0.34232%0.322SS..  trans-132.2158.6-177.557.776000113.1L128 W129 D156L128-N134 CarbonylContact O-C 3.52Å; L128-N134 WeakPolarHBondContact O-CA 3.26Å; L128-N134 WeakPolarHBondContact O-CB 3.5Å; W129-N134 HydrophobicContact CD2-CB 3.96Å; W129-N134 HydrophobicContact CE3-CB 3.47Å; W129-N134 VanDerWaalsContact CE3-CB 3.47Å; W129-N134 HydrophobicContact CG-CB 4.44Å; W129-N134 HydrophobicContact CZ3-CB 3.93Å; W129-N134 VanDerWaalsContact CZ3-CG 3.45Å; W129-N134 WeakPolarHBondContact CZ3-ND2 3.45Å; N134-D156 PolarHBondContact ND2-OD2 3.19Å
135M87.9Confident90.9Very high51 Ų5158.1 Ų58.125%0.25133%0.334SS..  trans-106.2-0.3177.6-69.8-175.358.100113.1K119 G121 T123 L128K119-M135 WeakPolarHBondContact O-CE 3.31Å; G121-M135 VanDerWaalsContact CA-CG 3.41Å; T123-M135 HydrophobicContact CG2-CB 4.46Å; T123-M135 HydrophobicContact CG2-CG 3.95Å; T123-M135 HydrophobicContact CG2-SD 4.37Å; T123-M135 PolarHBondContact OG1-SD 3.3Å; T123-M135 VanDerWaalsContact OG1-SD 3.38Å; L128-M135 HydrophobicContact CD2-CB 4.04Å; L128-M135 PolarHBondContact O-N 3.09Å
136A87.6Confident91.2Very high16 Ų1655.6 Ų55.613%0.13232%0.321CS..  trans-69.4134.6-178.900000110.9L128 W129 N138 Q141L128-A136 HydrophobicContact CB-CB 4.13Å; L128-A136 HydrophobicContact CD1-CB 4.42Å; W129-A136 HydrophobicContact CD2-CB 4.29Å; W129-A136 VanDerWaalsContact CE2-CB 3.46Å; W129-A136 HydrophobicContact CH2-CB 4.01Å; W129-A136 HydrophobicContact CZ2-CB 3.32Å; A136-N138 VanDerWaalsContact C-N 3.3Å; A136-Q141 HydrophobicContact CB-CB 4.31Å
137D87.1Confident91.5Very high124 Ų12460 Ų6066%0.66334%0.339SS*.SBendtrans-74.3-26.4173.1-68.5-45.4000111.2
138N89.7Confident91.6Very high85 Ų8559.9 Ų59.946%0.45534%0.339SS..SBendtrans-149.2161.7177.464.678.5000112.1A136 N140 Q141A136-N138 VanDerWaalsContact C-N 3.3Å; N138-N140 PolarHBondContact O-N 3.21Å; N138-N140 VanDerWaalsContact O-N 3.15Å; N138-N140 PolarHBondContact OD1-N 3.09Å; N138-N140 VanDerWaalsContact OD1-N 3.13Å; N138-Q141 WeakPolarHBondContact O-CB 3.5Å; N138-Q141 PolarHBondContact O-N 3.35Å; N138-Q141 VanDerWaalsContact O-N 3.1Å; N138-Q141 PolarHBondContact OD1-N 2.79Å; N138-Q141 VanDerWaalsContact OD1-N 3.1Å
139Y90.7Very high91.8Very high111 Ų11158.5 Ų58.544%0.43533%0.331SS..THydrogen-bonded Turntrans-55.9-33.3-176.5-176.1-92.9000114.3Q141 R153 H157Y139-Q141 VanDerWaalsContact C-N 3.34Å; Y139-R153 HydrophobicContact CE2-CG 4.12Å; Y139-R153 WeakPolarHBondContact O-CD 3.42Å; Y139-R153 PolarHBondContact O-NH1 3.06Å; Y139-H157 AromaticContact CD2-CE1 3.5Å; Y139-H157 VanDerWaalsContact CD2-CE1 3.5Å; Y139-H157 WeakPolarHBondContact CD2-CE1 3.45Å; Y139-H157 AromaticContact CD2-NE2 3.43Å; Y139-H157 WeakPolarHBondContact CD2-NE2 3.37Å; Y139-H157 AromaticContact CE2-CD2 3.85Å; Y139-H157 AromaticContact CE2-CE1 3.46Å; Y139-H157 VanDerWaalsContact CE2-CE1 3.46Å; Y139-H157 WeakPolarHBondContact CE2-CE1 3.44Å; Y139-H157 AromaticContact CE2-CG 3.95Å; Y139-H157 AromaticContact CE2-ND1 3.72Å; Y139-H157 AromaticContact CE2-NE2 3.53Å
140N93.2Very high91.9Very high127 Ų12759.6 Ų59.668%0.67934%0.341SS*.THydrogen-bonded Turntrans-86.6-8.3-175.6-65.6-39.7000113.2N138 L142N138-N140 PolarHBondContact O-N 3.21Å; N138-N140 VanDerWaalsContact O-N 3.15Å; N138-N140 PolarHBondContact OD1-N 3.09Å; N138-N140 VanDerWaalsContact OD1-N 3.13Å; N140-L142 PolarHBondContact O-N 3.43Å
141Q92.9Very high92.1Very high64 Ų6459.4 Ų59.430%0.29934%0.339SS..  trans-77.9121.2-179.5-164.5-175.70.400109.8L128 W129 A136 N138 Y139L128-Q141 HydrophobicContact CD1-CB 4.3Å; L128-Q141 HydrophobicContact CD1-CG 3.56Å; W129-Q141 PolarHBondContact NE1-O 3.29Å; A136-Q141 HydrophobicContact CB-CB 4.31Å; N138-Q141 WeakPolarHBondContact O-CB 3.5Å; N138-Q141 PolarHBondContact O-N 3.35Å; N138-Q141 VanDerWaalsContact O-N 3.1Å; N138-Q141 PolarHBondContact OD1-N 2.79Å; N138-Q141 VanDerWaalsContact OD1-N 3.1Å; Y139-Q141 VanDerWaalsContact C-N 3.34Å
142L95.2Very high92.4Very high57 Ų5758.4 Ų58.430%0.29833%0.327SS..  trans-118.3154.2173.9-62.6173.3000108.9N140 A146 D149N140-L142 PolarHBondContact O-N 3.43Å; L142-A146 HydrophobicContact CB-CB 4.17Å; L142-A146 HydrophobicContact CD1-CB 4.18Å; L142-D149 WeakPolarHBondContact CA-OD2 3.43Å; L142-D149 HydrophobicContact CD2-CB 4.2Å
143G93.2Very high93.1Very high18 Ų1858.2 Ų58.219%0.18632%0.319CS..  trans-78.6-172173.300000113.3G126 F145 A146 D149G126-G143 CarbonylContact O-C 3.5Å; G126-G143 WeakPolarHBondContact O-CA 3.36Å; G143-F145 VanDerWaalsContact C-N 3.26Å; G143-F145 PolarHBondContact O-N 3.42Å; G143-A146 PolarHBondContact O-N 2.86Å; G143-D149 PolarHBondContact N-OD2 3.19Å
144D94.8Very high93.8Very high147 Ų14759.6 Ų59.679%0.78632%0.319SS*.SBendtrans-57.7-38178.5-58.7-39.5000112.4G126 A146G126-D144 PolarHBondContact O-N 3.34Å; D144-A146 VanDerWaalsContact C-N 3.27Å; D144-A146 PolarHBondContact O-N 2.87Å
145F95.5Very high94.2Very high88 Ų8857.4 Ų57.439%0.38631%0.307SS..SBendtrans-90.259.5175.7-58.1-55.1000111.1Y124 P125 G126 T127 G143 D147 T148 D149Y124-F145 HydrophobicContact CD1-CD2 4.31Å; Y124-F145 AromaticContact CE1-CD2 3.94Å; Y124-F145 HydrophobicContact CE1-CD2 3.94Å; Y124-F145 AromaticContact CE1-CE2 3.9Å; Y124-F145 HydrophobicContact CE1-CE2 3.9Å; P125-F145 WeakPolarHBondContact O-CD2 3.07Å; P125-F145 VanDerWaalsContact O-CE2 3.24Å; P125-F145 WeakPolarHBondContact O-CE2 3.49Å; G126-F145 PolarHBondContact O-N 3.31Å; T127-F145 HydrophobicContact CG2-CB 3.96Å; T127-F145 HydrophobicContact CG2-CD2 4.22Å; G143-F145 VanDerWaalsContact C-N 3.26Å; G143-F145 PolarHBondContact O-N 3.42Å; F145-D147 VanDerWaalsContact C-N 3.3Å; F145-D147 PolarHBondContact O-N 2.79Å; F145-T148 PolarHBondContact O-N 3.05Å; F145-D149 VanDerWaalsContact O-CB 3.26Å; F145-D149 WeakPolarHBondContact O-CB 3.07Å; F145-D149 PolarHBondContact O-N 2.95Å
146A96.7Very high94.5Very high40 Ų4057.7 Ų57.733%0.33131%0.309SS..Hα-helixtrans-53.4-39.8-168.700000114.7L142 G143 D144 D149 S150L142-A146 HydrophobicContact CB-CB 4.17Å; L142-A146 HydrophobicContact CD1-CB 4.18Å; G143-A146 PolarHBondContact O-N 2.86Å; D144-A146 VanDerWaalsContact C-N 3.27Å; D144-A146 PolarHBondContact O-N 2.87Å; A146-D149 PolarHBondContact O-N 2.85Å; A146-S150 VanDerWaalsContact O-CB 3.31Å; A146-S150 WeakPolarHBondContact O-CB 3.32Å; A146-S150 PolarHBondContact O-N 2.85Å
147D97.4Very high94.8Very high113 Ų11361.5 Ų61.560%0.60432%0.324SS*.Hα-helixtrans-68.2-49-179.2-65.8-31.9000111.8F145 D149 S150 C151 V195F145-D147 VanDerWaalsContact C-N 3.3Å; F145-D147 PolarHBondContact O-N 2.79Å; D147-D149 VanDerWaalsContact C-N 3.31Å; D147-D149 PolarHBondContact O-N 3.31Å; D147-S150 PolarHBondContact O-N 3.5Å; D147-C151 PolarHBondContact O-N 2.92Å; D147-C151 PolarHBondContact O-SG 3.3Å; D147-V195 HydrophobicContact CB-CG1 3.94Å; D147-V195 HydrophobicContact CB-CG2 3.91Å
148T96.3Very high95.2Very high2 Ų256.2 Ų56.21%0.01230%0.297CS..Hα-helixtrans-60-43.6173.4-58.70000111.1F145 S150 C151 C152 L192 S199 S200 V203F145-T148 PolarHBondContact O-N 3.05Å; T148-S150 VanDerWaalsContact C-N 3.33Å; T148-S150 PolarHBondContact O-N 3.34Å; T148-C151 WeakPolarHBondContact O-CB 3.45Å; T148-C151 PolarHBondContact O-N 3.44Å; T148-C152 PolarHBondContact O-N 2.04Å; T148-L192 HydrophobicContact CG2-CD2 3.97Å; T148-S199 PolarHBondContact OG1-OG 3.3Å; T148-S200 PolarHBondContact OG1-N 3.49Å; T148-V203 HydrophobicContact CG2-CB 4.43Å; T148-V203 HydrophobicContact CG2-CG2 4.16Å
149D97.1Very high95.5Very high0 Ų057 Ų570%031%0.307CS..Hα-helixtrans-67-36-178-158.126000112T127 L128 W129 L142 G143 F145 A146 D147 C151 C152 R153T127-D149 VanDerWaalsContact CB-OD1 3.26Å; T127-D149 WeakPolarHBondContact CB-OD1 3.05Å; T127-D149 HydrophobicContact CG2-CB 4.08Å; L128-D149 PolarHBondContact N-OD1 3.24Å; L128-D149 PolarHBondContact N-OD2 2.89Å; W129-D149 WeakPolarHBondContact CA-OD1 3.43Å; W129-D149 VanDerWaalsContact CB-OD1 3.29Å; W129-D149 WeakPolarHBondContact CB-OD1 3.05Å; W129-D149 PolarHBondContact N-OD1 3.36Å; L142-D149 WeakPolarHBondContact CA-OD2 3.43Å; L142-D149 HydrophobicContact CD2-CB 4.2Å; G143-D149 PolarHBondContact N-OD2 3.19Å; F145-D149 VanDerWaalsContact O-CB 3.26Å; F145-D149 WeakPolarHBondContact O-CB 3.07Å; F145-D149 PolarHBondContact O-N 2.95Å; A146-D149 PolarHBondContact O-N 2.85Å; D147-D149 VanDerWaalsContact C-N 3.31Å; D147-D149 PolarHBondContact O-N 3.31Å; D149-C151 VanDerWaalsContact C-N 3.32Å; D149-C151 PolarHBondContact O-N 2.79Å; D149-C152 PolarHBondContact O-N 2.94Å; D149-R153 WeakPolarHBondContact O-CB 3.26Å; D149-R153 PolarHBondContact O-N 3.12Å
150S97.7Very high95.8Very high33 Ų3354.9 Ų54.923%0.23130%0.301CS..Hα-helixtrans-65.1-35174.1-173.10000112A146 D147 T148 R153 T154A146-S150 VanDerWaalsContact O-CB 3.31Å; A146-S150 WeakPolarHBondContact O-CB 3.32Å; A146-S150 PolarHBondContact O-N 2.85Å; D147-S150 PolarHBondContact O-N 3.5Å; T148-S150 VanDerWaalsContact C-N 3.33Å; T148-S150 PolarHBondContact O-N 3.34Å; S150-R153 PolarHBondContact O-N 2.05Å; S150-R153 PolarHBondContact OG-NH2 3Å; S150-T154 PolarHBondContact O-N 2.87Å; S150-T154 VanDerWaalsContact O-N 3.09Å; S150-T154 PolarHBondContact O-OG1 3.41Å; S150-T154 VanDerWaalsContact O-OG1 3.13Å
151C97.8Very high95.9Very high2 Ų249.8 Ų49.81%0.01427%0.274CS..Hα-helixtrans-60.2-47.1173.2-61.80000111.1D147 T148 D149 T154 H155 L188 C191 L192D147-C151 PolarHBondContact O-N 2.92Å; D147-C151 PolarHBondContact O-SG 3.3Å; T148-C151 WeakPolarHBondContact O-CB 3.45Å; T148-C151 PolarHBondContact O-N 3.44Å; D149-C151 VanDerWaalsContact C-N 3.32Å; D149-C151 PolarHBondContact O-N 2.79Å; C151-T154 PolarHBondContact O-N 3.23Å; C151-H155 PolarHBondContact O-N 3.4Å; C151-H155 VanDerWaalsContact O-N 3.14Å; C151-L188 HydrophobicContact CB-CD1 3.97Å; C151-C191 WeakPolarHBondContact CA-SG 3.46Å; C151-C191 HydrophobicContact CB-CB 3.73Å; C151-C191 WeakPolarHBondContact CB-SG 3.22Å; C151-C191 WeakPolarHBondContact SG-CB 3.47Å; C151-C191 CovalentContact SG-SG 2.04Å; C151-C191 PolarHBondContact SG-SG 2.86Å; C151-L192 HydrophobicContact CB-CD2 3.97Å; C151-L192 HydrophobicContact CB-CG 4.32Å
152C97.1Very high96Very high8 Ų846.7 Ų46.75%0.05426%0.26CS..Hα-helixtrans-66.8-39.4178.5-58.60000112.3W129 C130 T148 D149 T154 H155 D156W129-C152 HydrophobicContact CB-CB 3.88Å; C130-C152 WeakPolarHBondContact CA-SG 3.3Å; C130-C152 HydrophobicContact CB-CB 3.8Å; C130-C152 WeakPolarHBondContact CB-SG 3.31Å; C130-C152 WeakPolarHBondContact SG-CB 3.34Å; C130-C152 CovalentContact SG-SG 2.03Å; C130-C152 PolarHBondContact SG-SG 2.97Å; T148-C152 PolarHBondContact O-N 2.04Å; D149-C152 PolarHBondContact O-N 2.94Å; C152-T154 VanDerWaalsContact C-N 3.33Å; C152-T154 PolarHBondContact O-N 3.13Å; C152-H155 WeakPolarHBondContact O-CB 3.43Å; C152-H155 PolarHBondContact O-N 3.44Å; C152-D156 WeakPolarHBondContact O-CB 3.15Å; C152-D156 PolarHBondContact O-N 3.03Å
153R97.1Very high95.9Very high33 Ų3349.5 Ų49.513%0.12527%0.271CS..Hα-helixtrans-57.7-45.8174.9-179.8-177.161.5172.3-3.5112W129 Y139 D149 S150 H155 D156 H157W129-R153 HydrophobicContact CB-CB 4.08Å; W129-R153 HydrophobicContact CD2-CB 3.61Å; W129-R153 HydrophobicContact CD2-CG 3.65Å; W129-R153 HydrophobicContact CE3-CB 4.09Å; W129-R153 HydrophobicContact CE3-CG 3.9Å; W129-R153 HydrophobicContact CG-CB 3.59Å; W129-R153 HydrophobicContact CG-CG 4.17Å; W129-R153 HydrophobicContact CH2-CG 4.13Å; W129-R153 HydrophobicContact CZ2-CG 3.87Å; W129-R153 HydrophobicContact CZ3-CG 4.14Å; Y139-R153 HydrophobicContact CE2-CG 4.12Å; Y139-R153 WeakPolarHBondContact O-CD 3.42Å; Y139-R153 PolarHBondContact O-NH1 3.06Å; D149-R153 WeakPolarHBondContact O-CB 3.26Å; D149-R153 PolarHBondContact O-N 3.12Å; S150-R153 PolarHBondContact O-N 2.05Å; S150-R153 PolarHBondContact OG-NH2 3Å; R153-H155 VanDerWaalsContact C-N 3.31Å; R153-D156 PolarHBondContact O-N 3.14Å; R153-H157 PolarHBondContact O-N 3.45Å; R153-H157 PolarHBondContact O-ND1 2.99Å
154T97.3Very high95.8Very high69 Ų6950.1 Ų50.142%0.42327%0.274SS..Hα-helixtrans-61.7-43.5177.8-61.50000110.5S150 C151 C152 H157S150-T154 PolarHBondContact O-N 2.87Å; S150-T154 VanDerWaalsContact O-N 3.09Å; S150-T154 PolarHBondContact O-OG1 3.41Å; S150-T154 VanDerWaalsContact O-OG1 3.13Å; C151-T154 PolarHBondContact O-N 3.23Å; C152-T154 VanDerWaalsContact C-N 3.33Å; C152-T154 PolarHBondContact O-N 3.13Å; T154-H157 PolarHBondContact O-N 3.09Å
155H95.9Very high95.7Very high17 Ų1748.5 Ų48.58%0.07926%0.26CS..Hα-helixtrans-63.8-41.8177.3-179.4-104.6000113.4C151 C152 R153 H157 C158 D185 L188 F207C151-H155 PolarHBondContact O-N 3.4Å; C151-H155 VanDerWaalsContact O-N 3.14Å; C152-H155 WeakPolarHBondContact O-CB 3.43Å; C152-H155 PolarHBondContact O-N 3.44Å; R153-H155 VanDerWaalsContact C-N 3.31Å; H155-H157 PolarHBondContact O-N 3.18Å; H155-H157 VanDerWaalsContact O-N 3.11Å; H155-C158 VanDerWaalsContact O-CB 3.26Å; H155-C158 WeakPolarHBondContact O-CB 3.49Å; H155-C158 PolarHBondContact O-N 3.11Å; H155-D185 IonicContact CD2-OD1 3.03Å; H155-D185 IonicContact CE1-OD1 3.65Å; H155-D185 IonicContact NE2-OD1 3.76Å; H155-D185 PolarHBondContact NE2-OD1 3.26Å; H155-L188 HydrophobicContact CB-CB 4.26Å; H155-L188 HydrophobicContact CB-CD1 4.12Å; H155-L188 HydrophobicContact CB-CD2 4.12Å; H155-L188 HydrophobicContact CB-CG 4.39Å; H155-F207 AromaticContact CE1-CE2 3.96Å; H155-F207 AromaticContact CE1-CZ 3.61Å
156D94.4Very high95.5Very high57 Ų5746.1 Ų46.131%0.30525%0.254SS..Hα-helixtrans-57.7-25.4174.9-102.320.7000112.6W129 N134 C152 R153W129-D156 HydrophobicContact CE3-CB 4.19Å; N134-D156 PolarHBondContact ND2-OD2 3.19Å; C152-D156 WeakPolarHBondContact O-CB 3.15Å; C152-D156 PolarHBondContact O-N 3.03Å; R153-D156 PolarHBondContact O-N 3.14Å
157H94.5Very high95.4Very high97 Ų9748.1 Ų48.145%0.44927%0.266SS..THydrogen-bonded Turntrans-9821178.4-69.479.4000113.3W129 Y139 R153 T154 H155W129-H157 AromaticContact CH2-CE1 3.8Å; W129-H157 AromaticContact CZ3-CE1 3.49Å; W129-H157 VanDerWaalsContact CZ3-CE1 3.49Å; W129-H157 WeakPolarHBondContact CZ3-CE1 3.04Å; Y139-H157 AromaticContact CD2-CE1 3.5Å; Y139-H157 VanDerWaalsContact CD2-CE1 3.5Å; Y139-H157 WeakPolarHBondContact CD2-CE1 3.45Å; Y139-H157 AromaticContact CD2-NE2 3.43Å; Y139-H157 WeakPolarHBondContact CD2-NE2 3.37Å; Y139-H157 AromaticContact CE2-CD2 3.85Å; Y139-H157 AromaticContact CE2-CE1 3.46Å; Y139-H157 VanDerWaalsContact CE2-CE1 3.46Å; Y139-H157 WeakPolarHBondContact CE2-CE1 3.44Å; Y139-H157 AromaticContact CE2-CG 3.95Å; Y139-H157 AromaticContact CE2-ND1 3.72Å; Y139-H157 AromaticContact CE2-NE2 3.53Å; R153-H157 PolarHBondContact O-N 3.45Å; R153-H157 PolarHBondContact O-ND1 2.99Å; T154-H157 PolarHBondContact O-N 3.09Å; H155-H157 PolarHBondContact O-N 3.18Å; H155-H157 VanDerWaalsContact O-N 3.11Å
158C95.7Very high95.2Very high13 Ų1345.9 Ų45.99%0.08825%0.254CS..  trans-55.9133.1172.8-174.20000110.5H155 H160 V161 C180 C184H155-C158 VanDerWaalsContact O-CB 3.26Å; H155-C158 WeakPolarHBondContact O-CB 3.49Å; H155-C158 PolarHBondContact O-N 3.11Å; C158-H160 PolarHBondContact O-N 2.83Å; C158-H160 PolarHBondContact SG-O 2.89Å; C158-V161 HydrophobicContact CB-CG2 3.84Å; C158-V161 WeakPolarHBondContact O-CG2 3.49Å; C158-C180 HydrophobicContact CB-CB 4.45Å; C158-C184 HydrophobicContact CB-CB 3.75Å; C158-C184 WeakPolarHBondContact CB-SG 3.35Å; C158-C184 WeakPolarHBondContact SG-CB 3.38Å; C158-C184 CovalentContact SG-SG 2.04Å; C158-C184 PolarHBondContact SG-SG 3.46Å
159P95.6Very high95.2Very high101 Ų10148.3 Ų48.366%0.65626%0.263SS*.SBendtrans-68.7-20.3-177.226.5-35.4000113.4
160H96.1Very high95Very high67 Ų6751.7 Ų51.731%0.3130%0.299SS..SBendtrans-128.2102.2-172.5-62.6-40.7000109.7C158 Y169 H181 F216 F218C158-H160 PolarHBondContact O-N 2.83Å; C158-H160 PolarHBondContact SG-O 2.89Å; H160-Y169 HydrophobicContact CB-CE2 4.48Å; H160-Y169 AromaticContact ND1-CZ 3.98Å; H160-Y169 PolarHBondContact ND1-OH 2.82Å; H160-Y169 VanDerWaalsContact ND1-OH 3.08Å; H160-H181 HydrophobicContact CB-CB 4Å; H160-H181 PolarHBondContact O-N 2.92Å; H160-H181 VanDerWaalsContact O-N 3.12Å; H160-F216 HydrophobicContact CB-CE2 4.38Å; H160-F216 HydrophobicContact CB-CZ 3.92Å; H160-F216 WeakPolarHBondContact O-CZ 3.45Å; H160-F218 HydrophobicContact CB-CE2 4.47Å; H160-F218 HydrophobicContact CB-CZ 4.13Å; H160-F218 AromaticContact CD2-CE2 3.62Å; H160-F218 AromaticContact CG-CE2 3.89Å; H160-F218 AromaticContact CG-CZ 3.78Å; H160-F218 AromaticContact NE2-CE2 3.91Å
161V95.6Very high94.8Very high19 Ų1953.2 Ų53.212%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-135141.1-175.7-176.10000110.2C158 N168C158-V161 HydrophobicContact CB-CG2 3.84Å; C158-V161 WeakPolarHBondContact O-CG2 3.49Å; V161-N168 PolarHBondContact O-ND2 2.84Å
162I95.1Very high94.7Very high0 Ų055.6 Ų55.60%031%0.314CS..EExtended strand (participates in β ladder)trans-111.1100.3167.1-45-176.6000107.1N168 Y169 Y171 N173 S178 I179 F216 A242I162-N168 HydrophobicContact CG1-CB 4.23Å; I162-N168 HydrophobicContact CG2-CB 4.2Å; I162-Y169 HydrophobicContact CD1-CD2 4.32Å; I162-Y169 HydrophobicContact CG1-CD2 4.08Å; I162-Y171 HydrophobicContact CD1-CD1 3.9Å; I162-Y171 HydrophobicContact CD1-CG 4.35Å; I162-Y171 HydrophobicContact CG2-CD1 4.47Å; I162-N173 HydrophobicContact CB-CB 4.49Å; I162-N173 HydrophobicContact CG2-CB 3.65Å; I162-N173 PolarHBondContact O-ND2 3.34Å; I162-S178 WeakPolarHBondContact O-CA 3.04Å; I162-I179 HydrophobicContact CB-CB 4.5Å; I162-I179 PolarHBondContact N-O 3.48Å; I162-I179 PolarHBondContact O-N 3.25Å; I162-F216 HydrophobicContact CD1-CD1 4.13Å; I162-F216 HydrophobicContact CD1-CE1 4.15Å; I162-F216 HydrophobicContact CD1-CG 4.44Å; I162-F216 HydrophobicContact CD1-CZ 4.47Å; I162-F216 HydrophobicContact CG1-CD1 4.21Å; I162-F216 HydrophobicContact CG1-CE1 3.77Å; I162-F216 HydrophobicContact CG1-CZ 4.12Å; I162-A242 HydrophobicContact CD1-CB 3.65Å
163H93.4Very high94.6Very high115 Ų11555.2 Ų55.253%0.53231%0.312SS..  trans-62.2157.6-178-64.7-62.6000111.9F165 S166 N173H163-F165 PolarHBondContact O-N 2.82Å; H163-S166 WeakPolarHBondContact CA-OG 3.5Å; H163-S166 WeakPolarHBondContact CB-OG 3.43Å; H163-S166 PolarHBondContact N-OG 2.69Å; H163-S166 VanDerWaalsContact N-OG 3.14Å; H163-S166 WeakPolarHBondContact O-CB 3.25Å; H163-S166 PolarHBondContact O-N 3.37Å; H163-S166 PolarHBondContact O-OG 2.92Å; H163-N173 PolarHBondContact O-ND2 2.86Å
164A91Very high94.4Very high31 Ų3161.3 Ų61.326%0.25634%0.339SS..THydrogen-bonded Turntrans-50.8136.8172.300000111.1S166 K175 W176A164-S166 PolarHBondContact O-N 3.44Å; A164-S166 VanDerWaalsContact O-N 3.13Å; A164-K175 VanDerWaalsContact CA-O 3.32Å; A164-K175 WeakPolarHBondContact CA-O 3.46Å; A164-K175 WeakPolarHBondContact CB-O 3.46Å; A164-W176 VanDerWaalsContact CB-C 3.43Å; A164-W176 WeakPolarHBondContact CB-O 3.32Å
165F91.9Very high94Very high114 Ų11462.2 Ų62.250%0.534%0.338SS..THydrogen-bonded Turntrans55.826.4178.7-48.5-66.1000115.2H163 N173 F174 K175 W176H163-F165 PolarHBondContact O-N 2.82Å; F165-N173 CarbonylContact C-O 3.58Å; F165-N173 WeakPolarHBondContact CA-O 3.39Å; F165-N173 PolarHBondContact N-O 3.26Å; F165-F174 VanDerWaalsContact CE1-O 3.31Å; F165-F174 WeakPolarHBondContact CE1-O 3.1Å; F165-K175 PolarHBondContact N-O 2.91Å; F165-W176 HydrophobicContact CE2-CB 4.1Å; F165-W176 HydrophobicContact CZ-CB 3.84Å
166S92.2Very high93.6Very high37 Ų3764.4 Ų64.426%0.25935%0.345SS..  trans-122.8161.1-179.7780000112.5H163 A164 N173H163-S166 WeakPolarHBondContact CA-OG 3.5Å; H163-S166 WeakPolarHBondContact CB-OG 3.43Å; H163-S166 PolarHBondContact N-OG 2.69Å; H163-S166 VanDerWaalsContact N-OG 3.14Å; H163-S166 WeakPolarHBondContact O-CB 3.25Å; H163-S166 PolarHBondContact O-N 3.37Å; H163-S166 PolarHBondContact O-OG 2.92Å; A164-S166 PolarHBondContact O-N 3.44Å; A164-S166 VanDerWaalsContact O-N 3.13Å; S166-N173 PolarHBondContact N-O 3.48Å; S166-N173 PolarHBondContact O-N 3.14Å
167S93.8Very high93.3Very high83 Ų8362.9 Ų62.958%0.5834%0.336SS*.EExtended strand (participates in β ladder)trans-111.9127.2174.2-58.50000110.3Y171 T172S167-Y171 CarbonylContact C-O 3.52Å; S167-Y171 VanDerWaalsContact CA-O 3.25Å; S167-Y171 WeakPolarHBondContact CA-O 3.49Å; S167-T172 WeakPolarHBondContact OG-CB 3.41Å; S167-T172 VanDerWaalsContact OG-CG2 3.32Å; S167-T172 WeakPolarHBondContact OG-CG2 3.39Å; S167-T172 PolarHBondContact OG-OG1 2.74Å
168N94.2Very high93.2Very high66 Ų6660.5 Ų60.535%0.35333%0.33SS..EExtended strand (participates in β ladder)trans-149.9154.5174-160-1.6000109.9V161 I162 G170 Y171V161-N168 PolarHBondContact O-ND2 2.84Å; I162-N168 HydrophobicContact CG1-CB 4.23Å; I162-N168 HydrophobicContact CG2-CB 4.2Å; N168-G170 PolarHBondContact O-N 3.1Å; N168-G170 VanDerWaalsContact O-N 3.09Å; N168-Y171 PolarHBondContact N-O 2.92Å; N168-Y171 PolarHBondContact O-N 3.42Å
169Y95.1Very high93.2Very high52 Ų5259.9 Ų59.920%0.20433%0.326CS..THydrogen-bonded Turntrans48.739.4179.7-48.9-66.9000113.8H160 I162 Y171 F216 F218 I241 A242H160-Y169 HydrophobicContact CB-CE2 4.48Å; H160-Y169 AromaticContact ND1-CZ 3.98Å; H160-Y169 PolarHBondContact ND1-OH 2.82Å; H160-Y169 VanDerWaalsContact ND1-OH 3.08Å; I162-Y169 HydrophobicContact CD1-CD2 4.32Å; I162-Y169 HydrophobicContact CG1-CD2 4.08Å; Y169-Y171 PolarHBondContact O-N 3.1Å; Y169-Y171 VanDerWaalsContact O-N 3.17Å; Y169-F216 HydrophobicContact CD2-CE2 4.02Å; Y169-F216 HydrophobicContact CD2-CZ 4.04Å; Y169-F216 HydrophobicContact CE2-CE2 4.24Å; Y169-F216 AromaticContact CE2-CZ 3.99Å; Y169-F216 HydrophobicContact CE2-CZ 3.99Å; Y169-F218 AromaticContact CD1-CE1 3.51Å; Y169-F218 HydrophobicContact CD1-CE1 3.51Å; Y169-F218 HydrophobicContact CD1-CZ 4.07Å; Y169-F218 AromaticContact CD2-CE1 3.98Å; Y169-F218 HydrophobicContact CD2-CE1 3.98Å; Y169-F218 HydrophobicContact CD2-CZ 4.46Å; Y169-F218 AromaticContact CE1-CE1 3.78Å; Y169-F218 HydrophobicContact CE1-CE1 3.78Å; Y169-F218 AromaticContact CE1-CZ 3.83Å; Y169-F218 HydrophobicContact CE1-CZ 3.83Å; Y169-F218 HydrophobicContact CE2-CE1 4.23Å; Y169-F218 HydrophobicContact CE2-CZ 4.25Å; Y169-F218 AromaticContact CG-CE1 3.62Å; Y169-F218 HydrophobicContact CG-CE1 3.62Å; Y169-F218 HydrophobicContact CG-CZ 4.38Å; Y169-F218 AromaticContact CZ-CZ 3.93Å; Y169-I241 CarbonylContact O-C 3.48Å; Y169-I241 VanDerWaalsContact O-CA 3.28Å; Y169-I241 WeakPolarHBondContact O-CA 3.29Å; Y169-A242 PolarHBondContact O-N 3.09Å
170G92.8Very high93.2Very high72 Ų7255.4 Ų55.474%0.74230%0.297SS*.THydrogen-bonded Turntrans70.45.3-178.800000115.8N168N168-G170 PolarHBondContact O-N 3.1Å; N168-G170 VanDerWaalsContact O-N 3.09Å
171Y94.6Very high93.3Very high64 Ų6453.2 Ų53.225%0.25129%0.287SS..EExtended strand (participates in β ladder)trans-114.9140.6177.3-177-93.3000111.3I162 S167 N168 Y169 N173 I179 L244I162-Y171 HydrophobicContact CD1-CD1 3.9Å; I162-Y171 HydrophobicContact CD1-CG 4.35Å; I162-Y171 HydrophobicContact CG2-CD1 4.47Å; S167-Y171 CarbonylContact C-O 3.52Å; S167-Y171 VanDerWaalsContact CA-O 3.25Å; S167-Y171 WeakPolarHBondContact CA-O 3.49Å; N168-Y171 PolarHBondContact N-O 2.92Å; N168-Y171 PolarHBondContact O-N 3.42Å; Y169-Y171 PolarHBondContact O-N 3.1Å; Y169-Y171 VanDerWaalsContact O-N 3.17Å; Y171-N173 HydrophobicContact CD1-CB 4.46Å; Y171-N173 HydrophobicContact CE1-CB 4.12Å; Y171-I179 HydrophobicContact CE1-CD1 4.06Å; Y171-L244 HydrophobicContact CE1-CD1 4.17Å; Y171-L244 HydrophobicContact CE1-CD2 4.43Å; Y171-L244 HydrophobicContact CE1-CG 4.48Å; Y171-L244 HydrophobicContact CE2-CD1 3.73Å; Y171-L244 HydrophobicContact CE2-CG 4.02Å; Y171-L244 VanDerWaalsContact CZ-CD1 3.44Å; Y171-L244 WeakPolarHBondContact OH-CD1 3.42Å
172T95.2Very high93.3Very high52 Ų5252.5 Ų52.532%0.31928%0.283SS..EExtended strand (participates in β ladder)trans-108.3114175.2-58.10000110S167 F174S167-T172 WeakPolarHBondContact OG-CB 3.41Å; S167-T172 VanDerWaalsContact OG-CG2 3.32Å; S167-T172 WeakPolarHBondContact OG-CG2 3.39Å; S167-T172 PolarHBondContact OG-OG1 2.74Å; T172-F174 HydrophobicContact CG2-CD1 4.15Å; T172-F174 HydrophobicContact CG2-CD2 4.29Å; T172-F174 HydrophobicContact CG2-CE1 3.59Å; T172-F174 HydrophobicContact CG2-CE2 3.76Å; T172-F174 HydrophobicContact CG2-CG 4.48Å; T172-F174 HydrophobicContact CG2-CZ 3.38Å; T172-F174 WeakPolarHBondContact O-CD2 3.45Å; T172-F174 PolarHBondContact O-N 3.39Å
173N94.4Very high93.4Very high0 Ų056.9 Ų56.90%031%0.306CS..  trans-84.3104.8178.2-179.112.9000110.6I162 H163 F165 S166 Y171 K175 H177 I179I162-N173 HydrophobicContact CB-CB 4.49Å; I162-N173 HydrophobicContact CG2-CB 3.65Å; I162-N173 PolarHBondContact O-ND2 3.34Å; H163-N173 PolarHBondContact O-ND2 2.86Å; F165-N173 CarbonylContact C-O 3.58Å; F165-N173 WeakPolarHBondContact CA-O 3.39Å; F165-N173 PolarHBondContact N-O 3.26Å; S166-N173 PolarHBondContact N-O 3.48Å; S166-N173 PolarHBondContact O-N 3.14Å; Y171-N173 HydrophobicContact CD1-CB 4.46Å; Y171-N173 HydrophobicContact CE1-CB 4.12Å; N173-K175 VanDerWaalsContact C-N 3.31Å; N173-K175 WeakPolarHBondContact OD1-CA 3.44Å; N173-K175 WeakPolarHBondContact OD1-CB 3.46Å; N173-K175 PolarHBondContact OD1-N 2.98Å; N173-H177 PolarHBondContact ND2-O 3.31Å; N173-I179 HydrophobicContact CB-CD1 4.21Å
174F92.9Very high93.6Very high161 Ų16152.1 Ų52.171%0.70629%0.286SS*.  trans-87.81.9174.1-60.7-73.3000113.7F165 T172F165-F174 VanDerWaalsContact CE1-O 3.31Å; F165-F174 WeakPolarHBondContact CE1-O 3.1Å; T172-F174 HydrophobicContact CG2-CD1 4.15Å; T172-F174 HydrophobicContact CG2-CD2 4.29Å; T172-F174 HydrophobicContact CG2-CE1 3.59Å; T172-F174 HydrophobicContact CG2-CE2 3.76Å; T172-F174 HydrophobicContact CG2-CG 4.48Å; T172-F174 HydrophobicContact CG2-CZ 3.38Å; T172-F174 WeakPolarHBondContact O-CD2 3.45Å; T172-F174 PolarHBondContact O-N 3.39Å
175K89.9Confident93.8Very high89 Ų8950.9 Ų50.939%0.38728%0.275SS..SBendtrans-83.6156.6178.7-56.2174.4178.9-87.90109.7A164 F165 N173 H177 I179A164-K175 VanDerWaalsContact CA-O 3.32Å; A164-K175 WeakPolarHBondContact CA-O 3.46Å; A164-K175 WeakPolarHBondContact CB-O 3.46Å; F165-K175 PolarHBondContact N-O 2.91Å; N173-K175 VanDerWaalsContact C-N 3.31Å; N173-K175 WeakPolarHBondContact OD1-CA 3.44Å; N173-K175 WeakPolarHBondContact OD1-CB 3.46Å; N173-K175 PolarHBondContact OD1-N 2.98Å; K175-H177 VanDerWaalsContact C-N 3.25Å; K175-H177 VanDerWaalsContact CD-CE1 3.45Å; K175-H177 WeakPolarHBondContact CD-CE1 3.5Å; K175-H177 WeakPolarHBondContact CD-NE2 3.43Å; K175-H177 PolarHBondContact O-N 3.44Å; K175-I179 HydrophobicContact CD-CD1 4.43Å
176W87.1Confident94Very high63 Ų6351.4 Ų51.424%0.23928%0.279CS..SBendtrans-80.7-4.9-178.463.3-91.4000113.8A164 F165 I211 I304 L307 A308 S311A164-W176 VanDerWaalsContact CB-C 3.43Å; A164-W176 WeakPolarHBondContact CB-O 3.32Å; F165-W176 HydrophobicContact CE2-CB 4.1Å; F165-W176 HydrophobicContact CZ-CB 3.84Å; W176-I211 HydrophobicContact CH2-CD1 4.25Å; W176-I211 HydrophobicContact CH2-CG1 4.49Å; W176-I211 HydrophobicContact CZ2-CG1 4.39Å; W176-I211 HydrophobicContact CZ2-CG2 4.48Å; W176-I304 HydrophobicContact CZ2-CG2 4.4Å; W176-L307 HydrophobicContact CH2-CB 3.78Å; W176-L307 HydrophobicContact CZ3-CB 3.83Å; W176-A308 HydrophobicContact CH2-CB 4.33Å; W176-A308 HydrophobicContact CZ2-CB 4.03Å; W176-S311 PolarHBondContact O-OG 3.45Å
177H89.1Confident94.2Very high25 Ų2555.5 Ų55.512%0.11629%0.294CS..SBendtrans-115.7154.6176.560.573.9000109.9N173 K175N173-H177 PolarHBondContact ND2-O 3.31Å; K175-H177 VanDerWaalsContact C-N 3.25Å; K175-H177 VanDerWaalsContact CD-CE1 3.45Å; K175-H177 WeakPolarHBondContact CD-CE1 3.5Å; K175-H177 WeakPolarHBondContact CD-NE2 3.43Å; K175-H177 PolarHBondContact O-N 3.44Å
178S92.1Very high94.3Very high46 Ų4651.9 Ų51.932%0.32227%0.268SS..  trans-67.9156.7172.5-590000111I162 V213I162-S178 WeakPolarHBondContact O-CA 3.04Å; S178-V213 WeakPolarHBondContact O-CG1 3.48Å
179I95Very high94.3Very high0 Ų049.8 Ų49.80%026%0.256CS..EExtended strand (participates in β ladder)trans-121.2124.4172.7-59172.5000106I162 Y171 N173 K175 P214 F216 L244I162-I179 HydrophobicContact CB-CB 4.5Å; I162-I179 PolarHBondContact N-O 3.48Å; I162-I179 PolarHBondContact O-N 3.25Å; Y171-I179 HydrophobicContact CE1-CD1 4.06Å; N173-I179 HydrophobicContact CB-CD1 4.21Å; K175-I179 HydrophobicContact CD-CD1 4.43Å; I179-P214 HydrophobicContact CD1-CG 4.16Å; I179-P214 HydrophobicContact CG1-CG 4.36Å; I179-P214 WeakPolarHBondContact CG2-O 3.45Å; I179-F216 HydrophobicContact CG2-CD1 3.72Å; I179-F216 WeakPolarHBondContact O-CE1 3.45Å; I179-L244 HydrophobicContact CD1-CD2 3.98Å; I179-L244 HydrophobicContact CG2-CD2 3.71Å
180C95.9Very high94.3Very high8 Ų850 Ų505%0.05427%0.268CS..EExtended strand (participates in β ladder)trans-105.6166.9-178.5-62.70000111.1C158 C184 C215 F216C158-C180 HydrophobicContact CB-CB 4.45Å; C180-C184 HydrophobicContact CB-CB 4.37Å; C180-C215 WeakPolarHBondContact O-CA 3.08Å; C180-F216 VanDerWaalsContact C-CD1 3.47Å; C180-F216 WeakPolarHBondContact O-CD1 3.3Å; C180-F216 PolarHBondContact O-N 3.36Å
181H97.4Very high94.5Very high20 Ų2048.5 Ų48.59%0.09325%0.246CC..BIsolated β-bridgetrans-62.7144.9172.4-166.8-93.4000111H160 D183 C184 D185 F216 F218H160-H181 HydrophobicContact CB-CB 4Å; H160-H181 PolarHBondContact O-N 2.92Å; H160-H181 VanDerWaalsContact O-N 3.12Å; H181-D183 VanDerWaalsContact C-N 3.27Å; H181-D183 IonicContact CE1-OD1 2.79Å; H181-D183 IonicContact CE1-OD2 3.3Å; H181-D183 PolarHBondContact CE1-OD2 3.45Å; H181-D183 PolarHBondContact ND1-N 3.25Å; H181-D183 IonicContact ND1-OD1 2.75Å; H181-D183 IonicContact ND1-OD2 3.5Å; H181-D183 PolarHBondContact ND1-OD2 3.36Å; H181-D183 PolarHBondContact O-N 2.81Å; H181-C184 WeakPolarHBondContact O-CB 3.39Å; H181-C184 PolarHBondContact O-N 3.18Å; H181-D185 PolarHBondContact O-N 3.3Å; H181-F216 CarbonylContact C-O 3.5Å; H181-F216 WeakPolarHBondContact CA-O 3.46Å; H181-F216 HydrophobicContact CB-CE2 4.5Å; H181-F216 HydrophobicContact CB-CZ 4.33Å; H181-F216 PolarHBondContact CD2-O 2.04Å; H181-F216 VanDerWaalsContact CD2-O 3.3Å; H181-F218 AromaticContact CD2-CE2 3.99Å; H181-F218 AromaticContact NE2-CD2 3.91Å
182C97Very high94.5Very high5 Ų545.5 Ų45.53%0.03423%0.234CC..Hα-helixtrans-58.4-35.8-175.4-690000113.6C184 D185 E186 C215 F216 D217C182-C184 VanDerWaalsContact C-N 3.31Å; C182-C184 PolarHBondContact O-N 3.44Å; C182-D185 PolarHBondContact O-N 2.97Å; C182-E186 WeakPolarHBondContact O-CG 3.15Å; C182-E186 PolarHBondContact O-N 3.44Å; C182-C215 WeakPolarHBondContact CA-SG 3.3Å; C182-C215 HydrophobicContact CB-CB 3.87Å; C182-C215 WeakPolarHBondContact CB-SG 3.47Å; C182-C215 VanDerWaalsContact SG-C 3.54Å; C182-C215 WeakPolarHBondContact SG-CB 3.14Å; C182-C215 CovalentContact SG-SG 2.05Å; C182-C215 PolarHBondContact SG-SG 2.75Å; C182-F216 PolarHBondContact N-O 2.61Å; C182-F216 VanDerWaalsContact SG-C 3.57Å; C182-F216 PolarHBondContact SG-N 3.36Å; C182-F216 VanDerWaalsContact SG-N 3.44Å; C182-D217 WeakPolarHBondContact CB-OD1 3.45Å
183D96.7Very high94.4Very high91 Ų9148.4 Ų48.449%0.48724%0.24SC..Hα-helixtrans-55.9-43.4173.8-59.9-21.1000112.6H181 E186 E187H181-D183 VanDerWaalsContact C-N 3.27Å; H181-D183 IonicContact CE1-OD1 2.79Å; H181-D183 IonicContact CE1-OD2 3.3Å; H181-D183 PolarHBondContact CE1-OD2 3.45Å; H181-D183 PolarHBondContact ND1-N 3.25Å; H181-D183 IonicContact ND1-OD1 2.75Å; H181-D183 IonicContact ND1-OD2 3.5Å; H181-D183 PolarHBondContact ND1-OD2 3.36Å; H181-D183 PolarHBondContact O-N 2.81Å; D183-E186 PolarHBondContact O-N 3.19Å; D183-E187 WeakPolarHBondContact O-CG 3.48Å; D183-E187 PolarHBondContact O-N 2.85Å
184C96.9Very high94.4Very high16 Ų1656.5 Ų56.511%0.10828%0.277CS..Hα-helixtrans-66.5-40.6179.2-63.20000111.6C158 C180 H181 C182 E187 L188C158-C184 HydrophobicContact CB-CB 3.75Å; C158-C184 WeakPolarHBondContact CB-SG 3.35Å; C158-C184 WeakPolarHBondContact SG-CB 3.38Å; C158-C184 CovalentContact SG-SG 2.04Å; C158-C184 PolarHBondContact SG-SG 3.46Å; C180-C184 HydrophobicContact CB-CB 4.37Å; H181-C184 WeakPolarHBondContact O-CB 3.39Å; H181-C184 PolarHBondContact O-N 3.18Å; C182-C184 VanDerWaalsContact C-N 3.31Å; C182-C184 PolarHBondContact O-N 3.44Å; C184-E187 PolarHBondContact O-N 2.83Å; C184-L188 WeakPolarHBondContact O-CB 3.21Å; C184-L188 PolarHBondContact O-N 2.83Å
185D96.1Very high94.4Very high4 Ų450.3 Ų50.32%0.02125%0.252CS..Hα-helixtrans-67.6-37.1177.5-85.924.9000111.4H155 H181 C182 L188 K189 F208 C215H155-D185 IonicContact CD2-OD1 3.03Å; H155-D185 IonicContact CE1-OD1 3.65Å; H155-D185 IonicContact NE2-OD1 3.76Å; H155-D185 PolarHBondContact NE2-OD1 3.26Å; H181-D185 PolarHBondContact O-N 3.3Å; C182-D185 PolarHBondContact O-N 2.97Å; D185-L188 PolarHBondContact O-N 2.94Å; D185-K189 WeakPolarHBondContact O-CG 3.48Å; D185-K189 PolarHBondContact O-N 2.75Å; D185-F208 HydrophobicContact CB-CE1 4.16Å; D185-C215 HydrophobicContact CB-CB 4.15Å
186E95.2Very high94.4Very high125 Ų12550 Ų5058%0.58426%0.255SS*.Hα-helixtrans-66.6-43.6174.6-75.3-175.1-174.300112.2C182 D183 L188 K189 A190C182-E186 WeakPolarHBondContact O-CG 3.15Å; C182-E186 PolarHBondContact O-N 3.44Å; D183-E186 PolarHBondContact O-N 3.19Å; E186-L188 VanDerWaalsContact C-N 3.32Å; E186-L188 PolarHBondContact O-N 3.45Å; E186-K189 WeakPolarHBondContact O-CB 3.48Å; E186-K189 PolarHBondContact O-N 3.47Å; E186-A190 WeakPolarHBondContact O-CB 3.29Å; E186-A190 PolarHBondContact O-N 2.9Å
187E96.1Very high94.5Very high123 Ų12351.4 Ų51.458%0.57527%0.268SS*.Hα-helixtrans-60.8-41.8173.3-74.9-179.6-178.700111.6D183 C184 A190 C191D183-E187 WeakPolarHBondContact O-CG 3.48Å; D183-E187 PolarHBondContact O-N 2.85Å; C184-E187 PolarHBondContact O-N 2.83Å; E187-A190 PolarHBondContact O-N 2.86Å; E187-C191 VanDerWaalsContact O-CB 3.3Å; E187-C191 WeakPolarHBondContact O-CB 3.26Å; E187-C191 PolarHBondContact O-N 3.06Å
188L95.8Very high94.6Very high8 Ų853.6 Ų53.64%0.04228%0.282CS..Hα-helixtrans-60.5-46.8174.4177.161.7000111.1C151 H155 C184 D185 E186 A190 C191 L192 F207 F208C151-L188 HydrophobicContact CB-CD1 3.97Å; H155-L188 HydrophobicContact CB-CB 4.26Å; H155-L188 HydrophobicContact CB-CD1 4.12Å; H155-L188 HydrophobicContact CB-CD2 4.12Å; H155-L188 HydrophobicContact CB-CG 4.39Å; C184-L188 WeakPolarHBondContact O-CB 3.21Å; C184-L188 PolarHBondContact O-N 2.83Å; D185-L188 PolarHBondContact O-N 2.94Å; E186-L188 VanDerWaalsContact C-N 3.32Å; E186-L188 PolarHBondContact O-N 3.45Å; L188-A190 VanDerWaalsContact C-N 3.34Å; L188-A190 PolarHBondContact O-N 2.74Å; L188-C191 PolarHBondContact O-N 2.95Å; L188-L192 HydrophobicContact CD1-CD1 3.78Å; L188-L192 HydrophobicContact CD1-CD2 4.45Å; L188-L192 HydrophobicContact CD1-CG 3.89Å; L188-L192 HydrophobicContact CG-CD1 3.89Å; L188-L192 HydrophobicContact CG-CG 4.38Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 2.99Å; L188-L192 PolarHBondContact O-N 2.89Å; L188-F207 HydrophobicContact CD2-CD1 4.42Å; L188-F207 HydrophobicContact CD2-CE1 4.38Å; L188-F208 HydrophobicContact CB-CZ 4.34Å; L188-F208 HydrophobicContact CD2-CE2 4.18Å; L188-F208 HydrophobicContact CD2-CZ 3.82Å; L188-F208 HydrophobicContact CG-CE2 4.26Å; L188-F208 HydrophobicContact CG-CZ 4.08Å
189K94.3Very high94.6Very high22 Ų2251.6 Ų51.610%0.09627%0.269CS..Hα-helixtrans-58.5-46.4176.1-72.2176.6-168.6178.80111.5D185 E186 R193 F208 V248 Y250D185-K189 WeakPolarHBondContact O-CG 3.48Å; D185-K189 PolarHBondContact O-N 2.75Å; E186-K189 WeakPolarHBondContact O-CB 3.48Å; E186-K189 PolarHBondContact O-N 3.47Å; K189-R193 WeakPolarHBondContact O-CB 3.47Å; K189-R193 VanDerWaalsContact O-CG 3.27Å; K189-R193 WeakPolarHBondContact O-CG 3.49Å; K189-R193 PolarHBondContact O-N 3.17Å; K189-F208 HydrophobicContact CB-CE2 4.46Å; K189-F208 HydrophobicContact CD-CD1 4.34Å; K189-F208 HydrophobicContact CD-CE1 4.13Å; K189-F208 HydrophobicContact CD-CE2 4.39Å; K189-F208 HydrophobicContact CD-CZ 4.17Å; K189-F208 HydrophobicContact CG-CD1 4.3Å; K189-F208 HydrophobicContact CG-CD2 3.89Å; K189-F208 HydrophobicContact CG-CE1 3.84Å; K189-F208 HydrophobicContact CG-CE2 3.39Å; K189-F208 HydrophobicContact CG-CG 4.32Å; K189-F208 HydrophobicContact CG-CZ 3.36Å; K189-V248 PolarHBondContact NZ-O 3.42Å; K189-Y250 HydrophobicContact CB-CD2 4.24Å; K189-Y250 HydrophobicContact CB-CE2 4.28Å; K189-Y250 HydrophobicContact CG-CD2 3.96Å; K189-Y250 HydrophobicContact CG-CE2 4.42Å
190A94.9Very high94.5Very high56 Ų5651.6 Ų51.646%0.46327%0.269SS..Hα-helixtrans-62.9-44.7-179.700000111.2E186 E187 L188 R193 Q194E186-A190 WeakPolarHBondContact O-CB 3.29Å; E186-A190 PolarHBondContact O-N 2.9Å; E187-A190 PolarHBondContact O-N 2.86Å; L188-A190 VanDerWaalsContact C-N 3.34Å; L188-A190 PolarHBondContact O-N 2.74Å; A190-R193 PolarHBondContact O-N 2.96Å; A190-Q194 WeakPolarHBondContact O-CB 3.48Å; A190-Q194 PolarHBondContact O-N 2.82Å
191C97Very high94.4Very high41 Ų4152.9 Ų52.928%0.27727%0.273SS..Hα-helixtrans-61.5-51.1177.8-169.60000111.5C151 E187 L188 R193 Q194 V195C151-C191 WeakPolarHBondContact CA-SG 3.46Å; C151-C191 HydrophobicContact CB-CB 3.73Å; C151-C191 WeakPolarHBondContact CB-SG 3.22Å; C151-C191 WeakPolarHBondContact SG-CB 3.47Å; C151-C191 CovalentContact SG-SG 2.04Å; C151-C191 PolarHBondContact SG-SG 2.86Å; E187-C191 VanDerWaalsContact O-CB 3.3Å; E187-C191 WeakPolarHBondContact O-CB 3.26Å; E187-C191 PolarHBondContact O-N 3.06Å; L188-C191 PolarHBondContact O-N 2.95Å; C191-R193 VanDerWaalsContact C-N 3.28Å; C191-R193 PolarHBondContact O-N 3.22Å; C191-Q194 WeakPolarHBondContact O-CB 3.03Å; C191-Q194 PolarHBondContact O-N 3.45Å; C191-V195 WeakPolarHBondContact O-CG2 3.35Å; C191-V195 PolarHBondContact O-N 2.93Å
192L95.3Very high94.1Very high0 Ų052.1 Ų52.10%027%0.269CS..Hα-helixtrans-62.5-34.9179.8-67.4173.8000112.6T148 C151 L188 N196 S200 V203 F208 Y250 Y252T148-L192 HydrophobicContact CG2-CD2 3.97Å; C151-L192 HydrophobicContact CB-CD2 3.97Å; C151-L192 HydrophobicContact CB-CG 4.32Å; L188-L192 HydrophobicContact CD1-CD1 3.78Å; L188-L192 HydrophobicContact CD1-CD2 4.45Å; L188-L192 HydrophobicContact CD1-CG 3.89Å; L188-L192 HydrophobicContact CG-CD1 3.89Å; L188-L192 HydrophobicContact CG-CG 4.38Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 2.99Å; L188-L192 PolarHBondContact O-N 2.89Å; L192-N196 PolarHBondContact O-N 3.13Å; L192-S200 WeakPolarHBondContact O-CB 3.41Å; L192-S200 PolarHBondContact O-OG 3.06Å; L192-V203 HydrophobicContact CD1-CG1 4.25Å; L192-V203 HydrophobicContact CD2-CG1 4.36Å; L192-F208 HydrophobicContact CD1-CE2 4.37Å; L192-Y250 VanDerWaalsContact C-OH 3.22Å; L192-Y250 HydrophobicContact CB-CE2 4.32Å; L192-Y250 VanDerWaalsContact CB-OH 3.26Å; L192-Y250 WeakPolarHBondContact CB-OH 3.2Å; L192-Y250 PolarHBondContact O-OH 3.43Å; L192-Y252 PolarHBondContact O-OH 3.22Å
193R92.9Very high94Very high114 Ų11452.4 Ų52.443%0.4327%0.271SS..Hα-helixtrans-66.3-39.7173.2-79.3169.8172.2169.3-2.4112.3K189 A190 C191 N196 Y250 D251K189-R193 WeakPolarHBondContact O-CB 3.47Å; K189-R193 VanDerWaalsContact O-CG 3.27Å; K189-R193 WeakPolarHBondContact O-CG 3.49Å; K189-R193 PolarHBondContact O-N 3.17Å; A190-R193 PolarHBondContact O-N 2.96Å; C191-R193 VanDerWaalsContact C-N 3.28Å; C191-R193 PolarHBondContact O-N 3.22Å; R193-N196 PolarHBondContact O-N 3Å; R193-Y250 HydrophobicContact CG-CE2 3.75Å; R193-Y250 PolarHBondContact N-OH 3.03Å; R193-D251 PolarHBondContact NE-O 3.43Å; R193-D251 PolarHBondContact NH2-O 3.39Å
194Q94.1Very high93.8Very high170 Ų17048.1 Ų48.179%0.79425%0.248SC*.Hα-helixtrans-67.6-38.5179.3-174.1175.37.100111.9A190 C191 N196A190-Q194 WeakPolarHBondContact O-CB 3.48Å; A190-Q194 PolarHBondContact O-N 2.82Å; C191-Q194 WeakPolarHBondContact O-CB 3.03Å; C191-Q194 PolarHBondContact O-N 3.45Å; Q194-N196 VanDerWaalsContact C-N 3.33Å
195V94.4Very high93.5Very high30 Ų3048.4 Ų48.418%0.18225%0.248CC..Hα-helixtrans-64-38.9175.9177.20000111.3D147 C191 D197D147-V195 HydrophobicContact CB-CG1 3.94Å; D147-V195 HydrophobicContact CB-CG2 3.91Å; C191-V195 WeakPolarHBondContact O-CG2 3.35Å; C191-V195 PolarHBondContact O-N 2.93Å; V195-D197 HydrophobicContact CG1-CB 4.21Å; V195-D197 PolarHBondContact O-N 2.77Å
196N89.9Confident93.3Very high84 Ų8448.2 Ų48.245%0.44925%0.247SC..  trans59.314.1170.5-164.327.7000116.6L192 R193 Q194 R201 Y252L192-N196 PolarHBondContact O-N 3.13Å; R193-N196 PolarHBondContact O-N 3Å; Q194-N196 VanDerWaalsContact C-N 3.33Å; N196-R201 PolarHBondContact OD1-NH2 3.12Å; N196-Y252 WeakPolarHBondContact CA-OH 3.2Å; N196-Y252 HydrophobicContact CB-CE1 4.22Å; N196-Y252 PolarHBondContact N-OH 2.73Å; N196-Y252 WeakPolarHBondContact OD1-CD1 3.21Å; N196-Y252 WeakPolarHBondContact OD1-CE1 3.38Å
197D89.3Confident93.1Very high92 Ų9244.2 Ų44.249%0.49223%0.227SC..SBendtrans-94.2169-178.7-79.7-10.4000114.3V195 S199 S200 R201 Y252V195-D197 HydrophobicContact CG1-CB 4.21Å; V195-D197 PolarHBondContact O-N 2.77Å; D197-S199 VanDerWaalsContact C-N 3.27Å; D197-S199 PolarHBondContact O-N 3.4Å; D197-S200 PolarHBondContact N-OG 3.3Å; D197-S200 PolarHBondContact O-N 3.26Å; D197-S200 PolarHBondContact O-OG 3.03Å; D197-R201 VanDerWaalsContact O-CG 3.29Å; D197-R201 WeakPolarHBondContact O-CG 3.06Å; D197-R201 PolarHBondContact O-N 3.41Å; D197-Y252 PolarHBondContact N-OH 2.97Å; D197-Y252 PolarHBondContact O-OH 3.01Å; D197-Y252 VanDerWaalsContact O-OH 3.09Å
198T90.9Very high92.9Very high70 Ų7038.6 Ų38.643%0.42920%0.201SC..Hα-helixtrans-56-40.2178.3-56.30000112.5R201 V202 P291T198-R201 WeakPolarHBondContact O-CB 3.26Å; T198-R201 PolarHBondContact O-N 2.79Å; T198-V202 WeakPolarHBondContact O-CG2 3Å; T198-V202 PolarHBondContact O-N 3.45Å; T198-V202 VanDerWaalsContact O-N 3.08Å; T198-P291 HydrophobicContact CG2-CG 4.06Å
199S91.9Very high92.6Very high5 Ų541.5 Ų41.54%0.03522%0.216CC..Hα-helixtrans-66.2-47.2179.755.60000111.4T148 D197 R201 V202 V203T148-S199 PolarHBondContact OG1-OG 3.3Å; D197-S199 VanDerWaalsContact C-N 3.27Å; D197-S199 PolarHBondContact O-N 3.4Å; S199-R201 VanDerWaalsContact C-N 3.32Å; S199-R201 PolarHBondContact O-N 3.43Å; S199-V202 PolarHBondContact O-N 2.66Å; S199-V203 WeakPolarHBondContact O-CB 3.32Å; S199-V203 VanDerWaalsContact O-CG2 3.32Å; S199-V203 WeakPolarHBondContact O-CG2 3.44Å; S199-V203 PolarHBondContact O-N 3.21Å
200S92.9Very high92.4Very high0 Ų043 Ų430%023%0.227CC..Hα-helixtrans-67.6-29.4177.451.80000112.9T148 L192 D197 G204 Y252T148-S200 PolarHBondContact OG1-N 3.49Å; L192-S200 WeakPolarHBondContact O-CB 3.41Å; L192-S200 PolarHBondContact O-OG 3.06Å; D197-S200 PolarHBondContact N-OG 3.3Å; D197-S200 PolarHBondContact O-N 3.26Å; D197-S200 PolarHBondContact O-OG 3.03Å; S200-G204 PolarHBondContact O-N 3.5Å; S200-Y252 PolarHBondContact OG-OH 2.87Å
201R92.5Very high92.1Very high35 Ų3542.2 Ų42.213%0.13222%0.215CC..Hα-helixtrans-59.8-54.2168.8-72.8174.3-173.2-153.2-7111.7N196 D197 T198 S199 Q205 Y252 E290 V296N196-R201 PolarHBondContact OD1-NH2 3.12Å; D197-R201 VanDerWaalsContact O-CG 3.29Å; D197-R201 WeakPolarHBondContact O-CG 3.06Å; D197-R201 PolarHBondContact O-N 3.41Å; T198-R201 WeakPolarHBondContact O-CB 3.26Å; T198-R201 PolarHBondContact O-N 2.79Å; S199-R201 VanDerWaalsContact C-N 3.32Å; S199-R201 PolarHBondContact O-N 3.43Å; R201-Q205 WeakPolarHBondContact O-CB 3.27Å; R201-Q205 WeakPolarHBondContact O-CG 3.38Å; R201-Q205 PolarHBondContact O-N 3.31Å; R201-Y252 HydrophobicContact CB-CD2 4.26Å; R201-Y252 HydrophobicContact CB-CE2 3.89Å; R201-Y252 HydrophobicContact CG-CD1 3.6Å; R201-Y252 HydrophobicContact CG-CD2 3.59Å; R201-Y252 HydrophobicContact CG-CE1 3.2Å; R201-Y252 HydrophobicContact CG-CE2 3.25Å; R201-Y252 HydrophobicContact CG-CG 3.76Å; R201-Y252 WeakPolarHBondContact CG-OH 3.42Å; R201-Y252 PolarHBondContact N-OH 2.97Å; R201-E290 IonicContact CZ-OE1 3.34Å; R201-E290 IonicContact NH1-OE1 2.73Å; R201-E290 PolarHBondContact NH1-OE1 3.18Å; R201-E290 IonicContact NH2-OE1 3.39Å; R201-E290 PolarHBondContact NH2-OE1 3.04Å; R201-V296 HydrophobicContact CB-CG1 3.97Å
202V92.6Very high91.7Very high4 Ų441.7 Ų41.72%0.02422%0.216CC..Hα-helixtrans-65.9-46.1-176.5176.10000110.6Y124 T198 S199 Q205 A206 V296 A299 A300Y124-V202 HydrophobicContact CD2-CG1 4.28Å; Y124-V202 HydrophobicContact CE2-CB 4.02Å; Y124-V202 HydrophobicContact CE2-CG1 3.61Å; T198-V202 WeakPolarHBondContact O-CG2 3Å; T198-V202 PolarHBondContact O-N 3.45Å; T198-V202 VanDerWaalsContact O-N 3.08Å; S199-V202 PolarHBondContact O-N 2.66Å; V202-Q205 PolarHBondContact O-N 2.89Å; V202-A206 WeakPolarHBondContact O-CB 3.49Å; V202-A206 PolarHBondContact O-N 3.22Å; V202-V296 HydrophobicContact CG2-CG1 3.84Å; V202-A299 HydrophobicContact CG1-CB 4.01Å; V202-A299 HydrophobicContact CG2-CB 4.04Å; V202-A300 HydrophobicContact CG1-CB 4.39Å
203V93.5Very high91.5Very high11 Ų1141.8 Ų41.87%0.06722%0.217CC..Hα-helixtrans-60.3-48.4178.3170.30000111.1Y124 C130 T148 L192 S199 A206 F207Y124-V203 HydrophobicContact CD1-CG2 4.05Å; Y124-V203 HydrophobicContact CD2-CG2 4.13Å; Y124-V203 HydrophobicContact CG-CG2 3.76Å; C130-V203 HydrophobicContact CB-CG1 4.14Å; C130-V203 HydrophobicContact CB-CG2 4.1Å; T148-V203 HydrophobicContact CG2-CB 4.43Å; T148-V203 HydrophobicContact CG2-CG2 4.16Å; L192-V203 HydrophobicContact CD1-CG1 4.25Å; L192-V203 HydrophobicContact CD2-CG1 4.36Å; S199-V203 WeakPolarHBondContact O-CB 3.32Å; S199-V203 VanDerWaalsContact O-CG2 3.32Å; S199-V203 WeakPolarHBondContact O-CG2 3.44Å; S199-V203 PolarHBondContact O-N 3.21Å; V203-A206 PolarHBondContact O-N 2.03Å; V203-F207 WeakPolarHBondContact O-CB 3.33Å; V203-F207 PolarHBondContact O-N 2.99Å
204G92.7Very high91.5Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-63.8-43.3179.700000113S200 F208 Y250S200-G204 PolarHBondContact O-N 3.5Å; G204-F208 VanDerWaalsContact O-CD2 3.31Å; G204-F208 WeakPolarHBondContact O-CD2 3.32Å; G204-F208 PolarHBondContact O-N 2.99Å; G204-Y250 VanDerWaalsContact C-CD1 3.4Å
205Q91.5Very high91.6Very high23 Ų2329.6 Ų29.611%0.10717%0.168CC..Hα-helixtrans-64.1-42.7175.1-75.8-163.10.300112.1R201 V202 F207 N209 V210 V296 V297 A300R201-Q205 WeakPolarHBondContact O-CB 3.27Å; R201-Q205 WeakPolarHBondContact O-CG 3.38Å; R201-Q205 PolarHBondContact O-N 3.31Å; V202-Q205 PolarHBondContact O-N 2.89Å; Q205-F207 PolarHBondContact O-N 3.47Å; Q205-N209 WeakPolarHBondContact O-CA 3.26Å; Q205-N209 WeakPolarHBondContact O-CB 3.45Å; Q205-N209 PolarHBondContact O-N 3.36Å; Q205-V210 PolarHBondContact O-N 3.33Å; Q205-V296 VanDerWaalsContact CD-CG1 3.48Å; Q205-V296 HydrophobicContact CG-CG1 4.16Å; Q205-V296 VanDerWaalsContact OE1-CG1 3.29Å; Q205-V297 VanDerWaalsContact OE1-CG2 3.23Å; Q205-A300 HydrophobicContact CB-CB 4.19Å
206A91.3Very high91.8Very high0 Ų028.2 Ų28.20%016%0.159CC..Iπ-helixtrans-59.8-47.817900000111.6V202 V203 I211 A300 F303 I304V202-A206 WeakPolarHBondContact O-CB 3.49Å; V202-A206 PolarHBondContact O-N 3.22Å; V203-A206 PolarHBondContact O-N 2.03Å; A206-I211 WeakPolarHBondContact O-CG1 3.31Å; A206-I211 PolarHBondContact O-N 3.31Å; A206-A300 HydrophobicContact CB-CB 3.85Å; A206-F303 HydrophobicContact CB-CD1 3.8Å; A206-F303 HydrophobicContact CB-CE1 4.37Å; A206-I304 HydrophobicContact CB-CD1 3.75Å; A206-I304 HydrophobicContact CB-CG1 4.26Å
207F91.8Very high92.1Very high41 Ų4126.3 Ų26.318%0.1815%0.149CC..Iπ-helixtrans-70.7-50.8-176.8-170.6-87000112.8H155 L188 V203 Q205 G212 V213H155-F207 AromaticContact CE1-CE2 3.96Å; H155-F207 AromaticContact CE1-CZ 3.61Å; L188-F207 HydrophobicContact CD2-CD1 4.42Å; L188-F207 HydrophobicContact CD2-CE1 4.38Å; V203-F207 WeakPolarHBondContact O-CB 3.33Å; V203-F207 PolarHBondContact O-N 2.99Å; Q205-F207 PolarHBondContact O-N 3.47Å; F207-G212 PolarHBondContact O-N 2.93Å; F207-V213 HydrophobicContact CD1-CB 4.32Å; F207-V213 HydrophobicContact CD1-CG2 4.44Å; F207-V213 HydrophobicContact CD2-CG2 4.19Å; F207-V213 HydrophobicContact CE1-CB 3.83Å; F207-V213 HydrophobicContact CE1-CG1 4.16Å; F207-V213 HydrophobicContact CE1-CG2 4.24Å; F207-V213 HydrophobicContact CE2-CB 4.34Å; F207-V213 HydrophobicContact CE2-CG1 4.43Å; F207-V213 HydrophobicContact CE2-CG2 3.97Å; F207-V213 HydrophobicContact CG-CG2 4.43Å; F207-V213 HydrophobicContact CZ-CB 3.83Å; F207-V213 HydrophobicContact CZ-CG1 3.8Å; F207-V213 HydrophobicContact CZ-CG2 4Å; F207-V213 PolarHBondContact O-N 3.19Å
208F91.7Very high92.5Very high4 Ų424.3 Ų24.32%0.01814%0.136CC..Iπ-helixtrans-94-26.6-169.7-63.8-66.4000114.9D185 L188 K189 L192 G204 Y250D185-F208 HydrophobicContact CB-CE1 4.16Å; L188-F208 HydrophobicContact CB-CZ 4.34Å; L188-F208 HydrophobicContact CD2-CE2 4.18Å; L188-F208 HydrophobicContact CD2-CZ 3.82Å; L188-F208 HydrophobicContact CG-CE2 4.26Å; L188-F208 HydrophobicContact CG-CZ 4.08Å; K189-F208 HydrophobicContact CB-CE2 4.46Å; K189-F208 HydrophobicContact CD-CD1 4.34Å; K189-F208 HydrophobicContact CD-CE1 4.13Å; K189-F208 HydrophobicContact CD-CE2 4.39Å; K189-F208 HydrophobicContact CD-CZ 4.17Å; K189-F208 HydrophobicContact CG-CD1 4.3Å; K189-F208 HydrophobicContact CG-CD2 3.89Å; K189-F208 HydrophobicContact CG-CE1 3.84Å; K189-F208 HydrophobicContact CG-CE2 3.39Å; K189-F208 HydrophobicContact CG-CG 4.32Å; K189-F208 HydrophobicContact CG-CZ 3.36Å; L192-F208 HydrophobicContact CD1-CE2 4.37Å; G204-F208 VanDerWaalsContact O-CD2 3.31Å; G204-F208 WeakPolarHBondContact O-CD2 3.32Å; G204-F208 PolarHBondContact O-N 2.99Å; F208-Y250 VanDerWaalsContact CB-CB 3.5Å; F208-Y250 HydrophobicContact CB-CG 4.49Å; F208-Y250 AromaticContact CD2-CD2 3.93Å; F208-Y250 HydrophobicContact CD2-CD2 3.93Å; F208-Y250 AromaticContact CD2-CG 3.95Å; F208-Y250 HydrophobicContact CD2-CG 3.95Å; F208-Y250 HydrophobicContact CE2-CD2 4.39Å
209N89.8Confident92.7Very high69 Ų6922.5 Ų22.537%0.36913%0.129SC..Iπ-helixtrans-107.9-40.8-174.7-59.6-15.3000112.4Q205 P249 Y250Q205-N209 WeakPolarHBondContact O-CA 3.26Å; Q205-N209 WeakPolarHBondContact O-CB 3.45Å; Q205-N209 PolarHBondContact O-N 3.36Å; N209-P249 WeakPolarHBondContact OD1-CA 3.36Å; N209-Y250 PolarHBondContact ND2-O 2.97Å; N209-Y250 PolarHBondContact OD1-N 2.97Å
210V88.6Confident92.9Very high54 Ų5429.4 Ų29.433%0.32716%0.155SC..Iπ-helixtrans-85.6-53.1-177.6-177.10000111.4Q205 A300 E301 I304Q205-V210 PolarHBondContact O-N 3.33Å; V210-A300 HydrophobicContact CG2-CB 3.9Å; V210-E301 HydrophobicContact CG1-CG 4.21Å; V210-E301 HydrophobicContact CG2-CG 4.44Å; V210-I304 HydrophobicContact CB-CG1 4.04Å; V210-I304 HydrophobicContact CG1-CB 4.16Å; V210-I304 HydrophobicContact CG1-CG1 3.63Å; V210-I304 HydrophobicContact CG1-CG2 4.44Å
211I88.9Confident92.9Very high39 Ų3934.1 Ų34.120%0.218%0.177CC..Iπ-helixtrans-73.3-38.8173.8-59162.8000110W176 A206 V213 I304W176-I211 HydrophobicContact CH2-CD1 4.25Å; W176-I211 HydrophobicContact CH2-CG1 4.49Å; W176-I211 HydrophobicContact CZ2-CG1 4.39Å; W176-I211 HydrophobicContact CZ2-CG2 4.48Å; A206-I211 WeakPolarHBondContact O-CG1 3.31Å; A206-I211 PolarHBondContact O-N 3.31Å; I211-V213 HydrophobicContact CB-CG2 3.88Å; I211-V213 HydrophobicContact CD1-CG2 4.44Å; I211-V213 HydrophobicContact CG2-CG2 3.36Å; I211-I304 HydrophobicContact CD1-CD1 3.31Å; I211-I304 HydrophobicContact CD1-CG1 4.27Å; I211-I304 HydrophobicContact CG1-CD1 3.39Å; I211-I304 HydrophobicContact CG1-CG1 3.78Å; I211-I304 HydrophobicContact CG1-CG2 4.02Å
212G88.6Confident93Very high30 Ų3039.1 Ų39.131%0.30920%0.202SC..  trans62.345.7-174.600000111.2F207 P214F207-G212 PolarHBondContact O-N 2.93Å; G212-P214 VanDerWaalsContact O-CD 3.32Å; G212-P214 WeakPolarHBondContact O-CD 3.02Å; G212-P214 VanDerWaalsContact O-N 3.13Å
213V91.1Very high93Very high2 Ų242.7 Ų42.71%0.01222%0.218CC..  trans-58.4116.8179.7179.90000108.5S178 F207 I211 A247S178-V213 WeakPolarHBondContact O-CG1 3.48Å; F207-V213 HydrophobicContact CD1-CB 4.32Å; F207-V213 HydrophobicContact CD1-CG2 4.44Å; F207-V213 HydrophobicContact CD2-CG2 4.19Å; F207-V213 HydrophobicContact CE1-CB 3.83Å; F207-V213 HydrophobicContact CE1-CG1 4.16Å; F207-V213 HydrophobicContact CE1-CG2 4.24Å; F207-V213 HydrophobicContact CE2-CB 4.34Å; F207-V213 HydrophobicContact CE2-CG1 4.43Å; F207-V213 HydrophobicContact CE2-CG2 3.97Å; F207-V213 HydrophobicContact CG-CG2 4.43Å; F207-V213 HydrophobicContact CZ-CB 3.83Å; F207-V213 HydrophobicContact CZ-CG1 3.8Å; F207-V213 HydrophobicContact CZ-CG2 4Å; F207-V213 PolarHBondContact O-N 3.19Å; I211-V213 HydrophobicContact CB-CG2 3.88Å; I211-V213 HydrophobicContact CD1-CG2 4.44Å; I211-V213 HydrophobicContact CG2-CG2 3.36Å; V213-A247 WeakPolarHBondContact O-CB 3.43Å
214P93.8Very high93.1Very high13 Ų1344 Ų448%0.08423%0.228CC..  trans-70.7153.417331.8-33.1000109.3I179 G212 L244 R245I179-P214 HydrophobicContact CD1-CG 4.16Å; I179-P214 HydrophobicContact CG1-CG 4.36Å; I179-P214 WeakPolarHBondContact CG2-O 3.45Å; G212-P214 VanDerWaalsContact O-CD 3.32Å; G212-P214 WeakPolarHBondContact O-CD 3.02Å; G212-P214 VanDerWaalsContact O-N 3.13Å; P214-L244 HydrophobicContact CB-CD2 4.35Å; P214-L244 HydrophobicContact CG-CD1 4.42Å; P214-L244 HydrophobicContact CG-CD2 4.32Å; P214-R245 WeakPolarHBondContact CA-O 3.45Å; P214-R245 WeakPolarHBondContact CB-O 3.33Å
215C96Very high93.1Very high16 Ų1645.7 Ų45.711%0.10824%0.241CC..EExtended strand (participates in β ladder)trans-104.3175.6167.167.10000109.9C180 C182 D185 L244 R245C180-C215 WeakPolarHBondContact O-CA 3.08Å; C182-C215 WeakPolarHBondContact CA-SG 3.3Å; C182-C215 HydrophobicContact CB-CB 3.87Å; C182-C215 WeakPolarHBondContact CB-SG 3.47Å; C182-C215 VanDerWaalsContact SG-C 3.54Å; C182-C215 WeakPolarHBondContact SG-CB 3.14Å; C182-C215 CovalentContact SG-SG 2.05Å; C182-C215 PolarHBondContact SG-SG 2.75Å; D185-C215 HydrophobicContact CB-CB 4.15Å; C215-L244 CarbonylContact O-C 3.36Å; C215-L244 WeakPolarHBondContact O-CA 3.47Å; C215-R245 PolarHBondContact N-O 2.89Å; C215-R245 PolarHBondContact O-N 3.19Å
216F97.5Very high93.3Very high0 Ų048.2 Ų48.20%025%0.253CS..EExtended strand (participates in β ladder)trans-132.1150.4173.170.3-88.2000113.1H160 I162 Y169 I179 C180 H181 C182 F218 A242 V243 L244H160-F216 HydrophobicContact CB-CE2 4.38Å; H160-F216 HydrophobicContact CB-CZ 3.92Å; H160-F216 WeakPolarHBondContact O-CZ 3.45Å; I162-F216 HydrophobicContact CD1-CD1 4.13Å; I162-F216 HydrophobicContact CD1-CE1 4.15Å; I162-F216 HydrophobicContact CD1-CG 4.44Å; I162-F216 HydrophobicContact CD1-CZ 4.47Å; I162-F216 HydrophobicContact CG1-CD1 4.21Å; I162-F216 HydrophobicContact CG1-CE1 3.77Å; I162-F216 HydrophobicContact CG1-CZ 4.12Å; Y169-F216 HydrophobicContact CD2-CE2 4.02Å; Y169-F216 HydrophobicContact CD2-CZ 4.04Å; Y169-F216 HydrophobicContact CE2-CE2 4.24Å; Y169-F216 AromaticContact CE2-CZ 3.99Å; Y169-F216 HydrophobicContact CE2-CZ 3.99Å; I179-F216 HydrophobicContact CG2-CD1 3.72Å; I179-F216 WeakPolarHBondContact O-CE1 3.45Å; C180-F216 VanDerWaalsContact C-CD1 3.47Å; C180-F216 WeakPolarHBondContact O-CD1 3.3Å; C180-F216 PolarHBondContact O-N 3.36Å; H181-F216 CarbonylContact C-O 3.5Å; H181-F216 WeakPolarHBondContact CA-O 3.46Å; H181-F216 HydrophobicContact CB-CE2 4.5Å; H181-F216 HydrophobicContact CB-CZ 4.33Å; H181-F216 PolarHBondContact CD2-O 2.04Å; H181-F216 VanDerWaalsContact CD2-O 3.3Å; C182-F216 PolarHBondContact N-O 2.61Å; C182-F216 VanDerWaalsContact SG-C 3.57Å; C182-F216 PolarHBondContact SG-N 3.36Å; C182-F216 VanDerWaalsContact SG-N 3.44Å; F216-F218 HydrophobicContact CD2-CE1 4.41Å; F216-F218 HydrophobicContact CE2-CD1 4.36Å; F216-F218 AromaticContact CE2-CE1 3.74Å; F216-F218 HydrophobicContact CE2-CE1 3.74Å; F216-F218 AromaticContact CE2-CZ 3.93Å; F216-F218 HydrophobicContact CE2-CZ 3.93Å; F216-A242 HydrophobicContact CB-CB 4.09Å; F216-A242 HydrophobicContact CD2-CB 3.61Å; F216-A242 HydrophobicContact CE2-CB 4.23Å; F216-A242 HydrophobicContact CG-CB 3.93Å; F216-V243 VanDerWaalsContact CA-O 3.3Å; F216-V243 WeakPolarHBondContact CA-O 3.38Å; F216-L244 HydrophobicContact CB-CD2 4.15Å
217D97.3Very high93.5Very high45 Ų4556.1 Ų56.124%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-109.1161.2165.3-65.3-43.9000110C182 V243 R245C182-D217 WeakPolarHBondContact CB-OD1 3.45Å; D217-V243 PolarHBondContact N-O 2.93Å; D217-V243 PolarHBondContact O-N 3.35Å; D217-R245 WeakPolarHBondContact OD2-CG 3.45Å; D217-R245 IonicContact OD2-CZ 3.23Å; D217-R245 IonicContact OD2-NE 2.78Å; D217-R245 PolarHBondContact OD2-NE 3.28Å; D217-R245 IonicContact OD2-NH2 2.78Å; D217-R245 PolarHBondContact OD2-NH2 3.28Å
218F96.9Very high93.7Very high49 Ų4957.3 Ų57.322%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-83.6125.3168.3-66.4-55.3000112.4H160 Y169 H181 F216 Y220 P240H160-F218 HydrophobicContact CB-CE2 4.47Å; H160-F218 HydrophobicContact CB-CZ 4.13Å; H160-F218 AromaticContact CD2-CE2 3.62Å; H160-F218 AromaticContact CG-CE2 3.89Å; H160-F218 AromaticContact CG-CZ 3.78Å; H160-F218 AromaticContact NE2-CE2 3.91Å; Y169-F218 AromaticContact CD1-CE1 3.51Å; Y169-F218 HydrophobicContact CD1-CE1 3.51Å; Y169-F218 HydrophobicContact CD1-CZ 4.07Å; Y169-F218 AromaticContact CD2-CE1 3.98Å; Y169-F218 HydrophobicContact CD2-CE1 3.98Å; Y169-F218 HydrophobicContact CD2-CZ 4.46Å; Y169-F218 AromaticContact CE1-CE1 3.78Å; Y169-F218 HydrophobicContact CE1-CE1 3.78Å; Y169-F218 AromaticContact CE1-CZ 3.83Å; Y169-F218 HydrophobicContact CE1-CZ 3.83Å; Y169-F218 HydrophobicContact CE2-CE1 4.23Å; Y169-F218 HydrophobicContact CE2-CZ 4.25Å; Y169-F218 AromaticContact CG-CE1 3.62Å; Y169-F218 HydrophobicContact CG-CE1 3.62Å; Y169-F218 HydrophobicContact CG-CZ 4.38Å; Y169-F218 AromaticContact CZ-CZ 3.93Å; H181-F218 AromaticContact CD2-CE2 3.99Å; H181-F218 AromaticContact NE2-CD2 3.91Å; F216-F218 HydrophobicContact CD2-CE1 4.41Å; F216-F218 HydrophobicContact CE2-CD1 4.36Å; F216-F218 AromaticContact CE2-CE1 3.74Å; F216-F218 HydrophobicContact CE2-CE1 3.74Å; F216-F218 AromaticContact CE2-CZ 3.93Å; F216-F218 HydrophobicContact CE2-CZ 3.93Å; F218-Y220 HydrophobicContact CB-CE2 4.18Å; F218-P240 HydrophobicContact CB-CB 4.3Å; F218-P240 HydrophobicContact CD1-CB 3.62Å; F218-P240 HydrophobicContact CE1-CB 4.1Å; F218-P240 HydrophobicContact CG-CB 4.01Å
219A96.1Very high93.8Very high33 Ų3368.6 Ų68.627%0.27333%0.332SS..EExtended strand (participates in β ladder)trans-103.6135.1158.300000109.3I241 V243A219-I241 PolarHBondContact N-O 2.87Å; A219-I241 PolarHBondContact O-N 3.28Å; A219-V243 HydrophobicContact CB-CG2 3.49Å; A219-V243 VanDerWaalsContact CB-CG2 3.49Å
220Y95Very high94Very high149 Ų14971.4 Ų71.458%0.58434%0.338SS*.EExtended strand (participates in β ladder)trans-96.2111.2179.7-74.3-91000110.4F218 K238 F239 P240F218-Y220 HydrophobicContact CB-CE2 4.18Å; Y220-K238 HydrophobicContact CD1-CB 4.45Å; Y220-F239 WeakPolarHBondContact CA-O 3.42Å; Y220-P240 HydrophobicContact CD1-CB 4.37Å; Y220-P240 HydrophobicContact CE1-CB 3.93Å; Y220-P240 HydrophobicContact CE1-CG 4.48Å
221E93.4Very high94.2Very high100 Ų10070.5 Ų70.547%0.46734%0.34SS..EExtended strand (participates in β ladder)trans-108.9141.7-179.8-66.5-172.4178.200111.5Q223 K238 F239 I241E221-Q223 PolarHBondContact O-N 2.81Å; E221-K238 WeakPolarHBondContact O-CA 3.46Å; E221-F239 PolarHBondContact N-O 2.96Å; E221-F239 PolarHBondContact O-N 3.36Å; E221-I241 HydrophobicContact CB-CG1 4.14Å; E221-I241 HydrophobicContact CG-CG1 4.23Å
222E95Very high94.5Very high139 Ų13974.1 Ų74.165%0.6536%0.359SS*.EExtended strand (participates in β ladder)trans-74.2115174.6-74.1-172.7122.100110.4D237 K238E222-D237 WeakPolarHBondContact CA-O 3.47Å; E222-K238 HydrophobicContact CG-CG 3.8Å
223Q92.9Very high94.8Very high80 Ų8074 Ų7437%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-124.9158.5175.8-56.5-174.20.400110.5E221 A225 Y236 D237 F239 I241E221-Q223 PolarHBondContact O-N 2.81Å; Q223-A225 PolarHBondContact O-N 3.06Å; Q223-Y236 WeakPolarHBondContact O-CA 3.38Å; Q223-D237 PolarHBondContact N-O 3.17Å; Q223-D237 PolarHBondContact O-N 3.36Å; Q223-F239 HydrophobicContact CB-CD2 3.79Å; Q223-F239 HydrophobicContact CB-CE2 4.27Å; Q223-F239 HydrophobicContact CG-CD2 4.45Å; Q223-I241 VanDerWaalsContact NE2-CD1 3.25Å
224C94.3Very high95.1Very high39 Ų3979.1 Ų79.126%0.26438%0.375SS..EExtended strand (participates in β ladder)trans-71.7104.4178.9-171.10000110.8E226 R227 C233 R235 Y236C224-E226 PolarHBondContact SG-O 3.36Å; C224-R227 VanDerWaalsContact SG-CG 3.51Å; C224-C233 WeakPolarHBondContact CA-SG 3.37Å; C224-C233 HydrophobicContact CB-CB 3.86Å; C224-C233 WeakPolarHBondContact CB-SG 3.32Å; C224-C233 WeakPolarHBondContact SG-CA 3.44Å; C224-C233 WeakPolarHBondContact SG-CB 3.44Å; C224-C233 CovalentContact SG-SG 2.03Å; C224-C233 PolarHBondContact SG-SG 2.85Å; C224-R235 CarbonylContact C-O 3.52Å; C224-Y236 HydrophobicContact CB-CE1 4.32Å
225A93.9Very high95.2Very high35 Ų3584 Ų8429%0.28939%0.391SS..EExtended strand (participates in β ladder)trans-75.9-31.7179.500000112.7Q223 R235 D237 F239Q223-A225 PolarHBondContact O-N 3.06Å; A225-R235 PolarHBondContact N-O 2.94Å; A225-D237 HydrophobicContact CB-CB 3.82Å; A225-D237 WeakPolarHBondContact CB-OD2 3.45Å; A225-F239 HydrophobicContact CB-CE2 3.87Å; A225-F239 HydrophobicContact CB-CZ 3.86Å
226E95.3Very high95.2Very high76 Ų7690 Ų9036%0.35541%0.413SS..EExtended strand (participates in β ladder)trans-141.1131.9-179.2-166.3-173.7171.600109.9C224 K234 R235C224-E226 PolarHBondContact SG-O 3.36Å; E226-K234 HydrophobicContact CB-CB 4.44Å; E226-K234 HydrophobicContact CG-CB 4.49Å; E226-K234 HydrophobicContact CG-CD 4.27Å; E226-K234 WeakPolarHBondContact O-CA 3.48Å; E226-K234 WeakPolarHBondContact O-CB 3.23Å; E226-K234 PolarHBondContact O-N 2.74Å; E226-K234 IonicContact OE1-NZ 2.71Å; E226-K234 PolarHBondContact OE1-NZ 2.7Å; E226-K234 IonicContact OE2-NZ 3.34Å; E226-K234 PolarHBondContact OE2-NZ 3.35Å; E226-R235 HydrophobicContact CB-CB 4.14Å; E226-R235 PolarHBondContact N-O 3.44Å; E226-R235 PolarHBondContact O-N 3.38Å
227R96.5Very high95.2Very high166 Ų16692.5 Ų92.563%0.62643%0.426SS*.EExtended strand (participates in β ladder)trans-110147.3177.5-63.6-17994.4113.8-0.5110.9C224 G231 L232C224-R227 VanDerWaalsContact SG-CG 3.51Å; R227-G231 PolarHBondContact NE-O 2.82Å; R227-G231 VanDerWaalsContact NE-O 3.07Å; R227-G231 PolarHBondContact NH2-O 3.38Å; R227-L232 WeakPolarHBondContact CA-O 3.3Å
228H95.6Very high95.1Very high65 Ų6596.9 Ų96.930%0.30144%0.443SS..  trans-69.6158.1163.7-66.6-74.6000110.7Y230 G231 L232 K234H228-Y230 HydrophobicContact CB-CD1 3.91Å; H228-Y230 HydrophobicContact CB-CD2 4.27Å; H228-Y230 HydrophobicContact CB-CE1 3.51Å; H228-Y230 HydrophobicContact CB-CE2 3.91Å; H228-Y230 HydrophobicContact CB-CG 4.27Å; H228-Y230 VanDerWaalsContact CB-CZ 3.5Å; H228-Y230 AromaticContact CD2-CZ 3.91Å; H228-Y230 PolarHBondContact CD2-OH 3.41Å; H228-Y230 AromaticContact CG-CE1 3.9Å; H228-Y230 AromaticContact CG-CZ 3.6Å; H228-Y230 PolarHBondContact O-N 3.36Å; H228-Y230 VanDerWaalsContact O-N 3.12Å; H228-G231 PolarHBondContact O-N 3.14Å; H228-L232 PolarHBondContact N-O 2.93Å; H228-K234 WeakPolarHBondContact NE2-CB 3.31Å
229W94.3Very high94.9Very high242 Ų24298.4 Ų98.492%0.91745%0.45SS*.THydrogen-bonded Turntrans-59-25.1179.171.3-92.3000113.8
230Y93.7Very high94.9Very high128 Ų12898.9 Ų98.950%0.50245%0.45SS..THydrogen-bonded Turntrans-92.812.6176.554.5-94.4000113.9H228 L232H228-Y230 HydrophobicContact CB-CD1 3.91Å; H228-Y230 HydrophobicContact CB-CD2 4.27Å; H228-Y230 HydrophobicContact CB-CE1 3.51Å; H228-Y230 HydrophobicContact CB-CE2 3.91Å; H228-Y230 HydrophobicContact CB-CG 4.27Å; H228-Y230 VanDerWaalsContact CB-CZ 3.5Å; H228-Y230 AromaticContact CD2-CZ 3.91Å; H228-Y230 PolarHBondContact CD2-OH 3.41Å; H228-Y230 AromaticContact CG-CE1 3.9Å; H228-Y230 AromaticContact CG-CZ 3.6Å; H228-Y230 PolarHBondContact O-N 3.36Å; H228-Y230 VanDerWaalsContact O-N 3.12Å; Y230-L232 HydrophobicContact CD2-CB 4.09Å; Y230-L232 HydrophobicContact CD2-CD1 3.73Å; Y230-L232 HydrophobicContact CD2-CG 4.48Å; Y230-L232 HydrophobicContact CE2-CB 3.69Å; Y230-L232 HydrophobicContact CE2-CD1 3.52Å; Y230-L232 HydrophobicContact CE2-CG 4.21Å
231G91.6Very high94.9Very high35 Ų3592.9 Ų92.936%0.36143%0.428SS..SBendtrans94.7-13165.500000117.2R227 H228R227-G231 PolarHBondContact NE-O 2.82Å; R227-G231 VanDerWaalsContact NE-O 3.07Å; R227-G231 PolarHBondContact NH2-O 3.38Å; H228-G231 PolarHBondContact O-N 3.14Å
232L95.4Very high95.1Very high115 Ų11588.5 Ų88.560%0.60241%0.408SS*.  trans-72.3147.7172.6-90.2129.9000111.7R227 H228 Y230 K234R227-L232 WeakPolarHBondContact CA-O 3.3Å; H228-L232 PolarHBondContact N-O 2.93Å; Y230-L232 HydrophobicContact CD2-CB 4.09Å; Y230-L232 HydrophobicContact CD2-CD1 3.73Å; Y230-L232 HydrophobicContact CD2-CG 4.48Å; Y230-L232 HydrophobicContact CE2-CB 3.69Å; Y230-L232 HydrophobicContact CE2-CD1 3.52Å; Y230-L232 HydrophobicContact CE2-CG 4.21Å; L232-K234 PolarHBondContact O-N 2.67Å
233C96.2Very high95.2Very high26 Ų2684.5 Ų84.518%0.17639%0.393CS..EExtended strand (participates in β ladder)trans-71.8129.8176.3-165.30000111.1C224 R235 Y236C224-C233 WeakPolarHBondContact CA-SG 3.37Å; C224-C233 HydrophobicContact CB-CB 3.86Å; C224-C233 WeakPolarHBondContact CB-SG 3.32Å; C224-C233 WeakPolarHBondContact SG-CA 3.44Å; C224-C233 WeakPolarHBondContact SG-CB 3.44Å; C224-C233 CovalentContact SG-SG 2.03Å; C224-C233 PolarHBondContact SG-SG 2.85Å; C233-R235 PolarHBondContact SG-O 2.76Å; C233-Y236 HydrophobicContact CB-CD2 4.42Å; C233-Y236 HydrophobicContact CB-CE1 4.2Å; C233-Y236 HydrophobicContact CB-CE2 3.6Å; C233-Y236 VanDerWaalsContact CB-CZ 3.47Å; C233-Y236 WeakPolarHBondContact CB-OH 3.11Å; C233-Y236 VanDerWaalsContact SG-CE2 3.54Å; C233-Y236 VanDerWaalsContact SG-CZ 3.59Å
234K95.7Very high95.4Very high111 Ų11183.3 Ų83.348%0.48339%0.39SS..EExtended strand (participates in β ladder)trans-90-39.5174.7-178.1176.8164.1-156.10111.4E226 H228 L232E226-K234 HydrophobicContact CB-CB 4.44Å; E226-K234 HydrophobicContact CG-CB 4.49Å; E226-K234 HydrophobicContact CG-CD 4.27Å; E226-K234 WeakPolarHBondContact O-CA 3.48Å; E226-K234 WeakPolarHBondContact O-CB 3.23Å; E226-K234 PolarHBondContact O-N 2.74Å; E226-K234 IonicContact OE1-NZ 2.71Å; E226-K234 PolarHBondContact OE1-NZ 2.7Å; E226-K234 IonicContact OE2-NZ 3.34Å; E226-K234 PolarHBondContact OE2-NZ 3.35Å; H228-K234 WeakPolarHBondContact NE2-CB 3.31Å; L232-K234 PolarHBondContact O-N 2.67Å
235R96.9Very high95.4Very high114 Ų11487.6 Ų87.643%0.4340%0.4SS..EExtended strand (participates in β ladder)trans-146.6132.7-176-167.5170.766.986.714.1111.3C224 A225 E226 C233 D237C224-R235 CarbonylContact C-O 3.52Å; A225-R235 PolarHBondContact N-O 2.94Å; E226-R235 HydrophobicContact CB-CB 4.14Å; E226-R235 PolarHBondContact N-O 3.44Å; E226-R235 PolarHBondContact O-N 3.38Å; C233-R235 PolarHBondContact SG-O 2.76Å; R235-D237 IonicContact CZ-OD1 2.75Å; R235-D237 IonicContact CZ-OD2 3.45Å; R235-D237 IonicContact NH1-OD1 2.83Å; R235-D237 PolarHBondContact NH1-OD1 3.05Å; R235-D237 IonicContact NH1-OD2 2.81Å; R235-D237 PolarHBondContact NH1-OD2 3.45Å; R235-D237 IonicContact NH2-OD2 2.65Å; R235-D237 PolarHBondContact NH2-OD2 3.03Å
236Y95.8Very high95.1Very high143 Ų14394.6 Ų94.656%0.56143%0.427SS*.EExtended strand (participates in β ladder)trans-101.2134.8173.3-68.6-91.9000109.4Q223 C224 C233Q223-Y236 WeakPolarHBondContact O-CA 3.38Å; C224-Y236 HydrophobicContact CB-CE1 4.32Å; C233-Y236 HydrophobicContact CB-CD2 4.42Å; C233-Y236 HydrophobicContact CB-CE1 4.2Å; C233-Y236 HydrophobicContact CB-CE2 3.6Å; C233-Y236 VanDerWaalsContact CB-CZ 3.47Å; C233-Y236 WeakPolarHBondContact CB-OH 3.11Å; C233-Y236 VanDerWaalsContact SG-CE2 3.54Å; C233-Y236 VanDerWaalsContact SG-CZ 3.59Å
237D96.6Very high94.5Very high52 Ų5292.3 Ų92.328%0.27842%0.421SS..EExtended strand (participates in β ladder)trans-128.1161170-68.5-28.6000109.8E222 Q223 A225 R235 F239E222-D237 WeakPolarHBondContact CA-O 3.47Å; Q223-D237 PolarHBondContact N-O 3.17Å; Q223-D237 PolarHBondContact O-N 3.36Å; A225-D237 HydrophobicContact CB-CB 3.82Å; A225-D237 WeakPolarHBondContact CB-OD2 3.45Å; R235-D237 IonicContact CZ-OD1 2.75Å; R235-D237 IonicContact CZ-OD2 3.45Å; R235-D237 IonicContact NH1-OD1 2.83Å; R235-D237 PolarHBondContact NH1-OD1 3.05Å; R235-D237 IonicContact NH1-OD2 2.81Å; R235-D237 PolarHBondContact NH1-OD2 3.45Å; R235-D237 IonicContact NH2-OD2 2.65Å; R235-D237 PolarHBondContact NH2-OD2 3.03Å; D237-F239 HydrophobicContact CB-CD2 4.33Å; D237-F239 HydrophobicContact CB-CE2 3.75Å; D237-F239 HydrophobicContact CB-CZ 4.24Å; D237-F239 WeakPolarHBondContact O-CD2 2.97Å
238K95.8Very high93.8Very high138 Ų13889 Ų8960%0.642%0.419SS*.EExtended strand (participates in β ladder)trans-86.1119.3173.2-69.1-174.1-179.9-1750110.3Y220 E221 E222Y220-K238 HydrophobicContact CD1-CB 4.45Å; E221-K238 WeakPolarHBondContact O-CA 3.46Å; E222-K238 HydrophobicContact CG-CG 3.8Å
239F93.5Very high93.3Very high81 Ų8190.4 Ų90.436%0.35543%0.434SS..EExtended strand (participates in β ladder)trans-108143.8176.5-69.7-92.6000110.7Y220 E221 Q223 A225 D237 I241Y220-F239 WeakPolarHBondContact CA-O 3.42Å; E221-F239 PolarHBondContact N-O 2.96Å; E221-F239 PolarHBondContact O-N 3.36Å; Q223-F239 HydrophobicContact CB-CD2 3.79Å; Q223-F239 HydrophobicContact CB-CE2 4.27Å; Q223-F239 HydrophobicContact CG-CD2 4.45Å; A225-F239 HydrophobicContact CB-CE2 3.87Å; A225-F239 HydrophobicContact CB-CZ 3.86Å; D237-F239 HydrophobicContact CB-CD2 4.33Å; D237-F239 HydrophobicContact CB-CE2 3.75Å; D237-F239 HydrophobicContact CB-CZ 4.24Å; D237-F239 WeakPolarHBondContact O-CD2 2.97Å; F239-I241 PolarHBondContact O-N 2.77Å
240P95.5Very high92.8Very high43 Ų4379.1 Ų79.128%0.27939%0.391SS..EExtended strand (participates in β ladder)trans-73.6123.4174.929.8-32.5000110.3F218 Y220F218-P240 HydrophobicContact CB-CB 4.3Å; F218-P240 HydrophobicContact CD1-CB 3.62Å; F218-P240 HydrophobicContact CE1-CB 4.1Å; F218-P240 HydrophobicContact CG-CB 4.01Å; Y220-P240 HydrophobicContact CD1-CB 4.37Å; Y220-P240 HydrophobicContact CE1-CB 3.93Å; Y220-P240 HydrophobicContact CE1-CG 4.48Å
241I95.8Very high92.2Very high23 Ų2376.9 Ų76.912%0.11839%0.388CS..EExtended strand (participates in β ladder)trans-115.2131.3176-55.7-60.4000108.7Y169 A219 E221 Q223 F239 V243Y169-I241 CarbonylContact O-C 3.48Å; Y169-I241 VanDerWaalsContact O-CA 3.28Å; Y169-I241 WeakPolarHBondContact O-CA 3.29Å; A219-I241 PolarHBondContact N-O 2.87Å; A219-I241 PolarHBondContact O-N 3.28Å; E221-I241 HydrophobicContact CB-CG1 4.14Å; E221-I241 HydrophobicContact CG-CG1 4.23Å; Q223-I241 VanDerWaalsContact NE2-CD1 3.25Å; F239-I241 PolarHBondContact O-N 2.77Å; I241-V243 PolarHBondContact O-N 3.29Å
242A97.1Very high91.2Very high7 Ų777 Ų776%0.05838%0.378CS..EExtended strand (participates in β ladder)trans-73.6122.7178.600000110.6I162 Y169 F216I162-A242 HydrophobicContact CD1-CB 3.65Å; Y169-A242 PolarHBondContact O-N 3.09Å; F216-A242 HydrophobicContact CB-CB 4.09Å; F216-A242 HydrophobicContact CD2-CB 3.61Å; F216-A242 HydrophobicContact CE2-CB 4.23Å; F216-A242 HydrophobicContact CG-CB 3.93Å
243V96.8Very high89.6Confident55 Ų5574.9 Ų74.933%0.33338%0.383SS..EExtended strand (participates in β ladder)trans-111.3117173.4179.30000108.2F216 D217 A219 I241F216-V243 VanDerWaalsContact CA-O 3.3Å; F216-V243 WeakPolarHBondContact CA-O 3.38Å; D217-V243 PolarHBondContact N-O 2.93Å; D217-V243 PolarHBondContact O-N 3.35Å; A219-V243 HydrophobicContact CB-CG2 3.49Å; A219-V243 VanDerWaalsContact CB-CG2 3.49Å; I241-V243 PolarHBondContact O-N 3.29Å
244L96.4Very high87.7Confident56 Ų5676.1 Ų76.129%0.29340%0.401SS..EExtended strand (participates in β ladder)trans-67140.3-179.9-68.6-176.5000111.9Y171 I179 P214 C215 F216Y171-L244 HydrophobicContact CE1-CD1 4.17Å; Y171-L244 HydrophobicContact CE1-CD2 4.43Å; Y171-L244 HydrophobicContact CE1-CG 4.48Å; Y171-L244 HydrophobicContact CE2-CD1 3.73Å; Y171-L244 HydrophobicContact CE2-CG 4.02Å; Y171-L244 VanDerWaalsContact CZ-CD1 3.44Å; Y171-L244 WeakPolarHBondContact OH-CD1 3.42Å; I179-L244 HydrophobicContact CD1-CD2 3.98Å; I179-L244 HydrophobicContact CG2-CD2 3.71Å; P214-L244 HydrophobicContact CB-CD2 4.35Å; P214-L244 HydrophobicContact CG-CD1 4.42Å; P214-L244 HydrophobicContact CG-CD2 4.32Å; C215-L244 CarbonylContact O-C 3.36Å; C215-L244 WeakPolarHBondContact O-CA 3.47Å; F216-L244 HydrophobicContact CB-CD2 4.15Å
245R95.3Very high85.4Confident128 Ų12875.6 Ų75.648%0.48341%0.406SS..EExtended strand (participates in β ladder)trans-111.1143167-58.6-57.5-171.3-175.5-1.1109.3P214 C215 D217P214-R245 WeakPolarHBondContact CA-O 3.45Å; P214-R245 WeakPolarHBondContact CB-O 3.33Å; C215-R245 PolarHBondContact N-O 2.89Å; C215-R245 PolarHBondContact O-N 3.19Å; D217-R245 WeakPolarHBondContact OD2-CG 3.45Å; D217-R245 IonicContact OD2-CZ 3.23Å; D217-R245 IonicContact OD2-NE 2.78Å; D217-R245 PolarHBondContact OD2-NE 3.28Å; D217-R245 IonicContact OD2-NH2 2.78Å; D217-R245 PolarHBondContact OD2-NH2 3.28Å
246E88.6Confident82.8Confident182 Ų18277 Ų7785%0.8542%0.423SS*.  trans-64.6145.2173.3-67.3179.6179.700110.3V248E246-V248 PolarHBondContact O-N 3.08Å; E246-V248 VanDerWaalsContact O-N 3.12Å
247A82Confident80.2Confident28 Ų2875.8 Ų75.823%0.23143%0.43CS..  trans-64.6114.5178.400000109.6V213 P249V213-A247 WeakPolarHBondContact O-CB 3.43Å; A247-P249 WeakPolarHBondContact O-CD 3.32Å
248V81.8Confident77.7Confident97 Ų9780.3 Ų80.359%0.58845%0.452SS*.  trans-66.7125.3170.6178.20000108.4K189 E246 Y250K189-V248 PolarHBondContact NZ-O 3.42Å; E246-V248 PolarHBondContact O-N 3.08Å; E246-V248 VanDerWaalsContact O-N 3.12Å; V248-Y250 PolarHBondContact O-N 3.44Å
249P83.9Confident75.2Confident95 Ų9580.3 Ų80.362%0.61746%0.459SS*.  trans-53136.8-179.4-27.734.9000112.4N209 A247 D251N209-P249 WeakPolarHBondContact OD1-CA 3.36Å; A247-P249 WeakPolarHBondContact O-CD 3.32Å; P249-D251 PolarHBondContact O-N 2.99Å
250Y84.3Confident72.6Confident5 Ų583.4 Ų83.42%0.0247%0.474CS..  trans-85.4101.9175.5-177.5-108.1000110.1K189 L192 R193 G204 F208 N209 V248 Y252K189-Y250 HydrophobicContact CB-CD2 4.24Å; K189-Y250 HydrophobicContact CB-CE2 4.28Å; K189-Y250 HydrophobicContact CG-CD2 3.96Å; K189-Y250 HydrophobicContact CG-CE2 4.42Å; L192-Y250 VanDerWaalsContact C-OH 3.22Å; L192-Y250 HydrophobicContact CB-CE2 4.32Å; L192-Y250 VanDerWaalsContact CB-OH 3.26Å; L192-Y250 WeakPolarHBondContact CB-OH 3.2Å; L192-Y250 PolarHBondContact O-OH 3.43Å; R193-Y250 HydrophobicContact CG-CE2 3.75Å; R193-Y250 PolarHBondContact N-OH 3.03Å; G204-Y250 VanDerWaalsContact C-CD1 3.4Å; F208-Y250 VanDerWaalsContact CB-CB 3.5Å; F208-Y250 HydrophobicContact CB-CG 4.49Å; F208-Y250 AromaticContact CD2-CD2 3.93Å; F208-Y250 HydrophobicContact CD2-CD2 3.93Å; F208-Y250 AromaticContact CD2-CG 3.95Å; F208-Y250 HydrophobicContact CD2-CG 3.95Å; F208-Y250 HydrophobicContact CE2-CD2 4.39Å; N209-Y250 PolarHBondContact ND2-O 2.97Å; N209-Y250 PolarHBondContact OD1-N 2.97Å; V248-Y250 PolarHBondContact O-N 3.44Å; Y250-Y252 HydrophobicContact CD1-CD2 4.35Å; Y250-Y252 AromaticContact CE1-CD2 3.35Å; Y250-Y252 HydrophobicContact CE1-CD2 3.35Å; Y250-Y252 AromaticContact CE1-CE2 3.6Å; Y250-Y252 HydrophobicContact CE1-CE2 3.6Å; Y250-Y252 AromaticContact CZ-CD2 3.67Å; Y250-Y252 AromaticContact CZ-CE2 3.68Å; Y250-Y252 WeakPolarHBondContact OH-CD2 3.34Å; Y250-Y252 WeakPolarHBondContact OH-CE2 3.24Å
251D82.3Confident70Confident80 Ų8088.5 Ų88.543%0.42850%0.499SS..  trans-92.6140.5167.2-179.224.2000110.9R193 P249 G253 G254R193-D251 PolarHBondContact NE-O 3.43Å; R193-D251 PolarHBondContact NH2-O 3.39Å; P249-D251 PolarHBondContact O-N 2.99Å; D251-G253 PolarHBondContact OD1-N 3.49Å; D251-G253 VanDerWaalsContact OD1-N 3.17Å; D251-G254 PolarHBondContact OD1-N 3.3Å; D251-G254 PolarHBondContact OD2-N 2.93Å
252Y70.2Confident67Low39 Ų3992.6 Ų92.615%0.15353%0.525CS..  trans-94.412.3179.2-135.6-95.8000113.7L192 N196 D197 S200 R201 Y250L192-Y252 PolarHBondContact O-OH 3.22Å; N196-Y252 WeakPolarHBondContact CA-OH 3.2Å; N196-Y252 HydrophobicContact CB-CE1 4.22Å; N196-Y252 PolarHBondContact N-OH 2.73Å; N196-Y252 WeakPolarHBondContact OD1-CD1 3.21Å; N196-Y252 WeakPolarHBondContact OD1-CE1 3.38Å; D197-Y252 PolarHBondContact N-OH 2.97Å; D197-Y252 PolarHBondContact O-OH 3.01Å; D197-Y252 VanDerWaalsContact O-OH 3.09Å; S200-Y252 PolarHBondContact OG-OH 2.87Å; R201-Y252 HydrophobicContact CB-CD2 4.26Å; R201-Y252 HydrophobicContact CB-CE2 3.89Å; R201-Y252 HydrophobicContact CG-CD1 3.6Å; R201-Y252 HydrophobicContact CG-CD2 3.59Å; R201-Y252 HydrophobicContact CG-CE1 3.2Å; R201-Y252 HydrophobicContact CG-CE2 3.25Å; R201-Y252 HydrophobicContact CG-CG 3.76Å; R201-Y252 WeakPolarHBondContact CG-OH 3.42Å; R201-Y252 PolarHBondContact N-OH 2.97Å; Y250-Y252 HydrophobicContact CD1-CD2 4.35Å; Y250-Y252 AromaticContact CE1-CD2 3.35Å; Y250-Y252 HydrophobicContact CE1-CD2 3.35Å; Y250-Y252 AromaticContact CE1-CE2 3.6Å; Y250-Y252 HydrophobicContact CE1-CE2 3.6Å; Y250-Y252 AromaticContact CZ-CD2 3.67Å; Y250-Y252 AromaticContact CZ-CE2 3.68Å; Y250-Y252 WeakPolarHBondContact OH-CD2 3.34Å; Y250-Y252 WeakPolarHBondContact OH-CE2 3.24Å
253G61.9Low64.1Low69 Ų6998.5 Ų98.571%0.71156%0.56SS**SBendtrans92.950.5177.400000113.4D251D251-G253 PolarHBondContact OD1-N 3.49Å; D251-G253 VanDerWaalsContact OD1-N 3.17Å
254G56.2Low60.9Low53 Ų53101.9 Ų101.955%0.54658%0.58SS.*  trans95.573.3162.800000115.2D251D251-G254 PolarHBondContact OD1-N 3.3Å; D251-G254 PolarHBondContact OD2-N 2.93Å
255V47.9Very low58.1Low99 Ų99104 Ų10460%0.660%0.598SS**  trans-121.1100.4133.8-170.90000104.7V257 L293V255-V257 PolarHBondContact O-N 3.32Å; V255-L293 HydrophobicContact CB-CD1 4.01Å; V255-L293 HydrophobicContact CG1-CD1 4.25Å
256D40.7Very low55.1Low145 Ų145103.9 Ų103.978%0.77561%0.613SS**  trans-47.9120.5172.5-75.3-51.1000108I258D256-I258 VanDerWaalsContact C-N 3.28Å; D256-I258 PolarHBondContact O-N 2.88Å
257V42.7Very low52.3Low116 Ų116105.1 Ų105.170%0.70362%0.616SS**  trans-61.2100.7167.3-177.60000104.8V255 D259V255-V257 PolarHBondContact O-N 3.32Å; V257-D259 HydrophobicContact CG1-CB 4.09Å; V257-D259 PolarHBondContact O-N 2.99Å
258I43.1Very low50Low148 Ų148115.4 Ų115.476%0.75965%0.649SS**  trans-71.478.8168.9-35.4167.2000105.4D256 E260D256-I258 VanDerWaalsContact C-N 3.28Å; D256-I258 PolarHBondContact O-N 2.88Å; I258-E260 HydrophobicContact CG2-CB 4.18Å; I258-E260 PolarHBondContact O-N 2.93Å
259D42.9Very low47.6Very low138 Ų138119.2 Ų119.274%0.73866%0.66SS**  trans-81.146.4168.9-145.315000109.3V257V257-D259 HydrophobicContact CG1-CB 4.09Å; V257-D259 PolarHBondContact O-N 2.99Å
260E39.1Very low45.1Very low145 Ų145122.8 Ų122.868%0.67867%0.668SS**  trans-111.985.8167.2-153.9163.7169.800106.2I258 T262I258-E260 HydrophobicContact CG2-CB 4.18Å; I258-E260 PolarHBondContact O-N 2.93Å; E260-T262 HydrophobicContact CG-CG2 4.41Å; E260-T262 PolarHBondContact O-N 3.3Å
261L40.7Very low42.5Very low151 Ų151126.7 Ų126.779%0.79170%0.697SS**  trans-55.388.2153.3-87.591000106.7V263L261-V263 PolarHBondContact O-N 3.4Å
262T33.2Very low40Very low109 Ų109132.2 Ų132.267%0.66972%0.717SS**  trans-62.895.5163.650.20000106.2E260 V264E260-T262 HydrophobicContact CG-CG2 4.41Å; E260-T262 PolarHBondContact O-N 3.3Å; T262-V264 PolarHBondContact O-N 3.18Å
263V36.2Very low38Very low130 Ų130139.2 Ų139.279%0.78875%0.748SS**  trans-48.3111.61621740000106L261 P265L261-V263 PolarHBondContact O-N 3.4Å; V263-P265 WeakPolarHBondContact O-CD 3.46Å; V263-P265 VanDerWaalsContact O-N 3.12Å
264V29.3Very low36.4Very low126 Ų126140 Ų14076%0.76474%0.742SS**  trans-50115.6176.6173.30000108.6T262T262-V264 PolarHBondContact O-N 3.18Å
265P36.9Very low35Very low102 Ų102144 Ų14466%0.66275%0.752SS**PPolyproline II helixtrans-72.7143162.7-3.621.3000107.6V263 K267V263-P265 WeakPolarHBondContact O-CD 3.46Å; V263-P265 VanDerWaalsContact O-N 3.12Å; P265-K267 PolarHBondContact O-N 3.15Å; P265-K267 VanDerWaalsContact O-N 3.11Å
266P32.3Very low34.1Very low124 Ų124147.2 Ų147.281%0.80576%0.76SS**PPolyproline II helixtrans-66.5118-176.728.1-31.8000109.3R268P266-R268 PolarHBondContact O-N 2.97Å
267K29.9Very low33.5Very low208 Ų208148.7 Ų148.790%0.90476%0.762SS**PPolyproline II helixtrans-72.9123.2168.7-89.3-175.9176.5176.70109.2P265P265-K267 PolarHBondContact O-N 3.15Å; P265-K267 VanDerWaalsContact O-N 3.11Å
268R34.3Very low32.8Very low244 Ų244151.6 Ų151.692%0.92177%0.768SS**PPolyproline II helixtrans-68.4143.2159.9-72.8179.1175.9-173.7-1.8109.4P266P266-R268 PolarHBondContact O-N 2.97Å
269E32Very low32Very low177 Ų177152.4 Ų152.483%0.82777%0.769SS**PPolyproline II helixtrans-51.4138.7171.2-68.9-94.8155.900113.2
270E31Very low31.3Very low170 Ų170155.4 Ų155.479%0.79477%0.77SS**  162.3127.4105.4-84.1-164.4163.200113.4
271S30.7Very low30.8Very low88 Ų88157.1 Ų157.162%0.61578%0.778SS**  trans77.8112.7133.7-62.80000124.6
272K29.5Very low30Very low195 Ų195154.8 Ų154.885%0.84877%0.774SS**  68141.9128.2-62.4178.4-176173.70117.9
273K27.1Very low30Very low187 Ų187155.2 Ų155.281%0.81378%0.779SS**  cis-175.415314.9-147-174.7178.3-167.10109.6
274S28.1Very low29.7Very low84 Ų84154.9 Ų154.959%0.58778%0.777SS**  trans56.7146.6142.845.10000121.3
275D27.3Very low29.8Very low139 Ų139157.4 Ų157.474%0.74378%0.78SS**  cis-167.6153.40-86.1-28.6000109.2
276E29.2Very low29.8Very low165 Ų165158.3 Ų158.377%0.77179%0.789SS**  trans46.8116.8140.3-69.5175.6141.700122.6
277E28.5Very low29.6Very low177 Ų177161.5 Ų161.583%0.82779%0.791SS**  82120.890.9-97.9-167.5165.100115.7
278E27.1Very low29.9Very low177 Ų177159.5 Ų159.583%0.82779%0.788SS**  179.5155.7110.6-131.3-175.9144.300113.9
279Q27.2Very low30.1Very low165 Ų165152.9 Ų152.977%0.77178%0.779SS**  trans-91173.4-164.7-74.1172.7-17.700116.7
280R28.1Very low31.1Very low200 Ų200151 Ų15176%0.75577%0.77SS**  trans113.6141.2146.4-61.6173.9-166.1-1506.1114
281E27.5Very low32.5Very low181 Ų181144.7 Ų144.785%0.84674%0.744SS**  cis-162.1157.2-10.4-111.6-178.7144.200106.6
282S25.7Very low34.6Very low103 Ų103143.6 Ų143.672%0.7274%0.736SS**  trans-76.3167.8-176.5-161.70000113.5T284S282-T284 PolarHBondContact OG-N 3.32Å; S282-T284 VanDerWaalsContact OG-N 3.08Å
283P33Very low36.6Very low118 Ų118137.7 Ų137.777%0.76671%0.713SS**  -141.5128.491.333-15000116
284T29.5Very low38.9Very low122 Ų122138.1 Ų138.175%0.74871%0.71SS**  trans51.992.4132.3-36.90000119.1S282S282-T284 PolarHBondContact OG-N 3.32Å; S282-T284 VanDerWaalsContact OG-N 3.08Å
285Q32.1Very low41.3Very low179 Ų179139 Ų13984%0.83671%0.708SS**  trans-128.3123.5138.7-95.1-180-5.900108K287Q285-K287 VanDerWaalsContact C-N 3.33Å; Q285-K287 PolarHBondContact O-N 3.01Å
286S35.9Very low43.8Very low121 Ų121132.6 Ų132.685%0.84667%0.674SS**  trans-60.390.1173.641.80000110.2
287K28.1Very low46.2Very low192 Ų192126.7 Ų126.784%0.83565%0.649SS**  trans-77.5115.4164-76.8-178.4176.4-178.90107.5Q285 S289Q285-K287 VanDerWaalsContact C-N 3.33Å; Q285-K287 PolarHBondContact O-N 3.01Å; K287-S289 PolarHBondContact O-N 3.22Å
288I37.2Very low48.7Very low166 Ų166122.5 Ų122.585%0.85163%0.631SS**  trans-57.7109157.3-66.7161.7000105E290I288-E290 PolarHBondContact O-N 2.99Å; I288-E290 VanDerWaalsContact O-N 3.14Å
289S38.3Very low51.2Low104 Ų104116 Ų11673%0.72761%0.608SS**  trans-67.8111.4177.551.40000108K287K287-S289 PolarHBondContact O-N 3.22Å
290E52.9Low53.7Low139 Ų139108.1 Ų108.165%0.6557%0.571SS**PPolyproline II helixtrans-57.7126175.6-156.9168.1-167.500109.2R201 I288 S292R201-E290 IonicContact CZ-OE1 3.34Å; R201-E290 IonicContact NH1-OE1 2.73Å; R201-E290 PolarHBondContact NH1-OE1 3.18Å; R201-E290 IonicContact NH2-OE1 3.39Å; R201-E290 PolarHBondContact NH2-OE1 3.04Å; I288-E290 PolarHBondContact O-N 2.99Å; I288-E290 VanDerWaalsContact O-N 3.14Å; E290-S292 PolarHBondContact O-N 3.11Å
291P60.4Low56.3Low37 Ų37102.6 Ų102.624%0.2455%0.554CS.*PPolyproline II helixtrans-66.1131.6-17823.5-30.6000109.9T198 L293 V296T198-P291 HydrophobicContact CG2-CG 4.06Å; P291-L293 PolarHBondContact O-N 3.14Å; P291-V296 HydrophobicContact CB-CG2 4.17Å; P291-V296 HydrophobicContact CG-CG2 4.15Å
292S74.4Confident58.9Low65 Ų6597.8 Ų97.846%0.45553%0.534SS..PPolyproline II helixtrans-53.6137.6173.7174.10000110.4E290 R294 N295 V296E290-S292 PolarHBondContact O-N 3.11Å; S292-R294 PolarHBondContact O-N 3.06Å; S292-R294 VanDerWaalsContact O-N 3.08Å; S292-N295 WeakPolarHBondContact O-CA 3.36Å; S292-N295 WeakPolarHBondContact O-CB 3.45Å; S292-N295 PolarHBondContact O-N 2.88Å; S292-V296 PolarHBondContact O-N 3.35Å
293L71Confident61.5Low70 Ų7094.2 Ų94.237%0.36651%0.506SS..Hα-helixtrans-49.9-38.6179.5-172.4156.4000111.9V255 P291 N295 V296 V297V255-L293 HydrophobicContact CB-CD1 4.01Å; V255-L293 HydrophobicContact CG1-CD1 4.25Å; P291-L293 PolarHBondContact O-N 3.14Å; L293-N295 VanDerWaalsContact C-N 3.3Å; L293-N295 PolarHBondContact O-N 3.4Å; L293-V296 PolarHBondContact O-N 3.31Å; L293-V296 VanDerWaalsContact O-N 3.15Å; L293-V297 HydrophobicContact CD2-CG2 3.71Å; L293-V297 WeakPolarHBondContact O-CG2 3.45Å; L293-V297 PolarHBondContact O-N 3.42Å
294R74.9Confident63.7Low197 Ų19789.6 Ų89.674%0.74347%0.474SS*.Hα-helixtrans-58.1-40.7175.8-69-173.9177.1-161.8-1.6112.6S292 V296 V297 I298S292-R294 PolarHBondContact O-N 3.06Å; S292-R294 VanDerWaalsContact O-N 3.08Å; R294-V296 VanDerWaalsContact C-N 3.34Å; R294-V297 PolarHBondContact O-N 2.98Å; R294-I298 WeakPolarHBondContact O-CB 3.35Å; R294-I298 WeakPolarHBondContact O-CD1 3.31Å; R294-I298 WeakPolarHBondContact O-CG1 3.31Å; R294-I298 PolarHBondContact O-N 2.73Å
295N79.7Confident66.1Low101 Ų10189.3 Ų89.354%0.5446%0.463SS..Hα-helixtrans-69.8-35.1179.4-63.4-10.4000111.3S292 L293 A299S292-N295 WeakPolarHBondContact O-CA 3.36Å; S292-N295 WeakPolarHBondContact O-CB 3.45Å; S292-N295 PolarHBondContact O-N 2.88Å; L293-N295 VanDerWaalsContact C-N 3.3Å; L293-N295 PolarHBondContact O-N 3.4Å; N295-A299 VanDerWaalsContact O-CB 3.31Å; N295-A299 WeakPolarHBondContact O-CB 3.35Å; N295-A299 PolarHBondContact O-N 3.19Å
296V78.8Confident68Low6 Ų683.8 Ų83.84%0.03644%0.441CS..Hα-helixtrans-66.9-44.3176.4-175.40000110.6R201 V202 Q205 P291 S292 L293 R294 A299 A300R201-V296 HydrophobicContact CB-CG1 3.97Å; V202-V296 HydrophobicContact CG2-CG1 3.84Å; Q205-V296 VanDerWaalsContact CD-CG1 3.48Å; Q205-V296 HydrophobicContact CG-CG1 4.16Å; Q205-V296 VanDerWaalsContact OE1-CG1 3.29Å; P291-V296 HydrophobicContact CB-CG2 4.17Å; P291-V296 HydrophobicContact CG-CG2 4.15Å; S292-V296 PolarHBondContact O-N 3.35Å; L293-V296 PolarHBondContact O-N 3.31Å; L293-V296 VanDerWaalsContact O-N 3.15Å; R294-V296 VanDerWaalsContact C-N 3.34Å; V296-A299 PolarHBondContact O-N 2.86Å; V296-A300 WeakPolarHBondContact O-CB 3.28Å; V296-A300 PolarHBondContact O-N 3.49Å
297V79.8Confident69.8Low41 Ų4178.3 Ų78.325%0.24840%0.402CS..Hα-helixtrans-64.1-45.1177.4175.30000111.1Q205 L293 R294 A299 A300 E301Q205-V297 VanDerWaalsContact OE1-CG2 3.23Å; L293-V297 HydrophobicContact CD2-CG2 3.71Å; L293-V297 WeakPolarHBondContact O-CG2 3.45Å; L293-V297 PolarHBondContact O-N 3.42Å; R294-V297 PolarHBondContact O-N 2.98Å; V297-A299 VanDerWaalsContact C-N 3.34Å; V297-A299 PolarHBondContact O-N 3.05Å; V297-A300 WeakPolarHBondContact O-CB 3.38Å; V297-A300 PolarHBondContact O-N 2.94Å; V297-E301 HydrophobicContact CG1-CG 4.45Å; V297-E301 WeakPolarHBondContact O-CG 3.3Å; V297-E301 PolarHBondContact O-N 3.18Å
298I82.2Confident71.8Confident88 Ų8870.8 Ų70.845%0.45138%0.376SS..Hα-helixtrans-60-46176.5-68.5164000110.7R294 A300 E301 D302R294-I298 WeakPolarHBondContact O-CB 3.35Å; R294-I298 WeakPolarHBondContact O-CD1 3.31Å; R294-I298 WeakPolarHBondContact O-CG1 3.31Å; R294-I298 PolarHBondContact O-N 2.73Å; I298-A300 VanDerWaalsContact C-N 3.29Å; I298-A300 PolarHBondContact O-N 3.16Å; I298-E301 PolarHBondContact O-N 3.4Å; I298-D302 PolarHBondContact O-N 3.27Å
299A78.1Confident73.3Confident41 Ų4167.3 Ų67.334%0.33936%0.363SS..Hα-helixtrans-62.6-37.6177.700000112.1V202 N295 V296 V297 F303V202-A299 HydrophobicContact CG1-CB 4.01Å; V202-A299 HydrophobicContact CG2-CB 4.04Å; N295-A299 VanDerWaalsContact O-CB 3.31Å; N295-A299 WeakPolarHBondContact O-CB 3.35Å; N295-A299 PolarHBondContact O-N 3.19Å; V296-A299 PolarHBondContact O-N 2.86Å; V297-A299 VanDerWaalsContact C-N 3.34Å; V297-A299 PolarHBondContact O-N 3.05Å; A299-F303 WeakPolarHBondContact O-CB 3.39Å; A299-F303 PolarHBondContact O-N 3.22Å
300A81.1Confident74.2Confident0 Ų063.4 Ų63.40%033%0.334CS..Hα-helixtrans-65-49.2174.800000111.3V202 Q205 A206 V210 V296 V297 I298 D302 F303 I304V202-A300 HydrophobicContact CG1-CB 4.39Å; Q205-A300 HydrophobicContact CB-CB 4.19Å; A206-A300 HydrophobicContact CB-CB 3.85Å; V210-A300 HydrophobicContact CG2-CB 3.9Å; V296-A300 WeakPolarHBondContact O-CB 3.28Å; V296-A300 PolarHBondContact O-N 3.49Å; V297-A300 WeakPolarHBondContact O-CB 3.38Å; V297-A300 PolarHBondContact O-N 2.94Å; I298-A300 VanDerWaalsContact C-N 3.29Å; I298-A300 PolarHBondContact O-N 3.16Å; A300-D302 PolarHBondContact O-N 3.07Å; A300-F303 WeakPolarHBondContact O-CB 3.38Å; A300-F303 PolarHBondContact O-N 2.94Å; A300-I304 VanDerWaalsContact O-CG1 3.3Å; A300-I304 WeakPolarHBondContact O-CG1 3.36Å; A300-I304 PolarHBondContact O-N 3.44Å
301E82.7Confident74.3Confident84 Ų8457.7 Ų57.739%0.39331%0.309SS..Hα-helixtrans-58.8-44177.4-74.1-179.4-174.800112.9V210 V297 I298 I304 K305V210-E301 HydrophobicContact CG1-CG 4.21Å; V210-E301 HydrophobicContact CG2-CG 4.44Å; V297-E301 HydrophobicContact CG1-CG 4.45Å; V297-E301 WeakPolarHBondContact O-CG 3.3Å; V297-E301 PolarHBondContact O-N 3.18Å; I298-E301 PolarHBondContact O-N 3.4Å; E301-I304 PolarHBondContact O-N 2.78Å; E301-K305 WeakPolarHBondContact O-CG 3.46Å; E301-K305 PolarHBondContact O-N 3.26Å
302D81.2Confident73.8Confident79 Ų7959.8 Ų59.842%0.42232%0.322SS..Hα-helixtrans-67-38.4179.2-75-15000111.6I298 A300 I304 K305 V306I298-D302 PolarHBondContact O-N 3.27Å; A300-D302 PolarHBondContact O-N 3.07Å; D302-I304 VanDerWaalsContact C-N 3.31Å; D302-I304 PolarHBondContact O-N 2.87Å; D302-K305 PolarHBondContact O-N 3.15Å; D302-K305 IonicContact OD1-NZ 2.84Å; D302-K305 PolarHBondContact OD1-NZ 3.33Å; D302-V306 VanDerWaalsContact O-CG2 3.28Å; D302-V306 WeakPolarHBondContact O-CG2 3.4Å; D302-V306 PolarHBondContact O-N 3.11Å
303F80.3Confident72.4Confident29 Ų2959.4 Ų59.413%0.12732%0.319CS..Hα-helixtrans-59-42.1170.3177.2-118.3000111.8Y124 A206 A299 A300 V306 L307Y124-F303 VanDerWaalsContact CA-CE2 3.44Å; Y124-F303 HydrophobicContact CD2-CD2 4.3Å; Y124-F303 HydrophobicContact CD2-CE2 4.49Å; Y124-F303 HydrophobicContact CD2-CG 4.43Å; A206-F303 HydrophobicContact CB-CD1 3.8Å; A206-F303 HydrophobicContact CB-CE1 4.37Å; A299-F303 WeakPolarHBondContact O-CB 3.39Å; A299-F303 PolarHBondContact O-N 3.22Å; A300-F303 WeakPolarHBondContact O-CB 3.38Å; A300-F303 PolarHBondContact O-N 2.94Å; F303-V306 PolarHBondContact O-N 3.49Å; F303-L307 HydrophobicContact CD1-CD1 3.85Å; F303-L307 HydrophobicContact CD2-CD1 4.46Å; F303-L307 HydrophobicContact CE1-CD1 3.39Å; F303-L307 HydrophobicContact CE1-CG 4.37Å; F303-L307 HydrophobicContact CE2-CD1 4.04Å; F303-L307 HydrophobicContact CE2-CD2 4.37Å; F303-L307 HydrophobicContact CE2-CG 4.16Å; F303-L307 HydrophobicContact CG-CD1 4.37Å; F303-L307 HydrophobicContact CZ-CD1 3.5Å; F303-L307 HydrophobicContact CZ-CD2 4.24Å; F303-L307 HydrophobicContact CZ-CG 4.08Å; F303-L307 WeakPolarHBondContact O-CG 3.44Å; F303-L307 PolarHBondContact O-N 2.85Å; F303-L307 VanDerWaalsContact O-N 3.11Å
304I79.7Confident70.9Confident20 Ų2061.6 Ų61.610%0.10333%0.327CS..Hα-helixtrans-68.5-43.6179.3-61.6-38.2000113.1W176 A206 V210 I211 A300 E301 D302 V306 L307 A308W176-I304 HydrophobicContact CZ2-CG2 4.4Å; A206-I304 HydrophobicContact CB-CD1 3.75Å; A206-I304 HydrophobicContact CB-CG1 4.26Å; V210-I304 HydrophobicContact CB-CG1 4.04Å; V210-I304 HydrophobicContact CG1-CB 4.16Å; V210-I304 HydrophobicContact CG1-CG1 3.63Å; V210-I304 HydrophobicContact CG1-CG2 4.44Å; I211-I304 HydrophobicContact CD1-CD1 3.31Å; I211-I304 HydrophobicContact CD1-CG1 4.27Å; I211-I304 HydrophobicContact CG1-CD1 3.39Å; I211-I304 HydrophobicContact CG1-CG1 3.78Å; I211-I304 HydrophobicContact CG1-CG2 4.02Å; A300-I304 VanDerWaalsContact O-CG1 3.3Å; A300-I304 WeakPolarHBondContact O-CG1 3.36Å; A300-I304 PolarHBondContact O-N 3.44Å; E301-I304 PolarHBondContact O-N 2.78Å; D302-I304 VanDerWaalsContact C-N 3.31Å; D302-I304 PolarHBondContact O-N 2.87Å; I304-V306 PolarHBondContact O-N 3.38Å; I304-V306 VanDerWaalsContact O-N 3.16Å; I304-L307 HydrophobicContact CD1-CD1 3.87Å; I304-L307 PolarHBondContact O-N 3.46Å; I304-L307 VanDerWaalsContact O-N 3.07Å; I304-A308 PolarHBondContact O-N 3.03Å
305K78.9Confident69Low116 Ų11656.2 Ų56.250%0.50432%0.32SS..Hα-helixtrans-54.4-37.8177.4-72168.5-162.41550111.1E301 D302 T309E301-K305 WeakPolarHBondContact O-CG 3.46Å; E301-K305 PolarHBondContact O-N 3.26Å; D302-K305 PolarHBondContact O-N 3.15Å; D302-K305 IonicContact OD1-NZ 2.84Å; D302-K305 PolarHBondContact OD1-NZ 3.33Å; K305-T309 WeakPolarHBondContact O-CG2 3.19Å; K305-T309 PolarHBondContact O-N 2.82Å; K305-T309 PolarHBondContact O-OG1 3.34Å
306V73.6Confident66.6Low64 Ų6454.8 Ų54.839%0.38832%0.318SS..Hα-helixtrans-71.9-43.5178.8174.50000111.3F122 D302 F303 I304 T309 V310F122-V306 HydrophobicContact CD1-CG1 3.23Å; F122-V306 HydrophobicContact CE1-CG1 3.09Å; F122-V306 HydrophobicContact CG-CG1 4.44Å; F122-V306 HydrophobicContact CZ-CG1 4.25Å; D302-V306 VanDerWaalsContact O-CG2 3.28Å; D302-V306 WeakPolarHBondContact O-CG2 3.4Å; D302-V306 PolarHBondContact O-N 3.11Å; F303-V306 PolarHBondContact O-N 3.49Å; I304-V306 PolarHBondContact O-N 3.38Å; I304-V306 VanDerWaalsContact O-N 3.16Å; V306-T309 PolarHBondContact O-OG1 3.08Å; V306-V310 WeakPolarHBondContact O-CG2 3.49Å
307L73.6Confident64.4Low6 Ų662.1 Ų62.13%0.03136%0.357CS..Hα-helixtrans-62-46176.5-73.1170.4000113.3F122 A132 W176 F303 I304 T309 V310 S311F122-L307 HydrophobicContact CB-CD2 3.53Å; F122-L307 WeakPolarHBondContact O-CD2 3.17Å; A132-L307 HydrophobicContact CB-CD2 4.01Å; W176-L307 HydrophobicContact CH2-CB 3.78Å; W176-L307 HydrophobicContact CZ3-CB 3.83Å; F303-L307 HydrophobicContact CD1-CD1 3.85Å; F303-L307 HydrophobicContact CD2-CD1 4.46Å; F303-L307 HydrophobicContact CE1-CD1 3.39Å; F303-L307 HydrophobicContact CE1-CG 4.37Å; F303-L307 HydrophobicContact CE2-CD1 4.04Å; F303-L307 HydrophobicContact CE2-CD2 4.37Å; F303-L307 HydrophobicContact CE2-CG 4.16Å; F303-L307 HydrophobicContact CG-CD1 4.37Å; F303-L307 HydrophobicContact CZ-CD1 3.5Å; F303-L307 HydrophobicContact CZ-CD2 4.24Å; F303-L307 HydrophobicContact CZ-CG 4.08Å; F303-L307 WeakPolarHBondContact O-CG 3.44Å; F303-L307 PolarHBondContact O-N 2.85Å; F303-L307 VanDerWaalsContact O-N 3.11Å; I304-L307 HydrophobicContact CD1-CD1 3.87Å; I304-L307 PolarHBondContact O-N 3.46Å; I304-L307 VanDerWaalsContact O-N 3.07Å; L307-T309 PolarHBondContact O-N 3.48Å; L307-V310 PolarHBondContact O-N 2.98Å; L307-V310 VanDerWaalsContact O-N 3.15Å; L307-S311 PolarHBondContact O-N 3Å
308A69.8Low62.1Low34 Ų3464.2 Ų64.228%0.28138%0.379SS..Hα-helixtrans-67.8-32.1-173.100000113.4W176 I304 V310W176-A308 HydrophobicContact CH2-CB 4.33Å; W176-A308 HydrophobicContact CZ2-CB 4.03Å; I304-A308 PolarHBondContact O-N 3.03Å; A308-V310 PolarHBondContact O-N 2.99Å
309T67.3Low59.8Low93 Ų9367.6 Ų67.657%0.57140%0.398SS*.Hα-helixtrans-70.3-15.9176.750.70000113.1K305 V306 L307 T312 S313K305-T309 WeakPolarHBondContact O-CG2 3.19Å; K305-T309 PolarHBondContact O-N 2.82Å; K305-T309 PolarHBondContact O-OG1 3.34Å; V306-T309 PolarHBondContact O-OG1 3.08Å; L307-T309 PolarHBondContact O-N 3.48Å; T309-T312 PolarHBondContact O-OG1 2.84Å; T309-T312 VanDerWaalsContact O-OG1 3.11Å; T309-S313 PolarHBondContact O-OG 2.8Å
310V58.5Low57.4Low22 Ų2271.4 Ų71.413%0.13342%0.422CS..Hα-helixtrans-104.3-37-173.1-177.60000111.8F122 V306 L307 A308 T312 S313 Q314F122-V310 HydrophobicContact CD1-CG2 4.39Å; F122-V310 HydrophobicContact CD2-CB 3.79Å; F122-V310 HydrophobicContact CD2-CG1 3.53Å; F122-V310 HydrophobicContact CD2-CG2 3.57Å; F122-V310 HydrophobicContact CE1-CG2 4.09Å; F122-V310 HydrophobicContact CE2-CB 3.87Å; F122-V310 HydrophobicContact CE2-CG1 3.61Å; F122-V310 HydrophobicContact CE2-CG2 3.2Å; F122-V310 HydrophobicContact CG-CB 4.41Å; F122-V310 HydrophobicContact CG-CG2 4.11Å; F122-V310 HydrophobicContact CZ-CG2 3.46Å; F122-V310 VanDerWaalsContact CZ-CG2 3.46Å; V306-V310 WeakPolarHBondContact O-CG2 3.49Å; L307-V310 PolarHBondContact O-N 2.98Å; L307-V310 VanDerWaalsContact O-N 3.15Å; A308-V310 PolarHBondContact O-N 2.99Å; V310-T312 PolarHBondContact O-N 2.96Å; V310-S313 VanDerWaalsContact CA-OG 3.31Å; V310-S313 WeakPolarHBondContact CA-OG 3.2Å; V310-S313 PolarHBondContact O-N 2.74Å; V310-S313 PolarHBondContact O-OG 2.98Å; V310-Q314 HydrophobicContact CG1-CG 4.22Å; V310-Q314 PolarHBondContact O-N 3.11Å
311S53.7Low55Low18 Ų1879.1 Ų79.113%0.12646%0.463CS..Hα-helixtrans-59.9-27.5172.8-810000112.7W176 L307W176-S311 PolarHBondContact O-OG 3.45Å; L307-S311 PolarHBondContact O-N 3Å
312T51.6Low52.6Low81 Ų8184.6 Ų84.650%0.49749%0.486SS..Hα-helixtrans-74.9-30173.554.40000113.1T309 V310 S315T309-T312 PolarHBondContact O-OG1 2.84Å; T309-T312 VanDerWaalsContact O-OG1 3.11Å; V310-T312 PolarHBondContact O-N 2.96Å; T312-S315 PolarHBondContact O-OG 3.18Å
313S44.1Very low50.1Low57 Ų5790 Ų9040%0.39951%0.508SS..Hα-helixtrans-87.1-20178.544.40000113.3T309 V310 S315 S316T309-S313 PolarHBondContact O-OG 2.8Å; V310-S313 VanDerWaalsContact CA-OG 3.31Å; V310-S313 WeakPolarHBondContact CA-OG 3.2Å; V310-S313 PolarHBondContact O-N 2.74Å; V310-S313 PolarHBondContact O-OG 2.98Å; S313-S315 VanDerWaalsContact C-N 3.35Å; S313-S316 PolarHBondContact O-N 3.03Å; S313-S316 PolarHBondContact O-OG 3.08Å
314Q38.8Very low47.6Very low116 Ų11698.4 Ų98.454%0.54255%0.548SS..Hα-helixtrans-77.1-20.5170.1-67.6-172.631.700113V310 S316V310-Q314 HydrophobicContact CG1-CG 4.22Å; V310-Q314 PolarHBondContact O-N 3.11Å; Q314-S316 VanDerWaalsContact C-N 3.29Å
315S35.2Very low45.1Very low84 Ų84101 Ų10159%0.58758%0.579SS**THydrogen-bonded Turntrans-80.4-5169.259.10000114.3T312 S313T312-S315 PolarHBondContact O-OG 3.18Å; S313-S315 VanDerWaalsContact C-N 3.35Å
316S30.2Very low42.9Very low72 Ų72104.8 Ų104.850%0.50360%0.599SS.*  trans-12667179.465.80000111.4S313 Q314S313-S316 PolarHBondContact O-N 3.03Å; S313-S316 PolarHBondContact O-OG 3.08Å; Q314-S316 VanDerWaalsContact C-N 3.29Å
317N31.5Very low40.6Very low159 Ų159109.3 Ų109.385%0.8562%0.621SS**  trans-108.364.1151.7-74.6-48.5000108.2
318A31.6Very low38.5Very low85 Ų85113.9 Ų113.970%0.70265%0.654SS**SBendtrans-121.7113.9152.700000105.5
319D34.8Very low36.6Very low159 Ų159121.4 Ų121.485%0.8568%0.683SS**  trans36.8114.2167.2-85.9-55.8000119.3
320S27.8Very low35Very low122 Ų122126.8 Ų126.885%0.85370%0.699SS**  trans-151.484.3152.5-74.90000110.3
321D31.2Very low33.7Very low162 Ų162133.8 Ų133.887%0.86673%0.727SS**  trans-125.784.8154.2-96.7-36000108.7
322K32.1Very low32.6Very low199 Ų199143.2 Ų143.287%0.86576%0.76SS**  trans-169.6102151.8-121.6178.4-179.1174.50110.6
323E27.6Very low31.7Very low191 Ų191149.1 Ų149.189%0.89378%0.779SS**  172.4105.2120.1-95.4-171.6165.200110.1
324E28.6Very low31.3Very low206 Ų206153.4 Ų153.496%0.96380%0.797SS**  trans-145.3120.9144.4-107.8-168.9159.200107.9
325G26.9Very low31.1Very low74 Ų74154.4 Ų154.476%0.76381%0.811SS**  trans173.245.2-177.400000115.2
326Q32Very low31.1Very low196 Ų196153.3 Ų153.392%0.91681%0.814SS**  trans-138.9105.4161.9-73.8-170.4100110.1
327N26.6Very low31.4Very low159 Ų159154.6 Ų154.685%0.8583%0.828SS**  161.9100.6126-175.818.4000110.8
328S28.4Very low31.7Very low102 Ų102155.1 Ų155.171%0.71382%0.823SS**  trans171.9110.7135.552.80000110.3
329E30.8Very low31.7Very low193 Ų193161.1 Ų161.190%0.90283%0.833SS**  -177.6103.8123.9-99.1179.5139.100111.1
330K33.9Very low31.6Very low206 Ų206165.1 Ų165.190%0.89684%0.843SS**  trans-72.8135.1155.4-82.6172173.8164.90107.5
331K30.7Very low31.8Very low168 Ų168167.3 Ų167.373%0.7384%0.843SS**  141.3117110.2-159.4170.7-168.2177.40114
332R30.6Very low31.8Very low216 Ų216167.5 Ų167.582%0.81584%0.841SS**  trans67.4119.3145.4-74.9175.3161.4178.1-10.5119
333K32.8Very low31.8Very low205 Ų205165.8 Ų165.889%0.89184%0.84SS**  -160.5128.491.6-135.3171.5-178.9176.80111.6
334N34.9Very low32Very low147 Ų147164.3 Ų164.379%0.78684%0.837SS**  trans-94.8130.2171.8-172.114.7000107.4
335T35.1Very low32.3Very low137 Ų137161.7 Ų161.784%0.8483%0.829SS**  trans-158.1100.2149.338.20000108.1
336G34.9Very low32.6Very low62 Ų62167.5 Ų167.564%0.63983%0.834SS**  trans-85.8174155.500000111.5
337A37.7Very low32.7Very low98 Ų98165.5 Ų165.581%0.8183%0.828SS**  trans85.7133.7170.100000115.1
338K36.3Very low33.1Very low171 Ų171166 Ų16674%0.74383%0.826SS**  cis-164141.231.3-142.6172.3-166.1-150.20111.1K340K338-K340 VanDerWaalsContact CD-O 3.29Å; K338-K340 WeakPolarHBondContact CD-O 3.29Å; K338-K340 WeakPolarHBondContact CE-O 3.39Å; K338-K340 WeakPolarHBondContact CG-O 2.99Å; K338-K340 PolarHBondContact NZ-O 3.46Å
339K32.5Very low33.5Very low211 Ų211171.3 Ų171.392%0.91784%0.835SS**  trans-111.3127140.1-143.1174.4-171178.10105.7
340K31.9Very low33.8Very low242 Ų242169.4 Ų169.4100%1.05283%0.829SS**  trans85.30-173.1-64.4-170.5171.4-176.50117.1K338K338-K340 VanDerWaalsContact CD-O 3.29Å; K338-K340 WeakPolarHBondContact CD-O 3.29Å; K338-K340 WeakPolarHBondContact CE-O 3.39Å; K338-K340 WeakPolarHBondContact CG-O 2.99Å; K338-K340 PolarHBondContact NZ-O 3.46Å

Retrieved 340 of 340 residues in 381.3 ms (Link to these results)

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