A0A060XU38_ONCMY Loading...

PCI domain-containing protein

Component of the COP9 signalosome complex (CSN), a complex involved in various cellular and developmental processes. The CSN complex is an essential regulator of the ubiquitin (Ubl) conjugation pathway by mediating the deneddylation of the cullin subunits of SCF-type E3 ligase complexes, leading to decrease the Ubl ligase activity of SCF-type complexes such as SCF, CSA or DDB2. The complex is also involved in phosphorylation of p53/TP53, JUN, I-kappa-B-alpha/NFKBIA, ITPK1 and IRF8/ICSBP, possibly via its association with CK2 and PKD kinases. CSN-dependent phosphorylation of TP53 and JUN promotes and protects degradation by the Ubl system, respectively.

AlphaFold DB (A0A1S3RVI5), UniProt , Accession A0A060XU38, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110518073, Length 268 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
1M49.8Very low67.9Low115 Ų11584.9 Ų84.957%0.56747%0.468SS*.  01150-157.6-176.2-53.200105.3A17M1-A17 HydrophobicContact SD-CB 4.37Å
2E56.7Low69Low139 Ų13985.3 Ų85.365%0.6548%0.478SS*.  trans-69137.9-178.9-70.4172.8159.100108.9E4 Q5E2-E4 PolarHBondContact O-N 3.43Å; E2-Q5 WeakPolarHBondContact O-CB 3.41Å; E2-Q5 PolarHBondContact O-N 2.93Å
3V62.1Low70.3Confident70 Ų7082.2 Ų82.242%0.42447%0.47SS..Hα-helixtrans-54.7-27.2-177-175.30000111.6Q5 L6 L36V3-Q5 VanDerWaalsContact C-N 3.29Å; V3-Q5 PolarHBondContact O-N 2.72Å; V3-L6 WeakPolarHBondContact O-CB 3.47Å; V3-L6 PolarHBondContact O-N 3.48Å; V3-L36 HydrophobicContact CG1-CD1 3.96Å; V3-L36 HydrophobicContact CG1-CD2 4.38Å
4E60.6Low71.4Confident153 Ų15376.4 Ų76.472%0.71544%0.437SS*.Hα-helixtrans-62.9-28.5175.6-61.6-163.7159.800114.1E2 L6 L7E2-E4 PolarHBondContact O-N 3.43Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.29Å; E4-L7 WeakPolarHBondContact O-CB 3.43Å; E4-L7 PolarHBondContact O-N 3.31Å
5Q66.3Low72.2Confident104 Ų10472 Ų7249%0.48641%0.413SS..Hα-helixtrans-70.6-29.6177.9-68.2179.3-7.300111.6E2 V3 L7 S8E2-Q5 WeakPolarHBondContact O-CB 3.41Å; E2-Q5 PolarHBondContact O-N 2.93Å; V3-Q5 VanDerWaalsContact C-N 3.29Å; V3-Q5 PolarHBondContact O-N 2.72Å; Q5-L7 VanDerWaalsContact C-N 3.26Å; Q5-L7 PolarHBondContact O-N 3.11Å; Q5-S8 PolarHBondContact O-N 3.41Å; Q5-S8 PolarHBondContact O-OG 3.21Å
6L71.4Confident73Confident2 Ų276.4 Ų76.41%0.0143%0.429CS..Hα-helixtrans-66.6-28.7176.7-69.4165000112.3V3 E4 S8 L9 L14 A17 L21 I33 L36 N38V3-L6 WeakPolarHBondContact O-CB 3.47Å; V3-L6 PolarHBondContact O-N 3.48Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.29Å; L6-S8 PolarHBondContact O-N 3.42Å; L6-L9 PolarHBondContact O-N 3.1Å; L6-L14 HydrophobicContact CB-CD1 4.47Å; L6-L14 HydrophobicContact CD2-CD1 3.85Å; L6-A17 HydrophobicContact CD2-CB 3.56Å; L6-L21 HydrophobicContact CD1-CD2 3.95Å; L6-I33 HydrophobicContact CD1-CG2 4.22Å; L6-L36 HydrophobicContact CB-CD1 4.17Å; L6-L36 HydrophobicContact CD1-CD1 4.46Å; L6-N38 PolarHBondContact O-ND2 3.48Å
7L69Low73.8Confident85 Ų8572.3 Ų72.345%0.44541%0.407SS..THydrogen-bonded Turntrans-66.8-17.5177.1-69.7172.5000113.3E4 Q5 L36 N38E4-L7 WeakPolarHBondContact O-CB 3.43Å; E4-L7 PolarHBondContact O-N 3.31Å; Q5-L7 VanDerWaalsContact C-N 3.26Å; Q5-L7 PolarHBondContact O-N 3.11Å; L7-L36 HydrophobicContact CD2-CB 4.49Å; L7-L36 HydrophobicContact CD2-CD2 3.87Å; L7-L36 HydrophobicContact CG-CD2 4.47Å; L7-N38 VanDerWaalsContact CA-ND2 3.35Å; L7-N38 WeakPolarHBondContact CA-ND2 3.4Å; L7-N38 PolarHBondContact O-ND2 3.32Å
8S73.8Confident74.6Confident96 Ų9668.3 Ų68.367%0.67138%0.384SS*.THydrogen-bonded Turntrans-95.8-10.1178.572.10000114Q5 L6Q5-S8 PolarHBondContact O-N 3.41Å; Q5-S8 PolarHBondContact O-OG 3.21Å; L6-S8 PolarHBondContact O-N 3.42Å
9L80.8Confident75.2Confident51 Ų5167.2 Ų67.227%0.26738%0.381SS..  trans-99.3144.6-174.4-60.7176.5000111.4L6 A13 L14 A17 N38L6-L9 PolarHBondContact O-N 3.1Å; L9-A13 HydrophobicContact CD2-CB 4.24Å; L9-L14 HydrophobicContact CB-CB 4.24Å; L9-L14 HydrophobicContact CB-CD1 4.33Å; L9-A17 HydrophobicContact CD1-CB 3.71Å; L9-N38 PolarHBondContact O-ND2 3.28Å
10S77.4Confident75.8Confident94 Ų9466.6 Ų66.666%0.65738%0.382SS*.  trans-138.8155176.565.70000112.1A13S10-A13 PolarHBondContact O-N 3.46Å
11G78.8Confident76.4Confident25 Ų2563.9 Ų63.926%0.25837%0.366SS..THydrogen-bonded Turntrans59.6-129.5173.900000113.9A13 L14 A15G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 3.45Å; G11-A15 PolarHBondContact O-N 2.93Å; G11-A15 VanDerWaalsContact O-N 3.16Å
12P81.8Confident78.2Confident90 Ų9058.4 Ų58.458%0.58434%0.339SS*.Hα-helixtrans-61.2-33.5-175.3-22.932.5000114.2L14 A15 Q16P12-L14 VanDerWaalsContact C-N 3.35Å; P12-A15 PolarHBondContact O-N 2.98Å; P12-Q16 PolarHBondContact O-N 3.34Å; P12-Q16 VanDerWaalsContact O-N 3.07Å
13A85.1Confident79.7Confident45 Ų4555.9 Ų55.937%0.37233%0.327SS..Hα-helixtrans-67.4-38.2179.100000111.3L9 S10 G11 Q16 A17L9-A13 HydrophobicContact CD2-CB 4.24Å; S10-A13 PolarHBondContact O-N 3.46Å; G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.44Å; A13-Q16 PolarHBondContact O-N 2.97Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.17Å
14L85.4Confident80.9Confident1 Ų154.9 Ų54.91%0.00532%0.321CS..Hα-helixtrans-67.1-40.8174.8-17660000111.3L6 L9 G11 P12 Q16 A17 I18 N38 V39 L42L6-L14 HydrophobicContact CB-CD1 4.47Å; L6-L14 HydrophobicContact CD2-CD1 3.85Å; L9-L14 HydrophobicContact CB-CB 4.24Å; L9-L14 HydrophobicContact CB-CD1 4.33Å; G11-L14 PolarHBondContact O-N 3.45Å; P12-L14 VanDerWaalsContact C-N 3.35Å; L14-Q16 VanDerWaalsContact C-N 3.35Å; L14-Q16 PolarHBondContact O-N 3.41Å; L14-A17 PolarHBondContact O-N 2.92Å; L14-I18 HydrophobicContact CG-CD1 4.15Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.5Å; L14-I18 PolarHBondContact O-N 3.2Å; L14-N38 HydrophobicContact CD2-CB 3.95Å; L14-N38 VanDerWaalsContact CD2-O 3.28Å; L14-N38 WeakPolarHBondContact CD2-O 3.34Å; L14-V39 HydrophobicContact CD1-CG2 4.29Å; L14-V39 HydrophobicContact CD2-CG2 4.27Å; L14-L42 HydrophobicContact CD2-CD1 3.63Å; L14-L42 HydrophobicContact CD2-CD2 4.22Å; L14-L42 HydrophobicContact CD2-CG 3.94Å; L14-L42 HydrophobicContact CG-CD1 3.89Å
15A84Confident82Confident10 Ų1052.9 Ų52.98%0.08332%0.322CS..Hα-helixtrans-61.5-40.2176.100000113G11 P12 S19 V50G11-A15 PolarHBondContact O-N 2.93Å; G11-A15 VanDerWaalsContact O-N 3.16Å; P12-A15 PolarHBondContact O-N 2.98Å; A15-S19 PolarHBondContact O-N 2.89Å; A15-S19 PolarHBondContact O-OG 3.45Å; A15-V50 HydrophobicContact CB-CG1 4.32Å; A15-V50 HydrophobicContact CB-CG2 4.21Å
16Q85.6Confident82.7Confident142 Ų14250.8 Ų50.866%0.66433%0.328SS*.Hα-helixtrans-68.4-38.8173.7-76-175.1-11.900112.5P12 A13 L14 S19 S20P12-Q16 PolarHBondContact O-N 3.34Å; P12-Q16 VanDerWaalsContact O-N 3.07Å; A13-Q16 PolarHBondContact O-N 2.97Å; L14-Q16 VanDerWaalsContact C-N 3.35Å; L14-Q16 PolarHBondContact O-N 3.41Å; Q16-S19 PolarHBondContact O-N 3.09Å; Q16-S20 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-OG 2.93Å
17A86.8Confident83.5Confident7 Ų753 Ų536%0.05834%0.34CS..Hα-helixtrans-63.8-43.6176.200000111.3M1 L6 L9 A13 L14 S19 S20 L21M1-A17 HydrophobicContact SD-CB 4.37Å; L6-A17 HydrophobicContact CD2-CB 3.56Å; L9-A17 HydrophobicContact CD1-CB 3.71Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.17Å; L14-A17 PolarHBondContact O-N 2.92Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 3.14Å; A17-S20 WeakPolarHBondContact O-CB 3.35Å; A17-S20 PolarHBondContact O-N 2.94Å; A17-L21 VanDerWaalsContact O-CB 3.3Å; A17-L21 WeakPolarHBondContact O-CB 3.26Å; A17-L21 PolarHBondContact O-N 2.92Å
18I87.6Confident84.3Confident0 Ų050 Ų500%032%0.322CS..Hα-helixtrans-58.8-45.4173.4-68.4166.4000110.3L14 S20 L21 L22 V39 L42 V50 L54L14-I18 HydrophobicContact CG-CD1 4.15Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.5Å; L14-I18 PolarHBondContact O-N 3.2Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.34Å; I18-L21 WeakPolarHBondContact O-CB 3.49Å; I18-L21 PolarHBondContact O-N 3.24Å; I18-L21 VanDerWaalsContact O-N 3.1Å; I18-L22 HydrophobicContact CG2-CD1 4.31Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.24Å; I18-V39 HydrophobicContact CD1-CG1 4.45Å; I18-L42 HydrophobicContact CD1-CD1 3.62Å; I18-V50 HydrophobicContact CB-CG1 4.07Å; I18-V50 HydrophobicContact CD1-CG1 4.09Å; I18-V50 HydrophobicContact CG2-CG1 3.83Å; I18-L54 HydrophobicContact CG2-CB 4.33Å; I18-L54 HydrophobicContact CG2-CD1 4.44Å
19S85.9Confident84.9Confident47 Ų4748.4 Ų48.433%0.32931%0.308SS..Hα-helixtrans-59.8-43178.5-58.60000112.1A15 Q16 A17 L21 L22 E23 Q79A15-S19 PolarHBondContact O-N 2.89Å; A15-S19 PolarHBondContact O-OG 3.45Å; Q16-S19 PolarHBondContact O-N 3.09Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 3.14Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-L21 PolarHBondContact O-N 3.36Å; S19-L22 PolarHBondContact O-N 2.95Å; S19-E23 PolarHBondContact O-N 3.17Å; S19-Q79 PolarHBondContact O-NE2 2.97Å
20S87.3Confident85.3Confident56 Ų5646 Ų4639%0.39230%0.296SS..Hα-helixtrans-65.3-36174.9-55.50000112.5Q16 A17 I18 E23 T24Q16-S20 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-OG 2.93Å; A17-S20 WeakPolarHBondContact O-CB 3.35Å; A17-S20 PolarHBondContact O-N 2.94Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.34Å; S20-E23 PolarHBondContact O-N 3.02Å; S20-T24 PolarHBondContact O-N 3.4Å; S20-T24 VanDerWaalsContact O-N 3.16Å; S20-T24 PolarHBondContact O-OG1 2.93Å
21L87.9Confident85.7Confident9 Ų942.1 Ų42.15%0.04727%0.269CS..Hα-helixtrans-68.5-42.4178.9-168.370.2000111.6L6 A17 I18 S19 E23 T24 L27 I33 K82L6-L21 HydrophobicContact CD1-CD2 3.95Å; A17-L21 VanDerWaalsContact O-CB 3.3Å; A17-L21 WeakPolarHBondContact O-CB 3.26Å; A17-L21 PolarHBondContact O-N 2.92Å; I18-L21 WeakPolarHBondContact O-CB 3.49Å; I18-L21 PolarHBondContact O-N 3.24Å; I18-L21 VanDerWaalsContact O-N 3.1Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-L21 PolarHBondContact O-N 3.36Å; L21-E23 PolarHBondContact O-N 3.43Å; L21-T24 WeakPolarHBondContact O-CB 3.4Å; L21-T24 PolarHBondContact O-N 2.96Å; L21-T24 VanDerWaalsContact O-N 3.1Å; L21-L27 HydrophobicContact CD1-CD2 3.31Å; L21-L27 HydrophobicContact CD2-CD2 4.32Å; L21-L27 HydrophobicContact CG-CD2 3.46Å; L21-L27 VanDerWaalsContact CG-CD2 3.46Å; L21-I33 HydrophobicContact CD2-CB 4.39Å; L21-I33 HydrophobicContact CD2-CD1 3.45Å; L21-I33 VanDerWaalsContact CD2-CD1 3.45Å; L21-I33 HydrophobicContact CD2-CG1 3.9Å; L21-I33 HydrophobicContact CD2-CG2 3.77Å; L21-I33 HydrophobicContact CG-CD1 4.25Å; L21-K82 PolarHBondContact O-NZ 3.47Å
22L88.3Confident86Confident1 Ų146.2 Ų46.21%0.00529%0.285CS..Hα-helixtrans-59.5-31.7172.8-67-179.5000111.2I18 S19 F30 L53 L54 F57 Q79 K82I18-L22 HydrophobicContact CG2-CD1 4.31Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.24Å; S19-L22 PolarHBondContact O-N 2.95Å; L22-F30 HydrophobicContact CD2-CD1 4.24Å; L22-F30 HydrophobicContact CD2-CE1 3.77Å; L22-F30 HydrophobicContact CD2-CZ 4.06Å; L22-L53 HydrophobicContact CD1-CD2 3.85Å; L22-L53 HydrophobicContact CD1-CG 4.13Å; L22-L54 HydrophobicContact CD2-CD1 3.91Å; L22-F57 HydrophobicContact CD1-CD2 4.28Å; L22-F57 HydrophobicContact CD1-CE2 4.22Å; L22-F57 HydrophobicContact CD2-CB 3.92Å; L22-F57 HydrophobicContact CD2-CD1 3.8Å; L22-F57 HydrophobicContact CD2-CD2 4.01Å; L22-F57 HydrophobicContact CD2-CE1 4.3Å; L22-F57 HydrophobicContact CD2-CE2 4.48Å; L22-F57 HydrophobicContact CD2-CG 3.63Å; L22-Q79 HydrophobicContact CB-CG 4.1Å; L22-K82 WeakPolarHBondContact O-CD 3.3Å; L22-K82 WeakPolarHBondContact O-CE 3.47Å; L22-K82 PolarHBondContact O-NZ 2.93Å
23E88Confident86.2Confident86 Ų8642.2 Ų42.240%0.40226%0.258SS..Hα-helixtrans-84-11.5179.2-136.6163.2-142.200114S19 S20 L21 T76 A78 Q79S19-E23 PolarHBondContact O-N 3.17Å; S20-E23 PolarHBondContact O-N 3.02Å; L21-E23 PolarHBondContact O-N 3.43Å; E23-T76 VanDerWaalsContact OE1-CB 3.24Å; E23-T76 WeakPolarHBondContact OE1-CB 3.48Å; E23-T76 WeakPolarHBondContact OE1-CG2 3.47Å; E23-T76 PolarHBondContact OE1-OG1 3.5Å; E23-A78 HydrophobicContact CG-CB 3.74Å; E23-Q79 HydrophobicContact CB-CG 4.29Å; E23-Q79 HydrophobicContact CG-CG 4.1Å
24T87.1Confident86.3Confident49 Ų4940.7 Ų40.730%0.30124%0.244SC..  trans-68.8122.8-176.6-61.30000110.6S20 L21 L27 K82S20-T24 PolarHBondContact O-N 3.4Å; S20-T24 VanDerWaalsContact O-N 3.16Å; S20-T24 PolarHBondContact O-OG1 2.93Å; L21-T24 WeakPolarHBondContact O-CB 3.4Å; L21-T24 PolarHBondContact O-N 2.96Å; L21-T24 VanDerWaalsContact O-N 3.1Å; T24-L27 HydrophobicContact CG2-CB 4.42Å; T24-K82 PolarHBondContact O-NZ 2.85Å
25P83.3Confident86.3Confident111 Ų11146.5 Ų46.572%0.72127%0.271SS*.THydrogen-bonded Turntrans-68.4146177.929-34.3000110.7L27P25-L27 PolarHBondContact O-N 3.46Å
26G82.2Confident86.5Confident60 Ų6047.2 Ų47.262%0.61927%0.273SS*.THydrogen-bonded Turntrans81.7-14.1179.600000115.5Y28G26-Y28 PolarHBondContact O-N 3.47Å
27L86.8Confident86.5Confident49 Ų4944 Ų4426%0.25727%0.265SS..  trans-90.299.6175.1-17967.4000111L21 T24 P25 V29 F30 I33 K82L21-L27 HydrophobicContact CD1-CD2 3.31Å; L21-L27 HydrophobicContact CD2-CD2 4.32Å; L21-L27 HydrophobicContact CG-CD2 3.46Å; L21-L27 VanDerWaalsContact CG-CD2 3.46Å; T24-L27 HydrophobicContact CG2-CB 4.42Å; P25-L27 PolarHBondContact O-N 3.46Å; L27-V29 WeakPolarHBondContact CD1-O 3.4Å; L27-F30 HydrophobicContact CD2-CE1 3.99Å; L27-F30 HydrophobicContact CG-CE1 4.09Å; L27-F30 HydrophobicContact CG-CZ 4.5Å; L27-F30 VanDerWaalsContact O-CZ 3.32Å; L27-F30 WeakPolarHBondContact O-CZ 3.37Å; L27-I33 HydrophobicContact CD2-CD1 4.23Å; L27-K82 WeakPolarHBondContact O-CE 3.41Å; L27-K82 PolarHBondContact O-NZ 3.5Å
28Y86.4Confident86.4Confident21 Ų2145.4 Ų45.48%0.08227%0.272CS..  trans-114.34.9179.9-68.8-84.2000113.9G26 K82 H85 L86 I127G26-Y28 PolarHBondContact O-N 3.47Å; Y28-K82 HydrophobicContact CD1-CG 4.18Å; Y28-K82 HydrophobicContact CE1-CD 4.44Å; Y28-K82 HydrophobicContact CE1-CG 3.56Å; Y28-H85 HydrophobicContact CE1-CB 4.13Å; Y28-L86 HydrophobicContact CD1-CD2 3.75Å; Y28-L86 HydrophobicContact CD1-CG 4.02Å; Y28-L86 HydrophobicContact CG-CD2 4.45Å; Y28-I127 HydrophobicContact CD2-CD1 4.45Å; Y28-I127 HydrophobicContact CD2-CG1 4.27Å; Y28-I127 HydrophobicContact CE1-CD1 3.75Å; Y28-I127 HydrophobicContact CE1-CG1 4.49Å; Y28-I127 HydrophobicContact CE2-CD1 3.59Å; Y28-I127 HydrophobicContact CE2-CG1 3.71Å; Y28-I127 WeakPolarHBondContact OH-CD1 3.48Å
29V87.4Confident86.3Confident62 Ų6245.5 Ų45.538%0.37627%0.272SS..  trans-116.4124.1-179.9-178.70000107.8L27 D148L27-V29 WeakPolarHBondContact CD1-O 3.4Å; V29-D148 WeakPolarHBondContact CG1-OD1 2.91Å
30F88.8Confident86.3Confident0 Ų049.8 Ų49.80%028%0.281CS..  trans-126.8-8.9-172.9-60.6-76.3000113.7L22 L27 D32 I33 L34 L54 F57 A58 L86 D148L22-F30 HydrophobicContact CD2-CD1 4.24Å; L22-F30 HydrophobicContact CD2-CE1 3.77Å; L22-F30 HydrophobicContact CD2-CZ 4.06Å; L27-F30 HydrophobicContact CD2-CE1 3.99Å; L27-F30 HydrophobicContact CG-CE1 4.09Å; L27-F30 HydrophobicContact CG-CZ 4.5Å; L27-F30 VanDerWaalsContact O-CZ 3.32Å; L27-F30 WeakPolarHBondContact O-CZ 3.37Å; F30-D32 VanDerWaalsContact C-N 3.34Å; F30-D32 PolarHBondContact O-N 3.47Å; F30-I33 HydrophobicContact CD1-CD1 4.06Å; F30-I33 WeakPolarHBondContact O-CB 3.37Å; F30-I33 PolarHBondContact O-N 3.34Å; F30-I33 VanDerWaalsContact O-N 3.1Å; F30-L34 PolarHBondContact O-N 3.42Å; F30-L54 HydrophobicContact CB-CD1 4Å; F30-L54 HydrophobicContact CD1-CD1 3.8Å; F30-L54 HydrophobicContact CG-CD1 4.11Å; F30-F57 HydrophobicContact CD2-CB 3.98Å; F30-F57 HydrophobicContact CE2-CB 4Å; F30-F57 HydrophobicContact CE2-CD1 4.16Å; F30-F57 HydrophobicContact CZ-CD1 4.27Å; F30-A58 HydrophobicContact CB-CB 4.15Å; F30-L86 HydrophobicContact CE2-CD1 4.12Å; F30-D148 PolarHBondContact N-OD1 2.94Å; F30-D148 PolarHBondContact N-OD2 2.96Å
31S85.2Confident86.2Confident14 Ų1453.6 Ų53.610%0.09829%0.292CS..Hα-helixtrans-56.2-46.6179.6-770000112.3I33 L34 E35 Y59 D148S31-I33 PolarHBondContact O-N 3.34Å; S31-L34 WeakPolarHBondContact O-CB 3.32Å; S31-L34 PolarHBondContact O-N 3.35Å; S31-E35 WeakPolarHBondContact O-CG 3.35Å; S31-E35 PolarHBondContact O-N 3.47Å; S31-Y59 PolarHBondContact OG-OH 2.75Å; S31-D148 VanDerWaalsContact CB-OD1 3.27Å; S31-D148 WeakPolarHBondContact CB-OD1 3.39Å; S31-D148 PolarHBondContact N-OD1 3.32Å; S31-D148 VanDerWaalsContact OG-CB 3.29Å; S31-D148 WeakPolarHBondContact OG-CB 3.27Å; S31-D148 PolarHBondContact OG-OD1 3.03Å; S31-D148 VanDerWaalsContact OG-OD1 3.06Å
32D85.3Confident86Confident111 Ų11153.7 Ų53.759%0.59429%0.293SS*.Hα-helixtrans-58.8-35.1179.3-62.9-19.7000112.1F30F30-D32 VanDerWaalsContact C-N 3.34Å; F30-D32 PolarHBondContact O-N 3.47Å
33I86.7Confident85.8Confident5 Ų558.9 Ų58.93%0.02632%0.317CS..Hα-helixtrans-75.7-36.5178.9-61.4141.5000110.5L6 L21 L27 F30 S31 E35 L36 V39 L54L6-I33 HydrophobicContact CD1-CG2 4.22Å; L21-I33 HydrophobicContact CD2-CB 4.39Å; L21-I33 HydrophobicContact CD2-CD1 3.45Å; L21-I33 VanDerWaalsContact CD2-CD1 3.45Å; L21-I33 HydrophobicContact CD2-CG1 3.9Å; L21-I33 HydrophobicContact CD2-CG2 3.77Å; L21-I33 HydrophobicContact CG-CD1 4.25Å; L27-I33 HydrophobicContact CD2-CD1 4.23Å; F30-I33 HydrophobicContact CD1-CD1 4.06Å; F30-I33 WeakPolarHBondContact O-CB 3.37Å; F30-I33 PolarHBondContact O-N 3.34Å; F30-I33 VanDerWaalsContact O-N 3.1Å; S31-I33 PolarHBondContact O-N 3.34Å; I33-E35 VanDerWaalsContact C-N 3.27Å; I33-E35 PolarHBondContact O-N 3.25Å; I33-L36 HydrophobicContact CG2-CD1 4.43Å; I33-L36 WeakPolarHBondContact O-CB 3.41Å; I33-L36 WeakPolarHBondContact O-CG 3.4Å; I33-L36 PolarHBondContact O-N 2.96Å; I33-V39 HydrophobicContact CG2-CG2 4.4Å; I33-V39 WeakPolarHBondContact O-CB 3.38Å; I33-V39 WeakPolarHBondContact O-CG2 3.41Å; I33-L54 HydrophobicContact CG2-CD2 3.99Å
34L86.4Confident85.6Confident13 Ų1361 Ų617%0.06834%0.336CS..Hα-helixtrans-68.4-27.3177.5-160.878.7000112.4F30 S31 L36 R40 Y51 L54 N55 Y59F30-L34 PolarHBondContact O-N 3.42Å; S31-L34 WeakPolarHBondContact O-CB 3.32Å; S31-L34 PolarHBondContact O-N 3.35Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L34-R40 WeakPolarHBondContact O-CG 3.33Å; L34-Y51 HydrophobicContact CD1-CD2 4.18Å; L34-Y51 HydrophobicContact CD1-CE2 3.55Å; L34-Y51 HydrophobicContact CG-CE2 4.15Å; L34-L54 HydrophobicContact CD1-CB 4.4Å; L34-L54 HydrophobicContact CD1-CD2 3.92Å; L34-L54 HydrophobicContact CD1-CG 3.96Å; L34-N55 HydrophobicContact CD1-CB 4.3Å; L34-Y59 HydrophobicContact CD2-CE2 3.71Å
35E86.1Confident85.3Confident124 Ų12460 Ų6058%0.57934%0.335SS*.THydrogen-bonded Turntrans-77.8-14.5177.3-72.5-173.7-178.600113.8S31 I33S31-E35 WeakPolarHBondContact O-CG 3.35Å; S31-E35 PolarHBondContact O-N 3.47Å; I33-E35 VanDerWaalsContact C-N 3.27Å; I33-E35 PolarHBondContact O-N 3.25Å
36L87.8Confident85.3Confident24 Ų2460.5 Ų60.513%0.12634%0.339CS..SBendtrans-62.9135.2178.4-59.1177.1000111.1V3 L6 L7 I33 L34 N38 V39 R40V3-L36 HydrophobicContact CG1-CD1 3.96Å; V3-L36 HydrophobicContact CG1-CD2 4.38Å; L6-L36 HydrophobicContact CB-CD1 4.17Å; L6-L36 HydrophobicContact CD1-CD1 4.46Å; L7-L36 HydrophobicContact CD2-CB 4.49Å; L7-L36 HydrophobicContact CD2-CD2 3.87Å; L7-L36 HydrophobicContact CG-CD2 4.47Å; I33-L36 HydrophobicContact CG2-CD1 4.43Å; I33-L36 WeakPolarHBondContact O-CB 3.41Å; I33-L36 WeakPolarHBondContact O-CG 3.4Å; I33-L36 PolarHBondContact O-N 2.96Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L36-N38 VanDerWaalsContact C-N 3.34Å; L36-N38 PolarHBondContact O-N 2.94Å; L36-V39 HydrophobicContact CB-CB 4.28Å; L36-V39 HydrophobicContact CB-CG2 4.02Å; L36-V39 HydrophobicContact CD1-CG2 4.39Å; L36-V39 PolarHBondContact O-N 2.94Å; L36-R40 PolarHBondContact O-N 3.37Å
37P85.5Confident85.4Confident75 Ų7560.1 Ų60.149%0.48732%0.321SS..Hα-helixtrans-59.8-43-176.122.1-32.2000112.1V39 R40 E41P37-V39 PolarHBondContact O-N 2.92Å; P37-R40 PolarHBondContact O-N 2.96Å; P37-R40 VanDerWaalsContact O-N 3.15Å; P37-E41 WeakPolarHBondContact O-CG 3.44Å; P37-E41 PolarHBondContact O-N 3.4Å
38N85.5Confident85.3Confident37 Ų3758.6 Ų58.620%0.19832%0.316CS..Hα-helixtrans-60.2-32.9178.6-55.47.9000112.6L6 L7 L9 L14 L36L6-N38 PolarHBondContact O-ND2 3.48Å; L7-N38 VanDerWaalsContact CA-ND2 3.35Å; L7-N38 WeakPolarHBondContact CA-ND2 3.4Å; L7-N38 PolarHBondContact O-ND2 3.32Å; L9-N38 PolarHBondContact O-ND2 3.28Å; L14-N38 HydrophobicContact CD2-CB 3.95Å; L14-N38 VanDerWaalsContact CD2-O 3.28Å; L14-N38 WeakPolarHBondContact CD2-O 3.34Å; L36-N38 VanDerWaalsContact C-N 3.34Å; L36-N38 PolarHBondContact O-N 2.94Å
39V85.6Confident85.5Confident1 Ų159.9 Ų59.91%0.00633%0.326CS..Hα-helixtrans-78.6-38.9179.4177.80000110L14 I18 I33 L36 P37 E41 L42 Y51 L54L14-V39 HydrophobicContact CD1-CG2 4.29Å; L14-V39 HydrophobicContact CD2-CG2 4.27Å; I18-V39 HydrophobicContact CD1-CG1 4.45Å; I33-V39 HydrophobicContact CG2-CG2 4.4Å; I33-V39 WeakPolarHBondContact O-CB 3.38Å; I33-V39 WeakPolarHBondContact O-CG2 3.41Å; L36-V39 HydrophobicContact CB-CB 4.28Å; L36-V39 HydrophobicContact CB-CG2 4.02Å; L36-V39 HydrophobicContact CD1-CG2 4.39Å; L36-V39 PolarHBondContact O-N 2.94Å; P37-V39 PolarHBondContact O-N 2.92Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 3.26Å; V39-L42 VanDerWaalsContact O-CB 3.31Å; V39-L42 WeakPolarHBondContact O-CB 3.49Å; V39-L42 PolarHBondContact O-N 3.31Å; V39-L42 VanDerWaalsContact O-N 3.12Å; V39-Y51 HydrophobicContact CG1-CD2 3.91Å; V39-Y51 HydrophobicContact CG1-CE2 4.09Å; V39-Y51 WeakPolarHBondContact O-CD2 3.49Å; V39-L54 HydrophobicContact CG1-CD2 3.7Å
40R85.6Confident85.5Confident138 Ų13857.8 Ų57.852%0.52131%0.314SS..Hα-helixtrans-62.3-34.8172.9-73-165.9175-171.71.6113.2L34 L36 P37 L42 E43L34-R40 WeakPolarHBondContact O-CG 3.33Å; L36-R40 PolarHBondContact O-N 3.37Å; P37-R40 PolarHBondContact O-N 2.96Å; P37-R40 VanDerWaalsContact O-N 3.15Å; R40-L42 PolarHBondContact O-N 2.93Å; R40-E43 WeakPolarHBondContact O-CB 3.45Å; R40-E43 PolarHBondContact O-N 2.96Å; R40-E43 VanDerWaalsContact O-N 3.07Å
41E85.4Confident85.5Confident135 Ų13558.9 Ų58.963%0.63132%0.318SS*.Hα-helixtrans-60.6-27.8174.9-73.2178.2-173.400112.7P37 V39 E43P37-E41 WeakPolarHBondContact O-CG 3.44Å; P37-E41 PolarHBondContact O-N 3.4Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 3.26Å; E41-E43 PolarHBondContact O-N 2.92Å
42L83.5Confident85.7Confident12 Ų1262.5 Ų62.56%0.06333%0.333CS..G310 helixtrans-67.9-20.6177.1-59.5-179.5000113.1L14 I18 V39 R40 T44 G45 H47 A48L14-L42 HydrophobicContact CD2-CD1 3.63Å; L14-L42 HydrophobicContact CD2-CD2 4.22Å; L14-L42 HydrophobicContact CD2-CG 3.94Å; L14-L42 HydrophobicContact CG-CD1 3.89Å; I18-L42 HydrophobicContact CD1-CD1 3.62Å; V39-L42 VanDerWaalsContact O-CB 3.31Å; V39-L42 WeakPolarHBondContact O-CB 3.49Å; V39-L42 PolarHBondContact O-N 3.31Å; V39-L42 VanDerWaalsContact O-N 3.12Å; R40-L42 PolarHBondContact O-N 2.93Å; L42-T44 VanDerWaalsContact C-N 3.26Å; L42-T44 PolarHBondContact O-N 3.3Å; L42-G45 PolarHBondContact O-N 3.17Å; L42-H47 HydrophobicContact CD2-CB 4.16Å; L42-A48 WeakPolarHBondContact O-CA 3.5Å; L42-A48 PolarHBondContact O-N 2.9Å
43E84.4Confident85.9Confident109 Ų10957.4 Ų57.451%0.50931%0.306SS..G310 helixtrans-58.9-37.5-178.7-174.8176.7-157.700112.4R40 E41 A48 Y51R40-E43 WeakPolarHBondContact O-CB 3.45Å; R40-E43 PolarHBondContact O-N 2.96Å; R40-E43 VanDerWaalsContact O-N 3.07Å; E41-E43 PolarHBondContact O-N 2.92Å; E43-A48 WeakPolarHBondContact O-CB 3.38Å; E43-Y51 HydrophobicContact CB-CD1 3.73Å; E43-Y51 HydrophobicContact CB-CD2 4.45Å; E43-Y51 HydrophobicContact CB-CE1 3.79Å; E43-Y51 HydrophobicContact CB-CG 4.08Å; E43-Y51 HydrophobicContact CG-CD1 3.78Å; E43-Y51 HydrophobicContact CG-CE1 3.66Å
44T82.6Confident86.1Confident131 Ų13157.2 Ų57.280%0.80431%0.305SS*.G310 helixtrans-100.6-0.3-177.659.50000113.4L42L42-T44 VanDerWaalsContact C-N 3.26Å; L42-T44 PolarHBondContact O-N 3.3Å
45G81.6Confident86.3Confident27 Ų2759.6 Ų59.628%0.27832%0.318SS..SBendtrans-97-177.3-172.200000115.1L42 H47 A48L42-G45 PolarHBondContact O-N 3.17Å; G45-H47 PolarHBondContact O-N 2.9Å; G45-H47 VanDerWaalsContact O-N 3.13Å; G45-A48 WeakPolarHBondContact O-CB 3.35Å; G45-A48 PolarHBondContact O-N 3.39Å; G45-A48 VanDerWaalsContact O-N 3.11Å
46P82Confident86.5Confident123 Ų12354 Ų5480%0.79929%0.292SS*.THydrogen-bonded Turntrans-64-16.1175.327.5-35.2000113.5
47H84.6Confident86.7Confident51 Ų5152.9 Ų52.924%0.23629%0.286CS..THydrogen-bonded Turntrans-101.618.4177.5-60.2-63.2000113.1L42 G45 P49 V50 Y51L42-H47 HydrophobicContact CD2-CB 4.16Å; G45-H47 PolarHBondContact O-N 2.9Å; G45-H47 VanDerWaalsContact O-N 3.13Å; H47-P49 VanDerWaalsContact C-N 3.26Å; H47-V50 WeakPolarHBondContact O-CB 3.33Å; H47-V50 PolarHBondContact O-N 3.43Å; H47-Y51 PolarHBondContact O-N 2.98Å
48A86.1Confident86.9Confident18 Ų1849.3 Ų49.315%0.14926%0.263CS..Hα-helixtrans-49.1-37.2174.600000114.4L42 E43 G45 V50 Y51 Q52L42-A48 WeakPolarHBondContact O-CA 3.5Å; L42-A48 PolarHBondContact O-N 2.9Å; E43-A48 WeakPolarHBondContact O-CB 3.38Å; G45-A48 WeakPolarHBondContact O-CB 3.35Å; G45-A48 PolarHBondContact O-N 3.39Å; G45-A48 VanDerWaalsContact O-N 3.11Å; A48-V50 PolarHBondContact O-N 3.28Å; A48-Y51 PolarHBondContact O-N 3.49Å; A48-Q52 WeakPolarHBondContact O-CG 3.44Å; A48-Q52 PolarHBondContact O-N 3.48Å
49P88.8Confident87.1Confident47 Ų4750.8 Ų50.831%0.30527%0.266SS..Hα-helixtrans-59.8-31.6174.7-27.937.4000114.4H47 L53 P73H47-P49 VanDerWaalsContact C-N 3.26Å; P49-L53 WeakPolarHBondContact O-CB 3.35Å; P49-L53 PolarHBondContact O-N 2.84Å; P49-P73 HydrophobicContact CB-CG 4.18Å
50V87.9Confident87.2Confident19 Ų1951.1 Ų51.112%0.11527%0.27CS..Hα-helixtrans-74-39178.1-179.20000110.5A15 I18 H47 A48 L53 L54 P73A15-V50 HydrophobicContact CB-CG1 4.32Å; A15-V50 HydrophobicContact CB-CG2 4.21Å; I18-V50 HydrophobicContact CB-CG1 4.07Å; I18-V50 HydrophobicContact CD1-CG1 4.09Å; I18-V50 HydrophobicContact CG2-CG1 3.83Å; H47-V50 WeakPolarHBondContact O-CB 3.33Å; H47-V50 PolarHBondContact O-N 3.43Å; A48-V50 PolarHBondContact O-N 3.28Å; V50-L53 WeakPolarHBondContact O-CB 3.32Å; V50-L53 PolarHBondContact O-N 3.25Å; V50-L54 PolarHBondContact O-N 3.34Å; V50-P73 HydrophobicContact CG2-CG 4.22Å
51Y88.9Confident87.5Confident22 Ų2246.3 Ų46.39%0.08626%0.256CS..Hα-helixtrans-63-46.3172.7180-95.9000111.5L34 V39 E43 H47 A48 L53 L54 N55L34-Y51 HydrophobicContact CD1-CD2 4.18Å; L34-Y51 HydrophobicContact CD1-CE2 3.55Å; L34-Y51 HydrophobicContact CG-CE2 4.15Å; V39-Y51 HydrophobicContact CG1-CD2 3.91Å; V39-Y51 HydrophobicContact CG1-CE2 4.09Å; V39-Y51 WeakPolarHBondContact O-CD2 3.49Å; E43-Y51 HydrophobicContact CB-CD1 3.73Å; E43-Y51 HydrophobicContact CB-CD2 4.45Å; E43-Y51 HydrophobicContact CB-CE1 3.79Å; E43-Y51 HydrophobicContact CB-CG 4.08Å; E43-Y51 HydrophobicContact CG-CD1 3.78Å; E43-Y51 HydrophobicContact CG-CE1 3.66Å; H47-Y51 PolarHBondContact O-N 2.98Å; A48-Y51 PolarHBondContact O-N 3.49Å; Y51-L53 VanDerWaalsContact C-N 3.25Å; Y51-L53 PolarHBondContact O-N 2.91Å; Y51-L54 PolarHBondContact O-N 3.01Å; Y51-L54 VanDerWaalsContact O-N 3.15Å; Y51-N55 WeakPolarHBondContact O-CB 3.18Å; Y51-N55 PolarHBondContact O-N 3.49Å
52Q89.1Confident87.8Confident90 Ų9040.3 Ų40.342%0.42123%0.228SC..Hα-helixtrans-60.5-37.2175.9-70.4175.611.100111.8A48 N55 L56 L72A48-Q52 WeakPolarHBondContact O-CG 3.44Å; A48-Q52 PolarHBondContact O-N 3.48Å; Q52-N55 PolarHBondContact O-N 3.47Å; Q52-L56 WeakPolarHBondContact O-CB 3.37Å; Q52-L56 PolarHBondContact O-N 3.43Å; Q52-L72 HydrophobicContact CB-CD2 3.77Å
53L90.7Very high88.1Confident5 Ų541.5 Ų41.53%0.02624%0.237CC..Hα-helixtrans-64.7-45.4174.5-17266.3000111.5L22 P49 V50 Y51 N55 L56 F57 Y65 L72 P73 L75L22-L53 HydrophobicContact CD1-CD2 3.85Å; L22-L53 HydrophobicContact CD1-CG 4.13Å; P49-L53 WeakPolarHBondContact O-CB 3.35Å; P49-L53 PolarHBondContact O-N 2.84Å; V50-L53 WeakPolarHBondContact O-CB 3.32Å; V50-L53 PolarHBondContact O-N 3.25Å; Y51-L53 VanDerWaalsContact C-N 3.25Å; Y51-L53 PolarHBondContact O-N 2.91Å; L53-N55 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 2.71Å; L53-L56 WeakPolarHBondContact O-CA 3.5Å; L53-L56 WeakPolarHBondContact O-CB 3.39Å; L53-L56 PolarHBondContact O-N 3.46Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L53-F57 HydrophobicContact CD1-CD2 4.36Å; L53-F57 HydrophobicContact CD1-CE2 4.02Å; L53-F57 HydrophobicContact CG-CD2 4.28Å; L53-F57 HydrophobicContact CG-CE2 4.13Å; L53-F57 WeakPolarHBondContact O-CD2 3.31Å; L53-F57 PolarHBondContact O-N 3.1Å; L53-Y65 HydrophobicContact CD1-CD2 4.13Å; L53-Y65 HydrophobicContact CD1-CE2 4.17Å; L53-L72 HydrophobicContact CB-CD2 4.34Å; L53-L72 HydrophobicContact CD1-CD1 4.32Å; L53-P73 HydrophobicContact CD2-CB 4.46Å; L53-P73 HydrophobicContact CD2-CG 4.37Å; L53-L75 HydrophobicContact CD1-CD2 3.98Å; L53-L75 HydrophobicContact CD2-CD2 3.87Å; L53-L75 HydrophobicContact CG-CD2 4.4Å
54L90.4Very high88.4Confident0 Ų038.3 Ų38.30%022%0.223CC..Hα-helixtrans-60.9-43.1175.8-178.263.2000111.7I18 L22 F30 I33 L34 V39 V50 Y51 L56 F57 A58I18-L54 HydrophobicContact CG2-CB 4.33Å; I18-L54 HydrophobicContact CG2-CD1 4.44Å; L22-L54 HydrophobicContact CD2-CD1 3.91Å; F30-L54 HydrophobicContact CB-CD1 4Å; F30-L54 HydrophobicContact CD1-CD1 3.8Å; F30-L54 HydrophobicContact CG-CD1 4.11Å; I33-L54 HydrophobicContact CG2-CD2 3.99Å; L34-L54 HydrophobicContact CD1-CB 4.4Å; L34-L54 HydrophobicContact CD1-CD2 3.92Å; L34-L54 HydrophobicContact CD1-CG 3.96Å; V39-L54 HydrophobicContact CG1-CD2 3.7Å; V50-L54 PolarHBondContact O-N 3.34Å; Y51-L54 PolarHBondContact O-N 3.01Å; Y51-L54 VanDerWaalsContact O-N 3.15Å; L54-L56 PolarHBondContact O-N 2.98Å; L54-F57 PolarHBondContact O-N 2.7Å; L54-F57 VanDerWaalsContact O-N 3.08Å; L54-A58 PolarHBondContact O-N 3.41Å
55N89.9Confident88.8Confident64 Ų6432.9 Ų32.934%0.34219%0.188SC..Hα-helixtrans-60.5-35.2174.9-169.852.1000112L34 Y51 Q52 L53 A58 Y59L34-N55 HydrophobicContact CD1-CB 4.3Å; Y51-N55 WeakPolarHBondContact O-CB 3.18Å; Y51-N55 PolarHBondContact O-N 3.49Å; Q52-N55 PolarHBondContact O-N 3.47Å; L53-N55 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 2.71Å; N55-A58 PolarHBondContact O-N 2.83Å; N55-Y59 PolarHBondContact O-N 3.08Å; N55-Y59 WeakPolarHBondContact OD1-CD2 3.42Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.43Å
56L91.2Very high89.1Confident7 Ų736 Ų364%0.03719%0.194CC..Hα-helixtrans-65.3-40.8173.3-161.888000112.3Q52 L53 L54 A58 G60 D64 Y65 L72 L83Q52-L56 WeakPolarHBondContact O-CB 3.37Å; Q52-L56 PolarHBondContact O-N 3.43Å; L53-L56 WeakPolarHBondContact O-CA 3.5Å; L53-L56 WeakPolarHBondContact O-CB 3.39Å; L53-L56 PolarHBondContact O-N 3.46Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L54-L56 PolarHBondContact O-N 2.98Å; L56-A58 VanDerWaalsContact C-N 3.32Å; L56-G60 CarbonylContact O-C 3.39Å; L56-G60 WeakPolarHBondContact O-CA 3.5Å; L56-G60 PolarHBondContact O-N 3.34Å; L56-D64 HydrophobicContact CD1-CB 3.55Å; L56-Y65 HydrophobicContact CD2-CD2 4.14Å; L56-Y65 HydrophobicContact CD2-CG 4.31Å; L56-L72 HydrophobicContact CD2-CD1 4.32Å; L56-L83 HydrophobicContact CD2-CD1 4.43Å; L56-L83 HydrophobicContact CD2-CD2 3.81Å
57F91.1Very high89.4Confident0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-68.2-33.4176.6-88.1-106.8000112.3L22 F30 L53 L54 L75 Q79 K82 L83 L86L22-F57 HydrophobicContact CD1-CD2 4.28Å; L22-F57 HydrophobicContact CD1-CE2 4.22Å; L22-F57 HydrophobicContact CD2-CB 3.92Å; L22-F57 HydrophobicContact CD2-CD1 3.8Å; L22-F57 HydrophobicContact CD2-CD2 4.01Å; L22-F57 HydrophobicContact CD2-CE1 4.3Å; L22-F57 HydrophobicContact CD2-CE2 4.48Å; L22-F57 HydrophobicContact CD2-CG 3.63Å; F30-F57 HydrophobicContact CD2-CB 3.98Å; F30-F57 HydrophobicContact CE2-CB 4Å; F30-F57 HydrophobicContact CE2-CD1 4.16Å; F30-F57 HydrophobicContact CZ-CD1 4.27Å; L53-F57 HydrophobicContact CD1-CD2 4.36Å; L53-F57 HydrophobicContact CD1-CE2 4.02Å; L53-F57 HydrophobicContact CG-CD2 4.28Å; L53-F57 HydrophobicContact CG-CE2 4.13Å; L53-F57 WeakPolarHBondContact O-CD2 3.31Å; L53-F57 PolarHBondContact O-N 3.1Å; L54-F57 PolarHBondContact O-N 2.7Å; L54-F57 VanDerWaalsContact O-N 3.08Å; F57-L75 HydrophobicContact CE2-CD2 3.95Å; F57-L75 HydrophobicContact CZ-CD2 4.08Å; F57-Q79 HydrophobicContact CZ-CB 4.14Å; F57-Q79 WeakPolarHBondContact CZ-O 3.49Å; F57-K82 HydrophobicContact CE1-CB 4.28Å; F57-K82 HydrophobicContact CE1-CD 4.32Å; F57-K82 HydrophobicContact CE1-CG 4.4Å; F57-L83 HydrophobicContact CD1-CD1 4.46Å; F57-L83 HydrophobicContact CD2-CD1 4.29Å; F57-L83 HydrophobicContact CE1-CB 3.99Å; F57-L83 HydrophobicContact CE2-CB 4.37Å; F57-L83 HydrophobicContact CE2-CD1 4.36Å; F57-L83 HydrophobicContact CE2-CD2 4.32Å; F57-L83 HydrophobicContact CG-CD1 4.35Å; F57-L83 HydrophobicContact CZ-CB 3.82Å; F57-L83 HydrophobicContact CZ-CD1 4.49Å; F57-L86 HydrophobicContact CB-CD1 4.37Å; F57-L86 HydrophobicContact CD1-CD1 3.61Å; F57-L86 HydrophobicContact CE1-CD1 4.33Å; F57-L86 HydrophobicContact CG-CD1 4.32Å; F57-L86 WeakPolarHBondContact O-CD1 3.39Å
58A89.8Confident89.6Confident0 Ų040.5 Ų40.50%020%0.2CC..Hα-helixtrans-68.3-55.4174.500000111.5F30 L54 N55 L56 D148F30-A58 HydrophobicContact CB-CB 4.15Å; L54-A58 PolarHBondContact O-N 3.41Å; N55-A58 PolarHBondContact O-N 2.83Å; L56-A58 VanDerWaalsContact C-N 3.32Å; A58-D148 WeakPolarHBondContact CA-OD2 3.45Å; A58-D148 HydrophobicContact CB-CB 4.15Å; A58-D148 WeakPolarHBondContact O-CB 3.39Å
59Y89.3Confident89.4Confident67 Ų6741.9 Ų41.926%0.26321%0.211SC..Hα-helixtrans-117.2-21.4-166.6-50.6-61.2000115.2S31 L34 N55 R147 D148 L149S31-Y59 PolarHBondContact OG-OH 2.75Å; L34-Y59 HydrophobicContact CD2-CE2 3.71Å; N55-Y59 PolarHBondContact O-N 3.08Å; N55-Y59 WeakPolarHBondContact OD1-CD2 3.42Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.43Å; Y59-R147 PolarHBondContact O-NH1 2.98Å; Y59-R147 PolarHBondContact O-NH2 3.27Å; Y59-D148 HydrophobicContact CD1-CB 4.29Å; Y59-D148 HydrophobicContact CE1-CB 4Å; Y59-L149 WeakPolarHBondContact CE1-O 3.32Å
60G88.9Confident89.1Confident9 Ų945 Ų459%0.09324%0.241CC..  trans-91.2-179.4-172.700000114.6L56 R147L56-G60 CarbonylContact O-C 3.39Å; L56-G60 WeakPolarHBondContact O-CA 3.5Å; L56-G60 PolarHBondContact O-N 3.34Å; G60-R147 PolarHBondContact O-NH1 2.96Å
61T90.9Very high88.9Confident36 Ų3647 Ų4722%0.22126%0.256CS..  trans-121175.218066.50000112C63 D64 Y65T61-C63 VanDerWaalsContact C-N 3.32Å; T61-C63 PolarHBondContact O-N 2.91Å; T61-D64 WeakPolarHBondContact CB-OD2 3.43Å; T61-D64 PolarHBondContact N-OD2 3.05Å; T61-D64 WeakPolarHBondContact O-CB 3.42Å; T61-D64 PolarHBondContact O-N 3.22Å; T61-D64 PolarHBondContact OG1-N 3.42Å; T61-D64 PolarHBondContact OG1-OD2 2.9Å; T61-Y65 PolarHBondContact O-N 2.9Å
62Y91.1Very high88.8Confident9 Ų946.6 Ų46.64%0.03526%0.255CS..Hα-helixtrans-64.6-35.5174.9-173.1-106.3000112.6D64 Y65 K66 R80 L83 R84 S87 L107 E108Y62-D64 VanDerWaalsContact C-N 3.31Å; Y62-D64 PolarHBondContact O-N 3.17Å; Y62-Y65 HydrophobicContact CE2-CD1 4.17Å; Y62-Y65 WeakPolarHBondContact O-CB 3.44Å; Y62-Y65 PolarHBondContact O-N 3.19Å; Y62-K66 HydrophobicContact CD1-CG 4.46Å; Y62-K66 HydrophobicContact CE1-CD 4.48Å; Y62-K66 HydrophobicContact CE1-CG 4.03Å; Y62-K66 PolarHBondContact O-N 3.42Å; Y62-K66 VanDerWaalsContact O-N 3.15Å; Y62-R80 HydrophobicContact CE2-CG 3.67Å; Y62-L83 HydrophobicContact CD2-CD2 4.01Å; Y62-L83 HydrophobicContact CD2-CG 4.27Å; Y62-R84 HydrophobicContact CD2-CG 4.07Å; Y62-R84 HydrophobicContact CG-CG 4.08Å; Y62-S87 WeakPolarHBondContact CB-OG 3.44Å; Y62-S87 PolarHBondContact N-OG 2.93Å; Y62-L107 VanDerWaalsContact CE1-O 3.31Å; Y62-L107 WeakPolarHBondContact CE1-O 3.42Å; Y62-E108 HydrophobicContact CE1-CB 3.91Å
63C90.1Very high88.6Confident37 Ų3744.4 Ų44.425%0.2525%0.249CC..Hα-helixtrans-60.7-42.1172.8-72.10000111.6T61 Y65 K66 E67 Q106T61-C63 VanDerWaalsContact C-N 3.32Å; T61-C63 PolarHBondContact O-N 2.91Å; C63-Y65 VanDerWaalsContact C-N 3.29Å; C63-Y65 PolarHBondContact O-N 3.11Å; C63-K66 WeakPolarHBondContact O-CB 3.18Å; C63-K66 PolarHBondContact O-N 3.03Å; C63-K66 VanDerWaalsContact O-N 3.08Å; C63-E67 PolarHBondContact O-N 2.88Å; C63-Q106 PolarHBondContact SG-O 2.92Å; C63-Q106 PolarHBondContact SG-OE1 3.34Å
64D90.7Very high88.4Confident43 Ų4353 Ų5323%0.2329%0.288CS..Hα-helixtrans-62.6-34.9177.1-69.5-67.4000113.2L56 T61 Y62 R68L56-D64 HydrophobicContact CD1-CB 3.55Å; T61-D64 WeakPolarHBondContact CB-OD2 3.43Å; T61-D64 PolarHBondContact N-OD2 3.05Å; T61-D64 WeakPolarHBondContact O-CB 3.42Å; T61-D64 PolarHBondContact O-N 3.22Å; T61-D64 PolarHBondContact OG1-N 3.42Å; T61-D64 PolarHBondContact OG1-OD2 2.9Å; Y62-D64 VanDerWaalsContact C-N 3.31Å; Y62-D64 PolarHBondContact O-N 3.17Å; D64-R68 PolarHBondContact O-N 3.36Å; D64-R68 PolarHBondContact O-NE 3.45Å; D64-R68 IonicContact OD1-NH2 3.06Å; D64-R68 PolarHBondContact OD1-NH2 2.92Å
65Y91.4Very high88.3Confident16 Ų1653.4 Ų53.46%0.06329%0.291CS..Hα-helixtrans-62.9-45.4172.6175-107000110.7L53 L56 T61 Y62 C63 E67 R68 A69 L72 P73 L75 L83L53-Y65 HydrophobicContact CD1-CD2 4.13Å; L53-Y65 HydrophobicContact CD1-CE2 4.17Å; L56-Y65 HydrophobicContact CD2-CD2 4.14Å; L56-Y65 HydrophobicContact CD2-CG 4.31Å; T61-Y65 PolarHBondContact O-N 2.9Å; Y62-Y65 HydrophobicContact CE2-CD1 4.17Å; Y62-Y65 WeakPolarHBondContact O-CB 3.44Å; Y62-Y65 PolarHBondContact O-N 3.19Å; C63-Y65 VanDerWaalsContact C-N 3.29Å; C63-Y65 PolarHBondContact O-N 3.11Å; Y65-E67 PolarHBondContact O-N 3.39Å; Y65-R68 CarbonylContact O-C 3.27Å; Y65-R68 VanDerWaalsContact O-C 3.27Å; Y65-R68 PolarHBondContact O-N 3.08Å; Y65-R68 VanDerWaalsContact O-N 3.13Å; Y65-A69 WeakPolarHBondContact O-CA 3.39Å; Y65-A69 PolarHBondContact O-N 3.39Å; Y65-L72 HydrophobicContact CD2-CB 4.37Å; Y65-L72 HydrophobicContact CD2-CD1 3.68Å; Y65-L72 HydrophobicContact CE2-CB 4.02Å; Y65-L72 HydrophobicContact CE2-CD1 4.18Å; Y65-P73 PolarHBondContact OH-O 2.94Å; Y65-P73 VanDerWaalsContact OH-O 3.13Å; Y65-L75 HydrophobicContact CD1-CD1 3.86Å; Y65-L75 HydrophobicContact CD2-CD1 3.68Å; Y65-L75 HydrophobicContact CD2-CG 4.22Å; Y65-L75 HydrophobicContact CE1-CD1 3.67Å; Y65-L75 HydrophobicContact CE1-CG 4.15Å; Y65-L75 HydrophobicContact CE2-CD1 3.5Å; Y65-L75 HydrophobicContact CE2-CG 3.56Å; Y65-L75 HydrophobicContact CG-CD1 3.86Å; Y65-L75 VanDerWaalsContact CZ-CD1 3.49Å; Y65-L75 PolarHBondContact OH-N 2.78Å; Y65-L83 HydrophobicContact CG-CD2 4.15Å
66K87.9Confident88.3Confident92 Ų9252.6 Ų52.640%0.429%0.288SS..Hα-helixtrans-61.6-42.6-178.1-79.1-78.5-62.5-158.70112.3Y62 C63 R68 A69 E108Y62-K66 HydrophobicContact CD1-CG 4.46Å; Y62-K66 HydrophobicContact CE1-CD 4.48Å; Y62-K66 HydrophobicContact CE1-CG 4.03Å; Y62-K66 PolarHBondContact O-N 3.42Å; Y62-K66 VanDerWaalsContact O-N 3.15Å; C63-K66 WeakPolarHBondContact O-CB 3.18Å; C63-K66 PolarHBondContact O-N 3.03Å; C63-K66 VanDerWaalsContact O-N 3.08Å; K66-R68 PolarHBondContact O-N 2.84Å; K66-A69 WeakPolarHBondContact O-CB 3.28Å; K66-A69 PolarHBondContact O-N 2.88Å; K66-E108 WeakPolarHBondContact CD-OE2 3.32Å; K66-E108 WeakPolarHBondContact CE-OE2 3.45Å; K66-E108 IonicContact NZ-OE1 2.71Å; K66-E108 PolarHBondContact NZ-OE1 3.34Å; K66-E108 IonicContact NZ-OE2 2.65Å; K66-E108 PolarHBondContact NZ-OE2 3.31Å
67E89.1Confident88.2Confident159 Ų15957.1 Ų57.174%0.74332%0.318SS*.Hα-helixtrans-64.4-31.8176.5-68.7-179.3-178.100112.3C63 Y65C63-E67 PolarHBondContact O-N 2.88Å; Y65-E67 PolarHBondContact O-N 3.39Å
68R88.2Confident88.1Confident111 Ų11159.5 Ų59.542%0.41934%0.337SS..THydrogen-bonded Turntrans-104.114.1-178.4-69.3178.4-94.7-146.8-9.8113.8D64 Y65 K66 A70 S71 L72D64-R68 PolarHBondContact O-N 3.36Å; D64-R68 PolarHBondContact O-NE 3.45Å; D64-R68 IonicContact OD1-NH2 3.06Å; D64-R68 PolarHBondContact OD1-NH2 2.92Å; Y65-R68 CarbonylContact O-C 3.27Å; Y65-R68 VanDerWaalsContact O-C 3.27Å; Y65-R68 PolarHBondContact O-N 3.08Å; Y65-R68 VanDerWaalsContact O-N 3.13Å; K66-R68 PolarHBondContact O-N 2.84Å; R68-A70 PolarHBondContact O-N 3.19Å; R68-A70 VanDerWaalsContact O-N 3.1Å; R68-S71 PolarHBondContact O-N 2.8Å; R68-S71 PolarHBondContact O-OG 3.23Å; R68-L72 HydrophobicContact CB-CD1 3.69Å; R68-L72 HydrophobicContact CB-CG 4.04Å; R68-L72 WeakPolarHBondContact O-CG 3.35Å; R68-L72 PolarHBondContact O-N 3.18Å
69A82.3Confident88.2Confident46 Ų4659.9 Ų59.938%0.3834%0.339SS..THydrogen-bonded Turntrans-62.1-26.2-172.800000112.9Y65 K66Y65-A69 WeakPolarHBondContact O-CA 3.39Å; Y65-A69 PolarHBondContact O-N 3.39Å; K66-A69 WeakPolarHBondContact O-CB 3.28Å; K66-A69 PolarHBondContact O-N 2.88Å
70A83Confident88.2Confident113 Ų11361.1 Ų61.193%0.93434%0.344SS*.THydrogen-bonded Turntrans-73.6-24.8176.400000113.8R68R68-A70 PolarHBondContact O-N 3.19Å; R68-A70 VanDerWaalsContact O-N 3.1Å
71S83.6Confident88.4Confident61 Ų6162.9 Ų62.943%0.42735%0.351SS..THydrogen-bonded Turntrans-101.8-17.1-178.652.10000113.6R68R68-S71 PolarHBondContact O-N 2.8Å; R68-S71 PolarHBondContact O-OG 3.23Å
72L86.4Confident88.4Confident13 Ų1361.6 Ų61.67%0.06834%0.342CS..SBendtrans-99.6153.7-175.9-66.1175.4000111.7Q52 L53 L56 Y65 R68Q52-L72 HydrophobicContact CB-CD2 3.77Å; L53-L72 HydrophobicContact CB-CD2 4.34Å; L53-L72 HydrophobicContact CD1-CD1 4.32Å; L56-L72 HydrophobicContact CD2-CD1 4.32Å; Y65-L72 HydrophobicContact CD2-CB 4.37Å; Y65-L72 HydrophobicContact CD2-CD1 3.68Å; Y65-L72 HydrophobicContact CE2-CB 4.02Å; Y65-L72 HydrophobicContact CE2-CD1 4.18Å; R68-L72 HydrophobicContact CB-CD1 3.69Å; R68-L72 HydrophobicContact CB-CG 4.04Å; R68-L72 WeakPolarHBondContact O-CG 3.35Å; R68-L72 PolarHBondContact O-N 3.18Å
73P85.1Confident88.5Confident45 Ų4561.1 Ų61.129%0.29234%0.34SS..PPolyproline II helixtrans-58.9151171.5-21.333.2000112.4P49 V50 L53 Y65 L75P49-P73 HydrophobicContact CB-CG 4.18Å; V50-P73 HydrophobicContact CG2-CG 4.22Å; L53-P73 HydrophobicContact CD2-CB 4.46Å; L53-P73 HydrophobicContact CD2-CG 4.37Å; Y65-P73 PolarHBondContact OH-O 2.94Å; Y65-P73 VanDerWaalsContact OH-O 3.13Å; P73-L75 PolarHBondContact O-N 3.33Å
74E86.9Confident88.6Confident184 Ų18460.8 Ų60.886%0.8633%0.334SS*.PPolyproline II helixtrans-65.5129.1172.9-69.6-166.5163.600110.7
75L87.6Confident88.7Confident10 Ų1058.8 Ų58.85%0.05232%0.323CS..PPolyproline II helixtrans-82135.6178.1-72176.4000111.6L53 F57 Y65 P73 Q79 R80 L83L53-L75 HydrophobicContact CD1-CD2 3.98Å; L53-L75 HydrophobicContact CD2-CD2 3.87Å; L53-L75 HydrophobicContact CG-CD2 4.4Å; F57-L75 HydrophobicContact CE2-CD2 3.95Å; F57-L75 HydrophobicContact CZ-CD2 4.08Å; Y65-L75 HydrophobicContact CD1-CD1 3.86Å; Y65-L75 HydrophobicContact CD2-CD1 3.68Å; Y65-L75 HydrophobicContact CD2-CG 4.22Å; Y65-L75 HydrophobicContact CE1-CD1 3.67Å; Y65-L75 HydrophobicContact CE1-CG 4.15Å; Y65-L75 HydrophobicContact CE2-CD1 3.5Å; Y65-L75 HydrophobicContact CE2-CG 3.56Å; Y65-L75 HydrophobicContact CG-CD1 3.86Å; Y65-L75 VanDerWaalsContact CZ-CD1 3.49Å; Y65-L75 PolarHBondContact OH-N 2.78Å; P73-L75 PolarHBondContact O-N 3.33Å; L75-Q79 HydrophobicContact CB-CB 4.48Å; L75-Q79 HydrophobicContact CD2-CB 3.82Å; L75-R80 HydrophobicContact CB-CB 4.44Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å
76T89.8Confident88.7Confident46 Ų4658 Ų5828%0.28232%0.32SS..PPolyproline II helixtrans-65.3158.8166.573.10000110.4E23 A78 Q79 R80E23-T76 VanDerWaalsContact OE1-CB 3.24Å; E23-T76 WeakPolarHBondContact OE1-CB 3.48Å; E23-T76 WeakPolarHBondContact OE1-CG2 3.47Å; E23-T76 PolarHBondContact OE1-OG1 3.5Å; T76-A78 PolarHBondContact O-N 3.31Å; T76-Q79 PolarHBondContact O-N 2.84Å; T76-Q79 VanDerWaalsContact OG1-CG 3.28Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.44Å; T76-Q79 PolarHBondContact OG1-N 2.9Å; T76-R80 WeakPolarHBondContact O-CB 3.24Å; T76-R80 PolarHBondContact O-N 2.82Å
77P89.3Confident88.9Confident102 Ų10253.8 Ų53.866%0.66230%0.302SS*.Hα-helixtrans-55.5-38.3177.2-26.435.3000113.3R80 N81P77-R80 PolarHBondContact O-N 2.93Å; P77-N81 PolarHBondContact O-N 3.34Å
78A89.3Confident89Confident50 Ų5046.3 Ų46.341%0.41327%0.267SS..Hα-helixtrans-66.6-48178.600000112E23 T76 R80 N81 K82E23-A78 HydrophobicContact CG-CB 3.74Å; T76-A78 PolarHBondContact O-N 3.31Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 3.47Å; A78-N81 PolarHBondContact O-N 3.41Å; A78-K82 PolarHBondContact O-N 3.09Å
79Q90.3Very high89.2Confident8 Ų841 Ų414%0.03725%0.247CC..Hα-helixtrans-62.9-36.2176.5-64.7169.5-22.200111.7S19 L22 E23 F57 L75 T76 K82 L83S19-Q79 PolarHBondContact O-NE2 2.97Å; L22-Q79 HydrophobicContact CB-CG 4.1Å; E23-Q79 HydrophobicContact CB-CG 4.29Å; E23-Q79 HydrophobicContact CG-CG 4.1Å; F57-Q79 HydrophobicContact CZ-CB 4.14Å; F57-Q79 WeakPolarHBondContact CZ-O 3.49Å; L75-Q79 HydrophobicContact CB-CB 4.48Å; L75-Q79 HydrophobicContact CD2-CB 3.82Å; T76-Q79 PolarHBondContact O-N 2.84Å; T76-Q79 VanDerWaalsContact OG1-CG 3.28Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.44Å; T76-Q79 PolarHBondContact OG1-N 2.9Å; Q79-K82 WeakPolarHBondContact O-CB 3.46Å; Q79-K82 PolarHBondContact O-N 3.3Å; Q79-L83 PolarHBondContact O-N 3.22Å
80R91.3Very high89.5Confident94 Ų9439.7 Ų39.736%0.35524%0.235SC..Hα-helixtrans-62.8-46.8175.5-172.7178.3-59.71696.4112.2Y62 L75 T76 P77 A78 K82 L83 R84Y62-R80 HydrophobicContact CE2-CG 3.67Å; L75-R80 HydrophobicContact CB-CB 4.44Å; T76-R80 WeakPolarHBondContact O-CB 3.24Å; T76-R80 PolarHBondContact O-N 2.82Å; P77-R80 PolarHBondContact O-N 2.93Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 3.47Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.11Å; R80-L83 PolarHBondContact O-N 3.45Å; R80-R84 WeakPolarHBondContact O-CG 3.15Å; R80-R84 PolarHBondContact O-N 3.37Å
81N91.3Very high89.9Confident45 Ų4535.9 Ų35.924%0.24120%0.199CC..Hα-helixtrans-62.2-40.3176.5-74.40.7000111P77 A78 L83 R84 H85 L118P77-N81 PolarHBondContact O-N 3.34Å; A78-N81 PolarHBondContact O-N 3.41Å; N81-L83 PolarHBondContact O-N 3.27Å; N81-R84 CarbonylContact O-C 3.58Å; N81-R84 WeakPolarHBondContact O-CA 3.36Å; N81-R84 WeakPolarHBondContact O-CB 3.29Å; N81-R84 PolarHBondContact O-N 2.75Å; N81-R84 VanDerWaalsContact O-N 3.15Å; N81-H85 PolarHBondContact O-CD2 3.42Å; N81-H85 VanDerWaalsContact O-CG 3.32Å; N81-H85 PolarHBondContact O-N 2.93Å; N81-L118 HydrophobicContact CB-CD2 3.96Å
82K91.9Very high90.3Very high9 Ų933.5 Ų33.54%0.03918%0.183CC..Hα-helixtrans-62.1-43.4175.6-164.8-179.8-173.5172.70113.1L21 L22 T24 L27 Y28 F57 A78 Q79 R80 R84 H85 L86L21-K82 PolarHBondContact O-NZ 3.47Å; L22-K82 WeakPolarHBondContact O-CD 3.3Å; L22-K82 WeakPolarHBondContact O-CE 3.47Å; L22-K82 PolarHBondContact O-NZ 2.93Å; T24-K82 PolarHBondContact O-NZ 2.85Å; L27-K82 WeakPolarHBondContact O-CE 3.41Å; L27-K82 PolarHBondContact O-NZ 3.5Å; Y28-K82 HydrophobicContact CD1-CG 4.18Å; Y28-K82 HydrophobicContact CE1-CD 4.44Å; Y28-K82 HydrophobicContact CE1-CG 3.56Å; F57-K82 HydrophobicContact CE1-CB 4.28Å; F57-K82 HydrophobicContact CE1-CD 4.32Å; F57-K82 HydrophobicContact CE1-CG 4.4Å; A78-K82 PolarHBondContact O-N 3.09Å; Q79-K82 WeakPolarHBondContact O-CB 3.46Å; Q79-K82 PolarHBondContact O-N 3.3Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.11Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.03Å; K82-H85 WeakPolarHBondContact O-CB 3.37Å; K82-H85 PolarHBondContact O-N 3.31Å; K82-L86 WeakPolarHBondContact O-CG 3.38Å; K82-L86 PolarHBondContact O-N 2.85Å
83L92.3Very high90.3Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-64.6-34.5175-173.159.7000112L56 F57 Y62 Y65 L75 Q79 R80 N81 L86 S87L56-L83 HydrophobicContact CD2-CD1 4.43Å; L56-L83 HydrophobicContact CD2-CD2 3.81Å; F57-L83 HydrophobicContact CD1-CD1 4.46Å; F57-L83 HydrophobicContact CD2-CD1 4.29Å; F57-L83 HydrophobicContact CE1-CB 3.99Å; F57-L83 HydrophobicContact CE2-CB 4.37Å; F57-L83 HydrophobicContact CE2-CD1 4.36Å; F57-L83 HydrophobicContact CE2-CD2 4.32Å; F57-L83 HydrophobicContact CG-CD1 4.35Å; F57-L83 HydrophobicContact CZ-CB 3.82Å; F57-L83 HydrophobicContact CZ-CD1 4.49Å; Y62-L83 HydrophobicContact CD2-CD2 4.01Å; Y62-L83 HydrophobicContact CD2-CG 4.27Å; Y65-L83 HydrophobicContact CG-CD2 4.15Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å; Q79-L83 PolarHBondContact O-N 3.22Å; R80-L83 PolarHBondContact O-N 3.45Å; N81-L83 PolarHBondContact O-N 3.27Å; L83-L86 PolarHBondContact O-N 3.22Å; L83-S87 WeakPolarHBondContact O-CB 3.41Å; L83-S87 PolarHBondContact O-N 2.82Å; L83-S87 PolarHBondContact O-OG 2.86Å
84R93Very high90.3Very high29 Ų2941.3 Ų41.311%0.10923%0.229CC..Hα-helixtrans-64.5-43.9171.2-72.4169.2168.2172.4-9.6111.6Y62 R80 N81 K82 L86 S87 I88 L107 L109Y62-R84 HydrophobicContact CD2-CG 4.07Å; Y62-R84 HydrophobicContact CG-CG 4.08Å; R80-R84 WeakPolarHBondContact O-CG 3.15Å; R80-R84 PolarHBondContact O-N 3.37Å; N81-R84 CarbonylContact O-C 3.58Å; N81-R84 WeakPolarHBondContact O-CA 3.36Å; N81-R84 WeakPolarHBondContact O-CB 3.29Å; N81-R84 PolarHBondContact O-N 2.75Å; N81-R84 VanDerWaalsContact O-N 3.15Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.03Å; R84-L86 PolarHBondContact O-N 3.32Å; R84-S87 WeakPolarHBondContact O-CB 3.5Å; R84-S87 PolarHBondContact O-N 3.44Å; R84-S87 VanDerWaalsContact O-N 3.16Å; R84-I88 WeakPolarHBondContact O-CG1 3.44Å; R84-I88 PolarHBondContact O-N 3.44Å; R84-L107 HydrophobicContact CB-CD2 3.93Å; R84-L107 HydrophobicContact CG-CB 4.3Å; R84-L107 HydrophobicContact CG-CD2 4.07Å; R84-L107 PolarHBondContact NE-O 3.14Å; R84-L107 VanDerWaalsContact NE-O 3.11Å; R84-L107 PolarHBondContact NH2-O 2.97Å; R84-L107 VanDerWaalsContact NH2-O 3.17Å; R84-L109 VanDerWaalsContact CZ-CD2 3.49Å
85H92Very high90.4Very high1 Ų136.4 Ų36.41%0.00521%0.208CC..Hα-helixtrans-58.6-46.8173.8-62.2164.7000111.6Y28 N81 K82 S87 I88 I89 L118 E121 I127Y28-H85 HydrophobicContact CE1-CB 4.13Å; N81-H85 PolarHBondContact O-CD2 3.42Å; N81-H85 VanDerWaalsContact O-CG 3.32Å; N81-H85 PolarHBondContact O-N 2.93Å; K82-H85 WeakPolarHBondContact O-CB 3.37Å; K82-H85 PolarHBondContact O-N 3.31Å; H85-S87 VanDerWaalsContact C-N 3.25Å; H85-S87 PolarHBondContact O-N 3.31Å; H85-I88 WeakPolarHBondContact O-CB 3.31Å; H85-I88 PolarHBondContact O-N 3.17Å; H85-I88 VanDerWaalsContact O-N 3.08Å; H85-I89 WeakPolarHBondContact O-CG1 3.31Å; H85-I89 PolarHBondContact O-N 2.78Å; H85-L118 PolarHBondContact NE2-O 2.76Å; H85-E121 IonicContact CE1-OE1 3.87Å; H85-I127 HydrophobicContact CB-CD1 4.09Å
86L92.1Very high90.5Very high0 Ų043.7 Ų43.70%024%0.239CC..Hα-helixtrans-60.4-35.8176.1-70165000112.5Y28 F30 F57 K82 L83 R84 I89 S90 R147Y28-L86 HydrophobicContact CD1-CD2 3.75Å; Y28-L86 HydrophobicContact CD1-CG 4.02Å; Y28-L86 HydrophobicContact CG-CD2 4.45Å; F30-L86 HydrophobicContact CE2-CD1 4.12Å; F57-L86 HydrophobicContact CB-CD1 4.37Å; F57-L86 HydrophobicContact CD1-CD1 3.61Å; F57-L86 HydrophobicContact CE1-CD1 4.33Å; F57-L86 HydrophobicContact CG-CD1 4.32Å; F57-L86 WeakPolarHBondContact O-CD1 3.39Å; K82-L86 WeakPolarHBondContact O-CG 3.38Å; K82-L86 PolarHBondContact O-N 2.85Å; L83-L86 PolarHBondContact O-N 3.22Å; R84-L86 PolarHBondContact O-N 3.32Å; L86-I89 HydrophobicContact CD2-CD1 4.25Å; L86-I89 PolarHBondContact O-N 3.07Å; L86-S90 PolarHBondContact O-N 3.47Å; L86-S90 PolarHBondContact O-OG 3.41Å; L86-R147 HydrophobicContact CD2-CG 4.11Å
87S92.1Very high90.7Very high4 Ų444.4 Ų44.43%0.02825%0.245CC..Hα-helixtrans-68.1-40174.9-56.20000111.5Y62 L83 R84 H85 S90 L91Y62-S87 WeakPolarHBondContact CB-OG 3.44Å; Y62-S87 PolarHBondContact N-OG 2.93Å; L83-S87 WeakPolarHBondContact O-CB 3.41Å; L83-S87 PolarHBondContact O-N 2.82Å; L83-S87 PolarHBondContact O-OG 2.86Å; R84-S87 WeakPolarHBondContact O-CB 3.5Å; R84-S87 PolarHBondContact O-N 3.44Å; R84-S87 VanDerWaalsContact O-N 3.16Å; H85-S87 VanDerWaalsContact C-N 3.25Å; H85-S87 PolarHBondContact O-N 3.31Å; S87-S90 WeakPolarHBondContact O-CB 3.19Å; S87-S90 PolarHBondContact O-N 3.1Å; S87-L91 WeakPolarHBondContact O-CG 3.18Å; S87-L91 PolarHBondContact O-N 2.97Å
88I91.7Very high90.9Very high1 Ų139.5 Ų39.51%0.00521%0.214CC..Hα-helixtrans-61.8-45.3174.1-65.8162.2000110.6R84 H85 S90 L91 A92 L98 L103 L107 L119 I128R84-I88 WeakPolarHBondContact O-CG1 3.44Å; R84-I88 PolarHBondContact O-N 3.44Å; H85-I88 WeakPolarHBondContact O-CB 3.31Å; H85-I88 PolarHBondContact O-N 3.17Å; H85-I88 VanDerWaalsContact O-N 3.08Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.32Å; I88-L91 PolarHBondContact O-N 2.9Å; I88-A92 WeakPolarHBondContact O-CB 2.98Å; I88-A92 PolarHBondContact O-N 2.84Å; I88-L98 HydrophobicContact CG2-CD1 4.48Å; I88-L103 HydrophobicContact CG1-CD2 4.16Å; I88-L107 HydrophobicContact CD1-CD1 3.78Å; I88-L107 HydrophobicContact CG1-CD1 3.7Å; I88-L107 HydrophobicContact CG1-CD2 4.2Å; I88-L119 HydrophobicContact CD1-CD2 4.07Å; I88-L119 HydrophobicContact CG2-CD2 4.25Å; I88-I128 HydrophobicContact CG2-CD1 4.4Å; I88-I128 HydrophobicContact CG2-CG2 4.41Å
89I91.4Very high91.1Very high1 Ų139.5 Ų39.51%0.00521%0.209CC..Hα-helixtrans-56.3-46.8175.5-64167.2000110.4H85 L86 L91 A92 S93 I127 I128 V145 R147H85-I89 WeakPolarHBondContact O-CG1 3.31Å; H85-I89 PolarHBondContact O-N 2.78Å; L86-I89 HydrophobicContact CD2-CD1 4.25Å; L86-I89 PolarHBondContact O-N 3.07Å; I89-L91 VanDerWaalsContact C-N 3.3Å; I89-L91 PolarHBondContact O-N 3.27Å; I89-A92 WeakPolarHBondContact O-CB 3.49Å; I89-A92 PolarHBondContact O-N 3.14Å; I89-A92 VanDerWaalsContact O-N 3.14Å; I89-S93 PolarHBondContact O-N 3.38Å; I89-S93 PolarHBondContact O-OG 3.23Å; I89-I127 HydrophobicContact CD1-CG2 3.25Å; I89-I127 HydrophobicContact CG1-CG2 3.52Å; I89-I128 HydrophobicContact CG1-CG2 4.49Å; I89-V145 WeakPolarHBondContact CG2-O 3.08Å; I89-R147 HydrophobicContact CG2-CB 4.17Å
90S89.9Confident91.3Very high17 Ų1739.3 Ų39.312%0.11921%0.208CC..Hα-helixtrans-62.2-38-179.7-540000112.5L86 S87 I88 N94 R147L86-S90 PolarHBondContact O-N 3.47Å; L86-S90 PolarHBondContact O-OG 3.41Å; S87-S90 WeakPolarHBondContact O-CB 3.19Å; S87-S90 PolarHBondContact O-N 3.1Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.32Å; S90-N94 PolarHBondContact O-ND2 2.9Å; S90-R147 PolarHBondContact OG-NE 2.71Å; S90-R147 PolarHBondContact OG-NH1 3.28Å; S90-R147 PolarHBondContact OG-NH2 3.12Å
91L90.9Very high91.4Very high33 Ų3338.9 Ų38.917%0.17322%0.22CC..Hα-helixtrans-69.8-41174.2-68.8171.7000111.4S87 I88 I89 S93 N94 L95 L98 L102 L103 Q106S87-L91 WeakPolarHBondContact O-CG 3.18Å; S87-L91 PolarHBondContact O-N 2.97Å; I88-L91 PolarHBondContact O-N 2.9Å; I89-L91 VanDerWaalsContact C-N 3.3Å; I89-L91 PolarHBondContact O-N 3.27Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.07Å; L91-N94 PolarHBondContact O-N 3.02Å; L91-N94 VanDerWaalsContact O-N 3.07Å; L91-L95 PolarHBondContact O-N 3.44Å; L91-L98 HydrophobicContact CB-CD1 4.21Å; L91-L98 HydrophobicContact CB-CD2 3.74Å; L91-L102 HydrophobicContact CD2-CD2 4.47Å; L91-L103 HydrophobicContact CD1-CD2 3.82Å; L91-Q106 HydrophobicContact CD1-CB 4.14Å; L91-Q106 HydrophobicContact CD1-CG 4.24Å
92A90.8Very high91.5Very high11 Ų1138.8 Ų38.89%0.09122%0.219CC..Hα-helixtrans-63.9-31.2178.500000113I88 I89 N94 L98 V141I88-A92 WeakPolarHBondContact O-CB 2.98Å; I88-A92 PolarHBondContact O-N 2.84Å; I89-A92 WeakPolarHBondContact O-CB 3.49Å; I89-A92 PolarHBondContact O-N 3.14Å; I89-A92 VanDerWaalsContact O-N 3.14Å; A92-N94 PolarHBondContact O-N 3.49Å; A92-L98 HydrophobicContact CB-CD1 4.16Å; A92-V141 HydrophobicContact CB-CB 4.22Å; A92-V141 HydrophobicContact CB-CG1 3.9Å; A92-V141 HydrophobicContact CB-CG2 4.16Å
93S87.1Confident91.5Very high84 Ų8438.3 Ų38.359%0.58722%0.217SC*.THydrogen-bonded Turntrans-61.3-27.4172.9-62.90000113.1I89 L91I89-S93 PolarHBondContact O-N 3.38Å; I89-S93 PolarHBondContact O-OG 3.23Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.07Å
94N85.9Confident91.5Very high138 Ų13840.3 Ų40.374%0.73823%0.227SC*.THydrogen-bonded Turntrans-99.5-34-177.8-68.6-72.5000112.8S90 L91 A92S90-N94 PolarHBondContact O-ND2 2.9Å; L91-N94 PolarHBondContact O-N 3.02Å; L91-N94 VanDerWaalsContact O-N 3.07Å; A92-N94 PolarHBondContact O-N 3.49Å
95L89.3Confident91.5Very high82 Ų8245.8 Ų45.843%0.42925%0.254SS..  trans-133.2121.7-173.1-65.3173.8000110.7L91 L98 L102L91-L95 PolarHBondContact O-N 3.44Å; L95-L98 HydrophobicContact CB-CD2 3.72Å; L95-L98 HydrophobicContact CD1-CD2 4.21Å; L95-L102 HydrophobicContact CD1-CD2 3.98Å
96K89.4Confident91.4Very high163 Ų16348.4 Ų48.471%0.70927%0.266SS*.SBendtrans-69.2-34.3175-68.3-164.3175.2-170.50113.4V141K96-V141 PolarHBondContact O-N 3.16Å
97C92.6Very high91.3Very high60 Ų6048.4 Ų48.441%0.40527%0.266SS..EExtended strand (participates in β ladder)trans-111.6110.7177.3-57.50000108P99 V139C97-P99 WeakPolarHBondContact O-CD 3.5Å; C97-V139 WeakPolarHBondContact CA-O 3.5Å
98L93.6Very high91.1Very high0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-99.2114.5-178.9-65.8170.7000110I88 L91 A92 L95 L102 L103 Q138 V139 V141I88-L98 HydrophobicContact CG2-CD1 4.48Å; L91-L98 HydrophobicContact CB-CD1 4.21Å; L91-L98 HydrophobicContact CB-CD2 3.74Å; A92-L98 HydrophobicContact CB-CD1 4.16Å; L95-L98 HydrophobicContact CB-CD2 3.72Å; L95-L98 HydrophobicContact CD1-CD2 4.21Å; L98-L102 HydrophobicContact CD2-CD2 4.45Å; L98-L103 HydrophobicContact CB-CD1 4.06Å; L98-L103 HydrophobicContact CB-CG 4.3Å; L98-L103 HydrophobicContact CD1-CD2 4.33Å; L98-Q138 CarbonylContact O-C 3.39Å; L98-Q138 VanDerWaalsContact O-CA 3.28Å; L98-Q138 WeakPolarHBondContact O-CA 3.37Å; L98-V139 HydrophobicContact CB-CG1 3.66Å; L98-V139 HydrophobicContact CD1-CG1 4.3Å; L98-V139 HydrophobicContact CG-CG1 4.5Å; L98-V139 PolarHBondContact N-O 3.44Å; L98-V139 PolarHBondContact O-N 2.93Å; L98-V141 HydrophobicContact CD1-CG2 4.04Å
99P94.7Very high91Very high49 Ų4953.4 Ų53.432%0.31829%0.29SS..EExtended strand (participates in β ladder)trans-66.9144175.1-19.232.5000111.5C97 S101 L102 L103C97-P99 WeakPolarHBondContact O-CD 3.5Å; P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 2.84Å; P99-L102 HydrophobicContact CB-CB 4.48Å; P99-L102 WeakPolarHBondContact O-CB 3.34Å; P99-L102 PolarHBondContact O-N 3.34Å; P99-L103 PolarHBondContact O-N 3.29Å
100Y94.4Very high90.8Very high4 Ų462.2 Ų62.22%0.01633%0.328CS..Hα-helixtrans-63.3-34.9178.5-76.112.7000111.9L102 L103 L104 V112 L115 L119 Q137 V139Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.91Å; Y100-L103 PolarHBondContact O-N 3.14Å; Y100-L104 WeakPolarHBondContact O-CB 3.49Å; Y100-L104 WeakPolarHBondContact O-CG 3.39Å; Y100-L104 PolarHBondContact O-N 2.9Å; Y100-V112 HydrophobicContact CD2-CG1 3.74Å; Y100-V112 HydrophobicContact CE2-CG1 3.72Å; Y100-L115 HydrophobicContact CD1-CD2 4.11Å; Y100-L115 HydrophobicContact CD2-CD2 4.27Å; Y100-L115 HydrophobicContact CG-CD2 3.9Å; Y100-L119 HydrophobicContact CE1-CD1 4.44Å; Y100-Q137 WeakPolarHBondContact CB-O 3.34Å; Y100-Q137 WeakPolarHBondContact CD1-O 3.45Å; Y100-Q137 HydrophobicContact CD2-CB 4.3Å; Y100-Q137 HydrophobicContact CG-CB 4.32Å; Y100-Q137 PolarHBondContact N-O 3.49Å; Y100-V139 HydrophobicContact CE1-CB 4.31Å
101S92.9Very high90.8Very high85 Ų8565.5 Ų65.559%0.59434%0.344SS*.Hα-helixtrans-57.8-43.5175.6520000112.5P99 Q105P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 2.84Å; S101-Q105 WeakPolarHBondContact O-CB 3.47Å; S101-Q105 PolarHBondContact O-N 3.24Å; S101-Q105 VanDerWaalsContact O-N 3.08Å
102L93Very high90.8Very high43 Ų4366.3 Ų66.323%0.22535%0.35CS..Hα-helixtrans-64.4-46.1176.6179.764.4000110.8L91 L95 L98 P99 Y100 Q105 Q106L91-L102 HydrophobicContact CD2-CD2 4.47Å; L95-L102 HydrophobicContact CD1-CD2 3.98Å; L98-L102 HydrophobicContact CD2-CD2 4.45Å; P99-L102 HydrophobicContact CB-CB 4.48Å; P99-L102 WeakPolarHBondContact O-CB 3.34Å; P99-L102 PolarHBondContact O-N 3.34Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.91Å; L102-Q105 PolarHBondContact O-N 3.1Å; L102-Q106 HydrophobicContact CD1-CG 3.9Å; L102-Q106 HydrophobicContact CG-CG 4.32Å; L102-Q106 WeakPolarHBondContact O-CB 3.39Å; L102-Q106 VanDerWaalsContact O-CG 3.24Å; L102-Q106 WeakPolarHBondContact O-CG 3.41Å; L102-Q106 PolarHBondContact O-N 3.44Å
103L92.3Very high90.9Very high0 Ų072.8 Ų72.80%037%0.372CS..Hα-helixtrans-65.3-43.6179.6-68.8173.8000112.4I88 L91 L98 P99 Y100 Q105 Q106 L107 L115 L119 V139I88-L103 HydrophobicContact CG1-CD2 4.16Å; L91-L103 HydrophobicContact CD1-CD2 3.82Å; L98-L103 HydrophobicContact CB-CD1 4.06Å; L98-L103 HydrophobicContact CB-CG 4.3Å; L98-L103 HydrophobicContact CD1-CD2 4.33Å; P99-L103 PolarHBondContact O-N 3.29Å; Y100-L103 PolarHBondContact O-N 3.14Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.32Å; L103-Q106 PolarHBondContact O-N 2.88Å; L103-L107 HydrophobicContact CB-CD1 4.32Å; L103-L107 HydrophobicContact CD2-CD1 4.29Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 3.49Å; L103-L115 HydrophobicContact CB-CD1 3.74Å; L103-L115 HydrophobicContact CB-CD2 3.85Å; L103-L115 HydrophobicContact CB-CG 4.48Å; L103-L115 HydrophobicContact CD1-CD1 4.12Å; L103-L115 HydrophobicContact CD1-CD2 4.29Å; L103-L115 HydrophobicContact CG-CD1 4.49Å; L103-L119 HydrophobicContact CD1-CD1 4.39Å; L103-V139 HydrophobicContact CD1-CG1 3.74Å
104L93Very high91.2Very high41 Ų4172.6 Ų72.622%0.21536%0.362CS..Hα-helixtrans-60.1-41176.5-70.8171.9000111.3Y100 E108 L109 V112 L115Y100-L104 WeakPolarHBondContact O-CB 3.49Å; Y100-L104 WeakPolarHBondContact O-CG 3.39Å; Y100-L104 PolarHBondContact O-N 2.9Å; L104-E108 VanDerWaalsContact O-CA 3.31Å; L104-E108 WeakPolarHBondContact O-CA 3.45Å; L104-E108 PolarHBondContact O-N 3.49Å; L104-E108 VanDerWaalsContact O-N 3.1Å; L104-L109 HydrophobicContact CD2-CB 3.75Å; L104-L109 PolarHBondContact O-N 2.87Å; L104-V112 HydrophobicContact CD1-CG2 4.29Å; L104-L115 HydrophobicContact CD2-CB 4.07Å; L104-L115 HydrophobicContact CD2-CD2 4.11Å; L104-L115 HydrophobicContact CG-CD2 4.1Å
105Q91.9Very high91.5Very high145 Ų14566 Ų6668%0.67833%0.327SS*.Hα-helixtrans-68.7-49.1177.5-176.5-180-19.900112.1S101 L102 L103S101-Q105 WeakPolarHBondContact O-CB 3.47Å; S101-Q105 PolarHBondContact O-N 3.24Å; S101-Q105 VanDerWaalsContact O-N 3.08Å; L102-Q105 PolarHBondContact O-N 3.1Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.32Å
106Q89.9Confident91.7Very high55 Ų5563.5 Ų63.526%0.25731%0.313SS..Hα-helixtrans-73.1-29.2-174.9-67.9-68.2-3100113.2C63 L91 L102 L103C63-Q106 PolarHBondContact SG-O 2.92Å; C63-Q106 PolarHBondContact SG-OE1 3.34Å; L91-Q106 HydrophobicContact CD1-CB 4.14Å; L91-Q106 HydrophobicContact CD1-CG 4.24Å; L102-Q106 HydrophobicContact CD1-CG 3.9Å; L102-Q106 HydrophobicContact CG-CG 4.32Å; L102-Q106 WeakPolarHBondContact O-CB 3.39Å; L102-Q106 VanDerWaalsContact O-CG 3.24Å; L102-Q106 WeakPolarHBondContact O-CG 3.41Å; L102-Q106 PolarHBondContact O-N 3.44Å; L103-Q106 PolarHBondContact O-N 2.88Å
107L90.1Very high91.9Very high0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-98.4-3.5-179.4-53175.7000112.9Y62 R84 I88 L103 L109 L115Y62-L107 VanDerWaalsContact CE1-O 3.31Å; Y62-L107 WeakPolarHBondContact CE1-O 3.42Å; R84-L107 HydrophobicContact CB-CD2 3.93Å; R84-L107 HydrophobicContact CG-CB 4.3Å; R84-L107 HydrophobicContact CG-CD2 4.07Å; R84-L107 PolarHBondContact NE-O 3.14Å; R84-L107 VanDerWaalsContact NE-O 3.11Å; R84-L107 PolarHBondContact NH2-O 2.97Å; R84-L107 VanDerWaalsContact NH2-O 3.17Å; I88-L107 HydrophobicContact CD1-CD1 3.78Å; I88-L107 HydrophobicContact CG1-CD1 3.7Å; I88-L107 HydrophobicContact CG1-CD2 4.2Å; L103-L107 HydrophobicContact CB-CD1 4.32Å; L103-L107 HydrophobicContact CD2-CD1 4.29Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 3.49Å; L107-L109 HydrophobicContact CB-CD1 3.81Å; L107-L109 HydrophobicContact CB-CG 3.86Å; L107-L109 HydrophobicContact CD1-CD1 4Å; L107-L109 PolarHBondContact O-N 3.32Å; L107-L115 HydrophobicContact CD1-CD1 3.92Å
108E88.7Confident91.9Very high97 Ų9756.8 Ų56.845%0.45328%0.281SS..THydrogen-bonded Turntrans48.655.3-175.2-158.6-171.7-166.800112.1Y62 K66 L104Y62-E108 HydrophobicContact CE1-CB 3.91Å; K66-E108 WeakPolarHBondContact CD-OE2 3.32Å; K66-E108 WeakPolarHBondContact CE-OE2 3.45Å; K66-E108 IonicContact NZ-OE1 2.71Å; K66-E108 PolarHBondContact NZ-OE1 3.34Å; K66-E108 IonicContact NZ-OE2 2.65Å; K66-E108 PolarHBondContact NZ-OE2 3.31Å; L104-E108 VanDerWaalsContact O-CA 3.31Å; L104-E108 WeakPolarHBondContact O-CA 3.45Å; L104-E108 PolarHBondContact O-N 3.49Å; L104-E108 VanDerWaalsContact O-N 3.1Å
109L88.6Confident91.8Very high13 Ų1356.8 Ų56.87%0.06828%0.281CS..  trans-100.1139178.8-65.5171000109.6R84 L104 L107 E114 L115 L118R84-L109 VanDerWaalsContact CZ-CD2 3.49Å; L104-L109 HydrophobicContact CD2-CB 3.75Å; L104-L109 PolarHBondContact O-N 2.87Å; L107-L109 HydrophobicContact CB-CD1 3.81Å; L107-L109 HydrophobicContact CB-CG 3.86Å; L107-L109 HydrophobicContact CD1-CD1 4Å; L107-L109 PolarHBondContact O-N 3.32Å; L109-E114 HydrophobicContact CD2-CB 4.35Å; L109-L115 HydrophobicContact CD1-CB 3.81Å; L109-L115 HydrophobicContact CD1-CD1 3.78Å; L109-L115 HydrophobicContact CD1-CG 4.41Å; L109-L118 HydrophobicContact CD1-CD1 3.68Å; L109-L118 HydrophobicContact CD2-CD1 3.77Å; L109-L118 HydrophobicContact CG-CD1 4.35Å
110K87.2Confident91.7Very high187 Ų18757.5 Ų57.581%0.81328%0.282SS*.SBendtrans-82.3-32.2-176.5-64.2-179.4-178.1177.20112
111N90.9Very high91.6Very high85 Ų8561.3 Ų61.346%0.45530%0.299SS..  trans-131.4145.4-167.8-59.9-44.5000111.1R113 E114 L115N111-R113 PolarHBondContact O-N 2.92Å; N111-E114 HydrophobicContact CB-CG 4.4Å; N111-E114 PolarHBondContact ND2-OE1 3.46Å; N111-E114 PolarHBondContact O-N 3.48Å; N111-L115 PolarHBondContact O-N 3.2Å
112V91.4Very high91.5Very high51 Ų5157.3 Ų57.331%0.30927%0.271SS..Hα-helixtrans-59.9-34171.91780000111.1Y100 L104 E114 L115 E116Y100-V112 HydrophobicContact CD2-CG1 3.74Å; Y100-V112 HydrophobicContact CE2-CG1 3.72Å; L104-V112 HydrophobicContact CD1-CG2 4.29Å; V112-E114 PolarHBondContact O-N 2.92Å; V112-L115 WeakPolarHBondContact O-CB 3.43Å; V112-L115 PolarHBondContact O-N 3.44Å; V112-E116 HydrophobicContact CG1-CG 4.19Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.36Å; V112-E116 WeakPolarHBondContact O-CG 3.49Å; V112-E116 PolarHBondContact O-N 2.83Å
113R92.5Very high91.4Very high146 Ų14657.6 Ų57.655%0.55128%0.275SS*.Hα-helixtrans-61.2-45.2179.3-175.765.7-156.7173.9-1113N111 L115 E116 D117N111-R113 PolarHBondContact O-N 2.92Å; R113-L115 VanDerWaalsContact C-N 3.27Å; R113-L115 PolarHBondContact O-N 2.81Å; R113-E116 IonicContact NH1-OE2 3.9Å; R113-E116 PolarHBondContact O-N 3.09Å; R113-D117 IonicContact CZ-OD1 3.27Å; R113-D117 IonicContact CZ-OD2 3.53Å; R113-D117 IonicContact NE-OD1 3.22Å; R113-D117 PolarHBondContact NE-OD1 3.17Å; R113-D117 IonicContact NE-OD2 2.71Å; R113-D117 PolarHBondContact NE-OD2 3.11Å; R113-D117 IonicContact NH2-OD1 3.21Å; R113-D117 PolarHBondContact NH2-OD1 3.16Å; R113-D117 IonicContact NH2-OD2 3.94Å; R113-D117 WeakPolarHBondContact O-CB 3.31Å; R113-D117 VanDerWaalsContact O-CG 3.32Å; R113-D117 PolarHBondContact O-N 3.23Å
114E92.4Very high91.3Very high81 Ų8166.8 Ų66.838%0.37931%0.311SS..Hα-helixtrans-65.2-35.2177.4-69.1169-148.500111.4L109 N111 V112 L118L109-E114 HydrophobicContact CD2-CB 4.35Å; N111-E114 HydrophobicContact CB-CG 4.4Å; N111-E114 PolarHBondContact ND2-OE1 3.46Å; N111-E114 PolarHBondContact O-N 3.48Å; V112-E114 PolarHBondContact O-N 2.92Å; E114-L118 WeakPolarHBondContact O-CG 3.37Å; E114-L118 PolarHBondContact O-N 2.94Å; E114-L118 VanDerWaalsContact O-N 3.1Å
115L93.1Very high91Very high0 Ų067.4 Ų67.40%032%0.318CS..Hα-helixtrans-65.7-47.4173.9174.563.7000111.7Y100 L103 L104 L107 L109 N111 V112 R113 L118 L119Y100-L115 HydrophobicContact CD1-CD2 4.11Å; Y100-L115 HydrophobicContact CD2-CD2 4.27Å; Y100-L115 HydrophobicContact CG-CD2 3.9Å; L103-L115 HydrophobicContact CB-CD1 3.74Å; L103-L115 HydrophobicContact CB-CD2 3.85Å; L103-L115 HydrophobicContact CB-CG 4.48Å; L103-L115 HydrophobicContact CD1-CD1 4.12Å; L103-L115 HydrophobicContact CD1-CD2 4.29Å; L103-L115 HydrophobicContact CG-CD1 4.49Å; L104-L115 HydrophobicContact CD2-CB 4.07Å; L104-L115 HydrophobicContact CD2-CD2 4.11Å; L104-L115 HydrophobicContact CG-CD2 4.1Å; L107-L115 HydrophobicContact CD1-CD1 3.92Å; L109-L115 HydrophobicContact CD1-CB 3.81Å; L109-L115 HydrophobicContact CD1-CD1 3.78Å; L109-L115 HydrophobicContact CD1-CG 4.41Å; N111-L115 PolarHBondContact O-N 3.2Å; V112-L115 WeakPolarHBondContact O-CB 3.43Å; V112-L115 PolarHBondContact O-N 3.44Å; R113-L115 VanDerWaalsContact C-N 3.27Å; R113-L115 PolarHBondContact O-N 2.81Å; L115-L118 PolarHBondContact O-N 2.82Å; L115-L119 HydrophobicContact CD1-CD1 4.12Å; L115-L119 HydrophobicContact CD1-CG 4.18Å; L115-L119 HydrophobicContact CG-CD1 4Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.39Å
116E93.4Very high90.9Very high29 Ų2966 Ų6614%0.13632%0.316CS..Hα-helixtrans-60.5-44.7177-73.1174.1-166.800111.4V112 R113 L118 L119 I120 L132 Q134V112-E116 HydrophobicContact CG1-CG 4.19Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.36Å; V112-E116 WeakPolarHBondContact O-CG 3.49Å; V112-E116 PolarHBondContact O-N 2.83Å; R113-E116 IonicContact NH1-OE2 3.9Å; R113-E116 PolarHBondContact O-N 3.09Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.08Å; E116-L119 PolarHBondContact O-N 2.65Å; E116-I120 WeakPolarHBondContact O-CB 3.34Å; E116-I120 WeakPolarHBondContact O-CD1 2.97Å; E116-I120 WeakPolarHBondContact O-CG1 3.34Å; E116-I120 PolarHBondContact O-N 3.48Å; E116-L132 HydrophobicContact CB-CD2 4.32Å; E116-L132 HydrophobicContact CG-CD2 4.11Å; E116-Q134 PolarHBondContact OE1-NE2 3.27Å; E116-Q134 PolarHBondContact OE1-OE1 3.24Å
117D93.4Very high90.8Very high71 Ų7163.6 Ų63.638%0.3830%0.304SS..Hα-helixtrans-62.5-39179.1-70.4-32.1000111.2R113 I120 E121R113-D117 IonicContact CZ-OD1 3.27Å; R113-D117 IonicContact CZ-OD2 3.53Å; R113-D117 IonicContact NE-OD1 3.22Å; R113-D117 PolarHBondContact NE-OD1 3.17Å; R113-D117 IonicContact NE-OD2 2.71Å; R113-D117 PolarHBondContact NE-OD2 3.11Å; R113-D117 IonicContact NH2-OD1 3.21Å; R113-D117 PolarHBondContact NH2-OD1 3.16Å; R113-D117 IonicContact NH2-OD2 3.94Å; R113-D117 WeakPolarHBondContact O-CB 3.31Å; R113-D117 VanDerWaalsContact O-CG 3.32Å; R113-D117 PolarHBondContact O-N 3.23Å; D117-I120 PolarHBondContact O-N 3.46Å; D117-E121 WeakPolarHBondContact O-CB 3.41Å; D117-E121 PolarHBondContact O-N 3.15Å
118L92.3Very high90.9Very high10 Ų1063.9 Ų63.95%0.05231%0.305CS..Hα-helixtrans-67.3-41.4173-77169.4000113.1N81 H85 L109 E114 L115 E116 I120 E121 A122N81-L118 HydrophobicContact CB-CD2 3.96Å; H85-L118 PolarHBondContact NE2-O 2.76Å; L109-L118 HydrophobicContact CD1-CD1 3.68Å; L109-L118 HydrophobicContact CD2-CD1 3.77Å; L109-L118 HydrophobicContact CG-CD1 4.35Å; E114-L118 WeakPolarHBondContact O-CG 3.37Å; E114-L118 PolarHBondContact O-N 2.94Å; E114-L118 VanDerWaalsContact O-N 3.1Å; L115-L118 PolarHBondContact O-N 2.82Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.08Å; L118-I120 VanDerWaalsContact C-N 3.32Å; L118-E121 PolarHBondContact O-N 3.44Å; L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-A122 PolarHBondContact O-N 2.96Å
119L92.4Very high91Very high0 Ų064.2 Ų64.20%031%0.307CS..Hα-helixtrans-64.7-40.5176.4-72.8171000110.9I88 Y100 L103 L115 E116 A122 V123 I128 L132 V139I88-L119 HydrophobicContact CD1-CD2 4.07Å; I88-L119 HydrophobicContact CG2-CD2 4.25Å; Y100-L119 HydrophobicContact CE1-CD1 4.44Å; L103-L119 HydrophobicContact CD1-CD1 4.39Å; L115-L119 HydrophobicContact CD1-CD1 4.12Å; L115-L119 HydrophobicContact CD1-CG 4.18Å; L115-L119 HydrophobicContact CG-CD1 4Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.39Å; E116-L119 PolarHBondContact O-N 2.65Å; L119-A122 PolarHBondContact O-N 3Å; L119-V123 WeakPolarHBondContact O-CG2 3.43Å; L119-V123 PolarHBondContact O-N 3.28Å; L119-I128 HydrophobicContact CD2-CD1 3.9Å; L119-L132 HydrophobicContact CB-CD2 4.19Å; L119-L132 HydrophobicContact CD1-CD2 4.18Å; L119-L132 HydrophobicContact CD1-CG 4.39Å; L119-V139 HydrophobicContact CD1-CB 4.26Å; L119-V139 HydrophobicContact CD1-CG1 4.3Å; L119-V139 HydrophobicContact CD2-CG1 4.34Å
120I92.9Very high91.1Very high65 Ų6564.7 Ų64.733%0.33332%0.315SS..Hα-helixtrans-62.1-48.2174.3-68.9163.5000109.4E116 D117 L118 A122 V123 Y124E116-I120 WeakPolarHBondContact O-CB 3.34Å; E116-I120 WeakPolarHBondContact O-CD1 2.97Å; E116-I120 WeakPolarHBondContact O-CG1 3.34Å; E116-I120 PolarHBondContact O-N 3.48Å; D117-I120 PolarHBondContact O-N 3.46Å; L118-I120 VanDerWaalsContact C-N 3.32Å; I120-A122 VanDerWaalsContact C-N 3.27Å; I120-A122 PolarHBondContact O-N 3.37Å; I120-V123 PolarHBondContact O-N 3.05Å; I120-V123 VanDerWaalsContact O-N 3.14Å; I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.55Å; I120-Y124 VanDerWaalsContact O-CD2 3.22Å; I120-Y124 WeakPolarHBondContact O-CD2 3.39Å; I120-Y124 PolarHBondContact O-N 2.78Å
121E91.4Very high91.4Very high83 Ų8362.6 Ų62.639%0.38831%0.306SS..Hα-helixtrans-56.4-42.7176.4-170.3-178.7167.400111.8H85 D117 L118 V123 Y124 C125H85-E121 IonicContact CE1-OE1 3.87Å; D117-E121 WeakPolarHBondContact O-CB 3.41Å; D117-E121 PolarHBondContact O-N 3.15Å; L118-E121 PolarHBondContact O-N 3.44Å; E121-V123 PolarHBondContact O-N 3.19Å; E121-Y124 PolarHBondContact O-N 2.93Å; E121-C125 WeakPolarHBondContact O-CB 3.22Å; E121-C125 PolarHBondContact O-N 3.2Å; E121-C125 PolarHBondContact O-SG 2.93Å
122A90.6Very high91.5Very high1 Ų161.7 Ų61.71%0.00830%0.301CS..Hα-helixtrans-65.5-37.2177.900000113.1L118 L119 I120 I127 I128L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-A122 PolarHBondContact O-N 2.96Å; L119-A122 PolarHBondContact O-N 3Å; I120-A122 VanDerWaalsContact C-N 3.27Å; I120-A122 PolarHBondContact O-N 3.37Å; A122-I127 HydrophobicContact CB-CB 4.47Å; A122-I127 HydrophobicContact CB-CD1 4.24Å; A122-I127 WeakPolarHBondContact O-CB 3.47Å; A122-I127 PolarHBondContact O-N 3.06Å; A122-I128 HydrophobicContact CB-CD1 3.81Å; A122-I128 HydrophobicContact CB-CG1 3.82Å; A122-I128 PolarHBondContact O-N 3.39Å
123V91.4Very high91.5Very high49 Ų4961 Ų6130%0.29730%0.295SS..Hα-helixtrans-67.2-43172.7173.10000111L119 I120 E121 C125 D126 I128L119-V123 WeakPolarHBondContact O-CG2 3.43Å; L119-V123 PolarHBondContact O-N 3.28Å; I120-V123 PolarHBondContact O-N 3.05Å; I120-V123 VanDerWaalsContact O-N 3.14Å; E121-V123 PolarHBondContact O-N 3.19Å; V123-C125 PolarHBondContact O-N 3.46Å; V123-D126 PolarHBondContact O-N 2.95Å; V123-I128 WeakPolarHBondContact CA-O 3.36Å; V123-I128 HydrophobicContact CG2-CD1 4.12Å; V123-I128 HydrophobicContact CG2-CG1 3.74Å
124Y90.3Very high91.4Very high193 Ų19358.9 Ų58.976%0.75729%0.292SS*.Hα-helixtrans-65.1-27.7178.7-91.7-105.6000113.2I120 E121 D126I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.55Å; I120-Y124 VanDerWaalsContact O-CD2 3.22Å; I120-Y124 WeakPolarHBondContact O-CD2 3.39Å; I120-Y124 PolarHBondContact O-N 2.78Å; E121-Y124 PolarHBondContact O-N 2.93Å; Y124-D126 VanDerWaalsContact C-N 3.27Å
125C87.2Confident91.4Very high54 Ų5465 Ų6537%0.36531%0.311SS..THydrogen-bonded Turntrans-87.18.6174.6-64.30000113.3E121 V123 I127E121-C125 WeakPolarHBondContact O-CB 3.22Å; E121-C125 PolarHBondContact O-N 3.2Å; E121-C125 PolarHBondContact O-SG 2.93Å; V123-C125 PolarHBondContact O-N 3.46Å; C125-I127 HydrophobicContact CB-CD1 3.71Å; C125-I127 HydrophobicContact CB-CG1 3.68Å; C125-I127 PolarHBondContact O-N 3.41Å; C125-I127 VanDerWaalsContact O-N 3.14Å
126D88.4Confident91.4Very high117 Ų11768.9 Ų68.963%0.62633%0.332SS*.THydrogen-bonded Turntrans55.226.3-176.4-67.3-48.9000114.2V123 Y124 V145V123-D126 PolarHBondContact O-N 2.95Å; Y124-D126 VanDerWaalsContact C-N 3.27Å; D126-V145 VanDerWaalsContact O-CG2 3.27Å; D126-V145 WeakPolarHBondContact O-CG2 3.49Å
127I88.9Confident91.4Very high4 Ų473.6 Ų73.62%0.02135%0.354CS..SBendtrans-79.5-42.8180-54.8168.2000110.3Y28 H85 I89 A122 C125 S144 V145Y28-I127 HydrophobicContact CD2-CD1 4.45Å; Y28-I127 HydrophobicContact CD2-CG1 4.27Å; Y28-I127 HydrophobicContact CE1-CD1 3.75Å; Y28-I127 HydrophobicContact CE1-CG1 4.49Å; Y28-I127 HydrophobicContact CE2-CD1 3.59Å; Y28-I127 HydrophobicContact CE2-CG1 3.71Å; Y28-I127 WeakPolarHBondContact OH-CD1 3.48Å; H85-I127 HydrophobicContact CB-CD1 4.09Å; I89-I127 HydrophobicContact CD1-CG2 3.25Å; I89-I127 HydrophobicContact CG1-CG2 3.52Å; A122-I127 HydrophobicContact CB-CB 4.47Å; A122-I127 HydrophobicContact CB-CD1 4.24Å; A122-I127 WeakPolarHBondContact O-CB 3.47Å; A122-I127 PolarHBondContact O-N 3.06Å; C125-I127 HydrophobicContact CB-CD1 3.71Å; C125-I127 HydrophobicContact CB-CG1 3.68Å; C125-I127 PolarHBondContact O-N 3.41Å; C125-I127 VanDerWaalsContact O-N 3.14Å; I127-S144 WeakPolarHBondContact O-CA 3.49Å; I127-V145 WeakPolarHBondContact O-CG2 3.36Å; I127-V145 PolarHBondContact O-N 2.92Å
128I91Very high91.4Very high5 Ų572.3 Ų72.33%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-126.6139.217864.5176000108.6I88 I89 L119 A122 V123I88-I128 HydrophobicContact CG2-CD1 4.4Å; I88-I128 HydrophobicContact CG2-CG2 4.41Å; I89-I128 HydrophobicContact CG1-CG2 4.49Å; L119-I128 HydrophobicContact CD2-CD1 3.9Å; A122-I128 HydrophobicContact CB-CD1 3.81Å; A122-I128 HydrophobicContact CB-CG1 3.82Å; A122-I128 PolarHBondContact O-N 3.39Å; V123-I128 WeakPolarHBondContact CA-O 3.36Å; V123-I128 HydrophobicContact CG2-CD1 4.12Å; V123-I128 HydrophobicContact CG2-CG1 3.74Å
129Q91.4Very high91.4Very high105 Ų10572 Ų7249%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-112.4128.3166.9-59.7-176.4-5.800107.5D142 C143Q129-D142 PolarHBondContact O-N 3.33Å; Q129-C143 VanDerWaalsContact CB-SG 3.54Å; Q129-C143 VanDerWaalsContact CG-SG 3.54Å; Q129-C143 PolarHBondContact N-O 3.08Å; Q129-C143 PolarHBondContact O-N 3.26Å; Q129-C143 PolarHBondContact OE1-SG 3.24Å
130G91Very high91.5Very high22 Ų2275.7 Ų75.723%0.22736%0.361CS..EExtended strand (participates in β ladder)trans175.4-176.9-174.400000113E140G130-E140 CarbonylContact C-O 3.54Å; G130-E140 WeakPolarHBondContact CA-O 3.42Å
131K92.1Very high91.5Very high144 Ų14473.1 Ų73.163%0.62635%0.349SS*.EExtended strand (participates in β ladder)trans-128.7137.6-179-66.4176.5-174.2164.80110.5E140K131-E140 PolarHBondContact N-O 3.44Å; K131-E140 PolarHBondContact O-N 2.95Å
132L93.4Very high91.5Very high66 Ų6674.8 Ų74.835%0.34636%0.36SS..EExtended strand (participates in β ladder)trans-86.1120.1173.8-72.275.1000108.5E116 L119 V139E116-L132 HydrophobicContact CB-CD2 4.32Å; E116-L132 HydrophobicContact CG-CD2 4.11Å; L119-L132 HydrophobicContact CB-CD2 4.19Å; L119-L132 HydrophobicContact CD1-CD2 4.18Å; L119-L132 HydrophobicContact CD1-CG 4.39Å; L132-V139 HydrophobicContact CD1-CG2 4.39Å; L132-V139 HydrophobicContact CG-CG2 4.34Å
133D92.5Very high91.3Very high37 Ų3777.5 Ų77.520%0.19838%0.379CS..EExtended strand (participates in β ladder)trans-104.491.8173-175.7-9.5000109.8R135 N136 Q137 Q138D133-R135 PolarHBondContact O-N 3.05Å; D133-R135 WeakPolarHBondContact OD1-CB 3.47Å; D133-R135 PolarHBondContact OD1-N 3.37Å; D133-N136 PolarHBondContact O-N 3.01Å; D133-N136 PolarHBondContact OD1-N 2.96Å; D133-N136 VanDerWaalsContact OD1-N 3.1Å; D133-N136 WeakPolarHBondContact OD2-CB 3.37Å; D133-N136 PolarHBondContact OD2-ND2 2.79Å; D133-Q137 PolarHBondContact O-N 3.35Å; D133-Q138 CarbonylContact C-O 3.55Å; D133-Q138 WeakPolarHBondContact CA-O 3.43Å; D133-Q138 HydrophobicContact CB-CG 4.02Å; D133-Q138 PolarHBondContact N-O 3.43Å; D133-Q138 PolarHBondContact O-N 2.69Å; D133-Q138 VanDerWaalsContact O-N 3.08Å
134Q90.8Very high91.1Very high101 Ų10177 Ų7747%0.47238%0.378SS..THydrogen-bonded Turntrans-66.2-27.1179.6-169.466.3-15.100113.2E116 Q137E116-Q134 PolarHBondContact OE1-NE2 3.27Å; E116-Q134 PolarHBondContact OE1-OE1 3.24Å; Q134-Q137 PolarHBondContact O-N 3.06Å
135R92.3Very high91Very high209 Ų20970.8 Ų70.879%0.78936%0.359SS*.THydrogen-bonded Turntrans-70.1-43.3-178.4-175-176.571172.6-0.2110.5D133D133-R135 PolarHBondContact O-N 3.05Å; D133-R135 WeakPolarHBondContact OD1-CB 3.47Å; D133-R135 PolarHBondContact OD1-N 3.37Å
136N91.8Very high90.7Very high82 Ų8271 Ų7144%0.43937%0.37SS..THydrogen-bonded Turntrans-91.90.7179.2-67.4-38.5000113D133 Q138D133-N136 PolarHBondContact O-N 3.01Å; D133-N136 PolarHBondContact OD1-N 2.96Å; D133-N136 VanDerWaalsContact OD1-N 3.1Å; D133-N136 WeakPolarHBondContact OD2-CB 3.37Å; D133-N136 PolarHBondContact OD2-ND2 2.79Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 HydrophobicContact CB-CG 3.9Å; N136-Q138 PolarHBondContact O-N 3.05Å
137Q93.1Very high90.5Very high128 Ų12868 Ų6860%0.59835%0.35SS*.THydrogen-bonded Turntrans53.546.8-178-58.9-175-16.100112.4Y100 D133 Q134Y100-Q137 WeakPolarHBondContact CB-O 3.34Å; Y100-Q137 WeakPolarHBondContact CD1-O 3.45Å; Y100-Q137 HydrophobicContact CD2-CB 4.3Å; Y100-Q137 HydrophobicContact CG-CB 4.32Å; Y100-Q137 PolarHBondContact N-O 3.49Å; D133-Q137 PolarHBondContact O-N 3.35Å; Q134-Q137 PolarHBondContact O-N 3.06Å
138Q93.7Very high90.2Very high44 Ų4468.4 Ų68.421%0.20635%0.352CS..EExtended strand (participates in β ladder)trans-141.3157.7-179.166.7-174.6800111.3L98 D133 N136L98-Q138 CarbonylContact O-C 3.39Å; L98-Q138 VanDerWaalsContact O-CA 3.28Å; L98-Q138 WeakPolarHBondContact O-CA 3.37Å; D133-Q138 CarbonylContact C-O 3.55Å; D133-Q138 WeakPolarHBondContact CA-O 3.43Å; D133-Q138 HydrophobicContact CB-CG 4.02Å; D133-Q138 PolarHBondContact N-O 3.43Å; D133-Q138 PolarHBondContact O-N 2.69Å; D133-Q138 VanDerWaalsContact O-N 3.08Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 HydrophobicContact CB-CG 3.9Å; N136-Q138 PolarHBondContact O-N 3.05Å
139V93.5Very high89.4Confident2 Ų272.7 Ų72.71%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-112.1128.2167.661.30000108.7C97 L98 Y100 L103 L119 L132 V141C97-V139 WeakPolarHBondContact CA-O 3.5Å; L98-V139 HydrophobicContact CB-CG1 3.66Å; L98-V139 HydrophobicContact CD1-CG1 4.3Å; L98-V139 HydrophobicContact CG-CG1 4.5Å; L98-V139 PolarHBondContact N-O 3.44Å; L98-V139 PolarHBondContact O-N 2.93Å; Y100-V139 HydrophobicContact CE1-CB 4.31Å; L103-V139 HydrophobicContact CD1-CG1 3.74Å; L119-V139 HydrophobicContact CD1-CB 4.26Å; L119-V139 HydrophobicContact CD1-CG1 4.3Å; L119-V139 HydrophobicContact CD2-CG1 4.34Å; L132-V139 HydrophobicContact CD1-CG2 4.39Å; L132-V139 HydrophobicContact CG-CG2 4.34Å; V139-V141 HydrophobicContact CG1-CG2 4.45Å; V139-V141 HydrophobicContact CG2-CG2 4.41Å
140E93.6Very high88.5Confident78 Ų7868.4 Ų68.436%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-92.4117.3173.7-64.4-178.3176.900107.6G130 K131G130-E140 CarbonylContact C-O 3.54Å; G130-E140 WeakPolarHBondContact CA-O 3.42Å; K131-E140 PolarHBondContact N-O 3.44Å; K131-E140 PolarHBondContact O-N 2.95Å
141V93.4Very high87.4Confident11 Ų1172.9 Ų72.97%0.06738%0.384CS..EExtended strand (participates in β ladder)trans-102.5117179.7-173.10000108.5A92 K96 L98 V139 C143A92-V141 HydrophobicContact CB-CB 4.22Å; A92-V141 HydrophobicContact CB-CG1 3.9Å; A92-V141 HydrophobicContact CB-CG2 4.16Å; K96-V141 PolarHBondContact O-N 3.16Å; L98-V141 HydrophobicContact CD1-CG2 4.04Å; V139-V141 HydrophobicContact CG1-CG2 4.45Å; V139-V141 HydrophobicContact CG2-CG2 4.41Å; V141-C143 WeakPolarHBondContact CG1-O 3.22Å
142D90.3Very high86.5Confident118 Ų11872.2 Ų72.263%0.63139%0.387SS*.EExtended strand (participates in β ladder)trans-82.5-47.1178.4-69.8-39.8000110.6Q129Q129-D142 PolarHBondContact O-N 3.33Å
143C86.6Confident85.9Confident59 Ų5974 Ų7440%0.39939%0.394SS..EExtended strand (participates in β ladder)trans-148.7156.6170.974.30000111.5Q129 V141Q129-C143 VanDerWaalsContact CB-SG 3.54Å; Q129-C143 VanDerWaalsContact CG-SG 3.54Å; Q129-C143 PolarHBondContact N-O 3.08Å; Q129-C143 PolarHBondContact O-N 3.26Å; Q129-C143 PolarHBondContact OE1-SG 3.24Å; V141-C143 WeakPolarHBondContact CG1-O 3.22Å
144S88.2Confident85.6Confident39 Ų3977.8 Ų77.827%0.27341%0.413SS..EExtended strand (participates in β ladder)trans-132.9149.5174.457.30000109.3I127I127-S144 WeakPolarHBondContact O-CA 3.49Å
145V87.3Confident85.5Confident62 Ų6276.1 Ų76.138%0.37641%0.412SS..PPolyproline II helixtrans-60.8141.2170.7175.10000109.3I89 D126 I127 R147I89-V145 WeakPolarHBondContact CG2-O 3.08Å; D126-V145 VanDerWaalsContact O-CG2 3.27Å; D126-V145 WeakPolarHBondContact O-CG2 3.49Å; I127-V145 WeakPolarHBondContact O-CG2 3.36Å; I127-V145 PolarHBondContact O-N 2.92Å; V145-R147 PolarHBondContact O-N 3.23Å
146G82.1Confident85.3Confident57 Ų5770.3 Ų70.359%0.58840%0.396SS*.PPolyproline II helixtrans-65.4127.9174.800000110.8
147R84.4Confident85.2Confident55 Ų5569.4 Ų69.421%0.20839%0.391CS..PPolyproline II helixtrans-83.4164.1167.6-164.3175.770.9152.82.1110.2Y59 G60 L86 I89 S90 V145 L149Y59-R147 PolarHBondContact O-NH1 2.98Å; Y59-R147 PolarHBondContact O-NH2 3.27Å; G60-R147 PolarHBondContact O-NH1 2.96Å; L86-R147 HydrophobicContact CD2-CG 4.11Å; I89-R147 HydrophobicContact CG2-CB 4.17Å; S90-R147 PolarHBondContact OG-NE 2.71Å; S90-R147 PolarHBondContact OG-NH1 3.28Å; S90-R147 PolarHBondContact OG-NH2 3.12Å; V145-R147 PolarHBondContact O-N 3.23Å; R147-L149 PolarHBondContact O-N 3.42Å
148D80.9Confident85.1Confident12 Ų1265.9 Ų65.96%0.06438%0.384CS..PPolyproline II helixtrans-46132.5169.6-66.1-59.2000112.7V29 F30 S31 A58 Y59V29-D148 WeakPolarHBondContact CG1-OD1 2.91Å; F30-D148 PolarHBondContact N-OD1 2.94Å; F30-D148 PolarHBondContact N-OD2 2.96Å; S31-D148 VanDerWaalsContact CB-OD1 3.27Å; S31-D148 WeakPolarHBondContact CB-OD1 3.39Å; S31-D148 PolarHBondContact N-OD1 3.32Å; S31-D148 VanDerWaalsContact OG-CB 3.29Å; S31-D148 WeakPolarHBondContact OG-CB 3.27Å; S31-D148 PolarHBondContact OG-OD1 3.03Å; S31-D148 VanDerWaalsContact OG-OD1 3.06Å; A58-D148 WeakPolarHBondContact CA-OD2 3.45Å; A58-D148 HydrophobicContact CB-CB 4.15Å; A58-D148 WeakPolarHBondContact O-CB 3.39Å; Y59-D148 HydrophobicContact CD1-CB 4.29Å; Y59-D148 HydrophobicContact CE1-CB 4Å
149L75.4Confident85.2Confident95 Ų9568.3 Ų68.350%0.49740%0.398SS..PPolyproline II helixtrans-90.7125.5179.6-64177.5000109.9Y59 R147 I157Y59-L149 WeakPolarHBondContact CE1-O 3.32Å; R147-L149 PolarHBondContact O-N 3.42Å; L149-I157 HydrophobicContact CD1-CD1 4.02Å; L149-I157 HydrophobicContact CD2-CD1 3.66Å; L149-I157 HydrophobicContact CG-CD1 4.49Å
150G72Confident85.1Confident16 Ų1672 Ų7217%0.16542%0.421CS..PPolyproline II helixtrans-65.8153.4170.500000111.3N152 E153G150-N152 PolarHBondContact O-N 3.02Å; G150-E153 WeakPolarHBondContact O-CB 3.14Å; G150-E153 PolarHBondContact O-N 3.42Å
151P67.9Low85.1Confident115 Ų11572.7 Ų72.775%0.74743%0.426SS*.THydrogen-bonded Turntrans-60.2-17.5-17720.8-31.6000114.4
152N73.4Confident85.3Confident131 Ų13177.5 Ų77.570%0.70145%0.448SS*.THydrogen-bonded Turntrans-104.50.3-179.9-61.6-33.5000114G150 P155G150-N152 PolarHBondContact O-N 3.02Å; N152-P155 WeakPolarHBondContact O-CD 3.49Å; N152-P155 WeakPolarHBondContact O-CG 3.37Å
153E79.9Confident85.6Confident102 Ų10278.6 Ų78.648%0.47745%0.449SS..THydrogen-bonded Turntrans-87.2-25-175.1-65.8-89.7112.200112.3G150 N156 I157G150-E153 WeakPolarHBondContact O-CB 3.14Å; G150-E153 PolarHBondContact O-N 3.42Å; E153-N156 WeakPolarHBondContact O-CB 3.35Å; E153-N156 PolarHBondContact O-N 3.5Å; E153-N156 VanDerWaalsContact O-N 3.09Å; E153-I157 WeakPolarHBondContact O-CG1 3.16Å; E153-I157 PolarHBondContact O-N 3.18Å
154L86.4Confident86.1Confident117 Ų11784.3 Ų84.361%0.61346%0.463SS*.Hα-helixtrans-55.6-47.6179.5-170.767.3000114.4N156 I157 A158L154-N156 VanDerWaalsContact C-N 3.26Å; L154-N156 PolarHBondContact O-N 2.99Å; L154-I157 PolarHBondContact O-N 2.85Å; L154-A158 PolarHBondContact O-N 3.14Å
155P89.2Confident86.5Confident67 Ų6785.2 Ų85.244%0.43547%0.468SS..Hα-helixtrans-63.5-32176.124.1-34000112.5N152 A158 N159N152-P155 WeakPolarHBondContact O-CD 3.49Å; N152-P155 WeakPolarHBondContact O-CG 3.37Å; P155-A158 PolarHBondContact O-N 3.15Å; P155-N159 WeakPolarHBondContact O-CB 3.48Å; P155-N159 PolarHBondContact O-N 2.93Å; P155-N159 PolarHBondContact O-ND2 3.31Å
156N88.4Confident87Confident86 Ų8684.8 Ų84.846%0.4647%0.468SS..Hα-helixtrans-66.9-41.2177-62.4-7.5000111E153 L154 N159 T160E153-N156 WeakPolarHBondContact O-CB 3.35Å; E153-N156 PolarHBondContact O-N 3.5Å; E153-N156 VanDerWaalsContact O-N 3.09Å; L154-N156 VanDerWaalsContact C-N 3.26Å; L154-N156 PolarHBondContact O-N 2.99Å; N156-N159 PolarHBondContact O-N 3Å; N156-T160 WeakPolarHBondContact O-CG2 3.44Å; N156-T160 PolarHBondContact O-N 3.32Å; N156-T160 PolarHBondContact O-OG1 3.47Å
157I88.7Confident87.7Confident63 Ų6383.8 Ų83.832%0.32346%0.458SS..Hα-helixtrans-63.1-44.6174.5-63.6167.3000110.5L149 E153 L154 N159 T160 L161L149-I157 HydrophobicContact CD1-CD1 4.02Å; L149-I157 HydrophobicContact CD2-CD1 3.66Å; L149-I157 HydrophobicContact CG-CD1 4.49Å; E153-I157 WeakPolarHBondContact O-CG1 3.16Å; E153-I157 PolarHBondContact O-N 3.18Å; L154-I157 PolarHBondContact O-N 2.85Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.43Å; I157-T160 WeakPolarHBondContact CA-OG1 3.28Å; I157-T160 PolarHBondContact O-N 2.86Å; I157-T160 PolarHBondContact O-OG1 3.42Å; I157-L161 HydrophobicContact CG2-CD1 4.07Å; I157-L161 WeakPolarHBondContact O-CB 3.4Å; I157-L161 WeakPolarHBondContact O-CG 3.38Å; I157-L161 PolarHBondContact O-N 3.1Å
158A92.3Very high88.3Confident55 Ų5583.8 Ų83.846%0.45547%0.466SS..Hα-helixtrans-60.9-43.4177.300000112L154 P155 L161 Q162L154-A158 PolarHBondContact O-N 3.14Å; P155-A158 PolarHBondContact O-N 3.15Å; A158-L161 PolarHBondContact O-N 2.83Å; A158-Q162 WeakPolarHBondContact O-CB 3.48Å; A158-Q162 PolarHBondContact O-N 3.47Å
159N94.3Very high89.1Confident94 Ų9489 Ų8950%0.50349%0.49SS..Hα-helixtrans-65.1-45.8178.9-71.8-23.2000112.2P155 N156 I157 L161 Q162 E163P155-N159 WeakPolarHBondContact O-CB 3.48Å; P155-N159 PolarHBondContact O-N 2.93Å; P155-N159 PolarHBondContact O-ND2 3.31Å; N156-N159 PolarHBondContact O-N 3Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.43Å; N159-L161 VanDerWaalsContact C-N 3.34Å; N159-L161 PolarHBondContact O-N 2.94Å; N159-Q162 WeakPolarHBondContact O-CB 3.38Å; N159-Q162 PolarHBondContact O-N 3.35Å; N159-Q162 VanDerWaalsContact O-N 3.16Å; N159-E163 WeakPolarHBondContact O-CG 3.47Å; N159-E163 PolarHBondContact O-N 3.46Å
160T92.3Very high90.1Very high80 Ų8087.6 Ų87.649%0.49149%0.492SS..Hα-helixtrans-63.4-39178.649.60000112.4N156 I157 E163 W164N156-T160 WeakPolarHBondContact O-CG2 3.44Å; N156-T160 PolarHBondContact O-N 3.32Å; N156-T160 PolarHBondContact O-OG1 3.47Å; I157-T160 WeakPolarHBondContact CA-OG1 3.28Å; I157-T160 PolarHBondContact O-N 2.86Å; I157-T160 PolarHBondContact O-OG1 3.42Å; T160-E163 PolarHBondContact O-N 3.18Å; T160-W164 WeakPolarHBondContact O-CB 3.46Å; T160-W164 PolarHBondContact O-N 3.13Å
161L94.2Very high91.4Very high93 Ų9391.3 Ų91.349%0.48751%0.511SS..Hα-helixtrans-64.5-41.8172.5-71.7173.5000111.7I157 A158 N159 W164 C165I157-L161 HydrophobicContact CG2-CD1 4.07Å; I157-L161 WeakPolarHBondContact O-CB 3.4Å; I157-L161 WeakPolarHBondContact O-CG 3.38Å; I157-L161 PolarHBondContact O-N 3.1Å; A158-L161 PolarHBondContact O-N 2.83Å; N159-L161 VanDerWaalsContact C-N 3.34Å; N159-L161 PolarHBondContact O-N 2.94Å; L161-W164 PolarHBondContact O-N 3.13Å; L161-C165 PolarHBondContact O-N 3.22Å; L161-C165 PolarHBondContact O-SG 3.07Å; L161-C165 VanDerWaalsContact O-SG 3.33Å
162Q96.4Very high92.8Very high112 Ų11290.7 Ų90.752%0.52350%0.501SS..Hα-helixtrans-64.2-43.3177.6-17458.661.700111.7A158 N159 W164 C165 S166A158-Q162 WeakPolarHBondContact O-CB 3.48Å; A158-Q162 PolarHBondContact O-N 3.47Å; N159-Q162 WeakPolarHBondContact O-CB 3.38Å; N159-Q162 PolarHBondContact O-N 3.35Å; N159-Q162 VanDerWaalsContact O-N 3.16Å; Q162-W164 VanDerWaalsContact C-N 3.3Å; Q162-W164 PolarHBondContact O-N 3.3Å; Q162-C165 PolarHBondContact O-N 3.26Å; Q162-S166 PolarHBondContact NE2-OG 2.81Å; Q162-S166 WeakPolarHBondContact O-CB 3.49Å; Q162-S166 PolarHBondContact O-N 2.91Å; Q162-S166 PolarHBondContact O-OG 2.97Å; Q162-S166 VanDerWaalsContact O-OG 3.14Å
163E96.9Very high93.9Very high140 Ų14087.2 Ų87.265%0.65449%0.486SS*.Hα-helixtrans-59.4-42.2174.3-76.1176.3-173.100111.5N159 T160 G167N159-E163 WeakPolarHBondContact O-CG 3.47Å; N159-E163 PolarHBondContact O-N 3.46Å; T160-E163 PolarHBondContact O-N 3.18Å; E163-G167 PolarHBondContact O-N 3.41Å
164W96.7Very high94.8Very high179 Ų17983.7 Ų83.768%0.67848%0.477SS*.Hα-helixtrans-65.7-45177.1-177.249.7000112.5T160 L161 Q162 G167 C168T160-W164 WeakPolarHBondContact O-CB 3.46Å; T160-W164 PolarHBondContact O-N 3.13Å; L161-W164 PolarHBondContact O-N 3.13Å; Q162-W164 VanDerWaalsContact C-N 3.3Å; Q162-W164 PolarHBondContact O-N 3.3Å; W164-G167 PolarHBondContact O-N 3.37Å; W164-C168 PolarHBondContact O-N 3.36Å; W164-C168 PolarHBondContact O-SG 3.28Å
165C96.7Very high95.3Very high58 Ų5882.6 Ų82.639%0.39247%0.471SS..Hα-helixtrans-58.4-50.6174.3-72.70000111.4L161 Q162 G167 C168 E169L161-C165 PolarHBondContact O-N 3.22Å; L161-C165 PolarHBondContact O-SG 3.07Å; L161-C165 VanDerWaalsContact O-SG 3.33Å; Q162-C165 PolarHBondContact O-N 3.26Å; C165-G167 VanDerWaalsContact C-N 3.29Å; C165-G167 PolarHBondContact O-N 3.01Å; C165-C168 WeakPolarHBondContact O-CB 2.9Å; C165-C168 PolarHBondContact O-N 3.28Å; C165-C168 VanDerWaalsContact O-N 3.09Å; C165-E169 WeakPolarHBondContact O-CG 2.77Å; C165-E169 PolarHBondContact O-N 2.93Å
166S97.4Very high95.7Very high53 Ų5385.5 Ų85.537%0.37148%0.479SS..Hα-helixtrans-63.1-35.4178.5-65.10000112.4Q162 E169 A170Q162-S166 PolarHBondContact NE2-OG 2.81Å; Q162-S166 WeakPolarHBondContact O-CB 3.49Å; Q162-S166 PolarHBondContact O-N 2.91Å; Q162-S166 PolarHBondContact O-OG 2.97Å; Q162-S166 VanDerWaalsContact O-OG 3.14Å; S166-E169 PolarHBondContact O-N 2.68Å; S166-A170 WeakPolarHBondContact O-CB 3.33Å; S166-A170 PolarHBondContact O-N 2.79Å
167G97.5Very high96.1Very high37 Ų3787.2 Ų87.238%0.38148%0.484SS..Hα-helixtrans-62.4-42.4171.800000112.6E163 W164 C165 A170 V171E163-G167 PolarHBondContact O-N 3.41Å; W164-G167 PolarHBondContact O-N 3.37Å; C165-G167 VanDerWaalsContact C-N 3.29Å; C165-G167 PolarHBondContact O-N 3.01Å; G167-A170 PolarHBondContact O-N 3.09Å; G167-V171 WeakPolarHBondContact O-CG2 3.5Å; G167-V171 PolarHBondContact O-N 3.36Å; G167-V171 VanDerWaalsContact O-N 3.11Å
168C97.6Very high96.5Very high54 Ų5489.5 Ų89.537%0.36549%0.493SS..Hα-helixtrans-67-43.2176.7-65.50000111.8W164 C165 A170 V171 L172W164-C168 PolarHBondContact O-N 3.36Å; W164-C168 PolarHBondContact O-SG 3.28Å; C165-C168 WeakPolarHBondContact O-CB 2.9Å; C165-C168 PolarHBondContact O-N 3.28Å; C165-C168 VanDerWaalsContact O-N 3.09Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 3Å; C168-V171 PolarHBondContact O-N 3.26Å; C168-L172 WeakPolarHBondContact O-CB 3.21Å; C168-L172 VanDerWaalsContact O-CG 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.46Å; C168-L172 PolarHBondContact O-N 3.03Å
169E97.3Very high96.8Very high123 Ų12390.6 Ų90.658%0.57549%0.494SS*.Hα-helixtrans-60.4-42.4175.1-72.4173.2179.700111.8C165 S166 V171 L172 C173C165-E169 WeakPolarHBondContact O-CG 2.77Å; C165-E169 PolarHBondContact O-N 2.93Å; S166-E169 PolarHBondContact O-N 2.68Å; E169-V171 PolarHBondContact O-N 3.28Å; E169-L172 PolarHBondContact O-N 3.11Å; E169-C173 VanDerWaalsContact O-CB 3.29Å; E169-C173 WeakPolarHBondContact O-CB 3.48Å; E169-C173 PolarHBondContact O-N 3.33Å
170A97.3Very high96.9Very high65 Ų6589.5 Ų89.554%0.53749%0.491SS..Hα-helixtrans-63.2-42.2177.100000112.3S166 G167 C168 G174S166-A170 WeakPolarHBondContact O-CB 3.33Å; S166-A170 PolarHBondContact O-N 2.79Å; G167-A170 PolarHBondContact O-N 3.09Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 3Å; A170-G174 PolarHBondContact O-N 3.34Å
171V98.1Very high97.2Very high93 Ų9393.8 Ų93.856%0.56450%0.498SS*.Hα-helixtrans-65.5-43.5176172.30000111G167 C168 E169 G174 I175G167-V171 WeakPolarHBondContact O-CG2 3.5Å; G167-V171 PolarHBondContact O-N 3.36Å; G167-V171 VanDerWaalsContact O-N 3.11Å; C168-V171 PolarHBondContact O-N 3.26Å; E169-V171 PolarHBondContact O-N 3.28Å; V171-G174 PolarHBondContact O-N 3.44Å; V171-I175 HydrophobicContact CG1-CD1 3.97Å; V171-I175 VanDerWaalsContact O-CG1 3.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.41Å; V171-I175 PolarHBondContact O-N 3.4Å
172L97.6Very high97.3Very high102 Ų10292.1 Ų92.153%0.53450%0.498SS..Hα-helixtrans-62-48177.3-73170.7000111.6C168 E169 G174 I175 E176C168-L172 WeakPolarHBondContact O-CB 3.21Å; C168-L172 VanDerWaalsContact O-CG 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.46Å; C168-L172 PolarHBondContact O-N 3.03Å; E169-L172 PolarHBondContact O-N 3.11Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 3.45Å; L172-I175 WeakPolarHBondContact O-CB 3.49Å; L172-I175 PolarHBondContact O-N 2.97Å; L172-I175 VanDerWaalsContact O-N 3.11Å; L172-E176 WeakPolarHBondContact O-CG 3.47Å; L172-E176 PolarHBondContact O-N 3.08Å
173C97.1Very high97.4Very high59 Ų5990.7 Ų90.740%0.39949%0.494SS..Hα-helixtrans-58.3-44.9175.6-173.40000111.2E169 I175 E176 E177E169-C173 VanDerWaalsContact O-CB 3.29Å; E169-C173 WeakPolarHBondContact O-CB 3.48Å; E169-C173 PolarHBondContact O-N 3.33Å; C173-I175 VanDerWaalsContact C-N 3.31Å; C173-I175 PolarHBondContact O-N 2.93Å; C173-E176 PolarHBondContact O-N 3.33Å; C173-E177 WeakPolarHBondContact O-CG 3.29Å; C173-E177 PolarHBondContact O-N 2.99Å
174G97.6Very high97.3Very high28 Ų2889.8 Ų89.829%0.28949%0.49SS..Hα-helixtrans-58.9-40.1175.300000113A170 V171 L172 Q178A170-G174 PolarHBondContact O-N 3.34Å; V171-G174 PolarHBondContact O-N 3.44Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 3.45Å; G174-Q178 WeakPolarHBondContact O-CG 3.27Å; G174-Q178 PolarHBondContact O-N 3.44Å
175I97.6Very high97.3Very high94 Ų9488.6 Ų88.648%0.48249%0.486SS..Hα-helixtrans-65.9-45.3175.3-68.1165.2000110.8V171 L172 C173 E177 Q178 V179V171-I175 HydrophobicContact CG1-CD1 3.97Å; V171-I175 VanDerWaalsContact O-CG1 3.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.41Å; V171-I175 PolarHBondContact O-N 3.4Å; L172-I175 WeakPolarHBondContact O-CB 3.49Å; L172-I175 PolarHBondContact O-N 2.97Å; L172-I175 VanDerWaalsContact O-N 3.11Å; C173-I175 VanDerWaalsContact C-N 3.31Å; C173-I175 PolarHBondContact O-N 2.93Å; I175-E177 VanDerWaalsContact C-N 3.31Å; I175-E177 PolarHBondContact O-N 3.44Å; I175-Q178 PolarHBondContact O-N 3.42Å; I175-V179 HydrophobicContact CG2-CG2 4.4Å; I175-V179 WeakPolarHBondContact O-CG2 3.39Å; I175-V179 PolarHBondContact O-N 3Å
176E97.5Very high97.3Very high128 Ų12893 Ų9360%0.59849%0.494SS*.Hα-helixtrans-60.5-40178.2-71.2175.9179.500112.3L172 C173 V179 T180L172-E176 WeakPolarHBondContact O-CG 3.47Å; L172-E176 PolarHBondContact O-N 3.08Å; C173-E176 PolarHBondContact O-N 3.33Å; E176-V179 PolarHBondContact O-N 2.81Å; E176-T180 WeakPolarHBondContact O-CB 3.37Å; E176-T180 PolarHBondContact O-N 2.58Å; E176-T180 PolarHBondContact O-OG1 3.29Å
177E97.4Very high97.3Very high122 Ų12294.9 Ų94.957%0.5750%0.498SS*.Hα-helixtrans-63.6-45.4173.2-75-176.6176.700111.8C173 I175 V179 T180 R181C173-E177 WeakPolarHBondContact O-CG 3.29Å; C173-E177 PolarHBondContact O-N 2.99Å; I175-E177 VanDerWaalsContact C-N 3.31Å; I175-E177 PolarHBondContact O-N 3.44Å; E177-V179 VanDerWaalsContact C-N 3.33Å; E177-V179 PolarHBondContact O-N 3.02Å; E177-T180 PolarHBondContact O-N 2.89Å; E177-R181 WeakPolarHBondContact O-CB 3.36Å; E177-R181 PolarHBondContact O-N 2.93Å
178Q97.1Very high97.2Very high110 Ų11096 Ų9651%0.51450%0.5SS..Hα-helixtrans-63.7-38.8177.2-67.1-47.2-37.400112.1G174 I175 R181 A182G174-Q178 WeakPolarHBondContact O-CG 3.27Å; G174-Q178 PolarHBondContact O-N 3.44Å; I175-Q178 PolarHBondContact O-N 3.42Å; Q178-R181 PolarHBondContact O-N 3.06Å; Q178-A182 WeakPolarHBondContact O-CB 3.19Å; Q178-A182 PolarHBondContact O-N 3.28Å
179V97.7Very high97Very high78 Ų7897.6 Ų97.647%0.47350%0.502SS..Hα-helixtrans-61.7-46.2174.4169.80000110.4I175 E176 E177 A182 N183I175-V179 HydrophobicContact CG2-CG2 4.4Å; I175-V179 WeakPolarHBondContact O-CG2 3.39Å; I175-V179 PolarHBondContact O-N 3Å; E176-V179 PolarHBondContact O-N 2.81Å; E177-V179 VanDerWaalsContact C-N 3.33Å; E177-V179 PolarHBondContact O-N 3.02Å; V179-A182 PolarHBondContact O-N 3.48Å; V179-N183 WeakPolarHBondContact O-CB 3.48Å; V179-N183 PolarHBondContact O-N 3.5Å; V179-N183 PolarHBondContact O-ND2 2.97Å
180T97.4Very high96.9Very high72 Ų7296.3 Ų96.344%0.44250%0.498SS..Hα-helixtrans-62.2-45.9178.4-60.20000111.2E176 E177 A182 N183 Q184E176-T180 WeakPolarHBondContact O-CB 3.37Å; E176-T180 PolarHBondContact O-N 2.58Å; E176-T180 PolarHBondContact O-OG1 3.29Å; E177-T180 PolarHBondContact O-N 2.89Å; T180-A182 PolarHBondContact O-N 2.77Å; T180-N183 PolarHBondContact O-N 2.7Å; T180-Q184 HydrophobicContact CG2-CG 4.45Å; T180-Q184 WeakPolarHBondContact O-CB 3.37Å; T180-Q184 VanDerWaalsContact O-CG 3.32Å; T180-Q184 WeakPolarHBondContact O-CG 3.36Å; T180-Q184 PolarHBondContact O-N 3.16Å
181R97.4Very high96.9Very high169 Ų16999.2 Ų99.264%0.63850%0.499SS*.Hα-helixtrans-60.5-45.2177.2-173.5179.9-175.2176.13.4112.1E177 Q178 N183 Q184 Y185E177-R181 WeakPolarHBondContact O-CB 3.36Å; E177-R181 PolarHBondContact O-N 2.93Å; Q178-R181 PolarHBondContact O-N 3.06Å; R181-N183 VanDerWaalsContact C-N 3.34Å; R181-N183 PolarHBondContact O-N 3.1Å; R181-Q184 PolarHBondContact O-N 3.5Å; R181-Y185 WeakPolarHBondContact O-CB 3.42Å; R181-Y185 PolarHBondContact O-N 3.24Å
182A97.5Very high96.8Very high58 Ų5898.1 Ų98.148%0.47949%0.492SS..Hα-helixtrans-63.1-41.3177.700000111.8Q178 V179 T180 Y185 R186Q178-A182 WeakPolarHBondContact O-CB 3.19Å; Q178-A182 PolarHBondContact O-N 3.28Å; V179-A182 PolarHBondContact O-N 3.48Å; T180-A182 PolarHBondContact O-N 2.77Å; A182-Y185 PolarHBondContact O-N 2.91Å; A182-R186 WeakPolarHBondContact O-CB 3.32Å; A182-R186 PolarHBondContact O-N 2.92Å
183N97.1Very high96.6Very high83 Ų8399.2 Ų99.244%0.44449%0.493SS..Hα-helixtrans-65.2-45.4176.7-77.4-33.3000112.4V179 T180 R181 R186 E187V179-N183 WeakPolarHBondContact O-CB 3.48Å; V179-N183 PolarHBondContact O-N 3.5Å; V179-N183 PolarHBondContact O-ND2 2.97Å; T180-N183 PolarHBondContact O-N 2.7Å; R181-N183 VanDerWaalsContact C-N 3.34Å; R181-N183 PolarHBondContact O-N 3.1Å; N183-R186 PolarHBondContact O-N 3.26Å; N183-E187 WeakPolarHBondContact O-CB 3.38Å; N183-E187 PolarHBondContact O-N 2.98Å
184Q96.6Very high96.6Very high120 Ų120100 Ų10056%0.56150%0.496SS*.Hα-helixtrans-62.2-42.8176.1-72.8174.61.800111.8T180 R181 E187 S188T180-Q184 HydrophobicContact CG2-CG 4.45Å; T180-Q184 WeakPolarHBondContact O-CB 3.37Å; T180-Q184 VanDerWaalsContact O-CG 3.32Å; T180-Q184 WeakPolarHBondContact O-CG 3.36Å; T180-Q184 PolarHBondContact O-N 3.16Å; R181-Q184 PolarHBondContact O-N 3.5Å; Q184-E187 PolarHBondContact O-N 3.15Å; Q184-S188 WeakPolarHBondContact O-CB 3.24Å; Q184-S188 PolarHBondContact O-N 3.26Å
185Y96.4Very high96.4Very high154 Ų154104.6 Ų104.660%0.60451%0.51SS*.Hα-helixtrans-61.1-47.4175.6-178.4-101.1000111.2R181 A182 E187 S188 Q189R181-Y185 WeakPolarHBondContact O-CB 3.42Å; R181-Y185 PolarHBondContact O-N 3.24Å; A182-Y185 PolarHBondContact O-N 2.91Å; Y185-E187 VanDerWaalsContact C-N 3.31Å; Y185-E187 PolarHBondContact O-N 2.88Å; Y185-S188 PolarHBondContact O-N 2.79Å; Y185-Q189 HydrophobicContact CD1-CG 4.12Å; Y185-Q189 HydrophobicContact CE1-CG 3.73Å; Y185-Q189 HydrophobicContact CE2-CG 4.16Å; Y185-Q189 HydrophobicContact CG-CG 4.49Å; Y185-Q189 VanDerWaalsContact O-CG 3.32Å; Y185-Q189 WeakPolarHBondContact O-CG 3.35Å; Y185-Q189 PolarHBondContact O-N 2.93Å; Y185-Q189 PolarHBondContact OH-NE2 3.2Å
186R96.8Very high96.3Very high150 Ų150104.2 Ų104.257%0.56651%0.511SS*.Hα-helixtrans-57.7-43.2175.9-172.9-172.467.677.42111.8A182 N183 L190A182-R186 WeakPolarHBondContact O-CB 3.32Å; A182-R186 PolarHBondContact O-N 2.92Å; N183-R186 PolarHBondContact O-N 3.26Å; R186-L190 WeakPolarHBondContact O-CB 3.33Å; R186-L190 PolarHBondContact O-N 2.99Å
187E96.3Very high96.1Very high93 Ų93103.1 Ų103.144%0.43551%0.506SS..Hα-helixtrans-67-41.8179-164.6-171.1151.100112.1N183 Q184 Y185 L190 K191N183-E187 WeakPolarHBondContact O-CB 3.38Å; N183-E187 PolarHBondContact O-N 2.98Å; Q184-E187 PolarHBondContact O-N 3.15Å; Y185-E187 VanDerWaalsContact C-N 3.31Å; Y185-E187 PolarHBondContact O-N 2.88Å; E187-L190 WeakPolarHBondContact O-CB 3.33Å; E187-L190 PolarHBondContact O-N 2.97Å; E187-K191 WeakPolarHBondContact O-CG 3.19Å; E187-K191 PolarHBondContact O-N 3.39Å; E187-K191 WeakPolarHBondContact OE1-CE 3.42Å; E187-K191 IonicContact OE1-NZ 2.75Å; E187-K191 PolarHBondContact OE1-NZ 3.38Å
188S95.7Very high96Very high61 Ų61100.5 Ų100.543%0.42750%0.498SS..Hα-helixtrans-61.5-46.7174.8179.10000111.5Q184 Y185 L190 K191 V192Q184-S188 WeakPolarHBondContact O-CB 3.24Å; Q184-S188 PolarHBondContact O-N 3.26Å; Y185-S188 PolarHBondContact O-N 2.79Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 3.1Å; S188-K191 WeakPolarHBondContact O-CB 3.46Å; S188-K191 PolarHBondContact O-N 3.24Å; S188-V192 WeakPolarHBondContact O-CG2 3.49Å; S188-V192 PolarHBondContact O-N 2.99Å
189Q94.4Very high95.8Very high87 Ų87100.1 Ų100.141%0.40750%0.497SS..Hα-helixtrans-61.6-39176.2-69.4-59.1-32.900112Y185 V192 K193Y185-Q189 HydrophobicContact CD1-CG 4.12Å; Y185-Q189 HydrophobicContact CE1-CG 3.73Å; Y185-Q189 HydrophobicContact CE2-CG 4.16Å; Y185-Q189 HydrophobicContact CG-CG 4.49Å; Y185-Q189 VanDerWaalsContact O-CG 3.32Å; Y185-Q189 WeakPolarHBondContact O-CG 3.35Å; Y185-Q189 PolarHBondContact O-N 2.93Å; Y185-Q189 PolarHBondContact OH-NE2 3.2Å; Q189-V192 PolarHBondContact O-N 3.19Å; Q189-K193 WeakPolarHBondContact O-CB 3.49Å; Q189-K193 PolarHBondContact O-N 3.03Å
190L95.5Very high95.6Very high96 Ų9699.8 Ų99.850%0.50350%0.495SS..Hα-helixtrans-62.5-44.6174.8-163.887.8000111.4R186 E187 S188 K193 V194R186-L190 WeakPolarHBondContact O-CB 3.33Å; R186-L190 PolarHBondContact O-N 2.99Å; E187-L190 WeakPolarHBondContact O-CB 3.33Å; E187-L190 PolarHBondContact O-N 2.97Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 3.1Å; L190-K193 PolarHBondContact O-N 3.37Å; L190-V194 WeakPolarHBondContact O-CG2 3.21Å; L190-V194 PolarHBondContact O-N 3.1Å
191K95.8Very high95.3Very high126 Ų12698.6 Ų98.655%0.54849%0.489SS..Hα-helixtrans-60.9-47.3177.4-73.5171.4-176.2167.40111.6E187 S188 K193 V194 Q195E187-K191 WeakPolarHBondContact O-CG 3.19Å; E187-K191 PolarHBondContact O-N 3.39Å; E187-K191 WeakPolarHBondContact OE1-CE 3.42Å; E187-K191 IonicContact OE1-NZ 2.75Å; E187-K191 PolarHBondContact OE1-NZ 3.38Å; S188-K191 WeakPolarHBondContact O-CB 3.46Å; S188-K191 PolarHBondContact O-N 3.24Å; K191-K193 VanDerWaalsContact C-N 3.34Å; K191-K193 PolarHBondContact O-N 3.25Å; K191-V194 PolarHBondContact O-N 2.86Å; K191-Q195 WeakPolarHBondContact O-CB 3.18Å; K191-Q195 PolarHBondContact O-N 2.91Å
192V95.6Very high95Very high70 Ų7093.8 Ų93.842%0.42448%0.476SS..Hα-helixtrans-59.6-46.4177.1172.60000110.6S188 Q189 V194 Q195 V196S188-V192 WeakPolarHBondContact O-CG2 3.49Å; S188-V192 PolarHBondContact O-N 2.99Å; Q189-V192 PolarHBondContact O-N 3.19Å; V192-V194 PolarHBondContact O-N 2.92Å; V192-Q195 PolarHBondContact O-N 2.97Å; V192-V196 HydrophobicContact CG1-CG2 4.48Å; V192-V196 WeakPolarHBondContact O-CG2 3.3Å; V192-V196 PolarHBondContact O-N 3.46Å
193K94.9Very high94.7Very high126 Ų12696.2 Ų96.255%0.54848%0.48SS..Hα-helixtrans-58.7-48.8177.8-178.2179.1170.2-1790112Q189 L190 K191 Q195 V196 E197Q189-K193 WeakPolarHBondContact O-CB 3.49Å; Q189-K193 PolarHBondContact O-N 3.03Å; L190-K193 PolarHBondContact O-N 3.37Å; K191-K193 VanDerWaalsContact C-N 3.34Å; K191-K193 PolarHBondContact O-N 3.25Å; K193-Q195 VanDerWaalsContact C-N 3.3Å; K193-Q195 PolarHBondContact O-N 3.27Å; K193-V196 PolarHBondContact O-N 2.94Å; K193-E197 WeakPolarHBondContact CE-OE1 3.31Å; K193-E197 IonicContact NZ-OE1 3.88Å; K193-E197 WeakPolarHBondContact O-CG 3.4Å; K193-E197 PolarHBondContact O-N 2.86Å
194V95.8Very high94.3Very high76 Ų7697.5 Ų97.546%0.46148%0.484SS..Hα-helixtrans-62-39.3178.5170.60000111.3L190 K191 V192 E197 T198L190-V194 WeakPolarHBondContact O-CG2 3.21Å; L190-V194 PolarHBondContact O-N 3.1Å; K191-V194 PolarHBondContact O-N 2.86Å; V192-V194 PolarHBondContact O-N 2.92Å; V194-E197 PolarHBondContact O-N 3.33Å; V194-T198 WeakPolarHBondContact O-CB 3.35Å; V194-T198 PolarHBondContact O-N 3.11Å; V194-T198 PolarHBondContact O-OG1 3.07Å
195Q94.8Very high93.9Very high124 Ų12498 Ų9858%0.57948%0.484SS*.Hα-helixtrans-63.8-48.3177.6-16817118.600111.1K191 V192 K193 E197 T198 E199K191-Q195 WeakPolarHBondContact O-CB 3.18Å; K191-Q195 PolarHBondContact O-N 2.91Å; V192-Q195 PolarHBondContact O-N 2.97Å; K193-Q195 VanDerWaalsContact C-N 3.3Å; K193-Q195 PolarHBondContact O-N 3.27Å; Q195-E197 PolarHBondContact O-N 3.45Å; Q195-T198 PolarHBondContact O-N 3.23Å; Q195-T198 VanDerWaalsContact O-N 3.17Å; Q195-E199 WeakPolarHBondContact O-CG 3.44Å; Q195-E199 PolarHBondContact O-N 3.43Å
196V94.8Very high93.4Very high85 Ų8594.8 Ų94.852%0.51548%0.481SS..Hα-helixtrans-59.3-45.5175.71730000111.4V192 K193 T198 E199 V200V192-V196 HydrophobicContact CG1-CG2 4.48Å; V192-V196 WeakPolarHBondContact O-CG2 3.3Å; V192-V196 PolarHBondContact O-N 3.46Å; K193-V196 PolarHBondContact O-N 2.94Å; V196-T198 VanDerWaalsContact C-N 3.28Å; V196-T198 PolarHBondContact O-N 3.13Å; V196-E199 PolarHBondContact O-N 3.44Å; V196-V200 HydrophobicContact CG1-CG2 4.36Å; V196-V200 WeakPolarHBondContact O-CB 3.45Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.45Å; V196-V200 PolarHBondContact O-N 3.07Å
197E93.9Very high92.6Very high105 Ų10593.7 Ų93.749%0.49149%0.486SS..Hα-helixtrans-60.3-37.9176.9-74.6174.5175.200112.2K193 V194 Q195 S201K193-E197 WeakPolarHBondContact CE-OE1 3.31Å; K193-E197 IonicContact NZ-OE1 3.88Å; K193-E197 WeakPolarHBondContact O-CG 3.4Å; K193-E197 PolarHBondContact O-N 2.86Å; V194-E197 PolarHBondContact O-N 3.33Å; Q195-E197 PolarHBondContact O-N 3.45Å; E197-S201 WeakPolarHBondContact O-CB 3.44Å; E197-S201 PolarHBondContact O-N 3.25Å
198T94Very high91.9Very high67 Ų6796.6 Ų96.641%0.41150%0.497SS..Hα-helixtrans-69.5-45.5177.9-55.50000111.6V194 Q195 V196 V200 S201 N202V194-T198 WeakPolarHBondContact O-CB 3.35Å; V194-T198 PolarHBondContact O-N 3.11Å; V194-T198 PolarHBondContact O-OG1 3.07Å; Q195-T198 PolarHBondContact O-N 3.23Å; Q195-T198 VanDerWaalsContact O-N 3.17Å; V196-T198 VanDerWaalsContact C-N 3.28Å; V196-T198 PolarHBondContact O-N 3.13Å; T198-V200 PolarHBondContact O-N 3.07Å; T198-S201 WeakPolarHBondContact O-CB 3.31Å; T198-S201 PolarHBondContact O-N 3.21Å; T198-N202 VanDerWaalsContact O-CG 3.27Å; T198-N202 PolarHBondContact O-N 3.15Å; T198-N202 PolarHBondContact O-ND2 3.3Å
199E93.5Very high90.9Very high103 Ų10396.9 Ų96.948%0.48150%0.503SS..Hα-helixtrans-61.1-43.9175.8-68.4-55.6136.300111.5Q195 V196 S201 N202 L203Q195-E199 WeakPolarHBondContact O-CG 3.44Å; Q195-E199 PolarHBondContact O-N 3.43Å; V196-E199 PolarHBondContact O-N 3.44Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.12Å; E199-N202 PolarHBondContact O-N 3.02Å; E199-L203 WeakPolarHBondContact O-CB 3.46Å; E199-L203 WeakPolarHBondContact O-CG 3.19Å; E199-L203 PolarHBondContact O-N 3.42Å
200V93Very high89.6Confident70 Ų7097.2 Ų97.242%0.42452%0.515SS..Hα-helixtrans-60.2-43.9175.1170.90000111.1V196 T198 L203 Q204V196-V200 HydrophobicContact CG1-CG2 4.36Å; V196-V200 WeakPolarHBondContact O-CB 3.45Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.45Å; V196-V200 PolarHBondContact O-N 3.07Å; T198-V200 PolarHBondContact O-N 3.07Å; V200-L203 PolarHBondContact O-N 3.31Å; V200-Q204 WeakPolarHBondContact O-CG 3.39Å; V200-Q204 PolarHBondContact O-N 3.29Å
201S92Very high88Confident47 Ų4797.2 Ų97.233%0.32952%0.523SS..Hα-helixtrans-62.7-41.5176.7-172.90000112.4E197 T198 E199 Q204 K205E197-S201 WeakPolarHBondContact O-CB 3.44Å; E197-S201 PolarHBondContact O-N 3.25Å; T198-S201 WeakPolarHBondContact O-CB 3.31Å; T198-S201 PolarHBondContact O-N 3.21Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.12Å; S201-Q204 PolarHBondContact O-N 3.48Å; S201-K205 WeakPolarHBondContact O-CG 3.48Å; S201-K205 PolarHBondContact O-N 3.21Å; S201-K205 VanDerWaalsContact O-N 3.09Å
202N91Very high86Confident68 Ų6894.9 Ų94.936%0.36453%0.527SS..Hα-helixtrans-66.1-45.4177.6-70.7-21.3000111.6T198 E199 Q204 K205 T206T198-N202 VanDerWaalsContact O-CG 3.27Å; T198-N202 PolarHBondContact O-N 3.15Å; T198-N202 PolarHBondContact O-ND2 3.3Å; E199-N202 PolarHBondContact O-N 3.02Å; N202-Q204 VanDerWaalsContact C-N 3.35Å; N202-Q204 PolarHBondContact O-N 3.35Å; N202-K205 PolarHBondContact O-N 2.97Å; N202-K205 VanDerWaalsContact O-N 3.17Å; N202-T206 PolarHBondContact O-N 3.46Å; N202-T206 PolarHBondContact O-OG1 3.03Å
203L91Very high83.4Confident109 Ų10996.4 Ų96.457%0.57154%0.541SS*.Hα-helixtrans-59.8-43.1175.2-72.5171.7000112E199 V200 K205 T206 L207E199-L203 WeakPolarHBondContact O-CB 3.46Å; E199-L203 WeakPolarHBondContact O-CG 3.19Å; E199-L203 PolarHBondContact O-N 3.42Å; V200-L203 PolarHBondContact O-N 3.31Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.18Å; L203-T206 PolarHBondContact O-N 3.2Å; L203-L207 WeakPolarHBondContact O-CB 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.32Å
204Q88.6Confident81.4Confident111 Ų11196.5 Ų96.552%0.51955%0.554SS.*Hα-helixtrans-60.6-39.2175.2-76.4-178.68.200112.6V200 S201 N202 K208V200-Q204 WeakPolarHBondContact O-CG 3.39Å; V200-Q204 PolarHBondContact O-N 3.29Å; S201-Q204 PolarHBondContact O-N 3.48Å; N202-Q204 VanDerWaalsContact C-N 3.35Å; N202-Q204 PolarHBondContact O-N 3.35Å; Q204-K208 WeakPolarHBondContact O-CG 3.46Å; Q204-K208 PolarHBondContact O-N 3.16Å; Q204-K208 VanDerWaalsContact O-N 3.1Å
205K89.3Confident78.8Confident129 Ų12998.7 Ų98.756%0.56157%0.573SS**Hα-helixtrans-67.5-44.7176.7-72.2171.3-172.81690111.7S201 N202 L203 K208 A209S201-K205 WeakPolarHBondContact O-CG 3.48Å; S201-K205 PolarHBondContact O-N 3.21Å; S201-K205 VanDerWaalsContact O-N 3.09Å; N202-K205 PolarHBondContact O-N 2.97Å; N202-K205 VanDerWaalsContact O-N 3.17Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.18Å; K205-K208 PolarHBondContact O-N 3.36Å; K205-A209 WeakPolarHBondContact O-CB 3.43Å; K205-A209 PolarHBondContact O-N 2.99Å
206T85.4Confident76.2Confident87 Ų8798.7 Ų98.753%0.53459%0.586SS.*Hα-helixtrans-62.2-44.9177.6-56.30000111.4N202 L203 K208 A209 S210N202-T206 PolarHBondContact O-N 3.46Å; N202-T206 PolarHBondContact O-OG1 3.03Å; L203-T206 PolarHBondContact O-N 3.2Å; T206-K208 VanDerWaalsContact C-N 3.35Å; T206-K208 PolarHBondContact O-N 3.25Å; T206-A209 PolarHBondContact O-N 3.23Å; T206-S210 PolarHBondContact O-N 3.05Å; T206-S210 PolarHBondContact O-OG 3.32Å
207L79.7Confident73.4Confident128 Ų12898 Ų9867%0.6760%0.596SS**Hα-helixtrans-58.6-44.1175.1-79163.9000112.1L203 S210 S211L203-L207 WeakPolarHBondContact O-CB 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.32Å; L207-S210 PolarHBondContact O-N 2.92Å; L207-S211 PolarHBondContact O-N 2.78Å; L207-S211 VanDerWaalsContact O-N 3.11Å; L207-S211 PolarHBondContact O-OG 3.34Å
208K81.3Confident71.4Confident154 Ų15499.6 Ų99.667%0.6762%0.616SS**Hα-helixtrans-64-41175.5-78.3179.5178.6178.10112.6Q204 K205 T206 S211 A212Q204-K208 WeakPolarHBondContact O-CG 3.46Å; Q204-K208 PolarHBondContact O-N 3.16Å; Q204-K208 VanDerWaalsContact O-N 3.1Å; K205-K208 PolarHBondContact O-N 3.36Å; T206-K208 VanDerWaalsContact C-N 3.35Å; T206-K208 PolarHBondContact O-N 3.25Å; K208-S211 WeakPolarHBondContact CA-OG 3.35Å; K208-S211 PolarHBondContact O-N 3.23Å; K208-S211 PolarHBondContact O-OG 3.4Å; K208-A212 PolarHBondContact O-N 3.24Å
209A75.4Confident68.7Low67 Ų67101.1 Ų101.155%0.55464%0.636SS**Hα-helixtrans-65.9-40.9177.900000112.5K205 T206 S211 A212K205-A209 WeakPolarHBondContact O-CB 3.43Å; K205-A209 PolarHBondContact O-N 2.99Å; T206-A209 PolarHBondContact O-N 3.23Å; A209-S211 VanDerWaalsContact C-N 3.28Å; A209-S211 PolarHBondContact O-N 3.39Å; A209-A212 PolarHBondContact O-N 2.77Å
210S66.6Low65.8Low93 Ų93101.3 Ų101.365%0.6565%0.654SS**Hα-helixtrans-68.5-25175.4-63.10000113.3T206 L207 A212T206-S210 PolarHBondContact O-N 3.05Å; T206-S210 PolarHBondContact O-OG 3.32Å; L207-S210 PolarHBondContact O-N 2.92Å; S210-A212 VanDerWaalsContact C-N 3.3Å
211S61Low63.2Low96 Ų96103 Ų10367%0.67168%0.676SS**THydrogen-bonded Turntrans-79.3-6173.669.10000114.8L207 K208 A209L207-S211 PolarHBondContact O-N 2.78Å; L207-S211 VanDerWaalsContact O-N 3.11Å; L207-S211 PolarHBondContact O-OG 3.34Å; K208-S211 WeakPolarHBondContact CA-OG 3.35Å; K208-S211 PolarHBondContact O-N 3.23Å; K208-S211 PolarHBondContact O-OG 3.4Å; A209-S211 VanDerWaalsContact C-N 3.28Å; A209-S211 PolarHBondContact O-N 3.39Å
212A54.3Low60.3Low77 Ų77104.5 Ų104.564%0.63670%0.699SS**THydrogen-bonded Turntrans-104.26.4-172.400000115.3K208 A209 S210K208-A212 PolarHBondContact O-N 3.24Å; A209-A212 PolarHBondContact O-N 2.77Å; S210-A212 VanDerWaalsContact C-N 3.3Å
213S41.7Very low57.8Low102 Ų102106.4 Ų106.471%0.71372%0.724SS**  trans-83.8125.4168.9-70.40000111.1
214P53Low55Low129 Ų129106.1 Ų106.184%0.83874%0.738SS**  trans-88.7132-173.333.2-30.9000112
215S39.7Very low52.7Low122 Ų122105.7 Ų105.785%0.85375%0.747SS**  trans-119.3119154.160.70000109.7
216S41Very low50.1Low123 Ų123107.1 Ų107.186%0.8676%0.76SS**  trans-75.4135.3173.543.20000111.3
217G36.1Very low48Very low70 Ų70111.8 Ų111.872%0.72278%0.776SS**  trans-70.8-158.5-169.900000118.3
218P52.2Low45.7Very low139 Ų139112.9 Ų112.990%0.90378%0.783SS**  -143.4-17857.238.2-17000117.4
219A37.3Very low43.6Very low100 Ų100109.7 Ų109.783%0.82679%0.785SS**  trans-64.5155.5-166.600000118.8
220A32.3Very low41.5Very low106 Ų106113.6 Ų113.688%0.87680%0.796SS**  trans-167.4148.2135.100000112
221A37.6Very low40Very low107 Ų107117 Ų11788%0.88480%0.802SS**  trans-68.8156.7-171.600000115.7
222G31.4Very low38.8Very low78 Ų78118.7 Ų118.780%0.80481%0.811SS**  trans177.2104.4165.600000112.2
223A38.2Very low37.8Very low108 Ų108119.2 Ų119.289%0.89382%0.815SS**  trans-69.1141.6176.400000112.6
224A33.3Very low37.6Very low103 Ų103123.3 Ų123.385%0.85182%0.823SS**  trans-167.9133.214100000111.1
225S38.9Very low37Very low102 Ų102123.1 Ų123.171%0.71382%0.822SS**  trans-58.4146.5178-50.50000114.7
226N36.5Very low36.9Very low158 Ų158128.7 Ų128.785%0.84582%0.824SS**  170.3117.3107.3-81.2-21.4000112.2
227Q39.8Very low36.4Very low186 Ų186130.6 Ų130.687%0.86983%0.825SS**  trans-52.3158149.6-77.9169.325.500110.5
228D32.8Very low36.6Very low151 Ų151132.5 Ų132.581%0.80782%0.824SS**  cis-174.1176.4-1.9-160.3-82.1000106.4
229A35.4Very low35.5Very low86 Ų86130.6 Ų130.671%0.71182%0.82SS**  trans76.9103.4169.400000117.7
230D32.3Very low35.2Very low149 Ų149131 Ų13180%0.79782%0.817SS**  82.2105.458.5-163.250.2000114.1
231Q34.3Very low35.1Very low164 Ų164131.6 Ų131.677%0.76682%0.815SS**  trans166.4139.1140.8-94.2-178.958.300110
232P36.1Very low34.9Very low132 Ų132135.5 Ų135.586%0.85782%0.815SS**  -139.9153.293.528.4-9.2000115.4
233A33.8Very low35Very low88 Ų88141 Ų14173%0.72782%0.819SS**PPolyproline II helixtrans-62.7145.2-177.200000115.7
234E38.4Very low34.8Very low188 Ų188141 Ų14188%0.87981%0.81SS**PPolyproline II helixtrans-74.7155.2159.1-71.1-165.5117.200112.3
235P40.2Very low34.6Very low125 Ų125147.3 Ų147.381%0.81281%0.812SS**PPolyproline II helixtrans-97.6137.2149.832-20.5000112.4
236R36.7Very low34.4Very low239 Ų239151.2 Ų151.290%0.90282%0.819SS**PPolyproline II helixtrans-48153.9177.5-75.5171.7155.3123.5-4.3117.6
237D30.4Very low34.6Very low164 Ų164149.1 Ų149.188%0.87781%0.814SS**  -135.8154.7127.1-106.4-44.7000111.1
238P40Very low34Very low110 Ų110144 Ų14471%0.71481%0.811SS**  trans-102.4148.1-163.737.9-31.5000113.7
239A29.1Very low34.2Very low98 Ų98146.4 Ų146.481%0.8181%0.814SS**  trans-179.1111.2137.200000112.8
240S31.8Very low34Very low109 Ų109152.3 Ų152.376%0.76282%0.824SS**  trans41.4114.7131.5-157.30000120.1
241S29.9Very low34Very low118 Ų118150.6 Ų150.683%0.82582%0.824SS**  trans-161.4111.6131.4-80.60000111.8
242Q32.9Very low33.9Very low190 Ų190148.3 Ų148.389%0.88883%0.826SS**  trans24130.6143.1-69.8175-27.500121.4
243E33.8Very low33.7Very low193 Ų193152 Ų15290%0.90283%0.828SS**  trans-56.6160.8169-96.8177.786.900116.4
244P34.6Very low33.8Very low107 Ų107154 Ų15470%0.69583%0.831SS**  trans-109.6146.217537.8-26.8000116.3
245R29.3Very low33.7Very low236 Ų236154.8 Ų154.889%0.89183%0.832SS**  trans72.4136.7138.9-74.9179.7175.2-177.60.3122.3
246Q34.8Very low33.2Very low184 Ų184152.2 Ų152.286%0.8683%0.828SS**  -169.4165.1105.7-88.9-105-9.600112.6
247P40.8Very low33.3Very low115 Ų115149.2 Ų149.275%0.74783%0.829SS**  trans-115168.9-142.242-34.9000117.2
248G27.5Very low33.7Very low78 Ų78153.5 Ų153.580%0.80483%0.833SS**  trans-157.5127.2168.200000113.5
249K36.1Very low33.3Very low201 Ų201151.7 Ų151.787%0.87483%0.834SS**  trans-66.9145.5-172.8-65.6166.8172.8172.40114.6
250K31.6Very low33.6Very low210 Ų210153.5 Ų153.591%0.91384%0.841SS**  173.9147.6108.9-91.4174.1-175.4179.60112.3
251S32.5Very low33.7Very low113 Ų113152 Ų15279%0.7984%0.842SS**  trans-81.3149-171.650.90000115.5
252S31.9Very low34.5Very low116 Ų116155 Ų15581%0.81184%0.841SS**  -178.3111.5129.450.60000115.1
253K32Very low35Very low210 Ų210154.1 Ų154.191%0.91384%0.84SS**  63.7109.4129.4-138.4164.8-174.9172.40122.8
254V36.2Very low35.2Very low129 Ų129155 Ų15578%0.78284%0.836SS**  trans-37.4143.4154.71480000118.5
255K35.3Very low35.3Very low205 Ų205155 Ų15589%0.89184%0.838SS**  160.4137.9123.1-115.5169.1177.5-1790108.6
256G31.2Very low35.7Very low71 Ų71152.9 Ų152.973%0.73284%0.835SS**  cis173.71525.100000107.8
257L38.5Very low35.9Very low177 Ų177149.4 Ų149.493%0.92783%0.831SS**  trans-60.1143.1174.4-94.869.4000112.6
258R38.5Very low35.8Very low253 Ų253155.4 Ų155.496%0.95586%0.857SS**  trans-163.3125.3130.4-111.6174.6-170.5-1121.8110.9
259G30.9Very low36.2Very low73 Ų73159.3 Ų159.375%0.75386%0.86SS**  trans-92.1171.9169.200000113.1
260S35.5Very low36.2Very low135 Ų135157.1 Ų157.194%0.94486%0.859SS**  trans142.7131.8159.3-87.60000107.9
261G34.5Very low36.5Very low77 Ų77154.1 Ų154.179%0.79486%0.856SS**  cis-166.4168900000111.8
262K45.3Very low36.7Very low182 Ų182156.5 Ų156.579%0.79186%0.86SS**  trans-59.7147.9176.2-72.4168.6170.1174.70113.1
263I44.9Very low37Very low172 Ų172159.1 Ų159.188%0.88286%0.863SS**  trans-141.4118.4141.5-48.1174000108.9
264W37Very low37.3Very low212 Ų212155.7 Ų155.780%0.80386%0.859SS**  trans-81.4147.2170.3-134.7-48000106.8
265S37.8Very low37.4Very low106 Ų106157.6 Ų157.674%0.74187%0.865SS**  162.8161.675.7-980000112.3
266K37.7Very low37.6Very low191 Ų191153.9 Ų153.983%0.8386%0.863SS**  trans-58163.9-176.5-71.4174.1164.1179.10118.2
267S37.9Very low38.1Very low111 Ų111160.8 Ų160.878%0.77687%0.874SS**  trans71.3117.3140.8-70.80000119.8
268N39.1Very low38.1Very low241 Ų241159.4 Ų159.4100%1.28987%0.869SS**  -143.90118.5-122.19.4000108.9

Retrieved 268 of 268 residues in 584.7 ms (Link to these results)