A0A3Q0KVI1_SCHMA Loading...

Tudor domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KVI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 384 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
1M66.2Low85.5Confident242 Ų242118.1 Ų118.1100%1.19263%0.628SS**  0126.40-67.8171177.800107.5
2T76.4Confident85.3Confident144 Ų144115.5 Ų115.588%0.88361%0.614SS**PPolyproline II helixtrans-91.1118.517241.10000109.2
3I87.9Confident85.3Confident111 Ų111115.2 Ų115.257%0.56961%0.607SS**PPolyproline II helixtrans-76.4137.6173.2-56173.6000107.3Q7 A8I3-Q7 HydrophobicContact CG2-CB 3.46Å; I3-Q7 VanDerWaalsContact CG2-CB 3.46Å; I3-A8 HydrophobicContact CG2-CB 4.41Å
4S91.2Very high85.3Confident46 Ų46114.2 Ų114.232%0.32260%0.597SS.*PPolyproline II helixtrans-71.3156.7175.477.70000111.3E6 Q7 A8S4-E6 PolarHBondContact O-N 3.1Å; S4-Q7 VanDerWaalsContact N-OE1 3.08Å; S4-Q7 PolarHBondContact O-N 2.92Å; S4-Q7 VanDerWaalsContact O-N 3.14Å; S4-Q7 WeakPolarHBondContact OG-CG 3.33Å; S4-Q7 PolarHBondContact OG-N 3.14Å; S4-Q7 VanDerWaalsContact OG-N 3.14Å; S4-A8 PolarHBondContact O-N 3.3Å
5L88.2Confident84.7Confident160 Ų160118 Ų11884%0.83860%0.6SS**Hα-helixtrans-58.7-36.7176.5-73.6170.7000112A8 L9L5-A8 PolarHBondContact O-N 3.14Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.32Å
6E90.2Very high84.1Confident152 Ų152114.3 Ų114.371%0.7158%0.58SS**Hα-helixtrans-63.2-46.5174.2-59.9178.7149.700111.8S4 A8 L9 I10S4-E6 PolarHBondContact O-N 3.1Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 3.37Å; E6-L9 PolarHBondContact O-N 3.43Å; E6-I10 VanDerWaalsContact O-CG1 3.29Å; E6-I10 WeakPolarHBondContact O-CG1 3.45Å; E6-I10 PolarHBondContact O-N 3.14Å
7Q89.8Confident84Confident104 Ų104115.2 Ų115.249%0.48658%0.582SS.*Hα-helixtrans-61.9-40176.1-74.5170.3-11.900111.8I3 S4 I10 I11I3-Q7 HydrophobicContact CG2-CB 3.46Å; I3-Q7 VanDerWaalsContact CG2-CB 3.46Å; S4-Q7 VanDerWaalsContact N-OE1 3.08Å; S4-Q7 PolarHBondContact O-N 2.92Å; S4-Q7 VanDerWaalsContact O-N 3.14Å; S4-Q7 WeakPolarHBondContact OG-CG 3.33Å; S4-Q7 PolarHBondContact OG-N 3.14Å; S4-Q7 VanDerWaalsContact OG-N 3.14Å; Q7-I10 PolarHBondContact O-N 3.08Å; Q7-I11 WeakPolarHBondContact O-CB 3.38Å; Q7-I11 WeakPolarHBondContact O-CD1 3.48Å; Q7-I11 WeakPolarHBondContact O-CG1 3.2Å; Q7-I11 PolarHBondContact O-N 3.1Å
8A86.9Confident83.7Confident50 Ų50115 Ų11541%0.41358%0.578SS.*Hα-helixtrans-64-39.8176.300000112.1I3 S4 L5 E6 I11 L12I3-A8 HydrophobicContact CG2-CB 4.41Å; S4-A8 PolarHBondContact O-N 3.3Å; L5-A8 PolarHBondContact O-N 3.14Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 3.37Å; A8-I11 PolarHBondContact O-N 2.72Å; A8-L12 PolarHBondContact O-N 3.44Å; A8-L12 VanDerWaalsContact O-N 3.1Å
9L87.8Confident82.8Confident98 Ų98113.7 Ų113.751%0.51357%0.571SS.*Hα-helixtrans-67.1-45.4176.8-169.7145.8000111.7L5 E6 I11 L12 E13L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.32Å; E6-L9 PolarHBondContact O-N 3.43Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.15Å; L9-L12 WeakPolarHBondContact O-CB 3.43Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-E13 HydrophobicContact CD2-CG 4.13Å; L9-E13 PolarHBondContact O-N 3.12Å
10I89.4Confident82.1Confident107 Ų107112.7 Ų112.755%0.54957%0.567SS.*Hα-helixtrans-59.1-41.6175.2-67.9163.2000111.3E6 Q7 L12 E13 H14E6-I10 VanDerWaalsContact O-CG1 3.29Å; E6-I10 WeakPolarHBondContact O-CG1 3.45Å; E6-I10 PolarHBondContact O-N 3.14Å; Q7-I10 PolarHBondContact O-N 3.08Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.1Å; I10-E13 PolarHBondContact O-N 3.02Å; I10-H14 VanDerWaalsContact O-CB 3.28Å; I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 3.49Å
11I86.6Confident81.7Confident85 Ų85109.8 Ų109.844%0.43656%0.561SS.*Hα-helixtrans-63.5-36.8176-71164.1000111.4Q7 A8 L9 R15Q7-I11 WeakPolarHBondContact O-CB 3.38Å; Q7-I11 WeakPolarHBondContact O-CD1 3.48Å; Q7-I11 WeakPolarHBondContact O-CG1 3.2Å; Q7-I11 PolarHBondContact O-N 3.1Å; A8-I11 PolarHBondContact O-N 2.72Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.15Å; I11-R15 WeakPolarHBondContact O-CG 3.44Å; I11-R15 PolarHBondContact O-N 2.94Å; I11-R15 VanDerWaalsContact O-N 3.13Å
12L83Confident81.7Confident87 Ų87100 Ų10046%0.45551%0.511SS..Hα-helixtrans-70-47.3177.8-175.263.3000111.7A8 L9 I10 H14 R15 Q16A8-L12 PolarHBondContact O-N 3.44Å; A8-L12 VanDerWaalsContact O-N 3.1Å; L9-L12 WeakPolarHBondContact O-CB 3.43Å; L9-L12 PolarHBondContact O-N 3.06Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.1Å; L12-H14 PolarHBondContact O-N 3.38Å; L12-R15 PolarHBondContact O-N 2.93Å; L12-Q16 WeakPolarHBondContact O-CG 3.26Å; L12-Q16 PolarHBondContact O-N 3.47Å
13E85.1Confident81Confident112 Ų11297 Ų9752%0.52349%0.487SS..Hα-helixtrans-60.1-45.1176.4-70.2-171.2148.400111.8L9 I10 R15 Q16 Q17L9-E13 HydrophobicContact CD2-CG 4.13Å; L9-E13 PolarHBondContact O-N 3.12Å; I10-E13 PolarHBondContact O-N 3.02Å; E13-R15 VanDerWaalsContact C-N 3.32Å; E13-R15 PolarHBondContact O-N 3.24Å; E13-Q16 WeakPolarHBondContact O-CB 3.5Å; E13-Q16 PolarHBondContact O-N 2.99Å; E13-Q16 VanDerWaalsContact O-N 3.1Å; E13-Q17 PolarHBondContact O-N 3.38Å
14H84.8Confident80.3Confident101 Ų10197.2 Ų97.247%0.46849%0.486SS..Hα-helixtrans-59.8-40.9176.1-179-99.6000112I10 L12 Q17 Q18I10-H14 VanDerWaalsContact O-CB 3.28Å; I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 3.49Å; L12-H14 PolarHBondContact O-N 3.38Å; H14-Q17 PolarHBondContact O-N 3.17Å; H14-Q18 VanDerWaalsContact CE1-CD 3.42Å; H14-Q18 PolarHBondContact CE1-NE2 3.3Å; H14-Q18 WeakPolarHBondContact O-CG 3.32Å; H14-Q18 PolarHBondContact O-N 2.85Å
15R77.4Confident79.4Confident171 Ų17199.8 Ų99.865%0.64549%0.493SS*.Hα-helixtrans-65.2-36.6173.6-79.5-176.4175.8-130.51.2113I11 L12 E13 M19I11-R15 WeakPolarHBondContact O-CG 3.44Å; I11-R15 PolarHBondContact O-N 2.94Å; I11-R15 VanDerWaalsContact O-N 3.13Å; L12-R15 PolarHBondContact O-N 2.93Å; E13-R15 VanDerWaalsContact C-N 3.32Å; E13-R15 PolarHBondContact O-N 3.24Å; R15-M19 WeakPolarHBondContact O-CB 3.43Å; R15-M19 PolarHBondContact O-N 2.71Å
16Q75.4Confident78.3Confident58 Ų5895 Ų9527%0.27147%0.468SS..Hα-helixtrans-65.1-45.2174.4-68.9-65.8-39.600111.3L12 E13 M19 L20 Y214L12-Q16 WeakPolarHBondContact O-CG 3.26Å; L12-Q16 PolarHBondContact O-N 3.47Å; E13-Q16 WeakPolarHBondContact O-CB 3.5Å; E13-Q16 PolarHBondContact O-N 2.99Å; E13-Q16 VanDerWaalsContact O-N 3.1Å; Q16-M19 PolarHBondContact O-N 3.39Å; Q16-L20 PolarHBondContact O-N 3.43Å; Q16-Y214 PolarHBondContact NE2-OH 3.17Å
17Q82.3Confident76.9Confident131 Ų13191.7 Ų91.761%0.61245%0.451SS*.Hα-helixtrans-61.9-43.9176.3-70.1-179.31.400112.2E13 H14 M19 L20 A21E13-Q17 PolarHBondContact O-N 3.38Å; H14-Q17 PolarHBondContact O-N 3.17Å; Q17-M19 VanDerWaalsContact C-N 3.35Å; Q17-M19 PolarHBondContact O-N 3.23Å; Q17-L20 PolarHBondContact O-N 3.13Å; Q17-A21 WeakPolarHBondContact O-CB 3.28Å; Q17-A21 PolarHBondContact O-N 3.07Å
18Q77.8Confident75.8Confident111 Ų11192.4 Ų92.452%0.51946%0.455SS..Hα-helixtrans-61.1-40.9174.8-75.1-173.6-34.900112.5H14 F22H14-Q18 VanDerWaalsContact CE1-CD 3.42Å; H14-Q18 PolarHBondContact CE1-NE2 3.3Å; H14-Q18 WeakPolarHBondContact O-CG 3.32Å; H14-Q18 PolarHBondContact O-N 2.85Å; Q18-F22 WeakPolarHBondContact O-CB 3.05Å; Q18-F22 PolarHBondContact O-N 2.93Å
19M67.2Low75Confident91 Ų9192.8 Ų92.845%0.44845%0.452SS..Hα-helixtrans-64.9-42.1177.1-167.1-172.9-5100111.9R15 Q16 Q17 F22 Q23R15-M19 WeakPolarHBondContact O-CB 3.43Å; R15-M19 PolarHBondContact O-N 2.71Å; Q16-M19 PolarHBondContact O-N 3.39Å; Q17-M19 VanDerWaalsContact C-N 3.35Å; Q17-M19 PolarHBondContact O-N 3.23Å; M19-F22 PolarHBondContact O-N 3.48Å; M19-Q23 WeakPolarHBondContact O-CG 3.04Å; M19-Q23 PolarHBondContact O-N 3.49Å
20L68.3Low73.6Confident92 Ų9291.3 Ų91.348%0.48245%0.446SS..Hα-helixtrans-64.8-46.7177.6-17566.5000111.7Q16 Q17 F22 Q23 Q24Q16-L20 PolarHBondContact O-N 3.43Å; Q17-L20 PolarHBondContact O-N 3.13Å; L20-F22 VanDerWaalsContact C-N 3.35Å; L20-F22 PolarHBondContact O-N 2.99Å; L20-Q23 PolarHBondContact O-N 2.97Å; L20-Q24 WeakPolarHBondContact O-CG 3.44Å; L20-Q24 PolarHBondContact O-N 2.76Å
21A74.5Confident72.2Confident53 Ų5388.2 Ų88.244%0.43843%0.431SS..Hα-helixtrans-62.2-40.9177.500000112Q17 Q24 Q25Q17-A21 WeakPolarHBondContact O-CB 3.28Å; Q17-A21 PolarHBondContact O-N 3.07Å; A21-Q24 PolarHBondContact O-N 2.99Å; A21-Q25 WeakPolarHBondContact O-CB 3.23Å; A21-Q25 PolarHBondContact O-N 3.3Å
22F66.2Low70.9Confident36 Ų3688.5 Ų88.516%0.15843%0.433CS..Hα-helixtrans-63.9-40.9174.9179.8-117.6000112.3Q18 M19 L20 Q25 L26 L299 P300 Y302Q18-F22 WeakPolarHBondContact O-CB 3.05Å; Q18-F22 PolarHBondContact O-N 2.93Å; M19-F22 PolarHBondContact O-N 3.48Å; L20-F22 VanDerWaalsContact C-N 3.35Å; L20-F22 PolarHBondContact O-N 2.99Å; F22-Q25 PolarHBondContact O-N 3.01Å; F22-L26 HydrophobicContact CD1-CD1 4Å; F22-L26 HydrophobicContact CE1-CD1 3.62Å; F22-L26 HydrophobicContact CE1-CG 4.34Å; F22-L26 HydrophobicContact CE2-CD1 4.42Å; F22-L26 HydrophobicContact CE2-CD2 4.47Å; F22-L26 HydrophobicContact CE2-CG 4.27Å; F22-L26 HydrophobicContact CZ-CD1 3.86Å; F22-L26 HydrophobicContact CZ-CD2 4.3Å; F22-L26 HydrophobicContact CZ-CG 4.15Å; F22-L26 WeakPolarHBondContact O-CG 3.31Å; F22-L26 PolarHBondContact O-N 2.79Å; F22-L299 HydrophobicContact CD2-CD2 4.07Å; F22-L299 HydrophobicContact CD2-CG 4Å; F22-L299 HydrophobicContact CE2-CB 4.27Å; F22-L299 HydrophobicContact CE2-CD2 4.02Å; F22-L299 HydrophobicContact CE2-CG 4.05Å; F22-P300 HydrophobicContact CE1-CB 4.29Å; F22-P300 HydrophobicContact CE1-CG 3.93Å; F22-P300 HydrophobicContact CE2-CG 4.38Å; F22-P300 HydrophobicContact CZ-CB 3.84Å; F22-P300 HydrophobicContact CZ-CG 3.79Å; F22-Y302 HydrophobicContact CE1-CE2 4.05Å; F22-Y302 AromaticContact CZ-CE2 3.68Å; F22-Y302 HydrophobicContact CZ-CE2 3.68Å
23Q61Low69.9Low80 Ų8090 Ų9037%0.37444%0.436SS..Hα-helixtrans-67.2-37175.3-74.8-173.61.700112.9M19 L20 L26 F27M19-Q23 WeakPolarHBondContact O-CG 3.04Å; M19-Q23 PolarHBondContact O-N 3.49Å; L20-Q23 PolarHBondContact O-N 2.97Å; Q23-L26 PolarHBondContact O-N 3.05Å; Q23-F27 WeakPolarHBondContact O-CB 3.44Å; Q23-F27 PolarHBondContact O-N 3.37Å
24Q72.5Confident68.2Low116 Ų11691.8 Ų91.854%0.54244%0.443SS..Hα-helixtrans-61.7-48170.9-73.2174.1-18.500111L20 A21 L26 F27 E28L20-Q24 WeakPolarHBondContact O-CG 3.44Å; L20-Q24 PolarHBondContact O-N 2.76Å; A21-Q24 PolarHBondContact O-N 2.99Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-L26 PolarHBondContact O-N 2.84Å; Q24-F27 WeakPolarHBondContact O-CB 3.15Å; Q24-F27 PolarHBondContact O-N 2.74Å; Q24-F27 VanDerWaalsContact O-N 3.1Å; Q24-E28 WeakPolarHBondContact O-CG 3.2Å; Q24-E28 PolarHBondContact O-N 2.85Å
25Q73.4Confident66.5Low101 Ų10193.2 Ų93.247%0.47245%0.448SS..Hα-helixtrans-62-38.3178.3-172.7175.4-3.900112.7A21 F22 T29A21-Q25 WeakPolarHBondContact O-CB 3.23Å; A21-Q25 PolarHBondContact O-N 3.3Å; F22-Q25 PolarHBondContact O-N 3.01Å; Q25-T29 VanDerWaalsContact O-CB 3.24Å; Q25-T29 WeakPolarHBondContact O-CB 3.2Å; Q25-T29 PolarHBondContact O-N 3.04Å; Q25-T29 PolarHBondContact O-OG1 3.06Å
26L64Low65.4Low58 Ų5889.4 Ų89.430%0.30444%0.44SS..Hα-helixtrans-62.5-44.8171.4-75.2172.2000111.8F22 Q23 Q24 T29 V30 Y302F22-L26 HydrophobicContact CD1-CD1 4Å; F22-L26 HydrophobicContact CE1-CD1 3.62Å; F22-L26 HydrophobicContact CE1-CG 4.34Å; F22-L26 HydrophobicContact CE2-CD1 4.42Å; F22-L26 HydrophobicContact CE2-CD2 4.47Å; F22-L26 HydrophobicContact CE2-CG 4.27Å; F22-L26 HydrophobicContact CZ-CD1 3.86Å; F22-L26 HydrophobicContact CZ-CD2 4.3Å; F22-L26 HydrophobicContact CZ-CG 4.15Å; F22-L26 WeakPolarHBondContact O-CG 3.31Å; F22-L26 PolarHBondContact O-N 2.79Å; Q23-L26 PolarHBondContact O-N 3.05Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-L26 PolarHBondContact O-N 2.84Å; L26-T29 PolarHBondContact O-N 3.07Å; L26-V30 WeakPolarHBondContact O-CB 3.39Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.37Å; L26-V30 PolarHBondContact O-N 3.16Å; L26-Y302 HydrophobicContact CD1-CE2 4.03Å; L26-Y302 HydrophobicContact CD2-CD2 4.28Å; L26-Y302 HydrophobicContact CD2-CE2 4Å
27F62.6Low64.4Low84 Ų8492.3 Ų92.337%0.36846%0.457SS..Hα-helixtrans-61.6-50.7179.3-177-104.9000111.5Q23 Q24 T29 V30 L31Q23-F27 WeakPolarHBondContact O-CB 3.44Å; Q23-F27 PolarHBondContact O-N 3.37Å; Q24-F27 WeakPolarHBondContact O-CB 3.15Å; Q24-F27 PolarHBondContact O-N 2.74Å; Q24-F27 VanDerWaalsContact O-N 3.1Å; F27-T29 PolarHBondContact O-N 3.4Å; F27-V30 PolarHBondContact O-N 3.03Å; F27-V30 VanDerWaalsContact O-N 3.17Å; F27-L31 HydrophobicContact CD1-CD1 4.02Å; F27-L31 HydrophobicContact CD1-CG 4.3Å; F27-L31 HydrophobicContact CE1-CD1 3.43Å; F27-L31 VanDerWaalsContact CE1-CD1 3.43Å; F27-L31 HydrophobicContact CE1-CG 4.04Å; F27-L31 HydrophobicContact CE2-CD1 4.5Å; F27-L31 HydrophobicContact CE2-CD2 4.36Å; F27-L31 HydrophobicContact CE2-CG 4.42Å; F27-L31 HydrophobicContact CZ-CD1 3.72Å; F27-L31 HydrophobicContact CZ-CD2 4.25Å; F27-L31 HydrophobicContact CZ-CG 4.11Å; F27-L31 WeakPolarHBondContact O-CG 3.17Å; F27-L31 PolarHBondContact O-N 3.26Å
28E66.6Low62.5Low119 Ų11989 Ų8956%0.55646%0.459SS*.Hα-helixtrans-59.5-44.9175.2-64.4-53.9141.500111.7Q24 V30 L31 D32Q24-E28 WeakPolarHBondContact O-CG 3.2Å; Q24-E28 PolarHBondContact O-N 2.85Å; E28-V30 PolarHBondContact O-N 3.46Å; E28-L31 PolarHBondContact O-N 3.22Å; E28-D32 WeakPolarHBondContact O-CB 3.49Å; E28-D32 PolarHBondContact O-N 2.66Å
29T68.5Low61Low57 Ų5788 Ų8835%0.3547%0.47SS..Hα-helixtrans-61.2-32.9177.5-58.80000112.5Q25 L26 F27 K33Q25-T29 VanDerWaalsContact O-CB 3.24Å; Q25-T29 WeakPolarHBondContact O-CB 3.2Å; Q25-T29 PolarHBondContact O-N 3.04Å; Q25-T29 PolarHBondContact O-OG1 3.06Å; L26-T29 PolarHBondContact O-N 3.07Å; F27-T29 PolarHBondContact O-N 3.4Å; T29-K33 HydrophobicContact CG2-CD 4.38Å; T29-K33 WeakPolarHBondContact O-CD 3.38Å; T29-K33 VanDerWaalsContact O-CG 3.28Å; T29-K33 WeakPolarHBondContact O-CG 3.38Å; T29-K33 PolarHBondContact O-N 3.02Å
30V59.6Low60.2Low67 Ų6792.8 Ų92.841%0.40649%0.488SS..Hα-helixtrans-77-44.8176.3166.80000110.7L26 F27 E28 K33 F34L26-V30 WeakPolarHBondContact O-CB 3.39Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.37Å; L26-V30 PolarHBondContact O-N 3.16Å; F27-V30 PolarHBondContact O-N 3.03Å; F27-V30 VanDerWaalsContact O-N 3.17Å; E28-V30 PolarHBondContact O-N 3.46Å; V30-K33 PolarHBondContact O-N 3.1Å; V30-F34 HydrophobicContact CG1-CD2 3.64Å; V30-F34 HydrophobicContact CG1-CE2 3.7Å; V30-F34 VanDerWaalsContact O-CD2 3.31Å; V30-F34 WeakPolarHBondContact O-CD2 3.5Å; V30-F34 PolarHBondContact O-N 3.41Å
31L59.3Low59Low42 Ų4297.2 Ų97.222%0.2251%0.508CS..Hα-helixtrans-61.7-46.1177-70.2-164.9000112.1F27 E28 K33 F34 F35F27-L31 HydrophobicContact CD1-CD1 4.02Å; F27-L31 HydrophobicContact CD1-CG 4.3Å; F27-L31 HydrophobicContact CE1-CD1 3.43Å; F27-L31 VanDerWaalsContact CE1-CD1 3.43Å; F27-L31 HydrophobicContact CE1-CG 4.04Å; F27-L31 HydrophobicContact CE2-CD1 4.5Å; F27-L31 HydrophobicContact CE2-CD2 4.36Å; F27-L31 HydrophobicContact CE2-CG 4.42Å; F27-L31 HydrophobicContact CZ-CD1 3.72Å; F27-L31 HydrophobicContact CZ-CD2 4.25Å; F27-L31 HydrophobicContact CZ-CG 4.11Å; F27-L31 WeakPolarHBondContact O-CG 3.17Å; F27-L31 PolarHBondContact O-N 3.26Å; E28-L31 PolarHBondContact O-N 3.22Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.29Å; L31-F34 PolarHBondContact O-N 3.1Å; L31-F35 HydrophobicContact CB-CD2 4.22Å; L31-F35 HydrophobicContact CB-CE2 4.21Å; L31-F35 HydrophobicContact CD2-CE2 4.09Å; L31-F35 HydrophobicContact CG-CE2 4.5Å; L31-F35 WeakPolarHBondContact O-CD2 3.46Å; L31-F35 PolarHBondContact O-N 2.97Å
32D59.9Low57.5Low92 Ų9299.1 Ų99.149%0.49252%0.524SS..Hα-helixtrans-55.3-48177.6-171.595.1000110.9E28 F34 F35 N36E28-D32 WeakPolarHBondContact O-CB 3.49Å; E28-D32 PolarHBondContact O-N 2.66Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-F34 PolarHBondContact O-N 3.13Å; D32-F35 PolarHBondContact O-N 2.95Å; D32-N36 VanDerWaalsContact O-CB 3.23Å; D32-N36 WeakPolarHBondContact O-CB 3.24Å; D32-N36 PolarHBondContact O-N 3.4Å; D32-N36 PolarHBondContact OD1-ND2 3.31Å; D32-N36 PolarHBondContact OD2-ND2 2.92Å
33K60.9Low56.6Low119 Ų119103.7 Ų103.752%0.51755%0.554SS.*Hα-helixtrans-67.5-28.1176.5-70.8174.2-174.6175.90113.7T29 V30 L31 N37T29-K33 HydrophobicContact CG2-CD 4.38Å; T29-K33 WeakPolarHBondContact O-CD 3.38Å; T29-K33 VanDerWaalsContact O-CG 3.28Å; T29-K33 WeakPolarHBondContact O-CG 3.38Å; T29-K33 PolarHBondContact O-N 3.02Å; V30-K33 PolarHBondContact O-N 3.1Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.29Å; K33-N37 WeakPolarHBondContact O-CB 3.43Å; K33-N37 PolarHBondContact O-ND2 2.9Å
34F50.9Low56.2Low149 Ų149105.2 Ų105.265%0.65457%0.572SS**Hα-helixtrans-75.3-41.1174.2-94.2-68.2000112.5V30 L31 D32V30-F34 HydrophobicContact CG1-CD2 3.64Å; V30-F34 HydrophobicContact CG1-CE2 3.7Å; V30-F34 VanDerWaalsContact O-CD2 3.31Å; V30-F34 WeakPolarHBondContact O-CD2 3.5Å; V30-F34 PolarHBondContact O-N 3.41Å; L31-F34 PolarHBondContact O-N 3.1Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-F34 PolarHBondContact O-N 3.13Å
35F48.3Very low55.1Low131 Ų131106.9 Ų106.958%0.57558%0.579SS**Hα-helixtrans-86.2-43.1-175.3-66.8-60.5000113.2L31 D32 G38L31-F35 HydrophobicContact CB-CD2 4.22Å; L31-F35 HydrophobicContact CB-CE2 4.21Å; L31-F35 HydrophobicContact CD2-CE2 4.09Å; L31-F35 HydrophobicContact CG-CE2 4.5Å; L31-F35 WeakPolarHBondContact O-CD2 3.46Å; L31-F35 PolarHBondContact O-N 2.97Å; D32-F35 PolarHBondContact O-N 2.95Å; F35-G38 PolarHBondContact O-N 2.91Å
36N54.6Low53.7Low90 Ų90111.1 Ų111.148%0.48160%0.599SS.*Hα-helixtrans-74.7-30.1-173.4-67.3-23.8000113.5D32 G38 A39D32-N36 VanDerWaalsContact O-CB 3.23Å; D32-N36 WeakPolarHBondContact O-CB 3.24Å; D32-N36 PolarHBondContact O-N 3.4Å; D32-N36 PolarHBondContact OD1-ND2 3.31Å; D32-N36 PolarHBondContact OD2-ND2 2.92Å; N36-G38 VanDerWaalsContact C-N 3.26Å; N36-G38 PolarHBondContact O-N 3.38Å; N36-A39 PolarHBondContact O-N 2.94Å
37N54.9Low53.4Low119 Ų119118 Ų11864%0.63662%0.621SS**G310 helixtrans-72.4-17.2178.6-73-44.1000113.4K33 A39K33-N37 WeakPolarHBondContact O-CB 3.43Å; K33-N37 PolarHBondContact O-ND2 2.9Å; N37-A39 VanDerWaalsContact C-N 3.28Å; N37-A39 PolarHBondContact O-N 3.03Å
38G42.5Very low52.6Low63 Ų63119.9 Ų119.965%0.64964%0.642SS**G310 helixtrans-70.8-19.4176.100000114.5F35 N36F35-G38 PolarHBondContact O-N 2.91Å; N36-G38 VanDerWaalsContact C-N 3.26Å; N36-G38 PolarHBondContact O-N 3.38Å
39A45.3Very low52.1Low90 Ų90120.9 Ų120.974%0.74466%0.656SS**G310 helixtrans-93.58.5-168.500000115.3N36 N37N36-A39 PolarHBondContact O-N 2.94Å; N37-A39 VanDerWaalsContact C-N 3.28Å; N37-A39 PolarHBondContact O-N 3.03Å
40K50.6Low51Low191 Ų191127.8 Ų127.883%0.8368%0.684SS**G310 helixtrans-123.214.8-171.2-86.2-174.6175.3177.80116.3A42K40-A42 PolarHBondContact O-N 2.86Å; K40-A42 VanDerWaalsContact O-N 3.09Å
41M42.6Very low50.3Low185 Ų185127.6 Ų127.691%0.91170%0.695SS**  trans-70.5105.9167.3-67.5-134.3-156.600109.8
42A42.4Very low49.7Very low92 Ų92131.4 Ų131.476%0.7673%0.726SS**PPolyproline II helixtrans-63.4143.717600000111.1K40K40-A42 PolarHBondContact O-N 2.86Å; K40-A42 VanDerWaalsContact O-N 3.09Å
43V48.9Very low49.6Very low132 Ų132133.7 Ų133.780%0.874%0.737SS**PPolyproline II helixtrans-61.7127.8171.5178.80000108.6E45V43-E45 PolarHBondContact O-N 2.89Å
44P51.8Low48.8Very low113 Ų113133.4 Ų133.473%0.73475%0.747SS**PPolyproline II helixtrans-67.5116.5171.127.9-32.3000109E46P44-E46 PolarHBondContact O-N 3.02Å; P44-E46 VanDerWaalsContact O-N 3.14Å
45E49.1Very low48.9Very low151 Ų151135.4 Ų135.471%0.70676%0.755SS**  trans-66.7105.8176.3-178.4-177-117.600109.8V43 R47V43-E45 PolarHBondContact O-N 2.89Å; E45-R47 PolarHBondContact O-N 3.24Å; E45-R47 IonicContact OE2-NE 3.78Å; E45-R47 IonicContact OE2-NH2 3.88Å
46E44.3Very low48.6Very low190 Ų190135.5 Ų135.589%0.88877%0.767SS**  trans-65.6106.6174.3-73.8-166.2144.300110.2P44P44-E46 PolarHBondContact O-N 3.02Å; P44-E46 VanDerWaalsContact O-N 3.14Å
47R58.1Low48.7Very low201 Ų201136.8 Ų136.876%0.75878%0.783SS**  trans-81.6127.8170.1-64.9-176.6178.1-173.4-1.8109E45 V49E45-R47 PolarHBondContact O-N 3.24Å; E45-R47 IonicContact OE2-NE 3.78Å; E45-R47 IonicContact OE2-NH2 3.88Å; R47-V49 PolarHBondContact O-N 3.49Å
48P46Very low48.2Very low124 Ų124139.2 Ų139.281%0.80580%0.796SS**  trans-64.4135.7177.527.2-34000110.2E50P48-E50 PolarHBondContact O-N 3.47Å
49V55Low48.6Very low141 Ų141139.8 Ų139.886%0.85580%0.802SS**  trans-76109.8173.5176.30000108.8R47 G51R47-V49 PolarHBondContact O-N 3.49Å; V49-G51 PolarHBondContact O-N 3Å
50E46.4Very low48.6Very low201 Ų201145.9 Ų145.994%0.93981%0.812SS**  trans-77.396.9-179.2-171.8167.8-139.700110.5P48P48-E50 PolarHBondContact O-N 3.47Å
51G43.7Very low48.4Very low63 Ų63140.4 Ų140.465%0.64981%0.809SS**  trans158.371.2176.900000116.2V49V49-G51 PolarHBondContact O-N 3Å
52S47.3Very low48.7Very low123 Ų123141.5 Ų141.586%0.8681%0.809SS**  trans-153.4137.4161.8-81.40000111.3
53I57.6Low48.6Very low140 Ų140146.2 Ų146.272%0.71882%0.817SS**  trans-86.5126-168.5-60.5168.3000110.2F55I53-F55 HydrophobicContact CG2-CD2 4.28Å; I53-F55 HydrophobicContact CG2-CE2 4.03Å; I53-F55 PolarHBondContact O-N 3Å
54P44.5Very low48.1Very low112 Ų112143.2 Ų143.273%0.72781%0.813SS**  trans-81.1109175.631.3-32.2000111.1
55F52.6Low47.7Very low191 Ų191147.3 Ų147.384%0.83882%0.819SS**  trans-86112.2166.5-82.8-80.4000110.7I53I53-F55 HydrophobicContact CG2-CD2 4.28Å; I53-F55 HydrophobicContact CG2-CE2 4.03Å; I53-F55 PolarHBondContact O-N 3Å
56T42.8Very low47.2Very low133 Ų133148.4 Ų148.482%0.81683%0.829SS**  trans-85.4136.8174.651.30000112
57S56.9Low47Very low118 Ų118144.6 Ų144.683%0.82583%0.83SS**  trans-148.3122.615759.80000111.2
58D44.4Very low46.2Very low170 Ų170138 Ų13891%0.90983%0.825SS**  trans-68.4150.4174.9-86-73.7000113
59G49.8Very low46.4Very low74 Ų74137.8 Ų137.876%0.76383%0.826SS**  trans-166.152.9-175.400000115.8G61G59-G61 PolarHBondContact O-N 3.32Å
60K45.7Very low45.8Very low219 Ų219138.2 Ų138.295%0.95282%0.819SS**  trans-62.6117.6175.1-90.6173.7176.2161.80112.1
61G46.8Very low45.5Very low75 Ų75135.8 Ų135.877%0.77381%0.807SS**  trans-147135.316900000111.8G59G59-G61 PolarHBondContact O-N 3.32Å
62K48.3Very low45.4Very low209 Ų209139.2 Ų139.291%0.90981%0.811SS**  trans-102.4121-175.7-80.7-173.7176.2-177.80112.9
63M40.2Very low45.4Very low191 Ų191139.6 Ų139.694%0.94180%0.804SS**  42.9107.4124.5-171.1179.7-172.100118.5
64G37.9Very low44.8Very low69 Ų69141.3 Ų141.371%0.71181%0.812SS**  trans159.9122.5150.600000118.2
65K43.3Very low44.5Very low198 Ų198143.3 Ų143.386%0.86182%0.816SS**  trans69.5112.6154-61.1-178.3177.8-178.80119.8
66L39.2Very low44Very low174 Ų174141 Ų14191%0.91181%0.811SS**  41.1110.7121.5-58.1172000118.2
67A40.7Very low43.8Very low111 Ų111141.7 Ų141.792%0.91781%0.81SS**  trans-127149.3151.700000109.1
68G41.2Very low43.2Very low62 Ų62139.8 Ų139.864%0.63980%0.802SS**  trans-159.8148.2174.800000109.7
69S49.5Very low43.1Very low120 Ų120140 Ų14084%0.83980%0.797SS**  trans56.2148.3-175540000116.3
70E43.3Very low42.8Very low149 Ų149145 Ų14570%0.69680%0.8SS**  cis-165.8175-20.1-176.7153.8-170.500106.6
71Q39.6Very low42.5Very low150 Ų150139.8 Ų139.870%0.70179%0.787SS**  trans5.4136.7165-68.6145.830.300118.4
72D42.6Very low42.2Very low135 Ų135142 Ų14272%0.72279%0.786SS**  -165.1167.267.6-125.2-32.7000116.7
73N46.6Very low41.9Very low132 Ų132139 Ų13971%0.70679%0.785SS**  trans-44.2152.8176.8-58.7-69.1000118.4
74I44.3Very low41.8Very low176 Ų176135.5 Ų135.590%0.90377%0.774SS**  -179.2163.1114.3-91.2159.5000112.4
75L39.7Very low42.6Very low154 Ų154138.1 Ų138.181%0.80678%0.782SS**  trans-107178.3-160.4-112.7166.7000114.6
76L41.7Very low42.7Very low141 Ų141135.6 Ų135.674%0.73878%0.777SS**  trans91.5102.7151.1-72.9149.7000123.1
77N38.8Very low43.2Very low148 Ų148132.6 Ų132.679%0.79177%0.766SS**  95166.3105.1-142.710.9000123.1
78A44.5Very low43.7Very low79 Ų79137 Ų13765%0.65377%0.765SS**  trans77.1119.2177.100000116.3
79H41.7Very low43.8Very low173 Ų173142.3 Ų142.380%0.80177%0.773SS**  66.9143.778.4-79.7-102.2000113.4
80E43.5Very low43.9Very low179 Ų179146.8 Ų146.884%0.83678%0.777SS**  cis-147.7-163.135.2-149.6175.6144.800114.1
81T39.7Very low43.9Very low110 Ų110148.1 Ų148.168%0.67578%0.783SS**  trans-128151-155.434.30000117.2
82V40Very low44.2Very low123 Ų123143.9 Ų143.975%0.74578%0.78SS**  trans64.6127.3143.4170.70000120.4
83T41.7Very low44.4Very low144 Ų144142.7 Ų142.788%0.88378%0.782SS**  -156.8151.6129.1-20000111.5
84V38.5Very low44.4Very low119 Ų119142.4 Ų142.472%0.72179%0.785SS**  trans-122.1149.3179.4173.80000108.9
85S53.7Low44.6Very low124 Ų124139.2 Ų139.287%0.86777%0.77SS**  trans-154158.1165.7-77.60000110.2
86D45.7Very low44.9Very low144 Ų144139.7 Ų139.777%0.7777%0.765SS**  trans-148.8168.2-134.2-158.4-1.9000114.1
87V50.1Low44.9Very low111 Ų111137.4 Ų137.467%0.67377%0.767SS**  trans63.1113.8163.4-171.30000119.1
88K50.6Low45.2Very low205 Ų205137.9 Ų137.989%0.89177%0.768SS**  -167.1119.4116.2-110.1171.6-173.2169.30114.9
89E44.8Very low45.1Very low173 Ų173139 Ų13981%0.80877%0.772SS**  trans-80.7166.3167.7-61.6178.5112.900112.9
90K50.8Low45.3Very low213 Ų213136.1 Ų136.193%0.92677%0.768SS**  trans-149.8129.3148-115.7-176.2179.2-173.50111.2
91Q42.7Very low45.1Very low177 Ų177136 Ų13683%0.82777%0.768SS**  trans-107.8151.5-167.9-167.272.9-12.600113.1
92G45.9Very low45.3Very low62 Ų62135.2 Ų135.264%0.63977%0.766SS**  trans177.1123.9165.700000109.4
93S47.6Very low45.6Very low109 Ų109136.4 Ų136.476%0.76277%0.769SS**  cis66.5129.725.6129.20000113.2
94V46.8Very low45.7Very low126 Ų126138.6 Ų138.676%0.76477%0.769SS**  cis-164.2168.5-1.179.70000106.9
95D48.8Very low45.6Very low110 Ų110137.7 Ų137.759%0.58877%0.774SS**  cis-159.8-165.920.8-151.7-11.2000113.2
96K45.8Very low45Very low164 Ų164137.6 Ų137.671%0.71377%0.77SS**  trans-49.3155.2179.1-55130.1-170.5124.50120.6
97A41.7Very low45Very low93 Ų93138.2 Ų138.277%0.76977%0.773SS**  -172.8141.2119.600000108.4
98L45Very low44.5Very low157 Ų157139.9 Ų139.982%0.82278%0.778SS**  cis61128.839.2-71.4159.9000113
99S42.1Very low44.2Very low104 Ų104135.3 Ų135.373%0.72777%0.769SS**  cis-151.5-177.812.4-119.90000111.5
100P45.3Very low43.9Very low111 Ų111133.2 Ų133.272%0.72177%0.77SS**  trans-98.7-175.1-17240.5-37.1000115.2
101E39.1Very low43.6Very low178 Ų178131.4 Ų131.483%0.83277%0.769SS**  140.7145.1129.6-154.8170163.700116.9
102S44.4Very low43.6Very low92 Ų92127.8 Ų127.864%0.64376%0.764SS**  trans34.4121.5158.264.50000123.9
103N46.2Very low43.4Very low148 Ų148134.4 Ų134.479%0.79178%0.778SS**  -178.7117.7110.345.225.6000111.9
104E43.1Very low43Very low191 Ų191136.6 Ų136.689%0.89378%0.781SS**  70.6111.996.5-66.9-162.6133.700117.6
105A37.4Very low42.6Very low100 Ų100139.8 Ų139.883%0.82678%0.784SS**  trans178.8104.5132.400000112.1
106P40.9Very low42.2Very low121 Ų121141.9 Ų141.979%0.78680%0.795SS**  trans-93.2155167.636.4-32.5000111.8
107L45.2Very low41.6Very low158 Ų158143.7 Ų143.783%0.82781%0.806SS**  trans-176.5103.1154.1-107.4163.8000112.6
108N40.9Very low41.3Very low146 Ų146144.3 Ų144.378%0.78180%0.804SS**  173.2154.6116.1-89.5-49.5000112.7
109P44.6Very low41Very low108 Ų108145.2 Ų145.270%0.70180%0.804SS**PPolyproline II helixtrans-94.4170.9-164.638.1-36.8000114.6
110P38.2Very low40.7Very low129 Ų129146.8 Ų146.884%0.83880%0.804SS**PPolyproline II helixtrans-78.6158-172.332.4-37.4000114.4
111I43.9Very low40.2Very low175 Ų175149.6 Ų149.690%0.89781%0.813SS**PPolyproline II helixtrans-93.4131.2170.2-23.7177.7000108.8
112S42.4Very low40.1Very low102 Ų102150.8 Ų150.871%0.71381%0.811SS**PPolyproline II helixtrans-101.3127.2-175.156.40000112.7
113E41.8Very low39.5Very low200 Ų200150.2 Ų150.294%0.93582%0.82SS**  trans-114.464.4164.8-68.9-163.6138.600110.9K115E113-K115 PolarHBondContact O-N 2.94Å
114D39.7Very low39.1Very low155 Ų155150.4 Ų150.483%0.82982%0.82SS**  trans-84.297.1173.3-119.8-24.8000110.3
115K39Very low38.9Very low193 Ų193149 Ų14984%0.83981%0.813SS**  trans-171.3158.1156-109.8155.7-173174.30113E113E113-K115 PolarHBondContact O-N 2.94Å
116L38.5Very low39Very low155 Ų155151 Ų15181%0.81281%0.81SS**  trans74.344.1176.7-48.4-174.6000116.8
117Q33.9Very low38.9Very low202 Ų202153 Ų15394%0.94481%0.812SS**  trans-122.465.4147.5-74.7-159.5-13.500110.6
118S36.7Very low38.5Very low105 Ų105149.3 Ų149.373%0.73481%0.812SS**  trans-155.527.8-177.767.30000116
119E37.6Very low38.3Very low176 Ų176151.4 Ų151.482%0.82282%0.817SS**SBendtrans-160.4133.1174.8-102166.4-166.100107.7
120L36Very low38.1Very low137 Ų137155 Ų15572%0.71783%0.825SS**  cis-133.7123.6-6.8-79.3164.4000109.3Y122L120-Y122 HydrophobicContact CD2-CD2 4.08Å
121N35.8Very low38.3Very low171 Ų171153.2 Ų153.291%0.91482%0.815SS**  trans-105.180.6168.5-140.37.4000108.1
122Y37Very low38.1Very low202 Ų202156.6 Ų156.679%0.79282%0.817SS**  trans-137.8111.9178.8-88.9-77.2000111.3L120L120-Y122 HydrophobicContact CD2-CD2 4.08Å
123G31.6Very low37.8Very low80 Ų80159 Ų15983%0.82582%0.822SS**  trans-99.711916200000109.7
124L37Very low37.7Very low153 Ų153153.5 Ų153.580%0.80182%0.819SS**  trans-155.6100.4168.9-142.2148.2000107.1
125H39.3Very low37.8Very low161 Ų161150.4 Ų150.475%0.74582%0.815SS**  65.58794.4-117-65.8000114.9
126D38.3Very low38.1Very low141 Ų141149.7 Ų149.775%0.75481%0.814SS**  70.1171.5128.4-147.6-3.1000120.1
127I39.6Very low38.3Very low164 Ų164148.9 Ų148.984%0.84181%0.81SS**  trans76.8117.2178.3-49.7170.6000115.1
128G37Very low39.2Very low80 Ų80147.9 Ų147.983%0.82580%0.804SS**  trans168.554.4175.300000115.7
129Q36.7Very low39.6Very low190 Ų190149.1 Ų149.189%0.88880%0.802SS**  trans-99.8104.9-173.6-179.3-170.522.900113.2
130E41Very low39.9Very low184 Ų184149.3 Ų149.386%0.8680%0.803SS**  trans-154.2104.2166.6-98.4166-128.400107.9
131S41.6Very low40.5Very low91 Ų91150.5 Ų150.564%0.63681%0.81SS**  66.489.456.4-179.30000115.3
132W40.6Very low40.9Very low247 Ų247147.5 Ų147.594%0.93680%0.802SS**  trans-150.2147.1144.4-87.797.3000110.3
133N35Very low41.7Very low153 Ų153149.1 Ų149.182%0.81881%0.809SS**  trans-98.5152.9-162.6-58.4-53.2000114.5
134G40.1Very low42.5Very low84 Ų84153 Ų15387%0.86681%0.805SS**  trans-151.1108.8164.700000109.9
135A41.3Very low43.3Very low90 Ų90152.9 Ų152.974%0.74481%0.805SS**  trans-103.3144.9-167.800000113.2
136H44.8Very low43.9Very low177 Ų177154.3 Ų154.382%0.81981%0.812SS**  trans-159.7122.1147-132.6-68.2000110.1
137D44.4Very low44.3Very low138 Ų138155.2 Ų155.274%0.73881%0.812SS**  trans-79.1157.4178.3-49.8-77.6000112.3
138F51Low44.7Very low182 Ų182154.5 Ų154.580%0.79882%0.816SS**  trans-165.8126.1139.7-97.3-62.1000112.9
139D46.8Very low45.1Very low130 Ų130159 Ų15970%0.69581%0.813SS**  trans45.2101.5151.5-57.3-7000123.1
140E43.4Very low45.6Very low181 Ų181155.3 Ų155.385%0.84681%0.807SS**  46.4102.4107.1-169.5178-127.500119.6
141N48.5Very low45.8Very low162 Ų162152.9 Ų152.987%0.86681%0.805SS**  -159.1142.9120.934.492.5000111.2
142S44.6Very low45.7Very low108 Ų108156 Ų15676%0.75581%0.81SS**  trans-122.1151.8-178.2550000112
143Y53.6Low46.2Very low236 Ų236149.7 Ų149.793%0.92580%0.803SS**  trans-146.9132.9161.7-111.8-90.1000108.2
144E47.2Very low46.6Very low161 Ų161148.6 Ų148.675%0.75280%0.797SS**  trans-111.1173.8179.4-73.8-77.6-174.300110.2
145D53.5Low47Very low150 Ų150152.8 Ų152.880%0.80280%0.8SS**  trans67.4145.2172.4-59.5-42.6000116.3
146E53.2Low47.3Very low191 Ų191155.9 Ų155.989%0.89380%0.804SS**  cis-125.6166.420.6-76.7-171.5148.800115.9
147E46.4Very low47.4Very low161 Ų161157 Ų15775%0.75281%0.809SS**  trans-86.2141.9178.5179-179-154.100113.3
148T48Very low47.4Very low149 Ų149159.7 Ų159.791%0.91481%0.814SS**  trans-158.7148.2147.10.50000111.5
149K45.5Very low46.9Very low175 Ų175156.7 Ų156.776%0.76181%0.813SS**  trans-143.7152.7-161.9-169.7175.5-173.7171.40112.3
150S47.8Very low46.7Very low111 Ų111160 Ų16078%0.77682%0.821SS**  trans70159.7174.580.20000115.2
151V44.4Very low46.6Very low134 Ų134157.2 Ų157.281%0.81282%0.817SS**  cis-129.3154.98.8178.20000110.5
152E39.7Very low46.3Very low157 Ų157156.8 Ų156.873%0.73481%0.813SS**  trans-83140.4174.5179.3-179-167.800112.7N154E152-N154 PolarHBondContact OE1-ND2 3.39Å; E152-N154 VanDerWaalsContact OE1-ND2 3.1Å
153S51.3Low46.2Very low114 Ų114156.5 Ų156.580%0.79781%0.811SS**  trans-146.6111.2167.264.40000111.7
154N42.2Very low45.7Very low130 Ų130153.4 Ų153.470%0.69581%0.809SS**  trans-95.3137.9167.4-63.3-71000109E152E152-N154 PolarHBondContact OE1-ND2 3.39Å; E152-N154 VanDerWaalsContact OE1-ND2 3.1Å
155D48.6Very low45.2Very low172 Ų172152.8 Ų152.892%0.9281%0.811SS**  trans-156.9144.6158.8-119.3-30.4000110.6
156D47.7Very low44.6Very low154 Ų154152.2 Ų152.282%0.82481%0.808SS**  trans-83.6135.4-166.7-76.3-65000114.5
157Q46.5Very low44Very low200 Ų200150.6 Ų150.694%0.93581%0.806SS**  trans-156.3138.6139.3-119.5164.155.700116
158K45.4Very low43.7Very low195 Ų195148 Ų14885%0.84881%0.805SS**PPolyproline II helixtrans-87.6144.1-174.3-166.9172.9-178.4173.90111.1
159P41.5Very low43.4Very low120 Ų120146 Ų14678%0.77979%0.794SS**PPolyproline II helixtrans-67149-170.125.7-36.2000114
160K42.7Very low43Very low198 Ų198142.6 Ų142.686%0.86179%0.793SS**PPolyproline II helixtrans-93.2121.6-176.2-158.5172.8-171.6176.40110.9
161V39.3Very low42.3Very low124 Ų124147.2 Ų147.275%0.75280%0.795SS**PPolyproline II helixtrans-66.8137.7171.6174.90000109.6
162I43.4Very low42Very low152 Ų152149.6 Ų149.678%0.77980%0.797SS**  trans-119.1101.2165.4-57.2178000107.4
163S42.3Very low41.7Very low102 Ų102149.4 Ų149.471%0.71380%0.8SS**  trans-107.1121.5162.851.70000107.5
164L42.4Very low40.9Very low171 Ų171148.7 Ų148.790%0.89580%0.795SS**  trans-120.1133.2161.6-79171.9000106.8
165D36.7Very low40.4Very low149 Ų149147.9 Ų147.980%0.79780%0.799SS**  trans-117.2-176.4-172.4-144.7-22.8000109.7
166D42.3Very low39.7Very low137 Ų137146.7 Ų146.773%0.73379%0.792SS**  trans76.1137.3166-63.6-38.7000120.2
167D39.8Very low39.2Very low158 Ų158148.6 Ų148.685%0.84580%0.797SS**  trans65.8101.2154.5-65.9-20.3000122.5
168S39.5Very low38.5Very low105 Ų105145.3 Ų145.373%0.73479%0.785SS**  trans-72.2165.6157.2-158.70000111.5
169P42.1Very low38.2Very low107 Ų107143.9 Ų143.970%0.69579%0.786SS**  -143.7171.495.437.8-23.5000115.3
170S36.6Very low38.1Very low104 Ų104145.4 Ų145.473%0.72779%0.788SS**  trans-81.5136.3-179.7510000113.4
171Y34.7Very low37.9Very low209 Ų209144.4 Ų144.482%0.8279%0.786SS**  trans-91.3103.1169.1-74.5-83.7000110.9
172Q37.2Very low38Very low184 Ų184148.8 Ų148.886%0.8680%0.795SS**  trans-75.2135.5155.8-66.7-174.9-0.300109
173I33.3Very low37.8Very low153 Ų153149.2 Ų149.279%0.78580%0.799SS**  trans-126105.2170.1-63.2-177.9000108.6
174S35.3Very low37.7Very low99 Ų99147.3 Ų147.369%0.69280%0.796SS**  trans-63.2154.5163.4-140.80000109.1
175S30.7Very low37.3Very low112 Ų112146.8 Ų146.878%0.78379%0.794SS**  cis145.1-26.320.71690000111.2
176N34.9Very low37.6Very low147 Ų147146.1 Ų146.179%0.78680%0.795SS**  trans-16593.6-167.744.2-21000113.7
177E37.3Very low37.6Very low195 Ų195145.4 Ų145.491%0.91180%0.801SS**  trans-109.6121.5150.2-74.7-172.6136.400107.9
178N31.8Very low38Very low130 Ų130146.5 Ų146.570%0.69580%0.801SS**  trans-93.9144164.590.381000108.5
179L39Very low37.9Very low165 Ų165150.1 Ų150.186%0.86480%0.803SS**  trans-138.581.8164-73.7178.1000108.3
180N38.4Very low38.1Very low153 Ų153150.7 Ų150.782%0.81881%0.807SS**  trans-70.8118.8155-80-0.7000108
181E38.4Very low38.3Very low176 Ų176152.7 Ų152.782%0.82281%0.81SS**  trans168.495.6145.8-178.8164.6-133.800109
182F43Very low38.7Very low216 Ų216147.9 Ų147.995%0.94781%0.807SS**  trans-165.667.1151.7-96.9-60.3000107.2
183D37.5Very low38.8Very low161 Ų161146.8 Ų146.886%0.86181%0.807SS**  trans-79.2141.3166.9-152.7-9000108.6
184G41.3Very low39Very low63 Ų63147.2 Ų147.265%0.64981%0.811SS**  trans-179.875.1-161.500000114.6V186G184-V186 PolarHBondContact O-N 3.01Å; G184-V186 VanDerWaalsContact O-N 3.15Å
185D34.8Very low39Very low159 Ų159151.2 Ų151.285%0.8582%0.823SS**  trans-56.6111.8176.9-85.4-47.4000113.2
186V42.1Very low39Very low136 Ų136154.7 Ų154.782%0.82482%0.824SS**  trans-131.490.1156.2-176.40000108.2G184 E188G184-V186 PolarHBondContact O-N 3.01Å; G184-V186 VanDerWaalsContact O-N 3.15Å; V186-E188 PolarHBondContact O-N 2.96Å
187S41.5Very low38.8Very low121 Ų121152.4 Ų152.485%0.84682%0.82SS**  trans-78.2103.5174.1176.40000110.4
188E49.4Very low38.3Very low182 Ų182150.3 Ų150.385%0.8582%0.815SS**  trans-137.5128.7160.5-155.6166.9-13200110.4V186 P190V186-E188 PolarHBondContact O-N 2.96Å; E188-P190 WeakPolarHBondContact O-CD 3.41Å
189K36.1Very low38Very low180 Ų180151 Ų15178%0.78382%0.817SS**  trans-104.5104.5-166.7177.5-176.4174.2-178.10110N191K189-N191 PolarHBondContact O-N 3.13Å
190P46.9Very low37.5Very low119 Ų119147.4 Ų147.477%0.77380%0.802SS**  trans-72125.6175.629-33.2000110.3E188E188-P190 WeakPolarHBondContact O-CD 3.41Å
191N40.9Very low36.9Very low146 Ų146148.3 Ų148.378%0.78180%0.801SS**  trans-69.5133.6170.8-80.6-15.9000110.3K189K189-N191 PolarHBondContact O-N 3.13Å
192S42.2Very low36.5Very low109 Ų109147.1 Ų147.176%0.76280%0.795SS**SBendtrans-80.2113.116353.40000109.6
193D40.3Very low35.7Very low161 Ų161146 Ų14686%0.86179%0.792SS**  trans-167.6-35158.2-98.8-32.4000113.7L195D193-L195 VanDerWaalsContact C-N 3.26Å; D193-L195 PolarHBondContact O-N 3.24Å
194D38.2Very low35.3Very low162 Ų162143.3 Ų143.387%0.86678%0.777SS**  trans-80.128-168.9-87.8-40.9000116.9K196D194-K196 PolarHBondContact O-N 3.47Å
195L34.2Very low34.6Very low182 Ų182148.6 Ų148.695%0.95378%0.783SS**  trans-77.164.5172.7-83.5173.6000112D193D193-L195 VanDerWaalsContact C-N 3.26Å; D193-L195 PolarHBondContact O-N 3.24Å
196K31.7Very low34.3Very low185 Ų185143.6 Ų143.680%0.80476%0.756SS**  trans-103.8124.8179.7-130.2164-170.7164.60112.6D194D194-K196 PolarHBondContact O-N 3.47Å
197S28.9Very low33.6Very low100 Ų100140.2 Ų140.270%0.69974%0.738SS**  trans-42.1126-171.655.30000116.8
198N27.4Very low33Very low151 Ų151138.1 Ų138.181%0.80772%0.723SS**  trans-125.583.1157.6-94.6-45.8000109.6V200N198-V200 PolarHBondContact O-N 3.21Å; N198-V200 VanDerWaalsContact O-N 3.09Å
199I26.4Very low32Very low145 Ų145131.3 Ų131.374%0.74470%0.702SS**  trans-79.189.4175.7-58.6177.1000108.3
200V28.6Very low31.7Very low89 Ų89127.5 Ų127.554%0.53969%0.685SS.*  trans-92.8105.1177.6-171.60000109.8N198 H202N198-V200 PolarHBondContact O-N 3.21Å; N198-V200 VanDerWaalsContact O-N 3.09Å; V200-H202 WeakPolarHBondContact CG1-CE1 3.4Å; V200-H202 PolarHBondContact O-N 3.45Å
201H25.6Very low30.7Very low171 Ų171127.1 Ų127.179%0.79268%0.684SS**  trans-64.5119169.2-76.3-97.2000109.8
202H28.8Very low30.1Very low151 Ų151125.4 Ų125.470%0.69967%0.674SS**  trans-115.9118.7176.6-76-49.2000110.6V200 L204V200-H202 WeakPolarHBondContact CG1-CE1 3.4Å; V200-H202 PolarHBondContact O-N 3.45Å; H202-L204 PolarHBondContact O-N 2.93Å
203H26.5Very low29.4Very low192 Ų192128.4 Ų128.489%0.88968%0.676SS**  trans-61.2131.9174.3-84.1-97.4000111.7
204L29.5Very low28.8Very low105 Ų105128.3 Ų128.355%0.5566%0.664SS.*  trans-76.1139.9161.6-178.261.4000108.7H202 I206H202-L204 PolarHBondContact O-N 2.93Å; L204-I206 HydrophobicContact CD2-CD1 4.02Å; L204-I206 HydrophobicContact CD2-CG1 4.27Å; L204-I206 HydrophobicContact CG-CD1 4.39Å; L204-I206 HydrophobicContact CG-CG1 4.1Å
205F27.2Very low28.4Very low174 Ų174128.7 Ų128.776%0.76366%0.661SS**  trans-129.8120.6174.5-161.1-87.2000108
206I28.8Very low28.3Very low55 Ų55130.2 Ų130.228%0.28266%0.66SS.*  trans-118.6124.6178.4-57.1172.5000106.8L204L204-I206 HydrophobicContact CD2-CD1 4.02Å; L204-I206 HydrophobicContact CD2-CG1 4.27Å; L204-I206 HydrophobicContact CG-CD1 4.39Å; L204-I206 HydrophobicContact CG-CG1 4.1Å
207S26.3Very low28.2Very low64 Ų64126 Ų12645%0.44865%0.652SS.*  trans-108.7124.7168.148.30000109.7
208S29.6Very low28.4Very low78 Ų78124.8 Ų124.855%0.54564%0.641SS.*  trans-95.8138.8164.855.30000109.5
209G29.1Very low28.6Very low38 Ų38121.5 Ų121.539%0.39262%0.623SS.*  trans-139.1120.2175.400000109.7
210F28.1Very low29.5Very low101 Ų101117.3 Ų117.344%0.44360%0.602SS.*  trans-115.8142.5-174.9-50.6-75.4000110.1K221 V222F210-K221 WeakPolarHBondContact CD1-O 3.46Å; F210-V222 HydrophobicContact CE1-CG1 4.46Å; F210-V222 HydrophobicContact CE1-CG2 4.28Å
211C26.8Very low30.1Very low110 Ų110117.2 Ų117.274%0.74359%0.594SS**  trans-126123.9170.7-56.90000107.7
212I28.1Very low30.8Very low111 Ų111111.3 Ų111.357%0.56957%0.57SS**  trans-102.4118.3176.7-54.3175.1000107.2Y214I212-Y214 HydrophobicContact CG2-CD2 3.73Å; I212-Y214 HydrophobicContact CG2-CE2 3.61Å
213Q28.3Very low31.3Very low171 Ų171105.5 Ų105.580%0.79954%0.544SS*.  trans-115.5113.9174.7-167.4171.28.200109.2E215Q213-E215 PolarHBondContact O-N 3.41Å; Q213-E215 VanDerWaalsContact O-N 3.15Å
214Y27.5Very low31.8Very low159 Ų15998.8 Ų98.862%0.62451%0.514SS*.  trans-86.872-175.3-94.8-84.9000112.1Q16 I212Q16-Y214 PolarHBondContact NE2-OH 3.17Å; I212-Y214 HydrophobicContact CG2-CD2 3.73Å; I212-Y214 HydrophobicContact CG2-CE2 3.61Å
215E29.6Very low32.2Very low170 Ų17095.7 Ų95.779%0.79450%0.498SS*.SBendtrans-157.1121.6155.5-122.9-179.8160.700113Q213 C217Q213-E215 PolarHBondContact O-N 3.41Å; Q213-E215 VanDerWaalsContact O-N 3.15Å; E215-C217 PolarHBondContact O-N 3.39Å
216K32.7Very low32.7Very low215 Ų21591.1 Ų91.194%0.93548%0.484SS*.SBendtrans46.8-4.6170.4-83.9176.2175.5170.30120.9
217C29.3Very low32.7Very low95 Ų9590.3 Ų90.364%0.64249%0.49SS*.  trans-148.4100176.4-91.60000111.9E215 L219E215-C217 PolarHBondContact O-N 3.39Å; C217-L219 PolarHBondContact O-N 3.22Å; C217-L219 VanDerWaalsContact O-N 3.1Å
218V31.7Very low33Very low76 Ų7696.7 Ų96.746%0.46150%0.504SS..  trans-74103.1173.6-176.70000109.4
219L32.9Very low33Very low81 Ų8198.1 Ų98.142%0.42451%0.505SS..EExtended strand (participates in β ladder)trans-112.282.6-176.1-159.4165.2000109.5C217 K221 K242C217-L219 PolarHBondContact O-N 3.22Å; C217-L219 VanDerWaalsContact O-N 3.1Å; L219-K221 PolarHBondContact O-N 3.46Å; L219-K221 VanDerWaalsContact O-N 3.07Å; L219-K242 HydrophobicContact CG-CG 4.31Å
220N44.3Very low33.1Very low58 Ų58107 Ų10731%0.3153%0.528SS..EExtended strand (participates in β ladder)trans-74.4101.7-179.9-77.1-7.1000110.1L241N220-L241 HydrophobicContact CB-CB 4.48Å; N220-L241 PolarHBondContact N-O 3.38Å; N220-L241 VanDerWaalsContact N-O 3.16Å; N220-L241 PolarHBondContact O-N 3.47Å
221K42.5Very low33.4Very low87 Ų87110.6 Ų110.638%0.37854%0.544SS..EExtended strand (participates in β ladder)trans-80.2115.2169.3-172.8-171.9-178.8-168.20109.2F210 L219 I223 I238F210-K221 WeakPolarHBondContact CD1-O 3.46Å; L219-K221 PolarHBondContact O-N 3.46Å; L219-K221 VanDerWaalsContact O-N 3.07Å; K221-I223 HydrophobicContact CD-CD1 4.47Å; K221-I223 HydrophobicContact CD-CG1 4.33Å; K221-I223 HydrophobicContact CG-CG1 4.3Å; K221-I238 HydrophobicContact CG-CG2 4.08Å
222V38.9Very low33.5Very low47 Ų47108.3 Ų108.329%0.28554%0.539SS..EExtended strand (participates in β ladder)trans-112106.2173.8-173.60000107.9F210 F239 L241F210-V222 HydrophobicContact CE1-CG1 4.46Å; F210-V222 HydrophobicContact CE1-CG2 4.28Å; V222-F239 CarbonylContact C-O 3.57Å; V222-F239 HydrophobicContact CB-CB 4.39Å; V222-F239 PolarHBondContact N-O 2.96Å; V222-F239 WeakPolarHBondContact O-CA 3.45Å; V222-F239 WeakPolarHBondContact O-CB 3.34Å; V222-F239 PolarHBondContact O-N 2.83Å; V222-F239 VanDerWaalsContact O-O 3.04Å; V222-L241 HydrophobicContact CG2-CD1 4.19Å
223I39.9Very low33.9Very low28 Ų28104.8 Ų104.814%0.14453%0.527CS..EExtended strand (participates in β ladder)trans-84.9122.2173.7-52.3174.8000107.8K221 I225 E236K221-I223 HydrophobicContact CD-CD1 4.47Å; K221-I223 HydrophobicContact CD-CG1 4.33Å; K221-I223 HydrophobicContact CG-CG1 4.3Å; I223-I225 HydrophobicContact CG2-CG1 3.99Å; I223-E236 HydrophobicContact CG2-CG 3.97Å
224L36.7Very low34.5Very low52 Ų52101.1 Ų101.127%0.27251%0.508SS..EExtended strand (participates in β ladder)trans-117.2109.5174-174.173.3000108.8T226 V237 F239L224-T226 VanDerWaalsContact C-N 3.33Å; L224-T226 HydrophobicContact CD2-CG2 4.26Å; L224-T226 HydrophobicContact CG-CG2 4.45Å; L224-T226 PolarHBondContact O-N 3.48Å; L224-T226 VanDerWaalsContact O-N 3.12Å; L224-V237 PolarHBondContact N-O 3.01Å; L224-V237 WeakPolarHBondContact O-CB 3.43Å; L224-V237 PolarHBondContact O-N 2.65Å; L224-F239 HydrophobicContact CB-CD2 3.9Å; L224-F239 HydrophobicContact CB-CE2 3.84Å; L224-F239 HydrophobicContact CD2-CE2 3.84Å; L224-F239 HydrophobicContact CG-CE2 4.48Å
225I38.8Very low35Very low39 Ų3996.2 Ų96.220%0.249%0.489CS..  trans-89.872.4-179.7-49.8-178.7000109.5I223 G227I223-I225 HydrophobicContact CG2-CG1 3.99Å; I225-G227 PolarHBondContact O-N 3.46Å
226T36Very low35.6Very low79 Ų7990 Ų9049%0.48546%0.46SS..  trans-79.8103.2175.67.60000110.9L224L224-T226 VanDerWaalsContact C-N 3.33Å; L224-T226 HydrophobicContact CD2-CG2 4.26Å; L224-T226 HydrophobicContact CG-CG2 4.45Å; L224-T226 PolarHBondContact O-N 3.48Å; L224-T226 VanDerWaalsContact O-N 3.12Å
227G30Very low36Very low38 Ų3880.6 Ų80.639%0.39242%0.42SS..  trans-80.8148.7-178.100000114.6I225I225-G227 PolarHBondContact O-N 3.46Å
228R32.8Very low36.9Very low198 Ų19876.9 Ų76.975%0.74739%0.394SS*.  trans66.276.5176.4-66.7-173.8170.9-179.2-2.1116.4
229L29.5Very low37.4Very low107 Ų10775 Ų7556%0.5638%0.379SS*.  trans-64.7162.9136.8-74.9165.4000109.9F231 Y235L229-F231 PolarHBondContact O-N 2.99Å; L229-Y235 HydrophobicContact CB-CD2 4.23Å; L229-Y235 HydrophobicContact CB-CE2 3.97Å; L229-Y235 HydrophobicContact CD1-CD2 3.95Å; L229-Y235 HydrophobicContact CD1-CE2 4Å; L229-Y235 HydrophobicContact CD1-CG 4.49Å; L229-Y235 HydrophobicContact CG-CD2 4.44Å
230Y30.4Very low37.9Very low226 Ų22672.3 Ų72.389%0.88637%0.367SS*.THydrogen-bonded Turntrans-61.922.1-166-83.2-95.8000118.5
231F33.8Very low37.8Very low175 Ų17572.8 Ų72.877%0.76837%0.37SS*.THydrogen-bonded Turntrans-133.920.6-176-65.9-77.2000114.4L229 A233L229-F231 PolarHBondContact O-N 2.99Å; F231-A233 PolarHBondContact O-N 2.88Å
232G29.5Very low38Very low63 Ų6374.6 Ų74.665%0.64938%0.377SS*.SBendtrans72.1-18.717800000115.7
233A36.5Very low38.1Very low37 Ų3776.2 Ų76.231%0.30638%0.381SS..  trans-63.9143.1174.500000112.8F231 Y235F231-A233 PolarHBondContact O-N 2.88Å; A233-Y235 HydrophobicContact CB-CD2 4.42Å; A233-Y235 HydrophobicContact CB-CE2 3.69Å
234K41.1Very low38.6Very low94 Ų9480.1 Ų80.141%0.40940%0.402SS..  trans-86.1144.4162.2-79.7-171.6176-161.60109Y265K234-Y265 HydrophobicContact CB-CD1 4.13Å; K234-Y265 HydrophobicContact CB-CG 4.05Å; K234-Y265 HydrophobicContact CD-CD1 4.01Å; K234-Y265 HydrophobicContact CD-CE1 4.3Å; K234-Y265 HydrophobicContact CD-CG 4.43Å; K234-Y265 WeakPolarHBondContact O-CB 3.28Å; K234-Y265 PolarHBondContact O-N 2.95Å
235Y39.2Very low39.1Very low56 Ų5681.5 Ų81.522%0.2241%0.414CS..EExtended strand (participates in β ladder)trans-125.2141.3173.3-66.4-88000109.9L229 A233 K263L229-Y235 HydrophobicContact CB-CD2 4.23Å; L229-Y235 HydrophobicContact CB-CE2 3.97Å; L229-Y235 HydrophobicContact CD1-CD2 3.95Å; L229-Y235 HydrophobicContact CD1-CE2 4Å; L229-Y235 HydrophobicContact CD1-CG 4.49Å; L229-Y235 HydrophobicContact CG-CD2 4.44Å; A233-Y235 HydrophobicContact CB-CD2 4.42Å; A233-Y235 HydrophobicContact CB-CE2 3.69Å; Y235-K263 VanDerWaalsContact CA-O 3.28Å; Y235-K263 WeakPolarHBondContact CA-O 3.48Å
236E42Very low39.5Very low39 Ų3983.7 Ų83.718%0.18243%0.433CS..EExtended strand (participates in β ladder)trans-86.6127.2160.6-172.4-168.4-179.700107.1I223 I238 C262 K263I223-E236 HydrophobicContact CG2-CG 3.97Å; E236-I238 HydrophobicContact CG-CG1 3.99Å; E236-I238 WeakPolarHBondContact OE1-CD1 3.46Å; E236-I238 WeakPolarHBondContact OE1-CG1 3.41Å; E236-C262 WeakPolarHBondContact O-CA 3.48Å; E236-K263 HydrophobicContact CB-CB 4.24Å; E236-K263 PolarHBondContact N-O 2.91Å; E236-K263 VanDerWaalsContact N-O 3.08Å; E236-K263 PolarHBondContact O-N 3.12Å; E236-K263 WeakPolarHBondContact OE2-CD 3.42Å; E236-K263 IonicContact OE2-NZ 3.54Å
237V40.9Very low40Very low18 Ų1884.7 Ų84.711%0.10944%0.435CS..EExtended strand (participates in β ladder)trans-113.9101.4174.2-167.30000108.5L224 F239 I260L224-V237 PolarHBondContact N-O 3.01Å; L224-V237 WeakPolarHBondContact O-CB 3.43Å; L224-V237 PolarHBondContact O-N 2.65Å; V237-F239 HydrophobicContact CB-CE2 4.07Å; V237-F239 HydrophobicContact CG1-CD2 4.1Å; V237-F239 HydrophobicContact CG1-CE2 3.43Å; V237-F239 VanDerWaalsContact CG1-CE2 3.43Å; V237-F239 HydrophobicContact CG1-CZ 3.79Å; V237-I260 HydrophobicContact CG1-CG2 3.5Å; V237-I260 VanDerWaalsContact CG1-CG2 3.5Å
238I46.8Very low40.5Very low16 Ų1688.3 Ų88.38%0.08245%0.454CS..EExtended strand (participates in β ladder)trans-88118.5177.9-52.9173.8000108K221 E236 E259 I260 V261K221-I238 HydrophobicContact CG-CG2 4.08Å; E236-I238 HydrophobicContact CG-CG1 3.99Å; E236-I238 WeakPolarHBondContact OE1-CD1 3.46Å; E236-I238 WeakPolarHBondContact OE1-CG1 3.41Å; I238-E259 VanDerWaalsContact O-O 3.13Å; I238-I260 WeakPolarHBondContact O-CA 3.46Å; I238-V261 HydrophobicContact CB-CB 4.35Å; I238-V261 PolarHBondContact N-O 2.93Å; I238-V261 PolarHBondContact O-N 3.23Å
239F43.2Very low40.9Very low36 Ų3684.1 Ų84.116%0.15845%0.451CS..EExtended strand (participates in β ladder)trans-96.4124.6167.5-66.4-95.1000108.9V222 L224 V237 V258 E259 I260 L327V222-F239 CarbonylContact C-O 3.57Å; V222-F239 HydrophobicContact CB-CB 4.39Å; V222-F239 PolarHBondContact N-O 2.96Å; V222-F239 WeakPolarHBondContact O-CA 3.45Å; V222-F239 WeakPolarHBondContact O-CB 3.34Å; V222-F239 PolarHBondContact O-N 2.83Å; V222-F239 VanDerWaalsContact O-O 3.04Å; L224-F239 HydrophobicContact CB-CD2 3.9Å; L224-F239 HydrophobicContact CB-CE2 3.84Å; L224-F239 HydrophobicContact CD2-CE2 3.84Å; L224-F239 HydrophobicContact CG-CE2 4.48Å; V237-F239 HydrophobicContact CB-CE2 4.07Å; V237-F239 HydrophobicContact CG1-CD2 4.1Å; V237-F239 HydrophobicContact CG1-CE2 3.43Å; V237-F239 VanDerWaalsContact CG1-CE2 3.43Å; V237-F239 HydrophobicContact CG1-CZ 3.79Å; F239-V258 HydrophobicContact CD1-CG1 3.85Å; F239-V258 HydrophobicContact CE1-CG1 4.37Å; F239-E259 WeakPolarHBondContact CA-O 3.4Å; F239-I260 HydrophobicContact CD1-CG1 4.13Å; F239-I260 HydrophobicContact CE1-CD1 3.9Å; F239-I260 HydrophobicContact CE1-CG1 3.89Å; F239-L327 HydrophobicContact CE1-CD2 4.4Å; F239-L327 HydrophobicContact CZ-CD2 4.49Å
240S44Very low41.5Very low25 Ų2583.9 Ų83.918%0.17546%0.458CS..EExtended strand (participates in β ladder)trans-107.8120.8167.7-57.10000109.4E259S240-E259 PolarHBondContact N-O 3.1Å; S240-E259 PolarHBondContact O-N 3.03Å
241L41.3Very low42.3Very low68 Ų6877.1 Ų77.136%0.35644%0.436SS..EExtended strand (participates in β ladder)trans-104.5115.1174.6-70.2165.6000108.6N220 V222 V256 V258N220-L241 HydrophobicContact CB-CB 4.48Å; N220-L241 PolarHBondContact N-O 3.38Å; N220-L241 VanDerWaalsContact N-O 3.16Å; N220-L241 PolarHBondContact O-N 3.47Å; V222-L241 HydrophobicContact CG2-CD1 4.19Å; L241-V256 HydrophobicContact CD2-CG1 3.51Å; L241-V258 HydrophobicContact CD2-CG2 3.97Å
242K46.3Very low43Very low125 Ų12569.9 Ų69.954%0.54341%0.406SS..EExtended strand (participates in β ladder)trans-99.7128.2170.2-71.2-164.8173.4-160.60109.8L219L219-K242 HydrophobicContact CG-CG 4.31Å
243F42.1Very low43.8Very low81 Ų8172.8 Ų72.836%0.35540%0.401SS..  trans-121.6138.2174.2-176.1-105.3000109.4P245 Y254F243-P245 HydrophobicContact CD1-CB 4.19Å; F243-P245 HydrophobicContact CE1-CB 3.81Å; F243-Y254 HydrophobicContact CD2-CD1 4.23Å; F243-Y254 AromaticContact CE2-CD1 3.4Å; F243-Y254 HydrophobicContact CE2-CD1 3.4Å; F243-Y254 HydrophobicContact CE2-CD2 4.15Å; F243-Y254 AromaticContact CE2-CE1 3.51Å; F243-Y254 HydrophobicContact CE2-CE1 3.51Å; F243-Y254 HydrophobicContact CE2-CE2 4.25Å; F243-Y254 AromaticContact CE2-CG 3.72Å; F243-Y254 HydrophobicContact CE2-CG 3.72Å; F243-Y254 AromaticContact CE2-CZ 3.95Å; F243-Y254 AromaticContact CZ-CD1 3.96Å; F243-Y254 HydrophobicContact CZ-CD1 3.96Å; F243-Y254 AromaticContact CZ-CE1 3.56Å; F243-Y254 HydrophobicContact CZ-CE1 3.56Å; F243-Y254 HydrophobicContact CZ-CE2 4.46Å; F243-Y254 AromaticContact CZ-CZ 3.84Å
244N50.7Low44.1Very low111 Ų11171.9 Ų71.959%0.59439%0.39SS*.  trans-112.8108.6173.3-173.99.5000108.9S246N244-S246 PolarHBondContact ND2-OG 3.35Å; N244-S246 PolarHBondContact O-N 2.91Å; N244-S246 VanDerWaalsContact O-N 3.12Å; N244-S246 PolarHBondContact OD1-OG 2.91Å
245P46.6Very low44Very low81 Ų8172.5 Ų72.553%0.52640%0.404SS..  trans-77.611.4-170.232-37.2000115.1F243 L247F243-P245 HydrophobicContact CD1-CB 4.19Å; F243-P245 HydrophobicContact CE1-CB 3.81Å; P245-L247 PolarHBondContact O-N 2.91Å; P245-L247 VanDerWaalsContact O-N 3.08Å
246S47.8Very low44.1Very low84 Ų8470.9 Ų70.959%0.58740%0.4SS*.  trans-79.720.5-167.964.50000116.2N244N244-S246 PolarHBondContact ND2-OG 3.35Å; N244-S246 PolarHBondContact O-N 2.91Å; N244-S246 VanDerWaalsContact O-N 3.12Å; N244-S246 PolarHBondContact OD1-OG 2.91Å
247L45.2Very low44.1Very low100 Ų10072.4 Ų72.452%0.52441%0.408SS..  trans-140.281.3-176.9-71.4171.9000110.8P245 V252 Y254P245-L247 PolarHBondContact O-N 2.91Å; P245-L247 VanDerWaalsContact O-N 3.08Å; L247-V252 HydrophobicContact CB-CG1 4.23Å; L247-V252 HydrophobicContact CB-CG2 4.31Å; L247-V252 HydrophobicContact CD1-CG1 4.01Å; L247-Y254 PolarHBondContact O-OH 3.36Å; L247-Y254 VanDerWaalsContact O-OH 3.14Å
248S41.6Very low44.2Very low115 Ų11572.3 Ų72.380%0.80441%0.408SS*.  trans-101.338.7-167.366.40000115.5
249T39.5Very low44Very low109 Ų10972.9 Ų72.967%0.66941%0.41SS*.SBendtrans-147.4128.6176.546.90000111.4V252T249-V252 WeakPolarHBondContact O-CG2 3.42Å
250S43.8Very low43.9Very low102 Ų10272.4 Ų72.471%0.71341%0.409SS*.SBendtrans48.9116.2166.558.70000118.8V252S250-V252 WeakPolarHBondContact O-CG2 3.36Å; S250-V252 PolarHBondContact O-N 2.93Å
251I46.3Very low44.2Very low84 Ų8472.4 Ų72.443%0.43141%0.408SS..SBendtrans2970.6163.8-47.3-178.2000113.7E290I251-E290 VanDerWaalsContact CG2-CD 3.48Å; I251-E290 HydrophobicContact CG2-CG 3.53Å
252V48.8Very low44.2Very low23 Ų2370.2 Ų70.214%0.13940%0.398CS..EExtended strand (participates in β ladder)trans-92.4127.4-178.3-179.70000109.6L247 T249 S250 Y254L247-V252 HydrophobicContact CB-CG1 4.23Å; L247-V252 HydrophobicContact CB-CG2 4.31Å; L247-V252 HydrophobicContact CD1-CG1 4.01Å; T249-V252 WeakPolarHBondContact O-CG2 3.42Å; S250-V252 WeakPolarHBondContact O-CG2 3.36Å; S250-V252 PolarHBondContact O-N 2.93Å; V252-Y254 HydrophobicContact CB-CD2 4.19Å; V252-Y254 HydrophobicContact CB-CE1 4.26Å; V252-Y254 HydrophobicContact CB-CE2 3.63Å; V252-Y254 HydrophobicContact CG1-CD1 4.05Å; V252-Y254 HydrophobicContact CG1-CD2 4.2Å; V252-Y254 HydrophobicContact CG1-CE1 3.82Å; V252-Y254 HydrophobicContact CG1-CE2 3.96Å; V252-Y254 HydrophobicContact CG1-CG 4.25Å; V252-Y254 WeakPolarHBondContact O-CD2 3.44Å; V252-Y254 WeakPolarHBondContact O-CE2 3.42Å; V252-Y254 PolarHBondContact O-N 3.16Å
253K46.8Very low44.4Very low124 Ų12467.7 Ų67.754%0.53939%0.387SS..EExtended strand (participates in β ladder)trans-78.1100.3167.1-74.4170.1177.41660109P255 E290K253-P255 WeakPolarHBondContact O-CD 3.03Å; K253-E290 WeakPolarHBondContact CE-OE1 3.33Å; K253-E290 HydrophobicContact CG-CB 4.34Å; K253-E290 HydrophobicContact CG-CG 4.48Å
254Y42Very low44.5Very low19 Ų1966 Ų668%0.07538%0.384CS..EExtended strand (participates in β ladder)trans-82.9125.7-178.8-68.2-82.5000111.4F243 L247 V252 V256 V289 L291F243-Y254 HydrophobicContact CD2-CD1 4.23Å; F243-Y254 AromaticContact CE2-CD1 3.4Å; F243-Y254 HydrophobicContact CE2-CD1 3.4Å; F243-Y254 HydrophobicContact CE2-CD2 4.15Å; F243-Y254 AromaticContact CE2-CE1 3.51Å; F243-Y254 HydrophobicContact CE2-CE1 3.51Å; F243-Y254 HydrophobicContact CE2-CE2 4.25Å; F243-Y254 AromaticContact CE2-CG 3.72Å; F243-Y254 HydrophobicContact CE2-CG 3.72Å; F243-Y254 AromaticContact CE2-CZ 3.95Å; F243-Y254 AromaticContact CZ-CD1 3.96Å; F243-Y254 HydrophobicContact CZ-CD1 3.96Å; F243-Y254 AromaticContact CZ-CE1 3.56Å; F243-Y254 HydrophobicContact CZ-CE1 3.56Å; F243-Y254 HydrophobicContact CZ-CE2 4.46Å; F243-Y254 AromaticContact CZ-CZ 3.84Å; L247-Y254 PolarHBondContact O-OH 3.36Å; L247-Y254 VanDerWaalsContact O-OH 3.14Å; V252-Y254 HydrophobicContact CB-CD2 4.19Å; V252-Y254 HydrophobicContact CB-CE1 4.26Å; V252-Y254 HydrophobicContact CB-CE2 3.63Å; V252-Y254 HydrophobicContact CG1-CD1 4.05Å; V252-Y254 HydrophobicContact CG1-CD2 4.2Å; V252-Y254 HydrophobicContact CG1-CE1 3.82Å; V252-Y254 HydrophobicContact CG1-CE2 3.96Å; V252-Y254 HydrophobicContact CG1-CG 4.25Å; V252-Y254 WeakPolarHBondContact O-CD2 3.44Å; V252-Y254 WeakPolarHBondContact O-CE2 3.42Å; V252-Y254 PolarHBondContact O-N 3.16Å; Y254-V256 PolarHBondContact O-N 3.08Å; Y254-V289 PolarHBondContact N-O 3.49Å; Y254-V289 PolarHBondContact O-N 3.11Å; Y254-L291 HydrophobicContact CD2-CB 4.37Å; Y254-L291 HydrophobicContact CD2-CD1 3.78Å; Y254-L291 HydrophobicContact CD2-CG 3.95Å; Y254-L291 HydrophobicContact CE2-CB 4.14Å; Y254-L291 HydrophobicContact CE2-CD1 3.71Å; Y254-L291 HydrophobicContact CE2-CG 4.09Å
255P39.9Very low44.2Very low107 Ų10766.6 Ų66.670%0.69538%0.379SS*.EExtended strand (participates in β ladder)trans-76.491.3169.731.1-32.9000109.7K253K253-P255 WeakPolarHBondContact O-CD 3.03Å
256V40.1Very low44.3Very low22 Ų2267.9 Ų67.913%0.13338%0.378CS..EExtended strand (participates in β ladder)trans-77.9119.4171.9-178.80000108.4L241 Y254 V258 P286 L287 V289L241-V256 HydrophobicContact CD2-CG1 3.51Å; Y254-V256 PolarHBondContact O-N 3.08Å; V256-V258 HydrophobicContact CG1-CG2 4.04Å; V256-P286 CarbonylContact O-C 3.57Å; V256-L287 HydrophobicContact CB-CB 4.2Å; V256-L287 PolarHBondContact N-O 2.79Å; V256-L287 WeakPolarHBondContact O-CB 3.38Å; V256-L287 PolarHBondContact O-N 2.85Å; V256-V289 HydrophobicContact CB-CG2 4.36Å; V256-V289 HydrophobicContact CG2-CB 4.1Å; V256-V289 HydrophobicContact CG2-CG2 3.72Å
257L42.2Very low44.1Very low70 Ų7072.6 Ų72.637%0.36638%0.383SS..EExtended strand (participates in β ladder)trans-90.1111.7169-171.4146000108.8E259 R284L257-E259 HydrophobicContact CD2-CB 4.29Å; L257-R284 HydrophobicContact CD2-CG 4.22Å
258V42.3Very low44Very low16 Ų1673.9 Ų73.910%0.09740%0.4CS..EExtended strand (participates in β ladder)trans-91.8112.1173.2176.80000108.5F239 L241 V256 I260 R284 S285 L287F239-V258 HydrophobicContact CD1-CG1 3.85Å; F239-V258 HydrophobicContact CE1-CG1 4.37Å; L241-V258 HydrophobicContact CD2-CG2 3.97Å; V256-V258 HydrophobicContact CG1-CG2 4.04Å; V258-I260 HydrophobicContact CG1-CD1 4.41Å; V258-I260 HydrophobicContact CG1-CG1 3.83Å; V258-R284 WeakPolarHBondContact O-CA 3.46Å; V258-S285 PolarHBondContact N-O 3.38Å; V258-S285 PolarHBondContact O-N 2.92Å; V258-S285 VanDerWaalsContact O-N 3.1Å; V258-L287 HydrophobicContact CG2-CD1 3.65Å
259E43.3Very low43.9Very low28 Ų2874.5 Ų74.513%0.13139%0.393CS..EExtended strand (participates in β ladder)trans-95.3122.6166.4-173.5170.4133.600109.5I238 F239 S240 L257 V261 K282 F283 R284I238-E259 VanDerWaalsContact O-O 3.13Å; F239-E259 WeakPolarHBondContact CA-O 3.4Å; S240-E259 PolarHBondContact N-O 3.1Å; S240-E259 PolarHBondContact O-N 3.03Å; L257-E259 HydrophobicContact CD2-CB 4.29Å; E259-V261 HydrophobicContact CG-CG2 4.18Å; E259-K282 HydrophobicContact CG-CG 4.26Å; E259-K282 WeakPolarHBondContact OE1-CE 3.46Å; E259-K282 IonicContact OE1-NZ 2.66Å; E259-K282 PolarHBondContact OE1-NZ 2.9Å; E259-K282 VanDerWaalsContact OE2-CE 3.24Å; E259-K282 WeakPolarHBondContact OE2-CE 3.41Å; E259-K282 IonicContact OE2-NZ 3.04Å; E259-K282 PolarHBondContact OE2-NZ 3.04Å; E259-F283 WeakPolarHBondContact CA-O 3.33Å; E259-R284 HydrophobicContact CB-CG 4.29Å; E259-R284 HydrophobicContact CG-CG 4.11Å; E259-R284 IonicContact OE2-CZ 3.15Å; E259-R284 IonicContact OE2-NE 2.74Å; E259-R284 PolarHBondContact OE2-NE 3.41Å; E259-R284 IonicContact OE2-NH2 2.71Å; E259-R284 PolarHBondContact OE2-NH2 3.32Å
260I42.1Very low43.6Very low27 Ų2775.1 Ų75.114%0.13840%0.399CS..EExtended strand (participates in β ladder)trans-108.6115175.9-51.3-177.2000107.8V237 I238 F239 V258 K282 F283 L327V237-I260 HydrophobicContact CG1-CG2 3.5Å; V237-I260 VanDerWaalsContact CG1-CG2 3.5Å; I238-I260 WeakPolarHBondContact O-CA 3.46Å; F239-I260 HydrophobicContact CD1-CG1 4.13Å; F239-I260 HydrophobicContact CE1-CD1 3.9Å; F239-I260 HydrophobicContact CE1-CG1 3.89Å; V258-I260 HydrophobicContact CG1-CD1 4.41Å; V258-I260 HydrophobicContact CG1-CG1 3.83Å; I260-K282 WeakPolarHBondContact O-CA 3.5Å; I260-F283 HydrophobicContact CB-CB 4.31Å; I260-F283 PolarHBondContact N-O 2.91Å; I260-F283 PolarHBondContact O-N 3.22Å; I260-L327 HydrophobicContact CD1-CD2 4.33Å
261V49Very low43.4Very low24 Ų2474.5 Ų74.515%0.14539%0.391CS..EExtended strand (participates in β ladder)trans-109.5116.8172.1-177.30000109.6I238 E259 K263 Y281 K282I238-V261 HydrophobicContact CB-CB 4.35Å; I238-V261 PolarHBondContact N-O 2.93Å; I238-V261 PolarHBondContact O-N 3.23Å; E259-V261 HydrophobicContact CG-CG2 4.18Å; V261-K263 HydrophobicContact CG1-CG 4.44Å; V261-Y281 WeakPolarHBondContact CA-O 3.45Å; V261-K282 HydrophobicContact CG2-CG 4.46Å
262C42.4Very low43.1Very low23 Ų2376.3 Ų76.316%0.15541%0.406CS..EExtended strand (participates in β ladder)trans-96.2122174.1-59.60000110E236 Y281E236-C262 WeakPolarHBondContact O-CA 3.48Å; C262-Y281 PolarHBondContact N-O 3.49Å; C262-Y281 PolarHBondContact O-N 3.46Å
263K49.3Very low42.5Very low72 Ų7283.2 Ų83.231%0.31344%0.441SS..EExtended strand (participates in β ladder)trans-111.2140.3170-52.9-166-175.6163.10111.4Y235 E236 V261 Y265 F280Y235-K263 VanDerWaalsContact CA-O 3.28Å; Y235-K263 WeakPolarHBondContact CA-O 3.48Å; E236-K263 HydrophobicContact CB-CB 4.24Å; E236-K263 PolarHBondContact N-O 2.91Å; E236-K263 VanDerWaalsContact N-O 3.08Å; E236-K263 PolarHBondContact O-N 3.12Å; E236-K263 WeakPolarHBondContact OE2-CD 3.42Å; E236-K263 IonicContact OE2-NZ 3.54Å; V261-K263 HydrophobicContact CG1-CG 4.44Å; K263-Y265 PolarHBondContact O-N 3.17Å; K263-F280 HydrophobicContact CB-CE1 4.37Å; K263-F280 HydrophobicContact CD-CD1 4.37Å; K263-F280 HydrophobicContact CD-CE1 3.89Å; K263-F280 HydrophobicContact CG-CD1 3.91Å; K263-F280 HydrophobicContact CG-CE1 3.86Å
264P45Very low42Very low45 Ų4581 Ų8129%0.29244%0.441SS..EExtended strand (participates in β ladder)trans-67.1129.8164.930.2-32.8000109.4E266 Q278P264-E266 PolarHBondContact O-N 3.39Å; P264-Q278 HydrophobicContact CG-CB 4.31Å; P264-Q278 HydrophobicContact CG-CG 4.26Å
265Y44.2Very low41.3Very low123 Ų12386.1 Ų86.148%0.48248%0.479SS..  trans-87.5101.6176.3-176.1-83000109.6K234 K263 R267K234-Y265 HydrophobicContact CB-CD1 4.13Å; K234-Y265 HydrophobicContact CB-CG 4.05Å; K234-Y265 HydrophobicContact CD-CD1 4.01Å; K234-Y265 HydrophobicContact CD-CE1 4.3Å; K234-Y265 HydrophobicContact CD-CG 4.43Å; K234-Y265 WeakPolarHBondContact O-CB 3.28Å; K234-Y265 PolarHBondContact O-N 2.95Å; K263-Y265 PolarHBondContact O-N 3.17Å; Y265-R267 HydrophobicContact CD1-CG 4.3Å; Y265-R267 HydrophobicContact CE1-CG 3.85Å; Y265-R267 PolarHBondContact O-N 3.23Å
266E49.2Very low41.5Very low109 Ų10984.1 Ų84.151%0.50947%0.472SS..  trans-69.1112.8166.1-80.3166.7-156.200109.3P264 Q278P264-E266 PolarHBondContact O-N 3.39Å; E266-Q278 PolarHBondContact OE1-NE2 3.44Å; E266-Q278 PolarHBondContact OE2-NE2 2.98Å
267R43.5Very low41.5Very low183 Ų18390 Ų9069%0.69150%0.495SS*.  trans-67.3145.8158.1-96.4-175.1160.2163.4-7.6108.1Y265 I269Y265-R267 HydrophobicContact CD1-CG 4.3Å; Y265-R267 HydrophobicContact CE1-CG 3.85Å; Y265-R267 PolarHBondContact O-N 3.23Å; R267-I269 PolarHBondContact O-N 2.79Å
268S42.4Very low41.9Very low126 Ų12690.6 Ų90.688%0.88150%0.496SS*.SBendtrans-65.469.517858.30000113.1
269I38.9Very low42.1Very low129 Ų12995 Ų9566%0.66251%0.514SS*.  trans-92.6132.3162.7-58.8174.8000105.6R267 V271R267-I269 PolarHBondContact O-N 2.79Å; I269-V271 PolarHBondContact O-N 2.96Å
270P35Very low42.4Very low122 Ų12299 Ų9979%0.79253%0.531SS*.  trans-68.296.6176.427.7-33.5000109.9V272P270-V272 PolarHBondContact O-N 3.07Å; P270-V272 VanDerWaalsContact O-N 3.09Å
271V39.2Very low42.5Very low88 Ų88102.1 Ų102.153%0.53354%0.542SS..  trans-71.2103.7177.9178.80000109I269 N273 S274I269-V271 PolarHBondContact O-N 2.96Å; V271-N273 PolarHBondContact O-N 3.12Å; V271-N273 VanDerWaalsContact O-N 3.07Å; V271-S274 VanDerWaalsContact CG1-OG 3.29Å; V271-S274 WeakPolarHBondContact CG1-OG 3.39Å
272V40.1Very low42.6Very low123 Ų123106.5 Ų106.575%0.74556%0.559SS**  trans-65.6108.1171.8179.10000108.9P270 S274P270-V272 PolarHBondContact O-N 3.07Å; P270-V272 VanDerWaalsContact O-N 3.09Å; V272-S274 VanDerWaalsContact C-N 3.31Å; V272-S274 PolarHBondContact O-N 3.47Å; V272-S274 PolarHBondContact O-OG 3.08Å
273N34.7Very low42.6Very low167 Ų167110.3 Ų110.389%0.89357%0.573SS**SBendtrans39.144.7161.2-65.5-5.9000117.1V271V271-N273 PolarHBondContact O-N 3.12Å; V271-N273 VanDerWaalsContact O-N 3.07Å
274S36.4Very low42.5Very low77 Ų77114.3 Ų114.354%0.53859%0.586SS.*  trans-127.4117.3171.938.20000110.7V271 V272 A276V271-S274 VanDerWaalsContact CG1-OG 3.29Å; V271-S274 WeakPolarHBondContact CG1-OG 3.39Å; V272-S274 VanDerWaalsContact C-N 3.31Å; V272-S274 PolarHBondContact O-N 3.47Å; V272-S274 PolarHBondContact O-OG 3.08Å; S274-A276 PolarHBondContact O-N 2.81Å
275C29Very low42.2Very low127 Ų127114.1 Ų114.186%0.85859%0.586SS**  trans-77.584.3-173.5-170.90000111.1K277C275-K277 PolarHBondContact O-N 3.06Å
276A42.4Very low42.1Very low66 Ų66113.2 Ų113.255%0.54560%0.595SS.*  trans-67.1109.2-18000000111.4S274 Q278S274-A276 PolarHBondContact O-N 2.81Å; A276-Q278 PolarHBondContact O-N 2.82Å
277K41.9Very low41.6Very low144 Ų144109.7 Ų109.763%0.62658%0.58SS**  trans-72.786177.1-69.6-179.5177.8176.60110.8C275 K279C275-K277 PolarHBondContact O-N 3.06Å; K277-K279 PolarHBondContact O-N 3.32Å; K277-K279 VanDerWaalsContact O-N 3.16Å
278Q50.1Low41.4Very low83 Ų83105 Ų10539%0.38858%0.575SS.*  trans-56117.5173.2-67.7-175.5600110.5P264 E266 A276 F280P264-Q278 HydrophobicContact CG-CB 4.31Å; P264-Q278 HydrophobicContact CG-CG 4.26Å; E266-Q278 PolarHBondContact OE1-NE2 3.44Å; E266-Q278 PolarHBondContact OE2-NE2 2.98Å; A276-Q278 PolarHBondContact O-N 2.82Å; Q278-F280 HydrophobicContact CB-CE2 4.33Å; Q278-F280 HydrophobicContact CB-CZ 4.12Å
279K47Very low41.3Very low108 Ų108100.9 Ų100.947%0.4754%0.544SS..  trans-95.2113.8174.8-74.6-163.6171.2-165.80110.5K277 Y281 I349K277-K279 PolarHBondContact O-N 3.32Å; K277-K279 VanDerWaalsContact O-N 3.16Å; K279-Y281 HydrophobicContact CB-CE2 4.18Å; K279-I349 HydrophobicContact CD-CD1 4.14Å; K279-I349 VanDerWaalsContact NZ-CD1 3.31Å
280F48Very low41.3Very low113 Ų11397 Ų9750%0.49652%0.523SS..  trans-81.9130.2170-57.1-72000109.9K263 Q278K263-F280 HydrophobicContact CB-CE1 4.37Å; K263-F280 HydrophobicContact CD-CD1 4.37Å; K263-F280 HydrophobicContact CD-CE1 3.89Å; K263-F280 HydrophobicContact CG-CD1 3.91Å; K263-F280 HydrophobicContact CG-CE1 3.86Å; Q278-F280 HydrophobicContact CB-CE2 4.33Å; Q278-F280 HydrophobicContact CB-CZ 4.12Å
281Y45.2Very low41.4Very low92 Ų9292.6 Ų92.636%0.36149%0.493SS..EExtended strand (participates in β ladder)trans-106.6128.6167.7-61.6-86.9000108.4V261 C262 K279V261-Y281 WeakPolarHBondContact CA-O 3.45Å; C262-Y281 PolarHBondContact N-O 3.49Å; C262-Y281 PolarHBondContact O-N 3.46Å; K279-Y281 HydrophobicContact CB-CE2 4.18Å
282K51.5Low41.3Very low117 Ų11791 Ų9151%0.50948%0.481SS..EExtended strand (participates in β ladder)trans-126.9108.7-176.6172.5167.2169.2140.40108.9E259 I260 V261E259-K282 HydrophobicContact CG-CG 4.26Å; E259-K282 WeakPolarHBondContact OE1-CE 3.46Å; E259-K282 IonicContact OE1-NZ 2.66Å; E259-K282 PolarHBondContact OE1-NZ 2.9Å; E259-K282 VanDerWaalsContact OE2-CE 3.24Å; E259-K282 WeakPolarHBondContact OE2-CE 3.41Å; E259-K282 IonicContact OE2-NZ 3.04Å; E259-K282 PolarHBondContact OE2-NZ 3.04Å; I260-K282 WeakPolarHBondContact O-CA 3.5Å; V261-K282 HydrophobicContact CG2-CG 4.46Å
283F42.1Very low41.4Very low102 Ų10291.9 Ų91.945%0.44747%0.473SS..EExtended strand (participates in β ladder)trans-103.9145.7175.5-54.2-86.7000109.4E259 I260E259-F283 WeakPolarHBondContact CA-O 3.33Å; I260-F283 HydrophobicContact CB-CB 4.31Å; I260-F283 PolarHBondContact N-O 2.91Å; I260-F283 PolarHBondContact O-N 3.22Å
284R46.1Very low41.7Very low156 Ų15688.3 Ų88.359%0.58946%0.457SS*.EExtended strand (participates in β ladder)trans-132.4125171.9-73-179.9167.9176.6-7.2108.3L257 V258 E259L257-R284 HydrophobicContact CD2-CG 4.22Å; V258-R284 WeakPolarHBondContact O-CA 3.46Å; E259-R284 HydrophobicContact CB-CG 4.29Å; E259-R284 HydrophobicContact CG-CG 4.11Å; E259-R284 IonicContact OE2-CZ 3.15Å; E259-R284 IonicContact OE2-NE 2.74Å; E259-R284 PolarHBondContact OE2-NE 3.41Å; E259-R284 IonicContact OE2-NH2 2.71Å; E259-R284 PolarHBondContact OE2-NH2 3.32Å
285S38.5Very low41.5Very low41 Ų4192.8 Ų92.829%0.28746%0.463SS..EExtended strand (participates in β ladder)trans-120.8136.8167.7-167.80000109.5V258V258-S285 PolarHBondContact N-O 3.38Å; V258-S285 PolarHBondContact O-N 2.92Å; V258-S285 VanDerWaalsContact O-N 3.1Å
286P42Very low41.7Very low105 Ų10591.6 Ų91.668%0.68245%0.454SS*.EExtended strand (participates in β ladder)trans-65.4151.2153.832.1-32.9000109.1V256V256-P286 CarbonylContact O-C 3.57Å
287L40.5Very low41.2Very low35 Ų3598.3 Ų98.318%0.18347%0.466CS..EExtended strand (participates in β ladder)trans-145.7122.9178.2-118.6168.5000107.3V256 V258 L326V256-L287 HydrophobicContact CB-CB 4.2Å; V256-L287 PolarHBondContact N-O 2.79Å; V256-L287 WeakPolarHBondContact O-CB 3.38Å; V256-L287 PolarHBondContact O-N 2.85Å; V258-L287 HydrophobicContact CG2-CD1 3.65Å; L287-L326 HydrophobicContact CD1-CD2 3.55Å; L287-L326 HydrophobicContact CD2-CD2 3.99Å; L287-L326 HydrophobicContact CG-CD2 3.6Å
288S38.9Very low40.8Very low84 Ų8497.9 Ų97.959%0.58747%0.471SS*.EExtended strand (participates in β ladder)trans-88115173.6-62.40000109
289V40.5Very low40Very low40 Ų4098 Ų9824%0.24247%0.473CS..EExtended strand (participates in β ladder)trans-111.1116.4173.1-177.80000108.4Y254 V256 L291Y254-V289 PolarHBondContact N-O 3.49Å; Y254-V289 PolarHBondContact O-N 3.11Å; V256-V289 HydrophobicContact CB-CG2 4.36Å; V256-V289 HydrophobicContact CG2-CB 4.1Å; V256-V289 HydrophobicContact CG2-CG2 3.72Å; V289-L291 HydrophobicContact CG1-CD2 3.87Å; V289-L291 HydrophobicContact CG1-CG 4.39Å
290E38.4Very low39.3Very low46 Ų4695.9 Ų95.922%0.21547%0.471CS..EExtended strand (participates in β ladder)trans-82.2131168.4-170.6161.3-89.700109I251 K253 M305I251-E290 VanDerWaalsContact CG2-CD 3.48Å; I251-E290 HydrophobicContact CG2-CG 3.53Å; K253-E290 WeakPolarHBondContact CE-OE1 3.33Å; K253-E290 HydrophobicContact CG-CB 4.34Å; K253-E290 HydrophobicContact CG-CG 4.48Å; E290-M305 HydrophobicContact CB-CE 3.84Å; E290-M305 HydrophobicContact CG-CE 4.18Å; E290-M305 WeakPolarHBondContact OE1-CE 3.44Å; E290-M305 WeakPolarHBondContact OE2-CE 3.44Å
291L37.6Very low38.4Very low30 Ų3096.4 Ų96.416%0.15748%0.475CS..EExtended strand (participates in β ladder)trans-112.8108.5173.7-62.4-179000108.3Y254 V289 Y293 Y302Y254-L291 HydrophobicContact CD2-CB 4.37Å; Y254-L291 HydrophobicContact CD2-CD1 3.78Å; Y254-L291 HydrophobicContact CD2-CG 3.95Å; Y254-L291 HydrophobicContact CE2-CB 4.14Å; Y254-L291 HydrophobicContact CE2-CD1 3.71Å; Y254-L291 HydrophobicContact CE2-CG 4.09Å; V289-L291 HydrophobicContact CG1-CD2 3.87Å; V289-L291 HydrophobicContact CG1-CG 4.39Å; L291-Y293 HydrophobicContact CB-CD2 4.3Å; L291-Y293 HydrophobicContact CB-CE2 3.56Å; L291-Y293 VanDerWaalsContact CD1-OH 3.32Å; L291-Y293 WeakPolarHBondContact CD1-OH 3.48Å; L291-Y293 VanDerWaalsContact O-CD2 3.26Å; L291-Y293 WeakPolarHBondContact O-CD2 3.39Å; L291-Y293 WeakPolarHBondContact O-CE2 3.47Å; L291-Y302 HydrophobicContact CD2-CD1 4.14Å; L291-Y302 HydrophobicContact CD2-CE1 3.61Å
292D36.9Very low37.8Very low54 Ų5497 Ų9729%0.28948%0.477SS..  trans-80133.4169.7-169.40.2000109.8T294D292-T294 VanDerWaalsContact CG-OG1 3.25Å; D292-T294 VanDerWaalsContact OD1-CB 3.31Å; D292-T294 WeakPolarHBondContact OD1-CB 3.05Å; D292-T294 VanDerWaalsContact OD1-CG2 3.23Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.08Å; D292-T294 PolarHBondContact OD1-N 3.48Å; D292-T294 PolarHBondContact OD1-OG1 3.38Å; D292-T294 PolarHBondContact OD2-OG1 3.03Å; D292-T294 VanDerWaalsContact OD2-OG1 3.05Å
293Y41.5Very low37Very low143 Ų14395.1 Ų95.156%0.56148%0.475SS*.  trans-123.29.8-179.9-65-81.1000111.9L291 Y295L291-Y293 HydrophobicContact CB-CD2 4.3Å; L291-Y293 HydrophobicContact CB-CE2 3.56Å; L291-Y293 VanDerWaalsContact CD1-OH 3.32Å; L291-Y293 WeakPolarHBondContact CD1-OH 3.48Å; L291-Y293 VanDerWaalsContact O-CD2 3.26Å; L291-Y293 WeakPolarHBondContact O-CD2 3.39Å; L291-Y293 WeakPolarHBondContact O-CE2 3.47Å; Y293-Y295 PolarHBondContact O-N 3.27Å
294T40.5Very low36.5Very low92 Ų9291.7 Ų91.756%0.56447%0.466SS*.  trans-71.9-12-175.456.50000114.6D292 P296D292-T294 VanDerWaalsContact CG-OG1 3.25Å; D292-T294 VanDerWaalsContact OD1-CB 3.31Å; D292-T294 WeakPolarHBondContact OD1-CB 3.05Å; D292-T294 VanDerWaalsContact OD1-CG2 3.23Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.08Å; D292-T294 PolarHBondContact OD1-N 3.48Å; D292-T294 PolarHBondContact OD1-OG1 3.38Å; D292-T294 PolarHBondContact OD2-OG1 3.03Å; D292-T294 VanDerWaalsContact OD2-OG1 3.05Å; T294-P296 WeakPolarHBondContact O-CD 3.49Å
295Y34.2Very low35.7Very low171 Ų17188.1 Ų88.167%0.67146%0.457SS*.  trans-88.4109.9177.3-92.2-92.7000112.8Y293 Y297Y293-Y295 PolarHBondContact O-N 3.27Å; Y295-Y297 PolarHBondContact O-N 3.17Å
296P31.1Very low35.5Very low101 Ų10192.9 Ų92.966%0.65648%0.475SS*.SBendtrans-74.5119.3168.731.6-33000109.5T294T294-P296 WeakPolarHBondContact O-CD 3.49Å
297Y33.4Very low35.1Very low207 Ų20791.1 Ų91.181%0.81246%0.459SS*.SBendtrans69.8136.1-179.8-44.9-82.8000114.9Y295Y295-Y297 PolarHBondContact O-N 3.17Å
298N32.6Very low34.8Very low135 Ų13594.6 Ų94.672%0.72249%0.487SS*.SBendtrans75.394.6179.1-48.9-42.8000117.4
299L33Very low34.4Very low85 Ų8599.5 Ų99.545%0.44550%0.498SS..  trans57.7131.1161.3-77.576000118.8F22 H301F22-L299 HydrophobicContact CD2-CD2 4.07Å; F22-L299 HydrophobicContact CD2-CG 4Å; F22-L299 HydrophobicContact CE2-CB 4.27Å; F22-L299 HydrophobicContact CE2-CD2 4.02Å; F22-L299 HydrophobicContact CE2-CG 4.05Å; L299-H301 PolarHBondContact O-N 3.46Å; L299-H301 VanDerWaalsContact O-N 3.13Å; L299-H301 PolarHBondContact O-ND1 2.94Å
300P32.4Very low34Very low65 Ų6598.9 Ų98.942%0.42249%0.494SS..  trans-57115.9162.7-21.631.6000111.7F22F22-P300 HydrophobicContact CE1-CB 4.29Å; F22-P300 HydrophobicContact CE1-CG 3.93Å; F22-P300 HydrophobicContact CE2-CG 4.38Å; F22-P300 HydrophobicContact CZ-CB 3.84Å; F22-P300 HydrophobicContact CZ-CG 3.79Å
301H30.4Very low33.6Very low124 Ų124106 Ų10657%0.57453%0.527SS*.  trans-85119170.2-80.779.3000109.6L299 V303L299-H301 PolarHBondContact O-N 3.46Å; L299-H301 VanDerWaalsContact O-N 3.13Å; L299-H301 PolarHBondContact O-ND1 2.94Å; H301-V303 PolarHBondContact O-N 2.67Å
302Y32Very low33.4Very low103 Ų103109.5 Ų109.540%0.40455%0.545SS..  trans-86.1104.1177-69.7-74.3000111.4F22 L26 L291 A304F22-Y302 HydrophobicContact CE1-CE2 4.05Å; F22-Y302 AromaticContact CZ-CE2 3.68Å; F22-Y302 HydrophobicContact CZ-CE2 3.68Å; L26-Y302 HydrophobicContact CD1-CE2 4.03Å; L26-Y302 HydrophobicContact CD2-CD2 4.28Å; L26-Y302 HydrophobicContact CD2-CE2 4Å; L291-Y302 HydrophobicContact CD2-CD1 4.14Å; L291-Y302 HydrophobicContact CD2-CE1 3.61Å; Y302-A304 PolarHBondContact O-N 2.91Å
303V33.7Very low33.1Very low78 Ų78112.7 Ų112.747%0.47357%0.569SS.*  trans-81.989.5162.3-174.30000108.2H301 M305 F320H301-V303 PolarHBondContact O-N 2.67Å; V303-M305 PolarHBondContact O-N 3.38Å; V303-F320 HydrophobicContact CG2-CE1 4.47Å
304A31.8Very low32.6Very low30 Ų30113.5 Ų113.525%0.24858%0.583CS.*PPolyproline II helixtrans-71.7116.7176.700000109.9Y302 Q306 L321Y302-A304 PolarHBondContact O-N 2.91Å; A304-Q306 PolarHBondContact O-N 3.5Å; A304-L321 WeakPolarHBondContact CB-O 3.36Å
305M30.4Very low32.1Very low81 Ų81120.3 Ų120.340%0.39960%0.599SS.*PPolyproline II helixtrans-67130.9-170.7-74.7-169.1166.500112.9E290 V303 N307E290-M305 HydrophobicContact CB-CE 3.84Å; E290-M305 HydrophobicContact CG-CE 4.18Å; E290-M305 WeakPolarHBondContact OE1-CE 3.44Å; E290-M305 WeakPolarHBondContact OE2-CE 3.44Å; V303-M305 PolarHBondContact O-N 3.38Å; M305-N307 PolarHBondContact O-N 2.85Å
306Q33.1Very low31.8Very low141 Ų141120.9 Ų120.966%0.65961%0.608SS**PPolyproline II helixtrans-60.7119.7169.7-164.8176.116.100109.5A304 S308 L321A304-Q306 PolarHBondContact O-N 3.5Å; Q306-S308 PolarHBondContact O-N 3.19Å; Q306-S308 VanDerWaalsContact O-N 3.13Å; Q306-L321 HydrophobicContact CG-CD1 4.14Å
307N33.5Very low31.5Very low68 Ų68120.1 Ų120.136%0.36461%0.61SS.*  trans-72.5107.4179.4-174.3-8.5000109.5M305 F309 V310M305-N307 PolarHBondContact O-N 2.85Å; N307-F309 PolarHBondContact O-N 3.4Å; N307-F309 PolarHBondContact OD1-N 3.37Å; N307-V310 HydrophobicContact CB-CG2 4.27Å; N307-V310 PolarHBondContact O-N 2.82Å
308S34.1Very low31.1Very low108 Ų108118 Ų11876%0.75561%0.612SS**THydrogen-bonded Turntrans-63.3-10.9-172.751.20000115Q306 V310Q306-S308 PolarHBondContact O-N 3.19Å; Q306-S308 VanDerWaalsContact O-N 3.13Å; S308-V310 VanDerWaalsContact C-N 3.27Å
309F30.8Very low30.8Very low188 Ų188117.8 Ų117.883%0.82562%0.616SS**THydrogen-bonded Turntrans-83.54.2171.5-67.3-84.1000114N307N307-F309 PolarHBondContact O-N 3.4Å; N307-F309 PolarHBondContact OD1-N 3.37Å
310V33.2Very low30.5Very low26 Ų26120 Ų12016%0.15862%0.622CS.*  trans-119.397.7-179.1-175.10000110.6N307 S308 L312 Y329N307-V310 HydrophobicContact CB-CG2 4.27Å; N307-V310 PolarHBondContact O-N 2.82Å; S308-V310 VanDerWaalsContact C-N 3.27Å; V310-L312 HydrophobicContact CG1-CD2 4.23Å; V310-L312 HydrophobicContact CG1-CG 4.34Å; V310-L312 PolarHBondContact O-N 3.35Å; V310-L312 VanDerWaalsContact O-N 3.12Å; V310-Y329 HydrophobicContact CG1-CE2 4.1Å; V310-Y329 WeakPolarHBondContact CG1-OH 3.13Å; V310-Y329 HydrophobicContact CG2-CE1 4.48Å; V310-Y329 HydrophobicContact CG2-CE2 3.76Å
311Q30Very low30.6Very low197 Ų197118.7 Ų118.792%0.92161%0.612SS**  trans-69.3103.4161.5-77.7-176.5-22.900109.1
312L33.1Very low30.9Very low102 Ų102117 Ų11753%0.53461%0.607SS.*  trans-72.3139.1164-68.3170.3000108.7V310 L321V310-L312 HydrophobicContact CG1-CD2 4.23Å; V310-L312 HydrophobicContact CG1-CG 4.34Å; V310-L312 PolarHBondContact O-N 3.35Å; V310-L312 VanDerWaalsContact O-N 3.12Å; L312-L321 HydrophobicContact CD1-CD1 4.16Å
313P30.7Very low31.2Very low121 Ų121116.5 Ų116.579%0.78661%0.614SS**  trans-67.1137.4176.128.2-34.1000110.7R315P313-R315 PolarHBondContact O-N 3.24Å
314D30.7Very low31.3Very low161 Ų161114.4 Ų114.486%0.86161%0.608SS**SBendtrans-60106.8-174.2-78.1-58.2000113.7
315R29.5Very low31.8Very low234 Ų234116 Ų11688%0.88361%0.613SS**  trans-165120.6145.1-106.6152.9-164.8-149.21.8112.7P313P313-R315 PolarHBondContact O-N 3.24Å
316Q28.5Very low32.3Very low184 Ų184114.6 Ų114.686%0.8661%0.607SS**  trans57.483.3156.2-63.8-177.9-1700117.3
317A24.4Very low32.9Very low85 Ų85111.8 Ų111.870%0.70260%0.596SS**  30.9138.9129.600000121.3
318N24.7Very low33.1Very low161 Ų161114.3 Ų114.386%0.86160%0.604SS**  trans7757.6157.4-54.1-13.5000118.1
319T27Very low33.4Very low132 Ų132114.6 Ų114.681%0.8159%0.589SS**  trans-136.3131.8156.7-24.60000111.4L321T319-L321 PolarHBondContact O-N 2.86Å
320F27.2Very low33.9Very low130 Ų130108.4 Ų108.457%0.5757%0.569SS**  trans-67.5127.3179.3-73.7-110.2000110.7V303 N322V303-F320 HydrophobicContact CG2-CE1 4.47Å; F320-N322 PolarHBondContact O-N 3.45Å; F320-N322 PolarHBondContact O-ND2 2.86Å
321L32.8Very low34.1Very low39 Ų39109.1 Ų109.120%0.20458%0.581CS.*  trans-8287-174.5-160.7143.4000109.8A304 Q306 L312 T319 D325A304-L321 WeakPolarHBondContact CB-O 3.36Å; Q306-L321 HydrophobicContact CG-CD1 4.14Å; L312-L321 HydrophobicContact CD1-CD1 4.16Å; T319-L321 PolarHBondContact O-N 2.86Å; L321-D325 VanDerWaalsContact C-OD2 3.26Å; L321-D325 WeakPolarHBondContact CA-OD2 3.28Å; L321-D325 HydrophobicContact CD2-CB 3.61Å; L321-D325 HydrophobicContact CG-CB 3.94Å
322N38.2Very low34.5Very low87 Ų87106.1 Ų106.147%0.46556%0.562SS.*  trans-73.3172.5-163.2-91.7-94.2000113.1F320 G324 D325F320-N322 PolarHBondContact O-N 3.45Å; F320-N322 PolarHBondContact O-ND2 2.86Å; N322-G324 PolarHBondContact O-N 3.39Å; N322-D325 PolarHBondContact N-OD2 3.46Å; N322-D325 WeakPolarHBondContact O-CB 3.27Å; N322-D325 PolarHBondContact O-N 2.97Å
323V37.8Very low34.5Very low93 Ų93105.2 Ų105.256%0.56457%0.569SS**Hα-helixtrans-53-23.9168.5-179.30000112.4D325 L326 L327V323-D325 VanDerWaalsContact C-N 3.33Å; V323-D325 PolarHBondContact O-N 3.34Å; V323-L326 PolarHBondContact O-N 3.38Å; V323-L327 PolarHBondContact O-N 2.99Å
324G36.7Very low35Very low34 Ų34104.8 Ų104.835%0.35156%0.559SS.*Hα-helixtrans-61.7-32.2171.600000114.7N322 L326 L327 F328N322-G324 PolarHBondContact O-N 3.39Å; G324-L326 VanDerWaalsContact C-N 3.34Å; G324-L326 PolarHBondContact O-N 3.29Å; G324-L327 WeakPolarHBondContact O-CB 3.49Å; G324-L327 PolarHBondContact O-N 3.19Å; G324-F328 WeakPolarHBondContact O-CB 3.24Å; G324-F328 PolarHBondContact O-N 2.89Å
325D41.7Very low35.1Very low64 Ų64101.7 Ų101.734%0.34255%0.55SS..Hα-helixtrans-72.9-28-178.6-65.2-70.8000112.3L321 N322 V323 F328 Y329L321-D325 VanDerWaalsContact C-OD2 3.26Å; L321-D325 WeakPolarHBondContact CA-OD2 3.28Å; L321-D325 HydrophobicContact CD2-CB 3.61Å; L321-D325 HydrophobicContact CG-CB 3.94Å; N322-D325 PolarHBondContact N-OD2 3.46Å; N322-D325 WeakPolarHBondContact O-CB 3.27Å; N322-D325 PolarHBondContact O-N 2.97Å; V323-D325 VanDerWaalsContact C-N 3.33Å; V323-D325 PolarHBondContact O-N 3.34Å; D325-F328 WeakPolarHBondContact O-CB 3.41Å; D325-Y329 PolarHBondContact O-N 3.38Å; D325-Y329 VanDerWaalsContact O-N 3.08Å
326L40.4Very low35.2Very low52 Ų5295.6 Ų95.627%0.27253%0.533SS..Hα-helixtrans-70.9-42.1168.6-166.181.3000111.5L287 V323 G324 F328 Y329 C330L287-L326 HydrophobicContact CD1-CD2 3.55Å; L287-L326 HydrophobicContact CD2-CD2 3.99Å; L287-L326 HydrophobicContact CG-CD2 3.6Å; V323-L326 PolarHBondContact O-N 3.38Å; G324-L326 VanDerWaalsContact C-N 3.34Å; G324-L326 PolarHBondContact O-N 3.29Å; L326-F328 VanDerWaalsContact C-N 3.26Å; L326-F328 PolarHBondContact O-N 3.32Å; L326-Y329 PolarHBondContact O-N 3.25Å; L326-C330 PolarHBondContact O-N 3.27Å; L326-C330 PolarHBondContact O-SG 3.09Å
327L45.2Very low35.4Very low82 Ų8296.2 Ų96.243%0.42953%0.533SS..Hα-helixtrans-61.4-37.1174.2-72.5168.1000111.5F239 I260 V323 G324 C330 G331F239-L327 HydrophobicContact CE1-CD2 4.4Å; F239-L327 HydrophobicContact CZ-CD2 4.49Å; I260-L327 HydrophobicContact CD1-CD2 4.33Å; V323-L327 PolarHBondContact O-N 2.99Å; G324-L327 WeakPolarHBondContact O-CB 3.49Å; G324-L327 PolarHBondContact O-N 3.19Å; L327-C330 PolarHBondContact O-N 2.73Å; L327-G331 PolarHBondContact O-N 2.82Å
328F38.2Very low35.5Very low120 Ų12096.1 Ų96.153%0.52654%0.54SS..Hα-helixtrans-62-42.6172.9-178.7-101.8000112.2G324 D325 L326 G331 R332G324-F328 WeakPolarHBondContact O-CB 3.24Å; G324-F328 PolarHBondContact O-N 2.89Å; D325-F328 WeakPolarHBondContact O-CB 3.41Å; L326-F328 VanDerWaalsContact C-N 3.26Å; L326-F328 PolarHBondContact O-N 3.32Å; F328-G331 PolarHBondContact O-N 3.05Å; F328-R332 PolarHBondContact O-N 2.96Å
329Y41.5Very low35.9Very low114 Ų11490.9 Ų90.945%0.44752%0.516SS..Hα-helixtrans-65.4-42.3173.5-102.1-90.8000113.2V310 D325 L326 G331 R332 A333V310-Y329 HydrophobicContact CG1-CE2 4.1Å; V310-Y329 WeakPolarHBondContact CG1-OH 3.13Å; V310-Y329 HydrophobicContact CG2-CE1 4.48Å; V310-Y329 HydrophobicContact CG2-CE2 3.76Å; D325-Y329 PolarHBondContact O-N 3.38Å; D325-Y329 VanDerWaalsContact O-N 3.08Å; L326-Y329 PolarHBondContact O-N 3.25Å; Y329-G331 VanDerWaalsContact C-N 3.3Å; Y329-G331 PolarHBondContact O-N 3.4Å; Y329-R332 PolarHBondContact O-N 3.39Å; Y329-A333 WeakPolarHBondContact O-CB 3.2Å; Y329-A333 PolarHBondContact O-N 2.86Å
330C40.4Very low36.2Very low59 Ų5989.9 Ų89.940%0.39951%0.505SS..Hα-helixtrans-59.8-39.9172.6-700000111.9L326 L327 I334L326-C330 PolarHBondContact O-N 3.27Å; L326-C330 PolarHBondContact O-SG 3.09Å; L327-C330 PolarHBondContact O-N 2.73Å; C330-I334 WeakPolarHBondContact O-CG1 3.44Å; C330-I334 PolarHBondContact O-N 3.38Å
331G36.9Very low36.5Very low41 Ų4187.2 Ų87.242%0.42350%0.497SS..Hα-helixtrans-65.2-41173.600000113.5L327 F328 Y329 I334L327-G331 PolarHBondContact O-N 2.82Å; F328-G331 PolarHBondContact O-N 3.05Å; Y329-G331 VanDerWaalsContact C-N 3.3Å; Y329-G331 PolarHBondContact O-N 3.4Å; G331-I334 PolarHBondContact O-N 2.88Å
332R38.6Very low36.4Very low134 Ų13489.5 Ų89.551%0.50651%0.509SS..Hα-helixtrans-70.4-35.2177-88.9-169.1153.7-158.1-6.9113.5F328 Y329 I334 S335 I336F328-R332 PolarHBondContact O-N 2.96Å; Y329-R332 PolarHBondContact O-N 3.39Å; R332-I334 PolarHBondContact O-N 2.95Å; R332-S335 PolarHBondContact O-N 2.9Å; R332-I336 HydrophobicContact CB-CD1 3.99Å; R332-I336 HydrophobicContact CG-CD1 3.73Å; R332-I336 PolarHBondContact O-N 3.37Å
333A34.2Very low36Very low83 Ų8389.2 Ų89.269%0.68651%0.511SS*.Hα-helixtrans-61-31.9175.600000112.8Y329 S335Y329-A333 WeakPolarHBondContact O-CB 3.2Å; Y329-A333 PolarHBondContact O-N 2.86Å; A333-S335 VanDerWaalsContact C-N 3.26Å; A333-S335 PolarHBondContact O-N 3.17Å
334I40Very low35.6Very low111 Ų11192.9 Ų92.957%0.56951%0.514SS*.THydrogen-bonded Turntrans-71.9-19.5174.8-67.1166.2000112.3C330 G331 R332C330-I334 WeakPolarHBondContact O-CG1 3.44Å; C330-I334 PolarHBondContact O-N 3.38Å; G331-I334 PolarHBondContact O-N 2.88Å; R332-I334 PolarHBondContact O-N 2.95Å
335S32.9Very low35.3Very low96 Ų9698.4 Ų98.467%0.67152%0.524SS*.THydrogen-bonded Turntrans-114.1-30.8-163.3-165.50000115.2R332 A333R332-S335 PolarHBondContact O-N 2.9Å; A333-S335 VanDerWaalsContact C-N 3.26Å; A333-S335 PolarHBondContact O-N 3.17Å
336I32.4Very low34.7Very low106 Ų10698.5 Ų98.554%0.54453%0.529SS..SBendtrans-96.9-14.1-161.4-68.1-178000115.8R332R332-I336 HydrophobicContact CB-CD1 3.99Å; R332-I336 HydrophobicContact CG-CD1 3.73Å; R332-I336 PolarHBondContact O-N 3.37Å
337K31.7Very low34.1Very low198 Ų198103.2 Ų103.286%0.86155%0.548SS*.SBendtrans-142.2109.9172.4-106.8179.1179.3177.60113.5
338G27.3Very low33.2Very low82 Ų82106.5 Ų106.585%0.84556%0.559SS**  trans67.445.3148.500000118
339S33.3Very low32.7Very low51 Ų51104.3 Ų104.336%0.35755%0.552SS.*  trans-117.143.9168.7-137.60000114.7D341 L342 V343S339-D341 PolarHBondContact O-N 2.74Å; S339-D341 VanDerWaalsContact O-N 3.11Å; S339-L342 PolarHBondContact O-N 3.03Å; S339-L342 WeakPolarHBondContact OG-CB 3.4Å; S339-L342 PolarHBondContact OG-N 2.78Å; S339-V343 PolarHBondContact O-N 3.43Å
340L33.5Very low32Very low111 Ų111103.4 Ų103.458%0.58156%0.562SS**Hα-helixtrans-51.6-26.3156.5-158.380.8000110.9R344L340-R344 VanDerWaalsContact O-CB 3.24Å; L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 VanDerWaalsContact O-CG 3.31Å; L340-R344 WeakPolarHBondContact O-CG 3.24Å; L340-R344 PolarHBondContact O-N 2.89Å
341D32.4Very low31.4Very low75 Ų75109.3 Ų109.340%0.40158%0.581SS.*Hα-helixtrans-75-28.5176.7-157.59.1000113.8S339 R345S339-D341 PolarHBondContact O-N 2.74Å; S339-D341 VanDerWaalsContact O-N 3.11Å; D341-R345 WeakPolarHBondContact O-CA 3.1Å; D341-R345 WeakPolarHBondContact O-CB 3.42Å; D341-R345 WeakPolarHBondContact O-CD 3.33Å; D341-R345 WeakPolarHBondContact O-CG 3.45Å; D341-R345 PolarHBondContact O-N 3.44Å; D341-R345 WeakPolarHBondContact OD1-CD 3.29Å; D341-R345 WeakPolarHBondContact OD1-CG 3.37Å; D341-R345 IonicContact OD1-CZ 3.74Å; D341-R345 IonicContact OD1-NE 2.83Å; D341-R345 PolarHBondContact OD1-NE 3.09Å; D341-R345 IonicContact OD1-NH2 3.81Å; D341-R345 IonicContact OD2-CZ 3.15Å; D341-R345 IonicContact OD2-NE 3.01Å; D341-R345 PolarHBondContact OD2-NE 3.21Å; D341-R345 IonicContact OD2-NH2 2.65Å; D341-R345 PolarHBondContact OD2-NH2 3.31Å
342L31.4Very low30.9Very low86 Ų86113.3 Ų113.345%0.4559%0.592SS.*Hα-helixtrans-66.9-45.9167.9-122.377.6000110.6S339 R345 C346S339-L342 PolarHBondContact O-N 3.03Å; S339-L342 WeakPolarHBondContact OG-CB 3.4Å; S339-L342 PolarHBondContact OG-N 2.78Å; L342-R345 PolarHBondContact O-N 3.44Å; L342-C346 WeakPolarHBondContact O-CB 3.19Å; L342-C346 PolarHBondContact O-N 3.06Å; L342-C346 PolarHBondContact O-SG 2.87Å; L342-C346 VanDerWaalsContact O-SG 3.35Å
343V30.4Very low30.3Very low82 Ų82112.6 Ų112.650%0.49761%0.605SS.*Hα-helixtrans-62.5-49.4178.6-177.50000110.3S339 C346 F347S339-V343 PolarHBondContact O-N 3.43Å; V343-C346 PolarHBondContact O-N 3.14Å; V343-F347 HydrophobicContact CG1-CD2 4.29Å; V343-F347 PolarHBondContact O-N 3.37Å
344R28.8Very low29.9Very low169 Ų169116 Ų11664%0.63861%0.606SS**Hα-helixtrans-65-39176.2-76.8179.2170.4-173.7-2.7112.6L340 F347 K348L340-R344 VanDerWaalsContact O-CB 3.24Å; L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 VanDerWaalsContact O-CG 3.31Å; L340-R344 WeakPolarHBondContact O-CG 3.24Å; L340-R344 PolarHBondContact O-N 2.89Å; R344-F347 CarbonylContact O-C 3.6Å; R344-F347 PolarHBondContact O-N 2.81Å; R344-K348 WeakPolarHBondContact O-CB 3.36Å; R344-K348 PolarHBondContact O-N 3.41Å
345R30.7Very low29.1Very low150 Ų150120.6 Ų120.657%0.56662%0.617SS**Hα-helixtrans-64.8-43.6174.9-74.5167.5-168-150.35.5110.9D341 L342 F347 K348 I349D341-R345 WeakPolarHBondContact O-CA 3.1Å; D341-R345 WeakPolarHBondContact O-CB 3.42Å; D341-R345 WeakPolarHBondContact O-CD 3.33Å; D341-R345 WeakPolarHBondContact O-CG 3.45Å; D341-R345 PolarHBondContact O-N 3.44Å; D341-R345 WeakPolarHBondContact OD1-CD 3.29Å; D341-R345 WeakPolarHBondContact OD1-CG 3.37Å; D341-R345 IonicContact OD1-CZ 3.74Å; D341-R345 IonicContact OD1-NE 2.83Å; D341-R345 PolarHBondContact OD1-NE 3.09Å; D341-R345 IonicContact OD1-NH2 3.81Å; D341-R345 IonicContact OD2-CZ 3.15Å; D341-R345 IonicContact OD2-NE 3.01Å; D341-R345 PolarHBondContact OD2-NE 3.21Å; D341-R345 IonicContact OD2-NH2 2.65Å; D341-R345 PolarHBondContact OD2-NH2 3.31Å; L342-R345 PolarHBondContact O-N 3.44Å; R345-F347 PolarHBondContact O-N 3.27Å; R345-K348 PolarHBondContact O-N 3.09Å; R345-I349 WeakPolarHBondContact O-CB 3.31Å; R345-I349 WeakPolarHBondContact O-CD1 3.23Å; R345-I349 WeakPolarHBondContact O-CG1 3.44Å; R345-I349 PolarHBondContact O-N 3.15Å
346C29.4Very low28.9Very low66 Ų66121.8 Ų121.845%0.44661%0.614SS.*Hα-helixtrans-59-46.6173.3-72.40000112L342 V343 K348 I349 S350L342-C346 WeakPolarHBondContact O-CB 3.19Å; L342-C346 PolarHBondContact O-N 3.06Å; L342-C346 PolarHBondContact O-SG 2.87Å; L342-C346 VanDerWaalsContact O-SG 3.35Å; V343-C346 PolarHBondContact O-N 3.14Å; C346-K348 VanDerWaalsContact C-N 3.3Å; C346-K348 PolarHBondContact O-N 2.97Å; C346-I349 PolarHBondContact O-N 3.46Å; C346-S350 PolarHBondContact O-N 3.18Å; C346-S350 PolarHBondContact O-OG 3.41Å
347F26.3Very low28.4Very low152 Ų152127.9 Ų127.967%0.66763%0.631SS**Hα-helixtrans-68.4-19.9175.1-97.8-90.7000115.2V343 R344 R345 S350V343-F347 HydrophobicContact CG1-CD2 4.29Å; V343-F347 PolarHBondContact O-N 3.37Å; R344-F347 CarbonylContact O-C 3.6Å; R344-F347 PolarHBondContact O-N 2.81Å; R345-F347 PolarHBondContact O-N 3.27Å; F347-S350 PolarHBondContact O-OG 3.36Å
348K26.8Very low28Very low150 Ų150127.7 Ų127.765%0.65263%0.63SS**Hα-helixtrans-93.9-25.8178.4-163.6167.4-174.7174.70112.1R344 R345 C346 K351 L352R344-K348 WeakPolarHBondContact O-CB 3.36Å; R344-K348 PolarHBondContact O-N 3.41Å; R345-K348 PolarHBondContact O-N 3.09Å; C346-K348 VanDerWaalsContact C-N 3.3Å; C346-K348 PolarHBondContact O-N 2.97Å; K348-K351 PolarHBondContact O-N 3.25Å; K348-L352 WeakPolarHBondContact O-CG 3.36Å
349I28.7Very low27.9Very low74 Ų74130.7 Ų130.738%0.37963%0.631SS.*Hα-helixtrans-66.7-39170.3-69.6155.8000110.7K279 R345 C346 K351K279-I349 HydrophobicContact CD-CD1 4.14Å; K279-I349 VanDerWaalsContact NZ-CD1 3.31Å; R345-I349 WeakPolarHBondContact O-CB 3.31Å; R345-I349 WeakPolarHBondContact O-CD1 3.23Å; R345-I349 WeakPolarHBondContact O-CG1 3.44Å; R345-I349 PolarHBondContact O-N 3.15Å; C346-I349 PolarHBondContact O-N 3.46Å; I349-K351 PolarHBondContact O-N 3.25Å
350S26.6Very low27.3Very low95 Ų95132.4 Ų132.466%0.66464%0.642SS**THydrogen-bonded Turntrans-75.63.8175.953.90000114.6C346 F347C346-S350 PolarHBondContact O-N 3.18Å; C346-S350 PolarHBondContact O-OG 3.41Å; F347-S350 PolarHBondContact O-OG 3.36Å
351K27Very low26.9Very low183 Ų183135.2 Ų135.280%0.79666%0.657SS**THydrogen-bonded Turntrans-13517.6-174.6-140-179.9-173.5-176.20114.4K348 I349K348-K351 PolarHBondContact O-N 3.25Å; I349-K351 PolarHBondContact O-N 3.25Å
352L27.3Very low26.5Very low126 Ų126139 Ų13966%0.6668%0.676SS**  trans-95.7131.3176.7-86.1165.2000111.4K348K348-L352 WeakPolarHBondContact O-CG 3.36Å
353P25.2Very low26.2Very low119 Ų119137.9 Ų137.977%0.77369%0.686SS**  trans-75.9-177.3178.933-36.1000112.9
354E26Very low25.8Very low153 Ų153141.4 Ų141.472%0.71570%0.699SS**SBendtrans-57.7163.2-167.4-47178.8160.900116.4
355R23.6Very low25.8Very low208 Ų208142.6 Ų142.679%0.78571%0.705SS**  trans74.182.4160.8-51.8168-162.6-152.50.8118.1
356I27.3Very low25.5Very low121 Ų121139.7 Ų139.762%0.62171%0.713SS**  trans-141.3123.4144.4-52179.4000109.1F358I356-F358 HydrophobicContact CG2-CD2 4.05Å; I356-F358 HydrophobicContact CG2-CE2 3.54Å; I356-F358 HydrophobicContact CG2-CZ 4.23Å
357W22.8Very low25.3Very low235 Ų235144.4 Ų144.489%0.8973%0.734SS**  trans-95.3148.8176.8-71.867.3000111.6
358F24.2Very low25.2Very low194 Ų194145.6 Ų145.685%0.85174%0.741SS**  trans-150.3159.4164.7-78.1-65.9000111.1I356I356-F358 HydrophobicContact CG2-CD2 4.05Å; I356-F358 HydrophobicContact CG2-CE2 3.54Å; I356-F358 HydrophobicContact CG2-CZ 4.23Å
359V23.6Very low25.1Very low144 Ų144144.6 Ų144.687%0.87374%0.743SS**  trans-104.5154.1-159.3174.70000114.1
360C22.2Very low24.9Very low87 Ų87148 Ų14859%0.58876%0.761SS**  trans-38.7145.1179.6-159.60000118.8
361I25Very low24.8Very low171 Ų171150.7 Ų150.788%0.87777%0.767SS**  -132.4134.4128.6-59.5-176.6000107.1
362N23.7Very low24.7Very low153 Ų153146.1 Ų146.182%0.81876%0.763SS**  trans-106.5149.1-176.1-121.6-25.4000111.5
363G24.8Very low24.7Very low63 Ų63146.7 Ų146.765%0.64977%0.767SS**  trans172.497174.500000116.5
364M22.8Very low24.7Very low156 Ų156151.7 Ų151.777%0.76877%0.77SS**  trans39.8129.7137-65.9152.274.300119.7
365Y27Very low24.7Very low194 Ų194149.1 Ų149.176%0.76177%0.765SS**  cis-142140.9-4.4-81.5-77.7000105.9
366A25.4Very low24.9Very low89 Ų89146.3 Ų146.374%0.73677%0.766SS**  56.78871.200000114.5
367N24Very low25.1Very low165 Ų165146.3 Ų146.388%0.88277%0.772SS**  trans-90.4117.2150.8-77.2-42.3000107.4
368E26.1Very low25.4Very low177 Ų177140.7 Ų140.783%0.82777%0.767SS**  trans175.1155.6132.9-101.8-173.817300113.1
369L24.4Very low25.7Very low130 Ų130136.6 Ų136.668%0.68176%0.76SS**  trans44.5110.6158.6-83.375.1000121.4
370L23.4Very low26Very low145 Ų145136.7 Ų136.776%0.75976%0.755SS**  57.5133.2117.8-65.9172.1000122.3
371L25.2Very low26.6Very low152 Ų152140.7 Ų140.780%0.79677%0.769SS**  trans66.1100.7154.3-88.275.6000119.7
372A25.4Very low26.9Very low87 Ų87141.6 Ų141.672%0.71977%0.767SS**  59.9130.6115.100000122.3
373N26.2Very low27.4Very low138 Ų138140.2 Ų140.274%0.73877%0.766SS**  trans72.8104.1150-75.95.4000121.5
374W26.5Very low28.1Very low223 Ų223150.7 Ų150.785%0.84579%0.794SS**  82111.6118.6-82.225.5000121.2
375T25.9Very low28.3Very low99 Ų99150.4 Ų150.461%0.60780%0.796SS**  trans65.2112.9131.762.30000121
376N27Very low28.4Very low149 Ų149148.1 Ų148.180%0.79780%0.797SS**  trans66.8152.1143-48.7-21.3000116.6
377T32.2Very low28.6Very low122 Ų122151.4 Ų151.475%0.74880%0.801SS**  cis-154.8121.323-39.90000112.8
378C28.6Very low28.8Very low117 Ų117150.6 Ų150.679%0.79180%0.796SS**  trans52.9-160.7151.1-51.40000117.8
379P30.6Very low29Very low108 Ų108148.9 Ų148.970%0.70179%0.794SS**  -133.7-169.8-109.241-20.7000116.1
380N30.1Very low29.3Very low145 Ų145150.2 Ų150.278%0.77580%0.802SS**  trans91.1115.9176.8-55.3-77.6000116.4
381I35.1Very low29.7Very low171 Ų171150.6 Ų150.688%0.87781%0.805SS**  -159.6143117.7-95.5151.6000106.9
382K31.3Very low30.1Very low190 Ų190150.5 Ų150.583%0.82681%0.805SS**  trans-87.1151.5-178.9-72.1-178.8177.4179.30111.3
383P33.5Very low30.5Very low124 Ų124155.8 Ų155.881%0.80581%0.813SS**  trans-74.6159.617532.7-36.1000112.6
384F38.5Very low30.8Very low283 Ų283157.4 Ų157.4100%1.24182%0.819SS**  trans-96.80154.4-84.4-85.2000109.2

Retrieved 384 of 384 residues in 380.9 ms (Link to these results)