G4VLQ2_SCHMA Loading...

Mitochondrial pyruvate carrier

Mediates the uptake of pyruvate into mitochondria.

AlphaFold DB , UniProt , Accession G4VLQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 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
1M64.3Low87.4Confident173 Ų17386.9 Ų86.985%0.85251%0.508SS*.  0127.30-149.1-177.1-76.300107.7Y5M1-Y5 HydrophobicContact CG-CD1 3.98Å; M1-Y5 HydrophobicContact CG-CE1 4.28Å; M1-Y5 HydrophobicContact SD-CD1 3.98Å; M1-Y5 HydrophobicContact SD-CE1 3.79Å
2S86.4Confident87.6Confident69 Ų6985.1 Ų85.148%0.48350%0.499SS..  trans-59.3138.2-171.1169.10000112.9V4 Y5 R6S2-V4 VanDerWaalsContact C-N 3.26Å; S2-V4 PolarHBondContact O-N 2.79Å; S2-V4 PolarHBondContact OG-N 3.11Å; S2-Y5 PolarHBondContact O-N 3.35Å; S2-R6 PolarHBondContact O-N 3.49Å; S2-R6 VanDerWaalsContact O-N 3.16Å
3A90.9Very high87.6Confident81 Ų8183.3 Ų83.367%0.66949%0.486SS*.Hα-helixtrans-59.8-38.4174.500000111.6R6 A7A3-R6 PolarHBondContact O-N 2.75Å; A3-A7 WeakPolarHBondContact O-CB 3.38Å; A3-A7 PolarHBondContact O-N 3.05Å
4V90.7Very high87.6Confident98 Ų9890.8 Ų90.859%0.59451%0.51SS*.Hα-helixtrans-61.6-46.3176.9-179.40000110.8S2 R6 A7 L8S2-V4 VanDerWaalsContact C-N 3.26Å; S2-V4 PolarHBondContact O-N 2.79Å; S2-V4 PolarHBondContact OG-N 3.11Å; V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 3.46Å; V4-A7 PolarHBondContact O-N 3.17Å; V4-L8 HydrophobicContact CG1-CD1 3.96Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 WeakPolarHBondContact O-CG 3.45Å; V4-L8 PolarHBondContact O-N 3.04Å
5Y88.7Confident87.8Confident83 Ų8396.7 Ų96.733%0.32553%0.528SS..Hα-helixtrans-58.7-46.3177171.1-97.2000111.5M1 S2 A7 L8 I9 K31M1-Y5 HydrophobicContact CG-CD1 3.98Å; M1-Y5 HydrophobicContact CG-CE1 4.28Å; M1-Y5 HydrophobicContact SD-CD1 3.98Å; M1-Y5 HydrophobicContact SD-CE1 3.79Å; S2-Y5 PolarHBondContact O-N 3.35Å; Y5-A7 PolarHBondContact O-N 3.39Å; Y5-L8 PolarHBondContact O-N 3.2Å; Y5-I9 HydrophobicContact CD1-CG1 4.41Å; Y5-I9 HydrophobicContact CD2-CG1 3.92Å; Y5-I9 HydrophobicContact CE1-CG1 4.04Å; Y5-I9 HydrophobicContact CE2-CD1 3.97Å; Y5-I9 HydrophobicContact CE2-CG1 3.5Å; Y5-I9 HydrophobicContact CG-CG1 4.36Å; Y5-I9 WeakPolarHBondContact O-CB 3.32Å; Y5-I9 VanDerWaalsContact O-CG1 3.31Å; Y5-I9 WeakPolarHBondContact O-CG1 3.49Å; Y5-I9 PolarHBondContact O-N 3.42Å; Y5-K31 PolarHBondContact OH-O 3.01Å; Y5-K31 VanDerWaalsContact OH-O 3.06Å
6R88.8Confident87.8Confident157 Ų15791.9 Ų91.959%0.59250%0.503SS*.Hα-helixtrans-62.6-42.5178.7-69.5177.2175.6171.3-1.9112.2S2 A3 V4 G10S2-R6 PolarHBondContact O-N 3.49Å; S2-R6 VanDerWaalsContact O-N 3.16Å; A3-R6 PolarHBondContact O-N 2.75Å; V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 3.46Å; R6-G10 PolarHBondContact O-N 3.11Å
7A91.8Very high88Confident68 Ų6890.9 Ų90.956%0.56250%0.501SS*.Hα-helixtrans-63.2-46.4178.100000111.8A3 V4 Y5 G10 A11A3-A7 WeakPolarHBondContact O-CB 3.38Å; A3-A7 PolarHBondContact O-N 3.05Å; V4-A7 PolarHBondContact O-N 3.17Å; Y5-A7 PolarHBondContact O-N 3.39Å; A7-G10 PolarHBondContact O-N 2.92Å; A7-A11 PolarHBondContact O-N 3Å
8L90.6Very high88Confident110 Ų11090.1 Ų90.158%0.57651%0.509SS*.Hα-helixtrans-63.6-50.1178.4-70.9174.5000111.8V4 Y5 G10 A11 V12V4-L8 HydrophobicContact CG1-CD1 3.96Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 WeakPolarHBondContact O-CG 3.45Å; V4-L8 PolarHBondContact O-N 3.04Å; Y5-L8 PolarHBondContact O-N 3.2Å; L8-G10 VanDerWaalsContact C-N 3.33Å; L8-G10 PolarHBondContact O-N 3.11Å; L8-A11 PolarHBondContact O-N 3.33Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 2.85Å
9I89.4Confident88Confident29 Ų2997.8 Ų97.815%0.14953%0.529CS..Hα-helixtrans-63.8-40.5178.9-65.2-58.3000110.9Y5 A11 V12 D13 W24 K31Y5-I9 HydrophobicContact CD1-CG1 4.41Å; Y5-I9 HydrophobicContact CD2-CG1 3.92Å; Y5-I9 HydrophobicContact CE1-CG1 4.04Å; Y5-I9 HydrophobicContact CE2-CD1 3.97Å; Y5-I9 HydrophobicContact CE2-CG1 3.5Å; Y5-I9 HydrophobicContact CG-CG1 4.36Å; Y5-I9 WeakPolarHBondContact O-CB 3.32Å; Y5-I9 VanDerWaalsContact O-CG1 3.31Å; Y5-I9 WeakPolarHBondContact O-CG1 3.49Å; Y5-I9 PolarHBondContact O-N 3.42Å; I9-A11 VanDerWaalsContact C-N 3.26Å; I9-A11 PolarHBondContact O-N 3.37Å; I9-V12 PolarHBondContact O-N 3.27Å; I9-D13 WeakPolarHBondContact CG2-OD1 3.32Å; I9-D13 VanDerWaalsContact O-CB 3.29Å; I9-D13 WeakPolarHBondContact O-CB 3.48Å; I9-D13 VanDerWaalsContact O-CG 3.24Å; I9-D13 PolarHBondContact O-N 3.08Å; I9-W24 HydrophobicContact CD1-CH2 4.23Å; I9-W24 HydrophobicContact CD1-CZ2 4.14Å; I9-K31 HydrophobicContact CD1-CG 4.41Å; I9-K31 HydrophobicContact CG2-CD 4.17Å
10G88.6Confident88Confident31 Ų3197.5 Ų97.532%0.3253%0.526SS..Hα-helixtrans-61.1-33.4175.500000113.5R6 A7 L8R6-G10 PolarHBondContact O-N 3.11Å; A7-G10 PolarHBondContact O-N 2.92Å; L8-G10 VanDerWaalsContact C-N 3.33Å; L8-G10 PolarHBondContact O-N 3.11Å
11A90.7Very high88Confident57 Ų5797.9 Ų97.947%0.47152%0.523SS..Hα-helixtrans-73.3-40.6174.100000112.4A7 L8 I9A7-A11 PolarHBondContact O-N 3Å; L8-A11 PolarHBondContact O-N 3.33Å; I9-A11 VanDerWaalsContact C-N 3.26Å; I9-A11 PolarHBondContact O-N 3.37Å
12V89.7Confident89.2Confident65 Ų6594.2 Ų94.239%0.39451%0.512SS..Hα-helixtrans-71.1-41.8178.7178.50000111.3L8 I9 K14 K15 V16 W24L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 2.85Å; I9-V12 PolarHBondContact O-N 3.27Å; V12-K14 PolarHBondContact O-N 2.81Å; V12-K14 VanDerWaalsContact O-N 3.13Å; V12-K15 WeakPolarHBondContact O-CA 3.41Å; V12-K15 PolarHBondContact O-N 3.35Å; V12-V16 HydrophobicContact CG1-CG2 4.09Å; V12-V16 WeakPolarHBondContact O-CG2 3.32Å; V12-V16 PolarHBondContact O-N 3.21Å; V12-V16 VanDerWaalsContact O-N 3.17Å; V12-W24 HydrophobicContact CB-CH2 4.2Å; V12-W24 HydrophobicContact CB-CZ2 4.03Å; V12-W24 HydrophobicContact CG1-CH2 3.42Å; V12-W24 VanDerWaalsContact CG1-CH2 3.42Å; V12-W24 HydrophobicContact CG1-CZ2 3.5Å; V12-W24 HydrophobicContact CG1-CZ3 4.18Å
13D87.9Confident89.2Confident62 Ų6295.6 Ų95.633%0.33251%0.514SS..Hα-helixtrans-51.9-39.1-179.9-83.615.2000112.2I9 K15 V16 W24 K31I9-D13 WeakPolarHBondContact CG2-OD1 3.32Å; I9-D13 VanDerWaalsContact O-CB 3.29Å; I9-D13 WeakPolarHBondContact O-CB 3.48Å; I9-D13 VanDerWaalsContact O-CG 3.24Å; I9-D13 PolarHBondContact O-N 3.08Å; D13-K15 VanDerWaalsContact C-N 3.26Å; D13-K15 PolarHBondContact O-N 2.94Å; D13-V16 PolarHBondContact O-N 3.27Å; D13-W24 PolarHBondContact OD1-NE1 2.89Å; D13-K31 WeakPolarHBondContact OD1-CE 3.32Å; D13-K31 IonicContact OD1-NZ 2.95Å; D13-K31 PolarHBondContact OD1-NZ 3.04Å; D13-K31 IonicContact OD2-NZ 2.94Å; D13-K31 PolarHBondContact OD2-NZ 3.22Å
14K88Confident89.1Confident188 Ų18893.6 Ų93.682%0.81749%0.489SS*.THydrogen-bonded Turntrans-66.7-25.8177.9-67.4177.4-176.2-177.90113.4V12V12-K14 PolarHBondContact O-N 2.81Å; V12-K14 VanDerWaalsContact O-N 3.13Å
15K90.2Very high89Confident180 Ų18093.7 Ų93.778%0.78349%0.486SS*.THydrogen-bonded Turntrans-96.8-9.9-178-64.1-173.5177.9-174.70113.2V12 D13 P17V12-K15 WeakPolarHBondContact O-CA 3.41Å; V12-K15 PolarHBondContact O-N 3.35Å; D13-K15 VanDerWaalsContact C-N 3.26Å; D13-K15 PolarHBondContact O-N 2.94Å; K15-P17 VanDerWaalsContact O-CD 3.29Å; K15-P17 WeakPolarHBondContact O-CD 3.45Å
16V88.9Confident88.9Confident20 Ų2093.3 Ų93.312%0.12149%0.487CS..SBendtrans-71.1119.5-178.3172.60000110.4V12 D13 L20 K21 W24V12-V16 HydrophobicContact CG1-CG2 4.09Å; V12-V16 WeakPolarHBondContact O-CG2 3.32Å; V12-V16 PolarHBondContact O-N 3.21Å; V12-V16 VanDerWaalsContact O-N 3.17Å; D13-V16 PolarHBondContact O-N 3.27Å; V16-L20 HydrophobicContact CG1-CB 4.05Å; V16-K21 HydrophobicContact CG1-CG 4.08Å; V16-W24 HydrophobicContact CB-CG 4.48Å; V16-W24 HydrophobicContact CG1-CB 3.98Å; V16-W24 HydrophobicContact CG1-CG 3.99Å; V16-W24 HydrophobicContact CG2-CD2 3.76Å; V16-W24 HydrophobicContact CG2-CE3 4.29Å; V16-W24 HydrophobicContact CG2-CG 3.91Å; V16-W24 HydrophobicContact CG2-CZ2 4.38Å
17P90.3Very high88.9Confident74 Ų7489.7 Ų89.748%0.48148%0.484SS..  trans-59.8148.5176.4-22.132.7000111.9K15 R19 L20 K21K15-P17 VanDerWaalsContact O-CD 3.29Å; K15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-R19 PolarHBondContact O-N 3.35Å; P17-R19 VanDerWaalsContact O-N 3.08Å; P17-L20 HydrophobicContact CG-CD1 4.35Å; P17-L20 PolarHBondContact O-N 2.89Å; P17-K21 PolarHBondContact O-N 2.94Å
18A87.5Confident88.5Confident77 Ų7786.9 Ų86.964%0.63646%0.461SS*.G310 helixtrans-53.3-36.2-179.100000113.4L20 K21A18-L20 VanDerWaalsContact C-N 3.3Å; A18-L20 PolarHBondContact O-N 2.97Å; A18-K21 WeakPolarHBondContact O-CB 3.34Å; A18-K21 PolarHBondContact O-N 3.36Å
19R88.3Confident88.4Confident236 Ų23681.7 Ų81.789%0.89143%0.434SS*.G310 helixtrans-64.9-29.3178.1-64.3-176.8179.4177.9-0.3113.9P17P17-R19 PolarHBondContact O-N 3.35Å; P17-R19 VanDerWaalsContact O-N 3.08Å
20L88.8Confident88.4Confident92 Ų9281.1 Ų81.148%0.48243%0.432SS..G310 helixtrans-94.5-10.4-179.2-63.9-178.8000112.9V16 P17 A18 P22 L23 W24V16-L20 HydrophobicContact CG1-CB 4.05Å; P17-L20 HydrophobicContact CG-CD1 4.35Å; P17-L20 PolarHBondContact O-N 2.89Å; A18-L20 VanDerWaalsContact C-N 3.3Å; A18-L20 PolarHBondContact O-N 2.97Å; L20-P22 VanDerWaalsContact C-CD 3.43Å; L20-P22 VanDerWaalsContact C-N 3.33Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-L23 VanDerWaalsContact O-N 3.15Å; L20-W24 VanDerWaalsContact O-CB 3.29Å; L20-W24 WeakPolarHBondContact O-CB 3.37Å; L20-W24 PolarHBondContact O-N 3.22Å
21K88.1Confident88.5Confident106 Ų10681.9 Ų81.946%0.46143%0.427SS..Hα-helixtrans-53.2-40.2178.2-72.7-176.5179.7-179.60113.9V16 P17 A18 W24 N25V16-K21 HydrophobicContact CG1-CG 4.08Å; P17-K21 PolarHBondContact O-N 2.94Å; A18-K21 WeakPolarHBondContact O-CB 3.34Å; A18-K21 PolarHBondContact O-N 3.36Å; K21-W24 PolarHBondContact O-N 3.27Å; K21-N25 WeakPolarHBondContact O-CB 3.49Å; K21-N25 PolarHBondContact O-N 3.39Å; K21-N25 PolarHBondContact O-ND2 3.45Å
22P88.5Confident88.5Confident96 Ų9681 Ų8162%0.62342%0.416SS*.Hα-helixtrans-62.6-43.3177.3-24.135.1000112.9L20 H26L20-P22 VanDerWaalsContact C-CD 3.43Å; L20-P22 VanDerWaalsContact C-N 3.33Å; P22-H26 PolarHBondContact O-N 2.96Å; P22-H26 VanDerWaalsContact O-N 3.12Å
23L87.1Confident88.5Confident97 Ų9783.5 Ų83.551%0.50843%0.425SS..Hα-helixtrans-67.9-41.6176.4179.265.3000111.3L20 N25 H26 P30L20-L23 PolarHBondContact O-N 3.47Å; L20-L23 VanDerWaalsContact O-N 3.15Å; L23-N25 PolarHBondContact O-N 3.22Å; L23-H26 VanDerWaalsContact O-CB 3.29Å; L23-H26 WeakPolarHBondContact O-CB 3.39Å; L23-H26 PolarHBondContact O-N 3.09Å; L23-P30 VanDerWaalsContact O-CD 3.28Å; L23-P30 WeakPolarHBondContact O-CD 3.18Å
24W88.2Confident88.6Confident40 Ų4086.4 Ų86.415%0.15244%0.435CS..Hα-helixtrans-64.8-38.8-178-176.1-110.9000113.2I9 V12 D13 V16 L20 K21 P30 K31I9-W24 HydrophobicContact CD1-CH2 4.23Å; I9-W24 HydrophobicContact CD1-CZ2 4.14Å; V12-W24 HydrophobicContact CB-CH2 4.2Å; V12-W24 HydrophobicContact CB-CZ2 4.03Å; V12-W24 HydrophobicContact CG1-CH2 3.42Å; V12-W24 VanDerWaalsContact CG1-CH2 3.42Å; V12-W24 HydrophobicContact CG1-CZ2 3.5Å; V12-W24 HydrophobicContact CG1-CZ3 4.18Å; D13-W24 PolarHBondContact OD1-NE1 2.89Å; V16-W24 HydrophobicContact CB-CG 4.48Å; V16-W24 HydrophobicContact CG1-CB 3.98Å; V16-W24 HydrophobicContact CG1-CG 3.99Å; V16-W24 HydrophobicContact CG2-CD2 3.76Å; V16-W24 HydrophobicContact CG2-CE3 4.29Å; V16-W24 HydrophobicContact CG2-CG 3.91Å; V16-W24 HydrophobicContact CG2-CZ2 4.38Å; L20-W24 VanDerWaalsContact O-CB 3.29Å; L20-W24 WeakPolarHBondContact O-CB 3.37Å; L20-W24 PolarHBondContact O-N 3.22Å; K21-W24 PolarHBondContact O-N 3.27Å; W24-P30 HydrophobicContact CE3-CB 3.83Å; W24-P30 HydrophobicContact CE3-CG 4.07Å; W24-P30 HydrophobicContact CZ3-CB 3.69Å; W24-P30 HydrophobicContact CZ3-CG 4.38Å; W24-K31 VanDerWaalsContact CD1-CE 3.45Å; W24-K31 HydrophobicContact CZ2-CG 4.17Å
25N89.1Confident88.8Confident99 Ų9979.9 Ų79.953%0.52941%0.407SS..THydrogen-bonded Turntrans-93.64.6177.6-65.4-34.3000113.2K21 L23 K31K21-N25 WeakPolarHBondContact O-CB 3.49Å; K21-N25 PolarHBondContact O-N 3.39Å; K21-N25 PolarHBondContact O-ND2 3.45Å; L23-N25 PolarHBondContact O-N 3.22Å; N25-K31 PolarHBondContact OD1-NZ 2.92Å
26H87.5Confident89Confident75 Ų7576.9 Ų76.935%0.34739%0.391SS..SBendtrans-60.8140.5176.4-171.5-97.7000110P22 L23 A28 G29P22-H26 PolarHBondContact O-N 2.96Å; P22-H26 VanDerWaalsContact O-N 3.12Å; L23-H26 VanDerWaalsContact O-CB 3.29Å; L23-H26 WeakPolarHBondContact O-CB 3.39Å; L23-H26 PolarHBondContact O-N 3.09Å; H26-A28 PolarHBondContact ND1-N 3.32Å; H26-A28 PolarHBondContact O-N 2.9Å; H26-G29 WeakPolarHBondContact O-CA 3.35Å; H26-G29 PolarHBondContact O-N 3.41Å
27P87Confident89.2Confident81 Ų8178.4 Ų78.453%0.52641%0.405SS..THydrogen-bonded Turntrans-59.4-30.2179.520.6-34.6000114T32 P83P27-T32 VanDerWaalsContact O-CG2 3.27Å; P27-T32 WeakPolarHBondContact O-CG2 3.29Å; P27-T32 PolarHBondContact O-OG1 3.04Å; P27-P83 HydrophobicContact CB-CG 3.88Å; P27-P83 HydrophobicContact CG-CB 4Å; P27-P83 HydrophobicContact CG-CG 3.65Å
28A85.2Confident89.4Confident9 Ų975.2 Ų75.27%0.07439%0.385CS..THydrogen-bonded Turntrans-103.125.1168.800000112.9H26 F34 P83H26-A28 PolarHBondContact ND1-N 3.32Å; H26-A28 PolarHBondContact O-N 2.9Å; A28-F34 HydrophobicContact CB-CB 3.95Å; A28-P83 HydrophobicContact CB-CG 4.21Å
29G88.5Confident89.8Confident1 Ų173.8 Ų73.81%0.0137%0.368CS..SBendtrans-84-176.7-177.300000113.6H26 K31 T32 F35H26-G29 WeakPolarHBondContact O-CA 3.35Å; H26-G29 PolarHBondContact O-N 3.41Å; G29-K31 PolarHBondContact O-N 3.07Å; G29-T32 PolarHBondContact O-N 3.21Å; G29-T32 PolarHBondContact O-OG1 3.16Å; G29-F35 VanDerWaalsContact C-CB 3.45Å; G29-F35 WeakPolarHBondContact O-CB 3.34Å
30P89.4Confident90.2Very high18 Ų1869 Ų6912%0.11735%0.354CS..THydrogen-bonded Turntrans-59.5-12.4-173.9-25.735.1000116.3L23 W24 T32 F35 W36L23-P30 VanDerWaalsContact O-CD 3.28Å; L23-P30 WeakPolarHBondContact O-CD 3.18Å; W24-P30 HydrophobicContact CE3-CB 3.83Å; W24-P30 HydrophobicContact CE3-CG 4.07Å; W24-P30 HydrophobicContact CZ3-CB 3.69Å; W24-P30 HydrophobicContact CZ3-CG 4.38Å; P30-T32 VanDerWaalsContact C-N 3.25Å; P30-T32 PolarHBondContact O-N 3.38Å; P30-F35 HydrophobicContact CB-CD1 4.01Å; P30-F35 HydrophobicContact CB-CE1 4.18Å; P30-F35 HydrophobicContact CB-CG 4.34Å; P30-F35 HydrophobicContact CG-CD1 4.2Å; P30-F35 HydrophobicContact CG-CD2 4.23Å; P30-F35 HydrophobicContact CG-CE1 4.17Å; P30-F35 HydrophobicContact CG-CE2 4.2Å; P30-F35 HydrophobicContact CG-CG 4.23Å; P30-F35 HydrophobicContact CG-CZ 4.17Å; P30-W36 PolarHBondContact O-NE1 3.49Å
31K90Very high90.4Very high47 Ų4767.8 Ų67.820%0.20435%0.345CS..THydrogen-bonded Turntrans-75.9-11.1172.1-67.1-175.2-179.4-178.50113.2Y5 I9 D13 W24 N25 G29Y5-K31 PolarHBondContact OH-O 3.01Å; Y5-K31 VanDerWaalsContact OH-O 3.06Å; I9-K31 HydrophobicContact CD1-CG 4.41Å; I9-K31 HydrophobicContact CG2-CD 4.17Å; D13-K31 WeakPolarHBondContact OD1-CE 3.32Å; D13-K31 IonicContact OD1-NZ 2.95Å; D13-K31 PolarHBondContact OD1-NZ 3.04Å; D13-K31 IonicContact OD2-NZ 2.94Å; D13-K31 PolarHBondContact OD2-NZ 3.22Å; W24-K31 VanDerWaalsContact CD1-CE 3.45Å; W24-K31 HydrophobicContact CZ2-CG 4.17Å; N25-K31 PolarHBondContact OD1-NZ 2.92Å; G29-K31 PolarHBondContact O-N 3.07Å
32T90.2Very high90.8Very high39 Ų3965.9 Ų65.924%0.23934%0.335CS..SBendtrans-123157.4-17275.80000112.9P27 G29 P30 F34 F35P27-T32 VanDerWaalsContact O-CG2 3.27Å; P27-T32 WeakPolarHBondContact O-CG2 3.29Å; P27-T32 PolarHBondContact O-OG1 3.04Å; G29-T32 PolarHBondContact O-N 3.21Å; G29-T32 PolarHBondContact O-OG1 3.16Å; P30-T32 VanDerWaalsContact C-N 3.25Å; P30-T32 PolarHBondContact O-N 3.38Å; T32-F34 PolarHBondContact O-N 3.4Å; T32-F35 PolarHBondContact O-N 2.86Å; T32-F35 VanDerWaalsContact O-N 3.14Å
33I90.2Very high91.2Very high117 Ų11766.7 Ų66.760%0.633%0.333SS*.Hα-helixtrans-63.3-24.1176.8-168.258000112.1F35 W36 A37I33-F35 PolarHBondContact O-N 3.01Å; I33-W36 PolarHBondContact O-N 3.19Å; I33-A37 HydrophobicContact CD1-CB 4.11Å; I33-A37 HydrophobicContact CG1-CB 4.11Å; I33-A37 WeakPolarHBondContact O-CB 3.37Å; I33-A37 PolarHBondContact O-N 3.3Å
34F90.1Very high91.5Very high122 Ų12265.6 Ų65.654%0.53533%0.328SS..Hα-helixtrans-63.6-24.7176.6-60-67.5000112.7A28 T32 P38 N85A28-F34 HydrophobicContact CB-CB 3.95Å; T32-F34 PolarHBondContact O-N 3.4Å; F34-P38 WeakPolarHBondContact O-CD 3.24Å; F34-P38 VanDerWaalsContact O-CG 3.23Å; F34-P38 WeakPolarHBondContact O-CG 3.3Å; F34-N85 PolarHBondContact O-ND2 3.45Å
35F92.3Very high91.9Very high52 Ų5263.7 Ų63.723%0.22832%0.321CS..Hα-helixtrans-81.8-51.9170179.4-96.4000111.3G29 P30 T32 I33 P38 T39 N87G29-F35 VanDerWaalsContact C-CB 3.45Å; G29-F35 WeakPolarHBondContact O-CB 3.34Å; P30-F35 HydrophobicContact CB-CD1 4.01Å; P30-F35 HydrophobicContact CB-CE1 4.18Å; P30-F35 HydrophobicContact CB-CG 4.34Å; P30-F35 HydrophobicContact CG-CD1 4.2Å; P30-F35 HydrophobicContact CG-CD2 4.23Å; P30-F35 HydrophobicContact CG-CE1 4.17Å; P30-F35 HydrophobicContact CG-CE2 4.2Å; P30-F35 HydrophobicContact CG-CG 4.23Å; P30-F35 HydrophobicContact CG-CZ 4.17Å; T32-F35 PolarHBondContact O-N 2.86Å; T32-F35 VanDerWaalsContact O-N 3.14Å; I33-F35 PolarHBondContact O-N 3.01Å; F35-P38 WeakPolarHBondContact O-CD 3.44Å; F35-T39 PolarHBondContact O-N 3.33Å; F35-T39 PolarHBondContact O-OG1 3.43Å; F35-N87 PolarHBondContact O-ND2 3.49Å; F35-N87 VanDerWaalsContact O-ND2 3.14Å
36W93.1Very high92.2Very high116 Ų11663.9 Ų63.944%0.43932%0.32SS..Hα-helixtrans-72.9-38.6-169.8-70.3105.9000114.6P30 I33 T39 F40P30-W36 PolarHBondContact O-NE1 3.49Å; I33-W36 PolarHBondContact O-N 3.19Å; W36-T39 HydrophobicContact CE3-CG2 4.3Å; W36-T39 HydrophobicContact CZ3-CG2 4.45Å; W36-T39 WeakPolarHBondContact O-CA 3.34Å; W36-T39 WeakPolarHBondContact O-CB 3.31Å; W36-T39 PolarHBondContact O-N 2.99Å; W36-T39 VanDerWaalsContact O-N 3.1Å; W36-F40 HydrophobicContact CB-CE2 4.44Å; W36-F40 HydrophobicContact CE3-CE2 4.3Å; W36-F40 WeakPolarHBondContact O-CD2 3.42Å; W36-F40 PolarHBondContact O-N 2.9Å
37A94.7Very high92.5Very high52 Ų5262.6 Ų62.643%0.4332%0.323SS..Hα-helixtrans-61.4-47.7-179.500000112.2I33 T39 F40 K41I33-A37 HydrophobicContact CD1-CB 4.11Å; I33-A37 HydrophobicContact CG1-CB 4.11Å; I33-A37 WeakPolarHBondContact O-CB 3.37Å; I33-A37 PolarHBondContact O-N 3.3Å; A37-T39 VanDerWaalsContact C-N 3.32Å; A37-T39 PolarHBondContact O-N 2.87Å; A37-F40 PolarHBondContact O-N 2.83Å; A37-K41 PolarHBondContact O-N 2.9Å
38P94.5Very high92.7Very high8 Ų859.7 Ų59.75%0.05231%0.307CS..Hα-helixtrans-61.8-37.2170-23.634.3000113.4F34 F35 F40 K41 W42 N87 L88 V91F34-P38 WeakPolarHBondContact O-CD 3.24Å; F34-P38 VanDerWaalsContact O-CG 3.23Å; F34-P38 WeakPolarHBondContact O-CG 3.3Å; F35-P38 WeakPolarHBondContact O-CD 3.44Å; P38-F40 VanDerWaalsContact C-N 3.33Å; P38-F40 PolarHBondContact O-N 3.4Å; P38-K41 WeakPolarHBondContact O-CA 3.39Å; P38-K41 WeakPolarHBondContact O-CB 3.4Å; P38-K41 PolarHBondContact O-N 3.46Å; P38-W42 VanDerWaalsContact O-CD1 3.25Å; P38-W42 PolarHBondContact O-N 3Å; P38-N87 HydrophobicContact CB-CB 4.29Å; P38-L88 HydrophobicContact CB-CB 4.31Å; P38-L88 HydrophobicContact CB-CD1 4.32Å; P38-L88 HydrophobicContact CG-CB 3.89Å; P38-L88 HydrophobicContact CG-CD1 3.87Å; P38-L88 HydrophobicContact CG-CG 4.45Å; P38-V91 HydrophobicContact CB-CG1 4.16Å
39T95.1Very high93.1Very high47 Ų4763.4 Ų63.429%0.28833%0.326SS..Hα-helixtrans-57.1-44.9175.8-61.30000111.7F35 W36 A37 K41 W42 N87F35-T39 PolarHBondContact O-N 3.33Å; F35-T39 PolarHBondContact O-OG1 3.43Å; W36-T39 HydrophobicContact CE3-CG2 4.3Å; W36-T39 HydrophobicContact CZ3-CG2 4.45Å; W36-T39 WeakPolarHBondContact O-CA 3.34Å; W36-T39 WeakPolarHBondContact O-CB 3.31Å; W36-T39 PolarHBondContact O-N 2.99Å; W36-T39 VanDerWaalsContact O-N 3.1Å; A37-T39 VanDerWaalsContact C-N 3.32Å; A37-T39 PolarHBondContact O-N 2.87Å; T39-K41 VanDerWaalsContact C-N 3.34Å; T39-W42 WeakPolarHBondContact O-CB 3.45Å; T39-W42 PolarHBondContact O-N 3.45Å; T39-N87 PolarHBondContact OG1-ND2 3.2Å
40F95.9Very high93.4Very high135 Ų13566.9 Ų66.959%0.59235%0.354SS*.Hα-helixtrans-70.1-31.2174.4-75.9-72.2000112.9W36 A37 P38 W42 L43W36-F40 HydrophobicContact CB-CE2 4.44Å; W36-F40 HydrophobicContact CE3-CE2 4.3Å; W36-F40 WeakPolarHBondContact O-CD2 3.42Å; W36-F40 PolarHBondContact O-N 2.9Å; A37-F40 PolarHBondContact O-N 2.83Å; P38-F40 VanDerWaalsContact C-N 3.33Å; P38-F40 PolarHBondContact O-N 3.4Å; F40-W42 PolarHBondContact O-N 3.3Å; F40-W42 VanDerWaalsContact O-N 3.16Å; F40-L43 HydrophobicContact CD1-CD1 4.41Å; F40-L43 VanDerWaalsContact O-CB 3.31Å; F40-L43 WeakPolarHBondContact O-CB 3.42Å; F40-L43 VanDerWaalsContact O-CG 3.28Å; F40-L43 WeakPolarHBondContact O-CG 3.28Å; F40-L43 PolarHBondContact O-N 3.47Å
41K94.7Very high93.4Very high66 Ų6669.1 Ų69.129%0.28737%0.365SS..Hα-helixtrans-61.7-21.6175.3-166.7175.5-175.6-179.30112.5A37 P38 T39 L43 L44 V91 N92A37-K41 PolarHBondContact O-N 2.9Å; P38-K41 WeakPolarHBondContact O-CA 3.39Å; P38-K41 WeakPolarHBondContact O-CB 3.4Å; P38-K41 PolarHBondContact O-N 3.46Å; T39-K41 VanDerWaalsContact C-N 3.34Å; K41-L43 PolarHBondContact O-N 3.46Å; K41-L44 VanDerWaalsContact O-CB 3.27Å; K41-L44 WeakPolarHBondContact O-CB 3.26Å; K41-L44 PolarHBondContact O-N 3.01Å; K41-V91 HydrophobicContact CB-CG1 4.35Å; K41-V91 HydrophobicContact CB-CG2 3.88Å; K41-V91 HydrophobicContact CD-CG1 4.01Å; K41-V91 HydrophobicContact CD-CG2 4.32Å; K41-V91 HydrophobicContact CG-CG1 4.36Å; K41-V91 HydrophobicContact CG-CG2 3.84Å; K41-N92 PolarHBondContact NZ-OD1 2.86Å
42W96.4Very high93.5Very high66 Ų6669.1 Ų69.125%0.2537%0.367CS..Hα-helixtrans-60-22172.1-80.793.7000113.9P38 T39 F40 L44 V45 I46 N87 S90 V91 F94P38-W42 VanDerWaalsContact O-CD1 3.25Å; P38-W42 PolarHBondContact O-N 3Å; T39-W42 WeakPolarHBondContact O-CB 3.45Å; T39-W42 PolarHBondContact O-N 3.45Å; F40-W42 PolarHBondContact O-N 3.3Å; F40-W42 VanDerWaalsContact O-N 3.16Å; W42-L44 PolarHBondContact O-N 2.87Å; W42-V45 HydrophobicContact CE3-CB 3.85Å; W42-V45 HydrophobicContact CE3-CG1 3.92Å; W42-V45 HydrophobicContact CE3-CG2 4Å; W42-V45 HydrophobicContact CZ3-CB 4.33Å; W42-V45 HydrophobicContact CZ3-CG1 3.92Å; W42-V45 HydrophobicContact CZ3-CG2 4.39Å; W42-V45 WeakPolarHBondContact O-CB 3.31Å; W42-V45 PolarHBondContact O-N 2.9Å; W42-I46 WeakPolarHBondContact O-CG1 3.42Å; W42-I46 PolarHBondContact O-N 3.36Å; W42-N87 PolarHBondContact NE1-OD1 3.04Å; W42-S90 VanDerWaalsContact CZ2-OG 3.25Å; W42-S90 WeakPolarHBondContact CZ2-OG 3.34Å; W42-V91 HydrophobicContact CD2-CB 4.36Å; W42-V91 HydrophobicContact CD2-CG2 4.17Å; W42-V91 HydrophobicContact CG-CB 4.43Å; W42-V91 HydrophobicContact CG-CG2 4.02Å; W42-F94 HydrophobicContact CH2-CB 4.36Å; W42-F94 AromaticContact CH2-CD2 3.34Å; W42-F94 HydrophobicContact CH2-CD2 3.34Å; W42-F94 AromaticContact CH2-CE2 3.68Å; W42-F94 HydrophobicContact CH2-CE2 3.68Å; W42-F94 AromaticContact CH2-CG 3.84Å; W42-F94 HydrophobicContact CH2-CG 3.84Å; W42-F94 HydrophobicContact CH2-CZ 4.4Å; W42-F94 HydrophobicContact CZ2-CD2 4.27Å; W42-F94 HydrophobicContact CZ3-CB 4.16Å; W42-F94 HydrophobicContact CZ3-CD1 4.36Å; W42-F94 AromaticContact CZ3-CD2 3.88Å; W42-F94 HydrophobicContact CZ3-CD2 3.88Å; W42-F94 HydrophobicContact CZ3-CE2 4.39Å; W42-F94 AromaticContact CZ3-CG 3.87Å; W42-F94 HydrophobicContact CZ3-CG 3.87Å
43L96.4Very high93.4Very high113 Ų11374.3 Ų74.359%0.59239%0.393SS*.Hα-helixtrans-57.9-33.9172.1-64.3175000111.8F40 K41 I46 A47F40-L43 HydrophobicContact CD1-CD1 4.41Å; F40-L43 VanDerWaalsContact O-CB 3.31Å; F40-L43 WeakPolarHBondContact O-CB 3.42Å; F40-L43 VanDerWaalsContact O-CG 3.28Å; F40-L43 WeakPolarHBondContact O-CG 3.28Å; F40-L43 PolarHBondContact O-N 3.47Å; K41-L43 PolarHBondContact O-N 3.46Å; L43-I46 PolarHBondContact O-N 3.42Å; L43-A47 WeakPolarHBondContact O-CB 3.48Å; L43-A47 PolarHBondContact O-N 3.37Å
44L93.5Very high93.4Very high74 Ų7474.3 Ų74.339%0.38739%0.386SS..Hα-helixtrans-66.4-40.4174.8-176.365.3000111.8K41 W42 G48 L67 V95K41-L44 VanDerWaalsContact O-CB 3.27Å; K41-L44 WeakPolarHBondContact O-CB 3.26Å; K41-L44 PolarHBondContact O-N 3.01Å; W42-L44 PolarHBondContact O-N 2.87Å; L44-G48 PolarHBondContact O-N 2.94Å; L44-L67 HydrophobicContact CD2-CD2 4.11Å; L44-V95 HydrophobicContact CD2-CG1 4.28Å; L44-V95 HydrophobicContact CD2-CG2 3.87Å; L44-V95 HydrophobicContact CG-CG2 4.24Å
45V96Very high93.5Very high1 Ų171.8 Ų71.81%0.00638%0.382CS..Hα-helixtrans-64.2-47.3175.7176.30000110W42 A47 G48 L49 V91 F94 V95W42-V45 HydrophobicContact CE3-CB 3.85Å; W42-V45 HydrophobicContact CE3-CG1 3.92Å; W42-V45 HydrophobicContact CE3-CG2 4Å; W42-V45 HydrophobicContact CZ3-CB 4.33Å; W42-V45 HydrophobicContact CZ3-CG1 3.92Å; W42-V45 HydrophobicContact CZ3-CG2 4.39Å; W42-V45 WeakPolarHBondContact O-CB 3.31Å; W42-V45 PolarHBondContact O-N 2.9Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 2.87Å; V45-G48 PolarHBondContact O-N 3.16Å; V45-G48 VanDerWaalsContact O-N 3.16Å; V45-L49 HydrophobicContact CG1-CD1 4.04Å; V45-L49 HydrophobicContact CG1-CG 4.32Å; V45-L49 WeakPolarHBondContact O-CG 3.2Å; V45-L49 PolarHBondContact O-N 2.92Å; V45-V91 HydrophobicContact CG2-CG2 3.83Å; V45-F94 HydrophobicContact CB-CB 4.43Å; V45-F94 HydrophobicContact CG1-CB 3.72Å; V45-F94 HydrophobicContact CG1-CD1 4.4Å; V45-F94 HydrophobicContact CG1-CG 4.36Å; V45-F94 HydrophobicContact CG2-CB 3.77Å; V45-V95 HydrophobicContact CG2-CG2 3.61Å
46I96.3Very high93.5Very high102 Ų10270.5 Ų70.552%0.52338%0.378SS..Hα-helixtrans-60-44.5179.3-66.3167.2000110.6W42 L43 L49 A50W42-I46 WeakPolarHBondContact O-CG1 3.42Å; W42-I46 PolarHBondContact O-N 3.36Å; L43-I46 PolarHBondContact O-N 3.42Å; I46-L49 PolarHBondContact O-N 3.28Å; I46-A50 PolarHBondContact O-N 3.45Å
47A93.9Very high93.4Very high49 Ų4971.3 Ų71.341%0.40539%0.387SS..Hα-helixtrans-60.7-45.2174.800000111.8L43 V45 L49 A50 D51L43-A47 WeakPolarHBondContact O-CB 3.48Å; L43-A47 PolarHBondContact O-N 3.37Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 2.87Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 3.43Å; A47-A50 PolarHBondContact O-N 3.44Å; A47-D51 PolarHBondContact O-N 2.94Å
48G91.4Very high93.3Very high19 Ų1972.9 Ų72.920%0.19639%0.388CS..Hα-helixtrans-61.7-35.5176.600000113.6L44 V45L44-G48 PolarHBondContact O-N 2.94Å; V45-G48 PolarHBondContact O-N 3.16Å; V45-G48 VanDerWaalsContact O-N 3.16Å
49L93.5Very high93.2Very high87 Ų8773.6 Ų73.646%0.45539%0.392SS..Hα-helixtrans-71.4-40.1174.5-69.2174.8000112.1V45 I46 A47 D51 I52 T98V45-L49 HydrophobicContact CG1-CD1 4.04Å; V45-L49 HydrophobicContact CG1-CG 4.32Å; V45-L49 WeakPolarHBondContact O-CG 3.2Å; V45-L49 PolarHBondContact O-N 2.92Å; I46-L49 PolarHBondContact O-N 3.28Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 3.43Å; L49-D51 PolarHBondContact O-N 2.91Å; L49-I52 HydrophobicContact CD2-CD1 3.78Å; L49-I52 WeakPolarHBondContact O-CB 3.31Å; L49-I52 WeakPolarHBondContact O-CG1 3.24Å; L49-I52 PolarHBondContact O-N 3.44Å; L49-T98 HydrophobicContact CD2-CG2 3.67Å; L49-T98 HydrophobicContact CG-CG2 4.01Å
50A93.5Very high93.1Very high74 Ų7473.8 Ų73.861%0.61240%0.395SS*.Hα-helixtrans-62.8-33.2175.600000112I46 A47 I52I46-A50 PolarHBondContact O-N 3.45Å; A47-A50 PolarHBondContact O-N 3.44Å; A50-I52 VanDerWaalsContact C-N 3.25Å; A50-I52 PolarHBondContact O-N 2.92Å
51D90.8Very high93Very high66 Ų6671.4 Ų71.435%0.35339%0.388SS..G310 helixtrans-78.11.9178-83.1-13.8000114.4A47 L49 N53 R54 Q102A47-D51 PolarHBondContact O-N 2.94Å; L49-D51 PolarHBondContact O-N 2.91Å; D51-N53 PolarHBondContact O-N 2.95Å; D51-R54 WeakPolarHBondContact O-CB 3.32Å; D51-R54 PolarHBondContact O-N 2.93Å; D51-R54 VanDerWaalsContact O-N 3.07Å; D51-R54 IonicContact OD2-NH1 4Å; D51-Q102 PolarHBondContact O-NE2 2.92Å
52I90.8Very high93Very high46 Ų4677.5 Ų77.524%0.23641%0.411CS..G310 helixtrans-59-35.2178.1-77.7173.2000112.1L49 A50 R54 Y101 R105L49-I52 HydrophobicContact CD2-CD1 3.78Å; L49-I52 WeakPolarHBondContact O-CB 3.31Å; L49-I52 WeakPolarHBondContact O-CG1 3.24Å; L49-I52 PolarHBondContact O-N 3.44Å; A50-I52 VanDerWaalsContact C-N 3.25Å; A50-I52 PolarHBondContact O-N 2.92Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-Y101 HydrophobicContact CB-CE1 4.38Å; I52-Y101 HydrophobicContact CD1-CE1 4.4Å; I52-Y101 HydrophobicContact CG1-CD1 4.14Å; I52-Y101 HydrophobicContact CG1-CE1 3.97Å; I52-Y101 HydrophobicContact CG2-CE1 3.82Å; I52-R105 PolarHBondContact O-NH1 3.26Å; I52-R105 PolarHBondContact O-NH2 3.44Å
53N89Confident93Very high149 Ų14980.2 Ų80.280%0.79743%0.426SS*.G310 helixtrans-87.7-2.1-179.7-65.8-35.4000113.2D51D51-N53 PolarHBondContact O-N 2.95Å
54R90.4Very high92.9Very high117 Ų11775.2 Ų75.244%0.44240%0.401SS..SBendtrans-61.7134.9177.6-169.3171.8177.7172.4-3109.4D51 I52 V56 N58 V59 R105D51-R54 WeakPolarHBondContact O-CB 3.32Å; D51-R54 PolarHBondContact O-N 2.93Å; D51-R54 VanDerWaalsContact O-N 3.07Å; D51-R54 IonicContact OD2-NH1 4Å; I52-R54 VanDerWaalsContact C-N 3.32Å; R54-V56 PolarHBondContact O-N 2.91Å; R54-N58 HydrophobicContact CG-CB 4.29Å; R54-N58 PolarHBondContact NE-O 3.12Å; R54-N58 PolarHBondContact NH2-O 2.9Å; R54-V59 HydrophobicContact CB-CG2 4.4Å; R54-V59 HydrophobicContact CG-CG2 4.45Å; R54-R105 PolarHBondContact O-NH1 3.3Å; R54-R105 VanDerWaalsContact O-NH1 3.08Å; R54-R105 PolarHBondContact O-NH2 2.87Å
55P92.2Very high93Very high69 Ų6974.7 Ų74.745%0.44840%0.401SS..  trans-53.7133.2176-24.332.1000110.6E57 N58P55-E57 VanDerWaalsContact C-N 3.26Å; P55-E57 HydrophobicContact CB-CG 4.04Å; P55-E57 PolarHBondContact O-N 3.25Å; P55-N58 WeakPolarHBondContact O-CB 3.5Å; P55-N58 PolarHBondContact O-N 3.29Å
56V92Very high93.1Very high24 Ų2477.4 Ų77.415%0.14542%0.423CS..G310 helixtrans-63.1-31.4-170.166.10000113.1R54 N58 V59 R105 I106 Y109R54-V56 PolarHBondContact O-N 2.91Å; V56-N58 PolarHBondContact O-N 2.88Å; V56-V59 WeakPolarHBondContact O-CB 3.36Å; V56-V59 PolarHBondContact O-N 3.14Å; V56-R105 HydrophobicContact CG2-CB 4.17Å; V56-I106 HydrophobicContact CG2-CB 4.34Å; V56-I106 HydrophobicContact CG2-CG1 3.81Å; V56-Y109 HydrophobicContact CB-CG 4.43Å; V56-Y109 HydrophobicContact CG1-CD1 3.86Å; V56-Y109 HydrophobicContact CG1-CD2 3.27Å; V56-Y109 HydrophobicContact CG1-CE1 4.31Å; V56-Y109 HydrophobicContact CG1-CE2 3.8Å; V56-Y109 HydrophobicContact CG1-CG 3.29Å; V56-Y109 HydrophobicContact CG2-CG 4.32Å
57E90.3Very high93.1Very high133 Ų13374.7 Ų74.762%0.62141%0.41SS*.G310 helixtrans-59.2-24.8172.262.7-167.3-174.300113.6P55P55-E57 VanDerWaalsContact C-N 3.26Å; P55-E57 HydrophobicContact CB-CG 4.04Å; P55-E57 PolarHBondContact O-N 3.25Å
58N92.1Very high93.2Very high86 Ų8672.6 Ų72.646%0.4639%0.392SS..G310 helixtrans-95.11.7177-66.2-55.2000112.8R54 P55 V56R54-N58 HydrophobicContact CG-CB 4.29Å; R54-N58 PolarHBondContact NE-O 3.12Å; R54-N58 PolarHBondContact NH2-O 2.9Å; P55-N58 WeakPolarHBondContact O-CB 3.5Å; P55-N58 PolarHBondContact O-N 3.29Å; V56-N58 PolarHBondContact O-N 2.88Å
59V92.6Very high93.5Very high22 Ų2273.8 Ų73.813%0.13340%0.4CS..SBendtrans-96.5121.5179.4-175.20000109.1R54 V56 L61 Q102 I106R54-V59 HydrophobicContact CB-CG2 4.4Å; R54-V59 HydrophobicContact CG-CG2 4.45Å; V56-V59 WeakPolarHBondContact O-CB 3.36Å; V56-V59 PolarHBondContact O-N 3.14Å; V59-L61 PolarHBondContact O-N 3.3Å; V59-Q102 HydrophobicContact CG1-CB 4.11Å; V59-Q102 HydrophobicContact CG1-CG 4.41Å; V59-I106 HydrophobicContact CB-CD1 4.37Å; V59-I106 HydrophobicContact CG1-CD1 3.96Å; V59-I106 HydrophobicContact CG1-CG1 4.46Å
60S93.4Very high93.7Very high51 Ų5172 Ų7236%0.35739%0.393SS..  trans-73.8122.7178.9170.50000111.5Q63 S64S60-Q63 PolarHBondContact O-N 3.48Å; S60-Q63 PolarHBondContact OG-N 2.64Å; S60-S64 WeakPolarHBondContact O-CB 3.46Å; S60-S64 PolarHBondContact O-N 3.37Å; S60-S64 PolarHBondContact O-OG 3.35Å
61L93.4Very high93.8Very high86 Ų8668.5 Ų68.545%0.4536%0.364SS..Hα-helixtrans-58.3-49.3172.8176.463.9000111.2V59 Q63 S64 T65 L103 I106V59-L61 PolarHBondContact O-N 3.3Å; L61-Q63 PolarHBondContact O-N 2.96Å; L61-S64 PolarHBondContact O-N 3.29Å; L61-T65 WeakPolarHBondContact O-CB 3.19Å; L61-T65 PolarHBondContact O-N 2.97Å; L61-T65 PolarHBondContact O-OG1 3.34Å; L61-L103 HydrophobicContact CD1-CD2 3.57Å; L61-I106 HydrophobicContact CB-CD1 4.22Å; L61-I106 HydrophobicContact CD1-CD1 4.29Å; L61-I106 HydrophobicContact CD1-CG2 4.1Å
62Y96.2Very high94.1Very high194 Ų19470 Ų7076%0.76137%0.372SS*.Hα-helixtrans-64-41.2-178.3-62.5-68.3000112.4T65 A66Y62-T65 PolarHBondContact O-N 3.4Å; Y62-A66 VanDerWaalsContact O-CB 3.31Å; Y62-A66 WeakPolarHBondContact O-CB 3.39Å; Y62-A66 PolarHBondContact O-N 3.22Å
63Q94.4Very high94.4Very high123 Ų12372.4 Ų72.458%0.57538%0.384SS*.Hα-helixtrans-65.3-44.8177.5-174.4176.9-2200111.2S60 L61 T65 A66 L67S60-Q63 PolarHBondContact O-N 3.48Å; S60-Q63 PolarHBondContact OG-N 2.64Å; L61-Q63 PolarHBondContact O-N 2.96Å; Q63-T65 VanDerWaalsContact C-N 3.34Å; Q63-T65 PolarHBondContact O-N 3.46Å; Q63-A66 PolarHBondContact O-N 3.03Å; Q63-L67 HydrophobicContact CG-CD1 4.24Å; Q63-L67 WeakPolarHBondContact O-CB 3.42Å; Q63-L67 VanDerWaalsContact O-CG 3.31Å; Q63-L67 WeakPolarHBondContact O-CG 3.35Å; Q63-L67 PolarHBondContact O-N 3.03Å
64S94.6Very high94.7Very high7 Ų770.9 Ų70.95%0.04937%0.367CS..Hα-helixtrans-63.9-40.2178.6-57.50000111.6S60 L61 L67 A68S60-S64 WeakPolarHBondContact O-CB 3.46Å; S60-S64 PolarHBondContact O-N 3.37Å; S60-S64 PolarHBondContact O-OG 3.35Å; L61-S64 PolarHBondContact O-N 3.29Å; S64-L67 PolarHBondContact O-N 3.47Å; S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 2.91Å
65T97Very high95Very high64 Ų6466.1 Ų66.139%0.39335%0.352SS..Hα-helixtrans-63.7-46.1173.6-61.60000111.9L61 Y62 Q63 L67 A68 A69 L103L61-T65 WeakPolarHBondContact O-CB 3.19Å; L61-T65 PolarHBondContact O-N 2.97Å; L61-T65 PolarHBondContact O-OG1 3.34Å; Y62-T65 PolarHBondContact O-N 3.4Å; Q63-T65 VanDerWaalsContact C-N 3.34Å; Q63-T65 PolarHBondContact O-N 3.46Å; T65-L67 VanDerWaalsContact C-N 3.34Å; T65-L67 PolarHBondContact O-N 3.16Å; T65-A68 PolarHBondContact O-N 3.42Å; T65-A69 VanDerWaalsContact O-CB 3.31Å; T65-A69 WeakPolarHBondContact O-CB 3.29Å; T65-A69 PolarHBondContact O-N 3.34Å; T65-L103 VanDerWaalsContact OG1-CD2 3.29Å; T65-L103 WeakPolarHBondContact OG1-CD2 3.18Å
66A97.2Very high95.1Very high58 Ų5871 Ų7148%0.47936%0.361SS..Hα-helixtrans-61.2-43.2178.100000111.6Y62 Q63 T70Y62-A66 VanDerWaalsContact O-CB 3.31Å; Y62-A66 WeakPolarHBondContact O-CB 3.39Å; Y62-A66 PolarHBondContact O-N 3.22Å; Q63-A66 PolarHBondContact O-N 3.03Å; A66-T70 VanDerWaalsContact O-CB 3.24Å; A66-T70 WeakPolarHBondContact O-CB 3.3Å; A66-T70 WeakPolarHBondContact O-CG2 3.27Å; A66-T70 PolarHBondContact O-N 3.17Å
67L95.5Very high95.1Very high45 Ų4575 Ų7524%0.23637%0.374CS..Hα-helixtrans-65-42.7176-70.5174.9000112.2L44 Q63 S64 T65 T70 G71 V95L44-L67 HydrophobicContact CD2-CD2 4.11Å; Q63-L67 HydrophobicContact CG-CD1 4.24Å; Q63-L67 WeakPolarHBondContact O-CB 3.42Å; Q63-L67 VanDerWaalsContact O-CG 3.31Å; Q63-L67 WeakPolarHBondContact O-CG 3.35Å; Q63-L67 PolarHBondContact O-N 3.03Å; S64-L67 PolarHBondContact O-N 3.47Å; T65-L67 VanDerWaalsContact C-N 3.34Å; T65-L67 PolarHBondContact O-N 3.16Å; L67-T70 WeakPolarHBondContact O-CG2 3.47Å; L67-G71 PolarHBondContact O-N 3.25Å; L67-V95 HydrophobicContact CB-CG1 4.22Å; L67-V95 HydrophobicContact CD2-CG1 4.14Å
68A97Very high95.2Very high4 Ų468.7 Ų68.73%0.03335%0.345CS..Hα-helixtrans-61.4-52.2175.900000111.5S64 T65 G71 L72 L100 L103S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 2.91Å; T65-A68 PolarHBondContact O-N 3.42Å; A68-G71 PolarHBondContact O-N 3.16Å; A68-L72 WeakPolarHBondContact O-CG 3.27Å; A68-L72 PolarHBondContact O-N 3.31Å; A68-L100 HydrophobicContact CB-CD2 4.06Å; A68-L100 HydrophobicContact CB-CG 4.05Å; A68-L103 HydrophobicContact CB-CD1 3.94Å
69A97.7Very high95.3Very high44 Ų4468.1 Ų68.136%0.36434%0.341SS..Hα-helixtrans-63.1-47.6-178.100000111.9T65 G71 L72 I73T65-A69 VanDerWaalsContact O-CB 3.31Å; T65-A69 WeakPolarHBondContact O-CB 3.29Å; T65-A69 PolarHBondContact O-N 3.34Å; A69-G71 VanDerWaalsContact C-N 3.35Å; A69-G71 PolarHBondContact O-N 3.16Å; A69-L72 PolarHBondContact O-N 3.43Å; A69-I73 VanDerWaalsContact O-CG1 3.3Å; A69-I73 WeakPolarHBondContact O-CG1 3.37Å; A69-I73 PolarHBondContact O-N 3.22Å
70T96.7Very high95.3Very high51 Ų5171.1 Ų71.131%0.31336%0.359SS..Hα-helixtrans-63.3-43.1178.5-159.80000110.6A66 L67 L72 I73 W74A66-T70 VanDerWaalsContact O-CB 3.24Å; A66-T70 WeakPolarHBondContact O-CB 3.3Å; A66-T70 WeakPolarHBondContact O-CG2 3.27Å; A66-T70 PolarHBondContact O-N 3.17Å; L67-T70 WeakPolarHBondContact O-CG2 3.47Å; T70-L72 VanDerWaalsContact C-N 3.33Å; T70-L72 PolarHBondContact O-N 3.26Å; T70-I73 PolarHBondContact O-N 3.01Å; T70-W74 WeakPolarHBondContact O-CB 3.41Å; T70-W74 PolarHBondContact O-N 3.06Å; T70-W74 PolarHBondContact OG1-NE1 3.32Å
71G96.5Very high95.1Very high0 Ų072 Ų720%036%0.359CS..Hα-helixtrans-58.2-43.4176.300000112.4L67 A68 A69 S75 N92L67-G71 PolarHBondContact O-N 3.25Å; A68-G71 PolarHBondContact O-N 3.16Å; A69-G71 VanDerWaalsContact C-N 3.35Å; A69-G71 PolarHBondContact O-N 3.16Å; G71-S75 VanDerWaalsContact O-CB 3.29Å; G71-S75 WeakPolarHBondContact O-CB 3.36Å; G71-S75 PolarHBondContact O-N 3.42Å; G71-S75 PolarHBondContact O-OG 3Å; G71-N92 CarbonylContact C-O 3.46Å; G71-N92 WeakPolarHBondContact CA-O 3.35Å
72L97Very high94.9Very high98 Ų9875.5 Ų75.551%0.51338%0.377SS..Hα-helixtrans-66.9-47.2178.2-70172.5000112.4A68 A69 T70 S75 R76 A96A68-L72 WeakPolarHBondContact O-CG 3.27Å; A68-L72 PolarHBondContact O-N 3.31Å; A69-L72 PolarHBondContact O-N 3.43Å; T70-L72 VanDerWaalsContact C-N 3.33Å; T70-L72 PolarHBondContact O-N 3.26Å; L72-S75 WeakPolarHBondContact O-CB 3.25Å; L72-S75 PolarHBondContact O-N 3.41Å; L72-R76 PolarHBondContact O-N 2.73Å; L72-A96 HydrophobicContact CD2-CB 3.98Å; L72-A96 HydrophobicContact CG-CB 3.96Å
73I97Very high94.5Very high95 Ų9568.7 Ų68.749%0.48736%0.356SS..Hα-helixtrans-59.5-52.7179.2-69.2167.4000109.7A69 T70 S75 R76 Y77A69-I73 VanDerWaalsContact O-CG1 3.3Å; A69-I73 WeakPolarHBondContact O-CG1 3.37Å; A69-I73 PolarHBondContact O-N 3.22Å; T70-I73 PolarHBondContact O-N 3.01Å; I73-S75 VanDerWaalsContact C-N 3.28Å; I73-S75 PolarHBondContact O-N 2.76Å; I73-R76 WeakPolarHBondContact O-CB 3.25Å; I73-R76 PolarHBondContact O-N 3.24Å; I73-R76 VanDerWaalsContact O-N 3.16Å; I73-Y77 HydrophobicContact CG2-CD2 3.81Å; I73-Y77 HydrophobicContact CG2-CE2 3.76Å; I73-Y77 WeakPolarHBondContact O-CD2 3.37Å; I73-Y77 PolarHBondContact O-N 3.01Å
74W95.7Very high94.3Very high118 Ų11868 Ų6845%0.44735%0.352SS..Hα-helixtrans-69.2-25.4-177.1-72.1110.5000113.2T70 R76 Y77 S78 N92T70-W74 WeakPolarHBondContact O-CB 3.41Å; T70-W74 PolarHBondContact O-N 3.06Å; T70-W74 PolarHBondContact OG1-NE1 3.32Å; W74-R76 VanDerWaalsContact C-N 3.32Å; W74-R76 PolarHBondContact O-N 2.66Å; W74-Y77 HydrophobicContact CE3-CG 4.42Å; W74-Y77 PolarHBondContact O-N 2.98Å; W74-S78 WeakPolarHBondContact O-CB 3.49Å; W74-S78 PolarHBondContact O-N 2.94Å; W74-S78 PolarHBondContact O-OG 3.12Å; W74-N92 HydrophobicContact CB-CB 4Å; W74-N92 VanDerWaalsContact CB-OD1 3.25Å; W74-N92 WeakPolarHBondContact CB-OD1 3.15Å
75S95.8Very high94.2Very high17 Ų1768.2 Ų68.212%0.11935%0.352CS..Hα-helixtrans-59.2-44.1171.4-66.20000111.2G71 L72 I73 S78 L89 A93G71-S75 VanDerWaalsContact O-CB 3.29Å; G71-S75 WeakPolarHBondContact O-CB 3.36Å; G71-S75 PolarHBondContact O-N 3.42Å; G71-S75 PolarHBondContact O-OG 3Å; L72-S75 WeakPolarHBondContact O-CB 3.25Å; L72-S75 PolarHBondContact O-N 3.41Å; I73-S75 VanDerWaalsContact C-N 3.28Å; I73-S75 PolarHBondContact O-N 2.76Å; S75-S78 WeakPolarHBondContact O-CB 3.46Å; S75-S78 PolarHBondContact O-N 3.3Å; S75-L89 VanDerWaalsContact O-CD1 3.27Å; S75-L89 WeakPolarHBondContact O-CD1 3.34Å; S75-A93 WeakPolarHBondContact OG-CA 3.23Å; S75-A93 PolarHBondContact OG-N 3.26Å; S75-A93 VanDerWaalsContact OG-N 3.14Å
76R94.1Very high93.9Very high170 Ų17072.5 Ų72.564%0.64236%0.362SS*.Hα-helixtrans-63.4-48.8174-179-178.7178.8-981.1111.7L72 I73 W74 S78 L79 V80L72-R76 PolarHBondContact O-N 2.73Å; I73-R76 WeakPolarHBondContact O-CB 3.25Å; I73-R76 PolarHBondContact O-N 3.24Å; I73-R76 VanDerWaalsContact O-N 3.16Å; W74-R76 VanDerWaalsContact C-N 3.32Å; W74-R76 PolarHBondContact O-N 2.66Å; R76-S78 PolarHBondContact O-N 3.21Å; R76-L79 PolarHBondContact O-N 3.4Å; R76-L79 VanDerWaalsContact O-N 3.07Å; R76-V80 PolarHBondContact O-N 3.07Å
77Y93.1Very high93.7Very high110 Ų11071.4 Ų71.443%0.43135%0.348SS..Hα-helixtrans-59.6-31.6-179.2-84.2-83.2000112.8I73 W74 L79 V80 I81I73-Y77 HydrophobicContact CG2-CD2 3.81Å; I73-Y77 HydrophobicContact CG2-CE2 3.76Å; I73-Y77 WeakPolarHBondContact O-CD2 3.37Å; I73-Y77 PolarHBondContact O-N 3.01Å; W74-Y77 HydrophobicContact CE3-CG 4.42Å; W74-Y77 PolarHBondContact O-N 2.98Å; Y77-L79 PolarHBondContact O-N 3.19Å; Y77-V80 PolarHBondContact O-N 3.13Å; Y77-V80 VanDerWaalsContact O-N 3.12Å; Y77-I81 WeakPolarHBondContact O-CG1 3.49Å; Y77-I81 PolarHBondContact O-N 3.33Å; Y77-I81 VanDerWaalsContact O-N 3.13Å
78S92.9Very high93.7Very high0 Ų070.8 Ų70.80%035%0.345CS..Hα-helixtrans-60.8-25.5177.2-55.30000114W74 S75 R76 N85 L88 L89W74-S78 WeakPolarHBondContact O-CB 3.49Å; W74-S78 PolarHBondContact O-N 2.94Å; W74-S78 PolarHBondContact O-OG 3.12Å; S75-S78 WeakPolarHBondContact O-CB 3.46Å; S75-S78 PolarHBondContact O-N 3.3Å; R76-S78 PolarHBondContact O-N 3.21Å; S78-N85 PolarHBondContact O-N 3.31Å; S78-L88 WeakPolarHBondContact OG-CG 3.28Å; S78-L88 PolarHBondContact OG-O 2.91Å; S78-L89 VanDerWaalsContact CB-CA 3.49Å; S78-L89 WeakPolarHBondContact OG-CA 3.31Å; S78-L89 PolarHBondContact OG-N 3.1Å
79L92.5Very high93.6Very high73 Ų7372.8 Ų72.838%0.38236%0.355SS..Hα-helixtrans-94.5-18.7178.5-66.8176.3000113.5R76 Y77 K84 Y86 L89R76-L79 PolarHBondContact O-N 3.4Å; R76-L79 VanDerWaalsContact O-N 3.07Å; Y77-L79 PolarHBondContact O-N 3.19Å; L79-K84 HydrophobicContact CD2-CD 4.49Å; L79-Y86 HydrophobicContact CD2-CE1 4.31Å; L79-L89 HydrophobicContact CD1-CD1 4.37Å; L79-L89 HydrophobicContact CD1-CD2 4.46Å; L79-L89 HydrophobicContact CD2-CD2 3.92Å; L79-L89 HydrophobicContact CG-CD1 4.29Å; L79-L89 HydrophobicContact CG-CD2 4.29Å
80V93.5Very high93.5Very high85 Ų8572.6 Ų72.652%0.51535%0.351SS..Hα-helixtrans-83.3-32.2177.4175.90000111.1R76 Y77R76-V80 PolarHBondContact O-N 3.07Å; Y77-V80 PolarHBondContact O-N 3.13Å; Y77-V80 VanDerWaalsContact O-N 3.12Å
81I89.3Confident93.6Very high70 Ų7070.1 Ų70.136%0.35934%0.336SS..SBendtrans-63.6137.4176.1-66.3162.1000109.8Y77 P83 K84 L88Y77-I81 WeakPolarHBondContact O-CG1 3.49Å; Y77-I81 PolarHBondContact O-N 3.33Å; Y77-I81 VanDerWaalsContact O-N 3.13Å; I81-P83 CarbonylContact O-C 3.19Å; I81-K84 WeakPolarHBondContact O-CA 3.37Å; I81-K84 PolarHBondContact O-N 2.85Å; I81-L88 HydrophobicContact CD1-CD2 4.14Å
82I88.7Confident93.6Very high159 Ų15970.1 Ų70.182%0.81534%0.336SS*.SBendtrans-111.4127.5176.9-56.7175.6000108.6
83P88.4Confident93.6Very high51 Ų5167.1 Ų67.133%0.33133%0.325SS..SBendcis-68.2154.6-8.233.7-39.5000111.6P27 A28 I81 N85P27-P83 HydrophobicContact CB-CG 3.88Å; P27-P83 HydrophobicContact CG-CB 4Å; P27-P83 HydrophobicContact CG-CG 3.65Å; A28-P83 HydrophobicContact CB-CG 4.21Å; I81-P83 CarbonylContact O-C 3.19Å; P83-N85 PolarHBondContact O-N 3.01Å
84K89.9Confident93.6Very high110 Ų11066.6 Ų66.648%0.47832%0.319SS..  trans-58.9133.4178.8-64.4-177.4179.4177.80110.7L79 I81L79-K84 HydrophobicContact CD2-CD 4.49Å; I81-K84 WeakPolarHBondContact O-CA 3.37Å; I81-K84 PolarHBondContact O-N 2.85Å
85N91.9Very high93.7Very high10 Ų1061 Ų615%0.05330%0.298CS..  trans-110.994.4-179.4-171.2-21.3000110.7F34 S78 P83 N87 L88 L89F34-N85 PolarHBondContact O-ND2 3.45Å; S78-N85 PolarHBondContact O-N 3.31Å; P83-N85 PolarHBondContact O-N 3.01Å; N85-N87 VanDerWaalsContact C-N 3.31Å; N85-N87 PolarHBondContact O-N 3.23Å; N85-N87 PolarHBondContact OD1-N 3.05Å; N85-N87 VanDerWaalsContact OD1-N 3.16Å; N85-L88 HydrophobicContact CB-CB 3.9Å; N85-L88 PolarHBondContact O-N 3.41Å; N85-L88 PolarHBondContact OD1-N 3.35Å; N85-L89 PolarHBondContact O-N 3.08Å
86Y91.6Very high93.7Very high155 Ų15560.4 Ų60.461%0.60829%0.294SS*.Hα-helixtrans-67.6-27.8-179.8-65.7-70.2000113.6L79 L89 S90L79-Y86 HydrophobicContact CD2-CE1 4.31Å; Y86-L89 HydrophobicContact CD1-CD2 4.26Å; Y86-L89 PolarHBondContact O-N 3.14Å; Y86-S90 WeakPolarHBondContact O-CB 3.47Å; Y86-S90 PolarHBondContact O-N 2.77Å
87N93Very high93.9Very high35 Ų3557.2 Ų57.219%0.18729%0.289CS..Hα-helixtrans-67.6-43.4174.5-169.618.1000110.6F35 P38 T39 W42 N85 S90 V91F35-N87 PolarHBondContact O-ND2 3.49Å; F35-N87 VanDerWaalsContact O-ND2 3.14Å; P38-N87 HydrophobicContact CB-CB 4.29Å; T39-N87 PolarHBondContact OG1-ND2 3.2Å; W42-N87 PolarHBondContact NE1-OD1 3.04Å; N85-N87 VanDerWaalsContact C-N 3.31Å; N85-N87 PolarHBondContact O-N 3.23Å; N85-N87 PolarHBondContact OD1-N 3.05Å; N85-N87 VanDerWaalsContact OD1-N 3.16Å; N87-S90 PolarHBondContact O-N 3.1Å; N87-V91 PolarHBondContact O-N 3.24Å
88L94.6Very high94Very high32 Ų3252.8 Ų52.817%0.16827%0.273CS..Hα-helixtrans-63-40.7173.8-173.668.8000112P38 S78 I81 N85 V91 N92P38-L88 HydrophobicContact CB-CB 4.31Å; P38-L88 HydrophobicContact CB-CD1 4.32Å; P38-L88 HydrophobicContact CG-CB 3.89Å; P38-L88 HydrophobicContact CG-CD1 3.87Å; P38-L88 HydrophobicContact CG-CG 4.45Å; S78-L88 WeakPolarHBondContact OG-CG 3.28Å; S78-L88 PolarHBondContact OG-O 2.91Å; I81-L88 HydrophobicContact CD1-CD2 4.14Å; N85-L88 HydrophobicContact CB-CB 3.9Å; N85-L88 PolarHBondContact O-N 3.41Å; N85-L88 PolarHBondContact OD1-N 3.35Å; L88-V91 WeakPolarHBondContact O-CG1 3.47Å; L88-N92 WeakPolarHBondContact CD1-ND2 3.33Å; L88-N92 PolarHBondContact O-N 3.26Å; L88-N92 PolarHBondContact O-ND2 3.45Å
89L95.9Very high94.1Very high45 Ų4552.9 Ų52.924%0.23627%0.274CS..Hα-helixtrans-59-51.6172.9171.667.5000110.5S75 S78 L79 N85 Y86 V91 N92 A93S75-L89 VanDerWaalsContact O-CD1 3.27Å; S75-L89 WeakPolarHBondContact O-CD1 3.34Å; S78-L89 VanDerWaalsContact CB-CA 3.49Å; S78-L89 WeakPolarHBondContact OG-CA 3.31Å; S78-L89 PolarHBondContact OG-N 3.1Å; L79-L89 HydrophobicContact CD1-CD1 4.37Å; L79-L89 HydrophobicContact CD1-CD2 4.46Å; L79-L89 HydrophobicContact CD2-CD2 3.92Å; L79-L89 HydrophobicContact CG-CD1 4.29Å; L79-L89 HydrophobicContact CG-CD2 4.29Å; N85-L89 PolarHBondContact O-N 3.08Å; Y86-L89 HydrophobicContact CD1-CD2 4.26Å; Y86-L89 PolarHBondContact O-N 3.14Å; L89-V91 PolarHBondContact O-N 2.93Å; L89-N92 PolarHBondContact O-N 3.38Å; L89-A93 WeakPolarHBondContact O-CB 3.34Å; L89-A93 PolarHBondContact O-N 3.34Å
90S96.1Very high94.3Very high40 Ų4053.1 Ų53.128%0.2828%0.276SS..Hα-helixtrans-57.8-53.9-175.2-1690000110.7W42 Y86 N87 N92 A93 F94W42-S90 VanDerWaalsContact CZ2-OG 3.25Å; W42-S90 WeakPolarHBondContact CZ2-OG 3.34Å; Y86-S90 WeakPolarHBondContact O-CB 3.47Å; Y86-S90 PolarHBondContact O-N 2.77Å; N87-S90 PolarHBondContact O-N 3.1Å; S90-N92 VanDerWaalsContact C-N 3.31Å; S90-N92 PolarHBondContact O-N 3.4Å; S90-A93 WeakPolarHBondContact O-CB 3.19Å; S90-A93 PolarHBondContact O-N 2.88Å; S90-A93 VanDerWaalsContact O-N 3.12Å; S90-F94 VanDerWaalsContact O-CD2 3.28Å; S90-F94 WeakPolarHBondContact O-CD2 3.29Å; S90-F94 PolarHBondContact O-N 3.37Å
91V97.1Very high94.4Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-59.9-40-178.371.30000112.6P38 K41 W42 V45 N87 L88 L89 F94 V95P38-V91 HydrophobicContact CB-CG1 4.16Å; K41-V91 HydrophobicContact CB-CG1 4.35Å; K41-V91 HydrophobicContact CB-CG2 3.88Å; K41-V91 HydrophobicContact CD-CG1 4.01Å; K41-V91 HydrophobicContact CD-CG2 4.32Å; K41-V91 HydrophobicContact CG-CG1 4.36Å; K41-V91 HydrophobicContact CG-CG2 3.84Å; W42-V91 HydrophobicContact CD2-CB 4.36Å; W42-V91 HydrophobicContact CD2-CG2 4.17Å; W42-V91 HydrophobicContact CG-CB 4.43Å; W42-V91 HydrophobicContact CG-CG2 4.02Å; V45-V91 HydrophobicContact CG2-CG2 3.83Å; N87-V91 PolarHBondContact O-N 3.24Å; L88-V91 WeakPolarHBondContact O-CG1 3.47Å; L89-V91 PolarHBondContact O-N 2.93Å; V91-F94 PolarHBondContact O-N 3.15Å; V91-V95 VanDerWaalsContact O-CG2 3.26Å; V91-V95 WeakPolarHBondContact O-CG2 3.41Å; V91-V95 PolarHBondContact O-N 2.77Å
92N97.1Very high94.6Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-71.4-35.3178.7-73.8-66.4000112.4K41 G71 W74 L88 L89 S90 V95 A96K41-N92 PolarHBondContact NZ-OD1 2.86Å; G71-N92 CarbonylContact C-O 3.46Å; G71-N92 WeakPolarHBondContact CA-O 3.35Å; W74-N92 HydrophobicContact CB-CB 4Å; W74-N92 VanDerWaalsContact CB-OD1 3.25Å; W74-N92 WeakPolarHBondContact CB-OD1 3.15Å; L88-N92 WeakPolarHBondContact CD1-ND2 3.33Å; L88-N92 PolarHBondContact O-N 3.26Å; L88-N92 PolarHBondContact O-ND2 3.45Å; L89-N92 PolarHBondContact O-N 3.38Å; S90-N92 VanDerWaalsContact C-N 3.31Å; S90-N92 PolarHBondContact O-N 3.4Å; N92-V95 PolarHBondContact O-N 3.5Å; N92-A96 WeakPolarHBondContact O-CB 3.33Å; N92-A96 PolarHBondContact O-N 3.14Å
93A97.2Very high94.9Very high34 Ų3446.1 Ų46.128%0.28123%0.229SC..Hα-helixtrans-64.1-43.6174.100000110.8S75 L89 S90 A96 L97S75-A93 WeakPolarHBondContact OG-CA 3.23Å; S75-A93 PolarHBondContact OG-N 3.26Å; S75-A93 VanDerWaalsContact OG-N 3.14Å; L89-A93 WeakPolarHBondContact O-CB 3.34Å; L89-A93 PolarHBondContact O-N 3.34Å; S90-A93 WeakPolarHBondContact O-CB 3.19Å; S90-A93 PolarHBondContact O-N 2.88Å; S90-A93 VanDerWaalsContact O-N 3.12Å; A93-A96 WeakPolarHBondContact O-CB 3.29Å; A93-A96 PolarHBondContact O-N 3.25Å; A93-L97 VanDerWaalsContact O-CG 3.3Å; A93-L97 WeakPolarHBondContact O-CG 3.34Å; A93-L97 PolarHBondContact O-N 3.28Å
94F97.3Very high95.3Very high85 Ų8545.9 Ų45.937%0.37323%0.231SC..Hα-helixtrans-66.9-40.6176.2-84.1-87.2000112.6W42 V45 S90 V91 A96 L97 T98W42-F94 HydrophobicContact CH2-CB 4.36Å; W42-F94 AromaticContact CH2-CD2 3.34Å; W42-F94 HydrophobicContact CH2-CD2 3.34Å; W42-F94 AromaticContact CH2-CE2 3.68Å; W42-F94 HydrophobicContact CH2-CE2 3.68Å; W42-F94 AromaticContact CH2-CG 3.84Å; W42-F94 HydrophobicContact CH2-CG 3.84Å; W42-F94 HydrophobicContact CH2-CZ 4.4Å; W42-F94 HydrophobicContact CZ2-CD2 4.27Å; W42-F94 HydrophobicContact CZ3-CB 4.16Å; W42-F94 HydrophobicContact CZ3-CD1 4.36Å; W42-F94 AromaticContact CZ3-CD2 3.88Å; W42-F94 HydrophobicContact CZ3-CD2 3.88Å; W42-F94 HydrophobicContact CZ3-CE2 4.39Å; W42-F94 AromaticContact CZ3-CG 3.87Å; W42-F94 HydrophobicContact CZ3-CG 3.87Å; V45-F94 HydrophobicContact CB-CB 4.43Å; V45-F94 HydrophobicContact CG1-CB 3.72Å; V45-F94 HydrophobicContact CG1-CD1 4.4Å; V45-F94 HydrophobicContact CG1-CG 4.36Å; V45-F94 HydrophobicContact CG2-CB 3.77Å; S90-F94 VanDerWaalsContact O-CD2 3.28Å; S90-F94 WeakPolarHBondContact O-CD2 3.29Å; S90-F94 PolarHBondContact O-N 3.37Å; V91-F94 PolarHBondContact O-N 3.15Å; F94-A96 VanDerWaalsContact C-N 3.27Å; F94-A96 PolarHBondContact O-N 3.27Å; F94-L97 PolarHBondContact O-N 3.24Å; F94-T98 WeakPolarHBondContact O-CG2 3.19Å; F94-T98 PolarHBondContact O-N 2.93Å; F94-T98 PolarHBondContact O-OG1 3.12Å
95V97.1Very high95.5Very high1 Ų143.1 Ų43.11%0.00622%0.218CC..Hα-helixtrans-59.1-41.3172.3170.30000111L44 V45 L67 V91 N92 T98 G99L44-V95 HydrophobicContact CD2-CG1 4.28Å; L44-V95 HydrophobicContact CD2-CG2 3.87Å; L44-V95 HydrophobicContact CG-CG2 4.24Å; V45-V95 HydrophobicContact CG2-CG2 3.61Å; L67-V95 HydrophobicContact CB-CG1 4.22Å; L67-V95 HydrophobicContact CD2-CG1 4.14Å; V91-V95 VanDerWaalsContact O-CG2 3.26Å; V91-V95 WeakPolarHBondContact O-CG2 3.41Å; V91-V95 PolarHBondContact O-N 2.77Å; N92-V95 PolarHBondContact O-N 3.5Å; V95-T98 PolarHBondContact O-OG1 3.43Å; V95-G99 PolarHBondContact O-N 2.78Å
96A97Very high95.6Very high3 Ų343.3 Ų43.33%0.02522%0.219CC..Hα-helixtrans-61.6-47.9175.100000111.4L72 N92 A93 F94 G99 L100L72-A96 HydrophobicContact CD2-CB 3.98Å; L72-A96 HydrophobicContact CG-CB 3.96Å; N92-A96 WeakPolarHBondContact O-CB 3.33Å; N92-A96 PolarHBondContact O-N 3.14Å; A93-A96 WeakPolarHBondContact O-CB 3.29Å; A93-A96 PolarHBondContact O-N 3.25Å; F94-A96 VanDerWaalsContact C-N 3.27Å; F94-A96 PolarHBondContact O-N 3.27Å; A96-G99 PolarHBondContact O-N 3.21Å; A96-L100 WeakPolarHBondContact O-CB 3.48Å; A96-L100 VanDerWaalsContact O-CG 3.24Å; A96-L100 WeakPolarHBondContact O-CG 3.28Å; A96-L100 PolarHBondContact O-N 3.19Å
97L96.8Very high95.7Very high104 Ų10438.5 Ų38.555%0.54521%0.211SC..Hα-helixtrans-61.7-45.8180-73170.9000112.1A93 F94 G99 L100 Y101A93-L97 VanDerWaalsContact O-CG 3.3Å; A93-L97 WeakPolarHBondContact O-CG 3.34Å; A93-L97 PolarHBondContact O-N 3.28Å; F94-L97 PolarHBondContact O-N 3.24Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 3.17Å; L97-L100 PolarHBondContact O-N 2.91Å; L97-Y101 WeakPolarHBondContact O-CB 3.42Å; L97-Y101 PolarHBondContact O-N 3.43Å
98T95.8Very high95.8Very high16 Ų1645.9 Ų45.910%0.09824%0.237CC..Hα-helixtrans-64.6-40.2177.354.90000111.4L49 F94 V95 Y101 Q102L49-T98 HydrophobicContact CD2-CG2 3.67Å; L49-T98 HydrophobicContact CG-CG2 4.01Å; F94-T98 WeakPolarHBondContact O-CG2 3.19Å; F94-T98 PolarHBondContact O-N 2.93Å; F94-T98 PolarHBondContact O-OG1 3.12Å; V95-T98 PolarHBondContact O-OG1 3.43Å; T98-Y101 PolarHBondContact O-N 2.94Å; T98-Q102 WeakPolarHBondContact O-CG 3.29Å; T98-Q102 PolarHBondContact O-N 3.13Å; T98-Q102 VanDerWaalsContact O-N 3.09Å
99G95.3Very high95.7Very high2 Ų248.8 Ų48.82%0.02125%0.246CC..Hα-helixtrans-63-49175.100000112.4V95 A96 L97 Y101 Q102 L103V95-G99 PolarHBondContact O-N 2.78Å; A96-G99 PolarHBondContact O-N 3.21Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 3.17Å; G99-Y101 VanDerWaalsContact C-N 3.3Å; G99-Y101 PolarHBondContact O-N 2.84Å; G99-Q102 PolarHBondContact O-N 2.78Å; G99-L103 WeakPolarHBondContact O-CG 3.39Å; G99-L103 PolarHBondContact O-N 2.94Å
100L96.5Very high95.5Very high79 Ų7951.6 Ų51.641%0.41426%0.258SS..Hα-helixtrans-61.2-37.8177.1-72.6171000112.2A68 A96 L97 L103 A104A68-L100 HydrophobicContact CB-CD2 4.06Å; A68-L100 HydrophobicContact CB-CG 4.05Å; A96-L100 WeakPolarHBondContact O-CB 3.48Å; A96-L100 VanDerWaalsContact O-CG 3.24Å; A96-L100 WeakPolarHBondContact O-CG 3.28Å; A96-L100 PolarHBondContact O-N 3.19Å; L97-L100 PolarHBondContact O-N 2.91Å; L100-L103 HydrophobicContact CD2-CD1 4.39Å; L100-L103 PolarHBondContact O-N 3.18Å; L100-A104 WeakPolarHBondContact O-CB 3.36Å; L100-A104 PolarHBondContact O-N 3.06Å
101Y95.7Very high95.3Very high117 Ų11754.6 Ų54.646%0.45928%0.279SS..Hα-helixtrans-63.9-44.9175.5179.9-96.2000111.9I52 L97 T98 G99 L103 A104 R105I52-Y101 HydrophobicContact CB-CE1 4.38Å; I52-Y101 HydrophobicContact CD1-CE1 4.4Å; I52-Y101 HydrophobicContact CG1-CD1 4.14Å; I52-Y101 HydrophobicContact CG1-CE1 3.97Å; I52-Y101 HydrophobicContact CG2-CE1 3.82Å; L97-Y101 WeakPolarHBondContact O-CB 3.42Å; L97-Y101 PolarHBondContact O-N 3.43Å; T98-Y101 PolarHBondContact O-N 2.94Å; G99-Y101 VanDerWaalsContact C-N 3.3Å; G99-Y101 PolarHBondContact O-N 2.84Å; Y101-L103 VanDerWaalsContact C-N 3.33Å; Y101-L103 PolarHBondContact O-N 2.63Å; Y101-A104 WeakPolarHBondContact O-CB 3.27Å; Y101-A104 PolarHBondContact O-N 3.37Å; Y101-R105 VanDerWaalsContact CE1-CD 3.42Å; Y101-R105 HydrophobicContact CE1-CG 4.09Å; Y101-R105 PolarHBondContact O-N 2.98Å
102Q94.3Very high94.9Very high13 Ų1359.7 Ų59.76%0.06131%0.314CS..Hα-helixtrans-63.5-39.8175.1-66.6-7024.100111.6D51 V59 T98 G99 A104 R105 I106D51-Q102 PolarHBondContact O-NE2 2.92Å; V59-Q102 HydrophobicContact CG1-CB 4.11Å; V59-Q102 HydrophobicContact CG1-CG 4.41Å; T98-Q102 WeakPolarHBondContact O-CG 3.29Å; T98-Q102 PolarHBondContact O-N 3.13Å; T98-Q102 VanDerWaalsContact O-N 3.09Å; G99-Q102 PolarHBondContact O-N 2.78Å; Q102-A104 VanDerWaalsContact C-N 3.34Å; Q102-A104 PolarHBondContact O-N 3.5Å; Q102-R105 WeakPolarHBondContact O-CB 3.36Å; Q102-R105 PolarHBondContact O-N 3.31Å; Q102-R105 VanDerWaalsContact O-N 3.17Å; Q102-I106 WeakPolarHBondContact O-CG1 3.45Å; Q102-I106 PolarHBondContact O-N 2.95Å
103L95.3Very high94Very high36 Ų3669.5 Ų69.519%0.18836%0.357CS..Hα-helixtrans-60.8-41.8173.2-68.6176.2000112.6L61 T65 A68 G99 L100 Y101 R105 I106 A107L61-L103 HydrophobicContact CD1-CD2 3.57Å; T65-L103 VanDerWaalsContact OG1-CD2 3.29Å; T65-L103 WeakPolarHBondContact OG1-CD2 3.18Å; A68-L103 HydrophobicContact CB-CD1 3.94Å; G99-L103 WeakPolarHBondContact O-CG 3.39Å; G99-L103 PolarHBondContact O-N 2.94Å; L100-L103 HydrophobicContact CD2-CD1 4.39Å; L100-L103 PolarHBondContact O-N 3.18Å; Y101-L103 VanDerWaalsContact C-N 3.33Å; Y101-L103 PolarHBondContact O-N 2.63Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.17Å; L103-I106 PolarHBondContact O-N 3.04Å; L103-A107 WeakPolarHBondContact O-CB 3.44Å; L103-A107 PolarHBondContact O-N 3.44Å
104A95.4Very high93.9Very high46 Ų4671.3 Ų71.338%0.3836%0.361SS..Hα-helixtrans-62.4-36.8175.600000111.9L100 Y101 Q102 R108L100-A104 WeakPolarHBondContact O-CB 3.36Å; L100-A104 PolarHBondContact O-N 3.06Å; Y101-A104 WeakPolarHBondContact O-CB 3.27Å; Y101-A104 PolarHBondContact O-N 3.37Å; Q102-A104 VanDerWaalsContact C-N 3.34Å; Q102-A104 PolarHBondContact O-N 3.5Å; A104-R108 VanDerWaalsContact O-CG 3.32Å; A104-R108 WeakPolarHBondContact O-CG 3.31Å; A104-R108 PolarHBondContact O-N 3.19Å; A104-R108 VanDerWaalsContact O-N 3.11Å
105R94.8Very high93.7Very high53 Ų5370.5 Ų70.520%0.236%0.36CS..Hα-helixtrans-65.2-45.6173.6-69.7-179.766-139.88.2111.9I52 R54 V56 Y101 Q102 L103 R108 Y109I52-R105 PolarHBondContact O-NH1 3.26Å; I52-R105 PolarHBondContact O-NH2 3.44Å; R54-R105 PolarHBondContact O-NH1 3.3Å; R54-R105 VanDerWaalsContact O-NH1 3.08Å; R54-R105 PolarHBondContact O-NH2 2.87Å; V56-R105 HydrophobicContact CG2-CB 4.17Å; Y101-R105 VanDerWaalsContact CE1-CD 3.42Å; Y101-R105 HydrophobicContact CE1-CG 4.09Å; Y101-R105 PolarHBondContact O-N 2.98Å; Q102-R105 WeakPolarHBondContact O-CB 3.36Å; Q102-R105 PolarHBondContact O-N 3.31Å; Q102-R105 VanDerWaalsContact O-N 3.17Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.17Å; R105-R108 PolarHBondContact O-N 3.45Å; R105-Y109 PolarHBondContact O-N 3.41Å
106I94.2Very high93.5Very high13 Ų1374.4 Ų74.47%0.06738%0.38CS..Hα-helixtrans-61.7-46.7177.2-63.6167.2000110.4V56 V59 L61 Q102 L103 R108 Y109 E110V56-I106 HydrophobicContact CG2-CB 4.34Å; V56-I106 HydrophobicContact CG2-CG1 3.81Å; V59-I106 HydrophobicContact CB-CD1 4.37Å; V59-I106 HydrophobicContact CG1-CD1 3.96Å; V59-I106 HydrophobicContact CG1-CG1 4.46Å; L61-I106 HydrophobicContact CB-CD1 4.22Å; L61-I106 HydrophobicContact CD1-CD1 4.29Å; L61-I106 HydrophobicContact CD1-CG2 4.1Å; Q102-I106 WeakPolarHBondContact O-CG1 3.45Å; Q102-I106 PolarHBondContact O-N 2.95Å; L103-I106 PolarHBondContact O-N 3.04Å; I106-R108 VanDerWaalsContact C-N 3.3Å; I106-R108 PolarHBondContact O-N 2.87Å; I106-Y109 WeakPolarHBondContact O-CB 3.43Å; I106-Y109 PolarHBondContact O-N 3.47Å; I106-Y109 VanDerWaalsContact O-N 3.11Å; I106-E110 HydrophobicContact CG2-CG 4.27Å; I106-E110 WeakPolarHBondContact O-CG 3.29Å; I106-E110 PolarHBondContact O-N 3.42Å
107A94Very high93.3Very high55 Ų5578.6 Ų78.646%0.45540%0.401SS..Hα-helixtrans-59.5-40.8179.400000112.3L103 S111L103-A107 WeakPolarHBondContact O-CB 3.44Å; L103-A107 PolarHBondContact O-N 3.44Å; A107-S111 WeakPolarHBondContact O-CB 3.5Å; A107-S111 PolarHBondContact O-N 3.29Å; A107-S111 PolarHBondContact O-OG 3.16Å
108R94.1Very high93.1Very high190 Ų19077 Ų7772%0.71739%0.392SS*.Hα-helixtrans-66.3-39.1175-74.7178.5-177.8-178.90.8112.7A104 R105 I106 S111 S112A104-R108 VanDerWaalsContact O-CG 3.32Å; A104-R108 WeakPolarHBondContact O-CG 3.31Å; A104-R108 PolarHBondContact O-N 3.19Å; A104-R108 VanDerWaalsContact O-N 3.11Å; R105-R108 PolarHBondContact O-N 3.45Å; I106-R108 VanDerWaalsContact C-N 3.3Å; I106-R108 PolarHBondContact O-N 2.87Å; R108-S111 PolarHBondContact O-N 2.92Å; R108-S112 PolarHBondContact O-N 3.28Å; R108-S112 PolarHBondContact O-OG 3.42Å
109Y93.4Very high92.9Very high92 Ų9281.1 Ų81.136%0.36141%0.411SS..Hα-helixtrans-64.6-49.2177.5-179.4-108.6000111.7V56 R105 I106 S111 S112 K113V56-Y109 HydrophobicContact CB-CG 4.43Å; V56-Y109 HydrophobicContact CG1-CD1 3.86Å; V56-Y109 HydrophobicContact CG1-CD2 3.27Å; V56-Y109 HydrophobicContact CG1-CE1 4.31Å; V56-Y109 HydrophobicContact CG1-CE2 3.8Å; V56-Y109 HydrophobicContact CG1-CG 3.29Å; V56-Y109 HydrophobicContact CG2-CG 4.32Å; R105-Y109 PolarHBondContact O-N 3.41Å; I106-Y109 WeakPolarHBondContact O-CB 3.43Å; I106-Y109 PolarHBondContact O-N 3.47Å; I106-Y109 VanDerWaalsContact O-N 3.11Å; Y109-S111 VanDerWaalsContact C-N 3.27Å; Y109-S111 PolarHBondContact O-N 2.96Å; Y109-S112 PolarHBondContact O-N 3.29Å; Y109-S112 VanDerWaalsContact O-N 3.11Å; Y109-K113 PolarHBondContact O-N 2.96Å
110E91.1Very high92.7Very high105 Ų10586.7 Ų86.749%0.49144%0.439SS..Hα-helixtrans-64-31.6177.3-66.5-61145.700112.4I106 S112I106-E110 HydrophobicContact CG2-CG 4.27Å; I106-E110 WeakPolarHBondContact O-CG 3.29Å; I106-E110 PolarHBondContact O-N 3.42Å; E110-S112 VanDerWaalsContact C-N 3.3Å; E110-S112 PolarHBondContact O-N 3.24Å
111S91Very high92.5Very high103 Ų10387.3 Ų87.372%0.7244%0.441SS*.Hα-helixtrans-75.3-17.9176.3-57.40000113.9A107 R108 Y109A107-S111 WeakPolarHBondContact O-CB 3.5Å; A107-S111 PolarHBondContact O-N 3.29Å; A107-S111 PolarHBondContact O-OG 3.16Å; R108-S111 PolarHBondContact O-N 2.92Å; Y109-S111 VanDerWaalsContact C-N 3.27Å; Y109-S111 PolarHBondContact O-N 2.96Å
112S89.2Confident92.2Very high106 Ų10684.8 Ų84.874%0.74144%0.44SS*.THydrogen-bonded Turntrans-96.8-2.3-179.6-54.10000112.8R108 Y109 E110R108-S112 PolarHBondContact O-N 3.28Å; R108-S112 PolarHBondContact O-OG 3.42Å; Y109-S112 PolarHBondContact O-N 3.29Å; Y109-S112 VanDerWaalsContact O-N 3.11Å; E110-S112 VanDerWaalsContact C-N 3.3Å; E110-S112 PolarHBondContact O-N 3.24Å
113K79.6Confident92Very high206 Ų20691.4 Ų91.490%0.89647%0.474SS*.  trans-92.80179.9-173.3-178.9178.8-175.90110.4Y109Y109-K113 PolarHBondContact O-N 2.96Å

Retrieved 113 of 113 residues in 25.7 ms (Link to these results)

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