A0A5K4F8Z2_SCHMA Loading...

Uridine kinase

AlphaFold DB , UniProt , Accession A0A5K4F8Z2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 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
1M41Very low73.4Confident231 Ų23191.4 Ų91.4100%1.13848%0.475SS*.  01140-84.9-157.3-83.300104.7T3M1-T3 PolarHBondContact O-N 2.87Å
2D52.5Low74.5Confident144 Ų14485.8 Ų85.877%0.7745%0.446SS*.  trans-64.6108.3177.5-55.7-19.2000106.7L4D2-L4 PolarHBondContact O-N 3.47Å
3T58.3Low75.2Confident106 Ų10682.8 Ų82.865%0.6544%0.442SS*.  trans-74.1114.6172.427.20000107.3M1M1-T3 PolarHBondContact O-N 2.87Å
4L64Low75.5Confident151 Ų15177.4 Ų77.479%0.79142%0.415SS*.PPolyproline II helixtrans-53.1141.7172-67.8170.6000110.1D2 R6D2-L4 PolarHBondContact O-N 3.47Å; L4-R6 PolarHBondContact O-N 2.87Å
5A69.5Low75.5Confident9 Ų974.5 Ų74.57%0.07441%0.406CS..PPolyproline II helixtrans-51136.7169.500000109.6Q7 V89A5-Q7 WeakPolarHBondContact O-CG 2.96Å; A5-Q7 PolarHBondContact O-N 2.82Å; A5-V89 HydrophobicContact CB-CG2 3.66Å
6R83.3Confident75.6Confident130 Ų13074.8 Ų74.849%0.49142%0.415SS..PPolyproline II helixtrans-66.3132.1177.8-66.7178.8-173.3132.78.1109.5L4 Y8 I94 R95 N171L4-R6 PolarHBondContact O-N 2.87Å; R6-Y8 HydrophobicContact CB-CE2 4.19Å; R6-I94 HydrophobicContact CB-CG1 4.32Å; R6-R95 PolarHBondContact O-N 3.41Å; R6-N171 WeakPolarHBondContact CD-OD1 3.42Å; R6-N171 PolarHBondContact NE-OD1 2.76Å; R6-N171 PolarHBondContact NH1-OD1 2.88Å
7Q86.4Confident75.8Confident68 Ų6880.4 Ų80.432%0.31844%0.444SS..EExtended strand (participates in β ladder)trans-119.8135.6-174.3-70.1172.41200110.1A5 W84 S85 R95A5-Q7 WeakPolarHBondContact O-CG 2.96Å; A5-Q7 PolarHBondContact O-N 2.82Å; Q7-W84 HydrophobicContact CB-CH2 3.86Å; Q7-W84 HydrophobicContact CB-CZ3 4.01Å; Q7-W84 HydrophobicContact CG-CH2 3.95Å; Q7-W84 HydrophobicContact CG-CZ3 4.07Å; Q7-S85 PolarHBondContact NE2-O 2.63Å; Q7-R95 CarbonylContact C-O 3.55Å; Q7-R95 WeakPolarHBondContact CA-O 3.22Å; Q7-R95 HydrophobicContact CG-CB 4.15Å
8Y88.3Confident76.1Confident46 Ų4679.6 Ų79.618%0.1845%0.445CS..EExtended strand (participates in β ladder)trans-127.5140.8174.2-61.1-81.8000109.8R6 I94 R95 I96 L97 I167 A170 N171R6-Y8 HydrophobicContact CB-CE2 4.19Å; Y8-I94 HydrophobicContact CD2-CG2 3.56Å; Y8-I94 HydrophobicContact CE2-CG2 3.59Å; Y8-R95 PolarHBondContact N-O 2.85Å; Y8-I96 CarbonylContact O-C 3.54Å; Y8-I96 WeakPolarHBondContact O-CA 3.31Å; Y8-L97 PolarHBondContact O-N 2.87Å; Y8-I167 HydrophobicContact CD2-CG1 4.32Å; Y8-I167 HydrophobicContact CE2-CG2 4.18Å; Y8-I167 HydrophobicContact CG-CG1 4.33Å; Y8-A170 HydrophobicContact CE1-CB 3.56Å; Y8-A170 WeakPolarHBondContact OH-CB 3.34Å; Y8-N171 PolarHBondContact OH-ND2 3.23Å
9V87.7Confident76.6Confident63 Ų6376.8 Ų76.838%0.38244%0.436SS..EExtended strand (participates in β ladder)trans-114.5126.9173.4-176.40000108.3L97 I99 L136V9-L97 CarbonylContact C-O 3.58Å; V9-L97 WeakPolarHBondContact CA-O 3.41Å; V9-L97 HydrophobicContact CG2-CB 4.37Å; V9-I99 HydrophobicContact CG1-CD1 3.7Å; V9-I99 HydrophobicContact CG1-CG1 4.26Å; V9-L136 HydrophobicContact CG1-CD2 4.11Å
10I88.5Confident77.2Confident30 Ų3074 Ų7415%0.15442%0.419CS..EExtended strand (participates in β ladder)trans-115.8116.6179.1-58.1176.2000107.7I12 L31 I96 L97 I98 I99 V163I10-I12 HydrophobicContact CG2-CG1 4.32Å; I10-L31 HydrophobicContact CD1-CD1 4.23Å; I10-I96 HydrophobicContact CD1-CG2 3.53Å; I10-I96 HydrophobicContact CG1-CG2 3.98Å; I10-L97 PolarHBondContact N-O 3.42Å; I10-I98 HydrophobicContact CB-CG1 4.46Å; I10-I98 CarbonylContact O-C 3.55Å; I10-I98 WeakPolarHBondContact O-CA 3.22Å; I10-I99 PolarHBondContact O-N 3.24Å; I10-V163 HydrophobicContact CD1-CG1 3.7Å; I10-V163 HydrophobicContact CD1-CG2 3.94Å
11G87.7Confident77.9Confident27 Ų2774 Ų7428%0.27842%0.421SS..EExtended strand (participates in β ladder)trans-90.1125.317200000111.4I99G11-I99 CarbonylContact C-O 3.56Å; G11-I99 WeakPolarHBondContact CA-O 3.49Å
12I87.4Confident80.4Confident24 Ų2467.4 Ų67.412%0.12339%0.394CS..EExtended strand (participates in β ladder)trans-109.3114.2172.3-61.9-178.4000109.4I10 K20 L27 I98 I99 E100 G101I10-I12 HydrophobicContact CG2-CG1 4.32Å; I12-K20 HydrophobicContact CG2-CB 4.44Å; I12-K20 HydrophobicContact CG2-CG 4.46Å; I12-L27 HydrophobicContact CD1-CD2 3.98Å; I12-I98 HydrophobicContact CD1-CG2 3.65Å; I12-I98 HydrophobicContact CG1-CG2 4.01Å; I12-I99 PolarHBondContact N-O 2.81Å; I12-E100 HydrophobicContact CB-CB 4.31Å; I12-G101 PolarHBondContact O-N 2.89Å
13A82.5Confident82.3Confident48 Ų4860.9 Ų60.940%0.39736%0.359SS..EExtended strand (participates in β ladder)trans-114.3150.2-176.700000111.7L103A13-L103 HydrophobicContact CB-CB 3.27Å; A13-L103 HydrophobicContact CB-CD1 4.14Å; A13-L103 HydrophobicContact CB-CG 4.33Å
14G79.7Confident84Confident6 Ų656.1 Ų56.16%0.06233%0.329CS..  trans173.9154.7-171.500000112.8K20G14-K20 PolarHBondContact O-NZ 2.95Å
15A76.3Confident85.5Confident34 Ų3450.3 Ų50.328%0.28131%0.306SS..  trans-61.5160.817100000111.5N17 S18 K20A15-N17 PolarHBondContact O-N 3.42Å; A15-S18 VanDerWaalsContact O-CB 3.28Å; A15-S18 WeakPolarHBondContact O-CB 3.25Å; A15-S18 PolarHBondContact O-N 3.33Å; A15-S18 PolarHBondContact O-OG 3.38Å; A15-K20 PolarHBondContact O-NZ 3.43Å
16S77.3Confident86.7Confident79 Ų7953 Ų5355%0.55232%0.316SS*.THydrogen-bonded Turntrans-55.6142.1170.3-55.50000110.4S18S16-S18 PolarHBondContact O-N 3.42Å
17N78.2Confident87.3Confident171 Ų17146.8 Ų46.891%0.91429%0.292SS*.THydrogen-bonded Turntrans59.312.9-178.3-57.280.3000115.6A15 G19A15-N17 PolarHBondContact O-N 3.42Å; N17-G19 PolarHBondContact O-N 2.78Å; N17-G19 VanDerWaalsContact O-N 3.16Å
18S81.7Confident87.8Confident66 Ų6644 Ų4446%0.46228%0.281SS..SBendtrans-76.67177.277.50000114.3A15 S16A15-S18 VanDerWaalsContact O-CB 3.28Å; A15-S18 WeakPolarHBondContact O-CB 3.25Å; A15-S18 PolarHBondContact O-N 3.33Å; A15-S18 PolarHBondContact O-OG 3.38Å; S16-S18 PolarHBondContact O-N 3.42Å
19G85.9Confident88.3Confident26 Ų2648.2 Ų48.227%0.26830%0.302SS..SBendtrans83.317-178.800000115.7N17 T22 M23N17-G19 PolarHBondContact O-N 2.78Å; N17-G19 VanDerWaalsContact O-N 3.16Å; G19-T22 PolarHBondContact O-N 3.33Å; G19-M23 WeakPolarHBondContact O-CB 3.31Å; G19-M23 PolarHBondContact O-N 3.13Å
20K88.6Confident88.7Confident20 Ų2045.8 Ų45.89%0.08729%0.286CS..Hα-helixtrans-50.9-59.3178.7-66.8-171.7-65.8-75.10112.7I12 G14 A15 T22 M23 T24 G101I12-K20 HydrophobicContact CG2-CB 4.44Å; I12-K20 HydrophobicContact CG2-CG 4.46Å; G14-K20 PolarHBondContact O-NZ 2.95Å; A15-K20 PolarHBondContact O-NZ 3.43Å; K20-T22 VanDerWaalsContact C-N 3.27Å; K20-T22 PolarHBondContact O-N 3.5Å; K20-M23 CarbonylContact O-C 3.58Å; K20-M23 WeakPolarHBondContact O-CA 3.21Å; K20-M23 WeakPolarHBondContact O-CB 3.43Å; K20-M23 PolarHBondContact O-N 3.24Å; K20-T24 PolarHBondContact O-N 3.47Å; K20-T24 PolarHBondContact O-OG1 2.93Å; K20-T24 VanDerWaalsContact O-OG1 3.06Å; K20-G101 WeakPolarHBondContact CD-O 3.4Å; K20-G101 WeakPolarHBondContact CE-O 3.34Å
21T91.9Very high89Confident76 Ų7644.3 Ų44.347%0.46628%0.279SS..Hα-helixtrans-58-38.8-178.8-52.10000112.9G25 E100T21-G25 PolarHBondContact O-N 3.39Å; T21-E100 WeakPolarHBondContact CA-OE2 3.37Å; T21-E100 WeakPolarHBondContact CB-OE1 3.16Å; T21-E100 WeakPolarHBondContact CG2-OE1 3.4Å; T21-E100 PolarHBondContact N-OE2 2.84Å; T21-E100 PolarHBondContact OG1-OE1 3.42Å; T21-E100 PolarHBondContact OG1-OE2 3.4Å
22T92.4Very high89.4Confident92 Ų9247.9 Ų47.956%0.56429%0.288SS*.Hα-helixtrans-64.2-44.4173.2-520000111.8G19 K20 G25 K26G19-T22 PolarHBondContact O-N 3.33Å; K20-T22 VanDerWaalsContact C-N 3.27Å; K20-T22 PolarHBondContact O-N 3.5Å; T22-G25 PolarHBondContact O-N 3.38Å; T22-K26 WeakPolarHBondContact O-CG 3.36Å; T22-K26 PolarHBondContact O-N 2.89Å; T22-K26 VanDerWaalsContact O-N 3.1Å
23M92.3Very high89.7Confident7 Ų751 Ų513%0.03431%0.312CS..Hα-helixtrans-66.9-42.4178.6-173.356.375.500112G19 K20 G25 K26 L27 I152 L155 F156 I159G19-M23 WeakPolarHBondContact O-CB 3.31Å; G19-M23 PolarHBondContact O-N 3.13Å; K20-M23 CarbonylContact O-C 3.58Å; K20-M23 WeakPolarHBondContact O-CA 3.21Å; K20-M23 WeakPolarHBondContact O-CB 3.43Å; K20-M23 PolarHBondContact O-N 3.24Å; M23-G25 VanDerWaalsContact C-N 3.33Å; M23-G25 PolarHBondContact O-N 2.78Å; M23-K26 PolarHBondContact O-N 3.42Å; M23-L27 WeakPolarHBondContact O-CB 3.48Å; M23-L27 PolarHBondContact O-N 3.34Å; M23-I152 HydrophobicContact CE-CD1 3.39Å; M23-I152 HydrophobicContact CE-CG1 4.05Å; M23-L155 HydrophobicContact CE-CB 4.21Å; M23-L155 HydrophobicContact CE-CD2 3.82Å; M23-L155 HydrophobicContact CE-CG 3.79Å; M23-F156 HydrophobicContact CE-CB 3.9Å; M23-F156 HydrophobicContact SD-CB 3.95Å; M23-F156 HydrophobicContact SD-CD2 3.61Å; M23-F156 HydrophobicContact SD-CG 4.27Å; M23-I159 HydrophobicContact CE-CD1 4.23Å; M23-I159 HydrophobicContact CG-CD1 3.77Å; M23-I159 HydrophobicContact SD-CD1 3.94Å
24T93.8Very high90.2Very high5 Ų551 Ų513%0.03131%0.305CS..Hα-helixtrans-55.7-47.7173.9-61.30000110.9K20 L27 A28 C40 I98 E100K20-T24 PolarHBondContact O-N 3.47Å; K20-T24 PolarHBondContact O-OG1 2.93Å; K20-T24 VanDerWaalsContact O-OG1 3.06Å; T24-L27 PolarHBondContact O-N 3.03Å; T24-A28 WeakPolarHBondContact O-CB 3.12Å; T24-A28 PolarHBondContact O-N 3.02Å; T24-C40 HydrophobicContact CG2-CB 4.41Å; T24-I98 HydrophobicContact CG2-CB 4.46Å; T24-I98 HydrophobicContact CG2-CG2 3.85Å; T24-E100 VanDerWaalsContact CB-OE2 3.29Å; T24-E100 WeakPolarHBondContact CB-OE2 3.39Å; T24-E100 HydrophobicContact CG2-CB 4.38Å; T24-E100 HydrophobicContact CG2-CG 4.19Å; T24-E100 WeakPolarHBondContact OG1-CB 3.4Å; T24-E100 PolarHBondContact OG1-OE2 3.07Å
25G95.8Very high90.7Very high30 Ų3052.9 Ų52.931%0.30932%0.324SS..Hα-helixtrans-59.2-51176.200000112.6T21 T22 M23 L27 A28 E29T21-G25 PolarHBondContact O-N 3.39Å; T22-G25 PolarHBondContact O-N 3.38Å; M23-G25 VanDerWaalsContact C-N 3.33Å; M23-G25 PolarHBondContact O-N 2.78Å; G25-L27 VanDerWaalsContact C-N 3.32Å; G25-L27 PolarHBondContact O-N 3.29Å; G25-A28 PolarHBondContact O-N 3.23Å; G25-E29 WeakPolarHBondContact O-CG 3.36Å; G25-E29 PolarHBondContact O-N 3.5Å
26K96.1Very high91.5Very high64 Ų6452 Ų5228%0.27831%0.313SS..Hα-helixtrans-59.8-41.4177.8-69.7-176.768.8178.60112.5T22 M23 Y30 F156T22-K26 WeakPolarHBondContact O-CG 3.36Å; T22-K26 PolarHBondContact O-N 2.89Å; T22-K26 VanDerWaalsContact O-N 3.1Å; M23-K26 PolarHBondContact O-N 3.42Å; K26-Y30 WeakPolarHBondContact O-CB 3.39Å; K26-Y30 PolarHBondContact O-N 3.38Å; K26-F156 VanDerWaalsContact C-CE2 3.5Å; K26-F156 HydrophobicContact CB-CD2 3.9Å; K26-F156 HydrophobicContact CB-CE2 3.54Å; K26-F156 HydrophobicContact CB-CZ 4.09Å; K26-F156 WeakPolarHBondContact O-CE2 3.26Å
27L95.6Very high92.1Very high0 Ų050.4 Ų50.40%030%0.299CS..Hα-helixtrans-67.3-42.4178.9-178.262.1000111I12 M23 T24 G25 Y30 L31 I98 I159 V163I12-L27 HydrophobicContact CD1-CD2 3.98Å; M23-L27 WeakPolarHBondContact O-CB 3.48Å; M23-L27 PolarHBondContact O-N 3.34Å; T24-L27 PolarHBondContact O-N 3.03Å; G25-L27 VanDerWaalsContact C-N 3.32Å; G25-L27 PolarHBondContact O-N 3.29Å; L27-Y30 HydrophobicContact CD1-CD1 4.43Å; L27-Y30 PolarHBondContact O-N 3.36Å; L27-L31 HydrophobicContact CD1-CD1 3.92Å; L27-L31 HydrophobicContact CD1-CG 4.01Å; L27-L31 HydrophobicContact CD2-CD1 4.37Å; L27-L31 HydrophobicContact CG-CD1 3.75Å; L27-L31 HydrophobicContact CG-CG 4.27Å; L27-L31 WeakPolarHBondContact O-CB 2.97Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 2.61Å; L27-I98 HydrophobicContact CB-CD1 4.43Å; L27-I98 HydrophobicContact CD2-CD1 4.1Å; L27-I98 HydrophobicContact CG-CD1 4.12Å; L27-I159 HydrophobicContact CD1-CG2 4.11Å; L27-I159 HydrophobicContact CD2-CG2 3.93Å; L27-V163 HydrophobicContact CD2-CG2 4.48Å
28A96.8Very high92.9Very high9 Ų942.9 Ų42.97%0.07426%0.259CS..Hα-helixtrans-61.4-48176.700000111.7T24 G25 Y30 L31 Q32 V38 I98T24-A28 WeakPolarHBondContact O-CB 3.12Å; T24-A28 PolarHBondContact O-N 3.02Å; G25-A28 PolarHBondContact O-N 3.23Å; A28-Y30 VanDerWaalsContact C-N 3.32Å; A28-Y30 PolarHBondContact O-N 3Å; A28-L31 PolarHBondContact O-N 2.98Å; A28-Q32 WeakPolarHBondContact O-CB 3.4Å; A28-Q32 WeakPolarHBondContact O-CG 3.42Å; A28-Q32 PolarHBondContact O-N 3.34Å; A28-V38 HydrophobicContact CB-CG1 3.94Å; A28-I98 HydrophobicContact CB-CD1 4.08Å
29E97.7Very high93.5Very high135 Ų13541.6 Ų41.663%0.63125%0.248SC*.Hα-helixtrans-57.3-45176-73.8174.3-173.700111.5G25 S33G25-E29 WeakPolarHBondContact O-CG 3.36Å; G25-E29 PolarHBondContact O-N 3.5Å; E29-S33 WeakPolarHBondContact O-CB 3.39Å; E29-S33 PolarHBondContact O-N 3.48Å
30Y96.9Very high93.9Very high12 Ų1243 Ų435%0.04725%0.254CS..Hα-helixtrans-61.7-52177169.7-112.1000112.5K26 L27 A28 Q32 S33 I34 F156 C160 N164 P181K26-Y30 WeakPolarHBondContact O-CB 3.39Å; K26-Y30 PolarHBondContact O-N 3.38Å; L27-Y30 HydrophobicContact CD1-CD1 4.43Å; L27-Y30 PolarHBondContact O-N 3.36Å; A28-Y30 VanDerWaalsContact C-N 3.32Å; A28-Y30 PolarHBondContact O-N 3Å; Y30-Q32 VanDerWaalsContact C-N 3.28Å; Y30-Q32 PolarHBondContact O-N 3.45Å; Y30-S33 WeakPolarHBondContact O-CB 3.25Å; Y30-S33 PolarHBondContact O-N 3.24Å; Y30-S33 PolarHBondContact O-OG 2.93Å; Y30-I34 HydrophobicContact CE1-CD1 4.05Å; Y30-I34 HydrophobicContact CE2-CG2 3.91Å; Y30-I34 PolarHBondContact O-N 2.79Å; Y30-F156 HydrophobicContact CG-CZ 4.45Å; Y30-C160 HydrophobicContact CD1-CB 4.11Å; Y30-C160 WeakPolarHBondContact CD1-SG 3.19Å; Y30-C160 HydrophobicContact CE1-CB 3.81Å; Y30-N164 PolarHBondContact OH-ND2 3.46Å; Y30-P181 HydrophobicContact CD2-CG 3.38Å; Y30-P181 VanDerWaalsContact CE2-CD 3.46Å; Y30-P181 HydrophobicContact CE2-CG 3.53Å
31L94.7Very high94.1Very high0 Ų042.2 Ų42.20%025%0.25CS..Hα-helixtrans-62.9-36.7-178.1-70.7172.5000111.6I10 L27 A28 I34 G35 Y36 V38 I96 I98 V163I10-L31 HydrophobicContact CD1-CD1 4.23Å; L27-L31 HydrophobicContact CD1-CD1 3.92Å; L27-L31 HydrophobicContact CD1-CG 4.01Å; L27-L31 HydrophobicContact CD2-CD1 4.37Å; L27-L31 HydrophobicContact CG-CD1 3.75Å; L27-L31 HydrophobicContact CG-CG 4.27Å; L27-L31 WeakPolarHBondContact O-CB 2.97Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 2.61Å; A28-L31 PolarHBondContact O-N 2.98Å; L31-I34 HydrophobicContact CD2-CD1 4.3Å; L31-I34 VanDerWaalsContact O-CG1 3.25Å; L31-I34 WeakPolarHBondContact O-CG1 3.4Å; L31-I34 PolarHBondContact O-N 2.87Å; L31-G35 PolarHBondContact O-N 3Å; L31-Y36 HydrophobicContact CB-CD2 3.99Å; L31-Y36 HydrophobicContact CD2-CD2 3.64Å; L31-Y36 HydrophobicContact CD2-CE2 3.82Å; L31-Y36 HydrophobicContact CG-CD2 4.38Å; L31-Y36 WeakPolarHBondContact O-CB 2.92Å; L31-Y36 PolarHBondContact O-N 2.92Å; L31-V38 HydrophobicContact CB-CG2 3.5Å; L31-V38 VanDerWaalsContact CB-CG2 3.5Å; L31-V38 HydrophobicContact CD1-CG2 4.46Å; L31-I96 HydrophobicContact CB-CD1 4.35Å; L31-I96 HydrophobicContact CD1-CD1 3.84Å; L31-I96 HydrophobicContact CD1-CG2 4.19Å; L31-I96 HydrophobicContact CD2-CD1 3.96Å; L31-I96 HydrophobicContact CG-CD1 4.27Å; L31-I98 HydrophobicContact CD1-CD1 4.19Å; L31-V163 HydrophobicContact CD1-CG1 4.41Å; L31-V163 HydrophobicContact CD2-CG1 3.82Å
32Q95Very high94.2Very high102 Ų10242.1 Ų42.148%0.47725%0.245SC..Hα-helixtrans-65-40.3171.6-72.2170-16.700111.9A28 Y30 I34 G35 V38A28-Q32 WeakPolarHBondContact O-CB 3.4Å; A28-Q32 WeakPolarHBondContact O-CG 3.42Å; A28-Q32 PolarHBondContact O-N 3.34Å; Y30-Q32 VanDerWaalsContact C-N 3.28Å; Y30-Q32 PolarHBondContact O-N 3.45Å; Q32-I34 PolarHBondContact O-N 3.45Å; Q32-G35 PolarHBondContact O-N 3.26Å; Q32-V38 HydrophobicContact CG-CB 3.83Å; Q32-V38 HydrophobicContact CG-CG2 3.69Å
33S95.3Very high94Very high88 Ų8838.2 Ų38.262%0.61522%0.22SC*.Hα-helixtrans-62.5-26.4179.579.60000113.6E29 Y30E29-S33 WeakPolarHBondContact O-CB 3.39Å; E29-S33 PolarHBondContact O-N 3.48Å; Y30-S33 WeakPolarHBondContact O-CB 3.25Å; Y30-S33 PolarHBondContact O-N 3.24Å; Y30-S33 PolarHBondContact O-OG 2.93Å
34I92.3Very high93.9Very high50 Ų5041.6 Ų41.626%0.25624%0.238SC..THydrogen-bonded Turntrans-96.711.3176.165.3174.3000113.2Y30 L31 Q32 Y36 F177Y30-I34 HydrophobicContact CE1-CD1 4.05Å; Y30-I34 HydrophobicContact CE2-CG2 3.91Å; Y30-I34 PolarHBondContact O-N 2.79Å; L31-I34 HydrophobicContact CD2-CD1 4.3Å; L31-I34 VanDerWaalsContact O-CG1 3.25Å; L31-I34 WeakPolarHBondContact O-CG1 3.4Å; L31-I34 PolarHBondContact O-N 2.87Å; Q32-I34 PolarHBondContact O-N 3.45Å; I34-Y36 HydrophobicContact CD1-CD2 3.84Å; I34-Y36 HydrophobicContact CD1-CE2 3.39Å; I34-Y36 HydrophobicContact CG1-CD2 3.81Å; I34-Y36 HydrophobicContact CG1-CE2 3.84Å; I34-Y36 HydrophobicContact CG1-CG 4.5Å; I34-F177 HydrophobicContact CB-CE1 4.29Å; I34-F177 HydrophobicContact CD1-CD1 4.44Å; I34-F177 HydrophobicContact CD1-CE1 3.97Å; I34-F177 HydrophobicContact CG1-CE1 4.49Å
35G91Very high93.9Very high44 Ų4447 Ų4745%0.45427%0.267SS..THydrogen-bonded Turntrans98.93.3168.300000116L31 Q32 Q93L31-G35 PolarHBondContact O-N 3Å; Q32-G35 PolarHBondContact O-N 3.26Å; G35-Q93 PolarHBondContact O-NE2 2.81Å
36Y91.4Very high93.8Very high15 Ų1547.8 Ų47.86%0.05926%0.261CS..  trans-78.7147.8177.4-56.6-39.5000112.6L31 I34 V38 I94 I96 I167 F177L31-Y36 HydrophobicContact CB-CD2 3.99Å; L31-Y36 HydrophobicContact CD2-CD2 3.64Å; L31-Y36 HydrophobicContact CD2-CE2 3.82Å; L31-Y36 HydrophobicContact CG-CD2 4.38Å; L31-Y36 WeakPolarHBondContact O-CB 2.92Å; L31-Y36 PolarHBondContact O-N 2.92Å; I34-Y36 HydrophobicContact CD1-CD2 3.84Å; I34-Y36 HydrophobicContact CD1-CE2 3.39Å; I34-Y36 HydrophobicContact CG1-CD2 3.81Å; I34-Y36 HydrophobicContact CG1-CE2 3.84Å; I34-Y36 HydrophobicContact CG1-CG 4.5Å; Y36-V38 PolarHBondContact O-N 2.89Å; Y36-I94 HydrophobicContact CD1-CB 3.71Å; Y36-I94 HydrophobicContact CD1-CD1 4.46Å; Y36-I94 HydrophobicContact CD1-CG2 3.94Å; Y36-I94 HydrophobicContact CE1-CB 3.93Å; Y36-I94 HydrophobicContact CE1-CD1 3.81Å; Y36-I94 HydrophobicContact CE1-CG1 4.44Å; Y36-I94 HydrophobicContact CE1-CG2 4.11Å; Y36-I96 HydrophobicContact CD2-CD1 3.4Å; Y36-I96 HydrophobicContact CE2-CD1 4.01Å; Y36-I96 HydrophobicContact CG-CD1 3.74Å; Y36-I167 HydrophobicContact CD2-CD1 4.49Å; Y36-I167 HydrophobicContact CE2-CD1 3.84Å; Y36-I167 WeakPolarHBondContact OH-CG2 3.18Å; Y36-F177 HydrophobicContact CE1-CZ 4.23Å; Y36-F177 AromaticContact CZ-CZ 3.74Å; Y36-F177 VanDerWaalsContact OH-CE2 3.29Å; Y36-F177 WeakPolarHBondContact OH-CE2 3.16Å; Y36-F177 WeakPolarHBondContact OH-CZ 3.29Å
37N91.6Very high93.7Very high46 Ų4647.1 Ų47.125%0.24626%0.257CS..EExtended strand (participates in β ladder)trans-87.4106.2169.6-178.6-22.5000109Q93 I94 R95 I96N37-Q93 HydrophobicContact CB-CG 3.9Å; N37-I94 PolarHBondContact N-O 2.81Å; N37-R95 HydrophobicContact CB-CG 4.09Å; N37-R95 CarbonylContact O-C 3.54Å; N37-R95 WeakPolarHBondContact O-CA 3.44Å; N37-I96 PolarHBondContact O-N 3.41Å
38V94.1Very high93.8Very high13 Ų1349.3 Ų49.38%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-106.5128.8-175-170.30000110.3A28 L31 Q32 Y36 I96 I98A28-V38 HydrophobicContact CB-CG1 3.94Å; L31-V38 HydrophobicContact CB-CG2 3.5Å; L31-V38 VanDerWaalsContact CB-CG2 3.5Å; L31-V38 HydrophobicContact CD1-CG2 4.46Å; Q32-V38 HydrophobicContact CG-CB 3.83Å; Q32-V38 HydrophobicContact CG-CG2 3.69Å; Y36-V38 PolarHBondContact O-N 2.89Å; V38-I96 CarbonylContact C-O 3.23Å; V38-I96 WeakPolarHBondContact CA-O 3.01Å; V38-I96 HydrophobicContact CG2-CB 4.41Å; V38-I98 HydrophobicContact CG1-CD1 3.69Å; V38-I98 HydrophobicContact CG1-CG1 3.99Å
39T94.4Very high93.8Very high39 Ų3952.5 Ų52.524%0.23929%0.285CS..EExtended strand (participates in β ladder)trans-116141.3168.8-51.70000108.5F80 W84 I96 L97 I98T39-F80 HydrophobicContact CG2-CE1 4.42Å; T39-F80 HydrophobicContact CG2-CZ 3.8Å; T39-W84 PolarHBondContact OG1-NE1 3.23Å; T39-I96 PolarHBondContact N-O 2.97Å; T39-L97 HydrophobicContact CG2-CD1 4.1Å; T39-L97 CarbonylContact O-C 3.51Å; T39-L97 WeakPolarHBondContact O-CA 3.29Å; T39-I98 PolarHBondContact O-N 3.34Å
40C95Very high93.7Very high56 Ų5650.7 Ų50.738%0.37828%0.277SS..EExtended strand (participates in β ladder)trans-111.8136.5173.5-62.50000109.8T24 I98T24-C40 HydrophobicContact CG2-CB 4.41Å; C40-I98 CarbonylContact C-O 3.58Å; C40-I98 VanDerWaalsContact CA-O 3.31Å; C40-I98 WeakPolarHBondContact CA-O 3.44Å
41L92.8Very high93.6Very high4 Ų456.3 Ų56.32%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-115.8122.9167.3175.7146.8000108.3M43 Y46 I77 F80 L97 I98 I99 E100L41-M43 HydrophobicContact CD2-CG 3.95Å; L41-Y46 HydrophobicContact CD1-CE2 3.8Å; L41-Y46 HydrophobicContact CD2-CE2 4.3Å; L41-Y46 HydrophobicContact CG-CE2 3.85Å; L41-I77 HydrophobicContact CD1-CG2 4.43Å; L41-F80 HydrophobicContact CB-CD1 4.43Å; L41-F80 HydrophobicContact CB-CE1 4Å; L41-F80 HydrophobicContact CB-CZ 4.4Å; L41-F80 HydrophobicContact CD1-CB 4.08Å; L41-F80 HydrophobicContact CD1-CD1 3.26Å; L41-F80 HydrophobicContact CD1-CD2 4.41Å; L41-F80 HydrophobicContact CD1-CE1 3.72Å; L41-F80 HydrophobicContact CD1-CG 3.67Å; L41-F80 HydrophobicContact CD1-CZ 4.43Å; L41-F80 HydrophobicContact CG-CD1 4.42Å; L41-F80 HydrophobicContact CG-CE1 4.46Å; L41-L97 HydrophobicContact CB-CD1 4.14Å; L41-I98 PolarHBondContact N-O 2.98Å; L41-I99 HydrophobicContact CB-CG1 4.19Å; L41-I99 HydrophobicContact CD2-CB 4.46Å; L41-I99 HydrophobicContact CD2-CG1 4.28Å; L41-I99 HydrophobicContact CD2-CG2 3.77Å; L41-I99 WeakPolarHBondContact O-CA 3.34Å; L41-E100 PolarHBondContact O-N 2.83Å
42Q92.6Very high93.8Very high74 Ų7457.7 Ų57.735%0.34632%0.315SS..EExtended strand (participates in β ladder)trans-95.1113.3172.6-54.1-169.4-88.500108D44 D45 Y46 E100Q42-D44 PolarHBondContact O-N 2.95Å; Q42-D45 WeakPolarHBondContact O-CB 3.24Å; Q42-D45 PolarHBondContact O-N 2.75Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.21Å; Q42-E100 HydrophobicContact CB-CG 4.43Å; Q42-E100 HydrophobicContact CG-CG 4.13Å; Q42-E100 PolarHBondContact NE2-OE1 3.38Å
43M89.4Confident93.8Very high9 Ų962.3 Ų62.34%0.04433%0.333CS..G310 helixtrans-62-26.9178.5-66-179.165.400111.9L41 D45 Y46 W74 I77 I99 E100 L103 T132L41-M43 HydrophobicContact CD2-CG 3.95Å; M43-D45 PolarHBondContact O-N 3.4Å; M43-Y46 WeakPolarHBondContact O-CB 3.39Å; M43-Y46 PolarHBondContact O-N 3.3Å; M43-W74 HydrophobicContact CE-CH2 4.1Å; M43-W74 HydrophobicContact CE-CZ3 4.02Å; M43-I77 HydrophobicContact CE-CD1 4.39Å; M43-I99 HydrophobicContact CG-CG2 3.82Å; M43-I99 HydrophobicContact SD-CG2 4.05Å; M43-E100 WeakPolarHBondContact CB-O 3.47Å; M43-E100 WeakPolarHBondContact CG-O 2.81Å; M43-E100 PolarHBondContact N-O 2.82Å; M43-L103 HydrophobicContact SD-CG 4.29Å; M43-T132 HydrophobicContact CE-CG2 3.9Å; M43-T132 HydrophobicContact SD-CG2 4.17Å
44D89.8Confident93.9Very high78 Ų7863.1 Ų63.142%0.41732%0.323SS..G310 helixtrans-62.5-26.4-180-69.13.4000111.9Q42 Y46 Y47Q42-D44 PolarHBondContact O-N 2.95Å; D44-Y46 PolarHBondContact O-N 2.9Å; D44-Y47 HydrophobicContact CB-CD2 4.46Å; D44-Y47 WeakPolarHBondContact O-CD2 3.25Å; D44-Y47 PolarHBondContact O-N 2.82Å
45D93.3Very high94.1Very high120 Ų12061.3 Ų61.364%0.64231%0.314SS*.G310 helixtrans-72.7-12.6175.7-67.6-20.4000113.2Q42 M43Q42-D45 WeakPolarHBondContact O-CB 3.24Å; Q42-D45 PolarHBondContact O-N 2.75Å; M43-D45 PolarHBondContact O-N 3.4Å
46Y93.9Very high94.2Very high46 Ų4662.9 Ų62.918%0.1831%0.311CS..G310 helixtrans-102.410.8-179.5-68.2-93.5000112.4L41 Q42 M43 D44 V72 D73 G76 I77 F80L41-Y46 HydrophobicContact CD1-CE2 3.8Å; L41-Y46 HydrophobicContact CD2-CE2 4.3Å; L41-Y46 HydrophobicContact CG-CE2 3.85Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.21Å; M43-Y46 WeakPolarHBondContact O-CB 3.39Å; M43-Y46 PolarHBondContact O-N 3.3Å; D44-Y46 PolarHBondContact O-N 2.9Å; Y46-V72 CarbonylContact O-C 3.6Å; Y46-D73 HydrophobicContact CD1-CB 4.35Å; Y46-D73 WeakPolarHBondContact O-CB 3.35Å; Y46-D73 PolarHBondContact O-N 2.88Å; Y46-G76 WeakPolarHBondContact CE1-O 3.5Å; Y46-I77 HydrophobicContact CD1-CG1 3.61Å; Y46-I77 HydrophobicContact CD2-CD1 4.49Å; Y46-I77 HydrophobicContact CD2-CG1 3.83Å; Y46-I77 HydrophobicContact CE1-CG1 4.13Å; Y46-I77 HydrophobicContact CE2-CG1 4.33Å; Y46-I77 HydrophobicContact CG-CD1 4.12Å; Y46-I77 HydrophobicContact CG-CG1 3.43Å; Y46-I77 VanDerWaalsContact CG-CG1 3.43Å; Y46-F80 WeakPolarHBondContact OH-CB 3.46Å; Y46-F80 WeakPolarHBondContact OH-CD2 3.45Å
47Y94.3Very high94.4Very high49 Ų4965.6 Ų65.619%0.19232%0.321CS..BIsolated β-bridgetrans-73.9138.5168.2-79.3-70.5000111.5D44 F66 A71 V72D44-Y47 HydrophobicContact CB-CD2 4.46Å; D44-Y47 WeakPolarHBondContact O-CD2 3.25Å; D44-Y47 PolarHBondContact O-N 2.82Å; Y47-F66 HydrophobicContact CD1-CB 4.4Å; Y47-F66 AromaticContact CD1-CD1 3.63Å; Y47-F66 HydrophobicContact CD1-CD1 3.63Å; Y47-F66 HydrophobicContact CD1-CE1 4.44Å; Y47-F66 HydrophobicContact CD1-CG 4.49Å; Y47-F66 HydrophobicContact CE1-CB 4.03Å; Y47-F66 HydrophobicContact CE1-CD1 4.12Å; Y47-F66 WeakPolarHBondContact CE1-O 3.47Å; Y47-F66 HydrophobicContact CG-CD1 4.04Å; Y47-F66 PolarHBondContact OH-O 2.81Å; Y47-A71 WeakPolarHBondContact CA-O 3.45Å; Y47-A71 HydrophobicContact CD1-CB 4.05Å; Y47-A71 WeakPolarHBondContact CD1-O 3.21Å; Y47-A71 HydrophobicContact CE1-CB 4.19Å; Y47-V72 HydrophobicContact CD1-CG2 3.86Å; Y47-V72 HydrophobicContact CE1-CG2 3.45Å; Y47-V72 VanDerWaalsContact CE1-CG2 3.45Å
48W96.6Very high94.3Very high46 Ų4666.4 Ų66.417%0.17433%0.325CS..PPolyproline II helixtrans-63.5145.6171.7-62.5119.1000111.1D52 H55 S70 A71 V72 D73W48-D52 HydrophobicContact CB-CB 3.61Å; W48-D52 HydrophobicContact CG-CB 4.39Å; W48-H55 PolarHBondContact O-NE2 3.32Å; W48-S70 VanDerWaalsContact CD1-O 3.24Å; W48-A71 VanDerWaalsContact CD1-C 3.44Å; W48-A71 VanDerWaalsContact CD1-O 3.23Å; W48-A71 PolarHBondContact N-O 3.31Å; W48-V72 PolarHBondContact NE1-O 2.87Å; W48-D73 HydrophobicContact CD2-CB 4.34Å; W48-D73 HydrophobicContact CE3-CB 4.45Å; W48-D73 HydrophobicContact CH2-CB 3.4Å; W48-D73 VanDerWaalsContact CH2-CB 3.4Å; W48-D73 WeakPolarHBondContact CH2-OD1 2.98Å; W48-D73 WeakPolarHBondContact CH2-OD2 3.4Å; W48-D73 HydrophobicContact CZ2-CB 3.2Å; W48-D73 VanDerWaalsContact CZ2-OD1 3.29Å; W48-D73 WeakPolarHBondContact CZ2-OD1 3.08Å; W48-D73 HydrophobicContact CZ3-CB 4.04Å
49P97.1Very high94.1Very high76 Ų7671.9 Ų71.949%0.49436%0.361SS..PPolyproline II helixtrans-50.6150.1175-26.934.5000112.1N51 D52 H55P49-N51 PolarHBondContact O-N 2.88Å; P49-D52 VanDerWaalsContact O-CB 3.29Å; P49-D52 WeakPolarHBondContact O-CB 3.42Å; P49-D52 PolarHBondContact O-N 2.89Å; P49-H55 PolarHBondContact O-CD2 3.15Å; P49-H55 VanDerWaalsContact O-CD2 3.29Å; P49-H55 PolarHBondContact O-NE2 3.18Å
50H95.9Very high93.9Very high98 Ų9877.4 Ų77.445%0.45439%0.387SS..THydrogen-bonded Turntrans-49.2-35.7-174.5178.8-81.7000113.9R57 E63 P64H50-R57 PolarHBondContact O-NH2 2.99Å; H50-E63 IonicContact CD2-OE2 2.85Å; H50-E63 IonicContact CE1-OE2 3.48Å; H50-E63 IonicContact NE2-OE2 3.88Å; H50-E63 PolarHBondContact NE2-OE2 2.86Å; H50-P64 VanDerWaalsContact NE2-CD 3.3Å; H50-P64 WeakPolarHBondContact NE2-CD 3.3Å
51N95.8Very high93.8Very high130 Ų13078.7 Ų78.770%0.69539%0.394SS*.THydrogen-bonded Turntrans-91.84.7-17867-14.4000114.9P49P49-N51 PolarHBondContact O-N 2.88Å
52D97.6Very high93.9Very high29 Ų2983.6 Ų83.616%0.15542%0.42CS..  trans-63.1141.8179.6-163.4-68.6000111.4W48 P49 R54 H55W48-D52 HydrophobicContact CB-CB 3.61Å; W48-D52 HydrophobicContact CG-CB 4.39Å; P49-D52 VanDerWaalsContact O-CB 3.29Å; P49-D52 WeakPolarHBondContact O-CB 3.42Å; P49-D52 PolarHBondContact O-N 2.89Å; D52-R54 PolarHBondContact O-N 2.88Å; D52-R54 WeakPolarHBondContact OD1-CB 3.37Å; D52-R54 WeakPolarHBondContact OD1-CG 3.31Å; D52-R54 IonicContact OD1-CZ 2.67Å; D52-R54 PolarHBondContact OD1-N 2.92Å; D52-R54 IonicContact OD1-NE 3.52Å; D52-R54 PolarHBondContact OD1-NE 2.99Å; D52-R54 IonicContact OD1-NH2 3.88Å; D52-R54 IonicContact OD2-CZ 3.04Å; D52-R54 IonicContact OD2-NE 2.7Å; D52-R54 PolarHBondContact OD2-NE 3.33Å; D52-R54 IonicContact OD2-NH2 3.56Å; D52-R54 PolarHBondContact OD2-NH2 3.41Å; D52-H55 PolarHBondContact O-CD2 3.42Å; D52-H55 PolarHBondContact O-N 3.31Å
53K96.6Very high94Very high198 Ų19884.8 Ų84.886%0.86143%0.425SS*.THydrogen-bonded Turntrans-70.5-16.3-177.666.3-179.5-179.9-179.20113.8H55K53-H55 VanDerWaalsContact C-N 3.28Å
54R96.7Very high94.3Very high105 Ų10584.9 Ų84.940%0.39643%0.427SS..THydrogen-bonded Turntrans-76.3-16.7179.7-72.5168.7-81.4-1693.5113.1D52 I56 S70D52-R54 PolarHBondContact O-N 2.88Å; D52-R54 WeakPolarHBondContact OD1-CB 3.37Å; D52-R54 WeakPolarHBondContact OD1-CG 3.31Å; D52-R54 IonicContact OD1-CZ 2.67Å; D52-R54 PolarHBondContact OD1-N 2.92Å; D52-R54 IonicContact OD1-NE 3.52Å; D52-R54 PolarHBondContact OD1-NE 2.99Å; D52-R54 IonicContact OD1-NH2 3.88Å; D52-R54 IonicContact OD2-CZ 3.04Å; D52-R54 IonicContact OD2-NE 2.7Å; D52-R54 PolarHBondContact OD2-NE 3.33Å; D52-R54 IonicContact OD2-NH2 3.56Å; D52-R54 PolarHBondContact OD2-NH2 3.41Å; R54-I56 PolarHBondContact O-N 3.18Å; R54-S70 WeakPolarHBondContact CB-O 3.39Å; R54-S70 WeakPolarHBondContact O-CB 3.24Å; R54-S70 PolarHBondContact O-OG 2.99Å
55H96.2Very high94.4Very high13 Ų1382.1 Ų82.16%0.0641%0.412CS..PPolyproline II helixtrans-64.2127.7175.9-73.1-56.4000111.4W48 P49 D52 K53 P64 F66 A71W48-H55 PolarHBondContact O-NE2 3.32Å; P49-H55 PolarHBondContact O-CD2 3.15Å; P49-H55 VanDerWaalsContact O-CD2 3.29Å; P49-H55 PolarHBondContact O-NE2 3.18Å; D52-H55 PolarHBondContact O-CD2 3.42Å; D52-H55 PolarHBondContact O-N 3.31Å; K53-H55 VanDerWaalsContact C-N 3.28Å; H55-P64 HydrophobicContact CB-CB 3.68Å; H55-P64 VanDerWaalsContact CG-CB 3.49Å; H55-F66 AromaticContact CE1-CD1 3.9Å; H55-F66 AromaticContact CE1-CE1 3.58Å; H55-A71 WeakPolarHBondContact ND1-CB 3.32Å
56I94.1Very high94.2Very high76 Ų7680.2 Ų80.239%0.3940%0.398SS..PPolyproline II helixtrans-75.6123.6158.7-63.9173.1000106.3R54 N65 C68 Y124R54-I56 PolarHBondContact O-N 3.18Å; I56-N65 WeakPolarHBondContact O-CB 3.47Å; I56-N65 PolarHBondContact O-N 3.04Å; I56-C68 HydrophobicContact CD1-CB 4.42Å; I56-Y124 HydrophobicContact CD1-CE1 4.04Å; I56-Y124 HydrophobicContact CG2-CE1 4.13Å
57R94.3Very high93.9Very high72 Ų7279.6 Ų79.627%0.27240%0.398SS..BIsolated β-bridgetrans-99.6145.9-179.2-67178.5178-81-11111.4H50 N62 E63H50-R57 PolarHBondContact O-NH2 2.99Å; R57-N62 WeakPolarHBondContact CD-O 3.3Å; R57-N62 VanDerWaalsContact CD-OD1 3.3Å; R57-N62 WeakPolarHBondContact CD-OD1 3.27Å; R57-N62 PolarHBondContact NH1-O 3.37Å; R57-E63 CarbonylContact C-O 3.54Å; R57-E63 VanDerWaalsContact CA-O 3.23Å; R57-E63 WeakPolarHBondContact CA-O 3.49Å
58D90.3Very high93.7Very high64 Ų6477.3 Ų77.334%0.34239%0.389SS..PPolyproline II helixtrans-62.3129.3169.9176.3-87000109.6I60 T61 N62 E63D58-I60 PolarHBondContact O-N 2.92Å; D58-I60 WeakPolarHBondContact OD1-CA 3.21Å; D58-I60 WeakPolarHBondContact OD1-CB 3.21Å; D58-I60 PolarHBondContact OD1-N 2.91Å; D58-T61 WeakPolarHBondContact CB-OG1 2.92Å; D58-T61 PolarHBondContact OD1-N 3.34Å; D58-T61 PolarHBondContact OD1-OG1 3.44Å; D58-N62 WeakPolarHBondContact O-CA 3.39Å; D58-N62 PolarHBondContact O-N 2.97Å; D58-E63 PolarHBondContact N-O 3.35Å
59P89.7Confident93.3Very high127 Ų12778.3 Ų78.383%0.82540%0.396SS*.THydrogen-bonded Turntrans-71.3-14.2-172.927.8-35.1000114.1
60I90.6Very high93.1Very high155 Ų15576.7 Ų76.780%0.79539%0.386SS*.THydrogen-bonded Turntrans-95.9-49.1-177.7-58.6175.4000110D58D58-I60 PolarHBondContact O-N 2.92Å; D58-I60 WeakPolarHBondContact OD1-CA 3.21Å; D58-I60 WeakPolarHBondContact OD1-CB 3.21Å; D58-I60 PolarHBondContact OD1-N 2.91Å
61T93Very high93Very high83 Ų8372 Ų7251%0.50937%0.365SS..THydrogen-bonded Turntrans-93.4-18.7-174.959.40000113.1D58 E63D58-T61 WeakPolarHBondContact CB-OG1 2.92Å; D58-T61 PolarHBondContact OD1-N 3.34Å; D58-T61 PolarHBondContact OD1-OG1 3.44Å; T61-E63 PolarHBondContact O-N 3.36Å; T61-E63 PolarHBondContact OG1-N 3.05Å
62N94.2Very high92.9Very high108 Ų10866.2 Ų66.258%0.57833%0.334SS*.  trans60.917-172-166.748.7000114.2R57 D58R57-N62 WeakPolarHBondContact CD-O 3.3Å; R57-N62 VanDerWaalsContact CD-OD1 3.3Å; R57-N62 WeakPolarHBondContact CD-OD1 3.27Å; R57-N62 PolarHBondContact NH1-O 3.37Å; D58-N62 WeakPolarHBondContact O-CA 3.39Å; D58-N62 PolarHBondContact O-N 2.97Å
63E94.9Very high92.7Very high98 Ų9866.6 Ų66.646%0.45834%0.336SS..  trans-80.2145.2175-68.4-59.2149.300111.4H50 R57 D58 T61H50-E63 IonicContact CD2-OE2 2.85Å; H50-E63 IonicContact CE1-OE2 3.48Å; H50-E63 IonicContact NE2-OE2 3.88Å; H50-E63 PolarHBondContact NE2-OE2 2.86Å; R57-E63 CarbonylContact C-O 3.54Å; R57-E63 VanDerWaalsContact CA-O 3.23Å; R57-E63 WeakPolarHBondContact CA-O 3.49Å; D58-E63 PolarHBondContact N-O 3.35Å; T61-E63 PolarHBondContact O-N 3.36Å; T61-E63 PolarHBondContact OG1-N 3.05Å
64P94.9Very high92.5Very high11 Ų1158.4 Ų58.47%0.07130%0.3CS..BIsolated β-bridgetrans-67.9136.1176.629.5-31.6000110.7H50 H55 F66H50-P64 VanDerWaalsContact NE2-CD 3.3Å; H50-P64 WeakPolarHBondContact NE2-CD 3.3Å; H55-P64 HydrophobicContact CB-CB 3.68Å; H55-P64 VanDerWaalsContact CG-CB 3.49Å; P64-F66 HydrophobicContact CB-CE2 4.27Å; P64-F66 HydrophobicContact CB-CZ 4.34Å; P64-F66 HydrophobicContact CG-CD2 4.37Å; P64-F66 HydrophobicContact CG-CE2 3.59Å; P64-F66 HydrophobicContact CG-CZ 3.77Å; P64-F66 PolarHBondContact O-N 2.95Å
65N91.8Very high92.3Very high21 Ų2160.7 Ų60.711%0.11232%0.315CS..  trans-90.3100.4173.5-179.4-6.9000110.3I56 D67 C68 Y120I56-N65 WeakPolarHBondContact O-CB 3.47Å; I56-N65 PolarHBondContact O-N 3.04Å; N65-D67 PolarHBondContact O-N 2.7Å; N65-D67 VanDerWaalsContact OD1-CB 3.31Å; N65-D67 WeakPolarHBondContact OD1-CB 3.28Å; N65-D67 PolarHBondContact OD1-N 3.41Å; N65-C68 PolarHBondContact ND2-SG 3.4Å; N65-C68 VanDerWaalsContact O-CB 3.29Å; N65-C68 WeakPolarHBondContact O-CB 3.45Å; N65-C68 PolarHBondContact O-N 3.04Å; N65-C68 VanDerWaalsContact O-N 3.17Å; N65-C68 PolarHBondContact O-SG 3.42Å; N65-C68 VanDerWaalsContact O-SG 3.35Å; N65-Y120 VanDerWaalsContact CG-OH 3.3Å; N65-Y120 VanDerWaalsContact ND2-CE2 3.26Å; N65-Y120 WeakPolarHBondContact ND2-CE2 3.35Å; N65-Y120 PolarHBondContact ND2-OH 2.96Å; N65-Y120 VanDerWaalsContact ND2-OH 3.11Å; N65-Y120 PolarHBondContact OD1-OH 3.45Å
66F90.3Very high92.2Very high79 Ų7960.9 Ų60.935%0.34632%0.32SS..THydrogen-bonded Turntrans-72.7-7.2178.5-66.7-78.9000114.7Y47 H55 P64 A71Y47-F66 HydrophobicContact CD1-CB 4.4Å; Y47-F66 AromaticContact CD1-CD1 3.63Å; Y47-F66 HydrophobicContact CD1-CD1 3.63Å; Y47-F66 HydrophobicContact CD1-CE1 4.44Å; Y47-F66 HydrophobicContact CD1-CG 4.49Å; Y47-F66 HydrophobicContact CE1-CB 4.03Å; Y47-F66 HydrophobicContact CE1-CD1 4.12Å; Y47-F66 WeakPolarHBondContact CE1-O 3.47Å; Y47-F66 HydrophobicContact CG-CD1 4.04Å; Y47-F66 PolarHBondContact OH-O 2.81Å; H55-F66 AromaticContact CE1-CD1 3.9Å; H55-F66 AromaticContact CE1-CE1 3.58Å; P64-F66 HydrophobicContact CB-CE2 4.27Å; P64-F66 HydrophobicContact CB-CZ 4.34Å; P64-F66 HydrophobicContact CG-CD2 4.37Å; P64-F66 HydrophobicContact CG-CE2 3.59Å; P64-F66 HydrophobicContact CG-CZ 3.77Å; P64-F66 PolarHBondContact O-N 2.95Å; F66-A71 HydrophobicContact CD1-CB 4.33Å
67D87.4Confident92.1Very high34 Ų3457.5 Ų57.518%0.18230%0.303CS..THydrogen-bonded Turntrans-78.2-13.5169.5-65.9-47000112N65 Y120 V125 T128N65-D67 PolarHBondContact O-N 2.7Å; N65-D67 VanDerWaalsContact OD1-CB 3.31Å; N65-D67 WeakPolarHBondContact OD1-CB 3.28Å; N65-D67 PolarHBondContact OD1-N 3.41Å; D67-Y120 HydrophobicContact CB-CE1 4.4Å; D67-Y120 VanDerWaalsContact OD2-CE1 3.32Å; D67-Y120 WeakPolarHBondContact OD2-CE1 3.47Å; D67-Y120 PolarHBondContact OD2-OH 3.3Å; D67-V125 HydrophobicContact CB-CG2 4.08Å; D67-T128 PolarHBondContact O-OG1 3.44Å
68C89.7Confident92Very high1 Ų158 Ų581%0.00731%0.31CS..SBendtrans-71.7139.2178.7-62.30000111.4I56 N65 S70 A71 Y124I56-C68 HydrophobicContact CD1-CB 4.42Å; N65-C68 PolarHBondContact ND2-SG 3.4Å; N65-C68 VanDerWaalsContact O-CB 3.29Å; N65-C68 WeakPolarHBondContact O-CB 3.45Å; N65-C68 PolarHBondContact O-N 3.04Å; N65-C68 VanDerWaalsContact O-N 3.17Å; N65-C68 PolarHBondContact O-SG 3.42Å; N65-C68 VanDerWaalsContact O-SG 3.35Å; C68-S70 PolarHBondContact O-N 2.87Å; C68-S70 VanDerWaalsContact O-N 3.14Å; C68-A71 VanDerWaalsContact O-CB 3.24Å; C68-A71 WeakPolarHBondContact O-CB 3.44Å; C68-A71 PolarHBondContact O-N 2.86Å; C68-Y124 HydrophobicContact CB-CD1 4.49Å; C68-Y124 WeakPolarHBondContact SG-CD1 3.42Å
69E89.3Confident92.2Very high66 Ų6658.8 Ų58.831%0.30832%0.317SS..G310 helixtrans-51.5-38.8170.8-176.3-169.7144.300112.3A71 V72 W74 T128 R131E69-A71 PolarHBondContact O-N 2.84Å; E69-V72 PolarHBondContact O-N 3.43Å; E69-W74 HydrophobicContact CG-CZ2 4.45Å; E69-W74 PolarHBondContact O-NE1 3.31Å; E69-T128 WeakPolarHBondContact CA-OG1 3.46Å; E69-T128 PolarHBondContact N-OG1 2.79Å; E69-R131 IonicContact OE1-CZ 3.96Å; E69-R131 IonicContact OE1-NE 3.7Å; E69-R131 PolarHBondContact OE1-NE 2.94Å; E69-R131 IonicContact OE1-NH2 3.77Å; E69-R131 PolarHBondContact OE1-NH2 3.36Å; E69-R131 IonicContact OE2-NE 3.74Å; E69-R131 IonicContact OE2-NH2 3.52Å
70S92.8Very high92.4Very high42 Ų4255.6 Ų55.629%0.29429%0.29SS..G310 helixtrans-71.2-10.4-178.870.20000114.3W48 R54 C68 V72W48-S70 VanDerWaalsContact CD1-O 3.24Å; R54-S70 WeakPolarHBondContact CB-O 3.39Å; R54-S70 WeakPolarHBondContact O-CB 3.24Å; R54-S70 PolarHBondContact O-OG 2.99Å; C68-S70 PolarHBondContact O-N 2.87Å; C68-S70 VanDerWaalsContact O-N 3.14Å; S70-V72 VanDerWaalsContact C-N 3.29Å
71A93.6Very high92.3Very high0 Ų049.6 Ų49.60%026%0.259CS..G310 helixtrans-78.2-15.6175.400000112.6Y47 W48 H55 F66 C68 E69Y47-A71 WeakPolarHBondContact CA-O 3.45Å; Y47-A71 HydrophobicContact CD1-CB 4.05Å; Y47-A71 WeakPolarHBondContact CD1-O 3.21Å; Y47-A71 HydrophobicContact CE1-CB 4.19Å; W48-A71 VanDerWaalsContact CD1-C 3.44Å; W48-A71 VanDerWaalsContact CD1-O 3.23Å; W48-A71 PolarHBondContact N-O 3.31Å; H55-A71 WeakPolarHBondContact ND1-CB 3.32Å; F66-A71 HydrophobicContact CD1-CB 4.33Å; C68-A71 VanDerWaalsContact O-CB 3.24Å; C68-A71 WeakPolarHBondContact O-CB 3.44Å; C68-A71 PolarHBondContact O-N 2.86Å; E69-A71 PolarHBondContact O-N 2.84Å
72V92.2Very high92.1Very high8 Ų851.2 Ų51.25%0.04826%0.259CS..BIsolated β-bridgetrans-105.9140.9-173.6-176.90000111.2Y46 Y47 W48 E69 S70 W74 I77Y46-V72 CarbonylContact O-C 3.6Å; Y47-V72 HydrophobicContact CD1-CG2 3.86Å; Y47-V72 HydrophobicContact CE1-CG2 3.45Å; Y47-V72 VanDerWaalsContact CE1-CG2 3.45Å; W48-V72 PolarHBondContact NE1-O 2.87Å; E69-V72 PolarHBondContact O-N 3.43Å; S70-V72 VanDerWaalsContact C-N 3.29Å; V72-W74 HydrophobicContact CB-CD2 4.21Å; V72-W74 HydrophobicContact CB-CZ2 3.95Å; V72-W74 HydrophobicContact CG1-CD2 3.87Å; V72-W74 HydrophobicContact CG1-CE3 4.05Å; V72-W74 HydrophobicContact CG1-CG 4.4Å; V72-W74 HydrophobicContact CG1-CH2 4.29Å; V72-W74 HydrophobicContact CG1-CZ2 4.06Å; V72-W74 HydrophobicContact CG1-CZ3 4.28Å; V72-W74 HydrophobicContact CG2-CZ2 4.14Å; V72-W74 PolarHBondContact O-N 3.3Å; V72-I77 HydrophobicContact CG1-CD1 3.76Å
73D94.6Very high92Very high38 Ų3851.3 Ų51.320%0.20326%0.259CS..  trans-81.376.2168.6-172.910.5000111.5Y46 W48 E75 G76 I77Y46-D73 HydrophobicContact CD1-CB 4.35Å; Y46-D73 WeakPolarHBondContact O-CB 3.35Å; Y46-D73 PolarHBondContact O-N 2.88Å; W48-D73 HydrophobicContact CD2-CB 4.34Å; W48-D73 HydrophobicContact CE3-CB 4.45Å; W48-D73 HydrophobicContact CH2-CB 3.4Å; W48-D73 VanDerWaalsContact CH2-CB 3.4Å; W48-D73 WeakPolarHBondContact CH2-OD1 2.98Å; W48-D73 WeakPolarHBondContact CH2-OD2 3.4Å; W48-D73 HydrophobicContact CZ2-CB 3.2Å; W48-D73 VanDerWaalsContact CZ2-OD1 3.29Å; W48-D73 WeakPolarHBondContact CZ2-OD1 3.08Å; W48-D73 HydrophobicContact CZ3-CB 4.04Å; D73-E75 VanDerWaalsContact C-N 3.27Å; D73-E75 PolarHBondContact O-N 3.46Å; D73-E75 PolarHBondContact OD1-N 2.93Å; D73-G76 PolarHBondContact O-N 3.1Å; D73-G76 PolarHBondContact OD1-N 3.44Å; D73-I77 PolarHBondContact O-N 3.02Å; D73-I77 VanDerWaalsContact O-N 3.1Å
74W91.4Very high91.8Very high25 Ų2547.5 Ų47.510%0.09524%0.241CC..Hα-helixtrans-62.8-33.9177.3-60.8107.5000113.1M43 E69 V72 G76 I77 I78 T128 R131 T132 I135M43-W74 HydrophobicContact CE-CH2 4.1Å; M43-W74 HydrophobicContact CE-CZ3 4.02Å; E69-W74 HydrophobicContact CG-CZ2 4.45Å; E69-W74 PolarHBondContact O-NE1 3.31Å; V72-W74 HydrophobicContact CB-CD2 4.21Å; V72-W74 HydrophobicContact CB-CZ2 3.95Å; V72-W74 HydrophobicContact CG1-CD2 3.87Å; V72-W74 HydrophobicContact CG1-CE3 4.05Å; V72-W74 HydrophobicContact CG1-CG 4.4Å; V72-W74 HydrophobicContact CG1-CH2 4.29Å; V72-W74 HydrophobicContact CG1-CZ2 4.06Å; V72-W74 HydrophobicContact CG1-CZ3 4.28Å; V72-W74 HydrophobicContact CG2-CZ2 4.14Å; V72-W74 PolarHBondContact O-N 3.3Å; W74-G76 VanDerWaalsContact C-N 3.33Å; W74-I77 HydrophobicContact CE3-CD1 4.03Å; W74-I77 HydrophobicContact CZ3-CD1 4.25Å; W74-I77 PolarHBondContact O-N 2.78Å; W74-I78 WeakPolarHBondContact O-CB 3.43Å; W74-I78 WeakPolarHBondContact O-CD1 3.33Å; W74-I78 WeakPolarHBondContact O-CG1 3.35Å; W74-I78 PolarHBondContact O-N 3.32Å; W74-T128 HydrophobicContact CH2-CG2 4.33Å; W74-T128 HydrophobicContact CZ2-CG2 4.04Å; W74-R131 HydrophobicContact CD2-CG 4.06Å; W74-R131 VanDerWaalsContact CE2-CD 3.41Å; W74-R131 HydrophobicContact CE3-CG 4.26Å; W74-R131 HydrophobicContact CH2-CG 4.3Å; W74-R131 HydrophobicContact CZ2-CB 4.44Å; W74-R131 HydrophobicContact CZ2-CG 4.15Å; W74-R131 HydrophobicContact CZ3-CG 4.35Å; W74-T132 WeakPolarHBondContact CH2-OG1 3.41Å; W74-I135 HydrophobicContact CB-CD1 4.16Å; W74-I135 HydrophobicContact CD2-CD1 3.81Å; W74-I135 HydrophobicContact CE3-CD1 3.17Å; W74-I135 HydrophobicContact CG-CD1 4.25Å; W74-I135 HydrophobicContact CZ3-CD1 3.8Å
75E93.6Very high91.4Very high154 Ų15449 Ų4972%0.7225%0.252SS*.Hα-helixtrans-65.4-40.4177.3-69.2-175.9177.100110.7D73 T79D73-E75 VanDerWaalsContact C-N 3.27Å; D73-E75 PolarHBondContact O-N 3.46Å; D73-E75 PolarHBondContact OD1-N 2.93Å; E75-T79 WeakPolarHBondContact O-CB 3.43Å; E75-T79 PolarHBondContact O-N 3.45Å; E75-T79 PolarHBondContact O-OG1 2.95Å
76G94.4Very high91.2Very high16 Ų1653.8 Ų53.817%0.16527%0.273CS..Hα-helixtrans-59.4-46.7171.700000112.8Y46 D73 W74 T79 F80Y46-G76 WeakPolarHBondContact CE1-O 3.5Å; D73-G76 PolarHBondContact O-N 3.1Å; D73-G76 PolarHBondContact OD1-N 3.44Å; W74-G76 VanDerWaalsContact C-N 3.33Å; G76-T79 PolarHBondContact O-N 3.23Å; G76-F80 WeakPolarHBondContact O-CB 3.32Å; G76-F80 PolarHBondContact O-N 3.25Å
77I91.9Very high90.9Very high5 Ų552.4 Ų52.43%0.02627%0.273CS..Hα-helixtrans-62.8-49.6177.6-65.5173.6000110.8L41 M43 Y46 V72 D73 W74 T79 F80 M81 I135L41-I77 HydrophobicContact CD1-CG2 4.43Å; M43-I77 HydrophobicContact CE-CD1 4.39Å; Y46-I77 HydrophobicContact CD1-CG1 3.61Å; Y46-I77 HydrophobicContact CD2-CD1 4.49Å; Y46-I77 HydrophobicContact CD2-CG1 3.83Å; Y46-I77 HydrophobicContact CE1-CG1 4.13Å; Y46-I77 HydrophobicContact CE2-CG1 4.33Å; Y46-I77 HydrophobicContact CG-CD1 4.12Å; Y46-I77 HydrophobicContact CG-CG1 3.43Å; Y46-I77 VanDerWaalsContact CG-CG1 3.43Å; V72-I77 HydrophobicContact CG1-CD1 3.76Å; D73-I77 PolarHBondContact O-N 3.02Å; D73-I77 VanDerWaalsContact O-N 3.1Å; W74-I77 HydrophobicContact CE3-CD1 4.03Å; W74-I77 HydrophobicContact CZ3-CD1 4.25Å; W74-I77 PolarHBondContact O-N 2.78Å; I77-T79 VanDerWaalsContact C-N 3.31Å; I77-T79 PolarHBondContact O-N 3.24Å; I77-F80 WeakPolarHBondContact O-CB 3.36Å; I77-F80 PolarHBondContact O-N 2.87Å; I77-M81 HydrophobicContact CG2-CG 4.44Å; I77-M81 HydrophobicContact CG2-SD 3.95Å; I77-M81 WeakPolarHBondContact O-CG 3.36Å; I77-M81 PolarHBondContact O-N 3.03Å; I77-I135 HydrophobicContact CG2-CG2 4.31Å
78I91Very high90.3Very high83 Ų8360.1 Ų60.143%0.42631%0.308SS..Hα-helixtrans-61.3-42.6179.8-69.1163.4000110.4W74 M81 K82 I135W74-I78 WeakPolarHBondContact O-CB 3.43Å; W74-I78 WeakPolarHBondContact O-CD1 3.33Å; W74-I78 WeakPolarHBondContact O-CG1 3.35Å; W74-I78 PolarHBondContact O-N 3.32Å; I78-M81 PolarHBondContact O-N 3.33Å; I78-K82 WeakPolarHBondContact O-CB 3.46Å; I78-K82 PolarHBondContact O-N 2.81Å; I78-I135 HydrophobicContact CD1-CD1 4.03Å; I78-I135 HydrophobicContact CD1-CG1 4.11Å; I78-I135 HydrophobicContact CG1-CD1 4.13Å; I78-I135 HydrophobicContact CG1-CG1 4.11Å; I78-I135 HydrophobicContact CG1-CG2 4.03Å
79T94.2Very high89.4Confident80 Ų8062.2 Ų62.249%0.49132%0.321SS..Hα-helixtrans-63-44.5177.7-61.20000111E75 G76 I77 K82 L83E75-T79 WeakPolarHBondContact O-CB 3.43Å; E75-T79 PolarHBondContact O-N 3.45Å; E75-T79 PolarHBondContact O-OG1 2.95Å; G76-T79 PolarHBondContact O-N 3.23Å; I77-T79 VanDerWaalsContact C-N 3.31Å; I77-T79 PolarHBondContact O-N 3.24Å; T79-K82 PolarHBondContact O-N 2.84Å; T79-L83 HydrophobicContact CG2-CD1 4Å; T79-L83 HydrophobicContact CG2-CG 4.42Å; T79-L83 WeakPolarHBondContact O-CB 3.41Å; T79-L83 VanDerWaalsContact O-CG 3.3Å; T79-L83 WeakPolarHBondContact O-CG 3.33Å; T79-L83 PolarHBondContact O-N 3.41Å
80F93.8Very high88.4Confident60 Ų6066.1 Ų66.126%0.26334%0.343SS..Hα-helixtrans-59.4-50.2174.9177.7-80.5000111.4T39 L41 Y46 G76 I77 K82 L83 W84 L97T39-F80 HydrophobicContact CG2-CE1 4.42Å; T39-F80 HydrophobicContact CG2-CZ 3.8Å; L41-F80 HydrophobicContact CB-CD1 4.43Å; L41-F80 HydrophobicContact CB-CE1 4Å; L41-F80 HydrophobicContact CB-CZ 4.4Å; L41-F80 HydrophobicContact CD1-CB 4.08Å; L41-F80 HydrophobicContact CD1-CD1 3.26Å; L41-F80 HydrophobicContact CD1-CD2 4.41Å; L41-F80 HydrophobicContact CD1-CE1 3.72Å; L41-F80 HydrophobicContact CD1-CG 3.67Å; L41-F80 HydrophobicContact CD1-CZ 4.43Å; L41-F80 HydrophobicContact CG-CD1 4.42Å; L41-F80 HydrophobicContact CG-CE1 4.46Å; Y46-F80 WeakPolarHBondContact OH-CB 3.46Å; Y46-F80 WeakPolarHBondContact OH-CD2 3.45Å; G76-F80 WeakPolarHBondContact O-CB 3.32Å; G76-F80 PolarHBondContact O-N 3.25Å; I77-F80 WeakPolarHBondContact O-CB 3.36Å; I77-F80 PolarHBondContact O-N 2.87Å; F80-K82 VanDerWaalsContact C-N 3.29Å; F80-K82 PolarHBondContact O-N 2.74Å; F80-L83 PolarHBondContact O-N 2.89Å; F80-W84 HydrophobicContact CE1-CB 4.28Å; F80-W84 VanDerWaalsContact O-CB 3.3Å; F80-W84 WeakPolarHBondContact O-CB 3.28Å; F80-W84 PolarHBondContact O-N 3.41Å; F80-L97 HydrophobicContact CE1-CD1 3.8Å; F80-L97 HydrophobicContact CE1-CD2 4.39Å; F80-L97 HydrophobicContact CZ-CD1 4.49Å
81M88.8Confident87Confident29 Ų2970 Ų7014%0.14336%0.356CS..Hα-helixtrans-60.3-41.9-179.1-72.9177.663.700111.4I77 I78 W84 S85 L97 I99 I135 L136I77-M81 HydrophobicContact CG2-CG 4.44Å; I77-M81 HydrophobicContact CG2-SD 3.95Å; I77-M81 WeakPolarHBondContact O-CG 3.36Å; I77-M81 PolarHBondContact O-N 3.03Å; I78-M81 PolarHBondContact O-N 3.33Å; M81-W84 PolarHBondContact O-N 3.01Å; M81-S85 WeakPolarHBondContact O-CB 3.37Å; M81-S85 PolarHBondContact O-N 2.83Å; M81-S85 PolarHBondContact O-OG 2.79Å; M81-L97 HydrophobicContact CG-CD2 4.14Å; M81-I99 HydrophobicContact CE-CD1 4.22Å; M81-I99 HydrophobicContact CG-CD1 4.35Å; M81-I99 HydrophobicContact SD-CD1 3.93Å; M81-I135 HydrophobicContact CE-CG2 4.38Å; M81-I135 WeakPolarHBondContact CE-O 3.49Å; M81-I135 HydrophobicContact SD-CG2 3.7Å; M81-L136 HydrophobicContact CE-CD2 3.98Å; M81-L136 HydrophobicContact SD-CD2 4.29Å
82K89.8Confident85.7Confident117 Ų11779.2 Ų79.251%0.50940%0.4SS..Hα-helixtrans-61.1-53.7175.5-177178.2177.9-178.20111.4I78 T79 F80 W84 S85 E86I78-K82 WeakPolarHBondContact O-CB 3.46Å; I78-K82 PolarHBondContact O-N 2.81Å; T79-K82 PolarHBondContact O-N 2.84Å; F80-K82 VanDerWaalsContact C-N 3.29Å; F80-K82 PolarHBondContact O-N 2.74Å; K82-W84 VanDerWaalsContact C-N 3.27Å; K82-W84 PolarHBondContact O-N 3.08Å; K82-S85 PolarHBondContact O-N 2.64Å; K82-S85 VanDerWaalsContact O-N 3.09Å; K82-S85 PolarHBondContact O-OG 3.06Å; K82-E86 WeakPolarHBondContact CE-OE1 3.36Å; K82-E86 HydrophobicContact CG-CG 4.42Å; K82-E86 IonicContact NZ-OE1 3.68Å; K82-E86 WeakPolarHBondContact O-CB 3.33Å; K82-E86 WeakPolarHBondContact O-CG 3.39Å; K82-E86 PolarHBondContact O-N 3.36Å
83L92.4Very high85.1Confident110 Ų11082 Ų8258%0.57641%0.412SS*.Hα-helixtrans-59.3-39.3178.4-71.3173.5000112T79 F80 S87T79-L83 HydrophobicContact CG2-CD1 4Å; T79-L83 HydrophobicContact CG2-CG 4.42Å; T79-L83 WeakPolarHBondContact O-CB 3.41Å; T79-L83 VanDerWaalsContact O-CG 3.3Å; T79-L83 WeakPolarHBondContact O-CG 3.33Å; T79-L83 PolarHBondContact O-N 3.41Å; F80-L83 PolarHBondContact O-N 2.89Å; L83-S87 WeakPolarHBondContact O-CB 3.48Å; L83-S87 PolarHBondContact O-N 3Å
84W90.5Very high84.7Confident18 Ų1881.6 Ų81.67%0.06841%0.41CS..Hα-helixtrans-63.3-47174.2179.490.6000110.9Q7 T39 F80 M81 K82 E86 S87 R95 L97Q7-W84 HydrophobicContact CB-CH2 3.86Å; Q7-W84 HydrophobicContact CB-CZ3 4.01Å; Q7-W84 HydrophobicContact CG-CH2 3.95Å; Q7-W84 HydrophobicContact CG-CZ3 4.07Å; T39-W84 PolarHBondContact OG1-NE1 3.23Å; F80-W84 HydrophobicContact CE1-CB 4.28Å; F80-W84 VanDerWaalsContact O-CB 3.3Å; F80-W84 WeakPolarHBondContact O-CB 3.28Å; F80-W84 PolarHBondContact O-N 3.41Å; M81-W84 PolarHBondContact O-N 3.01Å; K82-W84 VanDerWaalsContact C-N 3.27Å; K82-W84 PolarHBondContact O-N 3.08Å; W84-E86 VanDerWaalsContact C-N 3.32Å; W84-E86 PolarHBondContact O-N 2.8Å; W84-S87 PolarHBondContact O-N 2.96Å; W84-S87 PolarHBondContact O-OG 2.78Å; W84-R95 VanDerWaalsContact CE2-NH2 3.32Å; W84-R95 HydrophobicContact CH2-CB 4.2Å; W84-R95 HydrophobicContact CZ2-CB 3.84Å; W84-R95 PolarHBondContact O-NH1 3.12Å; W84-R95 PolarHBondContact O-NH2 3.5Å; W84-L97 HydrophobicContact CD2-CB 4.05Å; W84-L97 HydrophobicContact CD2-CD2 4.13Å; W84-L97 HydrophobicContact CE3-CB 4.18Å; W84-L97 HydrophobicContact CE3-CD2 4.09Å; W84-L97 HydrophobicContact CG-CD2 4.47Å; W84-L97 HydrophobicContact CH2-CB 3.69Å; W84-L97 HydrophobicContact CZ2-CB 3.53Å; W84-L97 HydrophobicContact CZ3-CB 4.01Å
85S86.4Confident84.6Confident44 Ų4480.7 Ų80.731%0.30841%0.406SS..Hα-helixtrans-64.5-35.7-179.671.60000113Q7 M81 K82Q7-S85 PolarHBondContact NE2-O 2.63Å; M81-S85 WeakPolarHBondContact O-CB 3.37Å; M81-S85 PolarHBondContact O-N 2.83Å; M81-S85 PolarHBondContact O-OG 2.79Å; K82-S85 PolarHBondContact O-N 2.64Å; K82-S85 VanDerWaalsContact O-N 3.09Å; K82-S85 PolarHBondContact O-OG 3.06Å
86E87.5Confident84.5Confident121 Ų12173.3 Ų73.357%0.56537%0.372SS*.Hα-helixtrans-87-13.5-177.8-67.6175.6171.200113.5K82 W84 Q88K82-E86 WeakPolarHBondContact CE-OE1 3.36Å; K82-E86 HydrophobicContact CG-CG 4.42Å; K82-E86 IonicContact NZ-OE1 3.68Å; K82-E86 WeakPolarHBondContact O-CB 3.33Å; K82-E86 WeakPolarHBondContact O-CG 3.39Å; K82-E86 PolarHBondContact O-N 3.36Å; W84-E86 VanDerWaalsContact C-N 3.32Å; W84-E86 PolarHBondContact O-N 2.8Å; E86-Q88 PolarHBondContact O-N 2.83Å
87S84.6Confident84.4Confident49 Ų4972.6 Ų72.634%0.34336%0.364SS..  trans-63.2127.1-178.5700000111.1L83 W84 V89 R95L83-S87 WeakPolarHBondContact O-CB 3.48Å; L83-S87 PolarHBondContact O-N 3Å; W84-S87 PolarHBondContact O-N 2.96Å; W84-S87 PolarHBondContact O-OG 2.78Å; S87-V89 PolarHBondContact O-N 2.89Å; S87-R95 PolarHBondContact O-NH1 3.46Å; S87-R95 VanDerWaalsContact OG-CZ 3.27Å; S87-R95 PolarHBondContact OG-NH1 3.32Å; S87-R95 VanDerWaalsContact OG-NH1 3.08Å; S87-R95 PolarHBondContact OG-NH2 3.5Å
88Q74.2Confident84.4Confident196 Ų19672.4 Ų72.492%0.91636%0.363SS*.  trans-70127.5173.7-65.3-153.6-22.300110.8E86E86-Q88 PolarHBondContact O-N 2.83Å
89V71.4Confident84.4Confident45 Ų4568.5 Ų68.527%0.27334%0.343SS..  trans-132.5158.5177.2-79.40000108.4A5 S87 E91 R95A5-V89 HydrophobicContact CB-CG2 3.66Å; S87-V89 PolarHBondContact O-N 2.89Å; V89-E91 PolarHBondContact O-N 3.04Å; V89-R95 HydrophobicContact CG2-CG 4.23Å
90L67.3Low84.1Confident148 Ų14865 Ų6578%0.77532%0.321SS*.  trans-55.5129.5174.3-63.1172.3000110.1E92 Q93L90-E92 PolarHBondContact O-N 3.16Å; L90-E92 VanDerWaalsContact O-N 3.15Å; L90-Q93 PolarHBondContact O-N 3.44Å
91E63.6Low83.5Confident123 Ų12362.2 Ų62.258%0.57531%0.31SS*.THydrogen-bonded Turntrans-61.1-27.9-164.3-64.2178.7179.600114.5V89 Q93V89-E91 PolarHBondContact O-N 3.04Å; E91-Q93 VanDerWaalsContact C-N 3.31Å; E91-Q93 PolarHBondContact O-N 3.06Å
92E67.1Low82.5Confident194 Ų19462.8 Ų62.891%0.90731%0.313SS*.THydrogen-bonded Turntrans-82-5.9-173.1-62.3-174.4172.400114.1L90L90-E92 PolarHBondContact O-N 3.16Å; L90-E92 VanDerWaalsContact O-N 3.15Å
93Q78.1Confident80.9Confident68 Ų6857.8 Ų57.832%0.31829%0.292SS..  trans-100.1121.4-173.3-162.1169.336.400112.5G35 N37 L90 E91 R95G35-Q93 PolarHBondContact O-NE2 2.81Å; N37-Q93 HydrophobicContact CB-CG 3.9Å; L90-Q93 PolarHBondContact O-N 3.44Å; E91-Q93 VanDerWaalsContact C-N 3.31Å; E91-Q93 PolarHBondContact O-N 3.06Å; Q93-R95 PolarHBondContact O-N 2.98Å
94I87.3Confident79.1Confident29 Ų2952.6 Ų52.615%0.14927%0.265CS..  trans-64.2131.5168-70.4166.1000109R6 Y8 Y36 N37 I96 I167R6-I94 HydrophobicContact CB-CG1 4.32Å; Y8-I94 HydrophobicContact CD2-CG2 3.56Å; Y8-I94 HydrophobicContact CE2-CG2 3.59Å; Y36-I94 HydrophobicContact CD1-CB 3.71Å; Y36-I94 HydrophobicContact CD1-CD1 4.46Å; Y36-I94 HydrophobicContact CD1-CG2 3.94Å; Y36-I94 HydrophobicContact CE1-CB 3.93Å; Y36-I94 HydrophobicContact CE1-CD1 3.81Å; Y36-I94 HydrophobicContact CE1-CG1 4.44Å; Y36-I94 HydrophobicContact CE1-CG2 4.11Å; N37-I94 PolarHBondContact N-O 2.81Å; I94-I96 HydrophobicContact CG2-CG1 4.25Å; I94-I167 HydrophobicContact CD1-CG2 4.2Å
95R89.3Confident77.2Confident5 Ų554.5 Ų54.52%0.01928%0.275CS..EExtended strand (participates in β ladder)trans-106.2137.7178.6-69.8-174.462.2-1578.8111.5R6 Q7 Y8 N37 W84 S87 V89 Q93R6-R95 PolarHBondContact O-N 3.41Å; Q7-R95 CarbonylContact C-O 3.55Å; Q7-R95 WeakPolarHBondContact CA-O 3.22Å; Q7-R95 HydrophobicContact CG-CB 4.15Å; Y8-R95 PolarHBondContact N-O 2.85Å; N37-R95 HydrophobicContact CB-CG 4.09Å; N37-R95 CarbonylContact O-C 3.54Å; N37-R95 WeakPolarHBondContact O-CA 3.44Å; W84-R95 VanDerWaalsContact CE2-NH2 3.32Å; W84-R95 HydrophobicContact CH2-CB 4.2Å; W84-R95 HydrophobicContact CZ2-CB 3.84Å; W84-R95 PolarHBondContact O-NH1 3.12Å; W84-R95 PolarHBondContact O-NH2 3.5Å; S87-R95 PolarHBondContact O-NH1 3.46Å; S87-R95 VanDerWaalsContact OG-CZ 3.27Å; S87-R95 PolarHBondContact OG-NH1 3.32Å; S87-R95 VanDerWaalsContact OG-NH1 3.08Å; S87-R95 PolarHBondContact OG-NH2 3.5Å; V89-R95 HydrophobicContact CG2-CG 4.23Å; Q93-R95 PolarHBondContact O-N 2.98Å
96I91.9Very high75.5Confident0 Ų054.9 Ų54.90%027%0.273CS..EExtended strand (participates in β ladder)trans-129.4123.8-179.9-56.1177.7000108.6Y8 I10 L31 Y36 N37 V38 T39 I94 I98 I167Y8-I96 CarbonylContact O-C 3.54Å; Y8-I96 WeakPolarHBondContact O-CA 3.31Å; I10-I96 HydrophobicContact CD1-CG2 3.53Å; I10-I96 HydrophobicContact CG1-CG2 3.98Å; L31-I96 HydrophobicContact CB-CD1 4.35Å; L31-I96 HydrophobicContact CD1-CD1 3.84Å; L31-I96 HydrophobicContact CD1-CG2 4.19Å; L31-I96 HydrophobicContact CD2-CD1 3.96Å; L31-I96 HydrophobicContact CG-CD1 4.27Å; Y36-I96 HydrophobicContact CD2-CD1 3.4Å; Y36-I96 HydrophobicContact CE2-CD1 4.01Å; Y36-I96 HydrophobicContact CG-CD1 3.74Å; N37-I96 PolarHBondContact O-N 3.41Å; V38-I96 CarbonylContact C-O 3.23Å; V38-I96 WeakPolarHBondContact CA-O 3.01Å; V38-I96 HydrophobicContact CG2-CB 4.41Å; T39-I96 PolarHBondContact N-O 2.97Å; I94-I96 HydrophobicContact CG2-CG1 4.25Å; I96-I98 HydrophobicContact CG2-CG1 4.11Å; I96-I167 HydrophobicContact CD1-CD1 3.56Å; I96-I167 HydrophobicContact CG1-CD1 4.44Å
97L91.7Very high73.9Confident1 Ų156 Ų561%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-101.5115.7167.4177.857.8000108.4Y8 V9 I10 T39 L41 F80 M81 W84 I99Y8-L97 PolarHBondContact O-N 2.87Å; V9-L97 CarbonylContact C-O 3.58Å; V9-L97 WeakPolarHBondContact CA-O 3.41Å; V9-L97 HydrophobicContact CG2-CB 4.37Å; I10-L97 PolarHBondContact N-O 3.42Å; T39-L97 HydrophobicContact CG2-CD1 4.1Å; T39-L97 CarbonylContact O-C 3.51Å; T39-L97 WeakPolarHBondContact O-CA 3.29Å; L41-L97 HydrophobicContact CB-CD1 4.14Å; F80-L97 HydrophobicContact CE1-CD1 3.8Å; F80-L97 HydrophobicContact CE1-CD2 4.39Å; F80-L97 HydrophobicContact CZ-CD1 4.49Å; M81-L97 HydrophobicContact CG-CD2 4.14Å; W84-L97 HydrophobicContact CD2-CB 4.05Å; W84-L97 HydrophobicContact CD2-CD2 4.13Å; W84-L97 HydrophobicContact CE3-CB 4.18Å; W84-L97 HydrophobicContact CE3-CD2 4.09Å; W84-L97 HydrophobicContact CG-CD2 4.47Å; W84-L97 HydrophobicContact CH2-CB 3.69Å; W84-L97 HydrophobicContact CZ2-CB 3.53Å; W84-L97 HydrophobicContact CZ3-CB 4.01Å; L97-I99 HydrophobicContact CD1-CG1 4.43Å; L97-I99 HydrophobicContact CD2-CD1 3.85Å; L97-I99 HydrophobicContact CD2-CG1 4.05Å; L97-I99 HydrophobicContact CG-CD1 4.18Å; L97-I99 HydrophobicContact CG-CG1 3.85Å
98I92.7Very high72.5Confident0 Ų060 Ų600%029%0.292CS..EExtended strand (participates in β ladder)trans-93.7119.1170.4-52.4174.3000107.8I10 I12 T24 L27 A28 L31 V38 T39 C40 L41 I96I10-I98 HydrophobicContact CB-CG1 4.46Å; I10-I98 CarbonylContact O-C 3.55Å; I10-I98 WeakPolarHBondContact O-CA 3.22Å; I12-I98 HydrophobicContact CD1-CG2 3.65Å; I12-I98 HydrophobicContact CG1-CG2 4.01Å; T24-I98 HydrophobicContact CG2-CB 4.46Å; T24-I98 HydrophobicContact CG2-CG2 3.85Å; L27-I98 HydrophobicContact CB-CD1 4.43Å; L27-I98 HydrophobicContact CD2-CD1 4.1Å; L27-I98 HydrophobicContact CG-CD1 4.12Å; A28-I98 HydrophobicContact CB-CD1 4.08Å; L31-I98 HydrophobicContact CD1-CD1 4.19Å; V38-I98 HydrophobicContact CG1-CD1 3.69Å; V38-I98 HydrophobicContact CG1-CG1 3.99Å; T39-I98 PolarHBondContact O-N 3.34Å; C40-I98 CarbonylContact C-O 3.58Å; C40-I98 VanDerWaalsContact CA-O 3.31Å; C40-I98 WeakPolarHBondContact CA-O 3.44Å; L41-I98 PolarHBondContact N-O 2.98Å; I96-I98 HydrophobicContact CG2-CG1 4.11Å
99I89.9Confident71.7Confident2 Ų254.5 Ų54.51%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-105.5113.8175.2-63.5175.2000107.1V9 I10 G11 I12 L41 M43 M81 L97 L136V9-I99 HydrophobicContact CG1-CD1 3.7Å; V9-I99 HydrophobicContact CG1-CG1 4.26Å; I10-I99 PolarHBondContact O-N 3.24Å; G11-I99 CarbonylContact C-O 3.56Å; G11-I99 WeakPolarHBondContact CA-O 3.49Å; I12-I99 PolarHBondContact N-O 2.81Å; L41-I99 HydrophobicContact CB-CG1 4.19Å; L41-I99 HydrophobicContact CD2-CB 4.46Å; L41-I99 HydrophobicContact CD2-CG1 4.28Å; L41-I99 HydrophobicContact CD2-CG2 3.77Å; L41-I99 WeakPolarHBondContact O-CA 3.34Å; M43-I99 HydrophobicContact CG-CG2 3.82Å; M43-I99 HydrophobicContact SD-CG2 4.05Å; M81-I99 HydrophobicContact CE-CD1 4.22Å; M81-I99 HydrophobicContact CG-CD1 4.35Å; M81-I99 HydrophobicContact SD-CD1 3.93Å; L97-I99 HydrophobicContact CD1-CG1 4.43Å; L97-I99 HydrophobicContact CD2-CD1 3.85Å; L97-I99 HydrophobicContact CD2-CG1 4.05Å; L97-I99 HydrophobicContact CG-CD1 4.18Å; L97-I99 HydrophobicContact CG-CG1 3.85Å; I99-L136 HydrophobicContact CD1-CD2 3.27Å; I99-L136 HydrophobicContact CG1-CD2 4.45Å
100E88.9Confident71.3Confident6 Ų654.4 Ų54.43%0.02826%0.264CS..EExtended strand (participates in β ladder)trans-112148.917570.7155.9-166.100112I12 T21 T24 L41 Q42 M43I12-E100 HydrophobicContact CB-CB 4.31Å; T21-E100 WeakPolarHBondContact CA-OE2 3.37Å; T21-E100 WeakPolarHBondContact CB-OE1 3.16Å; T21-E100 WeakPolarHBondContact CG2-OE1 3.4Å; T21-E100 PolarHBondContact N-OE2 2.84Å; T21-E100 PolarHBondContact OG1-OE1 3.42Å; T21-E100 PolarHBondContact OG1-OE2 3.4Å; T24-E100 VanDerWaalsContact CB-OE2 3.29Å; T24-E100 WeakPolarHBondContact CB-OE2 3.39Å; T24-E100 HydrophobicContact CG2-CB 4.38Å; T24-E100 HydrophobicContact CG2-CG 4.19Å; T24-E100 WeakPolarHBondContact OG1-CB 3.4Å; T24-E100 PolarHBondContact OG1-OE2 3.07Å; L41-E100 PolarHBondContact O-N 2.83Å; Q42-E100 HydrophobicContact CB-CG 4.43Å; Q42-E100 HydrophobicContact CG-CG 4.13Å; Q42-E100 PolarHBondContact NE2-OE1 3.38Å; M43-E100 WeakPolarHBondContact CB-O 3.47Å; M43-E100 WeakPolarHBondContact CG-O 2.81Å; M43-E100 PolarHBondContact N-O 2.82Å
101G80.6Confident71.1Confident2 Ų256.4 Ų56.42%0.02127%0.266CS..EExtended strand (participates in β ladder)trans168.1-172.1175.700000111.6I12 K20 L103I12-G101 PolarHBondContact O-N 2.89Å; K20-G101 WeakPolarHBondContact CD-O 3.4Å; K20-G101 WeakPolarHBondContact CE-O 3.34Å; G101-L103 PolarHBondContact O-N 2.93Å
102I68.6Low71.3Confident41 Ų4156 Ų5621%0.2126%0.26CS..  trans-73.771.9165.1-48.6177.9000107.4I104I102-I104 HydrophobicContact CG2-CG1 3.63Å; I102-I104 PolarHBondContact O-N 2.75Å
103L55.9Low71.4Confident12 Ų1255 Ų556%0.06326%0.261CS..  trans-6786.1157.5-91.6151.5000105.7A13 M43 G101 M105 T132 L136A13-L103 HydrophobicContact CB-CB 3.27Å; A13-L103 HydrophobicContact CB-CD1 4.14Å; A13-L103 HydrophobicContact CB-CG 4.33Å; M43-L103 HydrophobicContact SD-CG 4.29Å; G101-L103 PolarHBondContact O-N 2.93Å; L103-M105 PolarHBondContact O-N 3.09Å; L103-T132 HydrophobicContact CD2-CG2 3.23Å; L103-T132 HydrophobicContact CG-CG2 3.99Å; L103-L136 HydrophobicContact CD2-CD1 4.15Å
104I53.2Low71.4Confident1 Ų157.2 Ų57.21%0.00528%0.279CS..  trans-48109.2-173.6-77.5177.1000110I102 V125 T128 Y129I102-I104 HydrophobicContact CG2-CG1 3.63Å; I102-I104 PolarHBondContact O-N 2.75Å; I104-V125 HydrophobicContact CB-CG1 4.3Å; I104-V125 HydrophobicContact CD1-CG1 4.25Å; I104-V125 HydrophobicContact CG2-CB 4.1Å; I104-V125 HydrophobicContact CG2-CG1 2.98Å; I104-V125 WeakPolarHBondContact CG2-O 3.39Å; I104-T128 HydrophobicContact CD1-CG2 3.65Å; I104-Y129 WeakPolarHBondContact O-CD2 3.5Å; I104-Y129 WeakPolarHBondContact O-CE2 3.42Å
105M50.8Low71Confident58 Ų5861 Ų6129%0.28631%0.306SS..  trans-60.3145.4-175.8-70.9174.1167.900112.2L103 K107 L109 R110L103-M105 PolarHBondContact O-N 3.09Å; M105-K107 PolarHBondContact O-N 2.94Å; M105-L109 HydrophobicContact CB-CB 4.29Å; M105-L109 HydrophobicContact SD-CB 4.16Å; M105-R110 HydrophobicContact CB-CG 4.38Å
106N51.9Low70.6Confident51 Ų5163.5 Ų63.527%0.27332%0.32SS..  trans-38.9135.5161.4-177.7-13.3000110.1I108 L109N106-I108 PolarHBondContact O-N 3.33Å; N106-I108 PolarHBondContact OD1-N 2.78Å; N106-L109 PolarHBondContact O-N 2.98Å
107K54.1Low70.3Confident145 Ų14567.3 Ų67.363%0.6334%0.344SS*.THydrogen-bonded Turntrans-42.8-33.6-179.2-171.9177176.8-177.70113.6M105 L109 R110 F121M105-K107 PolarHBondContact O-N 2.94Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.4Å; K107-R110 PolarHBondContact O-N 2.83Å; K107-F121 HydrophobicContact CB-CD1 4.32Å; K107-F121 HydrophobicContact CB-CE1 3.79Å; K107-F121 HydrophobicContact CB-CE2 4.01Å; K107-F121 HydrophobicContact CB-CZ 3.63Å; K107-F121 HydrophobicContact CD-CD1 4.29Å; K107-F121 HydrophobicContact CD-CE1 4.45Å; K107-F121 HydrophobicContact CG-CD1 4.42Å; K107-F121 HydrophobicContact CG-CE1 4.38Å; K107-F121 HydrophobicContact CG-CZ 4.45Å
108I53.6Low70.1Confident132 Ų13273 Ų7368%0.67738%0.382SS*.THydrogen-bonded Turntrans-64.8-31.3-176.4-59.9174.1000112.9N106N106-I108 PolarHBondContact O-N 3.33Å; N106-I108 PolarHBondContact OD1-N 2.78Å
109L57.6Low69.8Low82 Ų8279.3 Ų79.343%0.42942%0.415SS..THydrogen-bonded Turntrans-94.4-12.9-176.6-61.8178.8000113.7M105 N106 K107 K111 Y145M105-L109 HydrophobicContact CB-CB 4.29Å; M105-L109 HydrophobicContact SD-CB 4.16Å; N106-L109 PolarHBondContact O-N 2.98Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.4Å; L109-K111 PolarHBondContact O-N 3.29Å; L109-Y145 HydrophobicContact CD1-CD1 3.44Å; L109-Y145 VanDerWaalsContact CD1-CD1 3.44Å; L109-Y145 HydrophobicContact CD1-CE1 3.39Å; L109-Y145 HydrophobicContact CD1-CG 4.44Å
110R64Low69.7Low42 Ų4281.2 Ų81.216%0.15842%0.423CS..  trans-74.193.2177.1-70.1176.674.6103.1-2.5109.8M105 K107 Y112 D116M105-R110 HydrophobicContact CB-CG 4.38Å; K107-R110 PolarHBondContact O-N 2.83Å; R110-Y112 HydrophobicContact CB-CD2 4.2Å; R110-Y112 HydrophobicContact CB-CE2 3.73Å; R110-Y112 HydrophobicContact CG-CE2 3.94Å; R110-D116 IonicContact NE-OD2 3.65Å; R110-D116 IonicContact NH2-OD1 2.76Å; R110-D116 IonicContact NH2-OD2 2.73Å
111K62.6Low69.5Low191 Ų19182.2 Ų82.283%0.8343%0.427SS*.  trans-105.4103.1168-68.3-175.7-178.1176.60109.4L109L109-K111 PolarHBondContact O-N 3.29Å
112Y67.1Low69.9Low113 Ų11385.1 Ų85.144%0.44345%0.451SS..  trans-120.2154.1172.6-56.1-70.9000110.3R110 T114R110-Y112 HydrophobicContact CB-CD2 4.2Å; R110-Y112 HydrophobicContact CB-CE2 3.73Å; R110-Y112 HydrophobicContact CG-CE2 3.94Å; Y112-T114 VanDerWaalsContact C-N 3.32Å
113N70Confident70.9Confident173 Ų17389.4 Ų89.493%0.92547%0.468SS*.SBendtrans-67.1-35.5175.4-69.9-17.5000111.8
114T77.6Confident72.4Confident115 Ų11590.9 Ų90.971%0.70647%0.473SS*.SBendtrans-100.2116.8176.2-52.10000108.8Y112Y112-T114 VanDerWaalsContact C-N 3.32Å
115P78.3Confident74Confident110 Ų11090.8 Ų90.871%0.71447%0.473SS*.PPolyproline II helixtrans-69.6146.6177.128.2-32.9000111
116D82.4Confident75.6Confident57 Ų5792.5 Ų92.531%0.30548%0.476SS..PPolyproline II helixtrans-58.4147.2170.8-65.2-31.9000110.3R110 Y120R110-D116 IonicContact NE-OD2 3.65Å; R110-D116 IonicContact NH2-OD1 2.76Å; R110-D116 IonicContact NH2-OD2 2.73Å; D116-Y120 HydrophobicContact CB-CD1 4Å; D116-Y120 HydrophobicContact CB-CG 4.4Å
117P85.3Confident77.3Confident79 Ų7992.1 Ų92.151%0.51348%0.476SS..PPolyproline II helixtrans-55.5155.9172.5-23.732.3000112.3N119 Y120P117-N119 PolarHBondContact O-N 2.79Å; P117-Y120 HydrophobicContact CG-CD2 4.41Å; P117-Y120 WeakPolarHBondContact O-CB 3.41Å; P117-Y120 PolarHBondContact O-N 2.92Å
118P87.1Confident78.9Confident121 Ų12185.3 Ų85.379%0.78645%0.447SS*.THydrogen-bonded Turntrans-50.2132.1177-2734.6000112Y120P118-Y120 PolarHBondContact O-N 2.82Å
119N86.7Confident80.3Confident132 Ų13280.2 Ų80.271%0.70642%0.419SS*.THydrogen-bonded Turntrans63.3-2.3-178.6-54.3-40.1000116.6P117 F121 A122 K123P117-N119 PolarHBondContact O-N 2.79Å; N119-F121 VanDerWaalsContact C-N 3.31Å; N119-F121 PolarHBondContact O-N 3.34Å; N119-A122 PolarHBondContact O-N 3.12Å; N119-K123 WeakPolarHBondContact O-CB 3.3Å; N119-K123 PolarHBondContact O-N 3.21Å
120Y87.5Confident81.5Confident43 Ų4380.1 Ų80.117%0.16942%0.419CS..Hα-helixtrans-55.7-46.8-179.9-178-91.1000111.7N65 D67 D116 P117 P118 A122 K123 Y124 V125N65-Y120 VanDerWaalsContact CG-OH 3.3Å; N65-Y120 VanDerWaalsContact ND2-CE2 3.26Å; N65-Y120 WeakPolarHBondContact ND2-CE2 3.35Å; N65-Y120 PolarHBondContact ND2-OH 2.96Å; N65-Y120 VanDerWaalsContact ND2-OH 3.11Å; N65-Y120 PolarHBondContact OD1-OH 3.45Å; D67-Y120 HydrophobicContact CB-CE1 4.4Å; D67-Y120 VanDerWaalsContact OD2-CE1 3.32Å; D67-Y120 WeakPolarHBondContact OD2-CE1 3.47Å; D67-Y120 PolarHBondContact OD2-OH 3.3Å; D116-Y120 HydrophobicContact CB-CD1 4Å; D116-Y120 HydrophobicContact CB-CG 4.4Å; P117-Y120 HydrophobicContact CG-CD2 4.41Å; P117-Y120 WeakPolarHBondContact O-CB 3.41Å; P117-Y120 PolarHBondContact O-N 2.92Å; P118-Y120 PolarHBondContact O-N 2.82Å; Y120-A122 PolarHBondContact O-N 3Å; Y120-K123 PolarHBondContact O-N 3.45Å; Y120-Y124 AromaticContact CD2-CD2 3.56Å; Y120-Y124 HydrophobicContact CD2-CD2 3.56Å; Y120-Y124 AromaticContact CD2-CE2 3.97Å; Y120-Y124 HydrophobicContact CD2-CE2 3.97Å; Y120-Y124 AromaticContact CE2-CD2 3.74Å; Y120-Y124 HydrophobicContact CE2-CD2 3.74Å; Y120-Y124 HydrophobicContact CE2-CE2 4.25Å; Y120-Y124 HydrophobicContact CG-CD2 4.1Å; Y120-Y124 PolarHBondContact O-N 3.27Å; Y120-V125 HydrophobicContact CD1-CG2 3.73Å; Y120-V125 HydrophobicContact CE1-CG2 3.54Å
121F85.9Confident82.5Confident27 Ų2782.3 Ų82.312%0.11843%0.427CS..Iπ-helixtrans-58.6-51.7177.5-177.3-85.3000112K107 N119 K123 V125 W126K107-F121 HydrophobicContact CB-CD1 4.32Å; K107-F121 HydrophobicContact CB-CE1 3.79Å; K107-F121 HydrophobicContact CB-CE2 4.01Å; K107-F121 HydrophobicContact CB-CZ 3.63Å; K107-F121 HydrophobicContact CD-CD1 4.29Å; K107-F121 HydrophobicContact CD-CE1 4.45Å; K107-F121 HydrophobicContact CG-CD1 4.42Å; K107-F121 HydrophobicContact CG-CE1 4.38Å; K107-F121 HydrophobicContact CG-CZ 4.45Å; N119-F121 VanDerWaalsContact C-N 3.31Å; N119-F121 PolarHBondContact O-N 3.34Å; F121-K123 PolarHBondContact O-N 2.96Å; F121-V125 HydrophobicContact CD2-CB 3.83Å; F121-V125 HydrophobicContact CD2-CG1 3.41Å; F121-V125 VanDerWaalsContact CD2-CG1 3.41Å; F121-V125 HydrophobicContact CD2-CG2 4.49Å; F121-V125 HydrophobicContact CE2-CB 4.2Å; F121-V125 HydrophobicContact CE2-CG1 3.43Å; F121-V125 VanDerWaalsContact CE2-CG1 3.43Å; F121-V125 HydrophobicContact CG-CB 4.23Å; F121-V125 HydrophobicContact CG-CG1 4.27Å; F121-V125 HydrophobicContact CZ-CG1 4.32Å; F121-V125 WeakPolarHBondContact O-CB 3.37Å; F121-V125 PolarHBondContact O-N 3.49Å; F121-W126 HydrophobicContact CD1-CB 4.06Å; F121-W126 HydrophobicContact CE1-CB 3.69Å; F121-W126 HydrophobicContact CE1-CD2 4.14Å; F121-W126 AromaticContact CE1-CE3 3.83Å; F121-W126 HydrophobicContact CE1-CE3 3.83Å; F121-W126 HydrophobicContact CE1-CG 4.12Å; F121-W126 HydrophobicContact CZ-CB 4.32Å; F121-W126 AromaticContact CZ-CE3 3.83Å; F121-W126 HydrophobicContact CZ-CE3 3.83Å; F121-W126 WeakPolarHBondContact O-CB 3.47Å; F121-W126 PolarHBondContact O-N 3.1Å
122A88.1Confident83.5Confident63 Ų6373.4 Ų73.452%0.52139%0.389SS..Iπ-helixtrans-65.8-28.7-177.700000112.6N119 Y120N119-A122 PolarHBondContact O-N 3.12Å; Y120-A122 PolarHBondContact O-N 3Å
123K89.5Confident84.1Confident131 Ų13169.4 Ų69.457%0.5738%0.375SS*.Iπ-helixtrans-87.7-38.5-174.1-171.6176.5179.3-165.90113.9N119 Y120 F121N119-K123 WeakPolarHBondContact O-CB 3.3Å; N119-K123 PolarHBondContact O-N 3.21Å; Y120-K123 PolarHBondContact O-N 3.45Å; F121-K123 PolarHBondContact O-N 2.96Å
124Y88.3Confident84.8Confident42 Ų4266.7 Ų66.717%0.16536%0.36CS..Iπ-helixtrans-117.9-49.4-171.9-57.6-64.3000112I56 C68 Y120 T128I56-Y124 HydrophobicContact CD1-CE1 4.04Å; I56-Y124 HydrophobicContact CG2-CE1 4.13Å; C68-Y124 HydrophobicContact CB-CD1 4.49Å; C68-Y124 WeakPolarHBondContact SG-CD1 3.42Å; Y120-Y124 AromaticContact CD2-CD2 3.56Å; Y120-Y124 HydrophobicContact CD2-CD2 3.56Å; Y120-Y124 AromaticContact CD2-CE2 3.97Å; Y120-Y124 HydrophobicContact CD2-CE2 3.97Å; Y120-Y124 AromaticContact CE2-CD2 3.74Å; Y120-Y124 HydrophobicContact CE2-CD2 3.74Å; Y120-Y124 HydrophobicContact CE2-CE2 4.25Å; Y120-Y124 HydrophobicContact CG-CD2 4.1Å; Y120-Y124 PolarHBondContact O-N 3.27Å; Y124-T128 PolarHBondContact O-OG1 2.96Å
125V85.2Confident84.8Confident0 Ų062.3 Ų62.30%033%0.332CS..Iπ-helixtrans-75.1-47.8-169-178.80000111.3D67 I104 Y120 F121 T128 Y129D67-V125 HydrophobicContact CB-CG2 4.08Å; I104-V125 HydrophobicContact CB-CG1 4.3Å; I104-V125 HydrophobicContact CD1-CG1 4.25Å; I104-V125 HydrophobicContact CG2-CB 4.1Å; I104-V125 HydrophobicContact CG2-CG1 2.98Å; I104-V125 WeakPolarHBondContact CG2-O 3.39Å; Y120-V125 HydrophobicContact CD1-CG2 3.73Å; Y120-V125 HydrophobicContact CE1-CG2 3.54Å; F121-V125 HydrophobicContact CD2-CB 3.83Å; F121-V125 HydrophobicContact CD2-CG1 3.41Å; F121-V125 VanDerWaalsContact CD2-CG1 3.41Å; F121-V125 HydrophobicContact CD2-CG2 4.49Å; F121-V125 HydrophobicContact CE2-CB 4.2Å; F121-V125 HydrophobicContact CE2-CG1 3.43Å; F121-V125 VanDerWaalsContact CE2-CG1 3.43Å; F121-V125 HydrophobicContact CG-CB 4.23Å; F121-V125 HydrophobicContact CG-CG1 4.27Å; F121-V125 HydrophobicContact CZ-CG1 4.32Å; F121-V125 WeakPolarHBondContact O-CB 3.37Å; F121-V125 PolarHBondContact O-N 3.49Å; V125-T128 PolarHBondContact O-N 3.02Å; V125-Y129 PolarHBondContact O-N 3.4Å; V125-Y129 VanDerWaalsContact O-N 3.1Å
126W85.5Confident84.7Confident94 Ų9458.1 Ų58.136%0.35630%0.304SS..Hα-helixtrans-66.6-43.8-177.3-174.1-117.4000114.3F121 T128 Y129 L130F121-W126 HydrophobicContact CD1-CB 4.06Å; F121-W126 HydrophobicContact CE1-CB 3.69Å; F121-W126 HydrophobicContact CE1-CD2 4.14Å; F121-W126 AromaticContact CE1-CE3 3.83Å; F121-W126 HydrophobicContact CE1-CE3 3.83Å; F121-W126 HydrophobicContact CE1-CG 4.12Å; F121-W126 HydrophobicContact CZ-CB 4.32Å; F121-W126 AromaticContact CZ-CE3 3.83Å; F121-W126 HydrophobicContact CZ-CE3 3.83Å; F121-W126 WeakPolarHBondContact O-CB 3.47Å; F121-W126 PolarHBondContact O-N 3.1Å; W126-T128 PolarHBondContact O-N 3.04Å; W126-Y129 AromaticContact CE3-CD1 3.6Å; W126-Y129 HydrophobicContact CE3-CD1 3.6Å; W126-Y129 HydrophobicContact CE3-CE1 4.3Å; W126-Y129 HydrophobicContact CE3-CG 4.36Å; W126-Y129 AromaticContact CH2-CD1 3.78Å; W126-Y129 HydrophobicContact CH2-CD1 3.78Å; W126-Y129 AromaticContact CH2-CE1 3.73Å; W126-Y129 HydrophobicContact CH2-CE1 3.73Å; W126-Y129 AromaticContact CZ3-CD1 3.18Å; W126-Y129 HydrophobicContact CZ3-CD1 3.18Å; W126-Y129 AromaticContact CZ3-CE1 3.42Å; W126-Y129 HydrophobicContact CZ3-CE1 3.42Å; W126-Y129 VanDerWaalsContact CZ3-CE1 3.42Å; W126-Y129 HydrophobicContact CZ3-CG 4.23Å; W126-Y129 WeakPolarHBondContact O-CB 3.47Å; W126-Y129 PolarHBondContact O-N 3.08Å; W126-L130 HydrophobicContact CD2-CG 4.37Å; W126-L130 HydrophobicContact CH2-CD2 4.23Å; W126-L130 HydrophobicContact CZ2-CD1 4.43Å; W126-L130 HydrophobicContact CZ2-CD2 3.76Å; W126-L130 HydrophobicContact CZ2-CG 4.2Å; W126-L130 WeakPolarHBondContact O-CG 3.47Å; W126-L130 PolarHBondContact O-N 2.9Å
127P87.6Confident84.2Confident42 Ų4264.1 Ų64.127%0.27333%0.33SS..Hα-helixtrans-59.8-44.3174.4-25.636.8000113.1Y129 L130 R131P127-Y129 VanDerWaalsContact C-N 3.31Å; P127-Y129 PolarHBondContact O-N 2.87Å; P127-L130 PolarHBondContact O-N 2.88Å; P127-R131 PolarHBondContact O-N 3.29Å
128T86.8Confident83.3Confident3 Ų363.9 Ų63.92%0.01832%0.319CS..Hα-helixtrans-58.6-42.7175.9-59.10000111.6D67 E69 W74 I104 Y124 V125 W126 R131 T132D67-T128 PolarHBondContact O-OG1 3.44Å; E69-T128 WeakPolarHBondContact CA-OG1 3.46Å; E69-T128 PolarHBondContact N-OG1 2.79Å; W74-T128 HydrophobicContact CH2-CG2 4.33Å; W74-T128 HydrophobicContact CZ2-CG2 4.04Å; I104-T128 HydrophobicContact CD1-CG2 3.65Å; Y124-T128 PolarHBondContact O-OG1 2.96Å; V125-T128 PolarHBondContact O-N 3.02Å; W126-T128 PolarHBondContact O-N 3.04Å; T128-R131 PolarHBondContact O-N 3.39Å; T128-T132 PolarHBondContact O-N 2.97Å; T128-T132 PolarHBondContact O-OG1 3.3Å
129Y83.5Confident82.1Confident24 Ų2461 Ų619%0.09430%0.302CS..Hα-helixtrans-61-49.6174.7172.9-109.4000112.3I104 V125 W126 P127 R131 T132 L133I104-Y129 WeakPolarHBondContact O-CD2 3.5Å; I104-Y129 WeakPolarHBondContact O-CE2 3.42Å; V125-Y129 PolarHBondContact O-N 3.4Å; V125-Y129 VanDerWaalsContact O-N 3.1Å; W126-Y129 AromaticContact CE3-CD1 3.6Å; W126-Y129 HydrophobicContact CE3-CD1 3.6Å; W126-Y129 HydrophobicContact CE3-CE1 4.3Å; W126-Y129 HydrophobicContact CE3-CG 4.36Å; W126-Y129 AromaticContact CH2-CD1 3.78Å; W126-Y129 HydrophobicContact CH2-CD1 3.78Å; W126-Y129 AromaticContact CH2-CE1 3.73Å; W126-Y129 HydrophobicContact CH2-CE1 3.73Å; W126-Y129 AromaticContact CZ3-CD1 3.18Å; W126-Y129 HydrophobicContact CZ3-CD1 3.18Å; W126-Y129 AromaticContact CZ3-CE1 3.42Å; W126-Y129 HydrophobicContact CZ3-CE1 3.42Å; W126-Y129 VanDerWaalsContact CZ3-CE1 3.42Å; W126-Y129 HydrophobicContact CZ3-CG 4.23Å; W126-Y129 WeakPolarHBondContact O-CB 3.47Å; W126-Y129 PolarHBondContact O-N 3.08Å; P127-Y129 VanDerWaalsContact C-N 3.31Å; P127-Y129 PolarHBondContact O-N 2.87Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 3.41Å; Y129-T132 PolarHBondContact O-N 3.23Å; Y129-T132 VanDerWaalsContact O-N 3.12Å; Y129-L133 HydrophobicContact CD1-CD1 4.17Å; Y129-L133 HydrophobicContact CE1-CD1 3.51Å; Y129-L133 HydrophobicContact CE1-CG 4.22Å; Y129-L133 HydrophobicContact CE2-CD1 4.23Å; Y129-L133 HydrophobicContact CE2-CD2 4.16Å; Y129-L133 HydrophobicContact CE2-CG 4.14Å; Y129-L133 PolarHBondContact O-N 3.24Å
130L83.8Confident80.8Confident80 Ų8063 Ų6342%0.41930%0.304SS..Hα-helixtrans-60.7-41179-70-179.5000112W126 P127 T132 L133 D134W126-L130 HydrophobicContact CD2-CG 4.37Å; W126-L130 HydrophobicContact CH2-CD2 4.23Å; W126-L130 HydrophobicContact CZ2-CD1 4.43Å; W126-L130 HydrophobicContact CZ2-CD2 3.76Å; W126-L130 HydrophobicContact CZ2-CG 4.2Å; W126-L130 WeakPolarHBondContact O-CG 3.47Å; W126-L130 PolarHBondContact O-N 2.9Å; P127-L130 PolarHBondContact O-N 2.88Å; L130-T132 VanDerWaalsContact C-N 3.3Å; L130-T132 PolarHBondContact O-N 3.38Å; L130-L133 PolarHBondContact O-N 3.42Å; L130-D134 WeakPolarHBondContact O-CB 3.41Å; L130-D134 PolarHBondContact O-N 3.36Å
131R84.4Confident79.6Confident89 Ų8967.8 Ų67.834%0.33633%0.332SS..Hα-helixtrans-62.3-39175.2179165.4-62.4-82.812.2112.2E69 W74 P127 T128 Y129 L133 D134 I135E69-R131 IonicContact OE1-CZ 3.96Å; E69-R131 IonicContact OE1-NE 3.7Å; E69-R131 PolarHBondContact OE1-NE 2.94Å; E69-R131 IonicContact OE1-NH2 3.77Å; E69-R131 PolarHBondContact OE1-NH2 3.36Å; E69-R131 IonicContact OE2-NE 3.74Å; E69-R131 IonicContact OE2-NH2 3.52Å; W74-R131 HydrophobicContact CD2-CG 4.06Å; W74-R131 VanDerWaalsContact CE2-CD 3.41Å; W74-R131 HydrophobicContact CE3-CG 4.26Å; W74-R131 HydrophobicContact CH2-CG 4.3Å; W74-R131 HydrophobicContact CZ2-CB 4.44Å; W74-R131 HydrophobicContact CZ2-CG 4.15Å; W74-R131 HydrophobicContact CZ3-CG 4.35Å; P127-R131 PolarHBondContact O-N 3.29Å; T128-R131 PolarHBondContact O-N 3.39Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 3.41Å; R131-L133 VanDerWaalsContact C-N 3.34Å; R131-D134 PolarHBondContact O-N 3.19Å; R131-I135 HydrophobicContact CG-CD1 3.73Å; R131-I135 HydrophobicContact CG-CG1 4.34Å; R131-I135 WeakPolarHBondContact O-CG1 2.89Å; R131-I135 PolarHBondContact O-N 3.31Å
132T82.9Confident78.9Confident4 Ų469.2 Ų69.23%0.02535%0.346CS..Hα-helixtrans-65-42.5177.5-43.90000110.6M43 W74 L103 T128 Y129 L130 D134 L136M43-T132 HydrophobicContact CE-CG2 3.9Å; M43-T132 HydrophobicContact SD-CG2 4.17Å; W74-T132 WeakPolarHBondContact CH2-OG1 3.41Å; L103-T132 HydrophobicContact CD2-CG2 3.23Å; L103-T132 HydrophobicContact CG-CG2 3.99Å; T128-T132 PolarHBondContact O-N 2.97Å; T128-T132 PolarHBondContact O-OG1 3.3Å; Y129-T132 PolarHBondContact O-N 3.23Å; Y129-T132 VanDerWaalsContact O-N 3.12Å; L130-T132 VanDerWaalsContact C-N 3.3Å; L130-T132 PolarHBondContact O-N 3.38Å; T132-D134 VanDerWaalsContact C-N 3.33Å; T132-D134 PolarHBondContact O-N 3.22Å; T132-L136 HydrophobicContact CG2-CD1 4.1Å; T132-L136 HydrophobicContact CG2-CG 4.44Å; T132-L136 WeakPolarHBondContact O-CB 3.32Å; T132-L136 WeakPolarHBondContact O-CG 3.48Å; T132-L136 PolarHBondContact O-N 2.93Å; T132-L136 VanDerWaalsContact O-N 3.08Å
133L80.7Confident78.1Confident29 Ų2968.3 Ų68.315%0.15233%0.332CS..Hα-helixtrans-61.7-40.2174.7-66-176.9000112.8Y129 L130 R131 L136 E137 Y138Y129-L133 HydrophobicContact CD1-CD1 4.17Å; Y129-L133 HydrophobicContact CE1-CD1 3.51Å; Y129-L133 HydrophobicContact CE1-CG 4.22Å; Y129-L133 HydrophobicContact CE2-CD1 4.23Å; Y129-L133 HydrophobicContact CE2-CD2 4.16Å; Y129-L133 HydrophobicContact CE2-CG 4.14Å; Y129-L133 PolarHBondContact O-N 3.24Å; L130-L133 PolarHBondContact O-N 3.42Å; R131-L133 VanDerWaalsContact C-N 3.34Å; L133-L136 PolarHBondContact O-N 3.43Å; L133-E137 PolarHBondContact O-N 3.32Å; L133-Y138 HydrophobicContact CD2-CD1 4.33Å; L133-Y138 HydrophobicContact CD2-CG 4.21Å; L133-Y138 WeakPolarHBondContact O-CB 3.43Å; L133-Y138 PolarHBondContact O-N 2.82Å
134D83.1Confident77.7Confident116 Ų11666.3 Ų66.362%0.6232%0.322SS*.Hα-helixtrans-63.8-48.8178.8-173.762.1000111.7L130 R131 T132 L136 E137L130-D134 WeakPolarHBondContact O-CB 3.41Å; L130-D134 PolarHBondContact O-N 3.36Å; R131-D134 PolarHBondContact O-N 3.19Å; T132-D134 VanDerWaalsContact C-N 3.33Å; T132-D134 PolarHBondContact O-N 3.22Å; D134-L136 VanDerWaalsContact C-N 3.27Å; D134-L136 PolarHBondContact O-N 3.48Å; D134-E137 WeakPolarHBondContact O-CA 3.49Å; D134-E137 PolarHBondContact O-N 3.21Å
135I78.5Confident77.3Confident23 Ų2370.9 Ų70.912%0.11834%0.339CS..Hα-helixtrans-63.3-34.5178.1-72.2169.9000112W74 I77 I78 M81 R131 E137W74-I135 HydrophobicContact CB-CD1 4.16Å; W74-I135 HydrophobicContact CD2-CD1 3.81Å; W74-I135 HydrophobicContact CE3-CD1 3.17Å; W74-I135 HydrophobicContact CG-CD1 4.25Å; W74-I135 HydrophobicContact CZ3-CD1 3.8Å; I77-I135 HydrophobicContact CG2-CG2 4.31Å; I78-I135 HydrophobicContact CD1-CD1 4.03Å; I78-I135 HydrophobicContact CD1-CG1 4.11Å; I78-I135 HydrophobicContact CG1-CD1 4.13Å; I78-I135 HydrophobicContact CG1-CG1 4.11Å; I78-I135 HydrophobicContact CG1-CG2 4.03Å; M81-I135 HydrophobicContact CE-CG2 4.38Å; M81-I135 WeakPolarHBondContact CE-O 3.49Å; M81-I135 HydrophobicContact SD-CG2 3.7Å; R131-I135 HydrophobicContact CG-CD1 3.73Å; R131-I135 HydrophobicContact CG-CG1 4.34Å; R131-I135 WeakPolarHBondContact O-CG1 2.89Å; R131-I135 PolarHBondContact O-N 3.31Å; I135-E137 PolarHBondContact O-N 3.19Å
136L75.4Confident77.2Confident22 Ų2274.7 Ų74.712%0.11536%0.356CS..THydrogen-bonded Turntrans-78.73.1175.9-63.9-179.7000113.3V9 M81 I99 L103 T132 L133 D134 Y138V9-L136 HydrophobicContact CG1-CD2 4.11Å; M81-L136 HydrophobicContact CE-CD2 3.98Å; M81-L136 HydrophobicContact SD-CD2 4.29Å; I99-L136 HydrophobicContact CD1-CD2 3.27Å; I99-L136 HydrophobicContact CG1-CD2 4.45Å; L103-L136 HydrophobicContact CD2-CD1 4.15Å; T132-L136 HydrophobicContact CG2-CD1 4.1Å; T132-L136 HydrophobicContact CG2-CG 4.44Å; T132-L136 WeakPolarHBondContact O-CB 3.32Å; T132-L136 WeakPolarHBondContact O-CG 3.48Å; T132-L136 PolarHBondContact O-N 2.93Å; T132-L136 VanDerWaalsContact O-N 3.08Å; L133-L136 PolarHBondContact O-N 3.43Å; D134-L136 VanDerWaalsContact C-N 3.27Å; D134-L136 PolarHBondContact O-N 3.48Å; L136-Y138 HydrophobicContact CB-CD2 4.08Å; L136-Y138 HydrophobicContact CD1-CD2 4.42Å; L136-Y138 PolarHBondContact O-N 3.33Å; L136-Y138 VanDerWaalsContact O-N 3.12Å
137E72.1Confident77Confident183 Ų18374 Ų7486%0.85536%0.359SS*.THydrogen-bonded Turntrans46.640-174-63.4-172.7164.900112.1L133 D134 I135L133-E137 PolarHBondContact O-N 3.32Å; D134-E137 WeakPolarHBondContact O-CA 3.49Å; D134-E137 PolarHBondContact O-N 3.21Å; I135-E137 PolarHBondContact O-N 3.19Å
138Y67Low76.6Confident74 Ų7475.8 Ų75.829%0.2937%0.373SS..  trans-81.9133.8-160-151.8-81.9000112.9L133 L136 S142 I143L133-Y138 HydrophobicContact CD2-CD1 4.33Å; L133-Y138 HydrophobicContact CD2-CG 4.21Å; L133-Y138 WeakPolarHBondContact O-CB 3.43Å; L133-Y138 PolarHBondContact O-N 2.82Å; L136-Y138 HydrophobicContact CB-CD2 4.08Å; L136-Y138 HydrophobicContact CD1-CD2 4.42Å; L136-Y138 PolarHBondContact O-N 3.33Å; L136-Y138 VanDerWaalsContact O-N 3.12Å; Y138-S142 PolarHBondContact OH-O 2.89Å; Y138-I143 HydrophobicContact CD1-CD1 4.49Å; Y138-I143 HydrophobicContact CD1-CG1 3.97Å; Y138-I143 HydrophobicContact CE1-CB 4.29Å; Y138-I143 HydrophobicContact CE1-CD1 4.17Å; Y138-I143 HydrophobicContact CE1-CG1 3.22Å; Y138-I143 WeakPolarHBondContact OH-CA 3.45Å; Y138-I143 PolarHBondContact OH-N 2.67Å
139S61.3Low76.4Confident59 Ų5981.9 Ų81.941%0.41341%0.405SS..  trans-90.9133.4165.4178.60000111.1D141 S142S139-D141 PolarHBondContact O-N 3.27Å; S139-S142 WeakPolarHBondContact O-CB 3.4Å; S139-S142 PolarHBondContact O-N 3.5Å
140K59.7Low76.5Confident176 Ų17685.4 Ų85.477%0.76543%0.426SS*.G310 helixtrans-53.4-29.1178.1-73.4-176.6179.21760113.5S142 I143K140-S142 PolarHBondContact O-N 2.94Å; K140-I143 PolarHBondContact O-N 2.95Å
141D61.9Low76.7Confident142 Ų14283.3 Ų83.376%0.75942%0.423SS*.G310 helixtrans-71.9-7.2-179.9-59.3-38.1000113.7S139S139-D141 PolarHBondContact O-N 3.27Å
142S71.4Confident76.9Confident58 Ų5883 Ų8341%0.40643%0.427SS..G310 helixtrans-96.6-1.1176.9-60.70000113.6Y138 S139 K140 Y144Y138-S142 PolarHBondContact OH-O 2.89Å; S139-S142 WeakPolarHBondContact O-CB 3.4Å; S139-S142 PolarHBondContact O-N 3.5Å; K140-S142 PolarHBondContact O-N 2.94Å; S142-Y144 WeakPolarHBondContact O-CD2 3.3Å; S142-Y144 WeakPolarHBondContact O-CE2 3.48Å
143I72.3Confident77.3Confident43 Ų4389.1 Ų89.122%0.22146%0.456CS..  trans-83.3123.7-178.9-54.2-177.2000110.6Y138 K140 Y145Y138-I143 HydrophobicContact CD1-CD1 4.49Å; Y138-I143 HydrophobicContact CD1-CG1 3.97Å; Y138-I143 HydrophobicContact CE1-CB 4.29Å; Y138-I143 HydrophobicContact CE1-CD1 4.17Å; Y138-I143 HydrophobicContact CE1-CG1 3.22Å; Y138-I143 WeakPolarHBondContact OH-CA 3.45Å; Y138-I143 PolarHBondContact OH-N 2.67Å; K140-I143 PolarHBondContact O-N 2.95Å; I143-Y145 HydrophobicContact CG2-CD2 4.31Å; I143-Y145 HydrophobicContact CG2-CE1 4.04Å; I143-Y145 HydrophobicContact CG2-CE2 3.73Å
144Y80.1Confident77.9Confident90 Ų9090.6 Ų90.635%0.35347%0.466SS..  trans-113.5133.8173-58-86.9000109.9S142 C162 K166S142-Y144 WeakPolarHBondContact O-CD2 3.3Å; S142-Y144 WeakPolarHBondContact O-CE2 3.48Å; Y144-C162 VanDerWaalsContact CD1-SG 3.53Å; Y144-C162 VanDerWaalsContact CG-SG 3.5Å; Y144-K166 HydrophobicContact CE2-CD 4.25Å; Y144-K166 HydrophobicContact CE2-CG 4.22Å; Y144-K166 VanDerWaalsContact CZ-CE 3.41Å; Y144-K166 WeakPolarHBondContact OH-CD 3.19Å; Y144-K166 WeakPolarHBondContact OH-CE 3.2Å; Y144-K166 PolarHBondContact OH-NZ 2.97Å
145Y80.9Confident78.3Confident138 Ų13886.1 Ų86.154%0.54144%0.442SS..  trans-108126.4174.9-62.5-77.3000108.5L109 I143L109-Y145 HydrophobicContact CD1-CD1 3.44Å; L109-Y145 VanDerWaalsContact CD1-CD1 3.44Å; L109-Y145 HydrophobicContact CD1-CE1 3.39Å; L109-Y145 HydrophobicContact CD1-CG 4.44Å; I143-Y145 HydrophobicContact CG2-CD2 4.31Å; I143-Y145 HydrophobicContact CG2-CE1 4.04Å; I143-Y145 HydrophobicContact CG2-CE2 3.73Å
146F83.5Confident79Confident79 Ų7986.3 Ų86.335%0.34644%0.442SS..  trans-115.9141.3177.3-57.9-89.8000109.9L155 E158 I159 C162F146-L155 HydrophobicContact CB-CD1 3.27Å; F146-L155 HydrophobicContact CG-CD1 4.11Å; F146-E158 HydrophobicContact CD1-CB 3.89Å; F146-E158 HydrophobicContact CE1-CB 4.06Å; F146-I159 HydrophobicContact CD1-CG1 4.03Å; F146-I159 HydrophobicContact CD2-CG1 3.9Å; F146-I159 HydrophobicContact CE1-CG1 4.06Å; F146-I159 HydrophobicContact CE2-CG1 3.93Å; F146-I159 HydrophobicContact CG-CG1 3.95Å; F146-I159 HydrophobicContact CZ-CG1 4.02Å; F146-C162 HydrophobicContact CE1-CB 4.03Å; F146-C162 HydrophobicContact CZ-CB 3.65Å
147D80.1Confident79.9Confident79 Ų7989.9 Ų89.942%0.42246%0.457SS..  trans-93.8125.8176.6-170.5-5.1000110.2N149D147-N149 VanDerWaalsContact C-N 3.3Å; D147-N149 VanDerWaalsContact CG-ND2 3.28Å; D147-N149 VanDerWaalsContact OD1-CB 3.3Å; D147-N149 WeakPolarHBondContact OD1-CB 3.49Å; D147-N149 PolarHBondContact OD1-N 2.84Å; D147-N149 PolarHBondContact OD1-ND2 3.17Å; D147-N149 PolarHBondContact OD2-ND2 2.84Å
148S80Confident81Confident80 Ų8084.3 Ų84.356%0.55943%0.431SS*.G310 helixtrans-80.8-6.6176.559.50000114.1N150 G151S148-N150 PolarHBondContact O-N 3.44Å; S148-G151 PolarHBondContact O-N 3.39Å
149N82.3Confident82.2Confident131 Ų13181.7 Ų81.770%0.70142%0.421SS*.G310 helixtrans-62-23.5-177.3-70.5-37.8000114D147 G151D147-N149 VanDerWaalsContact C-N 3.3Å; D147-N149 VanDerWaalsContact CG-ND2 3.28Å; D147-N149 VanDerWaalsContact OD1-CB 3.3Å; D147-N149 WeakPolarHBondContact OD1-CB 3.49Å; D147-N149 PolarHBondContact OD1-N 2.84Å; D147-N149 PolarHBondContact OD1-ND2 3.17Å; D147-N149 PolarHBondContact OD2-ND2 2.84Å; N149-G151 VanDerWaalsContact C-N 3.27Å; N149-G151 PolarHBondContact O-N 3.03Å
150N84.9Confident83.8Confident99 Ų9978.9 Ų78.953%0.52940%0.402SS..G310 helixtrans-86.48.4-179.5-62.9-32.6000113.8S148 T154S148-N150 PolarHBondContact O-N 3.44Å; N150-T154 HydrophobicContact CB-CG2 3.94Å; N150-T154 WeakPolarHBondContact O-CB 3.42Å; N150-T154 PolarHBondContact O-OG1 3.32Å
151G88.4Confident85.4Confident35 Ų3574.9 Ų74.936%0.36139%0.386SS..  trans89.1156.4-179.900000114S148 N149 E153 T154 L155S148-G151 PolarHBondContact O-N 3.39Å; N149-G151 VanDerWaalsContact C-N 3.27Å; N149-G151 PolarHBondContact O-N 3.03Å; G151-E153 VanDerWaalsContact C-N 3.32Å; G151-E153 PolarHBondContact O-N 3.32Å; G151-T154 PolarHBondContact O-N 2.61Å; G151-L155 WeakPolarHBondContact O-CB 3.43Å; G151-L155 PolarHBondContact O-N 3.45Å
152I88.8Confident86.8Confident82 Ų8268.9 Ų68.942%0.42136%0.355SS..Hα-helixtrans-65.2-30.6-170.6-166.967.4000113.9M23 L155 F156M23-I152 HydrophobicContact CE-CD1 3.39Å; M23-I152 HydrophobicContact CE-CG1 4.05Å; I152-L155 HydrophobicContact CD1-CD2 4.39Å; I152-F156 VanDerWaalsContact O-CB 3.28Å; I152-F156 WeakPolarHBondContact O-CB 3.42Å; I152-F156 PolarHBondContact O-N 2.89Å
153E91.6Very high87.8Confident134 Ų13467 Ų6763%0.62634%0.341SS*.Hα-helixtrans-73.9-43179.2-68.2-179.9-179.100112G151 F156 K157G151-E153 VanDerWaalsContact C-N 3.32Å; G151-E153 PolarHBondContact O-N 3.32Å; E153-F156 PolarHBondContact O-N 2.85Å; E153-K157 WeakPolarHBondContact O-CG 3.15Å; E153-K157 PolarHBondContact O-N 3.45Å
154T92.3Very high88.7Confident60 Ų6065.6 Ų65.637%0.36833%0.334SS..Hα-helixtrans-61.4-49.1174.3-49.10000109.9N150 G151 F156 K157 E158N150-T154 HydrophobicContact CB-CG2 3.94Å; N150-T154 WeakPolarHBondContact O-CB 3.42Å; N150-T154 PolarHBondContact O-OG1 3.32Å; G151-T154 PolarHBondContact O-N 2.61Å; T154-F156 VanDerWaalsContact C-N 3.29Å; T154-F156 PolarHBondContact O-N 2.92Å; T154-K157 PolarHBondContact O-N 3.11Å; T154-K157 VanDerWaalsContact O-N 3.13Å; T154-E158 WeakPolarHBondContact O-CG 3.32Å; T154-E158 PolarHBondContact O-N 2.9Å
155L91.5Very high89.3Confident22 Ų2265.5 Ų65.512%0.11534%0.336CS..Hα-helixtrans-56-44.5176.4178.261.8000111.8M23 F146 G151 I152 E158 I159M23-L155 HydrophobicContact CE-CB 4.21Å; M23-L155 HydrophobicContact CE-CD2 3.82Å; M23-L155 HydrophobicContact CE-CG 3.79Å; F146-L155 HydrophobicContact CB-CD1 3.27Å; F146-L155 HydrophobicContact CG-CD1 4.11Å; G151-L155 WeakPolarHBondContact O-CB 3.43Å; G151-L155 PolarHBondContact O-N 3.45Å; I152-L155 HydrophobicContact CD1-CD2 4.39Å; L155-E158 PolarHBondContact O-N 2.74Å; L155-I159 HydrophobicContact CD1-CD1 3.94Å; L155-I159 HydrophobicContact CD1-CG1 4.3Å; L155-I159 HydrophobicContact CG-CD1 3.91Å; L155-I159 VanDerWaalsContact O-CG1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.45Å; L155-I159 PolarHBondContact O-N 3.1Å
156F94.1Very high89.6Confident27 Ų2762.9 Ų62.912%0.11833%0.328CS..Hα-helixtrans-60.9-45.5177.5176.6-115.4000112M23 K26 Y30 I152 E153 T154 E158 I159 C160M23-F156 HydrophobicContact CE-CB 3.9Å; M23-F156 HydrophobicContact SD-CB 3.95Å; M23-F156 HydrophobicContact SD-CD2 3.61Å; M23-F156 HydrophobicContact SD-CG 4.27Å; K26-F156 VanDerWaalsContact C-CE2 3.5Å; K26-F156 HydrophobicContact CB-CD2 3.9Å; K26-F156 HydrophobicContact CB-CE2 3.54Å; K26-F156 HydrophobicContact CB-CZ 4.09Å; K26-F156 WeakPolarHBondContact O-CE2 3.26Å; Y30-F156 HydrophobicContact CG-CZ 4.45Å; I152-F156 VanDerWaalsContact O-CB 3.28Å; I152-F156 WeakPolarHBondContact O-CB 3.42Å; I152-F156 PolarHBondContact O-N 2.89Å; E153-F156 PolarHBondContact O-N 2.85Å; T154-F156 VanDerWaalsContact C-N 3.29Å; T154-F156 PolarHBondContact O-N 2.92Å; F156-E158 PolarHBondContact O-N 3.22Å; F156-I159 PolarHBondContact O-N 2.93Å; F156-C160 VanDerWaalsContact CE2-SG 3.55Å; F156-C160 WeakPolarHBondContact O-CB 3.31Å; F156-C160 PolarHBondContact O-N 3.26Å; F156-C160 PolarHBondContact O-SG 2.7Å
157K94.4Very high89.8Confident97 Ų9759.4 Ų59.442%0.42231%0.313SS..Hα-helixtrans-62.1-43.2177.5-72.2173.4179.9174.70112.1E153 T154 C160 Q161E153-K157 WeakPolarHBondContact O-CG 3.15Å; E153-K157 PolarHBondContact O-N 3.45Å; T154-K157 PolarHBondContact O-N 3.11Å; T154-K157 VanDerWaalsContact O-N 3.13Å; K157-C160 PolarHBondContact O-N 2.95Å; K157-Q161 WeakPolarHBondContact O-CB 3.38Å; K157-Q161 PolarHBondContact O-N 3.18Å
158E93.7Very high90.1Very high65 Ų6559 Ų5930%0.30431%0.306SS..Hα-helixtrans-61.7-43.3176.7-70.4173.7178.200111.9F146 T154 L155 F156 Q161 C162F146-E158 HydrophobicContact CD1-CB 3.89Å; F146-E158 HydrophobicContact CE1-CB 4.06Å; T154-E158 WeakPolarHBondContact O-CG 3.32Å; T154-E158 PolarHBondContact O-N 2.9Å; L155-E158 PolarHBondContact O-N 2.74Å; F156-E158 PolarHBondContact O-N 3.22Å; E158-Q161 PolarHBondContact O-N 3.04Å; E158-C162 WeakPolarHBondContact O-CB 3.41Å; E158-C162 PolarHBondContact O-N 3.35Å
159I92.7Very high90.4Very high19 Ų1960 Ų6010%0.09731%0.305CS..Hα-helixtrans-64.2-48.4176.4-68.5167.4000110.4M23 L27 F146 L155 F156 Q161 C162 V163M23-I159 HydrophobicContact CE-CD1 4.23Å; M23-I159 HydrophobicContact CG-CD1 3.77Å; M23-I159 HydrophobicContact SD-CD1 3.94Å; L27-I159 HydrophobicContact CD1-CG2 4.11Å; L27-I159 HydrophobicContact CD2-CG2 3.93Å; F146-I159 HydrophobicContact CD1-CG1 4.03Å; F146-I159 HydrophobicContact CD2-CG1 3.9Å; F146-I159 HydrophobicContact CE1-CG1 4.06Å; F146-I159 HydrophobicContact CE2-CG1 3.93Å; F146-I159 HydrophobicContact CG-CG1 3.95Å; F146-I159 HydrophobicContact CZ-CG1 4.02Å; L155-I159 HydrophobicContact CD1-CD1 3.94Å; L155-I159 HydrophobicContact CD1-CG1 4.3Å; L155-I159 HydrophobicContact CG-CD1 3.91Å; L155-I159 VanDerWaalsContact O-CG1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.45Å; L155-I159 PolarHBondContact O-N 3.1Å; F156-I159 PolarHBondContact O-N 2.93Å; I159-Q161 VanDerWaalsContact C-N 3.33Å; I159-Q161 PolarHBondContact O-N 3.01Å; I159-C162 PolarHBondContact O-N 3.47Å; I159-V163 HydrophobicContact CG2-CG2 4.28Å; I159-V163 WeakPolarHBondContact O-CB 3.49Å; I159-V163 VanDerWaalsContact O-CG2 3.3Å; I159-V163 WeakPolarHBondContact O-CG2 3.24Å; I159-V163 PolarHBondContact O-N 3.14Å
160C94.5Very high90.4Very high1 Ų156.8 Ų56.81%0.00730%0.296CS..Hα-helixtrans-56.9-47.2177-730000111.6Y30 F156 K157 V163 N164 F180Y30-C160 HydrophobicContact CD1-CB 4.11Å; Y30-C160 WeakPolarHBondContact CD1-SG 3.19Å; Y30-C160 HydrophobicContact CE1-CB 3.81Å; F156-C160 VanDerWaalsContact CE2-SG 3.55Å; F156-C160 WeakPolarHBondContact O-CB 3.31Å; F156-C160 PolarHBondContact O-N 3.26Å; F156-C160 PolarHBondContact O-SG 2.7Å; K157-C160 PolarHBondContact O-N 2.95Å; C160-V163 PolarHBondContact O-N 3.24Å; C160-N164 WeakPolarHBondContact O-CB 3.42Å; C160-N164 PolarHBondContact O-N 3.26Å; C160-N164 PolarHBondContact O-ND2 3.03Å; C160-F180 HydrophobicContact CB-CD1 4.34Å; C160-F180 HydrophobicContact CB-CE1 4.31Å
161Q94Very high90.1Very high92 Ų9252.6 Ų52.643%0.4327%0.274SS..Hα-helixtrans-59.3-50.3177.9179.1175.6-9.700111.2K157 E158 I159 V163 N164 E165 F180K157-Q161 WeakPolarHBondContact O-CB 3.38Å; K157-Q161 PolarHBondContact O-N 3.18Å; E158-Q161 PolarHBondContact O-N 3.04Å; I159-Q161 VanDerWaalsContact C-N 3.33Å; I159-Q161 PolarHBondContact O-N 3.01Å; Q161-V163 PolarHBondContact O-N 3.26Å; Q161-N164 PolarHBondContact O-N 2.91Å; Q161-E165 HydrophobicContact CG-CG 4.39Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.21Å; Q161-E165 PolarHBondContact NE2-OE1 2.7Å; Q161-E165 WeakPolarHBondContact O-CB 3.34Å; Q161-E165 VanDerWaalsContact O-CG 3.31Å; Q161-E165 WeakPolarHBondContact O-CG 3.35Å; Q161-E165 PolarHBondContact O-N 2.94Å; Q161-F180 HydrophobicContact CB-CE1 3.91Å; Q161-F180 HydrophobicContact CB-CZ 3.75Å; Q161-F180 HydrophobicContact CG-CZ 4.03Å
162C92.1Very high89.1Confident16 Ų1656.1 Ų56.111%0.10828%0.281CS..Hα-helixtrans-59.6-46.1178.9-179.90000112Y144 F146 E158 I159 E165 K166Y144-C162 VanDerWaalsContact CD1-SG 3.53Å; Y144-C162 VanDerWaalsContact CG-SG 3.5Å; F146-C162 HydrophobicContact CE1-CB 4.03Å; F146-C162 HydrophobicContact CZ-CB 3.65Å; E158-C162 WeakPolarHBondContact O-CB 3.41Å; E158-C162 PolarHBondContact O-N 3.35Å; I159-C162 PolarHBondContact O-N 3.47Å; C162-E165 PolarHBondContact O-N 3.39Å; C162-K166 VanDerWaalsContact O-CG 3.24Å; C162-K166 WeakPolarHBondContact O-CG 3.29Å; C162-K166 PolarHBondContact O-N 2.73Å
163V91.6Very high87.3Confident17 Ų1763.2 Ų63.210%0.10330%0.302CS..Hα-helixtrans-62.3-46.5179.6170.70000110.5I10 L27 L31 I159 C160 Q161 K166 I167I10-V163 HydrophobicContact CD1-CG1 3.7Å; I10-V163 HydrophobicContact CD1-CG2 3.94Å; L27-V163 HydrophobicContact CD2-CG2 4.48Å; L31-V163 HydrophobicContact CD1-CG1 4.41Å; L31-V163 HydrophobicContact CD2-CG1 3.82Å; I159-V163 HydrophobicContact CG2-CG2 4.28Å; I159-V163 WeakPolarHBondContact O-CB 3.49Å; I159-V163 VanDerWaalsContact O-CG2 3.3Å; I159-V163 WeakPolarHBondContact O-CG2 3.24Å; I159-V163 PolarHBondContact O-N 3.14Å; C160-V163 PolarHBondContact O-N 3.24Å; Q161-V163 PolarHBondContact O-N 3.26Å; V163-K166 PolarHBondContact O-N 2.76Å; V163-I167 HydrophobicContact CG1-CD1 3.62Å; V163-I167 HydrophobicContact CG1-CG1 4.32Å; V163-I167 WeakPolarHBondContact O-CB 3.31Å; V163-I167 VanDerWaalsContact O-CG1 3.31Å; V163-I167 WeakPolarHBondContact O-CG1 3.29Å; V163-I167 PolarHBondContact O-N 2.88Å
164N92.2Very high85Confident14 Ų1463.5 Ų63.58%0.07530%0.304CS..Hα-helixtrans-61-46.6177.5-71.5-20.9000112Y30 C160 Q161 K166 I167 Y168Y30-N164 PolarHBondContact OH-ND2 3.46Å; C160-N164 WeakPolarHBondContact O-CB 3.42Å; C160-N164 PolarHBondContact O-N 3.26Å; C160-N164 PolarHBondContact O-ND2 3.03Å; Q161-N164 PolarHBondContact O-N 2.91Å; N164-K166 VanDerWaalsContact C-N 3.29Å; N164-K166 PolarHBondContact O-N 2.87Å; N164-I167 PolarHBondContact O-N 2.73Å; N164-Y168 WeakPolarHBondContact O-CB 3.35Å; N164-Y168 PolarHBondContact O-N 2.95Å
165E91.3Very high82.8Confident88 Ų8868.1 Ų68.141%0.41132%0.318SS..Hα-helixtrans-59.6-40.2177.5-75.1173.4-170.500111.5Q161 C162 Y168 L169Q161-E165 HydrophobicContact CG-CG 4.39Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.21Å; Q161-E165 PolarHBondContact NE2-OE1 2.7Å; Q161-E165 WeakPolarHBondContact O-CB 3.34Å; Q161-E165 VanDerWaalsContact O-CG 3.31Å; Q161-E165 WeakPolarHBondContact O-CG 3.35Å; Q161-E165 PolarHBondContact O-N 2.94Å; C162-E165 PolarHBondContact O-N 3.39Å; E165-Y168 PolarHBondContact O-N 3.29Å; E165-L169 WeakPolarHBondContact O-CB 3.3Å; E165-L169 VanDerWaalsContact O-CG 3.22Å; E165-L169 WeakPolarHBondContact O-CG 3.23Å; E165-L169 PolarHBondContact O-N 3.33Å
166K88.5Confident80.4Confident83 Ų8374.7 Ų74.736%0.36135%0.348SS..Hα-helixtrans-73-42.3179.9-65.7-65.3145.3172.80112.8Y144 C162 V163 N164 Y168 A170Y144-K166 HydrophobicContact CE2-CD 4.25Å; Y144-K166 HydrophobicContact CE2-CG 4.22Å; Y144-K166 VanDerWaalsContact CZ-CE 3.41Å; Y144-K166 WeakPolarHBondContact OH-CD 3.19Å; Y144-K166 WeakPolarHBondContact OH-CE 3.2Å; Y144-K166 PolarHBondContact OH-NZ 2.97Å; C162-K166 VanDerWaalsContact O-CG 3.24Å; C162-K166 WeakPolarHBondContact O-CG 3.29Å; C162-K166 PolarHBondContact O-N 2.73Å; V163-K166 PolarHBondContact O-N 2.76Å; N164-K166 VanDerWaalsContact C-N 3.29Å; N164-K166 PolarHBondContact O-N 2.87Å; K166-Y168 VanDerWaalsContact C-N 3.29Å; K166-A170 VanDerWaalsContact O-CB 3.25Å; K166-A170 WeakPolarHBondContact O-CB 3.36Å; K166-A170 PolarHBondContact O-N 2.89Å
167I87.7Confident78.3Confident6 Ų677.5 Ų77.53%0.03136%0.361CS..Hα-helixtrans-62.3-44.2173.4-66.7172.1000108.9Y8 Y36 I94 I96 V163 N164 A170 N171Y8-I167 HydrophobicContact CD2-CG1 4.32Å; Y8-I167 HydrophobicContact CE2-CG2 4.18Å; Y8-I167 HydrophobicContact CG-CG1 4.33Å; Y36-I167 HydrophobicContact CD2-CD1 4.49Å; Y36-I167 HydrophobicContact CE2-CD1 3.84Å; Y36-I167 WeakPolarHBondContact OH-CG2 3.18Å; I94-I167 HydrophobicContact CD1-CG2 4.2Å; I96-I167 HydrophobicContact CD1-CD1 3.56Å; I96-I167 HydrophobicContact CG1-CD1 4.44Å; V163-I167 HydrophobicContact CG1-CD1 3.62Å; V163-I167 HydrophobicContact CG1-CG1 4.32Å; V163-I167 WeakPolarHBondContact O-CB 3.31Å; V163-I167 VanDerWaalsContact O-CG1 3.31Å; V163-I167 WeakPolarHBondContact O-CG1 3.29Å; V163-I167 PolarHBondContact O-N 2.88Å; N164-I167 PolarHBondContact O-N 2.73Å; I167-A170 PolarHBondContact O-N 3.48Å; I167-N171 WeakPolarHBondContact CG2-ND2 3.4Å; I167-N171 WeakPolarHBondContact O-CB 3.47Å; I167-N171 PolarHBondContact O-N 2.85Å; I167-N171 PolarHBondContact O-ND2 3.26Å
168Y85.8Confident75.8Confident70 Ų7080.1 Ų80.128%0.27538%0.379SS..Hα-helixtrans-58.1-56.2176.7179.5-105.5000111.8N164 E165 K166 A170 N171 E172 K175N164-Y168 WeakPolarHBondContact O-CB 3.35Å; N164-Y168 PolarHBondContact O-N 2.95Å; E165-Y168 PolarHBondContact O-N 3.29Å; K166-Y168 VanDerWaalsContact C-N 3.29Å; Y168-A170 VanDerWaalsContact C-N 3.25Å; Y168-A170 PolarHBondContact O-N 2.88Å; Y168-N171 CarbonylContact O-C 3.54Å; Y168-N171 VanDerWaalsContact O-C 3.23Å; Y168-N171 WeakPolarHBondContact O-CA 3.35Å; Y168-N171 PolarHBondContact O-N 3.37Å; Y168-E172 HydrophobicContact CD1-CG 3.73Å; Y168-E172 HydrophobicContact CD2-CG 4.23Å; Y168-E172 HydrophobicContact CE1-CG 3.44Å; Y168-E172 VanDerWaalsContact CE1-CG 3.44Å; Y168-E172 WeakPolarHBondContact CE1-OE1 3.4Å; Y168-E172 HydrophobicContact CE2-CG 3.95Å; Y168-E172 HydrophobicContact CG-CG 4.14Å; Y168-E172 WeakPolarHBondContact O-CG 3.3Å; Y168-E172 PolarHBondContact O-N 2.84Å; Y168-E172 PolarHBondContact OH-OE1 3.44Å; Y168-K175 VanDerWaalsContact CD2-O 3.25Å; Y168-K175 WeakPolarHBondContact CD2-O 3.49Å; Y168-K175 VanDerWaalsContact CE2-O 3.22Å; Y168-K175 WeakPolarHBondContact CE2-O 3.43Å
169L85.5Confident73.3Confident103 Ų10385.5 Ų85.554%0.53940%0.404SS..Hα-helixtrans-58-37178.5-71.9169.7000112.6E165 N171E165-L169 WeakPolarHBondContact O-CB 3.3Å; E165-L169 VanDerWaalsContact O-CG 3.22Å; E165-L169 WeakPolarHBondContact O-CG 3.23Å; E165-L169 PolarHBondContact O-N 3.33Å; L169-N171 VanDerWaalsContact C-N 3.28Å
170A82.2Confident71.1Confident63 Ų6389.2 Ų89.252%0.52142%0.42SS..Hα-helixtrans-72.8-22.7174.700000113Y8 K166 I167 Y168Y8-A170 HydrophobicContact CE1-CB 3.56Å; Y8-A170 WeakPolarHBondContact OH-CB 3.34Å; K166-A170 VanDerWaalsContact O-CB 3.25Å; K166-A170 WeakPolarHBondContact O-CB 3.36Å; K166-A170 PolarHBondContact O-N 2.89Å; I167-A170 PolarHBondContact O-N 3.48Å; Y168-A170 VanDerWaalsContact C-N 3.25Å; Y168-A170 PolarHBondContact O-N 2.88Å
171N80Confident68.9Low10 Ų1092.1 Ų92.15%0.05344%0.439CS..Hα-helixtrans-104.11179.4-77.9-74.3000114.2R6 Y8 I167 Y168 L169 R173 E174R6-N171 WeakPolarHBondContact CD-OD1 3.42Å; R6-N171 PolarHBondContact NE-OD1 2.76Å; R6-N171 PolarHBondContact NH1-OD1 2.88Å; Y8-N171 PolarHBondContact OH-ND2 3.23Å; I167-N171 WeakPolarHBondContact CG2-ND2 3.4Å; I167-N171 WeakPolarHBondContact O-CB 3.47Å; I167-N171 PolarHBondContact O-N 2.85Å; I167-N171 PolarHBondContact O-ND2 3.26Å; Y168-N171 CarbonylContact O-C 3.54Å; Y168-N171 VanDerWaalsContact O-C 3.23Å; Y168-N171 WeakPolarHBondContact O-CA 3.35Å; Y168-N171 PolarHBondContact O-N 3.37Å; L169-N171 VanDerWaalsContact C-N 3.28Å; N171-R173 CarbonylContact O-C 3.52Å; N171-R173 PolarHBondContact O-N 2.8Å; N171-E174 PolarHBondContact O-N 2.9Å
172E67.1Low66.4Low109 Ų109100 Ų10051%0.50947%0.472SS..THydrogen-bonded Turntrans-67.558.1179.5-86.4-157.5126.800113Y168Y168-E172 HydrophobicContact CD1-CG 3.73Å; Y168-E172 HydrophobicContact CD2-CG 4.23Å; Y168-E172 HydrophobicContact CE1-CG 3.44Å; Y168-E172 VanDerWaalsContact CE1-CG 3.44Å; Y168-E172 WeakPolarHBondContact CE1-OE1 3.4Å; Y168-E172 HydrophobicContact CE2-CG 3.95Å; Y168-E172 HydrophobicContact CG-CG 4.14Å; Y168-E172 WeakPolarHBondContact O-CG 3.3Å; Y168-E172 PolarHBondContact O-N 2.84Å; Y168-E172 PolarHBondContact OH-OE1 3.44Å
173R50.8Low65.1Low231 Ų231104.2 Ų104.287%0.87249%0.49SS*.THydrogen-bonded Turn-107.8-4.4124.2-65.2-171.7-172.6-172.82.6114.9N171N171-R173 CarbonylContact O-C 3.52Å; N171-R173 PolarHBondContact O-N 2.8Å
174E43Very low63.7Low141 Ų141108.8 Ų108.866%0.65951%0.51SS*.SBendtrans-169.6134.9177.5-110.9159.8-145.700116.1N171N171-E174 PolarHBondContact O-N 2.9Å
175K45.7Very low62.2Low156 Ų156114.1 Ų114.168%0.67854%0.535SS*.  trans99.3121161.2-58.5-175.6-176.4178.30120Y168Y168-K175 VanDerWaalsContact CD2-O 3.25Å; Y168-K175 WeakPolarHBondContact CD2-O 3.49Å; Y168-K175 VanDerWaalsContact CE2-O 3.22Å; Y168-K175 WeakPolarHBondContact CE2-O 3.43Å
176H41.1Very low60.4Low160 Ų160115.6 Ų115.674%0.74154%0.542SS*.  trans-82.2143173.6-73.8-88.8000112.2
177F50.9Low58.7Low87 Ų87117.6 Ų117.638%0.38255%0.553SS.*  trans-114.3116.7171.1-78.5-83.5000110.4I34 Y36I34-F177 HydrophobicContact CB-CE1 4.29Å; I34-F177 HydrophobicContact CD1-CD1 4.44Å; I34-F177 HydrophobicContact CD1-CE1 3.97Å; I34-F177 HydrophobicContact CG1-CE1 4.49Å; Y36-F177 HydrophobicContact CE1-CZ 4.23Å; Y36-F177 AromaticContact CZ-CZ 3.74Å; Y36-F177 VanDerWaalsContact OH-CE2 3.29Å; Y36-F177 WeakPolarHBondContact OH-CE2 3.16Å; Y36-F177 WeakPolarHBondContact OH-CZ 3.29Å
178D41.1Very low56.8Low151 Ų151125.1 Ų125.181%0.80759%0.588SS**  trans-103.7127.7171.3-68.5-40.6000109.9
179E42.5Very low54.7Low178 Ų178129 Ų12983%0.83261%0.61SS**  trans74131.4166.5-56.9-170.6177.900120.3
180F46.1Very low52.3Low97 Ų97131 Ų13143%0.42562%0.616SS.*  trans-85.9151.2173.8-64.8-82.7000111.4C160 Q161 K182C160-F180 HydrophobicContact CB-CD1 4.34Å; C160-F180 HydrophobicContact CB-CE1 4.31Å; Q161-F180 HydrophobicContact CB-CE1 3.91Å; Q161-F180 HydrophobicContact CB-CZ 3.75Å; Q161-F180 HydrophobicContact CG-CZ 4.03Å; F180-K182 PolarHBondContact O-N 2.68Å
181P48.3Very low49.8Very low63 Ų63136.7 Ų136.741%0.40962%0.624SS.*  trans-61.4137.3173.7-13.826.8000110.9Y30Y30-P181 HydrophobicContact CD2-CG 3.38Å; Y30-P181 VanDerWaalsContact CE2-CD 3.46Å; Y30-P181 HydrophobicContact CE2-CG 3.53Å
182K41.3Very low47.1Very low257 Ų257148.2 Ų148.2100%1.11768%0.676SS**  trans-71.50176.5-72.7-178.3-179.7173.20112.1F180F180-K182 PolarHBondContact O-N 2.68Å

Retrieved 182 of 182 residues in 272.4 ms (Link to these results)

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