A0A5K4FAC5_SCHMA Loading...

Sodium/potassium-transporting ATPase subunit beta

AlphaFold DB , UniProt , Accession A0A5K4FAC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 285 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
1M40.4Very low60.3Low245 Ų245150.6 Ų150.6100%1.20775%0.747SS**  0107.40-78.6173.6157.800109.6
2K47.4Very low61.2Low220 Ų220151.2 Ų151.296%0.95773%0.734SS**  trans-83.2118171.5-74.9-176.9176.4-179.90108.4
3K46.2Very low62.5Low201 Ų201149.4 Ų149.487%0.87472%0.721SS**  trans-64.2128.4178.8-74.4179.4174.5179.10110.3V5K3-V5 PolarHBondContact O-N 2.76Å
4A55Low63.4Low102 Ų102147.7 Ų147.784%0.84371%0.709SS**  trans-74115.9170.700000109.6Q6A4-Q6 PolarHBondContact O-N 2.8Å
5V62.9Low63.9Low128 Ų128144.9 Ų144.978%0.77669%0.688SS**  trans-73.1121.5176.3175.10000109.4K3 Q7K3-V5 PolarHBondContact O-N 2.76Å; V5-Q7 PolarHBondContact O-N 3.39Å
6Q58.2Low64.6Low195 Ų195141.6 Ų141.691%0.91168%0.68SS**  trans-70.7108.3176.5-133.4177.7-9.900109.6A4A4-Q6 PolarHBondContact O-N 2.8Å
7Q62.9Low65.5Low74 Ų74138.6 Ų138.635%0.34667%0.668SS.*  trans-80.7134178.9-70.2-177.4-1700111.9V5 R12V5-Q7 PolarHBondContact O-N 3.39Å; Q7-R12 HydrophobicContact CB-CG 4.27Å
8S71Confident66.4Low70 Ų70137 Ų13749%0.4966%0.655SS.*  trans-53.5142.9172.8160.20000111.9F10 T11 R12S8-F10 PolarHBondContact O-N 3.43Å; S8-F10 PolarHBondContact OG-N 3.27Å; S8-T11 WeakPolarHBondContact O-CA 3.22Å; S8-T11 WeakPolarHBondContact O-CB 3.44Å; S8-T11 PolarHBondContact O-N 3.3Å; S8-R12 PolarHBondContact O-N 3.26Å
9R74.1Confident67Low232 Ų232131.5 Ų131.588%0.87563%0.629SS**Hα-helixtrans-52.7-38.3178.4-77.5-170.4-178.5-172.71.4112.3R12 F13R9-R12 PolarHBondContact O-N 2.98Å; R9-F13 PolarHBondContact O-N 3.23Å
10F75.4Confident67.5Low129 Ų129128.6 Ų128.657%0.56662%0.622SS**Hα-helixtrans-69.9-37.8179.2-167.7-109.9000112S8 R12 F13 K14S8-F10 PolarHBondContact O-N 3.43Å; S8-F10 PolarHBondContact OG-N 3.27Å; F10-R12 VanDerWaalsContact C-N 3.34Å; F10-F13 PolarHBondContact O-N 3.22Å; F10-K14 HydrophobicContact CD1-CD 4.16Å; F10-K14 HydrophobicContact CE1-CD 3.8Å; F10-K14 HydrophobicContact CE1-CG 4.34Å; F10-K14 HydrophobicContact CZ-CD 4.4Å; F10-K14 WeakPolarHBondContact O-CB 3.47Å; F10-K14 PolarHBondContact O-N 3.21Å
11T70.1Confident67.9Low61 Ų61129.7 Ų129.737%0.37463%0.626SS.*Hα-helixtrans-67.4-36.8174.4-42.50000111.3S8 R15S8-T11 WeakPolarHBondContact O-CA 3.22Å; S8-T11 WeakPolarHBondContact O-CB 3.44Å; S8-T11 PolarHBondContact O-N 3.3Å; T11-R15 WeakPolarHBondContact O-CB 3.34Å; T11-R15 WeakPolarHBondContact O-CG 3.38Å; T11-R15 PolarHBondContact O-N 3.44Å
12R71.5Confident69.5Low157 Ų157124.3 Ų124.359%0.59260%0.596SS**Hα-helixtrans-62.6-49.9170.6-79.4-172.8176.7-168.8-0.7111.4Q7 S8 R9 F10 K14 R15 T16Q7-R12 HydrophobicContact CB-CG 4.27Å; S8-R12 PolarHBondContact O-N 3.26Å; R9-R12 PolarHBondContact O-N 2.98Å; F10-R12 VanDerWaalsContact C-N 3.34Å; R12-K14 PolarHBondContact O-N 3.36Å; R12-R15 CarbonylContact O-C 3.55Å; R12-R15 PolarHBondContact O-N 3.01Å; R12-R15 VanDerWaalsContact O-N 3.15Å; R12-T16 PolarHBondContact O-N 3.11Å; R12-T16 PolarHBondContact O-OG1 3.25Å
13F77Confident70.8Confident128 Ų128119.8 Ų119.856%0.56158%0.578SS**Hα-helixtrans-59.8-45.2178.9-176.7-100000112.4R9 F10 R15 T16 L17R9-F13 PolarHBondContact O-N 3.23Å; F10-F13 PolarHBondContact O-N 3.22Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 2.88Å; F13-T16 WeakPolarHBondContact O-CB 3.48Å; F13-T16 PolarHBondContact O-N 2.92Å; F13-T16 VanDerWaalsContact O-N 3.15Å; F13-L17 HydrophobicContact CE1-CD1 4.2Å; F13-L17 HydrophobicContact CZ-CD1 4.11Å; F13-L17 PolarHBondContact O-N 2.96Å
14K75.1Confident72.5Confident126 Ų126112.5 Ų112.555%0.54855%0.547SS..Hα-helixtrans-59.5-43.1173.7-81.9-172.8168.2-178.50112.2F10 R12 T16 L17 Y18F10-K14 HydrophobicContact CD1-CD 4.16Å; F10-K14 HydrophobicContact CE1-CD 3.8Å; F10-K14 HydrophobicContact CE1-CG 4.34Å; F10-K14 HydrophobicContact CZ-CD 4.4Å; F10-K14 WeakPolarHBondContact O-CB 3.47Å; F10-K14 PolarHBondContact O-N 3.21Å; R12-K14 PolarHBondContact O-N 3.36Å; K14-T16 VanDerWaalsContact C-N 3.32Å; K14-T16 PolarHBondContact O-N 2.73Å; K14-L17 PolarHBondContact O-N 3.04Å; K14-Y18 PolarHBondContact O-N 2.85Å; K14-Y18 VanDerWaalsContact O-O 3.13Å
15R71.2Confident73.7Confident105 Ų105110.9 Ų110.940%0.39652%0.524SS..Hα-helixtrans-65.9-31.6174.8-80.5-179.3173-148-7113.2T11 R12 F13 Y18T11-R15 WeakPolarHBondContact O-CB 3.34Å; T11-R15 WeakPolarHBondContact O-CG 3.38Å; T11-R15 PolarHBondContact O-N 3.44Å; R12-R15 CarbonylContact O-C 3.55Å; R12-R15 PolarHBondContact O-N 3.01Å; R12-R15 VanDerWaalsContact O-N 3.15Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 2.88Å; R15-Y18 CarbonylContact O-C 3.46Å
16T74.5Confident74.5Confident93 Ų93109.8 Ų109.857%0.57151%0.513SS*.Hα-helixtrans-69.5-36.9173.5-52.70000111.5R12 F13 K14R12-T16 PolarHBondContact O-N 3.11Å; R12-T16 PolarHBondContact O-OG1 3.25Å; F13-T16 WeakPolarHBondContact O-CB 3.48Å; F13-T16 PolarHBondContact O-N 2.92Å; F13-T16 VanDerWaalsContact O-N 3.15Å; K14-T16 VanDerWaalsContact C-N 3.32Å; K14-T16 PolarHBondContact O-N 2.73Å
17L80.9Confident75.3Confident90 Ų90103.2 Ų103.247%0.47150%0.497SS..Hα-helixtrans-72.5-46.1178.6-146.7102.7000111.6F13 K14 I25 L26F13-L17 HydrophobicContact CE1-CD1 4.2Å; F13-L17 HydrophobicContact CZ-CD1 4.11Å; F13-L17 PolarHBondContact O-N 2.96Å; K14-L17 PolarHBondContact O-N 3.04Å; L17-I25 WeakPolarHBondContact O-CA 3.22Å; L17-L26 HydrophobicContact CD1-CD2 4.17Å; L17-L26 HydrophobicContact CG-CD2 4.3Å; L17-L26 PolarHBondContact O-N 2.89Å
18Y81.5Confident76.2Confident110 Ų110106 Ų10643%0.43151%0.505SS..EExtended strand (participates in β ladder)trans-145.1119.5178.3-179.1-115.9000110.8K14 R15 P20 E24 I25K14-Y18 PolarHBondContact O-N 2.85Å; K14-Y18 VanDerWaalsContact O-O 3.13Å; R15-Y18 CarbonylContact O-C 3.46Å; Y18-P20 HydrophobicContact CD1-CB 4.44Å; Y18-P20 HydrophobicContact CE1-CB 3.91Å; Y18-P20 WeakPolarHBondContact O-CD 3.49Å; Y18-E24 WeakPolarHBondContact CA-O 3.28Å; Y18-I25 HydrophobicContact CD2-CG1 3.79Å; Y18-I25 HydrophobicContact CE2-CG1 4.2Å
19N78.5Confident76.9Confident32 Ų32104.7 Ų104.717%0.17149%0.493CS..EExtended strand (participates in β ladder)trans-100.8102.1174.1-173.1-0.1000109.9E21 K22 H23 E24N19-E21 VanDerWaalsContact C-N 3.27Å; N19-E21 PolarHBondContact O-N 3.05Å; N19-E21 PolarHBondContact OD1-N 3.47Å; N19-K22 PolarHBondContact O-N 3.07Å; N19-H23 WeakPolarHBondContact O-CA 3.5Å; N19-H23 PolarHBondContact O-N 3.37Å; N19-E24 HydrophobicContact CB-CB 4.31Å; N19-E24 PolarHBondContact N-O 3.29Å; N19-E24 PolarHBondContact O-N 3.47Å
20P76.3Confident77.3Confident74 Ų7497 Ų9748%0.48147%0.474SS..THydrogen-bonded Turntrans-67.4-24-175.927.4-35000113.5Y18Y18-P20 HydrophobicContact CD1-CB 4.44Å; Y18-P20 HydrophobicContact CE1-CB 3.91Å; Y18-P20 WeakPolarHBondContact O-CD 3.49Å
21E76.6Confident77.9Confident152 Ų152100.4 Ų100.471%0.7148%0.484SS*.THydrogen-bonded Turntrans-72.6-31.2-179.6-70.1177.2-167.900112.5N19N19-E21 VanDerWaalsContact C-N 3.27Å; N19-E21 PolarHBondContact O-N 3.05Å; N19-E21 PolarHBondContact OD1-N 3.47Å
22K73.6Confident78.7Confident132 Ų132100.8 Ų100.857%0.57448%0.483SS*.THydrogen-bonded Turntrans-110.9-2.1-178.5-64.6-169.8177.6-174.50113.8N19 E24N19-K22 PolarHBondContact O-N 3.07Å; K22-E24 HydrophobicContact CB-CG 3.79Å; K22-E24 VanDerWaalsContact CD-OE1 3.27Å; K22-E24 WeakPolarHBondContact CD-OE1 3.39Å; K22-E24 PolarHBondContact O-N 2.98Å
23H73.6Confident79.5Confident124 Ų12498.8 Ų98.857%0.57448%0.476SS*.THydrogen-bonded Turntrans50.742.6-170.4-62-73.4000113N19N19-H23 WeakPolarHBondContact O-CA 3.5Å; N19-H23 PolarHBondContact O-N 3.37Å
24E81.9Confident80.2Confident49 Ų4996.7 Ų96.723%0.22947%0.473CS..EExtended strand (participates in β ladder)trans-100.3130.3178.2-67.6166.3177.100110.4Y18 N19 K22 R28 T29Y18-E24 WeakPolarHBondContact CA-O 3.28Å; N19-E24 HydrophobicContact CB-CB 4.31Å; N19-E24 PolarHBondContact N-O 3.29Å; N19-E24 PolarHBondContact O-N 3.47Å; K22-E24 HydrophobicContact CB-CG 3.79Å; K22-E24 VanDerWaalsContact CD-OE1 3.27Å; K22-E24 WeakPolarHBondContact CD-OE1 3.39Å; K22-E24 PolarHBondContact O-N 2.98Å; E24-R28 CarbonylContact C-O 3.59Å; E24-R28 VanDerWaalsContact CA-O 3.26Å; E24-R28 WeakPolarHBondContact CA-O 3.35Å; E24-T29 HydrophobicContact CG-CG2 3.99Å
25I80.6Confident81Confident68 Ų6896 Ų9635%0.34948%0.475SS..EExtended strand (participates in β ladder)trans-107125.3171.9-60.8167.1000107.6L17 Y18 G27 R28 W33L17-I25 WeakPolarHBondContact O-CA 3.22Å; Y18-I25 HydrophobicContact CD2-CG1 3.79Å; Y18-I25 HydrophobicContact CE2-CG1 4.2Å; I25-G27 PolarHBondContact O-N 3.45Å; I25-R28 PolarHBondContact N-O 3.43Å; I25-R28 PolarHBondContact O-N 3.32Å; I25-R28 VanDerWaalsContact O-N 3.15Å; I25-R28 VanDerWaalsContact O-O 3.12Å; I25-W33 PolarHBondContact O-NE1 3.48Å
26L80.4Confident82Confident105 Ų10592.5 Ų92.555%0.5546%0.464SS..THydrogen-bonded Turntrans49.239.6-176.4-64.7171.4000113.2L17 W33L17-L26 HydrophobicContact CD1-CD2 4.17Å; L17-L26 HydrophobicContact CG-CD2 4.3Å; L17-L26 PolarHBondContact O-N 2.89Å; L26-W33 HydrophobicContact CB-CZ2 4.29Å; L26-W33 HydrophobicContact CD1-CZ2 4.3Å
27G75.3Confident83Confident56 Ų5694.9 Ų94.958%0.57747%0.467SS*.THydrogen-bonded Turntrans7911.7176.600000116.3I25I25-G27 PolarHBondContact O-N 3.45Å
28R81.1Confident83.7Confident134 Ų13495.1 Ų95.151%0.50647%0.467SS..EExtended strand (participates in β ladder)trans-135.4151.2173.5-63.7-166.1-177.8-168.30.6111.9E24 I25 D32 I36E24-R28 CarbonylContact C-O 3.59Å; E24-R28 VanDerWaalsContact CA-O 3.26Å; E24-R28 WeakPolarHBondContact CA-O 3.35Å; I25-R28 PolarHBondContact N-O 3.43Å; I25-R28 PolarHBondContact O-N 3.32Å; I25-R28 VanDerWaalsContact O-N 3.15Å; I25-R28 VanDerWaalsContact O-O 3.12Å; R28-D32 HydrophobicContact CB-CB 3.99Å; R28-I36 VanDerWaalsContact CD-CD1 3.5Å
29T85.6Confident84.4Confident41 Ų4196 Ų9625%0.25247%0.473SS..EExtended strand (participates in β ladder)trans-71.8158.2177.166.50000111E24 R31 D32 W33E24-T29 HydrophobicContact CG-CG2 3.99Å; T29-R31 PolarHBondContact O-N 3.21Å; T29-D32 PolarHBondContact N-OD2 2.86Å; T29-D32 WeakPolarHBondContact O-CB 3.38Å; T29-D32 PolarHBondContact O-N 3.26Å; T29-D32 PolarHBondContact OG1-N 3.35Å; T29-D32 PolarHBondContact OG1-OD2 2.9Å; T29-W33 PolarHBondContact O-N 3.18Å
30C83.5Confident85.2Confident71 Ų71100 Ų10048%0.4849%0.487SS..Hα-helixtrans-55.8-34.9174.7-68.80000112.3W33 V34C30-W33 PolarHBondContact O-N 3.02Å; C30-V34 WeakPolarHBondContact O-CG2 3.29Å; C30-V34 PolarHBondContact O-N 3.33Å
31R86.3Confident86.2Confident201 Ų20199.7 Ų99.776%0.75848%0.484SS*.Hα-helixtrans-62.2-42.9174.9-176.8-179.3177.3-176-0.8111.6T29 V34 L35T29-R31 PolarHBondContact O-N 3.21Å; R31-V34 PolarHBondContact O-N 3.34Å; R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 PolarHBondContact O-N 2.85Å
32D87.9Confident87.2Confident69 Ų6995.6 Ų95.637%0.36947%0.469SS..Hα-helixtrans-65.3-42.7176.8-59.2-37.6000111.1R28 T29 V34 L35 I36R28-D32 HydrophobicContact CB-CB 3.99Å; T29-D32 PolarHBondContact N-OD2 2.86Å; T29-D32 WeakPolarHBondContact O-CB 3.38Å; T29-D32 PolarHBondContact O-N 3.26Å; T29-D32 PolarHBondContact OG1-N 3.35Å; T29-D32 PolarHBondContact OG1-OD2 2.9Å; D32-V34 PolarHBondContact O-N 2.74Å; D32-L35 PolarHBondContact O-N 2.82Å; D32-I36 HydrophobicContact CB-CD1 4.48Å; D32-I36 WeakPolarHBondContact O-CB 3.32Å; D32-I36 WeakPolarHBondContact O-CD1 3.26Å; D32-I36 WeakPolarHBondContact O-CG1 3.49Å; D32-I36 PolarHBondContact O-N 2.84Å
33W87.9Confident88.3Confident114 Ų11491.2 Ų91.243%0.43246%0.457SS..Hα-helixtrans-58.8-45.8175.1-88.2108.1000112.8I25 L26 T29 C30 L35 I36 F37I25-W33 PolarHBondContact O-NE1 3.48Å; L26-W33 HydrophobicContact CB-CZ2 4.29Å; L26-W33 HydrophobicContact CD1-CZ2 4.3Å; T29-W33 PolarHBondContact O-N 3.18Å; C30-W33 PolarHBondContact O-N 3.02Å; W33-L35 VanDerWaalsContact C-N 3.34Å; W33-L35 PolarHBondContact O-N 2.67Å; W33-I36 PolarHBondContact O-N 2.76Å; W33-F37 WeakPolarHBondContact O-CB 3.26Å; W33-F37 PolarHBondContact O-N 2.93Å
34V91.6Very high89.5Confident85 Ų8592.3 Ų92.352%0.51546%0.457SS..Hα-helixtrans-62.4-42.3175.6171.50000110.8C30 R31 D32 F37 I38C30-V34 WeakPolarHBondContact O-CG2 3.29Å; C30-V34 PolarHBondContact O-N 3.33Å; R31-V34 PolarHBondContact O-N 3.34Å; D32-V34 PolarHBondContact O-N 2.74Å; V34-F37 PolarHBondContact O-N 3.37Å; V34-I38 HydrophobicContact CG1-CD1 3.71Å; V34-I38 HydrophobicContact CG1-CG1 4.37Å; V34-I38 WeakPolarHBondContact O-CB 3.34Å; V34-I38 VanDerWaalsContact O-CG1 3.27Å; V34-I38 WeakPolarHBondContact O-CG1 3.22Å; V34-I38 PolarHBondContact O-N 3.33Å
35L92.3Very high90.2Very high111 Ų11193.4 Ų93.458%0.58147%0.467SS*.Hα-helixtrans-66.4-41.2179.2-168.3144.7000112.2R31 D32 W33 F39R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 PolarHBondContact O-N 2.85Å; D32-L35 PolarHBondContact O-N 2.82Å; W33-L35 VanDerWaalsContact C-N 3.34Å; W33-L35 PolarHBondContact O-N 2.67Å; L35-F39 VanDerWaalsContact O-CB 3.3Å; L35-F39 WeakPolarHBondContact O-CB 3.41Å; L35-F39 PolarHBondContact O-N 3.41Å
36I92.9Very high91Very high32 Ų3296.8 Ų96.816%0.16448%0.48CS..Hα-helixtrans-62.6-45.6173.4-65.6153.4000110.3R28 D32 W33 F39 Y40R28-I36 VanDerWaalsContact CD-CD1 3.5Å; D32-I36 HydrophobicContact CB-CD1 4.48Å; D32-I36 WeakPolarHBondContact O-CB 3.32Å; D32-I36 WeakPolarHBondContact O-CD1 3.26Å; D32-I36 WeakPolarHBondContact O-CG1 3.49Å; D32-I36 PolarHBondContact O-N 2.84Å; W33-I36 PolarHBondContact O-N 2.76Å; I36-F39 WeakPolarHBondContact O-CB 3.45Å; I36-F39 PolarHBondContact O-N 3.23Å; I36-Y40 HydrophobicContact CG2-CD2 3.57Å; I36-Y40 HydrophobicContact CG2-CE2 3.61Å; I36-Y40 VanDerWaalsContact O-CD2 3.26Å; I36-Y40 WeakPolarHBondContact O-CD2 3.32Å; I36-Y40 PolarHBondContact O-N 3.16Å
37F93.9Very high91.8Very high142 Ų14297 Ų9762%0.62348%0.481SS*.Hα-helixtrans-61.2-49.3178.9179.2-98.7000111.3W33 V34 F39 Y40 V41W33-F37 WeakPolarHBondContact O-CB 3.26Å; W33-F37 PolarHBondContact O-N 2.93Å; V34-F37 PolarHBondContact O-N 3.37Å; F37-F39 VanDerWaalsContact C-N 3.32Å; F37-F39 PolarHBondContact O-N 3.37Å; F37-Y40 PolarHBondContact O-N 2.7Å; F37-V41 HydrophobicContact CD1-CG2 4.08Å; F37-V41 HydrophobicContact CD2-CG2 4.47Å; F37-V41 HydrophobicContact CE1-CG2 3.69Å; F37-V41 HydrophobicContact CE2-CG2 4.11Å; F37-V41 HydrophobicContact CG-CG2 4.46Å; F37-V41 HydrophobicContact CZ-CG2 3.7Å; F37-V41 WeakPolarHBondContact O-CB 3.38Å; F37-V41 VanDerWaalsContact O-CG2 3.29Å; F37-V41 WeakPolarHBondContact O-CG2 3.03Å; F37-V41 PolarHBondContact O-N 3.15Å
38I95.8Very high92.9Very high95 Ų9596.4 Ų96.449%0.48747%0.471SS..Hα-helixtrans-59.1-45.2175.9-68.5168000110.6V34 Y40 V41 V42V34-I38 HydrophobicContact CG1-CD1 3.71Å; V34-I38 HydrophobicContact CG1-CG1 4.37Å; V34-I38 WeakPolarHBondContact O-CB 3.34Å; V34-I38 VanDerWaalsContact O-CG1 3.27Å; V34-I38 WeakPolarHBondContact O-CG1 3.22Å; V34-I38 PolarHBondContact O-N 3.33Å; I38-Y40 PolarHBondContact O-N 3.4Å; I38-V41 PolarHBondContact O-N 3.08Å; I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 WeakPolarHBondContact O-CG2 3.43Å; I38-V42 PolarHBondContact O-N 2.54Å
39F96.2Very high93.7Very high128 Ų12895.5 Ų95.556%0.56148%0.475SS*.Hα-helixtrans-56.3-49.5176.5169.5-95.5000111.7L35 I36 F37 V42 A43L35-F39 VanDerWaalsContact O-CB 3.3Å; L35-F39 WeakPolarHBondContact O-CB 3.41Å; L35-F39 PolarHBondContact O-N 3.41Å; I36-F39 WeakPolarHBondContact O-CB 3.45Å; I36-F39 PolarHBondContact O-N 3.23Å; F37-F39 VanDerWaalsContact C-N 3.32Å; F37-F39 PolarHBondContact O-N 3.37Å; F39-V42 PolarHBondContact O-N 3.08Å; F39-A43 VanDerWaalsContact O-CB 3.25Å; F39-A43 WeakPolarHBondContact O-CB 3.32Å; F39-A43 PolarHBondContact O-N 2.86Å
40Y96.6Very high94.2Very high117 Ų117100.7 Ų100.746%0.45950%0.495SS..Hα-helixtrans-67.4-39.2179.2-83.5-68.8000112.2I36 F37 I38 V42 A43 Y44I36-Y40 HydrophobicContact CG2-CD2 3.57Å; I36-Y40 HydrophobicContact CG2-CE2 3.61Å; I36-Y40 VanDerWaalsContact O-CD2 3.26Å; I36-Y40 WeakPolarHBondContact O-CD2 3.32Å; I36-Y40 PolarHBondContact O-N 3.16Å; F37-Y40 PolarHBondContact O-N 2.7Å; I38-Y40 PolarHBondContact O-N 3.4Å; Y40-V42 VanDerWaalsContact C-N 3.34Å; Y40-V42 PolarHBondContact O-N 3.09Å; Y40-A43 PolarHBondContact O-N 3.01Å; Y40-Y44 AromaticContact CD1-CD2 3.97Å; Y40-Y44 HydrophobicContact CD1-CD2 3.97Å; Y40-Y44 AromaticContact CD1-CE2 3.46Å; Y40-Y44 HydrophobicContact CD1-CE2 3.46Å; Y40-Y44 VanDerWaalsContact CD1-CE2 3.46Å; Y40-Y44 HydrophobicContact CE1-CE2 4.19Å; Y40-Y44 HydrophobicContact CG-CE2 4.27Å; Y40-Y44 VanDerWaalsContact O-CB 3.29Å; Y40-Y44 WeakPolarHBondContact O-CB 3.3Å; Y40-Y44 WeakPolarHBondContact O-CD2 3.42Å; Y40-Y44 PolarHBondContact O-N 3.17Å
41V97.2Very high94.9Very high68 Ų68103.6 Ų103.641%0.41250%0.499SS..Hα-helixtrans-58.8-47.1174.6169.20000110.5F37 I38 T45F37-V41 HydrophobicContact CD1-CG2 4.08Å; F37-V41 HydrophobicContact CD2-CG2 4.47Å; F37-V41 HydrophobicContact CE1-CG2 3.69Å; F37-V41 HydrophobicContact CE2-CG2 4.11Å; F37-V41 HydrophobicContact CG-CG2 4.46Å; F37-V41 HydrophobicContact CZ-CG2 3.7Å; F37-V41 WeakPolarHBondContact O-CB 3.38Å; F37-V41 VanDerWaalsContact O-CG2 3.29Å; F37-V41 WeakPolarHBondContact O-CG2 3.03Å; F37-V41 PolarHBondContact O-N 3.15Å; I38-V41 PolarHBondContact O-N 3.08Å; V41-T45 WeakPolarHBondContact O-CB 3.27Å; V41-T45 WeakPolarHBondContact O-CG2 3.25Å; V41-T45 PolarHBondContact O-N 3.45Å; V41-T45 PolarHBondContact O-OG1 3.22Å
42V97.3Very high95.4Very high66 Ų6698.5 Ų98.540%0.449%0.486SS..Hα-helixtrans-66.5-45.9177.9175.50000111.1I38 F39 Y40 Y44 T45 F46I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 WeakPolarHBondContact O-CG2 3.43Å; I38-V42 PolarHBondContact O-N 2.54Å; F39-V42 PolarHBondContact O-N 3.08Å; Y40-V42 VanDerWaalsContact C-N 3.34Å; Y40-V42 PolarHBondContact O-N 3.09Å; V42-Y44 PolarHBondContact O-N 2.97Å; V42-T45 WeakPolarHBondContact CA-OG1 3.44Å; V42-T45 PolarHBondContact O-N 2.91Å; V42-T45 PolarHBondContact O-OG1 3.48Å; V42-F46 HydrophobicContact CG1-CD2 3.76Å; V42-F46 HydrophobicContact CG1-CE2 3.49Å; V42-F46 VanDerWaalsContact CG1-CE2 3.49Å; V42-F46 WeakPolarHBondContact O-CD2 3.27Å; V42-F46 PolarHBondContact O-N 3.07Å; V42-F46 VanDerWaalsContact O-N 3.09Å
43A96.7Very high95.8Very high39 Ų3996.8 Ų96.832%0.32249%0.485SS..Hα-helixtrans-62-46.3179.400000112.4F39 Y40 F46 L47F39-A43 VanDerWaalsContact O-CB 3.25Å; F39-A43 WeakPolarHBondContact O-CB 3.32Å; F39-A43 PolarHBondContact O-N 2.86Å; Y40-A43 PolarHBondContact O-N 3.01Å; A43-F46 PolarHBondContact O-N 3.39Å; A43-L47 PolarHBondContact O-N 3.41Å
44Y97.5Very high96.3Very high147 Ų14796.6 Ų96.658%0.57649%0.49SS*.Hα-helixtrans-70.6-31178.8-81.1-70.1000112.7Y40 V42 L47 A48Y40-Y44 AromaticContact CD1-CD2 3.97Å; Y40-Y44 HydrophobicContact CD1-CD2 3.97Å; Y40-Y44 AromaticContact CD1-CE2 3.46Å; Y40-Y44 HydrophobicContact CD1-CE2 3.46Å; Y40-Y44 VanDerWaalsContact CD1-CE2 3.46Å; Y40-Y44 HydrophobicContact CE1-CE2 4.19Å; Y40-Y44 HydrophobicContact CG-CE2 4.27Å; Y40-Y44 VanDerWaalsContact O-CB 3.29Å; Y40-Y44 WeakPolarHBondContact O-CB 3.3Å; Y40-Y44 WeakPolarHBondContact O-CD2 3.42Å; Y40-Y44 PolarHBondContact O-N 3.17Å; V42-Y44 PolarHBondContact O-N 2.97Å; Y44-L47 PolarHBondContact O-N 2.91Å; Y44-A48 VanDerWaalsContact O-CB 3.23Å; Y44-A48 WeakPolarHBondContact O-CB 3.45Å; Y44-A48 PolarHBondContact O-N 3.4Å
45T97.4Very high96.4Very high72 Ų7296.1 Ų96.144%0.44249%0.485SS..Hα-helixtrans-65.8-43.6172.748.40000111.5V41 V42 A48 L49V41-T45 WeakPolarHBondContact O-CB 3.27Å; V41-T45 WeakPolarHBondContact O-CG2 3.25Å; V41-T45 PolarHBondContact O-N 3.45Å; V41-T45 PolarHBondContact O-OG1 3.22Å; V42-T45 WeakPolarHBondContact CA-OG1 3.44Å; V42-T45 PolarHBondContact O-N 2.91Å; V42-T45 PolarHBondContact O-OG1 3.48Å; T45-A48 PolarHBondContact O-N 2.8Å; T45-L49 WeakPolarHBondContact O-CB 3.35Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 3.3Å
46F97.5Very high96.6Very high140 Ų14093.1 Ų93.161%0.61447%0.473SS*.Hα-helixtrans-61.5-43.9173.1-79-65.6000112.5V42 A43 L49 F50V42-F46 HydrophobicContact CG1-CD2 3.76Å; V42-F46 HydrophobicContact CG1-CE2 3.49Å; V42-F46 VanDerWaalsContact CG1-CE2 3.49Å; V42-F46 WeakPolarHBondContact O-CD2 3.27Å; V42-F46 PolarHBondContact O-N 3.07Å; V42-F46 VanDerWaalsContact O-N 3.09Å; A43-F46 PolarHBondContact O-N 3.39Å; F46-L49 PolarHBondContact O-N 3.07Å; F46-F50 WeakPolarHBondContact O-CB 3.31Å; F46-F50 PolarHBondContact O-N 3.05Å
47L97.4Very high96.6Very high109 Ų10995.8 Ų95.857%0.57149%0.491SS*.Hα-helixtrans-63.6-41.9177.7-171.9147.5000111.8A43 Y44 F50 F51A43-L47 PolarHBondContact O-N 3.41Å; Y44-L47 PolarHBondContact O-N 2.91Å; L47-F50 PolarHBondContact O-N 2.88Å; L47-F51 WeakPolarHBondContact O-CB 3.22Å; L47-F51 PolarHBondContact O-N 3.08Å
48A97.6Very high96.6Very high44 Ų4494.4 Ų94.436%0.36448%0.484SS..Hα-helixtrans-63.7-44.3176.400000111.7Y44 T45 F51 I52Y44-A48 VanDerWaalsContact O-CB 3.23Å; Y44-A48 WeakPolarHBondContact O-CB 3.45Å; Y44-A48 PolarHBondContact O-N 3.4Å; T45-A48 PolarHBondContact O-N 2.8Å; A48-F51 PolarHBondContact O-N 2.83Å; A48-I52 WeakPolarHBondContact O-CB 3.43Å; A48-I52 WeakPolarHBondContact O-CD1 3.43Å; A48-I52 WeakPolarHBondContact O-CG1 3.29Å; A48-I52 PolarHBondContact O-N 2.95Å
49L97.6Very high96.5Very high115 Ų11593.7 Ų93.760%0.60248%0.481SS*.Hα-helixtrans-63.9-41.8176.3-71.7174.5000112.1T45 F46 I52 G53T45-L49 WeakPolarHBondContact O-CB 3.35Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 3.3Å; F46-L49 PolarHBondContact O-N 3.07Å; L49-I52 PolarHBondContact O-N 3.36Å; L49-G53 PolarHBondContact O-N 3.23Å
50F97.5Very high96.3Very high150 Ų15095.6 Ų95.666%0.65849%0.486SS*.Hα-helixtrans-60.3-46.5174.3177.2-102.5000111.3F46 L47 G53 M54F46-F50 WeakPolarHBondContact O-CB 3.31Å; F46-F50 PolarHBondContact O-N 3.05Å; L47-F50 PolarHBondContact O-N 2.88Å; F50-G53 PolarHBondContact O-N 3.42Å; F50-M54 HydrophobicContact CD1-CG 4.35Å; F50-M54 HydrophobicContact CD2-CG 4.45Å; F50-M54 HydrophobicContact CE1-CG 3.92Å; F50-M54 HydrophobicContact CE2-CG 4.03Å; F50-M54 HydrophobicContact CE2-SD 4.31Å; F50-M54 HydrophobicContact CZ-CG 3.75Å; F50-M54 HydrophobicContact CZ-SD 4.14Å; F50-M54 WeakPolarHBondContact O-CG 3.38Å; F50-M54 PolarHBondContact O-N 3.21Å
51F97.6Very high95.9Very high131 Ų13193 Ų9358%0.57549%0.494SS*.Hα-helixtrans-62.1-45177.2-178.8-103.5000112.3L47 A48 G53 M54 L55L47-F51 WeakPolarHBondContact O-CB 3.22Å; L47-F51 PolarHBondContact O-N 3.08Å; A48-F51 PolarHBondContact O-N 2.83Å; F51-G53 VanDerWaalsContact C-N 3.33Å; F51-G53 PolarHBondContact O-N 3.11Å; F51-M54 PolarHBondContact O-N 3.38Å; F51-L55 HydrophobicContact CE1-CD2 4.45Å; F51-L55 VanDerWaalsContact O-CB 3.3Å; F51-L55 WeakPolarHBondContact O-CB 3.35Å; F51-L55 PolarHBondContact O-N 2.87Å
52I97.5Very high95.4Very high94 Ų9498 Ų9848%0.48251%0.507SS..Hα-helixtrans-62.3-40.8176.3-69.3164.9000111A48 L49 L55 S56A48-I52 WeakPolarHBondContact O-CB 3.43Å; A48-I52 WeakPolarHBondContact O-CD1 3.43Å; A48-I52 WeakPolarHBondContact O-CG1 3.29Å; A48-I52 PolarHBondContact O-N 2.95Å; L49-I52 PolarHBondContact O-N 3.36Å; I52-L55 PolarHBondContact O-N 2.58Å; I52-S56 WeakPolarHBondContact O-CB 3.04Å; I52-S56 PolarHBondContact O-N 3.31Å; I52-S56 PolarHBondContact O-OG 3.38Å
53G96.7Very high95.1Very high34 Ų3497.2 Ų97.235%0.35150%0.502SS..Hα-helixtrans-62-49.8175.900000112L49 F50 F51 L55 S56 V57L49-G53 PolarHBondContact O-N 3.23Å; F50-G53 PolarHBondContact O-N 3.42Å; F51-G53 VanDerWaalsContact C-N 3.33Å; F51-G53 PolarHBondContact O-N 3.11Å; G53-L55 VanDerWaalsContact C-N 3.35Å; G53-L55 PolarHBondContact O-N 3.09Å; G53-S56 PolarHBondContact O-N 3.31Å; G53-V57 WeakPolarHBondContact O-CG2 3.36Å; G53-V57 PolarHBondContact O-N 3.18Å
54M96.4Very high94.6Very high109 Ų10998 Ų9854%0.53751%0.505SS..Hα-helixtrans-60.1-43.4175.9-71.8-61.6-62.400112F50 F51 S56 V57 F58F50-M54 HydrophobicContact CD1-CG 4.35Å; F50-M54 HydrophobicContact CD2-CG 4.45Å; F50-M54 HydrophobicContact CE1-CG 3.92Å; F50-M54 HydrophobicContact CE2-CG 4.03Å; F50-M54 HydrophobicContact CE2-SD 4.31Å; F50-M54 HydrophobicContact CZ-CG 3.75Å; F50-M54 HydrophobicContact CZ-SD 4.14Å; F50-M54 WeakPolarHBondContact O-CG 3.38Å; F50-M54 PolarHBondContact O-N 3.21Å; F51-M54 PolarHBondContact O-N 3.38Å; M54-S56 VanDerWaalsContact C-N 3.33Å; M54-S56 PolarHBondContact O-N 3.09Å; M54-V57 PolarHBondContact O-N 3.14Å; M54-F58 PolarHBondContact O-N 3.17Å
55L95.6Very high94Very high76 Ų7698.6 Ų98.640%0.39851%0.511SS..Hα-helixtrans-64.5-38176.8-172.667000111.7F51 I52 G53 F58 L59F51-L55 HydrophobicContact CE1-CD2 4.45Å; F51-L55 VanDerWaalsContact O-CB 3.3Å; F51-L55 WeakPolarHBondContact O-CB 3.35Å; F51-L55 PolarHBondContact O-N 2.87Å; I52-L55 PolarHBondContact O-N 2.58Å; G53-L55 VanDerWaalsContact C-N 3.35Å; G53-L55 PolarHBondContact O-N 3.09Å; L55-F58 PolarHBondContact O-N 3.29Å; L55-L59 HydrophobicContact CD1-CD1 4.19Å; L55-L59 HydrophobicContact CD1-CG 4.24Å; L55-L59 HydrophobicContact CD2-CD1 4.34Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.26Å; L55-L59 WeakPolarHBondContact O-CB 3.46Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.41Å
56S94.6Very high93.3Very high47 Ų4799.3 Ų99.333%0.32952%0.515SS..Hα-helixtrans-65.9-44.2177.4-60.70000111.5I52 G53 M54 F58 L59 Y60I52-S56 WeakPolarHBondContact O-CB 3.04Å; I52-S56 PolarHBondContact O-N 3.31Å; I52-S56 PolarHBondContact O-OG 3.38Å; G53-S56 PolarHBondContact O-N 3.31Å; M54-S56 VanDerWaalsContact C-N 3.33Å; M54-S56 PolarHBondContact O-N 3.09Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 PolarHBondContact O-N 2.74Å; S56-L59 PolarHBondContact O-N 2.71Å; S56-Y60 WeakPolarHBondContact O-CB 3.31Å; S56-Y60 VanDerWaalsContact O-CD2 3.23Å; S56-Y60 WeakPolarHBondContact O-CD2 3.43Å; S56-Y60 PolarHBondContact O-N 2.87Å
57V94.7Very high92.8Very high89 Ų8995.2 Ų95.254%0.53950%0.502SS..Hα-helixtrans-60.6-42.5174.5173.60000110.7G53 M54 G61 Y62G53-V57 WeakPolarHBondContact O-CG2 3.36Å; G53-V57 PolarHBondContact O-N 3.18Å; M54-V57 PolarHBondContact O-N 3.14Å; V57-G61 WeakPolarHBondContact O-CA 3.43Å; V57-G61 PolarHBondContact O-N 2.9Å; V57-Y62 HydrophobicContact CG1-CE2 4.38Å
58F93.7Very high92.4Very high112 Ų11293 Ų9349%0.49149%0.494SS..Iπ-helixtrans-62.6-53.3176.4178.5-104.1000112.4M54 L55 S56 Y62 V63M54-F58 PolarHBondContact O-N 3.17Å; L55-F58 PolarHBondContact O-N 3.29Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 PolarHBondContact O-N 2.74Å; F58-Y62 WeakPolarHBondContact O-CB 3.46Å; F58-Y62 PolarHBondContact O-N 3.3Å; F58-Y62 VanDerWaalsContact O-N 3.09Å; F58-V63 HydrophobicContact CD1-CG2 4.28Å; F58-V63 HydrophobicContact CE1-CG2 3.85Å; F58-V63 HydrophobicContact CE2-CG2 4.46Å; F58-V63 HydrophobicContact CZ-CG2 3.95Å; F58-V63 PolarHBondContact O-N 2.85Å
59L93.1Very high91.8Very high80 Ų8095 Ų9542%0.41950%0.501SS..Iπ-helixtrans-69.9-35-174.5-70.2176.9000113.8L55 S56 V63L55-L59 HydrophobicContact CD1-CD1 4.19Å; L55-L59 HydrophobicContact CD1-CG 4.24Å; L55-L59 HydrophobicContact CD2-CD1 4.34Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.26Å; L55-L59 WeakPolarHBondContact O-CB 3.46Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.41Å; S56-L59 PolarHBondContact O-N 2.71Å; L59-V63 VanDerWaalsContact O-O 3.14Å
60Y91.1Very high91.3Very high169 Ų16994.6 Ų94.666%0.66350%0.499SS*.Iπ-helixtrans-99.2-25.1-177.6-62.7-65.4000113.5S56S56-Y60 WeakPolarHBondContact O-CB 3.31Å; S56-Y60 VanDerWaalsContact O-CD2 3.23Å; S56-Y60 WeakPolarHBondContact O-CD2 3.43Å; S56-Y60 PolarHBondContact O-N 2.87Å
61G88.1Confident90.5Very high61 Ų6190.3 Ų90.363%0.62949%0.486SS*.Iπ-helixtrans-92.6-37.9-17900000114V57V57-G61 WeakPolarHBondContact O-CA 3.43Å; V57-G61 PolarHBondContact O-N 2.9Å
62Y88.1Confident89.7Confident175 Ų17584.2 Ų84.269%0.68646%0.459SS*.Iπ-helixtrans-108-31.3-174.5-70.6-87.7000113.8V57 F58 T69V57-Y62 HydrophobicContact CG1-CE2 4.38Å; F58-Y62 WeakPolarHBondContact O-CB 3.46Å; F58-Y62 PolarHBondContact O-N 3.3Å; F58-Y62 VanDerWaalsContact O-N 3.09Å; Y62-T69 WeakPolarHBondContact O-CG2 3.4Å
63V89.7Confident88.9Confident49 Ų4985.1 Ų85.130%0.29746%0.461SS..  trans-95.4113.1-175.8-177.20000110.4F58 L59F58-V63 HydrophobicContact CD1-CG2 4.28Å; F58-V63 HydrophobicContact CE1-CG2 3.85Å; F58-V63 HydrophobicContact CE2-CG2 4.46Å; F58-V63 HydrophobicContact CZ-CG2 3.95Å; F58-V63 PolarHBondContact O-N 2.85Å; L59-V63 VanDerWaalsContact O-O 3.14Å
64S86.9Confident88.3Confident55 Ų5590.5 Ų90.539%0.38548%0.478SS..  trans-67.1142.7171.7178.70000110.9T66S64-T66 VanDerWaalsContact C-N 3.32Å; S64-T66 PolarHBondContact OG-N 2.04Å; S64-T66 PolarHBondContact OG-OG1 2.82Å; S64-T66 VanDerWaalsContact OG-OG1 3.05Å
65K85.1Confident87.7Confident159 Ų15986.2 Ų86.269%0.69146%0.458SS*.SBendtrans-76.8-18.2174.5-68.7-176.3-178.2177.50113.1R234K65-R234 VanDerWaalsContact O-CZ 3.28Å; K65-R234 PolarHBondContact O-NH1 2.86Å
66T83.8Confident87.1Confident88 Ų8890.9 Ų90.954%0.5448%0.482SS..SBendtrans-99.9-37.8-170.851.80000113.1S64S64-T66 VanDerWaalsContact C-N 3.32Å; S64-T66 PolarHBondContact OG-N 2.04Å; S64-T66 PolarHBondContact OG-OG1 2.82Å; S64-T66 VanDerWaalsContact OG-OG1 3.05Å
67V87.1Confident86.4Confident54 Ų5493.6 Ų93.633%0.32749%0.492SS..SBendtrans-128.8139.6-174.8-53.10000110Y175V67-Y175 HydrophobicContact CB-CE1 4.13Å; V67-Y175 HydrophobicContact CG1-CE1 4Å; V67-Y175 HydrophobicContact CG1-CE2 4.32Å; V67-Y175 WeakPolarHBondContact CG1-OH 3.42Å
68P88Confident85.9Confident63 Ų6397 Ų9741%0.40950%0.495SS..  trans-64.3139.3171.426.2-29.7000109.5T71 Y175P68-T71 HydrophobicContact CG-CG2 3.71Å; P68-Y175 HydrophobicContact CG-CD1 4.09Å; P68-Y175 HydrophobicContact CG-CG 3.92Å
69T85.5Confident85.3Confident84 Ų8495.4 Ų95.452%0.51549%0.488SS..SBendtrans-67-36.5-177.547.80000112.7Y62Y62-T69 WeakPolarHBondContact O-CG2 3.4Å
70L86.3Confident85Confident108 Ų10893.9 Ų93.957%0.56548%0.479SS*.SBendtrans-10598.6176.4-63.4175.4000109.5Q74L70-Q74 HydrophobicContact CD2-CB 4.4Å
71T82Confident84.9Confident60 Ų6086.1 Ų86.137%0.36845%0.449SS..  trans-105146170.450.30000110.5P68 Y175P68-T71 HydrophobicContact CG-CG2 3.71Å; T71-Y175 HydrophobicContact CG2-CD1 3.98Å
72G79.7Confident84.9Confident2 Ų284.2 Ų84.22%0.02143%0.429CS..G310 helixtrans88.5-140163.300000117.8Q74 S75 R78 F79G72-Q74 PolarHBondContact O-N 2.84Å; G72-S75 VanDerWaalsContact O-CB 3.3Å; G72-S75 WeakPolarHBondContact O-CB 3.31Å; G72-S75 PolarHBondContact O-N 2.84Å; G72-S75 PolarHBondContact O-OG 2.99Å; G72-R78 WeakPolarHBondContact O-CA 3.33Å; G72-F79 VanDerWaalsContact C-CD2 3.5Å; G72-F79 VanDerWaalsContact CA-CG 3.41Å; G72-F79 PolarHBondContact O-N 2.8Å
73E81.4Confident85.1Confident113 Ų11376.2 Ų76.253%0.52840%0.399SS..G310 helixtrans-60.6-26175.2-71-59.1140.200112.1S75 F79E73-S75 PolarHBondContact O-N 3.4Å; E73-F79 HydrophobicContact CG-CD2 4.4Å
74Q82.7Confident85.2Confident148 Ų14876.7 Ų76.769%0.69240%0.397SS*.G310 helixtrans-76.3-13.7174.5-61-176.3-9.100112.9L70 G72L70-Q74 HydrophobicContact CD2-CB 4.4Å; G72-Q74 PolarHBondContact O-N 2.84Å
75S83.8Confident85.5Confident19 Ų1974.2 Ų74.213%0.13338%0.38CS..SBendtrans-84.4154.1174.579.80000110.5G72 E73 L77 R78G72-S75 VanDerWaalsContact O-CB 3.3Å; G72-S75 WeakPolarHBondContact O-CB 3.31Å; G72-S75 PolarHBondContact O-N 2.84Å; G72-S75 PolarHBondContact O-OG 2.99Å; E73-S75 PolarHBondContact O-N 3.4Å; S75-L77 PolarHBondContact O-N 3.02Å; S75-L77 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact OG-N 3.09Å; S75-R78 PolarHBondContact O-N 2.57Å; S75-R78 PolarHBondContact OG-N 3.48Å
76I82.9Confident85.9Confident174 Ų17467.6 Ų67.689%0.89236%0.355SS*.THydrogen-bonded Turntrans-57.7-27.2174.3-63.9169.1000111.4R78I76-R78 VanDerWaalsContact C-N 3.34Å
77L80.8Confident86.3Confident104 Ų10463.5 Ų63.555%0.54533%0.33SS..THydrogen-bonded Turntrans-77.3-16.2178.9-60.8173.4000113.5S75 F79 Q80S75-L77 PolarHBondContact O-N 3.02Å; S75-L77 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact OG-N 3.09Å; L77-F79 VanDerWaalsContact C-N 3.28Å; L77-F79 PolarHBondContact O-N 2.77Å; L77-Q80 WeakPolarHBondContact O-CB 3.44Å; L77-Q80 PolarHBondContact O-N 2.79Å
78R83.8Confident86.4Confident161 Ų16164.8 Ų64.861%0.60833%0.329SS*.THydrogen-bonded Turntrans47.243.9-179.7-58-177.1-177.7179.4-0.1114.5G72 S75 I76 Q80G72-R78 WeakPolarHBondContact O-CA 3.33Å; S75-R78 PolarHBondContact O-N 2.57Å; S75-R78 PolarHBondContact OG-N 3.48Å; I76-R78 VanDerWaalsContact C-N 3.34Å; R78-Q80 WeakPolarHBondContact O-CG 3.4Å; R78-Q80 PolarHBondContact O-N 2.94Å
79F81.3Confident86.4Confident77 Ų7762.8 Ų62.834%0.33832%0.316SS..THydrogen-bonded Turntrans54.320.5-174.9-80.1-51.8000116.1G72 E73 L77 P81 W177G72-F79 VanDerWaalsContact C-CD2 3.5Å; G72-F79 VanDerWaalsContact CA-CG 3.41Å; G72-F79 PolarHBondContact O-N 2.8Å; E73-F79 HydrophobicContact CG-CD2 4.4Å; L77-F79 VanDerWaalsContact C-N 3.28Å; L77-F79 PolarHBondContact O-N 2.77Å; F79-P81 VanDerWaalsContact O-CD 3.29Å; F79-P81 WeakPolarHBondContact O-CD 3.35Å; F79-W177 VanDerWaalsContact O-CD1 3.23Å; F79-W177 PolarHBondContact O-NE1 3.03Å
80Q86Confident86.4Confident49 Ų4963 Ų6323%0.22931%0.314CS..  trans-102.2103.5178.4-65.1177.1-6.800110L77 R78 N267 I269L77-Q80 WeakPolarHBondContact O-CB 3.44Å; L77-Q80 PolarHBondContact O-N 2.79Å; R78-Q80 WeakPolarHBondContact O-CG 3.4Å; R78-Q80 PolarHBondContact O-N 2.94Å; Q80-N267 WeakPolarHBondContact CG-O 3.48Å; Q80-I269 VanDerWaalsContact OE1-CD1 3.31Å
81P89.6Confident86.2Confident5 Ų563.1 Ų63.13%0.03232%0.324CS..PPolyproline II helixtrans-74.6145175.333.9-36.6000110.4F79 I171 V174 W177 L262F79-P81 VanDerWaalsContact O-CD 3.29Å; F79-P81 WeakPolarHBondContact O-CD 3.35Å; P81-I171 HydrophobicContact CB-CG2 3.56Å; P81-I171 HydrophobicContact CG-CG2 3.91Å; P81-V174 HydrophobicContact CB-CG2 3.95Å; P81-W177 HydrophobicContact CG-CD2 4.14Å; P81-W177 HydrophobicContact CG-CH2 3.94Å; P81-W177 HydrophobicContact CG-CZ2 3.51Å; P81-W177 HydrophobicContact CG-CZ3 4.43Å; P81-L262 HydrophobicContact CG-CD1 4.08Å; P81-L262 WeakPolarHBondContact O-CD1 3.34Å
82G89.4Confident86.2Confident21 Ų2170 Ų7022%0.21635%0.349CS..PPolyproline II helixtrans-84168.2167.700000112.1N172G82-N172 PolarHBondContact O-N 3.25Å
83I92.4Very high86.5Confident8 Ų873.2 Ų73.24%0.04137%0.366CS..EExtended strand (participates in β ladder)trans-101.1144.3163.3-62.1162.1000107.6L169 I192 R261 L262 T272I83-L169 HydrophobicContact CG2-CB 4.03Å; I83-L169 HydrophobicContact CG2-CD1 4.49Å; I83-L169 HydrophobicContact CG2-CD2 4.12Å; I83-L169 HydrophobicContact CG2-CG 4.45Å; I83-I192 HydrophobicContact CD1-CD1 4.4Å; I83-I192 HydrophobicContact CD1-CG1 4.15Å; I83-I192 HydrophobicContact CD1-CG2 4.25Å; I83-I192 HydrophobicContact CG2-CD1 4.45Å; I83-R261 VanDerWaalsContact CD1-C 3.44Å; I83-L262 HydrophobicContact CD1-CB 4.3Å; I83-L262 HydrophobicContact CD1-CD2 3.63Å; I83-L262 HydrophobicContact CD1-CG 3.48Å; I83-L262 VanDerWaalsContact CD1-CG 3.48Å; I83-L262 HydrophobicContact CG1-CD1 4.06Å; I83-L262 HydrophobicContact CG1-CD2 3.59Å; I83-L262 HydrophobicContact CG1-CG 3.49Å; I83-L262 VanDerWaalsContact CG1-CG 3.49Å; I83-T272 HydrophobicContact CB-CG2 3.99Å; I83-T272 HydrophobicContact CG2-CG2 3.73Å; I83-T272 WeakPolarHBondContact O-CB 3.48Å
84E91Very high86.7Confident58 Ų5869.8 Ų69.827%0.27135%0.353SS..EExtended strand (participates in β ladder)trans-130.3147.1166.567.5177.1172.500112.6A86 R88 K170 N172E84-A86 PolarHBondContact O-N 2.79Å; E84-R88 IonicContact OE2-NH2 2.74Å; E84-K170 HydrophobicContact CG-CD 4.32Å; E84-K170 HydrophobicContact CG-CG 3.77Å; E84-K170 PolarHBondContact N-O 3.25Å; E84-K170 PolarHBondContact O-N 3.41Å; E84-K170 WeakPolarHBondContact OE1-CE 2.98Å; E84-K170 IonicContact OE1-NZ 3.83Å; E84-K170 PolarHBondContact OE1-NZ 3.19Å; E84-N172 VanDerWaalsContact CD-OD1 3.25Å; E84-N172 VanDerWaalsContact CG-OD1 3.27Å; E84-N172 WeakPolarHBondContact CG-OD1 3.21Å
85L93.4Very high87.2Confident3 Ų365.3 Ų65.32%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-68.1117.6164.9-17670.9000109.1R88 I96 L167 L169L85-R88 HydrophobicContact CB-CG 4.3Å; L85-R88 HydrophobicContact CD2-CG 4.03Å; L85-R88 HydrophobicContact CG-CG 4.23Å; L85-R88 WeakPolarHBondContact O-CG 3.46Å; L85-R88 PolarHBondContact O-NE 2.76Å; L85-R88 VanDerWaalsContact O-NE 3.14Å; L85-I96 HydrophobicContact CD1-CD1 4.32Å; L85-I96 HydrophobicContact CD2-CD1 3.61Å; L85-I96 HydrophobicContact CD2-CG1 4.16Å; L85-L167 HydrophobicContact CD1-CB 4.33Å; L85-L169 HydrophobicContact CB-CD2 4.45Å; L85-L169 HydrophobicContact CD1-CD2 4.1Å
86A92.6Very high87.7Confident21 Ų2164.4 Ų64.417%0.17433%0.325CS..SBendtrans-76.6-35.4-172.200000113E84 L116 Y168 K170 L242E84-A86 PolarHBondContact O-N 2.79Å; A86-L116 HydrophobicContact CB-CD1 4Å; A86-L116 HydrophobicContact CB-CD2 3.51Å; A86-L116 HydrophobicContact CB-CG 4.43Å; A86-Y168 WeakPolarHBondContact CB-O 3.18Å; A86-Y168 PolarHBondContact N-O 3.32Å; A86-K170 HydrophobicContact CB-CD 3.84Å; A86-K170 HydrophobicContact CB-CG 4.04Å; A86-L242 HydrophobicContact CB-CD2 4.18Å
87A92Very high88.1Confident1 Ų159 Ų591%0.00830%0.295CS..  trans-108.9102.1176.400000109.6Y109 K112 V113 L116 Y168A87-Y109 HydrophobicContact CB-CE2 4.26Å; A87-K112 HydrophobicContact CB-CB 4.5Å; A87-V113 HydrophobicContact CB-CB 4.44Å; A87-V113 HydrophobicContact CB-CG2 3.57Å; A87-L116 HydrophobicContact CB-CD2 4.28Å; A87-Y168 HydrophobicContact CB-CD2 4.34Å
88R90.5Very high88.7Confident81 Ų8154 Ų5431%0.30627%0.27SS..  trans-109.8123177-58.3-174.2-171.1-173.22109.6E84 L85 N90 K112E84-R88 IonicContact OE2-NH2 2.74Å; L85-R88 HydrophobicContact CB-CG 4.3Å; L85-R88 HydrophobicContact CD2-CG 4.03Å; L85-R88 HydrophobicContact CG-CG 4.23Å; L85-R88 WeakPolarHBondContact O-CG 3.46Å; L85-R88 PolarHBondContact O-NE 2.76Å; L85-R88 VanDerWaalsContact O-NE 3.14Å; R88-N90 VanDerWaalsContact C-N 3.26Å; R88-N90 WeakPolarHBondContact CB-O 3.24Å; R88-N90 PolarHBondContact O-N 3.4Å; R88-K112 WeakPolarHBondContact O-CD 3.43Å; R88-K112 WeakPolarHBondContact O-CG 3.31Å
89P86.9Confident89.2Confident22 Ų2246.4 Ų46.414%0.14324%0.241CC..SBendtrans-61.4-38.2177.623.7-30.8000111.4F95 P108P89-F95 VanDerWaalsContact CG-O 3.31Å; P89-F95 WeakPolarHBondContact CG-O 3.48Å; P89-P108 HydrophobicContact CB-CB 4.29Å
90N86Confident89.7Confident87 Ų8743.6 Ų43.647%0.46523%0.23SC..SBendtrans-122.4150.3178.4-73.2-38.3000111.4R88 N93R88-N90 VanDerWaalsContact C-N 3.26Å; R88-N90 WeakPolarHBondContact CB-O 3.24Å; R88-N90 PolarHBondContact O-N 3.4Å; N90-N93 WeakPolarHBondContact CB-OD1 3.42Å; N90-N93 PolarHBondContact ND2-OD1 2.84Å
91S81.8Confident89.9Confident111 Ų11144.8 Ų44.878%0.77624%0.235SC*.SBendtrans-78.8-19.7178.8-550000113.8
92F81.6Confident89.8Confident206 Ų20650.4 Ų50.490%0.90426%0.26SS*.SBendtrans-99.2-27.2-170.6-58.6-70.8000114.2
93N85.6Confident89.7Confident69 Ų6950.4 Ų50.437%0.36926%0.257SS..  trans-129.1160.3179.866.53.1000111.4N90 F95N90-N93 WeakPolarHBondContact CB-OD1 3.42Å; N90-N93 PolarHBondContact ND2-OD1 2.84Å; N93-F95 VanDerWaalsContact C-N 3.34Å
94T87.4Confident89.6Confident41 Ų4155.9 Ų55.925%0.25229%0.291SS..  trans-97.614177.9500000112.1F274 E275T94-F274 WeakPolarHBondContact O-CB 3.31Å; T94-E275 PolarHBondContact O-N 2.97Å
95F92.7Very high89.6Confident54 Ų5456 Ų5624%0.23729%0.293CS..EExtended strand (participates in β ladder)trans-77.1127.3-177.7-179.9-119.7000110.9P89 N93 H97 V255 E275 C277P89-F95 VanDerWaalsContact CG-O 3.31Å; P89-F95 WeakPolarHBondContact CG-O 3.48Å; N93-F95 VanDerWaalsContact C-N 3.34Å; F95-H97 HydrophobicContact CD1-CB 4.33Å; F95-H97 HydrophobicContact CE1-CB 3.6Å; F95-H97 HydrophobicContact CZ-CB 3.83Å; F95-V255 HydrophobicContact CE2-CG1 4.42Å; F95-V255 HydrophobicContact CE2-CG2 4.36Å; F95-E275 CarbonylContact C-O 3.5Å; F95-E275 WeakPolarHBondContact CA-O 3.37Å; F95-E275 HydrophobicContact CB-CB 4.5Å; F95-E275 HydrophobicContact CD2-CB 3.8Å; F95-C277 HydrophobicContact CE2-CB 3.81Å; F95-C277 HydrophobicContact CZ-CB 3.87Å
96I93.1Very high89.6Confident0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-116.7120.8175.5-55.5170.9000108.1L85 V98 Y109 L165 L167 E275 V276 C277L85-I96 HydrophobicContact CD1-CD1 4.32Å; L85-I96 HydrophobicContact CD2-CD1 3.61Å; L85-I96 HydrophobicContact CD2-CG1 4.16Å; I96-V98 HydrophobicContact CG2-CG1 4.28Å; I96-Y109 HydrophobicContact CD1-CE2 4.19Å; I96-Y109 HydrophobicContact CG2-CD2 3.93Å; I96-Y109 HydrophobicContact CG2-CE2 4.06Å; I96-Y109 HydrophobicContact CG2-CG 4.21Å; I96-L165 HydrophobicContact CG2-CD1 4.31Å; I96-L165 HydrophobicContact CG2-CD2 4.33Å; I96-L167 HydrophobicContact CD1-CD2 3.22Å; I96-E275 PolarHBondContact N-O 2.83Å; I96-V276 HydrophobicContact CB-CG1 4.27Å; I96-V276 HydrophobicContact CD1-CG1 4.3Å; I96-V276 CarbonylContact O-C 3.57Å; I96-V276 WeakPolarHBondContact O-CA 3.25Å; I96-C277 PolarHBondContact O-N 3.44Å
97H92.6Very high89.6Confident59 Ų5958.5 Ų58.527%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-120122.5178.3-174.4-146.7000109.2F95 I105 D279F95-H97 HydrophobicContact CD1-CB 4.33Å; F95-H97 HydrophobicContact CE1-CB 3.6Å; F95-H97 HydrophobicContact CZ-CB 3.83Å; H97-I105 HydrophobicContact CB-CG2 4.45Å; H97-I105 VanDerWaalsContact ND1-CG2 3.34Å; H97-I105 WeakPolarHBondContact ND1-CG2 3.31Å; H97-D279 IonicContact CD2-OD1 3.91Å; H97-D279 IonicContact CD2-OD2 3.94Å; H97-D279 IonicContact CE1-OD2 3.33Å; H97-D279 PolarHBondContact CE1-OD2 3.49Å; H97-D279 IonicContact NE2-OD1 2.7Å; H97-D279 PolarHBondContact NE2-OD1 3.4Å; H97-D279 IonicContact NE2-OD2 3.05Å; H97-D279 PolarHBondContact NE2-OD2 3.36Å
98V93.5Very high89.6Confident1 Ų161.7 Ų61.71%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-137.2154.9176.2-63.90000109.8I96 N106 Y109 I160 L165 C277 V278 D279I96-V98 HydrophobicContact CG2-CG1 4.28Å; V98-N106 VanDerWaalsContact CA-OD1 3.29Å; V98-N106 WeakPolarHBondContact CA-OD1 3.37Å; V98-Y109 HydrophobicContact CG1-CD1 4.02Å; V98-Y109 HydrophobicContact CG1-CG 4.37Å; V98-I160 HydrophobicContact CB-CG2 4.28Å; V98-I160 HydrophobicContact CG1-CD1 4.1Å; V98-L165 HydrophobicContact CG1-CD1 4.2Å; V98-L165 HydrophobicContact CG2-CD1 3.96Å; V98-L165 HydrophobicContact CG2-CD2 4.27Å; V98-L165 HydrophobicContact CG2-CG 4.48Å; V98-C277 PolarHBondContact N-O 2.93Å; V98-V278 HydrophobicContact CG2-CB 4.32Å; V98-V278 HydrophobicContact CG2-CG1 4.13Å; V98-V278 HydrophobicContact CG2-CG2 3.8Å; V98-V278 CarbonylContact O-C 3.56Å; V98-V278 WeakPolarHBondContact O-CA 3.38Å; V98-D279 PolarHBondContact O-N 3.32Å
99A93.4Very high89.8Confident0 Ų057.9 Ų57.90%031%0.307CS..EExtended strand (participates in β ladder)trans-116.1139.1174.500000109.8F101 N106 I160 D279A99-F101 HydrophobicContact CB-CD1 3.98Å; A99-F101 HydrophobicContact CB-CD2 4.36Å; A99-F101 HydrophobicContact CB-CE1 3.69Å; A99-F101 HydrophobicContact CB-CE2 4.1Å; A99-F101 HydrophobicContact CB-CG 4.31Å; A99-F101 HydrophobicContact CB-CZ 3.75Å; A99-F101 PolarHBondContact O-N 3.4Å; A99-N106 PolarHBondContact N-OD1 2.88Å; A99-N106 PolarHBondContact O-ND2 3.43Å; A99-N106 PolarHBondContact O-OD1 2.92Å; A99-I160 VanDerWaalsContact O-CG2 3.22Å; A99-I160 WeakPolarHBondContact O-CG2 3.01Å; A99-D279 CarbonylContact C-O 3.11Å; A99-D279 VanDerWaalsContact CA-O 3.32Å; A99-D279 WeakPolarHBondContact CA-O 3.27Å; A99-D279 HydrophobicContact CB-CB 4.3Å
100T91.3Very high90.1Very high18 Ų1857.4 Ų57.411%0.1130%0.303CS..SBendtrans-67.1-13.617760.70000113.3V278 D279 D280T100-V278 HydrophobicContact CG2-CG1 3.78Å; T100-D279 WeakPolarHBondContact CG2-O 3.15Å; T100-D279 PolarHBondContact N-O 2.9Å; T100-D279 PolarHBondContact OG1-O 3.15Å; T100-D280 WeakPolarHBondContact OG1-CA 3.42Å; T100-D280 PolarHBondContact OG1-OD1 3.41Å
101F90.2Very high90.5Very high75 Ų7557.5 Ų57.533%0.32930%0.304SS..SBendtrans-105.8162.5178.355.9-89.1000111.5A99 S103 N106 K281A99-F101 HydrophobicContact CB-CD1 3.98Å; A99-F101 HydrophobicContact CB-CD2 4.36Å; A99-F101 HydrophobicContact CB-CE1 3.69Å; A99-F101 HydrophobicContact CB-CE2 4.1Å; A99-F101 HydrophobicContact CB-CG 4.31Å; A99-F101 HydrophobicContact CB-CZ 3.75Å; A99-F101 PolarHBondContact O-N 3.4Å; F101-S103 PolarHBondContact O-N 2.86Å; F101-N106 PolarHBondContact O-ND2 3.16Å; F101-K281 HydrophobicContact CD1-CB 4Å; F101-K281 HydrophobicContact CE1-CB 4.45Å
102Q88.3Confident91.1Very high123 Ų12355.9 Ų55.958%0.57528%0.283SS*.SBendtrans-61.4107.6175.7-163.168.81200109.7E157Q102-E157 PolarHBondContact NE2-OE1 3.27Å
103S87.8Confident91.7Very high21 Ų2146.1 Ų46.115%0.14724%0.24CC..  trans-141.2148.8-176.7-177.40000110.5F101 I105 N106F101-S103 PolarHBondContact O-N 2.86Å; S103-I105 PolarHBondContact O-N 2.75Å; S103-I105 WeakPolarHBondContact OG-CB 3.48Å; S103-I105 WeakPolarHBondContact OG-CG1 3.22Å; S103-I105 PolarHBondContact OG-N 3.49Å; S103-N106 PolarHBondContact O-N 2.99Å
104T90.6Very high92.1Very high122 Ų12246.9 Ų46.975%0.74824%0.244SC*.G310 helixtrans-64.7-17.6171.252.80000112.3N106 Q107T104-N106 PolarHBondContact O-N 3.17Å; T104-Q107 WeakPolarHBondContact O-CB 3.5Å; T104-Q107 PolarHBondContact O-N 3.35Å
105I91.2Very high92.4Very high60 Ų6048.7 Ų48.731%0.30825%0.25SC..G310 helixtrans-60.5-32.5176.2-65169.9000111.6H97 S103 Q107 P108H97-I105 HydrophobicContact CB-CG2 4.45Å; H97-I105 VanDerWaalsContact ND1-CG2 3.34Å; H97-I105 WeakPolarHBondContact ND1-CG2 3.31Å; S103-I105 PolarHBondContact O-N 2.75Å; S103-I105 WeakPolarHBondContact OG-CB 3.48Å; S103-I105 WeakPolarHBondContact OG-CG1 3.22Å; S103-I105 PolarHBondContact OG-N 3.49Å; I105-Q107 VanDerWaalsContact C-N 3.34Å; I105-Q107 PolarHBondContact O-N 2.87Å; I105-P108 VanDerWaalsContact O-CD 3.26Å; I105-P108 WeakPolarHBondContact O-CD 3.36Å
106N91.8Very high92.4Very high5 Ų546.6 Ų46.63%0.02724%0.241CC..G310 helixtrans-75.3-24.4-176.6-65.2-17.1000113.2V98 A99 F101 S103 T104 Y109 I110V98-N106 VanDerWaalsContact CA-OD1 3.29Å; V98-N106 WeakPolarHBondContact CA-OD1 3.37Å; A99-N106 PolarHBondContact N-OD1 2.88Å; A99-N106 PolarHBondContact O-ND2 3.43Å; A99-N106 PolarHBondContact O-OD1 2.92Å; F101-N106 PolarHBondContact O-ND2 3.16Å; S103-N106 PolarHBondContact O-N 2.99Å; T104-N106 PolarHBondContact O-N 3.17Å; N106-Y109 PolarHBondContact O-N 3.39Å; N106-I110 HydrophobicContact CB-CD1 3.8Å; N106-I110 WeakPolarHBondContact O-CG1 3.03Å; N106-I110 PolarHBondContact O-N 2.83Å
107Q92.6Very high92.4Very high73 Ų7347.7 Ų47.734%0.34125%0.246SC..Hα-helixtrans-60.1-44.5-169.8-65.5-65.3-40.700114T104 I105 Y109 I110 N111T104-Q107 WeakPolarHBondContact O-CB 3.5Å; T104-Q107 PolarHBondContact O-N 3.35Å; I105-Q107 VanDerWaalsContact C-N 3.34Å; I105-Q107 PolarHBondContact O-N 2.87Å; Q107-Y109 VanDerWaalsContact C-N 3.27Å; Q107-Y109 PolarHBondContact O-N 2.84Å; Q107-I110 PolarHBondContact O-N 2.8Å; Q107-N111 VanDerWaalsContact O-CB 3.27Å; Q107-N111 WeakPolarHBondContact O-CB 3.04Å; Q107-N111 PolarHBondContact O-N 3.14Å; Q107-N111 PolarHBondContact O-ND2 3.48Å
108P92.9Very high92.4Very high67 Ų6748.6 Ų48.644%0.43526%0.258SS..Hα-helixtrans-59.4-37.4178-23.635.2000113.2P89 I105 K112P89-P108 HydrophobicContact CB-CB 4.29Å; I105-P108 VanDerWaalsContact O-CD 3.26Å; I105-P108 WeakPolarHBondContact O-CD 3.36Å; P108-K112 VanDerWaalsContact O-CG 3.25Å; P108-K112 WeakPolarHBondContact O-CG 3.5Å; P108-K112 PolarHBondContact O-N 2.89Å
109Y93.5Very high92.2Very high2 Ų254.4 Ų54.41%0.00828%0.284CS..Hα-helixtrans-73.3-49.9178.3-175.5-115.3000111.5A87 I96 V98 N106 Q107 N111 K112 V113 T156 I160 L165 C166A87-Y109 HydrophobicContact CB-CE2 4.26Å; I96-Y109 HydrophobicContact CD1-CE2 4.19Å; I96-Y109 HydrophobicContact CG2-CD2 3.93Å; I96-Y109 HydrophobicContact CG2-CE2 4.06Å; I96-Y109 HydrophobicContact CG2-CG 4.21Å; V98-Y109 HydrophobicContact CG1-CD1 4.02Å; V98-Y109 HydrophobicContact CG1-CG 4.37Å; N106-Y109 PolarHBondContact O-N 3.39Å; Q107-Y109 VanDerWaalsContact C-N 3.27Å; Q107-Y109 PolarHBondContact O-N 2.84Å; Y109-N111 PolarHBondContact O-N 2.03Å; Y109-K112 PolarHBondContact O-N 2.86Å; Y109-K112 VanDerWaalsContact O-N 3.07Å; Y109-V113 HydrophobicContact CD1-CG2 4.37Å; Y109-V113 HydrophobicContact CE1-CG2 3.98Å; Y109-V113 HydrophobicContact CE2-CG2 4.13Å; Y109-V113 WeakPolarHBondContact O-CG2 3.44Å; Y109-V113 PolarHBondContact O-N 3.08Å; Y109-T156 HydrophobicContact CD1-CG2 4.34Å; Y109-T156 HydrophobicContact CE1-CG2 4Å; Y109-I160 HydrophobicContact CD1-CD1 4.1Å; Y109-L165 HydrophobicContact CE1-CD1 3.93Å; Y109-C166 PolarHBondContact OH-O 3.48Å
110I93.8Very high92.1Very high11 Ų1155 Ų556%0.05629%0.286CS..Hα-helixtrans-57-48.6179.2-66.4169.1000110.5N106 Q107 K112 V113 D114 E157 I160N106-I110 HydrophobicContact CB-CD1 3.8Å; N106-I110 WeakPolarHBondContact O-CG1 3.03Å; N106-I110 PolarHBondContact O-N 2.83Å; Q107-I110 PolarHBondContact O-N 2.8Å; I110-K112 PolarHBondContact O-N 2.84Å; I110-V113 PolarHBondContact O-N 3.22Å; I110-D114 PolarHBondContact O-N 2.81Å; I110-E157 HydrophobicContact CD1-CB 4.07Å; I110-E157 HydrophobicContact CD1-CG 4.11Å; I110-I160 HydrophobicContact CD1-CD1 4.36Å; I110-I160 HydrophobicContact CG1-CD1 4.08Å
111N94.2Very high91.6Very high90 Ų9056.7 Ų56.748%0.48131%0.307SS..Hα-helixtrans-57.2-36178-71.2-21.1000112.7Q107 Y109 E115Q107-N111 VanDerWaalsContact O-CB 3.27Å; Q107-N111 WeakPolarHBondContact O-CB 3.04Å; Q107-N111 PolarHBondContact O-N 3.14Å; Q107-N111 PolarHBondContact O-ND2 3.48Å; Y109-N111 PolarHBondContact O-N 2.03Å; N111-E115 VanDerWaalsContact O-CB 3.32Å; N111-E115 WeakPolarHBondContact O-CB 3.47Å; N111-E115 PolarHBondContact O-N 2.89Å
112K94.1Very high90.7Very high77 Ų7757.2 Ų57.234%0.33532%0.32SS..Hα-helixtrans-74.5-32.2178.2-74.6-74.5168.1-1610112.8A87 R88 P108 Y109 I110 E115 L116A87-K112 HydrophobicContact CB-CB 4.5Å; R88-K112 WeakPolarHBondContact O-CD 3.43Å; R88-K112 WeakPolarHBondContact O-CG 3.31Å; P108-K112 VanDerWaalsContact O-CG 3.25Å; P108-K112 WeakPolarHBondContact O-CG 3.5Å; P108-K112 PolarHBondContact O-N 2.89Å; Y109-K112 PolarHBondContact O-N 2.86Å; Y109-K112 VanDerWaalsContact O-N 3.07Å; I110-K112 PolarHBondContact O-N 2.84Å; K112-E115 IonicContact NZ-OE2 3.42Å; K112-E115 PolarHBondContact NZ-OE2 3.2Å; K112-L116 WeakPolarHBondContact O-CB 3.49Å; K112-L116 PolarHBondContact O-N 3Å
113V94.6Very high89.7Confident0 Ų056.6 Ų56.60%032%0.316CS..Hα-helixtrans-70.2-42.8172.4178.20000110.6A87 Y109 I110 E115 L116 F117 T156 Y168A87-V113 HydrophobicContact CB-CB 4.44Å; A87-V113 HydrophobicContact CB-CG2 3.57Å; Y109-V113 HydrophobicContact CD1-CG2 4.37Å; Y109-V113 HydrophobicContact CE1-CG2 3.98Å; Y109-V113 HydrophobicContact CE2-CG2 4.13Å; Y109-V113 WeakPolarHBondContact O-CG2 3.44Å; Y109-V113 PolarHBondContact O-N 3.08Å; I110-V113 PolarHBondContact O-N 3.22Å; V113-E115 PolarHBondContact O-N 2.97Å; V113-L116 CarbonylContact O-C 3.55Å; V113-L116 WeakPolarHBondContact O-CA 3.34Å; V113-L116 VanDerWaalsContact O-CB 3.31Å; V113-L116 WeakPolarHBondContact O-CB 3.48Å; V113-L116 PolarHBondContact O-N 2.93Å; V113-L116 VanDerWaalsContact O-N 3.09Å; V113-F117 HydrophobicContact CG1-CD1 4.45Å; V113-F117 HydrophobicContact CG1-CD2 3.94Å; V113-F117 HydrophobicContact CG1-CE1 4.05Å; V113-F117 HydrophobicContact CG1-CE2 3.49Å; V113-F117 VanDerWaalsContact CG1-CE2 3.49Å; V113-F117 HydrophobicContact CG1-CG 4.41Å; V113-F117 HydrophobicContact CG1-CZ 3.57Å; V113-F117 WeakPolarHBondContact O-CG 3.36Å; V113-F117 PolarHBondContact O-N 3.2Å; V113-T156 HydrophobicContact CG1-CG2 4.47Å; V113-T156 VanDerWaalsContact CG1-OG1 3.3Å; V113-T156 WeakPolarHBondContact CG1-OG1 3.39Å; V113-T156 HydrophobicContact CG2-CG2 4.27Å; V113-Y168 HydrophobicContact CB-CE2 4.21Å; V113-Y168 HydrophobicContact CG1-CD2 4.11Å; V113-Y168 HydrophobicContact CG1-CE2 3.5Å; V113-Y168 HydrophobicContact CG2-CD2 3.86Å; V113-Y168 HydrophobicContact CG2-CE2 3.56Å
114D93.9Very high88.6Confident85 Ų8559.7 Ų59.746%0.45535%0.351SS..Hα-helixtrans-64-41.7175.5-68.1-25.3000111.6I110 L116 F117 S118I110-D114 PolarHBondContact O-N 2.81Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.16Å; D114-F117 PolarHBondContact O-N 3.42Å; D114-S118 WeakPolarHBondContact O-CB 3.4Å; D114-S118 PolarHBondContact O-N 3.32Å
115E93.8Very high87.8Confident79 Ų7958.2 Ų58.237%0.36934%0.342SS..Hα-helixtrans-59.4-40.4171.9-166.1-153.3131.200111N111 K112 V113 S118 K119N111-E115 VanDerWaalsContact O-CB 3.32Å; N111-E115 WeakPolarHBondContact O-CB 3.47Å; N111-E115 PolarHBondContact O-N 2.89Å; K112-E115 IonicContact NZ-OE2 3.42Å; K112-E115 PolarHBondContact NZ-OE2 3.2Å; V113-E115 PolarHBondContact O-N 2.97Å; E115-S118 PolarHBondContact O-OG 3.19Å; E115-K119 IonicContact OE1-NZ 3.25Å; E115-K119 PolarHBondContact OE1-NZ 3.47Å
116L93.6Very high87.2Confident11 Ų1156 Ų566%0.05833%0.331CS..Hα-helixtrans-63.3-51.3175.5177.767.5000110.9A86 A87 K112 V113 D114 S118 K119 Y120 Y168 L242A86-L116 HydrophobicContact CB-CD1 4Å; A86-L116 HydrophobicContact CB-CD2 3.51Å; A86-L116 HydrophobicContact CB-CG 4.43Å; A87-L116 HydrophobicContact CB-CD2 4.28Å; K112-L116 WeakPolarHBondContact O-CB 3.49Å; K112-L116 PolarHBondContact O-N 3Å; V113-L116 CarbonylContact O-C 3.55Å; V113-L116 WeakPolarHBondContact O-CA 3.34Å; V113-L116 VanDerWaalsContact O-CB 3.31Å; V113-L116 WeakPolarHBondContact O-CB 3.48Å; V113-L116 PolarHBondContact O-N 2.93Å; V113-L116 VanDerWaalsContact O-N 3.09Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.16Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 2.82Å; L116-K119 WeakPolarHBondContact O-CB 3.32Å; L116-K119 PolarHBondContact O-N 3.14Å; L116-Y120 HydrophobicContact CD1-CE2 3.9Å; L116-Y120 HydrophobicContact CG-CE2 4.21Å; L116-Y120 WeakPolarHBondContact O-CD2 3Å; L116-Y168 HydrophobicContact CD2-CG 4.45Å; L116-L242 HydrophobicContact CD2-CD1 4.12Å; L116-L242 HydrophobicContact CD2-CD2 4.49Å; L116-L242 HydrophobicContact CG-CD1 4.39Å
117F93.7Very high86.6Confident23 Ų2359.1 Ų59.110%0.10135%0.345CS..Hα-helixtrans-65.3-32.9-178-68.2-13.5000113.1V113 D114 K119 Y120 G121 L147 L150 Y168 L242V113-F117 HydrophobicContact CG1-CD1 4.45Å; V113-F117 HydrophobicContact CG1-CD2 3.94Å; V113-F117 HydrophobicContact CG1-CE1 4.05Å; V113-F117 HydrophobicContact CG1-CE2 3.49Å; V113-F117 VanDerWaalsContact CG1-CE2 3.49Å; V113-F117 HydrophobicContact CG1-CG 4.41Å; V113-F117 HydrophobicContact CG1-CZ 3.57Å; V113-F117 WeakPolarHBondContact O-CG 3.36Å; V113-F117 PolarHBondContact O-N 3.2Å; D114-F117 PolarHBondContact O-N 3.42Å; F117-K119 PolarHBondContact O-N 3.34Å; F117-K119 VanDerWaalsContact O-N 3.14Å; F117-Y120 PolarHBondContact O-N 3.44Å; F117-G121 PolarHBondContact O-N 3.23Å; F117-L147 HydrophobicContact CB-CD1 3.98Å; F117-L147 HydrophobicContact CD1-CD1 4.36Å; F117-L147 HydrophobicContact CD1-CD2 3.87Å; F117-L147 HydrophobicContact CE1-CD2 4.21Å; F117-L147 HydrophobicContact CG-CD1 4.15Å; F117-L147 HydrophobicContact CG-CD2 4.47Å; F117-L150 HydrophobicContact CE1-CD1 3.73Å; F117-L150 HydrophobicContact CZ-CD1 3.96Å; F117-Y168 HydrophobicContact CE1-CD1 4.1Å; F117-Y168 AromaticContact CE1-CE1 3.94Å; F117-Y168 HydrophobicContact CE1-CE1 3.94Å; F117-Y168 HydrophobicContact CZ-CD1 4.12Å; F117-Y168 AromaticContact CZ-CE1 3.49Å; F117-Y168 HydrophobicContact CZ-CE1 3.49Å; F117-Y168 VanDerWaalsContact CZ-CE1 3.49Å; F117-Y168 HydrophobicContact CZ-CE2 4.46Å; F117-Y168 AromaticContact CZ-CZ 3.69Å; F117-L242 HydrophobicContact CE1-CD1 4.39Å
118S91.8Very high86Confident77 Ų7762.8 Ų62.854%0.53836%0.362SS..Hα-helixtrans-56.1-31.4174.776.70000112.7D114 E115 L116 Y120 G121D114-S118 WeakPolarHBondContact O-CB 3.4Å; D114-S118 PolarHBondContact O-N 3.32Å; E115-S118 PolarHBondContact O-OG 3.19Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 2.82Å; S118-Y120 VanDerWaalsContact C-N 3.26Å; S118-Y120 PolarHBondContact O-N 3.49Å; S118-G121 PolarHBondContact O-N 3.19Å
119K90.1Very high85.1Confident123 Ų12360.8 Ų60.854%0.53535%0.349SS..THydrogen-bonded Turntrans-71.4-20.5177.5-61.7169.1-171.7167.30112.7E115 L116 F117E115-K119 IonicContact OE1-NZ 3.25Å; E115-K119 PolarHBondContact OE1-NZ 3.47Å; L116-K119 WeakPolarHBondContact O-CB 3.32Å; L116-K119 PolarHBondContact O-N 3.14Å; F117-K119 PolarHBondContact O-N 3.34Å; F117-K119 VanDerWaalsContact O-N 3.14Å
120Y90.1Very high83.9Confident12 Ų1266.9 Ų66.95%0.04739%0.393CS..THydrogen-bonded Turntrans-96.5-15.7178.7-66.6-89.6000113.3L116 F117 S118 S122 F145 L147 Q239 A240 L242L116-Y120 HydrophobicContact CD1-CE2 3.9Å; L116-Y120 HydrophobicContact CG-CE2 4.21Å; L116-Y120 WeakPolarHBondContact O-CD2 3Å; F117-Y120 PolarHBondContact O-N 3.44Å; S118-Y120 VanDerWaalsContact C-N 3.26Å; S118-Y120 PolarHBondContact O-N 3.49Å; Y120-S122 VanDerWaalsContact C-N 3.29Å; Y120-S122 PolarHBondContact O-N 3.42Å; Y120-F145 HydrophobicContact CD1-CB 3.94Å; Y120-F145 AromaticContact CD1-CD1 3.92Å; Y120-F145 HydrophobicContact CD1-CD1 3.92Å; Y120-F145 HydrophobicContact CD1-CG 4.29Å; Y120-F145 HydrophobicContact CE1-CB 4.17Å; Y120-F145 HydrophobicContact CE1-CD1 4.16Å; Y120-F145 HydrophobicContact CE1-CG 4.35Å; Y120-L147 HydrophobicContact CD2-CD2 4.45Å; Y120-L147 HydrophobicContact CG-CD2 4.15Å; Y120-Q239 HydrophobicContact CD1-CB 3.71Å; Y120-Q239 HydrophobicContact CD1-CG 3.72Å; Y120-Q239 HydrophobicContact CE1-CB 3.63Å; Y120-Q239 HydrophobicContact CE1-CG 4.03Å; Y120-Q239 PolarHBondContact O-NE2 3.23Å; Y120-Q239 VanDerWaalsContact O-NE2 3.11Å; Y120-A240 WeakPolarHBondContact CE1-O 3.37Å; Y120-A240 PolarHBondContact OH-O 3.29Å; Y120-L242 HydrophobicContact CD2-CD1 4.19Å; Y120-L242 HydrophobicContact CE1-CD1 4.49Å; Y120-L242 HydrophobicContact CE1-CG 4.36Å; Y120-L242 HydrophobicContact CE2-CD1 3.72Å; Y120-L242 HydrophobicContact CE2-CD2 4.38Å; Y120-L242 HydrophobicContact CE2-CG 4.19Å; Y120-L242 WeakPolarHBondContact OH-CD2 3.19Å
121G81.3Confident82.5Confident54 Ų5467.9 Ų67.956%0.55741%0.406SS*.  trans-68.5-21-177.600000115.4F117 S118 K123F117-G121 PolarHBondContact O-N 3.23Å; S118-G121 PolarHBondContact O-N 3.19Å; G121-K123 PolarHBondContact O-N 2.85Å
122S71.8Confident80.8Confident87 Ų8768.3 Ų68.361%0.60841%0.413SS*.  trans-78.579.8-178.5-64.70000111.8Y120 G124Y120-S122 VanDerWaalsContact C-N 3.29Å; Y120-S122 PolarHBondContact O-N 3.42Å; S122-G124 VanDerWaalsContact C-N 3.33Å; S122-G124 PolarHBondContact O-N 3Å
123K66.4Low79.1Confident109 Ų10965.7 Ų65.747%0.47441%0.408SS..G310 helixtrans-72.3-20.3178.9-67.1-167.8175.8-166.50114.4G121 V125 N126 D146G121-K123 PolarHBondContact O-N 2.85Å; K123-V125 PolarHBondContact O-N 2.84Å; K123-N126 PolarHBondContact O-N 2.94Å; K123-D146 IonicContact NZ-OD1 2.89Å
124G64.6Low77.4Confident87 Ų8769.6 Ų69.690%0.89743%0.428SS*.G310 helixtrans-63.8-13.3-166.300000117.1S122S122-G124 VanDerWaalsContact C-N 3.33Å; S122-G124 PolarHBondContact O-N 3Å
125V75Confident76Confident91 Ų9166.8 Ų66.855%0.55241%0.413SS*.G310 helixtrans-110.9-16.6-179.6-175.90000112.3K123K123-V125 PolarHBondContact O-N 2.84Å
126N77.7Confident74.4Confident14 Ų1468.8 Ų68.88%0.07543%0.432CS..  trans-107.9140.5-168.1-62-0.7000109.9K123 P142 N237 Q239K123-N126 PolarHBondContact O-N 2.94Å; N126-P142 WeakPolarHBondContact OD1-CG 3.48Å; N126-N237 PolarHBondContact ND2-O 2.97Å; N126-N237 VanDerWaalsContact ND2-O 3.14Å; N126-Q239 PolarHBondContact ND2-NE2 2.86Å
127E79.5Confident73Confident70 Ų7075.9 Ų75.933%0.32747%0.465SS..BIsolated β-bridgetrans-99.6154.4-178.5-72174.7176.900111.3H135 N138 V141 P142 C143 S144E127-H135 IonicContact OE2-CD2 2.75Å; E127-H135 IonicContact OE2-CE1 2.84Å; E127-H135 PolarHBondContact OE2-CE1 3.35Å; E127-H135 IonicContact OE2-CG 3.41Å; E127-H135 IonicContact OE2-ND1 2.76Å; E127-H135 PolarHBondContact OE2-ND1 2.9Å; E127-H135 IonicContact OE2-NE2 3.73Å; E127-H135 PolarHBondContact OE2-NE2 2.79Å; E127-N138 PolarHBondContact OE1-ND2 2.82Å; E127-V141 HydrophobicContact CB-CG1 4.09Å; E127-V141 HydrophobicContact CG-CG1 3.86Å; E127-P142 PolarHBondContact N-O 3.46Å; E127-C143 CarbonylContact O-C 3.59Å; E127-C143 WeakPolarHBondContact O-CA 3.38Å; E127-S144 PolarHBondContact O-N 2.9Å
128E78.9Confident72.1Confident149 Ų14978 Ų7870%0.69648%0.478SS*.PPolyproline II helixtrans-80.8119.2174.2-71.9-178-172.300110.5
129C75.6Confident71.3Confident25 Ų2577.4 Ų77.417%0.16947%0.472CS..PPolyproline II helixtrans-88.8117.7-176.2-68.50000111.9G131 C143 N228C129-G131 PolarHBondContact O-N 2.95Å; C129-C143 HydrophobicContact CB-CB 3.78Å; C129-C143 WeakPolarHBondContact CB-SG 3.49Å; C129-C143 WeakPolarHBondContact SG-CA 3.45Å; C129-C143 WeakPolarHBondContact SG-CB 3.48Å; C129-C143 CovalentContact SG-SG 2.02Å; C129-C143 PolarHBondContact SG-SG 3.42Å; C129-N228 HydrophobicContact CB-CB 4.19Å; C129-N228 PolarHBondContact O-ND2 2.97Å
130S67.9Low70.7Confident131 Ų13177.8 Ų77.892%0.91648%0.48SS*.  trans-79.5-8.7-177.6-64.10000114.9
131G63.7Low70.3Confident32 Ų3279 Ų7933%0.3349%0.488SS..SBendtrans-163.9170.9-177.500000114.5C129 N228C129-G131 PolarHBondContact O-N 2.95Å; G131-N228 WeakPolarHBondContact O-CB 3.23Å; G131-N228 PolarHBondContact O-OD1 2.67Å
132P59.7Low70.5Confident99 Ų9976.6 Ų76.664%0.64346%0.463SS*.SBendtrans-71.7138.3-176.128.5-35.2000111.9N227 N228P132-N227 HydrophobicContact CB-CB 3.64Å; P132-N228 WeakPolarHBondContact CA-OD1 3.3Å
133G58.1Low71.2Confident22 Ų2272.9 Ų72.923%0.22744%0.437CS..SBendtrans104.3-173.3-179.400000114.1F230G133-F230 WeakPolarHBondContact CA-O 3.23Å
134L58.4Low72.2Confident81 Ų8168.2 Ų68.242%0.42442%0.418SS..SBendtrans-56.8138.7178.7-79.5147.8000110.7P136 P139 P231 L233L134-P136 VanDerWaalsContact O-N 3.09Å; L134-P139 HydrophobicContact CD2-CB 3.78Å; L134-P139 VanDerWaalsContact CD2-O 3.31Å; L134-P139 WeakPolarHBondContact CD2-O 3.31Å; L134-P231 HydrophobicContact CD1-CG 4.31Å; L134-P231 HydrophobicContact CG-CG 4.25Å; L134-L233 HydrophobicContact CD1-CD1 4.15Å; L134-L233 HydrophobicContact CD2-CD1 3.5Å; L134-L233 VanDerWaalsContact CD2-CD1 3.5Å; L134-L233 HydrophobicContact CD2-CG 4.4Å; L134-L233 HydrophobicContact CG-CD1 4.35Å
135H63.8Low73.4Confident26 Ų2664.6 Ų64.612%0.1238%0.378CS..  trans-52.3121.5175.9-172.3-98.4000108.7E127 Q137 N138E127-H135 IonicContact OE2-CD2 2.75Å; E127-H135 IonicContact OE2-CE1 2.84Å; E127-H135 PolarHBondContact OE2-CE1 3.35Å; E127-H135 IonicContact OE2-CG 3.41Å; E127-H135 IonicContact OE2-ND1 2.76Å; E127-H135 PolarHBondContact OE2-ND1 2.9Å; E127-H135 IonicContact OE2-NE2 3.73Å; E127-H135 PolarHBondContact OE2-NE2 2.79Å; H135-Q137 PolarHBondContact O-N 2.95Å; H135-N138 WeakPolarHBondContact CB-O 3.21Å; H135-N138 PolarHBondContact ND1-N 3.01Å; H135-N138 CarbonylContact O-C 3.47Å; H135-N138 PolarHBondContact O-N 2.75Å
136P61.3Low74.1Confident121 Ų12163.3 Ų63.379%0.78637%0.368SS*.SBendtrans-62.8-22.5-164.519.6-31000113L134L134-P136 VanDerWaalsContact O-N 3.09Å
137Q64.6Low74.7Confident160 Ų16063.9 Ų63.975%0.74837%0.371SS*.SBendtrans-101.5-31.1-178.9-58.3-175.839.400112.9H135H135-Q137 PolarHBondContact O-N 2.95Å
138N74.2Confident75.2Confident68 Ų6863.4 Ų63.436%0.36438%0.375SS..  trans-140.584.7-170.6-75.4-27.3000111.1E127 H135 D140 V141E127-N138 PolarHBondContact OE1-ND2 2.82Å; H135-N138 WeakPolarHBondContact CB-O 3.21Å; H135-N138 PolarHBondContact ND1-N 3.01Å; H135-N138 CarbonylContact O-C 3.47Å; H135-N138 PolarHBondContact O-N 2.75Å; N138-D140 PolarHBondContact O-N 2.69Å; N138-V141 HydrophobicContact CB-CB 3.94Å; N138-V141 HydrophobicContact CB-CG2 3.71Å; N138-V141 PolarHBondContact O-N 3.48Å; N138-V141 VanDerWaalsContact O-N 3.09Å
139P74.3Confident75.9Confident65 Ų6559.2 Ų59.242%0.42236%0.36SS..THydrogen-bonded Turntrans-62.4-19.1-17625.4-34.9000114.2L134L134-P139 HydrophobicContact CD2-CB 3.78Å; L134-P139 VanDerWaalsContact CD2-O 3.31Å; L134-P139 WeakPolarHBondContact CD2-O 3.31Å
140D78Confident76.7Confident131 Ų13158 Ų5870%0.70135%0.352SS*.THydrogen-bonded Turntrans-89.3-10.3-179.9-65.2-35000113.7N138 M235N138-D140 PolarHBondContact O-N 2.69Å; D140-M235 WeakPolarHBondContact O-CG 2.74Å
141V82.4Confident77.8Confident36 Ų3653.4 Ų53.422%0.21833%0.325CS..SBendtrans-94.2124.1-178.6177.30000109.4E127 N138E127-V141 HydrophobicContact CB-CG1 4.09Å; E127-V141 HydrophobicContact CG-CG1 3.86Å; N138-V141 HydrophobicContact CB-CB 3.94Å; N138-V141 HydrophobicContact CB-CG2 3.71Å; N138-V141 PolarHBondContact O-N 3.48Å; N138-V141 VanDerWaalsContact O-N 3.09Å
142P84.7Confident79.2Confident4 Ų456 Ų563%0.02633%0.328CS..PPolyproline II helixtrans-77151.2179.534.2-36.9000111.9N126 E127 M235 N236 Y238N126-P142 WeakPolarHBondContact OD1-CG 3.48Å; E127-P142 PolarHBondContact N-O 3.46Å; P142-M235 HydrophobicContact CB-CB 4.03Å; P142-M235 HydrophobicContact CB-SD 4.04Å; P142-M235 HydrophobicContact CG-CB 4.33Å; P142-N236 WeakPolarHBondContact CG-O 3.4Å; P142-Y238 HydrophobicContact CB-CD2 3.97Å
143C86.8Confident80.8Confident10 Ų1051.2 Ų51.27%0.06830%0.297CS..BIsolated β-bridgetrans-67.2136.1172-55.80000111.5E127 C129 N228 Y229E127-C143 CarbonylContact O-C 3.59Å; E127-C143 WeakPolarHBondContact O-CA 3.38Å; C129-C143 HydrophobicContact CB-CB 3.78Å; C129-C143 WeakPolarHBondContact CB-SG 3.49Å; C129-C143 WeakPolarHBondContact SG-CA 3.45Å; C129-C143 WeakPolarHBondContact SG-CB 3.48Å; C129-C143 CovalentContact SG-SG 2.02Å; C129-C143 PolarHBondContact SG-SG 3.42Å; C143-N228 PolarHBondContact SG-O 2.79Å; C143-Y229 HydrophobicContact CB-CD1 3.84Å; C143-Y229 HydrophobicContact CB-CE1 3.88Å
144S88Confident82.4Confident11 Ų1154.8 Ų54.88%0.07731%0.308CS..PPolyproline II helixtrans-74.4134.8169.794.90000110.1E127 Y229E127-S144 PolarHBondContact O-N 2.9Å; S144-Y229 PolarHBondContact O-OH 2.87Å
145F89.6Confident84Confident10 Ų1054.2 Ų54.24%0.04431%0.311CS..PPolyproline II helixtrans-98.8119.9175.1179.8-92.7000109.4Y120 L147 L150 Y229 Q239 P241 L242Y120-F145 HydrophobicContact CD1-CB 3.94Å; Y120-F145 AromaticContact CD1-CD1 3.92Å; Y120-F145 HydrophobicContact CD1-CD1 3.92Å; Y120-F145 HydrophobicContact CD1-CG 4.29Å; Y120-F145 HydrophobicContact CE1-CB 4.17Å; Y120-F145 HydrophobicContact CE1-CD1 4.16Å; Y120-F145 HydrophobicContact CE1-CG 4.35Å; F145-L147 HydrophobicContact CD1-CD2 4.18Å; F145-L147 HydrophobicContact CE1-CD2 4.14Å; F145-L150 HydrophobicContact CE1-CD2 4.48Å; F145-L150 HydrophobicContact CE1-CG 4.46Å; F145-L150 HydrophobicContact CZ-CD2 4.24Å; F145-Y229 WeakPolarHBondContact CA-OH 3.16Å; F145-Y229 HydrophobicContact CB-CE1 3.88Å; F145-Y229 AromaticContact CD2-CE1 3.99Å; F145-Y229 HydrophobicContact CD2-CE1 3.99Å; F145-Y229 HydrophobicContact CD2-CE2 4.15Å; F145-Y229 AromaticContact CD2-CZ 3.6Å; F145-Y229 WeakPolarHBondContact CD2-OH 3.39Å; F145-Y229 HydrophobicContact CG-CE1 4.46Å; F145-Q239 HydrophobicContact CB-CB 4.08Å; F145-P241 HydrophobicContact CD2-CB 4.09Å; F145-P241 HydrophobicContact CE2-CB 4.08Å; F145-L242 HydrophobicContact CE1-CB 3.81Å; F145-L242 HydrophobicContact CE1-CD1 4.3Å; F145-L242 HydrophobicContact CE1-CG 4.12Å; F145-L242 HydrophobicContact CZ-CB 3.75Å; F145-L242 HydrophobicContact CZ-CG 4.48Å; F145-L242 VanDerWaalsContact CZ-O 3.31Å; F145-L242 WeakPolarHBondContact CZ-O 3.21Å
146D88.9Confident85.2Confident64 Ų6453.3 Ų53.334%0.34231%0.307SS..PPolyproline II helixtrans-84.1122.3178-166.511000111.3K123 S148 V149K123-D146 IonicContact NZ-OD1 2.89Å; D146-S148 PolarHBondContact O-N 3.43Å; D146-S148 PolarHBondContact OD1-N 2.89Å; D146-S148 WeakPolarHBondContact OD2-CB 3.49Å; D146-S148 PolarHBondContact OD2-OG 2.87Å; D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 WeakPolarHBondContact O-CG2 3.16Å; D146-V149 PolarHBondContact O-N 3.07Å
147L91.2Very high86.6Confident27 Ų2751.7 Ų51.714%0.14129%0.289CS..G310 helixtrans-68.9-18.1179.1-65.8176.6000112.5F117 Y120 F145 V149 L150 L242F117-L147 HydrophobicContact CB-CD1 3.98Å; F117-L147 HydrophobicContact CD1-CD1 4.36Å; F117-L147 HydrophobicContact CD1-CD2 3.87Å; F117-L147 HydrophobicContact CE1-CD2 4.21Å; F117-L147 HydrophobicContact CG-CD1 4.15Å; F117-L147 HydrophobicContact CG-CD2 4.47Å; Y120-L147 HydrophobicContact CD2-CD2 4.45Å; Y120-L147 HydrophobicContact CG-CD2 4.15Å; F145-L147 HydrophobicContact CD1-CD2 4.18Å; F145-L147 HydrophobicContact CE1-CD2 4.14Å; L147-V149 PolarHBondContact O-N 3.09Å; L147-L150 HydrophobicContact CD2-CD1 4.02Å; L147-L150 WeakPolarHBondContact O-CB 3.27Å; L147-L150 PolarHBondContact O-N 3.25Å; L147-L150 VanDerWaalsContact O-N 3.09Å; L147-L242 HydrophobicContact CD2-CD1 4.39Å
148S90.3Very high87.9Confident60 Ų6050.3 Ų50.342%0.4228%0.28SS..G310 helixtrans-59.3-27.4176.673.90000112.8D146 L150 G151D146-S148 PolarHBondContact O-N 3.43Å; D146-S148 PolarHBondContact OD1-N 2.89Å; D146-S148 WeakPolarHBondContact OD2-CB 3.49Å; D146-S148 PolarHBondContact OD2-OG 2.87Å; S148-L150 PolarHBondContact O-N 3.3Å; S148-G151 PolarHBondContact O-N 3.42Å; S148-G151 VanDerWaalsContact O-N 3.09Å
149V91.9Very high88.7Confident61 Ų6147.2 Ų47.237%0.3726%0.264SS..G310 helixtrans-64.2-21178.9-176.10000111.9D146 L147 G151 P212D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 WeakPolarHBondContact O-CG2 3.16Å; D146-V149 PolarHBondContact O-N 3.07Å; L147-V149 PolarHBondContact O-N 3.09Å; V149-G151 PolarHBondContact O-N 2.02Å; V149-P212 HydrophobicContact CG1-CB 3.67Å; V149-P212 HydrophobicContact CG1-CG 3.67Å
150L93.3Very high89.6Confident0 Ų044.3 Ų44.30%025%0.245CC..G310 helixtrans-76-4.1177.2-55.9178.5000113.3F117 F145 L147 S148 E152 C153 Y168 F211 L242 A244F117-L150 HydrophobicContact CE1-CD1 3.73Å; F117-L150 HydrophobicContact CZ-CD1 3.96Å; F145-L150 HydrophobicContact CE1-CD2 4.48Å; F145-L150 HydrophobicContact CE1-CG 4.46Å; F145-L150 HydrophobicContact CZ-CD2 4.24Å; L147-L150 HydrophobicContact CD2-CD1 4.02Å; L147-L150 WeakPolarHBondContact O-CB 3.27Å; L147-L150 PolarHBondContact O-N 3.25Å; L147-L150 VanDerWaalsContact O-N 3.09Å; S148-L150 PolarHBondContact O-N 3.3Å; L150-E152 PolarHBondContact O-N 3.2Å; L150-C153 WeakPolarHBondContact O-CB 3.3Å; L150-C153 PolarHBondContact O-N 3.17Å; L150-C153 VanDerWaalsContact O-N 3.08Å; L150-Y168 HydrophobicContact CD1-CD1 4.2Å; L150-Y168 HydrophobicContact CD1-CE1 4.14Å; L150-F211 WeakPolarHBondContact O-CB 3.49Å; L150-F211 WeakPolarHBondContact O-CG 3.43Å; L150-L242 HydrophobicContact CD1-CD1 4.37Å; L150-L242 HydrophobicContact CD2-CB 4.11Å; L150-A244 HydrophobicContact CB-CB 4.44Å; L150-A244 HydrophobicContact CD2-CB 4.01Å
151G91.5Very high90.2Very high34 Ų3441.8 Ų41.835%0.35123%0.231SC..G310 helixtrans56.8-130172.600000113.2S148 V149 C153 Q154S148-G151 PolarHBondContact O-N 3.42Å; S148-G151 VanDerWaalsContact O-N 3.09Å; V149-G151 PolarHBondContact O-N 2.02Å; G151-C153 PolarHBondContact O-N 3.18Å; G151-C153 VanDerWaalsContact O-N 3.15Å; G151-Q154 WeakPolarHBondContact O-CB 3.45Å; G151-Q154 PolarHBondContact O-N 3.16Å; G151-Q154 VanDerWaalsContact O-N 3.08Å
152E92Very high90.6Very high85 Ų8544.7 Ų44.740%0.39724%0.242SC..G310 helixtrans-57.4-29.3179.1-67.2-179.2-161.200112.7L150 Q154 S155 T159 K164 F211 Q246L150-E152 PolarHBondContact O-N 3.2Å; E152-Q154 PolarHBondContact O-N 3.5Å; E152-S155 PolarHBondContact O-N 3.32Å; E152-T159 PolarHBondContact O-OG1 3.2Å; E152-T159 VanDerWaalsContact O-OG1 3.09Å; E152-K164 IonicContact OE2-NZ 2.85Å; E152-K164 PolarHBondContact OE2-NZ 3.23Å; E152-F211 HydrophobicContact CB-CZ 4.31Å; E152-F211 HydrophobicContact CG-CZ 4.47Å; E152-Q246 PolarHBondContact OE2-NE2 2.99Å
153C93.5Very high90.8Very high0 Ų044.7 Ų44.70%024%0.243CC..G310 helixtrans-76.33.1-179.7-670000113.6L150 G151 S155 C166 Y168 A244L150-C153 WeakPolarHBondContact O-CB 3.3Å; L150-C153 PolarHBondContact O-N 3.17Å; L150-C153 VanDerWaalsContact O-N 3.08Å; G151-C153 PolarHBondContact O-N 3.18Å; G151-C153 VanDerWaalsContact O-N 3.15Å; C153-S155 VanDerWaalsContact C-N 3.28Å; C153-C166 WeakPolarHBondContact CA-SG 3.29Å; C153-C166 HydrophobicContact CB-CB 3.61Å; C153-C166 WeakPolarHBondContact CB-SG 3.32Å; C153-C166 WeakPolarHBondContact SG-CB 2.99Å; C153-C166 CovalentContact SG-SG 2.04Å; C153-C166 PolarHBondContact SG-SG 3.05Å; C153-Y168 HydrophobicContact CB-CE1 4.08Å; C153-Y168 WeakPolarHBondContact O-CE1 3.45Å; C153-Y168 PolarHBondContact O-OH 3.26Å; C153-A244 HydrophobicContact CB-CB 3.52Å
154Q92Very high91.1Very high97 Ų9746.4 Ų46.445%0.45325%0.249SC..G310 helixtrans-68.7-31.2170.1-170.8-179.9-3.600111.7G151 E152G151-Q154 WeakPolarHBondContact O-CB 3.45Å; G151-Q154 PolarHBondContact O-N 3.16Å; G151-Q154 VanDerWaalsContact O-N 3.08Å; E152-Q154 PolarHBondContact O-N 3.5Å
155S91.2Very high91.3Very high69 Ų6945.9 Ų45.948%0.48325%0.246SC..SBendtrans-106.373.1-177.9-630000111.6E152 C153 E157 K158 T159E152-S155 PolarHBondContact O-N 3.32Å; C153-S155 VanDerWaalsContact C-N 3.28Å; S155-E157 VanDerWaalsContact C-N 3.34Å; S155-E157 PolarHBondContact O-N 2.92Å; S155-K158 PolarHBondContact O-N 3.28Å; S155-K158 VanDerWaalsContact O-N 3.11Å; S155-T159 PolarHBondContact O-N 3.3Å; S155-T159 PolarHBondContact O-OG1 3.13Å
156T90.3Very high91.6Very high6 Ų645.5 Ų45.54%0.03724%0.244CC..Hα-helixtrans-53.5-44.5-171.1-45.80000113.9Y109 V113 K158 T159 I160 Y168Y109-T156 HydrophobicContact CD1-CG2 4.34Å; Y109-T156 HydrophobicContact CE1-CG2 4Å; V113-T156 HydrophobicContact CG1-CG2 4.47Å; V113-T156 VanDerWaalsContact CG1-OG1 3.3Å; V113-T156 WeakPolarHBondContact CG1-OG1 3.39Å; V113-T156 HydrophobicContact CG2-CG2 4.27Å; T156-K158 PolarHBondContact O-N 3.1Å; T156-T159 PolarHBondContact O-N 3.1Å; T156-I160 HydrophobicContact CG2-CD1 3.88Å; T156-I160 HydrophobicContact CG2-CG1 4.49Å; T156-I160 VanDerWaalsContact O-CG1 3.28Å; T156-I160 WeakPolarHBondContact O-CG1 3.45Å; T156-I160 PolarHBondContact O-N 3.04Å; T156-Y168 PolarHBondContact OG1-OH 3.05Å
157E90.4Very high91.9Very high87 Ų8742.4 Ų42.441%0.40723%0.228SC..Hα-helixtrans-60.8-46179.7-175174.4-157.500111.6Q102 I110 S155 T159 I160 L161Q102-E157 PolarHBondContact NE2-OE1 3.27Å; I110-E157 HydrophobicContact CD1-CB 4.07Å; I110-E157 HydrophobicContact CD1-CG 4.11Å; S155-E157 VanDerWaalsContact C-N 3.34Å; S155-E157 PolarHBondContact O-N 2.92Å; E157-T159 PolarHBondContact O-N 3.16Å; E157-I160 PolarHBondContact O-N 2.86Å; E157-L161 HydrophobicContact CG-CD1 4.29Å; E157-L161 WeakPolarHBondContact O-CG 3.41Å; E157-L161 PolarHBondContact O-N 2.88Å; E157-L161 VanDerWaalsContact O-N 3.07Å
158K92Very high92.1Very high131 Ų13141.1 Ų41.157%0.5722%0.221SC*.Hα-helixtrans-62.5-44177.5-173.1-174.4177.8-164.80111.2S155 T156 I160 L161 E162S155-K158 PolarHBondContact O-N 3.28Å; S155-K158 VanDerWaalsContact O-N 3.11Å; T156-K158 PolarHBondContact O-N 3.1Å; K158-I160 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.95Å; K158-L161 PolarHBondContact O-N 3.27Å; K158-E162 VanDerWaalsContact CE-OE1 3.22Å; K158-E162 WeakPolarHBondContact CE-OE1 3.34Å; K158-E162 IonicContact NZ-OE1 3.48Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.66Å
159T91.3Very high92.4Very high3 Ų338.3 Ų38.32%0.01820%0.201CC..Hα-helixtrans-63.1-41.4-179.2-40.60000111.4E152 S155 T156 E157 E162 G163 K164 C166E152-T159 PolarHBondContact O-OG1 3.2Å; E152-T159 VanDerWaalsContact O-OG1 3.09Å; S155-T159 PolarHBondContact O-N 3.3Å; S155-T159 PolarHBondContact O-OG1 3.13Å; T156-T159 PolarHBondContact O-N 3.1Å; E157-T159 PolarHBondContact O-N 3.16Å; T159-E162 WeakPolarHBondContact O-CB 3.13Å; T159-E162 PolarHBondContact O-N 3.27Å; T159-G163 PolarHBondContact O-N 3Å; T159-K164 CarbonylContact C-O 3.59Å; T159-K164 HydrophobicContact CG2-CB 3.57Å; T159-K164 HydrophobicContact CG2-CD 4.31Å; T159-K164 CarbonylContact O-C 3.58Å; T159-K164 WeakPolarHBondContact O-CA 3.28Å; T159-K164 PolarHBondContact O-N 3.21Å; T159-C166 WeakPolarHBondContact CG2-SG 3.02Å
160I91.9Very high92.5Very high4 Ų437.2 Ų37.22%0.02119%0.192CC..Hα-helixtrans-61.8-44.5176.1-69.3167.5000110.9V98 A99 Y109 I110 T156 E157 K158 E162 G163 K164V98-I160 HydrophobicContact CB-CG2 4.28Å; V98-I160 HydrophobicContact CG1-CD1 4.1Å; A99-I160 VanDerWaalsContact O-CG2 3.22Å; A99-I160 WeakPolarHBondContact O-CG2 3.01Å; Y109-I160 HydrophobicContact CD1-CD1 4.1Å; I110-I160 HydrophobicContact CD1-CD1 4.36Å; I110-I160 HydrophobicContact CG1-CD1 4.08Å; T156-I160 HydrophobicContact CG2-CD1 3.88Å; T156-I160 HydrophobicContact CG2-CG1 4.49Å; T156-I160 VanDerWaalsContact O-CG1 3.28Å; T156-I160 WeakPolarHBondContact O-CG1 3.45Å; T156-I160 PolarHBondContact O-N 3.04Å; E157-I160 PolarHBondContact O-N 2.86Å; K158-I160 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.95Å; I160-E162 VanDerWaalsContact C-N 3.31Å; I160-E162 PolarHBondContact O-N 3.33Å; I160-G163 WeakPolarHBondContact O-CA 3.32Å; I160-G163 PolarHBondContact O-N 2.88Å; I160-K164 WeakPolarHBondContact CA-O 3.46Å; I160-K164 PolarHBondContact N-O 3.42Å
161L90.5Very high92.4Very high79 Ų7937.6 Ų37.641%0.41419%0.193SC..Hα-helixtrans-66.9-28.3178-68.1173.3000113.4E157 K158 G163E157-L161 HydrophobicContact CG-CD1 4.29Å; E157-L161 WeakPolarHBondContact O-CG 3.41Å; E157-L161 PolarHBondContact O-N 2.88Å; E157-L161 VanDerWaalsContact O-N 3.07Å; K158-L161 PolarHBondContact O-N 3.27Å; L161-G163 PolarHBondContact O-N 3.4Å
162E90.6Very high92.5Very high96 Ų9638.8 Ų38.845%0.44919%0.192SC..THydrogen-bonded Turntrans-71.7-3.5168.7-71.4177-167.200112.9K158 T159 I160 K164K158-E162 VanDerWaalsContact CE-OE1 3.22Å; K158-E162 WeakPolarHBondContact CE-OE1 3.34Å; K158-E162 IonicContact NZ-OE1 3.48Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.66Å; T159-E162 WeakPolarHBondContact O-CB 3.13Å; T159-E162 PolarHBondContact O-N 3.27Å; I160-E162 VanDerWaalsContact C-N 3.31Å; I160-E162 PolarHBondContact O-N 3.33Å; E162-K164 IonicContact OE2-NZ 3.87Å; E162-K164 PolarHBondContact OE2-NZ 3.01Å
163G89.1Confident92.4Very high5 Ų540.4 Ų40.45%0.05219%0.194CC..THydrogen-bonded Turntrans82.716.4-176.200000113.7T159 I160 L161 R252T159-G163 PolarHBondContact O-N 3Å; I160-G163 WeakPolarHBondContact O-CA 3.32Å; I160-G163 PolarHBondContact O-N 2.88Å; L161-G163 PolarHBondContact O-N 3.4Å; G163-R252 PolarHBondContact O-NH1 2.86Å; G163-R252 PolarHBondContact O-NH2 2.86Å
164K92.6Very high92.2Very high45 Ų4541.4 Ų41.420%0.19620%0.2CC..  trans-110.5133.2179.9-54.9176.2-166150.50109.8E152 T159 I160 E162 Q246 L247E152-K164 IonicContact OE2-NZ 2.85Å; E152-K164 PolarHBondContact OE2-NZ 3.23Å; T159-K164 CarbonylContact C-O 3.59Å; T159-K164 HydrophobicContact CG2-CB 3.57Å; T159-K164 HydrophobicContact CG2-CD 4.31Å; T159-K164 CarbonylContact O-C 3.58Å; T159-K164 WeakPolarHBondContact O-CA 3.28Å; T159-K164 PolarHBondContact O-N 3.21Å; I160-K164 WeakPolarHBondContact CA-O 3.46Å; I160-K164 PolarHBondContact N-O 3.42Å; E162-K164 IonicContact OE2-NZ 3.87Å; E162-K164 PolarHBondContact OE2-NZ 3.01Å; K164-Q246 HydrophobicContact CB-CG 4.14Å; K164-Q246 HydrophobicContact CD-CG 4.38Å; K164-L247 WeakPolarHBondContact CA-O 3.43Å
165L94.2Very high92Very high1 Ų139.7 Ų39.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-99.4120.1175.9174.758000109.9I96 V98 Y109 L167 Q246 L247 V276 V278I96-L165 HydrophobicContact CG2-CD1 4.31Å; I96-L165 HydrophobicContact CG2-CD2 4.33Å; V98-L165 HydrophobicContact CG1-CD1 4.2Å; V98-L165 HydrophobicContact CG2-CD1 3.96Å; V98-L165 HydrophobicContact CG2-CD2 4.27Å; V98-L165 HydrophobicContact CG2-CG 4.48Å; Y109-L165 HydrophobicContact CE1-CD1 3.93Å; L165-L167 HydrophobicContact CD1-CD2 4.3Å; L165-L167 HydrophobicContact CD2-CD2 4.02Å; L165-L167 HydrophobicContact CG-CD2 3.98Å; L165-L167 HydrophobicContact CG-CG 4.3Å; L165-Q246 CarbonylContact O-C 3.45Å; L165-Q246 WeakPolarHBondContact O-CA 3.46Å; L165-L247 HydrophobicContact CB-CB 4.4Å; L165-L247 HydrophobicContact CD2-CD1 4.4Å; L165-L247 PolarHBondContact N-O 3.1Å; L165-L247 VanDerWaalsContact N-O 3.07Å; L165-L247 PolarHBondContact O-N 3.01Å; L165-V276 HydrophobicContact CD2-CB 4Å; L165-V276 HydrophobicContact CD2-CG1 3.94Å; L165-V278 HydrophobicContact CB-CG2 4.07Å; L165-V278 HydrophobicContact CD2-CG2 3.95Å
166C95.4Very high91.8Very high1 Ų137.8 Ų37.81%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-96.4130.3171-71.10000110.6Y109 C153 T159 Y168 V245Y109-C166 PolarHBondContact OH-O 3.48Å; C153-C166 WeakPolarHBondContact CA-SG 3.29Å; C153-C166 HydrophobicContact CB-CB 3.61Å; C153-C166 WeakPolarHBondContact CB-SG 3.32Å; C153-C166 WeakPolarHBondContact SG-CB 2.99Å; C153-C166 CovalentContact SG-SG 2.04Å; C153-C166 PolarHBondContact SG-SG 3.05Å; T159-C166 WeakPolarHBondContact CG2-SG 3.02Å; C166-Y168 HydrophobicContact CB-CE2 4.41Å; C166-V245 CarbonylContact C-O 3.55Å; C166-V245 WeakPolarHBondContact CA-O 3.26Å
167L95.2Very high91.7Very high0 Ų038.2 Ų38.20%018%0.182CC..EExtended strand (participates in β ladder)trans-115.3134.7177.8-55.9169.5000109.2L85 I96 L165 A244 V245 L247 F274 V276L85-L167 HydrophobicContact CD1-CB 4.33Å; I96-L167 HydrophobicContact CD1-CD2 3.22Å; L165-L167 HydrophobicContact CD1-CD2 4.3Å; L165-L167 HydrophobicContact CD2-CD2 4.02Å; L165-L167 HydrophobicContact CG-CD2 3.98Å; L165-L167 HydrophobicContact CG-CG 4.3Å; L167-A244 CarbonylContact O-C 3.47Å; L167-A244 VanDerWaalsContact O-CA 3.29Å; L167-A244 WeakPolarHBondContact O-CA 3.36Å; L167-V245 HydrophobicContact CB-CB 4.27Å; L167-V245 PolarHBondContact N-O 3.43Å; L167-V245 PolarHBondContact O-N 3.44Å; L167-L247 HydrophobicContact CD1-CD1 3.76Å; L167-L247 HydrophobicContact CD1-CG 4.16Å; L167-F274 HydrophobicContact CD1-CD2 4.27Å; L167-F274 HydrophobicContact CD1-CE2 3.25Å; L167-F274 HydrophobicContact CD1-CZ 3.6Å; L167-F274 HydrophobicContact CG-CE2 4.44Å; L167-V276 HydrophobicContact CD1-CG1 4.4Å; L167-V276 HydrophobicContact CD2-CG1 4.23Å
168Y95.6Very high91.6Very high0 Ų039 Ų390%019%0.189CC..EExtended strand (participates in β ladder)trans-107.4115.2-176.8-53.6-85.5000110.1A86 A87 V113 L116 F117 L150 C153 T156 C166 A244A86-Y168 WeakPolarHBondContact CB-O 3.18Å; A86-Y168 PolarHBondContact N-O 3.32Å; A87-Y168 HydrophobicContact CB-CD2 4.34Å; V113-Y168 HydrophobicContact CB-CE2 4.21Å; V113-Y168 HydrophobicContact CG1-CD2 4.11Å; V113-Y168 HydrophobicContact CG1-CE2 3.5Å; V113-Y168 HydrophobicContact CG2-CD2 3.86Å; V113-Y168 HydrophobicContact CG2-CE2 3.56Å; L116-Y168 HydrophobicContact CD2-CG 4.45Å; F117-Y168 HydrophobicContact CE1-CD1 4.1Å; F117-Y168 AromaticContact CE1-CE1 3.94Å; F117-Y168 HydrophobicContact CE1-CE1 3.94Å; F117-Y168 HydrophobicContact CZ-CD1 4.12Å; F117-Y168 AromaticContact CZ-CE1 3.49Å; F117-Y168 HydrophobicContact CZ-CE1 3.49Å; F117-Y168 VanDerWaalsContact CZ-CE1 3.49Å; F117-Y168 HydrophobicContact CZ-CE2 4.46Å; F117-Y168 AromaticContact CZ-CZ 3.69Å; L150-Y168 HydrophobicContact CD1-CD1 4.2Å; L150-Y168 HydrophobicContact CD1-CE1 4.14Å; C153-Y168 HydrophobicContact CB-CE1 4.08Å; C153-Y168 WeakPolarHBondContact O-CE1 3.45Å; C153-Y168 PolarHBondContact O-OH 3.26Å; T156-Y168 PolarHBondContact OG1-OH 3.05Å; C166-Y168 HydrophobicContact CB-CE2 4.41Å; Y168-A244 HydrophobicContact CD1-CB 3.97Å; Y168-A244 HydrophobicContact CE1-CB 3.97Å
169L95.5Very high91.4Very high0 Ų033.9 Ų33.90%017%0.169CC..EExtended strand (participates in β ladder)trans-107147.6179.6-59.5174.8000110I83 L85 I192 V243 V245 C260 T272 F274I83-L169 HydrophobicContact CG2-CB 4.03Å; I83-L169 HydrophobicContact CG2-CD1 4.49Å; I83-L169 HydrophobicContact CG2-CD2 4.12Å; I83-L169 HydrophobicContact CG2-CG 4.45Å; L85-L169 HydrophobicContact CB-CD2 4.45Å; L85-L169 HydrophobicContact CD1-CD2 4.1Å; L169-I192 HydrophobicContact CB-CD1 3.94Å; L169-I192 HydrophobicContact CD1-CD1 4.41Å; L169-I192 HydrophobicContact CD1-CG2 3.76Å; L169-V243 PolarHBondContact N-O 2.75Å; L169-V243 PolarHBondContact O-N 3.46Å; L169-V245 HydrophobicContact CD1-CG2 3.55Å; L169-V245 HydrophobicContact CG-CG2 4.2Å; L169-C260 HydrophobicContact CD1-CB 3.8Å; L169-C260 VanDerWaalsContact CD1-SG 3.54Å; L169-T272 HydrophobicContact CD2-CG2 4.34Å; L169-F274 HydrophobicContact CD2-CE1 4.1Å
170K93.8Very high91.3Very high39 Ų3937.8 Ų37.817%0.1719%0.19CC..EExtended strand (participates in β ladder)trans-142.6154.1171.668.1-177.3175.9156.30110.4E84 A86 L242E84-K170 HydrophobicContact CG-CD 4.32Å; E84-K170 HydrophobicContact CG-CG 3.77Å; E84-K170 PolarHBondContact N-O 3.25Å; E84-K170 PolarHBondContact O-N 3.41Å; E84-K170 WeakPolarHBondContact OE1-CE 2.98Å; E84-K170 IonicContact OE1-NZ 3.83Å; E84-K170 PolarHBondContact OE1-NZ 3.19Å; A86-K170 HydrophobicContact CB-CD 3.84Å; A86-K170 HydrophobicContact CB-CG 4.04Å; K170-L242 HydrophobicContact CB-CD2 3.83Å; K170-L242 HydrophobicContact CD-CD2 4.38Å
171I92.6Very high91.2Very high7 Ų738.8 Ų38.84%0.03620%0.195CC..EExtended strand (participates in β ladder)trans-82.2139.7174.3-65.5-179.4000109.5P81 P190 I225 F230 L262P81-I171 HydrophobicContact CB-CG2 3.56Å; P81-I171 HydrophobicContact CG-CG2 3.91Å; I171-P190 HydrophobicContact CD1-CB 4.18Å; I171-I225 HydrophobicContact CD1-CD1 3.34Å; I171-I225 HydrophobicContact CG1-CD1 3.56Å; I171-F230 HydrophobicContact CD1-CZ 4.38Å; I171-L262 HydrophobicContact CD1-CD1 4.45Å; I171-L262 HydrophobicContact CD1-CD2 3.61Å; I171-L262 HydrophobicContact CG1-CD2 3.85Å
172N91.8Very high91.1Very high60 Ų6040.6 Ų40.632%0.32120%0.201SC..  trans-63.4135.1174.3-74.5-10.7000110.8G82 E84 V174G82-N172 PolarHBondContact O-N 3.25Å; E84-N172 VanDerWaalsContact CD-OD1 3.25Å; E84-N172 VanDerWaalsContact CG-OD1 3.27Å; E84-N172 WeakPolarHBondContact CG-OD1 3.21Å; N172-V174 PolarHBondContact O-N 2.96Å
173R90.7Very high91Very high119 Ų11940.7 Ų40.745%0.44921%0.205SC..  trans-72114.4-177.8-58.6172-174.2-170.3-8.9109.8Y232 Y238R173-Y232 HydrophobicContact CB-CD1 3.93Å; R173-Y232 HydrophobicContact CB-CE1 4.09Å; R173-Y232 HydrophobicContact CB-CG 4.22Å; R173-Y238 HydrophobicContact CG-CD1 4.43Å; R173-Y238 HydrophobicContact CG-CE1 4.12Å; R173-Y238 PolarHBondContact NH2-O 3.35Å
174V89.1Confident90.8Very high20 Ų2044.2 Ų44.212%0.12123%0.227CC..  trans-113.5126.9174-179.40000108.7P81 N172 G176 W177P81-V174 HydrophobicContact CB-CG2 3.95Å; N172-V174 PolarHBondContact O-N 2.96Å; V174-G176 PolarHBondContact O-N 2.63Å; V174-W177 HydrophobicContact CB-CB 3.7Å; V174-W177 HydrophobicContact CB-CG 4.3Å; V174-W177 HydrophobicContact CG1-CB 3.87Å; V174-W177 WeakPolarHBondContact O-CB 3.27Å; V174-W177 PolarHBondContact O-N 3.41Å
175Y88.8Confident90.5Very high62 Ų6252 Ų5224%0.24326%0.261CS..BIsolated β-bridgetrans-61.4127.4-177.5-174.2-83.8000110.9V67 P68 T71 W177 Y232 L233 R234V67-Y175 HydrophobicContact CB-CE1 4.13Å; V67-Y175 HydrophobicContact CG1-CE1 4Å; V67-Y175 HydrophobicContact CG1-CE2 4.32Å; V67-Y175 WeakPolarHBondContact CG1-OH 3.42Å; P68-Y175 HydrophobicContact CG-CD1 4.09Å; P68-Y175 HydrophobicContact CG-CG 3.92Å; T71-Y175 HydrophobicContact CG2-CD1 3.98Å; Y175-W177 PolarHBondContact O-N 3.34Å; Y175-Y232 CarbonylContact C-O 3.5Å; Y175-Y232 WeakPolarHBondContact CA-O 3.27Å; Y175-L233 HydrophobicContact CE1-CD2 4.37Å; Y175-R234 HydrophobicContact CD2-CB 4.32Å; Y175-R234 HydrophobicContact CE2-CB 4.11Å
176G87Confident90.2Very high29 Ų2953.5 Ų53.530%0.29927%0.271SS..THydrogen-bonded Turntrans68.48.6177.600000115.1V174 Y232V174-G176 PolarHBondContact O-N 2.63Å; G176-Y232 PolarHBondContact N-O 2.96Å
177W88.3Confident89.9Confident14 Ų1454 Ų545%0.05327%0.274CS..  trans-73130.9-179.3-179.980.6000111.4F79 P81 V174 Y175 P179 P190 F230 P231 L265F79-W177 VanDerWaalsContact O-CD1 3.23Å; F79-W177 PolarHBondContact O-NE1 3.03Å; P81-W177 HydrophobicContact CG-CD2 4.14Å; P81-W177 HydrophobicContact CG-CH2 3.94Å; P81-W177 HydrophobicContact CG-CZ2 3.51Å; P81-W177 HydrophobicContact CG-CZ3 4.43Å; V174-W177 HydrophobicContact CB-CB 3.7Å; V174-W177 HydrophobicContact CB-CG 4.3Å; V174-W177 HydrophobicContact CG1-CB 3.87Å; V174-W177 WeakPolarHBondContact O-CB 3.27Å; V174-W177 PolarHBondContact O-N 3.41Å; Y175-W177 PolarHBondContact O-N 3.34Å; W177-P179 HydrophobicContact CH2-CB 3.73Å; W177-P179 HydrophobicContact CZ2-CB 4.05Å; W177-P179 HydrophobicContact CZ3-CB 4.26Å; W177-P190 HydrophobicContact CH2-CG 4.03Å; W177-F230 AromaticContact CE3-CD1 3.69Å; W177-F230 HydrophobicContact CE3-CD1 3.69Å; W177-F230 AromaticContact CE3-CE1 3.8Å; W177-F230 HydrophobicContact CE3-CE1 3.8Å; W177-F230 HydrophobicContact CE3-CG 4.16Å; W177-F230 HydrophobicContact CE3-CZ 4.35Å; W177-F230 AromaticContact CZ3-CD1 3.76Å; W177-F230 HydrophobicContact CZ3-CD1 3.76Å; W177-F230 HydrophobicContact CZ3-CD2 4.08Å; W177-F230 AromaticContact CZ3-CE1 3.57Å; W177-F230 HydrophobicContact CZ3-CE1 3.57Å; W177-F230 AromaticContact CZ3-CE2 3.89Å; W177-F230 HydrophobicContact CZ3-CE2 3.89Å; W177-F230 HydrophobicContact CZ3-CG 4.02Å; W177-F230 AromaticContact CZ3-CZ 3.65Å; W177-F230 HydrophobicContact CZ3-CZ 3.65Å; W177-P231 WeakPolarHBondContact O-CA 3.29Å; W177-L265 HydrophobicContact CH2-CD1 4.27Å; W177-L265 HydrophobicContact CZ2-CD1 3.98Å; W177-L265 HydrophobicContact CZ2-CD2 4.32Å
178L88.2Confident89.6Confident105 Ų10556.5 Ų56.555%0.5529%0.29SS..  trans-121.8137.5170.9-83.1155.6000108D180 F230 P231L178-D180 PolarHBondContact O-N 2.92Å; L178-F230 HydrophobicContact CD2-CB 4.43Å; L178-P231 HydrophobicContact CG-CB 4.21Å
179P88Confident89.4Confident22 Ų2257.2 Ų57.214%0.14330%0.295CS..  trans-69118.5-178.327.1-33.3000112W177 L181 P190 N227 F230 L265W177-P179 HydrophobicContact CH2-CB 3.73Å; W177-P179 HydrophobicContact CZ2-CB 4.05Å; W177-P179 HydrophobicContact CZ3-CB 4.26Å; P179-L181 HydrophobicContact CB-CD2 4.4Å; P179-L181 PolarHBondContact O-N 3.18Å; P179-P190 HydrophobicContact CB-CG 3.27Å; P179-P190 HydrophobicContact CG-CG 3.75Å; P179-N227 WeakPolarHBondContact CG-OD1 3.49Å; P179-F230 HydrophobicContact CG-CD2 4.43Å; P179-L265 HydrophobicContact CB-CD2 3.62Å
180D88.4Confident89.2Confident85 Ų8557.2 Ų57.246%0.45530%0.295SS..  trans-86.2100.3169.9-174.315.6000109.7L178 L265 K266L178-D180 PolarHBondContact O-N 2.92Å; D180-L265 WeakPolarHBondContact O-CA 3.33Å; D180-K266 PolarHBondContact O-N 2.78Å; D180-K266 IonicContact OD1-NZ 2.75Å; D180-K266 PolarHBondContact OD1-NZ 2.82Å; D180-K266 WeakPolarHBondContact OD2-CD 3.25Å; D180-K266 IonicContact OD2-NZ 2.69Å; D180-K266 PolarHBondContact OD2-NZ 3.37Å
181L90.1Very high89.2Confident26 Ų2655.3 Ų55.314%0.13629%0.287CS..BIsolated β-bridgetrans-74.6135.2-175.4-58175.4000111P179 P184 P188 G264 L265 K266P179-L181 HydrophobicContact CB-CD2 4.4Å; P179-L181 PolarHBondContact O-N 3.18Å; L181-P184 HydrophobicContact CB-CG 4.01Å; L181-P184 HydrophobicContact CD1-CB 4.29Å; L181-P184 HydrophobicContact CD1-CG 4.42Å; L181-P188 VanDerWaalsContact CD1-O 3.28Å; L181-P188 WeakPolarHBondContact CD1-O 3.38Å; L181-G264 WeakPolarHBondContact CA-O 3.48Å; L181-L265 HydrophobicContact CD2-CD2 4.26Å; L181-K266 WeakPolarHBondContact O-CE 3.49Å
182E87.9Confident89.3Confident117 Ų11755 Ų5555%0.54729%0.285SS..SBendtrans-72.8-57.6174.4-173.6176.5-169.600110.5G264 K266E182-G264 PolarHBondContact N-O 3.38Å; E182-G264 VanDerWaalsContact N-O 3.1Å; E182-K266 HydrophobicContact CB-CG 4.01Å; E182-K266 HydrophobicContact CG-CG 4.42Å
183D88.1Confident89.4Confident97 Ų9753.4 Ų53.452%0.51928%0.276SS..  trans-127.886.5-179.6-76.9-39.3000111.3K185 S186 I187D183-K185 PolarHBondContact O-N 3.46Å; D183-S186 VanDerWaalsContact CB-OG 3.27Å; D183-S186 WeakPolarHBondContact CB-OG 3.33Å; D183-S186 PolarHBondContact O-N 3.11Å; D183-S186 PolarHBondContact O-OG 2.98Å; D183-S186 VanDerWaalsContact O-OG 3.1Å; D183-I187 PolarHBondContact O-N 2.94Å; D183-I187 VanDerWaalsContact O-N 3.13Å
184P85.6Confident89.6Confident79 Ų7948.1 Ų48.151%0.51326%0.257SS..THydrogen-bonded Turntrans-57.6-20.2-179-23.731.2000114.5L181L181-P184 HydrophobicContact CB-CG 4.01Å; L181-P184 HydrophobicContact CD1-CB 4.29Å; L181-P184 HydrophobicContact CD1-CG 4.42Å
185K86.8Confident89.9Confident209 Ų20947.8 Ų47.891%0.90926%0.258SS*.THydrogen-bonded Turntrans-76.3-34.1178.5-67.1-176.2-179.3178.40113D183D183-K185 PolarHBondContact O-N 3.46Å
186S87.7Confident90.1Very high33 Ų3345 Ų4523%0.23125%0.247CC..THydrogen-bonded Turntrans-90.1-45.1-177.963.60000110.7D183 H214D183-S186 VanDerWaalsContact CB-OG 3.27Å; D183-S186 WeakPolarHBondContact CB-OG 3.33Å; D183-S186 PolarHBondContact O-N 3.11Å; D183-S186 PolarHBondContact O-OG 2.98Å; D183-S186 VanDerWaalsContact O-OG 3.1Å; S186-H214 PolarHBondContact O-NE2 2.85Å
187I89.3Confident90.4Very high10 Ų1046.6 Ų46.65%0.05125%0.252CS..  trans-131.1100.2-176.2-62.4175.3000107.2D183 S189 A191 Y222 V263D183-I187 PolarHBondContact O-N 2.94Å; D183-I187 VanDerWaalsContact O-N 3.13Å; I187-S189 WeakPolarHBondContact CG2-O 3.31Å; I187-S189 PolarHBondContact O-N 3.28Å; I187-A191 HydrophobicContact CG2-CB 3.81Å; I187-Y222 HydrophobicContact CD1-CD2 4.38Å; I187-Y222 HydrophobicContact CD1-CE2 4.08Å; I187-V263 HydrophobicContact CD1-CG2 4.35Å
188P88.4Confident90.6Very high54 Ų5450.1 Ų50.135%0.35127%0.272SS..SBendtrans-78-6-171.730.5-35000113.8L181 I224 N227L181-P188 VanDerWaalsContact CD1-O 3.28Å; L181-P188 WeakPolarHBondContact CD1-O 3.38Å; P188-I224 HydrophobicContact CG-CD1 3.96Å; P188-N227 PolarHBondContact O-ND2 2.96Å
189S90.9Very high90.8Very high14 Ų1452.7 Ų52.710%0.09828%0.281CS..SBendtrans-155.9161.2-179.3-490000109.6I187 A191 I225 N227I187-S189 WeakPolarHBondContact CG2-O 3.31Å; I187-S189 PolarHBondContact O-N 3.28Å; S189-A191 PolarHBondContact O-N 2.96Å; S189-I225 WeakPolarHBondContact CB-O 3.39Å; S189-N227 WeakPolarHBondContact CB-OD1 3.21Å; S189-N227 PolarHBondContact OG-ND2 2.92Å
190P91.9Very high91Very high0 Ų057.9 Ų57.90%030%0.301CS..  trans-48.7132.4177.4-2734.4000111.1I171 W177 P179 I225 N227 L265I171-P190 HydrophobicContact CD1-CB 4.18Å; W177-P190 HydrophobicContact CH2-CG 4.03Å; P179-P190 HydrophobicContact CB-CG 3.27Å; P179-P190 HydrophobicContact CG-CG 3.75Å; P190-I225 WeakPolarHBondContact O-CB 3.31Å; P190-I225 PolarHBondContact O-N 3.21Å; P190-N227 WeakPolarHBondContact CD-OD1 3.44Å; P190-L265 HydrophobicContact CB-CD1 4.44Å; P190-L265 HydrophobicContact CG-CD2 4.17Å
191A93.7Very high91.2Very high0 Ų054.2 Ų54.20%028%0.282CS..EExtended strand (participates in β ladder)trans-127155.8-179.400000111.1I187 S189 Y222 G223 L262 V263I187-A191 HydrophobicContact CG2-CB 3.81Å; S189-A191 PolarHBondContact O-N 2.96Å; A191-Y222 HydrophobicContact CB-CG 4.44Å; A191-G223 CarbonylContact C-O 3.57Å; A191-G223 VanDerWaalsContact CA-O 3.23Å; A191-G223 WeakPolarHBondContact CA-O 3.33Å; A191-L262 WeakPolarHBondContact O-CA 3.46Å; A191-V263 HydrophobicContact CB-CG2 3.92Å; A191-V263 PolarHBondContact N-O 3.09Å; A191-V263 VanDerWaalsContact N-O 3.16Å; A191-V263 WeakPolarHBondContact O-CG2 3.35Å; A191-V263 PolarHBondContact O-N 2.97Å
192I94.8Very high91.3Very high0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-111.4132.5177.8-61.6177.9000108.5I83 L169 G223 I225 V243 C260 R261 L262I83-I192 HydrophobicContact CD1-CD1 4.4Å; I83-I192 HydrophobicContact CD1-CG1 4.15Å; I83-I192 HydrophobicContact CD1-CG2 4.25Å; I83-I192 HydrophobicContact CG2-CD1 4.45Å; L169-I192 HydrophobicContact CB-CD1 3.94Å; L169-I192 HydrophobicContact CD1-CD1 4.41Å; L169-I192 HydrophobicContact CD1-CG2 3.76Å; I192-G223 PolarHBondContact N-O 3.5Å; I192-G223 PolarHBondContact O-N 3.43Å; I192-I225 HydrophobicContact CD1-CD1 3.78Å; I192-I225 HydrophobicContact CG1-CD1 4.12Å; I192-V243 HydrophobicContact CD1-CB 4.17Å; I192-V243 HydrophobicContact CD1-CG2 4.13Å; I192-C260 HydrophobicContact CG2-CB 4.21Å; I192-R261 WeakPolarHBondContact CA-O 3.41Å; I192-L262 HydrophobicContact CG1-CD2 3.95Å
193E94.4Very high91.5Very high26 Ų2660.6 Ų60.612%0.12131%0.309CS..EExtended strand (participates in β ladder)trans-119.1128.5170.7-173.3-167.5152.400109.4K220 Y222 C260 R261 V263E193-K220 WeakPolarHBondContact OE1-CE 3.39Å; E193-K220 IonicContact OE1-NZ 4Å; E193-K220 PolarHBondContact OE1-NZ 3.44Å; E193-K220 WeakPolarHBondContact OE2-CE 3.42Å; E193-K220 IonicContact OE2-NZ 3.84Å; E193-K220 PolarHBondContact OE2-NZ 2.98Å; E193-Y222 HydrophobicContact CB-CD1 3.9Å; E193-Y222 HydrophobicContact CB-CE1 4.02Å; E193-Y222 HydrophobicContact CG-CD1 4.23Å; E193-Y222 HydrophobicContact CG-CE1 4.08Å; E193-C260 CarbonylContact O-C 3.58Å; E193-C260 VanDerWaalsContact O-CA 3.29Å; E193-C260 WeakPolarHBondContact O-CA 3.36Å; E193-R261 PolarHBondContact N-O 3.15Å; E193-R261 PolarHBondContact O-N 3.01Å; E193-R261 IonicContact OE1-CZ 2.84Å; E193-R261 IonicContact OE1-NH1 3.92Å; E193-R261 PolarHBondContact OE1-NH1 3.45Å; E193-R261 IonicContact OE2-NH1 3.97Å; E193-R261 PolarHBondContact OE2-NH1 3.49Å; E193-V263 HydrophobicContact CB-CG1 3.96Å; E193-V263 HydrophobicContact CB-CG2 4.25Å
194C95.3Very high91.7Very high8 Ų856.2 Ų56.25%0.05429%0.286CS..EExtended strand (participates in β ladder)trans-116144.9174.7-610000111.4V208 Y210 V245 V258 E259 C260C194-V208 HydrophobicContact CB-CG1 4.43Å; C194-Y210 HydrophobicContact CB-CE1 4.27Å; C194-Y210 PolarHBondContact N-OH 2.86Å; C194-Y210 PolarHBondContact O-OH 3.47Å; C194-V245 HydrophobicContact CB-CG1 4.12Å; C194-V258 HydrophobicContact CB-CG1 4.45Å; C194-E259 CarbonylContact C-O 3.59Å; C194-E259 VanDerWaalsContact CA-O 3.3Å; C194-E259 WeakPolarHBondContact CA-O 3.5Å; C194-C260 HydrophobicContact CB-CB 4.13Å; C194-C260 WeakPolarHBondContact CB-SG 3.4Å; C194-C260 WeakPolarHBondContact SG-CB 3.35Å; C194-C260 CovalentContact SG-SG 2.03Å; C194-C260 PolarHBondContact SG-SG 2.94Å
195G94Very high92Very high14 Ų1452.6 Ų52.614%0.14426%0.262CS..EExtended strand (participates in β ladder)trans-159.8176.4174.500000111.7E259G195-E259 PolarHBondContact N-O 3.45Å; G195-E259 PolarHBondContact O-N 2.89Å
196G93.6Very high92.1Very high2 Ų244.2 Ų44.22%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-72.3145.7173.400000112.2K202 L257G196-K202 WeakPolarHBondContact O-CE 3.38Å; G196-K202 WeakPolarHBondContact O-CG 3.29Å; G196-L257 WeakPolarHBondContact CA-O 3.45Å
197T92.6Very high92.3Very high64 Ų6447.4 Ų47.439%0.39325%0.249SC..SBendtrans-66.7-48.9178.1-560000111.6L257T197-L257 PolarHBondContact N-O 3.42Å; T197-L257 VanDerWaalsContact N-O 3.08Å
198N93.1Very high92.5Very high88 Ų8848 Ų4847%0.47125%0.253SS..SBendtrans-106.3172.1177.4-53.1-58.3000112F200 D201 K202N198-F200 VanDerWaalsContact C-N 3.32Å; N198-F200 PolarHBondContact O-N 3.15Å; N198-D201 WeakPolarHBondContact CB-OD2 3.48Å; N198-D201 PolarHBondContact N-OD2 3.01Å; N198-D201 VanDerWaalsContact N-OD2 3.16Å; N198-D201 PolarHBondContact ND2-OD2 3.19Å; N198-D201 PolarHBondContact O-N 3.36Å; N198-K202 WeakPolarHBondContact O-CG 3.11Å; N198-K202 PolarHBondContact O-N 3.39Å
199E92.2Very high92.8Very high159 Ų15950.4 Ų50.474%0.74326%0.255SS*.Hα-helixtrans-58.6-43.8175.9-65.8-176.1163.600112.1D201 K202 E203E199-D201 VanDerWaalsContact C-N 3.34Å; E199-D201 PolarHBondContact O-N 2.92Å; E199-K202 WeakPolarHBondContact O-CB 3.33Å; E199-K202 PolarHBondContact O-N 3.36Å; E199-E203 PolarHBondContact O-N 2.93Å; E199-E203 VanDerWaalsContact O-N 3.15Å
200F91.9Very high93Very high131 Ų13150.2 Ų50.258%0.57525%0.252SS*.Hα-helixtrans-59.6-42.8174.7-177.6-97000112.5N198 K202 E203 S204N198-F200 VanDerWaalsContact C-N 3.32Å; N198-F200 PolarHBondContact O-N 3.15Å; F200-K202 VanDerWaalsContact C-N 3.32Å; F200-K202 PolarHBondContact O-N 2.93Å; F200-E203 PolarHBondContact O-N 3.22Å; F200-S204 WeakPolarHBondContact CE1-OG 3.45Å; F200-S204 VanDerWaalsContact O-CB 3.24Å; F200-S204 WeakPolarHBondContact O-CB 3.48Å; F200-S204 PolarHBondContact O-N 2.93Å; F200-S204 PolarHBondContact O-OG 2.73Å
201D93.2Very high93.2Very high8 Ų852 Ų524%0.04326%0.26CS..Hα-helixtrans-67.4-34.7178.7-62.9-59.3000111.6N198 E199 S204 L205 V256 L257N198-D201 WeakPolarHBondContact CB-OD2 3.48Å; N198-D201 PolarHBondContact N-OD2 3.01Å; N198-D201 VanDerWaalsContact N-OD2 3.16Å; N198-D201 PolarHBondContact ND2-OD2 3.19Å; N198-D201 PolarHBondContact O-N 3.36Å; E199-D201 VanDerWaalsContact C-N 3.34Å; E199-D201 PolarHBondContact O-N 2.92Å; D201-S204 PolarHBondContact O-N 3.46Å; D201-L205 WeakPolarHBondContact O-CB 3.44Å; D201-L205 PolarHBondContact O-N 3.45Å; D201-V256 HydrophobicContact CB-CG1 4.08Å; D201-L257 WeakPolarHBondContact CB-O 3.45Å; D201-L257 PolarHBondContact OD1-N 3.33Å
202K92.3Very high93.3Very high118 Ų11853.6 Ų53.651%0.51327%0.271SS..Hα-helixtrans-64.9-42177.2-72.1170.3-172.7171.80111.6G196 N198 E199 F200G196-K202 WeakPolarHBondContact O-CE 3.38Å; G196-K202 WeakPolarHBondContact O-CG 3.29Å; N198-K202 WeakPolarHBondContact O-CG 3.11Å; N198-K202 PolarHBondContact O-N 3.39Å; E199-K202 WeakPolarHBondContact O-CB 3.33Å; E199-K202 PolarHBondContact O-N 3.36Å; F200-K202 VanDerWaalsContact C-N 3.32Å; F200-K202 PolarHBondContact O-N 2.93Å
203E92.4Very high93.2Very high158 Ų15857.1 Ų57.174%0.73829%0.287SS*.Hα-helixtrans-67.4-42.2174.8-67.7-179.5177.600111.1E199 F200 L205E199-E203 PolarHBondContact O-N 2.93Å; E199-E203 VanDerWaalsContact O-N 3.15Å; F200-E203 PolarHBondContact O-N 3.22Å; E203-L205 PolarHBondContact O-N 2.86Å
204S91.8Very high93.2Very high5 Ų558 Ų584%0.03529%0.291CS..Hα-helixtrans-68.4-32.5-178.8-61.90000113.4F200 D201 I250 T251F200-S204 WeakPolarHBondContact CE1-OG 3.45Å; F200-S204 VanDerWaalsContact O-CB 3.24Å; F200-S204 WeakPolarHBondContact O-CB 3.48Å; F200-S204 PolarHBondContact O-N 2.93Å; F200-S204 PolarHBondContact O-OG 2.73Å; D201-S204 PolarHBondContact O-N 3.46Å; S204-I250 CarbonylContact O-C 3.56Å; S204-I250 VanDerWaalsContact O-CA 3.31Å; S204-I250 WeakPolarHBondContact O-CA 3.34Å; S204-T251 VanDerWaalsContact CB-OG1 3.27Å; S204-T251 WeakPolarHBondContact CB-OG1 3.2Å; S204-T251 PolarHBondContact O-N 3.38Å; S204-T251 PolarHBondContact O-OG1 3.26Å
205L92Very high93.1Very high3 Ų362.2 Ų62.22%0.01631%0.312CS..Hα-helixtrans-70.5-33-179-170.161000112.9D201 E203 V208 L247 I250 V256 V258D201-L205 WeakPolarHBondContact O-CB 3.44Å; D201-L205 PolarHBondContact O-N 3.45Å; E203-L205 PolarHBondContact O-N 2.86Å; L205-V208 HydrophobicContact CD2-CG2 3.65Å; L205-V208 HydrophobicContact CG-CG2 3.94Å; L205-L247 HydrophobicContact CD1-CD1 3.64Å; L205-L247 HydrophobicContact CD1-CD2 3.51Å; L205-L247 HydrophobicContact CD1-CG 4.11Å; L205-L247 HydrophobicContact CD2-CD2 4.5Å; L205-L247 HydrophobicContact CG-CD2 4.08Å; L205-I250 HydrophobicContact CD1-CD1 4.38Å; L205-V256 HydrophobicContact CB-CG1 4.28Å; L205-V256 HydrophobicContact CD1-CG1 4.36Å; L205-V258 HydrophobicContact CD1-CG2 3.42Å; L205-V258 VanDerWaalsContact CD1-CG2 3.42Å; L205-V258 HydrophobicContact CD2-CG1 4.25Å; L205-V258 HydrophobicContact CD2-CG2 4.21Å; L205-V258 HydrophobicContact CG-CG2 4.43Å
206G88.5Confident92.9Very high34 Ų3461.8 Ų61.835%0.35131%0.307SS..  trans65.7-143.9-176.500000113.5
207I91.3Very high92.7Very high100 Ų10067 Ų6751%0.51334%0.34SS..  trans-82.9120.3-174.9-57.3171.6000110.3S248I207-S248 PolarHBondContact O-N 3.41Å
208V94Very high92.4Very high21 Ų2169.2 Ų69.213%0.12735%0.35CS..EExtended strand (participates in β ladder)trans-93.4129.4174.2-174.90000110.1C194 L205 Y210 V245 L247C194-V208 HydrophobicContact CB-CG1 4.43Å; L205-V208 HydrophobicContact CD2-CG2 3.65Å; L205-V208 HydrophobicContact CG-CG2 3.94Å; V208-Y210 HydrophobicContact CG1-CE1 3.95Å; V208-Y210 HydrophobicContact CG1-CE2 4.03Å; V208-V245 HydrophobicContact CG1-CG1 3.38Å; V208-L247 HydrophobicContact CG1-CD2 4.28Å; V208-L247 HydrophobicContact CG2-CD2 3.95Å
209R95.1Very high92.2Very high106 Ų10667.6 Ų67.640%0.435%0.354SS..EExtended strand (participates in β ladder)trans-114151.2171.6-68.4-176.6175.1-169.6-1.3110.3F211 V245 Q246R209-F211 HydrophobicContact CB-CE2 4.44Å; R209-V245 CarbonylContact O-C 3.59Å; R209-V245 WeakPolarHBondContact O-CA 3.43Å; R209-Q246 HydrophobicContact CB-CB 4.25Å; R209-Q246 PolarHBondContact N-O 3.45Å; R209-Q246 PolarHBondContact O-N 3.09Å
210Y96Very high92.2Very high9 Ų963.9 Ų63.94%0.03534%0.335CS..EExtended strand (participates in β ladder)trans-122.1150-178.6-57.1-85.3000111C194 V208 E213 K221 G223 A244 V245C194-Y210 HydrophobicContact CB-CE1 4.27Å; C194-Y210 PolarHBondContact N-OH 2.86Å; C194-Y210 PolarHBondContact O-OH 3.47Å; V208-Y210 HydrophobicContact CG1-CE1 3.95Å; V208-Y210 HydrophobicContact CG1-CE2 4.03Å; Y210-E213 WeakPolarHBondContact O-CB 3.43Å; Y210-E213 PolarHBondContact O-N 3.4Å; Y210-K221 HydrophobicContact CD2-CB 4.18Å; Y210-K221 HydrophobicContact CE2-CB 4.32Å; Y210-K221 VanDerWaalsContact CE2-O 3.31Å; Y210-K221 WeakPolarHBondContact CE2-O 3.3Å; Y210-G223 VanDerWaalsContact CG-N 3.34Å; Y210-A244 CarbonylContact C-O 3.55Å; Y210-A244 WeakPolarHBondContact CA-O 3.32Å; Y210-V245 HydrophobicContact CD1-CG1 4.38Å; Y210-V245 HydrophobicContact CD1-CG2 3.93Å; Y210-V245 HydrophobicContact CE1-CG1 4.1Å; Y210-V245 HydrophobicContact CE1-CG2 4.03Å
211F95.6Very high92.3Very high37 Ų3761.6 Ų61.616%0.16233%0.325CS..EExtended strand (participates in β ladder)trans-137.2114.1172.3-58.2-85.1000109.1L150 E152 R209 A244 Q246L150-F211 WeakPolarHBondContact O-CB 3.49Å; L150-F211 WeakPolarHBondContact O-CG 3.43Å; E152-F211 HydrophobicContact CB-CZ 4.31Å; E152-F211 HydrophobicContact CG-CZ 4.47Å; R209-F211 HydrophobicContact CB-CE2 4.44Å; F211-A244 HydrophobicContact CB-CB 4.25Å; F211-A244 PolarHBondContact N-O 3.2Å; F211-A244 PolarHBondContact O-N 2.85Å; F211-Q246 HydrophobicContact CD2-CB 4.34Å; F211-Q246 HydrophobicContact CE2-CB 3.75Å; F211-Q246 HydrophobicContact CE2-CG 4.41Å
212P94.8Very high92.4Very high35 Ų3562 Ų6223%0.22733%0.326CS..SBendcis-73.4142.3-2.930-30.9000112.5V149 G223 I224V149-P212 HydrophobicContact CG1-CB 3.67Å; V149-P212 HydrophobicContact CG1-CG 3.67Å; P212-G223 WeakPolarHBondContact O-CA 3.33Å; P212-I224 HydrophobicContact CB-CG2 4.09Å; P212-I224 HydrophobicContact CG-CG2 3.77Å; P212-I224 VanDerWaalsContact CG-O 3.25Å; P212-I224 WeakPolarHBondContact CG-O 3.47Å; P212-I224 PolarHBondContact O-N 3.34Å; P212-I224 VanDerWaalsContact O-N 3.16Å
213E93.6Very high92.5Very high73 Ų7356.4 Ų56.434%0.34130%0.302SS..EExtended strand (participates in β ladder)trans-88.2133.4178.5-165.7174.190.900111.1Y210 K221Y210-E213 WeakPolarHBondContact O-CB 3.43Å; Y210-E213 PolarHBondContact O-N 3.4Å; E213-K221 HydrophobicContact CG-CB 4.25Å; E213-K221 HydrophobicContact CG-CG 4.23Å; E213-K221 IonicContact OE1-NZ 2.87Å; E213-K221 PolarHBondContact OE1-NZ 2.86Å; E213-K221 WeakPolarHBondContact OE2-CD 3.36Å; E213-K221 IonicContact OE2-NZ 3.41Å; E213-K221 PolarHBondContact OE2-NZ 2.89Å
214H93.4Very high92.5Very high44 Ų4450.3 Ų50.320%0.20427%0.274CS..EExtended strand (participates in β ladder)trans-120.1130.6165.8-179.870.7000109.8S186 K221 Y222 I224S186-H214 PolarHBondContact O-NE2 2.85Å; H214-K221 CarbonylContact O-C 3.51Å; H214-K221 WeakPolarHBondContact O-CA 3.42Å; H214-Y222 PolarHBondContact N-O 2.86Å; H214-Y222 PolarHBondContact O-N 2.97Å; H214-I224 HydrophobicContact CB-CB 3.79Å; H214-I224 HydrophobicContact CB-CD1 4.12Å; H214-I224 HydrophobicContact CB-CG2 4.02Å
215I93Very high92.6Very high98 Ų9850.1 Ų50.150%0.50327%0.273SS..EExtended strand (participates in β ladder)trans-102.5112.3177.2-53.8177.1000107.2K221I215-K221 HydrophobicContact CG1-CG 4.19Å
216A90.2Very high92.4Very high5 Ų552.2 Ų52.24%0.04129%0.287CS..  trans-72.1162.4175.900000111.2N218 G219 K220 Y222A216-N218 VanDerWaalsContact CB-OD1 3.31Å; A216-N218 WeakPolarHBondContact CB-OD1 3.5Å; A216-N218 PolarHBondContact O-N 3.43Å; A216-G219 PolarHBondContact O-N 2.88Å; A216-K220 PolarHBondContact N-O 3.3Å; A216-Y222 HydrophobicContact CB-CD2 3.99Å; A216-Y222 HydrophobicContact CB-CE2 3.54Å
217P89.1Confident92.4Very high110 Ų11052 Ų5271%0.71428%0.278SS*.THydrogen-bonded Turntrans-56.6-20.8-179.6-2735.2000115.1G219P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.25Å
218N87.2Confident92.1Very high112 Ų11248.8 Ų48.860%0.59926%0.262SS*.THydrogen-bonded Turntrans-81.22.417566.2-2.6000114A216 K220A216-N218 VanDerWaalsContact CB-OD1 3.31Å; A216-N218 WeakPolarHBondContact CB-OD1 3.5Å; A216-N218 PolarHBondContact O-N 3.43Å; N218-K220 VanDerWaalsContact C-N 3.27Å; N218-K220 PolarHBondContact O-N 3.33Å; N218-K220 WeakPolarHBondContact OD1-CB 3.23Å; N218-K220 PolarHBondContact OD1-N 3.49Å
219G89.3Confident91.8Very high54 Ų5449.3 Ų49.356%0.55726%0.262SS*.SBendtrans80.4-1-177.100000114.8A216 P217A216-G219 PolarHBondContact O-N 2.88Å; P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.25Å
220K91.7Very high91.4Very high80 Ų8044.9 Ų44.935%0.34825%0.246SC..  trans-79.8137.8178.5-168.8164.1168.7-166.50110.7E193 A216 N218 Y222E193-K220 WeakPolarHBondContact OE1-CE 3.39Å; E193-K220 IonicContact OE1-NZ 4Å; E193-K220 PolarHBondContact OE1-NZ 3.44Å; E193-K220 WeakPolarHBondContact OE2-CE 3.42Å; E193-K220 IonicContact OE2-NZ 3.84Å; E193-K220 PolarHBondContact OE2-NZ 2.98Å; A216-K220 PolarHBondContact N-O 3.3Å; N218-K220 VanDerWaalsContact C-N 3.27Å; N218-K220 PolarHBondContact O-N 3.33Å; N218-K220 WeakPolarHBondContact OD1-CB 3.23Å; N218-K220 PolarHBondContact OD1-N 3.49Å; K220-Y222 HydrophobicContact CB-CE2 3.96Å; K220-Y222 HydrophobicContact CD-CE1 4.04Å; K220-Y222 WeakPolarHBondContact CD-OH 3.4Å; K220-Y222 HydrophobicContact CG-CE1 4.06Å; K220-Y222 HydrophobicContact CG-CE2 4.05Å
221K93.6Very high91.1Very high83 Ų8345 Ų4536%0.36125%0.248SC..EExtended strand (participates in β ladder)trans-93.2138.5-179.8-68.5162.7170.6-107.20110.3Y210 E213 H214 I215Y210-K221 HydrophobicContact CD2-CB 4.18Å; Y210-K221 HydrophobicContact CE2-CB 4.32Å; Y210-K221 VanDerWaalsContact CE2-O 3.31Å; Y210-K221 WeakPolarHBondContact CE2-O 3.3Å; E213-K221 HydrophobicContact CG-CB 4.25Å; E213-K221 HydrophobicContact CG-CG 4.23Å; E213-K221 IonicContact OE1-NZ 2.87Å; E213-K221 PolarHBondContact OE1-NZ 2.86Å; E213-K221 WeakPolarHBondContact OE2-CD 3.36Å; E213-K221 IonicContact OE2-NZ 3.41Å; E213-K221 PolarHBondContact OE2-NZ 2.89Å; H214-K221 CarbonylContact O-C 3.51Å; H214-K221 WeakPolarHBondContact O-CA 3.42Å; I215-K221 HydrophobicContact CG1-CG 4.19Å
222Y94.6Very high90.7Very high17 Ų1745.4 Ų45.47%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-136.6156.1177.6-56.7-78.6000110.9I187 A191 E193 H214 A216 K220 V263I187-Y222 HydrophobicContact CD1-CD2 4.38Å; I187-Y222 HydrophobicContact CD1-CE2 4.08Å; A191-Y222 HydrophobicContact CB-CG 4.44Å; E193-Y222 HydrophobicContact CB-CD1 3.9Å; E193-Y222 HydrophobicContact CB-CE1 4.02Å; E193-Y222 HydrophobicContact CG-CD1 4.23Å; E193-Y222 HydrophobicContact CG-CE1 4.08Å; H214-Y222 PolarHBondContact N-O 2.86Å; H214-Y222 PolarHBondContact O-N 2.97Å; A216-Y222 HydrophobicContact CB-CD2 3.99Å; A216-Y222 HydrophobicContact CB-CE2 3.54Å; K220-Y222 HydrophobicContact CB-CE2 3.96Å; K220-Y222 HydrophobicContact CD-CE1 4.04Å; K220-Y222 WeakPolarHBondContact CD-OH 3.4Å; K220-Y222 HydrophobicContact CG-CE1 4.06Å; K220-Y222 HydrophobicContact CG-CE2 4.05Å; Y222-V263 HydrophobicContact CD1-CG2 3.69Å; Y222-V263 HydrophobicContact CE1-CG2 3.8Å; Y222-V263 HydrophobicContact CG-CG2 4.45Å
223G94.8Very high90.4Very high0 Ų046.2 Ų46.20%025%0.251CS..EExtended strand (participates in β ladder)trans-87.2112168.400000110.6A191 I192 Y210 P212A191-G223 CarbonylContact C-O 3.57Å; A191-G223 VanDerWaalsContact CA-O 3.23Å; A191-G223 WeakPolarHBondContact CA-O 3.33Å; I192-G223 PolarHBondContact N-O 3.5Å; I192-G223 PolarHBondContact O-N 3.43Å; Y210-G223 VanDerWaalsContact CG-N 3.34Å; P212-G223 WeakPolarHBondContact O-CA 3.33Å
224I93.2Very high90.1Very high30 Ų3049.3 Ų49.315%0.15426%0.259CS..EExtended strand (participates in β ladder)trans-88.8141.9-175-168.3166000111.9P188 P212 H214P188-I224 HydrophobicContact CG-CD1 3.96Å; P212-I224 HydrophobicContact CB-CG2 4.09Å; P212-I224 HydrophobicContact CG-CG2 3.77Å; P212-I224 VanDerWaalsContact CG-O 3.25Å; P212-I224 WeakPolarHBondContact CG-O 3.47Å; P212-I224 PolarHBondContact O-N 3.34Å; P212-I224 VanDerWaalsContact O-N 3.16Å; H214-I224 HydrophobicContact CB-CB 3.79Å; H214-I224 HydrophobicContact CB-CD1 4.12Å; H214-I224 HydrophobicContact CB-CG2 4.02Å
225I92.7Very high89.6Confident2 Ų248.3 Ų48.31%0.0126%0.255CS..  trans-115.1118.8173.6-66170.5000108I171 S189 P190 I192 N227 F230 P241 V243I171-I225 HydrophobicContact CD1-CD1 3.34Å; I171-I225 HydrophobicContact CG1-CD1 3.56Å; S189-I225 WeakPolarHBondContact CB-O 3.39Å; P190-I225 WeakPolarHBondContact O-CB 3.31Å; P190-I225 PolarHBondContact O-N 3.21Å; I192-I225 HydrophobicContact CD1-CD1 3.78Å; I192-I225 HydrophobicContact CG1-CD1 4.12Å; I225-N227 PolarHBondContact O-N 3.01Å; I225-F230 HydrophobicContact CG2-CE2 3.73Å; I225-F230 HydrophobicContact CG2-CZ 4.03Å; I225-P241 HydrophobicContact CG2-CB 3.75Å; I225-P241 HydrophobicContact CG2-CG 3.39Å; I225-V243 HydrophobicContact CD1-CG2 3.83Å; I225-V243 HydrophobicContact CG1-CG2 3.34Å
226S89.1Confident89.2Confident46 Ų4650 Ų5032%0.32227%0.265SS..  trans-61.4138-179.4179.30000112N228S226-N228 PolarHBondContact O-N 3.15Å; S226-N228 VanDerWaalsContact OG-CG 3.23Å; S226-N228 PolarHBondContact OG-N 3.36Å; S226-N228 PolarHBondContact OG-OD1 3.02Å
227N87.7Confident89Confident30 Ų3055 Ų5516%0.1629%0.291CS..G310 helixtrans-65.4-14.5175-69.7-22.6000113.3P132 P179 P188 S189 P190 I225 Y229 F230P132-N227 HydrophobicContact CB-CB 3.64Å; P179-N227 WeakPolarHBondContact CG-OD1 3.49Å; P188-N227 PolarHBondContact O-ND2 2.96Å; S189-N227 WeakPolarHBondContact CB-OD1 3.21Å; S189-N227 PolarHBondContact OG-ND2 2.92Å; P190-N227 WeakPolarHBondContact CD-OD1 3.44Å; I225-N227 PolarHBondContact O-N 3.01Å; N227-Y229 PolarHBondContact O-N 3.17Å; N227-F230 PolarHBondContact O-N 2.81Å
228N85Confident89Confident32 Ų3250.3 Ų50.317%0.17126%0.259CS..G310 helixtrans-62.7-23.9-178.2-57.99.5000113.1C129 G131 P132 C143 S226 F230C129-N228 HydrophobicContact CB-CB 4.19Å; C129-N228 PolarHBondContact O-ND2 2.97Å; G131-N228 WeakPolarHBondContact O-CB 3.23Å; G131-N228 PolarHBondContact O-OD1 2.67Å; P132-N228 WeakPolarHBondContact CA-OD1 3.3Å; C143-N228 PolarHBondContact SG-O 2.79Å; S226-N228 PolarHBondContact O-N 3.15Å; S226-N228 VanDerWaalsContact OG-CG 3.23Å; S226-N228 PolarHBondContact OG-N 3.36Å; S226-N228 PolarHBondContact OG-OD1 3.02Å; N228-F230 VanDerWaalsContact C-N 3.32Å
229Y87.7Confident89.2Confident33 Ų3345.3 Ų45.313%0.12923%0.232CC..G310 helixtrans-84.7-6.6-178.7-60.5-84.1000113.2C143 S144 F145 N227 Y238 P241C143-Y229 HydrophobicContact CB-CD1 3.84Å; C143-Y229 HydrophobicContact CB-CE1 3.88Å; S144-Y229 PolarHBondContact O-OH 2.87Å; F145-Y229 WeakPolarHBondContact CA-OH 3.16Å; F145-Y229 HydrophobicContact CB-CE1 3.88Å; F145-Y229 AromaticContact CD2-CE1 3.99Å; F145-Y229 HydrophobicContact CD2-CE1 3.99Å; F145-Y229 HydrophobicContact CD2-CE2 4.15Å; F145-Y229 AromaticContact CD2-CZ 3.6Å; F145-Y229 WeakPolarHBondContact CD2-OH 3.39Å; F145-Y229 HydrophobicContact CG-CE1 4.46Å; N227-Y229 PolarHBondContact O-N 3.17Å; Y229-Y238 VanDerWaalsContact O-CE2 3.32Å; Y229-Y238 WeakPolarHBondContact O-CE2 3.5Å; Y229-Y238 PolarHBondContact O-OH 2.82Å; Y229-P241 HydrophobicContact CD2-CB 3.72Å; Y229-P241 HydrophobicContact CD2-CG 4.1Å; Y229-P241 HydrophobicContact CE2-CB 4.11Å; Y229-P241 HydrophobicContact CG-CB 3.95Å; Y229-P241 HydrophobicContact CG-CG 4.01Å
230F88Confident89.3Confident12 Ų1242.8 Ų42.85%0.05321%0.206CC..  trans-111.4145.6-178.3-56.5-66.9000110.8G133 I171 W177 L178 P179 I225 N227 N228 P241G133-F230 WeakPolarHBondContact CA-O 3.23Å; I171-F230 HydrophobicContact CD1-CZ 4.38Å; W177-F230 AromaticContact CE3-CD1 3.69Å; W177-F230 HydrophobicContact CE3-CD1 3.69Å; W177-F230 AromaticContact CE3-CE1 3.8Å; W177-F230 HydrophobicContact CE3-CE1 3.8Å; W177-F230 HydrophobicContact CE3-CG 4.16Å; W177-F230 HydrophobicContact CE3-CZ 4.35Å; W177-F230 AromaticContact CZ3-CD1 3.76Å; W177-F230 HydrophobicContact CZ3-CD1 3.76Å; W177-F230 HydrophobicContact CZ3-CD2 4.08Å; W177-F230 AromaticContact CZ3-CE1 3.57Å; W177-F230 HydrophobicContact CZ3-CE1 3.57Å; W177-F230 AromaticContact CZ3-CE2 3.89Å; W177-F230 HydrophobicContact CZ3-CE2 3.89Å; W177-F230 HydrophobicContact CZ3-CG 4.02Å; W177-F230 AromaticContact CZ3-CZ 3.65Å; W177-F230 HydrophobicContact CZ3-CZ 3.65Å; L178-F230 HydrophobicContact CD2-CB 4.43Å; P179-F230 HydrophobicContact CG-CD2 4.43Å; I225-F230 HydrophobicContact CG2-CE2 3.73Å; I225-F230 HydrophobicContact CG2-CZ 4.03Å; N227-F230 PolarHBondContact O-N 2.81Å; N228-F230 VanDerWaalsContact C-N 3.32Å; F230-P241 HydrophobicContact CZ-CG 4.18Å
231P88.9Confident89.4Confident13 Ų1339.2 Ų39.28%0.08419%0.191CC..  cis-85.3155.85.432.4-33.2000114.5L134 W177 L178 L233L134-P231 HydrophobicContact CD1-CG 4.31Å; L134-P231 HydrophobicContact CG-CG 4.25Å; W177-P231 WeakPolarHBondContact O-CA 3.29Å; L178-P231 HydrophobicContact CG-CB 4.21Å; P231-L233 HydrophobicContact CB-CD2 4.22Å; P231-L233 HydrophobicContact CG-CD1 4.44Å; P231-L233 HydrophobicContact CG-CD2 4.13Å; P231-L233 HydrophobicContact CG-CG 4.13Å; P231-L233 PolarHBondContact O-N 3.37Å
232Y88.1Confident89.4Confident45 Ų4535.3 Ų35.318%0.17617%0.174CC..BIsolated β-bridgetrans-80.5113.7169174.6-111.9000110.7R173 Y175 G176 Y238R173-Y232 HydrophobicContact CB-CD1 3.93Å; R173-Y232 HydrophobicContact CB-CE1 4.09Å; R173-Y232 HydrophobicContact CB-CG 4.22Å; Y175-Y232 CarbonylContact C-O 3.5Å; Y175-Y232 WeakPolarHBondContact CA-O 3.27Å; G176-Y232 PolarHBondContact N-O 2.96Å; Y232-Y238 AromaticContact CD2-CD1 3.52Å; Y232-Y238 HydrophobicContact CD2-CD1 3.52Å; Y232-Y238 HydrophobicContact CD2-CD2 4.02Å; Y232-Y238 AromaticContact CD2-CE1 3.84Å; Y232-Y238 HydrophobicContact CD2-CE1 3.84Å; Y232-Y238 HydrophobicContact CD2-CE2 4.31Å; Y232-Y238 AromaticContact CD2-CG 3.62Å; Y232-Y238 HydrophobicContact CD2-CG 3.62Å; Y232-Y238 AromaticContact CE2-CD1 3.73Å; Y232-Y238 HydrophobicContact CE2-CD1 3.73Å; Y232-Y238 HydrophobicContact CE2-CE1 4.45Å; Y232-Y238 AromaticContact CE2-CG 3.8Å; Y232-Y238 HydrophobicContact CE2-CG 3.8Å
233L87.9Confident89.5Confident51 Ų5134.5 Ų34.527%0.26717%0.171SC..  trans-113.433.3-178.5-59.4-173.1000113.6L134 Y175 P231 M235L134-L233 HydrophobicContact CD1-CD1 4.15Å; L134-L233 HydrophobicContact CD2-CD1 3.5Å; L134-L233 VanDerWaalsContact CD2-CD1 3.5Å; L134-L233 HydrophobicContact CD2-CG 4.4Å; L134-L233 HydrophobicContact CG-CD1 4.35Å; Y175-L233 HydrophobicContact CE1-CD2 4.37Å; P231-L233 HydrophobicContact CB-CD2 4.22Å; P231-L233 HydrophobicContact CG-CD1 4.44Å; P231-L233 HydrophobicContact CG-CD2 4.13Å; P231-L233 HydrophobicContact CG-CG 4.13Å; P231-L233 PolarHBondContact O-N 3.37Å; L233-M235 PolarHBondContact O-N 3.27Å
234R86.4Confident89.6Confident139 Ų13934.5 Ų34.553%0.52517%0.171SC..  trans58.436.4-177.8-161.7-151.9-179.4-171.89.4113.1K65 Y175K65-R234 VanDerWaalsContact O-CZ 3.28Å; K65-R234 PolarHBondContact O-NH1 2.86Å; Y175-R234 HydrophobicContact CD2-CB 4.32Å; Y175-R234 HydrophobicContact CE2-CB 4.11Å
235M84.3Confident89.7Confident22 Ų2233.1 Ų33.111%0.10816%0.164CC..  trans-67.3136174.1-61.9170.7-8300110.2D140 P142 L233 Y238D140-M235 WeakPolarHBondContact O-CG 2.74Å; P142-M235 HydrophobicContact CB-CB 4.03Å; P142-M235 HydrophobicContact CB-SD 4.04Å; P142-M235 HydrophobicContact CG-CB 4.33Å; L233-M235 PolarHBondContact O-N 3.27Å; M235-Y238 HydrophobicContact CE-CD2 3.74Å; M235-Y238 HydrophobicContact CE-CE2 4.11Å; M235-Y238 WeakPolarHBondContact O-CB 3.29Å; M235-Y238 PolarHBondContact O-N 3.31Å
236N84.7Confident89.8Confident135 Ų13533 Ų3372%0.72216%0.163SC*.THydrogen-bonded Turntrans-64.9140.7175-71.5-29000109.7P142 Y238P142-N236 WeakPolarHBondContact CG-O 3.4Å; N236-Y238 PolarHBondContact O-N 3.35Å
237N86.1Confident90.1Very high108 Ų10830.8 Ų30.858%0.57815%0.148SC*.THydrogen-bonded Turntrans58.824.6-177.9-58.7-28.6000115.3N126 Q239N126-N237 PolarHBondContact ND2-O 2.97Å; N126-N237 VanDerWaalsContact ND2-O 3.14Å; N237-Q239 PolarHBondContact O-N 2.93Å
238Y89Confident90.2Very high13 Ų1330.1 Ų30.15%0.05115%0.145CC..PPolyproline II helixtrans-56.9122.1172.1176.8-98.2000111.9P142 R173 Y229 Y232 M235 N236 A240P142-Y238 HydrophobicContact CB-CD2 3.97Å; R173-Y238 HydrophobicContact CG-CD1 4.43Å; R173-Y238 HydrophobicContact CG-CE1 4.12Å; R173-Y238 PolarHBondContact NH2-O 3.35Å; Y229-Y238 VanDerWaalsContact O-CE2 3.32Å; Y229-Y238 WeakPolarHBondContact O-CE2 3.5Å; Y229-Y238 PolarHBondContact O-OH 2.82Å; Y232-Y238 AromaticContact CD2-CD1 3.52Å; Y232-Y238 HydrophobicContact CD2-CD1 3.52Å; Y232-Y238 HydrophobicContact CD2-CD2 4.02Å; Y232-Y238 AromaticContact CD2-CE1 3.84Å; Y232-Y238 HydrophobicContact CD2-CE1 3.84Å; Y232-Y238 HydrophobicContact CD2-CE2 4.31Å; Y232-Y238 AromaticContact CD2-CG 3.62Å; Y232-Y238 HydrophobicContact CD2-CG 3.62Å; Y232-Y238 AromaticContact CE2-CD1 3.73Å; Y232-Y238 HydrophobicContact CE2-CD1 3.73Å; Y232-Y238 HydrophobicContact CE2-CE1 4.45Å; Y232-Y238 AromaticContact CE2-CG 3.8Å; Y232-Y238 HydrophobicContact CE2-CG 3.8Å; M235-Y238 HydrophobicContact CE-CD2 3.74Å; M235-Y238 HydrophobicContact CE-CE2 4.11Å; M235-Y238 WeakPolarHBondContact O-CB 3.29Å; M235-Y238 PolarHBondContact O-N 3.31Å; N236-Y238 PolarHBondContact O-N 3.35Å; Y238-A240 HydrophobicContact CE1-CB 4.08Å
239Q89.9Confident90.4Very high7 Ų733.5 Ų33.53%0.03316%0.163CC..PPolyproline II helixtrans-94.9116.2176.9-74.7177.9-5.200108.8Y120 N126 F145 N237Y120-Q239 HydrophobicContact CD1-CB 3.71Å; Y120-Q239 HydrophobicContact CD1-CG 3.72Å; Y120-Q239 HydrophobicContact CE1-CB 3.63Å; Y120-Q239 HydrophobicContact CE1-CG 4.03Å; Y120-Q239 PolarHBondContact O-NE2 3.23Å; Y120-Q239 VanDerWaalsContact O-NE2 3.11Å; N126-Q239 PolarHBondContact ND2-NE2 2.86Å; F145-Q239 HydrophobicContact CB-CB 4.08Å; N237-Q239 PolarHBondContact O-N 2.93Å
240A91.8Very high90.6Very high1 Ų132.2 Ų32.21%0.00816%0.158CC..PPolyproline II helixtrans-77.2136.3179.800000108.9Y120 Y238 L242Y120-A240 WeakPolarHBondContact CE1-O 3.37Å; Y120-A240 PolarHBondContact OH-O 3.29Å; Y238-A240 HydrophobicContact CE1-CB 4.08Å; A240-L242 PolarHBondContact O-N 3.25Å
241P93.1Very high90.8Very high4 Ų434.3 Ų34.33%0.02617%0.172CC..PPolyproline II helixtrans-63.8133.8179.726.8-34.3000110.5F145 I225 Y229 F230F145-P241 HydrophobicContact CD2-CB 4.09Å; F145-P241 HydrophobicContact CE2-CB 4.08Å; I225-P241 HydrophobicContact CG2-CB 3.75Å; I225-P241 HydrophobicContact CG2-CG 3.39Å; Y229-P241 HydrophobicContact CD2-CB 3.72Å; Y229-P241 HydrophobicContact CD2-CG 4.1Å; Y229-P241 HydrophobicContact CE2-CB 4.11Å; Y229-P241 HydrophobicContact CG-CB 3.95Å; Y229-P241 HydrophobicContact CG-CG 4.01Å; F230-P241 HydrophobicContact CZ-CG 4.18Å
242L95.1Very high91Very high2 Ų236.9 Ų36.91%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-101.1147.2177.5-59.9-178.9000110.4A86 L116 F117 Y120 F145 L147 L150 K170 A240A86-L242 HydrophobicContact CB-CD2 4.18Å; L116-L242 HydrophobicContact CD2-CD1 4.12Å; L116-L242 HydrophobicContact CD2-CD2 4.49Å; L116-L242 HydrophobicContact CG-CD1 4.39Å; F117-L242 HydrophobicContact CE1-CD1 4.39Å; Y120-L242 HydrophobicContact CD2-CD1 4.19Å; Y120-L242 HydrophobicContact CE1-CD1 4.49Å; Y120-L242 HydrophobicContact CE1-CG 4.36Å; Y120-L242 HydrophobicContact CE2-CD1 3.72Å; Y120-L242 HydrophobicContact CE2-CD2 4.38Å; Y120-L242 HydrophobicContact CE2-CG 4.19Å; Y120-L242 WeakPolarHBondContact OH-CD2 3.19Å; F145-L242 HydrophobicContact CE1-CB 3.81Å; F145-L242 HydrophobicContact CE1-CD1 4.3Å; F145-L242 HydrophobicContact CE1-CG 4.12Å; F145-L242 HydrophobicContact CZ-CB 3.75Å; F145-L242 HydrophobicContact CZ-CG 4.48Å; F145-L242 VanDerWaalsContact CZ-O 3.31Å; F145-L242 WeakPolarHBondContact CZ-O 3.21Å; L147-L242 HydrophobicContact CD2-CD1 4.39Å; L150-L242 HydrophobicContact CD1-CD1 4.37Å; L150-L242 HydrophobicContact CD2-CB 4.11Å; K170-L242 HydrophobicContact CB-CD2 3.83Å; K170-L242 HydrophobicContact CD-CD2 4.38Å; A240-L242 PolarHBondContact O-N 3.25Å
243V95.9Very high91.2Very high0 Ų038.4 Ų38.40%019%0.192CC..EExtended strand (participates in β ladder)trans-123.4128.3166.31760000107.4L169 I192 I225L169-V243 PolarHBondContact N-O 2.75Å; L169-V243 PolarHBondContact O-N 3.46Å; I192-V243 HydrophobicContact CD1-CB 4.17Å; I192-V243 HydrophobicContact CD1-CG2 4.13Å; I225-V243 HydrophobicContact CD1-CG2 3.83Å; I225-V243 HydrophobicContact CG1-CG2 3.34Å
244A96.5Very high91.4Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-92.9134.5170.500000110.6L150 C153 L167 Y168 Y210 F211L150-A244 HydrophobicContact CB-CB 4.44Å; L150-A244 HydrophobicContact CD2-CB 4.01Å; C153-A244 HydrophobicContact CB-CB 3.52Å; L167-A244 CarbonylContact O-C 3.47Å; L167-A244 VanDerWaalsContact O-CA 3.29Å; L167-A244 WeakPolarHBondContact O-CA 3.36Å; Y168-A244 HydrophobicContact CD1-CB 3.97Å; Y168-A244 HydrophobicContact CE1-CB 3.97Å; Y210-A244 CarbonylContact C-O 3.55Å; Y210-A244 WeakPolarHBondContact CA-O 3.32Å; F211-A244 HydrophobicContact CB-CB 4.25Å; F211-A244 PolarHBondContact N-O 3.2Å; F211-A244 PolarHBondContact O-N 2.85Å
245V96Very high91.8Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-112.9111.6175.5-175.90000107.2C166 L167 L169 C194 V208 R209 Y210 L247C166-V245 CarbonylContact C-O 3.55Å; C166-V245 WeakPolarHBondContact CA-O 3.26Å; L167-V245 HydrophobicContact CB-CB 4.27Å; L167-V245 PolarHBondContact N-O 3.43Å; L167-V245 PolarHBondContact O-N 3.44Å; L169-V245 HydrophobicContact CD1-CG2 3.55Å; L169-V245 HydrophobicContact CG-CG2 4.2Å; C194-V245 HydrophobicContact CB-CG1 4.12Å; V208-V245 HydrophobicContact CG1-CG1 3.38Å; R209-V245 CarbonylContact O-C 3.59Å; R209-V245 WeakPolarHBondContact O-CA 3.43Å; Y210-V245 HydrophobicContact CD1-CG1 4.38Å; Y210-V245 HydrophobicContact CD1-CG2 3.93Å; Y210-V245 HydrophobicContact CE1-CG1 4.1Å; Y210-V245 HydrophobicContact CE1-CG2 4.03Å; V245-L247 HydrophobicContact CG1-CD2 4.26Å
246Q95.4Very high92.3Very high0 Ų034.3 Ų34.30%019%0.185CC..EExtended strand (participates in β ladder)trans-98.9119.4-178.9-174.3-171.159.400109.9E152 K164 L165 R209 F211E152-Q246 PolarHBondContact OE2-NE2 2.99Å; K164-Q246 HydrophobicContact CB-CG 4.14Å; K164-Q246 HydrophobicContact CD-CG 4.38Å; L165-Q246 CarbonylContact O-C 3.45Å; L165-Q246 WeakPolarHBondContact O-CA 3.46Å; R209-Q246 HydrophobicContact CB-CB 4.25Å; R209-Q246 PolarHBondContact N-O 3.45Å; R209-Q246 PolarHBondContact O-N 3.09Å; F211-Q246 HydrophobicContact CD2-CB 4.34Å; F211-Q246 HydrophobicContact CE2-CB 3.75Å; F211-Q246 HydrophobicContact CE2-CG 4.41Å
247L94.4Very high92.8Very high0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-94102.2173.9-53.4-178.1000107.9K164 L165 L167 L205 V208 V245 I250 V276K164-L247 WeakPolarHBondContact CA-O 3.43Å; L165-L247 HydrophobicContact CB-CB 4.4Å; L165-L247 HydrophobicContact CD2-CD1 4.4Å; L165-L247 PolarHBondContact N-O 3.1Å; L165-L247 VanDerWaalsContact N-O 3.07Å; L165-L247 PolarHBondContact O-N 3.01Å; L167-L247 HydrophobicContact CD1-CD1 3.76Å; L167-L247 HydrophobicContact CD1-CG 4.16Å; L205-L247 HydrophobicContact CD1-CD1 3.64Å; L205-L247 HydrophobicContact CD1-CD2 3.51Å; L205-L247 HydrophobicContact CD1-CG 4.11Å; L205-L247 HydrophobicContact CD2-CD2 4.5Å; L205-L247 HydrophobicContact CG-CD2 4.08Å; V208-L247 HydrophobicContact CG1-CD2 4.28Å; V208-L247 HydrophobicContact CG2-CD2 3.95Å; V245-L247 HydrophobicContact CG1-CD2 4.26Å; L247-I250 HydrophobicContact CD1-CD1 4.23Å; L247-V276 HydrophobicContact CD1-CG2 4.17Å
248S90.3Very high93.2Very high15 Ų1525.4 Ų25.411%0.10514%0.137CC..SBendtrans-86.6-40.4-174.3-60.10000112.8I207I207-S248 PolarHBondContact O-N 3.41Å
249N88.6Confident93.5Very high103 Ų10328.2 Ų28.255%0.55115%0.151SC*.SBendtrans-122.242.7-170-67.27.6000112
250I92.8Very high93.7Very high6 Ų627.9 Ų27.93%0.03115%0.15CC..PPolyproline II helixtrans-72.1139.1176.1-172.6168.2000110.7S204 L205 L247 R252 V256 V276 V278S204-I250 CarbonylContact O-C 3.56Å; S204-I250 VanDerWaalsContact O-CA 3.31Å; S204-I250 WeakPolarHBondContact O-CA 3.34Å; L205-I250 HydrophobicContact CD1-CD1 4.38Å; L247-I250 HydrophobicContact CD1-CD1 4.23Å; I250-R252 PolarHBondContact O-N 3.46Å; I250-V256 HydrophobicContact CD1-CB 4.05Å; I250-V256 HydrophobicContact CD1-CG2 3.94Å; I250-V256 HydrophobicContact CG1-CG2 3.95Å; I250-V276 HydrophobicContact CD1-CB 4.42Å; I250-V276 HydrophobicContact CD1-CG2 3.46Å; I250-V276 VanDerWaalsContact CD1-CG2 3.46Å; I250-V278 HydrophobicContact CD1-CG2 4.38Å; I250-V278 HydrophobicContact CG2-CB 4Å; I250-V278 HydrophobicContact CG2-CG2 3.68Å
251T92.5Very high93.8Very high56 Ų5631.7 Ų31.734%0.34416%0.164SC..PPolyproline II helixtrans-61.2128.7173.752.10000110.2S204 T254S204-T251 VanDerWaalsContact CB-OG1 3.27Å; S204-T251 WeakPolarHBondContact CB-OG1 3.2Å; S204-T251 PolarHBondContact O-N 3.38Å; S204-T251 PolarHBondContact O-OG1 3.26Å; T251-T254 PolarHBondContact O-OG1 2.92Å; T251-T254 VanDerWaalsContact O-OG1 3.08Å; T251-T254 PolarHBondContact OG1-OG1 2.93Å
252R92.3Very high93.8Very high68 Ų6831.8 Ų31.826%0.25716%0.164SC..THydrogen-bonded Turntrans-79155.2-175.7-54-60.7-172.4-159.2-7.6111.4G163 I250 T254 V278 D280G163-R252 PolarHBondContact O-NH1 2.86Å; G163-R252 PolarHBondContact O-NH2 2.86Å; I250-R252 PolarHBondContact O-N 3.46Å; R252-T254 PolarHBondContact O-N 3.3Å; R252-T254 VanDerWaalsContact O-N 3.16Å; R252-V278 CarbonylContact C-O 3.54Å; R252-V278 VanDerWaalsContact CA-O 3.26Å; R252-V278 WeakPolarHBondContact CA-O 3.14Å; R252-D280 HydrophobicContact CB-CB 3.82Å; R252-D280 HydrophobicContact CG-CB 3.84Å
253N91.6Very high93.7Very high77 Ų7732.9 Ų32.941%0.41217%0.17SC..THydrogen-bonded Turntrans58.425.8174.1-55.5-26.5000113.6V278 D279 D280N253-V278 PolarHBondContact N-O 2.9Å; N253-D279 VanDerWaalsContact OD1-CA 3.22Å; N253-D279 WeakPolarHBondContact OD1-CA 3.09Å; N253-D280 PolarHBondContact OD1-N 2.96Å; N253-D280 PolarHBondContact OD1-O 2.84Å
254T92.5Very high93.3Very high50 Ų5033.3 Ų33.331%0.30718%0.175SC..SBendtrans-137.1142.817956.90000109.6T251 R252T251-T254 PolarHBondContact O-OG1 2.92Å; T251-T254 VanDerWaalsContact O-OG1 3.08Å; T251-T254 PolarHBondContact OG1-OG1 2.93Å; R252-T254 PolarHBondContact O-N 3.3Å; R252-T254 VanDerWaalsContact O-N 3.16Å
255V94.1Very high93Very high76 Ų7633.8 Ų33.846%0.46118%0.178SC..EExtended strand (participates in β ladder)trans-80.8127.4172.4-177.40000108.8F95 E275 V276 C277F95-V255 HydrophobicContact CE2-CG1 4.42Å; F95-V255 HydrophobicContact CE2-CG2 4.36Å; V255-E275 HydrophobicContact CG1-CB 4.26Å; V255-V276 WeakPolarHBondContact CA-O 3.26Å; V255-C277 HydrophobicContact CG2-CB 4.23Å
256V94.9Very high92.6Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-118.1132.4178.6-176.10000109.4D201 L205 I250 V258 V276D201-V256 HydrophobicContact CB-CG1 4.08Å; L205-V256 HydrophobicContact CB-CG1 4.28Å; L205-V256 HydrophobicContact CD1-CG1 4.36Å; I250-V256 HydrophobicContact CD1-CB 4.05Å; I250-V256 HydrophobicContact CD1-CG2 3.94Å; I250-V256 HydrophobicContact CG1-CG2 3.95Å; V256-V258 HydrophobicContact CG1-CG2 4.35Å; V256-V276 HydrophobicContact CB-CG2 4.1Å; V256-V276 PolarHBondContact N-O 2.82Å; V256-V276 WeakPolarHBondContact O-CG2 3.43Å; V256-V276 PolarHBondContact O-N 3.45Å
257L95.2Very high91.8Very high56 Ų5643.6 Ų43.629%0.29323%0.225SC..EExtended strand (participates in β ladder)trans-89.6117.3176.7-57.7176.9000110.3G196 T197 D201 E275G196-L257 WeakPolarHBondContact CA-O 3.45Å; T197-L257 PolarHBondContact N-O 3.42Å; T197-L257 VanDerWaalsContact N-O 3.08Å; D201-L257 WeakPolarHBondContact CB-O 3.45Å; D201-L257 PolarHBondContact OD1-N 3.33Å; L257-E275 HydrophobicContact CD2-CB 4.28Å; L257-E275 HydrophobicContact CD2-CG 3.58Å
258V95Very high90.8Very high0 Ų045.7 Ų45.70%024%0.239CC..EExtended strand (participates in β ladder)trans-112.4130-178-178.30000109.6C194 L205 V256 G273 F274 V276C194-V258 HydrophobicContact CB-CG1 4.45Å; L205-V258 HydrophobicContact CD1-CG2 3.42Å; L205-V258 VanDerWaalsContact CD1-CG2 3.42Å; L205-V258 HydrophobicContact CD2-CG1 4.25Å; L205-V258 HydrophobicContact CD2-CG2 4.21Å; L205-V258 HydrophobicContact CG-CG2 4.43Å; V256-V258 HydrophobicContact CG1-CG2 4.35Å; V258-G273 CarbonylContact O-C 3.51Å; V258-G273 VanDerWaalsContact O-CA 3.31Å; V258-G273 WeakPolarHBondContact O-CA 3.32Å; V258-F274 HydrophobicContact CB-CD2 3.84Å; V258-F274 HydrophobicContact CB-CE2 3.33Å; V258-F274 HydrophobicContact CB-CZ 3.86Å; V258-F274 HydrophobicContact CG1-CD2 4.36Å; V258-F274 HydrophobicContact CG1-CE1 4.4Å; V258-F274 HydrophobicContact CG1-CE2 3.41Å; V258-F274 VanDerWaalsContact CG1-CE2 3.41Å; V258-F274 HydrophobicContact CG1-CZ 3.44Å; V258-F274 VanDerWaalsContact CG1-CZ 3.44Å; V258-F274 HydrophobicContact CG2-CE2 4.11Å; V258-F274 PolarHBondContact N-O 2.92Å; V258-F274 PolarHBondContact O-N 3.38Å; V258-V276 HydrophobicContact CG2-CG2 3.72Å
259E94.8Very high90Very high72 Ų7251.3 Ų51.334%0.33627%0.267SS..EExtended strand (participates in β ladder)trans-116.1128.1176-174.6-172.7-148.800109.8C194 G195 R261C194-E259 CarbonylContact C-O 3.59Å; C194-E259 VanDerWaalsContact CA-O 3.3Å; C194-E259 WeakPolarHBondContact CA-O 3.5Å; G195-E259 PolarHBondContact N-O 3.45Å; G195-E259 PolarHBondContact O-N 2.89Å; E259-R261 IonicContact OE2-NE 2.67Å
260C95.5Very high89.3Confident0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-116.7134.6175.1-63.40000110.9L169 I192 E193 C194 G271 T272 F274L169-C260 HydrophobicContact CD1-CB 3.8Å; L169-C260 VanDerWaalsContact CD1-SG 3.54Å; I192-C260 HydrophobicContact CG2-CB 4.21Å; E193-C260 CarbonylContact O-C 3.58Å; E193-C260 VanDerWaalsContact O-CA 3.29Å; E193-C260 WeakPolarHBondContact O-CA 3.36Å; C194-C260 HydrophobicContact CB-CB 4.13Å; C194-C260 WeakPolarHBondContact CB-SG 3.4Å; C194-C260 WeakPolarHBondContact SG-CB 3.35Å; C194-C260 CovalentContact SG-SG 2.03Å; C194-C260 PolarHBondContact SG-SG 2.94Å; C260-G271 CarbonylContact O-C 3.57Å; C260-G271 WeakPolarHBondContact O-CA 3.44Å; C260-T272 HydrophobicContact CB-CG2 4.27Å; C260-T272 PolarHBondContact N-O 2.92Å; C260-T272 PolarHBondContact O-N 3.38Å; C260-F274 HydrophobicContact CB-CE1 4.29Å; C260-F274 VanDerWaalsContact SG-CE1 3.53Å; C260-F274 WeakPolarHBondContact SG-CZ 3.3Å
261R94Very high88.9Confident80 Ų8048.9 Ų48.930%0.30227%0.267SS..EExtended strand (participates in β ladder)trans-128.6148.7-174.5-3.8-176.6-177.989.46.8110.7I83 I192 E193 E259I83-R261 VanDerWaalsContact CD1-C 3.44Å; I192-R261 WeakPolarHBondContact CA-O 3.41Å; E193-R261 PolarHBondContact N-O 3.15Å; E193-R261 PolarHBondContact O-N 3.01Å; E193-R261 IonicContact OE1-CZ 2.84Å; E193-R261 IonicContact OE1-NH1 3.92Å; E193-R261 PolarHBondContact OE1-NH1 3.45Å; E193-R261 IonicContact OE2-NH1 3.97Å; E193-R261 PolarHBondContact OE2-NH1 3.49Å; E259-R261 IonicContact OE2-NE 2.67Å
262L93.3Very high88.9Confident7 Ų747.1 Ų47.14%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-76.7136.7167-69.8173.3000110P81 I83 I171 A191 I192 L265 S268 G270P81-L262 HydrophobicContact CG-CD1 4.08Å; P81-L262 WeakPolarHBondContact O-CD1 3.34Å; I83-L262 HydrophobicContact CD1-CB 4.3Å; I83-L262 HydrophobicContact CD1-CD2 3.63Å; I83-L262 HydrophobicContact CD1-CG 3.48Å; I83-L262 VanDerWaalsContact CD1-CG 3.48Å; I83-L262 HydrophobicContact CG1-CD1 4.06Å; I83-L262 HydrophobicContact CG1-CD2 3.59Å; I83-L262 HydrophobicContact CG1-CG 3.49Å; I83-L262 VanDerWaalsContact CG1-CG 3.49Å; I171-L262 HydrophobicContact CD1-CD1 4.45Å; I171-L262 HydrophobicContact CD1-CD2 3.61Å; I171-L262 HydrophobicContact CG1-CD2 3.85Å; A191-L262 WeakPolarHBondContact O-CA 3.46Å; I192-L262 HydrophobicContact CG1-CD2 3.95Å; L262-L265 HydrophobicContact CB-CD1 4.33Å; L262-L265 HydrophobicContact CD1-CD1 4.36Å; L262-S268 PolarHBondContact O-OG 3.41Å; L262-G270 PolarHBondContact N-O 3.45Å; L262-G270 VanDerWaalsContact N-O 3.1Å
263V92.1Very high88.9Confident24 Ų2446 Ų4615%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-134.6162.6178.6-60.60000110.7I187 A191 E193 Y222 L265I187-V263 HydrophobicContact CD1-CG2 4.35Å; A191-V263 HydrophobicContact CB-CG2 3.92Å; A191-V263 PolarHBondContact N-O 3.09Å; A191-V263 VanDerWaalsContact N-O 3.16Å; A191-V263 WeakPolarHBondContact O-CG2 3.35Å; A191-V263 PolarHBondContact O-N 2.97Å; E193-V263 HydrophobicContact CB-CG1 3.96Å; E193-V263 HydrophobicContact CB-CG2 4.25Å; Y222-V263 HydrophobicContact CD1-CG2 3.69Å; Y222-V263 HydrophobicContact CE1-CG2 3.8Å; Y222-V263 HydrophobicContact CG-CG2 4.45Å; V263-L265 VanDerWaalsContact C-N 3.32Å
264G88.6Confident88.9Confident10 Ų1042.5 Ų42.510%0.10325%0.247CC..SBendtrans80.210.6-178.400000114.4L181 E182L181-G264 WeakPolarHBondContact CA-O 3.48Å; E182-G264 PolarHBondContact N-O 3.38Å; E182-G264 VanDerWaalsContact N-O 3.1Å
265L90.2Very high89Confident9 Ų944.3 Ų44.35%0.04725%0.252CS..BIsolated β-bridgetrans-116.6139.6179.9-67173000110W177 P179 D180 L181 P190 L262 V263 N267 S268W177-L265 HydrophobicContact CH2-CD1 4.27Å; W177-L265 HydrophobicContact CZ2-CD1 3.98Å; W177-L265 HydrophobicContact CZ2-CD2 4.32Å; P179-L265 HydrophobicContact CB-CD2 3.62Å; D180-L265 WeakPolarHBondContact O-CA 3.33Å; L181-L265 HydrophobicContact CD2-CD2 4.26Å; P190-L265 HydrophobicContact CB-CD1 4.44Å; P190-L265 HydrophobicContact CG-CD2 4.17Å; L262-L265 HydrophobicContact CB-CD1 4.33Å; L262-L265 HydrophobicContact CD1-CD1 4.36Å; V263-L265 VanDerWaalsContact C-N 3.32Å; L265-N267 VanDerWaalsContact C-N 3.27Å; L265-N267 PolarHBondContact O-N 2.85Å; L265-S268 PolarHBondContact O-OG 3.36Å
266K86.1Confident89Confident115 Ų11540.7 Ų40.750%0.523%0.23SC..THydrogen-bonded Turntrans-61.9-35.1178.8-66.6-165.7-168.2117.10113.4D180 L181 E182D180-K266 PolarHBondContact O-N 2.78Å; D180-K266 IonicContact OD1-NZ 2.75Å; D180-K266 PolarHBondContact OD1-NZ 2.82Å; D180-K266 WeakPolarHBondContact OD2-CD 3.25Å; D180-K266 IonicContact OD2-NZ 2.69Å; D180-K266 PolarHBondContact OD2-NZ 3.37Å; L181-K266 WeakPolarHBondContact O-CE 3.49Å; E182-K266 HydrophobicContact CB-CG 4.01Å; E182-K266 HydrophobicContact CG-CG 4.42Å
267N78.7Confident88.9Confident92 Ų9241.2 Ų41.249%0.49223%0.234SC..THydrogen-bonded Turntrans-125.669.7-176.4-74.6-21.8000110.5Q80 L265Q80-N267 WeakPolarHBondContact CG-O 3.48Å; L265-N267 VanDerWaalsContact C-N 3.27Å; L265-N267 PolarHBondContact O-N 2.85Å
268S74.6Confident88.8Confident43 Ų4338.7 Ų38.730%0.30122%0.221SC..  trans-112.1109.4172.951.40000111.9L262 L265L262-S268 PolarHBondContact O-OG 3.41Å; L265-S268 PolarHBondContact O-OG 3.36Å
269I72.5Confident88.7Confident134 Ų13440.3 Ų40.369%0.68723%0.229SC*.  trans-107-4.1169.1-52.3-176.2000110.5Q80 G271Q80-I269 VanDerWaalsContact OE1-CD1 3.31Å; I269-G271 PolarHBondContact O-N 3.49Å
270G74.5Confident88.5Confident13 Ų1339.8 Ų39.813%0.13423%0.229CC..  trans-73.1113.2-177.100000113L262L262-G270 PolarHBondContact N-O 3.45Å; L262-G270 VanDerWaalsContact N-O 3.1Å
271G84.8Confident87.8Confident44 Ų4447.2 Ų47.245%0.45426%0.261SS..EExtended strand (participates in β ladder)trans-130.3159165.300000111.4C260 I269C260-G271 CarbonylContact O-C 3.57Å; C260-G271 WeakPolarHBondContact O-CA 3.44Å; I269-G271 PolarHBondContact O-N 3.49Å
272T90.7Very high86.5Confident20 Ų2050 Ų5012%0.12328%0.282CS..EExtended strand (participates in β ladder)trans-136130171.4-168.30000109.5I83 L169 C260 F274I83-T272 HydrophobicContact CB-CG2 3.99Å; I83-T272 HydrophobicContact CG2-CG2 3.73Å; I83-T272 WeakPolarHBondContact O-CB 3.48Å; L169-T272 HydrophobicContact CD2-CG2 4.34Å; C260-T272 HydrophobicContact CB-CG2 4.27Å; C260-T272 PolarHBondContact N-O 2.92Å; C260-T272 PolarHBondContact O-N 3.38Å; T272-F274 HydrophobicContact CG2-CD1 4.33Å; T272-F274 HydrophobicContact CG2-CE1 4.33Å
273G92.2Very high84.5Confident44 Ų4454.7 Ų54.745%0.45432%0.316SS..EExtended strand (participates in β ladder)trans-103.5141.5174.100000110.8V258V258-G273 CarbonylContact O-C 3.51Å; V258-G273 VanDerWaalsContact O-CA 3.31Å; V258-G273 WeakPolarHBondContact O-CA 3.32Å
274F92.4Very high82.3Confident4 Ų457 Ų572%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-147.3159.6176.248.7-96.8000111T94 L167 L169 V258 C260 T272 V276T94-F274 WeakPolarHBondContact O-CB 3.31Å; L167-F274 HydrophobicContact CD1-CD2 4.27Å; L167-F274 HydrophobicContact CD1-CE2 3.25Å; L167-F274 HydrophobicContact CD1-CZ 3.6Å; L167-F274 HydrophobicContact CG-CE2 4.44Å; L169-F274 HydrophobicContact CD2-CE1 4.1Å; V258-F274 HydrophobicContact CB-CD2 3.84Å; V258-F274 HydrophobicContact CB-CE2 3.33Å; V258-F274 HydrophobicContact CB-CZ 3.86Å; V258-F274 HydrophobicContact CG1-CD2 4.36Å; V258-F274 HydrophobicContact CG1-CE1 4.4Å; V258-F274 HydrophobicContact CG1-CE2 3.41Å; V258-F274 VanDerWaalsContact CG1-CE2 3.41Å; V258-F274 HydrophobicContact CG1-CZ 3.44Å; V258-F274 VanDerWaalsContact CG1-CZ 3.44Å; V258-F274 HydrophobicContact CG2-CE2 4.11Å; V258-F274 PolarHBondContact N-O 2.92Å; V258-F274 PolarHBondContact O-N 3.38Å; C260-F274 HydrophobicContact CB-CE1 4.29Å; C260-F274 VanDerWaalsContact SG-CE1 3.53Å; C260-F274 WeakPolarHBondContact SG-CZ 3.3Å; T272-F274 HydrophobicContact CG2-CD1 4.33Å; T272-F274 HydrophobicContact CG2-CE1 4.33Å; F274-V276 HydrophobicContact CD2-CG1 3.83Å; F274-V276 HydrophobicContact CE2-CG1 4.09Å
275E93.9Very high79.7Confident87 Ų8769.7 Ų69.741%0.40740%0.396SS..EExtended strand (participates in β ladder)trans-109.1126.8-174.6-52.4-174164.200108T94 F95 I96 V255 L257T94-E275 PolarHBondContact O-N 2.97Å; F95-E275 CarbonylContact C-O 3.5Å; F95-E275 WeakPolarHBondContact CA-O 3.37Å; F95-E275 HydrophobicContact CB-CB 4.5Å; F95-E275 HydrophobicContact CD2-CB 3.8Å; I96-E275 PolarHBondContact N-O 2.83Å; V255-E275 HydrophobicContact CG1-CB 4.26Å; L257-E275 HydrophobicContact CD2-CB 4.28Å; L257-E275 HydrophobicContact CD2-CG 3.58Å
276V94.3Very high79.2Confident0 Ų072.7 Ų72.70%041%0.414CS..EExtended strand (participates in β ladder)trans-122.3138.3179.8-63.70000110.4I96 L165 L167 L247 I250 V255 V256 V258 F274I96-V276 HydrophobicContact CB-CG1 4.27Å; I96-V276 HydrophobicContact CD1-CG1 4.3Å; I96-V276 CarbonylContact O-C 3.57Å; I96-V276 WeakPolarHBondContact O-CA 3.25Å; L165-V276 HydrophobicContact CD2-CB 4Å; L165-V276 HydrophobicContact CD2-CG1 3.94Å; L167-V276 HydrophobicContact CD1-CG1 4.4Å; L167-V276 HydrophobicContact CD2-CG1 4.23Å; L247-V276 HydrophobicContact CD1-CG2 4.17Å; I250-V276 HydrophobicContact CD1-CB 4.42Å; I250-V276 HydrophobicContact CD1-CG2 3.46Å; I250-V276 VanDerWaalsContact CD1-CG2 3.46Å; V255-V276 WeakPolarHBondContact CA-O 3.26Å; V256-V276 HydrophobicContact CB-CG2 4.1Å; V256-V276 PolarHBondContact N-O 2.82Å; V256-V276 WeakPolarHBondContact O-CG2 3.43Å; V256-V276 PolarHBondContact O-N 3.45Å; V258-V276 HydrophobicContact CG2-CG2 3.72Å; F274-V276 HydrophobicContact CD2-CG1 3.83Å; F274-V276 HydrophobicContact CE2-CG1 4.09Å
277C93.5Very high78.8Confident11 Ų1170.5 Ų70.57%0.07441%0.409CS..EExtended strand (participates in β ladder)trans-131.2125.2170.2-167.70000108.5F95 I96 V98 V255 D279F95-C277 HydrophobicContact CE2-CB 3.81Å; F95-C277 HydrophobicContact CZ-CB 3.87Å; I96-C277 PolarHBondContact O-N 3.44Å; V98-C277 PolarHBondContact N-O 2.93Å; V255-C277 HydrophobicContact CG2-CB 4.23Å; C277-D279 PolarHBondContact SG-OD1 3.23Å
278V93.8Very high78.8Confident3 Ų369.3 Ų69.32%0.01841%0.405CS..EExtended strand (participates in β ladder)trans-115.1107.7174.2-173.80000108.9V98 T100 L165 I250 R252 N253V98-V278 HydrophobicContact CG2-CB 4.32Å; V98-V278 HydrophobicContact CG2-CG1 4.13Å; V98-V278 HydrophobicContact CG2-CG2 3.8Å; V98-V278 CarbonylContact O-C 3.56Å; V98-V278 WeakPolarHBondContact O-CA 3.38Å; T100-V278 HydrophobicContact CG2-CG1 3.78Å; L165-V278 HydrophobicContact CB-CG2 4.07Å; L165-V278 HydrophobicContact CD2-CG2 3.95Å; I250-V278 HydrophobicContact CD1-CG2 4.38Å; I250-V278 HydrophobicContact CG2-CB 4Å; I250-V278 HydrophobicContact CG2-CG2 3.68Å; R252-V278 CarbonylContact C-O 3.54Å; R252-V278 VanDerWaalsContact CA-O 3.26Å; R252-V278 WeakPolarHBondContact CA-O 3.14Å; N253-V278 PolarHBondContact N-O 2.9Å
279D92.9Very high79.1Confident35 Ų3570.8 Ų70.819%0.18741%0.411CS..EExtended strand (participates in β ladder)trans-82.8135.6179.6-67.91.8000109.9H97 V98 A99 T100 N253 C277H97-D279 IonicContact CD2-OD1 3.91Å; H97-D279 IonicContact CD2-OD2 3.94Å; H97-D279 IonicContact CE1-OD2 3.33Å; H97-D279 PolarHBondContact CE1-OD2 3.49Å; H97-D279 IonicContact NE2-OD1 2.7Å; H97-D279 PolarHBondContact NE2-OD1 3.4Å; H97-D279 IonicContact NE2-OD2 3.05Å; H97-D279 PolarHBondContact NE2-OD2 3.36Å; V98-D279 PolarHBondContact O-N 3.32Å; A99-D279 CarbonylContact C-O 3.11Å; A99-D279 VanDerWaalsContact CA-O 3.32Å; A99-D279 WeakPolarHBondContact CA-O 3.27Å; A99-D279 HydrophobicContact CB-CB 4.3Å; T100-D279 WeakPolarHBondContact CG2-O 3.15Å; T100-D279 PolarHBondContact N-O 2.9Å; T100-D279 PolarHBondContact OG1-O 3.15Å; N253-D279 VanDerWaalsContact OD1-CA 3.22Å; N253-D279 WeakPolarHBondContact OD1-CA 3.09Å; C277-D279 PolarHBondContact SG-OD1 3.23Å
280D89Confident79.5Confident61 Ų6166.9 Ų66.933%0.32639%0.393SS..  trans-106.5155.4168.8-156.63.1000109.7T100 R252 N253 D282T100-D280 WeakPolarHBondContact OG1-CA 3.42Å; T100-D280 PolarHBondContact OG1-OD1 3.41Å; R252-D280 HydrophobicContact CB-CB 3.82Å; R252-D280 HydrophobicContact CG-CB 3.84Å; N253-D280 PolarHBondContact OD1-N 2.96Å; N253-D280 PolarHBondContact OD1-O 2.84Å; D280-D282 PolarHBondContact O-N 3.28Å
281K81.2Confident79.8Confident156 Ų15670.5 Ų70.568%0.67841%0.411SS*.  trans-59118.9177.7-170.5176-176.5177.20107.1F101 S283F101-K281 HydrophobicContact CD1-CB 4Å; F101-K281 HydrophobicContact CE1-CB 4.45Å; K281-S283 PolarHBondContact O-N 3.05Å
282D67.5Low79.5Confident138 Ų13872.4 Ų72.474%0.73841%0.408SS*.  trans-38111.2-177.3-89.7-29.1000109.3D280 G284D280-D282 PolarHBondContact O-N 3.28Å; D282-G284 PolarHBondContact O-N 2.69Å
283S51.8Low78.6Confident106 Ų10676.4 Ų76.474%0.74143%0.429SS*.  trans-71.475165.4-63.60000105.1K281 K285K281-S283 PolarHBondContact O-N 3.05Å; S283-K285 VanDerWaalsContact C-N 3.34Å; S283-K285 PolarHBondContact O-N 3.4Å
284G45Very low77.5Confident72 Ų7279.1 Ų79.174%0.74243%0.427SS*.  trans-51.8101.4178.500000108.5D282D282-G284 PolarHBondContact O-N 2.69Å
285K34.8Very low76.1Confident276 Ų27685.9 Ų85.9100%1.247%0.465SS*.  trans-87.90147-80.2-172.3176.6-179.80107.3S283S283-K285 VanDerWaalsContact C-N 3.34Å; S283-K285 PolarHBondContact O-N 3.4Å

Retrieved 285 of 285 residues in 163.9 ms (Link to these results)