A0A060VRK8_ONCMY Loading...

Hydroxysteroid dehydrogenase like 1

AlphaFold DB , UniProt , Accession A0A060VRK8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.4Low68.7Low220 Ų220115.5 Ų115.5100%1.08463%0.629SS**  0-21.70-127.7170.3-86.600113.3A3M1-A3 PolarHBondContact O-N 2.99Å
2A57.2Low69.9Low83 Ų83114.8 Ų114.869%0.68662%0.615SS**Hα-helixtrans-73.9-14.8-176.700000117.7
3A55.8Low70.6Confident79 Ų79115 Ų11565%0.65361%0.61SS**Hα-helixtrans-82.5-17.5-177.100000114.1M1 S6M1-A3 PolarHBondContact O-N 2.99Å; A3-S6 PolarHBondContact O-OG 3.39Å
4V57.1Low71.2Confident106 Ų106113.3 Ų113.364%0.64260%0.6SS**Hα-helixtrans-80.4-38179-1790000110.3S6 F7 E8V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.38Å; V4-F7 PolarHBondContact O-N 3.14Å; V4-E8 PolarHBondContact O-N 3.37Å
5D62.9Low71.5Confident99 Ų99108.5 Ų108.553%0.52958%0.583SS.*Hα-helixtrans-64.2-32.9177.7-65.9-29.7000112.7L9D5-L9 WeakPolarHBondContact O-CD1 3.31Å; D5-L9 WeakPolarHBondContact O-CG 3.14Å; D5-L9 PolarHBondContact O-N 3.01Å
6S71.3Confident71.8Confident71 Ų71113 Ų11350%0.49759%0.589SS.*Hα-helixtrans-69.9-32.3177.861.90000113.2A3 V4 L10A3-S6 PolarHBondContact O-OG 3.39Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.38Å; S6-L10 WeakPolarHBondContact O-CB 3.49Å; S6-L10 PolarHBondContact O-N 3.07Å; S6-L10 VanDerWaalsContact O-N 3.09Å
7F77.7Confident72Confident143 Ų143110.6 Ų110.663%0.62758%0.584SS**Hα-helixtrans-73.9-41.2178.9180-98000111.6V4 L9 L10 Y11V4-F7 PolarHBondContact O-N 3.14Å; F7-L9 VanDerWaalsContact C-N 3.33Å; F7-L9 PolarHBondContact O-N 3.08Å; F7-L10 PolarHBondContact O-N 2.88Å; F7-Y11 WeakPolarHBondContact O-CB 3.17Å; F7-Y11 PolarHBondContact O-N 3.06Å
8E80.3Confident72.3Confident101 Ų101108.3 Ų108.347%0.47258%0.577SS.*Hα-helixtrans-66.2-37.3178.7-156.8-169.8146.400112V4 K12V4-E8 PolarHBondContact O-N 3.37Å; E8-K12 WeakPolarHBondContact O-CB 3.39Å; E8-K12 WeakPolarHBondContact O-CG 3.34Å; E8-K12 PolarHBondContact O-N 3.15Å; E8-K12 WeakPolarHBondContact OE1-CE 3.38Å; E8-K12 IonicContact OE1-NZ 3.53Å; E8-K12 PolarHBondContact OE1-NZ 3.46Å
9L81.1Confident72.9Confident113 Ų113107.1 Ų107.159%0.59257%0.571SS**Hα-helixtrans-64.7-48172.4-75.8165.1000111.7D5 F7 Y11 K12 E13D5-L9 WeakPolarHBondContact O-CD1 3.31Å; D5-L9 WeakPolarHBondContact O-CG 3.14Å; D5-L9 PolarHBondContact O-N 3.01Å; F7-L9 VanDerWaalsContact C-N 3.33Å; F7-L9 PolarHBondContact O-N 3.08Å; L9-Y11 VanDerWaalsContact C-N 3.33Å; L9-Y11 PolarHBondContact O-N 3.45Å; L9-K12 PolarHBondContact O-N 3.35Å; L9-E13 PolarHBondContact O-N 2.64Å
10L79.4Confident73.3Confident102 Ų102105 Ų10553%0.53457%0.566SS.*Hα-helixtrans-59.7-43.2177-170.177.9000111.6S6 F7 E13 I14S6-L10 WeakPolarHBondContact O-CB 3.49Å; S6-L10 PolarHBondContact O-N 3.07Å; S6-L10 VanDerWaalsContact O-N 3.09Å; F7-L10 PolarHBondContact O-N 2.88Å; L10-E13 PolarHBondContact O-N 3.41Å; L10-I14 HydrophobicContact CD2-CD1 4.32Å; L10-I14 HydrophobicContact CG-CD1 3.93Å; L10-I14 WeakPolarHBondContact O-CB 3.28Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.34Å
11Y80Confident73.8Confident153 Ų153103.7 Ų103.760%0.656%0.563SS**Hα-helixtrans-63.4-43177.3-179.3-98.1000112F7 L9 E13 I14 A15F7-Y11 WeakPolarHBondContact O-CB 3.17Å; F7-Y11 PolarHBondContact O-N 3.06Å; L9-Y11 VanDerWaalsContact C-N 3.33Å; L9-Y11 PolarHBondContact O-N 3.45Å; Y11-E13 VanDerWaalsContact C-N 3.33Å; Y11-E13 PolarHBondContact O-N 3.2Å; Y11-I14 PolarHBondContact O-N 3.02Å; Y11-A15 WeakPolarHBondContact O-CB 3.45Å; Y11-A15 PolarHBondContact O-N 3.06Å
12K82.1Confident75.5Confident108 Ų10897.4 Ų97.447%0.4754%0.537SS..Hα-helixtrans-63.2-38.6175.3-77.6173.1-174161.30112E8 L9 R16E8-K12 WeakPolarHBondContact O-CB 3.39Å; E8-K12 WeakPolarHBondContact O-CG 3.34Å; E8-K12 PolarHBondContact O-N 3.15Å; E8-K12 WeakPolarHBondContact OE1-CE 3.38Å; E8-K12 IonicContact OE1-NZ 3.53Å; E8-K12 PolarHBondContact OE1-NZ 3.46Å; L9-K12 PolarHBondContact O-N 3.35Å; K12-R16 VanDerWaalsContact O-CB 3.22Å; K12-R16 WeakPolarHBondContact O-CB 3.4Å; K12-R16 PolarHBondContact O-N 3.45Å
13E79.1Confident77.1Confident117 Ų11798.6 Ų98.655%0.54753%0.529SS..Hα-helixtrans-68.2-43.6177.7-156.6108.8-136.900111.9L9 L10 Y11 R16 S17L9-E13 PolarHBondContact O-N 2.64Å; L10-E13 PolarHBondContact O-N 3.41Å; Y11-E13 VanDerWaalsContact C-N 3.33Å; Y11-E13 PolarHBondContact O-N 3.2Å; E13-R16 PolarHBondContact O-N 3.38Å; E13-S17 WeakPolarHBondContact O-CB 3.32Å; E13-S17 PolarHBondContact O-N 3.05Å; E13-S17 PolarHBondContact O-OG 2.94Å
14I79.1Confident78.9Confident91 Ų9198.6 Ų98.647%0.46752%0.521SS..Hα-helixtrans-63.6-47.3173.9-68.3167.7000110.2L10 Y11 R16 S17 C18L10-I14 HydrophobicContact CD2-CD1 4.32Å; L10-I14 HydrophobicContact CG-CD1 3.93Å; L10-I14 WeakPolarHBondContact O-CB 3.28Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.34Å; Y11-I14 PolarHBondContact O-N 3.02Å; I14-R16 VanDerWaalsContact C-N 3.33Å; I14-R16 PolarHBondContact O-N 2.88Å; I14-S17 PolarHBondContact O-N 3.47Å; I14-C18 WeakPolarHBondContact O-CB 3.49Å; I14-C18 PolarHBondContact O-N 3.32Å; I14-C18 PolarHBondContact O-SG 3.32Å
15A75.8Confident80.6Confident42 Ų4299.5 Ų99.535%0.34752%0.521SS..Hα-helixtrans-62-40.1178.900000112.1Y11 C18 N19Y11-A15 WeakPolarHBondContact O-CB 3.45Å; Y11-A15 PolarHBondContact O-N 3.06Å; A15-C18 PolarHBondContact O-N 2.94Å; A15-N19 WeakPolarHBondContact O-CB 3.49Å; A15-N19 PolarHBondContact O-N 3.44Å
16R76.6Confident82.1Confident180 Ų18097.6 Ų97.668%0.67952%0.52SS*.Hα-helixtrans-65.7-41.7175.4-166.9-178-69.4157.2-4.1111.6K12 E13 I14 N19 S20K12-R16 VanDerWaalsContact O-CB 3.22Å; K12-R16 WeakPolarHBondContact O-CB 3.4Å; K12-R16 PolarHBondContact O-N 3.45Å; E13-R16 PolarHBondContact O-N 3.38Å; I14-R16 VanDerWaalsContact C-N 3.33Å; I14-R16 PolarHBondContact O-N 2.88Å; R16-N19 PolarHBondContact O-N 3.16Å; R16-S20 PolarHBondContact O-N 2.89Å
17S75.8Confident83.3Confident72 Ų7298.4 Ų98.450%0.50352%0.521SS..Hα-helixtrans-64.5-41.2174.2-57.50000111.8E13 I14 S20 C21E13-S17 WeakPolarHBondContact O-CB 3.32Å; E13-S17 PolarHBondContact O-N 3.05Å; E13-S17 PolarHBondContact O-OG 2.94Å; I14-S17 PolarHBondContact O-N 3.47Å; S17-S20 PolarHBondContact O-N 3.48Å; S17-C21 PolarHBondContact O-N 3.28Å; S17-C21 VanDerWaalsContact O-N 3.15Å; S17-C21 PolarHBondContact O-SG 3.49Å
18C76.5Confident84.1Confident69 Ų6995.8 Ų95.847%0.46652%0.517SS..Hα-helixtrans-64.2-38.4174-74.40000112.2I14 A15 S20 C21 V22I14-C18 WeakPolarHBondContact O-CB 3.49Å; I14-C18 PolarHBondContact O-N 3.32Å; I14-C18 PolarHBondContact O-SG 3.32Å; A15-C18 PolarHBondContact O-N 2.94Å; C18-S20 PolarHBondContact O-N 3.28Å; C18-C21 WeakPolarHBondContact O-CB 3.02Å; C18-C21 PolarHBondContact O-N 3.49Å; C18-V22 VanDerWaalsContact O-CG2 3.29Å; C18-V22 WeakPolarHBondContact O-CG2 3.29Å; C18-V22 PolarHBondContact O-N 2.76Å
19N83.8Confident84.9Confident85 Ų8592.5 Ų92.546%0.45551%0.51SS..Hα-helixtrans-63.2-42177.5-166.952.4000111.6A15 R16 C21 V22 E23A15-N19 WeakPolarHBondContact O-CB 3.49Å; A15-N19 PolarHBondContact O-N 3.44Å; R16-N19 PolarHBondContact O-N 3.16Å; N19-C21 VanDerWaalsContact C-N 3.33Å; N19-C21 PolarHBondContact O-N 2.78Å; N19-V22 PolarHBondContact O-N 3.32Å; N19-E23 PolarHBondContact ND2-OE1 2.86Å; N19-E23 WeakPolarHBondContact O-CG 3.38Å; N19-E23 PolarHBondContact O-N 3.27Å
20S80.9Confident85.6Confident66 Ų6690 Ų9046%0.46251%0.506SS..Hα-helixtrans-61.8-39.5173.5-1790000112.5R16 S17 C18 T24R16-S20 PolarHBondContact O-N 2.89Å; S17-S20 PolarHBondContact O-N 3.48Å; C18-S20 PolarHBondContact O-N 3.28Å; S20-T24 WeakPolarHBondContact O-CB 3.38Å; S20-T24 PolarHBondContact O-N 3.02Å; S20-T24 PolarHBondContact O-OG1 3.14Å
21C84.2Confident86.4Confident77 Ų7790.7 Ų90.752%0.5251%0.509SS..Hα-helixtrans-64.4-42.1173.7-70.50000112.2S17 C18 N19 T24 L25S17-C21 PolarHBondContact O-N 3.28Å; S17-C21 VanDerWaalsContact O-N 3.15Å; S17-C21 PolarHBondContact O-SG 3.49Å; C18-C21 WeakPolarHBondContact O-CB 3.02Å; C18-C21 PolarHBondContact O-N 3.49Å; N19-C21 VanDerWaalsContact C-N 3.33Å; N19-C21 PolarHBondContact O-N 2.78Å; C21-T24 PolarHBondContact O-N 3.19Å; C21-L25 WeakPolarHBondContact O-CB 3.37Å; C21-L25 WeakPolarHBondContact O-CG 3.34Å; C21-L25 PolarHBondContact O-N 3.21Å
22V89.4Confident87.1Confident88 Ų8890.3 Ų90.353%0.53351%0.508SS..Hα-helixtrans-64.4-45.6177.7170.40000111C18 N19 T24 L25 A26C18-V22 VanDerWaalsContact O-CG2 3.29Å; C18-V22 WeakPolarHBondContact O-CG2 3.29Å; C18-V22 PolarHBondContact O-N 2.76Å; N19-V22 PolarHBondContact O-N 3.32Å; V22-T24 VanDerWaalsContact C-N 3.33Å; V22-T24 PolarHBondContact O-N 2.83Å; V22-L25 PolarHBondContact O-N 3.02Å; V22-A26 WeakPolarHBondContact O-CB 3.43Å; V22-A26 PolarHBondContact O-N 2.95Å
23E91.3Very high87.8Confident108 Ų10889.5 Ų89.551%0.50551%0.512SS..Hα-helixtrans-60.7-43.1175.5-73.8173.3-169.900111.4N19 A26 V27N19-E23 PolarHBondContact ND2-OE1 2.86Å; N19-E23 WeakPolarHBondContact O-CG 3.38Å; N19-E23 PolarHBondContact O-N 3.27Å; E23-A26 PolarHBondContact O-N 3.02Å; E23-V27 WeakPolarHBondContact O-CG2 3.35Å; E23-V27 PolarHBondContact O-N 3.22Å
24T91.8Very high88.6Confident80 Ų8086.6 Ų86.649%0.49151%0.508SS..Hα-helixtrans-61.9-47176-56.60000111.4S20 C21 V22 A26 V27 V28S20-T24 WeakPolarHBondContact O-CB 3.38Å; S20-T24 PolarHBondContact O-N 3.02Å; S20-T24 PolarHBondContact O-OG1 3.14Å; C21-T24 PolarHBondContact O-N 3.19Å; V22-T24 VanDerWaalsContact C-N 3.33Å; V22-T24 PolarHBondContact O-N 2.83Å; T24-A26 VanDerWaalsContact C-N 3.31Å; T24-A26 PolarHBondContact O-N 3.38Å; T24-V27 PolarHBondContact O-N 3.11Å; T24-V28 WeakPolarHBondContact O-CG2 3.39Å; T24-V28 PolarHBondContact O-N 2.94Å
25L93.8Very high89.3Confident124 Ų12485.3 Ų85.365%0.64951%0.507SS*.Hα-helixtrans-62.9-37.5176.3-74.5171.2000112.1C21 V22 V28 G29C21-L25 WeakPolarHBondContact O-CB 3.37Å; C21-L25 WeakPolarHBondContact O-CG 3.34Å; C21-L25 PolarHBondContact O-N 3.21Å; V22-L25 PolarHBondContact O-N 3.02Å; L25-V28 PolarHBondContact O-N 3.39Å; L25-G29 PolarHBondContact O-N 3.31Å
26A94.4Very high90.1Very high60 Ų6088.2 Ų88.250%0.49651%0.512SS..Hα-helixtrans-65-43.3176.400000111.5V22 E23 T24 G29 A30V22-A26 WeakPolarHBondContact O-CB 3.43Å; V22-A26 PolarHBondContact O-N 2.95Å; E23-A26 PolarHBondContact O-N 3.02Å; T24-A26 VanDerWaalsContact C-N 3.31Å; T24-A26 PolarHBondContact O-N 3.38Å; A26-G29 PolarHBondContact O-N 2.89Å; A26-A30 WeakPolarHBondContact O-CB 3.45Å; A26-A30 PolarHBondContact O-N 2.81Å
27V95.3Very high91Very high88 Ų8882 Ų8253%0.53350%0.499SS..Hα-helixtrans-63.5-45.5175.1172.50000110.9E23 T24 G29 A30 L31E23-V27 WeakPolarHBondContact O-CG2 3.35Å; E23-V27 PolarHBondContact O-N 3.22Å; T24-V27 PolarHBondContact O-N 3.11Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 3.42Å; V27-A30 PolarHBondContact O-N 3.17Å; V27-L31 HydrophobicContact CG1-CD1 4.03Å; V27-L31 HydrophobicContact CG1-CG 4.4Å; V27-L31 WeakPolarHBondContact O-CB 3.47Å; V27-L31 WeakPolarHBondContact O-CG 3.44Å; V27-L31 PolarHBondContact O-N 2.85Å
28V95.8Very high91.9Very high87 Ų8783.4 Ų83.453%0.52750%0.504SS..Hα-helixtrans-59.8-44.1175.4172.10000110.9T24 L25 L31 Y32T24-V28 WeakPolarHBondContact O-CG2 3.39Å; T24-V28 PolarHBondContact O-N 2.94Å; L25-V28 PolarHBondContact O-N 3.39Å; V28-L31 PolarHBondContact O-N 2.64Å; V28-Y32 WeakPolarHBondContact O-CB 3.42Å; V28-Y32 PolarHBondContact O-N 2.87Å
29G96.4Very high92.6Very high32 Ų3282.9 Ų82.933%0.3350%0.496SS..Hα-helixtrans-62.6-42.4176.300000112.8L25 A26 V27 Y32 T33L25-G29 PolarHBondContact O-N 3.31Å; A26-G29 PolarHBondContact O-N 2.89Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 3.42Å; G29-Y32 PolarHBondContact O-N 3.45Å; G29-T33 VanDerWaalsContact O-CB 3.32Å; G29-T33 WeakPolarHBondContact O-CB 3.35Å; G29-T33 PolarHBondContact O-N 2.75Å; G29-T33 PolarHBondContact O-OG1 2.96Å
30A96.4Very high92.9Very high61 Ų6184 Ų8450%0.50450%0.502SS..Hα-helixtrans-64.5-45.7176.300000111.6A26 V27 T33 A34A26-A30 WeakPolarHBondContact O-CB 3.45Å; A26-A30 PolarHBondContact O-N 2.81Å; V27-A30 PolarHBondContact O-N 3.17Å; A30-T33 PolarHBondContact O-N 2.93Å; A30-A34 WeakPolarHBondContact O-CB 3.48Å; A30-A34 PolarHBondContact O-N 3.06Å
31L96.1Very high93.6Very high117 Ų11785.7 Ų85.761%0.61351%0.509SS*.Hα-helixtrans-62.3-43.8176.4-72.3173.9000111.9V27 V28 S35V27-L31 HydrophobicContact CG1-CD1 4.03Å; V27-L31 HydrophobicContact CG1-CG 4.4Å; V27-L31 WeakPolarHBondContact O-CB 3.47Å; V27-L31 WeakPolarHBondContact O-CG 3.44Å; V27-L31 PolarHBondContact O-N 2.85Å; V28-L31 PolarHBondContact O-N 2.64Å; L31-S35 VanDerWaalsContact O-CB 3.31Å; L31-S35 WeakPolarHBondContact O-CB 3.46Å; L31-S35 PolarHBondContact O-N 3.12Å
32Y95.3Very high94Very high145 Ų14588.7 Ų88.757%0.56951%0.509SS*.Hα-helixtrans-62-45.2175.1179.1-100.5000111.6V28 G29 S35 K36V28-Y32 WeakPolarHBondContact O-CB 3.42Å; V28-Y32 PolarHBondContact O-N 2.87Å; G29-Y32 PolarHBondContact O-N 3.45Å; Y32-S35 WeakPolarHBondContact O-CB 3.42Å; Y32-S35 PolarHBondContact O-N 2.91Å; Y32-K36 HydrophobicContact CD1-CG 4.28Å; Y32-K36 HydrophobicContact CE1-CG 3.9Å; Y32-K36 HydrophobicContact CE2-CD 4.48Å; Y32-K36 VanDerWaalsContact CE2-CE 3.47Å; Y32-K36 HydrophobicContact CE2-CG 4.26Å; Y32-K36 WeakPolarHBondContact O-CG 3.39Å; Y32-K36 PolarHBondContact O-N 2.87Å; Y32-K36 WeakPolarHBondContact OH-CE 3.49Å
33T95.6Very high94.1Very high90 Ų9085.8 Ų85.855%0.55249%0.491SS*.Hα-helixtrans-63.5-45.3179.2-57.90000111.4G29 A30 S35 K36 A37G29-T33 VanDerWaalsContact O-CB 3.32Å; G29-T33 WeakPolarHBondContact O-CB 3.35Å; G29-T33 PolarHBondContact O-N 2.75Å; G29-T33 PolarHBondContact O-OG1 2.96Å; A30-T33 PolarHBondContact O-N 2.93Å; T33-S35 PolarHBondContact O-N 2.84Å; T33-K36 PolarHBondContact O-N 2.97Å; T33-A37 WeakPolarHBondContact O-CB 3.19Å; T33-A37 PolarHBondContact O-N 3Å
34A95.9Very high94.2Very high56 Ų5683.8 Ų83.846%0.46349%0.488SS..Hα-helixtrans-60.3-4517500000111.5A30 K36 A37 V38A30-A34 WeakPolarHBondContact O-CB 3.48Å; A30-A34 PolarHBondContact O-N 3.06Å; A34-K36 PolarHBondContact O-N 3.15Å; A34-A37 PolarHBondContact O-N 3.26Å; A34-V38 WeakPolarHBondContact O-CG2 3.27Å; A34-V38 PolarHBondContact O-N 2.95Å
35S94.2Very high94.3Very high64 Ų6486.8 Ų86.845%0.44849%0.491SS..Hα-helixtrans-58.9-45.2175.3-179.90000112.1L31 Y32 T33 V38 I39L31-S35 VanDerWaalsContact O-CB 3.31Å; L31-S35 WeakPolarHBondContact O-CB 3.46Å; L31-S35 PolarHBondContact O-N 3.12Å; Y32-S35 WeakPolarHBondContact O-CB 3.42Å; Y32-S35 PolarHBondContact O-N 2.91Å; T33-S35 PolarHBondContact O-N 2.84Å; S35-V38 PolarHBondContact O-N 3.15Å; S35-I39 WeakPolarHBondContact O-CG1 3.38Å; S35-I39 PolarHBondContact O-N 3.41Å
36K92.8Very high94.2Very high103 Ų10382.4 Ų82.445%0.44847%0.471SS..Hα-helixtrans-65.7-38.1175.7-69.7-58-173.7-1780112.9Y32 T33 A34 I39 L40Y32-K36 HydrophobicContact CD1-CG 4.28Å; Y32-K36 HydrophobicContact CE1-CG 3.9Å; Y32-K36 HydrophobicContact CE2-CD 4.48Å; Y32-K36 VanDerWaalsContact CE2-CE 3.47Å; Y32-K36 HydrophobicContact CE2-CG 4.26Å; Y32-K36 WeakPolarHBondContact O-CG 3.39Å; Y32-K36 PolarHBondContact O-N 2.87Å; Y32-K36 WeakPolarHBondContact OH-CE 3.49Å; T33-K36 PolarHBondContact O-N 2.97Å; A34-K36 PolarHBondContact O-N 3.15Å; K36-I39 HydrophobicContact CD-CD1 4.46Å; K36-I39 PolarHBondContact O-N 2.88Å; K36-L40 WeakPolarHBondContact O-CB 3.37Å; K36-L40 PolarHBondContact O-N 2.83Å
37A94.5Very high94.1Very high49 Ų4981.8 Ų81.841%0.40546%0.457SS..Hα-helixtrans-62.6-44.5175.300000111.5T33 A34 I39 L40 V41T33-A37 WeakPolarHBondContact O-CB 3.19Å; T33-A37 PolarHBondContact O-N 3Å; A34-A37 PolarHBondContact O-N 3.26Å; A37-I39 PolarHBondContact O-N 3.15Å; A37-L40 PolarHBondContact O-N 2.82Å; A37-V41 WeakPolarHBondContact O-CG2 3.14Å; A37-V41 PolarHBondContact O-N 3.29Å
38V95.2Very high94.1Very high103 Ų10381.3 Ų81.362%0.62446%0.455SS*.Hα-helixtrans-61.3-44.4175.7171.80000111.3A34 S35 L40 V41 R42A34-V38 WeakPolarHBondContact O-CG2 3.27Å; A34-V38 PolarHBondContact O-N 2.95Å; S35-V38 PolarHBondContact O-N 3.15Å; V38-L40 PolarHBondContact O-N 3.34Å; V38-V41 PolarHBondContact O-N 3.49Å; V38-R42 WeakPolarHBondContact O-CB 3.38Å; V38-R42 PolarHBondContact O-N 3.13Å
39I91Very high94Very high57 Ų5781.5 Ų81.529%0.29245%0.446SS..Hα-helixtrans-60.1-46.4176-70.6165.9000110.6S35 K36 A37 R42 D43S35-I39 WeakPolarHBondContact O-CG1 3.38Å; S35-I39 PolarHBondContact O-N 3.41Å; K36-I39 HydrophobicContact CD-CD1 4.46Å; K36-I39 PolarHBondContact O-N 2.88Å; A37-I39 PolarHBondContact O-N 3.15Å; I39-R42 PolarHBondContact O-N 2.84Å; I39-D43 WeakPolarHBondContact CG2-OD2 3.36Å; I39-D43 VanDerWaalsContact O-CB 3.26Å; I39-D43 WeakPolarHBondContact O-CB 3.4Å; I39-D43 PolarHBondContact O-N 3.14Å
40L91.8Very high93.9Very high110 Ų11080.4 Ų80.458%0.57643%0.432SS*.Hα-helixtrans-60.9-47.7178.9179.663.1000111.7K36 A37 V38 R42 D43 C44K36-L40 WeakPolarHBondContact O-CB 3.37Å; K36-L40 PolarHBondContact O-N 2.83Å; A37-L40 PolarHBondContact O-N 2.82Å; V38-L40 PolarHBondContact O-N 3.34Å; L40-R42 PolarHBondContact O-N 3.11Å; L40-D43 PolarHBondContact O-N 3Å; L40-D43 VanDerWaalsContact O-N 3.17Å; L40-C44 WeakPolarHBondContact O-CB 3.03Å; L40-C44 PolarHBondContact O-N 3Å; L40-C44 PolarHBondContact O-SG 3.35Å; L40-C44 VanDerWaalsContact O-SG 3.33Å
41V94.8Very high93.7Very high100 Ų10077.6 Ų77.661%0.60641%0.409SS*.Hα-helixtrans-60.1-46.6178170.50000110.9A37 V38 D43 C44 Y45A37-V41 WeakPolarHBondContact O-CG2 3.14Å; A37-V41 PolarHBondContact O-N 3.29Å; V38-V41 PolarHBondContact O-N 3.49Å; V41-D43 VanDerWaalsContact C-N 3.28Å; V41-D43 PolarHBondContact O-N 3.09Å; V41-C44 PolarHBondContact O-N 3.42Å; V41-Y45 WeakPolarHBondContact O-CB 3.28Å; V41-Y45 PolarHBondContact O-N 2.87Å
42R93.4Very high93.6Very high141 Ų14175.8 Ų75.853%0.53240%0.396SS..Hα-helixtrans-59.4-41.2175.8-178.1-160.967.9-170.4-2.5111.7V38 I39 L40 S46V38-R42 WeakPolarHBondContact O-CB 3.38Å; V38-R42 PolarHBondContact O-N 3.13Å; I39-R42 PolarHBondContact O-N 2.84Å; L40-R42 PolarHBondContact O-N 3.11Å; R42-S46 WeakPolarHBondContact O-CB 3.22Å; R42-S46 PolarHBondContact O-N 3.14Å; R42-S46 PolarHBondContact O-OG 3.15Å
43D90.1Very high93.3Very high27 Ų2772 Ų7214%0.14439%0.386CS..Hα-helixtrans-70.2-42.4-178.7-71-18.9000111.4I39 L40 V41 S46 F47 R294I39-D43 WeakPolarHBondContact CG2-OD2 3.36Å; I39-D43 VanDerWaalsContact O-CB 3.26Å; I39-D43 WeakPolarHBondContact O-CB 3.4Å; I39-D43 PolarHBondContact O-N 3.14Å; L40-D43 PolarHBondContact O-N 3Å; L40-D43 VanDerWaalsContact O-N 3.17Å; V41-D43 VanDerWaalsContact C-N 3.28Å; V41-D43 PolarHBondContact O-N 3.09Å; D43-S46 PolarHBondContact O-N 3.03Å; D43-F47 VanDerWaalsContact O-CB 3.31Å; D43-F47 WeakPolarHBondContact O-CB 3.46Å; D43-F47 PolarHBondContact O-N 2.61Å; D43-R294 VanDerWaalsContact CB-NH2 3.35Å; D43-R294 VanDerWaalsContact CG-CZ 3.43Å; D43-R294 IonicContact OD1-CZ 3.11Å; D43-R294 IonicContact OD1-NH1 2.62Å; D43-R294 PolarHBondContact OD1-NH1 2.96Å; D43-R294 IonicContact OD1-NH2 3.9Å; D43-R294 PolarHBondContact OD1-NH2 3.44Å; D43-R294 IonicContact OD2-CZ 2.78Å; D43-R294 IonicContact OD2-NH1 3.44Å; D43-R294 PolarHBondContact OD2-NH1 2.76Å; D43-R294 IonicContact OD2-NH2 2.89Å; D43-R294 PolarHBondContact OD2-NH2 2.85Å
44C92.9Very high92.9Very high66 Ų6669.1 Ų69.145%0.44637%0.369SS..Hα-helixtrans-60.9-46.2171.9-71.70000111.7L40 V41 S46 F47 V48L40-C44 WeakPolarHBondContact O-CB 3.03Å; L40-C44 PolarHBondContact O-N 3Å; L40-C44 PolarHBondContact O-SG 3.35Å; L40-C44 VanDerWaalsContact O-SG 3.33Å; V41-C44 PolarHBondContact O-N 3.42Å; C44-S46 VanDerWaalsContact C-N 3.35Å; C44-S46 PolarHBondContact O-N 2.98Å; C44-F47 WeakPolarHBondContact O-CB 3.27Å; C44-F47 PolarHBondContact O-N 3.13Å; C44-V48 WeakPolarHBondContact O-CG2 3.4Å; C44-V48 PolarHBondContact O-N 2.77Å
45Y94Very high92.3Very high142 Ų14271.2 Ų71.256%0.55736%0.364SS*.Hα-helixtrans-59.3-46.9175170.9-98.9000111.3V41 F47 V48 R49V41-Y45 WeakPolarHBondContact O-CB 3.28Å; V41-Y45 PolarHBondContact O-N 2.87Å; Y45-F47 VanDerWaalsContact C-N 3.31Å; Y45-F47 PolarHBondContact O-N 3.26Å; Y45-V48 PolarHBondContact O-N 3.49Å; Y45-R49 HydrophobicContact CE1-CB 4.48Å; Y45-R49 WeakPolarHBondContact O-CB 3.22Å; Y45-R49 PolarHBondContact O-N 2.91Å
46S91.8Very high91.8Very high33 Ų3375 Ų7523%0.23138%0.379CS..Hα-helixtrans-61.6-41.3178.5-60.80000111.4R42 D43 C44 R49 V50R42-S46 WeakPolarHBondContact O-CB 3.22Å; R42-S46 PolarHBondContact O-N 3.14Å; R42-S46 PolarHBondContact O-OG 3.15Å; D43-S46 PolarHBondContact O-N 3.03Å; C44-S46 VanDerWaalsContact C-N 3.35Å; C44-S46 PolarHBondContact O-N 2.98Å; S46-R49 PolarHBondContact O-N 3.25Å; S46-V50 VanDerWaalsContact O-CB 3.32Å; S46-V50 WeakPolarHBondContact O-CB 3.5Å; S46-V50 WeakPolarHBondContact O-CG2 3.31Å; S46-V50 PolarHBondContact O-N 3.07Å
47F93.7Very high91Very high46 Ų4675.6 Ų75.620%0.20238%0.384CS..Hα-helixtrans-61.2-48.9176.9176.4-96.5000112D43 C44 Y45 V50 H51 F52 W287 T290 L291D43-F47 VanDerWaalsContact O-CB 3.31Å; D43-F47 WeakPolarHBondContact O-CB 3.46Å; D43-F47 PolarHBondContact O-N 2.61Å; C44-F47 WeakPolarHBondContact O-CB 3.27Å; C44-F47 PolarHBondContact O-N 3.13Å; Y45-F47 VanDerWaalsContact C-N 3.31Å; Y45-F47 PolarHBondContact O-N 3.26Å; F47-V50 PolarHBondContact O-N 3.32Å; F47-H51 PolarHBondContact O-N 3.02Å; F47-H51 VanDerWaalsContact O-N 3.08Å; F47-F52 HydrophobicContact CD1-CE2 4.05Å; F47-F52 HydrophobicContact CE1-CD2 4.28Å; F47-F52 AromaticContact CE1-CE2 3.41Å; F47-F52 HydrophobicContact CE1-CE2 3.41Å; F47-F52 VanDerWaalsContact CE1-CE2 3.41Å; F47-F52 HydrophobicContact CE1-CZ 4.17Å; F47-F52 AromaticContact CZ-CE2 3.84Å; F47-F52 HydrophobicContact CZ-CE2 3.84Å; F47-F52 HydrophobicContact CZ-CZ 4.44Å; F47-W287 HydrophobicContact CE2-CB 4.01Å; F47-W287 HydrophobicContact CE2-CE3 4.33Å; F47-W287 HydrophobicContact CZ-CB 4.1Å; F47-W287 HydrophobicContact CZ-CD2 4.38Å; F47-W287 AromaticContact CZ-CE3 3.7Å; F47-W287 HydrophobicContact CZ-CE3 3.7Å; F47-W287 HydrophobicContact CZ-CZ3 4.45Å; F47-T290 HydrophobicContact CD2-CG2 3.91Å; F47-T290 HydrophobicContact CE2-CG2 4.35Å; F47-L291 HydrophobicContact CE2-CD2 4.27Å; F47-L291 HydrophobicContact CE2-CG 4.39Å; F47-L291 HydrophobicContact CZ-CD2 4.44Å
48V94.3Very high89.7Confident79 Ų7979.4 Ų79.448%0.47941%0.405SS..Hα-helixtrans-62.8-46.7176.5174.50000110.9C44 Y45 V50 F52 L53C44-V48 WeakPolarHBondContact O-CG2 3.4Å; C44-V48 PolarHBondContact O-N 2.77Å; Y45-V48 PolarHBondContact O-N 3.49Å; V48-V50 VanDerWaalsContact C-N 3.33Å; V48-V50 PolarHBondContact O-N 3.46Å; V48-F52 HydrophobicContact CG1-CB 4.4Å; V48-F52 WeakPolarHBondContact O-CB 3.36Å; V48-F52 PolarHBondContact O-N 3.32Å; V48-L53 PolarHBondContact O-N 2.86Å
49R94.2Very high88.3Confident91 Ų9178.6 Ų78.634%0.34340%0.404SS..Hα-helixtrans-60.6-39179.9-172.6-17173.3178.62.1112.7Y45 S46 L53 P54Y45-R49 HydrophobicContact CE1-CB 4.48Å; Y45-R49 WeakPolarHBondContact O-CB 3.22Å; Y45-R49 PolarHBondContact O-N 2.91Å; S46-R49 PolarHBondContact O-N 3.25Å; R49-L53 HydrophobicContact CG-CD2 4.27Å; R49-P54 WeakPolarHBondContact O-CD 3.5Å
50V93.7Very high87.2Confident8 Ų880.7 Ų80.75%0.04842%0.42CS..Hα-helixtrans-82.7-38.2-175172.70000112.2S46 F47 V48 P54 T276 I279S46-V50 VanDerWaalsContact O-CB 3.32Å; S46-V50 WeakPolarHBondContact O-CB 3.5Å; S46-V50 WeakPolarHBondContact O-CG2 3.31Å; S46-V50 PolarHBondContact O-N 3.07Å; F47-V50 PolarHBondContact O-N 3.32Å; V48-V50 VanDerWaalsContact C-N 3.33Å; V48-V50 PolarHBondContact O-N 3.46Å; V50-P54 WeakPolarHBondContact O-CG 3.5Å; V50-T276 HydrophobicContact CG1-CG2 3.8Å; V50-I279 HydrophobicContact CG2-CG2 4.28Å
51H93.6Very high86.8Confident3 Ų383.9 Ų83.91%0.01442%0.424CS..Hα-helixtrans-107.8-22.3-170.3-65.5-71000115.5F47 R55 W287 T290F47-H51 PolarHBondContact O-N 3.02Å; F47-H51 VanDerWaalsContact O-N 3.08Å; H51-R55 VanDerWaalsContact O-CZ 3.23Å; H51-R55 PolarHBondContact O-NH1 2.87Å; H51-R55 VanDerWaalsContact O-NH1 3.14Å; H51-W287 HydrophobicContact CB-CB 3.79Å; H51-T290 PolarHBondContact NE2-OG1 3.13Å
52F92.4Very high86.6Confident78 Ų7879.8 Ų79.834%0.34240%0.399SS..THydrogen-bonded Turntrans-113.1-46.8-173.2-65.5-93000111.9F47 V48 P54 R55 L56 W287F47-F52 HydrophobicContact CD1-CE2 4.05Å; F47-F52 HydrophobicContact CE1-CD2 4.28Å; F47-F52 AromaticContact CE1-CE2 3.41Å; F47-F52 HydrophobicContact CE1-CE2 3.41Å; F47-F52 VanDerWaalsContact CE1-CE2 3.41Å; F47-F52 HydrophobicContact CE1-CZ 4.17Å; F47-F52 AromaticContact CZ-CE2 3.84Å; F47-F52 HydrophobicContact CZ-CE2 3.84Å; F47-F52 HydrophobicContact CZ-CZ 4.44Å; V48-F52 HydrophobicContact CG1-CB 4.4Å; V48-F52 WeakPolarHBondContact O-CB 3.36Å; V48-F52 PolarHBondContact O-N 3.32Å; F52-P54 VanDerWaalsContact C-CD 3.42Å; F52-R55 WeakPolarHBondContact O-CB 3.13Å; F52-R55 PolarHBondContact O-N 3.01Å; F52-R55 VanDerWaalsContact O-N 3.07Å; F52-L56 PolarHBondContact O-N 3.23Å; F52-W287 HydrophobicContact CZ-CD2 4.39Å; F52-W287 HydrophobicContact CZ-CG 4.42Å
53L89.8Confident86.4Confident67 Ų6773.8 Ų73.835%0.35138%0.381SS..Hα-helixtrans-55.4-41.8-179.5-165.764.9000114.3V48 R49 R55 L56 M57V48-L53 PolarHBondContact O-N 2.86Å; R49-L53 HydrophobicContact CG-CD2 4.27Å; L53-R55 PolarHBondContact O-N 3.15Å; L53-R55 VanDerWaalsContact O-N 3.17Å; L53-L56 PolarHBondContact O-N 3.3Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L53-M57 HydrophobicContact CD1-CE 3.89Å; L53-M57 HydrophobicContact CD1-CG 4.49Å; L53-M57 HydrophobicContact CD1-SD 4.12Å; L53-M57 HydrophobicContact CD2-SD 4.49Å; L53-M57 HydrophobicContact CG-CE 4.39Å; L53-M57 HydrophobicContact CG-SD 4.04Å; L53-M57 PolarHBondContact O-N 2.95Å
54P86.9Confident86.4Confident29 Ų2981.6 Ų81.619%0.18841%0.408CS..Hα-helixtrans-67.8-16.6-179.3-20.835.7000113.8R49 V50 F52 S275 I279R49-P54 WeakPolarHBondContact O-CD 3.5Å; V50-P54 WeakPolarHBondContact O-CG 3.5Å; F52-P54 VanDerWaalsContact C-CD 3.42Å; P54-S275 WeakPolarHBondContact CB-O 3.33Å; P54-I279 HydrophobicContact CB-CD1 3.67Å; P54-I279 HydrophobicContact CG-CD1 3.3Å; P54-I279 HydrophobicContact CG-CG1 4.41Å
55R83.9Confident86.5Confident100 Ų10083.3 Ų83.338%0.37741%0.405SS..Hα-helixtrans-87.7-22.4176.7-62-174.7177.4132.117.5112.8H51 F52 L53 H272H51-R55 VanDerWaalsContact O-CZ 3.23Å; H51-R55 PolarHBondContact O-NH1 2.87Å; H51-R55 VanDerWaalsContact O-NH1 3.14Å; F52-R55 WeakPolarHBondContact O-CB 3.13Å; F52-R55 PolarHBondContact O-N 3.01Å; F52-R55 VanDerWaalsContact O-N 3.07Å; L53-R55 PolarHBondContact O-N 3.15Å; L53-R55 VanDerWaalsContact O-N 3.17Å; R55-H272 PolarHBondContact NH1-CE1 2.95Å; R55-H272 PolarHBondContact NH2-CE1 2.87Å; R55-H272 VanDerWaalsContact NH2-CE1 3.3Å; R55-H272 PolarHBondContact NH2-ND1 3.21Å
56L83.3Confident86.6Confident143 Ų14376.8 Ų76.875%0.74938%0.38SS*.Hα-helixtrans-90.5-19.4-180-61.8174.7000111.9F52 L53F52-L56 PolarHBondContact O-N 3.23Å; L53-L56 PolarHBondContact O-N 3.3Å; L53-L56 VanDerWaalsContact O-N 3.11Å
57M76.3Confident86.8Confident115 Ų11575.2 Ų75.257%0.56737%0.369SS*.SBendtrans-105.9144-179.2-67.8-175.2162.500111.3L53 S59L53-M57 HydrophobicContact CD1-CE 3.89Å; L53-M57 HydrophobicContact CD1-CG 4.49Å; L53-M57 HydrophobicContact CD1-SD 4.12Å; L53-M57 HydrophobicContact CD2-SD 4.49Å; L53-M57 HydrophobicContact CG-CE 4.39Å; L53-M57 HydrophobicContact CG-SD 4.04Å; L53-M57 PolarHBondContact O-N 2.95Å; M57-S59 PolarHBondContact O-N 3.39Å
58P66.3Low87Confident130 Ų13078.9 Ų78.984%0.84439%0.386SS*.PPolyproline II helixtrans-58.2122.3172.6-18.429.4000109.9
59S65.4Low87.2Confident85 Ų8576.4 Ų76.459%0.59437%0.369SS*.PPolyproline II helixtrans-71.3135.4176.866.40000110.1M57 R61M57-S59 PolarHBondContact O-N 3.39Å; S59-R61 PolarHBondContact O-N 3.5Å
60T68.1Low87.3Confident101 Ų10172.1 Ų72.162%0.6235%0.352SS*.PPolyproline II helixtrans-62.3134.8165.1-42.50000108.1L62T60-L62 PolarHBondContact O-N 3.48Å
61R84.4Confident87.5Confident177 Ų17771.7 Ų71.767%0.66835%0.35SS*.PPolyproline II helixtrans-52.3116.5177.1-69.9-172.5-173.8176.32109.7S59 G63 R64 R65S59-R61 PolarHBondContact O-N 3.5Å; R61-G63 PolarHBondContact O-N 3.21Å; R61-G63 VanDerWaalsContact O-N 3.15Å; R61-R64 HydrophobicContact CB-CG 4.5Å; R61-R64 PolarHBondContact O-N 2.99Å; R61-R65 PolarHBondContact O-N 2.74Å
62L90.5Very high87.7Confident14 Ų1471.6 Ų71.67%0.07335%0.349CS..Hα-helixtrans-54.9-36-175.9-72179.2000111.9T60 R64 R65 F66 L87 Q90 F147 I274T60-L62 PolarHBondContact O-N 3.48Å; L62-R64 PolarHBondContact O-N 3.47Å; L62-R65 PolarHBondContact O-N 2.93Å; L62-R65 VanDerWaalsContact O-N 3.08Å; L62-F66 HydrophobicContact CD2-CD2 4.2Å; L62-F66 HydrophobicContact CD2-CE2 4Å; L62-F66 PolarHBondContact O-N 3.03Å; L62-L87 HydrophobicContact CD1-CD2 4.22Å; L62-Q90 HydrophobicContact CD1-CG 4.2Å; L62-F147 HydrophobicContact CB-CE1 4.46Å; L62-F147 HydrophobicContact CB-CZ 3.9Å; L62-I274 HydrophobicContact CD1-CG2 3.74Å
63G89.6Confident87.8Confident15 Ų1568.8 Ų68.816%0.15534%0.337CS..Hα-helixtrans-61.7-39.7179.100000113.7R61 R65 G67 I92R61-G63 PolarHBondContact O-N 3.21Å; R61-G63 VanDerWaalsContact O-N 3.15Å; G63-R65 VanDerWaalsContact C-N 3.31Å; G63-R65 PolarHBondContact O-N 3.25Å; G63-G67 VanDerWaalsContact CA-O 3.28Å; G63-G67 WeakPolarHBondContact CA-O 3.21Å; G63-G67 CarbonylContact O-C 3.41Å; G63-G67 VanDerWaalsContact O-CA 3.31Å; G63-G67 WeakPolarHBondContact O-CA 3.33Å; G63-G67 PolarHBondContact O-N 3.16Å; G63-I92 VanDerWaalsContact CA-CD1 3.41Å
64R90.2Very high87.7Confident191 Ų19166.3 Ų66.372%0.72133%0.327SS*.Hα-helixtrans-66.9-36174.5-73.1-172.8175.8-170.8-1.7111.9R61 L62 R197R61-R64 HydrophobicContact CB-CG 4.5Å; R61-R64 PolarHBondContact O-N 2.99Å; L62-R64 PolarHBondContact O-N 3.47Å; R64-R197 PolarHBondContact O-NH1 3.45Å
65R93.6Very high87.6Confident102 Ų10265 Ų6539%0.38532%0.319SS..Hα-helixtrans-76.1-40.3-174.2-173175.2176.9-172.80.1112.9R61 L62 G63 G278R61-R65 PolarHBondContact O-N 2.74Å; L62-R65 PolarHBondContact O-N 2.93Å; L62-R65 VanDerWaalsContact O-N 3.08Å; G63-R65 VanDerWaalsContact C-N 3.31Å; G63-R65 PolarHBondContact O-N 3.25Å; R65-G278 PolarHBondContact NH1-O 3.02Å; R65-G278 PolarHBondContact NH2-O 3.43Å
66F96.5Very high87.7Confident6 Ų663.9 Ų63.93%0.02633%0.326CS..Hα-helixtrans-120.6-36.4-170.2-60.8-61.7000113.4L62 G146 F147 G198 A199 F242 L277L62-F66 HydrophobicContact CD2-CD2 4.2Å; L62-F66 HydrophobicContact CD2-CE2 4Å; L62-F66 PolarHBondContact O-N 3.03Å; F66-G146 VanDerWaalsContact C-CA 3.48Å; F66-G146 WeakPolarHBondContact O-CA 3.2Å; F66-F147 HydrophobicContact CB-CD1 4.33Å; F66-F147 HydrophobicContact CB-CE1 3.71Å; F66-F147 HydrophobicContact CB-CE2 4.01Å; F66-F147 HydrophobicContact CB-CZ 3.52Å; F66-F147 HydrophobicContact CD2-CD1 4.45Å; F66-F147 AromaticContact CD2-CE1 3.45Å; F66-F147 HydrophobicContact CD2-CE1 3.45Å; F66-F147 VanDerWaalsContact CD2-CE1 3.45Å; F66-F147 AromaticContact CD2-CZ 3.74Å; F66-F147 HydrophobicContact CD2-CZ 3.74Å; F66-F147 HydrophobicContact CE2-CE1 4.35Å; F66-F147 AromaticContact CG-CE1 3.9Å; F66-F147 HydrophobicContact CG-CE1 3.9Å; F66-F147 HydrophobicContact CG-CZ 4.08Å; F66-G198 WeakPolarHBondContact CD1-O 3.49Å; F66-A199 HydrophobicContact CB-CB 4.36Å; F66-A199 HydrophobicContact CD1-CB 3.82Å; F66-A199 HydrophobicContact CD2-CB 4.24Å; F66-A199 HydrophobicContact CE1-CB 4.07Å; F66-A199 HydrophobicContact CE2-CB 4.45Å; F66-A199 HydrophobicContact CG-CB 3.89Å; F66-A199 HydrophobicContact CZ-CB 4.36Å; F66-F242 HydrophobicContact CE1-CB 3.71Å; F66-F242 HydrophobicContact CE1-CG 4.43Å; F66-F242 HydrophobicContact CZ-CB 4.23Å; F66-F242 HydrophobicContact CZ-CG 4.49Å; F66-L277 HydrophobicContact CE2-CD2 4.36Å; F66-L277 HydrophobicContact CE2-CG 4.23Å
67G96.3Very high87.9Confident0 Ų059.7 Ų59.70%030%0.303CS..  trans143.4173.5178.300000111.9G63 D144 F147G63-G67 VanDerWaalsContact CA-O 3.28Å; G63-G67 WeakPolarHBondContact CA-O 3.21Å; G63-G67 CarbonylContact O-C 3.41Å; G63-G67 VanDerWaalsContact O-CA 3.31Å; G63-G67 WeakPolarHBondContact O-CA 3.33Å; G63-G67 PolarHBondContact O-N 3.16Å; G67-D144 WeakPolarHBondContact CA-OD2 3.31Å; G67-F147 VanDerWaalsContact O-CE2 3.29Å; G67-F147 WeakPolarHBondContact O-CE2 3.38Å
68E97.1Very high88.6Confident122 Ų12255.7 Ų55.757%0.5729%0.288SS*.SBendtrans-88.1-20.7-170-63.4-174.4161.100114.7I92 C93 D144E68-I92 WeakPolarHBondContact O-CG2 3.26Å; E68-C93 PolarHBondContact O-N 3.3Å; E68-D144 PolarHBondContact N-O 3.43Å; E68-D144 PolarHBondContact N-OD2 3.5Å
69W98.3Very high89.9Confident28 Ų2850.8 Ų50.811%0.10626%0.255CS..EExtended strand (participates in β ladder)trans-115.2139.6-177.3-72.981.2000112.6C93 I95 D118 K143 D144 I145 G146 F147W69-C93 CarbonylContact C-O 3.55Å; W69-C93 WeakPolarHBondContact CA-O 3.48Å; W69-C93 HydrophobicContact CD2-CB 3.41Å; W69-C93 VanDerWaalsContact CD2-CB 3.41Å; W69-C93 HydrophobicContact CE3-CB 3.41Å; W69-C93 VanDerWaalsContact CE3-CB 3.41Å; W69-C93 HydrophobicContact CG-CB 4.03Å; W69-C93 HydrophobicContact CH2-CB 3.86Å; W69-C93 HydrophobicContact CZ2-CB 3.82Å; W69-C93 HydrophobicContact CZ3-CB 3.66Å; W69-I95 HydrophobicContact CD2-CD1 4.5Å; W69-I95 HydrophobicContact CE3-CD1 3.78Å; W69-I95 HydrophobicContact CE3-CG1 3.48Å; W69-I95 VanDerWaalsContact CE3-CG1 3.48Å; W69-I95 HydrophobicContact CZ3-CD1 4.28Å; W69-I95 HydrophobicContact CZ3-CG1 3.79Å; W69-D118 HydrophobicContact CH2-CB 3.55Å; W69-D118 HydrophobicContact CZ2-CB 4Å; W69-D118 HydrophobicContact CZ3-CB 4.34Å; W69-K143 HydrophobicContact CD2-CB 4.4Å; W69-K143 HydrophobicContact CD2-CD 3.88Å; W69-K143 HydrophobicContact CD2-CG 4.36Å; W69-K143 HydrophobicContact CE3-CD 4.03Å; W69-K143 HydrophobicContact CG-CB 4.06Å; W69-K143 HydrophobicContact CG-CD 4.38Å; W69-K143 HydrophobicContact CH2-CD 4.4Å; W69-K143 HydrophobicContact CZ2-CD 4.3Å; W69-K143 HydrophobicContact CZ3-CD 4.28Å; W69-D144 PolarHBondContact N-O 2.91Å; W69-I145 HydrophobicContact CB-CD1 3.69Å; W69-I145 HydrophobicContact CG-CD1 4.45Å; W69-G146 PolarHBondContact O-N 3.26Å; W69-F147 PolarHBondContact O-N 3.46Å; W69-F147 VanDerWaalsContact O-N 3.11Å
70A98.3Very high91.2Very high0 Ų046.8 Ų46.80%023%0.226CC..EExtended strand (participates in β ladder)trans-116.5127.4173.800000111.3I72 L87 I92 C93 I94 I95 F147A70-I72 HydrophobicContact CB-CD1 4.17Å; A70-L87 HydrophobicContact CB-CD1 3.74Å; A70-I92 HydrophobicContact CB-CG2 3.68Å; A70-C93 PolarHBondContact N-O 3.44Å; A70-I94 HydrophobicContact CB-CD1 3.99Å; A70-I95 PolarHBondContact O-N 3.34Å; A70-F147 WeakPolarHBondContact CA-O 3.31Å; A70-F147 HydrophobicContact CB-CB 3.68Å; A70-F147 HydrophobicContact CB-CD2 3.99Å; A70-F147 HydrophobicContact CB-CG 4.14Å
71V97.8Very high92.5Very high0 Ų045.6 Ų45.60%021%0.213CC..EExtended strand (participates in β ladder)trans-95.7122.9171.6-178.40000108.8I95 I97 L140 I145 F147 L148 V149 M184V71-I95 WeakPolarHBondContact CA-O 3.44Å; V71-I95 HydrophobicContact CG2-CB 4.3Å; V71-I95 HydrophobicContact CG2-CD1 4.19Å; V71-I97 HydrophobicContact CG1-CD1 3.45Å; V71-I97 VanDerWaalsContact CG1-CD1 3.45Å; V71-I97 HydrophobicContact CG1-CG1 3.98Å; V71-L140 HydrophobicContact CG2-CD1 3.98Å; V71-L140 HydrophobicContact CG2-CD2 3.76Å; V71-I145 HydrophobicContact CG2-CD1 4.13Å; V71-I145 HydrophobicContact CG2-CG2 3.84Å; V71-F147 PolarHBondContact N-O 3.36Å; V71-L148 HydrophobicContact CB-CD1 4.08Å; V71-L148 HydrophobicContact CG1-CD1 3.99Å; V71-L148 CarbonylContact O-C 3.53Å; V71-L148 WeakPolarHBondContact O-CA 2.98Å; V71-V149 PolarHBondContact O-N 3.33Å; V71-M184 HydrophobicContact CG1-CE 3.51Å
72I96.6Very high93Very high0 Ų037.3 Ų37.30%018%0.182CC..EExtended strand (participates in β ladder)trans-116.1106.6-179.3-44.4-62.3000108.4A70 A75 A84 L87 I94 I95 L96 I97 V149A70-I72 HydrophobicContact CB-CD1 4.17Å; I72-A75 HydrophobicContact CG2-CB 4.06Å; I72-A84 HydrophobicContact CD1-CB 4.48Å; I72-A84 HydrophobicContact CG1-CB 3.89Å; I72-A84 HydrophobicContact CG2-CB 4.42Å; I72-L87 HydrophobicContact CD1-CD1 4.01Å; I72-I94 HydrophobicContact CG1-CG2 4.02Å; I72-I95 PolarHBondContact N-O 3.08Å; I72-L96 HydrophobicContact CB-CD2 3.93Å; I72-L96 HydrophobicContact CG1-CD2 4.1Å; I72-I97 PolarHBondContact O-N 3.41Å; I72-V149 HydrophobicContact CD1-CB 3.63Å; I72-V149 HydrophobicContact CD1-CG2 3.51Å; I72-V149 HydrophobicContact CG2-CB 4.47Å
73Y93.9Very high93.3Very high20 Ų2036.7 Ų36.78%0.07818%0.179CC..EExtended strand (participates in β ladder)trans-92.6132.7169.5178.9-100.5000109.6I97 F126 V149 C151 R176 A180Y73-I97 HydrophobicContact CD2-CB 4.21Å; Y73-I97 HydrophobicContact CD2-CG2 4.01Å; Y73-F126 HydrophobicContact CD2-CD2 4.34Å; Y73-F126 AromaticContact CD2-CE2 3.92Å; Y73-F126 HydrophobicContact CD2-CE2 3.92Å; Y73-F126 AromaticContact CE2-CD2 3.57Å; Y73-F126 HydrophobicContact CE2-CD2 3.57Å; Y73-F126 AromaticContact CE2-CE2 3.59Å; Y73-F126 HydrophobicContact CE2-CE2 3.59Å; Y73-V149 PolarHBondContact N-O 2.82Å; Y73-C151 PolarHBondContact O-N 2.89Å; Y73-R176 VanDerWaalsContact CE1-O 3.29Å; Y73-R176 WeakPolarHBondContact CE1-O 3.47Å; Y73-A180 HydrophobicContact CD1-CB 4.22Å; Y73-A180 HydrophobicContact CE1-CB 3.47Å; Y73-A180 VanDerWaalsContact CE1-CB 3.47Å; Y73-A180 HydrophobicContact CE2-CB 4.02Å; Y73-A180 WeakPolarHBondContact OH-CB 3.44Å
74G88.1Confident93.7Very high15 Ų1536 Ų3616%0.15517%0.171CC..THydrogen-bonded Turntrans83.632.5-174.800000113.2S76 E77 I97G74-S76 PolarHBondContact O-N 3.33Å; G74-E77 WeakPolarHBondContact O-CB 3.47Å; G74-E77 PolarHBondContact O-N 2.94Å; G74-E77 VanDerWaalsContact O-N 3.1Å; G74-I97 PolarHBondContact N-O 2.86Å
75A84.8Confident94Very high2 Ų229.6 Ų29.62%0.01715%0.15CC..THydrogen-bonded Turntrans-69.3-10.6178.200000114.4I72 L96 V104I72-A75 HydrophobicContact CG2-CB 4.06Å; A75-L96 HydrophobicContact CB-CB 4.15Å; A75-L96 HydrophobicContact CB-CD1 4.39Å; A75-L96 HydrophobicContact CB-CD2 3.69Å; A75-L96 HydrophobicContact CB-CG 4.29Å; A75-V104 HydrophobicContact CB-CG1 4.04Å
76S85.5Confident94.2Very high75 Ų7525.4 Ų25.452%0.52414%0.135SC..THydrogen-bonded Turntrans-68.9-23.5169-56.70000112.2G74 S103G74-S76 PolarHBondContact O-N 3.33Å; S76-S103 PolarHBondContact OG-OG 3.21Å; S76-S103 VanDerWaalsContact OG-OG 3.09Å
77E88.3Confident94.2Very high55 Ų5525.1 Ų25.126%0.25713%0.133SC..SBendtrans-75.3141.6176.2-64.5-60146.400110.9G74 I79 G80 K81G74-E77 WeakPolarHBondContact O-CB 3.47Å; G74-E77 PolarHBondContact O-N 2.94Å; G74-E77 VanDerWaalsContact O-N 3.1Å; E77-I79 PolarHBondContact O-N 2.93Å; E77-G80 PolarHBondContact O-N 3.26Å; E77-K81 PolarHBondContact O-N 2.7Å
78A90.6Very high94.3Very high31 Ų3125.2 Ų25.226%0.25613%0.134SC..Hα-helixtrans-57-38.7-177.200000112.8A82 P253 S266A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 3.02Å; A78-A82 VanDerWaalsContact O-N 3.11Å; A78-P253 HydrophobicContact CB-CB 4.02Å; A78-P253 HydrophobicContact CB-CG 4.28Å; A78-S266 WeakPolarHBondContact O-CB 3.44Å
79I93.5Very high94.2Very high28 Ų2825.2 Ų25.214%0.14413%0.129CC..Hα-helixtrans-68.3-45.8176.4-58.8178.7000110.4E77 K81 A82 Y83 I203 P248 V251 Y269E77-I79 PolarHBondContact O-N 2.93Å; I79-K81 PolarHBondContact O-N 3.2Å; I79-A82 PolarHBondContact O-N 2.98Å; I79-Y83 VanDerWaalsContact O-CB 3.27Å; I79-Y83 WeakPolarHBondContact O-CB 3.39Å; I79-Y83 PolarHBondContact O-N 3.46Å; I79-I203 HydrophobicContact CG2-CD1 3.95Å; I79-I203 HydrophobicContact CG2-CG2 4.26Å; I79-P248 HydrophobicContact CD1-CB 4.47Å; I79-P248 HydrophobicContact CD1-CG 4.25Å; I79-V251 HydrophobicContact CD1-CB 3.96Å; I79-V251 HydrophobicContact CD1-CG1 4.41Å; I79-V251 HydrophobicContact CD1-CG2 3.87Å; I79-V251 HydrophobicContact CG1-CB 4.11Å; I79-V251 HydrophobicContact CG1-CG1 4.05Å; I79-V251 HydrophobicContact CG1-CG2 4.39Å; I79-Y269 HydrophobicContact CD1-CE1 4.49Å; I79-Y269 HydrophobicContact CG2-CD1 3.81Å; I79-Y269 HydrophobicContact CG2-CE1 3.61Å
80G94Very high94Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-59-46.5179.500000112.1E77 Y83 A84E77-G80 PolarHBondContact O-N 3.26Å; G80-Y83 PolarHBondContact O-N 3.45Å; G80-A84 WeakPolarHBondContact O-CB 3.46Å; G80-A84 PolarHBondContact O-N 3.39Å
81K94.1Very high93.9Very high77 Ų7729.2 Ų29.234%0.33516%0.162SC..Hα-helixtrans-57.8-53.7174.1173167177.5166.80112.4E77 I79 Y83 A84 E85 T107E77-K81 PolarHBondContact O-N 2.7Å; I79-K81 PolarHBondContact O-N 3.2Å; K81-Y83 VanDerWaalsContact C-N 3.27Å; K81-Y83 PolarHBondContact O-N 2.77Å; K81-A84 WeakPolarHBondContact O-CB 3.4Å; K81-A84 PolarHBondContact O-N 3.39Å; K81-A84 VanDerWaalsContact O-N 3.13Å; K81-E85 WeakPolarHBondContact CE-OE1 3.43Å; K81-E85 PolarHBondContact O-N 3.32Å; K81-T107 HydrophobicContact CD-CG2 3.83Å; K81-T107 HydrophobicContact CG-CG2 3.76Å; K81-T107 PolarHBondContact NZ-OG1 3.19Å
82A95.8Very high93.9Very high3 Ų329.3 Ų29.33%0.02516%0.163CC..Hα-helixtrans-63.8-34-178.700000112.4A78 I79 E86 S266 A270A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 3.02Å; A78-A82 VanDerWaalsContact O-N 3.11Å; I79-A82 PolarHBondContact O-N 2.98Å; A82-E86 WeakPolarHBondContact O-CB 3.2Å; A82-E86 PolarHBondContact O-N 3.47Å; A82-S266 VanDerWaalsContact CB-C 3.45Å; A82-S266 VanDerWaalsContact CB-O 3.31Å; A82-S266 WeakPolarHBondContact CB-O 3.45Å; A82-A270 VanDerWaalsContact C-CB 3.46Å; A82-A270 HydrophobicContact CB-CB 3.8Å; A82-A270 WeakPolarHBondContact O-CB 3.07Å
83Y97.2Very high93.9Very high0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-66.8-40174.8-155.7-77.3000111.6I79 G80 K81 E86 L87 V149 I203 L246 A273 I274I79-Y83 VanDerWaalsContact O-CB 3.27Å; I79-Y83 WeakPolarHBondContact O-CB 3.39Å; I79-Y83 PolarHBondContact O-N 3.46Å; G80-Y83 PolarHBondContact O-N 3.45Å; K81-Y83 VanDerWaalsContact C-N 3.27Å; K81-Y83 PolarHBondContact O-N 2.77Å; Y83-E86 PolarHBondContact O-N 2.88Å; Y83-L87 HydrophobicContact CD1-CD1 3.84Å; Y83-L87 HydrophobicContact CD1-CG 4.05Å; Y83-L87 HydrophobicContact CE1-CD1 3.8Å; Y83-L87 HydrophobicContact CE1-CD2 4.38Å; Y83-L87 HydrophobicContact CE1-CG 4Å; Y83-L87 WeakPolarHBondContact O-CG 3.46Å; Y83-L87 PolarHBondContact O-N 2.74Å; Y83-V149 HydrophobicContact CD1-CG1 4.05Å; Y83-V149 HydrophobicContact CD1-CG2 3.81Å; Y83-V149 HydrophobicContact CE1-CG1 4.32Å; Y83-V149 HydrophobicContact CE1-CG2 3.65Å; Y83-V149 HydrophobicContact CG-CG1 4.36Å; Y83-I203 HydrophobicContact CD2-CD1 4.46Å; Y83-L246 HydrophobicContact CE2-CD1 3.83Å; Y83-A273 HydrophobicContact CD2-CB 4.38Å; Y83-A273 HydrophobicContact CE2-CB 3.93Å; Y83-I274 HydrophobicContact CD1-CD1 3.93Å; Y83-I274 HydrophobicContact CD1-CG1 4.23Å; Y83-I274 HydrophobicContact CD2-CD1 4.29Å; Y83-I274 HydrophobicContact CD2-CG1 4.18Å; Y83-I274 HydrophobicContact CE1-CD1 3.86Å; Y83-I274 HydrophobicContact CE1-CG1 3.7Å; Y83-I274 HydrophobicContact CE2-CD1 4.22Å; Y83-I274 HydrophobicContact CE2-CG1 3.65Å; Y83-I274 HydrophobicContact CG-CD1 4.15Å; Y83-I274 HydrophobicContact CG-CG1 4.45Å
84A97.3Very high94.2Very high0 Ų029.3 Ų29.30%017%0.165CC..Hα-helixtrans-62.7-47174.800000111.8I72 G80 K81 E86 L87 A88 I94 L96 I111I72-A84 HydrophobicContact CD1-CB 4.48Å; I72-A84 HydrophobicContact CG1-CB 3.89Å; I72-A84 HydrophobicContact CG2-CB 4.42Å; G80-A84 WeakPolarHBondContact O-CB 3.46Å; G80-A84 PolarHBondContact O-N 3.39Å; K81-A84 WeakPolarHBondContact O-CB 3.4Å; K81-A84 PolarHBondContact O-N 3.39Å; K81-A84 VanDerWaalsContact O-N 3.13Å; A84-E86 PolarHBondContact O-N 2.89Å; A84-L87 PolarHBondContact O-N 3.5Å; A84-A88 WeakPolarHBondContact O-CB 3.26Å; A84-A88 PolarHBondContact O-N 3.25Å; A84-I94 HydrophobicContact CB-CG2 4.13Å; A84-L96 HydrophobicContact CB-CD2 4Å; A84-I111 HydrophobicContact CB-CD1 4.01Å
85E96.6Very high94.6Very high57 Ų5728.6 Ų28.627%0.26616%0.158SC..Hα-helixtrans-58.8-44.8176.1-73.1171.5-175.900111.7K81 L87 A88 R89 I111K81-E85 WeakPolarHBondContact CE-OE1 3.43Å; K81-E85 PolarHBondContact O-N 3.32Å; E85-L87 PolarHBondContact O-N 2.82Å; E85-A88 WeakPolarHBondContact O-CB 3.48Å; E85-A88 PolarHBondContact O-N 3.27Å; E85-R89 WeakPolarHBondContact O-CB 3.41Å; E85-R89 PolarHBondContact O-N 2.78Å; E85-I111 HydrophobicContact CG-CD1 3.94Å; E85-I111 HydrophobicContact CG-CG1 3.68Å
86E96.6Very high95.1Very high15 Ų1528.5 Ų28.57%0.0716%0.157CC..Hα-helixtrans-71.2-30.8-179.3-179.966.3-161.300112.8A82 Y83 A84 R89 Q90 A270 I274A82-E86 WeakPolarHBondContact O-CB 3.2Å; A82-E86 PolarHBondContact O-N 3.47Å; Y83-E86 PolarHBondContact O-N 2.88Å; A84-E86 PolarHBondContact O-N 2.89Å; E86-R89 VanDerWaalsContact CD-NE 3.28Å; E86-R89 WeakPolarHBondContact O-CB 3.32Å; E86-R89 IonicContact OE1-CZ 3.3Å; E86-R89 VanDerWaalsContact OE1-CZ 3.3Å; E86-R89 IonicContact OE1-NE 3.15Å; E86-R89 PolarHBondContact OE1-NE 2.86Å; E86-R89 VanDerWaalsContact OE1-NE 3.15Å; E86-R89 IonicContact OE1-NH2 2.64Å; E86-R89 PolarHBondContact OE1-NH2 2.81Å; E86-R89 IonicContact OE2-CZ 3.76Å; E86-R89 IonicContact OE2-NE 2.86Å; E86-R89 PolarHBondContact OE2-NE 2.76Å; E86-R89 IonicContact OE2-NH2 3.79Å; E86-Q90 WeakPolarHBondContact O-CG 3.34Å; E86-A270 HydrophobicContact CB-CB 4.22Å; E86-I274 HydrophobicContact CB-CD1 3.51Å; E86-I274 HydrophobicContact CG-CB 4.23Å; E86-I274 HydrophobicContact CG-CD1 3.3Å; E86-I274 HydrophobicContact CG-CG1 4.3Å
87L97.3Very high95.4Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-68-42.8168.4-75.9177.7000111.7L62 A70 I72 Y83 A84 E85 R89 Q90 I92 I94 F147 V149 I274L62-L87 HydrophobicContact CD1-CD2 4.22Å; A70-L87 HydrophobicContact CB-CD1 3.74Å; I72-L87 HydrophobicContact CD1-CD1 4.01Å; Y83-L87 HydrophobicContact CD1-CD1 3.84Å; Y83-L87 HydrophobicContact CD1-CG 4.05Å; Y83-L87 HydrophobicContact CE1-CD1 3.8Å; Y83-L87 HydrophobicContact CE1-CD2 4.38Å; Y83-L87 HydrophobicContact CE1-CG 4Å; Y83-L87 WeakPolarHBondContact O-CG 3.46Å; Y83-L87 PolarHBondContact O-N 2.74Å; A84-L87 PolarHBondContact O-N 3.5Å; E85-L87 PolarHBondContact O-N 2.82Å; L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 2.8Å; L87-Q90 WeakPolarHBondContact O-CA 3.34Å; L87-Q90 WeakPolarHBondContact O-CB 3.44Å; L87-Q90 PolarHBondContact O-N 3.49Å; L87-I92 HydrophobicContact CB-CB 4.33Å; L87-I92 WeakPolarHBondContact O-CB 2.86Å; L87-I92 WeakPolarHBondContact O-CG1 3.3Å; L87-I92 PolarHBondContact O-N 3.33Å; L87-I94 HydrophobicContact CB-CD1 3.93Å; L87-F147 HydrophobicContact CD2-CD1 4.4Å; L87-F147 HydrophobicContact CD2-CE1 4.35Å; L87-V149 HydrophobicContact CD1-CG2 4.22Å; L87-I274 HydrophobicContact CD2-CD1 4.05Å; L87-I274 HydrophobicContact CD2-CG1 4.41Å; L87-I274 HydrophobicContact CG-CD1 3.9Å
88A97.6Very high95.4Very high1 Ų122.5 Ų22.51%0.00812%0.122CC..Hα-helixtrans-61-38.217600000111.9A84 E85 Q90 G91 I92 I94 I111 H115 V117A84-A88 WeakPolarHBondContact O-CB 3.26Å; A84-A88 PolarHBondContact O-N 3.25Å; E85-A88 WeakPolarHBondContact O-CB 3.48Å; E85-A88 PolarHBondContact O-N 3.27Å; A88-Q90 PolarHBondContact O-N 2.98Å; A88-Q90 VanDerWaalsContact O-N 3.12Å; A88-G91 WeakPolarHBondContact O-CA 3.49Å; A88-G91 PolarHBondContact O-N 3.29Å; A88-I92 WeakPolarHBondContact CA-O 3.32Å; A88-I94 HydrophobicContact CB-CD1 4.3Å; A88-I94 HydrophobicContact CB-CG1 3.9Å; A88-I111 HydrophobicContact CB-CG2 3.39Å; A88-H115 HydrophobicContact CB-CB 4.02Å; A88-V117 HydrophobicContact CB-CG2 3.8Å
89R95.6Very high94.9Very high122 Ų12224.2 Ų24.246%0.4612%0.124SC..THydrogen-bonded Turntrans-57.9-23.9172.2-162.9-17368.372.9-5.5113.2E85 E86 L87 G91E85-R89 WeakPolarHBondContact O-CB 3.41Å; E85-R89 PolarHBondContact O-N 2.78Å; E86-R89 VanDerWaalsContact CD-NE 3.28Å; E86-R89 WeakPolarHBondContact O-CB 3.32Å; E86-R89 IonicContact OE1-CZ 3.3Å; E86-R89 VanDerWaalsContact OE1-CZ 3.3Å; E86-R89 IonicContact OE1-NE 3.15Å; E86-R89 PolarHBondContact OE1-NE 2.86Å; E86-R89 VanDerWaalsContact OE1-NE 3.15Å; E86-R89 IonicContact OE1-NH2 2.64Å; E86-R89 PolarHBondContact OE1-NH2 2.81Å; E86-R89 IonicContact OE2-CZ 3.76Å; E86-R89 IonicContact OE2-NE 2.86Å; E86-R89 PolarHBondContact OE2-NE 2.76Å; E86-R89 IonicContact OE2-NH2 3.79Å; L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 2.8Å; R89-G91 VanDerWaalsContact C-N 3.33Å
90Q94.4Very high94.1Very high61 Ų6129 Ų2929%0.28515%0.146SC..THydrogen-bonded Turntrans-90.26.8175-60.8-69.2-3400113.2L62 E86 L87 A88 I92L62-Q90 HydrophobicContact CD1-CG 4.2Å; E86-Q90 WeakPolarHBondContact O-CG 3.34Å; L87-Q90 WeakPolarHBondContact O-CA 3.34Å; L87-Q90 WeakPolarHBondContact O-CB 3.44Å; L87-Q90 PolarHBondContact O-N 3.49Å; A88-Q90 PolarHBondContact O-N 2.98Å; A88-Q90 VanDerWaalsContact O-N 3.12Å; Q90-I92 HydrophobicContact CB-CG1 4.38Å
91G95.8Very high93Very high51 Ų5130 Ų3053%0.52616%0.156SC..THydrogen-bonded Turntrans80.422.4179.900000114.1A88 R89A88-G91 WeakPolarHBondContact O-CA 3.49Å; A88-G91 PolarHBondContact O-N 3.29Å; R89-G91 VanDerWaalsContact C-N 3.33Å
92I97.9Very high91.8Very high2 Ų230.4 Ų30.41%0.0117%0.174CC..  trans-91.8131.3177.9-52.6-55.6000109.2G63 E68 A70 L87 A88 Q90 I94 F147G63-I92 VanDerWaalsContact CA-CD1 3.41Å; E68-I92 WeakPolarHBondContact O-CG2 3.26Å; A70-I92 HydrophobicContact CB-CG2 3.68Å; L87-I92 HydrophobicContact CB-CB 4.33Å; L87-I92 WeakPolarHBondContact O-CB 2.86Å; L87-I92 WeakPolarHBondContact O-CG1 3.3Å; L87-I92 PolarHBondContact O-N 3.33Å; A88-I92 WeakPolarHBondContact CA-O 3.32Å; Q90-I92 HydrophobicContact CB-CG1 4.38Å; I92-I94 HydrophobicContact CG2-CD1 4.44Å; I92-I94 WeakPolarHBondContact O-CD1 3.49Å; I92-F147 HydrophobicContact CD1-CE2 3.92Å; I92-F147 HydrophobicContact CD1-CZ 4.37Å; I92-F147 HydrophobicContact CG1-CE2 4.11Å; I92-F147 HydrophobicContact CG2-CD2 3.9Å; I92-F147 HydrophobicContact CG2-CE2 3.89Å
93C98.1Very high90.8Very high20 Ų2033 Ų3314%0.13519%0.191CC..EExtended strand (participates in β ladder)trans-73.7143174.8-62.30000110.3E68 W69 A70 D118E68-C93 PolarHBondContact O-N 3.3Å; W69-C93 CarbonylContact C-O 3.55Å; W69-C93 WeakPolarHBondContact CA-O 3.48Å; W69-C93 HydrophobicContact CD2-CB 3.41Å; W69-C93 VanDerWaalsContact CD2-CB 3.41Å; W69-C93 HydrophobicContact CE3-CB 3.41Å; W69-C93 VanDerWaalsContact CE3-CB 3.41Å; W69-C93 HydrophobicContact CG-CB 4.03Å; W69-C93 HydrophobicContact CH2-CB 3.86Å; W69-C93 HydrophobicContact CZ2-CB 3.82Å; W69-C93 HydrophobicContact CZ3-CB 3.66Å; A70-C93 PolarHBondContact N-O 3.44Å; C93-D118 CarbonylContact C-O 3.58Å; C93-D118 WeakPolarHBondContact CA-O 3.18Å; C93-D118 HydrophobicContact CB-CB 4.19Å; C93-D118 WeakPolarHBondContact CB-O 3.32Å
94I98.2Very high90.3Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-117.1131.9-166.8-54.7-57000111.5A70 I72 A84 L87 A88 I92 L96 I111 D118 T119 M120A70-I94 HydrophobicContact CB-CD1 3.99Å; I72-I94 HydrophobicContact CG1-CG2 4.02Å; A84-I94 HydrophobicContact CB-CG2 4.13Å; L87-I94 HydrophobicContact CB-CD1 3.93Å; A88-I94 HydrophobicContact CB-CD1 4.3Å; A88-I94 HydrophobicContact CB-CG1 3.9Å; I92-I94 HydrophobicContact CG2-CD1 4.44Å; I92-I94 WeakPolarHBondContact O-CD1 3.49Å; I94-L96 HydrophobicContact CG2-CD2 3.32Å; I94-L96 HydrophobicContact CG2-CG 3.94Å; I94-I111 HydrophobicContact CG1-CG2 4.12Å; I94-D118 PolarHBondContact N-O 3.11Å; I94-T119 HydrophobicContact CB-CG2 4.28Å; I94-T119 CarbonylContact O-C 3.48Å; I94-T119 WeakPolarHBondContact O-CA 3.36Å; I94-M120 PolarHBondContact O-N 2.85Å
95I97.2Very high90Very high0 Ų035.9 Ų35.90%021%0.212CC..EExtended strand (participates in β ladder)trans-114.1111.1169.8-50.3-179.3000107.3W69 A70 V71 I72 I97 M120 L122 L140 K143 I145W69-I95 HydrophobicContact CD2-CD1 4.5Å; W69-I95 HydrophobicContact CE3-CD1 3.78Å; W69-I95 HydrophobicContact CE3-CG1 3.48Å; W69-I95 VanDerWaalsContact CE3-CG1 3.48Å; W69-I95 HydrophobicContact CZ3-CD1 4.28Å; W69-I95 HydrophobicContact CZ3-CG1 3.79Å; A70-I95 PolarHBondContact O-N 3.34Å; V71-I95 WeakPolarHBondContact CA-O 3.44Å; V71-I95 HydrophobicContact CG2-CB 4.3Å; V71-I95 HydrophobicContact CG2-CD1 4.19Å; I72-I95 PolarHBondContact N-O 3.08Å; I95-I97 HydrophobicContact CG2-CG1 4.36Å; I95-M120 CarbonylContact C-O 3.56Å; I95-M120 WeakPolarHBondContact CA-O 3.48Å; I95-M120 HydrophobicContact CG1-CB 4.34Å; I95-M120 HydrophobicContact CG2-CB 4.34Å; I95-M120 HydrophobicContact CG2-CG 4.42Å; I95-L122 HydrophobicContact CG2-CD1 3.56Å; I95-L122 HydrophobicContact CG2-CG 3.9Å; I95-L140 HydrophobicContact CD1-CD2 3.42Å; I95-L140 VanDerWaalsContact CD1-CD2 3.42Å; I95-K143 HydrophobicContact CD1-CD 3.59Å; I95-I145 HydrophobicContact CD1-CD1 3.93Å
96L95.9Very high89.8Confident0 Ų039.2 Ų39.20%023%0.231CC..EExtended strand (participates in β ladder)trans-91.9127.1176.5-55.5-175.7000109.1I72 A75 A84 I94 V104 T107 A108 M120 V121 L122I72-L96 HydrophobicContact CB-CD2 3.93Å; I72-L96 HydrophobicContact CG1-CD2 4.1Å; A75-L96 HydrophobicContact CB-CB 4.15Å; A75-L96 HydrophobicContact CB-CD1 4.39Å; A75-L96 HydrophobicContact CB-CD2 3.69Å; A75-L96 HydrophobicContact CB-CG 4.29Å; A84-L96 HydrophobicContact CB-CD2 4Å; I94-L96 HydrophobicContact CG2-CD2 3.32Å; I94-L96 HydrophobicContact CG2-CG 3.94Å; L96-V104 HydrophobicContact CB-CB 4.33Å; L96-V104 HydrophobicContact CB-CG2 4.11Å; L96-V104 HydrophobicContact CD1-CB 4.05Å; L96-T107 HydrophobicContact CD1-CG2 4.09Å; L96-A108 HydrophobicContact CD1-CB 3.89Å; L96-M120 PolarHBondContact N-O 3.45Å; L96-V121 WeakPolarHBondContact O-CA 3.34Å; L96-L122 PolarHBondContact O-N 3.21Å
97I92.4Very high89.6Confident0 Ų039.1 Ų39.10%023%0.232CC..EExtended strand (participates in β ladder)trans-114.9122.3175.8-51-170.4000109V71 I72 Y73 G74 I95 L122 A124 F126 V136 M184V71-I97 HydrophobicContact CG1-CD1 3.45Å; V71-I97 VanDerWaalsContact CG1-CD1 3.45Å; V71-I97 HydrophobicContact CG1-CG1 3.98Å; I72-I97 PolarHBondContact O-N 3.41Å; Y73-I97 HydrophobicContact CD2-CB 4.21Å; Y73-I97 HydrophobicContact CD2-CG2 4.01Å; G74-I97 PolarHBondContact N-O 2.86Å; I95-I97 HydrophobicContact CG2-CG1 4.36Å; I97-L122 WeakPolarHBondContact CA-O 3.39Å; I97-L122 HydrophobicContact CD1-CD1 4.33Å; I97-L122 HydrophobicContact CG1-CB 4.21Å; I97-L122 HydrophobicContact CG1-CD1 4.4Å; I97-A124 HydrophobicContact CG2-CB 3.67Å; I97-F126 HydrophobicContact CG2-CE2 4.47Å; I97-V136 HydrophobicContact CD1-CG1 3.72Å; I97-V136 HydrophobicContact CD1-CG2 4.22Å; I97-M184 HydrophobicContact CD1-CE 3.52Å; I97-M184 HydrophobicContact CD1-SD 4.04Å
98S87.4Confident89.5Confident5 Ų539.3 Ų39.34%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-137.6162.7175.463.60000111E100 V104 L122 V123 A124S98-E100 VanDerWaalsContact C-N 3.29Å; S98-E100 VanDerWaalsContact OG-C 3.29Å; S98-E100 PolarHBondContact OG-O 3.38Å; S98-V104 WeakPolarHBondContact OG-CG2 3.36Å; S98-L122 PolarHBondContact N-O 3.4Å; S98-V123 WeakPolarHBondContact O-CA 3.24Å; S98-A124 PolarHBondContact O-N 2.91Å
99Q81.3Confident89.4Confident66 Ų6645.1 Ų45.131%0.30826%0.259SS..SBendtrans-71.2-29.5171.9-171.5176.90.700111.5V123 D125Q99-V123 WeakPolarHBondContact O-CG1 3.44Å; Q99-D125 HydrophobicContact CG-CB 4Å; Q99-D125 VanDerWaalsContact NE2-CG 3.32Å; Q99-D125 PolarHBondContact NE2-OD1 3.27Å; Q99-D125 PolarHBondContact NE2-OD2 3.38Å
100E76.4Confident89.4Confident130 Ų13041.4 Ų41.461%0.60725%0.254SS*.SBendtrans-120.7112.9179.2-68176.5-165.500109.7S98 A102 S103S98-E100 VanDerWaalsContact C-N 3.29Å; S98-E100 VanDerWaalsContact OG-C 3.29Å; S98-E100 PolarHBondContact OG-O 3.38Å; E100-A102 VanDerWaalsContact C-N 3.27Å; E100-A102 PolarHBondContact O-N 2.65Å; E100-S103 PolarHBondContact O-N 3.31Å; E100-S103 PolarHBondContact O-OG 2.8Å
101G70.7Confident89.5Confident19 Ų1938.5 Ų38.520%0.19624%0.24CC..THydrogen-bonded Turntrans-63.1-31.8-174.900000114S103 V104 S105 V123G101-S103 VanDerWaalsContact C-N 3.26Å; G101-S103 PolarHBondContact O-N 2.86Å; G101-V104 PolarHBondContact O-N 2.88Å; G101-S105 PolarHBondContact O-N 2.82Å; G101-V123 VanDerWaalsContact CA-CG2 3.47Å
102A67.9Low89.6Confident87 Ų8738 Ų3872%0.71923%0.228SC*.Hα-helixtrans-63.5-31.9178.800000112.4E100 V104E100-A102 VanDerWaalsContact C-N 3.27Å; E100-A102 PolarHBondContact O-N 2.65Å; A102-V104 PolarHBondContact O-N 3.19Å
103S75.4Confident89.5Confident56 Ų5644 Ų4439%0.39226%0.257SS..Hα-helixtrans-67.7-22.7-173.776.80000113.5S76 E100 G101S76-S103 PolarHBondContact OG-OG 3.21Å; S76-S103 VanDerWaalsContact OG-OG 3.09Å; E100-S103 PolarHBondContact O-N 3.31Å; E100-S103 PolarHBondContact O-OG 2.8Å; G101-S103 VanDerWaalsContact C-N 3.26Å; G101-S103 PolarHBondContact O-N 2.86Å
104V86.9Confident89.5Confident0 Ų047.8 Ų47.80%028%0.279CS..Hα-helixtrans-119.6-5.2-175.6-60.90000114A75 L96 S98 G101 A102 D106 T107 A108 V121A75-V104 HydrophobicContact CB-CG1 4.04Å; L96-V104 HydrophobicContact CB-CB 4.33Å; L96-V104 HydrophobicContact CB-CG2 4.11Å; L96-V104 HydrophobicContact CD1-CB 4.05Å; S98-V104 WeakPolarHBondContact OG-CG2 3.36Å; G101-V104 PolarHBondContact O-N 2.88Å; A102-V104 PolarHBondContact O-N 3.19Å; V104-D106 PolarHBondContact O-N 2.86Å; V104-T107 WeakPolarHBondContact O-CB 3.44Å; V104-T107 PolarHBondContact O-N 3.14Å; V104-A108 PolarHBondContact O-N 2.78Å; V104-V121 HydrophobicContact CG2-CG1 3.58Å; V104-V121 HydrophobicContact CG2-CG2 4.23Å
105S91.1Very high89.4Confident61 Ų6150.4 Ų50.443%0.42729%0.291SS..Hα-helixtrans-60.2-46-178.8-177.30000112.8G101 T107 A108 K109G101-S105 PolarHBondContact O-N 2.82Å; S105-T107 VanDerWaalsContact C-N 3.27Å; S105-T107 PolarHBondContact O-N 3.36Å; S105-A108 PolarHBondContact O-N 3.36Å; S105-K109 PolarHBondContact O-N 3.46Å
106D91.4Very high89.4Confident127 Ų12761.5 Ų61.568%0.67933%0.333SS*.Hα-helixtrans-64.6-35.9178.5-67.3-19.2000111.7V104 K109 A110V104-D106 PolarHBondContact O-N 2.86Å; D106-K109 PolarHBondContact O-N 2.87Å; D106-A110 VanDerWaalsContact O-CB 3.32Å; D106-A110 WeakPolarHBondContact O-CB 3.44Å; D106-A110 PolarHBondContact O-N 3.39Å
107T92.2Very high89.5Confident13 Ų1362.1 Ų62.18%0.0834%0.337CS..Hα-helixtrans-67-44.6176.2-64.20000111K81 L96 V104 S105 K109 A110 I111K81-T107 HydrophobicContact CD-CG2 3.83Å; K81-T107 HydrophobicContact CG-CG2 3.76Å; K81-T107 PolarHBondContact NZ-OG1 3.19Å; L96-T107 HydrophobicContact CD1-CG2 4.09Å; V104-T107 WeakPolarHBondContact O-CB 3.44Å; V104-T107 PolarHBondContact O-N 3.14Å; S105-T107 VanDerWaalsContact C-N 3.27Å; S105-T107 PolarHBondContact O-N 3.36Å; T107-K109 PolarHBondContact O-N 3.33Å; T107-A110 PolarHBondContact O-N 2.89Å; T107-I111 HydrophobicContact CG2-CD1 3.84Å; T107-I111 HydrophobicContact CG2-CG1 4.47Å; T107-I111 WeakPolarHBondContact O-CB 3.39Å; T107-I111 VanDerWaalsContact O-CG1 3.26Å; T107-I111 WeakPolarHBondContact O-CG1 3.33Å; T107-I111 PolarHBondContact O-N 2.98Å
108A95.4Very high89.7Confident4 Ų467 Ų673%0.03336%0.363CS..Hα-helixtrans-58.8-47.4175.200000111.4L96 V104 S105 A110 I111 S112 T119 V121L96-A108 HydrophobicContact CD1-CB 3.89Å; V104-A108 PolarHBondContact O-N 2.78Å; S105-A108 PolarHBondContact O-N 3.36Å; A108-A110 PolarHBondContact O-N 3.1Å; A108-I111 PolarHBondContact O-N 3.13Å; A108-S112 PolarHBondContact O-N 2.9Å; A108-T119 WeakPolarHBondContact O-CG2 3.45Å; A108-T119 PolarHBondContact O-OG1 3.41Å; A108-V121 HydrophobicContact CB-CG2 3.5Å
109K95.9Very high90.2Very high124 Ų12468.7 Ų68.754%0.53937%0.373SS..Hα-helixtrans-60.4-48.5178.2-173.9175.8175-178.60112S105 D106 T107 I111 S112 E113S105-K109 PolarHBondContact O-N 3.46Å; D106-K109 PolarHBondContact O-N 2.87Å; T107-K109 PolarHBondContact O-N 3.33Å; K109-I111 VanDerWaalsContact C-N 3.32Å; K109-I111 PolarHBondContact O-N 3.47Å; K109-S112 PolarHBondContact O-N 3.11Å; K109-E113 WeakPolarHBondContact CE-OE1 3.46Å; K109-E113 HydrophobicContact CG-CG 4.43Å; K109-E113 WeakPolarHBondContact CG-OE1 3.3Å; K109-E113 IonicContact NZ-OE1 2.63Å; K109-E113 WeakPolarHBondContact O-CB 3.31Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 3.12Å
110A95.1Very high90.9Very high43 Ų4368.6 Ų68.636%0.35537%0.374SS..Hα-helixtrans-59.7-41.7177.800000112.3D106 T107 A108 T114D106-A110 VanDerWaalsContact O-CB 3.32Å; D106-A110 WeakPolarHBondContact O-CB 3.44Å; D106-A110 PolarHBondContact O-N 3.39Å; T107-A110 PolarHBondContact O-N 2.89Å; A108-A110 PolarHBondContact O-N 3.1Å; A110-T114 WeakPolarHBondContact O-CB 3.43Å; A110-T114 PolarHBondContact O-N 3.05Å; A110-T114 PolarHBondContact O-OG1 3.43Å
111I96.7Very high91.8Very high1 Ų164.7 Ų64.71%0.00536%0.358CS..Hα-helixtrans-61.1-48.9175.6-74.4169.8000110.9A84 E85 A88 I94 T107 A108 K109 H115 V117 T119A84-I111 HydrophobicContact CB-CD1 4.01Å; E85-I111 HydrophobicContact CG-CD1 3.94Å; E85-I111 HydrophobicContact CG-CG1 3.68Å; A88-I111 HydrophobicContact CB-CG2 3.39Å; I94-I111 HydrophobicContact CG1-CG2 4.12Å; T107-I111 HydrophobicContact CG2-CD1 3.84Å; T107-I111 HydrophobicContact CG2-CG1 4.47Å; T107-I111 WeakPolarHBondContact O-CB 3.39Å; T107-I111 VanDerWaalsContact O-CG1 3.26Å; T107-I111 WeakPolarHBondContact O-CG1 3.33Å; T107-I111 PolarHBondContact O-N 2.98Å; A108-I111 PolarHBondContact O-N 3.13Å; K109-I111 VanDerWaalsContact C-N 3.32Å; K109-I111 PolarHBondContact O-N 3.47Å; I111-H115 WeakPolarHBondContact O-CB 3.4Å; I111-H115 PolarHBondContact O-N 3.3Å; I111-V117 HydrophobicContact CG2-CG2 4.01Å; I111-T119 HydrophobicContact CB-CG2 4.11Å; I111-T119 HydrophobicContact CG2-CG2 3.69Å
112S97.3Very high92.8Very high39 Ų3965 Ų6527%0.27336%0.355SS..Hα-helixtrans-62.8-46.2-178.2-168.10000111.6A108 K109 R116 V117A108-S112 PolarHBondContact O-N 2.9Å; K109-S112 PolarHBondContact O-N 3.11Å; S112-R116 WeakPolarHBondContact O-CA 3.45Å; S112-R116 PolarHBondContact O-N 3.14Å; S112-V117 WeakPolarHBondContact CA-O 3.41Å; S112-V117 WeakPolarHBondContact CB-O 3.48Å; S112-V117 PolarHBondContact OG-O 2.98Å
113E96.9Very high93.8Very high130 Ų13065 Ų6561%0.60735%0.346SS*.Hα-helixtrans-65.8-43.1-179.2-71.3174.8174.800112.1K109K109-E113 WeakPolarHBondContact CE-OE1 3.46Å; K109-E113 HydrophobicContact CG-CG 4.43Å; K109-E113 WeakPolarHBondContact CG-OE1 3.3Å; K109-E113 IonicContact NZ-OE1 2.63Å; K109-E113 WeakPolarHBondContact O-CB 3.31Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 3.12Å
114T97.2Very high94.4Very high99 Ų9962.6 Ų62.661%0.60733%0.33SS*.Hα-helixtrans-74-42.5-175.8-560000112.1A110A110-T114 WeakPolarHBondContact O-CB 3.43Å; A110-T114 PolarHBondContact O-N 3.05Å; A110-T114 PolarHBondContact O-OG1 3.43Å
115H96.9Very high94.2Very high55 Ų5564.9 Ų64.926%0.25534%0.342SS..Hα-helixtrans-104.2-6.9-171.9-60.7-58.5000114.2A88 I111 V117A88-H115 HydrophobicContact CB-CB 4.02Å; I111-H115 WeakPolarHBondContact O-CB 3.4Å; I111-H115 PolarHBondContact O-N 3.3Å; H115-V117 VanDerWaalsContact C-N 3.3Å; H115-V117 HydrophobicContact CB-CG1 4.41Å; H115-V117 HydrophobicContact CB-CG2 4.3Å; H115-V117 PolarHBondContact O-N 2.84Å
116R97.1Very high93.6Very high233 Ų23362.1 Ų62.188%0.87932%0.322SS*.  trans56.543.7-179-54.3179.9-179.6172.6-0.8112.5S112S112-R116 WeakPolarHBondContact O-CA 3.45Å; S112-R116 PolarHBondContact O-N 3.14Å
117V97.4Very high92.9Very high12 Ų1258.2 Ų58.27%0.07331%0.305CS..  trans-116.7156.6174.9-60.20000110.3A88 I111 S112 H115 T119A88-V117 HydrophobicContact CB-CG2 3.8Å; I111-V117 HydrophobicContact CG2-CG2 4.01Å; S112-V117 WeakPolarHBondContact CA-O 3.41Å; S112-V117 WeakPolarHBondContact CB-O 3.48Å; S112-V117 PolarHBondContact OG-O 2.98Å; H115-V117 VanDerWaalsContact C-N 3.3Å; H115-V117 HydrophobicContact CB-CG1 4.41Å; H115-V117 HydrophobicContact CB-CG2 4.3Å; H115-V117 PolarHBondContact O-N 2.84Å; V117-T119 HydrophobicContact CG2-CG2 4.41Å
118D97.6Very high92.1Very high103 Ų10363.9 Ų63.955%0.55133%0.33SS*.  trans-71.8138.7174-64.1-36.8000110.4W69 C93 I94W69-D118 HydrophobicContact CH2-CB 3.55Å; W69-D118 HydrophobicContact CZ2-CB 4Å; W69-D118 HydrophobicContact CZ3-CB 4.34Å; C93-D118 CarbonylContact C-O 3.58Å; C93-D118 WeakPolarHBondContact CA-O 3.18Å; C93-D118 HydrophobicContact CB-CB 4.19Å; C93-D118 WeakPolarHBondContact CB-O 3.32Å; I94-D118 PolarHBondContact N-O 3.11Å
119T97.3Very high91Very high41 Ų4164.8 Ų64.825%0.25234%0.34SS..EExtended strand (participates in β ladder)trans-128.2143174.163.90000111.5I94 A108 I111 V117I94-T119 HydrophobicContact CB-CG2 4.28Å; I94-T119 CarbonylContact O-C 3.48Å; I94-T119 WeakPolarHBondContact O-CA 3.36Å; A108-T119 WeakPolarHBondContact O-CG2 3.45Å; A108-T119 PolarHBondContact O-OG1 3.41Å; I111-T119 HydrophobicContact CB-CG2 4.11Å; I111-T119 HydrophobicContact CG2-CG2 3.69Å; V117-T119 HydrophobicContact CG2-CG2 4.41Å
120M95.5Very high90Very high64 Ų6466.1 Ų66.132%0.31535%0.348SS..EExtended strand (participates in β ladder)trans-131.3140.9175.2178.7174.6-8400109.5I94 I95 L96 L122 A139I94-M120 PolarHBondContact O-N 2.85Å; I95-M120 CarbonylContact C-O 3.56Å; I95-M120 WeakPolarHBondContact CA-O 3.48Å; I95-M120 HydrophobicContact CG1-CB 4.34Å; I95-M120 HydrophobicContact CG2-CB 4.34Å; I95-M120 HydrophobicContact CG2-CG 4.42Å; L96-M120 PolarHBondContact N-O 3.45Å; M120-L122 HydrophobicContact CG-CD2 4.05Å; M120-L122 HydrophobicContact CG-CG 4.24Å; M120-L122 HydrophobicContact SD-CD2 3.95Å; M120-L122 HydrophobicContact SD-CG 4.37Å; M120-A139 HydrophobicContact SD-CB 4.25Å
121V95.1Very high89.2Confident47 Ų4767.5 Ų67.529%0.28536%0.359SS..EExtended strand (participates in β ladder)trans-111128.6173.1176.60000108.4L96 V104 A108L96-V121 WeakPolarHBondContact O-CA 3.34Å; V104-V121 HydrophobicContact CG2-CG1 3.58Å; V104-V121 HydrophobicContact CG2-CG2 4.23Å; A108-V121 HydrophobicContact CB-CG2 3.5Å
122L92.8Very high88.4Confident26 Ų2668 Ų6814%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-120.4136.8174.6-58.6175.8000109.5I95 L96 I97 S98 M120 A139I95-L122 HydrophobicContact CG2-CD1 3.56Å; I95-L122 HydrophobicContact CG2-CG 3.9Å; L96-L122 PolarHBondContact O-N 3.21Å; I97-L122 WeakPolarHBondContact CA-O 3.39Å; I97-L122 HydrophobicContact CD1-CD1 4.33Å; I97-L122 HydrophobicContact CG1-CB 4.21Å; I97-L122 HydrophobicContact CG1-CD1 4.4Å; S98-L122 PolarHBondContact N-O 3.4Å; M120-L122 HydrophobicContact CG-CD2 4.05Å; M120-L122 HydrophobicContact CG-CG 4.24Å; M120-L122 HydrophobicContact SD-CD2 3.95Å; M120-L122 HydrophobicContact SD-CG 4.37Å; L122-A139 HydrophobicContact CD1-CB 3.62Å; L122-A139 HydrophobicContact CD2-CB 3.67Å; L122-A139 HydrophobicContact CG-CB 4.31Å
123V89Confident87.8Confident88 Ų8867.2 Ų67.253%0.53336%0.358SS..EExtended strand (participates in β ladder)trans-97.5119.3174-174.80000108.3S98 Q99 G101S98-V123 WeakPolarHBondContact O-CA 3.24Å; Q99-V123 WeakPolarHBondContact O-CG1 3.44Å; G101-V123 VanDerWaalsContact CA-CG2 3.47Å
124A86.9Confident87.4Confident5 Ų568.1 Ų68.14%0.04136%0.36CS..  trans-142.4118.717800000110.7I97 S98 F126 A132 V136I97-A124 HydrophobicContact CG2-CB 3.67Å; S98-A124 PolarHBondContact O-N 2.91Å; A124-F126 HydrophobicContact CB-CD2 4.48Å; A124-F126 HydrophobicContact CB-CE2 3.82Å; A124-F126 HydrophobicContact CB-CZ 4.14Å; A124-A132 HydrophobicContact CB-CB 4.5Å; A124-V136 HydrophobicContact CB-CG2 3.68Å
125D83.3Confident87Confident48 Ų4867.1 Ų67.126%0.25736%0.355SS..  trans-102.1100.9176-171.9-9.1000111Q99 S127 Q128 A132Q99-D125 HydrophobicContact CG-CB 4Å; Q99-D125 VanDerWaalsContact NE2-CG 3.32Å; Q99-D125 PolarHBondContact NE2-OD1 3.27Å; Q99-D125 PolarHBondContact NE2-OD2 3.38Å; D125-S127 PolarHBondContact O-N 2.99Å; D125-S127 WeakPolarHBondContact OD1-CB 3.37Å; D125-S127 PolarHBondContact OD1-N 2.97Å; D125-S127 PolarHBondContact OD1-OG 2.92Å; D125-S127 PolarHBondContact OD2-OG 3.21Å; D125-S127 VanDerWaalsContact OD2-OG 3.07Å; D125-Q128 HydrophobicContact CB-CG 4.37Å; D125-Q128 WeakPolarHBondContact O-CB 3.48Å; D125-Q128 PolarHBondContact O-N 3.37Å; D125-A132 VanDerWaalsContact O-CB 3.27Å; D125-A132 WeakPolarHBondContact O-CB 3.27Å
126F79.5Confident86.7Confident3 Ų364.6 Ų64.61%0.01334%0.343CS..G310 helixtrans-74.4-4.9-179.5-69-81000114.1Y73 I97 A124 Q128 G129 A132 A180 L183 M184Y73-F126 HydrophobicContact CD2-CD2 4.34Å; Y73-F126 AromaticContact CD2-CE2 3.92Å; Y73-F126 HydrophobicContact CD2-CE2 3.92Å; Y73-F126 AromaticContact CE2-CD2 3.57Å; Y73-F126 HydrophobicContact CE2-CD2 3.57Å; Y73-F126 AromaticContact CE2-CE2 3.59Å; Y73-F126 HydrophobicContact CE2-CE2 3.59Å; I97-F126 HydrophobicContact CG2-CE2 4.47Å; A124-F126 HydrophobicContact CB-CD2 4.48Å; A124-F126 HydrophobicContact CB-CE2 3.82Å; A124-F126 HydrophobicContact CB-CZ 4.14Å; F126-Q128 PolarHBondContact O-N 3.47Å; F126-G129 PolarHBondContact O-N 3.06Å; F126-G129 VanDerWaalsContact O-N 3.14Å; F126-A132 HydrophobicContact CD1-CB 4.05Å; F126-A132 HydrophobicContact CE1-CB 4.18Å; F126-A132 HydrophobicContact CG-CB 4.43Å; F126-A180 HydrophobicContact CB-CB 3.73Å; F126-A180 HydrophobicContact CD1-CB 4.19Å; F126-A180 HydrophobicContact CD2-CB 3.52Å; F126-A180 HydrophobicContact CE2-CB 4.19Å; F126-A180 HydrophobicContact CG-CB 3.52Å; F126-L183 HydrophobicContact CD1-CB 4.32Å; F126-L183 HydrophobicContact CD1-CD1 3.99Å; F126-L183 HydrophobicContact CE1-CB 4.17Å; F126-M184 HydrophobicContact CE1-CG 4.35Å; F126-M184 HydrophobicContact CE1-SD 4.27Å; F126-M184 HydrophobicContact CE2-CG 4.21Å; F126-M184 HydrophobicContact CE2-SD 4.17Å; F126-M184 HydrophobicContact CZ-CG 3.75Å; F126-M184 HydrophobicContact CZ-SD 3.45Å; F126-M184 WeakPolarHBondContact CZ-SD 3.45Å
127S76Confident86.5Confident44 Ų4459.8 Ų59.831%0.30833%0.329SS..G310 helixtrans-63.5-26.3166.471.60000111.9D125 G129D125-S127 PolarHBondContact O-N 2.99Å; D125-S127 WeakPolarHBondContact OD1-CB 3.37Å; D125-S127 PolarHBondContact OD1-N 2.97Å; D125-S127 PolarHBondContact OD1-OG 2.92Å; D125-S127 PolarHBondContact OD2-OG 3.21Å; D125-S127 VanDerWaalsContact OD2-OG 3.07Å; S127-G129 PolarHBondContact O-N 3.42Å
128Q74.3Confident86.2Confident132 Ų13263.5 Ų63.562%0.61735%0.348SS*.G310 helixtrans-81.99.1176.2-53.7-58-46.400112.9D125 F126D125-Q128 HydrophobicContact CB-CG 4.37Å; D125-Q128 WeakPolarHBondContact O-CB 3.48Å; D125-Q128 PolarHBondContact O-N 3.37Å; F126-Q128 PolarHBondContact O-N 3.47Å
129G73.3Confident85.9Confident24 Ų2459.8 Ų59.825%0.24733%0.332CS..G310 helixtrans63.6-133.117800000113.5F126 S127 A131 A132F126-G129 PolarHBondContact O-N 3.06Å; F126-G129 VanDerWaalsContact O-N 3.14Å; S127-G129 PolarHBondContact O-N 3.42Å; G129-A131 PolarHBondContact O-N 3.48Å; G129-A132 PolarHBondContact O-N 3.06Å
130H74.6Confident85.8Confident152 Ų15258.4 Ų58.470%0.70432%0.323SS*.G310 helixtrans-69.4-20-169.5-65.462.6000113.2A132 C133H130-A132 PolarHBondContact O-N 3.3Å; H130-C133 VanDerWaalsContact O-CB 3.29Å; H130-C133 WeakPolarHBondContact O-CB 3.41Å; H130-C133 PolarHBondContact O-N 3.03Å
131A78.1Confident85.5Confident71 Ų7162.2 Ų62.259%0.58734%0.34SS*.G310 helixtrans-61.1-33.7-18000000112.2G129 C133 K134 P135G129-A131 PolarHBondContact O-N 3.48Å; A131-C133 PolarHBondContact O-N 3.37Å; A131-K134 PolarHBondContact O-N 3.48Å; A131-P135 WeakPolarHBondContact O-CD 3.36Å
132A80.3Confident85.3Confident11 Ų1167.2 Ų67.29%0.09137%0.365CS..G310 helixtrans-66.7-18.8177.300000113.7A124 D125 F126 G129 H130 V136A124-A132 HydrophobicContact CB-CB 4.5Å; D125-A132 VanDerWaalsContact O-CB 3.27Å; D125-A132 WeakPolarHBondContact O-CB 3.27Å; F126-A132 HydrophobicContact CD1-CB 4.05Å; F126-A132 HydrophobicContact CE1-CB 4.18Å; F126-A132 HydrophobicContact CG-CB 4.43Å; G129-A132 PolarHBondContact O-N 3.06Å; H130-A132 PolarHBondContact O-N 3.3Å; A132-V136 WeakPolarHBondContact O-CG2 3.48Å
133C84.9Confident85.4Confident24 Ų2468.3 Ų68.316%0.16237%0.369CS..Hα-helixtrans-74.6-29.2-178-63.80000112.9H130 A131 K137 L187H130-C133 VanDerWaalsContact O-CB 3.29Å; H130-C133 WeakPolarHBondContact O-CB 3.41Å; H130-C133 PolarHBondContact O-N 3.03Å; A131-C133 PolarHBondContact O-N 3.37Å; C133-K137 VanDerWaalsContact O-CB 3.27Å; C133-K137 WeakPolarHBondContact O-CB 3.33Å; C133-K137 PolarHBondContact O-N 3.21Å; C133-L187 HydrophobicContact CB-CD1 4.14Å; C133-L187 WeakPolarHBondContact O-CD1 3.49Å
134K87.9Confident85.8Confident148 Ų14865.7 Ų65.764%0.64335%0.352SS*.Hα-helixtrans-66.8-52.9-173-178-178.2-179.8-174.90112.4A131 V136 K137 D138A131-K134 PolarHBondContact O-N 3.48Å; K134-V136 VanDerWaalsContact C-N 3.26Å; K134-V136 PolarHBondContact O-N 3.39Å; K134-K137 PolarHBondContact O-N 2.85Å; K134-K137 VanDerWaalsContact O-N 3.15Å; K134-D138 VanDerWaalsContact O-CG 3.26Å; K134-D138 PolarHBondContact O-N 3.05Å
135P88.7Confident86.3Confident79 Ų7965.8 Ų65.851%0.51335%0.352SS..Hα-helixtrans-60.6-37.6178.5-21.533.4000112.5A131 A139A131-P135 WeakPolarHBondContact O-CD 3.36Å; P135-A139 WeakPolarHBondContact O-CB 3.24Å; P135-A139 PolarHBondContact O-N 2.8Å; P135-A139 VanDerWaalsContact O-N 3.14Å
136V91.5Very high87Confident1 Ų163.5 Ų63.51%0.00634%0.339CS..Hα-helixtrans-63-50.6175.7178.60000109.9I97 A124 A132 K134 D138 A139 L140 M184 L187I97-V136 HydrophobicContact CD1-CG1 3.72Å; I97-V136 HydrophobicContact CD1-CG2 4.22Å; A124-V136 HydrophobicContact CB-CG2 3.68Å; A132-V136 WeakPolarHBondContact O-CG2 3.48Å; K134-V136 VanDerWaalsContact C-N 3.26Å; K134-V136 PolarHBondContact O-N 3.39Å; V136-D138 VanDerWaalsContact C-N 3.32Å; V136-D138 PolarHBondContact O-N 3.27Å; V136-A139 PolarHBondContact O-N 2.95Å; V136-A139 VanDerWaalsContact O-N 3.15Å; V136-L140 HydrophobicContact CG1-CD1 4.25Å; V136-L140 HydrophobicContact CG1-CG 4.32Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.35Å; V136-L140 PolarHBondContact O-N 3.24Å; V136-L140 VanDerWaalsContact O-N 3.14Å; V136-M184 HydrophobicContact CG1-CE 4.07Å; V136-M184 HydrophobicContact CG1-SD 4.04Å; V136-L187 HydrophobicContact CB-CD1 4.04Å; V136-L187 HydrophobicContact CG1-CD1 3.9Å; V136-L187 HydrophobicContact CG1-CD2 4.16Å
137K91.7Very high87.9Confident133 Ų13363.3 Ų63.358%0.57834%0.339SS*.Hα-helixtrans-56.6-46.7-179.5-175.1-177.1176.7-173.10111.9C133 K134 A139 L140 Q141 L187C133-K137 VanDerWaalsContact O-CB 3.27Å; C133-K137 WeakPolarHBondContact O-CB 3.33Å; C133-K137 PolarHBondContact O-N 3.21Å; K134-K137 PolarHBondContact O-N 2.85Å; K134-K137 VanDerWaalsContact O-N 3.15Å; K137-A139 VanDerWaalsContact C-N 3.29Å; K137-A139 PolarHBondContact O-N 2.62Å; K137-L140 PolarHBondContact O-N 3Å; K137-L140 VanDerWaalsContact O-N 3.13Å; K137-Q141 PolarHBondContact O-N 2.93Å; K137-L187 HydrophobicContact CB-CD1 3.97Å; K137-L187 HydrophobicContact CB-CG 4.28Å
138D92.1Very high89Confident89 Ų8961.2 Ų61.248%0.47632%0.324SS..Hα-helixtrans-62-39.5-179.1-62.7-14.3000110.7K134 V136 L140 Q141K134-D138 VanDerWaalsContact O-CG 3.26Å; K134-D138 PolarHBondContact O-N 3.05Å; V136-D138 VanDerWaalsContact C-N 3.32Å; V136-D138 PolarHBondContact O-N 3.27Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 3.29Å; D138-Q141 PolarHBondContact O-N 3.42Å
139A92.3Very high90.1Very high25 Ų2555 Ų5521%0.20730%0.295CS..Hα-helixtrans-69.7-22.4176.800000114.5M120 L122 P135 V136 K137 K143M120-A139 HydrophobicContact SD-CB 4.25Å; L122-A139 HydrophobicContact CD1-CB 3.62Å; L122-A139 HydrophobicContact CD2-CB 3.67Å; L122-A139 HydrophobicContact CG-CB 4.31Å; P135-A139 WeakPolarHBondContact O-CB 3.24Å; P135-A139 PolarHBondContact O-N 2.8Å; P135-A139 VanDerWaalsContact O-N 3.14Å; V136-A139 PolarHBondContact O-N 2.95Å; V136-A139 VanDerWaalsContact O-N 3.15Å; K137-A139 VanDerWaalsContact C-N 3.29Å; K137-A139 PolarHBondContact O-N 2.62Å; A139-K143 WeakPolarHBondContact O-CE 3.46Å
140L94.6Very high91.2Very high13 Ų1353.8 Ų53.87%0.06828%0.283CS..Hα-helixtrans-91.7-13.1-179.7-59.1-165.2000113.9V71 I95 V136 K137 D138 D142 K143 I145 L187 V188V71-L140 HydrophobicContact CG2-CD1 3.98Å; V71-L140 HydrophobicContact CG2-CD2 3.76Å; I95-L140 HydrophobicContact CD1-CD2 3.42Å; I95-L140 VanDerWaalsContact CD1-CD2 3.42Å; V136-L140 HydrophobicContact CG1-CD1 4.25Å; V136-L140 HydrophobicContact CG1-CG 4.32Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.35Å; V136-L140 PolarHBondContact O-N 3.24Å; V136-L140 VanDerWaalsContact O-N 3.14Å; K137-L140 PolarHBondContact O-N 3Å; K137-L140 VanDerWaalsContact O-N 3.13Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 3.29Å; L140-D142 VanDerWaalsContact C-N 3.33Å; L140-D142 PolarHBondContact O-N 3.23Å; L140-K143 PolarHBondContact O-N 3.25Å; L140-K143 VanDerWaalsContact O-N 3.14Å; L140-I145 HydrophobicContact CB-CD1 4.36Å; L140-I145 HydrophobicContact CB-CG1 4.07Å; L140-I145 HydrophobicContact CD1-CG1 4.2Å; L140-I145 HydrophobicContact CD2-CD1 3.89Å; L140-I145 HydrophobicContact CD2-CG1 4.34Å; L140-I145 HydrophobicContact CG-CD1 4.47Å; L140-I145 HydrophobicContact CG-CG1 4.42Å; L140-L187 HydrophobicContact CD1-CD2 3.35Å; L140-L187 HydrophobicContact CG-CD2 4.26Å; L140-V188 HydrophobicContact CD1-CG1 3.8Å
141Q89.7Confident92Very high143 Ų14346.9 Ų46.967%0.66825%0.252SS*.THydrogen-bonded Turntrans-57-40-164.6-176.2171.9-28.200114.3K137 D138K137-Q141 PolarHBondContact O-N 2.93Å; D138-Q141 PolarHBondContact O-N 3.42Å
142D90Very high92.2Very high152 Ų15244.1 Ų44.181%0.81323%0.227SC*.THydrogen-bonded Turntrans-101.517.1-175.5-58.4-44.3000113.3L140L140-D142 VanDerWaalsContact C-N 3.33Å; L140-D142 PolarHBondContact O-N 3.23Å
143K95.6Very high92.1Very high49 Ų4944.4 Ų44.421%0.21323%0.227CC..SBendtrans-115.1137.7-174.3-61.5-177.1-175.6-61.80110.8W69 I95 A139 L140 I145W69-K143 HydrophobicContact CD2-CB 4.4Å; W69-K143 HydrophobicContact CD2-CD 3.88Å; W69-K143 HydrophobicContact CD2-CG 4.36Å; W69-K143 HydrophobicContact CE3-CD 4.03Å; W69-K143 HydrophobicContact CG-CB 4.06Å; W69-K143 HydrophobicContact CG-CD 4.38Å; W69-K143 HydrophobicContact CH2-CD 4.4Å; W69-K143 HydrophobicContact CZ2-CD 4.3Å; W69-K143 HydrophobicContact CZ3-CD 4.28Å; I95-K143 HydrophobicContact CD1-CD 3.59Å; A139-K143 WeakPolarHBondContact O-CE 3.46Å; L140-K143 PolarHBondContact O-N 3.25Å; L140-K143 VanDerWaalsContact O-N 3.14Å; K143-I145 HydrophobicContact CB-CD1 3.52Å; K143-I145 HydrophobicContact CB-CG1 4.24Å; K143-I145 HydrophobicContact CD-CD1 4.44Å; K143-I145 PolarHBondContact O-N 2.98Å
144D96.4Very high91.5Very high33 Ų3345 Ų4518%0.17623%0.229CC..  trans-74.674.6171.5-179.742.9000110.2G67 E68 W69 G146 R195 R197G67-D144 WeakPolarHBondContact CA-OD2 3.31Å; E68-D144 PolarHBondContact N-O 3.43Å; E68-D144 PolarHBondContact N-OD2 3.5Å; W69-D144 PolarHBondContact N-O 2.91Å; D144-G146 PolarHBondContact O-N 3.17Å; D144-R195 IonicContact OD1-NE 3.48Å; D144-R195 PolarHBondContact OD1-NE 3.05Å; D144-R197 IonicContact OD1-CZ 3.79Å; D144-R197 IonicContact OD1-NH2 2.88Å; D144-R197 PolarHBondContact OD1-NH2 3.14Å; D144-R197 IonicContact OD2-CZ 3.58Å; D144-R197 IonicContact OD2-NH2 2.64Å; D144-R197 PolarHBondContact OD2-NH2 3.36Å
145I98Very high90.5Very high7 Ų741 Ų414%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-67.9105179.5-52.4-51.9000108.8W69 V71 I95 L140 K143 V188 M192 R195W69-I145 HydrophobicContact CB-CD1 3.69Å; W69-I145 HydrophobicContact CG-CD1 4.45Å; V71-I145 HydrophobicContact CG2-CD1 4.13Å; V71-I145 HydrophobicContact CG2-CG2 3.84Å; I95-I145 HydrophobicContact CD1-CD1 3.93Å; L140-I145 HydrophobicContact CB-CD1 4.36Å; L140-I145 HydrophobicContact CB-CG1 4.07Å; L140-I145 HydrophobicContact CD1-CG1 4.2Å; L140-I145 HydrophobicContact CD2-CD1 3.89Å; L140-I145 HydrophobicContact CD2-CG1 4.34Å; L140-I145 HydrophobicContact CG-CD1 4.47Å; L140-I145 HydrophobicContact CG-CG1 4.42Å; K143-I145 HydrophobicContact CB-CD1 3.52Å; K143-I145 HydrophobicContact CB-CG1 4.24Å; K143-I145 HydrophobicContact CD-CD1 4.44Å; K143-I145 PolarHBondContact O-N 2.98Å; I145-V188 HydrophobicContact CG2-CB 4.37Å; I145-V188 HydrophobicContact CG2-CG1 4.18Å; I145-M192 HydrophobicContact CG2-CE 4.19Å; I145-R195 PolarHBondContact O-NH2 3.31Å
146G97.5Very high89.5Confident0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-101.7-23.5179.600000113.8F66 W69 D144 G198 A199F66-G146 VanDerWaalsContact C-CA 3.48Å; F66-G146 WeakPolarHBondContact O-CA 3.2Å; W69-G146 PolarHBondContact O-N 3.26Å; D144-G146 PolarHBondContact O-N 3.17Å; G146-G198 CarbonylContact O-C 3.54Å; G146-G198 VanDerWaalsContact O-CA 3.32Å; G146-G198 WeakPolarHBondContact O-CA 3.45Å; G146-A199 PolarHBondContact O-N 2.87Å
147F98.4Very high88.5Confident0 Ų040.9 Ų40.90%021%0.209CC..EExtended strand (participates in β ladder)trans-130139.5-179.3-48.7-99.9000111.4L62 F66 G67 W69 A70 V71 L87 I92 A199 L277L62-F147 HydrophobicContact CB-CE1 4.46Å; L62-F147 HydrophobicContact CB-CZ 3.9Å; F66-F147 HydrophobicContact CB-CD1 4.33Å; F66-F147 HydrophobicContact CB-CE1 3.71Å; F66-F147 HydrophobicContact CB-CE2 4.01Å; F66-F147 HydrophobicContact CB-CZ 3.52Å; F66-F147 HydrophobicContact CD2-CD1 4.45Å; F66-F147 AromaticContact CD2-CE1 3.45Å; F66-F147 HydrophobicContact CD2-CE1 3.45Å; F66-F147 VanDerWaalsContact CD2-CE1 3.45Å; F66-F147 AromaticContact CD2-CZ 3.74Å; F66-F147 HydrophobicContact CD2-CZ 3.74Å; F66-F147 HydrophobicContact CE2-CE1 4.35Å; F66-F147 AromaticContact CG-CE1 3.9Å; F66-F147 HydrophobicContact CG-CE1 3.9Å; F66-F147 HydrophobicContact CG-CZ 4.08Å; G67-F147 VanDerWaalsContact O-CE2 3.29Å; G67-F147 WeakPolarHBondContact O-CE2 3.38Å; W69-F147 PolarHBondContact O-N 3.46Å; W69-F147 VanDerWaalsContact O-N 3.11Å; A70-F147 WeakPolarHBondContact CA-O 3.31Å; A70-F147 HydrophobicContact CB-CB 3.68Å; A70-F147 HydrophobicContact CB-CD2 3.99Å; A70-F147 HydrophobicContact CB-CG 4.14Å; V71-F147 PolarHBondContact N-O 3.36Å; L87-F147 HydrophobicContact CD2-CD1 4.4Å; L87-F147 HydrophobicContact CD2-CE1 4.35Å; I92-F147 HydrophobicContact CD1-CE2 3.92Å; I92-F147 HydrophobicContact CD1-CZ 4.37Å; I92-F147 HydrophobicContact CG1-CE2 4.11Å; I92-F147 HydrophobicContact CG2-CD2 3.9Å; I92-F147 HydrophobicContact CG2-CE2 3.89Å; F147-A199 CarbonylContact C-O 3.57Å; F147-A199 VanDerWaalsContact CA-O 3.28Å; F147-A199 WeakPolarHBondContact CA-O 3.39Å; F147-A199 HydrophobicContact CD1-CB 3.82Å; F147-A199 HydrophobicContact CE1-CB 4.24Å; F147-L277 HydrophobicContact CD1-CD2 4.06Å; F147-L277 HydrophobicContact CE1-CD2 3.81Å
148L98.4Very high87.6Confident0 Ų041.7 Ų41.70%022%0.22CC..EExtended strand (participates in β ladder)trans-123.1122.8160.2171.165.8000108V71 M184 V188 M192 A199 V200 V201V71-L148 HydrophobicContact CB-CD1 4.08Å; V71-L148 HydrophobicContact CG1-CD1 3.99Å; V71-L148 CarbonylContact O-C 3.53Å; V71-L148 WeakPolarHBondContact O-CA 2.98Å; L148-M184 HydrophobicContact CD1-CB 4.15Å; L148-M184 HydrophobicContact CD1-CE 3.85Å; L148-M184 HydrophobicContact CD2-CB 4.08Å; L148-V188 HydrophobicContact CB-CG2 3.85Å; L148-V188 HydrophobicContact CD2-CG2 3.53Å; L148-V188 HydrophobicContact CG-CG2 4.25Å; L148-M192 HydrophobicContact CB-CE 4.28Å; L148-A199 PolarHBondContact N-O 3.27Å; L148-V200 HydrophobicContact CB-CG2 4.5Å; L148-V200 HydrophobicContact CD2-CG1 4.31Å; L148-V200 CarbonylContact O-C 3.57Å; L148-V200 WeakPolarHBondContact O-CA 3.31Å; L148-V201 PolarHBondContact O-N 3.2Å
149V98Very high86.8Confident0 Ų038.7 Ų38.70%021%0.206CC..EExtended strand (participates in β ladder)trans-115.6114174.4-173.40000107.8V71 I72 Y73 Y83 L87 V201 I203V71-V149 PolarHBondContact O-N 3.33Å; I72-V149 HydrophobicContact CD1-CB 3.63Å; I72-V149 HydrophobicContact CD1-CG2 3.51Å; I72-V149 HydrophobicContact CG2-CB 4.47Å; Y73-V149 PolarHBondContact N-O 2.82Å; Y83-V149 HydrophobicContact CD1-CG1 4.05Å; Y83-V149 HydrophobicContact CD1-CG2 3.81Å; Y83-V149 HydrophobicContact CE1-CG1 4.32Å; Y83-V149 HydrophobicContact CE1-CG2 3.65Å; Y83-V149 HydrophobicContact CG-CG1 4.36Å; L87-V149 HydrophobicContact CD1-CG2 4.22Å; V149-V201 CarbonylContact C-O 3.53Å; V149-V201 VanDerWaalsContact CA-O 3.3Å; V149-V201 WeakPolarHBondContact CA-O 3.41Å; V149-V201 HydrophobicContact CG1-CB 4.45Å; V149-V201 HydrophobicContact CG2-CB 4.29Å; V149-I203 HydrophobicContact CG1-CD1 3.65Å; V149-I203 HydrophobicContact CG1-CG1 4.3Å
150N96.6Very high85.8Confident0 Ų041.2 Ų41.20%022%0.22CC..EExtended strand (participates in β ladder)trans-101.1115172.6-59.7-58000108.2T181 V201 N202 I203N150-T181 HydrophobicContact CB-CG2 4.08Å; N150-V201 PolarHBondContact N-O 2.89Å; N150-N202 PolarHBondContact ND2-OD1 2.67Å; N150-I203 PolarHBondContact O-N 2.75Å
151C91.9Very high85.3Confident7 Ų745.5 Ų45.55%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-99.1125.9173.6-162.70000110.2Y73 I203Y73-C151 PolarHBondContact O-N 2.89Å; C151-I203 HydrophobicContact CB-CD1 4.17Å
152V81.1Confident85.1Confident12 Ų1244.2 Ų44.27%0.07324%0.236CC..PPolyproline II helixtrans-64.8134.7174.1161.50000110.4N177 I203 L218 T222 L225V152-N177 WeakPolarHBondContact CA-OD1 3.39Å; V152-I203 WeakPolarHBondContact CB-O 3.42Å; V152-I203 WeakPolarHBondContact CG2-O 3.49Å; V152-I203 PolarHBondContact N-O 2.81Å; V152-L218 HydrophobicContact CG1-CD1 4.17Å; V152-T222 HydrophobicContact CG1-CG2 3.94Å; V152-T222 HydrophobicContact CG2-CG2 4.39Å; V152-L225 HydrophobicContact CG2-CD1 3.96Å; V152-L225 HydrophobicContact CG2-CD2 3.3Å; V152-L225 HydrophobicContact CG2-CG 4.23Å
153D78Confident85Confident17 Ų1743.5 Ų43.59%0.09124%0.237CC..PPolyproline II helixtrans-69.2125.8163.7-178.5-62.9000108.9S155 R176 N177D153-S155 WeakPolarHBondContact OD1-CB 3.38Å; D153-S155 PolarHBondContact OD1-N 3.39Å; D153-S155 PolarHBondContact OD1-OG 3.05Å; D153-R176 HydrophobicContact CB-CB 4.36Å; D153-R176 IonicContact OD2-CZ 2.71Å; D153-R176 IonicContact OD2-NH1 3.43Å; D153-R176 PolarHBondContact OD2-NH1 3.25Å; D153-N177 WeakPolarHBondContact CB-OD1 3.29Å; D153-N177 PolarHBondContact N-OD1 2.69Å; D153-N177 PolarHBondContact O-ND2 2.93Å; D153-N177 VanDerWaalsContact O-ND2 3.13Å
154D72.7Confident84.5Confident38 Ų3843.6 Ų43.620%0.20325%0.252CS..  trans-114.119.7-173.1-174.858.1000112L156 R157D154-L156 PolarHBondContact O-N 2.92Å; D154-L156 VanDerWaalsContact O-N 3.08Å; D154-R157 VanDerWaalsContact O-CB 3.31Å; D154-R157 WeakPolarHBondContact O-CB 3.29Å; D154-R157 PolarHBondContact O-N 3.46Å; D154-R157 IonicContact OD1-CZ 3.6Å; D154-R157 IonicContact OD1-NE 3.9Å; D154-R157 IonicContact OD1-NH2 2.7Å; D154-R157 PolarHBondContact OD1-NH2 2.69Å; D154-R157 VanDerWaalsContact OD1-NH2 3.11Å; D154-R157 IonicContact OD2-CZ 2.79Å; D154-R157 IonicContact OD2-NE 2.86Å; D154-R157 PolarHBondContact OD2-NE 3.35Å; D154-R157 IonicContact OD2-NH2 3.34Å; D154-R157 PolarHBondContact OD2-NH2 2.99Å
155S67.1Low84.1Confident63 Ų6343.2 Ų43.244%0.44125%0.249SC..G310 helixtrans-54.2-29.9178.458.70000113.1D153 R157D153-S155 WeakPolarHBondContact OD1-CB 3.38Å; D153-S155 PolarHBondContact OD1-N 3.39Å; D153-S155 PolarHBondContact OD1-OG 3.05Å; S155-R157 PolarHBondContact O-N 2.79Å
156L68.4Low83.7Confident6 Ų645.9 Ų45.93%0.03127%0.269CS..G310 helixtrans-75.8-1.3178.5-67.7-169.1000115.3D154 N158 S159 L165 L169 V173 A217 L218D154-L156 PolarHBondContact O-N 2.92Å; D154-L156 VanDerWaalsContact O-N 3.08Å; L156-N158 PolarHBondContact O-N 2.91Å; L156-N158 VanDerWaalsContact O-N 3.16Å; L156-S159 VanDerWaalsContact CA-OG 3.31Å; L156-S159 WeakPolarHBondContact CA-OG 3.39Å; L156-S159 WeakPolarHBondContact CD2-OG 3.28Å; L156-S159 PolarHBondContact O-N 2.83Å; L156-L165 HydrophobicContact CD2-CD2 4.36Å; L156-L169 HydrophobicContact CD2-CD1 4.16Å; L156-L169 HydrophobicContact CD2-CD2 3.6Å; L156-L169 HydrophobicContact CD2-CG 3.77Å; L156-V173 HydrophobicContact CD1-CB 4.17Å; L156-V173 HydrophobicContact CD1-CG1 3.9Å; L156-V173 HydrophobicContact CD1-CG2 3.64Å; L156-V173 HydrophobicContact CD2-CG2 4.19Å; L156-V173 HydrophobicContact CG-CG2 3.61Å; L156-A217 HydrophobicContact CD1-CB 3.9Å; L156-L218 HydrophobicContact CB-CB 4.05Å; L156-L218 HydrophobicContact CB-CD2 4.24Å; L156-L218 HydrophobicContact CD1-CB 4.34Å
157R70.8Confident83.4Confident71 Ų7153 Ų5327%0.26830%0.302SS..G310 helixtrans-56.8-36.6-173.5-179.4-177.5-66.6-81.4-7.8113.2D154 S155 K215D154-R157 VanDerWaalsContact O-CB 3.31Å; D154-R157 WeakPolarHBondContact O-CB 3.29Å; D154-R157 PolarHBondContact O-N 3.46Å; D154-R157 IonicContact OD1-CZ 3.6Å; D154-R157 IonicContact OD1-NE 3.9Å; D154-R157 IonicContact OD1-NH2 2.7Å; D154-R157 PolarHBondContact OD1-NH2 2.69Å; D154-R157 VanDerWaalsContact OD1-NH2 3.11Å; D154-R157 IonicContact OD2-CZ 2.79Å; D154-R157 IonicContact OD2-NE 2.86Å; D154-R157 PolarHBondContact OD2-NE 3.35Å; D154-R157 IonicContact OD2-NH2 3.34Å; D154-R157 PolarHBondContact OD2-NH2 2.99Å; S155-R157 PolarHBondContact O-N 2.79Å; R157-K215 WeakPolarHBondContact O-CE 3.48Å; R157-K215 PolarHBondContact O-NZ 3.37Å
158N72.4Confident82.9Confident150 Ų15058.8 Ų58.880%0.80233%0.333SS*.G310 helixtrans-118.422.1-174.9-60.7-27.7000112.3L156L156-N158 PolarHBondContact O-N 2.91Å; L156-N158 VanDerWaalsContact O-N 3.16Å
159S74.2Confident82.3Confident26 Ų2661.2 Ų61.218%0.18235%0.346CS..  trans-78159.3-177.9-66.70000112.8L156L156-S159 VanDerWaalsContact CA-OG 3.31Å; L156-S159 WeakPolarHBondContact CA-OG 3.39Å; L156-S159 WeakPolarHBondContact CD2-OG 3.28Å; L156-S159 PolarHBondContact O-N 2.83Å
160P72.2Confident81.9Confident79 Ų7962.8 Ų62.851%0.51335%0.354SS..  trans-63.6176.4175.428.2-36.5000112L165P160-L165 HydrophobicContact CG-CD2 3.94Å
161N83.1Confident81.6Confident102 Ų10270.1 Ų70.155%0.54538%0.382SS..  trans-53.7156.1173.6-70.1-29000112T163 G164 S214N161-T163 VanDerWaalsContact C-N 3.26Å; N161-T163 PolarHBondContact O-N 3.49Å; N161-T163 VanDerWaalsContact O-N 3.08Å; N161-G164 WeakPolarHBondContact O-CA 3.32Å; N161-G164 PolarHBondContact O-N 3.45Å; N161-S214 PolarHBondContact OD1-OG 3.15Å
162F85.4Confident81.3Confident117 Ų11772.7 Ų72.751%0.51340%0.395SS..G310 helixtrans-50.1-41.7-172.4-176.2-101.7000114.3G164 L165 L170 A216F162-G164 PolarHBondContact O-N 2.73Å; F162-L165 HydrophobicContact CD2-CD1 4.34Å; F162-L165 PolarHBondContact O-N 3.22Å; F162-L170 HydrophobicContact CD2-CD2 4.35Å; F162-L170 HydrophobicContact CE2-CD1 4.22Å; F162-L170 HydrophobicContact CE2-CD2 3.8Å; F162-L170 HydrophobicContact CZ-CD1 4.21Å; F162-A216 HydrophobicContact CD2-CB 4.26Å
163T88.3Confident81.6Confident137 Ų13772.3 Ų72.384%0.8439%0.393SS*.G310 helixtrans-70.8-13.2179.456.70000114.2N161N161-T163 VanDerWaalsContact C-N 3.26Å; N161-T163 PolarHBondContact O-N 3.49Å; N161-T163 VanDerWaalsContact O-N 3.08Å
164G85.6Confident82.1Confident51 Ų5174.9 Ų74.953%0.52641%0.406SS..G310 helixtrans-96.31.6175.500000113.7N161 F162N161-G164 WeakPolarHBondContact O-CA 3.32Å; N161-G164 PolarHBondContact O-N 3.45Å; F162-G164 PolarHBondContact O-N 2.73Å
165L87.7Confident82.9Confident24 Ų2474.6 Ų74.613%0.12640%0.404CS..SBendtrans-85.5138.8174.5-55.5177.4000109.6L156 P160 F162 L169 L170L156-L165 HydrophobicContact CD2-CD2 4.36Å; P160-L165 HydrophobicContact CG-CD2 3.94Å; F162-L165 HydrophobicContact CD2-CD1 4.34Å; F162-L165 PolarHBondContact O-N 3.22Å; L165-L169 HydrophobicContact CD2-CD2 4.12Å; L165-L170 HydrophobicContact CB-CD2 4.23Å; L165-L170 HydrophobicContact CB-CG 4.2Å; L165-L170 HydrophobicContact CD1-CD2 3.8Å
166S89.8Confident83.9Confident64 Ų6475.3 Ų75.345%0.44840%0.397SS..  trans-69.9151.5171.260.90000110.8D168 L169 L170S166-D168 VanDerWaalsContact C-N 3.26Å; S166-D168 PolarHBondContact O-N 2.81Å; S166-L169 PolarHBondContact O-N 3.07Å; S166-L169 VanDerWaalsContact OG-CB 3.29Å; S166-L169 WeakPolarHBondContact OG-CB 3.21Å; S166-L169 PolarHBondContact OG-N 2.86Å; S166-L170 WeakPolarHBondContact O-CG 3.41Å; S166-L170 PolarHBondContact O-N 3.43Å; S166-L170 VanDerWaalsContact O-N 3.16Å
167E90.6Very high84.9Confident149 Ų14975 Ų7570%0.69640%0.396SS*.Hα-helixtrans-59.9-39.6174.7-65.6-175.6-173.900111.5L169 L170 W171E167-L169 VanDerWaalsContact C-N 3.34Å; E167-L169 PolarHBondContact O-N 2.9Å; E167-L170 WeakPolarHBondContact O-CB 3.3Å; E167-L170 PolarHBondContact O-N 2.96Å; E167-W171 VanDerWaalsContact O-CD1 3.29Å; E167-W171 PolarHBondContact O-N 3.04Å
168D88.8Confident86Confident122 Ų12273.8 Ų73.865%0.65239%0.394SS*.Hα-helixtrans-58.1-45.4177.2-62.4-27.8000111.7S166 L170 W171 D172S166-D168 VanDerWaalsContact C-N 3.26Å; S166-D168 PolarHBondContact O-N 2.81Å; D168-L170 VanDerWaalsContact C-N 3.33Å; D168-L170 PolarHBondContact O-N 3.26Å; D168-W171 PolarHBondContact O-N 3.45Å; D168-D172 WeakPolarHBondContact O-CB 3.27Å; D168-D172 PolarHBondContact O-N 3.15Å
169L86.3Confident86.9Confident50 Ų5067.9 Ų67.926%0.26237%0.366SS..Hα-helixtrans-66-36.6178.5-179.163.7000111.9L156 L165 S166 E167 V173L156-L169 HydrophobicContact CD2-CD1 4.16Å; L156-L169 HydrophobicContact CD2-CD2 3.6Å; L156-L169 HydrophobicContact CD2-CG 3.77Å; L165-L169 HydrophobicContact CD2-CD2 4.12Å; S166-L169 PolarHBondContact O-N 3.07Å; S166-L169 VanDerWaalsContact OG-CB 3.29Å; S166-L169 WeakPolarHBondContact OG-CB 3.21Å; S166-L169 PolarHBondContact OG-N 2.86Å; E167-L169 VanDerWaalsContact C-N 3.34Å; E167-L169 PolarHBondContact O-N 2.9Å; L169-V173 VanDerWaalsContact O-CG2 3.25Å; L169-V173 WeakPolarHBondContact O-CG2 3.19Å; L169-V173 PolarHBondContact O-N 3.14Å; L169-V173 VanDerWaalsContact O-N 3.12Å
170L89.1Confident87.7Confident34 Ų3466.6 Ų66.618%0.17836%0.357CS..Hα-helixtrans-64.7-44.7175.1-69.7173.3000111.2F162 L165 S166 E167 D168 V173 I174 A217F162-L170 HydrophobicContact CD2-CD2 4.35Å; F162-L170 HydrophobicContact CE2-CD1 4.22Å; F162-L170 HydrophobicContact CE2-CD2 3.8Å; F162-L170 HydrophobicContact CZ-CD1 4.21Å; L165-L170 HydrophobicContact CB-CD2 4.23Å; L165-L170 HydrophobicContact CB-CG 4.2Å; L165-L170 HydrophobicContact CD1-CD2 3.8Å; S166-L170 WeakPolarHBondContact O-CG 3.41Å; S166-L170 PolarHBondContact O-N 3.43Å; S166-L170 VanDerWaalsContact O-N 3.16Å; E167-L170 WeakPolarHBondContact O-CB 3.3Å; E167-L170 PolarHBondContact O-N 2.96Å; D168-L170 VanDerWaalsContact C-N 3.33Å; D168-L170 PolarHBondContact O-N 3.26Å; L170-V173 PolarHBondContact O-N 2.85Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 3.36Å; L170-I174 VanDerWaalsContact O-N 3.11Å; L170-A217 HydrophobicContact CD2-CB 3.89Å
171W89.2Confident88.8Confident154 Ų15462.9 Ų62.958%0.58333%0.333SS*.Hα-helixtrans-64.9-41.4176.4-83115.6000112.4E167 D168 V173 I174 N175E167-W171 VanDerWaalsContact O-CD1 3.29Å; E167-W171 PolarHBondContact O-N 3.04Å; D168-W171 PolarHBondContact O-N 3.45Å; W171-V173 VanDerWaalsContact C-N 3.33Å; W171-V173 PolarHBondContact O-N 3.32Å; W171-I174 PolarHBondContact O-N 3.48Å; W171-N175 WeakPolarHBondContact O-CB 3.29Å; W171-N175 PolarHBondContact O-N 3.19Å; W171-N175 PolarHBondContact O-ND2 3.02Å
172D86.3Confident89.3Confident61 Ų6160.2 Ų60.233%0.32632%0.32SS..Hα-helixtrans-58.7-45.1176.7-80.4-12.6000111.6D168 N175 R176D168-D172 WeakPolarHBondContact O-CB 3.27Å; D168-D172 PolarHBondContact O-N 3.15Å; D172-N175 PolarHBondContact O-N 2.91Å; D172-R176 VanDerWaalsContact O-CB 3.29Å; D172-R176 WeakPolarHBondContact O-CB 3.37Å; D172-R176 VanDerWaalsContact O-CG 3.28Å; D172-R176 WeakPolarHBondContact O-CG 3.26Å; D172-R176 PolarHBondContact O-N 3.1Å
173V86.9Confident89.7Confident4 Ų455.6 Ų55.62%0.02430%0.301CS..Hα-helixtrans-65.9-41.1178.8170.20000111.4L156 L169 L170 W171 N177L156-V173 HydrophobicContact CD1-CB 4.17Å; L156-V173 HydrophobicContact CD1-CG1 3.9Å; L156-V173 HydrophobicContact CD1-CG2 3.64Å; L156-V173 HydrophobicContact CD2-CG2 4.19Å; L156-V173 HydrophobicContact CG-CG2 3.61Å; L169-V173 VanDerWaalsContact O-CG2 3.25Å; L169-V173 WeakPolarHBondContact O-CG2 3.19Å; L169-V173 PolarHBondContact O-N 3.14Å; L169-V173 VanDerWaalsContact O-N 3.12Å; L170-V173 PolarHBondContact O-N 2.85Å; W171-V173 VanDerWaalsContact C-N 3.33Å; W171-V173 PolarHBondContact O-N 3.32Å; V173-N177 VanDerWaalsContact O-CB 3.24Å; V173-N177 WeakPolarHBondContact O-CB 3.46Å; V173-N177 PolarHBondContact O-N 3.09Å
174I89.8Confident89.9Confident70 Ų7049.1 Ų49.136%0.35926%0.261SS..Iπ-helixtrans-62.9-46.2175.2-69.6167.2000110.3L170 W171 I178 A179L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 3.36Å; L170-I174 VanDerWaalsContact O-N 3.11Å; W171-I174 PolarHBondContact O-N 3.48Å; I174-I178 HydrophobicContact CG2-CD1 4.49Å; I174-I178 WeakPolarHBondContact O-CA 3.31Å; I174-I178 VanDerWaalsContact O-CB 3.27Å; I174-I178 WeakPolarHBondContact O-CB 3.27Å; I174-I178 PolarHBondContact O-N 3.19Å; I174-A179 PolarHBondContact O-N 3.27Å; I174-A179 VanDerWaalsContact O-N 3.11Å
175N89.5Confident90.4Very high33 Ų3346.8 Ų46.818%0.17624%0.237CC..Iπ-helixtrans-66.7-46.3-177.7-72.4-29.3000111.8W171 D172 A179 A180W171-N175 WeakPolarHBondContact O-CB 3.29Å; W171-N175 PolarHBondContact O-N 3.19Å; W171-N175 PolarHBondContact O-ND2 3.02Å; D172-N175 PolarHBondContact O-N 2.91Å; N175-A179 WeakPolarHBondContact O-CB 3.5Å; N175-A179 PolarHBondContact O-N 3.49Å; N175-A180 WeakPolarHBondContact O-CB 3.29Å; N175-A180 PolarHBondContact O-N 3.34Å
176R87.4Confident90.7Very high77 Ų7754.9 Ų54.929%0.29127%0.266SS..Iπ-helixtrans-69.1-43.1179.6-70.3178.1176.4-172.44.2112.4Y73 D153 D172 A180Y73-R176 VanDerWaalsContact CE1-O 3.29Å; Y73-R176 WeakPolarHBondContact CE1-O 3.47Å; D153-R176 HydrophobicContact CB-CB 4.36Å; D153-R176 IonicContact OD2-CZ 2.71Å; D153-R176 IonicContact OD2-NH1 3.43Å; D153-R176 PolarHBondContact OD2-NH1 3.25Å; D172-R176 VanDerWaalsContact O-CB 3.29Å; D172-R176 WeakPolarHBondContact O-CB 3.37Å; D172-R176 VanDerWaalsContact O-CG 3.28Å; D172-R176 WeakPolarHBondContact O-CG 3.26Å; D172-R176 PolarHBondContact O-N 3.1Å; R176-A180 WeakPolarHBondContact O-CB 3.33Å
177N90.2Very high90.9Very high1 Ų153.6 Ų53.61%0.00525%0.254CS..Iπ-helixtrans-88.2-45.3-174.2-66-20.2000112.6V152 D153 V173 T181 L225V152-N177 WeakPolarHBondContact CA-OD1 3.39Å; D153-N177 WeakPolarHBondContact CB-OD1 3.29Å; D153-N177 PolarHBondContact N-OD1 2.69Å; D153-N177 PolarHBondContact O-ND2 2.93Å; D153-N177 VanDerWaalsContact O-ND2 3.13Å; V173-N177 VanDerWaalsContact O-CB 3.24Å; V173-N177 WeakPolarHBondContact O-CB 3.46Å; V173-N177 PolarHBondContact O-N 3.09Å; N177-T181 WeakPolarHBondContact O-CB 3.3Å; N177-T181 PolarHBondContact O-OG1 3.32Å; N177-L225 HydrophobicContact CB-CD1 4.43Å
178I93.1Very high91.2Very high44 Ų4446.9 Ų46.923%0.22622%0.223CC..Iπ-helixtrans-93.4-58.5-171.5-57.8177.9000110.4I174 T182 Y224I174-I178 HydrophobicContact CG2-CD1 4.49Å; I174-I178 WeakPolarHBondContact O-CA 3.31Å; I174-I178 VanDerWaalsContact O-CB 3.27Å; I174-I178 WeakPolarHBondContact O-CB 3.27Å; I174-I178 PolarHBondContact O-N 3.19Å; I178-T182 WeakPolarHBondContact O-CB 3.32Å; I178-T182 PolarHBondContact O-N 2.95Å; I178-T182 PolarHBondContact O-OG1 3.15Å; I178-Y224 HydrophobicContact CB-CD1 4.37Å; I178-Y224 HydrophobicContact CB-CE1 4.47Å; I178-Y224 HydrophobicContact CD1-CG 4.5Å; I178-Y224 HydrophobicContact CG1-CD1 4.13Å; I178-Y224 HydrophobicContact CG1-CG 4.28Å; I178-Y224 HydrophobicContact CG2-CD1 3.92Å; I178-Y224 HydrophobicContact CG2-CD2 4.23Å; I178-Y224 HydrophobicContact CG2-CE1 3.72Å; I178-Y224 HydrophobicContact CG2-CE2 4.03Å; I178-Y224 HydrophobicContact CG2-CG 4.18Å
179A92Very high91.5Very high26 Ų2641.7 Ų41.722%0.21520%0.195CC..Iπ-helixtrans-64.6-48.7-173.400000111.5I174 N175 T182 L183I174-A179 PolarHBondContact O-N 3.27Å; I174-A179 VanDerWaalsContact O-N 3.11Å; N175-A179 WeakPolarHBondContact O-CB 3.5Å; N175-A179 PolarHBondContact O-N 3.49Å; A179-T182 PolarHBondContact O-N 2.9Å; A179-L183 WeakPolarHBondContact O-CB 3.41Å; A179-L183 VanDerWaalsContact O-CG 3.3Å; A179-L183 WeakPolarHBondContact O-CG 3.36Å; A179-L183 PolarHBondContact O-N 2.82Å
180A91.4Very high92Very high0 Ų043.1 Ų43.10%021%0.207CC..Hα-helixtrans-60.4-49.9179.500000112.1Y73 F126 N175 R176 T182 L183 M184Y73-A180 HydrophobicContact CD1-CB 4.22Å; Y73-A180 HydrophobicContact CE1-CB 3.47Å; Y73-A180 VanDerWaalsContact CE1-CB 3.47Å; Y73-A180 HydrophobicContact CE2-CB 4.02Å; Y73-A180 WeakPolarHBondContact OH-CB 3.44Å; F126-A180 HydrophobicContact CB-CB 3.73Å; F126-A180 HydrophobicContact CD1-CB 4.19Å; F126-A180 HydrophobicContact CD2-CB 3.52Å; F126-A180 HydrophobicContact CE2-CB 4.19Å; F126-A180 HydrophobicContact CG-CB 3.52Å; N175-A180 WeakPolarHBondContact O-CB 3.29Å; N175-A180 PolarHBondContact O-N 3.34Å; R176-A180 WeakPolarHBondContact O-CB 3.33Å; A180-T182 VanDerWaalsContact C-N 3.27Å; A180-T182 PolarHBondContact O-N 3.44Å; A180-L183 PolarHBondContact O-N 3.22Å; A180-M184 VanDerWaalsContact O-CB 3.24Å; A180-M184 WeakPolarHBondContact O-CB 3.27Å; A180-M184 VanDerWaalsContact O-CG 3.29Å; A180-M184 WeakPolarHBondContact O-CG 3.22Å; A180-M184 PolarHBondContact O-N 2.99Å
181T93.4Very high92.4Very high1 Ų142.2 Ų42.21%0.00621%0.206CC..Hα-helixtrans-55.6-43.8177.1-62.60000111.7N150 N177 T185 L225 F228N150-T181 HydrophobicContact CB-CG2 4.08Å; N177-T181 WeakPolarHBondContact O-CB 3.3Å; N177-T181 PolarHBondContact O-OG1 3.32Å; T181-T185 VanDerWaalsContact O-CB 3.26Å; T181-T185 WeakPolarHBondContact O-CB 3.28Å; T181-T185 PolarHBondContact O-N 2.93Å; T181-T185 PolarHBondContact O-OG1 3.4Å; T181-L225 HydrophobicContact CG2-CD2 4.36Å; T181-L225 HydrophobicContact CG2-CG 4.28Å; T181-F228 HydrophobicContact CG2-CD1 4.27Å; T181-F228 HydrophobicContact CG2-CE1 4.13Å
182T94.8Very high92.8Very high45 Ų4534.9 Ų34.928%0.27618%0.179SC..Hα-helixtrans-64.1-49.3-179.9-55.40000111.3I178 A179 A180 T185 R186 Y224I178-T182 WeakPolarHBondContact O-CB 3.32Å; I178-T182 PolarHBondContact O-N 2.95Å; I178-T182 PolarHBondContact O-OG1 3.15Å; A179-T182 PolarHBondContact O-N 2.9Å; A180-T182 VanDerWaalsContact C-N 3.27Å; A180-T182 PolarHBondContact O-N 3.44Å; T182-T185 PolarHBondContact O-N 3.24Å; T182-R186 WeakPolarHBondContact O-CB 3.32Å; T182-R186 PolarHBondContact O-N 2.8Å; T182-Y224 PolarHBondContact OG1-OH 2.96Å
183L93.3Very high93.3Very high21 Ų2133.6 Ų33.611%0.1117%0.173CC..Hα-helixtrans-69.5-43.6-176.8-69.6174.4000111.9F126 A179 A180 T185 R186 L187F126-L183 HydrophobicContact CD1-CB 4.32Å; F126-L183 HydrophobicContact CD1-CD1 3.99Å; F126-L183 HydrophobicContact CE1-CB 4.17Å; A179-L183 WeakPolarHBondContact O-CB 3.41Å; A179-L183 VanDerWaalsContact O-CG 3.3Å; A179-L183 WeakPolarHBondContact O-CG 3.36Å; A179-L183 PolarHBondContact O-N 2.82Å; A180-L183 PolarHBondContact O-N 3.22Å; L183-T185 VanDerWaalsContact C-N 3.33Å; L183-T185 PolarHBondContact O-N 3.22Å; L183-R186 PolarHBondContact O-N 2.91Å; L183-L187 WeakPolarHBondContact O-CB 3.31Å; L183-L187 PolarHBondContact O-N 2.7Å
184M93.6Very high93.8Very high0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-59.8-44174.8-76.2-56.4-5700111.7V71 I97 F126 V136 L148 A180 L187 V188V71-M184 HydrophobicContact CG1-CE 3.51Å; I97-M184 HydrophobicContact CD1-CE 3.52Å; I97-M184 HydrophobicContact CD1-SD 4.04Å; F126-M184 HydrophobicContact CE1-CG 4.35Å; F126-M184 HydrophobicContact CE1-SD 4.27Å; F126-M184 HydrophobicContact CE2-CG 4.21Å; F126-M184 HydrophobicContact CE2-SD 4.17Å; F126-M184 HydrophobicContact CZ-CG 3.75Å; F126-M184 HydrophobicContact CZ-SD 3.45Å; F126-M184 WeakPolarHBondContact CZ-SD 3.45Å; V136-M184 HydrophobicContact CG1-CE 4.07Å; V136-M184 HydrophobicContact CG1-SD 4.04Å; L148-M184 HydrophobicContact CD1-CB 4.15Å; L148-M184 HydrophobicContact CD1-CE 3.85Å; L148-M184 HydrophobicContact CD2-CB 4.08Å; A180-M184 VanDerWaalsContact O-CB 3.24Å; A180-M184 WeakPolarHBondContact O-CB 3.27Å; A180-M184 VanDerWaalsContact O-CG 3.29Å; A180-M184 WeakPolarHBondContact O-CG 3.22Å; A180-M184 PolarHBondContact O-N 2.99Å; M184-L187 WeakPolarHBondContact O-CB 3.45Å; M184-L187 PolarHBondContact O-N 2.85Å; M184-V188 PolarHBondContact O-N 3.27Å; M184-V188 VanDerWaalsContact O-N 3.15Å
185T95.7Very high94.2Very high3 Ų342.1 Ų42.12%0.01821%0.207CC..Hα-helixtrans-62.3-48.2176.3-57.70000110.6T181 T182 L183 L187 V188 L189 V200 F228 L232T181-T185 VanDerWaalsContact O-CB 3.26Å; T181-T185 WeakPolarHBondContact O-CB 3.28Å; T181-T185 PolarHBondContact O-N 2.93Å; T181-T185 PolarHBondContact O-OG1 3.4Å; T182-T185 PolarHBondContact O-N 3.24Å; L183-T185 VanDerWaalsContact C-N 3.33Å; L183-T185 PolarHBondContact O-N 3.22Å; T185-L187 PolarHBondContact O-N 2.84Å; T185-V188 PolarHBondContact O-N 3.48Å; T185-L189 HydrophobicContact CG2-CB 4.45Å; T185-L189 HydrophobicContact CG2-CD2 4.33Å; T185-L189 WeakPolarHBondContact O-CB 3.35Å; T185-L189 PolarHBondContact O-N 3.3Å; T185-V200 HydrophobicContact CG2-CG1 4.45Å; T185-F228 HydrophobicContact CG2-CE1 4.26Å; T185-F228 HydrophobicContact CG2-CZ 4.22Å; T185-L232 HydrophobicContact CG2-CD1 3.71Å
186R94.4Very high94.5Very high194 Ų19450 Ų5073%0.73223%0.234SC*.Hα-helixtrans-57.6-33.1176.6-177.5179.1179.288.40.7112.6T182 L183 P190T182-R186 WeakPolarHBondContact O-CB 3.32Å; T182-R186 PolarHBondContact O-N 2.8Å; L183-R186 PolarHBondContact O-N 2.91Å; R186-P190 WeakPolarHBondContact O-CD 3.41Å
187L93.6Very high95Very high37 Ų3749.8 Ų49.819%0.19423%0.234CC..Hα-helixtrans-72.6-43.7-177.8-171.9153.4000112.4C133 V136 K137 L140 L183 M184 T185C133-L187 HydrophobicContact CB-CD1 4.14Å; C133-L187 WeakPolarHBondContact O-CD1 3.49Å; V136-L187 HydrophobicContact CB-CD1 4.04Å; V136-L187 HydrophobicContact CG1-CD1 3.9Å; V136-L187 HydrophobicContact CG1-CD2 4.16Å; K137-L187 HydrophobicContact CB-CD1 3.97Å; K137-L187 HydrophobicContact CB-CG 4.28Å; L140-L187 HydrophobicContact CD1-CD2 3.35Å; L140-L187 HydrophobicContact CG-CD2 4.26Å; L183-L187 WeakPolarHBondContact O-CB 3.31Å; L183-L187 PolarHBondContact O-N 2.7Å; M184-L187 WeakPolarHBondContact O-CB 3.45Å; M184-L187 PolarHBondContact O-N 2.85Å; T185-L187 PolarHBondContact O-N 2.84Å
188V95.7Very high95.4Very high8 Ų849.8 Ų49.85%0.04823%0.233CC..Hα-helixtrans-90.3-29.9-175.7-54.80000113.9L140 I145 L148 M184 T185 G191 M192L140-V188 HydrophobicContact CD1-CG1 3.8Å; I145-V188 HydrophobicContact CG2-CB 4.37Å; I145-V188 HydrophobicContact CG2-CG1 4.18Å; L148-V188 HydrophobicContact CB-CG2 3.85Å; L148-V188 HydrophobicContact CD2-CG2 3.53Å; L148-V188 HydrophobicContact CG-CG2 4.25Å; M184-V188 PolarHBondContact O-N 3.27Å; M184-V188 VanDerWaalsContact O-N 3.15Å; T185-V188 PolarHBondContact O-N 3.48Å; V188-G191 PolarHBondContact O-N 2.89Å; V188-M192 HydrophobicContact CB-CE 4.2Å; V188-M192 HydrophobicContact CG2-CE 3.88Å; V188-M192 HydrophobicContact CG2-SD 4.29Å; V188-M192 PolarHBondContact O-N 3.44Å
189L96.8Very high95.6Very high12 Ų1247.7 Ų47.76%0.06322%0.223CC..Hα-helixtrans-61.1-40.9-168.6-175.267.3000113.6T185 G191 M192 V193 L232 Y236 V241T185-L189 HydrophobicContact CG2-CB 4.45Å; T185-L189 HydrophobicContact CG2-CD2 4.33Å; T185-L189 WeakPolarHBondContact O-CB 3.35Å; T185-L189 PolarHBondContact O-N 3.3Å; L189-G191 VanDerWaalsContact C-N 3.31Å; L189-G191 PolarHBondContact O-N 3.3Å; L189-M192 PolarHBondContact O-N 3.45Å; L189-M192 VanDerWaalsContact O-N 3.15Å; L189-V193 HydrophobicContact CD1-CG2 4.36Å; L189-V193 HydrophobicContact CG-CG2 4.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 2.79Å; L189-L232 HydrophobicContact CD2-CD2 4.26Å; L189-Y236 HydrophobicContact CD1-CG 4.27Å; L189-Y236 HydrophobicContact CD2-CD1 4.27Å; L189-Y236 HydrophobicContact CD2-CD2 3.83Å; L189-Y236 HydrophobicContact CD2-CE1 4.03Å; L189-Y236 HydrophobicContact CD2-CE2 3.6Å; L189-Y236 HydrophobicContact CD2-CG 4.18Å; L189-Y236 HydrophobicContact CG-CD1 4.47Å; L189-Y236 HydrophobicContact CG-CE1 4.48Å; L189-V241 HydrophobicContact CD1-CB 4.41Å; L189-V241 HydrophobicContact CD1-CG1 3.83Å; L189-V241 HydrophobicContact CD1-CG2 4.24Å
190P96.3Very high95.9Very high81 Ų8146.4 Ų46.453%0.52621%0.212SC..Hα-helixtrans-56.6-43.4178.2-26.635.9000113R186 V193 E194R186-P190 WeakPolarHBondContact O-CD 3.41Å; P190-V193 PolarHBondContact O-N 3.07Å; P190-E194 WeakPolarHBondContact O-CB 3.39Å; P190-E194 PolarHBondContact O-N 3.34Å
191G96.4Very high96.3Very high15 Ų1546.4 Ų46.416%0.15521%0.212CC..Hα-helixtrans-66.8-38.1177.800000112.7V188 L189 V193 E194 R195V188-G191 PolarHBondContact O-N 2.89Å; L189-G191 VanDerWaalsContact C-N 3.31Å; L189-G191 PolarHBondContact O-N 3.3Å; G191-V193 VanDerWaalsContact C-N 3.33Å; G191-E194 PolarHBondContact O-N 3.15Å; G191-R195 VanDerWaalsContact C-CZ 3.41Å; G191-R195 WeakPolarHBondContact O-CG 3.33Å; G191-R195 PolarHBondContact O-N 3.44Å; G191-R195 VanDerWaalsContact O-N 3.07Å; G191-R195 PolarHBondContact O-NE 3.24Å; G191-R195 PolarHBondContact O-NH1 2.78Å; G191-R195 VanDerWaalsContact O-NH1 3.16Å
192M98Very high96.5Very high0 Ų046.4 Ų46.40%021%0.212CC..Hα-helixtrans-64.6-38.7175-65.3-178.3177.100112I145 L148 V188 L189 R196 R197 V200 V241I145-M192 HydrophobicContact CG2-CE 4.19Å; L148-M192 HydrophobicContact CB-CE 4.28Å; V188-M192 HydrophobicContact CB-CE 4.2Å; V188-M192 HydrophobicContact CG2-CE 3.88Å; V188-M192 HydrophobicContact CG2-SD 4.29Å; V188-M192 PolarHBondContact O-N 3.44Å; L189-M192 PolarHBondContact O-N 3.45Å; L189-M192 VanDerWaalsContact O-N 3.15Å; M192-R196 WeakPolarHBondContact O-CA 3.37Å; M192-R196 PolarHBondContact O-N 2.87Å; M192-R197 WeakPolarHBondContact CA-O 3.39Å; M192-R197 PolarHBondContact O-N 3.43Å; M192-R197 VanDerWaalsContact O-O 3.13Å; M192-V200 HydrophobicContact SD-CG2 3.96Å; M192-V241 HydrophobicContact CB-CG1 4.43Å; M192-V241 HydrophobicContact CB-CG2 3.84Å; M192-V241 HydrophobicContact SD-CG1 4.25Å
193V97.8Very high96.5Very high34 Ų3444.4 Ų44.421%0.20620%0.2CC..Hα-helixtrans-66.5-46.5176.4169.20000111.1L189 P190 G191 R195 R196 Y236 Q239 V241L189-V193 HydrophobicContact CD1-CG2 4.36Å; L189-V193 HydrophobicContact CG-CG2 4.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 2.79Å; P190-V193 PolarHBondContact O-N 3.07Å; G191-V193 VanDerWaalsContact C-N 3.33Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 3.05Å; V193-R196 WeakPolarHBondContact O-CG 3.09Å; V193-R196 PolarHBondContact O-N 2.89Å; V193-Y236 HydrophobicContact CG2-CD1 3.6Å; V193-Y236 HydrophobicContact CG2-CE1 4.14Å; V193-Q239 HydrophobicContact CG1-CB 4.48Å; V193-V241 HydrophobicContact CG2-CG2 3.83Å
194E97.1Very high96.4Very high165 Ų16543.6 Ų43.677%0.77120%0.196SC*.Hα-helixtrans-57.2-44.5177.2-177177-163.800111.5P190 G191 R196P190-E194 WeakPolarHBondContact O-CB 3.39Å; P190-E194 PolarHBondContact O-N 3.34Å; G191-E194 PolarHBondContact O-N 3.15Å; E194-R196 VanDerWaalsContact C-N 3.25Å; E194-R196 PolarHBondContact O-N 3.11Å
195R96.7Very high96.2Very high87 Ų8744.3 Ų44.333%0.32820%0.201SC..THydrogen-bonded Turntrans-77.3-7.4176.8-65.4-175.9-67.7-83.86.7113.9D144 I145 G191 V193 R197D144-R195 IonicContact OD1-NE 3.48Å; D144-R195 PolarHBondContact OD1-NE 3.05Å; I145-R195 PolarHBondContact O-NH2 3.31Å; G191-R195 VanDerWaalsContact C-CZ 3.41Å; G191-R195 WeakPolarHBondContact O-CG 3.33Å; G191-R195 PolarHBondContact O-N 3.44Å; G191-R195 VanDerWaalsContact O-N 3.07Å; G191-R195 PolarHBondContact O-NE 3.24Å; G191-R195 PolarHBondContact O-NH1 2.78Å; G191-R195 VanDerWaalsContact O-NH1 3.16Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 3.05Å; R195-R197 HydrophobicContact CB-CG 4.07Å; R195-R197 PolarHBondContact O-N 3.43Å; R195-R197 VanDerWaalsContact O-N 3.14Å
196R97.4Very high95.6Very high198 Ų19844.3 Ų44.375%0.74720%0.202SC*.THydrogen-bonded Turntrans49.632.1-172-60.9-173.7174.9-177.4-0.7114M192 V193 E194 Q239 G240M192-R196 WeakPolarHBondContact O-CA 3.37Å; M192-R196 PolarHBondContact O-N 2.87Å; V193-R196 WeakPolarHBondContact O-CG 3.09Å; V193-R196 PolarHBondContact O-N 2.89Å; E194-R196 VanDerWaalsContact C-N 3.25Å; E194-R196 PolarHBondContact O-N 3.11Å; R196-Q239 WeakPolarHBondContact CA-O 3.32Å; R196-G240 WeakPolarHBondContact O-CA 3.4Å
197R97.3Very high95Very high74 Ų7435.9 Ų35.928%0.27917%0.174SC..  trans-155142.8176.268.5178.7-176.3146.67.9110.4R64 D144 M192 R195R64-R197 PolarHBondContact O-NH1 3.45Å; D144-R197 IonicContact OD1-CZ 3.79Å; D144-R197 IonicContact OD1-NH2 2.88Å; D144-R197 PolarHBondContact OD1-NH2 3.14Å; D144-R197 IonicContact OD2-CZ 3.58Å; D144-R197 IonicContact OD2-NH2 2.64Å; D144-R197 PolarHBondContact OD2-NH2 3.36Å; M192-R197 WeakPolarHBondContact CA-O 3.39Å; M192-R197 PolarHBondContact O-N 3.43Å; M192-R197 VanDerWaalsContact O-O 3.13Å; R195-R197 HydrophobicContact CB-CG 4.07Å; R195-R197 PolarHBondContact O-N 3.43Å; R195-R197 VanDerWaalsContact O-N 3.14Å
198G97.9Very high94.4Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans159.9165.1175.600000111.1F66 G146 F242F66-G198 WeakPolarHBondContact CD1-O 3.49Å; G146-G198 CarbonylContact O-C 3.54Å; G146-G198 VanDerWaalsContact O-CA 3.32Å; G146-G198 WeakPolarHBondContact O-CA 3.45Å; G198-F242 PolarHBondContact O-N 2.84Å
199A98.3Very high93.7Very high0 Ų038.3 Ų38.30%018%0.183CC..EExtended strand (participates in β ladder)trans-132.7122.4178.400000110.7F66 G146 F147 L148 F242 L277F66-A199 HydrophobicContact CB-CB 4.36Å; F66-A199 HydrophobicContact CD1-CB 3.82Å; F66-A199 HydrophobicContact CD2-CB 4.24Å; F66-A199 HydrophobicContact CE1-CB 4.07Å; F66-A199 HydrophobicContact CE2-CB 4.45Å; F66-A199 HydrophobicContact CG-CB 3.89Å; F66-A199 HydrophobicContact CZ-CB 4.36Å; G146-A199 PolarHBondContact O-N 2.87Å; F147-A199 CarbonylContact C-O 3.57Å; F147-A199 VanDerWaalsContact CA-O 3.28Å; F147-A199 WeakPolarHBondContact CA-O 3.39Å; F147-A199 HydrophobicContact CD1-CB 3.82Å; F147-A199 HydrophobicContact CE1-CB 4.24Å; L148-A199 PolarHBondContact N-O 3.27Å; A199-F242 CarbonylContact C-O 3.55Å; A199-F242 WeakPolarHBondContact CA-O 3.04Å; A199-L277 HydrophobicContact CB-CD1 4.36Å
200V98.6Very high93Very high0 Ų039.7 Ų39.70%019%0.187CC..EExtended strand (participates in β ladder)trans-105.5123168.4-179.40000108.2L148 T185 M192 V241 F242 V243 Q244L148-V200 HydrophobicContact CB-CG2 4.5Å; L148-V200 HydrophobicContact CD2-CG1 4.31Å; L148-V200 CarbonylContact O-C 3.57Å; L148-V200 WeakPolarHBondContact O-CA 3.31Å; T185-V200 HydrophobicContact CG2-CG1 4.45Å; M192-V200 HydrophobicContact SD-CG2 3.96Å; V200-V241 HydrophobicContact CG2-CG1 4.44Å; V200-F242 PolarHBondContact N-O 2.97Å; V200-V243 HydrophobicContact CB-CG1 4.2Å; V200-V243 HydrophobicContact CB-CG2 4.28Å; V200-V243 HydrophobicContact CG1-CG1 4.44Å; V200-V243 CarbonylContact O-C 3.15Å; V200-V243 WeakPolarHBondContact O-CA 3.29Å; V200-Q244 PolarHBondContact O-N 3.49Å
201V98.3Very high92.3Very high0 Ų039 Ų390%018%0.183CC..EExtended strand (participates in β ladder)trans-121.1113.6-179.5-175.60000108.3L148 V149 N150 I203 Q244 L246 L277L148-V201 PolarHBondContact O-N 3.2Å; V149-V201 CarbonylContact C-O 3.53Å; V149-V201 VanDerWaalsContact CA-O 3.3Å; V149-V201 WeakPolarHBondContact CA-O 3.41Å; V149-V201 HydrophobicContact CG1-CB 4.45Å; V149-V201 HydrophobicContact CG2-CB 4.29Å; N150-V201 PolarHBondContact N-O 2.89Å; V201-I203 HydrophobicContact CG1-CG1 4.36Å; V201-Q244 WeakPolarHBondContact CA-O 3.25Å; V201-Q244 HydrophobicContact CG2-CB 4.4Å; V201-L246 HydrophobicContact CG1-CD1 3.46Å; V201-L246 VanDerWaalsContact CG1-CD1 3.46Å; V201-L246 HydrophobicContact CG1-CG 3.87Å; V201-L277 HydrophobicContact CG2-CD1 3.49Å; V201-L277 VanDerWaalsContact CG2-CD1 3.49Å
202N97.8Very high91.5Very high0 Ų039.4 Ų39.40%018%0.183CC..EExtended strand (participates in β ladder)trans-106.5111.6176.8-66.6-30.4000108.2N150 S204 L225 S229 Q244 L246N150-N202 PolarHBondContact ND2-OD1 2.67Å; N202-S204 PolarHBondContact O-N 2.7Å; N202-L225 HydrophobicContact CB-CD2 4.22Å; N202-S229 WeakPolarHBondContact CB-OG 3.38Å; N202-S229 PolarHBondContact ND2-OG 3.17Å; N202-Q244 PolarHBondContact N-O 2.97Å; N202-L246 PolarHBondContact O-N 2.82Å
203I95.4Very high90.6Very high3 Ų341.2 Ų41.22%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-86.4101.7178.7-55.8164.8000107.8I79 Y83 V149 N150 C151 V152 V201 L246 P248I79-I203 HydrophobicContact CG2-CD1 3.95Å; I79-I203 HydrophobicContact CG2-CG2 4.26Å; Y83-I203 HydrophobicContact CD2-CD1 4.46Å; V149-I203 HydrophobicContact CG1-CD1 3.65Å; V149-I203 HydrophobicContact CG1-CG1 4.3Å; N150-I203 PolarHBondContact O-N 2.75Å; C151-I203 HydrophobicContact CB-CD1 4.17Å; V152-I203 WeakPolarHBondContact CB-O 3.42Å; V152-I203 WeakPolarHBondContact CG2-O 3.49Å; V152-I203 PolarHBondContact N-O 2.81Å; V201-I203 HydrophobicContact CG1-CG1 4.36Å; I203-L246 HydrophobicContact CG1-CB 4.28Å; I203-L246 HydrophobicContact CG1-CD1 4.05Å; I203-P248 HydrophobicContact CG2-CG 3.9Å
204S91Very high89.7Confident5 Ų541.1 Ų41.14%0.03520%0.196CC..  trans-90.9-146.4174-176.50000109.8N202 T222 L246 P248N202-S204 PolarHBondContact O-N 2.7Å; S204-T222 VanDerWaalsContact OG-C 3.27Å; S204-T222 WeakPolarHBondContact OG-CA 3.48Å; S204-T222 VanDerWaalsContact OG-CB 3.25Å; S204-T222 WeakPolarHBondContact OG-CB 3.48Å; S204-T222 PolarHBondContact OG-O 2.92Å; S204-L246 WeakPolarHBondContact CA-O 3.42Å; S204-L246 WeakPolarHBondContact CB-O 3.13Å; S204-L246 PolarHBondContact N-O 2.94Å; S204-P248 VanDerWaalsContact O-CD 3.29Å; S204-P248 WeakPolarHBondContact O-CD 3.28Å; S204-P248 WeakPolarHBondContact O-CG 3.41Å
205S89.1Confident89Confident14 Ų1436 Ų3610%0.09817%0.171CC..  trans-152.7151.2-178.91760000110.3A207 C208 V247 P248S205-A207 PolarHBondContact O-N 3.28Å; S205-A207 PolarHBondContact OG-N 3.07Å; S205-C208 WeakPolarHBondContact O-CB 3.34Å; S205-C208 PolarHBondContact O-N 2.95Å; S205-C208 PolarHBondContact O-SG 3.44Å; S205-V247 VanDerWaalsContact C-CG1 3.48Å; S205-V247 VanDerWaalsContact O-CG1 3.31Å; S205-V247 WeakPolarHBondContact O-CG1 3.27Å; S205-P248 CarbonylContact C-O 3.52Å; S205-P248 WeakPolarHBondContact CA-O 3.19Å
206G84.5Confident88.5Confident4 Ų434.6 Ų34.64%0.04118%0.178CC..G310 helixtrans-54.5-21.4170.800000113.5C208 Y209 P248G206-C208 PolarHBondContact O-N 2.63Å; G206-Y209 PolarHBondContact O-N 3Å; G206-P248 PolarHBondContact N-O 3.26Å
207A81.4Confident88.1Confident17 Ų1726.3 Ų26.314%0.1415%0.152CC..G310 helixtrans-62.8-13.9171.100000114S205 Y209 S219S205-A207 PolarHBondContact O-N 3.28Å; S205-A207 PolarHBondContact OG-N 3.07Å; A207-Y209 PolarHBondContact O-N 3.34Å; A207-S219 PolarHBondContact O-OG 3.33Å
208C80.9Confident87.4Confident19 Ų1922.9 Ų22.913%0.12814%0.139CC..G310 helixtrans-69.6-21.9176.882.30000112.8S205 G206 A223S205-C208 WeakPolarHBondContact O-CB 3.34Å; S205-C208 PolarHBondContact O-N 2.95Å; S205-C208 PolarHBondContact O-SG 3.44Å; G206-C208 PolarHBondContact O-N 2.63Å; C208-A223 HydrophobicContact CB-CB 4.37Å
209Y81.6Confident87Confident77 Ų7723.5 Ų23.530%0.30214%0.143SC..THydrogen-bonded Turntrans-93.4-36.1-170-174.5-95000113G206 A207 F293 V296 Q297G206-Y209 PolarHBondContact O-N 3Å; A207-Y209 PolarHBondContact O-N 3.34Å; Y209-F293 HydrophobicContact CD2-CE2 4.19Å; Y209-F293 AromaticContact CD2-CZ 3.92Å; Y209-F293 HydrophobicContact CD2-CZ 3.92Å; Y209-F293 AromaticContact CG-CE2 4Å; Y209-F293 HydrophobicContact CG-CE2 4Å; Y209-F293 HydrophobicContact CG-CZ 4.19Å; Y209-V296 HydrophobicContact CD1-CG1 3.98Å; Y209-Q297 HydrophobicContact CD1-CG 4.22Å; Y209-Q297 HydrophobicContact CE1-CB 4.13Å; Y209-Q297 HydrophobicContact CE1-CG 3.7Å; Y209-Q297 HydrophobicContact CE2-CG 3.96Å
210R82.1Confident86.6Confident40 Ų4026.5 Ų26.515%0.15117%0.168CC..SBendtrans-130.5131.3173.8-70.7-68.1-168.7-174.3-3.5109.6V296 M299 E301 W304R210-V296 HydrophobicContact CB-CG1 4.35Å; R210-V296 HydrophobicContact CG-CG1 3.65Å; R210-M299 PolarHBondContact NH2-O 3.08Å; R210-E301 IonicContact NH1-OE2 2.99Å; R210-E301 PolarHBondContact NH1-OE2 2.75Å; R210-W304 VanDerWaalsContact CB-CD1 3.46Å; R210-W304 HydrophobicContact CB-CD2 4.1Å; R210-W304 HydrophobicContact CB-CG 3.93Å; R210-W304 HydrophobicContact CB-CZ2 4.29Å; R210-W304 VanDerWaalsContact CB-NE1 3.27Å; R210-W304 HydrophobicContact CG-CD2 4.38Å; R210-W304 HydrophobicContact CG-CG 4.13Å
211P80.3Confident86.2Confident67 Ų6726.6 Ų26.644%0.43517%0.169SC..  trans-63.7141.5173.728.3-33.5000109.6W304P211-W304 PolarHBondContact O-NE1 3.3Å
212S79.8Confident85.9Confident23 Ų2326.6 Ų26.616%0.16117%0.169CC..  trans-123140.9174.1-64.90000109.5K215 W304S212-K215 PolarHBondContact O-N 3.36Å; S212-W304 PolarHBondContact OG-NE1 3.47Å
213P80.2Confident85.7Confident39 Ų3928.4 Ų28.425%0.25318%0.184SC..THydrogen-bonded Turntrans-50.3147.7171.2-24.434000111.7K215 S308 R309P213-K215 PolarHBondContact O-N 3.01Å; P213-S308 WeakPolarHBondContact CD-OG 3.36Å; P213-R309 HydrophobicContact CG-CG 3.84Å
214S78.4Confident85.7Confident32 Ų3232.1 Ų32.122%0.22420%0.198CC..THydrogen-bonded Turntrans63.66.7179.1-37.70000115.3N161N161-S214 PolarHBondContact OD1-OG 3.15Å
215K81.9Confident85.9Confident56 Ų5631.9 Ų31.924%0.24320%0.197CC..  trans-127.926.2-178-61.5-175.9-178.3-168.70113.4R157 S212 P213 L218 S219R157-K215 WeakPolarHBondContact O-CE 3.48Å; R157-K215 PolarHBondContact O-NZ 3.37Å; S212-K215 PolarHBondContact O-N 3.36Å; P213-K215 PolarHBondContact O-N 3.01Å; K215-L218 PolarHBondContact O-N 2.93Å; K215-S219 WeakPolarHBondContact O-CB 3.35Å; K215-S219 PolarHBondContact O-N 3.08Å
216A87.5Confident86.2Confident58 Ų5831.7 Ų31.748%0.47919%0.194SC..Hα-helixtrans-57.8-55.2-171.800000113.1F162 L218 S219 A220F162-A216 HydrophobicContact CD2-CB 4.26Å; A216-L218 PolarHBondContact O-N 3.18Å; A216-S219 PolarHBondContact O-N 3.38Å; A216-A220 VanDerWaalsContact O-CB 3.3Å; A216-A220 WeakPolarHBondContact O-CB 3.28Å; A216-A220 PolarHBondContact O-N 3.3Å
217A87.1Confident86.8Confident24 Ų2436.2 Ų36.220%0.19822%0.218CC..Hα-helixtrans-64.5-39.3-178.800000112.8L156 L170 S221L156-A217 HydrophobicContact CD1-CB 3.9Å; L170-A217 HydrophobicContact CD2-CB 3.89Å; A217-S221 WeakPolarHBondContact O-CB 3.29Å; A217-S221 PolarHBondContact O-N 3.14Å; A217-S221 PolarHBondContact O-OG 3.01Å
218L84.2Confident87.6Confident3 Ų337.2 Ų37.22%0.01622%0.219CC..Hα-helixtrans-68.1-45.1176.8-175.762.8000112.3V152 L156 K215 A216 A220 S221 T222V152-L218 HydrophobicContact CG1-CD1 4.17Å; L156-L218 HydrophobicContact CB-CB 4.05Å; L156-L218 HydrophobicContact CB-CD2 4.24Å; L156-L218 HydrophobicContact CD1-CB 4.34Å; K215-L218 PolarHBondContact O-N 2.93Å; A216-L218 PolarHBondContact O-N 3.18Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 3.33Å; L218-S221 WeakPolarHBondContact CA-OG 3.29Å; L218-S221 PolarHBondContact O-N 2.85Å; L218-S221 PolarHBondContact O-OG 3.39Å; L218-T222 HydrophobicContact CD1-CG2 4.35Å; L218-T222 WeakPolarHBondContact O-CB 3.49Å; L218-T222 VanDerWaalsContact O-CG2 3.28Å; L218-T222 WeakPolarHBondContact O-CG2 3.35Å; L218-T222 PolarHBondContact O-N 3.02Å; L218-T222 PolarHBondContact O-OG1 3.14Å
219S88Confident88.4Confident13 Ų1336.3 Ų36.39%0.09121%0.213CC..Hα-helixtrans-62.9-41.7176.5179.20000111A207 K215 A216 T222 A223A207-S219 PolarHBondContact O-OG 3.33Å; K215-S219 WeakPolarHBondContact O-CB 3.35Å; K215-S219 PolarHBondContact O-N 3.08Å; A216-S219 PolarHBondContact O-N 3.38Å; S219-T222 WeakPolarHBondContact CA-OG1 3.39Å; S219-T222 PolarHBondContact O-OG1 3.37Å; S219-A223 VanDerWaalsContact O-CB 3.29Å; S219-A223 WeakPolarHBondContact O-CB 3.44Å; S219-A223 PolarHBondContact O-N 3.47Å
220A90.8Very high89.1Confident62 Ų6237 Ų3751%0.51222%0.215SC..Hα-helixtrans-64.4-45.9176.800000112.6A216 L218 A223 Y224A216-A220 VanDerWaalsContact O-CB 3.3Å; A216-A220 WeakPolarHBondContact O-CB 3.28Å; A216-A220 PolarHBondContact O-N 3.3Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 3.33Å; A220-A223 PolarHBondContact O-N 2.99Å; A220-Y224 PolarHBondContact O-N 3.39Å
221S90.8Very high89.9Confident3 Ų337 Ų372%0.02122%0.223CC..Hα-helixtrans-65-42177.4560000112.1A217 L218 A223 Y224 L225A217-S221 WeakPolarHBondContact O-CB 3.29Å; A217-S221 PolarHBondContact O-N 3.14Å; A217-S221 PolarHBondContact O-OG 3.01Å; L218-S221 WeakPolarHBondContact CA-OG 3.29Å; L218-S221 PolarHBondContact O-N 2.85Å; L218-S221 PolarHBondContact O-OG 3.39Å; S221-A223 VanDerWaalsContact C-N 3.34Å; S221-A223 PolarHBondContact O-N 3.06Å; S221-Y224 VanDerWaalsContact O-CB 3.29Å; S221-Y224 WeakPolarHBondContact O-CB 3.25Å; S221-Y224 PolarHBondContact O-N 3.44Å; S221-Y224 VanDerWaalsContact O-N 3.17Å; S221-L225 WeakPolarHBondContact O-CD1 3.22Å; S221-L225 PolarHBondContact O-N 3.27Å
222T91.4Very high90.8Very high0 Ų034.4 Ų34.40%021%0.206CC..Hα-helixtrans-66.3-35.317654.50000112.3V152 S204 L218 S219 L225 D226V152-T222 HydrophobicContact CG1-CG2 3.94Å; V152-T222 HydrophobicContact CG2-CG2 4.39Å; S204-T222 VanDerWaalsContact OG-C 3.27Å; S204-T222 WeakPolarHBondContact OG-CA 3.48Å; S204-T222 VanDerWaalsContact OG-CB 3.25Å; S204-T222 WeakPolarHBondContact OG-CB 3.48Å; S204-T222 PolarHBondContact OG-O 2.92Å; L218-T222 HydrophobicContact CD1-CG2 4.35Å; L218-T222 WeakPolarHBondContact O-CB 3.49Å; L218-T222 VanDerWaalsContact O-CG2 3.28Å; L218-T222 WeakPolarHBondContact O-CG2 3.35Å; L218-T222 PolarHBondContact O-N 3.02Å; L218-T222 PolarHBondContact O-OG1 3.14Å; S219-T222 WeakPolarHBondContact CA-OG1 3.39Å; S219-T222 PolarHBondContact O-OG1 3.37Å; T222-L225 PolarHBondContact O-N 2.89Å; T222-D226 PolarHBondContact O-N 3.44Å
223A93.6Very high91.6Very high38 Ų3835.4 Ų35.431%0.31421%0.208SC..Hα-helixtrans-63.9-39.4170.500000112.7C208 S219 A220 S221 D226 N227C208-A223 HydrophobicContact CB-CB 4.37Å; S219-A223 VanDerWaalsContact O-CB 3.29Å; S219-A223 WeakPolarHBondContact O-CB 3.44Å; S219-A223 PolarHBondContact O-N 3.47Å; A220-A223 PolarHBondContact O-N 2.99Å; S221-A223 VanDerWaalsContact C-N 3.34Å; S221-A223 PolarHBondContact O-N 3.06Å; A223-D226 PolarHBondContact O-N 3.32Å; A223-N227 WeakPolarHBondContact O-CB 3.29Å; A223-N227 PolarHBondContact O-N 3.33Å
224Y95.6Very high92.4Very high81 Ų8140.2 Ų40.232%0.31823%0.226SC..Hα-helixtrans-56-51170.8174.6-86.2000110.7I178 T182 A220 S221 D226 N227 F228I178-Y224 HydrophobicContact CB-CD1 4.37Å; I178-Y224 HydrophobicContact CB-CE1 4.47Å; I178-Y224 HydrophobicContact CD1-CG 4.5Å; I178-Y224 HydrophobicContact CG1-CD1 4.13Å; I178-Y224 HydrophobicContact CG1-CG 4.28Å; I178-Y224 HydrophobicContact CG2-CD1 3.92Å; I178-Y224 HydrophobicContact CG2-CD2 4.23Å; I178-Y224 HydrophobicContact CG2-CE1 3.72Å; I178-Y224 HydrophobicContact CG2-CE2 4.03Å; I178-Y224 HydrophobicContact CG2-CG 4.18Å; T182-Y224 PolarHBondContact OG1-OH 2.96Å; A220-Y224 PolarHBondContact O-N 3.39Å; S221-Y224 VanDerWaalsContact O-CB 3.29Å; S221-Y224 WeakPolarHBondContact O-CB 3.25Å; S221-Y224 PolarHBondContact O-N 3.44Å; S221-Y224 VanDerWaalsContact O-N 3.17Å; Y224-D226 PolarHBondContact O-N 2.93Å; Y224-N227 PolarHBondContact O-N 2.91Å; Y224-F228 HydrophobicContact CD1-CB 4.36Å; Y224-F228 HydrophobicContact CE1-CB 4.06Å; Y224-F228 HydrophobicContact CE1-CD1 4.48Å; Y224-F228 HydrophobicContact CE1-CD2 4.4Å; Y224-F228 HydrophobicContact CE1-CG 4.09Å; Y224-F228 WeakPolarHBondContact O-CB 3.37Å; Y224-F228 PolarHBondContact O-N 2.82Å
225L94.9Very high93.3Very high0 Ų043.8 Ų43.80%024%0.24CC..Hα-helixtrans-61.6-42.5-179.3-84.684.1000113.1V152 N177 T181 N202 S221 T222 S229V152-L225 HydrophobicContact CG2-CD1 3.96Å; V152-L225 HydrophobicContact CG2-CD2 3.3Å; V152-L225 HydrophobicContact CG2-CG 4.23Å; N177-L225 HydrophobicContact CB-CD1 4.43Å; T181-L225 HydrophobicContact CG2-CD2 4.36Å; T181-L225 HydrophobicContact CG2-CG 4.28Å; N202-L225 HydrophobicContact CB-CD2 4.22Å; S221-L225 WeakPolarHBondContact O-CD1 3.22Å; S221-L225 PolarHBondContact O-N 3.27Å; T222-L225 PolarHBondContact O-N 2.89Å; L225-S229 VanDerWaalsContact O-CB 3.32Å; L225-S229 WeakPolarHBondContact O-CB 3.44Å; L225-S229 PolarHBondContact O-N 2.89Å; L225-S229 PolarHBondContact O-OG 2.93Å
226D95.6Very high94.1Very high10 Ų1044 Ų445%0.05324%0.24CC..Hα-helixtrans-61.7-48.2177.6177.667.1000111T222 A223 Y224 R230 S245 R282T222-D226 PolarHBondContact O-N 3.44Å; A223-D226 PolarHBondContact O-N 3.32Å; Y224-D226 PolarHBondContact O-N 2.93Å; D226-R230 WeakPolarHBondContact O-CD 3.48Å; D226-R230 VanDerWaalsContact O-CG 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.43Å; D226-R230 PolarHBondContact O-N 3.44Å; D226-R230 IonicContact OD2-NH1 3.54Å; D226-S245 PolarHBondContact OD1-OG 2.81Å; D226-R282 IonicContact OD1-CZ 3.61Å; D226-R282 IonicContact OD1-NE 3.43Å; D226-R282 PolarHBondContact OD1-NE 2.84Å; D226-R282 IonicContact OD1-NH2 3.8Å; D226-R282 PolarHBondContact OD1-NH2 3.3Å; D226-R282 IonicContact OD2-CZ 3.39Å; D226-R282 IonicContact OD2-NE 2.99Å; D226-R282 PolarHBondContact OD2-NE 3.41Å; D226-R282 IonicContact OD2-NH2 3.46Å; D226-R282 PolarHBondContact OD2-NH2 3.28Å
227N96.9Very high94.5Very high99 Ų9942.7 Ų42.753%0.52923%0.231SC..Hα-helixtrans-67.8-44.8-179.6-169.159.2000112.3A223 Y224 S229 R230 A231A223-N227 WeakPolarHBondContact O-CB 3.29Å; A223-N227 PolarHBondContact O-N 3.33Å; Y224-N227 PolarHBondContact O-N 2.91Å; N227-S229 VanDerWaalsContact C-N 3.33Å; N227-S229 PolarHBondContact O-N 3.48Å; N227-R230 PolarHBondContact O-N 3.43Å; N227-A231 PolarHBondContact O-N 3.44Å
228F97.8Very high95Very high37 Ų3753.1 Ų53.116%0.16227%0.265CS..Hα-helixtrans-55.3-47.2176.6178.4-112.9000111.5T181 T185 Y224 R230 A231 L232T181-F228 HydrophobicContact CG2-CD1 4.27Å; T181-F228 HydrophobicContact CG2-CE1 4.13Å; T185-F228 HydrophobicContact CG2-CE1 4.26Å; T185-F228 HydrophobicContact CG2-CZ 4.22Å; Y224-F228 HydrophobicContact CD1-CB 4.36Å; Y224-F228 HydrophobicContact CE1-CB 4.06Å; Y224-F228 HydrophobicContact CE1-CD1 4.48Å; Y224-F228 HydrophobicContact CE1-CD2 4.4Å; Y224-F228 HydrophobicContact CE1-CG 4.09Å; Y224-F228 WeakPolarHBondContact O-CB 3.37Å; Y224-F228 PolarHBondContact O-N 2.82Å; F228-R230 PolarHBondContact O-N 2.73Å; F228-A231 PolarHBondContact O-N 2.98Å; F228-L232 HydrophobicContact CD1-CD1 3.83Å; F228-L232 HydrophobicContact CD2-CD1 4.4Å; F228-L232 HydrophobicContact CE1-CD1 3.41Å; F228-L232 VanDerWaalsContact CE1-CD1 3.41Å; F228-L232 HydrophobicContact CE1-CG 4.45Å; F228-L232 HydrophobicContact CE2-CD1 4.02Å; F228-L232 HydrophobicContact CE2-CG 4.28Å; F228-L232 HydrophobicContact CG-CD1 4.32Å; F228-L232 HydrophobicContact CZ-CD1 3.53Å; F228-L232 HydrophobicContact CZ-CG 4.26Å; F228-L232 WeakPolarHBondContact O-CG 3.43Å; F228-L232 PolarHBondContact O-N 3.34Å
229S97.9Very high95.6Very high1 Ų156.7 Ų56.71%0.00728%0.282CS..Hα-helixtrans-62.5-41.2179-55.30000112.9N202 L225 N227 H233 V243N202-S229 WeakPolarHBondContact CB-OG 3.38Å; N202-S229 PolarHBondContact ND2-OG 3.17Å; L225-S229 VanDerWaalsContact O-CB 3.32Å; L225-S229 WeakPolarHBondContact O-CB 3.44Å; L225-S229 PolarHBondContact O-N 2.89Å; L225-S229 PolarHBondContact O-OG 2.93Å; N227-S229 VanDerWaalsContact C-N 3.33Å; N227-S229 PolarHBondContact O-N 3.48Å; S229-H233 WeakPolarHBondContact O-CB 3.44Å; S229-H233 PolarHBondContact O-N 3.31Å; S229-V243 VanDerWaalsContact O-CG1 3.3Å; S229-V243 WeakPolarHBondContact O-CG1 3.27Å
230R97.4Very high96Very high91 Ų9157.8 Ų57.834%0.34330%0.295SS..Hα-helixtrans-68.6-41.7179.7-70.1163.759-152.9-10.2111.3D226 N227 F228 H233 H234D226-R230 WeakPolarHBondContact O-CD 3.48Å; D226-R230 VanDerWaalsContact O-CG 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.43Å; D226-R230 PolarHBondContact O-N 3.44Å; D226-R230 IonicContact OD2-NH1 3.54Å; N227-R230 PolarHBondContact O-N 3.43Å; F228-R230 PolarHBondContact O-N 2.73Å; R230-H233 PolarHBondContact O-N 2.83Å; R230-H234 PolarHBondContact O-CD2 3.49Å; R230-H234 PolarHBondContact O-N 2.86Å; R230-H234 VanDerWaalsContact O-N 3.16Å
231A98.3Very high96.3Very high39 Ų3954.9 Ų54.932%0.32227%0.271SS..Hα-helixtrans-59.3-50.6174.100000111N227 F228 H233 H234 E235N227-A231 PolarHBondContact O-N 3.44Å; F228-A231 PolarHBondContact O-N 2.98Å; A231-H233 VanDerWaalsContact C-N 3.3Å; A231-H233 PolarHBondContact O-N 3.18Å; A231-H234 WeakPolarHBondContact O-CB 3.13Å; A231-H234 PolarHBondContact O-N 3.16Å; A231-E235 PolarHBondContact O-N 2.86Å
232L98.2Very high96.7Very high13 Ų1356 Ų567%0.06828%0.276CS..Hα-helixtrans-59.2-38.3176.6-72175.9000113.2T185 L189 F228 H234 E235 Y236 V243T185-L232 HydrophobicContact CG2-CD1 3.71Å; L189-L232 HydrophobicContact CD2-CD2 4.26Å; F228-L232 HydrophobicContact CD1-CD1 3.83Å; F228-L232 HydrophobicContact CD2-CD1 4.4Å; F228-L232 HydrophobicContact CE1-CD1 3.41Å; F228-L232 VanDerWaalsContact CE1-CD1 3.41Å; F228-L232 HydrophobicContact CE1-CG 4.45Å; F228-L232 HydrophobicContact CE2-CD1 4.02Å; F228-L232 HydrophobicContact CE2-CG 4.28Å; F228-L232 HydrophobicContact CG-CD1 4.32Å; F228-L232 HydrophobicContact CZ-CD1 3.53Å; F228-L232 HydrophobicContact CZ-CG 4.26Å; F228-L232 WeakPolarHBondContact O-CG 3.43Å; F228-L232 PolarHBondContact O-N 3.34Å; L232-H234 VanDerWaalsContact C-N 3.3Å; L232-H234 PolarHBondContact O-N 3.11Å; L232-E235 PolarHBondContact O-N 3.36Å; L232-Y236 HydrophobicContact CB-CD2 4.44Å; L232-Y236 HydrophobicContact CD2-CD2 3.87Å; L232-Y236 HydrophobicContact CD2-CE2 3.61Å; L232-Y236 WeakPolarHBondContact O-CD2 3.48Å; L232-Y236 PolarHBondContact O-N 3.27Å; L232-V243 HydrophobicContact CB-CB 4.48Å; L232-V243 HydrophobicContact CB-CG1 4.04Å; L232-V243 HydrophobicContact CB-CG2 4.14Å
233H97.7Very high97Very high44 Ų4456.1 Ų56.120%0.20428%0.276CS..Hα-helixtrans-60.1-41.7174.8-177.460.3000111.9S229 R230 A231 G237 V243 H281S229-H233 WeakPolarHBondContact O-CB 3.44Å; S229-H233 PolarHBondContact O-N 3.31Å; R230-H233 PolarHBondContact O-N 2.83Å; A231-H233 VanDerWaalsContact C-N 3.3Å; A231-H233 PolarHBondContact O-N 3.18Å; H233-G237 VanDerWaalsContact O-CA 3.27Å; H233-G237 WeakPolarHBondContact O-CA 3.25Å; H233-G237 PolarHBondContact O-N 3.39Å; H233-V243 HydrophobicContact CB-CB 4.05Å; H233-H281 HydrophobicContact CB-CB 4.49Å; H233-H281 AromaticContact CD2-CG 3.61Å; H233-H281 AromaticContact CD2-ND1 3.94Å; H233-H281 AromaticContact NE2-CG 3.75Å; H233-H281 AromaticContact NE2-ND1 3.72Å
234H97.6Very high97.2Very high140 Ų14054.3 Ų54.365%0.64826%0.261SS*.Hα-helixtrans-68.4-33177-71.7-59000112.9R230 A231 L232R230-H234 PolarHBondContact O-CD2 3.49Å; R230-H234 PolarHBondContact O-N 2.86Å; R230-H234 VanDerWaalsContact O-N 3.16Å; A231-H234 WeakPolarHBondContact O-CB 3.13Å; A231-H234 PolarHBondContact O-N 3.16Å; L232-H234 VanDerWaalsContact C-N 3.3Å; L232-H234 PolarHBondContact O-N 3.11Å
235E97.6Very high97.3Very high107 Ų10750.4 Ų50.450%0.525%0.246SC..Hα-helixtrans-77-45.2178.9-70.8174.7-150.100113.3A231 L232 Q239A231-E235 PolarHBondContact O-N 2.86Å; L232-E235 PolarHBondContact O-N 3.36Å; E235-Q239 PolarHBondContact O-NE2 3.38Å
236Y98.1Very high97.4Very high62 Ų6250.4 Ų50.424%0.24325%0.246CC..Hα-helixtrans-113.2-9.2-167.9-58.9-81.2000114.4L189 V193 L232 R238 Q239 G240 V241L189-Y236 HydrophobicContact CD1-CG 4.27Å; L189-Y236 HydrophobicContact CD2-CD1 4.27Å; L189-Y236 HydrophobicContact CD2-CD2 3.83Å; L189-Y236 HydrophobicContact CD2-CE1 4.03Å; L189-Y236 HydrophobicContact CD2-CE2 3.6Å; L189-Y236 HydrophobicContact CD2-CG 4.18Å; L189-Y236 HydrophobicContact CG-CD1 4.47Å; L189-Y236 HydrophobicContact CG-CE1 4.48Å; V193-Y236 HydrophobicContact CG2-CD1 3.6Å; V193-Y236 HydrophobicContact CG2-CE1 4.14Å; L232-Y236 HydrophobicContact CB-CD2 4.44Å; L232-Y236 HydrophobicContact CD2-CD2 3.87Å; L232-Y236 HydrophobicContact CD2-CE2 3.61Å; L232-Y236 WeakPolarHBondContact O-CD2 3.48Å; L232-Y236 PolarHBondContact O-N 3.27Å; Y236-R238 VanDerWaalsContact C-N 3.27Å; Y236-R238 PolarHBondContact O-N 3.26Å; Y236-Q239 CarbonylContact O-C 3.54Å; Y236-Q239 WeakPolarHBondContact O-CA 3.33Å; Y236-Q239 WeakPolarHBondContact O-CB 3.36Å; Y236-Q239 PolarHBondContact O-N 2.87Å; Y236-G240 PolarHBondContact O-N 3.02Å; Y236-V241 PolarHBondContact O-N 2.98Å
237G96.1Very high97.3Very high29 Ų2950 Ų5030%0.29924%0.244SC..G310 helixtrans-56.3-39.9178.200000113.3H233 Q239 G240 V241H233-G237 VanDerWaalsContact O-CA 3.27Å; H233-G237 WeakPolarHBondContact O-CA 3.25Å; H233-G237 PolarHBondContact O-N 3.39Å; G237-Q239 PolarHBondContact O-N 3.18Å; G237-G240 PolarHBondContact O-N 2.92Å; G237-V241 WeakPolarHBondContact CA-O 3.36Å
238R96Very high97.2Very high244 Ų24445.6 Ų45.692%0.92122%0.22SC*.G310 helixtrans-71.7-17.2175.5-72.4-177.9165.5147.6-3.9113.7Y236 G240Y236-R238 VanDerWaalsContact C-N 3.27Å; Y236-R238 PolarHBondContact O-N 3.26Å; R238-G240 VanDerWaalsContact C-N 3.29Å
239Q97.5Very high96.9Very high78 Ų7845.3 Ų45.336%0.36422%0.219SC..G310 helixtrans-91.26.1178.3-54.3-178.354.100111.9V193 R196 E235 Y236 G237V193-Q239 HydrophobicContact CG1-CB 4.48Å; R196-Q239 WeakPolarHBondContact CA-O 3.32Å; E235-Q239 PolarHBondContact O-NE2 3.38Å; Y236-Q239 CarbonylContact O-C 3.54Å; Y236-Q239 WeakPolarHBondContact O-CA 3.33Å; Y236-Q239 WeakPolarHBondContact O-CB 3.36Å; Y236-Q239 PolarHBondContact O-N 2.87Å; G237-Q239 PolarHBondContact O-N 3.18Å
240G95.9Very high96.5Very high35 Ų3550.2 Ų50.236%0.36124%0.242SC..THydrogen-bonded Turntrans91.5-0.3176.500000114.7R196 Y236 G237 R238R196-G240 WeakPolarHBondContact O-CA 3.4Å; Y236-G240 PolarHBondContact O-N 3.02Å; G237-G240 PolarHBondContact O-N 2.92Å; R238-G240 VanDerWaalsContact C-N 3.29Å
241V98.1Very high96.2Very high2 Ų247 Ų471%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-88.6121.8175.8-173.50000110L189 M192 V193 V200 Y236 G237 V243L189-V241 HydrophobicContact CD1-CB 4.41Å; L189-V241 HydrophobicContact CD1-CG1 3.83Å; L189-V241 HydrophobicContact CD1-CG2 4.24Å; M192-V241 HydrophobicContact CB-CG1 4.43Å; M192-V241 HydrophobicContact CB-CG2 3.84Å; M192-V241 HydrophobicContact SD-CG1 4.25Å; V193-V241 HydrophobicContact CG2-CG2 3.83Å; V200-V241 HydrophobicContact CG2-CG1 4.44Å; Y236-V241 PolarHBondContact O-N 2.98Å; G237-V241 WeakPolarHBondContact CA-O 3.36Å; V241-V243 HydrophobicContact CG1-CG2 4.15Å
242F98.1Very high95.9Very high27 Ų2745.5 Ų45.512%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-84.4128.8172.1-170.5-100.2000109.8F66 G198 A199 V200 Q244 L277 G278 S280F66-F242 HydrophobicContact CE1-CB 3.71Å; F66-F242 HydrophobicContact CE1-CG 4.43Å; F66-F242 HydrophobicContact CZ-CB 4.23Å; F66-F242 HydrophobicContact CZ-CG 4.49Å; G198-F242 PolarHBondContact O-N 2.84Å; A199-F242 CarbonylContact C-O 3.55Å; A199-F242 WeakPolarHBondContact CA-O 3.04Å; V200-F242 PolarHBondContact N-O 2.97Å; F242-Q244 HydrophobicContact CD1-CB 4.37Å; F242-Q244 HydrophobicContact CE1-CB 3.79Å; F242-Q244 HydrophobicContact CE1-CG 4.39Å; F242-L277 HydrophobicContact CD1-CD1 4.01Å; F242-L277 HydrophobicContact CE1-CD1 3.98Å; F242-G278 VanDerWaalsContact CE1-CA 3.48Å; F242-G278 VanDerWaalsContact CZ-N 3.29Å; F242-S280 WeakPolarHBondContact CZ-O 3.29Å
243V98.4Very high95.4Very high1 Ų148.3 Ų48.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-123129.2176.3-173.70000108.3V200 S229 L232 H233 V241 H281V200-V243 HydrophobicContact CB-CG1 4.2Å; V200-V243 HydrophobicContact CB-CG2 4.28Å; V200-V243 HydrophobicContact CG1-CG1 4.44Å; V200-V243 CarbonylContact O-C 3.15Å; V200-V243 WeakPolarHBondContact O-CA 3.29Å; S229-V243 VanDerWaalsContact O-CG1 3.3Å; S229-V243 WeakPolarHBondContact O-CG1 3.27Å; L232-V243 HydrophobicContact CB-CB 4.48Å; L232-V243 HydrophobicContact CB-CG1 4.04Å; L232-V243 HydrophobicContact CB-CG2 4.14Å; H233-V243 HydrophobicContact CB-CB 4.05Å; V241-V243 HydrophobicContact CG1-CG2 4.15Å; V243-H281 WeakPolarHBondContact O-CA 3.03Å; V243-H281 WeakPolarHBondContact O-CB 3.4Å
244Q98.1Very high94.8Very high0 Ų052.6 Ų52.60%026%0.259CS..EExtended strand (participates in β ladder)trans-125.6127.9-176.6-171.3175.164.300111.2V200 V201 N202 F242 L246 T276 S280 H281 T283V200-Q244 PolarHBondContact O-N 3.49Å; V201-Q244 WeakPolarHBondContact CA-O 3.25Å; V201-Q244 HydrophobicContact CG2-CB 4.4Å; N202-Q244 PolarHBondContact N-O 2.97Å; F242-Q244 HydrophobicContact CD1-CB 4.37Å; F242-Q244 HydrophobicContact CE1-CB 3.79Å; F242-Q244 HydrophobicContact CE1-CG 4.39Å; Q244-L246 HydrophobicContact CG-CD2 4.17Å; Q244-L246 HydrophobicContact CG-CG 4.23Å; Q244-T276 PolarHBondContact NE2-O 3.02Å; Q244-T276 PolarHBondContact NE2-OG1 3.13Å; Q244-S280 WeakPolarHBondContact CG-O 3.25Å; Q244-S280 PolarHBondContact NE2-O 2.92Å; Q244-H281 CarbonylContact C-O 3.47Å; Q244-H281 VanDerWaalsContact CA-O 3.31Å; Q244-H281 WeakPolarHBondContact CA-O 3.31Å; Q244-T283 HydrophobicContact CG-CG2 4.5Å
245S97.4Very high94Very high0 Ų049.1 Ų49.10%026%0.261CS..EExtended strand (participates in β ladder)trans-91.5118.3160.1-174.80000109.8D226 H281 R282 T283D226-S245 PolarHBondContact OD1-OG 2.81Å; S245-H281 PolarHBondContact N-O 3.43Å; S245-R282 WeakPolarHBondContact O-CA 3.29Å; S245-T283 PolarHBondContact O-N 3.21Å
246L96.6Very high93.3Very high0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-96127.4168.8-71.8179.4000109.3Y83 V201 N202 I203 S204 Q244 P248 A273 T283Y83-L246 HydrophobicContact CE2-CD1 3.83Å; V201-L246 HydrophobicContact CG1-CD1 3.46Å; V201-L246 VanDerWaalsContact CG1-CD1 3.46Å; V201-L246 HydrophobicContact CG1-CG 3.87Å; N202-L246 PolarHBondContact O-N 2.82Å; I203-L246 HydrophobicContact CG1-CB 4.28Å; I203-L246 HydrophobicContact CG1-CD1 4.05Å; S204-L246 WeakPolarHBondContact CA-O 3.42Å; S204-L246 WeakPolarHBondContact CB-O 3.13Å; S204-L246 PolarHBondContact N-O 2.94Å; Q244-L246 HydrophobicContact CG-CD2 4.17Å; Q244-L246 HydrophobicContact CG-CG 4.23Å; L246-P248 VanDerWaalsContact O-CD 3.25Å; L246-P248 WeakPolarHBondContact O-CD 3.44Å; L246-A273 HydrophobicContact CD1-CB 4.01Å; L246-T283 CarbonylContact C-O 3.48Å; L246-T283 VanDerWaalsContact CA-O 3.29Å; L246-T283 WeakPolarHBondContact CA-O 3.05Å; L246-T283 HydrophobicContact CD2-CG2 3.52Å
247V94.7Very high92Very high2 Ų249.3 Ų49.31%0.01229%0.285CS..  trans-121.966-174.8-167.50000109.7S205 T283 T284 F293S205-V247 VanDerWaalsContact C-CG1 3.48Å; S205-V247 VanDerWaalsContact O-CG1 3.31Å; S205-V247 WeakPolarHBondContact O-CG1 3.27Å; V247-T283 PolarHBondContact N-O 3.3Å; V247-T284 WeakPolarHBondContact O-CA 3.49Å; V247-T284 WeakPolarHBondContact O-CB 3.45Å; V247-T284 WeakPolarHBondContact O-CG2 3.33Å; V247-F293 HydrophobicContact CG1-CE2 4.2Å
248P94Very high90.4Very high5 Ų551.1 Ų51.13%0.03230%0.298CS..  trans-64.6152.2179.724.4-32.9000112.5I79 I203 S204 S205 G206 L246 V251 Y269I79-P248 HydrophobicContact CD1-CB 4.47Å; I79-P248 HydrophobicContact CD1-CG 4.25Å; I203-P248 HydrophobicContact CG2-CG 3.9Å; S204-P248 VanDerWaalsContact O-CD 3.29Å; S204-P248 WeakPolarHBondContact O-CD 3.28Å; S204-P248 WeakPolarHBondContact O-CG 3.41Å; S205-P248 CarbonylContact C-O 3.52Å; S205-P248 WeakPolarHBondContact CA-O 3.19Å; G206-P248 PolarHBondContact N-O 3.26Å; L246-P248 VanDerWaalsContact O-CD 3.25Å; L246-P248 WeakPolarHBondContact O-CD 3.44Å; P248-V251 HydrophobicContact CB-CG2 4.32Å; P248-Y269 HydrophobicContact CB-CE2 3.71Å; P248-Y269 WeakPolarHBondContact CB-OH 3.37Å
249F91.6Very high89.1Confident31 Ų3142.1 Ų42.114%0.13628%0.28CS..  trans-91.3-157.8158.6-73.4-102.1000109V251 T284 H289 Q292 F293 V296F249-V251 PolarHBondContact O-N 3.11Å; F249-T284 HydrophobicContact CE2-CG2 4.44Å; F249-H289 HydrophobicContact CB-CB 4.5Å; F249-H289 HydrophobicContact CD2-CB 3.87Å; F249-H289 PolarHBondContact N-CE1 3.44Å; F249-H289 PolarHBondContact N-ND1 2.94Å; F249-Q292 HydrophobicContact CD1-CB 4.47Å; F249-Q292 HydrophobicContact CD2-CB 4.31Å; F249-Q292 HydrophobicContact CE1-CB 4.38Å; F249-Q292 HydrophobicContact CE2-CB 4.21Å; F249-Q292 HydrophobicContact CG-CB 4.44Å; F249-Q292 HydrophobicContact CZ-CB 4.24Å; F249-F293 HydrophobicContact CE2-CB 3.81Å; F249-F293 AromaticContact CE2-CD2 3.95Å; F249-F293 HydrophobicContact CE2-CD2 3.95Å; F249-F293 HydrophobicContact CE2-CG 4.39Å; F249-F293 HydrophobicContact CZ-CB 4.21Å; F249-F293 HydrophobicContact CZ-CD2 4.08Å; F249-V296 HydrophobicContact CE1-CG2 4.2Å; F249-V296 HydrophobicContact CZ-CG2 4.3Å
250Q89.9Confident88.5Confident104 Ų10440.4 Ų40.449%0.48628%0.284SS..  trans-59.9130.3-177.9-168.4172.9-21.700111.3I263 H289Q250-I263 HydrophobicContact CB-CG1 4.26Å; Q250-I263 HydrophobicContact CB-CG2 4.41Å; Q250-I263 HydrophobicContact CG-CD1 4.36Å; Q250-I263 HydrophobicContact CG-CG1 4.37Å; Q250-I263 HydrophobicContact CG-CG2 3.98Å; Q250-H289 PolarHBondContact O-CE1 3.15Å; Q250-H289 PolarHBondContact O-NE2 3.21Å
251V90.9Very high88.1Confident24 Ų2445.2 Ų45.215%0.14529%0.291CS..  trans-126132.9175.8178.50000107I79 P248 F249 P264 Y269I79-V251 HydrophobicContact CD1-CB 3.96Å; I79-V251 HydrophobicContact CD1-CG1 4.41Å; I79-V251 HydrophobicContact CD1-CG2 3.87Å; I79-V251 HydrophobicContact CG1-CB 4.11Å; I79-V251 HydrophobicContact CG1-CG1 4.05Å; I79-V251 HydrophobicContact CG1-CG2 4.39Å; P248-V251 HydrophobicContact CB-CG2 4.32Å; F249-V251 PolarHBondContact O-N 3.11Å; V251-P264 WeakPolarHBondContact CG1-O 3.33Å; V251-P264 HydrophobicContact CG2-CG 4.3Å; V251-Y269 HydrophobicContact CG1-CG 4.28Å; V251-Y269 HydrophobicContact CG2-CD1 4.37Å; V251-Y269 HydrophobicContact CG2-CD2 3.73Å; V251-Y269 HydrophobicContact CG2-CE2 4.26Å; V251-Y269 HydrophobicContact CG2-CG 3.82Å
252A91.4Very high87.8Confident7 Ų748.3 Ų48.36%0.05831%0.307CS..BIsolated β-bridgetrans-84.6140.3177.300000110.4A256 A258 I263 P264 Q265 S266A252-A256 HydrophobicContact CB-CB 4.35Å; A252-A258 WeakPolarHBondContact CB-O 3.49Å; A252-I263 HydrophobicContact CB-CG2 4.04Å; A252-P264 PolarHBondContact N-O 3.36Å; A252-Q265 CarbonylContact O-C 3.49Å; A252-Q265 WeakPolarHBondContact O-CA 3.48Å; A252-S266 PolarHBondContact O-N 3.31Å
253P88.6Confident87.5Confident73 Ų7349.4 Ų49.447%0.47431%0.314SS..PPolyproline II helixtrans-55.8150.2168.3-22.433.1000111.3A78 G255 A256 Q265A78-P253 HydrophobicContact CB-CB 4.02Å; A78-P253 HydrophobicContact CB-CG 4.28Å; P253-G255 PolarHBondContact O-N 3.42Å; P253-A256 VanDerWaalsContact O-CB 3.25Å; P253-A256 WeakPolarHBondContact O-CB 3.24Å; P253-A256 PolarHBondContact O-N 3.46Å; P253-A256 VanDerWaalsContact O-N 3.14Å; P253-Q265 PolarHBondContact O-OE1 3.44Å
254H85.1Confident87.3Confident134 Ų13449.6 Ų49.662%0.6232%0.315SS*.THydrogen-bonded Turntrans-58.6131.6177-17480.2000111.2A256 S266 D267H254-A256 VanDerWaalsContact C-N 3.29Å; H254-A256 PolarHBondContact O-N 3.12Å; H254-S266 PolarHBondContact N-OG 2.86Å; H254-S266 VanDerWaalsContact N-OG 3.15Å; H254-D267 IonicContact CE1-OD1 3.59Å; H254-D267 IonicContact ND1-OD1 2.89Å; H254-D267 PolarHBondContact ND1-OD1 2.53Å
255G80.3Confident87.1Confident67 Ų6751.5 Ų51.569%0.69132%0.324SS*.THydrogen-bonded Turntrans81.70.6-179.400000114.6P253P253-G255 PolarHBondContact O-N 3.42Å
256A82.1Confident87Confident38 Ų3851.8 Ų51.831%0.31433%0.326SS..  trans-70.7137.2174.500000111.1A252 P253 H254 A258 Q265A252-A256 HydrophobicContact CB-CB 4.35Å; P253-A256 VanDerWaalsContact O-CB 3.25Å; P253-A256 WeakPolarHBondContact O-CB 3.24Å; P253-A256 PolarHBondContact O-N 3.46Å; P253-A256 VanDerWaalsContact O-N 3.14Å; H254-A256 VanDerWaalsContact C-N 3.29Å; H254-A256 PolarHBondContact O-N 3.12Å; A256-A258 VanDerWaalsContact C-N 3.26Å; A256-A258 PolarHBondContact O-N 3.05Å; A256-Q265 PolarHBondContact O-NE2 2.8Å
257S70.6Confident86.9Confident135 Ų13553.6 Ų53.694%0.94434%0.335SS*.SBendtrans-69.3-21.6177.847.10000113.7G259S257-G259 PolarHBondContact O-N 3.36Å
258A63.9Low86.9Confident67 Ų6755.6 Ų55.655%0.55435%0.348SS*.  trans-81.4105.217300000109.9A252 A256A252-A258 WeakPolarHBondContact CB-O 3.49Å; A256-A258 VanDerWaalsContact C-N 3.26Å; A256-A258 PolarHBondContact O-N 3.05Å
259G67.6Low87Confident54 Ų5455.3 Ų55.356%0.55735%0.346SS*.  trans-150.9154.7177.900000111.7S257S257-G259 PolarHBondContact O-N 3.36Å
260G84.6Confident87.2Confident42 Ų4253.9 Ų53.943%0.43334%0.339SS..BIsolated β-bridgetrans-169.9175.8176.200000111.7L262 I263G260-L262 PolarHBondContact O-N 3.15Å; G260-L262 VanDerWaalsContact O-N 3.14Å; G260-I263 PolarHBondContact N-O 3.15Å; G260-I263 CarbonylContact O-C 3.14Å; G260-I263 PolarHBondContact O-N 2.95Å
261W88.8Confident87.5Confident136 Ų13654.4 Ų54.452%0.51534%0.337SS..THydrogen-bonded Turntrans-57.4-33.5-179.1175.365.1000113.1Y286 W287 P288 L291W261-Y286 VanDerWaalsContact O-CE1 3.27Å; W261-Y286 WeakPolarHBondContact O-CE1 3.45Å; W261-Y286 PolarHBondContact O-OH 3.4Å; W261-W287 AromaticContact CE2-CH2 3.63Å; W261-W287 AromaticContact CE2-CZ2 4Å; W261-W287 HydrophobicContact CH2-CZ3 4.45Å; W261-W287 HydrophobicContact CZ2-CE3 4.32Å; W261-W287 AromaticContact CZ2-CH2 3.33Å; W261-W287 HydrophobicContact CZ2-CH2 3.33Å; W261-W287 HydrophobicContact CZ2-CZ2 4.13Å; W261-W287 AromaticContact CZ2-CZ3 3.44Å; W261-W287 HydrophobicContact CZ2-CZ3 3.44Å; W261-W287 VanDerWaalsContact CZ2-CZ3 3.44Å; W261-W287 AromaticContact NE1-CH2 3.36Å; W261-W287 AromaticContact NE1-CZ2 3.26Å; W261-W287 VanDerWaalsContact NE1-CZ2 3.26Å; W261-P288 HydrophobicContact CD2-CB 4.2Å; W261-P288 HydrophobicContact CD2-CG 4.35Å; W261-P288 HydrophobicContact CH2-CB 4.32Å; W261-P288 HydrophobicContact CZ2-CB 3.82Å; W261-P288 HydrophobicContact CZ2-CG 3.97Å; W261-L291 HydrophobicContact CH2-CD1 3.85Å; W261-L291 HydrophobicContact CZ2-CD1 4.09Å
262L91.2Very high87.7Confident68 Ų6854.7 Ų54.736%0.35634%0.337SS..THydrogen-bonded Turntrans-88.2-14.9177.4-71.3-175.7000114.5G260 P288 H289 Q292G260-L262 PolarHBondContact O-N 3.15Å; G260-L262 VanDerWaalsContact O-N 3.14Å; L262-P288 HydrophobicContact CD2-CB 4.04Å; L262-H289 PolarHBondContact O-CD2 2.78Å; L262-H289 PolarHBondContact O-NE2 3.43Å; L262-Q292 VanDerWaalsContact CB-NE2 3.34Å; L262-Q292 HydrophobicContact CD2-CG 3.91Å
263I92.3Very high87.9Confident49 Ų4954.3 Ų54.325%0.25133%0.334SS..BIsolated β-bridgetrans-12880.4-177.9-54.1174.2000106.9Q250 A252 G260Q250-I263 HydrophobicContact CB-CG1 4.26Å; Q250-I263 HydrophobicContact CB-CG2 4.41Å; Q250-I263 HydrophobicContact CG-CD1 4.36Å; Q250-I263 HydrophobicContact CG-CG1 4.37Å; Q250-I263 HydrophobicContact CG-CG2 3.98Å; A252-I263 HydrophobicContact CB-CG2 4.04Å; G260-I263 PolarHBondContact N-O 3.15Å; G260-I263 CarbonylContact O-C 3.14Å; G260-I263 PolarHBondContact O-N 2.95Å
264P94.1Very high88.2Confident6 Ų651.4 Ų51.44%0.03931%0.314CS..  trans-68.1156.7-179.932.2-37.3000110.4V251 A252 V268 Y269 Y286 H289V251-P264 WeakPolarHBondContact CG1-O 3.33Å; V251-P264 HydrophobicContact CG2-CG 4.3Å; A252-P264 PolarHBondContact N-O 3.36Å; P264-V268 HydrophobicContact CB-CB 4.41Å; P264-V268 HydrophobicContact CB-CG1 4.35Å; P264-Y269 HydrophobicContact CG-CD2 4.3Å; P264-Y286 HydrophobicContact CB-CD1 4.16Å; P264-Y286 HydrophobicContact CB-CD2 4.47Å; P264-Y286 HydrophobicContact CB-CE1 3.77Å; P264-Y286 HydrophobicContact CB-CE2 4.14Å; P264-Y286 HydrophobicContact CG-CD1 3.53Å; P264-Y286 HydrophobicContact CG-CD2 4.44Å; P264-Y286 HydrophobicContact CG-CE1 3.57Å; P264-Y286 HydrophobicContact CG-CE2 4.5Å; P264-Y286 HydrophobicContact CG-CG 4.04Å; P264-H289 WeakPolarHBondContact CD-NE2 3.05Å
265Q94Very high88.7Confident40 Ų4046.2 Ų46.219%0.18729%0.293CS..BIsolated β-bridgetrans-68.1151.2164.3-62.8-81.1-61.600109.8A252 P253 A256 D267 V268 Y269A252-Q265 CarbonylContact O-C 3.49Å; A252-Q265 WeakPolarHBondContact O-CA 3.48Å; P253-Q265 PolarHBondContact O-OE1 3.44Å; A256-Q265 PolarHBondContact O-NE2 2.8Å; Q265-D267 VanDerWaalsContact C-N 3.28Å; Q265-D267 VanDerWaalsContact CB-OD1 3.28Å; Q265-D267 WeakPolarHBondContact CB-OD1 3.43Å; Q265-D267 PolarHBondContact O-N 3.29Å; Q265-V268 HydrophobicContact CB-CG2 4.42Å; Q265-V268 PolarHBondContact O-N 2.97Å; Q265-V268 VanDerWaalsContact O-N 3.14Å; Q265-Y269 PolarHBondContact O-N 2.63Å
266S94.4Very high89.4Confident5 Ų543 Ų434%0.03526%0.26CS..Hα-helixtrans-55.5-36.6-176.656.10000114.3A78 A82 A252 H254 Y269 A270A78-S266 WeakPolarHBondContact O-CB 3.44Å; A82-S266 VanDerWaalsContact CB-C 3.45Å; A82-S266 VanDerWaalsContact CB-O 3.31Å; A82-S266 WeakPolarHBondContact CB-O 3.45Å; A252-S266 PolarHBondContact O-N 3.31Å; H254-S266 PolarHBondContact N-OG 2.86Å; H254-S266 VanDerWaalsContact N-OG 3.15Å; S266-Y269 PolarHBondContact O-N 3.11Å; S266-A270 VanDerWaalsContact O-CB 3.31Å; S266-A270 WeakPolarHBondContact O-CB 3.37Å; S266-A270 PolarHBondContact O-N 3.37Å
267D94.5Very high90Very high38 Ų3841.4 Ų41.420%0.20325%0.246CC..Hα-helixtrans-69-41.9176.964.2-68.9000112.5H254 Q265 Y269 A270 R271H254-D267 IonicContact CE1-OD1 3.59Å; H254-D267 IonicContact ND1-OD1 2.89Å; H254-D267 PolarHBondContact ND1-OD1 2.53Å; Q265-D267 VanDerWaalsContact C-N 3.28Å; Q265-D267 VanDerWaalsContact CB-OD1 3.28Å; Q265-D267 WeakPolarHBondContact CB-OD1 3.43Å; Q265-D267 PolarHBondContact O-N 3.29Å; D267-Y269 VanDerWaalsContact C-N 3.34Å; D267-A270 PolarHBondContact O-N 2.77Å; D267-R271 WeakPolarHBondContact O-CB 3.31Å; D267-R271 PolarHBondContact O-N 3.39Å; D267-R271 IonicContact OD2-NH2 3.98Å
268V94.8Very high91.1Very high44 Ų4435.6 Ų35.627%0.26721%0.207SC..Hα-helixtrans-64.3-43.9174.8177.90000109.9P264 Q265 H272 Y286P264-V268 HydrophobicContact CB-CB 4.41Å; P264-V268 HydrophobicContact CB-CG1 4.35Å; Q265-V268 HydrophobicContact CB-CG2 4.42Å; Q265-V268 PolarHBondContact O-N 2.97Å; Q265-V268 VanDerWaalsContact O-N 3.14Å; V268-H272 PolarHBondContact O-CD2 2.9Å; V268-H272 PolarHBondContact O-N 3.47Å; V268-H272 VanDerWaalsContact O-N 3.12Å; V268-Y286 HydrophobicContact CG1-CE2 4.36Å
269Y96.2Very high92.5Very high0 Ų035.2 Ų35.20%020%0.196CC..Hα-helixtrans-60.3-50.3176175.8-92.2000111.4I79 P248 V251 P264 Q265 S266 D267 R271 H272 A273 T284 Y286I79-Y269 HydrophobicContact CD1-CE1 4.49Å; I79-Y269 HydrophobicContact CG2-CD1 3.81Å; I79-Y269 HydrophobicContact CG2-CE1 3.61Å; P248-Y269 HydrophobicContact CB-CE2 3.71Å; P248-Y269 WeakPolarHBondContact CB-OH 3.37Å; V251-Y269 HydrophobicContact CG1-CG 4.28Å; V251-Y269 HydrophobicContact CG2-CD1 4.37Å; V251-Y269 HydrophobicContact CG2-CD2 3.73Å; V251-Y269 HydrophobicContact CG2-CE2 4.26Å; V251-Y269 HydrophobicContact CG2-CG 3.82Å; P264-Y269 HydrophobicContact CG-CD2 4.3Å; Q265-Y269 PolarHBondContact O-N 2.63Å; S266-Y269 PolarHBondContact O-N 3.11Å; D267-Y269 VanDerWaalsContact C-N 3.34Å; Y269-R271 PolarHBondContact O-N 2.62Å; Y269-H272 CarbonylContact O-C 3.49Å; Y269-H272 WeakPolarHBondContact O-CB 3.4Å; Y269-H272 PolarHBondContact O-N 2.98Å; Y269-H272 VanDerWaalsContact O-N 3.1Å; Y269-A273 HydrophobicContact CD1-CB 4.46Å; Y269-A273 HydrophobicContact CE1-CB 3.98Å; Y269-A273 WeakPolarHBondContact O-CB 3.39Å; Y269-A273 PolarHBondContact O-N 3.28Å; Y269-T284 WeakPolarHBondContact CE2-O 3.29Å; Y269-T284 PolarHBondContact OH-O 3.16Å; Y269-Y286 HydrophobicContact CD2-CG 4.44Å
270A96.3Very high93.8Very high0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-58.6-45.6-178.600000112.2A82 E86 S266 D267 H272 A273 I274A82-A270 VanDerWaalsContact C-CB 3.46Å; A82-A270 HydrophobicContact CB-CB 3.8Å; A82-A270 WeakPolarHBondContact O-CB 3.07Å; E86-A270 HydrophobicContact CB-CB 4.22Å; S266-A270 VanDerWaalsContact O-CB 3.31Å; S266-A270 WeakPolarHBondContact O-CB 3.37Å; S266-A270 PolarHBondContact O-N 3.37Å; D267-A270 PolarHBondContact O-N 2.77Å; A270-H272 VanDerWaalsContact C-N 3.29Å; A270-H272 PolarHBondContact O-N 2.97Å; A270-A273 PolarHBondContact O-N 2.83Å; A270-I274 PolarHBondContact O-N 3.44Å
271R95.1Very high94.3Very high115 Ų11535 Ų3543%0.43417%0.17SC..Hα-helixtrans-58.3-41.7174.8-168.1-178.1-56130.411.2112.3D267 Y269 S275D267-R271 WeakPolarHBondContact O-CB 3.31Å; D267-R271 PolarHBondContact O-N 3.39Å; D267-R271 IonicContact OD2-NH2 3.98Å; Y269-R271 PolarHBondContact O-N 2.62Å; R271-S275 PolarHBondContact O-N 2.91Å
272H95.4Very high94.6Very high30 Ų3031.6 Ų31.614%0.13916%0.157CC..Hα-helixtrans-68.5-45.1175.9-78.4-133.2000111.2R55 V268 Y269 A270 S275 G285 Y286 W287R55-H272 PolarHBondContact NH1-CE1 2.95Å; R55-H272 PolarHBondContact NH2-CE1 2.87Å; R55-H272 VanDerWaalsContact NH2-CE1 3.3Å; R55-H272 PolarHBondContact NH2-ND1 3.21Å; V268-H272 PolarHBondContact O-CD2 2.9Å; V268-H272 PolarHBondContact O-N 3.47Å; V268-H272 VanDerWaalsContact O-N 3.12Å; Y269-H272 CarbonylContact O-C 3.49Å; Y269-H272 WeakPolarHBondContact O-CB 3.4Å; Y269-H272 PolarHBondContact O-N 2.98Å; Y269-H272 VanDerWaalsContact O-N 3.1Å; A270-H272 VanDerWaalsContact C-N 3.29Å; A270-H272 PolarHBondContact O-N 2.97Å; H272-S275 PolarHBondContact O-N 2.89Å; H272-S275 PolarHBondContact O-OG 3.12Å; H272-G285 CarbonylContact C-O 3.53Å; H272-G285 WeakPolarHBondContact CB-O 3.36Å; H272-Y286 HydrophobicContact CB-CD2 3.97Å; H272-Y286 AromaticContact CE1-CD2 3.95Å; H272-Y286 AromaticContact CE1-CE2 3.74Å; H272-Y286 AromaticContact CG-CD2 3.68Å; H272-Y286 AromaticContact ND1-CD2 3.24Å; H272-Y286 WeakPolarHBondContact ND1-CD2 3.33Å; H272-Y286 AromaticContact ND1-CE2 3.52Å; H272-W287 AromaticContact CE1-CD1 3.94Å; H272-W287 AromaticContact ND1-CD1 3.9Å
273A96.4Very high94.8Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-62.1-47.9-178.900000112.1Y83 L246 Y269 A270 S275 T276 G285Y83-A273 HydrophobicContact CD2-CB 4.38Å; Y83-A273 HydrophobicContact CE2-CB 3.93Å; L246-A273 HydrophobicContact CD1-CB 4.01Å; Y269-A273 HydrophobicContact CD1-CB 4.46Å; Y269-A273 HydrophobicContact CE1-CB 3.98Å; Y269-A273 WeakPolarHBondContact O-CB 3.39Å; Y269-A273 PolarHBondContact O-N 3.28Å; A270-A273 PolarHBondContact O-N 2.83Å; A273-S275 VanDerWaalsContact C-N 3.26Å; A273-S275 PolarHBondContact O-N 3.31Å; A273-T276 WeakPolarHBondContact O-CB 3.45Å; A273-T276 PolarHBondContact O-N 3.5Å; A273-T276 PolarHBondContact O-OG1 2.71Å; A273-G285 PolarHBondContact N-O 3.42Å
274I95.4Very high95Very high11 Ų1126.9 Ų26.96%0.05613%0.133CC..Hα-helixtrans-62.7-33.6178.1-77.2163.7000111.8L62 Y83 E86 L87 A270 T276 L277L62-I274 HydrophobicContact CD1-CG2 3.74Å; Y83-I274 HydrophobicContact CD1-CD1 3.93Å; Y83-I274 HydrophobicContact CD1-CG1 4.23Å; Y83-I274 HydrophobicContact CD2-CD1 4.29Å; Y83-I274 HydrophobicContact CD2-CG1 4.18Å; Y83-I274 HydrophobicContact CE1-CD1 3.86Å; Y83-I274 HydrophobicContact CE1-CG1 3.7Å; Y83-I274 HydrophobicContact CE2-CD1 4.22Å; Y83-I274 HydrophobicContact CE2-CG1 3.65Å; Y83-I274 HydrophobicContact CG-CD1 4.15Å; Y83-I274 HydrophobicContact CG-CG1 4.45Å; E86-I274 HydrophobicContact CB-CD1 3.51Å; E86-I274 HydrophobicContact CG-CB 4.23Å; E86-I274 HydrophobicContact CG-CD1 3.3Å; E86-I274 HydrophobicContact CG-CG1 4.3Å; L87-I274 HydrophobicContact CD2-CD1 4.05Å; L87-I274 HydrophobicContact CD2-CG1 4.41Å; L87-I274 HydrophobicContact CG-CD1 3.9Å; A270-I274 PolarHBondContact O-N 3.44Å; I274-T276 PolarHBondContact O-N 2.74Å; I274-T276 VanDerWaalsContact O-N 3.13Å; I274-L277 WeakPolarHBondContact O-CB 3.3Å; I274-L277 PolarHBondContact O-N 2.92Å
275S94.1Very high95Very high26 Ų2626.6 Ų26.618%0.18213%0.132CC..Hα-helixtrans-63.3-18.6174.574.70000113.8P54 R271 H272 A273 I279P54-S275 WeakPolarHBondContact CB-O 3.33Å; R271-S275 PolarHBondContact O-N 2.91Å; H272-S275 PolarHBondContact O-N 2.89Å; H272-S275 PolarHBondContact O-OG 3.12Å; A273-S275 VanDerWaalsContact C-N 3.26Å; A273-S275 PolarHBondContact O-N 3.31Å; S275-I279 WeakPolarHBondContact O-CD1 3.16Å
276T95.4Very high95.1Very high0 Ų025.4 Ų25.40%013%0.126CC..THydrogen-bonded Turntrans-91.4-10.2175.274.80000113.5V50 Q244 A273 I274 G278 I279 S280 T283V50-T276 HydrophobicContact CG1-CG2 3.8Å; Q244-T276 PolarHBondContact NE2-O 3.02Å; Q244-T276 PolarHBondContact NE2-OG1 3.13Å; A273-T276 WeakPolarHBondContact O-CB 3.45Å; A273-T276 PolarHBondContact O-N 3.5Å; A273-T276 PolarHBondContact O-OG1 2.71Å; I274-T276 PolarHBondContact O-N 2.74Å; I274-T276 VanDerWaalsContact O-N 3.13Å; T276-G278 PolarHBondContact O-N 3.42Å; T276-I279 WeakPolarHBondContact O-CB 3.33Å; T276-I279 PolarHBondContact O-N 2.81Å; T276-I279 VanDerWaalsContact O-N 3.09Å; T276-S280 PolarHBondContact O-N 3.43Å; T276-T283 HydrophobicContact CG2-CG2 4.38Å; T276-T283 WeakPolarHBondContact OG1-CG2 3.22Å
277L94.9Very high95.1Very high4 Ų428.2 Ų28.22%0.02114%0.136CC..THydrogen-bonded Turntrans-65.9128.9-174.8-173.562.4000110.6F66 F147 A199 V201 F242 I274 I279F66-L277 HydrophobicContact CE2-CD2 4.36Å; F66-L277 HydrophobicContact CE2-CG 4.23Å; F147-L277 HydrophobicContact CD1-CD2 4.06Å; F147-L277 HydrophobicContact CE1-CD2 3.81Å; A199-L277 HydrophobicContact CB-CD1 4.36Å; V201-L277 HydrophobicContact CG2-CD1 3.49Å; V201-L277 VanDerWaalsContact CG2-CD1 3.49Å; F242-L277 HydrophobicContact CD1-CD1 4.01Å; F242-L277 HydrophobicContact CE1-CD1 3.98Å; I274-L277 WeakPolarHBondContact O-CB 3.3Å; I274-L277 PolarHBondContact O-N 2.92Å; L277-I279 VanDerWaalsContact C-N 3.29Å; L277-I279 PolarHBondContact O-N 3.46Å
278G92.6Very high95.1Very high12 Ų1226.4 Ų26.412%0.12413%0.126CC..THydrogen-bonded Turntrans78.47.5-175.800000114.9R65 F242 T276R65-G278 PolarHBondContact NH1-O 3.02Å; R65-G278 PolarHBondContact NH2-O 3.43Å; F242-G278 VanDerWaalsContact CE1-CA 3.48Å; F242-G278 VanDerWaalsContact CZ-N 3.29Å; T276-G278 PolarHBondContact O-N 3.42Å
279I93.4Very high95.2Very high60 Ų6024.3 Ų24.331%0.30811%0.113SC..THydrogen-bonded Turntrans-115.8-45.9177.4-63.8141.1000111.3V50 P54 S275 T276 L277V50-I279 HydrophobicContact CG2-CG2 4.28Å; P54-I279 HydrophobicContact CB-CD1 3.67Å; P54-I279 HydrophobicContact CG-CD1 3.3Å; P54-I279 HydrophobicContact CG-CG1 4.41Å; S275-I279 WeakPolarHBondContact O-CD1 3.16Å; T276-I279 WeakPolarHBondContact O-CB 3.33Å; T276-I279 PolarHBondContact O-N 2.81Å; T276-I279 VanDerWaalsContact O-N 3.09Å; L277-I279 VanDerWaalsContact C-N 3.29Å; L277-I279 PolarHBondContact O-N 3.46Å
280S94.9Very high95Very high16 Ų1625.3 Ų25.311%0.11212%0.119CC..  trans-123.3128.9176.4-1640000111.4F242 Q244 T276 R282F242-S280 WeakPolarHBondContact CZ-O 3.29Å; Q244-S280 WeakPolarHBondContact CG-O 3.25Å; Q244-S280 PolarHBondContact NE2-O 2.92Å; T276-S280 PolarHBondContact O-N 3.43Å; S280-R282 VanDerWaalsContact C-N 3.26Å; S280-R282 PolarHBondContact O-N 3.28Å; S280-R282 PolarHBondContact OG-N 3.16Å; S280-R282 PolarHBondContact OG-O 3.17Å
281H95.8Very high94.9Very high74 Ų7428.7 Ų28.734%0.34314%0.137SC..SBendtrans-76.6-13.2174.462.4-93.3000112.8H233 V243 Q244 S245H233-H281 HydrophobicContact CB-CB 4.49Å; H233-H281 AromaticContact CD2-CG 3.61Å; H233-H281 AromaticContact CD2-ND1 3.94Å; H233-H281 AromaticContact NE2-CG 3.75Å; H233-H281 AromaticContact NE2-ND1 3.72Å; V243-H281 WeakPolarHBondContact O-CA 3.03Å; V243-H281 WeakPolarHBondContact O-CB 3.4Å; Q244-H281 CarbonylContact C-O 3.47Å; Q244-H281 VanDerWaalsContact CA-O 3.31Å; Q244-H281 WeakPolarHBondContact CA-O 3.31Å; S245-H281 PolarHBondContact N-O 3.43Å
282R95.7Very high94.7Very high66 Ų6625 Ų2525%0.24912%0.124CC..EExtended strand (participates in β ladder)trans-143.1121.8174.2-168.4-175.2-168.1-147.84.7109.4D226 S245 S280D226-R282 IonicContact OD1-CZ 3.61Å; D226-R282 IonicContact OD1-NE 3.43Å; D226-R282 PolarHBondContact OD1-NE 2.84Å; D226-R282 IonicContact OD1-NH2 3.8Å; D226-R282 PolarHBondContact OD1-NH2 3.3Å; D226-R282 IonicContact OD2-CZ 3.39Å; D226-R282 IonicContact OD2-NE 2.99Å; D226-R282 PolarHBondContact OD2-NE 3.41Å; D226-R282 IonicContact OD2-NH2 3.46Å; D226-R282 PolarHBondContact OD2-NH2 3.28Å; S245-R282 WeakPolarHBondContact O-CA 3.29Å; S280-R282 VanDerWaalsContact C-N 3.26Å; S280-R282 PolarHBondContact O-N 3.28Å; S280-R282 PolarHBondContact OG-N 3.16Å; S280-R282 PolarHBondContact OG-O 3.17Å
283T95.8Very high94.5Very high13 Ų1324.5 Ų24.58%0.0812%0.122CC..EExtended strand (participates in β ladder)trans-160.8159.5-178.2179.50000110.5Q244 S245 L246 V247 T276 G285Q244-T283 HydrophobicContact CG-CG2 4.5Å; S245-T283 PolarHBondContact O-N 3.21Å; L246-T283 CarbonylContact C-O 3.48Å; L246-T283 VanDerWaalsContact CA-O 3.29Å; L246-T283 WeakPolarHBondContact CA-O 3.05Å; L246-T283 HydrophobicContact CD2-CG2 3.52Å; V247-T283 PolarHBondContact N-O 3.3Å; T276-T283 HydrophobicContact CG2-CG2 4.38Å; T276-T283 WeakPolarHBondContact OG1-CG2 3.22Å; T283-G285 PolarHBondContact O-N 3.28Å; T283-G285 PolarHBondContact OG1-N 2.92Å
284T95.2Very high94.1Very high4 Ų428.8 Ų28.83%0.02514%0.138CC..  trans-80.5-4.9171.761.40000112.4V247 F249 Y269 Y286 H289 T290 F293V247-T284 WeakPolarHBondContact O-CA 3.49Å; V247-T284 WeakPolarHBondContact O-CB 3.45Å; V247-T284 WeakPolarHBondContact O-CG2 3.33Å; F249-T284 HydrophobicContact CE2-CG2 4.44Å; Y269-T284 WeakPolarHBondContact CE2-O 3.29Å; Y269-T284 PolarHBondContact OH-O 3.16Å; T284-Y286 PolarHBondContact O-N 3.46Å; T284-Y286 PolarHBondContact OG1-O 3.08Å; T284-H289 HydrophobicContact CG2-CB 4.26Å; T284-T290 WeakPolarHBondContact OG1-CA 3.41Å; T284-T290 PolarHBondContact OG1-N 3.18Å; T284-T290 PolarHBondContact OG1-OG1 2.84Å; T284-F293 HydrophobicContact CG2-CB 3.84Å; T284-F293 HydrophobicContact CG2-CD2 4.43Å; T284-F293 HydrophobicContact CG2-CG 4.13Å
285G94.8Very high93.8Very high0 Ų034.1 Ų34.10%017%0.166CC..SBendtrans73.9-35.4-176.800000113.9H272 A273 T283H272-G285 CarbonylContact C-O 3.53Å; H272-G285 WeakPolarHBondContact CB-O 3.36Å; A273-G285 PolarHBondContact N-O 3.42Å; T283-G285 PolarHBondContact O-N 3.28Å; T283-G285 PolarHBondContact OG1-N 2.92Å
286Y96Very high93.5Very high16 Ų1633.4 Ų33.46%0.06316%0.16CC..SBendtrans-117130.1-179.3-175-123.2000111.2W261 P264 V268 Y269 H272 T284 P288 H289 T290W261-Y286 VanDerWaalsContact O-CE1 3.27Å; W261-Y286 WeakPolarHBondContact O-CE1 3.45Å; W261-Y286 PolarHBondContact O-OH 3.4Å; P264-Y286 HydrophobicContact CB-CD1 4.16Å; P264-Y286 HydrophobicContact CB-CD2 4.47Å; P264-Y286 HydrophobicContact CB-CE1 3.77Å; P264-Y286 HydrophobicContact CB-CE2 4.14Å; P264-Y286 HydrophobicContact CG-CD1 3.53Å; P264-Y286 HydrophobicContact CG-CD2 4.44Å; P264-Y286 HydrophobicContact CG-CE1 3.57Å; P264-Y286 HydrophobicContact CG-CE2 4.5Å; P264-Y286 HydrophobicContact CG-CG 4.04Å; V268-Y286 HydrophobicContact CG1-CE2 4.36Å; Y269-Y286 HydrophobicContact CD2-CG 4.44Å; H272-Y286 HydrophobicContact CB-CD2 3.97Å; H272-Y286 AromaticContact CE1-CD2 3.95Å; H272-Y286 AromaticContact CE1-CE2 3.74Å; H272-Y286 AromaticContact CG-CD2 3.68Å; H272-Y286 AromaticContact ND1-CD2 3.24Å; H272-Y286 WeakPolarHBondContact ND1-CD2 3.33Å; H272-Y286 AromaticContact ND1-CE2 3.52Å; T284-Y286 PolarHBondContact O-N 3.46Å; T284-Y286 PolarHBondContact OG1-O 3.08Å; Y286-P288 HydrophobicContact CD1-CB 4.22Å; Y286-P288 VanDerWaalsContact CD1-CD 3.42Å; Y286-P288 HydrophobicContact CD1-CG 4.02Å; Y286-P288 HydrophobicContact CE1-CB 3.77Å; Y286-P288 HydrophobicContact CE1-CG 3.4Å; Y286-P288 VanDerWaalsContact CE1-CG 3.4Å; Y286-P288 HydrophobicContact CE2-CG 4.2Å; Y286-P288 VanDerWaalsContact CZ-CD 3.45Å; Y286-P288 VanDerWaalsContact CZ-CG 3.48Å; Y286-H289 HydrophobicContact CD1-CB 4.4Å; Y286-H289 AromaticContact CD1-CD2 3.67Å; Y286-H289 AromaticContact CD1-CG 3.78Å; Y286-H289 AromaticContact CD1-NE2 3.88Å; Y286-H289 VanDerWaalsContact O-CB 3.3Å; Y286-H289 WeakPolarHBondContact O-CB 3.49Å; Y286-H289 PolarHBondContact O-N 3.2Å; Y286-H289 VanDerWaalsContact O-N 3.14Å; Y286-T290 PolarHBondContact O-N 3.49Å; Y286-T290 VanDerWaalsContact O-N 3.15Å; Y286-T290 PolarHBondContact O-OG1 3.14Å
287W94.7Very high93.1Very high64 Ų6436 Ų3624%0.24217%0.172CC..Hα-helixtrans-66.1-36.8-169.173.7-94.8000114.8F47 H51 F52 W261 H272 H289 T290 L291F47-W287 HydrophobicContact CE2-CB 4.01Å; F47-W287 HydrophobicContact CE2-CE3 4.33Å; F47-W287 HydrophobicContact CZ-CB 4.1Å; F47-W287 HydrophobicContact CZ-CD2 4.38Å; F47-W287 AromaticContact CZ-CE3 3.7Å; F47-W287 HydrophobicContact CZ-CE3 3.7Å; F47-W287 HydrophobicContact CZ-CZ3 4.45Å; H51-W287 HydrophobicContact CB-CB 3.79Å; F52-W287 HydrophobicContact CZ-CD2 4.39Å; F52-W287 HydrophobicContact CZ-CG 4.42Å; W261-W287 AromaticContact CE2-CH2 3.63Å; W261-W287 AromaticContact CE2-CZ2 4Å; W261-W287 HydrophobicContact CH2-CZ3 4.45Å; W261-W287 HydrophobicContact CZ2-CE3 4.32Å; W261-W287 AromaticContact CZ2-CH2 3.33Å; W261-W287 HydrophobicContact CZ2-CH2 3.33Å; W261-W287 HydrophobicContact CZ2-CZ2 4.13Å; W261-W287 AromaticContact CZ2-CZ3 3.44Å; W261-W287 HydrophobicContact CZ2-CZ3 3.44Å; W261-W287 VanDerWaalsContact CZ2-CZ3 3.44Å; W261-W287 AromaticContact NE1-CH2 3.36Å; W261-W287 AromaticContact NE1-CZ2 3.26Å; W261-W287 VanDerWaalsContact NE1-CZ2 3.26Å; H272-W287 AromaticContact CE1-CD1 3.94Å; H272-W287 AromaticContact ND1-CD1 3.9Å; W287-H289 VanDerWaalsContact C-N 3.29Å; W287-H289 PolarHBondContact O-N 3.33Å; W287-T290 VanDerWaalsContact O-CB 3.27Å; W287-T290 WeakPolarHBondContact O-CB 3.35Å; W287-T290 PolarHBondContact O-N 2.87Å; W287-L291 HydrophobicContact CE3-CD1 4.06Å; W287-L291 HydrophobicContact CZ3-CD1 3.76Å; W287-L291 PolarHBondContact O-N 3.38Å
288P95.3Very high92.6Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-65.4-33.8172.6-23.138.7000112.1W261 L262 Y286 T290 L291 Q292W261-P288 HydrophobicContact CD2-CB 4.2Å; W261-P288 HydrophobicContact CD2-CG 4.35Å; W261-P288 HydrophobicContact CH2-CB 4.32Å; W261-P288 HydrophobicContact CZ2-CB 3.82Å; W261-P288 HydrophobicContact CZ2-CG 3.97Å; L262-P288 HydrophobicContact CD2-CB 4.04Å; Y286-P288 HydrophobicContact CD1-CB 4.22Å; Y286-P288 VanDerWaalsContact CD1-CD 3.42Å; Y286-P288 HydrophobicContact CD1-CG 4.02Å; Y286-P288 HydrophobicContact CE1-CB 3.77Å; Y286-P288 HydrophobicContact CE1-CG 3.4Å; Y286-P288 VanDerWaalsContact CE1-CG 3.4Å; Y286-P288 HydrophobicContact CE2-CG 4.2Å; Y286-P288 VanDerWaalsContact CZ-CD 3.45Å; Y286-P288 VanDerWaalsContact CZ-CG 3.48Å; P288-T290 PolarHBondContact O-N 2.87Å; P288-L291 WeakPolarHBondContact O-CB 3.46Å; P288-L291 PolarHBondContact O-N 3.24Å; P288-L291 VanDerWaalsContact O-N 3.15Å; P288-Q292 PolarHBondContact O-N 3.19Å
289H95Very high92.3Very high0 Ų042.4 Ų42.40%021%0.211CC..Hα-helixtrans-63.7-30.3171.2-70.7-179.3000111.6F249 Q250 L262 P264 T284 Y286 W287 Q292 F293F249-H289 HydrophobicContact CB-CB 4.5Å; F249-H289 HydrophobicContact CD2-CB 3.87Å; F249-H289 PolarHBondContact N-CE1 3.44Å; F249-H289 PolarHBondContact N-ND1 2.94Å; Q250-H289 PolarHBondContact O-CE1 3.15Å; Q250-H289 PolarHBondContact O-NE2 3.21Å; L262-H289 PolarHBondContact O-CD2 2.78Å; L262-H289 PolarHBondContact O-NE2 3.43Å; P264-H289 WeakPolarHBondContact CD-NE2 3.05Å; T284-H289 HydrophobicContact CG2-CB 4.26Å; Y286-H289 HydrophobicContact CD1-CB 4.4Å; Y286-H289 AromaticContact CD1-CD2 3.67Å; Y286-H289 AromaticContact CD1-CG 3.78Å; Y286-H289 AromaticContact CD1-NE2 3.88Å; Y286-H289 VanDerWaalsContact O-CB 3.3Å; Y286-H289 WeakPolarHBondContact O-CB 3.49Å; Y286-H289 PolarHBondContact O-N 3.2Å; Y286-H289 VanDerWaalsContact O-N 3.14Å; W287-H289 VanDerWaalsContact C-N 3.29Å; W287-H289 PolarHBondContact O-N 3.33Å; H289-Q292 PolarHBondContact CD2-OE1 3.22Å; H289-Q292 WeakPolarHBondContact O-CB 3.35Å; H289-Q292 PolarHBondContact O-N 3.28Å; H289-F293 WeakPolarHBondContact O-CB 3.38Å; H289-F293 PolarHBondContact O-N 3.41Å
290T93.8Very high92.1Very high20 Ų2042.3 Ų42.312%0.12321%0.214CC..Hα-helixtrans-66.7-38.6173.5-53.60000111.5F47 H51 T284 Y286 W287 P288 F293 R294F47-T290 HydrophobicContact CD2-CG2 3.91Å; F47-T290 HydrophobicContact CE2-CG2 4.35Å; H51-T290 PolarHBondContact NE2-OG1 3.13Å; T284-T290 WeakPolarHBondContact OG1-CA 3.41Å; T284-T290 PolarHBondContact OG1-N 3.18Å; T284-T290 PolarHBondContact OG1-OG1 2.84Å; Y286-T290 PolarHBondContact O-N 3.49Å; Y286-T290 VanDerWaalsContact O-N 3.15Å; Y286-T290 PolarHBondContact O-OG1 3.14Å; W287-T290 VanDerWaalsContact O-CB 3.27Å; W287-T290 WeakPolarHBondContact O-CB 3.35Å; W287-T290 PolarHBondContact O-N 2.87Å; P288-T290 PolarHBondContact O-N 2.87Å; T290-F293 WeakPolarHBondContact O-CB 3.5Å; T290-F293 PolarHBondContact O-N 3.28Å; T290-R294 VanDerWaalsContact O-CG 3.29Å; T290-R294 WeakPolarHBondContact O-CG 3.2Å; T290-R294 PolarHBondContact O-N 3.32Å
291L92.4Very high91.6Very high71 Ų7146 Ų4637%0.37223%0.23SC..Hα-helixtrans-63.1-45.9173.4-62.8177.2000110.9F47 W261 W287 P288 F293 R294 L295F47-L291 HydrophobicContact CE2-CD2 4.27Å; F47-L291 HydrophobicContact CE2-CG 4.39Å; F47-L291 HydrophobicContact CZ-CD2 4.44Å; W261-L291 HydrophobicContact CH2-CD1 3.85Å; W261-L291 HydrophobicContact CZ2-CD1 4.09Å; W287-L291 HydrophobicContact CE3-CD1 4.06Å; W287-L291 HydrophobicContact CZ3-CD1 3.76Å; W287-L291 PolarHBondContact O-N 3.38Å; P288-L291 WeakPolarHBondContact O-CB 3.46Å; P288-L291 PolarHBondContact O-N 3.24Å; P288-L291 VanDerWaalsContact O-N 3.15Å; L291-F293 VanDerWaalsContact C-N 3.34Å; L291-F293 PolarHBondContact O-N 2.96Å; L291-R294 PolarHBondContact O-N 3.35Å; L291-L295 WeakPolarHBondContact O-CG 3.39Å; L291-L295 PolarHBondContact O-N 3.33Å
292Q91.6Very high91.2Very high38 Ų3851 Ų5118%0.17825%0.246CC..Hα-helixtrans-56.8-47.8173.2-70.1179.7-21.600111.7F249 L262 P288 H289 R294 L295 V296F249-Q292 HydrophobicContact CD1-CB 4.47Å; F249-Q292 HydrophobicContact CD2-CB 4.31Å; F249-Q292 HydrophobicContact CE1-CB 4.38Å; F249-Q292 HydrophobicContact CE2-CB 4.21Å; F249-Q292 HydrophobicContact CG-CB 4.44Å; F249-Q292 HydrophobicContact CZ-CB 4.24Å; L262-Q292 VanDerWaalsContact CB-NE2 3.34Å; L262-Q292 HydrophobicContact CD2-CG 3.91Å; P288-Q292 PolarHBondContact O-N 3.19Å; H289-Q292 PolarHBondContact CD2-OE1 3.22Å; H289-Q292 WeakPolarHBondContact O-CB 3.35Å; H289-Q292 PolarHBondContact O-N 3.28Å; Q292-R294 VanDerWaalsContact C-N 3.33Å; Q292-R294 PolarHBondContact O-N 3.21Å; Q292-L295 WeakPolarHBondContact O-CB 3.39Å; Q292-L295 PolarHBondContact O-N 3.05Å; Q292-L295 VanDerWaalsContact O-N 3.15Å; Q292-V296 WeakPolarHBondContact O-CG2 3.39Å; Q292-V296 PolarHBondContact O-N 3.16Å
293F91.1Very high90.9Very high20 Ų2051 Ų519%0.08825%0.25CC..Hα-helixtrans-55.2-49.5178.6-167.9-108.5000111.1Y209 V247 F249 T284 H289 T290 L291 L295 V296 Q297Y209-F293 HydrophobicContact CD2-CE2 4.19Å; Y209-F293 AromaticContact CD2-CZ 3.92Å; Y209-F293 HydrophobicContact CD2-CZ 3.92Å; Y209-F293 AromaticContact CG-CE2 4Å; Y209-F293 HydrophobicContact CG-CE2 4Å; Y209-F293 HydrophobicContact CG-CZ 4.19Å; V247-F293 HydrophobicContact CG1-CE2 4.2Å; F249-F293 HydrophobicContact CE2-CB 3.81Å; F249-F293 AromaticContact CE2-CD2 3.95Å; F249-F293 HydrophobicContact CE2-CD2 3.95Å; F249-F293 HydrophobicContact CE2-CG 4.39Å; F249-F293 HydrophobicContact CZ-CB 4.21Å; F249-F293 HydrophobicContact CZ-CD2 4.08Å; T284-F293 HydrophobicContact CG2-CB 3.84Å; T284-F293 HydrophobicContact CG2-CD2 4.43Å; T284-F293 HydrophobicContact CG2-CG 4.13Å; H289-F293 WeakPolarHBondContact O-CB 3.38Å; H289-F293 PolarHBondContact O-N 3.41Å; T290-F293 WeakPolarHBondContact O-CB 3.5Å; T290-F293 PolarHBondContact O-N 3.28Å; L291-F293 VanDerWaalsContact C-N 3.34Å; L291-F293 PolarHBondContact O-N 2.96Å; F293-L295 VanDerWaalsContact C-N 3.32Å; F293-L295 PolarHBondContact O-N 3.49Å; F293-V296 PolarHBondContact O-N 3.32Å; F293-V296 VanDerWaalsContact O-N 3.15Å; F293-Q297 HydrophobicContact CD1-CG 4.04Å; F293-Q297 HydrophobicContact CE1-CG 3.92Å; F293-Q297 HydrophobicContact CZ-CG 4.33Å; F293-Q297 VanDerWaalsContact O-CG 3.27Å; F293-Q297 WeakPolarHBondContact O-CG 3.27Å; F293-Q297 PolarHBondContact O-N 2.81Å
294R89.2Confident90.4Very high90 Ų9052.8 Ų52.834%0.3426%0.256SS..Hα-helixtrans-61.3-37.8178.8-67.7-61.5-170.2149.86.3113.1D43 T290 L291 Q292 Q297 S298D43-R294 VanDerWaalsContact CB-NH2 3.35Å; D43-R294 VanDerWaalsContact CG-CZ 3.43Å; D43-R294 IonicContact OD1-CZ 3.11Å; D43-R294 IonicContact OD1-NH1 2.62Å; D43-R294 PolarHBondContact OD1-NH1 2.96Å; D43-R294 IonicContact OD1-NH2 3.9Å; D43-R294 PolarHBondContact OD1-NH2 3.44Å; D43-R294 IonicContact OD2-CZ 2.78Å; D43-R294 IonicContact OD2-NH1 3.44Å; D43-R294 PolarHBondContact OD2-NH1 2.76Å; D43-R294 IonicContact OD2-NH2 2.89Å; D43-R294 PolarHBondContact OD2-NH2 2.85Å; T290-R294 VanDerWaalsContact O-CG 3.29Å; T290-R294 WeakPolarHBondContact O-CG 3.2Å; T290-R294 PolarHBondContact O-N 3.32Å; L291-R294 PolarHBondContact O-N 3.35Å; Q292-R294 VanDerWaalsContact C-N 3.33Å; Q292-R294 PolarHBondContact O-N 3.21Å; R294-Q297 PolarHBondContact O-N 2.71Å; R294-S298 PolarHBondContact O-N 3.31Å; R294-S298 VanDerWaalsContact O-N 3.11Å; R294-S298 PolarHBondContact O-OG 3.44Å
295L88.6Confident89.9Confident123 Ų12354.2 Ų54.264%0.64426%0.264SS*.Hα-helixtrans-62.8-47.6173.9-69.2169.8000110.9L291 Q292 F293 Q297 S298 M299L291-L295 WeakPolarHBondContact O-CG 3.39Å; L291-L295 PolarHBondContact O-N 3.33Å; Q292-L295 WeakPolarHBondContact O-CB 3.39Å; Q292-L295 PolarHBondContact O-N 3.05Å; Q292-L295 VanDerWaalsContact O-N 3.15Å; F293-L295 VanDerWaalsContact C-N 3.32Å; F293-L295 PolarHBondContact O-N 3.49Å; L295-Q297 VanDerWaalsContact C-N 3.28Å; L295-Q297 PolarHBondContact O-N 3.48Å; L295-S298 PolarHBondContact O-N 3.03Å; L295-S298 VanDerWaalsContact O-N 3.16Å; L295-M299 PolarHBondContact O-N 3.32Å; L295-M299 VanDerWaalsContact O-N 3.12Å
296V87.5Confident89.5Confident10 Ų1058.4 Ų58.46%0.06129%0.286CS..Hα-helixtrans-62.6-35.5177178.90000111.8Y209 R210 F249 Q292 F293 S298 M299 W304Y209-V296 HydrophobicContact CD1-CG1 3.98Å; R210-V296 HydrophobicContact CB-CG1 4.35Å; R210-V296 HydrophobicContact CG-CG1 3.65Å; F249-V296 HydrophobicContact CE1-CG2 4.2Å; F249-V296 HydrophobicContact CZ-CG2 4.3Å; Q292-V296 WeakPolarHBondContact O-CG2 3.39Å; Q292-V296 PolarHBondContact O-N 3.16Å; F293-V296 PolarHBondContact O-N 3.32Å; F293-V296 VanDerWaalsContact O-N 3.15Å; V296-S298 VanDerWaalsContact C-N 3.34Å; V296-S298 PolarHBondContact O-N 2.81Å; V296-M299 PolarHBondContact O-N 2.91Å; V296-W304 HydrophobicContact CB-CZ3 4.46Å; V296-W304 HydrophobicContact CG1-CD2 4.44Å; V296-W304 HydrophobicContact CG1-CE3 4.19Å; V296-W304 HydrophobicContact CG1-CH2 4.22Å; V296-W304 HydrophobicContact CG1-CZ3 4.07Å; V296-W304 HydrophobicContact CG2-CE3 4.23Å; V296-W304 HydrophobicContact CG2-CH2 3.95Å; V296-W304 HydrophobicContact CG2-CZ3 3.53Å
297Q86.6Confident88.9Confident54 Ų5459.1 Ų59.125%0.25230%0.299SS..Hα-helixtrans-65.1-36175.5-69.4-166.8-5300113.4Y209 F293 R294 L295Y209-Q297 HydrophobicContact CD1-CG 4.22Å; Y209-Q297 HydrophobicContact CE1-CB 4.13Å; Y209-Q297 HydrophobicContact CE1-CG 3.7Å; Y209-Q297 HydrophobicContact CE2-CG 3.96Å; F293-Q297 HydrophobicContact CD1-CG 4.04Å; F293-Q297 HydrophobicContact CE1-CG 3.92Å; F293-Q297 HydrophobicContact CZ-CG 4.33Å; F293-Q297 VanDerWaalsContact O-CG 3.27Å; F293-Q297 WeakPolarHBondContact O-CG 3.27Å; F293-Q297 PolarHBondContact O-N 2.81Å; R294-Q297 PolarHBondContact O-N 2.71Å; L295-Q297 VanDerWaalsContact C-N 3.28Å; L295-Q297 PolarHBondContact O-N 3.48Å
298S85Confident88.2Confident103 Ų10356.7 Ų56.772%0.7229%0.291SS*.Hα-helixtrans-83.1-19.6-176.7-53.10000112.6R294 L295 V296R294-S298 PolarHBondContact O-N 3.31Å; R294-S298 VanDerWaalsContact O-N 3.11Å; R294-S298 PolarHBondContact O-OG 3.44Å; L295-S298 PolarHBondContact O-N 3.03Å; L295-S298 VanDerWaalsContact O-N 3.16Å; V296-S298 VanDerWaalsContact C-N 3.34Å; V296-S298 PolarHBondContact O-N 2.81Å
299M86.6Confident87.5Confident48 Ų4864.1 Ų64.124%0.23632%0.319CS..SBendtrans-80130.1-177.3-178.6164.139.700111.6R210 L295 V296 I303 W304R210-M299 PolarHBondContact NH2-O 3.08Å; L295-M299 PolarHBondContact O-N 3.32Å; L295-M299 VanDerWaalsContact O-N 3.12Å; V296-M299 PolarHBondContact O-N 2.91Å; M299-I303 HydrophobicContact CG-CB 3.71Å; M299-I303 HydrophobicContact CG-CG2 3.85Å; M299-I303 HydrophobicContact SD-CB 3.97Å; M299-I303 HydrophobicContact SD-CG2 3.51Å; M299-I303 VanDerWaalsContact SD-CG2 3.51Å; M299-W304 HydrophobicContact CE-CB 4.13Å; M299-W304 HydrophobicContact CE-CD2 4.26Å; M299-W304 HydrophobicContact CE-CE3 3.34Å; M299-W304 HydrophobicContact CE-CZ3 4.06Å; M299-W304 HydrophobicContact SD-CB 4.44Å
300P88.1Confident86.7Confident58 Ų5869.6 Ų69.638%0.37735%0.346SS..  trans-55.4145.6168.6-24.432.5000112.3W302 I303 W304P300-W302 VanDerWaalsContact C-N 3.31Å; P300-W302 HydrophobicContact CB-CG 4.45Å; P300-W302 PolarHBondContact O-N 3.47Å; P300-I303 HydrophobicContact CB-CD1 4.39Å; P300-I303 HydrophobicContact CB-CG1 4.23Å; P300-I303 HydrophobicContact CG-CD1 4Å; P300-I303 HydrophobicContact CG-CG1 4.39Å; P300-I303 PolarHBondContact O-N 3.22Å; P300-I303 VanDerWaalsContact O-N 3.14Å; P300-W304 PolarHBondContact O-N 3.28Å
301E85.9Confident85.6Confident95 Ų9575 Ų7544%0.44437%0.374SS..Hα-helixtrans-59.3-40.5-174.8-165.1159.312400113.4R210 I303 W304 V305R210-E301 IonicContact NH1-OE2 2.99Å; R210-E301 PolarHBondContact NH1-OE2 2.75Å; E301-I303 VanDerWaalsContact C-N 3.27Å; E301-I303 PolarHBondContact O-N 2.95Å; E301-W304 WeakPolarHBondContact O-CB 3.32Å; E301-W304 PolarHBondContact O-N 2.96Å; E301-W304 VanDerWaalsContact O-N 3.13Å; E301-V305 HydrophobicContact CG-CG2 4.2Å; E301-V305 WeakPolarHBondContact O-CG2 3.43Å; E301-V305 PolarHBondContact O-N 3.33Å
302W86.4Confident84.3Confident179 Ų17974.2 Ų74.268%0.67837%0.372SS*.Hα-helixtrans-62.8-33.8-179.565.6-95000112.4P300 L306P300-W302 VanDerWaalsContact C-N 3.31Å; P300-W302 HydrophobicContact CB-CG 4.45Å; P300-W302 PolarHBondContact O-N 3.47Å; W302-L306 VanDerWaalsContact O-CB 3.27Å; W302-L306 WeakPolarHBondContact O-CB 3.41Å; W302-L306 PolarHBondContact O-N 3.39Å
303I88.3Confident82.7Confident64 Ų6476.8 Ų76.833%0.32839%0.394SS..Hα-helixtrans-68.7-44.7174.9-56.7-173.2000109.7M299 P300 E301 L306 G307M299-I303 HydrophobicContact CG-CB 3.71Å; M299-I303 HydrophobicContact CG-CG2 3.85Å; M299-I303 HydrophobicContact SD-CB 3.97Å; M299-I303 HydrophobicContact SD-CG2 3.51Å; M299-I303 VanDerWaalsContact SD-CG2 3.51Å; P300-I303 HydrophobicContact CB-CD1 4.39Å; P300-I303 HydrophobicContact CB-CG1 4.23Å; P300-I303 HydrophobicContact CG-CD1 4Å; P300-I303 HydrophobicContact CG-CG1 4.39Å; P300-I303 PolarHBondContact O-N 3.22Å; P300-I303 VanDerWaalsContact O-N 3.14Å; E301-I303 VanDerWaalsContact C-N 3.27Å; E301-I303 PolarHBondContact O-N 2.95Å; I303-L306 PolarHBondContact O-N 2.66Å; I303-G307 PolarHBondContact O-N 2.8Å
304W86.5Confident80.4Confident52 Ų5280.7 Ų80.720%0.19742%0.424CS..Hα-helixtrans-59.2-49.3176.3174.4-99.7000111.6R210 P211 S212 V296 M299 P300 E301 L306 G307 S308R210-W304 VanDerWaalsContact CB-CD1 3.46Å; R210-W304 HydrophobicContact CB-CD2 4.1Å; R210-W304 HydrophobicContact CB-CG 3.93Å; R210-W304 HydrophobicContact CB-CZ2 4.29Å; R210-W304 VanDerWaalsContact CB-NE1 3.27Å; R210-W304 HydrophobicContact CG-CD2 4.38Å; R210-W304 HydrophobicContact CG-CG 4.13Å; P211-W304 PolarHBondContact O-NE1 3.3Å; S212-W304 PolarHBondContact OG-NE1 3.47Å; V296-W304 HydrophobicContact CB-CZ3 4.46Å; V296-W304 HydrophobicContact CG1-CD2 4.44Å; V296-W304 HydrophobicContact CG1-CE3 4.19Å; V296-W304 HydrophobicContact CG1-CH2 4.22Å; V296-W304 HydrophobicContact CG1-CZ3 4.07Å; V296-W304 HydrophobicContact CG2-CE3 4.23Å; V296-W304 HydrophobicContact CG2-CH2 3.95Å; V296-W304 HydrophobicContact CG2-CZ3 3.53Å; M299-W304 HydrophobicContact CE-CB 4.13Å; M299-W304 HydrophobicContact CE-CD2 4.26Å; M299-W304 HydrophobicContact CE-CE3 3.34Å; M299-W304 HydrophobicContact CE-CZ3 4.06Å; M299-W304 HydrophobicContact SD-CB 4.44Å; P300-W304 PolarHBondContact O-N 3.28Å; E301-W304 WeakPolarHBondContact O-CB 3.32Å; E301-W304 PolarHBondContact O-N 2.96Å; E301-W304 VanDerWaalsContact O-N 3.13Å; W304-L306 VanDerWaalsContact C-N 3.33Å; W304-L306 PolarHBondContact O-N 3.49Å; W304-G307 PolarHBondContact O-N 3.29Å; W304-S308 WeakPolarHBondContact O-CB 3.35Å; W304-S308 PolarHBondContact O-N 3.23Å; W304-S308 PolarHBondContact O-OG 3.31Å
305V85.3Confident78.1Confident33 Ų3384.6 Ų84.620%0.246%0.463CS..Hα-helixtrans-61.5-43.5179.4173.30000110.4E301 S308 R309E301-V305 HydrophobicContact CG-CG2 4.2Å; E301-V305 WeakPolarHBondContact O-CG2 3.43Å; E301-V305 PolarHBondContact O-N 3.33Å; V305-S308 WeakPolarHBondContact CA-OG 3.41Å; V305-S308 PolarHBondContact O-N 2.9Å; V305-S308 PolarHBondContact O-OG 2.96Å; V305-R309 HydrophobicContact CG1-CG 4.48Å; V305-R309 WeakPolarHBondContact O-CG 3.37Å; V305-R309 PolarHBondContact O-N 3.49Å
306L85.6Confident77.6Confident88 Ų8882.7 Ų82.746%0.46145%0.454SS..Hα-helixtrans-59.7-49.5176.8-176.764.4000112.1W302 I303 W304 S308 R309 M310W302-L306 VanDerWaalsContact O-CB 3.27Å; W302-L306 WeakPolarHBondContact O-CB 3.41Å; W302-L306 PolarHBondContact O-N 3.39Å; I303-L306 PolarHBondContact O-N 2.66Å; W304-L306 VanDerWaalsContact C-N 3.33Å; W304-L306 PolarHBondContact O-N 3.49Å; L306-S308 PolarHBondContact O-N 3.05Å; L306-R309 PolarHBondContact O-N 2.99Å; L306-M310 HydrophobicContact CD1-CE 4.28Å; L306-M310 HydrophobicContact CG-CE 4.27Å; L306-M310 PolarHBondContact O-N 3.09Å
307G83.7Confident77.1Confident32 Ų3286.5 Ų86.533%0.3348%0.475SS..Hα-helixtrans-64.2-40.1178.300000112.8I303 W304 R309 M310 L311I303-G307 PolarHBondContact O-N 2.8Å; W304-G307 PolarHBondContact O-N 3.29Å; G307-R309 PolarHBondContact O-N 3.09Å; G307-M310 PolarHBondContact O-N 3.34Å; G307-L311 PolarHBondContact O-N 2.92Å; G307-L311 VanDerWaalsContact O-N 3.16Å
308S80.6Confident76.5Confident13 Ų1388.3 Ų88.39%0.09149%0.487CS..Hα-helixtrans-63.6-39.8176.769.10000112.2P213 W304 V305 L306 M310 L311 T312P213-S308 WeakPolarHBondContact CD-OG 3.36Å; W304-S308 WeakPolarHBondContact O-CB 3.35Å; W304-S308 PolarHBondContact O-N 3.23Å; W304-S308 PolarHBondContact O-OG 3.31Å; V305-S308 WeakPolarHBondContact CA-OG 3.41Å; V305-S308 PolarHBondContact O-N 2.9Å; V305-S308 PolarHBondContact O-OG 2.96Å; L306-S308 PolarHBondContact O-N 3.05Å; S308-M310 VanDerWaalsContact C-N 3.35Å; S308-M310 PolarHBondContact O-N 3.22Å; S308-L311 PolarHBondContact O-N 2.97Å; S308-T312 WeakPolarHBondContact O-CG2 3.47Å; S308-T312 PolarHBondContact O-N 3.48Å; S308-T312 PolarHBondContact O-OG1 2.87Å; S308-T312 VanDerWaalsContact O-OG1 3.05Å
309R80.5Confident76Confident155 Ų15587.4 Ų87.459%0.58547%0.473SS*.Hα-helixtrans-60.6-43.9175.9-75.8177.9-177.2-176.21.1111.8P213 V305 L306 G307 L311 T312 S313P213-R309 HydrophobicContact CG-CG 3.84Å; V305-R309 HydrophobicContact CG1-CG 4.48Å; V305-R309 WeakPolarHBondContact O-CG 3.37Å; V305-R309 PolarHBondContact O-N 3.49Å; L306-R309 PolarHBondContact O-N 2.99Å; G307-R309 PolarHBondContact O-N 3.09Å; R309-L311 VanDerWaalsContact C-N 3.35Å; R309-L311 PolarHBondContact O-N 3.25Å; R309-T312 WeakPolarHBondContact CA-OG1 3.35Å; R309-T312 PolarHBondContact O-N 3.33Å; R309-T312 PolarHBondContact O-OG1 3.42Å; R309-S313 WeakPolarHBondContact O-CB 3.33Å; R309-S313 PolarHBondContact O-N 3.25Å; R309-S313 PolarHBondContact O-OG 3.39Å
310M76.9Confident75.4Confident116 Ų11689.9 Ų89.957%0.57149%0.488SS*.Hα-helixtrans-59.7-46.1177.6-69.1-178.5176.200111.2L306 G307 S308 T312 S313 S314L306-M310 HydrophobicContact CD1-CE 4.28Å; L306-M310 HydrophobicContact CG-CE 4.27Å; L306-M310 PolarHBondContact O-N 3.09Å; G307-M310 PolarHBondContact O-N 3.34Å; S308-M310 VanDerWaalsContact C-N 3.35Å; S308-M310 PolarHBondContact O-N 3.22Å; M310-T312 PolarHBondContact O-N 2.86Å; M310-S313 WeakPolarHBondContact CA-OG 3.26Å; M310-S313 PolarHBondContact O-N 2.99Å; M310-S313 PolarHBondContact O-OG 3.37Å; M310-S314 PolarHBondContact O-N 3.34Å; M310-S314 PolarHBondContact O-OG 3.42Å; M310-S314 VanDerWaalsContact O-OG 3.09Å
311L70.9Confident74.5Confident134 Ų13492 Ų9270%0.70250%0.495SS*.Hα-helixtrans-64.5-39.3177.9-70168.8000112.7G307 S308 R309G307-L311 PolarHBondContact O-N 2.92Å; G307-L311 VanDerWaalsContact O-N 3.16Å; S308-L311 PolarHBondContact O-N 2.97Å; R309-L311 VanDerWaalsContact C-N 3.35Å; R309-L311 PolarHBondContact O-N 3.25Å
312T65Low73.7Confident53 Ų5391.8 Ų91.833%0.32550%0.499SS..Hα-helixtrans-75.3-24.6178520000113.5S308 R309 M310 S314S308-T312 WeakPolarHBondContact O-CG2 3.47Å; S308-T312 PolarHBondContact O-N 3.48Å; S308-T312 PolarHBondContact O-OG1 2.87Å; S308-T312 VanDerWaalsContact O-OG1 3.05Å; R309-T312 WeakPolarHBondContact CA-OG1 3.35Å; R309-T312 PolarHBondContact O-N 3.33Å; R309-T312 PolarHBondContact O-OG1 3.42Å; M310-T312 PolarHBondContact O-N 2.86Å; T312-S314 VanDerWaalsContact C-N 3.32Å
313S57.6Low72.7Confident93 Ų9385.1 Ų85.165%0.6549%0.485SS*.THydrogen-bonded Turntrans-82.6-7.9177.558.20000114.2R309 M310R309-S313 WeakPolarHBondContact O-CB 3.33Å; R309-S313 PolarHBondContact O-N 3.25Å; R309-S313 PolarHBondContact O-OG 3.39Å; M310-S313 WeakPolarHBondContact CA-OG 3.26Å; M310-S313 PolarHBondContact O-N 2.99Å; M310-S313 PolarHBondContact O-OG 3.37Å
314S44.3Very low71.4Confident101 Ų10186.8 Ų86.871%0.70650%0.498SS*.THydrogen-bonded Turntrans-99.58.4179.3-59.10000113.6M310 T312M310-S314 PolarHBondContact O-N 3.34Å; M310-S314 PolarHBondContact O-OG 3.42Å; M310-S314 VanDerWaalsContact O-OG 3.09Å; T312-S314 VanDerWaalsContact C-N 3.32Å
315C40.3Very low70.1Confident172 Ų17290 Ų90100%1.16253%0.526SS*.  trans-120.20171.7-67.50000109.1

Retrieved 315 of 315 residues in 488.2 ms (Link to these results)

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