A0A060VY60_ONCMY Loading...

Leucine rich repeat containing 73

AlphaFold DB , UniProt , Accession A0A060VY60, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 308 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
1M47.3Very low79.9Confident206 Ų20683.3 Ų83.3100%1.01548%0.475SS*.  0107.90-65.8-66.4-104.200107.6
2L47Very low80.8Confident129 Ų12984.4 Ų84.468%0.67549%0.485SS*.  trans-64.9140.2167.6-73.2154.8000107.2G4 S5L2-G4 PolarHBondContact O-N 2.99Å; L2-G4 VanDerWaalsContact O-N 3.08Å; L2-S5 PolarHBondContact N-OG 3.43Å; L2-S5 PolarHBondContact O-N 3.46Å; L2-S5 VanDerWaalsContact O-N 3.1Å; L2-S5 PolarHBondContact O-OG 3.39Å; L2-S5 VanDerWaalsContact O-OG 3.12Å
3P63.8Low81.7Confident126 Ų12678.6 Ų78.682%0.81845%0.452SS*.THydrogen-bonded Turntrans-56.4120.9177.120.1-28.8000109.4
4G84Confident82.4Confident24 Ų2476.8 Ų76.825%0.24745%0.446CS..THydrogen-bonded Turntrans80.422-179.400000116.6L2 S29 V30 R31 L32L2-G4 PolarHBondContact O-N 2.99Å; L2-G4 VanDerWaalsContact O-N 3.08Å; G4-S29 WeakPolarHBondContact CA-O 3.44Å; G4-V30 CarbonylContact O-C 3.42Å; G4-V30 WeakPolarHBondContact O-CA 3.49Å; G4-R31 PolarHBondContact O-N 3.14Å; G4-L32 PolarHBondContact O-N 3.16Å
5S92.4Very high83.1Confident15 Ų1574.9 Ų74.911%0.10545%0.45CS..EExtended strand (participates in β ladder)trans-111.1127.116869.20000111.6L2 L32L2-S5 PolarHBondContact N-OG 3.43Å; L2-S5 PolarHBondContact O-N 3.46Å; L2-S5 VanDerWaalsContact O-N 3.1Å; L2-S5 PolarHBondContact O-OG 3.39Å; L2-S5 VanDerWaalsContact O-OG 3.12Å; S5-L32 CarbonylContact C-O 3.55Å; S5-L32 WeakPolarHBondContact CA-O 3.33Å
6I92.9Very high83.7Confident31 Ų3174.1 Ų74.116%0.15945%0.454CS..EExtended strand (participates in β ladder)trans-111.2120.1167-59.1179000107.4I8 I21 V30 L32 L33 S34I6-I8 HydrophobicContact CG2-CD1 4.19Å; I6-I8 HydrophobicContact CG2-CG1 4.23Å; I6-I21 HydrophobicContact CD1-CG1 4.43Å; I6-I21 HydrophobicContact CG2-CG1 4.27Å; I6-V30 HydrophobicContact CD1-CG1 4.43Å; I6-V30 HydrophobicContact CD1-CG2 3.55Å; I6-V30 HydrophobicContact CG1-CG1 4.28Å; I6-V30 HydrophobicContact CG1-CG2 4Å; I6-L32 PolarHBondContact N-O 3.44Å; I6-L33 HydrophobicContact CB-CD1 3.93Å; I6-L33 HydrophobicContact CG2-CD1 3.93Å; I6-L33 CarbonylContact O-C 3.54Å; I6-L33 WeakPolarHBondContact O-CA 3.39Å; I6-S34 PolarHBondContact O-N 3.1Å
7Q93.4Very high84.3Confident117 Ų11773.6 Ų73.655%0.54745%0.445SS..EExtended strand (participates in β ladder)trans-133.5115.3179-60.7-173.745.300109.6L32 S34Q7-L32 HydrophobicContact CG-CD2 3.51Å; Q7-S34 WeakPolarHBondContact CA-O 3.27Å
8I91.6Very high84.9Confident27 Ų2769.7 Ų69.714%0.13842%0.421CS..EExtended strand (participates in β ladder)trans-128.6137.1178.4-50.3172.5000106.8I6 E11 L13 I21 S34 I35 R36I6-I8 HydrophobicContact CG2-CD1 4.19Å; I6-I8 HydrophobicContact CG2-CG1 4.23Å; I8-E11 HydrophobicContact CG2-CB 4.3Å; I8-L13 HydrophobicContact CB-CD2 4.26Å; I8-L13 HydrophobicContact CD1-CD2 3.58Å; I8-L13 HydrophobicContact CG2-CD2 3.75Å; I8-I21 HydrophobicContact CD1-CD1 3.99Å; I8-S34 PolarHBondContact N-O 3Å; I8-I35 CarbonylContact O-C 3.59Å; I8-I35 WeakPolarHBondContact O-CA 3.41Å; I8-R36 PolarHBondContact O-N 3.48Å
9T91.1Very high85.4Confident72 Ų7272.6 Ų72.644%0.44243%0.427SS..EExtended strand (participates in β ladder)trans-139.6126.5-174-62.10000112.1E11 R36T9-E11 PolarHBondContact O-N 3.5Å; T9-R36 CarbonylContact C-O 3.47Å; T9-R36 WeakPolarHBondContact CA-O 3.47Å; T9-R36 HydrophobicContact CG2-CB 4.37Å; T9-R36 HydrophobicContact CG2-CG 4.28Å
10G87.3Confident85.9Confident52 Ų5273.7 Ų73.754%0.53643%0.431SS..SBendtrans73.21.1170.300000116.1R36 G37G10-R36 PolarHBondContact N-O 3.37Å; G10-G37 WeakPolarHBondContact CA-O 3.3Å
11E87.8Confident86.3Confident117 Ų11770.4 Ų70.455%0.54741%0.412SS..SBendtrans-98.4158.2-175.5-67179.2159.800112.4I8 T9 C38 Q39I8-E11 HydrophobicContact CG2-CB 4.3Å; T9-E11 PolarHBondContact O-N 3.5Å; E11-C38 CarbonylContact O-C 3.3Å; E11-C38 WeakPolarHBondContact O-CA 3.47Å; E11-C38 WeakPolarHBondContact O-CB 3.42Å; E11-Q39 PolarHBondContact O-N 3.19Å
12T91.4Very high88.6Confident97 Ų9761.2 Ų61.260%0.59537%0.368SS*.BIsolated β-bridgetrans-81.9116.6169.8-59.30000109.1S14 Q39T12-S14 PolarHBondContact O-N 3.34Å; T12-Q39 WeakPolarHBondContact CA-O 3.44Å; T12-Q39 HydrophobicContact CG2-CB 4.41Å
13L91.6Very high90.9Very high9 Ų957.9 Ų57.95%0.04735%0.351CS..PPolyproline II helixtrans-76120-179.4-64.6173.8000110.5I8 E17 I18 I21 I35 C38 Q39 L40I8-L13 HydrophobicContact CB-CD2 4.26Å; I8-L13 HydrophobicContact CD1-CD2 3.58Å; I8-L13 HydrophobicContact CG2-CD2 3.75Å; L13-E17 HydrophobicContact CD2-CB 4.47Å; L13-I18 HydrophobicContact CB-CD1 3.75Å; L13-I18 HydrophobicContact CB-CG1 4Å; L13-I18 HydrophobicContact CD1-CD1 3.74Å; L13-I18 HydrophobicContact CG-CD1 4.37Å; L13-I21 HydrophobicContact CD1-CD1 4.44Å; L13-I35 HydrophobicContact CD1-CB 4.34Å; L13-I35 HydrophobicContact CD1-CG2 4.02Å; L13-C38 HydrophobicContact CD1-CB 3.88Å; L13-C38 HydrophobicContact CG-CB 3.97Å; L13-Q39 PolarHBondContact N-O 3.23Å; L13-L40 HydrophobicContact CD1-CD1 4.42Å
14S92.6Very high92.3Very high53 Ų5353.3 Ų53.337%0.37132%0.322SS..PPolyproline II helixtrans-71.215917371.40000111.5T12 A16 E17 I18T12-S14 PolarHBondContact O-N 3.34Å; S14-A16 PolarHBondContact O-N 3.27Å; S14-A16 VanDerWaalsContact O-N 3.17Å; S14-E17 WeakPolarHBondContact CA-OE2 3.21Å; S14-E17 WeakPolarHBondContact CB-OE2 3.32Å; S14-E17 PolarHBondContact N-OE2 3.24Å; S14-E17 PolarHBondContact O-N 3.03Å; S14-E17 WeakPolarHBondContact OG-CG 3.42Å; S14-E17 PolarHBondContact OG-N 3.45Å; S14-E17 PolarHBondContact OG-OE2 3.06Å; S14-I18 WeakPolarHBondContact O-CG1 3.49Å; S14-I18 PolarHBondContact O-N 3.29Å
15G92.3Very high92.8Very high49 Ų4952.1 Ų52.151%0.50531%0.31SS..Hα-helixtrans-61.2-24.8176.500000114K19G15-K19 WeakPolarHBondContact O-CB 3.39Å; G15-K19 PolarHBondContact O-N 3.46Å
16A92.3Very high92.9Very high62 Ų6256.5 Ų56.551%0.51233%0.327SS..Hα-helixtrans-72-49.2174.600000110.8S14 I18 K19 D20S14-A16 PolarHBondContact O-N 3.27Å; S14-A16 VanDerWaalsContact O-N 3.17Å; A16-I18 VanDerWaalsContact C-N 3.33Å; A16-I18 PolarHBondContact O-N 3.22Å; A16-K19 WeakPolarHBondContact O-CA 3.44Å; A16-K19 WeakPolarHBondContact O-CB 3.24Å; A16-K19 PolarHBondContact O-N 3.01Å; A16-D20 VanDerWaalsContact O-CG 3.32Å; A16-D20 PolarHBondContact O-N 2.72Å
17E94.1Very high92.9Very high66 Ų6662.1 Ų62.131%0.30835%0.352SS..Hα-helixtrans-61.5-41.3177.2-68.7159.5133.200111.8L13 S14 K19 D20 I21L13-E17 HydrophobicContact CD2-CB 4.47Å; S14-E17 WeakPolarHBondContact CA-OE2 3.21Å; S14-E17 WeakPolarHBondContact CB-OE2 3.32Å; S14-E17 PolarHBondContact N-OE2 3.24Å; S14-E17 PolarHBondContact O-N 3.03Å; S14-E17 WeakPolarHBondContact OG-CG 3.42Å; S14-E17 PolarHBondContact OG-N 3.45Å; S14-E17 PolarHBondContact OG-OE2 3.06Å; E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 3.37Å; E17-D20 PolarHBondContact O-N 2.82Å; E17-I21 WeakPolarHBondContact O-CB 3.48Å; E17-I21 WeakPolarHBondContact O-CD1 3.36Å; E17-I21 WeakPolarHBondContact O-CG1 3.45Å; E17-I21 PolarHBondContact O-N 3.5Å
18I95.4Very high92.8Very high2 Ų259.6 Ų59.61%0.0134%0.343CS..Hα-helixtrans-59.6-41.4174.3-66.2-68.3000110.9L13 S14 A16 C22 L40 D44 R47 V48L13-I18 HydrophobicContact CB-CD1 3.75Å; L13-I18 HydrophobicContact CB-CG1 4Å; L13-I18 HydrophobicContact CD1-CD1 3.74Å; L13-I18 HydrophobicContact CG-CD1 4.37Å; S14-I18 WeakPolarHBondContact O-CG1 3.49Å; S14-I18 PolarHBondContact O-N 3.29Å; A16-I18 VanDerWaalsContact C-N 3.33Å; A16-I18 PolarHBondContact O-N 3.22Å; I18-C22 WeakPolarHBondContact O-CB 3.5Å; I18-C22 PolarHBondContact O-N 3.16Å; I18-C22 PolarHBondContact O-SG 3.15Å; I18-L40 HydrophobicContact CD1-CB 4.47Å; I18-L40 HydrophobicContact CD1-CD1 3.97Å; I18-D44 HydrophobicContact CD1-CB 4.17Å; I18-D44 HydrophobicContact CG1-CB 4.04Å; I18-D44 HydrophobicContact CG2-CB 4.07Å; I18-R47 HydrophobicContact CG2-CB 4.34Å; I18-V48 HydrophobicContact CD1-CG2 3.82Å; I18-V48 HydrophobicContact CG2-CG2 4.24Å
19K94.8Very high92.8Very high125 Ų12561.2 Ų61.254%0.54336%0.356SS..Hα-helixtrans-65.1-46.7177.8-172.3-170.3172.1-161.60110.6G15 A16 E17 I21 C22 D23G15-K19 WeakPolarHBondContact O-CB 3.39Å; G15-K19 PolarHBondContact O-N 3.46Å; A16-K19 WeakPolarHBondContact O-CA 3.44Å; A16-K19 WeakPolarHBondContact O-CB 3.24Å; A16-K19 PolarHBondContact O-N 3.01Å; E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 3.37Å; K19-I21 VanDerWaalsContact C-N 3.33Å; K19-I21 PolarHBondContact O-N 3.41Å; K19-C22 WeakPolarHBondContact O-CB 3.4Å; K19-C22 PolarHBondContact O-N 3.06Å; K19-C22 VanDerWaalsContact O-N 3.09Å; K19-D23 WeakPolarHBondContact CE-OD2 3.31Å; K19-D23 WeakPolarHBondContact O-CB 3.3Å; K19-D23 PolarHBondContact O-N 2.74Å
20D94.3Very high92.9Very high95 Ų9557.9 Ų57.951%0.50834%0.336SS..Hα-helixtrans-63.1-39.4-179.9-64.4-15.8000111.6A16 E17 D23 S24A16-D20 VanDerWaalsContact O-CG 3.32Å; A16-D20 PolarHBondContact O-N 2.72Å; E17-D20 PolarHBondContact O-N 2.82Å; D20-D23 PolarHBondContact O-N 2.69Å; D20-S24 VanDerWaalsContact O-CB 3.3Å; D20-S24 WeakPolarHBondContact O-CB 3.45Å; D20-S24 PolarHBondContact O-N 2.94Å; D20-S24 PolarHBondContact O-OG 2.95Å
21I95.1Very high93.3Very high4 Ų464 Ų642%0.02134%0.343CS..Hα-helixtrans-59.4-49.3171.2-69.2163.5000110.3I6 I8 L13 E17 K19 D23 S24 L25 L33 I35 V48I6-I21 HydrophobicContact CD1-CG1 4.43Å; I6-I21 HydrophobicContact CG2-CG1 4.27Å; I8-I21 HydrophobicContact CD1-CD1 3.99Å; L13-I21 HydrophobicContact CD1-CD1 4.44Å; E17-I21 WeakPolarHBondContact O-CB 3.48Å; E17-I21 WeakPolarHBondContact O-CD1 3.36Å; E17-I21 WeakPolarHBondContact O-CG1 3.45Å; E17-I21 PolarHBondContact O-N 3.5Å; K19-I21 VanDerWaalsContact C-N 3.33Å; K19-I21 PolarHBondContact O-N 3.41Å; I21-D23 PolarHBondContact O-N 3.07Å; I21-S24 PolarHBondContact O-N 3.45Å; I21-L25 HydrophobicContact CG2-CD1 3.84Å; I21-L25 HydrophobicContact CG2-CG 4.4Å; I21-L25 WeakPolarHBondContact O-CB 3.39Å; I21-L25 VanDerWaalsContact O-CG 3.25Å; I21-L25 WeakPolarHBondContact O-CG 3.25Å; I21-L25 PolarHBondContact O-N 3.39Å; I21-L33 HydrophobicContact CG2-CD1 3.96Å; I21-L33 HydrophobicContact CG2-CD2 4.02Å; I21-I35 HydrophobicContact CD1-CG2 4.33Å; I21-V48 HydrophobicContact CG2-CG1 4.41Å; I21-V48 HydrophobicContact CG2-CG2 4.45Å
22C95.3Very high93.8Very high14 Ų1459.9 Ų59.910%0.09533%0.325CS..Hα-helixtrans-63-42.6-178.8-69.20000112.2I18 K19 L25 K26I18-C22 WeakPolarHBondContact O-CB 3.5Å; I18-C22 PolarHBondContact O-N 3.16Å; I18-C22 PolarHBondContact O-SG 3.15Å; K19-C22 WeakPolarHBondContact O-CB 3.4Å; K19-C22 PolarHBondContact O-N 3.06Å; K19-C22 VanDerWaalsContact O-N 3.09Å; C22-L25 PolarHBondContact O-N 3.36Å; C22-K26 VanDerWaalsContact O-CG 3.31Å; C22-K26 WeakPolarHBondContact O-CG 3.38Å; C22-K26 PolarHBondContact O-N 3.17Å; C22-K26 VanDerWaalsContact O-N 3.11Å
23D94.8Very high94Very high58 Ų5855.2 Ų55.231%0.3130%0.296SS..Hα-helixtrans-66.7-42.8179.5-69.2-15.4000109.9K19 D20 I21 L25 K26 E27K19-D23 WeakPolarHBondContact CE-OD2 3.31Å; K19-D23 WeakPolarHBondContact O-CB 3.3Å; K19-D23 PolarHBondContact O-N 2.74Å; D20-D23 PolarHBondContact O-N 2.69Å; I21-D23 PolarHBondContact O-N 3.07Å; D23-L25 PolarHBondContact O-N 3.48Å; D23-K26 PolarHBondContact O-N 3.46Å; D23-E27 WeakPolarHBondContact O-CG 3.4Å; D23-E27 PolarHBondContact O-N 3.1Å
24S94.6Very high94.3Very high30 Ų3055.1 Ų55.121%0.2130%0.296CS..Hα-helixtrans-63.8-37.7176.1-54.60000113.2D20 I21 N28 S29 V30D20-S24 VanDerWaalsContact O-CB 3.3Å; D20-S24 WeakPolarHBondContact O-CB 3.45Å; D20-S24 PolarHBondContact O-N 2.94Å; D20-S24 PolarHBondContact O-OG 2.95Å; I21-S24 PolarHBondContact O-N 3.45Å; S24-N28 PolarHBondContact O-N 3.47Å; S24-S29 PolarHBondContact O-N 3.4Å; S24-S29 PolarHBondContact O-OG 3.04Å; S24-S29 VanDerWaalsContact O-OG 3.04Å; S24-V30 VanDerWaalsContact CB-CG2 3.43Å
25L94.5Very high94.4Very high0 Ų052.6 Ų52.60%028%0.278CS..Hα-helixtrans-64.3-41.7175.1-75.4168.3000111.8I21 C22 D23 N28 V30 L33 V52 S55 L58I21-L25 HydrophobicContact CG2-CD1 3.84Å; I21-L25 HydrophobicContact CG2-CG 4.4Å; I21-L25 WeakPolarHBondContact O-CB 3.39Å; I21-L25 VanDerWaalsContact O-CG 3.25Å; I21-L25 WeakPolarHBondContact O-CG 3.25Å; I21-L25 PolarHBondContact O-N 3.39Å; C22-L25 PolarHBondContact O-N 3.36Å; D23-L25 PolarHBondContact O-N 3.48Å; L25-N28 PolarHBondContact O-N 3.46Å; L25-V30 HydrophobicContact CD2-CB 4.43Å; L25-L33 HydrophobicContact CD1-CD2 3.99Å; L25-L33 HydrophobicContact CD2-CD2 4.23Å; L25-V52 HydrophobicContact CD1-CG2 4.05Å; L25-S55 WeakPolarHBondContact O-CB 3.4Å; L25-S55 PolarHBondContact O-OG 3.1Å; L25-L58 HydrophobicContact CD2-CD1 4.22Å; L25-L58 HydrophobicContact CD2-CD2 4.03Å
26K93.1Very high94.5Very high107 Ų10755 Ų5547%0.46527%0.272SS..Hα-helixtrans-69-38.1178.1-74.1174.4179.2178.50113.1C22 D23 N28 E54C22-K26 VanDerWaalsContact O-CG 3.31Å; C22-K26 WeakPolarHBondContact O-CG 3.38Å; C22-K26 PolarHBondContact O-N 3.17Å; C22-K26 VanDerWaalsContact O-N 3.11Å; D23-K26 PolarHBondContact O-N 3.46Å; K26-N28 PolarHBondContact O-N 2.95Å; K26-N28 PolarHBondContact O-ND2 3.16Å; K26-E54 VanDerWaalsContact CE-OE2 3.24Å; K26-E54 WeakPolarHBondContact CE-OE2 3.23Å; K26-E54 WeakPolarHBondContact CG-OE2 3.42Å
27E93.6Very high94.5Very high148 Ų14853 Ų5369%0.69226%0.258SS*.THydrogen-bonded Turntrans-71-4.9175.4-71.6178.6179.800112.7D23 S29D23-E27 WeakPolarHBondContact O-CG 3.4Å; D23-E27 PolarHBondContact O-N 3.1Å; E27-S29 PolarHBondContact O-N 3.16Å
28N92.3Very high94.5Very high65 Ų6550.2 Ų50.235%0.34825%0.246SC..THydrogen-bonded Turntrans55.330.7-175.9-56.8-69.8000112.5S24 L25 K26 H56 S57S24-N28 PolarHBondContact O-N 3.47Å; L25-N28 PolarHBondContact O-N 3.46Å; K26-N28 PolarHBondContact O-N 2.95Å; K26-N28 PolarHBondContact O-ND2 3.16Å; N28-H56 PolarHBondContact OD1-N 3Å; N28-S57 WeakPolarHBondContact CA-OG 3.33Å; N28-S57 WeakPolarHBondContact O-CB 3.28Å; N28-S57 PolarHBondContact O-OG 3.23Å; N28-S57 VanDerWaalsContact O-OG 3.07Å
29S90.9Very high94.3Very high60 Ų6056.3 Ų56.342%0.4227%0.274SS..  trans-85-16.2178.464.20000111.9G4 S24 E27G4-S29 WeakPolarHBondContact CA-O 3.44Å; S24-S29 PolarHBondContact O-N 3.4Å; S24-S29 PolarHBondContact O-OG 3.04Å; S24-S29 VanDerWaalsContact O-OG 3.04Å; E27-S29 PolarHBondContact O-N 3.16Å
30V94Very high94.3Very high3 Ų351.1 Ų51.12%0.01825%0.252CS..  trans-102.9128.1-175.9-172.20000111.4G4 I6 S24 L25 L32 L33 S57 L58G4-V30 CarbonylContact O-C 3.42Å; G4-V30 WeakPolarHBondContact O-CA 3.49Å; I6-V30 HydrophobicContact CD1-CG1 4.43Å; I6-V30 HydrophobicContact CD1-CG2 3.55Å; I6-V30 HydrophobicContact CG1-CG1 4.28Å; I6-V30 HydrophobicContact CG1-CG2 4Å; S24-V30 VanDerWaalsContact CB-CG2 3.43Å; L25-V30 HydrophobicContact CD2-CB 4.43Å; V30-L32 WeakPolarHBondContact CG1-O 3.4Å; V30-L33 HydrophobicContact CG1-CB 4.33Å; V30-S57 CarbonylContact O-C 3.48Å; V30-S57 WeakPolarHBondContact O-CB 3.43Å; V30-S57 PolarHBondContact O-OG 2.79Å; V30-L58 HydrophobicContact CG1-CD1 4.05Å; V30-L58 PolarHBondContact O-N 3.42Å
31R95.5Very high94.3Very high179 Ų17949 Ų4968%0.67525%0.245SC*.SBendtrans-103-29.5170.1-66.1-171.6176.5-148.7-0.3113G4 S57 A59 Q60G4-R31 PolarHBondContact O-N 3.14Å; R31-S57 WeakPolarHBondContact CA-O 3.47Å; R31-A59 PolarHBondContact O-N 3.16Å; R31-Q60 PolarHBondContact O-N 3.49Å
32L96.8Very high94.2Very high31 Ų3151.6 Ų51.616%0.16226%0.259CS..EExtended strand (participates in β ladder)trans-130122.1178.3-175.9162.3000109.4G4 S5 I6 Q7 V30 Q60G4-L32 PolarHBondContact O-N 3.16Å; S5-L32 CarbonylContact C-O 3.55Å; S5-L32 WeakPolarHBondContact CA-O 3.33Å; I6-L32 PolarHBondContact N-O 3.44Å; Q7-L32 HydrophobicContact CG-CD2 3.51Å; V30-L32 WeakPolarHBondContact CG1-O 3.4Å; L32-Q60 WeakPolarHBondContact CA-O 3.4Å; L32-Q60 HydrophobicContact CB-CB 4.33Å; L32-Q60 HydrophobicContact CD1-CB 4.43Å; L32-Q60 HydrophobicContact CD1-CG 4.31Å; L32-Q60 HydrophobicContact CG-CB 4.05Å; L32-Q60 HydrophobicContact CG-CG 4.08Å
33L96.6Very high94.2Very high0 Ų059.5 Ų59.50%029%0.287CS..EExtended strand (participates in β ladder)trans-117.1120.2171177.361.6000109.3I6 I21 L25 V30 I35 V48 V52 L58 Q60 L61 N62I6-L33 HydrophobicContact CB-CD1 3.93Å; I6-L33 HydrophobicContact CG2-CD1 3.93Å; I6-L33 CarbonylContact O-C 3.54Å; I6-L33 WeakPolarHBondContact O-CA 3.39Å; I21-L33 HydrophobicContact CG2-CD1 3.96Å; I21-L33 HydrophobicContact CG2-CD2 4.02Å; L25-L33 HydrophobicContact CD1-CD2 3.99Å; L25-L33 HydrophobicContact CD2-CD2 4.23Å; V30-L33 HydrophobicContact CG1-CB 4.33Å; L33-I35 HydrophobicContact CD1-CG2 4.06Å; L33-V48 HydrophobicContact CD2-CG1 4.11Å; L33-V52 HydrophobicContact CD2-CG2 4.4Å; L33-L58 HydrophobicContact CB-CD1 3.72Å; L33-Q60 PolarHBondContact N-O 2.84Å; L33-L61 HydrophobicContact CB-CD1 4.21Å; L33-L61 HydrophobicContact CD2-CD1 4.02Å; L33-L61 HydrophobicContact CG-CD1 4.2Å; L33-L61 WeakPolarHBondContact O-CA 3.43Å; L33-N62 PolarHBondContact O-N 2.99Å
34S96.7Very high94.2Very high6 Ų657.9 Ų57.94%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-121.9124.1170.1-1760000109.8I6 Q7 I8 N62I6-S34 PolarHBondContact O-N 3.1Å; Q7-S34 WeakPolarHBondContact CA-O 3.27Å; I8-S34 PolarHBondContact N-O 3Å; S34-N62 WeakPolarHBondContact CA-O 3.42Å
35I95.2Very high94.3Very high0 Ų056.5 Ų56.50%027%0.268CS..EExtended strand (participates in β ladder)trans-12535.2173.155.1169.5000110.3I8 L13 I21 L33 G37 C38 V48 N62 M63 V67I8-I35 CarbonylContact O-C 3.59Å; I8-I35 WeakPolarHBondContact O-CA 3.41Å; L13-I35 HydrophobicContact CD1-CB 4.34Å; L13-I35 HydrophobicContact CD1-CG2 4.02Å; I21-I35 HydrophobicContact CD1-CG2 4.33Å; L33-I35 HydrophobicContact CD1-CG2 4.06Å; I35-G37 PolarHBondContact O-N 2.92Å; I35-C38 HydrophobicContact CB-CB 4.28Å; I35-C38 WeakPolarHBondContact O-CB 3.31Å; I35-C38 PolarHBondContact O-N 2.99Å; I35-C38 VanDerWaalsContact O-N 3.13Å; I35-C38 PolarHBondContact O-SG 2.99Å; I35-V48 HydrophobicContact CD1-CG1 4.47Å; I35-N62 PolarHBondContact N-O 3.24Å; I35-M63 HydrophobicContact CD1-CE 4.18Å; I35-M63 HydrophobicContact CD1-CG 4.29Å; I35-M63 HydrophobicContact CG1-CG 4.16Å; I35-V67 HydrophobicContact CD1-CG1 3.79Å; I35-V67 HydrophobicContact CG1-CG1 4.19Å; I35-V67 WeakPolarHBondContact O-CG2 3.35Å
36R94.1Very high94.4Very high99 Ų9956.7 Ų56.737%0.37427%0.271SS..EExtended strand (participates in β ladder)trans-52.7128.9-174.2174.3174.6-179.9-103.77.6111.7I8 T9 G10 C38 N64 L65I8-R36 PolarHBondContact O-N 3.48Å; T9-R36 CarbonylContact C-O 3.47Å; T9-R36 WeakPolarHBondContact CA-O 3.47Å; T9-R36 HydrophobicContact CG2-CB 4.37Å; T9-R36 HydrophobicContact CG2-CG 4.28Å; G10-R36 PolarHBondContact N-O 3.37Å; R36-C38 PolarHBondContact O-N 3.22Å; R36-N64 CarbonylContact C-O 3.51Å; R36-N64 WeakPolarHBondContact CA-O 3.28Å; R36-N64 HydrophobicContact CG-CB 3.96Å; R36-L65 HydrophobicContact CG-CB 4.41Å; R36-L65 HydrophobicContact CG-CD1 3.95Å; R36-L65 HydrophobicContact CG-CG 4.07Å
37G92.8Very high94.6Very high22 Ų2256.5 Ų56.523%0.22727%0.267CS..THydrogen-bonded Turntrans62.910.1176.200000114.9G10 I35 N64 L65G10-G37 WeakPolarHBondContact CA-O 3.3Å; I35-G37 PolarHBondContact O-N 2.92Å; G37-N64 PolarHBondContact N-O 3.14Å; G37-L65 WeakPolarHBondContact CA-O 3.14Å
38C93.8Very high94.8Very high6 Ų649.4 Ų49.44%0.04123%0.234CC..  trans-76.7145-176.5-670000111.3E11 L13 I35 R36E11-C38 CarbonylContact O-C 3.3Å; E11-C38 WeakPolarHBondContact O-CA 3.47Å; E11-C38 WeakPolarHBondContact O-CB 3.42Å; L13-C38 HydrophobicContact CD1-CB 3.88Å; L13-C38 HydrophobicContact CG-CB 3.97Å; I35-C38 HydrophobicContact CB-CB 4.28Å; I35-C38 WeakPolarHBondContact O-CB 3.31Å; I35-C38 PolarHBondContact O-N 2.99Å; I35-C38 VanDerWaalsContact O-N 3.13Å; I35-C38 PolarHBondContact O-SG 2.99Å; R36-C38 PolarHBondContact O-N 3.22Å
39Q92.5Very high95.1Very high130 Ų13046.5 Ų46.561%0.60722%0.218SC*.BIsolated β-bridgetrans-95.2124.7173.9-60.5-173.813.100110E11 T12 L13E11-Q39 PolarHBondContact O-N 3.19Å; T12-Q39 WeakPolarHBondContact CA-O 3.44Å; T12-Q39 HydrophobicContact CG2-CB 4.41Å; L13-Q39 PolarHBondContact N-O 3.23Å
40L94.1Very high95.4Very high16 Ų1651.9 Ų51.98%0.08423%0.23CC..  trans-148.8155.717668.5172000110.2L13 I18 D44 F45 V67 R73L13-L40 HydrophobicContact CD1-CD1 4.42Å; I18-L40 HydrophobicContact CD1-CB 4.47Å; I18-L40 HydrophobicContact CD1-CD1 3.97Å; L40-D44 HydrophobicContact CB-CB 4.43Å; L40-F45 HydrophobicContact CD1-CB 3.86Å; L40-F45 HydrophobicContact CD1-CD2 4.19Å; L40-F45 HydrophobicContact CD2-CD2 4.46Å; L40-F45 HydrophobicContact CG-CB 4.11Å; L40-V67 HydrophobicContact CD2-CG1 4.06Å; L40-R73 PolarHBondContact O-NH2 2.82Å
41S93.7Very high95.5Very high52 Ų5251.8 Ų51.836%0.36423%0.229SC..  trans-70.5155.4175.279.40000111R43 D44 F45S41-R43 PolarHBondContact O-N 3.24Å; S41-R43 PolarHBondContact OG-N 3.26Å; S41-D44 PolarHBondContact O-N 2.97Å; S41-D44 VanDerWaalsContact OG-CG 3.29Å; S41-D44 PolarHBondContact OG-N 3.27Å; S41-D44 VanDerWaalsContact OG-N 3.1Å; S41-D44 PolarHBondContact OG-OD2 2.93Å; S41-F45 PolarHBondContact O-N 2.86Å
42D93.6Very high95.6Very high57 Ų5743.3 Ų43.331%0.30520%0.197SC..Hα-helixtrans-59-30.4175.1-77.717.8000112.1G46 R73D42-G46 PolarHBondContact O-N 3.24Å; D42-R73 IonicContact OD1-CZ 3.42Å; D42-R73 VanDerWaalsContact OD1-CZ 3.29Å; D42-R73 IonicContact OD1-NE 3.74Å; D42-R73 PolarHBondContact OD1-NE 3.17Å; D42-R73 IonicContact OD1-NH2 3.98Å; D42-R73 PolarHBondContact OD1-NH2 2.85Å
43R94.9Very high95.6Very high180 Ų18043.1 Ų43.168%0.67920%0.2SC*.Hα-helixtrans-65.4-44.9174.6-177.2-176.4-178.2-173.12.1111.4S41 G46 R47S41-R43 PolarHBondContact O-N 3.24Å; S41-R43 PolarHBondContact OG-N 3.26Å; R43-G46 PolarHBondContact O-N 2.99Å; R43-R47 WeakPolarHBondContact O-CG 3.49Å; R43-R47 PolarHBondContact O-N 2.81Å; R43-R47 VanDerWaalsContact O-N 3.1Å
44D95.4Very high95.5Very high25 Ų2547.9 Ų47.913%0.13422%0.223CC..Hα-helixtrans-73.9-36.7-179.7-64.8-45.6000111.5I18 L40 S41 G46 R47 V48I18-D44 HydrophobicContact CD1-CB 4.17Å; I18-D44 HydrophobicContact CG1-CB 4.04Å; I18-D44 HydrophobicContact CG2-CB 4.07Å; L40-D44 HydrophobicContact CB-CB 4.43Å; S41-D44 PolarHBondContact O-N 2.97Å; S41-D44 VanDerWaalsContact OG-CG 3.29Å; S41-D44 PolarHBondContact OG-N 3.27Å; S41-D44 VanDerWaalsContact OG-N 3.1Å; S41-D44 PolarHBondContact OG-OD2 2.93Å; D44-G46 VanDerWaalsContact C-N 3.3Å; D44-G46 PolarHBondContact O-N 3.45Å; D44-R47 WeakPolarHBondContact O-CB 3.26Å; D44-R47 PolarHBondContact O-N 2.95Å; D44-R47 IonicContact OD1-CZ 3.52Å; D44-R47 IonicContact OD1-NH1 3.88Å; D44-R47 PolarHBondContact OD1-NH1 3.4Å; D44-V48 WeakPolarHBondContact O-CG2 3.43Å; D44-V48 PolarHBondContact O-N 2.9Å
45F96.8Very high95.4Very high0 Ų047.7 Ų47.70%022%0.221CC..Hα-helixtrans-56.3-46.9168.5-176.1-89.2000111L40 S41 R47 V48 C49 M63 V67 V68 R73 H76 L77L40-F45 HydrophobicContact CD1-CB 3.86Å; L40-F45 HydrophobicContact CD1-CD2 4.19Å; L40-F45 HydrophobicContact CD2-CD2 4.46Å; L40-F45 HydrophobicContact CG-CB 4.11Å; S41-F45 PolarHBondContact O-N 2.86Å; F45-R47 VanDerWaalsContact C-N 3.26Å; F45-R47 PolarHBondContact O-N 3.28Å; F45-V48 PolarHBondContact O-N 3.11Å; F45-C49 WeakPolarHBondContact CE1-SG 3.39Å; F45-C49 PolarHBondContact O-N 2.72Å; F45-M63 HydrophobicContact CE2-CE 4Å; F45-M63 HydrophobicContact CE2-SD 3.74Å; F45-M63 HydrophobicContact CZ-CE 4.22Å; F45-M63 HydrophobicContact CZ-SD 3.89Å; F45-V67 HydrophobicContact CD2-CG1 4.06Å; F45-V67 HydrophobicContact CE2-CG1 3.84Å; F45-V68 HydrophobicContact CE2-CG2 4.23Å; F45-V68 HydrophobicContact CZ-CG2 4.09Å; F45-R73 HydrophobicContact CB-CG 4.4Å; F45-R73 HydrophobicContact CD1-CB 3.73Å; F45-R73 HydrophobicContact CD1-CG 3.62Å; F45-R73 HydrophobicContact CD2-CG 4.4Å; F45-R73 HydrophobicContact CE1-CB 3.52Å; F45-R73 HydrophobicContact CE1-CG 3.98Å; F45-R73 WeakPolarHBondContact CE1-O 3.43Å; F45-R73 HydrophobicContact CE2-CB 4.48Å; F45-R73 HydrophobicContact CG-CB 4.31Å; F45-R73 HydrophobicContact CG-CG 3.86Å; F45-R73 HydrophobicContact CZ-CB 3.93Å; F45-R73 HydrophobicContact CZ-CG 4.5Å; F45-H76 HydrophobicContact CD1-CB 3.98Å; F45-H76 HydrophobicContact CE1-CB 3.81Å; F45-L77 HydrophobicContact CZ-CB 4.41Å
46G96.9Very high95.3Very high5 Ų554.6 Ų54.65%0.05225%0.253CS..Hα-helixtrans-60-32174.800000113.7D42 R43 D44 R50D42-G46 PolarHBondContact O-N 3.24Å; R43-G46 PolarHBondContact O-N 2.99Å; D44-G46 VanDerWaalsContact C-N 3.3Å; D44-G46 PolarHBondContact O-N 3.45Å; G46-R50 WeakPolarHBondContact O-CG 3.26Å; G46-R50 PolarHBondContact O-N 2.96Å; G46-R50 VanDerWaalsContact O-N 3.15Å
47R97.2Very high95.4Very high102 Ų10251.1 Ų51.139%0.38524%0.244SC..Hα-helixtrans-69.5-46.5174-71.8169.6168.8172.1-12.6111.6I18 R43 D44 F45 C49 R50 G51I18-R47 HydrophobicContact CG2-CB 4.34Å; R43-R47 WeakPolarHBondContact O-CG 3.49Å; R43-R47 PolarHBondContact O-N 2.81Å; R43-R47 VanDerWaalsContact O-N 3.1Å; D44-R47 WeakPolarHBondContact O-CB 3.26Å; D44-R47 PolarHBondContact O-N 2.95Å; D44-R47 IonicContact OD1-CZ 3.52Å; D44-R47 IonicContact OD1-NH1 3.88Å; D44-R47 PolarHBondContact OD1-NH1 3.4Å; F45-R47 VanDerWaalsContact C-N 3.26Å; F45-R47 PolarHBondContact O-N 3.28Å; R47-C49 VanDerWaalsContact C-N 3.32Å; R47-C49 PolarHBondContact O-N 3.26Å; R47-R50 WeakPolarHBondContact O-CB 3.46Å; R47-R50 PolarHBondContact O-N 3.2Å; R47-R50 VanDerWaalsContact O-N 3.13Å; R47-G51 PolarHBondContact O-N 2.98Å
48V97Very high95.6Very high0 Ų050.1 Ų50.10%023%0.234CC..Hα-helixtrans-58.3-46.4175.8175.50000110.1I18 I21 L33 I35 D44 F45 R50 G51 V52 M63I18-V48 HydrophobicContact CD1-CG2 3.82Å; I18-V48 HydrophobicContact CG2-CG2 4.24Å; I21-V48 HydrophobicContact CG2-CG1 4.41Å; I21-V48 HydrophobicContact CG2-CG2 4.45Å; L33-V48 HydrophobicContact CD2-CG1 4.11Å; I35-V48 HydrophobicContact CD1-CG1 4.47Å; D44-V48 WeakPolarHBondContact O-CG2 3.43Å; D44-V48 PolarHBondContact O-N 2.9Å; F45-V48 PolarHBondContact O-N 3.11Å; V48-R50 VanDerWaalsContact C-N 3.3Å; V48-R50 PolarHBondContact O-N 3.44Å; V48-G51 CarbonylContact O-C 3.59Å; V48-G51 WeakPolarHBondContact O-CA 3.39Å; V48-G51 PolarHBondContact O-N 3.33Å; V48-V52 HydrophobicContact CG1-CG2 4.39Å; V48-V52 WeakPolarHBondContact O-CG2 3.36Å; V48-V52 PolarHBondContact O-N 2.89Å; V48-M63 HydrophobicContact CG1-CE 4.44Å
49C97.7Very high95.7Very high3 Ų351.2 Ų51.22%0.0224%0.243CC..Hα-helixtrans-59.5-36.1176.3-740000113.4F45 R47 V52 A53 H76 A80F45-C49 WeakPolarHBondContact CE1-SG 3.39Å; F45-C49 PolarHBondContact O-N 2.72Å; R47-C49 VanDerWaalsContact C-N 3.32Å; R47-C49 PolarHBondContact O-N 3.26Å; C49-V52 PolarHBondContact O-N 2.8Å; C49-A53 WeakPolarHBondContact O-CB 3.48Å; C49-A53 PolarHBondContact O-N 3.48Å; C49-H76 HydrophobicContact CB-CB 4.11Å; C49-A80 HydrophobicContact CB-CB 4.07Å; C49-A80 WeakPolarHBondContact O-CB 3.27Å
50R97.3Very high95.9Very high173 Ų17347.8 Ų47.865%0.65323%0.227SC*.Hα-helixtrans-66.4-40.1172.5-71176.4-162-173.32.8112.1G46 R47 V48 V52 A53 E54G46-R50 WeakPolarHBondContact O-CG 3.26Å; G46-R50 PolarHBondContact O-N 2.96Å; G46-R50 VanDerWaalsContact O-N 3.15Å; R47-R50 WeakPolarHBondContact O-CB 3.46Å; R47-R50 PolarHBondContact O-N 3.2Å; R47-R50 VanDerWaalsContact O-N 3.13Å; V48-R50 VanDerWaalsContact C-N 3.3Å; V48-R50 PolarHBondContact O-N 3.44Å; R50-V52 VanDerWaalsContact C-N 3.31Å; R50-V52 PolarHBondContact O-N 3.25Å; R50-A53 WeakPolarHBondContact O-CB 3.44Å; R50-A53 PolarHBondContact O-N 3.19Å; R50-E54 PolarHBondContact O-N 3.24Å
51G96.7Very high96.1Very high1 Ų147 Ų471%0.0122%0.223CC..Hα-helixtrans-60.5-42.2172.100000112R47 V48 A53 E54 S55R47-G51 PolarHBondContact O-N 2.98Å; V48-G51 CarbonylContact O-C 3.59Å; V48-G51 WeakPolarHBondContact O-CA 3.39Å; V48-G51 PolarHBondContact O-N 3.33Å; G51-A53 VanDerWaalsContact C-N 3.35Å; G51-A53 PolarHBondContact O-N 3.29Å; G51-E54 PolarHBondContact O-N 3.21Å; G51-S55 PolarHBondContact O-N 3.49Å
52V97.1Very high96.3Very high1 Ų145.6 Ų45.61%0.00621%0.212CC..Hα-helixtrans-62.1-42.1176170.80000111.4L25 L33 V48 C49 R50 E54 S55 L58 L61 A80 N84 I87L25-V52 HydrophobicContact CD1-CG2 4.05Å; L33-V52 HydrophobicContact CD2-CG2 4.4Å; V48-V52 HydrophobicContact CG1-CG2 4.39Å; V48-V52 WeakPolarHBondContact O-CG2 3.36Å; V48-V52 PolarHBondContact O-N 2.89Å; C49-V52 PolarHBondContact O-N 2.8Å; R50-V52 VanDerWaalsContact C-N 3.31Å; R50-V52 PolarHBondContact O-N 3.25Å; V52-E54 VanDerWaalsContact C-N 3.25Å; V52-E54 PolarHBondContact O-N 3.16Å; V52-S55 PolarHBondContact O-N 3.45Å; V52-L58 HydrophobicContact CG1-CD2 4.14Å; V52-L58 HydrophobicContact CG2-CD2 4.09Å; V52-L61 HydrophobicContact CG1-CD2 4.14Å; V52-L61 HydrophobicContact CG2-CD1 4.44Å; V52-L61 HydrophobicContact CG2-CD2 4.44Å; V52-A80 HydrophobicContact CB-CB 4.4Å; V52-A80 HydrophobicContact CG1-CB 4.23Å; V52-N84 PolarHBondContact O-ND2 3.35Å; V52-I87 HydrophobicContact CG1-CD1 3.74Å
53A96.8Very high96.4Very high27 Ų2742.9 Ų42.922%0.22320%0.197CC..Hα-helixtrans-58.1-37.5176.500000112.7C49 R50 G51 A80 T83C49-A53 WeakPolarHBondContact O-CB 3.48Å; C49-A53 PolarHBondContact O-N 3.48Å; R50-A53 WeakPolarHBondContact O-CB 3.44Å; R50-A53 PolarHBondContact O-N 3.19Å; G51-A53 VanDerWaalsContact C-N 3.35Å; G51-A53 PolarHBondContact O-N 3.29Å; A53-A80 HydrophobicContact CB-CB 4.2Å; A53-T83 WeakPolarHBondContact CB-OG1 3.39Å
54E94.8Very high96.4Very high101 Ų10135.1 Ų35.147%0.47217%0.169SC..Hα-helixtrans-88.8-10.3-177.5-68174-168.300113.5K26 R50 G51 V52 H56K26-E54 VanDerWaalsContact CE-OE2 3.24Å; K26-E54 WeakPolarHBondContact CE-OE2 3.23Å; K26-E54 WeakPolarHBondContact CG-OE2 3.42Å; R50-E54 PolarHBondContact O-N 3.24Å; G51-E54 PolarHBondContact O-N 3.21Å; V52-E54 VanDerWaalsContact C-N 3.25Å; V52-E54 PolarHBondContact O-N 3.16Å; E54-H56 PolarHBondContact O-CE1 3.06Å; E54-H56 PolarHBondContact O-ND1 3.08Å
55S95.1Very high96.2Very high2 Ų237.5 Ų37.51%0.01418%0.181CC..  trans-80.8134.2-178.7-169.30000111.9L25 G51 V52 L58 N84 S86L25-S55 WeakPolarHBondContact O-CB 3.4Å; L25-S55 PolarHBondContact O-OG 3.1Å; G51-S55 PolarHBondContact O-N 3.49Å; V52-S55 PolarHBondContact O-N 3.45Å; S55-L58 WeakPolarHBondContact OG-CB 3.37Å; S55-L58 PolarHBondContact OG-N 2.85Å; S55-N84 PolarHBondContact O-ND2 2.65Å; S55-S86 PolarHBondContact O-OG 3.12Å
56H93.9Very high95.6Very high144 Ų14438.8 Ų38.867%0.66719%0.194SC*.SBendtrans-112.7-7.9179.2-55.880.5000112.5N28 E54 S86N28-H56 PolarHBondContact OD1-N 3Å; E54-H56 PolarHBondContact O-CE1 3.06Å; E54-H56 PolarHBondContact O-ND1 3.08Å; H56-S86 VanDerWaalsContact C-CB 3.46Å; H56-S86 WeakPolarHBondContact O-CB 3.28Å
57S94.9Very high95.3Very high27 Ų2738.5 Ų38.519%0.18919%0.192CC..SBendtrans-103.8-18.1179.657.90000113.6N28 V30 R31 A59N28-S57 WeakPolarHBondContact CA-OG 3.33Å; N28-S57 WeakPolarHBondContact O-CB 3.28Å; N28-S57 PolarHBondContact O-OG 3.23Å; N28-S57 VanDerWaalsContact O-OG 3.07Å; V30-S57 CarbonylContact O-C 3.48Å; V30-S57 WeakPolarHBondContact O-CB 3.43Å; V30-S57 PolarHBondContact O-OG 2.79Å; R31-S57 WeakPolarHBondContact CA-O 3.47Å; S57-A59 PolarHBondContact O-N 3Å; S57-A59 VanDerWaalsContact O-N 3.1Å
58L96.3Very high95.1Very high0 Ų033.7 Ų33.70%017%0.174CC..  trans-69.1108.6-174.5-173.270.7000110.1L25 V30 L33 V52 S55 Q60 L61 S86 I87L25-L58 HydrophobicContact CD2-CD1 4.22Å; L25-L58 HydrophobicContact CD2-CD2 4.03Å; V30-L58 HydrophobicContact CG1-CD1 4.05Å; V30-L58 PolarHBondContact O-N 3.42Å; L33-L58 HydrophobicContact CB-CD1 3.72Å; V52-L58 HydrophobicContact CG1-CD2 4.14Å; V52-L58 HydrophobicContact CG2-CD2 4.09Å; S55-L58 WeakPolarHBondContact OG-CB 3.37Å; S55-L58 PolarHBondContact OG-N 2.85Å; L58-Q60 WeakPolarHBondContact CD1-O 3.43Å; L58-L61 HydrophobicContact CD2-CB 4.33Å; L58-L61 HydrophobicContact CD2-CD1 4.43Å; L58-S86 PolarHBondContact N-OG 3.01Å; L58-S86 CarbonylContact O-C 3.33Å; L58-S86 WeakPolarHBondContact O-CB 3.21Å; L58-S86 PolarHBondContact O-OG 2.97Å; L58-I87 HydrophobicContact CD2-CD1 4.21Å; L58-I87 HydrophobicContact CD2-CG1 4.2Å; L58-I87 HydrophobicContact CG-CG1 4.33Å; L58-I87 WeakPolarHBondContact O-CA 3.46Å; L58-I87 PolarHBondContact O-N 2.97Å
59A96.5Very high94.8Very high30 Ų3036.1 Ų36.125%0.24819%0.191CC..  trans-92.5-34.9178.200000111.7R31 S57 Q88 T89R31-A59 PolarHBondContact O-N 3.16Å; S57-A59 PolarHBondContact O-N 3Å; S57-A59 VanDerWaalsContact O-N 3.1Å; A59-Q88 PolarHBondContact O-N 2.82Å; A59-T89 PolarHBondContact O-N 2.88Å
60Q97.6Very high94.5Very high58 Ų5838.4 Ų38.427%0.27121%0.205SC..EExtended strand (participates in β ladder)trans-127.3126.7-175.9-179.4175.6-33.500111.6R31 L32 L33 L58 T89 F91R31-Q60 PolarHBondContact O-N 3.49Å; L32-Q60 WeakPolarHBondContact CA-O 3.4Å; L32-Q60 HydrophobicContact CB-CB 4.33Å; L32-Q60 HydrophobicContact CD1-CB 4.43Å; L32-Q60 HydrophobicContact CD1-CG 4.31Å; L32-Q60 HydrophobicContact CG-CB 4.05Å; L32-Q60 HydrophobicContact CG-CG 4.08Å; L33-Q60 PolarHBondContact N-O 2.84Å; L58-Q60 WeakPolarHBondContact CD1-O 3.43Å; Q60-T89 WeakPolarHBondContact CA-O 3.43Å; Q60-T89 HydrophobicContact CG-CG2 4.31Å; Q60-F91 HydrophobicContact CG-CD2 4.25Å; Q60-F91 HydrophobicContact CG-CE2 3.81Å
61L97.7Very high94.3Very high0 Ų033.6 Ų33.60%019%0.191CC..EExtended strand (participates in β ladder)trans-121.7117.2175.4178.860000110L33 V52 L58 M63 L77 I87 T89 L90 F91L33-L61 HydrophobicContact CB-CD1 4.21Å; L33-L61 HydrophobicContact CD2-CD1 4.02Å; L33-L61 HydrophobicContact CG-CD1 4.2Å; L33-L61 WeakPolarHBondContact O-CA 3.43Å; V52-L61 HydrophobicContact CG1-CD2 4.14Å; V52-L61 HydrophobicContact CG2-CD1 4.44Å; V52-L61 HydrophobicContact CG2-CD2 4.44Å; L58-L61 HydrophobicContact CD2-CB 4.33Å; L58-L61 HydrophobicContact CD2-CD1 4.43Å; L61-M63 HydrophobicContact CD1-CE 3.85Å; L61-M63 HydrophobicContact CD1-CG 4.05Å; L61-M63 HydrophobicContact CD2-CE 3.98Å; L61-M63 HydrophobicContact CD2-SD 4.34Å; L61-M63 HydrophobicContact CG-CE 4.27Å; L61-M63 HydrophobicContact CG-CG 4.12Å; L61-L77 HydrophobicContact CD2-CD1 4Å; L61-I87 HydrophobicContact CB-CD1 4.34Å; L61-I87 HydrophobicContact CD2-CD1 4.1Å; L61-T89 PolarHBondContact N-O 3.03Å; L61-L90 HydrophobicContact CB-CD1 4.15Å; L61-L90 HydrophobicContact CD2-CD1 3.92Å; L61-L90 HydrophobicContact CG-CD1 4.08Å; L61-L90 WeakPolarHBondContact O-CA 3.49Å; L61-F91 PolarHBondContact O-N 2.95Å
62N97.4Very high94.2Very high22 Ų2237.5 Ų37.512%0.11821%0.212CC..EExtended strand (participates in β ladder)trans-113.4113.7176.3-175.3-23000110.5L33 S34 I35 N64 F91L33-N62 PolarHBondContact O-N 2.99Å; S34-N62 WeakPolarHBondContact CA-O 3.42Å; I35-N62 PolarHBondContact N-O 3.24Å; N62-N64 VanDerWaalsContact OD1-CB 3.29Å; N62-N64 WeakPolarHBondContact OD1-CB 3.45Å; N62-N64 PolarHBondContact OD1-N 2.88Å; N62-N64 PolarHBondContact OD1-OD1 2.94Å; N62-F91 HydrophobicContact CB-CB 4.22Å; N62-F91 HydrophobicContact CB-CD2 3.96Å; N62-F91 HydrophobicContact CB-CG 4.49Å
63M95.9Very high94.1Very high0 Ų038.6 Ų38.60%022%0.216CC..  trans-122.932.6176.5-63.8-171.8166.600111.1I35 F45 V48 L61 V67 V68 L77 F91 L92I35-M63 HydrophobicContact CD1-CE 4.18Å; I35-M63 HydrophobicContact CD1-CG 4.29Å; I35-M63 HydrophobicContact CG1-CG 4.16Å; F45-M63 HydrophobicContact CE2-CE 4Å; F45-M63 HydrophobicContact CE2-SD 3.74Å; F45-M63 HydrophobicContact CZ-CE 4.22Å; F45-M63 HydrophobicContact CZ-SD 3.89Å; V48-M63 HydrophobicContact CG1-CE 4.44Å; L61-M63 HydrophobicContact CD1-CE 3.85Å; L61-M63 HydrophobicContact CD1-CG 4.05Å; L61-M63 HydrophobicContact CD2-CE 3.98Å; L61-M63 HydrophobicContact CD2-SD 4.34Å; L61-M63 HydrophobicContact CG-CE 4.27Å; L61-M63 HydrophobicContact CG-CG 4.12Å; M63-V67 HydrophobicContact CB-CB 4.14Å; M63-V67 HydrophobicContact CB-CG1 4.21Å; M63-V67 HydrophobicContact CG-CG1 4.47Å; M63-V67 WeakPolarHBondContact O-CB 3.1Å; M63-V68 HydrophobicContact CB-CG2 3.91Å; M63-V68 HydrophobicContact SD-CG2 3.91Å; M63-L77 HydrophobicContact CE-CD1 4.47Å; M63-L77 HydrophobicContact SD-CD1 4.15Å; M63-L77 HydrophobicContact SD-CD2 4.45Å; M63-F91 PolarHBondContact N-O 2.93Å; M63-L92 HydrophobicContact CB-CD2 4.12Å
64N95.4Very high94.1Very high16 Ų1637.5 Ų37.59%0.08621%0.206CC..THydrogen-bonded Turntrans-62.3160.6-179.7-71.11.9000112.4R36 G37 N62 V67 F91 L92 H93R36-N64 CarbonylContact C-O 3.51Å; R36-N64 WeakPolarHBondContact CA-O 3.28Å; R36-N64 HydrophobicContact CG-CB 3.96Å; G37-N64 PolarHBondContact N-O 3.14Å; N62-N64 VanDerWaalsContact OD1-CB 3.29Å; N62-N64 WeakPolarHBondContact OD1-CB 3.45Å; N62-N64 PolarHBondContact OD1-N 2.88Å; N62-N64 PolarHBondContact OD1-OD1 2.94Å; N64-V67 WeakPolarHBondContact O-CG2 3.42Å; N64-F91 WeakPolarHBondContact OD1-CA 3.45Å; N64-F91 WeakPolarHBondContact OD1-CB 3.46Å; N64-F91 PolarHBondContact OD1-O 2.72Å; N64-L92 PolarHBondContact OD1-N 2.91Å; N64-L92 VanDerWaalsContact OD1-N 3.11Å; N64-H93 CarbonylContact C-O 3.56Å; N64-H93 VanDerWaalsContact CA-O 3.24Å; N64-H93 WeakPolarHBondContact CA-O 3.44Å; N64-H93 HydrophobicContact CB-CB 4.26Å; N64-H93 WeakPolarHBondContact ND2-CB 3.41Å; N64-H93 PolarHBondContact OD1-N 3.39Å
65L91.9Very high94.2Very high75 Ų7537.6 Ų37.639%0.39321%0.205SC..THydrogen-bonded Turntrans61.973.2174.8-55.2-176.1000113.3R36 G37 V67 H93R36-L65 HydrophobicContact CG-CB 4.41Å; R36-L65 HydrophobicContact CG-CD1 3.95Å; R36-L65 HydrophobicContact CG-CG 4.07Å; G37-L65 WeakPolarHBondContact CA-O 3.14Å; L65-V67 PolarHBondContact O-N 3.11Å; L65-H93 PolarHBondContact N-O 2.64Å
66G84.2Confident94.3Very high27 Ų2740.7 Ų40.728%0.27822%0.219SC..THydrogen-bonded Turntrans70.36.3165.300000116.3V68 S69 G94G66-V68 VanDerWaalsContact C-N 3.32Å; G66-S69 WeakPolarHBondContact O-CB 3.42Å; G66-S69 PolarHBondContact O-OG 3.02Å; G66-G94 PolarHBondContact N-O 3.07Å
67V90.6Very high94.4Very high0 Ų033.9 Ų33.90%019%0.188CC..THydrogen-bonded Turntrans-64.6-42175-176.20000109.5I35 L40 F45 M63 N64 L65 S69 R73I35-V67 HydrophobicContact CD1-CG1 3.79Å; I35-V67 HydrophobicContact CG1-CG1 4.19Å; I35-V67 WeakPolarHBondContact O-CG2 3.35Å; L40-V67 HydrophobicContact CD2-CG1 4.06Å; F45-V67 HydrophobicContact CD2-CG1 4.06Å; F45-V67 HydrophobicContact CE2-CG1 3.84Å; M63-V67 HydrophobicContact CB-CB 4.14Å; M63-V67 HydrophobicContact CB-CG1 4.21Å; M63-V67 HydrophobicContact CG-CG1 4.47Å; M63-V67 WeakPolarHBondContact O-CB 3.1Å; N64-V67 WeakPolarHBondContact O-CG2 3.42Å; L65-V67 PolarHBondContact O-N 3.11Å; V67-S69 PolarHBondContact O-N 2.59Å; V67-R73 WeakPolarHBondContact O-CD 3.35Å; V67-R73 PolarHBondContact O-NH1 3.32Å
68V92.9Very high94.5Very high0 Ų032.6 Ų32.60%018%0.179CC..THydrogen-bonded Turntrans-96.459.3175.9-165.10000110.3F45 M63 G66 R73 L77 L92 L97F45-V68 HydrophobicContact CE2-CG2 4.23Å; F45-V68 HydrophobicContact CZ-CG2 4.09Å; M63-V68 HydrophobicContact CB-CG2 3.91Å; M63-V68 HydrophobicContact SD-CG2 3.91Å; G66-V68 VanDerWaalsContact C-N 3.32Å; V68-R73 HydrophobicContact CG1-CB 4.25Å; V68-L77 HydrophobicContact CG1-CD2 4.46Å; V68-L77 HydrophobicContact CG2-CD2 4.17Å; V68-L92 HydrophobicContact CG2-CD2 3.79Å; V68-L97 HydrophobicContact CB-CD2 4.47Å; V68-L97 HydrophobicContact CG1-CD2 3.93Å
69S89.1Confident94.5Very high51 Ų5136.7 Ų36.736%0.35720%0.201SC..  trans-89-8-172.341.30000116G66 V67G66-S69 WeakPolarHBondContact O-CB 3.42Å; G66-S69 PolarHBondContact O-OG 3.02Å; V67-S69 PolarHBondContact O-N 2.59Å
70T92.6Very high94.6Very high51 Ų5135.4 Ų35.431%0.31319%0.19SC..SBendtrans-131.1152.2-178.677.30000111.3N72 R73 T74T70-N72 PolarHBondContact O-N 3.11Å; T70-N72 VanDerWaalsContact O-N 3.13Å; T70-R73 WeakPolarHBondContact O-CA 3.18Å; T70-R73 WeakPolarHBondContact O-CB 3.19Å; T70-R73 PolarHBondContact O-N 2.95Å; T70-R73 WeakPolarHBondContact OG1-CG 2.99Å; T70-R73 PolarHBondContact OG1-N 3Å; T70-T74 PolarHBondContact O-N 2.77Å; T70-T74 PolarHBondContact O-OG1 2.93Å; T70-T74 VanDerWaalsContact O-OG1 3.06Å
71I92.6Very high94.5Very high73 Ų7332.7 Ų32.737%0.37418%0.178SC..Hα-helixtrans-58.4-29177-163.962.5000112.7T74 K75I71-T74 PolarHBondContact O-N 3.39Å; I71-K75 VanDerWaalsContact O-CG 3.3Å; I71-K75 WeakPolarHBondContact O-CG 3.43Å; I71-K75 PolarHBondContact O-N 2.75Å
72N94.5Very high94.3Very high83 Ų8337 Ų3744%0.44420%0.196SC..Hα-helixtrans-68.4-41.1176-71.7-19.2000111.2T70 K75 H76T70-N72 PolarHBondContact O-N 3.11Å; T70-N72 VanDerWaalsContact O-N 3.13Å; N72-K75 PolarHBondContact O-N 2.86Å; N72-H76 PolarHBondContact O-CD2 3.42Å; N72-H76 VanDerWaalsContact O-CD2 3.24Å; N72-H76 PolarHBondContact O-N 2.72Å
73R95.9Very high94.2Very high24 Ų2439.8 Ų39.89%0.09121%0.214CC..Hα-helixtrans-65.4-42.2172.4-66.4-173.6-171.4-164.3-2.7111.3L40 D42 F45 V67 V68 T70 K75 H76 L77L40-R73 PolarHBondContact O-NH2 2.82Å; D42-R73 IonicContact OD1-CZ 3.42Å; D42-R73 VanDerWaalsContact OD1-CZ 3.29Å; D42-R73 IonicContact OD1-NE 3.74Å; D42-R73 PolarHBondContact OD1-NE 3.17Å; D42-R73 IonicContact OD1-NH2 3.98Å; D42-R73 PolarHBondContact OD1-NH2 2.85Å; F45-R73 HydrophobicContact CB-CG 4.4Å; F45-R73 HydrophobicContact CD1-CB 3.73Å; F45-R73 HydrophobicContact CD1-CG 3.62Å; F45-R73 HydrophobicContact CD2-CG 4.4Å; F45-R73 HydrophobicContact CE1-CB 3.52Å; F45-R73 HydrophobicContact CE1-CG 3.98Å; F45-R73 WeakPolarHBondContact CE1-O 3.43Å; F45-R73 HydrophobicContact CE2-CB 4.48Å; F45-R73 HydrophobicContact CG-CB 4.31Å; F45-R73 HydrophobicContact CG-CG 3.86Å; F45-R73 HydrophobicContact CZ-CB 3.93Å; F45-R73 HydrophobicContact CZ-CG 4.5Å; V67-R73 WeakPolarHBondContact O-CD 3.35Å; V67-R73 PolarHBondContact O-NH1 3.32Å; V68-R73 HydrophobicContact CG1-CB 4.25Å; T70-R73 WeakPolarHBondContact O-CA 3.18Å; T70-R73 WeakPolarHBondContact O-CB 3.19Å; T70-R73 PolarHBondContact O-N 2.95Å; T70-R73 WeakPolarHBondContact OG1-CG 2.99Å; T70-R73 PolarHBondContact OG1-N 3Å; R73-K75 VanDerWaalsContact C-N 3.27Å; R73-K75 PolarHBondContact O-N 3.4Å; R73-H76 PolarHBondContact O-N 3.01Å; R73-H76 VanDerWaalsContact O-N 3.15Å; R73-L77 PolarHBondContact O-N 3.41Å
74T96.4Very high94.2Very high3 Ų339.8 Ų39.82%0.01821%0.214CC..Hα-helixtrans-57.9-40.7174.6-45.60000112.1T70 I71 L77 A78 L97 G101 T104 L105T70-T74 PolarHBondContact O-N 2.77Å; T70-T74 PolarHBondContact O-OG1 2.93Å; T70-T74 VanDerWaalsContact O-OG1 3.06Å; I71-T74 PolarHBondContact O-N 3.39Å; T74-L77 PolarHBondContact O-N 2.94Å; T74-A78 WeakPolarHBondContact O-CB 3.48Å; T74-A78 PolarHBondContact O-N 3.43Å; T74-L97 HydrophobicContact CG2-CD2 4.15Å; T74-G101 VanDerWaalsContact CG2-O 3.26Å; T74-G101 WeakPolarHBondContact CG2-O 3.4Å; T74-T104 HydrophobicContact CG2-CG2 4.35Å; T74-L105 HydrophobicContact CG2-CD1 3.96Å; T74-L105 HydrophobicContact CG2-CD2 3.94Å; T74-L105 HydrophobicContact CG2-CG 3.55Å
75K96.1Very high94.1Very high103 Ų10345.6 Ų45.645%0.44824%0.235SC..Hα-helixtrans-63.6-46.6173.8-73.9171.2-177.3175.10112.5I71 N72 R73 L77 A78 D79 T104I71-K75 VanDerWaalsContact O-CG 3.3Å; I71-K75 WeakPolarHBondContact O-CG 3.43Å; I71-K75 PolarHBondContact O-N 2.75Å; N72-K75 PolarHBondContact O-N 2.86Å; R73-K75 VanDerWaalsContact C-N 3.27Å; R73-K75 PolarHBondContact O-N 3.4Å; K75-L77 VanDerWaalsContact C-N 3.29Å; K75-L77 PolarHBondContact O-N 3.43Å; K75-A78 PolarHBondContact O-N 3.31Å; K75-D79 PolarHBondContact O-N 3.32Å; K75-T104 HydrophobicContact CB-CG2 4.44Å; K75-T104 HydrophobicContact CG-CG2 3.72Å
76H97.1Very high94.3Very high68 Ų6842.8 Ų42.832%0.31522%0.221SC..Hα-helixtrans-58.3-42.2176.4-79.5-51.2000112.3F45 C49 N72 R73 A80F45-H76 HydrophobicContact CD1-CB 3.98Å; F45-H76 HydrophobicContact CE1-CB 3.81Å; C49-H76 HydrophobicContact CB-CB 4.11Å; N72-H76 PolarHBondContact O-CD2 3.42Å; N72-H76 VanDerWaalsContact O-CD2 3.24Å; N72-H76 PolarHBondContact O-N 2.72Å; R73-H76 PolarHBondContact O-N 3.01Å; R73-H76 VanDerWaalsContact O-N 3.15Å; H76-A80 PolarHBondContact O-N 2.79Å; H76-A80 VanDerWaalsContact O-N 3.11Å
77L97.5Very high94.9Very high0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-66.2-45.7175.3179.461.3000111.5F45 L61 M63 V68 R73 T74 K75 D79 A80 L81 L92 L105F45-L77 HydrophobicContact CZ-CB 4.41Å; L61-L77 HydrophobicContact CD2-CD1 4Å; M63-L77 HydrophobicContact CE-CD1 4.47Å; M63-L77 HydrophobicContact SD-CD1 4.15Å; M63-L77 HydrophobicContact SD-CD2 4.45Å; V68-L77 HydrophobicContact CG1-CD2 4.46Å; V68-L77 HydrophobicContact CG2-CD2 4.17Å; R73-L77 PolarHBondContact O-N 3.41Å; T74-L77 PolarHBondContact O-N 2.94Å; K75-L77 VanDerWaalsContact C-N 3.29Å; K75-L77 PolarHBondContact O-N 3.43Å; L77-D79 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 3.11Å; L77-A80 WeakPolarHBondContact O-CB 3.14Å; L77-A80 PolarHBondContact O-N 3.43Å; L77-L81 HydrophobicContact CD1-CD1 4.03Å; L77-L81 HydrophobicContact CD1-CG 4.05Å; L77-L81 HydrophobicContact CD2-CD1 4.49Å; L77-L81 HydrophobicContact CG-CD1 3.87Å; L77-L81 HydrophobicContact CG-CG 4.32Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.18Å; L77-L92 HydrophobicContact CD2-CD1 4.11Å; L77-L92 HydrophobicContact CD2-CD2 3.62Å; L77-L105 HydrophobicContact CB-CD2 4.22Å; L77-L105 HydrophobicContact CD2-CD2 3.9Å; L77-L105 HydrophobicContact CG-CD2 3.95Å
78A96.7Very high95.2Very high1 Ų146.2 Ų46.21%0.00823%0.23CC..Hα-helixtrans-57.2-44.5177.700000111.7T74 K75 A80 L81 K82 T104 L105 A108T74-A78 WeakPolarHBondContact O-CB 3.48Å; T74-A78 PolarHBondContact O-N 3.43Å; K75-A78 PolarHBondContact O-N 3.31Å; A78-A80 VanDerWaalsContact C-N 3.34Å; A78-A80 PolarHBondContact O-N 2.89Å; A78-L81 PolarHBondContact O-N 3.13Å; A78-K82 WeakPolarHBondContact O-CG 3.45Å; A78-K82 PolarHBondContact O-N 2.79Å; A78-T104 HydrophobicContact CB-CG2 4.09Å; A78-L105 HydrophobicContact CB-CD2 4.09Å; A78-A108 WeakPolarHBondContact O-CB 3.48Å
79D96.5Very high95.4Very high86 Ų8647.6 Ų47.646%0.4624%0.239SC..Hα-helixtrans-67.6-35.2179-69.5-22.5000112.5K75 L77 K82 T83K75-D79 PolarHBondContact O-N 3.32Å; L77-D79 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 3.11Å; D79-K82 IonicContact OD1-NZ 2.85Å; D79-K82 PolarHBondContact OD1-NZ 3.49Å; D79-T83 PolarHBondContact O-OG1 3.29Å
80A96.9Very high95.8Very high2 Ų245.1 Ų45.12%0.01722%0.222CC..Hα-helixtrans-64.4-45.9172.300000111.9C49 V52 A53 H76 L77 A78 K82 T83 N84C49-A80 HydrophobicContact CB-CB 4.07Å; C49-A80 WeakPolarHBondContact O-CB 3.27Å; V52-A80 HydrophobicContact CB-CB 4.4Å; V52-A80 HydrophobicContact CG1-CB 4.23Å; A53-A80 HydrophobicContact CB-CB 4.2Å; H76-A80 PolarHBondContact O-N 2.79Å; H76-A80 VanDerWaalsContact O-N 3.11Å; L77-A80 WeakPolarHBondContact O-CB 3.14Å; L77-A80 PolarHBondContact O-N 3.43Å; A78-A80 VanDerWaalsContact C-N 3.34Å; A78-A80 PolarHBondContact O-N 2.89Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 3.19Å; A80-T83 PolarHBondContact O-N 3.37Å; A80-T83 PolarHBondContact O-OG1 2.84Å; A80-N84 WeakPolarHBondContact O-CB 3.35Å; A80-N84 PolarHBondContact O-N 3.19Å
81L96.3Very high96.1Very high2 Ų245 Ų451%0.0122%0.217CC..Hα-helixtrans-67.4-30-179.8-67.7172.7000113L77 A78 T83 I87 L90 L105 A108 L109 H112L77-L81 HydrophobicContact CD1-CD1 4.03Å; L77-L81 HydrophobicContact CD1-CG 4.05Å; L77-L81 HydrophobicContact CD2-CD1 4.49Å; L77-L81 HydrophobicContact CG-CD1 3.87Å; L77-L81 HydrophobicContact CG-CG 4.32Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.18Å; A78-L81 PolarHBondContact O-N 3.13Å; L81-T83 PolarHBondContact O-N 2.9Å; L81-I87 HydrophobicContact CD2-CD1 3.74Å; L81-L90 HydrophobicContact CD1-CD2 3.79Å; L81-L90 HydrophobicContact CD2-CD2 4.49Å; L81-L105 HydrophobicContact CD1-CD2 4.36Å; L81-A108 HydrophobicContact CB-CB 3.67Å; L81-L109 HydrophobicContact CD1-CD2 3.9Å; L81-H112 PolarHBondContact O-CD2 3.32Å; L81-H112 VanDerWaalsContact O-CD2 3.29Å
82K94.7Very high96.3Very high89 Ų8941.6 Ų41.639%0.38720%0.199SC..Hα-helixtrans-60.8-32.6175.4-77.5171.7-164.4158.30112.9A78 D79 A80 R85 T107 A108A78-K82 WeakPolarHBondContact O-CG 3.45Å; A78-K82 PolarHBondContact O-N 2.79Å; D79-K82 IonicContact OD1-NZ 2.85Å; D79-K82 PolarHBondContact OD1-NZ 3.49Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 3.19Å; K82-R85 PolarHBondContact O-NH1 3.14Å; K82-R85 PolarHBondContact O-NH2 3.4Å; K82-R85 VanDerWaalsContact O-NH2 3.11Å; K82-T107 WeakPolarHBondContact CE-OG1 3.48Å; K82-A108 HydrophobicContact CG-CB 3.79Å
83T94.3Very high96.3Very high81 Ų8140.1 Ų40.150%0.49719%0.19SC..Hα-helixtrans-99.4-35.2-174.850.50000111.9A53 D79 A80 L81A53-T83 WeakPolarHBondContact CB-OG1 3.39Å; D79-T83 PolarHBondContact O-OG1 3.29Å; A80-T83 PolarHBondContact O-N 3.37Å; A80-T83 PolarHBondContact O-OG1 2.84Å; L81-T83 PolarHBondContact O-N 2.9Å
84N95.9Very high96.2Very high1 Ų139.6 Ų39.61%0.00519%0.192CC..  trans-59.2145.9174.9-170.3-80.1000111.3V52 S55 A80 S86 I87 H112V52-N84 PolarHBondContact O-ND2 3.35Å; S55-N84 PolarHBondContact O-ND2 2.65Å; A80-N84 WeakPolarHBondContact O-CB 3.35Å; A80-N84 PolarHBondContact O-N 3.19Å; N84-S86 PolarHBondContact ND2-OG 2.71Å; N84-S86 PolarHBondContact OD1-N 3.4Å; N84-S86 PolarHBondContact OD1-OG 3.17Å; N84-I87 HydrophobicContact CB-CD1 4.35Å; N84-I87 WeakPolarHBondContact OD1-CG1 3.2Å; N84-I87 PolarHBondContact OD1-N 3.01Å; N84-H112 PolarHBondContact O-NE2 3.18Å
85R93.3Very high96.1Very high137 Ų13739.5 Ų39.552%0.51719%0.191SC..  trans-131.9-1.1-179.7-59.8-68.3175.9-110.33.2112.8K82 P113 S114K82-R85 PolarHBondContact O-NH1 3.14Å; K82-R85 PolarHBondContact O-NH2 3.4Å; K82-R85 VanDerWaalsContact O-NH2 3.11Å; R85-P113 HydrophobicContact CB-CG 4.46Å; R85-S114 PolarHBondContact O-OG 2.81Å; R85-S114 VanDerWaalsContact O-OG 3.07Å
86S95.4Very high96Very high16 Ų1636.9 Ų36.911%0.11219%0.185CC..  trans-105.4-26-171.465.30000113.5S55 H56 L58 N84 Q88S55-S86 PolarHBondContact O-OG 3.12Å; H56-S86 VanDerWaalsContact C-CB 3.46Å; H56-S86 WeakPolarHBondContact O-CB 3.28Å; L58-S86 PolarHBondContact N-OG 3.01Å; L58-S86 CarbonylContact O-C 3.33Å; L58-S86 WeakPolarHBondContact O-CB 3.21Å; L58-S86 PolarHBondContact O-OG 2.97Å; N84-S86 PolarHBondContact ND2-OG 2.71Å; N84-S86 PolarHBondContact OD1-N 3.4Å; N84-S86 PolarHBondContact OD1-OG 3.17Å; S86-Q88 PolarHBondContact O-N 3.05Å
87I96.6Very high95.8Very high0 Ų034 Ų340%017%0.171CC..  trans-65.8127.6-174.9-69165.7000110.2V52 L58 L61 L81 N84 H112 S114 L115V52-I87 HydrophobicContact CG1-CD1 3.74Å; L58-I87 HydrophobicContact CD2-CD1 4.21Å; L58-I87 HydrophobicContact CD2-CG1 4.2Å; L58-I87 HydrophobicContact CG-CG1 4.33Å; L58-I87 WeakPolarHBondContact O-CA 3.46Å; L58-I87 PolarHBondContact O-N 2.97Å; L61-I87 HydrophobicContact CB-CD1 4.34Å; L61-I87 HydrophobicContact CD2-CD1 4.1Å; L81-I87 HydrophobicContact CD2-CD1 3.74Å; N84-I87 HydrophobicContact CB-CD1 4.35Å; N84-I87 WeakPolarHBondContact OD1-CG1 3.2Å; N84-I87 PolarHBondContact OD1-N 3.01Å; I87-H112 PolarHBondContact O-CE1 3.44Å; I87-H112 PolarHBondContact O-ND1 2.8Å; I87-S114 CarbonylContact O-C 3.51Å; I87-L115 HydrophobicContact CG2-CD1 4.27Å
88Q96.9Very high95.7Very high100 Ų10038 Ų3847%0.46719%0.192SC..  trans-109.8-33.9176.8-61.7178.57.700111.5A59 S86 S114 V116 S117A59-Q88 PolarHBondContact O-N 2.82Å; S86-Q88 PolarHBondContact O-N 3.05Å; Q88-S114 WeakPolarHBondContact CA-O 3.48Å; Q88-V116 PolarHBondContact O-N 2.53Å; Q88-S117 PolarHBondContact O-N 2.85Å
89T97.9Very high95.7Very high28 Ų2840.4 Ų40.417%0.17221%0.205CC..EExtended strand (participates in β ladder)trans-127.1124.3-177.1-52.60000110.5A59 Q60 L61 F91 S117A59-T89 PolarHBondContact O-N 2.88Å; Q60-T89 WeakPolarHBondContact CA-O 3.43Å; Q60-T89 HydrophobicContact CG-CG2 4.31Å; L61-T89 PolarHBondContact N-O 3.03Å; T89-F91 HydrophobicContact CG2-CD2 3.89Å; T89-F91 HydrophobicContact CG2-CE1 4.13Å; T89-F91 HydrophobicContact CG2-CE2 3.19Å; T89-F91 HydrophobicContact CG2-CZ 3.33Å; T89-S117 WeakPolarHBondContact CA-O 3.44Å
90L97.8Very high95.6Very high0 Ų039.4 Ų39.40%021%0.209CC..EExtended strand (participates in β ladder)trans-124.2118.6178.9178.662.6000110.3L61 L81 L92 L109 L115 S117 L118 D119L61-L90 HydrophobicContact CB-CD1 4.15Å; L61-L90 HydrophobicContact CD2-CD1 3.92Å; L61-L90 HydrophobicContact CG-CD1 4.08Å; L61-L90 WeakPolarHBondContact O-CA 3.49Å; L81-L90 HydrophobicContact CD1-CD2 3.79Å; L81-L90 HydrophobicContact CD2-CD2 4.49Å; L90-L92 HydrophobicContact CD1-CD2 4.19Å; L90-L92 HydrophobicContact CD1-CG 4.27Å; L90-L92 HydrophobicContact CD2-CD1 4.03Å; L90-L92 HydrophobicContact CD2-CG 4.37Å; L90-L92 HydrophobicContact CG-CD1 4.27Å; L90-L92 HydrophobicContact CG-CG 4.06Å; L90-L109 HydrophobicContact CD2-CD2 3.78Å; L90-L115 HydrophobicContact CB-CD1 3.97Å; L90-S117 PolarHBondContact N-O 3.25Å; L90-L118 HydrophobicContact CB-CD1 4.23Å; L90-L118 HydrophobicContact CD2-CD1 4.02Å; L90-L118 HydrophobicContact CG-CD1 4.26Å; L90-D119 PolarHBondContact O-N 2.91Å
91F98Very high95.5Very high49 Ų4939.3 Ų39.322%0.21521%0.208CC..EExtended strand (participates in β ladder)trans-107.8122.2174.8-54.4-86.4000111.1Q60 L61 N62 M63 N64 T89 D119Q60-F91 HydrophobicContact CG-CD2 4.25Å; Q60-F91 HydrophobicContact CG-CE2 3.81Å; L61-F91 PolarHBondContact O-N 2.95Å; N62-F91 HydrophobicContact CB-CB 4.22Å; N62-F91 HydrophobicContact CB-CD2 3.96Å; N62-F91 HydrophobicContact CB-CG 4.49Å; M63-F91 PolarHBondContact N-O 2.93Å; N64-F91 WeakPolarHBondContact OD1-CA 3.45Å; N64-F91 WeakPolarHBondContact OD1-CB 3.46Å; N64-F91 PolarHBondContact OD1-O 2.72Å; T89-F91 HydrophobicContact CG2-CD2 3.89Å; T89-F91 HydrophobicContact CG2-CE1 4.13Å; T89-F91 HydrophobicContact CG2-CE2 3.19Å; T89-F91 HydrophobicContact CG2-CZ 3.33Å; F91-D119 HydrophobicContact CB-CB 4.45Å; F91-D119 HydrophobicContact CD1-CB 3.62Å; F91-D119 WeakPolarHBondContact CD1-OD2 3.23Å; F91-D119 HydrophobicContact CE1-CB 4.35Å; F91-D119 HydrophobicContact CG-CB 4.44Å
92L97.1Very high95.4Very high0 Ų039.2 Ų39.20%021%0.208CC..  trans-124.611.6177.2-61.8176.6000113.2M63 N64 V68 L77 L90 G94 S95 L97 L105 D119 L120 C123M63-L92 HydrophobicContact CB-CD2 4.12Å; N64-L92 PolarHBondContact OD1-N 2.91Å; N64-L92 VanDerWaalsContact OD1-N 3.11Å; V68-L92 HydrophobicContact CG2-CD2 3.79Å; L77-L92 HydrophobicContact CD2-CD1 4.11Å; L77-L92 HydrophobicContact CD2-CD2 3.62Å; L90-L92 HydrophobicContact CD1-CD2 4.19Å; L90-L92 HydrophobicContact CD1-CG 4.27Å; L90-L92 HydrophobicContact CD2-CD1 4.03Å; L90-L92 HydrophobicContact CD2-CG 4.37Å; L90-L92 HydrophobicContact CG-CD1 4.27Å; L90-L92 HydrophobicContact CG-CG 4.06Å; L92-G94 PolarHBondContact O-N 3.47Å; L92-S95 WeakPolarHBondContact O-CB 3.47Å; L92-S95 PolarHBondContact O-N 3.1Å; L92-S95 VanDerWaalsContact O-N 3.11Å; L92-S95 PolarHBondContact O-OG 2.8Å; L92-L97 HydrophobicContact CB-CD1 4.43Å; L92-L97 HydrophobicContact CD1-CD1 4.11Å; L92-L105 HydrophobicContact CD1-CD1 3.72Å; L92-D119 PolarHBondContact N-O 2.71Å; L92-L120 HydrophobicContact CB-CD2 4.25Å; L92-L120 HydrophobicContact CD1-CD2 3.96Å; L92-C123 PolarHBondContact O-SG 2.86Å; L92-C123 VanDerWaalsContact O-SG 3.33Å
93H95.9Very high95.4Very high53 Ų5338.4 Ų38.425%0.24521%0.21CC..THydrogen-bonded Turntrans-49136.9-175.1-165.1102000113.1N64 L65 S95 D119 G121N64-H93 CarbonylContact C-O 3.56Å; N64-H93 VanDerWaalsContact CA-O 3.24Å; N64-H93 WeakPolarHBondContact CA-O 3.44Å; N64-H93 HydrophobicContact CB-CB 4.26Å; N64-H93 WeakPolarHBondContact ND2-CB 3.41Å; N64-H93 PolarHBondContact OD1-N 3.39Å; L65-H93 PolarHBondContact N-O 2.64Å; H93-S95 PolarHBondContact O-N 2.98Å; H93-D119 WeakPolarHBondContact CB-OD2 3.35Å; H93-D119 IonicContact CG-OD1 3.13Å; H93-D119 IonicContact ND1-OD1 2.69Å; H93-D119 PolarHBondContact ND1-OD1 2.85Å; H93-D119 IonicContact ND1-OD2 2.74Å; H93-G121 CarbonylContact C-O 3.59Å; H93-G121 WeakPolarHBondContact CA-O 3.09Å; H93-G121 WeakPolarHBondContact ND1-CA 3.41Å
94G93.8Very high95.5Very high13 Ų1336 Ų3613%0.13420%0.196CC..THydrogen-bonded Turntrans66.724.3179.200000113.1G66 L92 G121 D122G66-G94 PolarHBondContact N-O 3.07Å; L92-G94 PolarHBondContact O-N 3.47Å; G94-G121 PolarHBondContact N-O 3.19Å; G94-D122 VanDerWaalsContact CA-O 3.23Å; G94-D122 WeakPolarHBondContact CA-O 3.47Å; G94-D122 PolarHBondContact N-O 3.18Å
95S93.6Very high95.4Very high0 Ų036 Ų360%020%0.195CC..  trans-103.4121.6170.5-630000109.2L92 H93 L97 C123L92-S95 WeakPolarHBondContact O-CB 3.47Å; L92-S95 PolarHBondContact O-N 3.1Å; L92-S95 VanDerWaalsContact O-N 3.11Å; L92-S95 PolarHBondContact O-OG 2.8Å; H93-S95 PolarHBondContact O-N 2.98Å; S95-L97 PolarHBondContact O-N 3.34Å; S95-C123 WeakPolarHBondContact O-CA 3.48Å; S95-C123 WeakPolarHBondContact O-CB 3.21Å; S95-C123 PolarHBondContact O-SG 2.99Å
96P93Very high95.4Very high49 Ų4930.8 Ų30.832%0.31818%0.178SC..  trans-71.975.4-177.931-37.2000111.3L98 M124P96-L98 HydrophobicContact CB-CD1 4.2Å; P96-L98 WeakPolarHBondContact O-CD1 3.47Å; P96-M124 HydrophobicContact CB-CE 3.22Å; P96-M124 HydrophobicContact CB-SD 4.49Å
97L94.2Very high95Very high6 Ų633.7 Ų33.73%0.03120%0.195CC..  trans-74.1-39.7-178.6-65.4176.8000111.1V68 T74 L92 S95 G101 L105 L120 C123 L125V68-L97 HydrophobicContact CB-CD2 4.47Å; V68-L97 HydrophobicContact CG1-CD2 3.93Å; T74-L97 HydrophobicContact CG2-CD2 4.15Å; L92-L97 HydrophobicContact CB-CD1 4.43Å; L92-L97 HydrophobicContact CD1-CD1 4.11Å; S95-L97 PolarHBondContact O-N 3.34Å; L97-G101 WeakPolarHBondContact O-CA 3.45Å; L97-G101 PolarHBondContact O-N 2.8Å; L97-L105 HydrophobicContact CD1-CD1 3.93Å; L97-L105 HydrophobicContact CD2-CD1 4.1Å; L97-L120 HydrophobicContact CD1-CD2 3.71Å; L97-C123 HydrophobicContact CB-CB 4.39Å; L97-C123 HydrophobicContact CD1-CB 4.23Å; L97-C123 HydrophobicContact CG-CB 4.39Å; L97-C123 PolarHBondContact N-O 2.94Å; L97-L125 HydrophobicContact CB-CD2 4.37Å
98L95.2Very high94.8Very high85 Ų8533.7 Ų33.745%0.44520%0.195SC..Hα-helixtrans54.6-178.6-167.3-58.975.4000111.4P96 A100 G101 L102 C123 M124P96-L98 HydrophobicContact CB-CD1 4.2Å; P96-L98 WeakPolarHBondContact O-CD1 3.47Å; L98-A100 VanDerWaalsContact C-N 3.28Å; L98-A100 PolarHBondContact O-N 3.02Å; L98-G101 PolarHBondContact O-N 2.95Å; L98-L102 PolarHBondContact O-N 3.06Å; L98-C123 PolarHBondContact N-O 3.15Å; L98-C123 VanDerWaalsContact N-O 3.1Å; L98-M124 HydrophobicContact CD1-CE 3.48Å; L98-M124 VanDerWaalsContact CD1-CE 3.48Å; L98-M124 HydrophobicContact CG-CE 4.05Å
99D95.6Very high94.6Very high51 Ų5129.1 Ų29.127%0.27317%0.174SC..Hα-helixtrans-59.2-39.9175.4-68.7-17000112.3G101 L102 V103 G126 E128 A129D99-G101 PolarHBondContact O-N 3.21Å; D99-L102 PolarHBondContact O-N 2.78Å; D99-V103 WeakPolarHBondContact O-CG2 3.33Å; D99-V103 PolarHBondContact O-N 2.99Å; D99-G126 VanDerWaalsContact OD1-CA 3.26Å; D99-G126 WeakPolarHBondContact OD1-CA 3.4Å; D99-G126 PolarHBondContact OD1-N 3.04Å; D99-E128 HydrophobicContact CB-CB 4.25Å; D99-A129 WeakPolarHBondContact OD1-CB 3.04Å; D99-A129 PolarHBondContact OD1-N 3.11Å; D99-A129 VanDerWaalsContact OD1-N 3.09Å
100A94.8Very high94.1Very high65 Ų6529.9 Ų29.954%0.53718%0.18SC..Hα-helixtrans-65.6-38.3-177.800000113.2L98 T104L98-A100 VanDerWaalsContact C-N 3.28Å; L98-A100 PolarHBondContact O-N 3.02Å; A100-T104 PolarHBondContact O-N 3.45Å; A100-T104 PolarHBondContact O-OG1 3.02Å
101G94.8Very high93.6Very high1 Ų135 Ų351%0.0121%0.211CC..Hα-helixtrans-67-43.3175.300000111.1T74 L97 L98 D99 T104 L105T74-G101 VanDerWaalsContact CG2-O 3.26Å; T74-G101 WeakPolarHBondContact CG2-O 3.4Å; L97-G101 WeakPolarHBondContact O-CA 3.45Å; L97-G101 PolarHBondContact O-N 2.8Å; L98-G101 PolarHBondContact O-N 2.95Å; D99-G101 PolarHBondContact O-N 3.21Å; G101-T104 VanDerWaalsContact O-CB 3.3Å; G101-T104 WeakPolarHBondContact O-CB 3.45Å; G101-T104 PolarHBondContact O-N 3.16Å; G101-T104 VanDerWaalsContact O-N 3.12Å; G101-L105 PolarHBondContact O-N 3.38Å
102L95Very high93.3Very high0 Ų033.2 Ų33.20%020%0.204CC..Hα-helixtrans-68.6-36.9179-163.166.4000112.8L98 D99 T104 L105 N106 L109 L120 L125 A129 I133L98-L102 PolarHBondContact O-N 3.06Å; D99-L102 PolarHBondContact O-N 2.78Å; L102-T104 PolarHBondContact O-N 3.35Å; L102-L105 HydrophobicContact CD1-CB 4.5Å; L102-L105 PolarHBondContact O-N 2.82Å; L102-N106 VanDerWaalsContact O-CB 3.22Å; L102-N106 WeakPolarHBondContact O-CB 3.29Å; L102-N106 PolarHBondContact O-N 2.97Å; L102-L109 HydrophobicContact CD1-CD1 4.37Å; L102-L120 HydrophobicContact CD1-CD1 3.76Å; L102-L120 HydrophobicContact CD1-CD2 4.14Å; L102-L120 HydrophobicContact CD2-CD1 4.37Å; L102-L125 HydrophobicContact CB-CD2 4.29Å; L102-L125 HydrophobicContact CD2-CD1 4.34Å; L102-L125 HydrophobicContact CD2-CD2 4.26Å; L102-A129 HydrophobicContact CB-CB 4.13Å; L102-A129 HydrophobicContact CD2-CB 3.43Å; L102-A129 VanDerWaalsContact CD2-CB 3.43Å; L102-A129 WeakPolarHBondContact CD2-O 3.4Å; L102-A129 HydrophobicContact CG-CB 4.4Å; L102-I133 HydrophobicContact CD2-CD1 3.55Å; L102-I133 HydrophobicContact CD2-CG1 3.68Å
103V95.3Very high93Very high71 Ų7137 Ų3743%0.4323%0.229SC..Hα-helixtrans-53.2-41.4170168.30000111.1D99 L132D99-V103 WeakPolarHBondContact O-CG2 3.33Å; D99-V103 PolarHBondContact O-N 2.99Å; V103-L132 HydrophobicContact CB-CD1 4.24Å; V103-L132 HydrophobicContact CG2-CD1 3.64Å
104T95.6Very high92.8Very high32 Ų3236.6 Ų36.620%0.19623%0.231CC..Hα-helixtrans-66.7-47.7178.7-56.50000111.4T74 K75 A78 A100 G101 L102 T107T74-T104 HydrophobicContact CG2-CG2 4.35Å; K75-T104 HydrophobicContact CB-CG2 4.44Å; K75-T104 HydrophobicContact CG-CG2 3.72Å; A78-T104 HydrophobicContact CB-CG2 4.09Å; A100-T104 PolarHBondContact O-N 3.45Å; A100-T104 PolarHBondContact O-OG1 3.02Å; G101-T104 VanDerWaalsContact O-CB 3.3Å; G101-T104 WeakPolarHBondContact O-CB 3.45Å; G101-T104 PolarHBondContact O-N 3.16Å; G101-T104 VanDerWaalsContact O-N 3.12Å; L102-T104 PolarHBondContact O-N 3.35Å; T104-T107 PolarHBondContact O-OG1 3.05Å
105L94.8Very high92.9Very high0 Ų036.4 Ų36.40%023%0.227CC..Hα-helixtrans-68.6-33.6179.4-69172.2000113.1T74 L77 A78 L81 L92 L97 G101 L102 T107 A108 L109T74-L105 HydrophobicContact CG2-CD1 3.96Å; T74-L105 HydrophobicContact CG2-CD2 3.94Å; T74-L105 HydrophobicContact CG2-CG 3.55Å; L77-L105 HydrophobicContact CB-CD2 4.22Å; L77-L105 HydrophobicContact CD2-CD2 3.9Å; L77-L105 HydrophobicContact CG-CD2 3.95Å; A78-L105 HydrophobicContact CB-CD2 4.09Å; L81-L105 HydrophobicContact CD1-CD2 4.36Å; L92-L105 HydrophobicContact CD1-CD1 3.72Å; L97-L105 HydrophobicContact CD1-CD1 3.93Å; L97-L105 HydrophobicContact CD2-CD1 4.1Å; G101-L105 PolarHBondContact O-N 3.38Å; L102-L105 HydrophobicContact CD1-CB 4.5Å; L102-L105 PolarHBondContact O-N 2.82Å; L105-T107 PolarHBondContact O-N 3.32Å; L105-T107 VanDerWaalsContact O-N 3.1Å; L105-A108 WeakPolarHBondContact O-CA 3.49Å; L105-A108 WeakPolarHBondContact O-CB 3.45Å; L105-A108 PolarHBondContact O-N 2.85Å; L105-L109 HydrophobicContact CB-CD1 3.79Å; L105-L109 HydrophobicContact CB-CG 4.21Å; L105-L109 WeakPolarHBondContact O-CG 3.5Å; L105-L109 PolarHBondContact O-N 3.11Å
106N92.1Very high93Very high28 Ų2838.5 Ų38.515%0.1524%0.24CC..Hα-helixtrans-57.9-31.2-174.5-175.566.3000112.4L102 A108 S110 L132L102-N106 VanDerWaalsContact O-CB 3.22Å; L102-N106 WeakPolarHBondContact O-CB 3.29Å; L102-N106 PolarHBondContact O-N 2.97Å; N106-A108 PolarHBondContact O-N 3.36Å; N106-S110 VanDerWaalsContact O-CB 3.31Å; N106-S110 WeakPolarHBondContact O-CB 3.39Å; N106-S110 PolarHBondContact O-N 3.22Å; N106-S110 VanDerWaalsContact O-N 3.1Å; N106-S110 PolarHBondContact O-OG 2.73Å; N106-L132 HydrophobicContact CB-CB 4.44Å; N106-L132 HydrophobicContact CB-CD1 4.03Å
107T87.4Confident93.2Very high76 Ų7636.4 Ų36.447%0.46623%0.227SC..Hα-helixtrans-59.2-29174.464.20000113.4K82 T104 L105K82-T107 WeakPolarHBondContact CE-OG1 3.48Å; T104-T107 PolarHBondContact O-OG1 3.05Å; L105-T107 PolarHBondContact O-N 3.32Å; L105-T107 VanDerWaalsContact O-N 3.1Å
108A92.1Very high93.3Very high1 Ų136.2 Ų36.21%0.00823%0.226CC..Hα-helixtrans-96-45.6177.100000111.9A78 L81 K82 L105 N106 T111 H112A78-A108 WeakPolarHBondContact O-CB 3.48Å; L81-A108 HydrophobicContact CB-CB 3.67Å; K82-A108 HydrophobicContact CG-CB 3.79Å; L105-A108 WeakPolarHBondContact O-CA 3.49Å; L105-A108 WeakPolarHBondContact O-CB 3.45Å; L105-A108 PolarHBondContact O-N 2.85Å; N106-A108 PolarHBondContact O-N 3.36Å; A108-T111 PolarHBondContact O-N 2.93Å; A108-H112 PolarHBondContact O-N 2.98Å; A108-H112 VanDerWaalsContact O-N 3.16Å
109L92.6Very high93.5Very high4 Ų432.9 Ų32.92%0.02121%0.208CC..Hα-helixtrans-64.8-45.3-173.8-64.5176.1000112.6L81 L90 L102 L105 T111 H112 L115 L118 M136L81-L109 HydrophobicContact CD1-CD2 3.9Å; L90-L109 HydrophobicContact CD2-CD2 3.78Å; L102-L109 HydrophobicContact CD1-CD1 4.37Å; L105-L109 HydrophobicContact CB-CD1 3.79Å; L105-L109 HydrophobicContact CB-CG 4.21Å; L105-L109 WeakPolarHBondContact O-CG 3.5Å; L105-L109 PolarHBondContact O-N 3.11Å; L109-T111 PolarHBondContact O-N 3.44Å; L109-T111 VanDerWaalsContact O-N 3.09Å; L109-H112 PolarHBondContact O-N 3.38Å; L109-H112 VanDerWaalsContact O-N 3.13Å; L109-L115 HydrophobicContact CD2-CD2 3.79Å; L109-L118 HydrophobicContact CD1-CD1 4.46Å; L109-L118 HydrophobicContact CD1-CD2 4.17Å; L109-M136 HydrophobicContact CB-SD 3.65Å
110S88.4Confident93.5Very high44 Ų4430.4 Ų30.431%0.30820%0.195SC..THydrogen-bonded Turntrans-62.8-19.7-176.459.70000114.4N106N106-S110 VanDerWaalsContact O-CB 3.31Å; N106-S110 WeakPolarHBondContact O-CB 3.39Å; N106-S110 PolarHBondContact O-N 3.22Å; N106-S110 VanDerWaalsContact O-N 3.1Å; N106-S110 PolarHBondContact O-OG 2.73Å
111T86.9Confident93.6Very high106 Ų10627.3 Ų27.365%0.6517%0.17SC*.THydrogen-bonded Turntrans-117.46.6-179.560.80000112.8A108 L109A108-T111 PolarHBondContact O-N 2.93Å; L109-T111 PolarHBondContact O-N 3.44Å; L109-T111 VanDerWaalsContact O-N 3.09Å
112H91.9Very high93.7Very high13 Ų1331 Ų316%0.0619%0.189CC..  trans-67.2124.2-177-161-85.7000110L81 N84 I87 A108 L109 S114 L115L81-H112 PolarHBondContact O-CD2 3.32Å; L81-H112 VanDerWaalsContact O-CD2 3.29Å; N84-H112 PolarHBondContact O-NE2 3.18Å; I87-H112 PolarHBondContact O-CE1 3.44Å; I87-H112 PolarHBondContact O-ND1 2.8Å; A108-H112 PolarHBondContact O-N 2.98Å; A108-H112 VanDerWaalsContact O-N 3.16Å; L109-H112 PolarHBondContact O-N 3.38Å; L109-H112 VanDerWaalsContact O-N 3.13Å; H112-S114 VanDerWaalsContact C-N 3.3Å; H112-S114 PolarHBondContact O-N 3.36Å; H112-L115 HydrophobicContact CB-CB 3.96Å; H112-L115 PolarHBondContact ND1-N 2.82Å
113P90Very high93.7Very high80 Ų8031 Ų3152%0.51919%0.189SC..SBendtrans-76.9-16.1-166.926.6-32.5000114.5R85R85-P113 HydrophobicContact CB-CG 4.46Å
114S92.3Very high93.7Very high43 Ų4331.8 Ų31.830%0.30119%0.189SC..SBendtrans-130.12.6-171-590000114R85 I87 Q88 H112 V116R85-S114 PolarHBondContact O-OG 2.81Å; R85-S114 VanDerWaalsContact O-OG 3.07Å; I87-S114 CarbonylContact O-C 3.51Å; Q88-S114 WeakPolarHBondContact CA-O 3.48Å; H112-S114 VanDerWaalsContact C-N 3.3Å; H112-S114 PolarHBondContact O-N 3.36Å; S114-V116 PolarHBondContact O-N 3.47Å
115L94.9Very high93.8Very high10 Ų1030.2 Ų30.25%0.05218%0.179CC..  trans-71.4125.5-178.7-170.571.5000109.8I87 L90 L109 H112 L118 G145 L146I87-L115 HydrophobicContact CG2-CD1 4.27Å; L90-L115 HydrophobicContact CB-CD1 3.97Å; L109-L115 HydrophobicContact CD2-CD2 3.79Å; H112-L115 HydrophobicContact CB-CB 3.96Å; H112-L115 PolarHBondContact ND1-N 2.82Å; L115-L118 HydrophobicContact CD2-CB 4.45Å; L115-G145 CarbonylContact O-C 3.58Å; L115-G145 VanDerWaalsContact O-C 3.3Å; L115-L146 HydrophobicContact CD2-CD1 4.46Å; L115-L146 HydrophobicContact CG-CD1 4.4Å
116V95.5Very high93.9Very high43 Ų4330.7 Ų30.726%0.26118%0.184SC..  trans-117.2-35.5-177.7178.30000111.4Q88 S114 L146 R147 E148Q88-V116 PolarHBondContact O-N 2.53Å; S114-V116 PolarHBondContact O-N 3.47Å; V116-L146 WeakPolarHBondContact O-CD1 3.47Å; V116-R147 HydrophobicContact CG1-CB 3.88Å; V116-R147 HydrophobicContact CG1-CG 3.94Å; V116-R147 PolarHBondContact O-N 2.87Å; V116-E148 PolarHBondContact O-N 3.18Å
117S97.3Very high94.1Very high6 Ų631.6 Ų31.64%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-132.1128.5-174.6-178.30000110.8Q88 T89 L90 E148Q88-S117 PolarHBondContact O-N 2.85Å; T89-S117 WeakPolarHBondContact CA-O 3.44Å; L90-S117 PolarHBondContact N-O 3.25Å; S117-E148 WeakPolarHBondContact CA-O 3.46Å; S117-E148 WeakPolarHBondContact CB-OE2 3.13Å; S117-E148 PolarHBondContact OG-OE2 2.95Å
118L97.6Very high94.5Very high1 Ų131.7 Ų31.71%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-134.3120.4-176.2178.661000110.4L90 L109 L115 L120 M136 L146 E148 L149 T150L90-L118 HydrophobicContact CB-CD1 4.23Å; L90-L118 HydrophobicContact CD2-CD1 4.02Å; L90-L118 HydrophobicContact CG-CD1 4.26Å; L109-L118 HydrophobicContact CD1-CD1 4.46Å; L109-L118 HydrophobicContact CD1-CD2 4.17Å; L115-L118 HydrophobicContact CD2-CB 4.45Å; L118-L120 HydrophobicContact CD1-CD1 4.49Å; L118-L120 HydrophobicContact CD1-CD2 4.26Å; L118-L120 HydrophobicContact CD1-CG 4.09Å; L118-L120 HydrophobicContact CD2-CD1 3.83Å; L118-L120 HydrophobicContact CD2-CG 4.27Å; L118-L120 HydrophobicContact CG-CD1 4.07Å; L118-L120 HydrophobicContact CG-CG 3.95Å; L118-M136 HydrophobicContact CD2-CE 3.98Å; L118-L146 HydrophobicContact CB-CD1 3.6Å; L118-L146 HydrophobicContact CB-CD2 4.48Å; L118-E148 PolarHBondContact N-O 2.92Å; L118-L149 WeakPolarHBondContact O-CA 3.19Å; L118-T150 PolarHBondContact O-N 3.37Å
119D97.9Very high94.6Very high15 Ų1531.6 Ų31.68%0.0818%0.184CC..EExtended strand (participates in β ladder)trans-111116.4175.3174.78.4000110.9L90 F91 L92 H93 G121 T150L90-D119 PolarHBondContact O-N 2.91Å; F91-D119 HydrophobicContact CB-CB 4.45Å; F91-D119 HydrophobicContact CD1-CB 3.62Å; F91-D119 WeakPolarHBondContact CD1-OD2 3.23Å; F91-D119 HydrophobicContact CE1-CB 4.35Å; F91-D119 HydrophobicContact CG-CB 4.44Å; L92-D119 PolarHBondContact N-O 2.71Å; H93-D119 WeakPolarHBondContact CB-OD2 3.35Å; H93-D119 IonicContact CG-OD1 3.13Å; H93-D119 IonicContact ND1-OD1 2.69Å; H93-D119 PolarHBondContact ND1-OD1 2.85Å; H93-D119 IonicContact ND1-OD2 2.74Å; D119-G121 PolarHBondContact OD1-N 2.81Å; D119-T150 WeakPolarHBondContact OD1-CG2 3.33Å
120L96.9Very high94.7Very high0 Ų031.5 Ų31.50%018%0.183CC..  trans-125.330.3178.1-64171.6000110.8L92 L97 L102 L118 C123 L125 I133 T150 L151 N154L92-L120 HydrophobicContact CB-CD2 4.25Å; L92-L120 HydrophobicContact CD1-CD2 3.96Å; L97-L120 HydrophobicContact CD1-CD2 3.71Å; L102-L120 HydrophobicContact CD1-CD1 3.76Å; L102-L120 HydrophobicContact CD1-CD2 4.14Å; L102-L120 HydrophobicContact CD2-CD1 4.37Å; L118-L120 HydrophobicContact CD1-CD1 4.49Å; L118-L120 HydrophobicContact CD1-CD2 4.26Å; L118-L120 HydrophobicContact CD1-CG 4.09Å; L118-L120 HydrophobicContact CD2-CD1 3.83Å; L118-L120 HydrophobicContact CD2-CG 4.27Å; L118-L120 HydrophobicContact CG-CD1 4.07Å; L118-L120 HydrophobicContact CG-CG 3.95Å; L120-C123 VanDerWaalsContact C-SG 3.59Å; L120-C123 WeakPolarHBondContact O-CB 3.41Å; L120-L125 HydrophobicContact CB-CD1 4Å; L120-L125 HydrophobicContact CD1-CD1 4.39Å; L120-I133 HydrophobicContact CD1-CD1 3.97Å; L120-I133 HydrophobicContact CD1-CG1 4.21Å; L120-T150 CarbonylContact C-O 3.53Å; L120-T150 PolarHBondContact N-O 3Å; L120-L151 HydrophobicContact CB-CD2 4.07Å; L120-L151 HydrophobicContact CD1-CD2 4.45Å; L120-N154 PolarHBondContact O-ND2 3.13Å
121G96.3Very high95Very high0 Ų034.4 Ų34.40%019%0.187CC..THydrogen-bonded Turntrans-67.1148.7175.200000112.3H93 G94 D119 C123 S152H93-G121 CarbonylContact C-O 3.59Å; H93-G121 WeakPolarHBondContact CA-O 3.09Å; H93-G121 WeakPolarHBondContact ND1-CA 3.41Å; G94-G121 PolarHBondContact N-O 3.19Å; D119-G121 PolarHBondContact OD1-N 2.81Å; G121-C123 PolarHBondContact O-N 3.11Å; G121-C123 VanDerWaalsContact O-N 3.1Å; G121-C123 PolarHBondContact O-SG 3.42Å; G121-S152 CarbonylContact C-O 3.52Å; G121-S152 WeakPolarHBondContact CA-O 3.18Å
122D96Very high95.4Very high77 Ų7730.1 Ų30.141%0.41216%0.16SC..THydrogen-bonded Turntrans4743.6-179.7-169.531.1000113.1G94 S152 A153G94-D122 VanDerWaalsContact CA-O 3.23Å; G94-D122 WeakPolarHBondContact CA-O 3.47Å; G94-D122 PolarHBondContact N-O 3.18Å; D122-S152 PolarHBondContact N-O 3.46Å; D122-A153 WeakPolarHBondContact CA-O 3.28Å; D122-A153 HydrophobicContact CB-CB 4.22Å
123C96.5Very high95.5Very high0 Ų029.5 Ų29.50%016%0.157CC..SBendtrans-103.58-177.2-75.70000113.2L92 S95 L97 L98 L120 G121 L125 N154L92-C123 PolarHBondContact O-SG 2.86Å; L92-C123 VanDerWaalsContact O-SG 3.33Å; S95-C123 WeakPolarHBondContact O-CA 3.48Å; S95-C123 WeakPolarHBondContact O-CB 3.21Å; S95-C123 PolarHBondContact O-SG 2.99Å; L97-C123 HydrophobicContact CB-CB 4.39Å; L97-C123 HydrophobicContact CD1-CB 4.23Å; L97-C123 HydrophobicContact CG-CB 4.39Å; L97-C123 PolarHBondContact N-O 2.94Å; L98-C123 PolarHBondContact N-O 3.15Å; L98-C123 VanDerWaalsContact N-O 3.1Å; L120-C123 VanDerWaalsContact C-SG 3.59Å; L120-C123 WeakPolarHBondContact O-CB 3.41Å; G121-C123 PolarHBondContact O-N 3.11Å; G121-C123 VanDerWaalsContact O-N 3.1Å; G121-C123 PolarHBondContact O-SG 3.42Å; C123-L125 HydrophobicContact CB-CD1 4.36Å; C123-L125 HydrophobicContact CB-CD2 3.94Å; C123-L125 HydrophobicContact CB-CG 3.82Å; C123-L125 PolarHBondContact O-N 2.91Å; C123-N154 PolarHBondContact N-OD1 3.5Å
124M94.9Very high95.6Very high88 Ų8826.3 Ų26.343%0.43314%0.137SC..  trans51.840.7-175.1-54.7-172-53.100112.7P96 L98 N154P96-M124 HydrophobicContact CB-CE 3.22Å; P96-M124 HydrophobicContact CB-SD 4.49Å; L98-M124 HydrophobicContact CD1-CE 3.48Å; L98-M124 VanDerWaalsContact CD1-CE 3.48Å; L98-M124 HydrophobicContact CG-CE 4.05Å; M124-N154 PolarHBondContact N-OD1 2.9Å
125L96.7Very high95.4Very high0 Ų027.8 Ų27.80%015%0.152CC..  trans-73.1147.8-179.4-58.2-177000111.4L97 L102 L120 C123 A129 I133 L151 N154 S156 I157L97-L125 HydrophobicContact CB-CD2 4.37Å; L102-L125 HydrophobicContact CB-CD2 4.29Å; L102-L125 HydrophobicContact CD2-CD1 4.34Å; L102-L125 HydrophobicContact CD2-CD2 4.26Å; L120-L125 HydrophobicContact CB-CD1 4Å; L120-L125 HydrophobicContact CD1-CD1 4.39Å; C123-L125 HydrophobicContact CB-CD1 4.36Å; C123-L125 HydrophobicContact CB-CD2 3.94Å; C123-L125 HydrophobicContact CB-CG 3.82Å; C123-L125 PolarHBondContact O-N 2.91Å; L125-A129 HydrophobicContact CB-CB 3.86Å; L125-A129 HydrophobicContact CD1-CB 4.43Å; L125-A129 HydrophobicContact CD2-CB 3.85Å; L125-A129 HydrophobicContact CG-CB 4.25Å; L125-I133 HydrophobicContact CD1-CD1 3.96Å; L125-L151 HydrophobicContact CD1-CD2 4.12Å; L125-N154 HydrophobicContact CB-CB 4.36Å; L125-N154 WeakPolarHBondContact CB-OD1 3.33Å; L125-N154 WeakPolarHBondContact CG-OD1 3.32Å; L125-N154 PolarHBondContact N-OD1 3.47Å; L125-S156 WeakPolarHBondContact O-CB 3.32Å; L125-I157 HydrophobicContact CB-CD1 4.25Å; L125-I157 VanDerWaalsContact O-CG1 3.27Å; L125-I157 WeakPolarHBondContact O-CG1 3.3Å
126G96.9Very high95.1Very high9 Ų927.7 Ų27.79%0.09315%0.151CC..  trans-115.7-169.4171.700000112.6D99 E128 A129 L130D99-G126 VanDerWaalsContact OD1-CA 3.26Å; D99-G126 WeakPolarHBondContact OD1-CA 3.4Å; D99-G126 PolarHBondContact OD1-N 3.04Å; G126-E128 VanDerWaalsContact C-N 3.25Å; G126-E128 PolarHBondContact O-N 3.2Å; G126-A129 WeakPolarHBondContact O-CB 3.49Å; G126-A129 PolarHBondContact O-N 3.2Å; G126-L130 PolarHBondContact O-N 3.36Å; G126-L130 VanDerWaalsContact O-N 3.08Å
127D96.3Very high94.7Very high47 Ų4726 Ų2625%0.25114%0.141SC..Hα-helixtrans-61.5-32-176.3-74.9-2.7000113.3L130 R131 T158D127-L130 PolarHBondContact O-N 2.94Å; D127-R131 WeakPolarHBondContact O-CB 3.2Å; D127-R131 PolarHBondContact O-N 2.92Å; D127-T158 VanDerWaalsContact CG-OG1 3.31Å; D127-T158 PolarHBondContact OD1-N 3.1Å; D127-T158 PolarHBondContact OD1-OG1 3.38Å; D127-T158 PolarHBondContact OD2-OG1 2.89Å
128E95.6Very high93.7Very high78 Ų7826.9 Ų26.936%0.36415%0.146SC..Hα-helixtrans-73.6-40.8-179.1-179.759.9-169.800111.3D99 G126 L130 R131 L132D99-E128 HydrophobicContact CB-CB 4.25Å; G126-E128 VanDerWaalsContact C-N 3.25Å; G126-E128 PolarHBondContact O-N 3.2Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 2.82Å; E128-R131 WeakPolarHBondContact O-CB 3.45Å; E128-R131 PolarHBondContact O-N 2.92Å; E128-R131 IonicContact OE1-CZ 3.2Å; E128-R131 IonicContact OE1-NE 2.72Å; E128-R131 PolarHBondContact OE1-NE 2.97Å; E128-R131 IonicContact OE1-NH2 3.67Å; E128-R131 PolarHBondContact OE1-NH2 3.19Å; E128-R131 IonicContact OE2-CZ 2.86Å; E128-R131 IonicContact OE2-NE 2.78Å; E128-R131 PolarHBondContact OE2-NE 3.37Å; E128-R131 IonicContact OE2-NH2 2.85Å; E128-L132 PolarHBondContact O-N 3.24Å
129A95.4Very high92.4Very high0 Ų030 Ų300%017%0.167CC..Hα-helixtrans-56.6-48.6168.600000111.4D99 L102 L125 G126 R131 L132 I133D99-A129 WeakPolarHBondContact OD1-CB 3.04Å; D99-A129 PolarHBondContact OD1-N 3.11Å; D99-A129 VanDerWaalsContact OD1-N 3.09Å; L102-A129 HydrophobicContact CB-CB 4.13Å; L102-A129 HydrophobicContact CD2-CB 3.43Å; L102-A129 VanDerWaalsContact CD2-CB 3.43Å; L102-A129 WeakPolarHBondContact CD2-O 3.4Å; L102-A129 HydrophobicContact CG-CB 4.4Å; L125-A129 HydrophobicContact CB-CB 3.86Å; L125-A129 HydrophobicContact CD1-CB 4.43Å; L125-A129 HydrophobicContact CD2-CB 3.85Å; L125-A129 HydrophobicContact CG-CB 4.25Å; G126-A129 WeakPolarHBondContact O-CB 3.49Å; G126-A129 PolarHBondContact O-N 3.2Å; A129-R131 VanDerWaalsContact C-N 3.27Å; A129-R131 PolarHBondContact O-N 2.68Å; A129-L132 WeakPolarHBondContact O-CB 3.48Å; A129-L132 PolarHBondContact O-N 3.27Å; A129-I133 PolarHBondContact O-N 3.32Å
130L95.3Very high90.7Very high1 Ų136.2 Ų36.21%0.00520%0.199CC..Hα-helixtrans-63.8-34.7-178-16958.2000112.2G126 D127 E128 L132 I133 C134 L151 I157 G161 W162 L165G126-L130 PolarHBondContact O-N 3.36Å; G126-L130 VanDerWaalsContact O-N 3.08Å; D127-L130 PolarHBondContact O-N 2.94Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 2.82Å; L130-L132 VanDerWaalsContact C-N 3.29Å; L130-L132 PolarHBondContact O-N 2.73Å; L130-I133 HydrophobicContact CD1-CB 4.36Å; L130-I133 HydrophobicContact CD1-CD1 4.25Å; L130-I133 PolarHBondContact O-N 2.89Å; L130-C134 PolarHBondContact O-N 2.92Å; L130-C134 PolarHBondContact O-SG 2.92Å; L130-L151 HydrophobicContact CD1-CD1 3.62Å; L130-I157 HydrophobicContact CB-CD1 4.39Å; L130-I157 HydrophobicContact CD2-CD1 4.18Å; L130-I157 HydrophobicContact CD2-CG2 3.45Å; L130-I157 VanDerWaalsContact CD2-CG2 3.45Å; L130-G161 WeakPolarHBondContact CD2-O 3.29Å; L130-W162 HydrophobicContact CD2-CD2 4.26Å; L130-W162 HydrophobicContact CD2-CE3 3.88Å; L130-W162 HydrophobicContact CD2-CZ3 4.2Å; L130-L165 HydrophobicContact CD1-CB 4.27Å; L130-L165 HydrophobicContact CD1-CD1 4.13Å; L130-L165 HydrophobicContact CD1-CD2 4.3Å; L130-L165 HydrophobicContact CD1-CG 4.47Å; L130-L165 HydrophobicContact CD2-CB 4.12Å; L130-L165 HydrophobicContact CG-CB 4.38Å
131R94.8Very high88.9Confident105 Ų10538.1 Ų38.140%0.39622%0.219SC..Hα-helixtrans-58.3-40.2172.5-171.9-17268.573.1-1.4112.1D127 E128 A129 A135D127-R131 WeakPolarHBondContact O-CB 3.2Å; D127-R131 PolarHBondContact O-N 2.92Å; E128-R131 WeakPolarHBondContact O-CB 3.45Å; E128-R131 PolarHBondContact O-N 2.92Å; E128-R131 IonicContact OE1-CZ 3.2Å; E128-R131 IonicContact OE1-NE 2.72Å; E128-R131 PolarHBondContact OE1-NE 2.97Å; E128-R131 IonicContact OE1-NH2 3.67Å; E128-R131 PolarHBondContact OE1-NH2 3.19Å; E128-R131 IonicContact OE2-CZ 2.86Å; E128-R131 IonicContact OE2-NE 2.78Å; E128-R131 PolarHBondContact OE2-NE 3.37Å; E128-R131 IonicContact OE2-NH2 2.85Å; A129-R131 VanDerWaalsContact C-N 3.27Å; A129-R131 PolarHBondContact O-N 2.68Å; R131-A135 PolarHBondContact O-N 2.78Å
132L93.9Very high87.1Confident16 Ų1642.3 Ų42.38%0.08425%0.254CS..Hα-helixtrans-69.8-41.3176.8-62.7176.1000111.6V103 N106 E128 A129 L130 C134 A135 M136V103-L132 HydrophobicContact CB-CD1 4.24Å; V103-L132 HydrophobicContact CG2-CD1 3.64Å; N106-L132 HydrophobicContact CB-CB 4.44Å; N106-L132 HydrophobicContact CB-CD1 4.03Å; E128-L132 PolarHBondContact O-N 3.24Å; A129-L132 WeakPolarHBondContact O-CB 3.48Å; A129-L132 PolarHBondContact O-N 3.27Å; L130-L132 VanDerWaalsContact C-N 3.29Å; L130-L132 PolarHBondContact O-N 2.73Å; L132-C134 VanDerWaalsContact C-N 3.33Å; L132-C134 PolarHBondContact O-N 2.92Å; L132-A135 WeakPolarHBondContact O-CB 3.41Å; L132-A135 PolarHBondContact O-N 2.77Å; L132-A135 VanDerWaalsContact O-N 3.09Å; L132-M136 PolarHBondContact O-N 3.24Å
133I93.9Very high85.6Confident0 Ų047.4 Ų47.40%027%0.273CS..Hα-helixtrans-60.3-43.8175.6-66.5155.3000111.2L102 L120 L125 A129 L130 A135 M136 L149 L151L102-I133 HydrophobicContact CD2-CD1 3.55Å; L102-I133 HydrophobicContact CD2-CG1 3.68Å; L120-I133 HydrophobicContact CD1-CD1 3.97Å; L120-I133 HydrophobicContact CD1-CG1 4.21Å; L125-I133 HydrophobicContact CD1-CD1 3.96Å; A129-I133 PolarHBondContact O-N 3.32Å; L130-I133 HydrophobicContact CD1-CB 4.36Å; L130-I133 HydrophobicContact CD1-CD1 4.25Å; L130-I133 PolarHBondContact O-N 2.89Å; I133-A135 PolarHBondContact O-N 3.11Å; I133-M136 HydrophobicContact CB-CE 4.26Å; I133-M136 HydrophobicContact CG1-CE 3.95Å; I133-M136 HydrophobicContact CG2-CE 4.49Å; I133-M136 WeakPolarHBondContact O-CA 3.46Å; I133-M136 WeakPolarHBondContact O-CB 3.37Å; I133-M136 PolarHBondContact O-N 3.21Å; I133-L149 HydrophobicContact CG2-CD1 4.13Å; I133-L149 HydrophobicContact CG2-CD2 3.58Å; I133-L151 HydrophobicContact CD1-CD2 3.59Å; I133-L151 HydrophobicContact CG2-CD1 4.42Å
134C92.4Very high84Confident14 Ų1448.3 Ų48.310%0.09528%0.279CS..Hα-helixtrans-58.9-35.7175.6-65.60000112.1L130 L132 M136 L137 R164 L165 A168L130-C134 PolarHBondContact O-N 2.92Å; L130-C134 PolarHBondContact O-SG 2.92Å; L132-C134 VanDerWaalsContact C-N 3.33Å; L132-C134 PolarHBondContact O-N 2.92Å; C134-M136 PolarHBondContact O-N 3.25Å; C134-L137 PolarHBondContact O-N 3.48Å; C134-L137 VanDerWaalsContact O-N 3.13Å; C134-R164 HydrophobicContact CB-CG 4.3Å; C134-L165 VanDerWaalsContact SG-CA 3.6Å; C134-A168 HydrophobicContact CB-CB 3.83Å
135A89.3Confident83.2Confident74 Ų7445.5 Ų45.561%0.61227%0.273SS*.Hα-helixtrans-69.9-18.6176.200000113.2R131 L132 I133 L137R131-A135 PolarHBondContact O-N 2.78Å; L132-A135 WeakPolarHBondContact O-CB 3.41Å; L132-A135 PolarHBondContact O-N 2.77Å; L132-A135 VanDerWaalsContact O-N 3.09Å; I133-A135 PolarHBondContact O-N 3.11Å; A135-L137 VanDerWaalsContact C-N 3.28Å
136M88.3Confident83Confident7 Ų745.7 Ų45.73%0.03427%0.274CS..THydrogen-bonded Turntrans-84.11.5172-58.1-168.7-7100113.2L109 L118 L132 I133 C134 P138 S144L109-M136 HydrophobicContact CB-SD 3.65Å; L118-M136 HydrophobicContact CD2-CE 3.98Å; L132-M136 PolarHBondContact O-N 3.24Å; I133-M136 HydrophobicContact CB-CE 4.26Å; I133-M136 HydrophobicContact CG1-CE 3.95Å; I133-M136 HydrophobicContact CG2-CE 4.49Å; I133-M136 WeakPolarHBondContact O-CA 3.46Å; I133-M136 WeakPolarHBondContact O-CB 3.37Å; I133-M136 PolarHBondContact O-N 3.21Å; C134-M136 PolarHBondContact O-N 3.25Å; M136-P138 VanDerWaalsContact C-CD 3.42Å; M136-P138 VanDerWaalsContact O-CD 3.22Å; M136-P138 WeakPolarHBondContact O-CD 3.47Å; M136-S144 WeakPolarHBondContact O-CB 3.4Å; M136-S144 PolarHBondContact O-OG 2.7Å
137L87.4Confident82.8Confident9 Ų951 Ų515%0.04729%0.291CS..SBendtrans-113.273.3175.5-60.6176.7000109.5C134 A135 L146 L149 L165 A168 L175C134-L137 PolarHBondContact O-N 3.48Å; C134-L137 VanDerWaalsContact O-N 3.13Å; A135-L137 VanDerWaalsContact C-N 3.28Å; L137-L146 HydrophobicContact CD2-CD2 4.11Å; L137-L149 HydrophobicContact CD1-CD2 4.28Å; L137-L165 HydrophobicContact CD1-CD1 4.22Å; L137-A168 HydrophobicContact CD1-CB 4.46Å; L137-L175 HydrophobicContact CD1-CD2 4.34Å; L137-L175 HydrophobicContact CD2-CD1 4.2Å
138P75.1Confident82.9Confident24 Ų2452.7 Ų52.716%0.15630%0.297CS..  trans-70.8144.6-173.128.9-34.4000111.8M136M136-P138 VanDerWaalsContact C-CD 3.42Å; M136-P138 VanDerWaalsContact O-CD 3.22Å; M136-P138 WeakPolarHBondContact O-CD 3.47Å
139P70.1Confident83Confident67 Ų6749 Ų4944%0.43528%0.28SS..THydrogen-bonded Turntrans-66.6-45.3-178.524.4-33.1000113.2H171 S173P139-H171 VanDerWaalsContact CA-O 3.28Å; P139-H171 WeakPolarHBondContact CA-O 3.45Å; P139-H171 HydrophobicContact CB-CB 4.01Å; P139-S173 WeakPolarHBondContact O-CB 3.43Å; P139-S173 PolarHBondContact O-OG 2.9Å
140D62.8Low83.1Confident144 Ų14450 Ų5077%0.7729%0.286SS*.THydrogen-bonded Turntrans-107.233.5-163.8-64.3-39.8000114.7A142D140-A142 PolarHBondContact O-N 3.47Å
141G59.3Low83.2Confident40 Ų4050 Ų5041%0.41229%0.286SS..SBendtrans60.811.6176.800000114.7K143 S173G141-K143 PolarHBondContact O-N 3.31Å; G141-S173 PolarHBondContact N-OG 3.49Å
142A57.7Low83.3Confident89 Ų8945.2 Ų45.274%0.73627%0.269SS*.SBendtrans-71.820-177.500000114.1D140D140-A142 PolarHBondContact O-N 3.47Å
143K64.2Low83.4Confident184 Ų18445.7 Ų45.780%0.828%0.275SS*.SBendtrans86.5101.9175-66.8-171.5176.6-176.20118.8G141G141-K143 PolarHBondContact O-N 3.31Å
144S63.7Low83.5Confident18 Ų1845.7 Ų45.713%0.12628%0.275CS..  trans-147124.5131.3166.70000105.8M136 L146 Q174M136-S144 WeakPolarHBondContact O-CB 3.4Å; M136-S144 PolarHBondContact O-OG 2.7Å; S144-L146 PolarHBondContact O-N 2.99Å; S144-Q174 PolarHBondContact O-NE2 3.19Å; S144-Q174 PolarHBondContact O-OE1 2.91Å; S144-Q174 VanDerWaalsContact O-OE1 3.11Å
145G78.3Confident83.5Confident30 Ų3049.1 Ų49.131%0.30930%0.297SS..  trans-8115.1-173.800000114.4L115 R147L115-G145 CarbonylContact O-C 3.58Å; L115-G145 VanDerWaalsContact O-C 3.3Å; G145-R147 PolarHBondContact O-N 2.97Å
146L91.3Very high83.8Confident4 Ų449.3 Ų49.32%0.02129%0.294CS..  trans-71.7119-174.1-164.174.1000110.6L115 V116 L118 L137 S144 E148 L149L115-L146 HydrophobicContact CD2-CD1 4.46Å; L115-L146 HydrophobicContact CG-CD1 4.4Å; V116-L146 WeakPolarHBondContact O-CD1 3.47Å; L118-L146 HydrophobicContact CB-CD1 3.6Å; L118-L146 HydrophobicContact CB-CD2 4.48Å; L137-L146 HydrophobicContact CD2-CD2 4.11Å; S144-L146 PolarHBondContact O-N 2.99Å; L146-E148 WeakPolarHBondContact CD1-O 3.47Å; L146-L149 HydrophobicContact CD2-CB 4.19Å; L146-L149 HydrophobicContact CD2-CD1 4.25Å
147R94.4Very high84.2Confident119 Ų11949.3 Ų49.345%0.44929%0.294SS..  trans-110-24.6178.2-61-176.6-178.2-167.8-2.3112.2V116 G145 R176 V177V116-R147 HydrophobicContact CG1-CB 3.88Å; V116-R147 HydrophobicContact CG1-CG 3.94Å; V116-R147 PolarHBondContact O-N 2.87Å; G145-R147 PolarHBondContact O-N 2.97Å; R147-R176 HydrophobicContact CB-CG 4.47Å; R147-R176 WeakPolarHBondContact O-CA 3.48Å; R147-R176 PolarHBondContact O-N 2.93Å; R147-V177 PolarHBondContact O-N 3.31Å
148E97.2Very high84.6Confident83 Ų8351.8 Ų51.839%0.38831%0.31SS..EExtended strand (participates in β ladder)trans-129.2126.8-177.2-55.1172.6-170.500109.5V116 S117 L118 L146 V177V116-E148 PolarHBondContact O-N 3.18Å; S117-E148 WeakPolarHBondContact CA-O 3.46Å; S117-E148 WeakPolarHBondContact CB-OE2 3.13Å; S117-E148 PolarHBondContact OG-OE2 2.95Å; L118-E148 PolarHBondContact N-O 2.92Å; L146-E148 WeakPolarHBondContact CD1-O 3.47Å; E148-V177 WeakPolarHBondContact CA-O 3.47Å; E148-V177 HydrophobicContact CB-CB 4.2Å; E148-V177 HydrophobicContact CG-CB 3.96Å; E148-V177 HydrophobicContact CG-CG2 4Å
149L97.6Very high85.5Confident0 Ų054 Ų540%032%0.323CS..EExtended strand (participates in β ladder)trans-134.4122.9179.9176.761.5000109.8L118 I133 L137 L146 L151 L175 V177 L178 N179L118-L149 WeakPolarHBondContact O-CA 3.19Å; I133-L149 HydrophobicContact CG2-CD1 4.13Å; I133-L149 HydrophobicContact CG2-CD2 3.58Å; L137-L149 HydrophobicContact CD1-CD2 4.28Å; L146-L149 HydrophobicContact CD2-CB 4.19Å; L146-L149 HydrophobicContact CD2-CD1 4.25Å; L149-L151 HydrophobicContact CD1-CD2 4.13Å; L149-L151 HydrophobicContact CD1-CG 4.09Å; L149-L151 HydrophobicContact CD2-CD1 3.96Å; L149-L151 HydrophobicContact CD2-CG 4.3Å; L149-L151 HydrophobicContact CG-CD1 4.22Å; L149-L151 HydrophobicContact CG-CG 4Å; L149-L175 HydrophobicContact CB-CD1 3.85Å; L149-V177 PolarHBondContact N-O 3.11Å; L149-L178 HydrophobicContact CB-CD1 4.23Å; L149-L178 HydrophobicContact CD2-CD1 4.11Å; L149-L178 HydrophobicContact CG-CD1 4.21Å; L149-L178 WeakPolarHBondContact O-CA 3.21Å; L149-N179 PolarHBondContact O-N 3.39Å
150T98.1Very high86.7Confident23 Ų2358.3 Ų58.314%0.14134%0.335CS..EExtended strand (participates in β ladder)trans-112.1122.4174.2-600000109.7L118 D119 L120 S152 N179L118-T150 PolarHBondContact O-N 3.37Å; D119-T150 WeakPolarHBondContact OD1-CG2 3.33Å; L120-T150 CarbonylContact C-O 3.53Å; L120-T150 PolarHBondContact N-O 3Å; T150-S152 WeakPolarHBondContact CG2-OG 3.48Å; T150-N179 HydrophobicContact CG2-CB 4.04Å; T150-N179 PolarHBondContact OG1-ND2 2.91Å
151L97.3Very high88.3Confident0 Ų051.5 Ų51.50%030%0.299CS..  trans-126.823178.8-64.9174.4000112L120 L125 L130 I133 L149 N154 W162 L165 N179 L180 N183L120-L151 HydrophobicContact CB-CD2 4.07Å; L120-L151 HydrophobicContact CD1-CD2 4.45Å; L125-L151 HydrophobicContact CD1-CD2 4.12Å; L130-L151 HydrophobicContact CD1-CD1 3.62Å; I133-L151 HydrophobicContact CD1-CD2 3.59Å; I133-L151 HydrophobicContact CG2-CD1 4.42Å; L149-L151 HydrophobicContact CD1-CD2 4.13Å; L149-L151 HydrophobicContact CD1-CG 4.09Å; L149-L151 HydrophobicContact CD2-CD1 3.96Å; L149-L151 HydrophobicContact CD2-CG 4.3Å; L149-L151 HydrophobicContact CG-CD1 4.22Å; L149-L151 HydrophobicContact CG-CG 4Å; L151-N154 PolarHBondContact O-ND2 3.35Å; L151-W162 HydrophobicContact CB-CH2 4.27Å; L151-W162 HydrophobicContact CB-CZ3 4.48Å; L151-W162 HydrophobicContact CD1-CZ3 4.27Å; L151-L165 HydrophobicContact CD1-CD1 4.45Å; L151-L165 HydrophobicContact CD1-CD2 3.93Å; L151-N179 PolarHBondContact N-O 3.41Å; L151-L180 HydrophobicContact CB-CD2 4.01Å; L151-L180 HydrophobicContact CD1-CD2 4.3Å; L151-N183 PolarHBondContact O-ND2 3.25Å
152S96.2Very high90Very high4 Ų449.7 Ų49.73%0.02828%0.279CS..THydrogen-bonded Turntrans-50.3146.9-179-42.10000113G121 D122 T150 N154 D181G121-S152 CarbonylContact C-O 3.52Å; G121-S152 WeakPolarHBondContact CA-O 3.18Å; D122-S152 PolarHBondContact N-O 3.46Å; T150-S152 WeakPolarHBondContact CG2-OG 3.48Å; S152-N154 PolarHBondContact O-N 3.31Å; S152-N154 PolarHBondContact O-ND2 2.86Å; S152-D181 CarbonylContact C-O 3.51Å; S152-D181 WeakPolarHBondContact CA-O 3.38Å; S152-D181 VanDerWaalsContact CB-CG 3.49Å; S152-D181 VanDerWaalsContact CB-OD1 3.27Å; S152-D181 WeakPolarHBondContact CB-OD1 3.5Å; S152-D181 WeakPolarHBondContact CB-OD2 3.36Å; S152-D181 PolarHBondContact OG-OD1 3.33Å; S152-D181 PolarHBondContact OG-OD2 3.31Å
153A96Very high91.9Very high27 Ų2746.4 Ų46.422%0.22325%0.253CS..THydrogen-bonded Turntrans51.146.3170.600000115.5D122 P155 D181D122-A153 WeakPolarHBondContact CA-O 3.28Å; D122-A153 HydrophobicContact CB-CB 4.22Å; A153-P155 WeakPolarHBondContact O-CD 3.35Å; A153-D181 PolarHBondContact N-O 3.07Å
154N96.5Very high93.3Very high0 Ų042.9 Ų42.90%023%0.234CC..  trans-110.473.9171.1-74.3-70.3000111.2L120 C123 M124 L125 L151 S152 S156 I157 N183L120-N154 PolarHBondContact O-ND2 3.13Å; C123-N154 PolarHBondContact N-OD1 3.5Å; M124-N154 PolarHBondContact N-OD1 2.9Å; L125-N154 HydrophobicContact CB-CB 4.36Å; L125-N154 WeakPolarHBondContact CB-OD1 3.33Å; L125-N154 WeakPolarHBondContact CG-OD1 3.32Å; L125-N154 PolarHBondContact N-OD1 3.47Å; L151-N154 PolarHBondContact O-ND2 3.35Å; S152-N154 PolarHBondContact O-N 3.31Å; S152-N154 PolarHBondContact O-ND2 2.86Å; N154-S156 PolarHBondContact O-N 3.29Å; N154-S156 VanDerWaalsContact O-N 3.15Å; N154-I157 HydrophobicContact CB-CD1 3.65Å; N154-I157 HydrophobicContact CB-CG1 4.1Å; N154-I157 PolarHBondContact O-N 3.39Å; N154-N183 VanDerWaalsContact C-OD1 3.28Å; N154-N183 WeakPolarHBondContact CA-OD1 3.4Å; N154-N183 PolarHBondContact N-OD1 3.1Å; N154-N183 PolarHBondContact O-OD1 3.25Å
155P93.9Very high94.9Very high86 Ų8642.1 Ų42.156%0.55823%0.228SC*.THydrogen-bonded Turntrans-69.3-15.4-170.829-37.6000114.6A153 I157A153-P155 WeakPolarHBondContact O-CD 3.35Å; P155-I157 PolarHBondContact O-N 3.1Å
156S95Very high95.7Very high78 Ų7840.8 Ų40.855%0.54522%0.215SC..THydrogen-bonded Turntrans-77.3-9.2179.1-60.50000113.3L125 N154L125-S156 WeakPolarHBondContact O-CB 3.32Å; N154-S156 PolarHBondContact O-N 3.29Å; N154-S156 VanDerWaalsContact O-N 3.15Å
157I96.1Very high95.8Very high6 Ų645.4 Ų45.43%0.03124%0.238CC..  trans-77.5126.5175.3-58.6177.7000109.2L125 L130 N154 P155 W162L125-I157 HydrophobicContact CB-CD1 4.25Å; L125-I157 VanDerWaalsContact O-CG1 3.27Å; L125-I157 WeakPolarHBondContact O-CG1 3.3Å; L130-I157 HydrophobicContact CB-CD1 4.39Å; L130-I157 HydrophobicContact CD2-CD1 4.18Å; L130-I157 HydrophobicContact CD2-CG2 3.45Å; L130-I157 VanDerWaalsContact CD2-CG2 3.45Å; N154-I157 HydrophobicContact CB-CD1 3.65Å; N154-I157 HydrophobicContact CB-CG1 4.1Å; N154-I157 PolarHBondContact O-N 3.39Å; P155-I157 PolarHBondContact O-N 3.1Å; I157-W162 HydrophobicContact CB-CD2 4.47Å; I157-W162 HydrophobicContact CB-CZ2 3.72Å; I157-W162 HydrophobicContact CD1-CH2 3.68Å; I157-W162 HydrophobicContact CD1-CZ2 3.63Å; I157-W162 HydrophobicContact CD1-CZ3 4.37Å; I157-W162 HydrophobicContact CG1-CZ2 4.18Å; I157-W162 HydrophobicContact CG2-CD2 3.73Å; I157-W162 VanDerWaalsContact CG2-CE2 3.41Å; I157-W162 HydrophobicContact CG2-CE3 4.4Å; I157-W162 HydrophobicContact CG2-CG 3.96Å; I157-W162 HydrophobicContact CG2-CZ2 3.85Å; I157-W162 PolarHBondContact O-NE1 2.75Å
158T95.9Very high95.7Very high61 Ų6140.4 Ų40.437%0.37422%0.222SC..  trans-85168.8-179.581.60000111.5D127 K160 G161 W162D127-T158 VanDerWaalsContact CG-OG1 3.31Å; D127-T158 PolarHBondContact OD1-N 3.1Å; D127-T158 PolarHBondContact OD1-OG1 3.38Å; D127-T158 PolarHBondContact OD2-OG1 2.89Å; T158-K160 PolarHBondContact O-N 3.31Å; T158-K160 VanDerWaalsContact O-N 3.09Å; T158-K160 PolarHBondContact OG1-N 3.3Å; T158-G161 WeakPolarHBondContact O-CA 3.42Å; T158-G161 PolarHBondContact O-N 3.03Å; T158-W162 VanDerWaalsContact O-CD1 3.24Å; T158-W162 PolarHBondContact O-N 3.31Å
159T94.3Very high95.5Very high71 Ų7136.5 Ų36.544%0.43620%0.204SC..Hα-helixtrans-53.4-30.4171.454.10000112.9A163 I189T159-A163 WeakPolarHBondContact O-CB 3.45Å; T159-A163 PolarHBondContact O-N 3.13Å; T159-I189 HydrophobicContact CG2-CD1 4.49Å; T159-I189 HydrophobicContact CG2-CG1 4.23Å; T159-I189 WeakPolarHBondContact O-CD1 3.31Å
160K94.9Very high95.2Very high157 Ų15737.5 Ų37.568%0.68321%0.213SC*.Hα-helixtrans-69.9-37.2175.6-64.2178.4-178.3172.80112.4T158 R164T158-K160 PolarHBondContact O-N 3.31Å; T158-K160 VanDerWaalsContact O-N 3.09Å; T158-K160 PolarHBondContact OG1-N 3.3Å; K160-R164 PolarHBondContact O-N 2.93Å
161G95.6Very high94.7Very high1 Ų142 Ų421%0.0123%0.232CC..Hα-helixtrans-61.2-55.5172.500000110.1L130 T158 A163 R164 L165L130-G161 WeakPolarHBondContact CD2-O 3.29Å; T158-G161 WeakPolarHBondContact O-CA 3.42Å; T158-G161 PolarHBondContact O-N 3.03Å; G161-A163 VanDerWaalsContact C-N 3.35Å; G161-A163 PolarHBondContact O-N 3.36Å; G161-R164 WeakPolarHBondContact O-CB 3.2Å; G161-R164 PolarHBondContact O-N 3.29Å; G161-L165 PolarHBondContact O-N 2.98Å; G161-L165 VanDerWaalsContact O-N 3.1Å
162W96.9Very high94.1Very high2 Ų242.3 Ų42.31%0.00823%0.234CC..Hα-helixtrans-62.7-38.1-178.4-63.4121000113.8L130 L151 I157 T158 R164 L165 A166 L180 N183 L185 I189L130-W162 HydrophobicContact CD2-CD2 4.26Å; L130-W162 HydrophobicContact CD2-CE3 3.88Å; L130-W162 HydrophobicContact CD2-CZ3 4.2Å; L151-W162 HydrophobicContact CB-CH2 4.27Å; L151-W162 HydrophobicContact CB-CZ3 4.48Å; L151-W162 HydrophobicContact CD1-CZ3 4.27Å; I157-W162 HydrophobicContact CB-CD2 4.47Å; I157-W162 HydrophobicContact CB-CZ2 3.72Å; I157-W162 HydrophobicContact CD1-CH2 3.68Å; I157-W162 HydrophobicContact CD1-CZ2 3.63Å; I157-W162 HydrophobicContact CD1-CZ3 4.37Å; I157-W162 HydrophobicContact CG1-CZ2 4.18Å; I157-W162 HydrophobicContact CG2-CD2 3.73Å; I157-W162 VanDerWaalsContact CG2-CE2 3.41Å; I157-W162 HydrophobicContact CG2-CE3 4.4Å; I157-W162 HydrophobicContact CG2-CG 3.96Å; I157-W162 HydrophobicContact CG2-CZ2 3.85Å; I157-W162 PolarHBondContact O-NE1 2.75Å; T158-W162 VanDerWaalsContact O-CD1 3.24Å; T158-W162 PolarHBondContact O-N 3.31Å; W162-R164 PolarHBondContact O-N 3.27Å; W162-L165 HydrophobicContact CE3-CB 4.5Å; W162-L165 HydrophobicContact CE3-CD2 3.74Å; W162-L165 HydrophobicContact CZ3-CD2 3.68Å; W162-L165 WeakPolarHBondContact O-CB 3.33Å; W162-L165 PolarHBondContact O-N 2.92Å; W162-L165 VanDerWaalsContact O-N 3.1Å; W162-A166 PolarHBondContact O-N 3.29Å; W162-L180 HydrophobicContact CE3-CD2 4.45Å; W162-L180 HydrophobicContact CH2-CD2 4.19Å; W162-L180 HydrophobicContact CZ3-CD2 3.61Å; W162-N183 HydrophobicContact CH2-CB 4.23Å; W162-N183 HydrophobicContact CZ2-CB 3.67Å; W162-N183 WeakPolarHBondContact CZ2-OD1 3.23Å; W162-L185 HydrophobicContact CB-CD2 4.26Å; W162-L185 HydrophobicContact CD2-CD2 3.37Å; W162-L185 VanDerWaalsContact CE2-CD2 3.46Å; W162-L185 HydrophobicContact CE3-CD2 3.93Å; W162-L185 HydrophobicContact CG-CD2 3.52Å; W162-L185 HydrophobicContact CZ2-CD2 4.08Å; W162-L185 HydrophobicContact CZ3-CD2 4.5Å; W162-I189 HydrophobicContact CB-CD1 4.14Å; W162-I189 HydrophobicContact CB-CG1 4.13Å; W162-I189 HydrophobicContact CB-CG2 3.61Å; W162-I189 HydrophobicContact CG-CG2 4.41Å
163A95.9Very high93.5Very high21 Ų2144.5 Ų44.517%0.17425%0.249CC..Hα-helixtrans-57.4-38.6172.800000112.2T159 G161 A166 I167 I189 M192T159-A163 WeakPolarHBondContact O-CB 3.45Å; T159-A163 PolarHBondContact O-N 3.13Å; G161-A163 VanDerWaalsContact C-N 3.35Å; G161-A163 PolarHBondContact O-N 3.36Å; A163-A166 PolarHBondContact O-N 3Å; A163-I167 WeakPolarHBondContact O-CG1 2.92Å; A163-I167 PolarHBondContact O-N 3.37Å; A163-I189 HydrophobicContact CB-CD1 4.24Å; A163-M192 HydrophobicContact CB-CE 3.58Å; A163-M192 HydrophobicContact CB-SD 3.82Å
164R95.3Very high93.2Very high110 Ų11045.6 Ų45.642%0.41525%0.25SC..Hα-helixtrans-69-38.8175.8-178.2178.3-76.394.11.8111.8C134 K160 G161 W162 I167 A168C134-R164 HydrophobicContact CB-CG 4.3Å; K160-R164 PolarHBondContact O-N 2.93Å; G161-R164 WeakPolarHBondContact O-CB 3.2Å; G161-R164 PolarHBondContact O-N 3.29Å; W162-R164 PolarHBondContact O-N 3.27Å; R164-I167 PolarHBondContact O-N 3.06Å; R164-A168 PolarHBondContact O-N 3.49Å
165L95.8Very high93Very high1 Ų145.7 Ų45.71%0.00525%0.25CS..Hα-helixtrans-62.1-45.3174-176.869.5000111.2L130 C134 L137 L151 G161 W162 I167 A168 V169 L180L130-L165 HydrophobicContact CD1-CB 4.27Å; L130-L165 HydrophobicContact CD1-CD1 4.13Å; L130-L165 HydrophobicContact CD1-CD2 4.3Å; L130-L165 HydrophobicContact CD1-CG 4.47Å; L130-L165 HydrophobicContact CD2-CB 4.12Å; L130-L165 HydrophobicContact CG-CB 4.38Å; C134-L165 VanDerWaalsContact SG-CA 3.6Å; L137-L165 HydrophobicContact CD1-CD1 4.22Å; L151-L165 HydrophobicContact CD1-CD1 4.45Å; L151-L165 HydrophobicContact CD1-CD2 3.93Å; G161-L165 PolarHBondContact O-N 2.98Å; G161-L165 VanDerWaalsContact O-N 3.1Å; W162-L165 HydrophobicContact CE3-CB 4.5Å; W162-L165 HydrophobicContact CE3-CD2 3.74Å; W162-L165 HydrophobicContact CZ3-CD2 3.68Å; W162-L165 WeakPolarHBondContact O-CB 3.33Å; W162-L165 PolarHBondContact O-N 2.92Å; W162-L165 VanDerWaalsContact O-N 3.1Å; L165-I167 VanDerWaalsContact C-N 3.28Å; L165-I167 PolarHBondContact O-N 3.38Å; L165-A168 WeakPolarHBondContact O-CB 3.18Å; L165-A168 PolarHBondContact O-N 2.88Å; L165-V169 HydrophobicContact CD1-CG2 4.24Å; L165-V169 HydrophobicContact CG-CG2 4.14Å; L165-V169 VanDerWaalsContact O-CG2 3.29Å; L165-V169 WeakPolarHBondContact O-CG2 3.22Å; L165-V169 PolarHBondContact O-N 3.27Å; L165-L180 HydrophobicContact CD2-CD1 4.25Å; L165-L180 HydrophobicContact CD2-CD2 3.79Å
166A95.3Very high93.1Very high3 Ų346.4 Ų46.43%0.02524%0.242CC..Hα-helixtrans-56-44.3176.600000111.6W162 A163 A168 V169 A170 M192 L193 A196W162-A166 PolarHBondContact O-N 3.29Å; A163-A166 PolarHBondContact O-N 3Å; A166-A168 PolarHBondContact O-N 3.13Å; A166-V169 PolarHBondContact O-N 3.09Å; A166-A170 WeakPolarHBondContact O-CB 3.36Å; A166-A170 PolarHBondContact O-N 2.77Å; A166-M192 HydrophobicContact CB-CB 3.99Å; A166-L193 HydrophobicContact CB-CD2 3.96Å; A166-L193 HydrophobicContact CB-CG 4.38Å; A166-A196 HydrophobicContact CB-CB 4.37Å; A166-A196 WeakPolarHBondContact O-CB 3.48Å
167I93.3Very high93.2Very high100 Ų10044.1 Ų44.151%0.51323%0.225SC..Hα-helixtrans-62.1-43174.9-64.5164.8000111.4A163 R164 L165 A170 H171A163-I167 WeakPolarHBondContact O-CG1 2.92Å; A163-I167 PolarHBondContact O-N 3.37Å; R164-I167 PolarHBondContact O-N 3.06Å; L165-I167 VanDerWaalsContact C-N 3.28Å; L165-I167 PolarHBondContact O-N 3.38Å; I167-A170 PolarHBondContact O-N 2.99Å; I167-H171 PolarHBondContact O-N 2.82Å; I167-H171 PolarHBondContact O-ND1 2.93Å
168A92.8Very high93.3Very high14 Ų1443.9 Ų43.912%0.11622%0.223CC..Hα-helixtrans-65.1-41.4178.900000112.1C134 L137 R164 L165 A166 H171 S172C134-A168 HydrophobicContact CB-CB 3.83Å; L137-A168 HydrophobicContact CD1-CB 4.46Å; R164-A168 PolarHBondContact O-N 3.49Å; L165-A168 WeakPolarHBondContact O-CB 3.18Å; L165-A168 PolarHBondContact O-N 2.88Å; A166-A168 PolarHBondContact O-N 3.13Å; A168-H171 PolarHBondContact O-N 3Å; A168-S172 WeakPolarHBondContact O-CB 3.36Å; A168-S172 PolarHBondContact O-N 3.35Å
169V93Very high93.4Very high1 Ų142.7 Ų42.71%0.00621%0.214CC..Hα-helixtrans-63.9-41.9176.81720000111.2L165 A166 H171 S172 L175 L178 A196 L203L165-V169 HydrophobicContact CD1-CG2 4.24Å; L165-V169 HydrophobicContact CG-CG2 4.14Å; L165-V169 VanDerWaalsContact O-CG2 3.29Å; L165-V169 WeakPolarHBondContact O-CG2 3.22Å; L165-V169 PolarHBondContact O-N 3.27Å; A166-V169 PolarHBondContact O-N 3.09Å; V169-H171 PolarHBondContact O-N 3.42Å; V169-S172 PolarHBondContact O-N 2.93Å; V169-S172 VanDerWaalsContact O-N 3.13Å; V169-L175 HydrophobicContact CG2-CD2 4.09Å; V169-L178 HydrophobicContact CG1-CD2 4.43Å; V169-L178 HydrophobicContact CG2-CD2 3.67Å; V169-A196 HydrophobicContact CB-CB 4.49Å; V169-A196 HydrophobicContact CG1-CB 4.42Å; V169-L203 HydrophobicContact CG1-CD2 4.01Å
170A91.4Very high93.6Very high21 Ų2139.3 Ų39.317%0.17419%0.194CC..Hα-helixtrans-57.7-32.7178.300000113.2A166 I167 A196A166-A170 WeakPolarHBondContact O-CB 3.36Å; A166-A170 PolarHBondContact O-N 2.77Å; I167-A170 PolarHBondContact O-N 2.99Å; A170-A196 HydrophobicContact CB-CB 3.8Å
171H87.1Confident93.6Very high119 Ų11933 Ų3355%0.55117%0.168SC*.Hα-helixtrans-100-10.4180-60.285.7000113.1P139 I167 A168 V169 S173P139-H171 VanDerWaalsContact CA-O 3.28Å; P139-H171 WeakPolarHBondContact CA-O 3.45Å; P139-H171 HydrophobicContact CB-CB 4.01Å; I167-H171 PolarHBondContact O-N 2.82Å; I167-H171 PolarHBondContact O-ND1 2.93Å; A168-H171 PolarHBondContact O-N 3Å; V169-H171 PolarHBondContact O-N 3.42Å; H171-S173 PolarHBondContact O-N 3.11Å
172S85.9Confident93.7Very high5 Ų538 Ų384%0.03519%0.187CC..  trans-64.2130.1-179.4-176.90000110.3A168 V169 L175A168-S172 WeakPolarHBondContact O-CB 3.36Å; A168-S172 PolarHBondContact O-N 3.35Å; V169-S172 PolarHBondContact O-N 2.93Å; V169-S172 VanDerWaalsContact O-N 3.13Å; S172-L175 WeakPolarHBondContact OG-CB 3.48Å; S172-L175 PolarHBondContact OG-N 3.43Å
173S82.9Confident93.6Very high50 Ų5038 Ų3835%0.3519%0.187SC..SBendtrans-101.68179.546.80000113.6P139 G141 H171 T202P139-S173 WeakPolarHBondContact O-CB 3.43Å; P139-S173 PolarHBondContact O-OG 2.9Å; G141-S173 PolarHBondContact N-OG 3.49Å; H171-S173 PolarHBondContact O-N 3.11Å; S173-T202 VanDerWaalsContact O-CG2 3.31Å; S173-T202 WeakPolarHBondContact O-CG2 3.35Å
174Q88.5Confident93.4Very high51 Ų5140.8 Ų40.824%0.23820%0.203CC..SBendtrans-139.4-22.8-172.3-68.3178.286.100114.8S144 R176S144-Q174 PolarHBondContact O-NE2 3.19Å; S144-Q174 PolarHBondContact O-OE1 2.91Å; S144-Q174 VanDerWaalsContact O-OE1 3.11Å; Q174-R176 PolarHBondContact O-N 3.22Å
175L93.6Very high93.4Very high1 Ų135.9 Ų35.91%0.00519%0.185CC..  trans-68.8127.4-178.4-16871.1000110L137 L149 V169 S172 L178 T202 L203L137-L175 HydrophobicContact CD1-CD2 4.34Å; L137-L175 HydrophobicContact CD2-CD1 4.2Å; L149-L175 HydrophobicContact CB-CD1 3.85Å; V169-L175 HydrophobicContact CG2-CD2 4.09Å; S172-L175 WeakPolarHBondContact OG-CB 3.48Å; S172-L175 PolarHBondContact OG-N 3.43Å; L175-L178 HydrophobicContact CD2-CB 4.1Å; L175-L178 HydrophobicContact CD2-CD1 4.3Å; L175-L178 HydrophobicContact CD2-CD2 4.35Å; L175-L178 HydrophobicContact CD2-CG 4.49Å; L175-T202 CarbonylContact O-C 3.47Å; L175-T202 WeakPolarHBondContact O-CB 3.21Å; L175-T202 PolarHBondContact O-OG1 2.8Å; L175-L203 HydrophobicContact CD2-CD1 4.24Å; L175-L203 HydrophobicContact CG-CD1 4.17Å; L175-L203 WeakPolarHBondContact O-CA 3.48Å; L175-L203 PolarHBondContact O-N 3.39Å
176R95.3Very high93.3Very high101 Ų10136.9 Ų36.938%0.38120%0.196SC..  trans-113.1-37.3-179.8-65.9-169.3173-139.6-2.6112.8R147 Q174 T202 E204 V205R147-R176 HydrophobicContact CB-CG 4.47Å; R147-R176 WeakPolarHBondContact O-CA 3.48Å; R147-R176 PolarHBondContact O-N 2.93Å; Q174-R176 PolarHBondContact O-N 3.22Å; R176-T202 WeakPolarHBondContact CA-O 3.44Å; R176-E204 WeakPolarHBondContact CD-OE1 3.18Å; R176-E204 IonicContact CZ-OE1 3.78Å; R176-E204 IonicContact NE-OE1 3.29Å; R176-E204 IonicContact NH1-OE1 2.84Å; R176-E204 PolarHBondContact NH1-OE1 3.1Å; R176-E204 IonicContact NH1-OE2 3.28Å; R176-E204 PolarHBondContact O-N 3.34Å; R176-V205 PolarHBondContact O-N 2.91Å
177V97.6Very high93.2Very high31 Ų3139.4 Ų39.419%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-124.4126.9-178.7-176.60000109R147 E148 L149 V205R147-V177 PolarHBondContact O-N 3.31Å; E148-V177 WeakPolarHBondContact CA-O 3.47Å; E148-V177 HydrophobicContact CB-CB 4.2Å; E148-V177 HydrophobicContact CG-CB 3.96Å; E148-V177 HydrophobicContact CG-CG2 4Å; L149-V177 PolarHBondContact N-O 3.11Å; V177-V205 WeakPolarHBondContact CA-O 3.31Å; V177-V205 HydrophobicContact CB-CB 4.35Å; V177-V205 HydrophobicContact CG1-CB 4.08Å; V177-V205 HydrophobicContact CG1-CG1 4.17Å; V177-V205 HydrophobicContact CG2-CB 4.1Å; V177-V205 HydrophobicContact CG2-CG2 4.22Å
178L97.9Very high93.3Very high0 Ų041.6 Ų41.60%022%0.217CC..EExtended strand (participates in β ladder)trans-131.6115.9175.8179.559.4000110L149 V169 L175 L180 L203 V205 L206 D207L149-L178 HydrophobicContact CB-CD1 4.23Å; L149-L178 HydrophobicContact CD2-CD1 4.11Å; L149-L178 HydrophobicContact CG-CD1 4.21Å; L149-L178 WeakPolarHBondContact O-CA 3.21Å; V169-L178 HydrophobicContact CG1-CD2 4.43Å; V169-L178 HydrophobicContact CG2-CD2 3.67Å; L175-L178 HydrophobicContact CD2-CB 4.1Å; L175-L178 HydrophobicContact CD2-CD1 4.3Å; L175-L178 HydrophobicContact CD2-CD2 4.35Å; L175-L178 HydrophobicContact CD2-CG 4.49Å; L178-L180 HydrophobicContact CD1-CD2 3.81Å; L178-L180 HydrophobicContact CD1-CG 4.23Å; L178-L180 HydrophobicContact CD2-CD1 4.12Å; L178-L180 HydrophobicContact CD2-CG 4.3Å; L178-L180 HydrophobicContact CG-CD1 4.32Å; L178-L180 HydrophobicContact CG-CD2 4.1Å; L178-L180 HydrophobicContact CG-CG 3.94Å; L178-L203 HydrophobicContact CB-CD1 3.86Å; L178-V205 PolarHBondContact N-O 3.49Å; L178-L206 HydrophobicContact CB-CD1 4.1Å; L178-L206 HydrophobicContact CD2-CD1 3.99Å; L178-L206 HydrophobicContact CG-CD1 4.06Å; L178-L206 WeakPolarHBondContact O-CA 3.34Å; L178-D207 PolarHBondContact O-N 3.44Å
179N98.1Very high93.5Very high36 Ų3641 Ų4119%0.19321%0.212CC..EExtended strand (participates in β ladder)trans-108.1117.4177.8-55.4-30.5000110.3L149 T150 L151 D207L149-N179 PolarHBondContact O-N 3.39Å; T150-N179 HydrophobicContact CG2-CB 4.04Å; T150-N179 PolarHBondContact OG1-ND2 2.91Å; L151-N179 PolarHBondContact N-O 3.41Å; N179-D207 HydrophobicContact CB-CB 4.21Å
180L97.5Very high93.6Very high0 Ų041 Ų410%021%0.212CC..  trans-122.115.4-179-57.2-177000112.4L151 W162 L165 L178 N183 L185 L193 D207 L208 T211L151-L180 HydrophobicContact CB-CD2 4.01Å; L151-L180 HydrophobicContact CD1-CD2 4.3Å; W162-L180 HydrophobicContact CE3-CD2 4.45Å; W162-L180 HydrophobicContact CH2-CD2 4.19Å; W162-L180 HydrophobicContact CZ3-CD2 3.61Å; L165-L180 HydrophobicContact CD2-CD1 4.25Å; L165-L180 HydrophobicContact CD2-CD2 3.79Å; L178-L180 HydrophobicContact CD1-CD2 3.81Å; L178-L180 HydrophobicContact CD1-CG 4.23Å; L178-L180 HydrophobicContact CD2-CD1 4.12Å; L178-L180 HydrophobicContact CD2-CG 4.3Å; L178-L180 HydrophobicContact CG-CD1 4.32Å; L178-L180 HydrophobicContact CG-CD2 4.1Å; L178-L180 HydrophobicContact CG-CG 3.94Å; L180-N183 WeakPolarHBondContact O-CB 3.15Å; L180-N183 PolarHBondContact O-N 3.48Å; L180-N183 PolarHBondContact O-ND2 3.44Å; L180-L185 HydrophobicContact CB-CD1 4.17Å; L180-L185 HydrophobicContact CD1-CD1 4.16Å; L180-L193 HydrophobicContact CD1-CD1 3.81Å; L180-L193 HydrophobicContact CD1-CD2 4.25Å; L180-D207 PolarHBondContact N-O 3.11Å; L180-L208 HydrophobicContact CB-CD2 4.15Å; L180-L208 HydrophobicContact CD1-CD2 4.13Å; L180-T211 WeakPolarHBondContact O-CG2 3.34Å
181D96.9Very high93.8Very high26 Ų2640.9 Ų40.914%0.13921%0.213CC..THydrogen-bonded Turntrans-52.8149-177.754.9-65.9000113.2S152 A153 N183 E209S152-D181 CarbonylContact C-O 3.51Å; S152-D181 WeakPolarHBondContact CA-O 3.38Å; S152-D181 VanDerWaalsContact CB-CG 3.49Å; S152-D181 VanDerWaalsContact CB-OD1 3.27Å; S152-D181 WeakPolarHBondContact CB-OD1 3.5Å; S152-D181 WeakPolarHBondContact CB-OD2 3.36Å; S152-D181 PolarHBondContact OG-OD1 3.33Å; S152-D181 PolarHBondContact OG-OD2 3.31Å; A153-D181 PolarHBondContact N-O 3.07Å; D181-N183 PolarHBondContact O-N 2.94Å; D181-N183 VanDerWaalsContact O-N 3.11Å; D181-N183 PolarHBondContact O-ND2 3.04Å; D181-E209 CarbonylContact C-O 3.4Å; D181-E209 WeakPolarHBondContact CA-O 3.39Å; D181-E209 HydrophobicContact CB-CB 3.95Å
182Y95.9Very high94.2Very high106 Ų10638.3 Ų38.342%0.41620%0.202SC..THydrogen-bonded Turntrans55.127.6-179.6-56.4-80.1000114.9E209 E239Y182-E209 PolarHBondContact N-O 3.22Å; Y182-E209 PolarHBondContact OH-OE1 3.09Å; Y182-E239 WeakPolarHBondContact CE1-OE2 3.24Å; Y182-E239 PolarHBondContact OH-OE2 3.21Å
183N96.1Very high94.7Very high1 Ų138.2 Ų38.21%0.00520%0.201CC..  trans-104.2137.1170.4-72.3-65000111.6L151 N154 W162 L180 D181 L185 T211L151-N183 PolarHBondContact O-ND2 3.25Å; N154-N183 VanDerWaalsContact C-OD1 3.28Å; N154-N183 WeakPolarHBondContact CA-OD1 3.4Å; N154-N183 PolarHBondContact N-OD1 3.1Å; N154-N183 PolarHBondContact O-OD1 3.25Å; W162-N183 HydrophobicContact CH2-CB 4.23Å; W162-N183 HydrophobicContact CZ2-CB 3.67Å; W162-N183 WeakPolarHBondContact CZ2-OD1 3.23Å; L180-N183 WeakPolarHBondContact O-CB 3.15Å; L180-N183 PolarHBondContact O-N 3.48Å; L180-N183 PolarHBondContact O-ND2 3.44Å; D181-N183 PolarHBondContact O-N 2.94Å; D181-N183 VanDerWaalsContact O-N 3.11Å; D181-N183 PolarHBondContact O-ND2 3.04Å; N183-L185 HydrophobicContact CB-CD2 3.91Å; N183-L185 HydrophobicContact CB-CG 4.15Å; N183-L185 PolarHBondContact O-N 3.01Å; N183-T211 CarbonylContact O-C 3.54Å; N183-T211 WeakPolarHBondContact O-CA 3.4Å; N183-T211 VanDerWaalsContact O-CB 3.23Å; N183-T211 WeakPolarHBondContact O-CB 3.2Å; N183-T211 WeakPolarHBondContact O-CG2 3.34Å
184P92.3Very high95.3Very high80 Ų8035.9 Ų35.952%0.51919%0.185SC..  trans-75.573.8178.632.7-35.8000111.4
185L94.6Very high95.6Very high6 Ų638 Ų383%0.03120%0.202CC..  trans-77-48.4-178.3-57.4-177000111.1W162 L180 N183 I189 L193 L208 T211W162-L185 HydrophobicContact CB-CD2 4.26Å; W162-L185 HydrophobicContact CD2-CD2 3.37Å; W162-L185 VanDerWaalsContact CE2-CD2 3.46Å; W162-L185 HydrophobicContact CE3-CD2 3.93Å; W162-L185 HydrophobicContact CG-CD2 3.52Å; W162-L185 HydrophobicContact CZ2-CD2 4.08Å; W162-L185 HydrophobicContact CZ3-CD2 4.5Å; L180-L185 HydrophobicContact CB-CD1 4.17Å; L180-L185 HydrophobicContact CD1-CD1 4.16Å; N183-L185 HydrophobicContact CB-CD2 3.91Å; N183-L185 HydrophobicContact CB-CG 4.15Å; N183-L185 PolarHBondContact O-N 3.01Å; L185-I189 HydrophobicContact CB-CB 4.14Å; L185-I189 HydrophobicContact CB-CG2 4.07Å; L185-I189 HydrophobicContact CD2-CG2 4.18Å; L185-I189 WeakPolarHBondContact O-CB 3.44Å; L185-I189 VanDerWaalsContact O-CG1 3.32Å; L185-I189 WeakPolarHBondContact O-CG1 3.17Å; L185-L193 HydrophobicContact CD1-CD1 3.92Å; L185-L208 HydrophobicContact CD1-CD2 3.78Å; L185-T211 HydrophobicContact CD1-CG2 3.74Å; L185-T211 HydrophobicContact CG-CG2 4.01Å; L185-T211 PolarHBondContact N-O 3.09Å
186G93.3Very high95.6Very high23 Ų2338.1 Ų38.124%0.23720%0.202CC..Hα-helixtrans67.1169.5-172.900000114.3Q188 I189 A190 T211G186-Q188 VanDerWaalsContact C-N 3.26Å; G186-Q188 PolarHBondContact O-N 3.15Å; G186-Q188 VanDerWaalsContact O-N 3.16Å; G186-I189 PolarHBondContact O-N 3.44Å; G186-A190 PolarHBondContact O-N 3.06Å; G186-A190 VanDerWaalsContact O-N 3.11Å; G186-T211 PolarHBondContact N-O 3.3Å
187D94.2Very high95.5Very high56 Ų5633.4 Ų33.430%0.29919%0.185SC..Hα-helixtrans-60.3-31.3-171.7-69.3-27.8000114.3A190 G191 S214 S217D187-A190 PolarHBondContact O-N 3.27Å; D187-G191 PolarHBondContact O-N 3.49Å; D187-S214 VanDerWaalsContact CG-OG 3.28Å; D187-S214 PolarHBondContact OD1-N 3.45Å; D187-S214 PolarHBondContact OD1-OG 2.73Å; D187-S214 WeakPolarHBondContact OD2-CB 3.33Å; D187-S214 PolarHBondContact OD2-OG 3.29Å; D187-S217 VanDerWaalsContact OD1-CB 3.28Å; D187-S217 WeakPolarHBondContact OD1-CB 3.2Å; D187-S217 PolarHBondContact OD1-OG 3.38Å
188Q94.5Very high95.3Very high145 Ų14533 Ų3368%0.67819%0.185SC*.Hα-helixtrans-62.4-48.2179.2-177-1789.900111.5G186 M192G186-Q188 VanDerWaalsContact C-N 3.26Å; G186-Q188 PolarHBondContact O-N 3.15Å; G186-Q188 VanDerWaalsContact O-N 3.16Å; Q188-M192 WeakPolarHBondContact O-CG 3.46Å; Q188-M192 PolarHBondContact O-N 3.48Å
189I96.5Very high95Very high2 Ų236.2 Ų36.21%0.0121%0.207CC..Hα-helixtrans-72.8-36.1-179.6-63.5-55.5000110.4T159 W162 A163 L185 G186 G191 M192 L193T159-I189 HydrophobicContact CG2-CD1 4.49Å; T159-I189 HydrophobicContact CG2-CG1 4.23Å; T159-I189 WeakPolarHBondContact O-CD1 3.31Å; W162-I189 HydrophobicContact CB-CD1 4.14Å; W162-I189 HydrophobicContact CB-CG1 4.13Å; W162-I189 HydrophobicContact CB-CG2 3.61Å; W162-I189 HydrophobicContact CG-CG2 4.41Å; A163-I189 HydrophobicContact CB-CD1 4.24Å; L185-I189 HydrophobicContact CB-CB 4.14Å; L185-I189 HydrophobicContact CB-CG2 4.07Å; L185-I189 HydrophobicContact CD2-CG2 4.18Å; L185-I189 WeakPolarHBondContact O-CB 3.44Å; L185-I189 VanDerWaalsContact O-CG1 3.32Å; L185-I189 WeakPolarHBondContact O-CG1 3.17Å; G186-I189 PolarHBondContact O-N 3.44Å; I189-G191 VanDerWaalsContact C-N 3.31Å; I189-G191 PolarHBondContact O-N 3.33Å; I189-M192 HydrophobicContact CD1-SD 4.06Å; I189-M192 CarbonylContact O-C 3.11Å; I189-M192 WeakPolarHBondContact O-CA 3.46Å; I189-M192 WeakPolarHBondContact O-CB 3.41Å; I189-M192 PolarHBondContact O-N 2.91Å; I189-L193 HydrophobicContact CG2-CD1 4.09Å; I189-L193 HydrophobicContact CG2-CG 4.35Å; I189-L193 WeakPolarHBondContact O-CG 3.45Å; I189-L193 PolarHBondContact O-N 2.87Å
190A95.2Very high94.6Very high0 Ų034.8 Ų34.80%020%0.2CC..Hα-helixtrans-57.1-43.8174.300000112.3G186 D187 M192 L193 A194 L213 F221G186-A190 PolarHBondContact O-N 3.06Å; G186-A190 VanDerWaalsContact O-N 3.11Å; D187-A190 PolarHBondContact O-N 3.27Å; A190-M192 VanDerWaalsContact C-N 3.31Å; A190-M192 PolarHBondContact O-N 3.25Å; A190-L193 PolarHBondContact O-N 3.2Å; A190-A194 PolarHBondContact O-N 3.34Å; A190-L213 HydrophobicContact CB-CD1 4.45Å; A190-L213 HydrophobicContact CB-CD2 3.44Å; A190-L213 VanDerWaalsContact CB-CD2 3.44Å; A190-F221 HydrophobicContact CB-CE2 4.14Å
191G95.8Very high94.1Very high19 Ų1945 Ų4520%0.19624%0.239CC..Hα-helixtrans-61.8-37.6173.600000113.1D187 I189 A194 V195D187-G191 PolarHBondContact O-N 3.49Å; I189-G191 VanDerWaalsContact C-N 3.31Å; I189-G191 PolarHBondContact O-N 3.33Å; G191-A194 PolarHBondContact O-N 3.09Å; G191-V195 WeakPolarHBondContact O-CG2 3.25Å; G191-V195 PolarHBondContact O-N 3.21Å
192M96.4Very high93.8Very high65 Ų6545.2 Ų45.232%0.3224%0.241SC..Hα-helixtrans-66.7-38.8173.9-62.7-176.76700112.2A163 A166 Q188 I189 A190 V195 A196A163-M192 HydrophobicContact CB-CE 3.58Å; A163-M192 HydrophobicContact CB-SD 3.82Å; A166-M192 HydrophobicContact CB-CB 3.99Å; Q188-M192 WeakPolarHBondContact O-CG 3.46Å; Q188-M192 PolarHBondContact O-N 3.48Å; I189-M192 HydrophobicContact CD1-SD 4.06Å; I189-M192 CarbonylContact O-C 3.11Å; I189-M192 WeakPolarHBondContact O-CA 3.46Å; I189-M192 WeakPolarHBondContact O-CB 3.41Å; I189-M192 PolarHBondContact O-N 2.91Å; A190-M192 VanDerWaalsContact C-N 3.31Å; A190-M192 PolarHBondContact O-N 3.25Å; M192-V195 PolarHBondContact O-N 2.64Å; M192-A196 WeakPolarHBondContact O-CB 3.44Å; M192-A196 PolarHBondContact O-N 3.31Å
193L96.2Very high93.8Very high3 Ų340.3 Ų40.32%0.01622%0.222CC..Hα-helixtrans-66.6-39.8175.5-73169.6000111.3A166 L180 L185 I189 A190 V195 A196 V197 L208 F221A166-L193 HydrophobicContact CB-CD2 3.96Å; A166-L193 HydrophobicContact CB-CG 4.38Å; L180-L193 HydrophobicContact CD1-CD1 3.81Å; L180-L193 HydrophobicContact CD1-CD2 4.25Å; L185-L193 HydrophobicContact CD1-CD1 3.92Å; I189-L193 HydrophobicContact CG2-CD1 4.09Å; I189-L193 HydrophobicContact CG2-CG 4.35Å; I189-L193 WeakPolarHBondContact O-CG 3.45Å; I189-L193 PolarHBondContact O-N 2.87Å; A190-L193 PolarHBondContact O-N 3.2Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.06Å; L193-A196 CarbonylContact O-C 3.18Å; L193-A196 WeakPolarHBondContact O-CB 3.42Å; L193-A196 PolarHBondContact O-N 2.93Å; L193-A196 VanDerWaalsContact O-N 3.11Å; L193-V197 WeakPolarHBondContact O-CB 3.47Å; L193-V197 WeakPolarHBondContact O-CG2 3.32Å; L193-V197 PolarHBondContact O-N 2.91Å; L193-L208 HydrophobicContact CD1-CD2 3.92Å; L193-F221 HydrophobicContact CB-CZ 4.31Å
194A95.4Very high93.8Very high2 Ų242.5 Ų42.52%0.01723%0.232CC..Hα-helixtrans-58-45.917400000111.6A190 G191 A196 V197 A198 V220 F221 M224A190-A194 PolarHBondContact O-N 3.34Å; G191-A194 PolarHBondContact O-N 3.09Å; A194-A196 VanDerWaalsContact C-N 3.32Å; A194-A196 PolarHBondContact O-N 2.8Å; A194-V197 PolarHBondContact O-N 3.29Å; A194-A198 WeakPolarHBondContact O-CB 3.22Å; A194-A198 PolarHBondContact O-N 3.18Å; A194-V220 HydrophobicContact CB-CG1 3.72Å; A194-F221 HydrophobicContact CB-CD1 3.84Å; A194-F221 HydrophobicContact CB-CE1 3.72Å; A194-F221 HydrophobicContact CB-CG 4.33Å; A194-F221 HydrophobicContact CB-CZ 4.11Å; A194-M224 HydrophobicContact CB-CB 4.49Å
195V94.3Very high94Very high96 Ų9640.5 Ų40.558%0.58222%0.218SC*.Hα-helixtrans-62.7-39.1174.6175.90000111.8G191 M192 L193 S199G191-V195 WeakPolarHBondContact O-CG2 3.25Å; G191-V195 PolarHBondContact O-N 3.21Å; M192-V195 PolarHBondContact O-N 2.64Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.06Å; V195-S199 PolarHBondContact O-N 3.04Å; V195-S199 VanDerWaalsContact O-N 3.16Å; V195-S199 PolarHBondContact O-OG 3.06Å
196A93.9Very high94.1Very high3 Ų340.2 Ų40.23%0.02522%0.217CC..Hα-helixtrans-65.4-42.5177.300000112.3A166 V169 A170 M192 L193 A194 S199 S200A166-A196 HydrophobicContact CB-CB 4.37Å; A166-A196 WeakPolarHBondContact O-CB 3.48Å; V169-A196 HydrophobicContact CB-CB 4.49Å; V169-A196 HydrophobicContact CG1-CB 4.42Å; A170-A196 HydrophobicContact CB-CB 3.8Å; M192-A196 WeakPolarHBondContact O-CB 3.44Å; M192-A196 PolarHBondContact O-N 3.31Å; L193-A196 CarbonylContact O-C 3.18Å; L193-A196 WeakPolarHBondContact O-CB 3.42Å; L193-A196 PolarHBondContact O-N 2.93Å; L193-A196 VanDerWaalsContact O-N 3.11Å; A194-A196 VanDerWaalsContact C-N 3.32Å; A194-A196 PolarHBondContact O-N 2.8Å; A196-S199 PolarHBondContact O-N 3.24Å; A196-S200 WeakPolarHBondContact O-CB 3.47Å; A196-S200 PolarHBondContact O-N 3.04Å
197V93.8Very high94.3Very high1 Ų140.4 Ų40.41%0.00621%0.212CC..Hα-helixtrans-64.9-43.3177.11740000110.8L193 A194 S199 S200 L203 L206 M224 L232L193-V197 WeakPolarHBondContact O-CB 3.47Å; L193-V197 WeakPolarHBondContact O-CG2 3.32Å; L193-V197 PolarHBondContact O-N 2.91Å; A194-V197 PolarHBondContact O-N 3.29Å; V197-S199 PolarHBondContact O-N 3.29Å; V197-S200 PolarHBondContact O-N 2.93Å; V197-L203 HydrophobicContact CG2-CD2 3.85Å; V197-L206 HydrophobicContact CG2-CD2 3.64Å; V197-M224 HydrophobicContact CB-CE 4.12Å; V197-M224 HydrophobicContact CG1-CE 3.61Å; V197-M224 HydrophobicContact CG1-SD 4.17Å; V197-L232 HydrophobicContact CG1-CB 4.05Å; V197-L232 HydrophobicContact CG1-CD1 4.32Å; V197-L232 HydrophobicContact CG1-CD2 4Å; V197-L232 HydrophobicContact CG1-CG 4.37Å
198A91.9Very high94.5Very high23 Ų2337.8 Ų37.819%0.1920%0.198CC..Hα-helixtrans-60.3-29.4174.700000113A194 M224 Y228A194-A198 WeakPolarHBondContact O-CB 3.22Å; A194-A198 PolarHBondContact O-N 3.18Å; A198-M224 HydrophobicContact CB-CG 3.65Å; A198-M224 HydrophobicContact CB-SD 4.13Å; A198-Y228 HydrophobicContact CB-CG 4.26Å
199S91.5Very high94.6Very high68 Ų6832.9 Ų32.948%0.47618%0.175SC..Hα-helixtrans-87.8-27.2179.1-56.80000112.7V195 A196 V197V195-S199 PolarHBondContact O-N 3.04Å; V195-S199 VanDerWaalsContact O-N 3.16Å; V195-S199 PolarHBondContact O-OG 3.06Å; A196-S199 PolarHBondContact O-N 3.24Å; V197-S199 PolarHBondContact O-N 3.29Å
200S90.1Very high94.5Very high5 Ų533.8 Ų33.84%0.03519%0.185CC..  trans-72.5138.7-179.6-172.10000110.9A196 V197 T202 L203A196-S200 WeakPolarHBondContact O-CB 3.47Å; A196-S200 PolarHBondContact O-N 3.04Å; V197-S200 PolarHBondContact O-N 2.93Å; S200-T202 PolarHBondContact OG-N 3.29Å; S200-L203 PolarHBondContact OG-N 3.32Å
201R87.4Confident94.5Very high216 Ų21633.9 Ų33.982%0.81519%0.186SC*.SBendtrans-11010.7177.5-58.9-175.7-175.9173.20.4113.2C231R201-C231 VanDerWaalsContact C-SG 3.53Å; R201-C231 PolarHBondContact O-SG 3.22Å
202T91.6Very high94.4Very high30 Ų3035.7 Ų35.718%0.18420%0.204CC..SBendtrans-135-18.9-176.3610000114S173 L175 R176 S200 E204S173-T202 VanDerWaalsContact O-CG2 3.31Å; S173-T202 WeakPolarHBondContact O-CG2 3.35Å; L175-T202 CarbonylContact O-C 3.47Å; L175-T202 WeakPolarHBondContact O-CB 3.21Å; L175-T202 PolarHBondContact O-OG1 2.8Å; R176-T202 WeakPolarHBondContact CA-O 3.44Å; S200-T202 PolarHBondContact OG-N 3.29Å; T202-E204 PolarHBondContact O-N 2.96Å
203L94.8Very high94.4Very high2 Ų232.6 Ų32.61%0.0119%0.189CC..  trans-72.9117.8-177.6-168.371.2000109.7V169 L175 L178 V197 S200 L206 C231 L232V169-L203 HydrophobicContact CG1-CD2 4.01Å; L175-L203 HydrophobicContact CD2-CD1 4.24Å; L175-L203 HydrophobicContact CG-CD1 4.17Å; L175-L203 WeakPolarHBondContact O-CA 3.48Å; L175-L203 PolarHBondContact O-N 3.39Å; L178-L203 HydrophobicContact CB-CD1 3.86Å; V197-L203 HydrophobicContact CG2-CD2 3.85Å; S200-L203 PolarHBondContact OG-N 3.32Å; L203-L206 HydrophobicContact CD2-CB 4.47Å; L203-C231 CarbonylContact O-C 3.49Å; L203-L232 WeakPolarHBondContact O-CA 3.42Å; L203-L232 PolarHBondContact O-N 2.87Å; L203-L232 VanDerWaalsContact O-N 3.16Å
204E95.4Very high94.4Very high48 Ų4834.1 Ų34.122%0.22420%0.2CC..  trans-106.3-33.4-175.6-69.7166.6-157.300111.3R176 T202 C231 R233 V234R176-E204 WeakPolarHBondContact CD-OE1 3.18Å; R176-E204 IonicContact CZ-OE1 3.78Å; R176-E204 IonicContact NE-OE1 3.29Å; R176-E204 IonicContact NH1-OE1 2.84Å; R176-E204 PolarHBondContact NH1-OE1 3.1Å; R176-E204 IonicContact NH1-OE2 3.28Å; R176-E204 PolarHBondContact O-N 3.34Å; T202-E204 PolarHBondContact O-N 2.96Å; E204-C231 WeakPolarHBondContact CA-O 3.17Å; E204-R233 PolarHBondContact O-N 3.18Å; E204-V234 PolarHBondContact O-N 3.11Å
205V96.9Very high94.4Very high38 Ų3837.4 Ų37.423%0.2322%0.218CC..EExtended strand (participates in β ladder)trans-130.7126.9-176.9-177.60000109.7R176 V177 L178 V234R176-V205 PolarHBondContact O-N 2.91Å; V177-V205 WeakPolarHBondContact CA-O 3.31Å; V177-V205 HydrophobicContact CB-CB 4.35Å; V177-V205 HydrophobicContact CG1-CB 4.08Å; V177-V205 HydrophobicContact CG1-CG1 4.17Å; V177-V205 HydrophobicContact CG2-CB 4.1Å; V177-V205 HydrophobicContact CG2-CG2 4.22Å; L178-V205 PolarHBondContact N-O 3.49Å; V205-V234 WeakPolarHBondContact CA-O 3.34Å; V205-V234 HydrophobicContact CB-CB 4.45Å; V205-V234 HydrophobicContact CG1-CB 4.13Å; V205-V234 HydrophobicContact CG1-CG1 4.29Å; V205-V234 HydrophobicContact CG2-CB 4.13Å; V205-V234 HydrophobicContact CG2-CG2 4.37Å
206L97.5Very high94.4Very high0 Ų038.8 Ų38.80%022%0.218CC..EExtended strand (participates in β ladder)trans-128.4120.4172.7178.559.6000109.5L178 V197 L203 L208 F221 L232 V234 L235 V236L178-L206 HydrophobicContact CB-CD1 4.1Å; L178-L206 HydrophobicContact CD2-CD1 3.99Å; L178-L206 HydrophobicContact CG-CD1 4.06Å; L178-L206 WeakPolarHBondContact O-CA 3.34Å; V197-L206 HydrophobicContact CG2-CD2 3.64Å; L203-L206 HydrophobicContact CD2-CB 4.47Å; L206-L208 HydrophobicContact CD1-CD2 3.99Å; L206-L208 HydrophobicContact CD1-CG 4.34Å; L206-L208 HydrophobicContact CD2-CD1 4.01Å; L206-L208 HydrophobicContact CD2-CD2 4.4Å; L206-L208 HydrophobicContact CD2-CG 4.21Å; L206-L208 HydrophobicContact CG-CD1 4.28Å; L206-L208 HydrophobicContact CG-CD2 4.14Å; L206-L208 HydrophobicContact CG-CG 3.94Å; L206-F221 HydrophobicContact CD2-CE1 4.22Å; L206-F221 HydrophobicContact CD2-CZ 4.41Å; L206-L232 HydrophobicContact CB-CD1 3.79Å; L206-V234 PolarHBondContact N-O 3.3Å; L206-L235 HydrophobicContact CB-CD1 3.93Å; L206-L235 HydrophobicContact CD2-CD1 3.86Å; L206-L235 HydrophobicContact CG-CD1 3.91Å; L206-L235 WeakPolarHBondContact O-CA 3.46Å; L206-V236 PolarHBondContact O-N 3.22Å
207D97.7Very high94.4Very high27 Ų2738.8 Ų38.814%0.14422%0.217CC..EExtended strand (participates in β ladder)trans-104.3119.5174.6-164.5-23.2000111L178 N179 L180 E209 V236L178-D207 PolarHBondContact O-N 3.44Å; N179-D207 HydrophobicContact CB-CB 4.21Å; L180-D207 PolarHBondContact N-O 3.11Å; D207-E209 VanDerWaalsContact OD1-CB 3.26Å; D207-E209 WeakPolarHBondContact OD1-CB 3.49Å; D207-E209 PolarHBondContact OD1-N 3.16Å; D207-V236 HydrophobicContact CB-CB 4.27Å; D207-V236 HydrophobicContact CB-CG2 4.43Å; D207-V236 WeakPolarHBondContact OD1-CB 3.32Å
208L97Very high94.4Very high0 Ų038.7 Ų38.70%022%0.217CC..  trans-123.824.5177.3-56.7177.1000111.6L180 L185 L193 L206 G210 T211 L213 F221 L235 V236 L237 N240L180-L208 HydrophobicContact CB-CD2 4.15Å; L180-L208 HydrophobicContact CD1-CD2 4.13Å; L185-L208 HydrophobicContact CD1-CD2 3.78Å; L193-L208 HydrophobicContact CD1-CD2 3.92Å; L206-L208 HydrophobicContact CD1-CD2 3.99Å; L206-L208 HydrophobicContact CD1-CG 4.34Å; L206-L208 HydrophobicContact CD2-CD1 4.01Å; L206-L208 HydrophobicContact CD2-CD2 4.4Å; L206-L208 HydrophobicContact CD2-CG 4.21Å; L206-L208 HydrophobicContact CG-CD1 4.28Å; L206-L208 HydrophobicContact CG-CD2 4.14Å; L206-L208 HydrophobicContact CG-CG 3.94Å; L208-G210 PolarHBondContact O-N 3.45Å; L208-T211 HydrophobicContact CB-CG2 4.33Å; L208-T211 WeakPolarHBondContact O-CB 3.4Å; L208-T211 WeakPolarHBondContact O-CG2 3.22Å; L208-T211 PolarHBondContact O-N 2.66Å; L208-T211 PolarHBondContact O-OG1 3.13Å; L208-L213 HydrophobicContact CB-CD1 3.91Å; L208-L213 HydrophobicContact CD1-CD1 3.94Å; L208-F221 HydrophobicContact CD1-CE1 4.41Å; L208-F221 HydrophobicContact CD1-CE2 3.65Å; L208-F221 HydrophobicContact CD1-CZ 3.48Å; L208-F221 VanDerWaalsContact CD1-CZ 3.48Å; L208-L235 HydrophobicContact CD1-CD1 4.1Å; L208-L235 HydrophobicContact CG-CD1 4.46Å; L208-V236 CarbonylContact C-O 3.58Å; L208-V236 WeakPolarHBondContact CA-O 3.26Å; L208-V236 PolarHBondContact N-O 2.78Å; L208-L237 HydrophobicContact CB-CD2 4.25Å; L208-L237 HydrophobicContact CD1-CD2 4.25Å; L208-N240 PolarHBondContact O-ND2 3.35Å
209E96.5Very high94.5Very high42 Ų4241.3 Ų41.320%0.19623%0.225CC..THydrogen-bonded Turntrans-54.7132.4177.8-177.4176.9144.500111.6D181 Y182 D207 T211 V236 A238 E239D181-E209 CarbonylContact C-O 3.4Å; D181-E209 WeakPolarHBondContact CA-O 3.39Å; D181-E209 HydrophobicContact CB-CB 3.95Å; Y182-E209 PolarHBondContact N-O 3.22Å; Y182-E209 PolarHBondContact OH-OE1 3.09Å; D207-E209 VanDerWaalsContact OD1-CB 3.26Å; D207-E209 WeakPolarHBondContact OD1-CB 3.49Å; D207-E209 PolarHBondContact OD1-N 3.16Å; E209-T211 PolarHBondContact O-N 3.1Å; E209-T211 VanDerWaalsContact O-N 3.14Å; E209-V236 HydrophobicContact CB-CG1 4.13Å; E209-A238 CarbonylContact C-O 3.17Å; E209-A238 VanDerWaalsContact CA-O 3.26Å; E209-A238 WeakPolarHBondContact CA-O 3.49Å; E209-A238 HydrophobicContact CG-CB 4.01Å; E209-A238 WeakPolarHBondContact CG-O 3.45Å; E209-E239 HydrophobicContact CG-CB 3.99Å; E209-E239 HydrophobicContact CG-CG 4.03Å
210G95.1Very high94.7Very high22 Ų2240.2 Ų40.223%0.22722%0.215CC..THydrogen-bonded Turntrans62.126.7173.700000115L208 A238 E239L208-G210 PolarHBondContact O-N 3.45Å; G210-A238 PolarHBondContact N-O 3.12Å; G210-E239 WeakPolarHBondContact CA-O 3.05Å
211T95.8Very high95Very high1 Ų140 Ų401%0.00621%0.214CC..SBendtrans-93.18.2-175.158.50000115.4L180 N183 L185 G186 L208 E209 L213 N240L180-T211 WeakPolarHBondContact O-CG2 3.34Å; N183-T211 CarbonylContact O-C 3.54Å; N183-T211 WeakPolarHBondContact O-CA 3.4Å; N183-T211 VanDerWaalsContact O-CB 3.23Å; N183-T211 WeakPolarHBondContact O-CB 3.2Å; N183-T211 WeakPolarHBondContact O-CG2 3.34Å; L185-T211 HydrophobicContact CD1-CG2 3.74Å; L185-T211 HydrophobicContact CG-CG2 4.01Å; L185-T211 PolarHBondContact N-O 3.09Å; G186-T211 PolarHBondContact N-O 3.3Å; L208-T211 HydrophobicContact CB-CG2 4.33Å; L208-T211 WeakPolarHBondContact O-CB 3.4Å; L208-T211 WeakPolarHBondContact O-CG2 3.22Å; L208-T211 PolarHBondContact O-N 2.66Å; L208-T211 PolarHBondContact O-OG1 3.13Å; E209-T211 PolarHBondContact O-N 3.1Å; E209-T211 VanDerWaalsContact O-N 3.14Å; T211-L213 VanDerWaalsContact OG1-CG 3.23Å; T211-L213 WeakPolarHBondContact OG1-CG 3.41Å; T211-N240 PolarHBondContact N-OD1 3.27Å
212G94Very high95.3Very high57 Ų5730 Ų3059%0.58818%0.176SC*.  trans76.631.9177.900000113.3N240G212-N240 PolarHBondContact N-OD1 3.08Å
213L95.8Very high95.4Very high1 Ų133.9 Ų33.91%0.00519%0.192CC..  trans-81.7146.7179.4-55.6-172.3000111.7A190 L208 T211 S217 L237 N240 A241 I242A190-L213 HydrophobicContact CB-CD1 4.45Å; A190-L213 HydrophobicContact CB-CD2 3.44Å; A190-L213 VanDerWaalsContact CB-CD2 3.44Å; L208-L213 HydrophobicContact CB-CD1 3.91Å; L208-L213 HydrophobicContact CD1-CD1 3.94Å; T211-L213 VanDerWaalsContact OG1-CG 3.23Å; T211-L213 WeakPolarHBondContact OG1-CG 3.41Å; L213-S217 WeakPolarHBondContact CB-OG 3.01Å; L213-L237 HydrophobicContact CD1-CD2 3.86Å; L213-N240 HydrophobicContact CB-CB 3.96Å; L213-N240 PolarHBondContact N-OD1 2.8Å; L213-A241 CarbonylContact O-C 3.59Å; L213-A241 WeakPolarHBondContact O-CA 3.26Å; L213-A241 WeakPolarHBondContact O-CB 3.47Å; L213-A241 PolarHBondContact O-N 3.09Å; L213-I242 HydrophobicContact CB-CD1 3.84Å; L213-I242 HydrophobicContact CB-CG1 4.37Å; L213-I242 HydrophobicContact CD1-CD1 4.48Å
214S96.2Very high95.4Very high35 Ų3534.1 Ų34.125%0.24519%0.194CC..BIsolated β-bridgetrans-109.4173.7171.482.90000112D187 Q216 S217 A218 A241D187-S214 VanDerWaalsContact CG-OG 3.28Å; D187-S214 PolarHBondContact OD1-N 3.45Å; D187-S214 PolarHBondContact OD1-OG 2.73Å; D187-S214 WeakPolarHBondContact OD2-CB 3.33Å; D187-S214 PolarHBondContact OD2-OG 3.29Å; S214-Q216 PolarHBondContact O-N 2.94Å; S214-Q216 WeakPolarHBondContact OG-CB 3.46Å; S214-Q216 PolarHBondContact OG-N 2.94Å; S214-Q216 VanDerWaalsContact OG-N 3.11Å; S214-S217 PolarHBondContact N-OG 3.17Å; S214-S217 PolarHBondContact O-N 2.66Å; S214-S217 VanDerWaalsContact O-N 3.11Å; S214-S217 PolarHBondContact O-OG 3.17Å; S214-A218 PolarHBondContact O-N 2.99Å; S214-A241 CarbonylContact C-O 3.59Å; S214-A241 WeakPolarHBondContact CA-O 3.36Å
215N94.6Very high95.3Very high71 Ų7133 Ų3338%0.3819%0.19SC..Hα-helixtrans-50.7-27.7169.4-75-37.7000113.6A218 Q219 A241 I242 S243 L246N215-A218 PolarHBondContact O-N 3.2Å; N215-Q219 VanDerWaalsContact O-CG 3.25Å; N215-Q219 WeakPolarHBondContact O-CG 3.45Å; N215-Q219 PolarHBondContact O-N 3.37Å; N215-A241 PolarHBondContact N-O 2.96Å; N215-I242 VanDerWaalsContact OD1-CA 3.31Å; N215-I242 WeakPolarHBondContact OD1-CA 3.38Å; N215-S243 PolarHBondContact OD1-N 3.26Å; N215-L246 HydrophobicContact CB-CD2 4.4Å
216Q94.3Very high95Very high125 Ų12536 Ų3658%0.58420%0.201SC*.Hα-helixtrans-64.1-43179-176.558.96300112.3S214 V220S214-Q216 PolarHBondContact O-N 2.94Å; S214-Q216 WeakPolarHBondContact OG-CB 3.46Å; S214-Q216 PolarHBondContact OG-N 2.94Å; S214-Q216 VanDerWaalsContact OG-N 3.11Å; Q216-V220 WeakPolarHBondContact O-CG2 3.11Å; Q216-V220 PolarHBondContact O-N 3.34Å
217S93.9Very high94.7Very high2 Ų241.2 Ų41.21%0.01423%0.23CC..Hα-helixtrans-74.6-35.217844.40000111.8D187 L213 S214 Q219 V220 F221D187-S217 VanDerWaalsContact OD1-CB 3.28Å; D187-S217 WeakPolarHBondContact OD1-CB 3.2Å; D187-S217 PolarHBondContact OD1-OG 3.38Å; L213-S217 WeakPolarHBondContact CB-OG 3.01Å; S214-S217 PolarHBondContact N-OG 3.17Å; S214-S217 PolarHBondContact O-N 2.66Å; S214-S217 VanDerWaalsContact O-N 3.11Å; S214-S217 PolarHBondContact O-OG 3.17Å; S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 2.89Å; S217-V220 WeakPolarHBondContact O-CB 3.45Å; S217-V220 PolarHBondContact O-N 3.04Å; S217-V220 VanDerWaalsContact O-N 3.11Å; S217-F221 VanDerWaalsContact O-CD2 3.28Å; S217-F221 WeakPolarHBondContact O-CD2 3.5Å; S217-F221 PolarHBondContact O-N 2.83Å
218A93.8Very high94.3Very high0 Ų046.6 Ų46.60%025%0.249CC..Hα-helixtrans-60.3-40.6172.300000112.3S214 N215 V220 F221 L222 I242 L246 I250S214-A218 PolarHBondContact O-N 2.99Å; N215-A218 PolarHBondContact O-N 3.2Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 2.84Å; A218-F221 PolarHBondContact O-N 2.83Å; A218-L222 WeakPolarHBondContact O-CB 3.26Å; A218-L222 PolarHBondContact O-N 3.44Å; A218-I242 HydrophobicContact CB-CB 4.41Å; A218-I242 HydrophobicContact CB-CD1 3.92Å; A218-I242 HydrophobicContact CB-CG1 3.98Å; A218-I242 HydrophobicContact CB-CG2 3.5Å; A218-L246 HydrophobicContact CB-CD2 3.39Å; A218-L246 HydrophobicContact CB-CG 3.87Å; A218-I250 HydrophobicContact CB-CD1 4.33Å; A218-I250 WeakPolarHBondContact O-CD1 3.46Å
219Q95.4Very high93.7Very high78 Ų7852.4 Ų52.436%0.36429%0.287SS..Hα-helixtrans-61.1-38.2172.9-70.6-66.6-26.500112.2N215 S217 L222 E223 L246N215-Q219 VanDerWaalsContact O-CG 3.25Å; N215-Q219 WeakPolarHBondContact O-CG 3.45Å; N215-Q219 PolarHBondContact O-N 3.37Å; S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 2.89Å; Q219-L222 WeakPolarHBondContact O-CB 3.18Å; Q219-L222 PolarHBondContact O-N 2.92Å; Q219-E223 WeakPolarHBondContact O-CG 3.12Å; Q219-E223 PolarHBondContact O-N 3.08Å; Q219-L246 HydrophobicContact CG-CD2 4.08Å; Q219-L246 VanDerWaalsContact NE2-CD1 3.34Å
220V95.9Very high93.2Very high44 Ų4452.2 Ų52.227%0.26729%0.288SS..Hα-helixtrans-65.7-39.4175.7175.60000111.5A194 Q216 S217 A218 M224A194-V220 HydrophobicContact CB-CG1 3.72Å; Q216-V220 WeakPolarHBondContact O-CG2 3.11Å; Q216-V220 PolarHBondContact O-N 3.34Å; S217-V220 WeakPolarHBondContact O-CB 3.45Å; S217-V220 PolarHBondContact O-N 3.04Å; S217-V220 VanDerWaalsContact O-N 3.11Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 2.84Å; V220-M224 VanDerWaalsContact O-CB 3.28Å; V220-M224 WeakPolarHBondContact O-CB 3.27Å; V220-M224 PolarHBondContact O-N 3.03Å
221F95.1Very high93Very high0 Ų053.9 Ų53.90%030%0.295CS..Hα-helixtrans-66.5-39.4173.2-80.2-71.4000112A190 L193 A194 L206 L208 S217 A218 M224 V225 L235 I250A190-F221 HydrophobicContact CB-CE2 4.14Å; L193-F221 HydrophobicContact CB-CZ 4.31Å; A194-F221 HydrophobicContact CB-CD1 3.84Å; A194-F221 HydrophobicContact CB-CE1 3.72Å; A194-F221 HydrophobicContact CB-CG 4.33Å; A194-F221 HydrophobicContact CB-CZ 4.11Å; L206-F221 HydrophobicContact CD2-CE1 4.22Å; L206-F221 HydrophobicContact CD2-CZ 4.41Å; L208-F221 HydrophobicContact CD1-CE1 4.41Å; L208-F221 HydrophobicContact CD1-CE2 3.65Å; L208-F221 HydrophobicContact CD1-CZ 3.48Å; L208-F221 VanDerWaalsContact CD1-CZ 3.48Å; S217-F221 VanDerWaalsContact O-CD2 3.28Å; S217-F221 WeakPolarHBondContact O-CD2 3.5Å; S217-F221 PolarHBondContact O-N 2.83Å; A218-F221 PolarHBondContact O-N 2.83Å; F221-M224 HydrophobicContact CD1-CE 3.93Å; F221-M224 WeakPolarHBondContact O-CB 3.48Å; F221-M224 PolarHBondContact O-N 3.03Å; F221-V225 WeakPolarHBondContact O-CG2 3.44Å; F221-V225 PolarHBondContact O-N 3.13Å; F221-L235 HydrophobicContact CB-CD2 3.95Å; F221-L235 HydrophobicContact CD1-CD2 3.81Å; F221-L235 HydrophobicContact CD2-CD2 4.43Å; F221-L235 HydrophobicContact CE1-CD1 4.47Å; F221-L235 HydrophobicContact CE1-CD2 4.44Å; F221-L235 HydrophobicContact CG-CD2 3.82Å; F221-I250 HydrophobicContact CB-CD1 4.28Å
222L94.6Very high92.9Very high7 Ų754.1 Ų54.14%0.03730%0.297CS..Hα-helixtrans-60.4-53.1175.2179.866.6000111.2A218 Q219 M224 V225 E226 L246 Q249 I250 L253A218-L222 WeakPolarHBondContact O-CB 3.26Å; A218-L222 PolarHBondContact O-N 3.44Å; Q219-L222 WeakPolarHBondContact O-CB 3.18Å; Q219-L222 PolarHBondContact O-N 2.92Å; L222-M224 PolarHBondContact O-N 2.86Å; L222-V225 PolarHBondContact O-N 3.28Å; L222-V225 VanDerWaalsContact O-N 3.14Å; L222-E226 HydrophobicContact CD1-CG 4.29Å; L222-E226 HydrophobicContact CG-CG 4.47Å; L222-E226 WeakPolarHBondContact O-CG 3.37Å; L222-E226 PolarHBondContact O-N 2.71Å; L222-L246 HydrophobicContact CB-CD1 4.49Å; L222-L246 HydrophobicContact CD2-CD1 3.77Å; L222-Q249 HydrophobicContact CD1-CG 3.9Å; L222-I250 HydrophobicContact CB-CD1 4.3Å; L222-I250 HydrophobicContact CB-CG1 3.91Å; L222-I250 HydrophobicContact CD1-CG1 3.91Å; L222-L253 HydrophobicContact CD1-CD1 3.48Å; L222-L253 VanDerWaalsContact CD1-CD1 3.48Å
223E93.6Very high92.8Very high111 Ų11157.5 Ų57.552%0.51929%0.292SS..Hα-helixtrans-57.8-35.4176.3-73.7178.9-174.600111.8Q219 N227Q219-E223 WeakPolarHBondContact O-CG 3.12Å; Q219-E223 PolarHBondContact O-N 3.08Å; E223-N227 VanDerWaalsContact O-CB 3.3Å; E223-N227 WeakPolarHBondContact O-CB 3.39Å; E223-N227 PolarHBondContact O-N 3.22Å; E223-N227 VanDerWaalsContact O-N 3.1Å; E223-N227 PolarHBondContact O-ND2 3.31Å
224M94.3Very high92.7Very high8 Ų860.6 Ų60.64%0.03931%0.311CS..Hα-helixtrans-64.1-49.9176.5-178.5-83.1-63.600111.5A194 V197 A198 V220 F221 L222 N227 Y228 T230 L232A194-M224 HydrophobicContact CB-CB 4.49Å; V197-M224 HydrophobicContact CB-CE 4.12Å; V197-M224 HydrophobicContact CG1-CE 3.61Å; V197-M224 HydrophobicContact CG1-SD 4.17Å; A198-M224 HydrophobicContact CB-CG 3.65Å; A198-M224 HydrophobicContact CB-SD 4.13Å; V220-M224 VanDerWaalsContact O-CB 3.28Å; V220-M224 WeakPolarHBondContact O-CB 3.27Å; V220-M224 PolarHBondContact O-N 3.03Å; F221-M224 HydrophobicContact CD1-CE 3.93Å; F221-M224 WeakPolarHBondContact O-CB 3.48Å; F221-M224 PolarHBondContact O-N 3.03Å; L222-M224 PolarHBondContact O-N 2.86Å; M224-N227 PolarHBondContact O-N 3.33Å; M224-Y228 WeakPolarHBondContact O-CB 3.24Å; M224-Y228 PolarHBondContact O-N 3.2Å; M224-T230 HydrophobicContact SD-CG2 4.46Å; M224-L232 HydrophobicContact CE-CD2 4.36Å
225V92.6Very high92.7Very high23 Ų2360.2 Ų60.214%0.13931%0.306CS..Hα-helixtrans-66.5-37.2-179.6176.10000111.4F221 L222 L253 L254F221-V225 WeakPolarHBondContact O-CG2 3.44Å; F221-V225 PolarHBondContact O-N 3.13Å; L222-V225 PolarHBondContact O-N 3.28Å; L222-V225 VanDerWaalsContact O-N 3.14Å; V225-L253 HydrophobicContact CG1-CB 3.87Å; V225-L254 HydrophobicContact CG1-CD2 3.87Å; V225-L254 HydrophobicContact CG1-CG 4.16Å; V225-L254 HydrophobicContact CG2-CD2 3.8Å; V225-L254 HydrophobicContact CG2-CG 4.28Å
226E91.8Very high92.8Very high101 Ų10158.6 Ų58.647%0.47230%0.298SS..Hα-helixtrans-70.5-36179.6-72.8179.916400113.4L222 L253L222-E226 HydrophobicContact CD1-CG 4.29Å; L222-E226 HydrophobicContact CG-CG 4.47Å; L222-E226 WeakPolarHBondContact O-CG 3.37Å; L222-E226 PolarHBondContact O-N 2.71Å; E226-L253 HydrophobicContact CG-CD1 3.65Å
227N90.3Very high92.8Very high111 Ų11153 Ų5359%0.59427%0.273SS*.Hα-helixtrans-108.7-13.5-167.8-63.2-71.4000114.6E223 M224E223-N227 VanDerWaalsContact O-CB 3.3Å; E223-N227 WeakPolarHBondContact O-CB 3.39Å; E223-N227 PolarHBondContact O-N 3.22Å; E223-N227 VanDerWaalsContact O-N 3.1Å; E223-N227 PolarHBondContact O-ND2 3.31Å; M224-N227 PolarHBondContact O-N 3.33Å
228Y89.3Confident92.8Very high140 Ų14054.7 Ų54.755%0.54929%0.286SS..SBendtrans-128.1135-175.3-60.5-90.6000111.5A198 M224 T230A198-Y228 HydrophobicContact CB-CG 4.26Å; M224-Y228 WeakPolarHBondContact O-CB 3.24Å; M224-Y228 PolarHBondContact O-N 3.2Å; Y228-T230 PolarHBondContact O-N 3.1Å
229P84.1Confident92.7Very high122 Ų12261.1 Ų61.179%0.79232%0.316SS*.  trans-66124.4173.328.3-33000109.2
230T87.8Confident92.7Very high38 Ų3858.5 Ų58.523%0.23331%0.305CS..  trans-128.7151.3179.5-172.40000110.4M224 Y228 L232 L254M224-T230 HydrophobicContact SD-CG2 4.46Å; Y228-T230 PolarHBondContact O-N 3.1Å; T230-L232 VanDerWaalsContact C-N 3.27Å; T230-L232 HydrophobicContact CG2-CB 3.97Å; T230-L232 WeakPolarHBondContact OG1-CB 3.47Å; T230-L232 PolarHBondContact OG1-N 2.91Å; T230-L232 VanDerWaalsContact OG1-N 3.14Å; T230-L254 HydrophobicContact CG2-CD2 4.42Å
231C90.1Very high92.7Very high56 Ų5660 Ų6038%0.37832%0.321SS..  trans-88.80.6168.5-63.30000112.2R201 L203 E204 R233R201-C231 VanDerWaalsContact C-SG 3.53Å; R201-C231 PolarHBondContact O-SG 3.22Å; L203-C231 CarbonylContact O-C 3.49Å; E204-C231 WeakPolarHBondContact CA-O 3.17Å; C231-R233 PolarHBondContact O-N 3.36Å
232L93.1Very high92.6Very high7 Ų760.7 Ų60.74%0.03733%0.325CS..  trans-65129.9179.6-167.775.4000109.2V197 L203 L206 M224 T230 L235 L254V197-L232 HydrophobicContact CG1-CB 4.05Å; V197-L232 HydrophobicContact CG1-CD1 4.32Å; V197-L232 HydrophobicContact CG1-CD2 4Å; V197-L232 HydrophobicContact CG1-CG 4.37Å; L203-L232 WeakPolarHBondContact O-CA 3.42Å; L203-L232 PolarHBondContact O-N 2.87Å; L203-L232 VanDerWaalsContact O-N 3.16Å; L206-L232 HydrophobicContact CB-CD1 3.79Å; M224-L232 HydrophobicContact CE-CD2 4.36Å; T230-L232 VanDerWaalsContact C-N 3.27Å; T230-L232 HydrophobicContact CG2-CB 3.97Å; T230-L232 WeakPolarHBondContact OG1-CB 3.47Å; T230-L232 PolarHBondContact OG1-N 2.91Å; T230-L232 VanDerWaalsContact OG1-N 3.14Å; L232-L235 HydrophobicContact CD2-CB 3.93Å; L232-L235 HydrophobicContact CD2-CD1 4.39Å; L232-L235 HydrophobicContact CD2-CD2 4.45Å; L232-L235 HydrophobicContact CD2-CG 4.47Å; L232-L254 HydrophobicContact CB-CD2 4.13Å; L232-L254 HydrophobicContact CD2-CD1 4.23Å; L232-L254 HydrophobicContact CD2-CD2 4.11Å; L232-L254 HydrophobicContact CG-CD2 4.23Å; L232-L254 WeakPolarHBondContact O-CD2 3.5Å
233R92.1Very high92.6Very high128 Ų12862.1 Ų62.148%0.48334%0.336SS..  trans-116-35.2177.8-62.9176.962.51736.2111.2E204 C231 E258E204-R233 PolarHBondContact O-N 3.18Å; C231-R233 PolarHBondContact O-N 3.36Å; R233-E258 IonicContact CZ-OE1 3.37Å; R233-E258 IonicContact NE-OE1 2.65Å; R233-E258 PolarHBondContact NE-OE1 3.24Å; R233-E258 IonicContact NH2-OE1 3.15Å; R233-E258 PolarHBondContact NH2-OE1 3.39Å; R233-E258 IonicContact NH2-OE2 3.57Å; R233-E258 PolarHBondContact NH2-OE2 3.44Å; R233-E258 VanDerWaalsContact NH2-OE2 3.15Å
234V95Very high92.6Very high66 Ų6660.5 Ų60.540%0.434%0.335SS..EExtended strand (participates in β ladder)trans-127.8120.4-177-1770000109.4E204 V205 L206 V236E204-V234 PolarHBondContact O-N 3.11Å; V205-V234 WeakPolarHBondContact CA-O 3.34Å; V205-V234 HydrophobicContact CB-CB 4.45Å; V205-V234 HydrophobicContact CG1-CB 4.13Å; V205-V234 HydrophobicContact CG1-CG1 4.29Å; V205-V234 HydrophobicContact CG2-CB 4.13Å; V205-V234 HydrophobicContact CG2-CG2 4.37Å; L206-V234 PolarHBondContact N-O 3.3Å; V234-V236 HydrophobicContact CG1-CG2 4.04Å
235L96.1Very high92.6Very high26 Ų2666.4 Ų66.414%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-120.8109.7170.5-176.560.9000109.2L206 L208 F221 L232 L237 I250 L254L206-L235 HydrophobicContact CB-CD1 3.93Å; L206-L235 HydrophobicContact CD2-CD1 3.86Å; L206-L235 HydrophobicContact CG-CD1 3.91Å; L206-L235 WeakPolarHBondContact O-CA 3.46Å; L208-L235 HydrophobicContact CD1-CD1 4.1Å; L208-L235 HydrophobicContact CG-CD1 4.46Å; F221-L235 HydrophobicContact CB-CD2 3.95Å; F221-L235 HydrophobicContact CD1-CD2 3.81Å; F221-L235 HydrophobicContact CD2-CD2 4.43Å; F221-L235 HydrophobicContact CE1-CD1 4.47Å; F221-L235 HydrophobicContact CE1-CD2 4.44Å; F221-L235 HydrophobicContact CG-CD2 3.82Å; L232-L235 HydrophobicContact CD2-CB 3.93Å; L232-L235 HydrophobicContact CD2-CD1 4.39Å; L232-L235 HydrophobicContact CD2-CD2 4.45Å; L232-L235 HydrophobicContact CD2-CG 4.47Å; L235-L237 HydrophobicContact CD1-CD2 4.34Å; L235-L237 HydrophobicContact CD2-CD1 3.9Å; L235-L237 HydrophobicContact CD2-CD2 4.23Å; L235-L237 HydrophobicContact CD2-CG 4.14Å; L235-L237 HydrophobicContact CG-CD1 4.2Å; L235-L237 HydrophobicContact CG-CD2 4.09Å; L235-L237 HydrophobicContact CG-CG 3.92Å; L235-I250 HydrophobicContact CD2-CG2 4.01Å; L235-L254 HydrophobicContact CB-CD1 3.78Å
236V95.9Very high92.6Very high38 Ų3865.6 Ų65.623%0.2336%0.357CS..EExtended strand (participates in β ladder)trans-89.8118.3178-173.10000109.1L206 D207 L208 E209 V234 A238L206-V236 PolarHBondContact O-N 3.22Å; D207-V236 HydrophobicContact CB-CB 4.27Å; D207-V236 HydrophobicContact CB-CG2 4.43Å; D207-V236 WeakPolarHBondContact OD1-CB 3.32Å; L208-V236 CarbonylContact C-O 3.58Å; L208-V236 WeakPolarHBondContact CA-O 3.26Å; L208-V236 PolarHBondContact N-O 2.78Å; E209-V236 HydrophobicContact CB-CG1 4.13Å; V234-V236 HydrophobicContact CG1-CG2 4.04Å; V236-A238 HydrophobicContact CG1-CB 4.3Å
237L94.6Very high92.6Very high8 Ų863.3 Ų63.34%0.04235%0.346CS..  trans-120.711.2-179.1-64.9173.5000112.9L208 L213 L235 N240 I242 Q247 I250L208-L237 HydrophobicContact CB-CD2 4.25Å; L208-L237 HydrophobicContact CD1-CD2 4.25Å; L213-L237 HydrophobicContact CD1-CD2 3.86Å; L235-L237 HydrophobicContact CD1-CD2 4.34Å; L235-L237 HydrophobicContact CD2-CD1 3.9Å; L235-L237 HydrophobicContact CD2-CD2 4.23Å; L235-L237 HydrophobicContact CD2-CG 4.14Å; L235-L237 HydrophobicContact CG-CD1 4.2Å; L235-L237 HydrophobicContact CG-CD2 4.09Å; L235-L237 HydrophobicContact CG-CG 3.92Å; L237-N240 WeakPolarHBondContact O-CB 3.3Å; L237-N240 PolarHBondContact O-ND2 3.4Å; L237-I242 HydrophobicContact CB-CD1 3.98Å; L237-I242 HydrophobicContact CD1-CD1 4.27Å; L237-I242 HydrophobicContact CD2-CD1 4.12Å; L237-I242 HydrophobicContact CG-CD1 4.35Å; L237-Q247 HydrophobicContact CB-CG 4.13Å; L237-Q247 PolarHBondContact O-NE2 2.77Å; L237-I250 HydrophobicContact CD1-CD1 3.87Å
238A93.3Very high92.7Very high36 Ų3663.5 Ų63.530%0.29834%0.344SS..THydrogen-bonded Turntrans-56.4160.818000000112.1E209 G210 V236 N240E209-A238 CarbonylContact C-O 3.17Å; E209-A238 VanDerWaalsContact CA-O 3.26Å; E209-A238 WeakPolarHBondContact CA-O 3.49Å; E209-A238 HydrophobicContact CG-CB 4.01Å; E209-A238 WeakPolarHBondContact CG-O 3.45Å; G210-A238 PolarHBondContact N-O 3.12Å; V236-A238 HydrophobicContact CG1-CB 4.3Å; A238-N240 PolarHBondContact O-N 3.03Å; A238-N240 PolarHBondContact O-ND2 3.31Å
239E92.9Very high93Very high135 Ų13561 Ų6163%0.63134%0.337SS*.THydrogen-bonded Turntrans54.424.5178.8-53.4-155164.700116Y182 E209 G210Y182-E239 WeakPolarHBondContact CE1-OE2 3.24Å; Y182-E239 PolarHBondContact OH-OE2 3.21Å; E209-E239 HydrophobicContact CG-CB 3.99Å; E209-E239 HydrophobicContact CG-CG 4.03Å; G210-E239 WeakPolarHBondContact CA-O 3.05Å
240N94.7Very high93.4Very high24 Ų2455.2 Ų55.213%0.12830%0.3CS..SBendtrans-109.5169.2172.7-72-67000112L208 T211 G212 L213 L237 A238 I242L208-N240 PolarHBondContact O-ND2 3.35Å; T211-N240 PolarHBondContact N-OD1 3.27Å; G212-N240 PolarHBondContact N-OD1 3.08Å; L213-N240 HydrophobicContact CB-CB 3.96Å; L213-N240 PolarHBondContact N-OD1 2.8Å; L237-N240 WeakPolarHBondContact O-CB 3.3Å; L237-N240 PolarHBondContact O-ND2 3.4Å; A238-N240 PolarHBondContact O-N 3.03Å; A238-N240 PolarHBondContact O-ND2 3.31Å; N240-I242 HydrophobicContact CB-CD1 3.74Å; N240-I242 HydrophobicContact CB-CG1 3.95Å; N240-I242 PolarHBondContact O-N 3.36Å
241A94.8Very high93.6Very high74 Ų7456.5 Ų56.561%0.61231%0.31SS*.BIsolated β-bridgetrans-81.851.2174.100000111.7L213 S214 N215L213-A241 CarbonylContact O-C 3.59Å; L213-A241 WeakPolarHBondContact O-CA 3.26Å; L213-A241 WeakPolarHBondContact O-CB 3.47Å; L213-A241 PolarHBondContact O-N 3.09Å; S214-A241 CarbonylContact C-O 3.59Å; S214-A241 WeakPolarHBondContact CA-O 3.36Å; N215-A241 PolarHBondContact N-O 2.96Å
242I94.6Very high93.6Very high15 Ų1557.8 Ų57.88%0.07731%0.313CS..  trans-115.3140-178.7-58.2165.4000108.7L213 N215 A218 L237 N240 L246 Q247L213-I242 HydrophobicContact CB-CD1 3.84Å; L213-I242 HydrophobicContact CB-CG1 4.37Å; L213-I242 HydrophobicContact CD1-CD1 4.48Å; N215-I242 VanDerWaalsContact OD1-CA 3.31Å; N215-I242 WeakPolarHBondContact OD1-CA 3.38Å; A218-I242 HydrophobicContact CB-CB 4.41Å; A218-I242 HydrophobicContact CB-CD1 3.92Å; A218-I242 HydrophobicContact CB-CG1 3.98Å; A218-I242 HydrophobicContact CB-CG2 3.5Å; L237-I242 HydrophobicContact CB-CD1 3.98Å; L237-I242 HydrophobicContact CD1-CD1 4.27Å; L237-I242 HydrophobicContact CD2-CD1 4.12Å; L237-I242 HydrophobicContact CG-CD1 4.35Å; N240-I242 HydrophobicContact CB-CD1 3.74Å; N240-I242 HydrophobicContact CB-CG1 3.95Å; N240-I242 PolarHBondContact O-N 3.36Å; I242-L246 HydrophobicContact CG2-CB 4.25Å; I242-L246 HydrophobicContact CG2-CD2 4.28Å; I242-L246 HydrophobicContact CG2-CG 4.44Å; I242-Q247 HydrophobicContact CB-CG 4.22Å; I242-Q247 HydrophobicContact CG2-CG 3.66Å
243S94.6Very high93.6Very high37 Ų3760 Ų6026%0.25933%0.325SS..  trans-70.4141.1177.483.30000110.8N215 E245 L246 Q247N215-S243 PolarHBondContact OD1-N 3.26Å; S243-E245 VanDerWaalsContact CB-OE2 3.24Å; S243-E245 WeakPolarHBondContact CB-OE2 3.47Å; S243-E245 PolarHBondContact O-N 3.41Å; S243-E245 PolarHBondContact OG-OE2 3.33Å; S243-L246 PolarHBondContact O-N 3.5Å; S243-L246 VanDerWaalsContact O-N 3.1Å; S243-L246 PolarHBondContact OG-N 2.9Å; S243-Q247 PolarHBondContact O-N 3.1Å
244P92.9Very high93.4Very high78 Ų7854.5 Ų54.551%0.50631%0.305SS..Hα-helixtrans-62.2-30.1-177.825.2-33.5000112L246 Q247 Q248P244-L246 VanDerWaalsContact C-N 3.32Å; P244-L246 PolarHBondContact O-N 2.85Å; P244-Q247 PolarHBondContact O-N 3.18Å; P244-Q248 WeakPolarHBondContact O-CB 3.34Å; P244-Q248 VanDerWaalsContact O-CG 3.3Å; P244-Q248 WeakPolarHBondContact O-CG 3.43Å; P244-Q248 PolarHBondContact O-N 3.25Å
245E93.4Very high92.9Very high131 Ų13154.2 Ų54.261%0.61231%0.306SS*.Hα-helixtrans-62.8-41176.4-57.175.1-160.800111.5S243 Q248 Q249S243-E245 VanDerWaalsContact CB-OE2 3.24Å; S243-E245 WeakPolarHBondContact CB-OE2 3.47Å; S243-E245 PolarHBondContact O-N 3.41Å; S243-E245 PolarHBondContact OG-OE2 3.33Å; E245-Q248 PolarHBondContact O-N 2.85Å; E245-Q249 WeakPolarHBondContact O-CB 3.47Å; E245-Q249 PolarHBondContact O-N 3Å
246L92.9Very high92Very high6 Ų658.9 Ų58.93%0.03133%0.327CS..Hα-helixtrans-73-36.3-179.5-173.457000111.4N215 A218 Q219 L222 I242 S243 P244 I250N215-L246 HydrophobicContact CB-CD2 4.4Å; A218-L246 HydrophobicContact CB-CD2 3.39Å; A218-L246 HydrophobicContact CB-CG 3.87Å; Q219-L246 HydrophobicContact CG-CD2 4.08Å; Q219-L246 VanDerWaalsContact NE2-CD1 3.34Å; L222-L246 HydrophobicContact CB-CD1 4.49Å; L222-L246 HydrophobicContact CD2-CD1 3.77Å; I242-L246 HydrophobicContact CG2-CB 4.25Å; I242-L246 HydrophobicContact CG2-CD2 4.28Å; I242-L246 HydrophobicContact CG2-CG 4.44Å; S243-L246 PolarHBondContact O-N 3.5Å; S243-L246 VanDerWaalsContact O-N 3.1Å; S243-L246 PolarHBondContact OG-N 2.9Å; P244-L246 VanDerWaalsContact C-N 3.32Å; P244-L246 PolarHBondContact O-N 2.85Å; L246-I250 WeakPolarHBondContact O-CG1 3.36Å; L246-I250 PolarHBondContact O-N 2.68Å; L246-I250 VanDerWaalsContact O-N 3.16Å
247Q92.3Very high90.3Very high53 Ų5359.1 Ų59.125%0.24834%0.338CS..Hα-helixtrans-62.9-45172.6-66.1-179.6-4.200111.6L237 I242 S243 P244 I250 S251L237-Q247 HydrophobicContact CB-CG 4.13Å; L237-Q247 PolarHBondContact O-NE2 2.77Å; I242-Q247 HydrophobicContact CB-CG 4.22Å; I242-Q247 HydrophobicContact CG2-CG 3.66Å; S243-Q247 PolarHBondContact O-N 3.1Å; P244-Q247 PolarHBondContact O-N 3.18Å; Q247-I250 PolarHBondContact O-N 2.72Å; Q247-S251 WeakPolarHBondContact O-CB 3.37Å; Q247-S251 PolarHBondContact O-N 2.84Å
248Q92.8Very high88.5Confident116 Ų11662 Ų6254%0.54235%0.351SS..Hα-helixtrans-63.3-45.2177.3-72.4-63.7-20.700111.4P244 E245 I250 S251 D252P244-Q248 WeakPolarHBondContact O-CB 3.34Å; P244-Q248 VanDerWaalsContact O-CG 3.3Å; P244-Q248 WeakPolarHBondContact O-CG 3.43Å; P244-Q248 PolarHBondContact O-N 3.25Å; E245-Q248 PolarHBondContact O-N 2.85Å; Q248-I250 VanDerWaalsContact C-N 3.3Å; Q248-I250 PolarHBondContact O-N 3.23Å; Q248-S251 WeakPolarHBondContact O-CB 3.22Å; Q248-S251 PolarHBondContact O-N 2.65Å; Q248-D252 VanDerWaalsContact O-CG 3.27Å; Q248-D252 PolarHBondContact O-N 3.41Å
249Q94.3Very high86.5Confident86 Ų8666.4 Ų66.440%0.40237%0.365SS..Hα-helixtrans-56.7-42.8177.5-173.3-179.7-4.200112.6L222 E245 L253L222-Q249 HydrophobicContact CD1-CG 3.9Å; E245-Q249 WeakPolarHBondContact O-CB 3.47Å; E245-Q249 PolarHBondContact O-N 3Å; Q249-L253 WeakPolarHBondContact O-CG 3.49Å; Q249-L253 PolarHBondContact O-N 3.28Å
250I93.1Very high84.6Confident2 Ų265 Ų651%0.0136%0.362CS..Hα-helixtrans-66.6-42.9176.1-64.9163.7000110.9A218 F221 L222 L235 L237 L246 Q247 Q248 D252 L253 L254A218-I250 HydrophobicContact CB-CD1 4.33Å; A218-I250 WeakPolarHBondContact O-CD1 3.46Å; F221-I250 HydrophobicContact CB-CD1 4.28Å; L222-I250 HydrophobicContact CB-CD1 4.3Å; L222-I250 HydrophobicContact CB-CG1 3.91Å; L222-I250 HydrophobicContact CD1-CG1 3.91Å; L235-I250 HydrophobicContact CD2-CG2 4.01Å; L237-I250 HydrophobicContact CD1-CD1 3.87Å; L246-I250 WeakPolarHBondContact O-CG1 3.36Å; L246-I250 PolarHBondContact O-N 2.68Å; L246-I250 VanDerWaalsContact O-N 3.16Å; Q247-I250 PolarHBondContact O-N 2.72Å; Q248-I250 VanDerWaalsContact C-N 3.3Å; Q248-I250 PolarHBondContact O-N 3.23Å; I250-D252 PolarHBondContact O-N 2.96Å; I250-L253 PolarHBondContact O-N 3.1Å; I250-L254 HydrophobicContact CG2-CD1 3.82Å; I250-L254 HydrophobicContact CG2-CG 4.4Å; I250-L254 WeakPolarHBondContact O-CG 3.48Å; I250-L254 PolarHBondContact O-N 3.1Å; I250-L254 VanDerWaalsContact O-N 3.07Å
251S91.9Very high82.6Confident65 Ų6569.7 Ų69.746%0.45539%0.387SS..Hα-helixtrans-61.9-42.5178.9-171.70000112.2Q247 Q248 L254 S255Q247-S251 WeakPolarHBondContact O-CB 3.37Å; Q247-S251 PolarHBondContact O-N 2.84Å; Q248-S251 WeakPolarHBondContact O-CB 3.22Å; Q248-S251 PolarHBondContact O-N 2.65Å; S251-L254 PolarHBondContact O-N 2.85Å; S251-S255 PolarHBondContact O-N 3.04Å
252D91.5Very high80.5Confident83 Ų8372 Ų7244%0.44439%0.389SS..Hα-helixtrans-61.7-49179.2-69.6-20.6000110.1Q248 I250 L254 S255 E256Q248-D252 VanDerWaalsContact O-CG 3.27Å; Q248-D252 PolarHBondContact O-N 3.41Å; I250-D252 PolarHBondContact O-N 2.96Å; D252-L254 VanDerWaalsContact C-N 3.33Å; D252-L254 PolarHBondContact O-N 3.4Å; D252-S255 PolarHBondContact O-N 2.93Å; D252-S255 PolarHBondContact O-OG 2.86Å; D252-E256 WeakPolarHBondContact O-CG 3.43Å; D252-E256 PolarHBondContact O-N 2.78Å
253L91.6Very high78.1Confident54 Ų5476.7 Ų76.728%0.28341%0.409SS..Hα-helixtrans-61-38.4177.8-72.5172.3000113.4L222 V225 E226 Q249 I250 S255 G257L222-L253 HydrophobicContact CD1-CD1 3.48Å; L222-L253 VanDerWaalsContact CD1-CD1 3.48Å; V225-L253 HydrophobicContact CG1-CB 3.87Å; E226-L253 HydrophobicContact CG-CD1 3.65Å; Q249-L253 WeakPolarHBondContact O-CG 3.49Å; Q249-L253 PolarHBondContact O-N 3.28Å; I250-L253 PolarHBondContact O-N 3.1Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-G257 PolarHBondContact O-N 3.04Å
254L89.4Confident75.7Confident11 Ų1180.6 Ų80.66%0.05842%0.423CS..Hα-helixtrans-68.7-31.1176.1-69.4168000112V225 T230 L232 L235 I250 S251 D252V225-L254 HydrophobicContact CG1-CD2 3.87Å; V225-L254 HydrophobicContact CG1-CG 4.16Å; V225-L254 HydrophobicContact CG2-CD2 3.8Å; V225-L254 HydrophobicContact CG2-CG 4.28Å; T230-L254 HydrophobicContact CG2-CD2 4.42Å; L232-L254 HydrophobicContact CB-CD2 4.13Å; L232-L254 HydrophobicContact CD2-CD1 4.23Å; L232-L254 HydrophobicContact CD2-CD2 4.11Å; L232-L254 HydrophobicContact CG-CD2 4.23Å; L232-L254 WeakPolarHBondContact O-CD2 3.5Å; L235-L254 HydrophobicContact CB-CD1 3.78Å; I250-L254 HydrophobicContact CG2-CD1 3.82Å; I250-L254 HydrophobicContact CG2-CG 4.4Å; I250-L254 WeakPolarHBondContact O-CG 3.48Å; I250-L254 PolarHBondContact O-N 3.1Å; I250-L254 VanDerWaalsContact O-N 3.07Å; S251-L254 PolarHBondContact O-N 2.85Å; D252-L254 VanDerWaalsContact C-N 3.33Å; D252-L254 PolarHBondContact O-N 3.4Å
255S84.6Confident73.3Confident60 Ų6079.6 Ų79.642%0.4243%0.427SS..Hα-helixtrans-77.6-34.4177.173.60000113.4S251 D252 L253 G257 E258S251-S255 PolarHBondContact O-N 3.04Å; D252-S255 PolarHBondContact O-N 2.93Å; D252-S255 PolarHBondContact O-OG 2.86Å; L253-S255 VanDerWaalsContact C-N 3.3Å; S255-G257 VanDerWaalsContact C-N 3.3Å; S255-G257 PolarHBondContact O-N 3.49Å; S255-E258 WeakPolarHBondContact O-CB 3.15Å; S255-E258 PolarHBondContact O-N 3.18Å; S255-E258 VanDerWaalsContact O-N 3.16Å
256E75.3Confident70.7Confident124 Ų12481 Ų8158%0.57943%0.434SS*.Hα-helixtrans-64.8-34177.8-74.2-178.2171.400112.1D252 E258 E259D252-E256 WeakPolarHBondContact O-CG 3.43Å; D252-E256 PolarHBondContact O-N 2.78Å; E256-E258 PolarHBondContact O-N 3.15Å; E256-E259 PolarHBondContact O-N 3.15Å
257G61.4Low68.1Low44 Ų4484.1 Ų84.145%0.45446%0.46SS..Hα-helixtrans-62.6-20.8174.600000114.6L253 S255L253-G257 PolarHBondContact O-N 3.04Å; S255-G257 VanDerWaalsContact C-N 3.3Å; S255-G257 PolarHBondContact O-N 3.49Å
258E56.1Low65.6Low69 Ų6991.7 Ų91.732%0.32249%0.486SS..Hα-helixtrans-74-34.9177.3-59.6-168.4163.500112.4R233 S255 E256 D260 D262R233-E258 IonicContact CZ-OE1 3.37Å; R233-E258 IonicContact NE-OE1 2.65Å; R233-E258 PolarHBondContact NE-OE1 3.24Å; R233-E258 IonicContact NH2-OE1 3.15Å; R233-E258 PolarHBondContact NH2-OE1 3.39Å; R233-E258 IonicContact NH2-OE2 3.57Å; R233-E258 PolarHBondContact NH2-OE2 3.44Å; R233-E258 VanDerWaalsContact NH2-OE2 3.15Å; S255-E258 WeakPolarHBondContact O-CB 3.15Å; S255-E258 PolarHBondContact O-N 3.18Å; S255-E258 VanDerWaalsContact O-N 3.16Å; E256-E258 PolarHBondContact O-N 3.15Å; E258-D260 VanDerWaalsContact C-N 3.34Å; E258-D260 PolarHBondContact O-N 2.9Å; E258-D262 PolarHBondContact O-N 3.32Å
259E52.3Low63Low128 Ų12889.6 Ų89.660%0.59850%0.496SS*.Hα-helixtrans-74.1-24.5-175.6-68.8-162.8177.500113.7E256 K263E256-E259 PolarHBondContact O-N 3.15Å; E259-K263 WeakPolarHBondContact O-CD 3.37Å; E259-K263 WeakPolarHBondContact O-CE 3.22Å; E259-K263 VanDerWaalsContact O-CG 3.27Å; E259-K263 WeakPolarHBondContact O-CG 3.3Å; E259-K263 IonicContact OE2-NZ 3.77Å
260D52.4Low60.3Low106 Ų10690.5 Ų90.557%0.56751%0.512SS*.Hα-helixtrans-84.6-35.5-179.1-78.8-16.2000112.3E258 K263 E264E258-D260 VanDerWaalsContact C-N 3.34Å; E258-D260 PolarHBondContact O-N 2.9Å; D260-K263 PolarHBondContact O-N 3.33Å; D260-E264 PolarHBondContact O-N 3.06Å
261D52.5Low57.4Low122 Ų12294.6 Ų94.665%0.65255%0.546SS*.Hα-helixtrans-67.3-36.8175.1-96.3-9.2000112.2E264 G265D261-E264 PolarHBondContact O-N 2.94Å; D261-G265 PolarHBondContact O-N 3.42Å
262D51.2Low54.6Low123 Ų12396.4 Ų96.466%0.65857%0.565SS**Hα-helixtrans-67.4-35.7175.1-82.7-20.4000111.9E258 E266E258-D262 PolarHBondContact O-N 3.32Å; D262-E266 PolarHBondContact O-N 3Å
263K43.8Very low51.8Low113 Ų11399.9 Ų99.949%0.49158%0.582SS.*Hα-helixtrans-73.2-35.9176.2-71.6170.1-164.7145.20112.5E259 D260 E266 A267E259-K263 WeakPolarHBondContact O-CD 3.37Å; E259-K263 WeakPolarHBondContact O-CE 3.22Å; E259-K263 VanDerWaalsContact O-CG 3.27Å; E259-K263 WeakPolarHBondContact O-CG 3.3Å; E259-K263 IonicContact OE2-NZ 3.77Å; D260-K263 PolarHBondContact O-N 3.33Å; K263-E266 PolarHBondContact O-N 3.3Å; K263-A267 WeakPolarHBondContact O-CB 3.15Å; K263-A267 PolarHBondContact O-N 2.91Å
264E44.6Very low48.9Very low118 Ų118103 Ų10355%0.55161%0.605SS**Hα-helixtrans-71.3-32.1174-76.2-157166.700112.8D260 D261 A267 R268D260-E264 PolarHBondContact O-N 3.06Å; D261-E264 PolarHBondContact O-N 2.94Å; E264-A267 PolarHBondContact O-N 2.93Å; E264-R268 PolarHBondContact O-N 2.93Å
265G42Very low46.1Very low57 Ų57109.1 Ų109.159%0.58864%0.643SS**Hα-helixtrans-62.1-38.7170.700000113.2D261D261-G265 PolarHBondContact O-N 3.42Å
266E37.8Very low43.3Very low161 Ų161118.2 Ų118.275%0.75267%0.668SS**Hα-helixtrans-75.9-36.9174.8-73.1-170.6155.800113D262 K263 R268 G269D262-E266 PolarHBondContact O-N 3Å; K263-E266 PolarHBondContact O-N 3.3Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 2.98Å; E266-G269 PolarHBondContact O-N 3.13Å; E266-G269 VanDerWaalsContact O-N 3.16Å
267A40Very low40.9Very low71 Ų71120.1 Ų120.159%0.58768%0.677SS**Hα-helixtrans-68.1-27.7179.500000113.4K263 E264 G269 S270K263-A267 WeakPolarHBondContact O-CB 3.15Å; K263-A267 PolarHBondContact O-N 2.91Å; E264-A267 PolarHBondContact O-N 2.93Å; A267-G269 PolarHBondContact O-N 3Å; A267-S270 PolarHBondContact O-N 3.45Å
268R39.4Very low39.3Very low213 Ų213126.7 Ų126.780%0.80469%0.693SS**THydrogen-bonded Turntrans-75.9-5.6174.4-73.6-175.9174.9-175.64.4114.2E264 E266E264-R268 PolarHBondContact O-N 2.93Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 2.98Å
269G37.8Very low37.8Very low72 Ų72129.5 Ų129.574%0.74272%0.716SS**THydrogen-bonded Turntrans-82-5.217200000115.4E266 A267E266-G269 PolarHBondContact O-N 3.13Å; E266-G269 VanDerWaalsContact O-N 3.16Å; A267-G269 PolarHBondContact O-N 3Å
270S36.7Very low36.4Very low105 Ų105128 Ų12873%0.73472%0.719SS**  trans-125.734.6-168.1179.50000114.6A267A267-S270 PolarHBondContact O-N 3.45Å
271A33.6Very low35Very low87 Ų87134.8 Ų134.872%0.71974%0.737SS**  trans-101.8103.5168.400000110.5I273A271-I273 PolarHBondContact O-N 3.28Å
272A32.2Very low33.6Very low104 Ų104136.2 Ų136.286%0.8674%0.743SS**PPolyproline II helixtrans-58.8125.8-179.100000113
273I33.9Very low33Very low156 Ų156134.8 Ų134.880%0.874%0.74SS**PPolyproline II helixtrans-86.1127.1168.2-59167.2000107.9A271A271-I273 PolarHBondContact O-N 3.28Å
274P28.9Very low32.1Very low119 Ų119137.9 Ų137.977%0.77376%0.756SS**PPolyproline II helixtrans-74.8137.5175.229.5-29.8000111
275T30.6Very low31.2Very low140 Ų140136.8 Ų136.886%0.85976%0.761SS**PPolyproline II helixtrans-55.1138.2-173.147.10000116.2
276R27Very low30.4Very low250 Ų250141.6 Ų141.694%0.94377%0.774SS**  trans-141.1140.1143.7-157.7170.2174.5175.3-2.6110.3
277E25.6Very low29.9Very low164 Ų164137.7 Ų137.777%0.76676%0.764SS**  trans-75.2147.5-150-60.7171.8115.300117.7
278K26.6Very low29.4Very low183 Ų183143 Ų14380%0.79678%0.776SS**  trans41.5122.3140.9-66.8172.5178.8167.80118.3
279T24.1Very low28.9Very low128 Ų128138.8 Ų138.879%0.78578%0.777SS**  -162.6116.777.333.10000110.5
280S23.9Very low28.5Very low95 Ų95144.6 Ų144.666%0.66478%0.784SS**  88.6118.194.576.80000116.2
281W23.4Very low27.9Very low249 Ų249148.4 Ų148.494%0.94379%0.793SS**  trans110.3124.7158.2-65.874.2000118.6
282I23.3Very low27.6Very low153 Ų153150.2 Ų150.279%0.78580%0.795SS**  trans-129.6-179.4178.4-21175.5000105.8
283P37.4Very low27.3Very low92 Ų92152.5 Ų152.560%0.59779%0.792SS**  cis-136-177.3-1820.16.4000114.3
284H25.2Very low26.9Very low179 Ų179153.1 Ų153.183%0.82980%0.796SS**  trans167.7139.7130.5-75.1-55000107.2
285S26Very low26.9Very low95 Ų95153.6 Ų153.666%0.66480%0.797SS**  cis-179142.5-19.952.90000106.5
286N25.6Very low26.8Very low158 Ų158153 Ų15385%0.84580%0.798SS**  trans66.5149.4154.7-85.99.3000120.8
287S27.1Very low26.8Very low78 Ų78144.3 Ų144.355%0.54579%0.786SS.*  cis171.9134.3-24.248.60000107.6
288H29Very low27Very low183 Ų183145.2 Ų145.285%0.84780%0.795SS**  trans70.4135.3160.5-66.2-68.2000122.6
289P28.5Very low27.2Very low125 Ų125140 Ų14081%0.81279%0.794SS**PPolyproline II helixtrans-98.6141.415133.7-23.4000112.1
290Q28.9Very low27.6Very low193 Ų193143.2 Ų143.290%0.90280%0.8SS**PPolyproline II helixtrans-87.2133.7174-86.9174.8-37.700111.4
291M24.8Very low28Very low185 Ų185143.9 Ų143.991%0.91181%0.805SS**PPolyproline II helixtrans-61.7138163.9-103.6171135.500111.2
292V26.6Very low28.5Very low126 Ų126140.6 Ų140.676%0.76481%0.805SS**  trans-120115.3167.8178.10000107.9
293L25.8Very low29.3Very low151 Ų151141.1 Ų141.179%0.79181%0.808SS**  trans-72.2130.9168.4-85.9104.1000109.9
294L26.4Very low29Very low169 Ų169141 Ų14189%0.88582%0.815SS**  trans-96.9111.9164-74.9165.4000108.1
295T29.1Very low29.4Very low130 Ų130141.3 Ų141.380%0.79882%0.817SS**  trans-86.6112.2169.4570000108.6G297T295-G297 PolarHBondContact O-N 2.91Å
296S28.6Very low29.8Very low127 Ų127143.8 Ų143.889%0.88883%0.828SS**  trans-71.2102.7163.944.60000108.7
297G27.1Very low30.2Very low67 Ų67145.3 Ų145.369%0.69183%0.83SS**  trans-105111.7166.900000108.3T295T295-G297 PolarHBondContact O-N 2.91Å
298L30.4Very low30.5Very low183 Ų183154.3 Ų154.396%0.95887%0.867SS**  trans178.5106.5145.2-93.6168.2000108.1
299G29.1Very low30.6Very low75 Ų75152.9 Ų152.977%0.77387%0.868SS**  trans168.456.3174.700000114.5
300E32.5Very low30.7Very low194 Ų194154.4 Ų154.491%0.90787%0.871SS**  trans-136.2108.9157.5-79.9-163.5160.900111.6
301S32.2Very low30.8Very low110 Ų110152.2 Ų152.277%0.76987%0.869SS**  trans6088.5131.2-146.50000118.6L303S301-L303 PolarHBondContact O-N 2.85Å
302L35.9Very low31.2Very low180 Ų180150.3 Ų150.394%0.94287%0.867SS**  trans-82.895.5150.3-132.1135.2000106.7
303L38.6Very low31.4Very low163 Ų163151.8 Ų151.885%0.85387%0.873SS**  trans178.888.3159.4-96.9172.3000109.6S301S301-L303 PolarHBondContact O-N 2.85Å
304A31.8Very low31.8Very low90 Ų90151.9 Ų151.974%0.74488%0.879SS**  trans-173.9134150.500000110.8
305E33.4Very low32.2Very low186 Ų186150.6 Ų150.687%0.86988%0.878SS**  trans78.289.5154.8-63.6176.9175.200119.4
306T33.8Very low32.4Very low146 Ų146152.2 Ų152.290%0.89688%0.884SS**  -144.586.3124.351.60000110
307E34.3Very low32.8Very low191 Ų191154.3 Ų154.389%0.89388%0.884SS**  trans-120.994.4149.1-86.8-167.6144.700107.5
308M34Very low33.3Very low267 Ų267162.3 Ų162.3100%1.31590%0.902SS**  trans179.30137.7-105.4-173.7-7800110.3

Retrieved 308 of 308 residues in 831 ms (Link to these results)

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