A0A087YBC6_POEFO Loading...

COP9 constitutive photomorphogenic homolog subunit 7A

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 , UniProt , Accession A0A087YBC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M49.3Very low66.4Low116 Ų11685.6 Ų85.657%0.57148%0.475SS*.  0115.90-158.2-176.7-58.500105.3A17M1-A17 HydrophobicContact SD-CB 4.36Å
2E55.9Low67.6Low138 Ų13884.6 Ų84.665%0.64548%0.478SS*.  trans-69.6135.8-178-71.2172.7159.800109E4 Q5E2-E4 PolarHBondContact O-N 3.05Å; E2-Q5 WeakPolarHBondContact O-CB 3.34Å; E2-Q5 PolarHBondContact O-N 3.45Å
3V61.7Low68.9Low68 Ų6881.8 Ų81.841%0.41247%0.472SS..Hα-helixtrans-54.4-27-177.4-175.50000111.5Q5 L6 L36V3-Q5 VanDerWaalsContact C-N 3.28Å; V3-Q5 PolarHBondContact O-N 3.05Å; V3-L6 WeakPolarHBondContact O-CB 3.42Å; V3-L6 PolarHBondContact O-N 3.14Å; V3-L36 HydrophobicContact CG1-CD1 3.91Å; V3-L36 HydrophobicContact CG1-CD2 4.45Å
4E59.8Low70Confident154 Ų15476 Ų7672%0.7244%0.438SS*.Hα-helixtrans-62.4-28.3175.5-62.1-163.9160.800114.2E2 L6 L7E2-E4 PolarHBondContact O-N 3.05Å; E4-L6 VanDerWaalsContact C-N 3.29Å; E4-L6 PolarHBondContact O-N 3.1Å; E4-L7 WeakPolarHBondContact O-CB 3.41Å; E4-L7 PolarHBondContact O-N 3.39Å
5Q64.9Low70.8Confident102 Ų10271.5 Ų71.548%0.47741%0.414SS..Hα-helixtrans-70.4-28.2177.6-67.4179.8-4.700111.7E2 V3 L7 S8E2-Q5 WeakPolarHBondContact O-CB 3.34Å; E2-Q5 PolarHBondContact O-N 3.45Å; V3-Q5 VanDerWaalsContact C-N 3.28Å; V3-Q5 PolarHBondContact O-N 3.05Å; Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.48Å; Q5-S8 PolarHBondContact O-N 2.88Å; Q5-S8 PolarHBondContact O-OG 3.43Å
6L68.5Low71.7Confident2 Ų275.7 Ų75.71%0.0143%0.429CS..Hα-helixtrans-67.1-27.3176.8-65.1168.3000112.4V3 E4 S8 L9 L14 A17 L21 I33 L36 N38V3-L6 WeakPolarHBondContact O-CB 3.42Å; V3-L6 PolarHBondContact O-N 3.14Å; E4-L6 VanDerWaalsContact C-N 3.29Å; E4-L6 PolarHBondContact O-N 3.1Å; L6-S8 PolarHBondContact O-N 2.98Å; L6-L9 PolarHBondContact O-N 3.47Å; L6-L14 HydrophobicContact CB-CD1 4.31Å; L6-L14 HydrophobicContact CD2-CD1 3.88Å; L6-A17 HydrophobicContact CD2-CB 3.52Å; L6-L21 HydrophobicContact CD1-CD2 3.93Å; L6-I33 HydrophobicContact CD1-CG2 4.13Å; L6-L36 HydrophobicContact CB-CD1 4.13Å; L6-L36 HydrophobicContact CD1-CD1 4.31Å; L6-N38 PolarHBondContact O-ND2 3.49Å
7L66.7Low72.5Confident87 Ų8771.7 Ų71.746%0.45541%0.407SS..THydrogen-bonded Turntrans-66.8-17.7176.1-67.9171.6000113.1E4 Q5 L36 N38E4-L7 WeakPolarHBondContact O-CB 3.41Å; E4-L7 PolarHBondContact O-N 3.39Å; Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.48Å; L7-L36 HydrophobicContact CD2-CD2 3.9Å; L7-N38 VanDerWaalsContact CA-ND2 3.29Å; L7-N38 WeakPolarHBondContact CA-ND2 3.37Å; L7-N38 PolarHBondContact O-ND2 2.91Å
8S71.7Confident73.3Confident96 Ų9667.8 Ų67.867%0.67139%0.385SS*.THydrogen-bonded Turntrans-96.9-10.2178.972.90000114.3Q5 L6Q5-S8 PolarHBondContact O-N 2.88Å; Q5-S8 PolarHBondContact O-OG 3.43Å; L6-S8 PolarHBondContact O-N 2.98Å
9L78.3Confident74Confident52 Ų5266.2 Ų66.227%0.27238%0.378SS..  trans-101.3145.2-173.6-61.1175.9000111.5L6 A13 L14 A17 N38L6-L9 PolarHBondContact O-N 3.47Å; L9-A13 HydrophobicContact CD2-CB 4.25Å; L9-L14 HydrophobicContact CB-CB 4.25Å; L9-L14 HydrophobicContact CB-CD1 4.27Å; L9-A17 HydrophobicContact CD1-CB 3.74Å; L9-N38 PolarHBondContact O-ND2 3.41Å
10S75.4Confident74.6Confident96 Ų9665.6 Ų65.667%0.67138%0.378SS*.  trans-139155.3178.461.50000112.3S12 A13S10-S12 PolarHBondContact O-N 3.08Å; S10-A13 PolarHBondContact O-N 2.92Å
11G78.1Confident75.2Confident31 Ų3162.9 Ų62.932%0.3236%0.362SS..THydrogen-bonded Turntrans57.8-128.6176.200000114A13 L14 A15G11-A13 VanDerWaalsContact C-N 3.3Å; G11-A13 PolarHBondContact O-N 3.34Å; G11-L14 PolarHBondContact O-N 3.15Å; G11-A15 PolarHBondContact O-N 2.88Å; G11-A15 VanDerWaalsContact O-N 3.1Å
12S81Confident77Confident73 Ų7357.3 Ų57.351%0.5134%0.335SS..Hα-helixtrans-60.7-35.9-176.2-1750000113.3S10 L14 A15 Q16 H47S10-S12 PolarHBondContact O-N 3.08Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.43Å; S12-A15 PolarHBondContact O-N 3.45Å; S12-Q16 PolarHBondContact O-N 3.13Å; S12-H47 PolarHBondContact N-NE2 3.49Å
13A84.1Confident78.5Confident48 Ų4854.8 Ų54.840%0.39732%0.323SS..Hα-helixtrans-66-38.5178.400000111.6L9 S10 G11 Q16 A17L9-A13 HydrophobicContact CD2-CB 4.25Å; S10-A13 PolarHBondContact O-N 2.92Å; G11-A13 VanDerWaalsContact C-N 3.3Å; G11-A13 PolarHBondContact O-N 3.34Å; A13-Q16 PolarHBondContact O-N 2.95Å; A13-A17 WeakPolarHBondContact O-CB 3.35Å; A13-A17 PolarHBondContact O-N 2.93Å
14L84Confident79.7Confident1 Ų153.9 Ų53.91%0.00532%0.318CS..Hα-helixtrans-67.2-41.4174.7-174.861.9000111.2L6 L9 G11 S12 Q16 A17 V18 N38 V39 L42L6-L14 HydrophobicContact CB-CD1 4.31Å; L6-L14 HydrophobicContact CD2-CD1 3.88Å; L9-L14 HydrophobicContact CB-CB 4.25Å; L9-L14 HydrophobicContact CB-CD1 4.27Å; G11-L14 PolarHBondContact O-N 3.15Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.43Å; L14-Q16 VanDerWaalsContact C-N 3.33Å; L14-Q16 PolarHBondContact O-N 3.18Å; L14-A17 PolarHBondContact O-N 3.41Å; L14-V18 WeakPolarHBondContact O-CG2 3.45Å; L14-V18 PolarHBondContact O-N 3.29Å; L14-N38 HydrophobicContact CD2-CB 3.88Å; L14-N38 WeakPolarHBondContact CD2-O 3.34Å; L14-V39 HydrophobicContact CD1-CG2 4.28Å; L14-V39 HydrophobicContact CD2-CG2 4.22Å; L14-L42 HydrophobicContact CD2-CD1 3.63Å; L14-L42 HydrophobicContact CD2-CD2 4.12Å; L14-L42 HydrophobicContact CD2-CG 3.85Å; L14-L42 HydrophobicContact CG-CD1 3.87Å
15A83.1Confident80.8Confident9 Ų951.9 Ų51.97%0.07432%0.318CS..Hα-helixtrans-61.2-40176.700000112.6G11 S12 S19 H47 M50G11-A15 PolarHBondContact O-N 2.88Å; G11-A15 VanDerWaalsContact O-N 3.1Å; S12-A15 PolarHBondContact O-N 3.45Å; A15-S19 PolarHBondContact O-N 3.26Å; A15-H47 HydrophobicContact CB-CB 4.48Å; A15-M50 HydrophobicContact CB-CG 4.2Å
16Q84.8Confident81.6Confident138 Ų13849.8 Ų49.865%0.64533%0.325SS*.Hα-helixtrans-69.3-38.1174.2-71.1-158-23.800113S12 A13 L14 S19 S20S12-Q16 PolarHBondContact O-N 3.13Å; A13-Q16 PolarHBondContact O-N 2.95Å; L14-Q16 VanDerWaalsContact C-N 3.33Å; L14-Q16 PolarHBondContact O-N 3.18Å; Q16-S19 PolarHBondContact O-N 3.45Å; Q16-S20 PolarHBondContact O-N 2.93Å; Q16-S20 PolarHBondContact O-OG 3.35Å
17A85.6Confident82.5Confident8 Ų851.9 Ų51.97%0.06634%0.336CS..Hα-helixtrans-63.1-43.2174.700000111.4M1 L6 L9 A13 L14 S20 L21M1-A17 HydrophobicContact SD-CB 4.36Å; L6-A17 HydrophobicContact CD2-CB 3.52Å; L9-A17 HydrophobicContact CD1-CB 3.74Å; A13-A17 WeakPolarHBondContact O-CB 3.35Å; A13-A17 PolarHBondContact O-N 2.93Å; L14-A17 PolarHBondContact O-N 3.41Å; A17-S20 WeakPolarHBondContact O-CB 3.48Å; A17-S20 PolarHBondContact O-N 3.36Å; A17-L21 WeakPolarHBondContact O-CB 3.35Å; A17-L21 PolarHBondContact O-N 3.43Å
18V86.3Confident83.4Confident2 Ų248.7 Ų48.71%0.01232%0.318CS..Hα-helixtrans-60-46.8173.7171.80000110.7L14 S20 L21 L22 M50 L54L14-V18 WeakPolarHBondContact O-CG2 3.45Å; L14-V18 PolarHBondContact O-N 3.29Å; V18-S20 VanDerWaalsContact C-N 3.27Å; V18-S20 PolarHBondContact O-N 2.94Å; V18-L21 WeakPolarHBondContact O-CB 3.47Å; V18-L21 PolarHBondContact O-N 3.22Å; V18-L21 VanDerWaalsContact O-N 3.09Å; V18-L22 HydrophobicContact CG1-CD1 4.47Å; V18-L22 HydrophobicContact CG1-CG 4.44Å; V18-L22 WeakPolarHBondContact O-CG 3.26Å; V18-L22 PolarHBondContact O-N 3.04Å; V18-M50 HydrophobicContact CB-CG 4.21Å; V18-M50 HydrophobicContact CB-SD 4.4Å; V18-M50 HydrophobicContact CG1-CG 3.97Å; V18-M50 HydrophobicContact CG1-SD 3.91Å; V18-L54 HydrophobicContact CG1-CB 4.3Å; V18-L54 HydrophobicContact CG1-CD1 4.35Å; V18-L54 HydrophobicContact CG1-CD2 4.39Å
19S86.2Confident84.2Confident36 Ų3647.1 Ų47.125%0.25230%0.303SS..Hα-helixtrans-57.4-41.1176-171.80000112.6A15 Q16 L21 L22 E23 Q79A15-S19 PolarHBondContact O-N 3.26Å; Q16-S19 PolarHBondContact O-N 3.45Å; S19-L21 VanDerWaalsContact C-N 3.34Å; S19-L22 PolarHBondContact O-N 3.45Å; S19-E23 PolarHBondContact O-N 3.48Å; S19-Q79 PolarHBondContact O-NE2 2.8Å; S19-Q79 PolarHBondContact OG-NE2 3.22Å; S19-Q79 VanDerWaalsContact OG-NE2 3.11Å
20S86.9Confident84.7Confident54 Ų5444.6 Ų44.638%0.37829%0.291SS..Hα-helixtrans-69.3-33.8177.9-54.10000112Q16 A17 V18 E23 T24Q16-S20 PolarHBondContact O-N 2.93Å; Q16-S20 PolarHBondContact O-OG 3.35Å; A17-S20 WeakPolarHBondContact O-CB 3.48Å; A17-S20 PolarHBondContact O-N 3.36Å; V18-S20 VanDerWaalsContact C-N 3.27Å; V18-S20 PolarHBondContact O-N 2.94Å; S20-E23 PolarHBondContact O-N 3.25Å; S20-T24 PolarHBondContact O-N 3.43Å; S20-T24 PolarHBondContact O-OG1 3.1Å
21L87.1Confident85.2Confident9 Ų940.7 Ų40.75%0.04726%0.263CS..Hα-helixtrans-68.7-40.1176.2-166.567.4000111.5L6 A17 V18 S19 E23 T24 L27 I33L6-L21 HydrophobicContact CD1-CD2 3.93Å; A17-L21 WeakPolarHBondContact O-CB 3.35Å; A17-L21 PolarHBondContact O-N 3.43Å; V18-L21 WeakPolarHBondContact O-CB 3.47Å; V18-L21 PolarHBondContact O-N 3.22Å; V18-L21 VanDerWaalsContact O-N 3.09Å; S19-L21 VanDerWaalsContact C-N 3.34Å; L21-E23 PolarHBondContact O-N 2.92Å; L21-T24 WeakPolarHBondContact O-CB 3.35Å; L21-T24 PolarHBondContact O-N 2.91Å; L21-L27 HydrophobicContact CD1-CD2 3.31Å; L21-L27 HydrophobicContact CD2-CD2 4.28Å; L21-L27 HydrophobicContact CG-CD2 3.42Å; L21-L27 VanDerWaalsContact CG-CD2 3.42Å; L21-I33 HydrophobicContact CD2-CB 4.36Å; L21-I33 HydrophobicContact CD2-CD1 3.4Å; L21-I33 VanDerWaalsContact CD2-CD1 3.4Å; L21-I33 HydrophobicContact CD2-CG1 3.84Å; L21-I33 HydrophobicContact CD2-CG2 3.76Å; L21-I33 HydrophobicContact CG-CD1 4.2Å
22L87.8Confident85.5Confident0 Ų044.5 Ų44.50%028%0.276CS..Hα-helixtrans-60.2-32.2172.5-65.9-179.8000111.4V18 S19 F30 L53 L54 F57 Q79 K82V18-L22 HydrophobicContact CG1-CD1 4.47Å; V18-L22 HydrophobicContact CG1-CG 4.44Å; V18-L22 WeakPolarHBondContact O-CG 3.26Å; V18-L22 PolarHBondContact O-N 3.04Å; S19-L22 PolarHBondContact O-N 3.45Å; L22-F30 HydrophobicContact CD2-CD1 4.24Å; L22-F30 HydrophobicContact CD2-CE1 3.76Å; L22-F30 HydrophobicContact CD2-CZ 4.07Å; L22-L53 HydrophobicContact CD1-CD2 3.88Å; L22-L53 HydrophobicContact CD1-CG 4.12Å; L22-L54 HydrophobicContact CD2-CD1 3.96Å; L22-F57 HydrophobicContact CD1-CD2 4.35Å; L22-F57 HydrophobicContact CD1-CE2 4.25Å; L22-F57 HydrophobicContact CD2-CB 3.97Å; L22-F57 HydrophobicContact CD2-CD1 3.78Å; L22-F57 HydrophobicContact CD2-CD2 4.07Å; L22-F57 HydrophobicContact CD2-CE1 4.26Å; L22-F57 HydrophobicContact CD2-CG 3.66Å; L22-Q79 HydrophobicContact CB-CG 4.08Å; L22-K82 WeakPolarHBondContact O-CD 3.3Å; L22-K82 WeakPolarHBondContact O-CE 3.39Å; L22-K82 PolarHBondContact O-NZ 2.91Å
23E87.6Confident85.7Confident84 Ų8441.3 Ų41.339%0.39325%0.253SS..Hα-helixtrans-81.7-11.9175.9-72.9-176.2169.300114.6S19 S20 L21 P25 T76 A78 Q79S19-E23 PolarHBondContact O-N 3.48Å; S20-E23 PolarHBondContact O-N 3.25Å; L21-E23 PolarHBondContact O-N 2.92Å; E23-P25 WeakPolarHBondContact O-CD 3.47Å; E23-T76 VanDerWaalsContact OE1-CB 3.31Å; E23-T76 WeakPolarHBondContact OE1-CB 3.46Å; E23-T76 WeakPolarHBondContact OE1-CG2 3.38Å; E23-T76 PolarHBondContact OE1-OG1 3.44Å; E23-A78 HydrophobicContact CG-CB 4.47Å; E23-Q79 HydrophobicContact CG-CG 3.49Å; E23-Q79 VanDerWaalsContact CG-CG 3.49Å
24T86.6Confident85.8Confident49 Ų4939.6 Ų39.630%0.30124%0.238SC..  trans-67.6121.6-175.3-61.50000110.4S20 L21 L27 K82S20-T24 PolarHBondContact O-N 3.43Å; S20-T24 PolarHBondContact O-OG1 3.1Å; L21-T24 WeakPolarHBondContact O-CB 3.35Å; L21-T24 PolarHBondContact O-N 2.91Å; T24-L27 HydrophobicContact CG2-CB 4.39Å; T24-K82 PolarHBondContact O-NZ 2.97Å
25P82.8Confident85.9Confident112 Ų11245.3 Ų45.373%0.72726%0.264SS*.THydrogen-bonded Turntrans-68.1145.4178.328.9-34.3000110.4E23 L27E23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-L27 PolarHBondContact O-N 2.93Å
26G81.9Confident86.1Confident59 Ų5946.1 Ų46.161%0.60827%0.267SS*.THydrogen-bonded Turntrans81.6-13.4-179.900000115.5Y28G26-Y28 PolarHBondContact O-N 3.37Å
27L86.7Confident86.1Confident46 Ų4643.2 Ų43.224%0.24126%0.26CS..  trans-90.1100.9174.9-178.867.9000110.9L21 T24 P25 V29 F30 I33 K82L21-L27 HydrophobicContact CD1-CD2 3.31Å; L21-L27 HydrophobicContact CD2-CD2 4.28Å; L21-L27 HydrophobicContact CG-CD2 3.42Å; L21-L27 VanDerWaalsContact CG-CD2 3.42Å; T24-L27 HydrophobicContact CG2-CB 4.39Å; P25-L27 PolarHBondContact O-N 2.93Å; L27-V29 WeakPolarHBondContact CD1-O 3.42Å; L27-F30 HydrophobicContact CD2-CD1 4.47Å; L27-F30 HydrophobicContact CD2-CE1 3.95Å; L27-F30 HydrophobicContact CG-CE1 4.07Å; L27-F30 HydrophobicContact CG-CZ 4.46Å; L27-F30 WeakPolarHBondContact O-CZ 3.45Å; L27-I33 HydrophobicContact CD2-CD1 4.17Å; L27-K82 WeakPolarHBondContact O-CE 3.26Å; L27-K82 PolarHBondContact O-NZ 2.94Å
28Y86.4Confident86Confident20 Ų2044.5 Ų44.58%0.07827%0.266CS..  trans-115.45.4179.2-68.4-84000113.7G26 K82 H85 L86 I127G26-Y28 PolarHBondContact O-N 3.37Å; Y28-K82 HydrophobicContact CD1-CG 4.22Å; Y28-K82 HydrophobicContact CE1-CD 4.47Å; Y28-K82 HydrophobicContact CE1-CG 3.61Å; Y28-H85 HydrophobicContact CE1-CB 4.16Å; Y28-L86 HydrophobicContact CD1-CD2 3.76Å; Y28-L86 HydrophobicContact CD1-CG 4.05Å; Y28-L86 HydrophobicContact CG-CD2 4.46Å; Y28-I127 HydrophobicContact CD2-CG1 4.35Å; Y28-I127 HydrophobicContact CE1-CD1 3.76Å; Y28-I127 HydrophobicContact CE1-CG1 4.49Å; Y28-I127 HydrophobicContact CE2-CD1 3.67Å; Y28-I127 HydrophobicContact CE2-CG1 3.74Å; Y28-I127 WeakPolarHBondContact OH-CD1 3.46Å
29V87.6Confident85.9Confident62 Ų6244.5 Ų44.538%0.37627%0.266SS..  trans-116.9123.9-179.9-178.50000107.7L27 D148L27-V29 WeakPolarHBondContact CD1-O 3.42Å; V29-D148 WeakPolarHBondContact CG1-OD1 3.36Å
30F88.6Confident85.9Confident0 Ų049.1 Ų49.10%028%0.278CS..  trans-126.7-9.4-172.6-60.7-76.8000113.7L22 L27 D32 I33 L34 L54 F57 A58 L86 D148L22-F30 HydrophobicContact CD2-CD1 4.24Å; L22-F30 HydrophobicContact CD2-CE1 3.76Å; L22-F30 HydrophobicContact CD2-CZ 4.07Å; L27-F30 HydrophobicContact CD2-CD1 4.47Å; L27-F30 HydrophobicContact CD2-CE1 3.95Å; L27-F30 HydrophobicContact CG-CE1 4.07Å; L27-F30 HydrophobicContact CG-CZ 4.46Å; L27-F30 WeakPolarHBondContact O-CZ 3.45Å; F30-D32 VanDerWaalsContact C-N 3.34Å; F30-D32 PolarHBondContact O-N 3.27Å; F30-I33 HydrophobicContact CD1-CD1 4.07Å; F30-I33 WeakPolarHBondContact O-CB 3.3Å; F30-I33 PolarHBondContact O-N 3.33Å; F30-I33 VanDerWaalsContact O-N 3.1Å; F30-L34 PolarHBondContact O-N 2.75Å; F30-L54 HydrophobicContact CB-CD1 3.98Å; F30-L54 HydrophobicContact CD1-CD1 3.79Å; F30-L54 HydrophobicContact CG-CD1 4.11Å; F30-F57 HydrophobicContact CD2-CB 3.99Å; F30-F57 HydrophobicContact CE2-CB 4.03Å; F30-F57 HydrophobicContact CE2-CD1 4.17Å; F30-F57 HydrophobicContact CG-CB 4.49Å; F30-F57 HydrophobicContact CZ-CD1 4.27Å; F30-A58 HydrophobicContact CB-CB 4.14Å; F30-L86 HydrophobicContact CE2-CD1 4.12Å; F30-D148 PolarHBondContact N-OD1 3.44Å; F30-D148 PolarHBondContact N-OD2 2.94Å
31S85.3Confident85.7Confident14 Ų1453 Ų5310%0.09829%0.29CS..Hα-helixtrans-56.4-46.2179.3-76.10000112.2I33 L34 E35 Y59 D148S31-I33 PolarHBondContact O-N 3.17Å; S31-L34 WeakPolarHBondContact O-CB 2.92Å; S31-L34 PolarHBondContact O-N 2.95Å; S31-E35 WeakPolarHBondContact O-CG 3.36Å; S31-E35 PolarHBondContact O-N 3.47Å; S31-Y59 PolarHBondContact OG-OH 2.9Å; S31-Y59 VanDerWaalsContact OG-OH 3.13Å; S31-D148 VanDerWaalsContact CB-OD1 3.27Å; S31-D148 WeakPolarHBondContact CB-OD1 3.36Å; S31-D148 PolarHBondContact N-OD1 2.82Å; S31-D148 VanDerWaalsContact OG-CB 3.27Å; S31-D148 WeakPolarHBondContact OG-CB 3.5Å; S31-D148 PolarHBondContact OG-OD1 2.92Å; S31-D148 VanDerWaalsContact OG-OD1 3.05Å
32D85.1Confident85.5Confident111 Ų11153.1 Ų53.159%0.59429%0.291SS*.Hα-helixtrans-59.2-35.4179.2-63.8-20.1000112F30F30-D32 VanDerWaalsContact C-N 3.34Å; F30-D32 PolarHBondContact O-N 3.27Å
33I86.1Confident85.3Confident5 Ų557.9 Ų57.93%0.02631%0.313CS..Hα-helixtrans-75.5-36.5179-61.6141.9000110.4L6 L21 L27 F30 S31 E35 L36 V39 L54L6-I33 HydrophobicContact CD1-CG2 4.13Å; L21-I33 HydrophobicContact CD2-CB 4.36Å; L21-I33 HydrophobicContact CD2-CD1 3.4Å; L21-I33 VanDerWaalsContact CD2-CD1 3.4Å; L21-I33 HydrophobicContact CD2-CG1 3.84Å; L21-I33 HydrophobicContact CD2-CG2 3.76Å; L21-I33 HydrophobicContact CG-CD1 4.2Å; L27-I33 HydrophobicContact CD2-CD1 4.17Å; F30-I33 HydrophobicContact CD1-CD1 4.07Å; F30-I33 WeakPolarHBondContact O-CB 3.3Å; F30-I33 PolarHBondContact O-N 3.33Å; F30-I33 VanDerWaalsContact O-N 3.1Å; S31-I33 PolarHBondContact O-N 3.17Å; I33-E35 VanDerWaalsContact C-N 3.28Å; I33-E35 PolarHBondContact O-N 3.44Å; I33-L36 HydrophobicContact CG2-CD1 4.44Å; I33-L36 WeakPolarHBondContact O-CB 3.4Å; I33-L36 WeakPolarHBondContact O-CG 3.46Å; I33-L36 PolarHBondContact O-N 2.94Å; I33-V39 HydrophobicContact CG2-CG2 4.39Å; I33-V39 WeakPolarHBondContact O-CB 3.3Å; I33-V39 WeakPolarHBondContact O-CG2 3.45Å; I33-L54 HydrophobicContact CG2-CD2 4Å
34L85.9Confident85.1Confident13 Ų1361 Ų617%0.06833%0.332CS..Hα-helixtrans-68.4-28.2177.3-162.974.6000112.3F30 S31 L36 R40 Y51 L54 N55 Y59F30-L34 PolarHBondContact O-N 2.75Å; S31-L34 WeakPolarHBondContact O-CB 2.92Å; S31-L34 PolarHBondContact O-N 2.95Å; L34-L36 VanDerWaalsContact C-N 3.3Å; L34-R40 WeakPolarHBondContact O-CG 3.4Å; L34-Y51 HydrophobicContact CD1-CD2 3.99Å; L34-Y51 HydrophobicContact CD1-CE2 3.42Å; L34-Y51 VanDerWaalsContact CD1-CE2 3.42Å; L34-Y51 HydrophobicContact CG-CE2 4.14Å; L34-L54 HydrophobicContact CD1-CB 4.42Å; L34-L54 HydrophobicContact CD1-CD2 3.9Å; L34-L54 HydrophobicContact CD1-CG 4.01Å; L34-N55 HydrophobicContact CD1-CB 4.39Å; L34-Y59 HydrophobicContact CD2-CE2 3.71Å
35E85.8Confident84.8Confident121 Ų12159.9 Ų59.957%0.56533%0.33SS*.THydrogen-bonded Turntrans-76.9-14.1177.3-72.5-173.3-178.700113.9S31 I33S31-E35 WeakPolarHBondContact O-CG 3.36Å; S31-E35 PolarHBondContact O-N 3.47Å; I33-E35 VanDerWaalsContact C-N 3.28Å; I33-E35 PolarHBondContact O-N 3.44Å
36L86.9Confident84.8Confident26 Ų2660.5 Ų60.514%0.13633%0.334CS..SBendtrans-63.2135178.4-60176000111.1V3 L6 L7 I33 L34 N38 V39 R40V3-L36 HydrophobicContact CG1-CD1 3.91Å; V3-L36 HydrophobicContact CG1-CD2 4.45Å; L6-L36 HydrophobicContact CB-CD1 4.13Å; L6-L36 HydrophobicContact CD1-CD1 4.31Å; L7-L36 HydrophobicContact CD2-CD2 3.9Å; I33-L36 HydrophobicContact CG2-CD1 4.44Å; I33-L36 WeakPolarHBondContact O-CB 3.4Å; I33-L36 WeakPolarHBondContact O-CG 3.46Å; I33-L36 PolarHBondContact O-N 2.94Å; L34-L36 VanDerWaalsContact C-N 3.3Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.32Å; L36-V39 HydrophobicContact CB-CB 4.29Å; L36-V39 HydrophobicContact CB-CG2 4.05Å; L36-V39 HydrophobicContact CD1-CG2 4.39Å; L36-V39 PolarHBondContact O-N 2.98Å; L36-R40 PolarHBondContact O-N 2.96Å
37P84.7Confident84.8Confident76 Ų7660.3 Ų60.349%0.49432%0.318SS..Hα-helixtrans-59.6-42.5-176.322-32.3000112.3V39 R40 E41P37-V39 PolarHBondContact O-N 3.31Å; P37-R40 PolarHBondContact O-N 3.43Å; P37-E41 WeakPolarHBondContact O-CG 3.4Å; P37-E41 PolarHBondContact O-N 2.97Å
38N84.4Confident84.8Confident36 Ų3659 Ų5919%0.19331%0.314CS..Hα-helixtrans-60.8-33.6178.5-58.34.4000112.6L6 L7 L9 L14 L36L6-N38 PolarHBondContact O-ND2 3.49Å; L7-N38 VanDerWaalsContact CA-ND2 3.29Å; L7-N38 WeakPolarHBondContact CA-ND2 3.37Å; L7-N38 PolarHBondContact O-ND2 2.91Å; L9-N38 PolarHBondContact O-ND2 3.41Å; L14-N38 HydrophobicContact CD2-CB 3.88Å; L14-N38 WeakPolarHBondContact CD2-O 3.34Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.32Å
39V84.5Confident84.9Confident1 Ų160.5 Ų60.51%0.00633%0.326CS..Hα-helixtrans-77.5-38.8179.4177.20000110.1L14 I33 L36 P37 E41 L42 Y51 L54L14-V39 HydrophobicContact CD1-CG2 4.28Å; L14-V39 HydrophobicContact CD2-CG2 4.22Å; I33-V39 HydrophobicContact CG2-CG2 4.39Å; I33-V39 WeakPolarHBondContact O-CB 3.3Å; I33-V39 WeakPolarHBondContact O-CG2 3.45Å; L36-V39 HydrophobicContact CB-CB 4.29Å; L36-V39 HydrophobicContact CB-CG2 4.05Å; L36-V39 HydrophobicContact CD1-CG2 4.39Å; L36-V39 PolarHBondContact O-N 2.98Å; P37-V39 PolarHBondContact O-N 3.31Å; V39-E41 VanDerWaalsContact C-N 3.29Å; V39-E41 PolarHBondContact O-N 3.5Å; V39-L42 VanDerWaalsContact O-CB 3.28Å; V39-L42 WeakPolarHBondContact O-CB 3.46Å; V39-L42 PolarHBondContact O-N 3.32Å; V39-L42 VanDerWaalsContact O-N 3.1Å; V39-Y51 HydrophobicContact CG1-CD2 3.94Å; V39-Y51 HydrophobicContact CG1-CE2 4.19Å; V39-Y51 WeakPolarHBondContact O-CD2 3.35Å; V39-L54 HydrophobicContact CG1-CD2 3.67Å
40R84.9Confident84.8Confident133 Ų13358.8 Ų58.850%0.50231%0.314SS..Hα-helixtrans-62.7-33.7172.5-73.2-167.3175-176.72.1113.2L34 L36 P37 L42 E43L34-R40 WeakPolarHBondContact O-CG 3.4Å; L36-R40 PolarHBondContact O-N 2.96Å; P37-R40 PolarHBondContact O-N 3.43Å; R40-L42 PolarHBondContact O-N 2.97Å; R40-E43 WeakPolarHBondContact O-CB 3.33Å; R40-E43 PolarHBondContact O-N 3.37Å; R40-E43 VanDerWaalsContact O-N 3.12Å
41E84.3Confident84.8Confident137 Ų13759.9 Ų59.964%0.6432%0.318SS*.Hα-helixtrans-62.2-27174.5-73.5179.8-176.600112.8P37 V39 E43 N44P37-E41 WeakPolarHBondContact O-CG 3.4Å; P37-E41 PolarHBondContact O-N 2.97Å; V39-E41 VanDerWaalsContact C-N 3.29Å; V39-E41 PolarHBondContact O-N 3.5Å; E41-E43 PolarHBondContact O-N 2.92Å; E41-N44 PolarHBondContact O-N 2.88Å
42L82.5Confident85Confident11 Ų1163.5 Ų63.56%0.05833%0.334CS..G310 helixtrans-66.4-24.5176.3-60.9178.6000112.9L14 V39 R40 N44 G45 H47 A48L14-L42 HydrophobicContact CD2-CD1 3.63Å; L14-L42 HydrophobicContact CD2-CD2 4.12Å; L14-L42 HydrophobicContact CD2-CG 3.85Å; L14-L42 HydrophobicContact CG-CD1 3.87Å; V39-L42 VanDerWaalsContact O-CB 3.28Å; V39-L42 WeakPolarHBondContact O-CB 3.46Å; V39-L42 PolarHBondContact O-N 3.32Å; V39-L42 VanDerWaalsContact O-N 3.1Å; R40-L42 PolarHBondContact O-N 2.97Å; L42-N44 VanDerWaalsContact C-N 3.27Å; L42-N44 PolarHBondContact O-N 3.14Å; L42-G45 PolarHBondContact O-N 3.26Å; L42-G45 VanDerWaalsContact O-N 3.15Å; L42-H47 HydrophobicContact CD2-CB 4.12Å; L42-A48 VanDerWaalsContact O-CA 3.24Å; L42-A48 WeakPolarHBondContact O-CA 3.45Å; L42-A48 PolarHBondContact O-N 3.47Å
43E83.7Confident85.2Confident99 Ų9958.3 Ų58.346%0.46331%0.306SS..G310 helixtrans-58.4-39.5-179.8-174.7172.3-152.400112.1R40 E41 A48 Y51R40-E43 WeakPolarHBondContact O-CB 3.33Å; R40-E43 PolarHBondContact O-N 3.37Å; R40-E43 VanDerWaalsContact O-N 3.12Å; E41-E43 PolarHBondContact O-N 2.92Å; E43-A48 VanDerWaalsContact O-CB 3.27Å; E43-A48 WeakPolarHBondContact O-CB 3.41Å; E43-Y51 HydrophobicContact CB-CD1 3.62Å; E43-Y51 HydrophobicContact CB-CD2 4.37Å; E43-Y51 HydrophobicContact CB-CE1 3.68Å; E43-Y51 HydrophobicContact CB-CE2 4.42Å; E43-Y51 HydrophobicContact CB-CG 3.97Å; E43-Y51 VanDerWaalsContact CD-CE1 3.42Å; E43-Y51 HydrophobicContact CG-CD1 3.68Å; E43-Y51 HydrophobicContact CG-CE1 3.55Å
44N82.3Confident85.4Confident149 Ų14958.1 Ų58.180%0.79731%0.305SS*.G310 helixtrans-97.13.9-178.8-62.4-59.1000112.9E41 L42E41-N44 PolarHBondContact O-N 2.88Å; L42-N44 VanDerWaalsContact C-N 3.27Å; L42-N44 PolarHBondContact O-N 3.14Å
45G81.8Confident85.6Confident26 Ų2660.7 Ų60.727%0.26832%0.318SS..SBendtrans-100.3-179.6-172.500000114.5L42 H47 A48L42-G45 PolarHBondContact O-N 3.26Å; L42-G45 VanDerWaalsContact O-N 3.15Å; G45-H47 PolarHBondContact O-N 3.32Å; G45-H47 VanDerWaalsContact O-N 3.11Å; G45-A48 WeakPolarHBondContact O-CB 3.43Å; G45-A48 PolarHBondContact O-N 3.11Å; G45-A48 VanDerWaalsContact O-N 3.14Å
46P81.1Confident85.9Confident125 Ų12555 Ų5581%0.81229%0.292SS*.THydrogen-bonded Turntrans-63.8-14.717427.3-35000113.4
47H83.7Confident86.1Confident56 Ų5653.8 Ų53.826%0.25929%0.286SS..THydrogen-bonded Turntrans-102.519.1178-59.5-64.7000113.1S12 A15 L42 G45 P49 M50 Y51S12-H47 PolarHBondContact N-NE2 3.49Å; A15-H47 HydrophobicContact CB-CB 4.48Å; L42-H47 HydrophobicContact CD2-CB 4.12Å; G45-H47 PolarHBondContact O-N 3.32Å; G45-H47 VanDerWaalsContact O-N 3.11Å; H47-P49 VanDerWaalsContact C-N 3.26Å; H47-P49 VanDerWaalsContact O-N 3.17Å; H47-M50 WeakPolarHBondContact O-CB 3.41Å; H47-M50 PolarHBondContact O-N 3.42Å; H47-Y51 PolarHBondContact O-N 3.01Å
48A85.2Confident86.3Confident19 Ų1950.2 Ų50.216%0.15726%0.262CS..Hα-helixtrans-48.7-37.7175.500000114.5L42 E43 G45 M50 Y51 Q52L42-A48 VanDerWaalsContact O-CA 3.24Å; L42-A48 WeakPolarHBondContact O-CA 3.45Å; L42-A48 PolarHBondContact O-N 3.47Å; E43-A48 VanDerWaalsContact O-CB 3.27Å; E43-A48 WeakPolarHBondContact O-CB 3.41Å; G45-A48 WeakPolarHBondContact O-CB 3.43Å; G45-A48 PolarHBondContact O-N 3.11Å; G45-A48 VanDerWaalsContact O-N 3.14Å; A48-M50 PolarHBondContact O-N 2.91Å; A48-Y51 PolarHBondContact O-N 3.44Å; A48-Y51 VanDerWaalsContact O-N 3.16Å; A48-Q52 WeakPolarHBondContact O-CG 3.35Å; A48-Q52 PolarHBondContact O-N 2.89Å
49P88.3Confident86.5Confident51 Ų5151.7 Ų51.733%0.33127%0.266SS..Hα-helixtrans-59.6-31.1174.8-27.537.3000114.3H47 L53 P73H47-P49 VanDerWaalsContact C-N 3.26Å; H47-P49 VanDerWaalsContact O-N 3.17Å; P49-L53 WeakPolarHBondContact O-CB 3.47Å; P49-L53 PolarHBondContact O-N 2.7Å; P49-P73 HydrophobicContact CB-CG 4.2Å
50M86.8Confident86.8Confident26 Ų2652 Ų5213%0.12827%0.269CS..Hα-helixtrans-73.2-38.7177-174.460.370.800111.4A15 V18 H47 A48 L53 L54 P73A15-M50 HydrophobicContact CB-CG 4.2Å; V18-M50 HydrophobicContact CB-CG 4.21Å; V18-M50 HydrophobicContact CB-SD 4.4Å; V18-M50 HydrophobicContact CG1-CG 3.97Å; V18-M50 HydrophobicContact CG1-SD 3.91Å; H47-M50 WeakPolarHBondContact O-CB 3.41Å; H47-M50 PolarHBondContact O-N 3.42Å; A48-M50 PolarHBondContact O-N 2.91Å; M50-L53 WeakPolarHBondContact O-CB 3.42Å; M50-L53 PolarHBondContact O-N 2.98Å; M50-L53 HydrophobicContact SD-CD2 4.2Å; M50-L54 PolarHBondContact O-N 2.91Å; M50-P73 HydrophobicContact CE-CG 4.4Å
51Y88.1Confident87.1Confident22 Ų2247.2 Ų47.29%0.08626%0.255CS..Hα-helixtrans-63.9-44.3173.4178.9-96.5000111.3L34 V39 E43 H47 A48 L53 L54 N55L34-Y51 HydrophobicContact CD1-CD2 3.99Å; L34-Y51 HydrophobicContact CD1-CE2 3.42Å; L34-Y51 VanDerWaalsContact CD1-CE2 3.42Å; L34-Y51 HydrophobicContact CG-CE2 4.14Å; V39-Y51 HydrophobicContact CG1-CD2 3.94Å; V39-Y51 HydrophobicContact CG1-CE2 4.19Å; V39-Y51 WeakPolarHBondContact O-CD2 3.35Å; E43-Y51 HydrophobicContact CB-CD1 3.62Å; E43-Y51 HydrophobicContact CB-CD2 4.37Å; E43-Y51 HydrophobicContact CB-CE1 3.68Å; E43-Y51 HydrophobicContact CB-CE2 4.42Å; E43-Y51 HydrophobicContact CB-CG 3.97Å; E43-Y51 VanDerWaalsContact CD-CE1 3.42Å; E43-Y51 HydrophobicContact CG-CD1 3.68Å; E43-Y51 HydrophobicContact CG-CE1 3.55Å; H47-Y51 PolarHBondContact O-N 3.01Å; A48-Y51 PolarHBondContact O-N 3.44Å; A48-Y51 VanDerWaalsContact O-N 3.16Å; Y51-L53 VanDerWaalsContact C-N 3.27Å; Y51-L53 PolarHBondContact O-N 3.26Å; Y51-L54 PolarHBondContact O-N 3.29Å; Y51-L54 VanDerWaalsContact O-N 3.17Å; Y51-N55 WeakPolarHBondContact O-CB 3.42Å; Y51-N55 PolarHBondContact O-N 2.84Å
52Q88.6Confident87.4Confident91 Ų9141.1 Ų41.143%0.42523%0.226SC..Hα-helixtrans-61.3-37.1174.9-69.3175.87.500112A48 N55 L56 L72A48-Q52 WeakPolarHBondContact O-CG 3.35Å; A48-Q52 PolarHBondContact O-N 2.89Å; Q52-N55 PolarHBondContact O-N 3.1Å; Q52-L56 WeakPolarHBondContact O-CB 3.37Å; Q52-L56 PolarHBondContact O-N 2.69Å; Q52-L72 HydrophobicContact CB-CD2 3.75Å
53L90.4Very high87.8Confident2 Ų242.1 Ų42.11%0.0123%0.233CC..Hα-helixtrans-64.3-45.4173.7-172.264000111.4L22 P49 M50 Y51 N55 L56 F57 Y65 L72 P73 L75L22-L53 HydrophobicContact CD1-CD2 3.88Å; L22-L53 HydrophobicContact CD1-CG 4.12Å; P49-L53 WeakPolarHBondContact O-CB 3.47Å; P49-L53 PolarHBondContact O-N 2.7Å; M50-L53 WeakPolarHBondContact O-CB 3.42Å; M50-L53 PolarHBondContact O-N 2.98Å; M50-L53 HydrophobicContact SD-CD2 4.2Å; Y51-L53 VanDerWaalsContact C-N 3.27Å; Y51-L53 PolarHBondContact O-N 3.26Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-N55 PolarHBondContact O-N 3.46Å; L53-L56 HydrophobicContact CD1-CD2 4.3Å; L53-L56 VanDerWaalsContact O-CB 3.22Å; L53-L56 WeakPolarHBondContact O-CB 3.16Å; L53-L56 PolarHBondContact O-N 3.4Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L53-F57 HydrophobicContact CD1-CD2 4.31Å; L53-F57 HydrophobicContact CD1-CE2 3.96Å; L53-F57 HydrophobicContact CG-CD2 4.31Å; L53-F57 HydrophobicContact CG-CE2 4.15Å; L53-F57 VanDerWaalsContact O-CD2 3.32Å; L53-F57 WeakPolarHBondContact O-CD2 3.42Å; L53-F57 PolarHBondContact O-N 3.48Å; L53-Y65 HydrophobicContact CD1-CD2 4.23Å; L53-Y65 HydrophobicContact CD1-CE2 4.24Å; L53-L72 HydrophobicContact CB-CD2 4.39Å; L53-L72 HydrophobicContact CD1-CD1 4.42Å; L53-P73 HydrophobicContact CD2-CB 4.44Å; L53-P73 HydrophobicContact CD2-CG 4.35Å; L53-L75 HydrophobicContact CD1-CD2 3.89Å; L53-L75 HydrophobicContact CD2-CD2 3.85Å; L53-L75 HydrophobicContact CG-CD2 4.36Å
54L90.1Very high88.1Confident0 Ų039.5 Ų39.50%022%0.223CC..Hα-helixtrans-61.6-43.3176.1-177.663.1000111.7V18 L22 F30 I33 L34 V39 M50 Y51 L56 F57 A58V18-L54 HydrophobicContact CG1-CB 4.3Å; V18-L54 HydrophobicContact CG1-CD1 4.35Å; V18-L54 HydrophobicContact CG1-CD2 4.39Å; L22-L54 HydrophobicContact CD2-CD1 3.96Å; F30-L54 HydrophobicContact CB-CD1 3.98Å; F30-L54 HydrophobicContact CD1-CD1 3.79Å; F30-L54 HydrophobicContact CG-CD1 4.11Å; I33-L54 HydrophobicContact CG2-CD2 4Å; L34-L54 HydrophobicContact CD1-CB 4.42Å; L34-L54 HydrophobicContact CD1-CD2 3.9Å; L34-L54 HydrophobicContact CD1-CG 4.01Å; V39-L54 HydrophobicContact CG1-CD2 3.67Å; M50-L54 PolarHBondContact O-N 2.91Å; Y51-L54 PolarHBondContact O-N 3.29Å; Y51-L54 VanDerWaalsContact O-N 3.17Å; L54-L56 PolarHBondContact O-N 2.78Å; L54-F57 PolarHBondContact O-N 3.4Å; L54-A58 PolarHBondContact O-N 2.98Å
55N89.8Confident88.5Confident67 Ų6733.2 Ų33.236%0.35819%0.188SC..Hα-helixtrans-60.6-34.8175.4-169.752.4000112.1L34 Y51 Q52 L53 A58 Y59L34-N55 HydrophobicContact CD1-CB 4.39Å; Y51-N55 WeakPolarHBondContact O-CB 3.42Å; Y51-N55 PolarHBondContact O-N 2.84Å; Q52-N55 PolarHBondContact O-N 3.1Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-N55 PolarHBondContact O-N 3.46Å; N55-A58 PolarHBondContact O-N 2.83Å; N55-Y59 PolarHBondContact O-N 3.07Å; N55-Y59 VanDerWaalsContact OD1-CD2 3.22Å; N55-Y59 WeakPolarHBondContact OD1-CD2 3.49Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.37Å
56L91.2Very high88.8Confident3 Ų336.1 Ų36.12%0.01619%0.193CC..Hα-helixtrans-65.7-39.8173.1-167.782000112.5Q52 L53 L54 A58 G60 D64 Y65 L72 L83Q52-L56 WeakPolarHBondContact O-CB 3.37Å; Q52-L56 PolarHBondContact O-N 2.69Å; L53-L56 HydrophobicContact CD1-CD2 4.3Å; L53-L56 VanDerWaalsContact O-CB 3.22Å; L53-L56 WeakPolarHBondContact O-CB 3.16Å; L53-L56 PolarHBondContact O-N 3.4Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L54-L56 PolarHBondContact O-N 2.78Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-G60 CarbonylContact O-C 3.36Å; L56-G60 WeakPolarHBondContact O-CA 3.28Å; L56-G60 PolarHBondContact O-N 3.42Å; L56-D64 HydrophobicContact CD1-CB 3.57Å; L56-Y65 HydrophobicContact CD2-CD2 3.9Å; L56-Y65 HydrophobicContact CD2-CG 4.23Å; L56-L72 HydrophobicContact CD2-CD1 4.02Å; L56-L83 HydrophobicContact CD2-CD2 3.91Å
57F91Very high89.2Confident0 Ų037.7 Ų37.70%019%0.19CC..Hα-helixtrans-69.4-33.7176.6-87.9-108.1000112.1L22 F30 L53 L54 L75 Q79 K82 L83 L86L22-F57 HydrophobicContact CD1-CD2 4.35Å; L22-F57 HydrophobicContact CD1-CE2 4.25Å; L22-F57 HydrophobicContact CD2-CB 3.97Å; L22-F57 HydrophobicContact CD2-CD1 3.78Å; L22-F57 HydrophobicContact CD2-CD2 4.07Å; L22-F57 HydrophobicContact CD2-CE1 4.26Å; L22-F57 HydrophobicContact CD2-CG 3.66Å; F30-F57 HydrophobicContact CD2-CB 3.99Å; F30-F57 HydrophobicContact CE2-CB 4.03Å; F30-F57 HydrophobicContact CE2-CD1 4.17Å; F30-F57 HydrophobicContact CG-CB 4.49Å; F30-F57 HydrophobicContact CZ-CD1 4.27Å; L53-F57 HydrophobicContact CD1-CD2 4.31Å; L53-F57 HydrophobicContact CD1-CE2 3.96Å; L53-F57 HydrophobicContact CG-CD2 4.31Å; L53-F57 HydrophobicContact CG-CE2 4.15Å; L53-F57 VanDerWaalsContact O-CD2 3.32Å; L53-F57 WeakPolarHBondContact O-CD2 3.42Å; L53-F57 PolarHBondContact O-N 3.48Å; L54-F57 PolarHBondContact O-N 3.4Å; F57-L75 HydrophobicContact CE2-CD1 4.5Å; F57-L75 HydrophobicContact CE2-CD2 4.04Å; F57-L75 HydrophobicContact CZ-CD2 4.18Å; F57-Q79 HydrophobicContact CZ-CB 4.12Å; F57-Q79 WeakPolarHBondContact CZ-O 3.36Å; F57-K82 HydrophobicContact CE1-CB 4.28Å; F57-K82 HydrophobicContact CE1-CD 4.35Å; F57-K82 HydrophobicContact CE1-CG 4.41Å; F57-L83 HydrophobicContact CD1-CD1 4.46Å; F57-L83 HydrophobicContact CD2-CD1 4.25Å; F57-L83 HydrophobicContact CE1-CB 4.02Å; F57-L83 HydrophobicContact CE2-CB 4.35Å; F57-L83 HydrophobicContact CE2-CD1 4.35Å; F57-L83 HydrophobicContact CE2-CD2 4.24Å; F57-L83 HydrophobicContact CG-CD1 4.33Å; F57-L83 HydrophobicContact CZ-CB 3.83Å; F57-L83 HydrophobicContact CZ-CD1 4.5Å; F57-L86 HydrophobicContact CB-CD1 4.34Å; F57-L86 HydrophobicContact CD1-CD1 3.61Å; F57-L86 HydrophobicContact CE1-CD1 4.34Å; F57-L86 HydrophobicContact CG-CD1 4.29Å; F57-L86 WeakPolarHBondContact O-CD1 3.28Å
58A89.8Confident89.4Confident0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-67.7-56.6174.400000111.3F30 L54 N55 L56 D148F30-A58 HydrophobicContact CB-CB 4.14Å; L54-A58 PolarHBondContact O-N 2.98Å; N55-A58 PolarHBondContact O-N 2.83Å; L56-A58 VanDerWaalsContact C-N 3.34Å; A58-D148 WeakPolarHBondContact CA-OD2 3.07Å; A58-D148 HydrophobicContact CB-CB 4.11Å; A58-D148 WeakPolarHBondContact O-CB 3.5Å
59Y89.6Confident89.3Confident67 Ų6741.4 Ų41.426%0.26321%0.208SC..Hα-helixtrans-116.6-20.4-166.3-50.9-62.8000115.2S31 L34 N55 R147 D148 L149S31-Y59 PolarHBondContact OG-OH 2.9Å; S31-Y59 VanDerWaalsContact OG-OH 3.13Å; L34-Y59 HydrophobicContact CD2-CE2 3.71Å; N55-Y59 PolarHBondContact O-N 3.07Å; N55-Y59 VanDerWaalsContact OD1-CD2 3.22Å; N55-Y59 WeakPolarHBondContact OD1-CD2 3.49Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.37Å; Y59-R147 PolarHBondContact O-NH1 2.7Å; Y59-R147 PolarHBondContact O-NH2 2.69Å; Y59-D148 HydrophobicContact CD1-CB 4.27Å; Y59-D148 HydrophobicContact CE1-CB 3.97Å; Y59-L149 WeakPolarHBondContact CE1-O 3.41Å
60G89.1Confident89Confident7 Ų744.3 Ų44.37%0.07224%0.236CC..  trans-92-179.1-172.800000114.8L56 R147L56-G60 CarbonylContact O-C 3.36Å; L56-G60 WeakPolarHBondContact O-CA 3.28Å; L56-G60 PolarHBondContact O-N 3.42Å; G60-R147 PolarHBondContact O-NH1 2.98Å
61T91Very high88.8Confident33 Ų3346.1 Ų46.120%0.20225%0.251CS..  trans-121.5173.8-179.766.30000111.9C63 D64 Y65T61-C63 VanDerWaalsContact C-N 3.31Å; T61-C63 PolarHBondContact O-N 3.11Å; T61-D64 WeakPolarHBondContact CB-OD2 3.42Å; T61-D64 PolarHBondContact N-OD2 3.33Å; T61-D64 WeakPolarHBondContact O-CB 3.44Å; T61-D64 PolarHBondContact O-N 2.92Å; T61-D64 VanDerWaalsContact OG1-CG 3.3Å; T61-D64 PolarHBondContact OG1-N 3.25Å; T61-D64 PolarHBondContact OG1-OD2 2.83Å; T61-Y65 PolarHBondContact O-N 3.4Å; T61-Y65 VanDerWaalsContact O-N 3.17Å
62Y91.3Very high88.7Confident9 Ų945.8 Ų45.84%0.03525%0.251CS..Hα-helixtrans-64.7-34.1175.1-173.2-107.1000112.7D64 Y65 K66 R80 L83 R84 S87 L107 E108Y62-D64 VanDerWaalsContact C-N 3.32Å; Y62-D64 PolarHBondContact O-N 3.2Å; Y62-Y65 HydrophobicContact CE2-CD1 4.11Å; Y62-Y65 WeakPolarHBondContact O-CB 3.32Å; Y62-Y65 PolarHBondContact O-N 2.91Å; Y62-K66 HydrophobicContact CE1-CD 4.15Å; Y62-K66 HydrophobicContact CE1-CG 4.15Å; Y62-K66 PolarHBondContact O-N 3.41Å; Y62-R80 HydrophobicContact CE2-CG 3.67Å; Y62-L83 HydrophobicContact CD2-CD2 4.06Å; Y62-L83 HydrophobicContact CD2-CG 4.29Å; Y62-R84 HydrophobicContact CD1-CG 4.48Å; Y62-R84 HydrophobicContact CD2-CG 4.12Å; Y62-R84 HydrophobicContact CG-CG 4.08Å; Y62-S87 WeakPolarHBondContact CB-OG 3.38Å; Y62-S87 PolarHBondContact N-OG 3.5Å; Y62-L107 WeakPolarHBondContact CD1-O 3.49Å; Y62-L107 VanDerWaalsContact CE1-O 3.26Å; Y62-L107 WeakPolarHBondContact CE1-O 3.38Å; Y62-E108 HydrophobicContact CE1-CB 3.98Å
63C90.1Very high88.5Confident32 Ų3243.3 Ų43.322%0.21624%0.243CC..Hα-helixtrans-60.7-44.2172.5-73.40000111.3T61 Y65 K66 E67 Q106T61-C63 VanDerWaalsContact C-N 3.31Å; T61-C63 PolarHBondContact O-N 3.11Å; C63-Y65 VanDerWaalsContact C-N 3.27Å; C63-Y65 PolarHBondContact O-N 3.13Å; C63-K66 WeakPolarHBondContact O-CB 3.43Å; C63-K66 PolarHBondContact O-N 3.37Å; C63-E67 PolarHBondContact O-N 3.31Å; C63-E67 VanDerWaalsContact O-N 3.09Å; C63-Q106 PolarHBondContact SG-O 3.3Å; C63-Q106 PolarHBondContact SG-OE1 2.95Å
64D90.7Very high88.3Confident45 Ų4552.1 Ų52.124%0.24128%0.284CS..Hα-helixtrans-62.4-33.5177.9-62.9-53.4000112.7L56 T61 Y62 K66 R68L56-D64 HydrophobicContact CD1-CB 3.57Å; T61-D64 WeakPolarHBondContact CB-OD2 3.42Å; T61-D64 PolarHBondContact N-OD2 3.33Å; T61-D64 WeakPolarHBondContact O-CB 3.44Å; T61-D64 PolarHBondContact O-N 2.92Å; T61-D64 VanDerWaalsContact OG1-CG 3.3Å; T61-D64 PolarHBondContact OG1-N 3.25Å; T61-D64 PolarHBondContact OG1-OD2 2.83Å; Y62-D64 VanDerWaalsContact C-N 3.32Å; Y62-D64 PolarHBondContact O-N 3.2Å; D64-K66 VanDerWaalsContact C-N 3.35Å; D64-R68 PolarHBondContact O-N 3.49Å
65Y91.4Very high88.2Confident17 Ų1752.6 Ų52.67%0.06729%0.286CS..Hα-helixtrans-60.6-46.6171.4177.2-111.6000111L53 L56 T61 Y62 C63 E67 R68 A69 L72 P73 L75 L83L53-Y65 HydrophobicContact CD1-CD2 4.23Å; L53-Y65 HydrophobicContact CD1-CE2 4.24Å; L56-Y65 HydrophobicContact CD2-CD2 3.9Å; L56-Y65 HydrophobicContact CD2-CG 4.23Å; T61-Y65 PolarHBondContact O-N 3.4Å; T61-Y65 VanDerWaalsContact O-N 3.17Å; Y62-Y65 HydrophobicContact CE2-CD1 4.11Å; Y62-Y65 WeakPolarHBondContact O-CB 3.32Å; Y62-Y65 PolarHBondContact O-N 2.91Å; C63-Y65 VanDerWaalsContact C-N 3.27Å; C63-Y65 PolarHBondContact O-N 3.13Å; Y65-E67 PolarHBondContact O-N 3.41Å; Y65-R68 CarbonylContact O-C 3.59Å; Y65-R68 VanDerWaalsContact O-C 3.25Å; Y65-R68 PolarHBondContact O-N 3.24Å; Y65-R68 VanDerWaalsContact O-N 3.14Å; Y65-A69 WeakPolarHBondContact O-CA 3.32Å; Y65-A69 PolarHBondContact O-N 3.01Å; Y65-L72 HydrophobicContact CD2-CB 4.43Å; Y65-L72 HydrophobicContact CD2-CD1 3.72Å; Y65-L72 HydrophobicContact CE2-CB 4.03Å; Y65-L72 HydrophobicContact CE2-CD1 4.17Å; Y65-P73 PolarHBondContact OH-O 2.91Å; Y65-P73 VanDerWaalsContact OH-O 3.06Å; Y65-L75 HydrophobicContact CD1-CD1 3.9Å; Y65-L75 HydrophobicContact CD2-CD1 3.74Å; Y65-L75 HydrophobicContact CD2-CG 4.22Å; Y65-L75 HydrophobicContact CE1-CD1 3.72Å; Y65-L75 HydrophobicContact CE1-CG 4.1Å; Y65-L75 HydrophobicContact CE2-CD1 3.58Å; Y65-L75 HydrophobicContact CE2-CD2 4.47Å; Y65-L75 HydrophobicContact CE2-CG 3.56Å; Y65-L75 HydrophobicContact CG-CD1 3.9Å; Y65-L75 VanDerWaalsContact CZ-CG 3.48Å; Y65-L75 PolarHBondContact OH-N 3.43Å; Y65-L75 VanDerWaalsContact OH-N 3.16Å; Y65-L83 HydrophobicContact CG-CD2 4.18Å
66K88Confident88.2Confident86 Ų8651.6 Ų51.637%0.37428%0.283SS..Hα-helixtrans-66.6-39.5-175.3-70.7-136.7-66.7148.20112.9Y62 C63 D64 R68 A69 E108Y62-K66 HydrophobicContact CE1-CD 4.15Å; Y62-K66 HydrophobicContact CE1-CG 4.15Å; Y62-K66 PolarHBondContact O-N 3.41Å; C63-K66 WeakPolarHBondContact O-CB 3.43Å; C63-K66 PolarHBondContact O-N 3.37Å; D64-K66 VanDerWaalsContact C-N 3.35Å; K66-R68 PolarHBondContact O-N 3.2Å; K66-A69 WeakPolarHBondContact O-CB 3.47Å; K66-A69 PolarHBondContact O-N 3.45Å; K66-E108 WeakPolarHBondContact CD-OE2 3.43Å; K66-E108 VanDerWaalsContact CE-CD 3.45Å; K66-E108 WeakPolarHBondContact CE-OE2 3.39Å; K66-E108 IonicContact NZ-OE1 3.98Å; K66-E108 PolarHBondContact NZ-OE1 3.05Å; K66-E108 IonicContact NZ-OE2 2.69Å; K66-E108 PolarHBondContact NZ-OE2 3.13Å
67E89.1Confident88.1Confident159 Ų15956.3 Ų56.374%0.74331%0.314SS*.Hα-helixtrans-62.4-31.5174.9-67.8-177.1-177.900111.9C63 Y65C63-E67 PolarHBondContact O-N 3.31Å; C63-E67 VanDerWaalsContact O-N 3.09Å; Y65-E67 PolarHBondContact O-N 3.41Å
68R88.1Confident88Confident104 Ų10458.9 Ų58.939%0.39234%0.335SS..THydrogen-bonded Turntrans-104.614.8-179.8-65.4-172.2-77.5-111.39.3114D64 Y65 K66 A70 S71 L72D64-R68 PolarHBondContact O-N 3.49Å; Y65-R68 CarbonylContact O-C 3.59Å; Y65-R68 VanDerWaalsContact O-C 3.25Å; Y65-R68 PolarHBondContact O-N 3.24Å; Y65-R68 VanDerWaalsContact O-N 3.14Å; K66-R68 PolarHBondContact O-N 3.2Å; R68-A70 PolarHBondContact O-N 2.93Å; R68-A70 VanDerWaalsContact O-N 3.11Å; R68-S71 PolarHBondContact O-N 2.91Å; R68-S71 PolarHBondContact O-OG 3.15Å; R68-L72 HydrophobicContact CB-CD1 3.7Å; R68-L72 HydrophobicContact CB-CG 4.04Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 3.27Å
69A82.1Confident88Confident49 Ų4959.1 Ų59.141%0.40534%0.336SS..THydrogen-bonded Turntrans-62.4-26.1-173.500000112.9Y65 K66Y65-A69 WeakPolarHBondContact O-CA 3.32Å; Y65-A69 PolarHBondContact O-N 3.01Å; K66-A69 WeakPolarHBondContact O-CB 3.47Å; K66-A69 PolarHBondContact O-N 3.45Å
70A82.5Confident88.1Confident112 Ų11260.4 Ų60.493%0.92634%0.34SS*.THydrogen-bonded Turntrans-73.6-24.1176.500000113.8R68R68-A70 PolarHBondContact O-N 2.93Å; R68-A70 VanDerWaalsContact O-N 3.11Å
71S83.1Confident88.2Confident63 Ų6362.1 Ų62.144%0.44135%0.348SS..THydrogen-bonded Turntrans-103.4-16.3-178.2550000113.5R68R68-S71 PolarHBondContact O-N 2.91Å; R68-S71 PolarHBondContact O-OG 3.15Å
72L86.2Confident88.3Confident15 Ų1561 Ų618%0.07934%0.34CS..SBendtrans-100.4154.3-176.3-66.4175.4000111.7Q52 L53 L56 Y65 R68Q52-L72 HydrophobicContact CB-CD2 3.75Å; L53-L72 HydrophobicContact CB-CD2 4.39Å; L53-L72 HydrophobicContact CD1-CD1 4.42Å; L56-L72 HydrophobicContact CD2-CD1 4.02Å; Y65-L72 HydrophobicContact CD2-CB 4.43Å; Y65-L72 HydrophobicContact CD2-CD1 3.72Å; Y65-L72 HydrophobicContact CE2-CB 4.03Å; Y65-L72 HydrophobicContact CE2-CD1 4.17Å; R68-L72 HydrophobicContact CB-CD1 3.7Å; R68-L72 HydrophobicContact CB-CG 4.04Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 3.27Å
73P84.6Confident88.3Confident40 Ų4060.6 Ų60.626%0.2634%0.339SS..PPolyproline II helixtrans-59151.1171.5-21.233.3000112.4P49 M50 L53 Y65 L75P49-P73 HydrophobicContact CB-CG 4.2Å; M50-P73 HydrophobicContact CE-CG 4.4Å; L53-P73 HydrophobicContact CD2-CB 4.44Å; L53-P73 HydrophobicContact CD2-CG 4.35Å; Y65-P73 PolarHBondContact OH-O 2.91Å; Y65-P73 VanDerWaalsContact OH-O 3.06Å; P73-L75 PolarHBondContact O-N 3.32Å
74E86.4Confident88.5Confident187 Ų18760.4 Ų60.487%0.87433%0.333SS*.PPolyproline II helixtrans-65.6128.8172.6-70.1-166.9163.800110.7
75L87.4Confident88.5Confident9 Ų958.4 Ų58.45%0.04732%0.322CS..PPolyproline II helixtrans-81.4134.9178.3-72179.8000111.6L53 F57 Y65 P73 Q79 R80 L83L53-L75 HydrophobicContact CD1-CD2 3.89Å; L53-L75 HydrophobicContact CD2-CD2 3.85Å; L53-L75 HydrophobicContact CG-CD2 4.36Å; F57-L75 HydrophobicContact CE2-CD1 4.5Å; F57-L75 HydrophobicContact CE2-CD2 4.04Å; F57-L75 HydrophobicContact CZ-CD2 4.18Å; Y65-L75 HydrophobicContact CD1-CD1 3.9Å; Y65-L75 HydrophobicContact CD2-CD1 3.74Å; Y65-L75 HydrophobicContact CD2-CG 4.22Å; Y65-L75 HydrophobicContact CE1-CD1 3.72Å; Y65-L75 HydrophobicContact CE1-CG 4.1Å; Y65-L75 HydrophobicContact CE2-CD1 3.58Å; Y65-L75 HydrophobicContact CE2-CD2 4.47Å; Y65-L75 HydrophobicContact CE2-CG 3.56Å; Y65-L75 HydrophobicContact CG-CD1 3.9Å; Y65-L75 VanDerWaalsContact CZ-CG 3.48Å; Y65-L75 PolarHBondContact OH-N 3.43Å; Y65-L75 VanDerWaalsContact OH-N 3.16Å; P73-L75 PolarHBondContact O-N 3.32Å; L75-Q79 HydrophobicContact CB-CB 4.41Å; L75-Q79 HydrophobicContact CD2-CB 3.84Å; L75-R80 HydrophobicContact CB-CB 4.44Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å
76T89.8Confident88.6Confident47 Ų4757.6 Ų57.629%0.28832%0.319SS..PPolyproline II helixtrans-65.8158166.972.40000110.4E23 A78 Q79 R80E23-T76 VanDerWaalsContact OE1-CB 3.31Å; E23-T76 WeakPolarHBondContact OE1-CB 3.46Å; E23-T76 WeakPolarHBondContact OE1-CG2 3.38Å; E23-T76 PolarHBondContact OE1-OG1 3.44Å; T76-A78 PolarHBondContact O-N 2.86Å; T76-Q79 VanDerWaalsContact N-OE1 3.16Å; T76-Q79 PolarHBondContact O-N 2.9Å; T76-Q79 VanDerWaalsContact OG1-CG 3.31Å; T76-Q79 WeakPolarHBondContact OG1-CG 2.99Å; T76-Q79 PolarHBondContact OG1-N 3.33Å; T76-R80 WeakPolarHBondContact O-CB 3.4Å; T76-R80 PolarHBondContact O-N 3.34Å
77P89.3Confident88.8Confident102 Ų10253.7 Ų53.766%0.66230%0.303SS*.Hα-helixtrans-55.3-37.5178.6-26.935.5000113.3R80 N81P77-R80 PolarHBondContact O-N 3.38Å; P77-N81 PolarHBondContact O-N 2.84Å
78A89.4Confident88.9Confident54 Ų5446.1 Ų46.145%0.44627%0.268SS..Hα-helixtrans-66.2-48.3177.900000112E23 T76 R80 N81 K82E23-A78 HydrophobicContact CG-CB 4.47Å; T76-A78 PolarHBondContact O-N 2.86Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 2.9Å; A78-N81 PolarHBondContact O-N 3.41Å; A78-K82 WeakPolarHBondContact O-CB 3.18Å; A78-K82 PolarHBondContact O-N 3.17Å
79Q90.1Very high89.1Confident4 Ų441.2 Ų41.22%0.01925%0.249CC..Hα-helixtrans-62.3-37.3176.8-65.8170.2-21.700111.6S19 L22 E23 F57 L75 T76 K82 L83S19-Q79 PolarHBondContact O-NE2 2.8Å; S19-Q79 PolarHBondContact OG-NE2 3.22Å; S19-Q79 VanDerWaalsContact OG-NE2 3.11Å; L22-Q79 HydrophobicContact CB-CG 4.08Å; E23-Q79 HydrophobicContact CG-CG 3.49Å; E23-Q79 VanDerWaalsContact CG-CG 3.49Å; F57-Q79 HydrophobicContact CZ-CB 4.12Å; F57-Q79 WeakPolarHBondContact CZ-O 3.36Å; L75-Q79 HydrophobicContact CB-CB 4.41Å; L75-Q79 HydrophobicContact CD2-CB 3.84Å; T76-Q79 VanDerWaalsContact N-OE1 3.16Å; T76-Q79 PolarHBondContact O-N 2.9Å; T76-Q79 VanDerWaalsContact OG1-CG 3.31Å; T76-Q79 WeakPolarHBondContact OG1-CG 2.99Å; T76-Q79 PolarHBondContact OG1-N 3.33Å; Q79-K82 WeakPolarHBondContact O-CB 3.48Å; Q79-K82 PolarHBondContact O-N 2.84Å; Q79-L83 PolarHBondContact O-N 2.88Å
80R91.2Very high89.4Confident94 Ų9439.7 Ų39.736%0.35524%0.235SC..Hα-helixtrans-62.9-46.9176.3-171.9179.2-58.81765.6112.1Y62 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 3.4Å; T76-R80 PolarHBondContact O-N 3.34Å; P77-R80 PolarHBondContact O-N 3.38Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 2.9Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.17Å; R80-L83 PolarHBondContact O-N 3.18Å; R80-R84 WeakPolarHBondContact O-CG 3.4Å; R80-R84 PolarHBondContact O-N 2.83Å
81N91.2Very high89.9Confident43 Ų4336 Ų3623%0.2320%0.2CC..Hα-helixtrans-62.5-40.1176.5-74.30.4000111P77 A78 L83 R84 H85 L118P77-N81 PolarHBondContact O-N 2.84Å; A78-N81 PolarHBondContact O-N 3.41Å; N81-L83 PolarHBondContact O-N 2.91Å; N81-R84 CarbonylContact O-C 3.25Å; N81-R84 WeakPolarHBondContact O-CA 3.49Å; N81-R84 WeakPolarHBondContact O-CB 3.3Å; N81-R84 PolarHBondContact O-N 3.39Å; N81-R84 VanDerWaalsContact O-N 3.16Å; N81-H85 PolarHBondContact O-CD2 3.29Å; N81-H85 VanDerWaalsContact O-CG 3.3Å; N81-H85 PolarHBondContact O-N 3.11Å; N81-L118 HydrophobicContact CB-CD2 3.96Å
82K91.9Very high90.2Very high11 Ų1133.6 Ų33.65%0.04818%0.184CC..Hα-helixtrans-62.2-43.2175.6-164.8178.9-173.3173.40113.1L22 T24 L27 Y28 F57 A78 Q79 R80 R84 H85 L86L22-K82 WeakPolarHBondContact O-CD 3.3Å; L22-K82 WeakPolarHBondContact O-CE 3.39Å; L22-K82 PolarHBondContact O-NZ 2.91Å; T24-K82 PolarHBondContact O-NZ 2.97Å; L27-K82 WeakPolarHBondContact O-CE 3.26Å; L27-K82 PolarHBondContact O-NZ 2.94Å; Y28-K82 HydrophobicContact CD1-CG 4.22Å; Y28-K82 HydrophobicContact CE1-CD 4.47Å; Y28-K82 HydrophobicContact CE1-CG 3.61Å; F57-K82 HydrophobicContact CE1-CB 4.28Å; F57-K82 HydrophobicContact CE1-CD 4.35Å; F57-K82 HydrophobicContact CE1-CG 4.41Å; A78-K82 WeakPolarHBondContact O-CB 3.18Å; A78-K82 PolarHBondContact O-N 3.17Å; Q79-K82 WeakPolarHBondContact O-CB 3.48Å; Q79-K82 PolarHBondContact O-N 2.84Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.17Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.34Å; K82-H85 WeakPolarHBondContact O-CB 3.37Å; K82-H85 PolarHBondContact O-N 2.95Å; K82-L86 WeakPolarHBondContact O-CG 3.47Å; K82-L86 PolarHBondContact O-N 3.12Å
83L92.3Very high90.3Very high0 Ų036.9 Ų36.90%021%0.208CC..Hα-helixtrans-65.3-34.1175.1-171.958.9000112.1L56 F57 Y62 Y65 L75 Q79 R80 N81 L86 S87L56-L83 HydrophobicContact CD2-CD2 3.91Å; F57-L83 HydrophobicContact CD1-CD1 4.46Å; F57-L83 HydrophobicContact CD2-CD1 4.25Å; F57-L83 HydrophobicContact CE1-CB 4.02Å; F57-L83 HydrophobicContact CE2-CB 4.35Å; F57-L83 HydrophobicContact CE2-CD1 4.35Å; F57-L83 HydrophobicContact CE2-CD2 4.24Å; F57-L83 HydrophobicContact CG-CD1 4.33Å; F57-L83 HydrophobicContact CZ-CB 3.83Å; F57-L83 HydrophobicContact CZ-CD1 4.5Å; Y62-L83 HydrophobicContact CD2-CD2 4.06Å; Y62-L83 HydrophobicContact CD2-CG 4.29Å; Y65-L83 HydrophobicContact CG-CD2 4.18Å; L75-L83 HydrophobicContact CD1-CD2 4.02Å; Q79-L83 PolarHBondContact O-N 2.88Å; R80-L83 PolarHBondContact O-N 3.18Å; N81-L83 PolarHBondContact O-N 2.91Å; L83-L86 HydrophobicContact CD1-CD1 4.42Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-S87 WeakPolarHBondContact O-CB 3.43Å; L83-S87 PolarHBondContact O-N 3.44Å; L83-S87 PolarHBondContact O-OG 2.87Å
84R93Very high90.4Very high28 Ų2841.6 Ų41.611%0.10623%0.231CC..Hα-helixtrans-64.1-44.3170.7-72.6169.2168.2171.7-9.6111.5Y62 R80 N81 K82 L86 S87 I88 L107 E108Y62-R84 HydrophobicContact CD1-CG 4.48Å; Y62-R84 HydrophobicContact CD2-CG 4.12Å; Y62-R84 HydrophobicContact CG-CG 4.08Å; R80-R84 WeakPolarHBondContact O-CG 3.4Å; R80-R84 PolarHBondContact O-N 2.83Å; N81-R84 CarbonylContact O-C 3.25Å; N81-R84 WeakPolarHBondContact O-CA 3.49Å; N81-R84 WeakPolarHBondContact O-CB 3.3Å; N81-R84 PolarHBondContact O-N 3.39Å; N81-R84 VanDerWaalsContact O-N 3.16Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 3.34Å; R84-L86 PolarHBondContact O-N 3.32Å; R84-S87 WeakPolarHBondContact O-CB 3.49Å; R84-S87 PolarHBondContact O-N 3.48Å; R84-I88 WeakPolarHBondContact O-CG1 3.31Å; R84-I88 PolarHBondContact O-N 3.41Å; R84-L107 HydrophobicContact CB-CD2 3.92Å; R84-L107 HydrophobicContact CG-CB 4.28Å; R84-L107 HydrophobicContact CG-CD2 4.07Å; R84-L107 PolarHBondContact NE-O 2.94Å; R84-L107 VanDerWaalsContact NE-O 3.08Å; R84-L107 PolarHBondContact NH2-O 3.32Å; R84-E108 PolarHBondContact NH2-O 3.31Å
85H92.1Very high90.5Very high2 Ų236.5 Ų36.51%0.00921%0.21CC..Hα-helixtrans-58.6-47173.8-61.8162000111.8Y28 N81 K82 S87 I88 I89 L118 E121 I127Y28-H85 HydrophobicContact CE1-CB 4.16Å; N81-H85 PolarHBondContact O-CD2 3.29Å; N81-H85 VanDerWaalsContact O-CG 3.3Å; N81-H85 PolarHBondContact O-N 3.11Å; K82-H85 WeakPolarHBondContact O-CB 3.37Å; K82-H85 PolarHBondContact O-N 2.95Å; H85-S87 VanDerWaalsContact C-N 3.26Å; H85-S87 PolarHBondContact O-N 3.1Å; H85-I88 WeakPolarHBondContact O-CB 3.38Å; H85-I88 PolarHBondContact O-N 3.43Å; H85-I89 WeakPolarHBondContact O-CG1 3.49Å; H85-I89 PolarHBondContact O-N 3.37Å; H85-L118 PolarHBondContact NE2-O 2.91Å; H85-E121 IonicContact CE1-OE1 2.78Å; H85-E121 IonicContact CE1-OE2 3.9Å; H85-I127 HydrophobicContact CB-CD1 4.03Å
86L92.2Very high90.6Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-60.2-36.1176.2-70.4165.4000112.7Y28 F30 F57 K82 L83 R84 I89 S90 R147Y28-L86 HydrophobicContact CD1-CD2 3.76Å; Y28-L86 HydrophobicContact CD1-CG 4.05Å; Y28-L86 HydrophobicContact CG-CD2 4.46Å; F30-L86 HydrophobicContact CE2-CD1 4.12Å; F57-L86 HydrophobicContact CB-CD1 4.34Å; F57-L86 HydrophobicContact CD1-CD1 3.61Å; F57-L86 HydrophobicContact CE1-CD1 4.34Å; F57-L86 HydrophobicContact CG-CD1 4.29Å; F57-L86 WeakPolarHBondContact O-CD1 3.28Å; K82-L86 WeakPolarHBondContact O-CG 3.47Å; K82-L86 PolarHBondContact O-N 3.12Å; L83-L86 HydrophobicContact CD1-CD1 4.42Å; L83-L86 PolarHBondContact O-N 3.35Å; R84-L86 PolarHBondContact O-N 3.32Å; L86-I89 HydrophobicContact CD2-CD1 4.28Å; L86-I89 PolarHBondContact O-N 3.31Å; L86-S90 PolarHBondContact O-N 2.92Å; L86-S90 VanDerWaalsContact O-N 3.1Å; L86-S90 PolarHBondContact O-OG 2.85Å; L86-R147 HydrophobicContact CD2-CG 4.08Å
87S92.3Very high90.8Very high4 Ų444.6 Ų44.63%0.02825%0.247CC..Hα-helixtrans-67.5-39.9174.5-55.70000111.4Y62 L83 R84 H85 S90 L91Y62-S87 WeakPolarHBondContact CB-OG 3.38Å; Y62-S87 PolarHBondContact N-OG 3.5Å; L83-S87 WeakPolarHBondContact O-CB 3.43Å; L83-S87 PolarHBondContact O-N 3.44Å; L83-S87 PolarHBondContact O-OG 2.87Å; R84-S87 WeakPolarHBondContact O-CB 3.49Å; R84-S87 PolarHBondContact O-N 3.48Å; H85-S87 VanDerWaalsContact C-N 3.26Å; H85-S87 PolarHBondContact O-N 3.1Å; S87-S90 WeakPolarHBondContact O-CB 3.15Å; S87-S90 PolarHBondContact O-N 2.93Å; S87-L91 WeakPolarHBondContact O-CG 3.26Å; S87-L91 PolarHBondContact O-N 3.23Å
88I91.8Very high91Very high1 Ų139.7 Ų39.71%0.00522%0.215CC..Hα-helixtrans-61.7-44.9174.2-65.8162.1000110.7R84 H85 S90 L91 A92 L98 L103 L107 L119 I128R84-I88 WeakPolarHBondContact O-CG1 3.31Å; R84-I88 PolarHBondContact O-N 3.41Å; H85-I88 WeakPolarHBondContact O-CB 3.38Å; H85-I88 PolarHBondContact O-N 3.43Å; I88-S90 PolarHBondContact O-N 2.7Å; I88-L91 PolarHBondContact O-N 3.42Å; I88-A92 WeakPolarHBondContact O-CB 3.35Å; I88-A92 PolarHBondContact O-N 3.45Å; I88-L98 HydrophobicContact CG2-CD1 4.42Å; I88-L103 HydrophobicContact CG1-CD2 4.14Å; I88-L107 HydrophobicContact CD1-CD1 3.79Å; I88-L107 HydrophobicContact CG1-CD1 3.74Å; I88-L107 HydrophobicContact CG1-CD2 4.21Å; I88-L119 HydrophobicContact CD1-CD2 4.08Å; I88-L119 HydrophobicContact CG2-CD2 4.31Å; I88-I128 HydrophobicContact CG2-CD1 4.42Å; I88-I128 HydrophobicContact CG2-CG2 4.4Å
89I91.6Very high91.3Very high1 Ų139.5 Ų39.51%0.00521%0.209CC..Hα-helixtrans-57.5-41.9176.4-63.5167.3000110.9H85 L86 A92 S93 I127 V145 R147H85-I89 WeakPolarHBondContact O-CG1 3.49Å; H85-I89 PolarHBondContact O-N 3.37Å; L86-I89 HydrophobicContact CD2-CD1 4.28Å; L86-I89 PolarHBondContact O-N 3.31Å; I89-A92 PolarHBondContact O-N 3.49Å; I89-S93 PolarHBondContact O-N 2.89Å; I89-S93 PolarHBondContact O-OG 2.97Å; I89-I127 HydrophobicContact CD1-CG2 3.26Å; I89-I127 HydrophobicContact CG1-CG2 3.54Å; I89-V145 WeakPolarHBondContact CG2-O 3.32Å; I89-R147 HydrophobicContact CG2-CB 4.18Å
90S90.1Very high91.5Very high16 Ų1639.5 Ų39.511%0.11221%0.209CC..Hα-helixtrans-67.7-38.4-179.1-55.60000111.8L86 S87 I88 N94 R147L86-S90 PolarHBondContact O-N 2.92Å; L86-S90 VanDerWaalsContact O-N 3.1Å; L86-S90 PolarHBondContact O-OG 2.85Å; S87-S90 WeakPolarHBondContact O-CB 3.15Å; S87-S90 PolarHBondContact O-N 2.93Å; I88-S90 PolarHBondContact O-N 2.7Å; S90-N94 PolarHBondContact O-ND2 3.33Å; S90-R147 PolarHBondContact OG-NE 3.49Å; S90-R147 PolarHBondContact OG-NH1 2.76Å; S90-R147 PolarHBondContact OG-NH2 3.45Å
91L91.2Very high91.6Very high35 Ų3539.1 Ų39.118%0.18322%0.221CC..Hα-helixtrans-68.3-43173.1-68171.6000111.4S87 I88 S93 N94 L95 L98 L102 L103 Q106S87-L91 WeakPolarHBondContact O-CG 3.26Å; S87-L91 PolarHBondContact O-N 3.23Å; I88-L91 PolarHBondContact O-N 3.42Å; L91-S93 PolarHBondContact O-N 3.32Å; L91-N94 PolarHBondContact O-N 2.81Å; L91-L95 PolarHBondContact O-N 3.23Å; L91-L98 HydrophobicContact CB-CD1 4.29Å; L91-L98 HydrophobicContact CB-CD2 3.72Å; L91-L102 HydrophobicContact CD2-CD2 4.45Å; L91-L103 HydrophobicContact CD1-CD2 3.83Å; L91-Q106 HydrophobicContact CD1-CB 4.15Å; L91-Q106 HydrophobicContact CD1-CG 4.24Å
92A90.9Very high91.7Very high13 Ų1339.2 Ų39.211%0.10722%0.221CC..Hα-helixtrans-62.3-29.6177.800000112.9I88 I89 N94 L95 L98 V141I88-A92 WeakPolarHBondContact O-CB 3.35Å; I88-A92 PolarHBondContact O-N 3.45Å; I89-A92 PolarHBondContact O-N 3.49Å; A92-N94 PolarHBondContact O-N 3.09Å; A92-L95 WeakPolarHBondContact CA-O 3.48Å; A92-L98 HydrophobicContact CB-CD1 4.15Å; A92-V141 HydrophobicContact CB-CB 4.23Å; A92-V141 HydrophobicContact CB-CG1 3.93Å; A92-V141 HydrophobicContact CB-CG2 4.17Å
93S87.3Confident91.7Very high84 Ų8438.7 Ų38.759%0.58722%0.219SC*.Hα-helixtrans-64.8-25.9175.4-57.90000112.6I89 L91I89-S93 PolarHBondContact O-N 2.89Å; I89-S93 PolarHBondContact O-OG 2.97Å; L91-S93 PolarHBondContact O-N 3.32Å
94N86.2Confident91.8Very high138 Ų13840.6 Ų40.674%0.73823%0.229SC*.Hα-helixtrans-101.8-31.8-178.9-68.7-75.2000112.9S90 L91 A92S90-N94 PolarHBondContact O-ND2 3.33Å; L91-N94 PolarHBondContact O-N 2.81Å; A92-N94 PolarHBondContact O-N 3.09Å
95L89.6Confident91.7Very high81 Ų8146.2 Ų46.242%0.42426%0.257SS..  trans-133.6123.2-172.8-64.6174.3000110.7L91 A92 L98 L102L91-L95 PolarHBondContact O-N 3.23Å; A92-L95 WeakPolarHBondContact CA-O 3.48Å; L95-L98 HydrophobicContact CB-CD2 3.75Å; L95-L98 HydrophobicContact CD1-CD2 4.23Å; L95-L102 HydrophobicContact CD1-CD2 3.98Å
96K89.9Confident91.6Very high166 Ų16648.8 Ų48.872%0.72227%0.268SS*.SBendtrans-69.6-36.5174.6-69.9-164173.5-168.90113.5V141K96-V141 PolarHBondContact O-N 3.44Å
97C93Very high91.5Very high59 Ų5948.8 Ų48.840%0.39927%0.268SS..EExtended strand (participates in β ladder)trans-110.3112.5177.7-56.40000108.1P99 V139C97-P99 WeakPolarHBondContact O-CD 3.18Å; C97-V139 WeakPolarHBondContact CA-O 3.46Å
98L93.9Very high91.4Very high0 Ų053.2 Ų53.20%029%0.289CS..EExtended strand (participates in β ladder)trans-100.4113.6-178.4-65170.7000109.9I88 L91 A92 L95 L103 Q138 V139 V141I88-L98 HydrophobicContact CG2-CD1 4.42Å; L91-L98 HydrophobicContact CB-CD1 4.29Å; L91-L98 HydrophobicContact CB-CD2 3.72Å; A92-L98 HydrophobicContact CB-CD1 4.15Å; L95-L98 HydrophobicContact CB-CD2 3.75Å; L95-L98 HydrophobicContact CD1-CD2 4.23Å; L98-L103 HydrophobicContact CB-CD1 4.05Å; L98-L103 HydrophobicContact CB-CD2 4.49Å; L98-L103 HydrophobicContact CB-CG 4.3Å; L98-L103 HydrophobicContact CD1-CD2 4.35Å; L98-Q138 CarbonylContact O-C 3.58Å; L98-Q138 VanDerWaalsContact O-CA 3.28Å; L98-Q138 WeakPolarHBondContact O-CA 3.46Å; L98-V139 HydrophobicContact CB-CG1 3.66Å; L98-V139 HydrophobicContact CD1-CG1 4.25Å; L98-V139 HydrophobicContact CG-CG1 4.47Å; L98-V139 PolarHBondContact N-O 3.17Å; L98-V139 PolarHBondContact O-N 3.27Å; L98-V141 HydrophobicContact CD1-CG2 3.98Å
99P95Very high91.2Very high49 Ų4953.8 Ų53.832%0.31829%0.292SS..EExtended strand (participates in β ladder)trans-66.9143.7175.6-19.332.6000111.5C97 S101 L102 L103C97-P99 WeakPolarHBondContact O-CD 3.18Å; P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.08Å; P99-L102 HydrophobicContact CB-CB 4.47Å; P99-L102 WeakPolarHBondContact O-CB 3.19Å; P99-L102 PolarHBondContact O-N 2.79Å; P99-L103 PolarHBondContact O-N 3.39Å
100Y94.5Very high91Very high4 Ų462.8 Ų62.82%0.01633%0.331CS..Hα-helixtrans-63.1-35.1178.4-74.89.4000112L102 L103 L104 V112 L115 L119 Q134 Q137 V139Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 3.07Å; Y100-L103 PolarHBondContact O-N 3.19Å; Y100-L104 WeakPolarHBondContact O-CB 3.36Å; Y100-L104 WeakPolarHBondContact O-CG 3.49Å; Y100-L104 PolarHBondContact O-N 3.29Å; Y100-V112 HydrophobicContact CD2-CG1 3.78Å; Y100-V112 HydrophobicContact CE2-CG1 3.81Å; Y100-L115 HydrophobicContact CD1-CD2 4.08Å; Y100-L115 HydrophobicContact CD2-CD2 4.33Å; Y100-L115 HydrophobicContact CG-CD2 3.89Å; Y100-L119 HydrophobicContact CE1-CD1 4.38Å; Y100-Q134 VanDerWaalsContact CE2-OE1 3.28Å; Y100-Q134 PolarHBondContact OH-OE1 3.1Å; Y100-Q137 WeakPolarHBondContact CB-O 3.34Å; Y100-Q137 WeakPolarHBondContact CD1-O 3.4Å; Y100-Q137 HydrophobicContact CD2-CB 4.21Å; Y100-Q137 HydrophobicContact CG-CB 4.3Å; Y100-Q137 PolarHBondContact N-O 3.23Å; Y100-V139 HydrophobicContact CE1-CB 4.33Å
101S93.2Very high91Very high86 Ų8666 Ų6660%0.60135%0.346SS*.Hα-helixtrans-57.5-43.3175.652.20000112.5P99 Q105P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.08Å; S101-Q105 WeakPolarHBondContact O-CB 3.43Å; S101-Q105 PolarHBondContact O-N 2.78Å; S101-Q105 VanDerWaalsContact O-N 3.11Å
102L93.2Very high91.1Very high45 Ų4566.9 Ų66.924%0.23635%0.353CS..Hα-helixtrans-64.7-46.3176.6179.364.4000111L91 L95 P99 Y100 Q105 Q106L91-L102 HydrophobicContact CD2-CD2 4.45Å; L95-L102 HydrophobicContact CD1-CD2 3.98Å; P99-L102 HydrophobicContact CB-CB 4.47Å; P99-L102 WeakPolarHBondContact O-CB 3.19Å; P99-L102 PolarHBondContact O-N 2.79Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 3.07Å; L102-Q105 PolarHBondContact O-N 3.01Å; L102-Q106 HydrophobicContact CD1-CG 3.9Å; L102-Q106 HydrophobicContact CG-CG 4.33Å; L102-Q106 WeakPolarHBondContact O-CB 2.99Å; L102-Q106 VanDerWaalsContact O-CG 3.26Å; L102-Q106 WeakPolarHBondContact O-CG 2.94Å; L102-Q106 PolarHBondContact O-N 2.81Å
103L92.5Very high91.1Very high0 Ų073.2 Ų73.20%038%0.375CS..Hα-helixtrans-64.8-43.6179.7-68.6173.1000112.2I88 L91 L98 P99 Y100 Q105 Q106 L107 L115 L119 V139I88-L103 HydrophobicContact CG1-CD2 4.14Å; L91-L103 HydrophobicContact CD1-CD2 3.83Å; L98-L103 HydrophobicContact CB-CD1 4.05Å; L98-L103 HydrophobicContact CB-CD2 4.49Å; L98-L103 HydrophobicContact CB-CG 4.3Å; L98-L103 HydrophobicContact CD1-CD2 4.35Å; P99-L103 PolarHBondContact O-N 3.39Å; Y100-L103 PolarHBondContact O-N 3.19Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.33Å; L103-Q106 PolarHBondContact O-N 3.26Å; L103-L107 HydrophobicContact CB-CD1 4.31Å; L103-L107 HydrophobicContact CD2-CD1 4.3Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 WeakPolarHBondContact O-CG 3.42Å; L103-L107 PolarHBondContact O-N 2.69Å; L103-L115 HydrophobicContact CB-CD1 3.74Å; L103-L115 HydrophobicContact CB-CD2 3.86Å; L103-L115 HydrophobicContact CB-CG 4.48Å; L103-L115 HydrophobicContact CD1-CD1 4.13Å; L103-L115 HydrophobicContact CD1-CD2 4.3Å; L103-L115 HydrophobicContact CG-CD1 4.5Å; L103-L119 HydrophobicContact CD1-CD1 4.37Å; L103-L119 HydrophobicContact CD1-CD2 4.49Å; L103-V139 HydrophobicContact CD1-CG1 3.75Å
104L93.2Very high91.4Very high41 Ų4173.2 Ų73.222%0.21537%0.365CS..Hα-helixtrans-60-41.2176.4-70.5171.8000111.3Y100 E108 L109 V112 L115Y100-L104 WeakPolarHBondContact O-CB 3.36Å; Y100-L104 WeakPolarHBondContact O-CG 3.49Å; Y100-L104 PolarHBondContact O-N 3.29Å; L104-E108 VanDerWaalsContact O-CA 3.3Å; L104-E108 WeakPolarHBondContact O-CA 3.33Å; L104-E108 PolarHBondContact O-N 3.21Å; L104-E108 VanDerWaalsContact O-N 3.12Å; L104-L109 HydrophobicContact CD2-CB 3.74Å; L104-L109 PolarHBondContact O-N 2.94Å; L104-V112 HydrophobicContact CD1-CG2 4.29Å; L104-L115 HydrophobicContact CD2-CB 4.07Å; L104-L115 HydrophobicContact CD2-CD2 4.09Å; L104-L115 HydrophobicContact CG-CD2 4.1Å
105Q92.1Very high91.7Very high146 Ų14666.6 Ų66.668%0.68233%0.33SS*.Hα-helixtrans-68.3-49.2177.7-176.9-179.9-19.200112.1S101 L102 L103S101-Q105 WeakPolarHBondContact O-CB 3.43Å; S101-Q105 PolarHBondContact O-N 2.78Å; S101-Q105 VanDerWaalsContact O-N 3.11Å; L102-Q105 PolarHBondContact O-N 3.01Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.33Å
106Q90Very high91.9Very high55 Ų5564.1 Ų64.126%0.25732%0.316SS..Hα-helixtrans-72.9-29.9-174.8-68.3-68.5-31.200113.1C63 L91 L102 L103C63-Q106 PolarHBondContact SG-O 3.3Å; C63-Q106 PolarHBondContact SG-OE1 2.95Å; L91-Q106 HydrophobicContact CD1-CB 4.15Å; L91-Q106 HydrophobicContact CD1-CG 4.24Å; L102-Q106 HydrophobicContact CD1-CG 3.9Å; L102-Q106 HydrophobicContact CG-CG 4.33Å; L102-Q106 WeakPolarHBondContact O-CB 2.99Å; L102-Q106 VanDerWaalsContact O-CG 3.26Å; L102-Q106 WeakPolarHBondContact O-CG 2.94Å; L102-Q106 PolarHBondContact O-N 2.81Å; L103-Q106 PolarHBondContact O-N 3.26Å
107L90.4Very high92Very high0 Ų059.5 Ų59.50%030%0.299CS..Hα-helixtrans-97.6-3.6-178.9-53.3176000113.1Y62 R84 I88 L103 L109 L115Y62-L107 WeakPolarHBondContact CD1-O 3.49Å; Y62-L107 VanDerWaalsContact CE1-O 3.26Å; Y62-L107 WeakPolarHBondContact CE1-O 3.38Å; R84-L107 HydrophobicContact CB-CD2 3.92Å; R84-L107 HydrophobicContact CG-CB 4.28Å; R84-L107 HydrophobicContact CG-CD2 4.07Å; R84-L107 PolarHBondContact NE-O 2.94Å; R84-L107 VanDerWaalsContact NE-O 3.08Å; R84-L107 PolarHBondContact NH2-O 3.32Å; I88-L107 HydrophobicContact CD1-CD1 3.79Å; I88-L107 HydrophobicContact CG1-CD1 3.74Å; I88-L107 HydrophobicContact CG1-CD2 4.21Å; L103-L107 HydrophobicContact CB-CD1 4.31Å; L103-L107 HydrophobicContact CD2-CD1 4.3Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 WeakPolarHBondContact O-CG 3.42Å; L103-L107 PolarHBondContact O-N 2.69Å; L107-L109 HydrophobicContact CB-CD1 3.81Å; L107-L109 HydrophobicContact CB-CG 3.89Å; L107-L109 HydrophobicContact CD1-CD1 4Å; L107-L115 HydrophobicContact CD1-CD1 3.92Å
108E89.1Confident92Very high98 Ų9857.1 Ų57.146%0.45828%0.283SS..THydrogen-bonded Turntrans45.261.5-171.6-164.1-173.2-146.700112.2Y62 K66 R84 L104Y62-E108 HydrophobicContact CE1-CB 3.98Å; K66-E108 WeakPolarHBondContact CD-OE2 3.43Å; K66-E108 VanDerWaalsContact CE-CD 3.45Å; K66-E108 WeakPolarHBondContact CE-OE2 3.39Å; K66-E108 IonicContact NZ-OE1 3.98Å; K66-E108 PolarHBondContact NZ-OE1 3.05Å; K66-E108 IonicContact NZ-OE2 2.69Å; K66-E108 PolarHBondContact NZ-OE2 3.13Å; R84-E108 PolarHBondContact NH2-O 3.31Å; L104-E108 VanDerWaalsContact O-CA 3.3Å; L104-E108 WeakPolarHBondContact O-CA 3.33Å; L104-E108 PolarHBondContact O-N 3.21Å; L104-E108 VanDerWaalsContact O-N 3.12Å
109L88.7Confident91.9Very high12 Ų1257.1 Ų57.16%0.06328%0.283CS..  trans-104.3137.2176.5-65170.2000109L104 L107 E114 L115 L118L104-L109 HydrophobicContact CD2-CB 3.74Å; L104-L109 PolarHBondContact O-N 2.94Å; L107-L109 HydrophobicContact CB-CD1 3.81Å; L107-L109 HydrophobicContact CB-CG 3.89Å; L107-L109 HydrophobicContact CD1-CD1 4Å; L109-E114 HydrophobicContact CD2-CB 4.34Å; L109-L115 HydrophobicContact CD1-CB 3.82Å; L109-L115 HydrophobicContact CD1-CD1 3.79Å; L109-L115 HydrophobicContact CD1-CG 4.42Å; L109-L118 HydrophobicContact CD1-CD1 3.66Å; L109-L118 HydrophobicContact CD2-CD1 3.78Å; L109-L118 HydrophobicContact CG-CD1 4.34Å
110K87.3Confident91.8Very high190 Ų19057.9 Ų57.983%0.82628%0.283SS*.SBendtrans-81.9-31.6-177.7-64.4179.7-178.9176.60111.7
111N90.8Very high91.7Very high83 Ų8361.7 Ų61.744%0.44430%0.301SS..  trans-128.8142-165.7-56.9-31000110.5R113 E114 L115N111-R113 PolarHBondContact O-N 3.43Å; N111-E114 HydrophobicContact CB-CG 4.3Å; N111-E114 PolarHBondContact ND2-OE1 3.02Å; N111-E114 PolarHBondContact O-N 3.26Å; N111-L115 PolarHBondContact O-N 3.23Å
112V91.4Very high91.6Very high54 Ų5457.7 Ų57.733%0.32727%0.273SS..Hα-helixtrans-60.9-33.8172.5178.70000111Y100 L104 E114 L115 E116Y100-V112 HydrophobicContact CD2-CG1 3.78Å; Y100-V112 HydrophobicContact CE2-CG1 3.81Å; L104-V112 HydrophobicContact CD1-CG2 4.29Å; V112-E114 PolarHBondContact O-N 2.91Å; V112-L115 WeakPolarHBondContact O-CB 3.45Å; V112-L115 PolarHBondContact O-N 3.31Å; V112-L115 VanDerWaalsContact O-N 3.17Å; V112-E116 HydrophobicContact CG1-CG 4.23Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.36Å; V112-E116 WeakPolarHBondContact O-CG 3.47Å; V112-E116 PolarHBondContact O-N 3.19Å
113R92.5Very high91.5Very high147 Ų14757.8 Ų57.856%0.55528%0.275SS*.Hα-helixtrans-61-44.9179.3-177.363.8-158.2172.2-2113N111 L115 E116 D117N111-R113 PolarHBondContact O-N 3.43Å; R113-L115 VanDerWaalsContact C-N 3.28Å; R113-L115 PolarHBondContact O-N 3.49Å; R113-E116 IonicContact NH1-OE2 3.43Å; R113-E116 PolarHBondContact NH1-OE2 2.93Å; R113-E116 PolarHBondContact O-N 2.85Å; R113-D117 IonicContact CZ-OD1 3.14Å; R113-D117 IonicContact CZ-OD2 3.83Å; R113-D117 IonicContact NE-OD1 3.27Å; R113-D117 PolarHBondContact NE-OD1 2.92Å; R113-D117 IonicContact NE-OD2 3.15Å; R113-D117 PolarHBondContact NE-OD2 3.32Å; R113-D117 VanDerWaalsContact NE-OD2 3.15Å; R113-D117 IonicContact NH2-OD1 2.7Å; R113-D117 PolarHBondContact NH2-OD1 3.13Å; R113-D117 IonicContact NH2-OD2 3.82Å; R113-D117 PolarHBondContact O-N 2.9Å
114E92.1Very high91.4Very high83 Ų8366.9 Ų66.939%0.38831%0.311SS..Hα-helixtrans-65.5-35.2177.4-69.5169-150.700111.4L109 N111 V112 L118L109-E114 HydrophobicContact CD2-CB 4.34Å; N111-E114 HydrophobicContact CB-CG 4.3Å; N111-E114 PolarHBondContact ND2-OE1 3.02Å; N111-E114 PolarHBondContact O-N 3.26Å; V112-E114 PolarHBondContact O-N 2.91Å; E114-L118 WeakPolarHBondContact O-CG 3.5Å; E114-L118 PolarHBondContact O-N 2.86Å; E114-L118 VanDerWaalsContact O-N 3.09Å
115L93.2Very high91.1Very high0 Ų067.5 Ų67.50%032%0.319CS..Hα-helixtrans-65.2-47.3173.6174.464.2000111.6Y100 L103 L104 L107 L109 N111 V112 R113 D117 L118 L119Y100-L115 HydrophobicContact CD1-CD2 4.08Å; Y100-L115 HydrophobicContact CD2-CD2 4.33Å; Y100-L115 HydrophobicContact CG-CD2 3.89Å; L103-L115 HydrophobicContact CB-CD1 3.74Å; L103-L115 HydrophobicContact CB-CD2 3.86Å; L103-L115 HydrophobicContact CB-CG 4.48Å; L103-L115 HydrophobicContact CD1-CD1 4.13Å; L103-L115 HydrophobicContact CD1-CD2 4.3Å; L103-L115 HydrophobicContact CG-CD1 4.5Å; L104-L115 HydrophobicContact CD2-CB 4.07Å; L104-L115 HydrophobicContact CD2-CD2 4.09Å; L104-L115 HydrophobicContact CG-CD2 4.1Å; L107-L115 HydrophobicContact CD1-CD1 3.92Å; L109-L115 HydrophobicContact CD1-CB 3.82Å; L109-L115 HydrophobicContact CD1-CD1 3.79Å; L109-L115 HydrophobicContact CD1-CG 4.42Å; N111-L115 PolarHBondContact O-N 3.23Å; V112-L115 WeakPolarHBondContact O-CB 3.45Å; V112-L115 PolarHBondContact O-N 3.31Å; V112-L115 VanDerWaalsContact O-N 3.17Å; R113-L115 VanDerWaalsContact C-N 3.28Å; R113-L115 PolarHBondContact O-N 3.49Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-D117 PolarHBondContact O-N 3.04Å; L115-L118 PolarHBondContact O-N 3.41Å; L115-L119 HydrophobicContact CD1-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CG 4.17Å; L115-L119 HydrophobicContact CG-CD1 3.98Å; L115-L119 HydrophobicContact CG-CG 4.45Å; L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 2.96Å
116E93.4Very high90.9Very high29 Ų2966 Ų6614%0.13632%0.315CS..Hα-helixtrans-60.4-44.3176.7-73.2172.3-163.300111.4V112 R113 L118 L119 I120 L132 Q134V112-E116 HydrophobicContact CG1-CG 4.23Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.36Å; V112-E116 WeakPolarHBondContact O-CG 3.47Å; V112-E116 PolarHBondContact O-N 3.19Å; R113-E116 IonicContact NH1-OE2 3.43Å; R113-E116 PolarHBondContact NH1-OE2 2.93Å; R113-E116 PolarHBondContact O-N 2.85Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.36Å; E116-L119 PolarHBondContact O-N 3.14Å; E116-I120 WeakPolarHBondContact O-CB 3.33Å; E116-I120 WeakPolarHBondContact O-CD1 3.44Å; E116-I120 WeakPolarHBondContact O-CG1 3.45Å; E116-I120 PolarHBondContact O-N 3.34Å; E116-L132 HydrophobicContact CB-CD2 4.36Å; E116-L132 HydrophobicContact CG-CD2 4.17Å; E116-Q134 PolarHBondContact OE1-NE2 3.47Å; E116-Q134 PolarHBondContact OE1-OE1 3.44Å
117D93.3Very high90.9Very high69 Ų6963.4 Ų63.437%0.36930%0.303SS..Hα-helixtrans-62.2-39.7179-71.9-33.5000111.3R113 L115 I120 E121R113-D117 IonicContact CZ-OD1 3.14Å; R113-D117 IonicContact CZ-OD2 3.83Å; R113-D117 IonicContact NE-OD1 3.27Å; R113-D117 PolarHBondContact NE-OD1 2.92Å; R113-D117 IonicContact NE-OD2 3.15Å; R113-D117 PolarHBondContact NE-OD2 3.32Å; R113-D117 VanDerWaalsContact NE-OD2 3.15Å; R113-D117 IonicContact NH2-OD1 2.7Å; R113-D117 PolarHBondContact NH2-OD1 3.13Å; R113-D117 IonicContact NH2-OD2 3.82Å; R113-D117 PolarHBondContact O-N 2.9Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-D117 PolarHBondContact O-N 3.04Å; D117-I120 PolarHBondContact O-N 2.82Å; D117-E121 WeakPolarHBondContact O-CB 3.49Å; D117-E121 PolarHBondContact O-N 3.36Å
118L92.3Very high90.9Very high9 Ų963.6 Ų63.65%0.04730%0.304CS..Hα-helixtrans-67.6-40.8173.4-75.8169.3000113N81 H85 L109 E114 L115 E116 I120 E121 A122N81-L118 HydrophobicContact CB-CD2 3.96Å; H85-L118 PolarHBondContact NE2-O 2.91Å; L109-L118 HydrophobicContact CD1-CD1 3.66Å; L109-L118 HydrophobicContact CD2-CD1 3.78Å; L109-L118 HydrophobicContact CG-CD1 4.34Å; E114-L118 WeakPolarHBondContact O-CG 3.5Å; E114-L118 PolarHBondContact O-N 2.86Å; E114-L118 VanDerWaalsContact O-N 3.09Å; L115-L118 PolarHBondContact O-N 3.41Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.36Å; L118-I120 VanDerWaalsContact C-N 3.33Å; L118-E121 PolarHBondContact O-N 3.47Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.41Å
119L92.5Very high91Very high0 Ų063.8 Ų63.80%031%0.305CS..Hα-helixtrans-65.1-40.6176.3-72.9171.1000111I88 Y100 L103 L115 E116 A122 V123 I128 L132 V139I88-L119 HydrophobicContact CD1-CD2 4.08Å; I88-L119 HydrophobicContact CG2-CD2 4.31Å; Y100-L119 HydrophobicContact CE1-CD1 4.38Å; L103-L119 HydrophobicContact CD1-CD1 4.37Å; L103-L119 HydrophobicContact CD1-CD2 4.49Å; L115-L119 HydrophobicContact CD1-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CG 4.17Å; L115-L119 HydrophobicContact CG-CD1 3.98Å; L115-L119 HydrophobicContact CG-CG 4.45Å; L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 2.96Å; E116-L119 PolarHBondContact O-N 3.14Å; L119-A122 PolarHBondContact O-N 3.46Å; L119-V123 WeakPolarHBondContact O-CG2 3.34Å; L119-V123 PolarHBondContact O-N 3.46Å; L119-I128 HydrophobicContact CD2-CD1 3.95Å; L119-L132 HydrophobicContact CB-CD2 4.17Å; L119-L132 HydrophobicContact CD1-CD2 4.21Å; L119-L132 HydrophobicContact CD1-CG 4.41Å; L119-V139 HydrophobicContact CD1-CB 4.26Å; L119-V139 HydrophobicContact CD1-CG1 4.27Å; L119-V139 HydrophobicContact CD2-CG1 4.27Å
120I93Very high91.2Very high64 Ų6464.3 Ų64.333%0.32831%0.313SS..Hα-helixtrans-62.1-48.3174.3-69.4163.7000109.4E116 D117 L118 A122 V123 Y124E116-I120 WeakPolarHBondContact O-CB 3.33Å; E116-I120 WeakPolarHBondContact O-CD1 3.44Å; E116-I120 WeakPolarHBondContact O-CG1 3.45Å; E116-I120 PolarHBondContact O-N 3.34Å; D117-I120 PolarHBondContact O-N 2.82Å; L118-I120 VanDerWaalsContact C-N 3.33Å; I120-A122 VanDerWaalsContact C-N 3.29Å; I120-A122 PolarHBondContact O-N 3.08Å; I120-V123 PolarHBondContact O-N 3.32Å; I120-V123 VanDerWaalsContact O-N 3.14Å; I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.54Å; I120-Y124 WeakPolarHBondContact O-CD2 3.45Å; I120-Y124 PolarHBondContact O-N 3.48Å
121E91.4Very high91.4Very high85 Ų8562.2 Ų62.240%0.39730%0.304SS..Hα-helixtrans-55.9-44.8176-170.6-179.6170.800111.6H85 D117 L118 V123 Y124 C125H85-E121 IonicContact CE1-OE1 2.78Å; H85-E121 IonicContact CE1-OE2 3.9Å; D117-E121 WeakPolarHBondContact O-CB 3.49Å; D117-E121 PolarHBondContact O-N 3.36Å; L118-E121 PolarHBondContact O-N 3.47Å; E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 PolarHBondContact O-N 3.19Å; E121-Y124 PolarHBondContact O-N 3.48Å; E121-C125 PolarHBondContact O-N 3.16Å; E121-C125 PolarHBondContact O-SG 2.99Å
122A90.8Very high91.5Very high1 Ų161.3 Ų61.31%0.00830%0.299CS..Hα-helixtrans-63.8-36.6178.200000113.3L118 L119 I120 I127 I128L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.41Å; L119-A122 PolarHBondContact O-N 3.46Å; I120-A122 VanDerWaalsContact C-N 3.29Å; I120-A122 PolarHBondContact O-N 3.08Å; A122-I127 HydrophobicContact CB-CB 4.43Å; A122-I127 HydrophobicContact CB-CD1 4.19Å; A122-I127 WeakPolarHBondContact O-CB 3.38Å; A122-I127 PolarHBondContact O-N 3.46Å; A122-I128 HydrophobicContact CB-CD1 3.84Å; A122-I128 HydrophobicContact CB-CG1 3.8Å; A122-I128 PolarHBondContact O-N 2.85Å
123V91.4Very high91.6Very high47 Ų4760.6 Ų60.629%0.28529%0.293SS..Hα-helixtrans-68.1-42.5172.8173.20000111.1L119 I120 E121 C125 D126 I128L119-V123 WeakPolarHBondContact O-CG2 3.34Å; L119-V123 PolarHBondContact O-N 3.46Å; I120-V123 PolarHBondContact O-N 3.32Å; I120-V123 VanDerWaalsContact O-N 3.14Å; E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 PolarHBondContact O-N 3.19Å; V123-C125 VanDerWaalsContact C-N 3.25Å; V123-C125 PolarHBondContact O-N 3.18Å; V123-D126 PolarHBondContact O-N 2.94Å; V123-I128 WeakPolarHBondContact CA-O 3.12Å; V123-I128 HydrophobicContact CG2-CD1 4.1Å; V123-I128 HydrophobicContact CG2-CG1 3.77Å
124Y90.3Very high91.5Very high191 Ų19158.4 Ų58.475%0.74929%0.289SS*.Hα-helixtrans-66-28.6179-91.4-107.2000113I120 E121 D126I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.54Å; I120-Y124 WeakPolarHBondContact O-CD2 3.45Å; I120-Y124 PolarHBondContact O-N 3.48Å; E121-Y124 PolarHBondContact O-N 3.48Å; Y124-D126 VanDerWaalsContact C-N 3.26Å
125C87.3Confident91.5Very high55 Ų5565.2 Ų65.237%0.37231%0.312SS..THydrogen-bonded Turntrans-85.99.2173.7-69.10000113.6E121 V123 I127E121-C125 PolarHBondContact O-N 3.16Å; E121-C125 PolarHBondContact O-SG 2.99Å; V123-C125 VanDerWaalsContact C-N 3.25Å; V123-C125 PolarHBondContact O-N 3.18Å; C125-I127 HydrophobicContact CB-CD1 3.77Å; C125-I127 HydrophobicContact CB-CG1 3.68Å; C125-I127 PolarHBondContact O-N 2.97Å; C125-I127 VanDerWaalsContact O-N 3.12Å
126D88.4Confident91.4Very high113 Ų11369.8 Ų69.860%0.60434%0.336SS*.THydrogen-bonded Turntrans5525.8-177.1-68-49.2000114V123 Y124 V145V123-D126 PolarHBondContact O-N 2.94Å; Y124-D126 VanDerWaalsContact C-N 3.26Å; D126-V145 VanDerWaalsContact O-CG2 3.26Å; D126-V145 WeakPolarHBondContact O-CG2 3.38Å
127I89Confident91.4Very high2 Ų274.6 Ų74.61%0.0136%0.358CS..SBendtrans-78-42.7179.7-53.7170.2000110.1Y28 H85 I89 A122 C125 S144 V145Y28-I127 HydrophobicContact CD2-CG1 4.35Å; Y28-I127 HydrophobicContact CE1-CD1 3.76Å; Y28-I127 HydrophobicContact CE1-CG1 4.49Å; Y28-I127 HydrophobicContact CE2-CD1 3.67Å; Y28-I127 HydrophobicContact CE2-CG1 3.74Å; Y28-I127 WeakPolarHBondContact OH-CD1 3.46Å; H85-I127 HydrophobicContact CB-CD1 4.03Å; I89-I127 HydrophobicContact CD1-CG2 3.26Å; I89-I127 HydrophobicContact CG1-CG2 3.54Å; A122-I127 HydrophobicContact CB-CB 4.43Å; A122-I127 HydrophobicContact CB-CD1 4.19Å; A122-I127 WeakPolarHBondContact O-CB 3.38Å; A122-I127 PolarHBondContact O-N 3.46Å; C125-I127 HydrophobicContact CB-CD1 3.77Å; C125-I127 HydrophobicContact CB-CG1 3.68Å; C125-I127 PolarHBondContact O-N 2.97Å; C125-I127 VanDerWaalsContact O-N 3.12Å; I127-S144 CarbonylContact O-C 3.39Å; I127-S144 WeakPolarHBondContact O-CA 3.48Å; I127-V145 PolarHBondContact O-N 3.07Å
128I91.2Very high91.5Very high3 Ų373.3 Ų73.32%0.01535%0.35CS..EExtended strand (participates in β ladder)trans-127139.3177.861.6173.5000108.6I88 L119 A122 V123I88-I128 HydrophobicContact CG2-CD1 4.42Å; I88-I128 HydrophobicContact CG2-CG2 4.4Å; L119-I128 HydrophobicContact CD2-CD1 3.95Å; A122-I128 HydrophobicContact CB-CD1 3.84Å; A122-I128 HydrophobicContact CB-CG1 3.8Å; A122-I128 PolarHBondContact O-N 2.85Å; V123-I128 WeakPolarHBondContact CA-O 3.12Å; V123-I128 HydrophobicContact CG2-CD1 4.1Å; V123-I128 HydrophobicContact CG2-CG1 3.77Å
129Q91.8Very high91.5Very high103 Ų10373 Ų7348%0.48135%0.348SS..EExtended strand (participates in β ladder)trans-111.9129.7166.5-56.6-177.2-10.300107.3D142 C143Q129-D142 PolarHBondContact O-N 2.85Å; Q129-C143 WeakPolarHBondContact CB-SG 3.41Å; Q129-C143 WeakPolarHBondContact CG-SG 3.47Å; Q129-C143 PolarHBondContact N-O 3.32Å; Q129-C143 PolarHBondContact O-N 2.75Å; Q129-C143 PolarHBondContact OE1-SG 2.83Å
130G91.4Very high91.6Very high23 Ų2376.6 Ų76.624%0.23737%0.365CS..EExtended strand (participates in β ladder)trans173.7-176.1-173.600000113E140G130-E140 CarbonylContact C-O 3.56Å; G130-E140 WeakPolarHBondContact CA-O 3.32Å
131K92.1Very high91.6Very high146 Ų14674 Ų7464%0.63535%0.352SS*.EExtended strand (participates in β ladder)trans-129.4137-178.7-66177-174165.80110.6E140K131-E140 PolarHBondContact N-O 3.25Å; K131-E140 PolarHBondContact O-N 3.49Å
132L93.5Very high91.6Very high64 Ų6475.5 Ų75.534%0.33536%0.363SS..EExtended strand (participates in β ladder)trans-84.9119.6173.2-72.275.3000108.4E116 L119 V139E116-L132 HydrophobicContact CB-CD2 4.36Å; E116-L132 HydrophobicContact CG-CD2 4.17Å; L119-L132 HydrophobicContact CB-CD2 4.17Å; L119-L132 HydrophobicContact CD1-CD2 4.21Å; L119-L132 HydrophobicContact CD1-CG 4.41Å; L132-V139 HydrophobicContact CD1-CG2 4.4Å; L132-V139 HydrophobicContact CG-CG2 4.35Å
133D92.6Very high91.5Very high39 Ų3978.1 Ų78.121%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-10491.4173.1-176.6-7.2000109.8R135 N136 Q137 Q138D133-R135 PolarHBondContact O-N 2.82Å; D133-R135 WeakPolarHBondContact OD1-CB 3.39Å; D133-R135 PolarHBondContact OD1-N 2.81Å; D133-N136 PolarHBondContact O-N 3.31Å; D133-N136 PolarHBondContact OD1-N 2.84Å; D133-N136 VanDerWaalsContact OD1-N 3.11Å; D133-N136 WeakPolarHBondContact OD2-CB 3.35Å; D133-N136 PolarHBondContact OD2-ND2 3.33Å; D133-Q137 WeakPolarHBondContact O-CA 3.39Å; D133-Q137 PolarHBondContact O-N 3.02Å; D133-Q138 CarbonylContact C-O 3.52Å; D133-Q138 WeakPolarHBondContact CA-O 3.5Å; D133-Q138 HydrophobicContact CB-CG 3.99Å; D133-Q138 PolarHBondContact N-O 3.32Å; D133-Q138 PolarHBondContact O-N 3.14Å
134Q90.6Very high91.3Very high101 Ų10177.9 Ų77.947%0.47238%0.381SS..THydrogen-bonded Turntrans-64.7-28.4179.2-165.466-1.700113.1Y100 E116 Q137Y100-Q134 VanDerWaalsContact CE2-OE1 3.28Å; Y100-Q134 PolarHBondContact OH-OE1 3.1Å; E116-Q134 PolarHBondContact OE1-NE2 3.47Å; E116-Q134 PolarHBondContact OE1-OE1 3.44Å; Q134-Q137 PolarHBondContact O-N 2.96Å
135R92.3Very high91.2Very high226 Ų22671.6 Ų71.685%0.85336%0.363SS*.THydrogen-bonded Turntrans-70-43.7-177.1177.1-178.3172.6176-1.6110.5D133D133-R135 PolarHBondContact O-N 2.82Å; D133-R135 WeakPolarHBondContact OD1-CB 3.39Å; D133-R135 PolarHBondContact OD1-N 2.81Å
136N91.7Very high91Very high95 Ų9571.7 Ų71.751%0.50837%0.373SS..THydrogen-bonded Turntrans-92.61.9178.9-64.4-42000113.1D133 Q138D133-N136 PolarHBondContact O-N 3.31Å; D133-N136 PolarHBondContact OD1-N 2.84Å; D133-N136 VanDerWaalsContact OD1-N 3.11Å; D133-N136 WeakPolarHBondContact OD2-CB 3.35Å; D133-N136 PolarHBondContact OD2-ND2 3.33Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 HydrophobicContact CB-CG 3.94Å; N136-Q138 PolarHBondContact O-N 3.5Å
137Q93.2Very high90.9Very high130 Ų13068.5 Ų68.561%0.60735%0.352SS*.THydrogen-bonded Turntrans53.847.4-178.7-58.6-176-12.100112.2Y100 D133 Q134Y100-Q137 WeakPolarHBondContact CB-O 3.34Å; Y100-Q137 WeakPolarHBondContact CD1-O 3.4Å; Y100-Q137 HydrophobicContact CD2-CB 4.21Å; Y100-Q137 HydrophobicContact CG-CB 4.3Å; Y100-Q137 PolarHBondContact N-O 3.23Å; D133-Q137 WeakPolarHBondContact O-CA 3.39Å; D133-Q137 PolarHBondContact O-N 3.02Å; Q134-Q137 PolarHBondContact O-N 2.96Å
138Q93.9Very high90.5Very high43 Ų4368.8 Ų68.820%0.20135%0.354CS..EExtended strand (participates in β ladder)trans-141.3158.3-17966.1-174.64.800111.3L98 D133 N136L98-Q138 CarbonylContact O-C 3.58Å; L98-Q138 VanDerWaalsContact O-CA 3.28Å; L98-Q138 WeakPolarHBondContact O-CA 3.46Å; D133-Q138 CarbonylContact C-O 3.52Å; D133-Q138 WeakPolarHBondContact CA-O 3.5Å; D133-Q138 HydrophobicContact CB-CG 3.99Å; D133-Q138 PolarHBondContact N-O 3.32Å; D133-Q138 PolarHBondContact O-N 3.14Å; N136-Q138 VanDerWaalsContact C-N 3.32Å; N136-Q138 HydrophobicContact CB-CG 3.94Å; N136-Q138 PolarHBondContact O-N 3.5Å
139V93.8Very high89.8Confident1 Ų173.3 Ų73.31%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-112.5127.616760.70000108.7C97 L98 Y100 L103 L119 L132 V141C97-V139 WeakPolarHBondContact CA-O 3.46Å; L98-V139 HydrophobicContact CB-CG1 3.66Å; L98-V139 HydrophobicContact CD1-CG1 4.25Å; L98-V139 HydrophobicContact CG-CG1 4.47Å; L98-V139 PolarHBondContact N-O 3.17Å; L98-V139 PolarHBondContact O-N 3.27Å; Y100-V139 HydrophobicContact CE1-CB 4.33Å; L103-V139 HydrophobicContact CD1-CG1 3.75Å; L119-V139 HydrophobicContact CD1-CB 4.26Å; L119-V139 HydrophobicContact CD1-CG1 4.27Å; L119-V139 HydrophobicContact CD2-CG1 4.27Å; L132-V139 HydrophobicContact CD1-CG2 4.4Å; L132-V139 HydrophobicContact CG-CG2 4.35Å; V139-V141 HydrophobicContact CG1-CG2 4.48Å; V139-V141 HydrophobicContact CG2-CG2 4.41Å
140E94Very high88.9Confident76 Ų7669 Ų6936%0.35536%0.36SS..EExtended strand (participates in β ladder)trans-91.4118173.3-64.5-176.9174.500107.7G130 K131G130-E140 CarbonylContact C-O 3.56Å; G130-E140 WeakPolarHBondContact CA-O 3.32Å; K131-E140 PolarHBondContact N-O 3.25Å; K131-E140 PolarHBondContact O-N 3.49Å
141V93.9Very high87.8Confident10 Ų1073.2 Ų73.26%0.06138%0.384CS..EExtended strand (participates in β ladder)trans-102.8117.1179.4-173.40000108.6A92 K96 L98 V139 C143A92-V141 HydrophobicContact CB-CB 4.23Å; A92-V141 HydrophobicContact CB-CG1 3.93Å; A92-V141 HydrophobicContact CB-CG2 4.17Å; K96-V141 PolarHBondContact O-N 3.44Å; L98-V141 HydrophobicContact CD1-CG2 3.98Å; V139-V141 HydrophobicContact CG1-CG2 4.48Å; V139-V141 HydrophobicContact CG2-CG2 4.41Å; V141-C143 WeakPolarHBondContact CG1-O 3.48Å
142D90.7Very high87Confident117 Ų11773.1 Ų73.163%0.62639%0.39SS*.EExtended strand (participates in β ladder)trans-82.2-45.8177.8-69.8-41.3000110.6Q129Q129-D142 PolarHBondContact O-N 2.85Å
143C87.4Confident86.3Confident56 Ų5674.4 Ų74.438%0.37840%0.395SS..EExtended strand (participates in β ladder)trans-149.9157.7172.475.80000111.3Q129 V141Q129-C143 WeakPolarHBondContact CB-SG 3.41Å; Q129-C143 WeakPolarHBondContact CG-SG 3.47Å; Q129-C143 PolarHBondContact N-O 3.32Å; Q129-C143 PolarHBondContact O-N 2.75Å; Q129-C143 PolarHBondContact OE1-SG 2.83Å; V141-C143 WeakPolarHBondContact CG1-O 3.48Å
144S89.1Confident86Confident41 Ų4177.5 Ų77.529%0.28741%0.411SS..EExtended strand (participates in β ladder)trans-134.6151.1173.858.50000109.5I127I127-S144 CarbonylContact O-C 3.39Å; I127-S144 WeakPolarHBondContact O-CA 3.48Å
145V87.9Confident86Confident60 Ų6076.1 Ų76.136%0.36441%0.41SS..PPolyproline II helixtrans-60.6142169.61760000109.2I89 D126 I127 R147I89-V145 WeakPolarHBondContact CG2-O 3.32Å; D126-V145 VanDerWaalsContact O-CG2 3.26Å; D126-V145 WeakPolarHBondContact O-CG2 3.38Å; I127-V145 PolarHBondContact O-N 3.07Å; V145-R147 PolarHBondContact O-N 3.09Å
146G82.8Confident85.8Confident57 Ų5770 Ų7059%0.58840%0.395SS*.PPolyproline II helixtrans-66.7129.6174.700000110.7
147R85.1Confident85.7Confident46 Ų4668.3 Ų68.317%0.17439%0.385CS..PPolyproline II helixtrans-84.1164.5167-164.317670154.93.3110.1Y59 G60 L86 I89 S90 V145 L149Y59-R147 PolarHBondContact O-NH1 2.7Å; Y59-R147 PolarHBondContact O-NH2 2.69Å; G60-R147 PolarHBondContact O-NH1 2.98Å; L86-R147 HydrophobicContact CD2-CG 4.08Å; I89-R147 HydrophobicContact CG2-CB 4.18Å; S90-R147 PolarHBondContact OG-NE 3.49Å; S90-R147 PolarHBondContact OG-NH1 2.76Å; S90-R147 PolarHBondContact OG-NH2 3.45Å; V145-R147 PolarHBondContact O-N 3.09Å; R147-L149 PolarHBondContact O-N 3.47Å
148D81.8Confident85.6Confident8 Ų866.8 Ų66.84%0.04338%0.38CS..  trans-46132.2168.6-65.8-58.4000112.4V29 F30 S31 A58 Y59V29-D148 WeakPolarHBondContact CG1-OD1 3.36Å; F30-D148 PolarHBondContact N-OD1 3.44Å; F30-D148 PolarHBondContact N-OD2 2.94Å; S31-D148 VanDerWaalsContact CB-OD1 3.27Å; S31-D148 WeakPolarHBondContact CB-OD1 3.36Å; S31-D148 PolarHBondContact N-OD1 2.82Å; S31-D148 VanDerWaalsContact OG-CB 3.27Å; S31-D148 WeakPolarHBondContact OG-CB 3.5Å; S31-D148 PolarHBondContact OG-OD1 2.92Å; S31-D148 VanDerWaalsContact OG-OD1 3.05Å; A58-D148 WeakPolarHBondContact CA-OD2 3.07Å; A58-D148 HydrophobicContact CB-CB 4.11Å; A58-D148 WeakPolarHBondContact O-CB 3.5Å; Y59-D148 HydrophobicContact CD1-CB 4.27Å; Y59-D148 HydrophobicContact CE1-CB 3.97Å
149L75.8Confident85.6Confident97 Ų9769.1 Ų69.151%0.50839%0.394SS..  trans-92.2125.6-179.6-64.6177.3000109.9Y59 R147 I157Y59-L149 WeakPolarHBondContact CE1-O 3.41Å; R147-L149 PolarHBondContact O-N 3.47Å; L149-I157 HydrophobicContact CD1-CD1 3.93Å; L149-I157 HydrophobicContact CD2-CD1 3.74Å; L149-I157 HydrophobicContact CG-CD1 4.47Å
150G72.4Confident85.6Confident12 Ų1272.3 Ų72.312%0.12441%0.414CS..  trans-66.4151.417100000111.3N152 E153G150-N152 PolarHBondContact O-N 3.42Å; G150-E153 PolarHBondContact O-N 3.2Å
151P69.3Low85.6Confident113 Ų11373.1 Ų73.173%0.73442%0.42SS*.THydrogen-bonded Turntrans-59.6-21179.722-32.5000113.6
152N74.4Confident85.7Confident143 Ų14378 Ų7877%0.76544%0.442SS*.THydrogen-bonded Turntrans-94-4.6179.7-61.7-31.3000113.9G150G150-N152 PolarHBondContact O-N 3.42Å
153E80.3Confident86Confident92 Ų9279 Ų7943%0.4344%0.443SS..THydrogen-bonded Turntrans-92.6-19.5-175.3-60.6-159.4125.500113.1G150 N156 I157G150-E153 PolarHBondContact O-N 3.2Å; E153-N156 WeakPolarHBondContact O-CB 3.26Å; E153-N156 PolarHBondContact O-N 3.34Å; E153-N156 VanDerWaalsContact O-N 3.08Å; E153-I157 WeakPolarHBondContact O-CG1 3.49Å; E153-I157 PolarHBondContact O-N 3.47Å
154L86.7Confident86.4Confident103 Ų10384.8 Ų84.854%0.53946%0.457SS..Hα-helixtrans-58.1-45.2178.5-177.466.1000113.4N156 I157 I158L154-N156 VanDerWaalsContact C-N 3.26Å; L154-N156 PolarHBondContact O-N 2.93Å; L154-I157 PolarHBondContact O-N 2.95Å; L154-I158 HydrophobicContact CG-CD1 4.25Å; L154-I158 WeakPolarHBondContact O-CG1 3.49Å; L154-I158 PolarHBondContact O-N 3.38Å
155P89.5Confident86.8Confident72 Ų7285.6 Ų85.647%0.46846%0.462SS..Hα-helixtrans-61.5-34.1175-22.534.5000113.1I158 N159P155-I158 PolarHBondContact O-N 3.46Å; P155-N159 WeakPolarHBondContact O-CB 3.38Å; P155-N159 VanDerWaalsContact O-CG 3.25Å; P155-N159 PolarHBondContact O-N 3.25Å; P155-N159 PolarHBondContact O-ND2 3.06Å
156N88.4Confident87.2Confident98 Ų9886 Ų8652%0.52447%0.465SS..Hα-helixtrans-66.6-41.7177.5-171.644.3000111.4E153 L154 I158 N159 T160E153-N156 WeakPolarHBondContact O-CB 3.26Å; E153-N156 PolarHBondContact O-N 3.34Å; E153-N156 VanDerWaalsContact O-N 3.08Å; L154-N156 VanDerWaalsContact C-N 3.26Å; L154-N156 PolarHBondContact O-N 2.93Å; N156-I158 VanDerWaalsContact C-N 3.34Å; N156-I158 PolarHBondContact O-N 3.05Å; N156-N159 PolarHBondContact O-N 3.03Å; N156-T160 WeakPolarHBondContact O-CG2 3.22Å; N156-T160 PolarHBondContact O-N 3.32Å; N156-T160 PolarHBondContact O-OG1 3.18Å
157I88.7Confident87.9Confident59 Ų5985 Ų8530%0.30346%0.455SS..Hα-helixtrans-61.8-44174.7-63.7167.7000110.7L149 E153 L154 N159 T160 L161L149-I157 HydrophobicContact CD1-CD1 3.93Å; L149-I157 HydrophobicContact CD2-CD1 3.74Å; L149-I157 HydrophobicContact CG-CD1 4.47Å; E153-I157 WeakPolarHBondContact O-CG1 3.49Å; E153-I157 PolarHBondContact O-N 3.47Å; L154-I157 PolarHBondContact O-N 2.95Å; I157-N159 VanDerWaalsContact C-N 3.35Å; I157-N159 PolarHBondContact O-N 3.48Å; I157-T160 WeakPolarHBondContact CA-OG1 3.44Å; I157-T160 PolarHBondContact O-N 2.94Å; I157-T160 PolarHBondContact O-OG1 3.33Å; I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 HydrophobicContact CG2-CG 4.47Å; I157-L161 WeakPolarHBondContact O-CB 3.43Å; I157-L161 WeakPolarHBondContact O-CG 3.39Å; I157-L161 PolarHBondContact O-N 3.07Å
158I91.9Very high88.5Confident99 Ų9985.5 Ų85.551%0.50847%0.465SS..Hα-helixtrans-60.8-46.2177.4-66.5166.9000110.6L154 P155 N156 L161 Q162L154-I158 HydrophobicContact CG-CD1 4.25Å; L154-I158 WeakPolarHBondContact O-CG1 3.49Å; L154-I158 PolarHBondContact O-N 3.38Å; P155-I158 PolarHBondContact O-N 3.46Å; N156-I158 VanDerWaalsContact C-N 3.34Å; N156-I158 PolarHBondContact O-N 3.05Å; I158-L161 PolarHBondContact O-N 3.45Å; I158-Q162 WeakPolarHBondContact O-CB 3.14Å; I158-Q162 PolarHBondContact O-N 3.37Å
159N94.4Very high89.3Confident91 Ų9191 Ų9149%0.48749%0.49SS..Hα-helixtrans-63.2-46.9-179.8-72.3-20000112.1P155 N156 I157 L161 Q162 E163P155-N159 WeakPolarHBondContact O-CB 3.38Å; P155-N159 VanDerWaalsContact O-CG 3.25Å; P155-N159 PolarHBondContact O-N 3.25Å; P155-N159 PolarHBondContact O-ND2 3.06Å; N156-N159 PolarHBondContact O-N 3.03Å; I157-N159 VanDerWaalsContact C-N 3.35Å; I157-N159 PolarHBondContact O-N 3.48Å; N159-L161 PolarHBondContact O-N 3.44Å; N159-Q162 WeakPolarHBondContact O-CB 3.48Å; N159-Q162 PolarHBondContact O-N 2.97Å; N159-E163 WeakPolarHBondContact O-CG 3.4Å; N159-E163 PolarHBondContact O-N 3.22Å
160T92.4Very high90.3Very high69 Ų6989.4 Ų89.442%0.42349%0.491SS..Hα-helixtrans-62.6-39.917951.50000112.6N156 I157 E163 W164N156-T160 WeakPolarHBondContact O-CG2 3.22Å; N156-T160 PolarHBondContact O-N 3.32Å; N156-T160 PolarHBondContact O-OG1 3.18Å; I157-T160 WeakPolarHBondContact CA-OG1 3.44Å; I157-T160 PolarHBondContact O-N 2.94Å; I157-T160 PolarHBondContact O-OG1 3.33Å; T160-E163 PolarHBondContact O-N 3.12Å; T160-W164 WeakPolarHBondContact O-CB 3.34Å; T160-W164 PolarHBondContact O-N 3.22Å
161L94.3Very high91.5Very high93 Ų9393.3 Ų93.349%0.48751%0.512SS..Hα-helixtrans-65-41.6173.6-71.6174.2000111.8I157 I158 N159 W164 C165I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 HydrophobicContact CG2-CG 4.47Å; I157-L161 WeakPolarHBondContact O-CB 3.43Å; I157-L161 WeakPolarHBondContact O-CG 3.39Å; I157-L161 PolarHBondContact O-N 3.07Å; I158-L161 PolarHBondContact O-N 3.45Å; N159-L161 PolarHBondContact O-N 3.44Å; L161-W164 PolarHBondContact O-N 2.93Å; L161-C165 PolarHBondContact O-N 3.03Å; L161-C165 PolarHBondContact O-SG 3.34Å; L161-C165 VanDerWaalsContact O-SG 3.33Å
162Q96.4Very high92.9Very high111 Ų11192.8 Ų92.852%0.51950%0.502SS..Hα-helixtrans-63.7-44.6177.4-17560.149.300111.5I158 N159 W164 C165 T166I158-Q162 WeakPolarHBondContact O-CB 3.14Å; I158-Q162 PolarHBondContact O-N 3.37Å; N159-Q162 WeakPolarHBondContact O-CB 3.48Å; N159-Q162 PolarHBondContact O-N 2.97Å; Q162-W164 VanDerWaalsContact C-N 3.3Å; Q162-W164 PolarHBondContact O-N 3.29Å; Q162-C165 PolarHBondContact O-N 3.37Å; Q162-T166 PolarHBondContact NE2-OG1 3.43Å; Q162-T166 WeakPolarHBondContact O-CB 3.47Å; Q162-T166 PolarHBondContact O-N 2.92Å; Q162-T166 PolarHBondContact O-OG1 2.94Å; Q162-T166 VanDerWaalsContact O-OG1 3.13Å
163E96.9Very high93.9Very high140 Ų14089.7 Ų89.765%0.65449%0.491SS*.Hα-helixtrans-58.8-42.2174.8-75.9176.4-172.300111.6N159 T160 G167N159-E163 WeakPolarHBondContact O-CG 3.4Å; N159-E163 PolarHBondContact O-N 3.22Å; T160-E163 PolarHBondContact O-N 3.12Å; E163-G167 PolarHBondContact O-N 2.93Å
164W96.6Very high94.8Very high176 Ų17686.6 Ų86.667%0.66748%0.484SS*.Hα-helixtrans-65.6-45.3177.2-176.747.7000112.5T160 L161 Q162 G167 C168T160-W164 WeakPolarHBondContact O-CB 3.34Å; T160-W164 PolarHBondContact O-N 3.22Å; L161-W164 PolarHBondContact O-N 2.93Å; Q162-W164 VanDerWaalsContact C-N 3.3Å; Q162-W164 PolarHBondContact O-N 3.29Å; W164-G167 PolarHBondContact O-N 3.16Å; W164-C168 PolarHBondContact O-N 2.8Å; W164-C168 PolarHBondContact O-SG 3.11Å
165C96.7Very high95.3Very high58 Ų5886.3 Ų86.339%0.39248%0.482SS..Hα-helixtrans-58.2-51174.8-73.10000111.4L161 Q162 G167 C168 E169L161-C165 PolarHBondContact O-N 3.03Å; L161-C165 PolarHBondContact O-SG 3.34Å; L161-C165 VanDerWaalsContact O-SG 3.33Å; Q162-C165 PolarHBondContact O-N 3.37Å; C165-G167 VanDerWaalsContact C-N 3.29Å; C165-G167 PolarHBondContact O-N 3.4Å; C165-C168 WeakPolarHBondContact O-CB 3.31Å; C165-C168 PolarHBondContact O-N 3Å; C165-C168 VanDerWaalsContact O-N 3.11Å; C165-E169 WeakPolarHBondContact O-CG 3.4Å; C165-E169 PolarHBondContact O-N 3.44Å
166T97.3Very high95.6Very high69 Ų6989.2 Ų89.242%0.42349%0.489SS..Hα-helixtrans-62.3-37.1178.4-62.40000111.8Q162 E169 A170Q162-T166 PolarHBondContact NE2-OG1 3.43Å; Q162-T166 WeakPolarHBondContact O-CB 3.47Å; Q162-T166 PolarHBondContact O-N 2.92Å; Q162-T166 PolarHBondContact O-OG1 2.94Å; Q162-T166 VanDerWaalsContact O-OG1 3.13Å; T166-E169 PolarHBondContact O-N 3.35Å; T166-A170 WeakPolarHBondContact O-CB 3.42Å; T166-A170 PolarHBondContact O-N 2.99Å
167G97.4Very high96.1Very high37 Ų3790.4 Ų90.438%0.38149%0.492SS..Hα-helixtrans-61.5-43.1172.700000112.7E163 W164 C165 A170 V171E163-G167 PolarHBondContact O-N 2.93Å; W164-G167 PolarHBondContact O-N 3.16Å; C165-G167 VanDerWaalsContact C-N 3.29Å; C165-G167 PolarHBondContact O-N 3.4Å; G167-A170 PolarHBondContact O-N 3.06Å; G167-V171 WeakPolarHBondContact O-CG2 2.77Å; G167-V171 PolarHBondContact O-N 3.46Å; G167-V171 VanDerWaalsContact O-N 3.1Å
168C97.5Very high96.5Very high56 Ų5692.7 Ų92.738%0.37850%0.501SS..Hα-helixtrans-66-43.6177-66.20000111.7W164 C165 A170 V171 L172W164-C168 PolarHBondContact O-N 2.8Å; W164-C168 PolarHBondContact O-SG 3.11Å; C165-C168 WeakPolarHBondContact O-CB 3.31Å; C165-C168 PolarHBondContact O-N 3Å; C165-C168 VanDerWaalsContact O-N 3.11Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 3.44Å; C168-V171 PolarHBondContact O-N 2.98Å; C168-L172 WeakPolarHBondContact O-CB 3.19Å; C168-L172 VanDerWaalsContact O-CG 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.33Å; C168-L172 PolarHBondContact O-N 3.08Å
169E97.3Very high96.7Very high124 Ų12491.8 Ų91.858%0.57950%0.5SS*.Hα-helixtrans-60.7-42.1175.6-72.1173.3177.600112C165 T166 V171 L172 C173C165-E169 WeakPolarHBondContact O-CG 3.4Å; C165-E169 PolarHBondContact O-N 3.44Å; T166-E169 PolarHBondContact O-N 3.35Å; E169-V171 PolarHBondContact O-N 2.95Å; E169-L172 PolarHBondContact O-N 2.61Å; E169-C173 VanDerWaalsContact O-CB 3.28Å; E169-C173 WeakPolarHBondContact O-CB 3.31Å; E169-C173 PolarHBondContact O-N 3.07Å
170A97.3Very high96.9Very high63 Ų6390.1 Ų90.152%0.52150%0.495SS..Hα-helixtrans-63-42.7177.100000112.1T166 G167 C168 G174T166-A170 WeakPolarHBondContact O-CB 3.42Å; T166-A170 PolarHBondContact O-N 2.99Å; G167-A170 PolarHBondContact O-N 3.06Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 3.44Å; A170-G174 PolarHBondContact O-N 3.11Å
171V98.1Very high97.1Very high94 Ų9495 Ų9557%0.5751%0.506SS*.Hα-helixtrans-65.3-43.8176.2172.40000111.1G167 C168 E169 G174 I175G167-V171 WeakPolarHBondContact O-CG2 2.77Å; G167-V171 PolarHBondContact O-N 3.46Å; G167-V171 VanDerWaalsContact O-N 3.1Å; C168-V171 PolarHBondContact O-N 2.98Å; E169-V171 PolarHBondContact O-N 2.95Å; V171-G174 PolarHBondContact O-N 2.99Å; V171-I175 HydrophobicContact CG1-CD1 3.96Å; V171-I175 VanDerWaalsContact O-CG1 3.32Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 3.01Å
172L97.6Very high97.3Very high101 Ų10193.4 Ų93.453%0.52951%0.506SS..Hα-helixtrans-61.4-47.9177.1-73170.8000111.6C168 E169 G174 I175 E176C168-L172 WeakPolarHBondContact O-CB 3.19Å; C168-L172 VanDerWaalsContact O-CG 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.33Å; C168-L172 PolarHBondContact O-N 3.08Å; E169-L172 PolarHBondContact O-N 2.61Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.4Å; L172-I175 PolarHBondContact O-N 2.71Å; L172-I175 VanDerWaalsContact O-N 3.13Å; L172-E176 WeakPolarHBondContact O-CG 2.92Å; L172-E176 PolarHBondContact O-N 2.95Å
173C97.1Very high97.3Very high78 Ų7892.2 Ų92.253%0.52750%0.503SS..Hα-helixtrans-58.9-43.4175.9-175.20000111.4E169 I175 E176 E177E169-C173 VanDerWaalsContact O-CB 3.28Å; E169-C173 WeakPolarHBondContact O-CB 3.31Å; E169-C173 PolarHBondContact O-N 3.07Å; C173-I175 VanDerWaalsContact C-N 3.34Å; C173-I175 PolarHBondContact O-N 3.45Å; C173-E176 PolarHBondContact O-N 3.17Å; C173-E177 PolarHBondContact O-N 3Å
174G97.5Very high97.3Very high28 Ų2891.4 Ų91.429%0.28950%0.499SS..Hα-helixtrans-60-41.4174.900000112.8A170 V171 L172 E177 Q178A170-G174 PolarHBondContact O-N 3.11Å; V171-G174 PolarHBondContact O-N 2.99Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.4Å; G174-E177 PolarHBondContact O-N 2.78Å; G174-Q178 WeakPolarHBondContact O-CG 3.18Å; G174-Q178 PolarHBondContact O-N 2.91Å
175I97.6Very high97.3Very high97 Ų9790.3 Ų90.350%0.49750%0.496SS..Hα-helixtrans-65.2-45.4175.7-68.1165.6000110.7V171 L172 C173 E177 Q178 V179V171-I175 HydrophobicContact CG1-CD1 3.96Å; V171-I175 VanDerWaalsContact O-CG1 3.32Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 3.01Å; L172-I175 PolarHBondContact O-N 2.71Å; L172-I175 VanDerWaalsContact O-N 3.13Å; C173-I175 VanDerWaalsContact C-N 3.34Å; C173-I175 PolarHBondContact O-N 3.45Å; I175-E177 VanDerWaalsContact C-N 3.3Å; I175-E177 PolarHBondContact O-N 2.78Å; I175-Q178 PolarHBondContact O-N 2.91Å; I175-V179 HydrophobicContact CG2-CG2 4.4Å; I175-V179 VanDerWaalsContact O-CG2 3.32Å; I175-V179 WeakPolarHBondContact O-CG2 3.35Å; I175-V179 PolarHBondContact O-N 2.98Å
176E97.4Very high97.3Very high132 Ų13295 Ų9562%0.61751%0.506SS*.Hα-helixtrans-59.4-41.1177.5-71.7175.9176.900111.8L172 C173 V179 S180L172-E176 WeakPolarHBondContact O-CG 2.92Å; L172-E176 PolarHBondContact O-N 2.95Å; C173-E176 PolarHBondContact O-N 3.17Å; E176-V179 PolarHBondContact O-N 3.46Å; E176-S180 WeakPolarHBondContact O-CB 3.32Å; E176-S180 PolarHBondContact O-N 3Å
177E97.3Very high97.2Very high124 Ų12496.2 Ų96.258%0.57951%0.507SS*.Hα-helixtrans-63.9-45.3174.9-169.6-176.7-176.200111.7C173 G174 I175 V179 S180 R181C173-E177 PolarHBondContact O-N 3Å; G174-E177 PolarHBondContact O-N 2.78Å; I175-E177 VanDerWaalsContact C-N 3.3Å; I175-E177 PolarHBondContact O-N 2.78Å; E177-V179 VanDerWaalsContact C-N 3.31Å; E177-V179 PolarHBondContact O-N 3.3Å; E177-S180 PolarHBondContact O-N 3.45Å; E177-R181 WeakPolarHBondContact O-CB 3.41Å; E177-R181 PolarHBondContact O-N 3.07Å
178Q97Very high97.1Very high107 Ų10798.9 Ų98.950%0.551%0.512SS..Hα-helixtrans-62.2-39.2176.4-67.4-47.1-43.300112.1G174 I175 R181 A182G174-Q178 WeakPolarHBondContact O-CG 3.18Å; G174-Q178 PolarHBondContact O-N 2.91Å; I175-Q178 PolarHBondContact O-N 2.91Å; Q178-R181 PolarHBondContact O-N 3.06Å; Q178-A182 WeakPolarHBondContact O-CB 3.44Å; Q178-A182 PolarHBondContact O-N 3.15Å
179V97.6Very high97Very high79 Ų79100.3 Ų100.348%0.47951%0.513SS..Hα-helixtrans-63.3-46.1175170.50000110.7I175 E176 E177 R181 A182 N183I175-V179 HydrophobicContact CG2-CG2 4.4Å; I175-V179 VanDerWaalsContact O-CG2 3.32Å; I175-V179 WeakPolarHBondContact O-CG2 3.35Å; I175-V179 PolarHBondContact O-N 2.98Å; E176-V179 PolarHBondContact O-N 3.46Å; E177-V179 VanDerWaalsContact C-N 3.31Å; E177-V179 PolarHBondContact O-N 3.3Å; V179-R181 PolarHBondContact O-N 3.37Å; V179-A182 PolarHBondContact O-N 3.33Å; V179-N183 WeakPolarHBondContact O-CB 3.27Å; V179-N183 PolarHBondContact O-N 2.89Å; V179-N183 PolarHBondContact O-ND2 2.8Å
180S97.2Very high96.9Very high56 Ų5699 Ų9939%0.39251%0.51SS..Hα-helixtrans-59.9-46.3176.3-176.40000111.5E176 E177 A182 N183 Q184E176-S180 WeakPolarHBondContact O-CB 3.32Å; E176-S180 PolarHBondContact O-N 3Å; E177-S180 PolarHBondContact O-N 3.45Å; S180-A182 PolarHBondContact O-N 2.95Å; S180-N183 PolarHBondContact O-N 3.05Å; S180-Q184 WeakPolarHBondContact O-CG 3.27Å; S180-Q184 PolarHBondContact O-N 3.13Å; S180-Q184 PolarHBondContact OG-NE2 3.29Å; S180-Q184 VanDerWaalsContact OG-NE2 3.1Å
181R97.4Very high96.9Very high173 Ų173101.7 Ų101.765%0.65351%0.51SS*.Hα-helixtrans-61.4-44.7178.2-172.6177.7-177.5178.41.9112.1E177 Q178 V179 N183 Q184 Y185E177-R181 WeakPolarHBondContact O-CB 3.41Å; E177-R181 PolarHBondContact O-N 3.07Å; Q178-R181 PolarHBondContact O-N 3.06Å; V179-R181 PolarHBondContact O-N 3.37Å; R181-N183 VanDerWaalsContact C-N 3.35Å; R181-Q184 PolarHBondContact O-N 2.95Å; R181-Y185 WeakPolarHBondContact O-CB 3.41Å; R181-Y185 PolarHBondContact O-N 3.3Å
182A97.4Very high96.7Very high58 Ų58100.2 Ų100.248%0.47950%0.501SS..Hα-helixtrans-63-41.7177.100000111.8Q178 V179 S180 Y185 R186Q178-A182 WeakPolarHBondContact O-CB 3.44Å; Q178-A182 PolarHBondContact O-N 3.15Å; V179-A182 PolarHBondContact O-N 3.33Å; S180-A182 PolarHBondContact O-N 2.95Å; A182-Y185 PolarHBondContact O-N 3.47Å; A182-R186 WeakPolarHBondContact O-CB 3.36Å; A182-R186 PolarHBondContact O-N 2.98Å
183N97.1Very high96.6Very high86 Ų86101.4 Ų101.446%0.4650%0.502SS..Hα-helixtrans-65.2-45.2177-76.7-33.1000112.3V179 S180 R181 R186 E187V179-N183 WeakPolarHBondContact O-CB 3.27Å; V179-N183 PolarHBondContact O-N 2.89Å; V179-N183 PolarHBondContact O-ND2 2.8Å; S180-N183 PolarHBondContact O-N 3.05Å; R181-N183 VanDerWaalsContact C-N 3.35Å; N183-R186 PolarHBondContact O-N 3.3Å; N183-E187 WeakPolarHBondContact O-CB 3.42Å; N183-E187 PolarHBondContact O-N 3.06Å
184Q96.6Very high96.6Very high123 Ų123101.2 Ų101.258%0.57550%0.498SS*.Hα-helixtrans-62.5-42.6176-73.917847.600111.7S180 R181 R186 E187 N188S180-Q184 WeakPolarHBondContact O-CG 3.27Å; S180-Q184 PolarHBondContact O-N 3.13Å; S180-Q184 PolarHBondContact OG-NE2 3.29Å; S180-Q184 VanDerWaalsContact OG-NE2 3.1Å; R181-Q184 PolarHBondContact O-N 2.95Å; Q184-R186 PolarHBondContact O-N 3.44Å; Q184-E187 PolarHBondContact O-N 3.21Å; Q184-N188 WeakPolarHBondContact O-CB 3.4Å; Q184-N188 PolarHBondContact O-N 2.9Å
185Y96.2Very high96.4Very high153 Ų153106 Ų10660%0.651%0.513SS*.Hα-helixtrans-60.5-46.6175.6-177.5-98.4000111.3R181 A182 E187 N188 Q189R181-Y185 WeakPolarHBondContact O-CB 3.41Å; R181-Y185 PolarHBondContact O-N 3.3Å; A182-Y185 PolarHBondContact O-N 3.47Å; Y185-E187 VanDerWaalsContact C-N 3.33Å; Y185-E187 PolarHBondContact O-N 3.3Å; Y185-N188 PolarHBondContact O-N 3.27Å; Y185-Q189 HydrophobicContact CD1-CG 4.08Å; Y185-Q189 HydrophobicContact CE1-CG 3.7Å; Y185-Q189 HydrophobicContact CE2-CG 4.31Å; Y185-Q189 WeakPolarHBondContact O-CB 3.36Å; Y185-Q189 VanDerWaalsContact O-CG 3.3Å; Y185-Q189 WeakPolarHBondContact O-CG 3.38Å; Y185-Q189 PolarHBondContact O-N 2.87Å; Y185-Q189 PolarHBondContact OH-NE2 3.21Å; Y185-Q189 VanDerWaalsContact OH-NE2 3.1Å
186R96.8Very high96.3Very high157 Ų157105.3 Ų105.359%0.59251%0.513SS*.Hα-helixtrans-58.9-44.3175.9-172.4-170.971.882.91.8111.8A182 N183 Q184 Q189 L190A182-R186 WeakPolarHBondContact O-CB 3.36Å; A182-R186 PolarHBondContact O-N 2.98Å; N183-R186 PolarHBondContact O-N 3.3Å; Q184-R186 PolarHBondContact O-N 3.44Å; R186-Q189 PolarHBondContact O-N 3.09Å; R186-L190 WeakPolarHBondContact O-CB 3.45Å; R186-L190 PolarHBondContact O-N 2.99Å
187E96.3Very high96.2Very high95 Ų95104.1 Ų104.144%0.44451%0.507SS..Hα-helixtrans-65.1-43.4178.8-168.5-173154.100111.7N183 Q184 Y185 L190 K191N183-E187 WeakPolarHBondContact O-CB 3.42Å; N183-E187 PolarHBondContact O-N 3.06Å; Q184-E187 PolarHBondContact O-N 3.21Å; Y185-E187 VanDerWaalsContact C-N 3.33Å; Y185-E187 PolarHBondContact O-N 3.3Å; E187-L190 WeakPolarHBondContact O-CB 3.33Å; E187-L190 PolarHBondContact O-N 3.34Å; E187-K191 WeakPolarHBondContact O-CG 3.22Å; E187-K191 PolarHBondContact O-N 2.9Å; E187-K191 WeakPolarHBondContact OE1-CE 3.43Å; E187-K191 IonicContact OE1-NZ 2.69Å; E187-K191 PolarHBondContact OE1-NZ 3.05Å
188N95.8Very high96Very high93 Ų93101.4 Ų101.450%0.49750%0.499SS..Hα-helixtrans-63.5-44.7177.2-165.843.7000111.3Q184 Y185 L190 K191 V192Q184-N188 WeakPolarHBondContact O-CB 3.4Å; Q184-N188 PolarHBondContact O-N 2.9Å; Y185-N188 PolarHBondContact O-N 3.27Å; N188-L190 VanDerWaalsContact C-N 3.29Å; N188-L190 PolarHBondContact O-N 3.03Å; N188-K191 WeakPolarHBondContact O-CB 3.35Å; N188-K191 PolarHBondContact O-N 3.25Å; N188-K191 VanDerWaalsContact O-N 3.14Å; N188-V192 WeakPolarHBondContact O-CG2 3.46Å; N188-V192 PolarHBondContact O-N 2.95Å
189Q94.7Very high95.9Very high85 Ų85101.2 Ų101.240%0.39750%0.498SS..Hα-helixtrans-60.3-38.9175.2-72.8-63.7-11.800112.3Y185 R186 K193Y185-Q189 HydrophobicContact CD1-CG 4.08Å; Y185-Q189 HydrophobicContact CE1-CG 3.7Å; Y185-Q189 HydrophobicContact CE2-CG 4.31Å; Y185-Q189 WeakPolarHBondContact O-CB 3.36Å; Y185-Q189 VanDerWaalsContact O-CG 3.3Å; Y185-Q189 WeakPolarHBondContact O-CG 3.38Å; Y185-Q189 PolarHBondContact O-N 2.87Å; Y185-Q189 PolarHBondContact OH-NE2 3.21Å; Y185-Q189 VanDerWaalsContact OH-NE2 3.1Å; R186-Q189 PolarHBondContact O-N 3.09Å; Q189-K193 VanDerWaalsContact O-CB 3.3Å; Q189-K193 WeakPolarHBondContact O-CB 3.24Å; Q189-K193 PolarHBondContact O-N 3.39Å
190L95.6Very high95.7Very high97 Ų97100.9 Ų100.951%0.50850%0.496SS..Hα-helixtrans-63-44.3174.5-163.983.9000111.3R186 E187 N188 K193 V194R186-L190 WeakPolarHBondContact O-CB 3.45Å; R186-L190 PolarHBondContact O-N 2.99Å; E187-L190 WeakPolarHBondContact O-CB 3.33Å; E187-L190 PolarHBondContact O-N 3.34Å; N188-L190 VanDerWaalsContact C-N 3.29Å; N188-L190 PolarHBondContact O-N 3.03Å; L190-K193 PolarHBondContact O-N 3.14Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.44Å
191K95.8Very high95.4Very high119 Ų119100.5 Ų100.552%0.51749%0.494SS..Hα-helixtrans-61-48.6176.9-72.2172-176.5166.70111.6E187 N188 K193 V194 Q195E187-K191 WeakPolarHBondContact O-CG 3.22Å; E187-K191 PolarHBondContact O-N 2.9Å; E187-K191 WeakPolarHBondContact OE1-CE 3.43Å; E187-K191 IonicContact OE1-NZ 2.69Å; E187-K191 PolarHBondContact OE1-NZ 3.05Å; N188-K191 WeakPolarHBondContact O-CB 3.35Å; N188-K191 PolarHBondContact O-N 3.25Å; N188-K191 VanDerWaalsContact O-N 3.14Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K191-K193 PolarHBondContact O-N 3.21Å; K191-V194 PolarHBondContact O-N 3.16Å; K191-Q195 WeakPolarHBondContact O-CB 3.49Å; K191-Q195 PolarHBondContact O-N 3.48Å
192V95.6Very high95.2Very high64 Ų6495.5 Ų95.539%0.38848%0.48SS..Hα-helixtrans-58.9-46.1176.8174.90000110.7N188 V194 Q195 V196N188-V192 WeakPolarHBondContact O-CG2 3.46Å; N188-V192 PolarHBondContact O-N 2.95Å; V192-V194 PolarHBondContact O-N 3.21Å; V192-Q195 PolarHBondContact O-N 3.1Å; V192-V196 HydrophobicContact CG1-CG2 4.38Å; V192-V196 WeakPolarHBondContact O-CG2 3.21Å; V192-V196 PolarHBondContact O-N 2.97Å
193K95.1Very high94.9Very high126 Ų12698 Ų9855%0.54849%0.485SS..Hα-helixtrans-58.5-48.8178-177.7179.9170.7-177.90112Q189 L190 K191 Q195 V196 E197Q189-K193 VanDerWaalsContact O-CB 3.3Å; Q189-K193 WeakPolarHBondContact O-CB 3.24Å; Q189-K193 PolarHBondContact O-N 3.39Å; L190-K193 PolarHBondContact O-N 3.14Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K191-K193 PolarHBondContact O-N 3.21Å; K193-Q195 VanDerWaalsContact C-N 3.32Å; K193-Q195 PolarHBondContact O-N 3.41Å; K193-V196 PolarHBondContact O-N 3.28Å; K193-E197 WeakPolarHBondContact CE-OE1 3.22Å; K193-E197 IonicContact NZ-OE1 3.87Å; K193-E197 WeakPolarHBondContact O-CG 3.42Å; K193-E197 PolarHBondContact O-N 3.42Å
194V95.9Very high94.5Very high74 Ų7499 Ų9945%0.44849%0.487SS..Hα-helixtrans-62.4-39.7178.7170.30000111.4L190 K191 V192 E197 T198L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.44Å; K191-V194 PolarHBondContact O-N 3.16Å; V192-V194 PolarHBondContact O-N 3.21Å; V194-E197 PolarHBondContact O-N 3.1Å; V194-T198 WeakPolarHBondContact O-CB 3.44Å; V194-T198 PolarHBondContact O-N 2.87Å; V194-T198 PolarHBondContact O-OG1 3.03Å
195Q95.1Very high94.2Very high127 Ų12799.4 Ų99.459%0.59349%0.487SS*.Hα-helixtrans-63.4-48.1177.2-169.317318.600111K191 V192 K193 E197 T198 E199K191-Q195 WeakPolarHBondContact O-CB 3.49Å; K191-Q195 PolarHBondContact O-N 3.48Å; V192-Q195 PolarHBondContact O-N 3.1Å; K193-Q195 VanDerWaalsContact C-N 3.32Å; K193-Q195 PolarHBondContact O-N 3.41Å; Q195-E197 PolarHBondContact O-N 3.34Å; Q195-T198 PolarHBondContact O-N 3.48Å; Q195-T198 VanDerWaalsContact O-N 3.17Å; Q195-E199 WeakPolarHBondContact O-CG 3.42Å; Q195-E199 PolarHBondContact O-N 3.34Å
196V94.8Very high93.7Very high83 Ų8396.2 Ų96.250%0.50348%0.483SS..Hα-helixtrans-59.4-45.8176172.60000111.4V192 K193 T198 E199 V200V192-V196 HydrophobicContact CG1-CG2 4.38Å; V192-V196 WeakPolarHBondContact O-CG2 3.21Å; V192-V196 PolarHBondContact O-N 2.97Å; K193-V196 PolarHBondContact O-N 3.28Å; V196-T198 VanDerWaalsContact C-N 3.28Å; V196-T198 PolarHBondContact O-N 2.86Å; V196-E199 PolarHBondContact O-N 3.21Å; V196-V200 HydrophobicContact CG1-CG2 4.38Å; V196-V200 WeakPolarHBondContact O-CB 3.27Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.46Å; V196-V200 PolarHBondContact O-N 2.99Å
197E94.1Very high92.9Very high107 Ų10794.6 Ų94.650%0.549%0.486SS..Hα-helixtrans-60.3-37.8176.8-74.5174.5174.300112.2K193 V194 Q195 S201K193-E197 WeakPolarHBondContact CE-OE1 3.22Å; K193-E197 IonicContact NZ-OE1 3.87Å; K193-E197 WeakPolarHBondContact O-CG 3.42Å; K193-E197 PolarHBondContact O-N 3.42Å; V194-E197 PolarHBondContact O-N 3.1Å; Q195-E197 PolarHBondContact O-N 3.34Å; E197-S201 WeakPolarHBondContact O-CB 3.5Å; E197-S201 PolarHBondContact O-N 3.18Å
198T94.4Very high92.3Very high67 Ų6797.3 Ų97.341%0.41150%0.496SS..Hα-helixtrans-69.2-46.2177.9-56.10000111.6V194 Q195 V196 V200 S201 N202V194-T198 WeakPolarHBondContact O-CB 3.44Å; V194-T198 PolarHBondContact O-N 2.87Å; V194-T198 PolarHBondContact O-OG1 3.03Å; Q195-T198 PolarHBondContact O-N 3.48Å; Q195-T198 VanDerWaalsContact O-N 3.17Å; V196-T198 VanDerWaalsContact C-N 3.28Å; V196-T198 PolarHBondContact O-N 2.86Å; T198-V200 PolarHBondContact O-N 3.26Å; T198-S201 WeakPolarHBondContact O-CB 3.33Å; T198-S201 PolarHBondContact O-N 3.41Å; T198-N202 VanDerWaalsContact O-CG 3.3Å; T198-N202 PolarHBondContact O-N 3.47Å; T198-N202 PolarHBondContact O-ND2 3.11Å
199E93.8Very high91.3Very high103 Ų10396 Ų9648%0.48150%0.498SS..Hα-helixtrans-61.2-43.4176.4-68.6-54.713600111.5Q195 V196 S201 N202 L203Q195-E199 WeakPolarHBondContact O-CG 3.42Å; Q195-E199 PolarHBondContact O-N 3.34Å; V196-E199 PolarHBondContact O-N 3.21Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.05Å; E199-N202 PolarHBondContact O-N 3.15Å; E199-L203 WeakPolarHBondContact O-CB 3.44Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.49Å
200V93.4Very high90.2Very high72 Ų7296 Ų9644%0.43651%0.507SS..Hα-helixtrans-60.1-43.8174.9170.50000111.2V196 T198 L203 Q204V196-V200 HydrophobicContact CG1-CG2 4.38Å; V196-V200 WeakPolarHBondContact O-CB 3.27Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.46Å; V196-V200 PolarHBondContact O-N 2.99Å; T198-V200 PolarHBondContact O-N 3.26Å; V200-L203 PolarHBondContact O-N 3.1Å; V200-Q204 WeakPolarHBondContact O-CG 3.5Å; V200-Q204 PolarHBondContact O-N 3.02Å
201S92.4Very high88.6Confident49 Ų4995.5 Ų95.534%0.34352%0.517SS..Hα-helixtrans-62.8-41.9176.6-173.70000112.3E197 T198 E199 Q204 K205E197-S201 WeakPolarHBondContact O-CB 3.5Å; E197-S201 PolarHBondContact O-N 3.18Å; T198-S201 WeakPolarHBondContact O-CB 3.33Å; T198-S201 PolarHBondContact O-N 3.41Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.05Å; S201-Q204 PolarHBondContact O-N 2.92Å; S201-K205 WeakPolarHBondContact O-CG 3.44Å; S201-K205 PolarHBondContact O-N 3.41Å; S201-K205 VanDerWaalsContact O-N 3.08Å
202N91.6Very high86.8Confident68 Ų6893.6 Ų93.636%0.36452%0.524SS..Hα-helixtrans-65.9-45.8177.7-70.8-20.9000111.6T198 E199 Q204 K205 T206T198-N202 VanDerWaalsContact O-CG 3.3Å; T198-N202 PolarHBondContact O-N 3.47Å; T198-N202 PolarHBondContact O-ND2 3.11Å; E199-N202 PolarHBondContact O-N 3.15Å; N202-Q204 VanDerWaalsContact C-N 3.34Å; N202-Q204 PolarHBondContact O-N 3.03Å; N202-K205 PolarHBondContact O-N 3.43Å; N202-K205 VanDerWaalsContact O-N 3.15Å; N202-T206 PolarHBondContact O-N 3.25Å; N202-T206 PolarHBondContact O-OG1 3.31Å; N202-T206 VanDerWaalsContact O-OG1 3.13Å
203L91.4Very high84.5Confident110 Ų11095.1 Ų95.158%0.57654%0.537SS*.Hα-helixtrans-59.6-43.1175.3-72.9171.3000111.9E199 V200 K205 T206 L207E199-L203 WeakPolarHBondContact O-CB 3.44Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.49Å; V200-L203 PolarHBondContact O-N 3.1Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.18Å; L203-T206 PolarHBondContact O-N 3.33Å; L203-L207 WeakPolarHBondContact O-CB 3.22Å; L203-L207 WeakPolarHBondContact O-CG 3.29Å; L203-L207 PolarHBondContact O-N 3.12Å
204Q89.3Confident82.3Confident108 Ų10895.1 Ų95.151%0.50555%0.55SS.*Hα-helixtrans-60.4-39.8175-76.7-178.210.900112.6V200 S201 N202 K208V200-Q204 WeakPolarHBondContact O-CG 3.5Å; V200-Q204 PolarHBondContact O-N 3.02Å; S201-Q204 PolarHBondContact O-N 2.92Å; N202-Q204 VanDerWaalsContact C-N 3.34Å; N202-Q204 PolarHBondContact O-N 3.03Å; Q204-K208 WeakPolarHBondContact O-CG 3.28Å; Q204-K208 PolarHBondContact O-N 3.34Å; Q204-K208 VanDerWaalsContact O-N 3.1Å
205K89.6Confident79.7Confident130 Ų13097.5 Ų97.557%0.56557%0.57SS**Hα-helixtrans-67.2-44.9176.9-71.7171-172.3169.80111.6S201 N202 L203 K208 A209S201-K205 WeakPolarHBondContact O-CG 3.44Å; S201-K205 PolarHBondContact O-N 3.41Å; S201-K205 VanDerWaalsContact O-N 3.08Å; N202-K205 PolarHBondContact O-N 3.43Å; N202-K205 VanDerWaalsContact O-N 3.15Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.18Å; K205-K208 PolarHBondContact O-N 3.19Å; K205-A209 WeakPolarHBondContact O-CB 3.4Å; K205-A209 PolarHBondContact O-N 3.41Å
206T85.5Confident77.1Confident86 Ų8697.2 Ų97.253%0.52858%0.582SS.*Hα-helixtrans-62.1-45.1177.8-560000111.4N202 L203 K208 A209 S210N202-T206 PolarHBondContact O-N 3.25Å; N202-T206 PolarHBondContact O-OG1 3.31Å; N202-T206 VanDerWaalsContact O-OG1 3.13Å; L203-T206 PolarHBondContact O-N 3.33Å; T206-K208 VanDerWaalsContact C-N 3.34Å; T206-K208 PolarHBondContact O-N 3.37Å; T206-A209 PolarHBondContact O-N 3.18Å; T206-S210 PolarHBondContact O-N 3.42Å; T206-S210 PolarHBondContact O-OG 2.74Å
207L81Confident74.4Confident123 Ų12396.8 Ų96.864%0.64459%0.594SS**Hα-helixtrans-59.4-42.9175.6-75.3167.1000112.1L203 A211L203-L207 WeakPolarHBondContact O-CB 3.22Å; L203-L207 WeakPolarHBondContact O-CG 3.29Å; L203-L207 PolarHBondContact O-N 3.12Å; L207-A211 WeakPolarHBondContact O-CB 3.47Å; L207-A211 PolarHBondContact O-N 3.19Å
208K82.6Confident72.3Confident153 Ų15397.7 Ų97.767%0.66561%0.609SS**Hα-helixtrans-65-38.1175.4-76.4177.9-179.51790112.7Q204 K205 T206 A212Q204-K208 WeakPolarHBondContact O-CG 3.28Å; Q204-K208 PolarHBondContact O-N 3.34Å; Q204-K208 VanDerWaalsContact O-N 3.1Å; K205-K208 PolarHBondContact O-N 3.19Å; T206-K208 VanDerWaalsContact C-N 3.34Å; T206-K208 PolarHBondContact O-N 3.37Å; K208-A212 PolarHBondContact O-N 3.32Å
209A76.3Confident69.6Low64 Ų6499 Ų9953%0.52963%0.627SS.*Hα-helixtrans-69.8-40.8177.700000112.2K205 T206 A211 A212K205-A209 WeakPolarHBondContact O-CB 3.4Å; K205-A209 PolarHBondContact O-N 3.41Å; T206-A209 PolarHBondContact O-N 3.18Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 2.78Å; A209-A212 PolarHBondContact O-N 3.28Å; A209-A212 VanDerWaalsContact O-N 3.14Å
210S70.1Confident67.5Low85 Ų85100.1 Ų100.159%0.59464%0.643SS**Hα-helixtrans-67.8-30175.2-64.30000113T206 A212T206-S210 PolarHBondContact O-N 3.42Å; T206-S210 PolarHBondContact O-OG 2.74Å; S210-A212 PolarHBondContact O-N 3.25Å
211A63.3Low64.9Low88 Ų88101.8 Ų101.873%0.72766%0.664SS**THydrogen-bonded Turntrans-73.6-11.8172.400000113.8L207 A209L207-A211 WeakPolarHBondContact O-CB 3.47Å; L207-A211 PolarHBondContact O-N 3.19Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 2.78Å
212A58.2Low62.1Low78 Ų78103.3 Ų103.365%0.64569%0.688SS**THydrogen-bonded Turntrans-98.2-0.2-177.300000114.4K208 A209 S210 P214K208-A212 PolarHBondContact O-N 3.32Å; A209-A212 PolarHBondContact O-N 3.28Å; A209-A212 VanDerWaalsContact O-N 3.14Å; S210-A212 PolarHBondContact O-N 3.25Å; A212-P214 WeakPolarHBondContact O-CD 3.44Å
213S46.6Very low59.5Low97 Ų97105 Ų10568%0.67871%0.711SS**SBendtrans-85.2115.4170.8-730000110.5
214P49.2Very low56.7Low126 Ų126104.2 Ų104.282%0.81872%0.72SS**  trans-84.4119.7-176.631.6-28.9000110.7A212A212-P214 WeakPolarHBondContact O-CD 3.44Å
215S41.4Very low54.2Low123 Ų123104 Ų10486%0.8673%0.731SS**  trans-91.3127153.770.90000108.7G217S215-G217 PolarHBondContact O-N 2.98Å
216S41.1Very low51.6Low122 Ų122105.2 Ų105.285%0.85374%0.744SS**  trans-82105.8-172.946.40000112.6
217G36.2Very low49.5Very low73 Ų73109.5 Ų109.575%0.75376%0.758SS**  trans63.1173.9144.600000120.9S215S215-G217 PolarHBondContact O-N 2.98Å
218P50.2Low47.1Very low126 Ų126111 Ų11182%0.81877%0.767SS**  cis-125.2170.7-19.537.1-20.5000113.4
219A39.6Very low45.1Very low94 Ų94107.8 Ų107.878%0.77777%0.768SS**  trans-59.9160.9171.400000112.7
220P48.5Very low43Very low128 Ų128112.4 Ų112.483%0.83178%0.784SS**  -140.9164.799.434.7-19.1000115.5
221A39.9Very low41.5Very low106 Ų106116.3 Ų116.388%0.87679%0.793SS**  trans-67.2154.9175.700000113.9
222G32.6Very low40.5Very low81 Ų81117.7 Ų117.784%0.83579%0.794SS**  trans171.9116.8164.100000112.8
223A36.3Very low39.4Very low104 Ų104118.1 Ų118.186%0.8680%0.798SS**  trans-75156.2-172.400000115.1
224A34.2Very low38.9Very low93 Ų93120.6 Ų120.677%0.76980%0.799SS**  157127.6117.900000113.8
225S36.8Very low38.6Very low103 Ų103120.4 Ų120.472%0.7280%0.798SS**  trans32.7125.3139.9-57.40000122
226N34.2Very low38.3Very low157 Ų157124.6 Ų124.684%0.8479%0.794SS**  173.6152.392.7-92.4-33.3000113.1
227Q40.4Very low38.1Very low176 Ų176126.4 Ų126.482%0.82280%0.795SS**  trans-61.4146.7169.1-62161.316.200110.8
228D32.3Very low38.2Very low155 Ų155128.6 Ų128.683%0.82980%0.796SS**  -176.7157.6106.1-135-67.4000111.2
229A39.9Very low37.3Very low84 Ų84127.3 Ų127.369%0.69480%0.796SS**  trans-82.7151.1-178.700000112
230D31.4Very low37Very low162 Ų162128.3 Ų128.387%0.86680%0.797SS**  -169.5149.6123.4-150.713000112.1
231Q39.3Very low36.2Very low167 Ų167128.3 Ų128.378%0.7880%0.8SS**  trans-73.3179.8-178.6-88.5-170.340.500113.2
232P42Very low35.9Very low116 Ų116132.3 Ų132.375%0.75380%0.8SS**  cis-151.8165.932.140-15.9000121.5
233A34.6Very low36.1Very low87 Ų87137.7 Ų137.772%0.71980%0.804SS**  trans54110139.400000124
234E37.6Very low36.1Very low150 Ų150137.8 Ų137.870%0.70180%0.795SS**  38.5144.3122.4-89-136.8103.400122.4R236E234-R236 PolarHBondContact OE1-N 3.32Å
235P42.9Very low35.9Very low122 Ų122144 Ų14479%0.79280%0.799SS**  -146.1142.268.635.8-15.5000119.2
236R35.3Very low35.9Very low210 Ų210146.4 Ų146.479%0.79280%0.799SS**  trans36.5114.4135.4-85.5-175.7163.9116.1-3.1121.8E234E234-R236 PolarHBondContact OE1-N 3.32Å
237D35.1Very low36.4Very low161 Ų161144.4 Ų144.486%0.86180%0.795SS**  trans-80.3159.8145-81.1-59.5000112.5
238P39.8Very low35.8Very low119 Ų119139.9 Ų139.977%0.77380%0.795SS**  trans-116142.8150.334.9-22.8000113.4
239A31.6Very low36.1Very low99 Ų99142.4 Ų142.482%0.81880%0.799SS**  trans105.8105.5140.900000119.7
240S32.5Very low35.8Very low114 Ų114148.5 Ų148.580%0.79781%0.81SS**  92.8100.6127-151.90000118.7
241S32.5Very low36Very low128 Ų128145.4 Ų145.490%0.89581%0.806SS**  trans-104.8124.2153.8-66.10000108.8
242Q33.4Very low35.7Very low190 Ų190143.7 Ų143.789%0.88881%0.813SS**  trans-90.8137155.2-86.3-178.6-29.200108.7
243E36.5Very low35.3Very low194 Ų194148.2 Ų148.291%0.90782%0.821SS**  trans-63.7162.8-179.9-87.2176.886.700115.6
244P35.7Very low35.5Very low106 Ų106150.7 Ų150.769%0.68883%0.827SS**  trans-116.6150.2173.639.7-27.4000116.6
245R29.9Very low35.5Very low223 Ų223153.7 Ų153.784%0.84284%0.837SS**  trans78.8147.5148.5-69.6179.6178-175.91.2119.5
246Q36.5Very low35Very low154 Ų154151 Ų15172%0.7283%0.832SS**  cis-174.2-1665.5-116.6-165.630.100109
247P45.3Very low35.1Very low116 Ų116149.4 Ų149.475%0.75384%0.838SS**  -131.3169-54.237.8-19.8000114.4
248G27.8Very low35.3Very low80 Ų80153.5 Ų153.583%0.82584%0.842SS**  trans-161.6118.4168.600000113.8
249K38.7Very low34.8Very low208 Ų208151.2 Ų151.290%0.90484%0.839SS**  trans-76.6143.9-173.6-65.1171.7174.8174.70113
250K33Very low35Very low213 Ų213153 Ų15393%0.92685%0.845SS**  -178.4140.6110.1-95.6176.3-173.8-178.40111.5
251A35.4Very low35Very low97 Ų97150.8 Ų150.880%0.80284%0.841SS**  trans-82.8151-175.500000112.8
252S33Very low35.4Very low131 Ų131155 Ų15592%0.91684%0.843SS**  trans-155.1149.5146.1-104.80000111
253K34.3Very low35.9Very low210 Ų210154.1 Ų154.191%0.91384%0.843SS**  trans-96.9139.1-144.5-153.5172.2-176.6174.10112.2
254V38.9Very low36.1Very low140 Ų140155.7 Ų155.785%0.84884%0.84SS**  trans-68.4143.5169.6155.70000112.5
255K37.7Very low36.2Very low213 Ų213156.2 Ų156.293%0.92685%0.847SS**  trans-165.7128.9151-146.2176.1-176.1-177.10106.4
256G31.3Very low36.6Very low66 Ų66154.3 Ų154.368%0.6885%0.845SS**  cis173.6155.53.900000106.5
257L38.6Very low36.8Very low175 Ų175152.5 Ų152.592%0.91685%0.849SS**  trans-52.9142.1175.8-93.665.3000113.8
258R38.4Very low36.4Very low248 Ų248158.4 Ų158.494%0.93687%0.874SS**  -166123.9128.5-113.6175.6-174.8-114.62111.2
259G30.3Very low36.9Very low70 Ų70162.4 Ų162.472%0.72288%0.877SS**  trans-85.7164.3163.600000112
260S34.6Very low36.8Very low136 Ų136159.9 Ų159.995%0.95188%0.875SS**  trans167.2138.7137.3-108.20000110
261G34Very low37Very low68 Ų68157 Ų15770%0.70187%0.873SS**  trans143.274.7155.600000116.1
262K39.5Very low37.1Very low217 Ų217160.5 Ų160.594%0.94388%0.877SS**  trans-54.2136.6155.8-82.3171.6170.6176.40109.6
263I45.5Very low37.3Very low171 Ų171162.4 Ų162.488%0.87787%0.874SS**  trans-127.9103.1164.2-51.9169.8000107.2
264W39.1Very low37.5Very low227 Ų227159.2 Ų159.286%0.8687%0.872SS**  trans-134.2123.8156.7-154.7-37.5000105.7
265S39.2Very low37.4Very low118 Ų118160.6 Ų160.683%0.82587%0.873SS**  trans-158.8126.1149.7-86.70000109.5
266K38.6Very low37.4Very low183 Ų183156.5 Ų156.580%0.79687%0.869SS**  trans-80.3166.2163.5-89.1-179.2167.9-179.10110.3
267S40.1Very low37.9Very low116 Ų116164.1 Ų164.181%0.81189%0.885SS**  trans94.4107.3157.9-60.30000117.4
268N37Very low37.8Very low240 Ų240163.1 Ų163.1100%1.28388%0.882SS**  -143.3096.3-121.611000109.9

Retrieved 268 of 268 residues in 84 ms (Link to these results)